NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629806 | 5v4c | 30270 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 H1 ASN 1 -7.754 -4.220 4.658 2 H2 ASN 1 H2 ASN 1 -9.211 -3.447 4.690 3 H3 ASN 1 H3 ASN 1 -8.975 -4.800 5.603 4 HA ASN 1 HA ASN 1 -8.767 -6.173 3.704 5 HB2 ASN 1 HB3 ASN 1 -11.009 -5.514 4.782 6 HB3 ASN 1 HB2 ASN 1 -11.241 -4.450 3.391 7 HD21 ASN 1 HD21 ASN 1 -10.893 -7.896 4.354 8 HD22 ASN 1 HD22 ASN 1 -11.726 -8.538 2.957 9 H VAL 2 H VAL 2 -8.958 -6.471 1.425 10 HA VAL 2 HA VAL 2 -7.460 -4.568 -0.114 11 HB VAL 2 HB VAL 2 -8.829 -7.084 -1.052 12 HG11 VAL 2 HG11 VAL 2 -8.264 -5.574 -2.958 13 HG12 VAL 2 HG12 VAL 2 -7.375 -7.116 -2.981 14 HG13 VAL 2 HG13 VAL 2 -6.559 -5.625 -2.450 15 HG21 VAL 2 HG21 VAL 2 -7.103 -7.514 0.701 16 HG22 VAL 2 HG22 VAL 2 -6.708 -8.230 -0.880 17 HG23 VAL 2 HG23 VAL 2 -5.892 -6.740 -0.348 18 H HIS 3 H HIS 3 -10.941 -5.483 -0.386 19 HA HIS 3 HA HIS 3 -11.548 -3.814 -2.601 20 HB2 HIS 3 HB3 HIS 3 -12.825 -5.804 -1.482 21 HB3 HIS 3 HB2 HIS 3 -13.619 -4.524 -0.542 22 HD1 HIS 3 HD1 HIS 3 -13.056 -5.472 -4.320 23 HD2 HIS 3 HD2 HIS 3 -15.601 -3.247 -1.676 24 HE1 HIS 3 HE1 HIS 3 -15.076 -4.519 -5.603 25 H THR 4 H THR 4 -11.942 -3.074 0.870 26 HA THR 4 HA THR 4 -13.002 -0.409 0.356 27 HB THR 4 HB THR 4 -12.874 -0.239 2.888 28 HG1 THR 4 HG1 THR 4 -12.578 -2.157 4.031 29 HG21 THR 4 HG21 THR 4 -14.778 -1.729 3.339 30 HG22 THR 4 HG22 THR 4 -14.991 -0.814 1.827 31 HG23 THR 4 HG23 THR 4 -14.521 -2.530 1.771 32 H PHE 5 H PHE 5 -10.140 -1.421 2.300 33 HA PHE 5 HA PHE 5 -8.858 1.187 1.982 34 HB2 PHE 5 HB3 PHE 5 -7.870 -1.389 3.269 35 HB3 PHE 5 HB2 PHE 5 -6.994 0.143 3.282 36 HD1 PHE 5 HD1 PHE 5 -7.329 1.653 5.099 37 HD2 PHE 5 HD2 PHE 5 -10.180 -1.493 4.385 38 HE1 PHE 5 HE1 PHE 5 -8.409 2.128 7.278 39 HE2 PHE 5 HE2 PHE 5 -11.280 -0.994 6.567 40 HZ PHE 5 HZ PHE 5 -10.375 0.812 8.011 41 H ARG 6 H ARG 6 -7.468 1.815 0.475 42 HA ARG 6 HA ARG 6 -6.597 -0.034 -1.635 43 HB2 ARG 6 HB2 ARG 6 -7.499 2.510 -1.657 44 HB3 ARG 6 HB3 ARG 6 -5.762 2.829 -1.649 45 HG2 ARG 6 HG3 ARG 6 -7.177 1.092 -3.706 46 HG3 ARG 6 HG2 ARG 6 -6.834 2.816 -3.916 47 HD2 ARG 6 HD3 ARG 6 -4.396 2.347 -3.741 48 HD3 ARG 6 HD2 ARG 6 -4.756 0.617 -3.578 49 HE ARG 6 HE ARG 6 -5.282 0.495 -5.871 50 HH11 ARG 6 HH11 ARG 6 -4.633 3.936 -5.049 51 HH12 ARG 6 HH12 ARG 6 -4.520 4.381 -6.737 52 HH21 ARG 6 HH21 ARG 6 -5.109 1.178 -7.962 53 HH22 ARG 6 HH22 ARG 6 -4.784 2.853 -8.347 54 H GLY 7 H GLY 7 -4.785 2.521 0.089 55 HA2 GLY 7 HA3 GLY 7 -2.814 2.253 1.409 56 HA3 GLY 7 HA2 GLY 7 -2.584 0.635 0.726 57 H ILE 8 H ILE 8 -2.753 4.021 -0.448 58 HA ILE 8 HA ILE 8 -0.860 3.631 -2.608 59 HB ILE 8 HB ILE 8 -1.982 6.148 -1.347 60 HG12 ILE 8 HG13 ILE 8 -3.278 5.998 -3.736 61 HG13 ILE 8 HG12 ILE 8 -3.144 4.282 -3.333 62 HG21 ILE 8 HG21 ILE 8 0.085 6.580 -2.649 63 HG22 ILE 8 HG22 ILE 8 -0.706 5.892 -4.088 64 HG23 ILE 8 HG23 ILE 8 -1.356 7.369 -3.336 65 HD11 ILE 8 HD11 ILE 8 -5.290 5.203 -2.566 66 HD12 ILE 8 HD12 ILE 8 -4.432 6.407 -1.576 67 HD13 ILE 8 HD13 ILE 8 -4.298 4.676 -1.186 68 H ASN 9 H ASN 9 -0.664 5.550 0.414 69 HA ASN 9 HA ASN 9 2.142 6.017 0.388 70 HB2 ASN 9 HB2 ASN 9 0.248 7.205 1.624 71 HB3 ASN 9 HB3 ASN 9 0.435 5.971 2.870 72 HD21 ASN 9 HD21 ASN 9 2.391 8.777 4.183 73 HD22 ASN 9 HD22 ASN 9 0.727 8.262 4.019 74 H GLY 10 H GLY 10 0.308 3.481 2.175 75 HA2 GLY 10 HA2 GLY 10 2.398 2.287 3.630 76 HA3 GLY 10 HA3 GLY 10 0.974 1.426 3.024 77 H HIS 11 H HIS 11 1.333 1.327 0.311 78 HA HIS 11 HA HIS 11 3.382 -0.652 -0.101 79 HB2 HIS 11 HB3 HIS 11 1.416 0.844 -1.836 80 HB3 HIS 11 HB2 HIS 11 2.690 -0.121 -2.598 81 HD1 HIS 11 HD1 HIS 11 2.108 -2.762 -2.871 82 HD2 HIS 11 HD2 HIS 11 -0.180 -0.486 -0.068 83 HE1 HIS 11 HE1 HIS 11 0.155 -4.177 -1.952 84 H ASN 12 H ASN 12 3.284 2.882 -0.872 85 HA ASN 12 HA ASN 12 5.605 3.018 -2.492 86 HB2 ASN 12 HB3 ASN 12 3.822 4.753 -2.205 87 HB3 ASN 12 HB2 ASN 12 4.531 5.163 -0.638 88 HD21 ASN 12 HD21 ASN 12 6.303 6.512 -4.121 89 HD22 ASN 12 HD22 ASN 12 5.077 5.265 -4.178 90 H SER 13 H SER 13 5.485 2.792 1.072 91 HA SER 13 HA SER 13 8.429 3.141 1.184 92 HB2 SER 13 HB3 SER 13 6.240 3.773 3.119 93 HB3 SER 13 HB2 SER 13 7.809 3.265 3.782 94 HG SER 13 HG SER 13 7.690 5.551 3.436 95 H SER 14 H SER 14 5.861 0.794 2.331 96 HA SER 14 HA SER 14 7.856 -0.941 3.457 97 HB2 SER 14 HB3 SER 14 5.564 -0.920 4.287 98 HB3 SER 14 HB2 SER 14 5.036 -1.730 2.796 99 HG SER 14 HG SER 14 5.469 -3.220 4.510 100 H SER 15 H SER 15 6.193 -1.138 0.262 101 HA SER 15 HA SER 15 7.677 -3.469 -0.579 102 HB2 SER 15 HB3 SER 15 5.498 -2.604 -1.539 103 HB3 SER 15 HB2 SER 15 6.433 -1.324 -2.341 104 HG SER 15 HG SER 15 6.107 -3.168 -3.698 105 H SER 16 H SER 16 8.779 -0.151 -0.223 106 HA SER 16 HA SER 16 10.997 -0.490 -2.171 107 HB2 SER 16 HB3 SER 16 10.091 1.923 -0.540 108 HB3 SER 16 HB2 SER 16 11.475 1.912 -1.654 109 HG SER 16 HG SER 16 9.541 2.703 -2.647 110 H LEU 17 H LEU 17 12.498 -1.832 -1.309 111 HA LEU 17 HA LEU 17 13.220 -1.805 1.532 112 HB2 LEU 17 HB2 LEU 17 14.029 -3.346 -0.928 113 HB3 LEU 17 HB3 LEU 17 14.977 -3.494 0.554 114 HG LEU 17 HG LEU 17 13.351 -5.299 0.164 115 HD11 LEU 17 HD11 LEU 17 14.214 -4.764 2.421 116 HD12 LEU 17 HD12 LEU 17 12.642 -5.599 2.412 117 HD13 LEU 17 HD13 LEU 17 12.718 -3.851 2.734 118 HD21 LEU 17 HD21 LEU 17 11.439 -4.052 -0.791 119 HD22 LEU 17 HD22 LEU 17 11.080 -3.430 0.838 120 HD23 LEU 17 HD23 LEU 17 11.004 -5.179 0.516 Start of MODEL 2 1 H1 ASN 1 H1 ASN 1 -8.927 -5.132 4.612 2 H2 ASN 1 H2 ASN 1 -10.339 -4.284 4.521 3 H3 ASN 1 H3 ASN 1 -10.331 -5.807 5.155 4 HA ASN 1 HA ASN 1 -9.777 -6.781 3.086 5 HB2 ASN 1 HB3 ASN 1 -12.169 -6.156 3.855 6 HB3 ASN 1 HB2 ASN 1 -12.082 -4.860 2.655 7 HD21 ASN 1 HD21 ASN 1 -13.004 -5.331 0.705 8 HD22 ASN 1 HD22 ASN 1 -13.172 -6.937 0.034 9 H VAL 2 H VAL 2 -9.624 -6.567 0.759 10 HA VAL 2 HA VAL 2 -7.712 -4.595 -0.055 11 HB VAL 2 HB VAL 2 -9.167 -6.616 -1.757 12 HG11 VAL 2 HG21 VAL 2 -8.127 -4.819 -3.142 13 HG12 VAL 2 HG22 VAL 2 -6.548 -5.228 -2.428 14 HG13 VAL 2 HG23 VAL 2 -7.418 -6.430 -3.413 15 HG21 VAL 2 HG11 VAL 2 -7.820 -7.670 0.063 16 HG22 VAL 2 HG12 VAL 2 -6.372 -6.865 -0.588 17 HG23 VAL 2 HG13 VAL 2 -7.242 -8.067 -1.573 18 H HIS 3 H HIS 3 -11.188 -4.895 -0.969 19 HA HIS 3 HA HIS 3 -11.273 -2.692 -2.756 20 HB2 HIS 3 HB3 HIS 3 -12.944 -4.652 -2.272 21 HB3 HIS 3 HB2 HIS 3 -13.676 -3.493 -1.143 22 HD1 HIS 3 HD1 HIS 3 -12.809 -3.763 -4.964 23 HD2 HIS 3 HD2 HIS 3 -15.190 -1.582 -2.135 24 HE1 HIS 3 HE1 HIS 3 -14.403 -2.149 -6.184 25 H THR 4 H THR 4 -12.034 -2.724 0.737 26 HA THR 4 HA THR 4 -12.661 0.093 0.890 27 HB THR 4 HB THR 4 -12.555 -0.359 3.387 28 HG1 THR 4 HG1 THR 4 -12.287 -3.068 2.591 29 HG21 THR 4 HG21 THR 4 -14.612 -1.703 3.502 30 HG22 THR 4 HG22 THR 4 -14.423 -2.136 1.786 31 HG23 THR 4 HG23 THR 4 -14.710 -0.441 2.250 32 H PHE 5 H PHE 5 -9.989 -1.680 2.530 33 HA PHE 5 HA PHE 5 -8.296 0.738 2.545 34 HB2 PHE 5 HB3 PHE 5 -7.713 -2.053 3.609 35 HB3 PHE 5 HB2 PHE 5 -6.687 -0.633 3.809 36 HD1 PHE 5 HD1 PHE 5 -10.027 -2.068 4.761 37 HD2 PHE 5 HD2 PHE 5 -6.924 0.800 5.683 38 HE1 PHE 5 HE1 PHE 5 -11.127 -1.598 6.947 39 HE2 PHE 5 HE2 PHE 5 -8.020 1.235 7.863 40 HZ PHE 5 HZ PHE 5 -10.147 0.082 8.471 41 H ARG 6 H ARG 6 -7.091 1.221 0.881 42 HA ARG 6 HA ARG 6 -6.298 -0.793 -1.130 43 HB2 ARG 6 HB3 ARG 6 -7.278 1.815 -1.213 44 HB3 ARG 6 HB2 ARG 6 -5.562 2.013 -1.587 45 HG2 ARG 6 HG2 ARG 6 -6.598 1.820 -3.680 46 HG3 ARG 6 HG3 ARG 6 -5.883 0.226 -3.394 47 HD2 ARG 6 HD2 ARG 6 -8.113 -0.653 -2.736 48 HD3 ARG 6 HD3 ARG 6 -8.827 0.950 -3.017 49 HE ARG 6 HE ARG 6 -7.415 0.054 -5.368 50 HH11 ARG 6 HH11 ARG 6 -11.303 -1.063 -5.111 51 HH12 ARG 6 HH12 ARG 6 -10.511 -0.537 -3.642 52 HH21 ARG 6 HH21 ARG 6 -10.198 -1.114 -7.055 53 HH22 ARG 6 HH22 ARG 6 -8.520 -0.631 -7.155 54 H GLY 7 H GLY 7 -4.560 2.093 0.049 55 HA2 GLY 7 HA3 GLY 7 -2.519 2.004 1.394 56 HA3 GLY 7 HA2 GLY 7 -2.158 0.420 0.680 57 H ILE 8 H ILE 8 -2.732 3.816 -0.313 58 HA ILE 8 HA ILE 8 -1.120 3.639 -2.720 59 HB ILE 8 HB ILE 8 -2.245 6.024 -1.229 60 HG12 ILE 8 HG13 ILE 8 -3.833 5.862 -3.422 61 HG13 ILE 8 HG12 ILE 8 -3.507 4.145 -3.153 62 HG21 ILE 8 HG21 ILE 8 -0.398 6.644 -2.764 63 HG22 ILE 8 HG22 ILE 8 -1.314 5.934 -4.117 64 HG23 ILE 8 HG23 ILE 8 -1.966 7.339 -3.240 65 HD11 ILE 8 HD11 ILE 8 -5.607 4.825 -2.071 66 HD12 ILE 8 HD12 ILE 8 -4.407 4.311 -0.860 67 HD13 ILE 8 HD13 ILE 8 -4.732 6.043 -1.112 68 H ASN 9 H ASN 9 -0.680 5.488 0.311 69 HA ASN 9 HA ASN 9 2.142 5.956 -0.064 70 HB2 ASN 9 HB2 ASN 9 0.371 7.333 1.187 71 HB3 ASN 9 HB3 ASN 9 0.667 6.246 2.545 72 HD21 ASN 9 HD21 ASN 9 2.775 9.140 3.319 73 HD22 ASN 9 HD22 ASN 9 1.096 8.653 3.375 74 H GLY 10 H GLY 10 0.364 3.674 2.072 75 HA2 GLY 10 HA2 GLY 10 2.458 2.579 3.570 76 HA3 GLY 10 HA3 GLY 10 1.020 1.682 3.062 77 H HIS 11 H HIS 11 1.315 1.243 0.411 78 HA HIS 11 HA HIS 11 3.400 -0.736 0.193 79 HB2 HIS 11 HB3 HIS 11 1.429 0.495 -1.760 80 HB3 HIS 11 HB2 HIS 11 2.618 -0.709 -2.270 81 HD1 HIS 11 HD1 HIS 11 -0.534 -0.469 0.077 82 HD2 HIS 11 HD2 HIS 11 2.104 -3.211 -1.884 83 HE1 HIS 11 HE1 HIS 11 -1.492 -2.854 0.178 84 H ASN 12 H ASN 12 3.168 2.661 -1.043 85 HA ASN 12 HA ASN 12 5.433 2.626 -2.749 86 HB2 ASN 12 HB3 ASN 12 3.609 4.347 -2.623 87 HB3 ASN 12 HB2 ASN 12 4.384 4.988 -1.168 88 HD21 ASN 12 HD21 ASN 12 6.711 6.986 -2.935 89 HD22 ASN 12 HD22 ASN 12 6.025 6.519 -1.395 90 H SER 13 H SER 13 5.428 2.904 0.815 91 HA SER 13 HA SER 13 8.361 3.333 0.782 92 HB2 SER 13 HB3 SER 13 6.212 4.111 2.718 93 HB3 SER 13 HB2 SER 13 7.840 3.779 3.354 94 HG SER 13 HG SER 13 7.565 5.991 2.726 95 H SER 14 H SER 14 5.916 1.082 2.319 96 HA SER 14 HA SER 14 8.003 -0.438 3.578 97 HB2 SER 14 HB3 SER 14 5.739 -0.377 4.479 98 HB3 SER 14 HB2 SER 14 5.194 -1.396 3.129 99 HG SER 14 HG SER 14 5.738 -2.629 5.007 100 H SER 15 H SER 15 6.252 -1.089 0.494 101 HA SER 15 HA SER 15 7.775 -3.469 -0.094 102 HB2 SER 15 HB3 SER 15 5.547 -2.787 -1.086 103 HB3 SER 15 HB2 SER 15 6.423 -1.597 -2.073 104 HG SER 15 HG SER 15 6.111 -3.608 -3.174 105 H SER 16 H SER 16 8.789 -0.102 -0.205 106 HA SER 16 HA SER 16 10.967 -0.642 -2.156 107 HB2 SER 16 HB3 SER 16 10.030 1.944 -0.833 108 HB3 SER 16 HB2 SER 16 11.387 1.821 -1.973 109 HG SER 16 HG SER 16 9.410 2.422 -3.010 110 H LEU 17 H LEU 17 12.529 -1.813 -1.172 111 HA LEU 17 HA LEU 17 13.323 -1.396 1.620 112 HB2 LEU 17 HB2 LEU 17 14.121 -3.221 -0.642 113 HB3 LEU 17 HB3 LEU 17 15.108 -3.147 0.820 114 HG LEU 17 HG LEU 17 13.532 -5.034 0.713 115 HD11 LEU 17 HD11 LEU 17 14.430 -4.184 2.856 116 HD12 LEU 17 HD12 LEU 17 12.887 -5.058 2.999 117 HD13 LEU 17 HD13 LEU 17 12.914 -3.281 3.089 118 HD21 LEU 17 HD21 LEU 17 11.556 -3.978 -0.343 119 HD22 LEU 17 HD22 LEU 17 11.189 -4.937 1.110 120 HD23 LEU 17 HD23 LEU 17 11.217 -3.159 1.200 Start of MODEL 3 1 H1 ASN 1 H1 ASN 1 -8.284 7.243 -2.275 2 H2 ASN 1 H2 ASN 1 -9.554 6.421 -2.931 3 H3 ASN 1 H3 ASN 1 -8.776 5.817 -1.607 4 HA ASN 1 HA ASN 1 -10.385 8.269 -1.728 5 HB2 ASN 1 HB3 ASN 1 -11.493 5.944 -1.806 6 HB3 ASN 1 HB2 ASN 1 -10.924 5.740 -0.145 7 HD21 ASN 1 HD21 ASN 1 -14.187 8.152 -0.931 8 HD22 ASN 1 HD22 ASN 1 -13.148 7.616 -2.232 9 H VAL 2 H VAL 2 -10.771 9.315 0.322 10 HA VAL 2 HA VAL 2 -8.344 9.462 1.947 11 HB VAL 2 HB VAL 2 -10.779 11.236 2.017 12 HG11 VAL 2 HG21 VAL 2 -9.536 11.292 4.180 13 HG12 VAL 2 HG22 VAL 2 -8.079 11.798 3.293 14 HG13 VAL 2 HG23 VAL 2 -9.518 12.845 3.310 15 HG21 VAL 2 HG11 VAL 2 -9.501 11.412 -0.120 16 HG22 VAL 2 HG12 VAL 2 -8.058 11.868 0.818 17 HG23 VAL 2 HG13 VAL 2 -9.498 12.914 0.835 18 H HIS 3 H HIS 3 -11.835 9.069 2.850 19 HA HIS 3 HA HIS 3 -11.309 8.426 5.569 20 HB2 HIS 3 HB3 HIS 3 -13.474 9.224 4.365 21 HB3 HIS 3 HB2 HIS 3 -13.798 7.490 4.171 22 HD1 HIS 3 HD1 HIS 3 -13.043 10.019 7.092 23 HD2 HIS 3 HD2 HIS 3 -14.844 6.226 6.205 24 HE1 HIS 3 HE1 HIS 3 -14.220 9.072 9.178 25 H THR 4 H THR 4 -11.957 6.179 2.868 26 HA THR 4 HA THR 4 -11.481 3.826 4.536 27 HB THR 4 HB THR 4 -11.823 2.623 2.302 28 HG1 THR 4 HG1 THR 4 -11.485 4.485 0.966 29 HG21 THR 4 HG21 THR 4 -14.267 2.874 2.308 30 HG22 THR 4 HG22 THR 4 -13.610 2.694 3.953 31 HG23 THR 4 HG23 THR 4 -14.115 4.297 3.367 32 H PHE 5 H PHE 5 -9.999 4.807 1.400 33 HA PHE 5 HA PHE 5 -7.885 4.785 0.599 34 HB2 PHE 5 HB2 PHE 5 -7.250 5.878 2.763 35 HB3 PHE 5 HB3 PHE 5 -6.747 4.294 3.349 36 HD1 PHE 5 HD1 PHE 5 -5.884 7.156 1.268 37 HD2 PHE 5 HD2 PHE 5 -4.695 3.253 2.647 38 HE1 PHE 5 HE1 PHE 5 -3.524 7.719 0.797 39 HE2 PHE 5 HE2 PHE 5 -2.322 3.841 2.233 40 HZ PHE 5 HZ PHE 5 -1.745 6.102 1.345 41 H ARG 6 H ARG 6 -6.735 3.423 -0.511 42 HA ARG 6 HA ARG 6 -7.158 0.537 -0.132 43 HB2 ARG 6 HB2 ARG 6 -7.270 2.078 -2.313 44 HB3 ARG 6 HB3 ARG 6 -5.562 1.637 -2.413 45 HG2 ARG 6 HG3 ARG 6 -7.842 -0.373 -2.270 46 HG3 ARG 6 HG2 ARG 6 -7.122 0.215 -3.777 47 HD2 ARG 6 HD3 ARG 6 -4.921 -0.724 -3.078 48 HD3 ARG 6 HD2 ARG 6 -5.683 -1.363 -1.606 49 HE ARG 6 HE ARG 6 -7.173 -2.313 -3.832 50 HH11 ARG 6 HH11 ARG 6 -3.888 -2.814 -2.451 51 HH12 ARG 6 HH12 ARG 6 -3.785 -4.430 -3.113 52 HH21 ARG 6 HH21 ARG 6 -6.926 -4.367 -4.619 53 HH22 ARG 6 HH22 ARG 6 -5.470 -5.288 -4.315 54 H GLY 7 H GLY 7 -4.253 2.279 -1.182 55 HA2 GLY 7 HA3 GLY 7 -2.541 1.927 1.000 56 HA3 GLY 7 HA2 GLY 7 -2.393 0.440 0.045 57 H ILE 8 H ILE 8 -2.626 3.953 -0.676 58 HA ILE 8 HA ILE 8 -0.773 3.849 -2.901 59 HB ILE 8 HB ILE 8 -1.957 6.172 -1.356 60 HG12 ILE 8 HG13 ILE 8 -3.283 6.235 -3.732 61 HG13 ILE 8 HG12 ILE 8 -3.068 4.491 -3.534 62 HG21 ILE 8 HG21 ILE 8 0.075 6.824 -2.621 63 HG22 ILE 8 HG22 ILE 8 -0.706 6.263 -4.120 64 HG23 ILE 8 HG23 ILE 8 -1.404 7.624 -3.209 65 HD11 ILE 8 HD11 ILE 8 -5.242 5.218 -2.647 66 HD12 ILE 8 HD12 ILE 8 -4.425 6.336 -1.529 67 HD13 ILE 8 HD13 ILE 8 -4.211 4.579 -1.346 68 H ASN 9 H ASN 9 -0.566 5.436 0.299 69 HA ASN 9 HA ASN 9 2.284 5.828 0.255 70 HB2 ASN 9 HB2 ASN 9 0.450 7.120 1.489 71 HB3 ASN 9 HB3 ASN 9 0.565 5.869 2.727 72 HD21 ASN 9 HD21 ASN 9 0.982 8.139 3.885 73 HD22 ASN 9 HD22 ASN 9 2.672 8.553 4.057 74 H GLY 10 H GLY 10 0.261 3.382 1.955 75 HA2 GLY 10 HA2 GLY 10 2.182 2.046 3.483 76 HA3 GLY 10 HA3 GLY 10 0.774 1.265 2.749 77 H HIS 11 H HIS 11 1.299 1.134 0.101 78 HA HIS 11 HA HIS 11 3.360 -0.871 -0.165 79 HB2 HIS 11 HB2 HIS 11 1.550 0.595 -2.098 80 HB3 HIS 11 HB3 HIS 11 2.784 -0.533 -2.679 81 HD1 HIS 11 HD1 HIS 11 -0.550 -0.562 -0.590 82 HD2 HIS 11 HD2 HIS 11 2.269 -3.078 -2.600 83 HE1 HIS 11 HE1 HIS 11 -1.487 -2.948 -0.819 84 H ASN 12 H ASN 12 3.269 2.650 -1.086 85 HA ASN 12 HA ASN 12 5.689 2.713 -2.559 86 HB2 ASN 12 HB2 ASN 12 3.941 4.490 -2.425 87 HB3 ASN 12 HB3 ASN 12 4.566 4.942 -0.832 88 HD21 ASN 12 HD21 ASN 12 6.216 6.462 -0.745 89 HD22 ASN 12 HD22 ASN 12 7.105 7.028 -2.142 90 H SER 13 H SER 13 5.290 2.750 0.974 91 HA SER 13 HA SER 13 8.140 3.194 1.530 92 HB2 SER 13 HB2 SER 13 7.328 3.234 3.880 93 HB3 SER 13 HB3 SER 13 6.369 4.313 2.851 94 HG SER 13 HG SER 13 4.828 3.237 3.916 95 H SER 14 H SER 14 5.749 0.540 2.280 96 HA SER 14 HA SER 14 7.817 -1.118 3.366 97 HB2 SER 14 HB3 SER 14 5.515 -1.287 4.137 98 HB3 SER 14 HB2 SER 14 5.080 -2.073 2.605 99 HG SER 14 HG SER 14 5.581 -3.594 4.272 100 H SER 15 H SER 15 6.292 -1.233 0.104 101 HA SER 15 HA SER 15 7.953 -3.436 -0.761 102 HB2 SER 15 HB3 SER 15 6.650 -1.312 -2.503 103 HB3 SER 15 HB2 SER 15 7.285 -2.879 -3.041 104 HG SER 15 HG SER 15 4.998 -2.914 -2.716 105 H SER 16 H SER 16 8.808 -0.036 -0.252 106 HA SER 16 HA SER 16 11.170 -0.228 -2.044 107 HB2 SER 16 HB3 SER 16 9.766 1.826 -2.123 108 HB3 SER 16 HB2 SER 16 10.131 2.125 -0.409 109 HG SER 16 HG SER 16 11.539 3.286 -1.834 110 H LEU 17 H LEU 17 12.696 -1.491 -1.123 111 HA LEU 17 HA LEU 17 13.201 -1.549 1.739 112 HB2 LEU 17 HB2 LEU 17 14.334 -2.905 -0.682 113 HB3 LEU 17 HB3 LEU 17 15.170 -3.041 0.867 114 HG LEU 17 HG LEU 17 13.713 -4.939 0.277 115 HD11 LEU 17 HD11 LEU 17 14.376 -4.447 2.610 116 HD12 LEU 17 HD12 LEU 17 12.874 -5.389 2.454 117 HD13 LEU 17 HD13 LEU 17 12.801 -3.655 2.850 118 HD21 LEU 17 HD21 LEU 17 11.788 -3.785 -0.767 119 HD22 LEU 17 HD22 LEU 17 11.271 -3.263 0.856 120 HD23 LEU 17 HD23 LEU 17 11.345 -4.998 0.460 Start of MODEL 4 1 H1 ASN 1 H1 ASN 1 -8.866 7.217 -2.700 2 H2 ASN 1 H2 ASN 1 -9.323 5.805 -1.981 3 H3 ASN 1 H3 ASN 1 -10.176 6.390 -3.265 4 HA ASN 1 HA ASN 1 -10.926 8.259 -2.049 5 HB2 ASN 1 HB3 ASN 1 -12.048 5.947 -2.022 6 HB3 ASN 1 HB2 ASN 1 -11.376 5.759 -0.398 7 HD21 ASN 1 HD21 ASN 1 -14.666 8.190 -1.004 8 HD22 ASN 1 HD22 ASN 1 -13.704 7.647 -2.360 9 H VAL 2 H VAL 2 -11.181 9.354 -0.019 10 HA VAL 2 HA VAL 2 -8.671 9.524 1.471 11 HB VAL 2 HB VAL 2 -11.090 11.315 1.633 12 HG11 VAL 2 HG21 VAL 2 -9.727 11.414 3.720 13 HG12 VAL 2 HG22 VAL 2 -8.320 11.891 2.742 14 HG13 VAL 2 HG23 VAL 2 -9.752 12.946 2.815 15 HG21 VAL 2 HG11 VAL 2 -9.933 11.434 -0.576 16 HG22 VAL 2 HG12 VAL 2 -8.438 11.903 0.269 17 HG23 VAL 2 HG13 VAL 2 -9.870 12.958 0.343 18 H HIS 3 H HIS 3 -12.112 9.155 2.551 19 HA HIS 3 HA HIS 3 -11.470 8.600 5.262 20 HB2 HIS 3 HB3 HIS 3 -13.691 9.337 4.120 21 HB3 HIS 3 HB2 HIS 3 -14.004 7.594 3.995 22 HD1 HIS 3 HD1 HIS 3 -13.165 10.228 6.797 23 HD2 HIS 3 HD2 HIS 3 -14.949 6.385 6.113 24 HE1 HIS 3 HE1 HIS 3 -14.247 9.340 8.959 25 H THR 4 H THR 4 -12.197 6.259 2.663 26 HA THR 4 HA THR 4 -11.631 3.969 4.389 27 HB THR 4 HB THR 4 -12.040 2.685 2.215 28 HG1 THR 4 HG1 THR 4 -11.767 4.499 0.802 29 HG21 THR 4 HG21 THR 4 -14.485 2.913 2.298 30 HG22 THR 4 HG22 THR 4 -13.769 2.800 3.924 31 HG23 THR 4 HG23 THR 4 -14.312 4.375 3.298 32 H PHE 5 H PHE 5 -10.271 4.843 1.161 33 HA PHE 5 HA PHE 5 -8.186 4.805 0.288 34 HB2 PHE 5 HB2 PHE 5 -7.527 6.044 2.367 35 HB3 PHE 5 HB3 PHE 5 -6.957 4.514 3.027 36 HD1 PHE 5 HD1 PHE 5 -4.885 3.500 2.314 37 HD2 PHE 5 HD2 PHE 5 -6.249 7.284 0.775 38 HE1 PHE 5 HE1 PHE 5 -2.547 4.135 1.777 39 HE2 PHE 5 HE2 PHE 5 -3.923 7.894 0.194 40 HZ PHE 5 HZ PHE 5 -2.073 6.359 0.736 41 H ARG 6 H ARG 6 -6.918 3.423 -0.716 42 HA ARG 6 HA ARG 6 -7.339 0.549 -0.257 43 HB2 ARG 6 HB3 ARG 6 -7.191 2.182 -2.476 44 HB3 ARG 6 HB2 ARG 6 -5.580 1.456 -2.455 45 HG2 ARG 6 HG2 ARG 6 -6.811 0.065 -3.869 46 HG3 ARG 6 HG3 ARG 6 -6.761 -0.820 -2.336 47 HD2 ARG 6 HD3 ARG 6 -9.082 -0.051 -1.837 48 HD3 ARG 6 HD2 ARG 6 -9.118 0.810 -3.389 49 HE ARG 6 HE ARG 6 -9.279 -2.119 -2.976 50 HH11 ARG 6 HH11 ARG 6 -10.093 -2.682 -6.285 51 HH12 ARG 6 HH12 ARG 6 -9.956 -3.350 -4.674 52 HH21 ARG 6 HH21 ARG 6 -9.051 0.518 -5.411 53 HH22 ARG 6 HH22 ARG 6 -9.593 -0.540 -6.695 54 H GLY 7 H GLY 7 -4.370 2.211 -1.313 55 HA2 GLY 7 HA3 GLY 7 -2.757 1.988 0.969 56 HA3 GLY 7 HA2 GLY 7 -2.607 0.434 0.131 57 H ILE 8 H ILE 8 -2.685 3.883 -0.839 58 HA ILE 8 HA ILE 8 -0.695 3.576 -2.928 59 HB ILE 8 HB ILE 8 -1.942 6.028 -1.658 60 HG12 ILE 8 HG13 ILE 8 -3.107 5.917 -4.116 61 HG13 ILE 8 HG12 ILE 8 -2.936 4.192 -3.766 62 HG21 ILE 8 HG21 ILE 8 0.178 6.554 -2.829 63 HG22 ILE 8 HG22 ILE 8 -1.244 7.321 -3.575 64 HG23 ILE 8 HG23 ILE 8 -0.510 5.884 -4.329 65 HD11 ILE 8 HD11 ILE 8 -5.152 5.015 -3.091 66 HD12 ILE 8 HD12 ILE 8 -4.220 4.469 -1.676 67 HD13 ILE 8 HD13 ILE 8 -4.392 6.209 -2.012 68 H ASN 9 H ASN 9 -0.684 5.404 0.157 69 HA ASN 9 HA ASN 9 2.123 5.881 0.289 70 HB2 ASN 9 HB2 ASN 9 0.174 7.056 1.443 71 HB3 ASN 9 HB3 ASN 9 0.278 5.792 2.669 72 HD21 ASN 9 HD21 ASN 9 2.166 8.551 4.161 73 HD22 ASN 9 HD22 ASN 9 0.512 8.053 3.884 74 H GLY 10 H GLY 10 0.181 3.312 1.909 75 HA2 GLY 10 HA2 GLY 10 2.166 2.081 3.470 76 HA3 GLY 10 HA3 GLY 10 0.791 1.234 2.745 77 H HIS 11 H HIS 11 1.329 1.187 0.067 78 HA HIS 11 HA HIS 11 3.417 -0.771 -0.247 79 HB2 HIS 11 HB3 HIS 11 1.554 0.744 -2.079 80 HB3 HIS 11 HB2 HIS 11 2.881 -0.200 -2.774 81 HD1 HIS 11 HD1 HIS 11 2.330 -2.837 -3.133 82 HD2 HIS 11 HD2 HIS 11 -0.142 -0.624 -0.437 83 HE1 HIS 11 HE1 HIS 11 0.330 -4.278 -2.367 84 H ASN 12 H ASN 12 3.342 2.777 -0.966 85 HA ASN 12 HA ASN 12 5.761 2.949 -2.432 86 HB2 ASN 12 HB3 ASN 12 3.964 4.679 -2.231 87 HB3 ASN 12 HB2 ASN 12 4.563 5.056 -0.610 88 HD21 ASN 12 HD21 ASN 12 5.344 5.244 -4.100 89 HD22 ASN 12 HD22 ASN 12 6.568 6.483 -3.930 90 H SER 13 H SER 13 5.390 2.756 1.126 91 HA SER 13 HA SER 13 8.312 3.095 1.463 92 HB2 SER 13 HB3 SER 13 5.969 3.538 3.283 93 HB3 SER 13 HB2 SER 13 7.539 3.114 4.001 94 HG SER 13 HG SER 13 7.273 5.398 3.730 95 H SER 14 H SER 14 5.732 0.647 2.347 96 HA SER 14 HA SER 14 7.702 -1.083 3.525 97 HB2 SER 14 HB3 SER 14 5.368 -1.151 4.223 98 HB3 SER 14 HB2 SER 14 4.948 -1.926 2.680 99 HG SER 14 HG SER 14 5.333 -3.459 4.367 100 H SER 15 H SER 15 6.224 -1.220 0.234 101 HA SER 15 HA SER 15 7.838 -3.471 -0.589 102 HB2 SER 15 HB3 SER 15 5.684 -2.657 -1.646 103 HB3 SER 15 HB2 SER 15 6.616 -1.324 -2.363 104 HG SER 15 HG SER 15 6.435 -3.144 -3.780 105 H SER 16 H SER 16 8.796 -0.128 -0.073 106 HA SER 16 HA SER 16 11.052 -0.219 -1.977 107 HB2 SER 16 HB3 SER 16 9.729 1.869 -1.651 108 HB3 SER 16 HB2 SER 16 10.236 1.907 0.052 109 HG SER 16 HG SER 16 11.569 3.226 -1.301 110 H LEU 17 H LEU 17 12.899 -1.194 -1.464 111 HA LEU 17 HA LEU 17 13.548 -2.033 1.257 112 HB2 LEU 17 HB2 LEU 17 14.783 -2.311 -1.480 113 HB3 LEU 17 HB3 LEU 17 15.693 -2.797 -0.048 114 HG LEU 17 HG LEU 17 14.592 -4.634 -1.247 115 HD11 LEU 17 HD21 LEU 17 15.190 -4.817 1.147 116 HD12 LEU 17 HD22 LEU 17 13.879 -5.904 0.632 117 HD13 LEU 17 HD23 LEU 17 13.502 -4.432 1.560 118 HD21 LEU 17 HD11 LEU 17 12.472 -3.564 -1.945 119 HD22 LEU 17 HD12 LEU 17 12.275 -5.165 -1.193 120 HD23 LEU 17 HD13 LEU 17 11.897 -3.693 -0.265 Start of MODEL 5 1 H1 ASN 1 H1 ASN 1 -9.186 7.034 -1.974 2 H2 ASN 1 H2 ASN 1 -10.480 6.206 -2.574 3 H3 ASN 1 H3 ASN 1 -9.543 5.530 -1.397 4 HA ASN 1 HA ASN 1 -11.260 7.893 -1.128 5 HB2 ASN 1 HB3 ASN 1 -12.273 5.536 -1.314 6 HB3 ASN 1 HB2 ASN 1 -11.518 5.205 0.250 7 HD21 ASN 1 HD21 ASN 1 -14.021 7.179 -1.389 8 HD22 ASN 1 HD22 ASN 1 -14.940 7.517 0.060 9 H VAL 2 H VAL 2 -11.470 8.745 1.020 10 HA VAL 2 HA VAL 2 -8.904 8.881 2.415 11 HB VAL 2 HB VAL 2 -11.396 10.511 2.878 12 HG11 VAL 2 HG11 VAL 2 -9.940 10.454 4.904 13 HG12 VAL 2 HG12 VAL 2 -10.083 12.072 4.178 14 HG13 VAL 2 HG13 VAL 2 -8.606 11.111 3.926 15 HG21 VAL 2 HG21 VAL 2 -10.353 10.935 0.651 16 HG22 VAL 2 HG22 VAL 2 -10.320 12.349 1.731 17 HG23 VAL 2 HG23 VAL 2 -8.844 11.387 1.478 18 H HIS 3 H HIS 3 -12.269 8.214 3.590 19 HA HIS 3 HA HIS 3 -11.472 7.398 6.190 20 HB2 HIS 3 HB3 HIS 3 -13.777 8.137 5.232 21 HB3 HIS 3 HB2 HIS 3 -14.010 6.403 4.927 22 HD1 HIS 3 HD1 HIS 3 -13.167 8.756 7.972 23 HD2 HIS 3 HD2 HIS 3 -14.797 4.922 6.935 24 HE1 HIS 3 HE1 HIS 3 -14.100 7.577 10.061 25 H THR 4 H THR 4 -12.207 5.321 3.377 26 HA THR 4 HA THR 4 -11.450 2.889 4.810 27 HB THR 4 HB THR 4 -11.902 1.831 2.523 28 HG1 THR 4 HG1 THR 4 -11.786 3.802 1.315 29 HG21 THR 4 HG21 THR 4 -14.348 1.919 2.738 30 HG22 THR 4 HG22 THR 4 -14.196 3.271 3.887 31 HG23 THR 4 HG23 THR 4 -13.550 1.667 4.310 32 H PHE 5 H PHE 5 -10.291 4.178 1.645 33 HA PHE 5 HA PHE 5 -8.251 4.345 0.684 34 HB2 PHE 5 HB2 PHE 5 -7.549 5.390 2.848 35 HB3 PHE 5 HB3 PHE 5 -6.886 3.828 3.324 36 HD1 PHE 5 HD1 PHE 5 -6.426 6.821 1.283 37 HD2 PHE 5 HD2 PHE 5 -4.782 3.030 2.488 38 HE1 PHE 5 HE1 PHE 5 -4.167 7.620 0.680 39 HE2 PHE 5 HE2 PHE 5 -2.507 3.850 1.928 40 HZ PHE 5 HZ PHE 5 -2.208 6.172 1.050 41 H ARG 6 H ARG 6 -6.971 3.145 -0.519 42 HA ARG 6 HA ARG 6 -7.252 0.224 -0.350 43 HB2 ARG 6 HB2 ARG 6 -7.294 2.131 -2.369 44 HB3 ARG 6 HB3 ARG 6 -5.726 1.349 -2.597 45 HG2 ARG 6 HG3 ARG 6 -8.331 -0.196 -2.416 46 HG3 ARG 6 HG2 ARG 6 -7.702 0.454 -3.934 47 HD2 ARG 6 HD2 ARG 6 -7.098 -1.818 -3.917 48 HD3 ARG 6 HD3 ARG 6 -5.613 -0.928 -3.555 49 HE ARG 6 HE ARG 6 -5.549 -1.900 -1.421 50 HH11 ARG 6 HH11 ARG 6 -7.567 -4.329 -0.026 51 HH12 ARG 6 HH12 ARG 6 -6.074 -3.424 0.079 52 HH21 ARG 6 HH21 ARG 6 -9.018 -3.978 -1.694 53 HH22 ARG 6 HH22 ARG 6 -8.690 -2.787 -2.933 54 H GLY 7 H GLY 7 -4.419 2.225 -1.260 55 HA2 GLY 7 HA3 GLY 7 -2.688 1.789 0.866 56 HA3 GLY 7 HA2 GLY 7 -2.510 0.340 -0.137 57 H ILE 8 H ILE 8 -2.782 3.865 -0.748 58 HA ILE 8 HA ILE 8 -0.860 3.851 -2.923 59 HB ILE 8 HB ILE 8 -2.171 6.111 -1.387 60 HG12 ILE 8 HG13 ILE 8 -3.414 6.170 -3.809 61 HG13 ILE 8 HG12 ILE 8 -3.153 4.432 -3.628 62 HG21 ILE 8 HG21 ILE 8 -0.120 6.845 -2.571 63 HG22 ILE 8 HG22 ILE 8 -1.599 7.607 -3.199 64 HG23 ILE 8 HG23 ILE 8 -0.829 6.282 -4.104 65 HD11 ILE 8 HD11 ILE 8 -5.380 5.079 -2.812 66 HD12 ILE 8 HD12 ILE 8 -4.639 6.204 -1.648 67 HD13 ILE 8 HD13 ILE 8 -4.378 4.451 -1.483 68 H ASN 9 H ASN 9 -0.826 5.395 0.311 69 HA ASN 9 HA ASN 9 1.985 5.931 0.396 70 HB2 ASN 9 HB2 ASN 9 0.033 7.022 1.640 71 HB3 ASN 9 HB3 ASN 9 0.197 5.712 2.809 72 HD21 ASN 9 HD21 ASN 9 2.071 8.448 4.361 73 HD22 ASN 9 HD22 ASN 9 0.420 7.929 4.109 74 H GLY 10 H GLY 10 0.098 3.256 1.904 75 HA2 GLY 10 HA2 GLY 10 2.101 1.993 3.404 76 HA3 GLY 10 HA3 GLY 10 0.753 1.151 2.626 77 H HIS 11 H HIS 11 1.321 1.219 -0.044 78 HA HIS 11 HA HIS 11 3.495 -0.648 -0.384 79 HB2 HIS 11 HB2 HIS 11 1.630 0.838 -2.246 80 HB3 HIS 11 HB3 HIS 11 2.951 -0.147 -2.892 81 HD1 HIS 11 HD1 HIS 11 -0.367 -0.601 -0.814 82 HD2 HIS 11 HD2 HIS 11 2.612 -2.713 -3.049 83 HE1 HIS 11 HE1 HIS 11 -1.104 -3.037 -1.212 84 H ASN 12 H ASN 12 3.235 2.909 -1.014 85 HA ASN 12 HA ASN 12 5.638 3.260 -2.463 86 HB2 ASN 12 HB2 ASN 12 3.752 4.873 -2.184 87 HB3 ASN 12 HB3 ASN 12 4.356 5.249 -0.566 88 HD21 ASN 12 HD21 ASN 12 5.857 6.902 -0.372 89 HD22 ASN 12 HD22 ASN 12 6.685 7.644 -1.722 90 H SER 13 H SER 13 5.356 2.780 1.064 91 HA SER 13 HA SER 13 8.289 3.194 1.297 92 HB2 SER 13 HB3 SER 13 6.059 4.033 3.048 93 HB3 SER 13 HB2 SER 13 7.470 3.353 3.889 94 HG SER 13 HG SER 13 7.670 5.629 3.516 95 H SER 14 H SER 14 5.667 0.857 2.270 96 HA SER 14 HA SER 14 7.552 -0.828 3.639 97 HB2 SER 14 HB3 SER 14 5.175 -0.813 4.206 98 HB3 SER 14 HB2 SER 14 4.831 -1.670 2.689 99 HG SER 14 HG SER 14 5.084 -3.108 4.482 100 H SER 15 H SER 15 6.282 -1.057 0.276 101 HA SER 15 HA SER 15 7.812 -3.428 -0.348 102 HB2 SER 15 HB3 SER 15 6.729 -1.279 -2.212 103 HB3 SER 15 HB2 SER 15 7.303 -2.888 -2.698 104 HG SER 15 HG SER 15 5.008 -2.797 -2.466 105 H SER 16 H SER 16 9.015 -0.210 0.206 106 HA SER 16 HA SER 16 11.178 -0.259 -1.765 107 HB2 SER 16 HB3 SER 16 10.683 1.557 0.632 108 HB3 SER 16 HB2 SER 16 11.942 1.800 -0.597 109 HG SER 16 HG SER 16 10.029 3.020 -1.034 110 H LEU 17 H LEU 17 13.081 -1.252 -1.586 111 HA LEU 17 HA LEU 17 13.835 -2.729 0.816 112 HB2 LEU 17 HB2 LEU 17 14.938 -2.331 -1.960 113 HB3 LEU 17 HB3 LEU 17 15.924 -3.133 -0.734 114 HG LEU 17 HG LEU 17 14.733 -4.633 -2.292 115 HD11 LEU 17 HD11 LEU 17 15.532 -5.381 -0.072 116 HD12 LEU 17 HD12 LEU 17 14.183 -6.339 -0.730 117 HD13 LEU 17 HD13 LEU 17 13.883 -5.147 0.558 118 HD21 LEU 17 HD21 LEU 17 12.562 -3.471 -2.533 119 HD22 LEU 17 HD22 LEU 17 12.130 -4.018 -0.895 120 HD23 LEU 17 HD23 LEU 17 12.430 -5.211 -2.183 Start of MODEL 6 1 H1 ASN 1 H1 ASN 1 -12.240 4.132 1.495 2 H2 ASN 1 H2 ASN 1 -13.450 3.466 0.595 3 H3 ASN 1 H3 ASN 1 -12.038 2.644 0.813 4 HA ASN 1 HA ASN 1 -14.022 3.303 2.868 5 HB2 ASN 1 HB3 ASN 1 -14.455 1.473 1.087 6 HB3 ASN 1 HB2 ASN 1 -13.196 0.551 1.918 7 HD21 ASN 1 HD21 ASN 1 -13.954 -0.929 3.383 8 HD22 ASN 1 HD22 ASN 1 -15.461 -0.790 4.259 9 H VAL 2 H VAL 2 -13.659 2.383 4.952 10 HA VAL 2 HA VAL 2 -10.889 2.651 5.830 11 HB VAL 2 HB VAL 2 -13.385 2.301 7.486 12 HG11 VAL 2 HG21 VAL 2 -11.341 1.608 8.740 13 HG12 VAL 2 HG22 VAL 2 -10.667 3.234 8.474 14 HG13 VAL 2 HG23 VAL 2 -12.152 3.033 9.432 15 HG21 VAL 2 HG11 VAL 2 -13.352 4.452 6.217 16 HG22 VAL 2 HG12 VAL 2 -11.821 4.867 7.025 17 HG23 VAL 2 HG13 VAL 2 -13.308 4.666 7.983 18 H HIS 3 H HIS 3 -13.311 -0.020 6.182 19 HA HIS 3 HA HIS 3 -11.513 -1.832 7.439 20 HB2 HIS 3 HB3 HIS 3 -14.113 -1.786 7.300 21 HB3 HIS 3 HB2 HIS 3 -13.877 -2.792 5.856 22 HD1 HIS 3 HD1 HIS 3 -12.894 -2.855 9.668 23 HD2 HIS 3 HD2 HIS 3 -13.458 -5.348 6.220 24 HE1 HIS 3 HE1 HIS 3 -12.682 -5.339 10.308 25 H THR 4 H THR 4 -12.455 -1.726 3.987 26 HA THR 4 HA THR 4 -10.614 -3.850 3.248 27 HB THR 4 HB THR 4 -11.308 -3.175 0.891 28 HG1 THR 4 HG1 THR 4 -12.050 -1.054 1.447 29 HG21 THR 4 HG21 THR 4 -13.549 -4.173 1.017 30 HG22 THR 4 HG22 THR 4 -13.517 -4.016 2.790 31 HG23 THR 4 HG23 THR 4 -12.357 -5.089 1.970 32 H PHE 5 H PHE 5 -10.758 -0.461 2.049 33 HA PHE 5 HA PHE 5 -9.239 1.057 1.466 34 HB2 PHE 5 HB3 PHE 5 -7.518 1.674 2.853 35 HB3 PHE 5 HB2 PHE 5 -8.730 0.912 3.873 36 HD1 PHE 5 HD1 PHE 5 -8.090 -0.910 5.334 37 HD2 PHE 5 HD2 PHE 5 -5.366 0.459 2.286 38 HE1 PHE 5 HE1 PHE 5 -6.271 -2.235 6.356 39 HE2 PHE 5 HE2 PHE 5 -3.544 -0.870 3.317 40 HZ PHE 5 HZ PHE 5 -3.998 -2.217 5.357 41 H ARG 6 H ARG 6 -7.505 1.708 0.190 42 HA ARG 6 HA ARG 6 -6.562 -0.340 -1.684 43 HB2 ARG 6 HB3 ARG 6 -7.353 2.292 -1.891 44 HB3 ARG 6 HB2 ARG 6 -5.594 2.446 -1.944 45 HG2 ARG 6 HG2 ARG 6 -6.225 2.339 -4.192 46 HG3 ARG 6 HG3 ARG 6 -5.636 0.709 -3.834 47 HD2 ARG 6 HD2 ARG 6 -7.975 -0.093 -3.632 48 HD3 ARG 6 HD3 ARG 6 -8.569 1.546 -3.975 49 HE ARG 6 HE ARG 6 -6.819 0.768 -6.088 50 HH11 ARG 6 HH11 ARG 6 -10.596 -0.662 -6.465 51 HH12 ARG 6 HH12 ARG 6 -10.080 -0.143 -4.876 52 HH21 ARG 6 HH21 ARG 6 -9.213 -0.536 -8.218 53 HH22 ARG 6 HH22 ARG 6 -7.586 0.082 -8.046 54 H GLY 7 H GLY 7 -4.782 2.380 -0.208 55 HA2 GLY 7 HA3 GLY 7 -2.896 2.151 1.307 56 HA3 GLY 7 HA2 GLY 7 -2.574 0.546 0.626 57 H ILE 8 H ILE 8 -2.839 3.936 -0.492 58 HA ILE 8 HA ILE 8 -0.897 3.663 -2.627 59 HB ILE 8 HB ILE 8 -2.157 6.103 -1.345 60 HG12 ILE 8 HG13 ILE 8 -3.418 5.941 -3.747 61 HG13 ILE 8 HG12 ILE 8 -3.192 4.223 -3.396 62 HG21 ILE 8 HG21 ILE 8 -0.094 6.651 -2.610 63 HG22 ILE 8 HG22 ILE 8 -1.559 7.380 -3.310 64 HG23 ILE 8 HG23 ILE 8 -0.829 5.946 -4.069 65 HD11 ILE 8 HD11 ILE 8 -5.400 4.996 -2.636 66 HD12 ILE 8 HD12 ILE 8 -4.399 4.479 -1.256 67 HD13 ILE 8 HD13 ILE 8 -4.626 6.213 -1.592 68 H ASN 9 H ASN 9 -0.841 5.543 0.424 69 HA ASN 9 HA ASN 9 1.943 6.122 0.464 70 HB2 ASN 9 HB2 ASN 9 -0.023 7.213 1.678 71 HB3 ASN 9 HB3 ASN 9 0.195 5.972 2.910 72 HD21 ASN 9 HD21 ASN 9 0.364 8.259 4.092 73 HD22 ASN 9 HD22 ASN 9 2.000 8.842 4.294 74 H GLY 10 H GLY 10 0.178 3.484 2.168 75 HA2 GLY 10 HA2 GLY 10 2.297 2.360 3.647 76 HA3 GLY 10 HA3 GLY 10 0.913 1.452 3.016 77 H HIS 11 H HIS 11 1.317 1.411 0.292 78 HA HIS 11 HA HIS 11 3.450 -0.483 -0.099 79 HB2 HIS 11 HB3 HIS 11 1.448 0.936 -1.846 80 HB3 HIS 11 HB2 HIS 11 2.802 0.089 -2.612 81 HD1 HIS 11 HD1 HIS 11 2.499 -2.612 -2.867 82 HD2 HIS 11 HD2 HIS 11 -0.134 -0.535 -0.217 83 HE1 HIS 11 HE1 HIS 11 0.656 -4.201 -2.010 84 H ASN 12 H ASN 12 3.239 3.056 -0.807 85 HA ASN 12 HA ASN 12 5.561 3.333 -2.388 86 HB2 ASN 12 HB2 ASN 12 3.719 4.987 -2.005 87 HB3 ASN 12 HB3 ASN 12 4.453 5.381 -0.445 88 HD21 ASN 12 HD21 ASN 12 6.749 7.689 -1.827 89 HD22 ASN 12 HD22 ASN 12 6.013 6.994 -0.400 90 H SER 13 H SER 13 5.483 2.894 1.152 91 HA SER 13 HA SER 13 8.436 3.221 1.195 92 HB2 SER 13 HB3 SER 13 6.360 4.222 3.043 93 HB3 SER 13 HB2 SER 13 7.782 3.498 3.828 94 HG SER 13 HG SER 13 8.073 5.748 3.363 95 H SER 14 H SER 14 5.790 1.029 2.407 96 HA SER 14 HA SER 14 7.688 -0.689 3.721 97 HB2 SER 14 HB3 SER 14 5.356 -0.549 4.434 98 HB3 SER 14 HB2 SER 14 4.875 -1.428 2.967 99 HG SER 14 HG SER 14 5.171 -2.827 4.784 100 H SER 15 H SER 15 6.191 -0.980 0.460 101 HA SER 15 HA SER 15 7.583 -3.432 -0.175 102 HB2 SER 15 HB3 SER 15 6.444 -1.314 -2.044 103 HB3 SER 15 HB2 SER 15 6.911 -2.966 -2.497 104 HG SER 15 HG SER 15 4.644 -2.763 -2.103 105 H SER 16 H SER 16 8.935 -0.249 0.175 106 HA SER 16 HA SER 16 10.936 -0.434 -1.950 107 HB2 SER 16 HB3 SER 16 10.691 1.464 0.422 108 HB3 SER 16 HB2 SER 16 11.859 1.627 -0.907 109 HG SER 16 HG SER 16 9.960 2.905 -1.231 110 H LEU 17 H LEU 17 12.810 -1.491 -1.886 111 HA LEU 17 HA LEU 17 13.700 -2.927 0.493 112 HB2 LEU 17 HB2 LEU 17 14.597 -2.646 -2.369 113 HB3 LEU 17 HB3 LEU 17 15.649 -3.447 -1.199 114 HG LEU 17 HG LEU 17 14.292 -4.948 -2.615 115 HD11 LEU 17 HD21 LEU 17 15.227 -5.669 -0.438 116 HD12 LEU 17 HD22 LEU 17 13.642 -5.351 0.306 117 HD13 LEU 17 HD23 LEU 17 13.797 -6.589 -0.964 118 HD21 LEU 17 HD11 LEU 17 12.152 -3.710 -2.725 119 HD22 LEU 17 HD12 LEU 17 11.828 -4.195 -1.043 120 HD23 LEU 17 HD13 LEU 17 11.983 -5.434 -2.312 Start of MODEL 7 1 H1 ASN 1 H1 ASN 1 -10.573 -3.493 4.938 2 H2 ASN 1 H2 ASN 1 -9.221 -4.056 5.694 3 H3 ASN 1 H3 ASN 1 -9.948 -2.676 6.227 4 HA ASN 1 HA ASN 1 -9.399 -1.480 4.329 5 HB2 ASN 1 HB3 ASN 1 -7.877 -1.872 6.327 6 HB3 ASN 1 HB2 ASN 1 -6.925 -2.920 5.270 7 HD21 ASN 1 HD21 ASN 1 -5.015 -0.260 3.989 8 HD22 ASN 1 HD22 ASN 1 -5.186 -1.975 4.289 9 H VAL 2 H VAL 2 -9.596 -4.616 3.459 10 HA VAL 2 HA VAL 2 -7.925 -4.574 1.065 11 HB VAL 2 HB VAL 2 -9.871 -6.682 2.000 12 HG11 VAL 2 HG11 VAL 2 -9.478 -6.802 -0.460 13 HG12 VAL 2 HG12 VAL 2 -7.736 -6.986 -0.142 14 HG13 VAL 2 HG13 VAL 2 -8.881 -8.227 0.423 15 HG21 VAL 2 HG21 VAL 2 -7.918 -6.423 3.532 16 HG22 VAL 2 HG22 VAL 2 -7.981 -8.010 2.726 17 HG23 VAL 2 HG23 VAL 2 -6.836 -6.769 2.160 18 H HIS 3 H HIS 3 -11.493 -4.835 1.573 19 HA HIS 3 HA HIS 3 -12.210 -4.331 -1.142 20 HB2 HIS 3 HB3 HIS 3 -13.505 -5.379 0.890 21 HB3 HIS 3 HB2 HIS 3 -14.060 -3.711 1.145 22 HD1 HIS 3 HD1 HIS 3 -16.631 -4.324 0.355 23 HD2 HIS 3 HD2 HIS 3 -13.439 -4.988 -2.437 24 HE1 HIS 3 HE1 HIS 3 -17.573 -4.756 -2.004 25 H THR 4 H THR 4 -12.044 -2.060 1.607 26 HA THR 4 HA THR 4 -13.058 0.211 0.136 27 HB THR 4 HB THR 4 -12.296 1.460 2.216 28 HG1 THR 4 HG1 THR 4 -11.745 0.217 4.015 29 HG21 THR 4 HG21 THR 4 -14.044 0.574 3.702 30 HG22 THR 4 HG22 THR 4 -14.620 0.748 2.027 31 HG23 THR 4 HG23 THR 4 -14.199 -0.861 2.661 32 H PHE 5 H PHE 5 -9.819 -0.176 1.673 33 HA PHE 5 HA PHE 5 -8.637 1.789 -0.159 34 HB2 PHE 5 HB3 PHE 5 -8.195 1.579 2.340 35 HB3 PHE 5 HB2 PHE 5 -7.281 0.118 1.971 36 HD1 PHE 5 HD1 PHE 5 -7.320 3.802 1.666 37 HD2 PHE 5 HD2 PHE 5 -5.025 0.171 1.312 38 HE1 PHE 5 HE1 PHE 5 -5.231 5.107 1.889 39 HE2 PHE 5 HE2 PHE 5 -2.923 1.482 1.570 40 HZ PHE 5 HZ PHE 5 -3.047 3.962 1.902 41 H ARG 6 H ARG 6 -7.065 1.489 -1.634 42 HA ARG 6 HA ARG 6 -6.863 -1.130 -2.937 43 HB2 ARG 6 HB2 ARG 6 -7.047 1.451 -3.814 44 HB3 ARG 6 HB3 ARG 6 -5.310 1.171 -3.983 45 HG2 ARG 6 HG3 ARG 6 -7.467 -0.581 -5.226 46 HG3 ARG 6 HG2 ARG 6 -6.657 0.757 -6.056 47 HD2 ARG 6 HD3 ARG 6 -4.477 -0.417 -5.807 48 HD3 ARG 6 HD2 ARG 6 -5.315 -1.771 -5.020 49 HE ARG 6 HE ARG 6 -5.374 -1.072 -7.898 50 HH11 ARG 6 HH11 ARG 6 -7.294 -4.372 -6.532 51 HH12 ARG 6 HH12 ARG 6 -6.711 -3.226 -5.347 52 HH21 ARG 6 HH21 ARG 6 -6.983 -4.017 -8.720 53 HH22 ARG 6 HH22 ARG 6 -6.151 -2.590 -9.296 54 H GLY 7 H GLY 7 -4.308 1.275 -2.241 55 HA2 GLY 7 HA3 GLY 7 -2.760 0.006 -0.336 56 HA3 GLY 7 HA2 GLY 7 -2.261 -0.762 -1.851 57 H ILE 8 H ILE 8 -2.992 2.588 -0.802 58 HA ILE 8 HA ILE 8 -0.854 3.768 -2.377 59 HB ILE 8 HB ILE 8 -2.661 4.911 -0.227 60 HG12 ILE 8 HG13 ILE 8 -3.616 6.015 -2.524 61 HG13 ILE 8 HG12 ILE 8 -3.115 4.429 -3.119 62 HG21 ILE 8 HG21 ILE 8 -0.623 6.282 -0.571 63 HG22 ILE 8 HG22 ILE 8 -2.121 7.131 -1.023 64 HG23 ILE 8 HG23 ILE 8 -1.060 6.463 -2.287 65 HD11 ILE 8 HD11 ILE 8 -5.491 4.426 -2.496 66 HD12 ILE 8 HD12 ILE 8 -4.562 3.323 -1.453 67 HD13 ILE 8 HD13 ILE 8 -5.068 4.915 -0.838 68 H ASN 9 H ASN 9 -1.428 3.579 1.156 69 HA ASN 9 HA ASN 9 1.237 4.239 1.966 70 HB2 ASN 9 HB2 ASN 9 -0.988 4.440 3.209 71 HB3 ASN 9 HB3 ASN 9 -0.760 2.748 3.653 72 HD21 ASN 9 HD21 ASN 9 -1.032 4.089 5.845 73 HD22 ASN 9 HD22 ASN 9 0.480 4.556 6.591 74 H GLY 10 H GLY 10 -0.373 1.024 1.726 75 HA2 GLY 10 HA2 GLY 10 1.608 -0.639 2.801 76 HA3 GLY 10 HA3 GLY 10 0.512 -1.109 1.494 77 H HIS 11 H HIS 11 1.362 0.255 -0.692 78 HA HIS 11 HA HIS 11 3.828 -1.025 -1.471 79 HB2 HIS 11 HB3 HIS 11 1.979 1.016 -2.741 80 HB3 HIS 11 HB2 HIS 11 3.496 0.544 -3.520 81 HD1 HIS 11 HD1 HIS 11 0.067 -1.093 -2.481 82 HD2 HIS 11 HD2 HIS 11 3.564 -1.646 -4.889 83 HE1 HIS 11 HE1 HIS 11 -0.246 -3.095 -4.068 84 H ASN 12 H ASN 12 3.091 2.367 -0.441 85 HA ASN 12 HA ASN 12 5.569 3.554 -1.133 86 HB2 ASN 12 HB2 ASN 12 3.438 4.697 -0.517 87 HB3 ASN 12 HB3 ASN 12 3.760 4.319 1.180 88 HD21 ASN 12 HD21 ASN 12 5.895 7.112 1.669 89 HD22 ASN 12 HD22 ASN 12 5.074 5.737 2.371 90 H SER 13 H SER 13 4.865 1.558 1.761 91 HA SER 13 HA SER 13 7.617 2.056 2.743 92 HB2 SER 13 HB3 SER 13 5.053 1.518 4.134 93 HB3 SER 13 HB2 SER 13 6.499 0.753 4.831 94 HG SER 13 HG SER 13 6.147 2.891 5.641 95 H SER 14 H SER 14 5.478 -0.761 1.848 96 HA SER 14 HA SER 14 7.566 -2.623 2.559 97 HB2 SER 14 HB3 SER 14 5.216 -3.268 2.661 98 HB3 SER 14 HB2 SER 14 5.154 -3.255 0.886 99 HG SER 14 HG SER 14 5.598 -5.356 1.743 100 H SER 15 H SER 15 6.583 -1.320 -0.655 101 HA SER 15 HA SER 15 8.663 -2.733 -2.077 102 HB2 SER 15 HB3 SER 15 6.534 -1.733 -3.029 103 HB3 SER 15 HB2 SER 15 7.296 -0.135 -2.873 104 HG SER 15 HG SER 15 7.599 -1.064 -4.969 105 H SER 16 H SER 16 8.991 -0.011 0.113 106 HA SER 16 HA SER 16 11.277 1.192 -1.276 107 HB2 SER 16 HB2 SER 16 11.351 2.788 0.537 108 HB3 SER 16 HB3 SER 16 9.678 2.602 -0.022 109 HG SER 16 HG SER 16 9.851 2.618 2.276 110 H LEU 17 H LEU 17 13.333 0.611 -1.128 111 HA LEU 17 HA LEU 17 14.177 -1.586 0.600 112 HB2 LEU 17 HB2 LEU 17 15.425 0.140 -1.533 113 HB3 LEU 17 HB3 LEU 17 16.443 -0.924 -0.559 114 HG LEU 17 HG LEU 17 15.815 -1.806 -2.773 115 HD11 LEU 17 HD21 LEU 17 16.502 -3.290 -0.916 116 HD12 LEU 17 HD22 LEU 17 15.493 -4.079 -2.152 117 HD13 LEU 17 HD23 LEU 17 14.782 -3.613 -0.588 118 HD21 LEU 17 HD11 LEU 17 13.475 -1.019 -2.967 119 HD22 LEU 17 HD12 LEU 17 13.707 -2.739 -3.362 120 HD23 LEU 17 HD13 LEU 17 12.997 -2.272 -1.797 Start of MODEL 8 1 H1 ASN 1 H1 ASN 1 -11.117 9.540 -1.828 2 H2 ASN 1 H2 ASN 1 -12.352 8.621 -2.417 3 H3 ASN 1 H3 ASN 1 -11.164 7.922 -1.511 4 HA ASN 1 HA ASN 1 -13.188 9.838 -0.651 5 HB2 ASN 1 HB3 ASN 1 -13.831 7.463 -1.114 6 HB3 ASN 1 HB2 ASN 1 -12.803 6.983 0.241 7 HD21 ASN 1 HD21 ASN 1 -13.920 6.570 2.092 8 HD22 ASN 1 HD22 ASN 1 -15.402 7.366 2.573 9 H VAL 2 H VAL 2 -10.086 8.642 0.184 10 HA VAL 2 HA VAL 2 -8.516 9.175 1.663 11 HB VAL 2 HB VAL 2 -10.318 11.484 2.164 12 HG11 VAL 2 HG21 VAL 2 -9.080 11.188 4.301 13 HG12 VAL 2 HG22 VAL 2 -7.555 11.341 3.396 14 HG13 VAL 2 HG23 VAL 2 -8.701 12.702 3.447 15 HG21 VAL 2 HG11 VAL 2 -9.094 11.333 0.000 16 HG22 VAL 2 HG12 VAL 2 -7.563 11.426 0.902 17 HG23 VAL 2 HG13 VAL 2 -8.709 12.787 0.952 18 H HIS 3 H HIS 3 -11.638 9.050 3.158 19 HA HIS 3 HA HIS 3 -10.856 8.264 5.786 20 HB2 HIS 3 HB3 HIS 3 -13.053 9.307 4.878 21 HB3 HIS 3 HB2 HIS 3 -13.541 7.625 4.587 22 HD1 HIS 3 HD1 HIS 3 -15.414 7.623 6.591 23 HD2 HIS 3 HD2 HIS 3 -11.357 8.559 7.634 24 HE1 HIS 3 HE1 HIS 3 -15.114 7.602 9.149 25 H THR 4 H THR 4 -11.984 6.263 3.042 26 HA THR 4 HA THR 4 -11.559 3.755 4.461 27 HB THR 4 HB THR 4 -12.149 2.776 2.182 28 HG1 THR 4 HG1 THR 4 -11.649 4.679 0.958 29 HG21 THR 4 HG21 THR 4 -14.552 3.282 2.317 30 HG22 THR 4 HG22 THR 4 -14.206 4.607 3.456 31 HG23 THR 4 HG23 THR 4 -13.855 2.924 3.916 32 H PHE 5 H PHE 5 -10.218 4.794 1.280 33 HA PHE 5 HA PHE 5 -8.165 4.735 0.346 34 HB2 PHE 5 HB3 PHE 5 -7.495 5.871 2.532 35 HB3 PHE 5 HB2 PHE 5 -6.838 4.305 3.009 36 HD1 PHE 5 HD1 PHE 5 -6.409 7.192 0.752 37 HD2 PHE 5 HD2 PHE 5 -4.722 3.546 2.307 38 HE1 PHE 5 HE1 PHE 5 -4.150 7.954 0.077 39 HE2 PHE 5 HE2 PHE 5 -2.457 4.330 1.666 40 HZ PHE 5 HZ PHE 5 -2.176 6.559 0.569 41 H ARG 6 H ARG 6 -6.908 3.385 -0.732 42 HA ARG 6 HA ARG 6 -7.288 0.502 -0.334 43 HB2 ARG 6 HB2 ARG 6 -7.293 2.008 -2.535 44 HB3 ARG 6 HB3 ARG 6 -5.573 1.607 -2.525 45 HG2 ARG 6 HG3 ARG 6 -7.799 -0.467 -2.484 46 HG3 ARG 6 HG2 ARG 6 -7.029 0.134 -3.962 47 HD2 ARG 6 HD3 ARG 6 -4.830 -0.722 -3.145 48 HD3 ARG 6 HD2 ARG 6 -5.644 -1.381 -1.710 49 HE ARG 6 HE ARG 6 -6.995 -2.403 -3.985 50 HH11 ARG 6 HH11 ARG 6 -5.135 -5.289 -4.419 51 HH12 ARG 6 HH12 ARG 6 -6.624 -4.440 -4.765 52 HH21 ARG 6 HH21 ARG 6 -3.529 -4.353 -3.170 53 HH22 ARG 6 HH22 ARG 6 -3.730 -2.746 -2.509 54 H GLY 7 H GLY 7 -4.338 2.256 -1.232 55 HA2 GLY 7 HA3 GLY 7 -2.744 2.027 1.024 56 HA3 GLY 7 HA2 GLY 7 -2.577 0.455 0.222 57 H ILE 8 H ILE 8 -2.683 3.878 -0.853 58 HA ILE 8 HA ILE 8 -0.679 3.534 -2.918 59 HB ILE 8 HB ILE 8 -1.941 6.009 -1.704 60 HG12 ILE 8 HG13 ILE 8 -3.096 5.839 -4.163 61 HG13 ILE 8 HG12 ILE 8 -2.917 4.123 -3.778 62 HG21 ILE 8 HG21 ILE 8 0.181 6.519 -2.879 63 HG22 ILE 8 HG22 ILE 8 -0.498 5.814 -4.366 64 HG23 ILE 8 HG23 ILE 8 -1.241 7.263 -3.649 65 HD11 ILE 8 HD11 ILE 8 -5.138 4.947 -3.127 66 HD12 ILE 8 HD12 ILE 8 -4.209 4.434 -1.698 67 HD13 ILE 8 HD13 ILE 8 -4.389 6.166 -2.069 68 H ASN 9 H ASN 9 -0.689 5.417 0.131 69 HA ASN 9 HA ASN 9 2.114 5.919 0.266 70 HB2 ASN 9 HB2 ASN 9 0.154 7.102 1.388 71 HB3 ASN 9 HB3 ASN 9 0.257 5.863 2.637 72 HD21 ASN 9 HD21 ASN 9 0.475 8.150 3.812 73 HD22 ASN 9 HD22 ASN 9 2.126 8.659 4.087 74 H GLY 10 H GLY 10 0.182 3.378 1.940 75 HA2 GLY 10 HA2 GLY 10 2.178 2.177 3.511 76 HA3 GLY 10 HA3 GLY 10 0.796 1.317 2.814 77 H HIS 11 H HIS 11 1.313 1.219 0.133 78 HA HIS 11 HA HIS 11 3.387 -0.752 -0.162 79 HB2 HIS 11 HB3 HIS 11 1.541 0.750 -2.023 80 HB3 HIS 11 HB2 HIS 11 2.850 -0.237 -2.692 81 HD1 HIS 11 HD1 HIS 11 2.204 -2.845 -3.053 82 HD2 HIS 11 HD2 HIS 11 -0.154 -0.564 -0.311 83 HE1 HIS 11 HE1 HIS 11 0.162 -4.218 -2.270 84 H ASN 12 H ASN 12 3.343 2.786 -0.938 85 HA ASN 12 HA ASN 12 5.763 2.900 -2.413 86 HB2 ASN 12 HB3 ASN 12 3.988 4.659 -2.235 87 HB3 ASN 12 HB2 ASN 12 4.599 5.052 -0.623 88 HD21 ASN 12 HD21 ASN 12 6.610 6.395 -3.976 89 HD22 ASN 12 HD22 ASN 12 5.367 5.173 -4.120 90 H SER 13 H SER 13 5.382 2.718 1.138 91 HA SER 13 HA SER 13 8.297 3.098 1.519 92 HB2 SER 13 HB3 SER 13 6.350 4.253 2.940 93 HB3 SER 13 HB2 SER 13 6.502 2.754 3.886 94 HG SER 13 HG SER 13 7.936 4.416 4.617 95 H SER 14 H SER 14 5.751 0.639 2.405 96 HA SER 14 HA SER 14 7.725 -1.116 3.514 97 HB2 SER 14 HB3 SER 14 5.397 -1.178 4.240 98 HB3 SER 14 HB2 SER 14 4.965 -1.960 2.704 99 HG SER 14 HG SER 14 5.376 -3.486 4.393 100 H SER 15 H SER 15 6.220 -1.209 0.241 101 HA SER 15 HA SER 15 7.818 -3.459 -0.617 102 HB2 SER 15 HB3 SER 15 5.659 -2.628 -1.653 103 HB3 SER 15 HB2 SER 15 6.594 -1.295 -2.365 104 HG SER 15 HG SER 15 6.397 -3.104 -3.795 105 H SER 16 H SER 16 8.782 -0.113 -0.081 106 HA SER 16 HA SER 16 11.029 -0.201 -1.997 107 HB2 SER 16 HB3 SER 16 9.721 1.892 -1.654 108 HB3 SER 16 HB2 SER 16 10.234 1.917 0.047 109 HG SER 16 HG SER 16 11.570 3.235 -1.304 110 H LEU 17 H LEU 17 12.876 -1.182 -1.504 111 HA LEU 17 HA LEU 17 13.542 -2.044 1.206 112 HB2 LEU 17 HB2 LEU 17 14.757 -2.303 -1.540 113 HB3 LEU 17 HB3 LEU 17 15.677 -2.800 -0.118 114 HG LEU 17 HG LEU 17 14.564 -4.628 -1.324 115 HD11 LEU 17 HD21 LEU 17 15.180 -4.828 1.065 116 HD12 LEU 17 HD22 LEU 17 13.496 -4.445 1.494 117 HD13 LEU 17 HD23 LEU 17 13.863 -5.910 0.552 118 HD21 LEU 17 HD11 LEU 17 12.440 -3.548 -1.998 119 HD22 LEU 17 HD12 LEU 17 12.247 -5.155 -1.256 120 HD23 LEU 17 HD13 LEU 17 11.878 -3.689 -0.315 Start of MODEL 9 1 H1 ASN 1 H1 ASN 1 -8.394 7.561 -2.622 2 H2 ASN 1 H2 ASN 1 -9.567 7.341 -3.760 3 H3 ASN 1 H3 ASN 1 -9.764 6.725 -2.243 4 HA ASN 1 HA ASN 1 -9.668 9.567 -2.979 5 HB2 ASN 1 HB3 ASN 1 -11.716 8.093 -3.551 6 HB3 ASN 1 HB2 ASN 1 -11.992 8.004 -1.807 7 HD21 ASN 1 HD21 ASN 1 -13.797 11.025 -1.716 8 HD22 ASN 1 HD22 ASN 1 -13.408 9.489 -0.975 9 H VAL 2 H VAL 2 -10.187 11.055 -1.215 10 HA VAL 2 HA VAL 2 -8.593 10.643 1.094 11 HB VAL 2 HB VAL 2 -10.652 12.800 0.669 12 HG11 VAL 2 HG11 VAL 2 -9.925 12.643 3.052 13 HG12 VAL 2 HG12 VAL 2 -9.465 14.172 2.268 14 HG13 VAL 2 HG13 VAL 2 -8.245 12.901 2.524 15 HG21 VAL 2 HG21 VAL 2 -8.914 12.771 -1.125 16 HG22 VAL 2 HG22 VAL 2 -7.665 12.974 0.126 17 HG23 VAL 2 HG23 VAL 2 -8.884 14.245 -0.130 18 H HIS 3 H HIS 3 -12.164 10.338 0.850 19 HA HIS 3 HA HIS 3 -12.595 9.882 3.651 20 HB2 HIS 3 HB3 HIS 3 -14.222 10.577 1.716 21 HB3 HIS 3 HB2 HIS 3 -14.455 8.824 1.539 22 HD1 HIS 3 HD1 HIS 3 -17.022 8.937 2.533 23 HD2 HIS 3 HD2 HIS 3 -13.823 10.336 5.027 24 HE1 HIS 3 HE1 HIS 3 -17.845 9.262 4.950 25 H THR 4 H THR 4 -12.147 7.561 0.975 26 HA THR 4 HA THR 4 -12.406 5.249 2.759 27 HB THR 4 HB THR 4 -12.097 3.982 0.573 28 HG1 THR 4 HG1 THR 4 -12.501 6.533 -0.602 29 HG21 THR 4 HG21 THR 4 -14.362 4.408 -0.280 30 HG22 THR 4 HG22 THR 4 -14.463 5.874 0.726 31 HG23 THR 4 HG23 THR 4 -14.334 4.274 1.495 32 H PHE 5 H PHE 5 -9.968 5.802 0.197 33 HA PHE 5 HA PHE 5 -7.740 5.560 0.044 34 HB2 PHE 5 HB3 PHE 5 -7.632 5.795 3.046 35 HB3 PHE 5 HB2 PHE 5 -6.217 5.568 2.022 36 HD1 PHE 5 HD1 PHE 5 -5.949 7.235 -0.017 37 HD2 PHE 5 HD2 PHE 5 -7.847 8.036 3.766 38 HE1 PHE 5 HE1 PHE 5 -5.257 9.620 -0.179 39 HE2 PHE 5 HE2 PHE 5 -7.114 10.394 3.630 40 HZ PHE 5 HZ PHE 5 -5.811 11.191 1.664 41 H ARG 6 H ARG 6 -6.823 3.837 -0.720 42 HA ARG 6 HA ARG 6 -7.437 1.166 0.345 43 HB2 ARG 6 HB3 ARG 6 -7.137 2.247 -2.173 44 HB3 ARG 6 HB2 ARG 6 -5.577 1.452 -1.938 45 HG2 ARG 6 HG2 ARG 6 -6.863 -0.146 -3.054 46 HG3 ARG 6 HG3 ARG 6 -6.901 -0.671 -1.364 47 HD2 ARG 6 HD2 ARG 6 -9.173 0.279 -1.111 48 HD3 ARG 6 HD3 ARG 6 -9.133 0.849 -2.792 49 HE ARG 6 HE ARG 6 -9.448 -1.369 -3.557 50 HH11 ARG 6 HH11 ARG 6 -10.341 -4.170 -1.741 51 HH12 ARG 6 HH12 ARG 6 -10.207 -3.426 -3.319 52 HH21 ARG 6 HH21 ARG 6 -9.753 -3.064 0.113 53 HH22 ARG 6 HH22 ARG 6 -9.144 -1.427 0.027 54 H GLY 7 H GLY 7 -4.366 2.439 -0.926 55 HA2 GLY 7 HA3 GLY 7 -2.806 2.473 1.429 56 HA3 GLY 7 HA2 GLY 7 -2.667 0.840 0.747 57 H ILE 8 H ILE 8 -2.682 4.214 -0.471 58 HA ILE 8 HA ILE 8 -0.825 3.742 -2.629 59 HB ILE 8 HB ILE 8 -1.805 6.305 -1.344 60 HG12 ILE 8 HG13 ILE 8 -3.158 6.232 -3.699 61 HG13 ILE 8 HG12 ILE 8 -3.089 4.506 -3.323 62 HG21 ILE 8 HG21 ILE 8 0.254 6.639 -2.686 63 HG22 ILE 8 HG22 ILE 8 -0.596 5.992 -4.110 64 HG23 ILE 8 HG23 ILE 8 -1.159 7.498 -3.345 65 HD11 ILE 8 HD11 ILE 8 -5.182 5.503 -2.505 66 HD12 ILE 8 HD12 ILE 8 -4.190 4.914 -1.150 67 HD13 ILE 8 HD13 ILE 8 -4.258 6.655 -1.512 68 H ASN 9 H ASN 9 -0.493 5.623 0.394 69 HA ASN 9 HA ASN 9 2.344 5.928 0.327 70 HB2 ASN 9 HB2 ASN 9 0.538 7.265 1.545 71 HB3 ASN 9 HB3 ASN 9 0.655 6.051 2.818 72 HD21 ASN 9 HD21 ASN 9 1.101 8.343 3.911 73 HD22 ASN 9 HD22 ASN 9 2.796 8.754 4.053 74 H GLY 10 H GLY 10 0.357 3.556 2.175 75 HA2 GLY 10 HA2 GLY 10 2.341 2.269 3.677 76 HA3 GLY 10 HA3 GLY 10 0.889 1.475 3.051 77 H HIS 11 H HIS 11 1.282 1.255 0.379 78 HA HIS 11 HA HIS 11 3.289 -0.798 0.075 79 HB2 HIS 11 HB2 HIS 11 1.393 0.641 -1.793 80 HB3 HIS 11 HB3 HIS 11 2.584 -0.507 -2.422 81 HD1 HIS 11 HD1 HIS 11 -0.607 -0.473 -0.120 82 HD2 HIS 11 HD2 HIS 11 2.064 -3.048 -2.257 83 HE1 HIS 11 HE1 HIS 11 -1.547 -2.869 -0.203 84 H ASN 12 H ASN 12 3.221 2.694 -0.947 85 HA ASN 12 HA ASN 12 5.567 2.663 -2.534 86 HB2 ASN 12 HB2 ASN 12 3.859 4.479 -2.370 87 HB3 ASN 12 HB3 ASN 12 4.573 4.966 -0.827 88 HD21 ASN 12 HD21 ASN 12 7.085 6.957 -2.326 89 HD22 ASN 12 HD22 ASN 12 6.259 6.450 -0.869 90 H SER 13 H SER 13 5.338 2.820 1.009 91 HA SER 13 HA SER 13 8.219 3.221 1.417 92 HB2 SER 13 HB2 SER 13 7.521 3.343 3.801 93 HB3 SER 13 HB3 SER 13 6.539 4.415 2.785 94 HG SER 13 HG SER 13 5.025 3.409 3.950 95 H SER 14 H SER 14 5.818 0.641 2.363 96 HA SER 14 HA SER 14 7.902 -1.027 3.401 97 HB2 SER 14 HB3 SER 14 5.636 -1.123 4.283 98 HB3 SER 14 HB2 SER 14 5.114 -1.948 2.798 99 HG SER 14 HG SER 14 5.666 -3.426 4.489 100 H SER 15 H SER 15 6.224 -1.210 0.217 101 HA SER 15 HA SER 15 7.802 -3.471 -0.652 102 HB2 SER 15 HB3 SER 15 6.458 -1.377 -2.398 103 HB3 SER 15 HB2 SER 15 7.037 -2.973 -2.914 104 HG SER 15 HG SER 15 4.769 -2.948 -2.485 105 H SER 16 H SER 16 8.743 -0.075 -0.290 106 HA SER 16 HA SER 16 11.013 -0.369 -2.185 107 HB2 SER 16 HB3 SER 16 9.645 1.709 -2.260 108 HB3 SER 16 HB2 SER 16 10.096 2.051 -0.575 109 HG SER 16 HG SER 16 11.457 3.140 -2.096 110 H LEU 17 H LEU 17 12.560 -1.635 -1.300 111 HA LEU 17 HA LEU 17 13.232 -1.583 1.552 112 HB2 LEU 17 HB2 LEU 17 14.167 -3.069 -0.899 113 HB3 LEU 17 HB3 LEU 17 15.090 -3.178 0.603 114 HG LEU 17 HG LEU 17 13.565 -5.061 0.171 115 HD11 LEU 17 HD11 LEU 17 14.351 -4.493 2.447 116 HD12 LEU 17 HD12 LEU 17 12.807 -3.656 2.732 117 HD13 LEU 17 HD13 LEU 17 12.824 -5.406 2.403 118 HD21 LEU 17 HD21 LEU 17 11.613 -3.906 -0.820 119 HD22 LEU 17 HD22 LEU 17 11.191 -3.309 0.802 120 HD23 LEU 17 HD23 LEU 17 11.208 -5.059 0.474 Start of MODEL 10 1 H1 ASN 1 H1 ASN 1 -10.812 -6.164 3.048 2 H2 ASN 1 H2 ASN 1 -10.554 -6.298 4.671 3 H3 ASN 1 H3 ASN 1 -9.553 -7.068 3.610 4 HA ASN 1 HA ASN 1 -9.848 -4.196 4.039 5 HB2 ASN 1 HB3 ASN 1 -8.632 -5.754 5.679 6 HB3 ASN 1 HB2 ASN 1 -7.355 -5.825 4.461 7 HD21 ASN 1 HD21 ASN 1 -5.851 -4.128 4.327 8 HD22 ASN 1 HD22 ASN 1 -5.907 -2.723 5.368 9 H VAL 2 H VAL 2 -9.272 -6.262 1.518 10 HA VAL 2 HA VAL 2 -7.342 -4.635 0.047 11 HB VAL 2 HB VAL 2 -8.851 -7.092 -0.850 12 HG11 VAL 2 HG11 VAL 2 -8.104 -5.698 -2.779 13 HG12 VAL 2 HG12 VAL 2 -7.318 -7.293 -2.712 14 HG13 VAL 2 HG13 VAL 2 -6.430 -5.841 -2.195 15 HG21 VAL 2 HG21 VAL 2 -7.242 -7.568 0.998 16 HG22 VAL 2 HG22 VAL 2 -6.821 -8.372 -0.534 17 HG23 VAL 2 HG23 VAL 2 -5.932 -6.919 -0.017 18 H HIS 3 H HIS 3 -10.801 -5.511 -0.523 19 HA HIS 3 HA HIS 3 -11.285 -3.673 -2.626 20 HB2 HIS 3 HB3 HIS 3 -12.611 -5.741 -1.699 21 HB3 HIS 3 HB2 HIS 3 -13.463 -4.517 -0.736 22 HD1 HIS 3 HD1 HIS 3 -15.788 -4.820 -2.183 23 HD2 HIS 3 HD2 HIS 3 -12.231 -3.642 -4.280 24 HE1 HIS 3 HE1 HIS 3 -16.370 -4.009 -4.557 25 H THR 4 H THR 4 -11.834 -3.210 0.867 26 HA THR 4 HA THR 4 -12.971 -0.568 0.627 27 HB THR 4 HB THR 4 -12.628 -0.563 3.145 28 HG1 THR 4 HG1 THR 4 -11.896 -3.277 2.755 29 HG21 THR 4 HG21 THR 4 -14.379 -2.214 3.652 30 HG22 THR 4 HG22 THR 4 -14.214 -2.889 2.014 31 HG23 THR 4 HG23 THR 4 -14.792 -1.220 2.235 32 H PHE 5 H PHE 5 -9.894 -1.525 2.242 33 HA PHE 5 HA PHE 5 -8.795 1.184 1.846 34 HB2 PHE 5 HB3 PHE 5 -7.754 -1.251 3.343 35 HB3 PHE 5 HB2 PHE 5 -6.854 0.260 3.184 36 HD1 PHE 5 HD1 PHE 5 -9.750 -1.389 4.815 37 HD2 PHE 5 HD2 PHE 5 -7.537 2.291 4.405 38 HE1 PHE 5 HE1 PHE 5 -10.914 -0.461 6.794 39 HE2 PHE 5 HE2 PHE 5 -8.699 3.209 6.393 40 HZ PHE 5 HZ PHE 5 -10.393 1.833 7.583 41 H ARG 6 H ARG 6 -7.409 1.776 0.328 42 HA ARG 6 HA ARG 6 -6.522 -0.105 -1.736 43 HB2 ARG 6 HB3 ARG 6 -7.343 2.510 -1.711 44 HB3 ARG 6 HB2 ARG 6 -5.590 2.709 -1.770 45 HG2 ARG 6 HG2 ARG 6 -6.070 2.765 -3.997 46 HG3 ARG 6 HG3 ARG 6 -5.736 1.041 -3.799 47 HD2 ARG 6 HD3 ARG 6 -8.560 2.159 -3.735 48 HD3 ARG 6 HD2 ARG 6 -7.747 1.712 -5.248 49 HE ARG 6 HE ARG 6 -7.554 -0.518 -3.520 50 HH11 ARG 6 HH11 ARG 6 -8.900 -2.264 -3.695 51 HH12 ARG 6 HH12 ARG 6 -10.477 -2.124 -4.438 52 HH21 ARG 6 HH21 ARG 6 -10.206 1.261 -5.176 53 HH22 ARG 6 HH22 ARG 6 -11.202 -0.174 -5.260 54 H GLY 7 H GLY 7 -4.709 2.495 -0.105 55 HA2 GLY 7 HA3 GLY 7 -2.743 2.177 1.279 56 HA3 GLY 7 HA2 GLY 7 -2.438 0.638 0.453 57 H ILE 8 H ILE 8 -2.788 4.115 -0.362 58 HA ILE 8 HA ILE 8 -0.988 4.021 -2.630 59 HB ILE 8 HB ILE 8 -2.133 6.347 -1.061 60 HG12 ILE 8 HG13 ILE 8 -3.549 6.405 -3.377 61 HG13 ILE 8 HG12 ILE 8 -3.317 4.662 -3.201 62 HG21 ILE 8 HG21 ILE 8 -0.150 6.994 -2.403 63 HG22 ILE 8 HG22 ILE 8 -1.649 7.790 -2.938 64 HG23 ILE 8 HG23 ILE 8 -0.985 6.425 -3.869 65 HD11 ILE 8 HD11 ILE 8 -5.462 5.369 -2.230 66 HD12 ILE 8 HD12 ILE 8 -4.380 4.725 -0.973 67 HD13 ILE 8 HD13 ILE 8 -4.612 6.483 -1.133 68 H ASN 9 H ASN 9 -0.712 5.602 0.568 69 HA ASN 9 HA ASN 9 2.092 6.134 0.444 70 HB2 ASN 9 HB2 ASN 9 0.226 7.219 1.821 71 HB3 ASN 9 HB3 ASN 9 0.505 5.929 2.991 72 HD21 ASN 9 HD21 ASN 9 2.464 8.709 4.345 73 HD22 ASN 9 HD22 ASN 9 0.806 8.160 4.242 74 H GLY 10 H GLY 10 0.356 3.444 2.130 75 HA2 GLY 10 HA2 GLY 10 2.604 2.236 3.388 76 HA3 GLY 10 HA3 GLY 10 1.140 1.375 2.874 77 H HIS 11 H HIS 11 1.177 1.180 0.165 78 HA HIS 11 HA HIS 11 3.245 -0.613 -0.514 79 HB2 HIS 11 HB2 HIS 11 1.322 1.039 -2.144 80 HB3 HIS 11 HB3 HIS 11 2.535 0.026 -2.946 81 HD1 HIS 11 HD1 HIS 11 -0.575 -0.395 -0.546 82 HD2 HIS 11 HD2 HIS 11 2.079 -2.515 -3.149 83 HE1 HIS 11 HE1 HIS 11 -1.401 -2.809 -0.896 84 H ASN 12 H ASN 12 3.306 3.013 -0.860 85 HA ASN 12 HA ASN 12 5.749 2.890 -2.414 86 HB2 ASN 12 HB3 ASN 12 4.222 4.847 -2.465 87 HB3 ASN 12 HB2 ASN 12 4.789 5.280 -0.844 88 HD21 ASN 12 HD21 ASN 12 7.141 6.071 -4.142 89 HD22 ASN 12 HD22 ASN 12 5.710 5.077 -4.284 90 H SER 13 H SER 13 5.077 2.973 1.067 91 HA SER 13 HA SER 13 7.724 3.102 2.141 92 HB2 SER 13 HB3 SER 13 5.345 3.302 3.258 93 HB3 SER 13 HB2 SER 13 5.516 1.549 3.498 94 HG SER 13 HG SER 13 6.355 2.775 5.273 95 H SER 14 H SER 14 6.088 0.781 0.534 96 HA SER 14 HA SER 14 6.515 -1.024 -0.723 97 HB2 SER 14 HB3 SER 14 8.854 -0.604 -0.413 98 HB3 SER 14 HB2 SER 14 8.806 -1.482 1.121 99 HG SER 14 HG SER 14 9.599 -2.766 -0.607 100 H SER 15 H SER 15 4.707 -0.547 0.942 101 HA SER 15 HA SER 15 3.064 -1.185 2.217 102 HB2 SER 15 HB2 SER 15 2.650 -2.372 0.365 103 HB3 SER 15 HB3 SER 15 3.921 -3.566 0.684 104 HG SER 15 HG SER 15 1.808 -4.400 1.052 105 H SER 16 H SER 16 5.384 -0.384 3.332 106 HA SER 16 HA SER 16 5.960 -2.055 5.710 107 HB2 SER 16 HB3 SER 16 7.252 0.344 4.376 108 HB3 SER 16 HB2 SER 16 7.683 -0.108 6.040 109 HG SER 16 HG SER 16 9.048 -1.114 4.465 110 H LEU 17 H LEU 17 4.631 -1.853 7.394 111 HA LEU 17 HA LEU 17 2.963 0.496 7.861 112 HB2 LEU 17 HB2 LEU 17 3.419 -2.169 9.194 113 HB3 LEU 17 HB3 LEU 17 2.441 -0.936 9.992 114 HG LEU 17 HG LEU 17 1.157 -2.660 8.816 115 HD11 LEU 17 HD21 LEU 17 0.211 -0.416 9.259 116 HD12 LEU 17 HD22 LEU 17 -0.546 -1.277 7.898 117 HD13 LEU 17 HD23 LEU 17 0.609 0.041 7.585 118 HD21 LEU 17 HD11 LEU 17 2.578 -3.066 6.831 119 HD22 LEU 17 HD12 LEU 17 0.851 -2.842 6.465 120 HD23 LEU 17 HD13 LEU 17 2.006 -1.524 6.152 Start of MODEL 11 1 H1 ASN 1 H1 ASN 1 -9.000 7.304 -2.721 2 H2 ASN 1 H2 ASN 1 -10.315 7.026 -3.678 3 H3 ASN 1 H3 ASN 1 -10.358 6.621 -2.079 4 HA ASN 1 HA ASN 1 -10.200 9.330 -3.202 5 HB2 ASN 1 HB3 ASN 1 -12.374 7.985 -3.357 6 HB3 ASN 1 HB2 ASN 1 -12.434 8.047 -1.593 7 HD21 ASN 1 HD21 ASN 1 -12.548 10.089 -4.550 8 HD22 ASN 1 HD22 ASN 1 -13.424 11.406 -3.802 9 H VAL 2 H VAL 2 -10.449 11.077 -1.581 10 HA VAL 2 HA VAL 2 -8.558 10.896 0.512 11 HB VAL 2 HB VAL 2 -10.653 13.031 0.154 12 HG11 VAL 2 HG21 VAL 2 -9.581 13.124 2.407 13 HG12 VAL 2 HG22 VAL 2 -7.998 13.287 1.611 14 HG13 VAL 2 HG23 VAL 2 -9.236 14.548 1.395 15 HG21 VAL 2 HG11 VAL 2 -9.200 12.769 -1.861 16 HG22 VAL 2 HG12 VAL 2 -7.779 13.084 -0.837 17 HG23 VAL 2 HG13 VAL 2 -9.017 14.344 -1.053 18 H HIS 3 H HIS 3 -12.123 10.627 0.827 19 HA HIS 3 HA HIS 3 -12.130 10.477 3.699 20 HB2 HIS 3 HB3 HIS 3 -14.024 11.021 1.966 21 HB3 HIS 3 HB2 HIS 3 -14.302 9.267 2.007 22 HD1 HIS 3 HD1 HIS 3 -16.691 9.560 3.353 23 HD2 HIS 3 HD2 HIS 3 -13.128 11.092 5.192 24 HE1 HIS 3 HE1 HIS 3 -17.133 10.146 5.822 25 H THR 4 H THR 4 -12.117 7.900 1.228 26 HA THR 4 HA THR 4 -12.139 5.774 3.244 27 HB THR 4 HB THR 4 -12.174 4.299 1.171 28 HG1 THR 4 HG1 THR 4 -12.705 6.739 -0.177 29 HG21 THR 4 HG21 THR 4 -14.533 4.709 0.615 30 HG22 THR 4 HG22 THR 4 -14.248 4.740 2.371 31 HG23 THR 4 HG23 THR 4 -14.464 6.265 1.478 32 H PHE 5 H PHE 5 -10.099 5.994 0.311 33 HA PHE 5 HA PHE 5 -7.924 5.667 -0.137 34 HB2 PHE 5 HB3 PHE 5 -7.376 6.238 2.770 35 HB3 PHE 5 HB2 PHE 5 -6.125 5.854 1.590 36 HD1 PHE 5 HD1 PHE 5 -6.196 7.277 -0.672 37 HD2 PHE 5 HD2 PHE 5 -7.422 8.547 3.259 38 HE1 PHE 5 HE1 PHE 5 -5.495 9.603 -1.208 39 HE2 PHE 5 HE2 PHE 5 -6.687 10.849 2.740 40 HZ PHE 5 HZ PHE 5 -5.711 11.383 0.512 41 H ARG 6 H ARG 6 -7.077 3.850 -0.806 42 HA ARG 6 HA ARG 6 -7.675 1.317 0.514 43 HB2 ARG 6 HB2 ARG 6 -7.361 2.222 -2.074 44 HB3 ARG 6 HB3 ARG 6 -5.868 1.311 -1.822 45 HG2 ARG 6 HG3 ARG 6 -8.666 0.192 -1.410 46 HG3 ARG 6 HG2 ARG 6 -7.723 0.025 -2.899 47 HD2 ARG 6 HD3 ARG 6 -5.985 -1.245 -1.649 48 HD3 ARG 6 HD2 ARG 6 -6.965 -1.109 -0.177 49 HE ARG 6 HE ARG 6 -7.502 -2.840 -2.519 50 HH11 ARG 6 HH11 ARG 6 -8.764 -1.651 0.634 51 HH12 ARG 6 HH12 ARG 6 -9.921 -2.959 0.732 52 HH21 ARG 6 HH21 ARG 6 -9.000 -4.441 -2.279 53 HH22 ARG 6 HH22 ARG 6 -10.051 -4.502 -0.881 54 H GLY 7 H GLY 7 -4.559 2.551 -0.747 55 HA2 GLY 7 HA3 GLY 7 -3.018 2.633 1.578 56 HA3 GLY 7 HA2 GLY 7 -2.932 0.945 1.033 57 H ILE 8 H ILE 8 -2.814 4.198 -0.478 58 HA ILE 8 HA ILE 8 -0.937 3.473 -2.547 59 HB ILE 8 HB ILE 8 -1.845 6.175 -1.517 60 HG12 ILE 8 HG13 ILE 8 -3.160 5.942 -3.881 61 HG13 ILE 8 HG12 ILE 8 -3.156 4.251 -3.361 62 HG21 ILE 8 HG21 ILE 8 0.251 6.310 -2.835 63 HG22 ILE 8 HG22 ILE 8 -0.595 5.567 -4.214 64 HG23 ILE 8 HG23 ILE 8 -1.115 7.156 -3.602 65 HD11 ILE 8 HD11 ILE 8 -5.228 5.384 -2.667 66 HD12 ILE 8 HD12 ILE 8 -4.278 4.878 -1.250 67 HD13 ILE 8 HD13 ILE 8 -4.281 6.584 -1.756 68 H ASN 9 H ASN 9 -0.575 5.652 0.267 69 HA ASN 9 HA ASN 9 2.221 5.956 0.275 70 HB2 ASN 9 HB2 ASN 9 0.363 7.219 1.487 71 HB3 ASN 9 HB3 ASN 9 0.516 6.008 2.759 72 HD21 ASN 9 HD21 ASN 9 2.546 8.784 4.017 73 HD22 ASN 9 HD22 ASN 9 0.869 8.309 3.862 74 H GLY 10 H GLY 10 0.320 3.504 2.091 75 HA2 GLY 10 HA2 GLY 10 2.351 2.285 3.605 76 HA3 GLY 10 HA3 GLY 10 0.921 1.447 2.983 77 H HIS 11 H HIS 11 1.329 1.301 0.286 78 HA HIS 11 HA HIS 11 3.364 -0.712 -0.055 79 HB2 HIS 11 HB2 HIS 11 1.461 0.750 -1.894 80 HB3 HIS 11 HB3 HIS 11 2.681 -0.347 -2.554 81 HD1 HIS 11 HD1 HIS 11 -0.524 -0.466 -0.271 82 HD2 HIS 11 HD2 HIS 11 2.215 -2.902 -2.486 83 HE1 HIS 11 HE1 HIS 11 -1.403 -2.881 -0.441 84 H ASN 12 H ASN 12 3.276 2.811 -0.970 85 HA ASN 12 HA ASN 12 5.638 2.845 -2.535 86 HB2 ASN 12 HB2 ASN 12 4.493 5.030 -0.788 87 HB3 ASN 12 HB3 ASN 12 5.844 5.269 -1.893 88 HD21 ASN 12 HD21 ASN 12 3.590 4.991 -4.842 89 HD22 ASN 12 HD22 ASN 12 5.052 4.203 -4.292 90 H SER 13 H SER 13 5.397 2.786 0.998 91 HA SER 13 HA SER 13 8.286 3.220 1.417 92 HB2 SER 13 HB2 SER 13 7.583 3.328 3.799 93 HB3 SER 13 HB3 SER 13 6.610 4.416 2.794 94 HG SER 13 HG SER 13 5.089 3.407 3.951 95 H SER 14 H SER 14 5.847 0.659 2.321 96 HA SER 14 HA SER 14 7.898 -1.053 3.349 97 HB2 SER 14 HB3 SER 14 5.612 -1.132 4.190 98 HB3 SER 14 HB2 SER 14 5.110 -1.934 2.686 99 HG SER 14 HG SER 14 5.614 -3.436 4.368 100 H SER 15 H SER 15 6.284 -1.139 0.135 101 HA SER 15 HA SER 15 7.808 -3.426 -0.756 102 HB2 SER 15 HB3 SER 15 6.571 -1.242 -2.471 103 HB3 SER 15 HB2 SER 15 7.114 -2.839 -3.022 104 HG SER 15 HG SER 15 4.839 -2.759 -2.639 105 H SER 16 H SER 16 8.854 -0.075 -0.286 106 HA SER 16 HA SER 16 11.163 -0.404 -2.129 107 HB2 SER 16 HB3 SER 16 10.181 2.003 -0.537 108 HB3 SER 16 HB2 SER 16 11.636 1.993 -1.558 109 HG SER 16 HG SER 16 9.772 2.793 -2.672 110 H LEU 17 H LEU 17 12.650 -1.724 -1.228 111 HA LEU 17 HA LEU 17 13.235 -1.759 1.642 112 HB2 LEU 17 HB2 LEU 17 14.205 -3.212 -0.812 113 HB3 LEU 17 HB3 LEU 17 15.075 -3.382 0.713 114 HG LEU 17 HG LEU 17 13.514 -5.210 0.189 115 HD11 LEU 17 HD11 LEU 17 14.240 -4.718 2.503 116 HD12 LEU 17 HD12 LEU 17 12.710 -3.843 2.756 117 HD13 LEU 17 HD13 LEU 17 12.690 -5.584 2.386 118 HD21 LEU 17 HD21 LEU 17 11.628 -3.978 -0.838 119 HD22 LEU 17 HD22 LEU 17 11.148 -5.148 0.414 120 HD23 LEU 17 HD23 LEU 17 11.168 -3.407 0.784 Start of MODEL 12 1 H1 ASN 1 H1 ASN 1 -7.292 -4.405 4.461 2 H2 ASN 1 H2 ASN 1 -8.460 -5.046 5.433 3 H3 ASN 1 H3 ASN 1 -8.757 -3.659 4.593 4 HA ASN 1 HA ASN 1 -8.320 -6.330 3.470 5 HB2 ASN 1 HB2 ASN 1 -10.509 -5.738 4.681 6 HB3 ASN 1 HB3 ASN 1 -10.839 -4.644 3.333 7 HD21 ASN 1 HD21 ASN 1 -12.114 -5.498 1.727 8 HD22 ASN 1 HD22 ASN 1 -12.273 -7.203 1.372 9 H VAL 2 H VAL 2 -8.639 -6.531 1.187 10 HA VAL 2 HA VAL 2 -7.219 -4.551 -0.331 11 HB VAL 2 HB VAL 2 -8.604 -7.038 -1.318 12 HG11 VAL 2 HG11 VAL 2 -8.136 -5.441 -3.179 13 HG12 VAL 2 HG12 VAL 2 -7.233 -6.968 -3.306 14 HG13 VAL 2 HG13 VAL 2 -6.411 -5.493 -2.745 15 HG21 VAL 2 HG21 VAL 2 -6.799 -7.523 0.338 16 HG22 VAL 2 HG22 VAL 2 -6.465 -8.164 -1.289 17 HG23 VAL 2 HG23 VAL 2 -5.643 -6.688 -0.728 18 H HIS 3 H HIS 3 -10.696 -5.506 -0.530 19 HA HIS 3 HA HIS 3 -11.399 -3.729 -2.628 20 HB2 HIS 3 HB3 HIS 3 -12.607 -5.796 -1.569 21 HB3 HIS 3 HB2 HIS 3 -13.398 -4.573 -0.553 22 HD1 HIS 3 HD1 HIS 3 -15.829 -4.902 -1.802 23 HD2 HIS 3 HD2 HIS 3 -12.463 -3.752 -4.204 24 HE1 HIS 3 HE1 HIS 3 -16.608 -4.136 -4.135 25 H THR 4 H THR 4 -11.693 -3.182 0.890 26 HA THR 4 HA THR 4 -12.819 -0.517 0.555 27 HB THR 4 HB THR 4 -12.599 -0.473 3.085 28 HG1 THR 4 HG1 THR 4 -12.218 -2.440 4.116 29 HG21 THR 4 HG21 THR 4 -14.451 -2.030 3.529 30 HG22 THR 4 HG22 THR 4 -14.235 -2.744 1.914 31 HG23 THR 4 HG23 THR 4 -14.741 -1.045 2.075 32 H PHE 5 H PHE 5 -9.860 -1.564 2.331 33 HA PHE 5 HA PHE 5 -8.652 1.088 2.106 34 HB2 PHE 5 HB3 PHE 5 -7.556 -1.523 3.218 35 HB3 PHE 5 HB2 PHE 5 -6.717 0.028 3.279 36 HD1 PHE 5 HD1 PHE 5 -7.030 1.446 5.177 37 HD2 PHE 5 HD2 PHE 5 -9.810 -1.755 4.418 38 HE1 PHE 5 HE1 PHE 5 -8.037 1.779 7.416 39 HE2 PHE 5 HE2 PHE 5 -10.834 -1.397 6.664 40 HZ PHE 5 HZ PHE 5 -9.929 0.365 8.158 41 H ARG 6 H ARG 6 -7.347 1.829 0.575 42 HA ARG 6 HA ARG 6 -6.511 0.109 -1.653 43 HB2 ARG 6 HB2 ARG 6 -7.491 2.609 -1.548 44 HB3 ARG 6 HB3 ARG 6 -5.769 3.001 -1.544 45 HG2 ARG 6 HG3 ARG 6 -7.136 1.309 -3.670 46 HG3 ARG 6 HG2 ARG 6 -6.873 3.055 -3.796 47 HD2 ARG 6 HD3 ARG 6 -4.403 2.665 -3.639 48 HD3 ARG 6 HD2 ARG 6 -4.712 0.918 -3.627 49 HE ARG 6 HE ARG 6 -4.962 2.753 -5.936 50 HH11 ARG 6 HH11 ARG 6 -5.599 -1.225 -6.385 51 HH12 ARG 6 HH12 ARG 6 -5.489 -0.602 -4.754 52 HH21 ARG 6 HH21 ARG 6 -5.393 0.135 -8.150 53 HH22 ARG 6 HH22 ARG 6 -5.116 1.850 -7.942 54 H GLY 7 H GLY 7 -4.713 2.632 0.112 55 HA2 GLY 7 HA3 GLY 7 -2.680 2.372 1.342 56 HA3 GLY 7 HA2 GLY 7 -2.412 0.805 0.555 57 H ILE 8 H ILE 8 -2.758 4.267 -0.352 58 HA ILE 8 HA ILE 8 -1.040 4.073 -2.679 59 HB ILE 8 HB ILE 8 -2.081 6.474 -1.149 60 HG12 ILE 8 HG13 ILE 8 -3.570 6.482 -3.424 61 HG13 ILE 8 HG12 ILE 8 -3.374 4.741 -3.185 62 HG21 ILE 8 HG21 ILE 8 -0.131 7.029 -2.576 63 HG22 ILE 8 HG22 ILE 8 -1.628 7.839 -3.091 64 HG23 ILE 8 HG23 ILE 8 -1.024 6.429 -3.994 65 HD11 ILE 8 HD11 ILE 8 -5.467 5.540 -2.176 66 HD12 ILE 8 HD12 ILE 8 -4.359 4.920 -0.929 67 HD13 ILE 8 HD13 ILE 8 -4.554 6.675 -1.152 68 H ASN 9 H ASN 9 -0.621 5.781 0.436 69 HA ASN 9 HA ASN 9 2.231 6.109 0.195 70 HB2 ASN 9 HB2 ASN 9 0.489 7.517 1.445 71 HB3 ASN 9 HB3 ASN 9 0.669 6.352 2.756 72 HD21 ASN 9 HD21 ASN 9 1.191 8.687 3.726 73 HD22 ASN 9 HD22 ASN 9 2.894 9.084 3.761 74 H GLY 10 H GLY 10 0.260 3.826 2.155 75 HA2 GLY 10 HA2 GLY 10 2.243 2.552 3.663 76 HA3 GLY 10 HA3 GLY 10 0.776 1.759 3.071 77 H HIS 11 H HIS 11 1.134 1.429 0.410 78 HA HIS 11 HA HIS 11 3.113 -0.650 0.158 79 HB2 HIS 11 HB2 HIS 11 1.274 0.787 -1.774 80 HB3 HIS 11 HB3 HIS 11 2.420 -0.436 -2.339 81 HD1 HIS 11 HD1 HIS 11 -0.785 -0.169 -0.075 82 HD2 HIS 11 HD2 HIS 11 1.773 -2.941 -2.099 83 HE1 HIS 11 HE1 HIS 11 -1.870 -2.503 -0.134 84 H ASN 12 H ASN 12 3.116 2.812 -0.920 85 HA ASN 12 HA ASN 12 5.434 2.734 -2.541 86 HB2 ASN 12 HB3 ASN 12 3.745 4.565 -2.396 87 HB3 ASN 12 HB2 ASN 12 4.459 5.054 -0.855 88 HD21 ASN 12 HD21 ASN 12 5.043 4.875 -4.387 89 HD22 ASN 12 HD22 ASN 12 6.320 6.070 -4.404 90 H SER 13 H SER 13 5.330 2.850 1.036 91 HA SER 13 HA SER 13 8.283 3.068 1.111 92 HB2 SER 13 HB3 SER 13 6.128 3.882 3.022 93 HB3 SER 13 HB2 SER 13 7.707 3.404 3.688 94 HG SER 13 HG SER 13 7.603 5.659 3.180 95 H SER 14 H SER 14 5.658 0.882 2.425 96 HA SER 14 HA SER 14 7.609 -0.813 3.675 97 HB2 SER 14 HB3 SER 14 5.322 -0.675 4.505 98 HB3 SER 14 HB2 SER 14 4.772 -1.594 3.087 99 HG SER 14 HG SER 14 5.188 -2.947 4.916 100 H SER 15 H SER 15 5.921 -1.255 0.508 101 HA SER 15 HA SER 15 7.409 -3.657 -0.113 102 HB2 SER 15 HB3 SER 15 6.065 -1.700 -2.017 103 HB3 SER 15 HB2 SER 15 6.615 -3.340 -2.418 104 HG SER 15 HG SER 15 4.361 -3.256 -1.925 105 H SER 16 H SER 16 8.514 -0.333 -0.068 106 HA SER 16 HA SER 16 10.622 -0.720 -2.095 107 HB2 SER 16 HB3 SER 16 9.406 1.447 -1.878 108 HB3 SER 16 HB2 SER 16 10.048 1.623 -0.230 109 HG SER 16 HG SER 16 11.320 2.743 -1.804 110 H LEU 17 H LEU 17 12.477 -1.700 -1.630 111 HA LEU 17 HA LEU 17 13.270 -2.361 1.077 112 HB2 LEU 17 HB2 LEU 17 14.349 -2.875 -1.671 113 HB3 LEU 17 HB3 LEU 17 15.326 -3.275 -0.257 114 HG LEU 17 HG LEU 17 14.091 -5.157 -1.249 115 HD11 LEU 17 HD11 LEU 17 14.867 -5.173 1.100 116 HD12 LEU 17 HD12 LEU 17 13.496 -6.259 0.769 117 HD13 LEU 17 HD13 LEU 17 13.225 -4.711 1.606 118 HD21 LEU 17 HD21 LEU 17 11.951 -4.080 -1.871 119 HD22 LEU 17 HD22 LEU 17 11.773 -5.613 -0.984 120 HD23 LEU 17 HD23 LEU 17 11.502 -4.065 -0.149 Start of MODEL 13 1 H1 ASN 1 H1 ASN 1 -10.661 6.921 -3.185 2 H2 ASN 1 H2 ASN 1 -12.204 6.407 -2.911 3 H3 ASN 1 H3 ASN 1 -10.950 5.735 -2.076 4 HA ASN 1 HA ASN 1 -11.910 8.498 -1.882 5 HB2 ASN 1 HB3 ASN 1 -13.240 6.519 -0.876 6 HB3 ASN 1 HB2 ASN 1 -11.914 6.390 0.286 7 HD21 ASN 1 HD21 ASN 1 -13.324 8.791 2.442 8 HD22 ASN 1 HD22 ASN 1 -12.295 7.394 2.222 9 H VAL 2 H VAL 2 -10.941 9.792 -0.239 10 HA VAL 2 HA VAL 2 -8.037 9.522 -0.160 11 HB VAL 2 HB VAL 2 -9.765 11.794 0.811 12 HG11 VAL 2 HG11 VAL 2 -7.528 11.796 1.921 13 HG12 VAL 2 HG12 VAL 2 -7.806 13.209 0.874 14 HG13 VAL 2 HG13 VAL 2 -6.768 11.876 0.314 15 HG21 VAL 2 HG21 VAL 2 -9.884 11.468 -1.663 16 HG22 VAL 2 HG22 VAL 2 -8.119 11.686 -1.742 17 HG23 VAL 2 HG23 VAL 2 -9.156 13.020 -1.183 18 H HIS 3 H HIS 3 -10.531 9.831 2.451 19 HA HIS 3 HA HIS 3 -8.686 9.543 4.599 20 HB2 HIS 3 HB3 HIS 3 -11.116 10.473 4.514 21 HB3 HIS 3 HB2 HIS 3 -11.581 8.800 4.885 22 HD1 HIS 3 HD1 HIS 3 -9.299 11.621 6.407 23 HD2 HIS 3 HD2 HIS 3 -11.434 8.029 7.382 24 HE1 HIS 3 HE1 HIS 3 -9.236 11.196 8.948 25 H THR 4 H THR 4 -10.806 7.030 3.182 26 HA THR 4 HA THR 4 -9.708 4.920 4.851 27 HB THR 4 HB THR 4 -11.103 3.439 3.320 28 HG1 THR 4 HG1 THR 4 -11.255 4.955 1.575 29 HG21 THR 4 HG21 THR 4 -13.270 4.083 4.288 30 HG22 THR 4 HG22 THR 4 -11.968 4.093 5.501 31 HG23 THR 4 HG23 THR 4 -12.567 5.627 4.827 32 H PHE 5 H PHE 5 -9.756 5.171 1.261 33 HA PHE 5 HA PHE 5 -8.346 4.595 -0.360 34 HB2 PHE 5 HB3 PHE 5 -6.187 5.354 -0.403 35 HB3 PHE 5 HB2 PHE 5 -7.060 6.407 0.699 36 HD1 PHE 5 HD1 PHE 5 -6.195 6.794 2.925 37 HD2 PHE 5 HD2 PHE 5 -4.560 3.638 0.498 38 HE1 PHE 5 HE1 PHE 5 -4.299 6.569 4.490 39 HE2 PHE 5 HE2 PHE 5 -2.651 3.412 2.085 40 HZ PHE 5 HZ PHE 5 -2.524 4.886 4.075 41 H ARG 6 H ARG 6 -6.868 3.121 -1.382 42 HA ARG 6 HA ARG 6 -7.228 0.395 -0.426 43 HB2 ARG 6 HB3 ARG 6 -7.025 1.640 -2.870 44 HB3 ARG 6 HB2 ARG 6 -5.423 0.912 -2.715 45 HG2 ARG 6 HG2 ARG 6 -6.650 -0.679 -3.905 46 HG3 ARG 6 HG3 ARG 6 -6.632 -1.308 -2.250 47 HD2 ARG 6 HD2 ARG 6 -8.946 -0.475 -1.909 48 HD3 ARG 6 HD3 ARG 6 -8.960 0.170 -3.565 49 HE ARG 6 HE ARG 6 -8.289 -2.600 -3.689 50 HH11 ARG 6 HH11 ARG 6 -9.770 -4.133 -4.276 51 HH12 ARG 6 HH12 ARG 6 -11.489 -3.833 -4.150 52 HH21 ARG 6 HH21 ARG 6 -11.174 -0.604 -2.901 53 HH22 ARG 6 HH22 ARG 6 -12.270 -1.878 -3.389 54 H GLY 7 H GLY 7 -4.220 1.863 -1.655 55 HA2 GLY 7 HA3 GLY 7 -2.674 1.696 0.739 56 HA3 GLY 7 HA2 GLY 7 -2.434 0.205 -0.186 57 H ILE 8 H ILE 8 -2.670 3.687 -1.022 58 HA ILE 8 HA ILE 8 -0.574 3.569 -3.025 59 HB ILE 8 HB ILE 8 -2.002 5.903 -1.720 60 HG12 ILE 8 HG13 ILE 8 -3.056 5.859 -4.215 61 HG13 ILE 8 HG12 ILE 8 -2.785 4.129 -3.974 62 HG21 ILE 8 HG21 ILE 8 0.142 6.582 -2.767 63 HG22 ILE 8 HG22 ILE 8 -0.441 5.942 -4.323 64 HG23 ILE 8 HG23 ILE 8 -1.281 7.309 -3.551 65 HD11 ILE 8 HD11 ILE 8 -5.078 4.759 -3.352 66 HD12 ILE 8 HD12 ILE 8 -4.175 4.176 -1.933 67 HD13 ILE 8 HD13 ILE 8 -4.448 5.921 -2.160 68 H ASN 9 H ASN 9 -0.805 5.265 0.120 69 HA ASN 9 HA ASN 9 1.952 5.909 0.413 70 HB2 ASN 9 HB2 ASN 9 -0.147 6.890 1.502 71 HB3 ASN 9 HB3 ASN 9 0.010 5.602 2.695 72 HD21 ASN 9 HD21 ASN 9 0.008 7.828 3.988 73 HD22 ASN 9 HD22 ASN 9 1.601 8.452 4.350 74 H GLY 10 H GLY 10 0.115 3.153 1.841 75 HA2 GLY 10 HA2 GLY 10 2.121 2.016 3.454 76 HA3 GLY 10 HA3 GLY 10 0.833 1.102 2.658 77 H HIS 11 H HIS 11 1.493 1.181 -0.013 78 HA HIS 11 HA HIS 11 3.731 -0.624 -0.256 79 HB2 HIS 11 HB2 HIS 11 1.886 0.797 -2.184 80 HB3 HIS 11 HB3 HIS 11 3.281 -0.106 -2.793 81 HD1 HIS 11 HD1 HIS 11 -0.055 -0.779 -0.795 82 HD2 HIS 11 HD2 HIS 11 3.072 -2.679 -3.018 83 HE1 HIS 11 HE1 HIS 11 -0.623 -3.257 -1.206 84 H ASN 12 H ASN 12 3.410 2.930 -0.887 85 HA ASN 12 HA ASN 12 5.831 3.371 -2.255 86 HB2 ASN 12 HB3 ASN 12 3.927 4.962 -1.951 87 HB3 ASN 12 HB2 ASN 12 4.501 5.267 -0.306 88 HD21 ASN 12 HD21 ASN 12 6.418 7.028 -3.518 89 HD22 ASN 12 HD22 ASN 12 5.278 5.726 -3.774 90 H SER 13 H SER 13 5.489 2.850 1.270 91 HA SER 13 HA SER 13 8.428 3.193 1.533 92 HB2 SER 13 HB3 SER 13 6.214 4.121 3.248 93 HB3 SER 13 HB2 SER 13 7.574 3.377 4.120 94 HG SER 13 HG SER 13 7.889 5.639 3.747 95 H SER 14 H SER 14 5.743 0.924 2.459 96 HA SER 14 HA SER 14 7.608 -0.816 3.818 97 HB2 SER 14 HB3 SER 14 5.291 -0.697 4.526 98 HB3 SER 14 HB2 SER 14 4.788 -1.470 3.009 99 HG SER 14 HG SER 14 5.038 -2.984 4.738 100 H SER 15 H SER 15 6.085 -1.095 0.554 101 HA SER 15 HA SER 15 7.600 -3.472 -0.104 102 HB2 SER 15 HB3 SER 15 6.266 -1.461 -1.955 103 HB3 SER 15 HB2 SER 15 6.835 -3.081 -2.406 104 HG SER 15 HG SER 15 4.572 -3.034 -1.945 105 H SER 16 H SER 16 8.749 -0.189 0.175 106 HA SER 16 HA SER 16 10.714 -0.374 -1.991 107 HB2 SER 16 HB2 SER 16 11.441 1.832 -1.325 108 HB3 SER 16 HB3 SER 16 9.671 1.791 -1.412 109 HG SER 16 HG SER 16 10.442 2.870 0.474 110 H LEU 17 H LEU 17 12.669 -1.246 -1.915 111 HA LEU 17 HA LEU 17 13.664 -2.505 0.495 112 HB2 LEU 17 HB2 LEU 17 14.545 -2.305 -2.361 113 HB3 LEU 17 HB3 LEU 17 15.646 -2.977 -1.157 114 HG LEU 17 HG LEU 17 14.380 -4.626 -2.486 115 HD11 LEU 17 HD21 LEU 17 15.369 -5.177 -0.283 116 HD12 LEU 17 HD22 LEU 17 13.770 -4.921 0.455 117 HD13 LEU 17 HD23 LEU 17 13.996 -6.210 -0.750 118 HD21 LEU 17 HD11 LEU 17 12.164 -3.533 -2.640 119 HD22 LEU 17 HD12 LEU 17 12.108 -5.240 -2.141 120 HD23 LEU 17 HD13 LEU 17 11.880 -3.952 -0.934 Start of MODEL 14 1 H1 ASN 1 H1 ASN 1 -4.360 3.109 5.862 2 H2 ASN 1 H2 ASN 1 -4.905 4.418 6.706 3 H3 ASN 1 H3 ASN 1 -5.371 4.194 5.140 4 HA ASN 1 HA ASN 1 -6.069 2.512 7.440 5 HB2 ASN 1 HB3 ASN 1 -7.104 4.860 7.095 6 HB3 ASN 1 HB2 ASN 1 -7.934 4.153 5.703 7 HD21 ASN 1 HD21 ASN 1 -9.229 3.301 9.536 8 HD22 ASN 1 HD22 ASN 1 -7.680 4.070 9.273 9 H VAL 2 H VAL 2 -7.767 0.894 6.972 10 HA VAL 2 HA VAL 2 -7.232 -0.483 4.407 11 HB VAL 2 HB VAL 2 -8.347 -1.641 6.960 12 HG11 VAL 2 HG11 VAL 2 -9.161 -2.882 4.953 13 HG12 VAL 2 HG12 VAL 2 -7.469 -3.183 4.491 14 HG13 VAL 2 HG13 VAL 2 -8.110 -3.855 6.009 15 HG21 VAL 2 HG21 VAL 2 -5.925 -1.061 7.124 16 HG22 VAL 2 HG22 VAL 2 -6.247 -2.806 7.260 17 HG23 VAL 2 HG23 VAL 2 -5.605 -2.136 5.742 18 H HIS 3 H HIS 3 -10.152 0.206 6.448 19 HA HIS 3 HA HIS 3 -12.032 -0.615 4.478 20 HB2 HIS 3 HB3 HIS 3 -12.265 -0.249 7.044 21 HB3 HIS 3 HB2 HIS 3 -12.727 1.405 6.592 22 HD1 HIS 3 HD1 HIS 3 -13.866 -2.279 5.801 23 HD2 HIS 3 HD2 HIS 3 -15.198 1.800 5.837 24 HE1 HIS 3 HE1 HIS 3 -16.383 -2.150 5.272 25 H THR 4 H THR 4 -10.932 2.702 5.223 26 HA THR 4 HA THR 4 -12.457 3.861 3.017 27 HB THR 4 HB THR 4 -11.270 5.985 3.768 28 HG1 THR 4 HG1 THR 4 -9.552 4.928 4.908 29 HG21 THR 4 HG21 THR 4 -12.630 6.315 5.789 30 HG22 THR 4 HG22 THR 4 -13.562 5.562 4.473 31 HG23 THR 4 HG23 THR 4 -12.982 4.571 5.834 32 H PHE 5 H PHE 5 -8.939 4.061 3.791 33 HA PHE 5 HA PHE 5 -8.212 4.631 1.035 34 HB2 PHE 5 HB2 PHE 5 -7.156 5.626 3.007 35 HB3 PHE 5 HB3 PHE 5 -6.579 4.048 3.530 36 HD1 PHE 5 HD1 PHE 5 -6.130 6.870 1.212 37 HD2 PHE 5 HD2 PHE 5 -4.529 3.116 2.623 38 HE1 PHE 5 HE1 PHE 5 -3.868 7.580 0.514 39 HE2 PHE 5 HE2 PHE 5 -2.239 3.872 1.988 40 HZ PHE 5 HZ PHE 5 -1.925 6.135 0.963 41 H ARG 6 H ARG 6 -6.928 3.456 -0.354 42 HA ARG 6 HA ARG 6 -7.287 0.546 -0.330 43 HB2 ARG 6 HB2 ARG 6 -7.367 2.474 -2.260 44 HB3 ARG 6 HB3 ARG 6 -5.740 1.835 -2.511 45 HG2 ARG 6 HG3 ARG 6 -8.270 0.147 -2.512 46 HG3 ARG 6 HG2 ARG 6 -7.511 0.821 -3.962 47 HD2 ARG 6 HD3 ARG 6 -5.457 -0.506 -3.495 48 HD3 ARG 6 HD2 ARG 6 -6.254 -1.209 -2.074 49 HE ARG 6 HE ARG 6 -6.816 -1.823 -4.916 50 HH11 ARG 6 HH11 ARG 6 -8.011 -3.628 -5.349 51 HH12 ARG 6 HH12 ARG 6 -8.853 -4.487 -4.079 52 HH21 ARG 6 HH21 ARG 6 -7.832 -2.380 -1.511 53 HH22 ARG 6 HH22 ARG 6 -8.755 -3.798 -1.953 54 H GLY 7 H GLY 7 -4.389 2.461 -1.178 55 HA2 GLY 7 HA3 GLY 7 -2.628 1.916 0.865 56 HA3 GLY 7 HA2 GLY 7 -2.566 0.442 -0.113 57 H ILE 8 H ILE 8 -2.625 3.964 -0.795 58 HA ILE 8 HA ILE 8 -0.726 3.762 -2.991 59 HB ILE 8 HB ILE 8 -1.905 6.145 -1.534 60 HG12 ILE 8 HG13 ILE 8 -3.149 6.189 -3.955 61 HG13 ILE 8 HG12 ILE 8 -2.981 4.446 -3.716 62 HG21 ILE 8 HG21 ILE 8 0.181 6.724 -2.739 63 HG22 ILE 8 HG22 ILE 8 -0.559 6.150 -4.253 64 HG23 ILE 8 HG23 ILE 8 -1.255 7.546 -3.394 65 HD11 ILE 8 HD11 ILE 8 -5.167 5.239 -2.920 66 HD12 ILE 8 HD12 ILE 8 -4.195 4.602 -1.572 67 HD13 ILE 8 HD13 ILE 8 -4.363 6.361 -1.795 68 H ASN 9 H ASN 9 -0.593 5.414 0.187 69 HA ASN 9 HA ASN 9 2.251 5.773 0.245 70 HB2 ASN 9 HB2 ASN 9 0.379 7.056 1.433 71 HB3 ASN 9 HB3 ASN 9 0.458 5.797 2.665 72 HD21 ASN 9 HD21 ASN 9 0.836 8.058 3.851 73 HD22 ASN 9 HD22 ASN 9 2.519 8.474 4.078 74 H GLY 10 H GLY 10 0.181 3.318 1.875 75 HA2 GLY 10 HA2 GLY 10 2.065 1.978 3.451 76 HA3 GLY 10 HA3 GLY 10 0.676 1.199 2.682 77 H HIS 11 H HIS 11 1.264 1.091 0.046 78 HA HIS 11 HA HIS 11 3.328 -0.916 -0.189 79 HB2 HIS 11 HB2 HIS 11 1.542 0.558 -2.138 80 HB3 HIS 11 HB3 HIS 11 2.789 -0.559 -2.714 81 HD1 HIS 11 HD1 HIS 11 -0.561 -0.625 -0.644 82 HD2 HIS 11 HD2 HIS 11 2.287 -3.105 -2.664 83 HE1 HIS 11 HE1 HIS 11 -1.462 -3.026 -0.868 84 H ASN 12 H ASN 12 3.265 2.608 -1.061 85 HA ASN 12 HA ASN 12 5.711 2.671 -2.506 86 HB2 ASN 12 HB2 ASN 12 3.958 4.448 -2.412 87 HB3 ASN 12 HB3 ASN 12 4.545 4.899 -0.805 88 HD21 ASN 12 HD21 ASN 12 6.197 6.415 -0.677 89 HD22 ASN 12 HD22 ASN 12 7.115 6.986 -2.053 90 H SER 13 H SER 13 5.222 2.720 1.019 91 HA SER 13 HA SER 13 8.054 3.167 1.652 92 HB2 SER 13 HB2 SER 13 7.182 3.172 3.981 93 HB3 SER 13 HB3 SER 13 6.246 4.259 2.940 94 HG SER 13 HG SER 13 4.681 3.168 3.948 95 H SER 14 H SER 14 5.664 0.493 2.332 96 HA SER 14 HA SER 14 7.721 -1.172 3.431 97 HB2 SER 14 HB3 SER 14 5.406 -1.358 4.159 98 HB3 SER 14 HB2 SER 14 5.001 -2.127 2.610 99 HG SER 14 HG SER 14 5.481 -3.667 4.265 100 H SER 15 H SER 15 6.250 -1.239 0.146 101 HA SER 15 HA SER 15 7.910 -3.427 -0.748 102 HB2 SER 15 HB3 SER 15 5.764 -2.597 -1.825 103 HB3 SER 15 HB2 SER 15 6.708 -1.242 -2.484 104 HG SER 15 HG SER 15 6.578 -3.029 -3.950 105 H SER 16 H SER 16 8.787 -0.045 -0.132 106 HA SER 16 HA SER 16 11.112 -0.114 -1.959 107 HB2 SER 16 HB3 SER 16 9.777 1.971 -1.705 108 HB3 SER 16 HB2 SER 16 10.210 2.023 0.019 109 HG SER 16 HG SER 16 11.602 3.332 -1.287 110 H LEU 17 H LEU 17 12.940 -1.080 -1.377 111 HA LEU 17 HA LEU 17 13.500 -1.893 1.370 112 HB2 LEU 17 HB2 LEU 17 14.831 -2.186 -1.319 113 HB3 LEU 17 HB3 LEU 17 15.692 -2.656 0.148 114 HG LEU 17 HG LEU 17 14.643 -4.507 -1.076 115 HD11 LEU 17 HD21 LEU 17 15.158 -4.669 1.340 116 HD12 LEU 17 HD22 LEU 17 13.455 -4.291 1.690 117 HD13 LEU 17 HD23 LEU 17 13.871 -5.767 0.788 118 HD21 LEU 17 HD11 LEU 17 12.542 -3.455 -1.855 119 HD22 LEU 17 HD12 LEU 17 12.328 -5.051 -1.098 120 HD23 LEU 17 HD13 LEU 17 11.911 -3.575 -0.195 Start of MODEL 15 1 H1 ASN 1 H1 ASN 1 -7.805 5.504 5.565 2 H2 ASN 1 H2 ASN 1 -8.938 6.182 4.577 3 H3 ASN 1 H3 ASN 1 -8.831 6.653 6.155 4 HA ASN 1 HA ASN 1 -9.520 4.549 6.941 5 HB2 ASN 1 HB2 ASN 1 -11.107 6.429 6.202 6 HB3 ASN 1 HB3 ASN 1 -11.446 5.443 4.774 7 HD21 ASN 1 HD21 ASN 1 -13.254 4.163 4.926 8 HD22 ASN 1 HD22 ASN 1 -13.953 3.588 6.423 9 H VAL 2 H VAL 2 -10.432 2.460 6.522 10 HA VAL 2 HA VAL 2 -8.941 0.951 4.586 11 HB VAL 2 HB VAL 2 -11.133 0.002 6.424 12 HG11 VAL 2 HG21 VAL 2 -10.719 -1.613 4.566 13 HG12 VAL 2 HG22 VAL 2 -10.314 -2.257 6.176 14 HG13 VAL 2 HG23 VAL 2 -9.018 -1.718 5.080 15 HG21 VAL 2 HG11 VAL 2 -9.178 0.954 7.653 16 HG22 VAL 2 HG12 VAL 2 -9.429 -0.783 7.947 17 HG23 VAL 2 HG13 VAL 2 -8.134 -0.245 6.852 18 H HIS 3 H HIS 3 -12.490 1.605 4.713 19 HA HIS 3 HA HIS 3 -13.164 0.138 2.378 20 HB2 HIS 3 HB3 HIS 3 -14.603 1.107 4.334 21 HB3 HIS 3 HB2 HIS 3 -14.773 2.514 3.264 22 HD1 HIS 3 HD1 HIS 3 -15.424 -1.368 3.127 23 HD2 HIS 3 HD2 HIS 3 -16.575 2.379 1.375 24 HE1 HIS 3 HE1 HIS 3 -17.374 -1.703 1.481 25 H THR 4 H THR 4 -12.467 3.631 2.642 26 HA THR 4 HA THR 4 -12.901 4.105 -0.199 27 HB THR 4 HB THR 4 -12.092 6.435 0.413 28 HG1 THR 4 HG1 THR 4 -10.971 5.815 2.342 29 HG21 THR 4 HG21 THR 4 -14.133 7.108 1.606 30 HG22 THR 4 HG22 THR 4 -14.482 5.994 0.263 31 HG23 THR 4 HG23 THR 4 -14.498 5.398 1.941 32 H PHE 5 H PHE 5 -9.995 4.761 1.832 33 HA PHE 5 HA PHE 5 -8.215 4.690 -0.480 34 HB2 PHE 5 HB3 PHE 5 -7.625 4.921 2.495 35 HB3 PHE 5 HB2 PHE 5 -6.406 5.008 1.223 36 HD1 PHE 5 HD1 PHE 5 -9.431 6.733 2.625 37 HD2 PHE 5 HD2 PHE 5 -5.919 7.095 0.147 38 HE1 PHE 5 HE1 PHE 5 -9.756 9.190 2.527 39 HE2 PHE 5 HE2 PHE 5 -6.230 9.551 0.092 40 HZ PHE 5 HZ PHE 5 -8.141 10.596 1.272 41 H ARG 6 H ARG 6 -6.960 3.098 -1.224 42 HA ARG 6 HA ARG 6 -7.303 0.370 -0.223 43 HB2 ARG 6 HB3 ARG 6 -6.950 1.577 -2.689 44 HB3 ARG 6 HB2 ARG 6 -5.360 0.868 -2.384 45 HG2 ARG 6 HG2 ARG 6 -6.327 -0.868 -3.496 46 HG3 ARG 6 HG3 ARG 6 -6.768 -1.310 -1.843 47 HD2 ARG 6 HD3 ARG 6 -8.591 0.123 -3.817 48 HD3 ARG 6 HD2 ARG 6 -8.602 -1.618 -3.499 49 HE ARG 6 HE ARG 6 -9.747 0.497 -1.811 50 HH11 ARG 6 HH11 ARG 6 -8.818 -2.975 -1.904 51 HH12 ARG 6 HH12 ARG 6 -9.867 -3.354 -0.556 52 HH21 ARG 6 HH21 ARG 6 -11.091 -1.758 0.429 53 HH22 ARG 6 HH22 ARG 6 -11.029 -0.099 -0.125 54 H GLY 7 H GLY 7 -4.296 1.934 -1.304 55 HA2 GLY 7 HA3 GLY 7 -2.867 2.033 1.133 56 HA3 GLY 7 HA2 GLY 7 -2.561 0.434 0.425 57 H ILE 8 H ILE 8 -2.775 3.829 -0.700 58 HA ILE 8 HA ILE 8 -0.777 3.571 -2.771 59 HB ILE 8 HB ILE 8 -2.047 6.003 -1.483 60 HG12 ILE 8 HG13 ILE 8 -3.261 5.882 -3.910 61 HG13 ILE 8 HG12 ILE 8 -3.055 4.157 -3.579 62 HG21 ILE 8 HG21 ILE 8 0.046 6.552 -2.697 63 HG22 ILE 8 HG22 ILE 8 -1.400 7.302 -3.416 64 HG23 ILE 8 HG23 ILE 8 -0.665 5.873 -4.182 65 HD11 ILE 8 HD11 ILE 8 -5.271 4.939 -2.850 66 HD12 ILE 8 HD12 ILE 8 -4.508 6.137 -1.777 67 HD13 ILE 8 HD13 ILE 8 -4.302 4.398 -1.459 68 H ASN 9 H ASN 9 -0.772 5.391 0.308 69 HA ASN 9 HA ASN 9 2.012 5.970 0.415 70 HB2 ASN 9 HB2 ASN 9 0.023 7.044 1.604 71 HB3 ASN 9 HB3 ASN 9 0.205 5.778 2.818 72 HD21 ASN 9 HD21 ASN 9 1.987 8.613 4.302 73 HD22 ASN 9 HD22 ASN 9 0.355 8.039 4.051 74 H GLY 10 H GLY 10 0.205 3.306 2.037 75 HA2 GLY 10 HA2 GLY 10 2.289 2.150 3.538 76 HA3 GLY 10 HA3 GLY 10 0.919 1.257 2.862 77 H HIS 11 H HIS 11 1.374 1.261 0.151 78 HA HIS 11 HA HIS 11 3.506 -0.631 -0.240 79 HB2 HIS 11 HB3 HIS 11 1.542 0.834 -1.994 80 HB3 HIS 11 HB2 HIS 11 2.908 -0.001 -2.755 81 HD1 HIS 11 HD1 HIS 11 2.607 -2.695 -3.067 82 HD2 HIS 11 HD2 HIS 11 -0.078 -0.665 -0.430 83 HE1 HIS 11 HE1 HIS 11 0.743 -4.297 -2.282 84 H ASN 12 H ASN 12 3.322 2.924 -0.897 85 HA ASN 12 HA ASN 12 5.682 3.211 -2.417 86 HB2 ASN 12 HB3 ASN 12 3.854 4.887 -2.066 87 HB3 ASN 12 HB2 ASN 12 4.527 5.223 -0.467 88 HD21 ASN 12 HD21 ASN 12 6.326 6.802 -3.838 89 HD22 ASN 12 HD22 ASN 12 5.124 5.539 -3.984 90 H SER 13 H SER 13 5.494 2.828 1.139 91 HA SER 13 HA SER 13 8.442 3.141 1.277 92 HB2 SER 13 HB3 SER 13 6.288 3.993 3.102 93 HB3 SER 13 HB2 SER 13 7.692 3.247 3.901 94 HG SER 13 HG SER 13 7.961 5.524 3.572 95 H SER 14 H SER 14 5.842 0.787 2.244 96 HA SER 14 HA SER 14 7.799 -0.924 3.505 97 HB2 SER 14 HB3 SER 14 5.484 -0.905 4.257 98 HB3 SER 14 HB2 SER 14 5.000 -1.705 2.746 99 HG SER 14 HG SER 14 5.367 -3.206 4.466 100 H SER 15 H SER 15 6.248 -1.139 0.258 101 HA SER 15 HA SER 15 7.778 -3.471 -0.507 102 HB2 SER 15 HB3 SER 15 6.453 -1.376 -2.273 103 HB3 SER 15 HB2 SER 15 7.016 -2.978 -2.790 104 HG SER 15 HG SER 15 4.751 -2.938 -2.340 105 H SER 16 H SER 16 8.894 -0.178 -0.119 106 HA SER 16 HA SER 16 10.886 -0.292 -2.266 107 HB2 SER 16 HB2 SER 16 11.561 1.918 -1.555 108 HB3 SER 16 HB3 SER 16 9.792 1.844 -1.665 109 HG SER 16 HG SER 16 10.518 2.908 0.247 110 H LEU 17 H LEU 17 12.847 -1.145 -2.174 111 HA LEU 17 HA LEU 17 13.827 -2.417 0.235 112 HB2 LEU 17 HB2 LEU 17 14.740 -2.181 -2.608 113 HB3 LEU 17 HB3 LEU 17 15.834 -2.853 -1.397 114 HG LEU 17 HG LEU 17 14.602 -4.505 -2.756 115 HD11 LEU 17 HD21 LEU 17 15.566 -5.064 -0.544 116 HD12 LEU 17 HD22 LEU 17 13.955 -4.830 0.175 117 HD13 LEU 17 HD23 LEU 17 14.211 -6.106 -1.040 118 HD21 LEU 17 HD11 LEU 17 12.379 -3.431 -2.932 119 HD22 LEU 17 HD12 LEU 17 12.331 -5.142 -2.447 120 HD23 LEU 17 HD13 LEU 17 12.075 -3.867 -1.232 Start of MODEL 16 1 H1 ASN 1 H1 ASN 1 -8.713 2.157 5.406 2 H2 ASN 1 H2 ASN 1 -8.231 2.040 6.979 3 H3 ASN 1 H3 ASN 1 -7.125 1.895 5.764 4 HA ASN 1 HA ASN 1 -7.931 -0.090 5.029 5 HB2 ASN 1 HB3 ASN 1 -6.305 0.043 6.751 6 HB3 ASN 1 HB2 ASN 1 -7.552 0.023 7.993 7 HD21 ASN 1 HD21 ASN 1 -6.012 -2.023 5.469 8 HD22 ASN 1 HD22 ASN 1 -6.311 -3.534 6.297 9 H VAL 2 H VAL 2 -10.488 1.412 5.635 10 HA VAL 2 HA VAL 2 -12.240 -0.944 5.505 11 HB VAL 2 HB VAL 2 -12.808 1.324 7.418 12 HG11 VAL 2 HG21 VAL 2 -14.878 0.619 6.220 13 HG12 VAL 2 HG22 VAL 2 -14.631 -1.034 6.831 14 HG13 VAL 2 HG23 VAL 2 -14.927 0.301 7.970 15 HG21 VAL 2 HG11 VAL 2 -11.302 -0.421 8.366 16 HG22 VAL 2 HG12 VAL 2 -12.569 -1.634 8.068 17 HG23 VAL 2 HG13 VAL 2 -12.865 -0.298 9.207 18 H HIS 3 H HIS 3 -12.825 2.627 5.569 19 HA HIS 3 HA HIS 3 -14.392 2.596 3.170 20 HB2 HIS 3 HB3 HIS 3 -14.326 4.274 5.169 21 HB3 HIS 3 HB2 HIS 3 -13.072 5.093 4.214 22 HD1 HIS 3 HD1 HIS 3 -16.793 3.898 3.732 23 HD2 HIS 3 HD2 HIS 3 -13.875 6.719 2.336 24 HE1 HIS 3 HE1 HIS 3 -17.857 5.540 2.057 25 H THR 4 H THR 4 -10.998 3.545 3.694 26 HA THR 4 HA THR 4 -10.477 4.152 0.901 27 HB THR 4 HB THR 4 -8.077 4.308 1.776 28 HG1 THR 4 HG1 THR 4 -8.432 3.043 3.685 29 HG21 THR 4 HG21 THR 4 -8.395 6.455 2.933 30 HG22 THR 4 HG22 THR 4 -10.138 6.122 3.069 31 HG23 THR 4 HG23 THR 4 -9.395 6.335 1.465 32 H PHE 5 H PHE 5 -8.732 1.793 3.002 33 HA PHE 5 HA PHE 5 -7.860 -0.265 2.640 34 HB2 PHE 5 HB2 PHE 5 -10.342 -0.542 2.697 35 HB3 PHE 5 HB3 PHE 5 -10.288 -0.804 0.958 36 HD1 PHE 5 HD1 PHE 5 -10.285 -3.030 0.224 37 HD2 PHE 5 HD2 PHE 5 -8.649 -2.145 4.118 38 HE1 PHE 5 HE1 PHE 5 -9.984 -5.448 0.663 39 HE2 PHE 5 HE2 PHE 5 -8.355 -4.555 4.544 40 HZ PHE 5 HZ PHE 5 -9.015 -6.212 2.822 41 H ARG 6 H ARG 6 -7.102 1.667 0.519 42 HA ARG 6 HA ARG 6 -6.369 -0.060 -1.768 43 HB2 ARG 6 HB2 ARG 6 -7.397 2.348 -1.837 44 HB3 ARG 6 HB3 ARG 6 -5.741 2.880 -1.541 45 HG2 ARG 6 HG3 ARG 6 -6.614 1.177 -3.907 46 HG3 ARG 6 HG2 ARG 6 -6.442 2.940 -3.938 47 HD2 ARG 6 HD3 ARG 6 -3.999 2.596 -3.264 48 HD3 ARG 6 HD2 ARG 6 -4.248 0.868 -3.586 49 HE ARG 6 HE ARG 6 -5.121 2.121 -5.908 50 HH11 ARG 6 HH11 ARG 6 -2.127 2.632 -7.569 51 HH12 ARG 6 HH12 ARG 6 -3.867 2.491 -7.694 52 HH21 ARG 6 HH21 ARG 6 -1.089 2.445 -5.596 53 HH22 ARG 6 HH22 ARG 6 -1.994 2.153 -4.129 54 H GLY 7 H GLY 7 -4.637 2.486 -0.010 55 HA2 GLY 7 HA3 GLY 7 -2.651 2.252 1.307 56 HA3 GLY 7 HA2 GLY 7 -2.328 0.691 0.527 57 H ILE 8 H ILE 8 -2.716 4.153 -0.401 58 HA ILE 8 HA ILE 8 -0.936 3.993 -2.677 59 HB ILE 8 HB ILE 8 -2.019 6.379 -1.154 60 HG12 ILE 8 HG13 ILE 8 -3.451 6.424 -3.451 61 HG13 ILE 8 HG12 ILE 8 -3.240 4.678 -3.265 62 HG21 ILE 8 HG21 ILE 8 -0.033 6.952 -2.527 63 HG22 ILE 8 HG22 ILE 8 -0.888 6.362 -3.971 64 HG23 ILE 8 HG23 ILE 8 -1.520 7.764 -3.074 65 HD11 ILE 8 HD11 ILE 8 -5.373 5.419 -2.289 66 HD12 ILE 8 HD12 ILE 8 -4.503 6.529 -1.202 67 HD13 ILE 8 HD13 ILE 8 -4.293 4.770 -1.032 68 H ASN 9 H ASN 9 -0.596 5.678 0.457 69 HA ASN 9 HA ASN 9 2.259 6.025 0.279 70 HB2 ASN 9 HB2 ASN 9 0.491 7.421 1.498 71 HB3 ASN 9 HB3 ASN 9 0.635 6.245 2.804 72 HD21 ASN 9 HD21 ASN 9 2.833 8.969 3.888 73 HD22 ASN 9 HD22 ASN 9 1.131 8.572 3.807 74 H GLY 10 H GLY 10 0.258 3.729 2.185 75 HA2 GLY 10 HA2 GLY 10 2.194 2.442 3.733 76 HA3 GLY 10 HA3 GLY 10 0.750 1.651 3.085 77 H HIS 11 H HIS 11 1.189 1.340 0.443 78 HA HIS 11 HA HIS 11 3.202 -0.717 0.237 79 HB2 HIS 11 HB2 HIS 11 1.383 0.680 -1.744 80 HB3 HIS 11 HB3 HIS 11 2.552 -0.540 -2.268 81 HD1 HIS 11 HD1 HIS 11 -0.723 -0.268 -0.107 82 HD2 HIS 11 HD2 HIS 11 1.927 -3.048 -1.993 83 HE1 HIS 11 HE1 HIS 11 -1.784 -2.612 -0.164 84 H ASN 12 H ASN 12 3.157 2.742 -0.887 85 HA ASN 12 HA ASN 12 5.532 2.661 -2.432 86 HB2 ASN 12 HB2 ASN 12 3.794 4.453 -2.375 87 HB3 ASN 12 HB3 ASN 12 4.474 5.020 -0.844 88 HD21 ASN 12 HD21 ASN 12 7.012 6.958 -2.394 89 HD22 ASN 12 HD22 ASN 12 6.204 6.485 -0.916 90 H SER 13 H SER 13 5.277 2.718 1.088 91 HA SER 13 HA SER 13 8.173 3.220 1.484 92 HB2 SER 13 HB2 SER 13 7.455 3.545 3.842 93 HB3 SER 13 HB3 SER 13 6.495 4.550 2.742 94 HG SER 13 HG SER 13 4.970 3.656 3.991 95 H SER 14 H SER 14 5.675 0.760 2.499 96 HA SER 14 HA SER 14 7.687 -0.889 3.721 97 HB2 SER 14 HB3 SER 14 5.397 -0.883 4.542 98 HB3 SER 14 HB2 SER 14 4.892 -1.767 3.085 99 HG SER 14 HG SER 14 5.354 -3.173 4.861 100 H SER 15 H SER 15 6.092 -1.202 0.508 101 HA SER 15 HA SER 15 7.647 -3.539 -0.201 102 HB2 SER 15 HB3 SER 15 6.317 -1.525 -2.053 103 HB3 SER 15 HB2 SER 15 6.899 -3.141 -2.498 104 HG SER 15 HG SER 15 4.630 -3.103 -2.073 105 H SER 16 H SER 16 8.705 -0.197 0.075 106 HA SER 16 HA SER 16 10.712 -0.364 -2.051 107 HB2 SER 16 HB2 SER 16 11.357 1.870 -1.440 108 HB3 SER 16 HB3 SER 16 9.587 1.779 -1.497 109 HG SER 16 HG SER 16 11.010 2.709 0.460 110 H LEU 17 H LEU 17 12.698 -1.162 -1.931 111 HA LEU 17 HA LEU 17 13.683 -2.374 0.508 112 HB2 LEU 17 HB2 LEU 17 14.614 -2.166 -2.334 113 HB3 LEU 17 HB3 LEU 17 15.712 -2.795 -1.104 114 HG LEU 17 HG LEU 17 14.523 -4.493 -2.444 115 HD11 LEU 17 HD21 LEU 17 15.488 -4.997 -0.221 116 HD12 LEU 17 HD22 LEU 17 13.870 -4.784 0.489 117 HD13 LEU 17 HD23 LEU 17 14.157 -6.075 -0.702 118 HD21 LEU 17 HD11 LEU 17 12.278 -3.470 -2.648 119 HD22 LEU 17 HD12 LEU 17 11.976 -3.882 -0.944 120 HD23 LEU 17 HD13 LEU 17 12.262 -5.173 -2.135 Start of MODEL 17 1 H1 ASN 1 H1 ASN 1 -8.798 2.872 6.693 2 H2 ASN 1 H2 ASN 1 -9.869 3.850 5.909 3 H3 ASN 1 H3 ASN 1 -9.967 3.664 7.545 4 HA ASN 1 HA ASN 1 -10.567 1.398 7.360 5 HB2 ASN 1 HB2 ASN 1 -12.214 3.367 7.209 6 HB3 ASN 1 HB3 ASN 1 -12.321 3.011 5.480 7 HD21 ASN 1 HD21 ASN 1 -14.027 1.714 4.898 8 HD22 ASN 1 HD22 ASN 1 -14.827 0.572 5.955 9 H VAL 2 H VAL 2 -11.251 -0.388 6.058 10 HA VAL 2 HA VAL 2 -9.452 -0.964 3.894 11 HB VAL 2 HB VAL 2 -11.749 -2.625 4.926 12 HG11 VAL 2 HG21 VAL 2 -11.015 -3.369 2.659 13 HG12 VAL 2 HG22 VAL 2 -9.375 -3.615 3.306 14 HG13 VAL 2 HG23 VAL 2 -10.733 -4.581 3.932 15 HG21 VAL 2 HG11 VAL 2 -10.016 -2.174 6.667 16 HG22 VAL 2 HG12 VAL 2 -10.160 -3.894 6.233 17 HG23 VAL 2 HG13 VAL 2 -8.802 -2.929 5.607 18 H HIS 3 H HIS 3 -13.034 -0.510 3.813 19 HA HIS 3 HA HIS 3 -13.352 -0.971 1.031 20 HB2 HIS 3 HB3 HIS 3 -15.053 -0.864 3.021 21 HB3 HIS 3 HB2 HIS 3 -15.212 0.839 2.542 22 HD1 HIS 3 HD1 HIS 3 -17.751 0.469 1.550 23 HD2 HIS 3 HD2 HIS 3 -14.566 -1.870 -0.126 24 HE1 HIS 3 HE1 HIS 3 -18.528 -0.691 -0.614 25 H THR 4 H THR 4 -12.941 2.162 2.696 26 HA THR 4 HA THR 4 -13.092 3.692 0.225 27 HB THR 4 HB THR 4 -12.518 5.618 1.776 28 HG1 THR 4 HG1 THR 4 -11.571 4.322 3.447 29 HG21 THR 4 HG21 THR 4 -14.716 5.729 2.870 30 HG22 THR 4 HG22 THR 4 -14.842 5.216 1.171 31 HG23 THR 4 HG23 THR 4 -14.996 4.015 2.476 32 H PHE 5 H PHE 5 -10.475 3.564 2.702 33 HA PHE 5 HA PHE 5 -8.453 4.419 0.770 34 HB2 PHE 5 HB3 PHE 5 -8.195 3.533 3.669 35 HB3 PHE 5 HB2 PHE 5 -6.870 4.146 2.680 36 HD1 PHE 5 HD1 PHE 5 -6.456 6.506 2.532 37 HD2 PHE 5 HD2 PHE 5 -10.144 5.081 4.249 38 HE1 PHE 5 HE1 PHE 5 -6.974 8.786 3.350 39 HE2 PHE 5 HE2 PHE 5 -10.678 7.379 5.022 40 HZ PHE 5 HZ PHE 5 -9.078 9.225 4.582 41 H ARG 6 H ARG 6 -7.170 3.209 -0.449 42 HA ARG 6 HA ARG 6 -7.308 0.272 -0.328 43 HB2 ARG 6 HB3 ARG 6 -7.235 2.144 -2.356 44 HB3 ARG 6 HB2 ARG 6 -5.564 1.571 -2.329 45 HG2 ARG 6 HG2 ARG 6 -6.601 0.232 -3.943 46 HG3 ARG 6 HG3 ARG 6 -6.521 -0.806 -2.511 47 HD2 ARG 6 HD2 ARG 6 -8.916 -0.343 -2.042 48 HD3 ARG 6 HD3 ARG 6 -8.994 0.710 -3.472 49 HE ARG 6 HE ARG 6 -8.018 -1.836 -4.298 50 HH11 ARG 6 HH11 ARG 6 -11.058 -3.254 -5.150 51 HH12 ARG 6 HH12 ARG 6 -9.317 -3.317 -5.306 52 HH21 ARG 6 HH21 ARG 6 -12.054 -1.669 -3.922 53 HH22 ARG 6 HH22 ARG 6 -11.110 -0.455 -3.088 54 H GLY 7 H GLY 7 -4.495 2.329 -1.047 55 HA2 GLY 7 HA3 GLY 7 -2.896 2.131 1.187 56 HA3 GLY 7 HA2 GLY 7 -2.648 0.568 0.385 57 H ILE 8 H ILE 8 -2.837 4.029 -0.531 58 HA ILE 8 HA ILE 8 -0.944 3.827 -2.710 59 HB ILE 8 HB ILE 8 -2.084 6.224 -1.246 60 HG12 ILE 8 HG13 ILE 8 -3.401 6.264 -3.619 61 HG13 ILE 8 HG12 ILE 8 -3.227 4.520 -3.392 62 HG21 ILE 8 HG21 ILE 8 -0.029 6.778 -2.523 63 HG22 ILE 8 HG22 ILE 8 -1.481 7.602 -3.141 64 HG23 ILE 8 HG23 ILE 8 -0.821 6.194 -4.007 65 HD11 ILE 8 HD11 ILE 8 -5.390 5.309 -2.530 66 HD12 ILE 8 HD12 ILE 8 -4.556 6.426 -1.424 67 HD13 ILE 8 HD13 ILE 8 -4.381 4.667 -1.212 68 H ASN 9 H ASN 9 -0.750 5.492 0.453 69 HA ASN 9 HA ASN 9 2.063 5.954 0.455 70 HB2 ASN 9 HB2 ASN 9 0.167 7.082 1.748 71 HB3 ASN 9 HB3 ASN 9 0.347 5.781 2.924 72 HD21 ASN 9 HD21 ASN 9 0.644 8.003 4.199 73 HD22 ASN 9 HD22 ASN 9 2.310 8.503 4.394 74 H GLY 10 H GLY 10 0.200 3.327 2.074 75 HA2 GLY 10 HA2 GLY 10 2.256 2.050 3.495 76 HA3 GLY 10 HA3 GLY 10 0.853 1.222 2.804 77 H HIS 11 H HIS 11 1.278 1.248 0.109 78 HA HIS 11 HA HIS 11 3.387 -0.673 -0.333 79 HB2 HIS 11 HB2 HIS 11 1.454 0.847 -2.099 80 HB3 HIS 11 HB3 HIS 11 2.716 -0.167 -2.814 81 HD1 HIS 11 HD1 HIS 11 -0.490 -0.541 -0.555 82 HD2 HIS 11 HD2 HIS 11 2.317 -2.729 -2.936 83 HE1 HIS 11 HE1 HIS 11 -1.300 -2.961 -0.900 84 H ASN 12 H ASN 12 3.176 2.891 -1.003 85 HA ASN 12 HA ASN 12 5.507 3.163 -2.567 86 HB2 ASN 12 HB3 ASN 12 3.707 4.853 -2.198 87 HB3 ASN 12 HB2 ASN 12 4.398 5.185 -0.604 88 HD21 ASN 12 HD21 ASN 12 6.182 6.750 -3.988 89 HD22 ASN 12 HD22 ASN 12 4.975 5.492 -4.127 90 H SER 13 H SER 13 5.395 2.829 1.004 91 HA SER 13 HA SER 13 8.353 3.079 1.050 92 HB2 SER 13 HB3 SER 13 6.290 4.098 2.868 93 HB3 SER 13 HB2 SER 13 7.628 3.273 3.699 94 HG SER 13 HG SER 13 8.067 5.512 3.314 95 H SER 14 H SER 14 5.734 0.775 2.060 96 HA SER 14 HA SER 14 7.649 -0.892 3.430 97 HB2 SER 14 HB3 SER 14 5.276 -0.884 4.049 98 HB3 SER 14 HB2 SER 14 4.928 -1.808 2.571 99 HG SER 14 HG SER 14 5.264 -3.168 4.411 100 H SER 15 H SER 15 6.302 -1.159 0.088 101 HA SER 15 HA SER 15 7.770 -3.526 -0.580 102 HB2 SER 15 HB2 SER 15 7.282 -3.024 -2.851 103 HB3 SER 15 HB3 SER 15 5.893 -2.479 -1.896 104 HG SER 15 HG SER 15 7.725 -1.008 -3.390 105 H SER 16 H SER 16 8.910 -0.215 -0.269 106 HA SER 16 HA SER 16 11.318 -0.540 -1.876 107 HB2 SER 16 HB2 SER 16 11.822 1.734 -1.303 108 HB3 SER 16 HB3 SER 16 10.091 1.628 -1.673 109 HG SER 16 HG SER 16 11.051 2.746 0.400 110 H LEU 17 H LEU 17 13.236 -1.301 -1.301 111 HA LEU 17 HA LEU 17 13.678 -2.386 1.348 112 HB2 LEU 17 HB2 LEU 17 15.190 -2.313 -1.237 113 HB3 LEU 17 HB3 LEU 17 15.999 -2.872 0.227 114 HG LEU 17 HG LEU 17 15.112 -4.645 -1.249 115 HD11 LEU 17 HD21 LEU 17 15.586 -5.029 1.151 116 HD12 LEU 17 HD22 LEU 17 14.382 -6.139 0.455 117 HD13 LEU 17 HD23 LEU 17 13.856 -4.793 1.493 118 HD21 LEU 17 HD11 LEU 17 12.964 -3.646 -1.969 119 HD22 LEU 17 HD12 LEU 17 12.835 -5.324 -1.386 120 HD23 LEU 17 HD13 LEU 17 12.309 -3.977 -0.347 Start of MODEL 18 1 H1 ASN 1 H1 ASN 1 -7.115 -2.781 4.442 2 H2 ASN 1 H2 ASN 1 -8.733 -2.461 4.458 3 H3 ASN 1 H3 ASN 1 -8.075 -3.443 5.608 4 HA ASN 1 HA ASN 1 -7.542 -5.109 4.031 5 HB2 ASN 1 HB3 ASN 1 -9.834 -4.829 5.186 6 HB3 ASN 1 HB2 ASN 1 -10.423 -4.252 3.622 7 HD21 ASN 1 HD21 ASN 1 -11.421 -5.776 2.374 8 HD22 ASN 1 HD22 ASN 1 -11.117 -7.497 2.455 9 H VAL 2 H VAL 2 -7.885 -5.990 1.849 10 HA VAL 2 HA VAL 2 -6.955 -4.194 -0.179 11 HB VAL 2 HB VAL 2 -7.859 -7.054 -0.487 12 HG11 VAL 2 HG21 VAL 2 -7.769 -5.871 -2.684 13 HG12 VAL 2 HG22 VAL 2 -6.053 -5.504 -2.379 14 HG13 VAL 2 HG23 VAL 2 -6.587 -7.194 -2.539 15 HG21 VAL 2 HG11 VAL 2 -5.944 -6.804 1.098 16 HG22 VAL 2 HG12 VAL 2 -5.006 -6.040 -0.207 17 HG23 VAL 2 HG13 VAL 2 -5.539 -7.730 -0.366 18 H HIS 3 H HIS 3 -10.196 -5.743 0.144 19 HA HIS 3 HA HIS 3 -11.294 -4.658 -2.251 20 HB2 HIS 3 HB3 HIS 3 -12.055 -6.616 -0.690 21 HB3 HIS 3 HB2 HIS 3 -13.018 -5.356 0.107 22 HD1 HIS 3 HD1 HIS 3 -15.392 -6.374 -0.850 23 HD2 HIS 3 HD2 HIS 3 -12.400 -5.203 -3.697 24 HE1 HIS 3 HE1 HIS 3 -16.392 -6.287 -3.222 25 H THR 4 H THR 4 -11.541 -3.395 1.082 26 HA THR 4 HA THR 4 -13.142 -1.096 0.267 27 HB THR 4 HB THR 4 -12.890 -0.488 2.723 28 HG1 THR 4 HG1 THR 4 -11.820 -3.106 2.946 29 HG21 THR 4 HG21 THR 4 -14.442 -2.198 3.567 30 HG22 THR 4 HG22 THR 4 -14.920 -1.599 1.961 31 HG23 THR 4 HG23 THR 4 -14.136 -3.188 2.120 32 H PHE 5 H PHE 5 -10.053 -1.197 2.115 33 HA PHE 5 HA PHE 5 -9.304 1.484 1.267 34 HB2 PHE 5 HB2 PHE 5 -8.903 0.662 3.510 35 HB3 PHE 5 HB3 PHE 5 -7.906 -0.658 2.905 36 HD1 PHE 5 HD1 PHE 5 -8.053 3.038 3.402 37 HD2 PHE 5 HD2 PHE 5 -5.571 -0.390 2.552 38 HE1 PHE 5 HE1 PHE 5 -6.030 4.366 3.940 39 HE2 PHE 5 HE2 PHE 5 -3.557 0.919 3.182 40 HZ PHE 5 HZ PHE 5 -3.786 3.307 3.862 41 H ARG 6 H ARG 6 -7.599 2.162 0.085 42 HA ARG 6 HA ARG 6 -6.710 0.450 -2.129 43 HB2 ARG 6 HB2 ARG 6 -7.528 3.010 -2.024 44 HB3 ARG 6 HB3 ARG 6 -5.790 3.279 -1.862 45 HG2 ARG 6 HG3 ARG 6 -7.092 1.754 -4.150 46 HG3 ARG 6 HG2 ARG 6 -6.672 3.473 -4.197 47 HD2 ARG 6 HD3 ARG 6 -4.266 2.862 -3.839 48 HD3 ARG 6 HD2 ARG 6 -4.724 1.150 -3.919 49 HE ARG 6 HE ARG 6 -4.612 3.069 -6.170 50 HH11 ARG 6 HH11 ARG 6 -4.662 2.240 -8.215 51 HH12 ARG 6 HH12 ARG 6 -5.065 0.563 -8.507 52 HH21 ARG 6 HH21 ARG 6 -5.545 -0.824 -6.818 53 HH22 ARG 6 HH22 ARG 6 -5.526 -0.261 -5.162 54 H GLY 7 H GLY 7 -4.887 2.812 -0.160 55 HA2 GLY 7 HA3 GLY 7 -3.010 2.362 1.257 56 HA3 GLY 7 HA2 GLY 7 -2.798 0.792 0.465 57 H ILE 8 H ILE 8 -2.786 4.264 -0.434 58 HA ILE 8 HA ILE 8 -0.820 3.979 -2.542 59 HB ILE 8 HB ILE 8 -1.895 6.425 -1.110 60 HG12 ILE 8 HG13 ILE 8 -3.099 6.536 -3.548 61 HG13 ILE 8 HG12 ILE 8 -3.045 4.786 -3.297 62 HG21 ILE 8 HG21 ILE 8 0.237 6.880 -2.293 63 HG22 ILE 8 HG22 ILE 8 -1.143 7.783 -2.962 64 HG23 ILE 8 HG23 ILE 8 -0.521 6.350 -3.814 65 HD11 ILE 8 HD11 ILE 8 -5.186 5.722 -2.530 66 HD12 ILE 8 HD12 ILE 8 -4.271 5.035 -1.167 67 HD13 ILE 8 HD13 ILE 8 -4.325 6.798 -1.403 68 H ASN 9 H ASN 9 -0.678 5.630 0.633 69 HA ASN 9 HA ASN 9 2.144 5.973 0.755 70 HB2 ASN 9 HB3 ASN 9 0.292 7.200 1.986 71 HB3 ASN 9 HB2 ASN 9 0.283 5.846 3.121 72 HD21 ASN 9 HD21 ASN 9 2.959 8.799 3.743 73 HD22 ASN 9 HD22 ASN 9 1.704 8.945 2.533 74 H GLY 10 H GLY 10 0.129 3.388 2.260 75 HA2 GLY 10 HA2 GLY 10 2.103 1.997 3.701 76 HA3 GLY 10 HA3 GLY 10 0.678 1.246 2.966 77 H HIS 11 H HIS 11 1.153 1.340 0.275 78 HA HIS 11 HA HIS 11 3.147 -0.678 -0.208 79 HB2 HIS 11 HB3 HIS 11 1.311 1.020 -1.900 80 HB3 HIS 11 HB2 HIS 11 2.581 0.064 -2.681 81 HD1 HIS 11 HD1 HIS 11 1.910 -2.522 -3.180 82 HD2 HIS 11 HD2 HIS 11 -0.403 -0.373 -0.298 83 HE1 HIS 11 HE1 HIS 11 -0.132 -3.921 -2.448 84 H ASN 12 H ASN 12 3.210 2.905 -0.707 85 HA ASN 12 HA ASN 12 5.603 3.069 -2.217 86 HB2 ASN 12 HB3 ASN 12 3.887 4.856 -1.868 87 HB3 ASN 12 HB2 ASN 12 4.535 5.107 -0.242 88 HD21 ASN 12 HD21 ASN 12 5.247 5.478 -3.732 89 HD22 ASN 12 HD22 ASN 12 6.526 6.652 -3.518 90 H SER 13 H SER 13 5.300 2.672 1.331 91 HA SER 13 HA SER 13 8.241 2.868 1.614 92 HB2 SER 13 HB3 SER 13 5.961 3.297 3.515 93 HB3 SER 13 HB2 SER 13 7.527 2.763 4.167 94 HG SER 13 HG SER 13 7.358 5.068 4.041 95 H SER 14 H SER 14 5.579 0.480 2.415 96 HA SER 14 HA SER 14 7.498 -1.401 3.434 97 HB2 SER 14 HB3 SER 14 5.178 -1.412 4.185 98 HB3 SER 14 HB2 SER 14 4.692 -2.072 2.609 99 HG SER 14 HG SER 14 5.044 -3.720 4.192 100 H SER 15 H SER 15 5.943 -1.273 0.179 101 HA SER 15 HA SER 15 7.440 -3.534 -0.816 102 HB2 SER 15 HB3 SER 15 5.300 -2.567 -1.771 103 HB3 SER 15 HB2 SER 15 6.274 -1.234 -2.429 104 HG SER 15 HG SER 15 5.984 -2.956 -3.948 105 H SER 16 H SER 16 8.553 -0.274 -0.124 106 HA SER 16 HA SER 16 10.762 -0.340 -2.083 107 HB2 SER 16 HB3 SER 16 9.536 1.776 -1.599 108 HB3 SER 16 HB2 SER 16 10.082 1.689 0.091 109 HG SER 16 HG SER 16 11.442 3.030 -1.215 110 H LEU 17 H LEU 17 12.575 -1.423 -1.675 111 HA LEU 17 HA LEU 17 13.247 -2.453 0.973 112 HB2 LEU 17 HB2 LEU 17 14.411 -2.613 -1.802 113 HB3 LEU 17 HB3 LEU 17 15.327 -3.226 -0.423 114 HG LEU 17 HG LEU 17 14.119 -4.934 -1.709 115 HD11 LEU 17 HD11 LEU 17 14.770 -5.284 0.653 116 HD12 LEU 17 HD12 LEU 17 13.405 -6.288 0.108 117 HD13 LEU 17 HD13 LEU 17 13.108 -4.863 1.133 118 HD21 LEU 17 HD21 LEU 17 12.030 -3.741 -2.287 119 HD22 LEU 17 HD22 LEU 17 11.787 -5.377 -1.628 120 HD23 LEU 17 HD23 LEU 17 11.489 -3.952 -0.605 Start of MODEL 19 1 H1 ASN 1 H1 ASN 1 -7.793 -4.533 4.582 2 H2 ASN 1 H2 ASN 1 -9.334 -3.946 4.566 3 H3 ASN 1 H3 ASN 1 -8.996 -5.354 5.356 4 HA ASN 1 HA ASN 1 -8.480 -6.475 3.351 5 HB2 ASN 1 HB3 ASN 1 -10.852 -6.202 4.315 6 HB3 ASN 1 HB2 ASN 1 -11.123 -5.019 3.031 7 HD21 ASN 1 HD21 ASN 1 -10.404 -8.492 3.635 8 HD22 ASN 1 HD22 ASN 1 -11.082 -9.059 2.125 9 H VAL 2 H VAL 2 -8.535 -6.540 1.028 10 HA VAL 2 HA VAL 2 -7.168 -4.363 -0.230 11 HB VAL 2 HB VAL 2 -8.355 -6.824 -1.512 12 HG11 VAL 2 HG21 VAL 2 -7.844 -5.057 -3.199 13 HG12 VAL 2 HG22 VAL 2 -6.152 -5.066 -2.649 14 HG13 VAL 2 HG23 VAL 2 -6.857 -6.526 -3.385 15 HG21 VAL 2 HG11 VAL 2 -6.644 -7.364 0.226 16 HG22 VAL 2 HG12 VAL 2 -5.462 -6.391 -0.683 17 HG23 VAL 2 HG13 VAL 2 -6.167 -7.850 -1.418 18 H HIS 3 H HIS 3 -10.588 -5.424 -0.649 19 HA HIS 3 HA HIS 3 -11.295 -3.563 -2.674 20 HB2 HIS 3 HB3 HIS 3 -12.467 -5.715 -1.750 21 HB3 HIS 3 HB2 HIS 3 -13.301 -4.573 -0.676 22 HD1 HIS 3 HD1 HIS 3 -12.749 -5.092 -4.541 23 HD2 HIS 3 HD2 HIS 3 -15.367 -3.296 -1.650 24 HE1 HIS 3 HE1 HIS 3 -14.830 -4.111 -5.696 25 H THR 4 H THR 4 -11.679 -3.222 0.862 26 HA THR 4 HA THR 4 -12.831 -0.561 0.696 27 HB THR 4 HB THR 4 -12.544 -0.649 3.219 28 HG1 THR 4 HG1 THR 4 -12.077 -2.657 4.134 29 HG21 THR 4 HG21 THR 4 -14.339 -2.278 3.630 30 HG22 THR 4 HG22 THR 4 -14.152 -2.902 1.974 31 HG23 THR 4 HG23 THR 4 -14.699 -1.229 2.239 32 H PHE 5 H PHE 5 -9.819 -1.628 2.356 33 HA PHE 5 HA PHE 5 -8.636 1.049 2.149 34 HB2 PHE 5 HB3 PHE 5 -7.547 -1.557 3.287 35 HB3 PHE 5 HB2 PHE 5 -6.699 -0.009 3.333 36 HD1 PHE 5 HD1 PHE 5 -9.782 -1.772 4.515 37 HD2 PHE 5 HD2 PHE 5 -7.059 1.500 5.161 38 HE1 PHE 5 HE1 PHE 5 -10.842 -1.328 6.733 39 HE2 PHE 5 HE2 PHE 5 -8.102 1.923 7.369 40 HZ PHE 5 HZ PHE 5 -9.980 0.516 8.154 41 H ARG 6 H ARG 6 -7.358 1.765 0.584 42 HA ARG 6 HA ARG 6 -6.501 0.005 -1.601 43 HB2 ARG 6 HB2 ARG 6 -7.505 2.497 -1.551 44 HB3 ARG 6 HB3 ARG 6 -5.786 2.906 -1.557 45 HG2 ARG 6 HG3 ARG 6 -7.134 1.147 -3.641 46 HG3 ARG 6 HG2 ARG 6 -6.895 2.893 -3.810 47 HD2 ARG 6 HD3 ARG 6 -4.419 2.540 -3.644 48 HD3 ARG 6 HD2 ARG 6 -4.704 0.791 -3.590 49 HE ARG 6 HE ARG 6 -4.982 2.567 -5.944 50 HH11 ARG 6 HH11 ARG 6 -5.121 1.613 -7.928 51 HH12 ARG 6 HH12 ARG 6 -5.374 -0.110 -8.092 52 HH21 ARG 6 HH21 ARG 6 -5.561 -1.429 -6.297 53 HH22 ARG 6 HH22 ARG 6 -5.460 -0.766 -4.681 54 H GLY 7 H GLY 7 -4.730 2.585 0.108 55 HA2 GLY 7 HA3 GLY 7 -2.693 2.375 1.341 56 HA3 GLY 7 HA2 GLY 7 -2.408 0.794 0.588 57 H ILE 8 H ILE 8 -2.791 4.231 -0.393 58 HA ILE 8 HA ILE 8 -1.075 4.008 -2.716 59 HB ILE 8 HB ILE 8 -2.142 6.428 -1.239 60 HG12 ILE 8 HG13 ILE 8 -3.629 6.369 -3.512 61 HG13 ILE 8 HG12 ILE 8 -3.414 4.637 -3.233 62 HG21 ILE 8 HG21 ILE 8 -0.198 6.974 -2.681 63 HG22 ILE 8 HG22 ILE 8 -1.704 7.757 -3.212 64 HG23 ILE 8 HG23 ILE 8 -1.086 6.333 -4.084 65 HD11 ILE 8 HD11 ILE 8 -5.517 5.436 -2.244 66 HD12 ILE 8 HD12 ILE 8 -4.404 4.856 -0.982 67 HD13 ILE 8 HD13 ILE 8 -4.618 6.604 -1.246 68 H ASN 9 H ASN 9 -0.672 5.786 0.360 69 HA ASN 9 HA ASN 9 2.176 6.139 0.111 70 HB2 ASN 9 HB2 ASN 9 0.418 7.556 1.330 71 HB3 ASN 9 HB3 ASN 9 0.612 6.422 2.667 72 HD21 ASN 9 HD21 ASN 9 1.108 8.785 3.584 73 HD22 ASN 9 HD22 ASN 9 2.808 9.200 3.606 74 H GLY 10 H GLY 10 0.232 3.880 2.123 75 HA2 GLY 10 HA2 GLY 10 2.231 2.663 3.656 76 HA3 GLY 10 HA3 GLY 10 0.771 1.842 3.086 77 H HIS 11 H HIS 11 1.137 1.465 0.424 78 HA HIS 11 HA HIS 11 3.131 -0.608 0.223 79 HB2 HIS 11 HB3 HIS 11 1.290 0.771 -1.758 80 HB3 HIS 11 HB2 HIS 11 2.449 -0.465 -2.270 81 HD1 HIS 11 HD1 HIS 11 -0.768 -0.175 -0.017 82 HD2 HIS 11 HD2 HIS 11 1.817 -2.956 -1.994 83 HE1 HIS 11 HE1 HIS 11 -1.826 -2.520 -0.033 84 H ASN 12 H ASN 12 3.104 2.831 -0.928 85 HA ASN 12 HA ASN 12 5.421 2.744 -2.546 86 HB2 ASN 12 HB3 ASN 12 3.707 4.554 -2.439 87 HB3 ASN 12 HB2 ASN 12 4.417 5.089 -0.911 88 HD21 ASN 12 HD21 ASN 12 6.258 6.046 -4.488 89 HD22 ASN 12 HD22 ASN 12 4.997 4.835 -4.439 90 H SER 13 H SER 13 5.327 2.934 1.031 91 HA SER 13 HA SER 13 8.288 3.131 1.055 92 HB2 SER 13 HB3 SER 13 6.206 4.263 2.822 93 HB3 SER 13 HB2 SER 13 7.634 3.606 3.654 94 HG SER 13 HG SER 13 7.914 5.816 3.020 95 H SER 14 H SER 14 5.639 1.017 2.394 96 HA SER 14 HA SER 14 7.578 -0.582 3.815 97 HB2 SER 14 HB3 SER 14 5.284 -0.391 4.614 98 HB3 SER 14 HB2 SER 14 4.739 -1.375 3.240 99 HG SER 14 HG SER 14 5.120 -2.637 5.139 100 H SER 15 H SER 15 5.932 -1.167 0.654 101 HA SER 15 HA SER 15 7.377 -3.625 0.174 102 HB2 SER 15 HB3 SER 15 6.080 -1.732 -1.823 103 HB3 SER 15 HB2 SER 15 6.602 -3.397 -2.151 104 HG SER 15 HG SER 15 4.347 -3.253 -1.673 105 H SER 16 H SER 16 8.609 -0.350 0.108 106 HA SER 16 HA SER 16 10.558 -0.821 -2.031 107 HB2 SER 16 HB2 SER 16 11.316 1.439 -1.635 108 HB3 SER 16 HB3 SER 16 9.544 1.412 -1.710 109 HG SER 16 HG SER 16 10.340 2.701 0.028 110 H LEU 17 H LEU 17 12.493 -1.721 -1.847 111 HA LEU 17 HA LEU 17 13.501 -2.656 0.728 112 HB2 LEU 17 HB2 LEU 17 14.327 -2.869 -2.162 113 HB3 LEU 17 HB3 LEU 17 15.429 -3.405 -0.892 114 HG LEU 17 HG LEU 17 14.120 -5.187 -1.975 115 HD11 LEU 17 HD11 LEU 17 15.108 -5.452 0.280 116 HD12 LEU 17 HD12 LEU 17 13.517 -5.072 0.980 117 HD13 LEU 17 HD13 LEU 17 13.717 -6.515 -0.043 118 HD21 LEU 17 HD21 LEU 17 11.926 -4.081 -2.276 119 HD22 LEU 17 HD22 LEU 17 11.839 -5.706 -1.552 120 HD23 LEU 17 HD23 LEU 17 11.638 -4.264 -0.528 Start of MODEL 20 1 H1 ASN 1 H1 ASN 1 -10.620 -4.094 5.080 2 H2 ASN 1 H2 ASN 1 -10.094 -3.271 6.409 3 H3 ASN 1 H3 ASN 1 -9.154 -4.453 5.747 4 HA ASN 1 HA ASN 1 -9.855 -1.863 4.591 5 HB2 ASN 1 HB3 ASN 1 -8.201 -2.092 6.502 6 HB3 ASN 1 HB2 ASN 1 -7.126 -2.896 5.353 7 HD21 ASN 1 HD21 ASN 1 -5.686 0.164 4.403 8 HD22 ASN 1 HD22 ASN 1 -5.501 -1.541 4.751 9 H VAL 2 H VAL 2 -9.570 -4.904 3.489 10 HA VAL 2 HA VAL 2 -7.954 -4.531 1.114 11 HB VAL 2 HB VAL 2 -9.815 -6.802 1.816 12 HG11 VAL 2 HG21 VAL 2 -9.350 -6.697 -0.632 13 HG12 VAL 2 HG22 VAL 2 -7.611 -6.824 -0.276 14 HG13 VAL 2 HG23 VAL 2 -8.706 -8.160 0.150 15 HG21 VAL 2 HG11 VAL 2 -7.914 -6.581 3.421 16 HG22 VAL 2 HG12 VAL 2 -7.879 -8.095 2.485 17 HG23 VAL 2 HG13 VAL 2 -6.783 -6.758 2.059 18 H HIS 3 H HIS 3 -11.519 -4.902 1.558 19 HA HIS 3 HA HIS 3 -12.254 -4.312 -1.125 20 HB2 HIS 3 HB3 HIS 3 -13.544 -5.385 0.895 21 HB3 HIS 3 HB2 HIS 3 -14.070 -3.717 1.199 22 HD1 HIS 3 HD1 HIS 3 -14.125 -6.303 -1.771 23 HD2 HIS 3 HD2 HIS 3 -16.094 -2.831 -0.194 24 HE1 HIS 3 HE1 HIS 3 -16.222 -5.746 -3.161 25 H THR 4 H THR 4 -12.027 -2.099 1.663 26 HA THR 4 HA THR 4 -13.033 0.217 0.251 27 HB THR 4 HB THR 4 -12.247 1.409 2.352 28 HG1 THR 4 HG1 THR 4 -11.680 0.124 4.115 29 HG21 THR 4 HG21 THR 4 -13.983 0.497 3.838 30 HG22 THR 4 HG22 THR 4 -14.156 -0.913 2.767 31 HG23 THR 4 HG23 THR 4 -14.577 0.711 2.174 32 H PHE 5 H PHE 5 -9.787 -0.226 1.759 33 HA PHE 5 HA PHE 5 -8.597 1.749 -0.061 34 HB2 PHE 5 HB3 PHE 5 -8.143 1.509 2.437 35 HB3 PHE 5 HB2 PHE 5 -7.245 0.044 2.045 36 HD1 PHE 5 HD1 PHE 5 -7.252 3.727 1.833 37 HD2 PHE 5 HD2 PHE 5 -4.994 0.089 1.328 38 HE1 PHE 5 HE1 PHE 5 -5.145 5.009 2.056 39 HE2 PHE 5 HE2 PHE 5 -2.879 1.373 1.586 40 HZ PHE 5 HZ PHE 5 -2.971 3.843 1.993 41 H ARG 6 H ARG 6 -7.031 1.447 -1.537 42 HA ARG 6 HA ARG 6 -6.834 -1.163 -2.869 43 HB2 ARG 6 HB3 ARG 6 -6.967 1.468 -3.693 44 HB3 ARG 6 HB2 ARG 6 -5.241 1.126 -3.855 45 HG2 ARG 6 HG2 ARG 6 -6.109 0.677 -5.975 46 HG3 ARG 6 HG3 ARG 6 -5.916 -0.922 -5.243 47 HD2 ARG 6 HD3 ARG 6 -8.361 -0.969 -4.742 48 HD3 ARG 6 HD2 ARG 6 -8.534 0.625 -5.501 49 HE ARG 6 HE ARG 6 -8.088 -1.960 -6.875 50 HH11 ARG 6 HH11 ARG 6 -8.667 -0.567 -9.983 51 HH12 ARG 6 HH12 ARG 6 -8.437 -2.029 -9.051 52 HH21 ARG 6 HH21 ARG 6 -8.620 1.445 -9.009 53 HH22 ARG 6 HH22 ARG 6 -8.352 1.602 -7.287 54 H GLY 7 H GLY 7 -4.258 1.235 -2.310 55 HA2 GLY 7 HA3 GLY 7 -2.698 -0.030 -0.366 56 HA3 GLY 7 HA2 GLY 7 -2.205 -0.766 -1.899 57 H ILE 8 H ILE 8 -2.953 2.549 -0.753 58 HA ILE 8 HA ILE 8 -0.859 3.792 -2.338 59 HB ILE 8 HB ILE 8 -2.643 4.861 -0.133 60 HG12 ILE 8 HG13 ILE 8 -3.650 6.011 -2.384 61 HG13 ILE 8 HG12 ILE 8 -3.140 4.445 -3.028 62 HG21 ILE 8 HG21 ILE 8 -0.626 6.262 -0.474 63 HG22 ILE 8 HG22 ILE 8 -2.141 7.105 -0.880 64 HG23 ILE 8 HG23 ILE 8 -1.094 6.481 -2.178 65 HD11 ILE 8 HD11 ILE 8 -5.505 4.395 -2.361 66 HD12 ILE 8 HD12 ILE 8 -4.544 3.279 -1.363 67 HD13 ILE 8 HD13 ILE 8 -5.058 4.848 -0.699 68 H ASN 9 H ASN 9 -1.370 3.513 1.201 69 HA ASN 9 HA ASN 9 1.309 4.172 1.971 70 HB2 ASN 9 HB2 ASN 9 -0.892 4.341 3.263 71 HB3 ASN 9 HB3 ASN 9 -0.652 2.642 3.668 72 HD21 ASN 9 HD21 ASN 9 0.643 4.390 6.617 73 HD22 ASN 9 HD22 ASN 9 -0.882 3.936 5.890 74 H GLY 10 H GLY 10 -0.303 0.962 1.702 75 HA2 GLY 10 HA2 GLY 10 1.688 -0.731 2.697 76 HA3 GLY 10 HA3 GLY 10 0.574 -1.164 1.392 77 H HIS 11 H HIS 11 1.397 0.240 -0.766 78 HA HIS 11 HA HIS 11 3.861 -1.014 -1.594 79 HB2 HIS 11 HB2 HIS 11 1.970 1.009 -2.818 80 HB3 HIS 11 HB3 HIS 11 3.480 0.573 -3.631 81 HD1 HIS 11 HD1 HIS 11 0.070 -1.085 -2.571 82 HD2 HIS 11 HD2 HIS 11 3.558 -1.640 -4.991 83 HE1 HIS 11 HE1 HIS 11 -0.249 -3.084 -4.158 84 H ASN 12 H ASN 12 3.098 2.390 -0.563 85 HA ASN 12 HA ASN 12 5.587 3.556 -1.257 86 HB2 ASN 12 HB3 ASN 12 3.488 4.745 -0.615 87 HB3 ASN 12 HB2 ASN 12 3.799 4.311 1.071 88 HD21 ASN 12 HD21 ASN 12 4.966 6.314 -1.664 89 HD22 ASN 12 HD22 ASN 12 5.889 7.423 -0.675 90 H SER 13 H SER 13 4.860 1.529 1.558 91 HA SER 13 HA SER 13 7.471 2.014 2.847 92 HB2 SER 13 HB2 SER 13 6.428 0.711 4.690 93 HB3 SER 13 HB3 SER 13 5.376 2.041 4.173 94 HG SER 13 HG SER 13 3.994 0.379 4.239 95 H SER 14 H SER 14 5.601 -0.891 1.670 96 HA SER 14 HA SER 14 7.826 -2.631 2.148 97 HB2 SER 14 HB3 SER 14 5.526 -3.430 2.235 98 HB3 SER 14 HB2 SER 14 5.445 -3.322 0.463 99 HG SER 14 HG SER 14 6.042 -5.431 1.197 100 H SER 15 H SER 15 6.748 -1.125 -0.940 101 HA SER 15 HA SER 15 8.881 -2.339 -2.465 102 HB2 SER 15 HB3 SER 15 7.420 0.260 -3.066 103 HB3 SER 15 HB2 SER 15 8.398 -0.692 -4.201 104 HG SER 15 HG SER 15 6.137 -1.113 -4.409 105 H SER 16 H SER 16 9.028 0.299 -0.106 106 HA SER 16 HA SER 16 11.588 1.321 -1.220 107 HB2 SER 16 HB3 SER 16 9.851 2.314 1.080 108 HB3 SER 16 HB2 SER 16 11.395 3.046 0.591 109 HG SER 16 HG SER 16 9.572 4.093 -0.372 110 H LEU 17 H LEU 17 13.202 -0.083 -0.789 111 HA LEU 17 HA LEU 17 13.365 -1.621 1.699 112 HB2 LEU 17 HB2 LEU 17 14.988 -1.351 -0.827 113 HB3 LEU 17 HB3 LEU 17 15.649 -2.226 0.556 114 HG LEU 17 HG LEU 17 14.653 -3.636 -1.196 115 HD11 LEU 17 HD11 LEU 17 14.908 -4.417 1.139 116 HD12 LEU 17 HD12 LEU 17 13.639 -5.258 0.216 117 HD13 LEU 17 HD13 LEU 17 13.195 -4.022 1.418 118 HD21 LEU 17 HD21 LEU 17 12.694 -2.283 -1.873 119 HD22 LEU 17 HD22 LEU 17 12.332 -3.998 -1.562 120 HD23 LEU 17 HD23 LEU 17 11.888 -2.762 -0.360 Start of MODEL 21 1 H1 ASN 1 H1 ASN 1 -11.419 5.092 1.816 2 H2 ASN 1 H2 ASN 1 -11.099 3.822 0.815 3 H3 ASN 1 H3 ASN 1 -12.376 4.817 0.501 4 HA ASN 1 HA ASN 1 -13.523 4.123 2.441 5 HB2 ASN 1 HB3 ASN 1 -13.572 2.884 0.170 6 HB3 ASN 1 HB2 ASN 1 -12.576 1.655 0.960 7 HD21 ASN 1 HD21 ASN 1 -15.812 3.186 0.943 8 HD22 ASN 1 HD22 ASN 1 -16.620 1.884 1.787 9 H VAL 2 H VAL 2 -13.724 2.739 4.238 10 HA VAL 2 HA VAL 2 -11.205 2.315 5.677 11 HB VAL 2 HB VAL 2 -14.030 2.167 6.718 12 HG11 VAL 2 HG21 VAL 2 -12.464 0.812 8.109 13 HG12 VAL 2 HG22 VAL 2 -11.482 2.273 8.372 14 HG13 VAL 2 HG23 VAL 2 -13.156 2.206 8.973 15 HG21 VAL 2 HG11 VAL 2 -13.358 4.472 6.035 16 HG22 VAL 2 HG12 VAL 2 -13.671 4.312 7.780 17 HG23 VAL 2 HG13 VAL 2 -11.998 4.380 7.179 18 H HIS 3 H HIS 3 -14.078 0.203 5.022 19 HA HIS 3 HA HIS 3 -12.910 -2.179 6.023 20 HB2 HIS 3 HB3 HIS 3 -15.375 -1.546 5.468 21 HB3 HIS 3 HB2 HIS 3 -15.008 -2.236 3.873 22 HD1 HIS 3 HD1 HIS 3 -14.869 -3.351 7.648 23 HD2 HIS 3 HD2 HIS 3 -15.137 -4.838 3.629 24 HE1 HIS 3 HE1 HIS 3 -15.235 -5.900 7.652 25 H THR 4 H THR 4 -13.028 -1.081 2.625 26 HA THR 4 HA THR 4 -11.397 -3.328 1.710 27 HB THR 4 HB THR 4 -11.578 -2.109 -0.522 28 HG1 THR 4 HG1 THR 4 -12.181 -0.056 0.364 29 HG21 THR 4 HG21 THR 4 -13.901 -2.789 -0.958 30 HG22 THR 4 HG22 THR 4 -13.001 -4.032 -0.057 31 HG23 THR 4 HG23 THR 4 -14.168 -2.989 0.790 32 H PHE 5 H PHE 5 -10.930 0.216 1.213 33 HA PHE 5 HA PHE 5 -9.134 1.581 1.299 34 HB2 PHE 5 HB2 PHE 5 -8.851 0.747 3.592 35 HB3 PHE 5 HB3 PHE 5 -7.720 -0.473 3.006 36 HD1 PHE 5 HD1 PHE 5 -8.191 3.168 3.571 37 HD2 PHE 5 HD2 PHE 5 -5.444 -0.012 2.634 38 HE1 PHE 5 HE1 PHE 5 -6.280 4.689 4.030 39 HE2 PHE 5 HE2 PHE 5 -3.539 1.474 3.193 40 HZ PHE 5 HZ PHE 5 -3.953 3.843 3.852 41 H ARG 6 H ARG 6 -7.485 2.211 0.096 42 HA ARG 6 HA ARG 6 -6.532 0.386 -2.002 43 HB2 ARG 6 HB2 ARG 6 -7.429 2.860 -2.188 44 HB3 ARG 6 HB3 ARG 6 -5.751 3.283 -1.841 45 HG2 ARG 6 HG3 ARG 6 -6.666 1.557 -4.176 46 HG3 ARG 6 HG2 ARG 6 -6.319 3.291 -4.266 47 HD2 ARG 6 HD3 ARG 6 -3.955 2.741 -3.461 48 HD3 ARG 6 HD2 ARG 6 -4.361 1.034 -3.725 49 HE ARG 6 HE ARG 6 -4.998 2.261 -6.134 50 HH11 ARG 6 HH11 ARG 6 -1.967 2.063 -4.205 51 HH12 ARG 6 HH12 ARG 6 -0.971 2.202 -5.635 52 HH21 ARG 6 HH21 ARG 6 -1.895 2.405 -7.664 53 HH22 ARG 6 HH22 ARG 6 -3.632 2.429 -7.869 54 H GLY 7 H GLY 7 -4.765 2.924 -0.234 55 HA2 GLY 7 HA3 GLY 7 -2.898 2.631 1.236 56 HA3 GLY 7 HA2 GLY 7 -2.658 0.997 0.591 57 H ILE 8 H ILE 8 -2.690 4.377 -0.636 58 HA ILE 8 HA ILE 8 -0.719 3.928 -2.704 59 HB ILE 8 HB ILE 8 -1.782 6.484 -1.472 60 HG12 ILE 8 HG13 ILE 8 -2.991 6.427 -3.898 61 HG13 ILE 8 HG12 ILE 8 -2.926 4.695 -3.548 62 HG21 ILE 8 HG21 ILE 8 0.351 6.836 -2.690 63 HG22 ILE 8 HG22 ILE 8 -0.411 6.189 -4.163 64 HG23 ILE 8 HG23 ILE 8 -1.026 7.688 -3.426 65 HD11 ILE 8 HD11 ILE 8 -5.075 5.659 -2.843 66 HD12 ILE 8 HD12 ILE 8 -4.160 5.055 -1.440 67 HD13 ILE 8 HD13 ILE 8 -4.225 6.801 -1.775 68 H ASN 9 H ASN 9 -0.569 5.823 0.332 69 HA ASN 9 HA ASN 9 2.249 6.193 0.417 70 HB2 ASN 9 HB2 ASN 9 0.355 7.444 1.583 71 HB3 ASN 9 HB3 ASN 9 0.446 6.200 2.830 72 HD21 ASN 9 HD21 ASN 9 2.448 8.928 4.234 73 HD22 ASN 9 HD22 ASN 9 0.774 8.473 4.001 74 H GLY 10 H GLY 10 0.264 3.715 2.119 75 HA2 GLY 10 HA2 GLY 10 2.262 2.448 3.645 76 HA3 GLY 10 HA3 GLY 10 0.829 1.639 2.992 77 H HIS 11 H HIS 11 1.269 1.527 0.287 78 HA HIS 11 HA HIS 11 3.264 -0.515 -0.054 79 HB2 HIS 11 HB3 HIS 11 1.396 1.022 -1.848 80 HB3 HIS 11 HB2 HIS 11 2.696 0.068 -2.583 81 HD1 HIS 11 HD1 HIS 11 2.208 -2.605 -2.806 82 HD2 HIS 11 HD2 HIS 11 -0.314 -0.310 -0.226 83 HE1 HIS 11 HE1 HIS 11 0.244 -4.048 -1.957 84 H ASN 12 H ASN 12 3.320 3.022 -0.825 85 HA ASN 12 HA ASN 12 5.688 3.096 -2.360 86 HB2 ASN 12 HB2 ASN 12 3.977 4.896 -2.044 87 HB3 ASN 12 HB3 ASN 12 4.699 5.252 -0.469 88 HD21 ASN 12 HD21 ASN 12 6.397 6.724 -0.397 89 HD22 ASN 12 HD22 ASN 12 7.217 7.345 -1.812 90 H SER 13 H SER 13 5.483 2.830 1.204 91 HA SER 13 HA SER 13 8.441 2.985 1.362 92 HB2 SER 13 HB3 SER 13 6.275 3.780 3.254 93 HB3 SER 13 HB2 SER 13 7.784 3.152 3.953 94 HG SER 13 HG SER 13 7.852 5.440 3.602 95 H SER 14 H SER 14 5.716 0.797 2.443 96 HA SER 14 HA SER 14 7.575 -1.038 3.635 97 HB2 SER 14 HB3 SER 14 5.277 -0.883 4.410 98 HB3 SER 14 HB2 SER 14 4.732 -1.663 2.910 99 HG SER 14 HG SER 14 5.035 -3.172 4.636 100 H SER 15 H SER 15 5.962 -1.214 0.410 101 HA SER 15 HA SER 15 7.395 -3.611 -0.345 102 HB2 SER 15 HB3 SER 15 6.134 -1.496 -2.135 103 HB3 SER 15 HB2 SER 15 6.632 -3.127 -2.628 104 HG SER 15 HG SER 15 4.374 -2.993 -2.160 105 H SER 16 H SER 16 8.579 -0.333 -0.047 106 HA SER 16 HA SER 16 10.703 -0.616 -2.075 107 HB2 SER 16 HB3 SER 16 9.527 1.555 -1.707 108 HB3 SER 16 HB2 SER 16 10.155 1.595 -0.045 109 HG SER 16 HG SER 16 11.465 2.803 -1.519 110 H LEU 17 H LEU 17 12.526 -1.677 -1.662 111 HA LEU 17 HA LEU 17 13.299 -2.511 1.029 112 HB2 LEU 17 HB2 LEU 17 14.344 -2.899 -1.772 113 HB3 LEU 17 HB3 LEU 17 15.312 -3.414 -0.389 114 HG LEU 17 HG LEU 17 14.036 -5.201 -1.490 115 HD11 LEU 17 HD11 LEU 17 14.788 -5.378 0.863 116 HD12 LEU 17 HD12 LEU 17 13.393 -6.405 0.456 117 HD13 LEU 17 HD13 LEU 17 13.153 -4.904 1.381 118 HD21 LEU 17 HD21 LEU 17 11.932 -4.033 -2.065 119 HD22 LEU 17 HD22 LEU 17 11.706 -5.610 -1.273 120 HD23 LEU 17 HD23 LEU 17 11.466 -4.109 -0.348 Start of MODEL 22 1 H1 ASN 1 H1 ASN 1 -4.162 8.681 5.221 2 H2 ASN 1 H2 ASN 1 -5.640 8.361 5.876 3 H3 ASN 1 H3 ASN 1 -4.595 9.373 6.653 4 HA ASN 1 HA ASN 1 -3.063 7.629 7.069 5 HB2 ASN 1 HB2 ASN 1 -5.157 8.171 8.523 6 HB3 ASN 1 HB3 ASN 1 -5.802 6.639 7.916 7 HD21 ASN 1 HD21 ASN 1 -5.457 4.906 9.260 8 HD22 ASN 1 HD22 ASN 1 -4.136 4.763 10.398 9 H VAL 2 H VAL 2 -2.495 5.422 6.995 10 HA VAL 2 HA VAL 2 -2.966 4.104 4.504 11 HB VAL 2 HB VAL 2 -1.563 3.043 6.952 12 HG11 VAL 2 HG11 VAL 2 -2.200 1.191 5.402 13 HG12 VAL 2 HG12 VAL 2 -1.293 2.006 4.105 14 HG13 VAL 2 HG13 VAL 2 -0.440 1.416 5.552 15 HG21 VAL 2 HG21 VAL 2 -0.506 5.098 5.999 16 HG22 VAL 2 HG22 VAL 2 -0.321 4.247 4.447 17 HG23 VAL 2 HG23 VAL 2 0.531 3.656 5.894 18 H HIS 3 H HIS 3 -4.271 3.279 7.753 19 HA HIS 3 HA HIS 3 -5.663 0.917 7.086 20 HB2 HIS 3 HB3 HIS 3 -5.139 2.132 9.354 21 HB3 HIS 3 HB2 HIS 3 -6.744 2.854 9.116 22 HD1 HIS 3 HD1 HIS 3 -5.167 -0.755 9.265 23 HD2 HIS 3 HD2 HIS 3 -8.799 1.447 9.885 24 HE1 HIS 3 HE1 HIS 3 -6.998 -2.289 10.228 25 H THR 4 H THR 4 -6.879 4.267 6.888 26 HA THR 4 HA THR 4 -9.579 3.659 6.187 27 HB THR 4 HB THR 4 -9.571 6.079 5.386 28 HG1 THR 4 HG1 THR 4 -7.290 6.207 4.994 29 HG21 THR 4 HG21 THR 4 -9.412 7.075 7.628 30 HG22 THR 4 HG22 THR 4 -8.657 5.581 8.235 31 HG23 THR 4 HG23 THR 4 -10.334 5.553 7.638 32 H PHE 5 H PHE 5 -7.035 5.004 4.017 33 HA PHE 5 HA PHE 5 -8.465 4.256 1.627 34 HB2 PHE 5 HB2 PHE 5 -6.524 5.110 0.414 35 HB3 PHE 5 HB3 PHE 5 -7.239 6.240 1.547 36 HD1 PHE 5 HD1 PHE 5 -4.530 3.578 2.011 37 HD2 PHE 5 HD2 PHE 5 -5.518 7.776 1.782 38 HE1 PHE 5 HE1 PHE 5 -2.150 4.166 2.314 39 HE2 PHE 5 HE2 PHE 5 -3.144 8.356 2.177 40 HZ PHE 5 HZ PHE 5 -1.461 6.562 2.461 41 H ARG 6 H ARG 6 -7.188 3.147 -0.242 42 HA ARG 6 HA ARG 6 -7.021 0.354 0.259 43 HB2 ARG 6 HB3 ARG 6 -7.258 2.042 -1.900 44 HB3 ARG 6 HB2 ARG 6 -5.618 1.425 -2.119 45 HG2 ARG 6 HG2 ARG 6 -6.937 -0.002 -3.413 46 HG3 ARG 6 HG3 ARG 6 -6.630 -0.929 -1.937 47 HD2 ARG 6 HD2 ARG 6 -8.897 -0.359 -1.108 48 HD3 ARG 6 HD3 ARG 6 -9.202 0.585 -2.582 49 HE ARG 6 HE ARG 6 -8.425 -2.050 -3.351 50 HH11 ARG 6 HH11 ARG 6 -9.904 -3.557 -4.013 51 HH12 ARG 6 HH12 ARG 6 -11.595 -3.419 -3.584 52 HH21 ARG 6 HH21 ARG 6 -12.340 -1.711 -2.345 53 HH22 ARG 6 HH22 ARG 6 -11.246 -0.470 -1.776 54 H GLY 7 H GLY 7 -4.337 2.380 -0.959 55 HA2 GLY 7 HA3 GLY 7 -2.395 1.929 0.984 56 HA3 GLY 7 HA2 GLY 7 -2.298 0.510 -0.069 57 H ILE 8 H ILE 8 -2.558 4.066 -0.462 58 HA ILE 8 HA ILE 8 -0.868 4.116 -2.834 59 HB ILE 8 HB ILE 8 -1.964 6.332 -1.080 60 HG12 ILE 8 HG13 ILE 8 -3.425 6.569 -3.346 61 HG13 ILE 8 HG12 ILE 8 -3.177 4.819 -3.335 62 HG21 ILE 8 HG21 ILE 8 0.001 7.064 -2.406 63 HG22 ILE 8 HG22 ILE 8 -1.501 7.900 -2.865 64 HG23 ILE 8 HG23 ILE 8 -0.857 6.600 -3.895 65 HD11 ILE 8 HD11 ILE 8 -5.310 5.415 -2.272 66 HD12 ILE 8 HD12 ILE 8 -4.450 6.430 -1.089 67 HD13 ILE 8 HD13 ILE 8 -4.204 4.667 -1.095 68 H ASN 9 H ASN 9 -0.497 5.532 0.438 69 HA ASN 9 HA ASN 9 2.370 5.842 0.269 70 HB2 ASN 9 HB2 ASN 9 0.655 7.215 1.581 71 HB3 ASN 9 HB3 ASN 9 0.744 5.947 2.804 72 HD21 ASN 9 HD21 ASN 9 3.029 8.507 4.086 73 HD22 ASN 9 HD22 ASN 9 1.314 8.185 3.961 74 H GLY 10 H GLY 10 0.294 3.462 1.988 75 HA2 GLY 10 HA2 GLY 10 2.179 2.051 3.490 76 HA3 GLY 10 HA3 GLY 10 0.746 1.321 2.755 77 H HIS 11 H HIS 11 1.230 1.160 0.119 78 HA HIS 11 HA HIS 11 3.243 -0.884 -0.186 79 HB2 HIS 11 HB2 HIS 11 1.455 0.647 -2.098 80 HB3 HIS 11 HB3 HIS 11 2.637 -0.529 -2.689 81 HD1 HIS 11 HD1 HIS 11 -0.663 -0.418 -0.554 82 HD2 HIS 11 HD2 HIS 11 2.021 -3.055 -2.599 83 HE1 HIS 11 HE1 HIS 11 -1.693 -2.769 -0.751 84 H ASN 12 H ASN 12 3.224 2.643 -1.075 85 HA ASN 12 HA ASN 12 5.630 2.666 -2.573 86 HB2 ASN 12 HB2 ASN 12 3.935 4.487 -2.432 87 HB3 ASN 12 HB3 ASN 12 4.550 4.905 -0.827 88 HD21 ASN 12 HD21 ASN 12 7.175 6.927 -2.073 89 HD22 ASN 12 HD22 ASN 12 6.275 6.347 -0.690 90 H SER 13 H SER 13 5.241 2.917 0.990 91 HA SER 13 HA SER 13 8.115 3.150 1.449 92 HB2 SER 13 HB3 SER 13 5.751 3.001 3.360 93 HB3 SER 13 HB2 SER 13 7.442 3.175 3.878 94 HG SER 13 HG SER 13 6.359 5.210 3.683 95 H SER 14 H SER 14 5.670 0.540 2.258 96 HA SER 14 HA SER 14 7.741 -1.122 3.341 97 HB2 SER 14 HB3 SER 14 5.417 -1.300 4.083 98 HB3 SER 14 HB2 SER 14 5.024 -2.112 2.549 99 HG SER 14 HG SER 14 5.530 -3.605 4.240 100 H SER 15 H SER 15 6.228 -1.244 0.057 101 HA SER 15 HA SER 15 7.908 -3.432 -0.792 102 HB2 SER 15 HB3 SER 15 6.639 -1.296 -2.545 103 HB3 SER 15 HB2 SER 15 7.285 -2.860 -3.082 104 HG SER 15 HG SER 15 4.993 -2.897 -2.796 105 H SER 16 H SER 16 8.776 -0.038 -0.267 106 HA SER 16 HA SER 16 11.170 -0.258 -2.013 107 HB2 SER 16 HB3 SER 16 9.783 1.809 -2.140 108 HB3 SER 16 HB2 SER 16 10.115 2.119 -0.421 109 HG SER 16 HG SER 16 11.565 3.256 -1.824 110 H LEU 17 H LEU 17 12.683 -1.505 -1.055 111 HA LEU 17 HA LEU 17 13.148 -1.528 1.836 112 HB2 LEU 17 HB2 LEU 17 14.297 -2.911 -0.583 113 HB3 LEU 17 HB3 LEU 17 15.106 -3.049 0.979 114 HG LEU 17 HG LEU 17 13.665 -4.949 0.376 115 HD11 LEU 17 HD11 LEU 17 14.260 -4.438 2.724 116 HD12 LEU 17 HD12 LEU 17 12.678 -3.645 2.912 117 HD13 LEU 17 HD13 LEU 17 12.764 -5.382 2.532 118 HD21 LEU 17 HD21 LEU 17 11.768 -3.806 -0.728 119 HD22 LEU 17 HD22 LEU 17 11.206 -3.273 0.875 120 HD23 LEU 17 HD23 LEU 17 11.293 -5.010 0.494 Start of MODEL 23 1 H1 ASN 1 H1 ASN 1 -8.824 3.553 6.725 2 H2 ASN 1 H2 ASN 1 -7.777 2.927 7.835 3 H3 ASN 1 H3 ASN 1 -7.729 4.535 7.471 4 HA ASN 1 HA ASN 1 -6.973 4.172 5.319 5 HB2 ASN 1 HB3 ASN 1 -5.518 4.195 7.433 6 HB3 ASN 1 HB2 ASN 1 -5.256 2.475 7.114 7 HD21 ASN 1 HD21 ASN 1 -2.662 3.055 4.803 8 HD22 ASN 1 HD22 ASN 1 -3.497 1.947 5.868 9 H VAL 2 H VAL 2 -8.653 1.549 6.213 10 HA VAL 2 HA VAL 2 -7.768 -0.133 3.931 11 HB VAL 2 HB VAL 2 -9.012 -1.075 6.517 12 HG11 VAL 2 HG21 VAL 2 -9.808 -2.440 4.588 13 HG12 VAL 2 HG22 VAL 2 -8.114 -2.830 4.205 14 HG13 VAL 2 HG23 VAL 2 -8.822 -3.360 5.750 15 HG21 VAL 2 HG11 VAL 2 -6.581 -0.552 6.714 16 HG22 VAL 2 HG12 VAL 2 -6.961 -2.271 6.977 17 HG23 VAL 2 HG13 VAL 2 -6.252 -1.742 5.432 18 H HIS 3 H HIS 3 -10.709 0.818 5.811 19 HA HIS 3 HA HIS 3 -12.632 -0.033 3.890 20 HB2 HIS 3 HB3 HIS 3 -12.789 0.617 6.429 21 HB3 HIS 3 HB2 HIS 3 -13.152 2.235 5.796 22 HD1 HIS 3 HD1 HIS 3 -15.779 2.071 6.633 23 HD2 HIS 3 HD2 HIS 3 -14.344 -0.858 3.843 24 HE1 HIS 3 HE1 HIS 3 -17.747 0.756 5.617 25 H THR 4 H THR 4 -11.320 3.269 4.425 26 HA THR 4 HA THR 4 -12.689 4.265 2.014 27 HB THR 4 HB THR 4 -12.171 5.414 4.475 28 HG1 THR 4 HG1 THR 4 -12.955 6.741 2.103 29 HG21 THR 4 HG21 THR 4 -11.189 7.654 3.919 30 HG22 THR 4 HG22 THR 4 -10.017 6.329 4.115 31 HG23 THR 4 HG23 THR 4 -10.452 6.899 2.486 32 H PHE 5 H PHE 5 -9.328 4.291 3.251 33 HA PHE 5 HA PHE 5 -8.214 4.760 0.578 34 HB2 PHE 5 HB3 PHE 5 -7.370 5.752 2.754 35 HB3 PHE 5 HB2 PHE 5 -6.774 4.148 3.171 36 HD1 PHE 5 HD1 PHE 5 -6.274 7.095 1.008 37 HD2 PHE 5 HD2 PHE 5 -4.695 3.317 2.377 38 HE1 PHE 5 HE1 PHE 5 -3.995 7.822 0.383 39 HE2 PHE 5 HE2 PHE 5 -2.408 4.064 1.762 40 HZ PHE 5 HZ PHE 5 -2.063 6.351 0.807 41 H ARG 6 H ARG 6 -6.890 3.435 -0.599 42 HA ARG 6 HA ARG 6 -7.308 0.533 -0.337 43 HB2 ARG 6 HB3 ARG 6 -7.240 2.294 -2.451 44 HB3 ARG 6 HB2 ARG 6 -5.616 1.599 -2.520 45 HG2 ARG 6 HG2 ARG 6 -6.695 0.150 -3.902 46 HG3 ARG 6 HG3 ARG 6 -6.918 -0.698 -2.369 47 HD2 ARG 6 HD3 ARG 6 -9.010 1.109 -3.642 48 HD3 ARG 6 HD2 ARG 6 -8.935 -0.646 -3.870 49 HE ARG 6 HE ARG 6 -9.453 -0.929 -1.487 50 HH11 ARG 6 HH11 ARG 6 -11.172 2.742 -1.426 51 HH12 ARG 6 HH12 ARG 6 -10.085 2.380 -2.747 52 HH21 ARG 6 HH21 ARG 6 -10.825 -0.344 0.141 53 HH22 ARG 6 HH22 ARG 6 -11.579 1.235 0.170 54 H GLY 7 H GLY 7 -4.377 2.262 -1.383 55 HA2 GLY 7 HA3 GLY 7 -2.692 1.891 0.831 56 HA3 GLY 7 HA2 GLY 7 -2.567 0.401 -0.116 57 H ILE 8 H ILE 8 -2.672 3.912 -0.837 58 HA ILE 8 HA ILE 8 -0.736 3.738 -2.998 59 HB ILE 8 HB ILE 8 -1.960 6.104 -1.550 60 HG12 ILE 8 HG13 ILE 8 -3.181 6.141 -3.982 61 HG13 ILE 8 HG12 ILE 8 -2.997 4.398 -3.746 62 HG21 ILE 8 HG21 ILE 8 0.133 6.707 -2.737 63 HG22 ILE 8 HG22 ILE 8 -0.588 6.127 -4.257 64 HG23 ILE 8 HG23 ILE 8 -1.306 7.515 -3.404 65 HD11 ILE 8 HD11 ILE 8 -5.199 5.167 -2.967 66 HD12 ILE 8 HD12 ILE 8 -4.233 4.537 -1.611 67 HD13 ILE 8 HD13 ILE 8 -4.418 6.294 -1.833 68 H ASN 9 H ASN 9 -0.663 5.382 0.187 69 HA ASN 9 HA ASN 9 2.168 5.797 0.280 70 HB2 ASN 9 HB2 ASN 9 0.258 7.019 1.465 71 HB3 ASN 9 HB3 ASN 9 0.351 5.744 2.680 72 HD21 ASN 9 HD21 ASN 9 0.667 7.994 3.902 73 HD22 ASN 9 HD22 ASN 9 2.339 8.445 4.153 74 H GLY 10 H GLY 10 0.149 3.268 1.863 75 HA2 GLY 10 HA2 GLY 10 2.065 1.959 3.431 76 HA3 GLY 10 HA3 GLY 10 0.695 1.154 2.650 77 H HIS 11 H HIS 11 1.285 1.084 0.014 78 HA HIS 11 HA HIS 11 3.387 -0.870 -0.252 79 HB2 HIS 11 HB2 HIS 11 1.591 0.619 -2.177 80 HB3 HIS 11 HB3 HIS 11 2.864 -0.455 -2.774 81 HD1 HIS 11 HD1 HIS 11 -0.488 -0.653 -0.716 82 HD2 HIS 11 HD2 HIS 11 2.412 -3.009 -2.807 83 HE1 HIS 11 HE1 HIS 11 -1.338 -3.065 -1.012 84 H ASN 12 H ASN 12 3.282 2.667 -1.028 85 HA ASN 12 HA ASN 12 5.725 2.822 -2.467 86 HB2 ASN 12 HB2 ASN 12 3.916 4.543 -2.316 87 HB3 ASN 12 HB3 ASN 12 4.508 4.974 -0.706 88 HD21 ASN 12 HD21 ASN 12 7.050 7.128 -1.931 89 HD22 ASN 12 HD22 ASN 12 6.200 6.479 -0.546 90 H SER 13 H SER 13 5.288 2.651 1.082 91 HA SER 13 HA SER 13 8.188 3.080 1.508 92 HB2 SER 13 HB3 SER 13 6.194 4.187 2.903 93 HB3 SER 13 HB2 SER 13 6.365 2.691 3.847 94 HG SER 13 HG SER 13 7.755 4.381 4.602 95 H SER 14 H SER 14 5.684 0.563 2.347 96 HA SER 14 HA SER 14 7.680 -1.151 3.485 97 HB2 SER 14 HB3 SER 14 5.342 -1.269 4.172 98 HB3 SER 14 HB2 SER 14 4.953 -2.056 2.627 99 HG SER 14 HG SER 14 5.371 -3.577 4.318 100 H SER 15 H SER 15 6.235 -1.264 0.185 101 HA SER 15 HA SER 15 7.890 -3.480 -0.653 102 HB2 SER 15 HB3 SER 15 5.734 -2.686 -1.727 103 HB3 SER 15 HB2 SER 15 6.656 -1.331 -2.415 104 HG SER 15 HG SER 15 6.523 -3.138 -3.856 105 H SER 16 H SER 16 8.778 -0.114 -0.089 106 HA SER 16 HA SER 16 11.062 -0.155 -1.963 107 HB2 SER 16 HB3 SER 16 9.707 1.912 -1.643 108 HB3 SER 16 HB2 SER 16 10.186 1.944 0.069 109 HG SER 16 HG SER 16 11.524 3.291 -1.256 110 H LEU 17 H LEU 17 12.918 -1.101 -1.436 111 HA LEU 17 HA LEU 17 13.548 -1.954 1.284 112 HB2 LEU 17 HB2 LEU 17 14.821 -2.183 -1.439 113 HB3 LEU 17 HB3 LEU 17 15.723 -2.665 -0.002 114 HG LEU 17 HG LEU 17 14.671 -4.511 -1.230 115 HD11 LEU 17 HD21 LEU 17 15.243 -4.707 1.171 116 HD12 LEU 17 HD22 LEU 17 13.544 -4.355 1.565 117 HD13 LEU 17 HD23 LEU 17 13.957 -5.812 0.629 118 HD21 LEU 17 HD11 LEU 17 12.540 -3.472 -1.944 119 HD22 LEU 17 HD12 LEU 17 12.362 -5.084 -1.209 120 HD23 LEU 17 HD13 LEU 17 11.948 -3.628 -0.272 Start of MODEL 24 1 H1 ASN 1 H1 ASN 1 -12.917 7.912 0.556 2 H2 ASN 1 H2 ASN 1 -12.105 8.547 -0.731 3 H3 ASN 1 H3 ASN 1 -13.017 7.186 -0.922 4 HA ASN 1 HA ASN 1 -11.604 5.894 0.403 5 HB2 ASN 1 HB3 ASN 1 -11.284 6.415 -2.070 6 HB3 ASN 1 HB2 ASN 1 -9.942 7.455 -1.578 7 HD21 ASN 1 HD21 ASN 1 -7.635 4.807 -1.676 8 HD22 ASN 1 HD22 ASN 1 -7.971 6.515 -1.850 9 H VAL 2 H VAL 2 -11.473 8.840 1.602 10 HA VAL 2 HA VAL 2 -8.758 9.029 2.602 11 HB VAL 2 HB VAL 2 -11.207 10.589 3.433 12 HG11 VAL 2 HG21 VAL 2 -9.419 10.657 5.172 13 HG12 VAL 2 HG22 VAL 2 -9.750 12.242 4.434 14 HG13 VAL 2 HG23 VAL 2 -8.302 11.323 3.956 15 HG21 VAL 2 HG11 VAL 2 -10.589 10.964 1.043 16 HG22 VAL 2 HG12 VAL 2 -10.424 12.420 2.053 17 HG23 VAL 2 HG13 VAL 2 -8.977 11.500 1.575 18 H HIS 3 H HIS 3 -11.872 8.341 4.299 19 HA HIS 3 HA HIS 3 -10.671 7.466 6.737 20 HB2 HIS 3 HB3 HIS 3 -13.089 8.280 6.161 21 HB3 HIS 3 HB2 HIS 3 -13.404 6.556 5.876 22 HD1 HIS 3 HD1 HIS 3 -12.032 8.841 8.775 23 HD2 HIS 3 HD2 HIS 3 -13.910 5.068 7.963 24 HE1 HIS 3 HE1 HIS 3 -12.657 7.654 10.973 25 H THR 4 H THR 4 -11.880 5.526 3.993 26 HA THR 4 HA THR 4 -11.196 2.978 5.202 27 HB THR 4 HB THR 4 -11.836 2.106 2.904 28 HG1 THR 4 HG1 THR 4 -12.697 4.771 2.458 29 HG21 THR 4 HG21 THR 4 -14.253 2.487 3.141 30 HG22 THR 4 HG22 THR 4 -13.932 3.765 4.338 31 HG23 THR 4 HG23 THR 4 -13.488 2.079 4.695 32 H PHE 5 H PHE 5 -10.068 4.275 2.044 33 HA PHE 5 HA PHE 5 -8.082 4.335 0.988 34 HB2 PHE 5 HB3 PHE 5 -7.310 5.384 3.185 35 HB3 PHE 5 HB2 PHE 5 -6.550 3.827 3.518 36 HD1 PHE 5 HD1 PHE 5 -6.495 6.804 1.333 37 HD2 PHE 5 HD2 PHE 5 -4.435 3.265 2.658 38 HE1 PHE 5 HE1 PHE 5 -4.353 7.749 0.510 39 HE2 PHE 5 HE2 PHE 5 -2.285 4.220 1.863 40 HZ PHE 5 HZ PHE 5 -2.249 6.494 0.815 41 H ARG 6 H ARG 6 -6.863 3.101 -0.242 42 HA ARG 6 HA ARG 6 -7.097 0.185 0.032 43 HB2 ARG 6 HB2 ARG 6 -7.279 1.925 -2.064 44 HB3 ARG 6 HB3 ARG 6 -5.618 1.357 -2.261 45 HG2 ARG 6 HG3 ARG 6 -8.054 -0.461 -2.107 46 HG3 ARG 6 HG2 ARG 6 -7.329 0.121 -3.613 47 HD2 ARG 6 HD3 ARG 6 -5.207 -1.046 -3.034 48 HD3 ARG 6 HD2 ARG 6 -5.968 -1.661 -1.554 49 HE ARG 6 HE ARG 6 -6.491 -2.557 -4.328 50 HH11 ARG 6 HH11 ARG 6 -7.482 -2.861 -0.884 51 HH12 ARG 6 HH12 ARG 6 -8.327 -4.361 -1.194 52 HH21 ARG 6 HH21 ARG 6 -8.380 -5.241 -3.252 53 HH22 ARG 6 HH22 ARG 6 -7.583 -4.454 -4.595 54 H GLY 7 H GLY 7 -4.313 2.183 -0.987 55 HA2 GLY 7 HA3 GLY 7 -2.533 1.881 1.107 56 HA3 GLY 7 HA2 GLY 7 -2.360 0.373 0.194 57 H ILE 8 H ILE 8 -2.690 3.846 -0.658 58 HA ILE 8 HA ILE 8 -0.797 3.700 -2.854 59 HB ILE 8 HB ILE 8 -2.125 6.043 -1.459 60 HG12 ILE 8 HG13 ILE 8 -3.400 5.918 -3.860 61 HG13 ILE 8 HG12 ILE 8 -3.107 4.199 -3.564 62 HG21 ILE 8 HG21 ILE 8 -0.101 6.731 -2.718 63 HG22 ILE 8 HG22 ILE 8 -0.821 6.055 -4.199 64 HG23 ILE 8 HG23 ILE 8 -1.603 7.425 -3.374 65 HD11 ILE 8 HD11 ILE 8 -5.332 4.866 -2.757 66 HD12 ILE 8 HD12 ILE 8 -4.298 4.346 -1.405 67 HD13 ILE 8 HD13 ILE 8 -4.593 6.078 -1.686 68 H ASN 9 H ASN 9 -0.742 5.436 0.279 69 HA ASN 9 HA ASN 9 2.031 6.101 0.275 70 HB2 ASN 9 HB2 ASN 9 0.053 7.119 1.539 71 HB3 ASN 9 HB3 ASN 9 0.334 5.868 2.749 72 HD21 ASN 9 HD21 ASN 9 2.088 8.767 4.136 73 HD22 ASN 9 HD22 ASN 9 0.465 8.139 3.961 74 H GLY 10 H GLY 10 0.357 3.358 1.939 75 HA2 GLY 10 HA2 GLY 10 2.600 2.303 3.336 76 HA3 GLY 10 HA3 GLY 10 1.210 1.352 2.773 77 H HIS 11 H HIS 11 1.388 1.106 0.075 78 HA HIS 11 HA HIS 11 3.580 -0.585 -0.470 79 HB2 HIS 11 HB2 HIS 11 1.638 0.918 -2.213 80 HB3 HIS 11 HB3 HIS 11 2.949 -0.019 -2.947 81 HD1 HIS 11 HD1 HIS 11 -0.225 -0.626 -0.672 82 HD2 HIS 11 HD2 HIS 11 2.676 -2.582 -3.140 83 HE1 HIS 11 HE1 HIS 11 -0.852 -3.100 -1.002 84 H ASN 12 H ASN 12 3.461 3.031 -0.888 85 HA ASN 12 HA ASN 12 5.976 3.011 -2.330 86 HB2 ASN 12 HB3 ASN 12 4.352 4.881 -2.493 87 HB3 ASN 12 HB2 ASN 12 4.816 5.376 -0.857 88 HD21 ASN 12 HD21 ASN 12 7.274 6.234 -4.061 89 HD22 ASN 12 HD22 ASN 12 5.906 5.159 -4.246 90 H SER 13 H SER 13 5.140 3.125 1.115 91 HA SER 13 HA SER 13 7.720 3.421 2.305 92 HB2 SER 13 HB3 SER 13 5.287 3.513 3.306 93 HB3 SER 13 HB2 SER 13 5.540 1.776 3.592 94 HG SER 13 HG SER 13 6.229 3.081 5.378 95 H SER 14 H SER 14 6.290 0.984 0.675 96 HA SER 14 HA SER 14 6.869 -0.820 -0.521 97 HB2 SER 14 HB3 SER 14 9.166 -0.266 -0.114 98 HB3 SER 14 HB2 SER 14 9.094 -1.116 1.435 99 HG SER 14 HG SER 14 10.034 -2.388 -0.229 100 H SER 15 H SER 15 4.964 -0.410 1.052 101 HA SER 15 HA SER 15 3.301 -1.110 2.265 102 HB2 SER 15 HB2 SER 15 3.035 -2.355 0.423 103 HB3 SER 15 HB3 SER 15 4.354 -3.470 0.824 104 HG SER 15 HG SER 15 2.274 -4.413 1.116 105 H SER 16 H SER 16 5.523 -0.163 3.464 106 HA SER 16 HA SER 16 6.076 -1.754 5.904 107 HB2 SER 16 HB3 SER 16 7.297 0.685 4.574 108 HB3 SER 16 HB2 SER 16 7.675 0.293 6.266 109 HG SER 16 HG SER 16 9.163 -0.670 4.778 110 H LEU 17 H LEU 17 4.668 -1.591 7.524 111 HA LEU 17 HA LEU 17 2.853 0.670 7.861 112 HB2 LEU 17 HB2 LEU 17 3.389 -1.939 9.275 113 HB3 LEU 17 HB3 LEU 17 2.309 -0.745 9.999 114 HG LEU 17 HG LEU 17 1.180 -2.561 8.802 115 HD11 LEU 17 HD11 LEU 17 0.098 -0.363 9.163 116 HD12 LEU 17 HD12 LEU 17 0.540 0.084 7.497 117 HD13 LEU 17 HD13 LEU 17 -0.555 -1.290 7.790 118 HD21 LEU 17 HD21 LEU 17 2.706 -2.926 6.888 119 HD22 LEU 17 HD22 LEU 17 0.985 -2.804 6.447 120 HD23 LEU 17 HD23 LEU 17 2.079 -1.430 6.153 Start of MODEL 25 1 H1 ASN 1 H1 ASN 1 -8.733 0.759 6.636 2 H2 ASN 1 H2 ASN 1 -9.998 1.375 7.496 3 H3 ASN 1 H3 ASN 1 -9.932 1.585 5.861 4 HA ASN 1 HA ASN 1 -10.281 -0.951 7.293 5 HB2 ASN 1 HB2 ASN 1 -12.182 0.774 7.161 6 HB3 ASN 1 HB3 ASN 1 -12.245 0.420 5.429 7 HD21 ASN 1 HD21 ASN 1 -14.391 -2.342 5.891 8 HD22 ASN 1 HD22 ASN 1 -13.758 -1.096 4.840 9 H VAL 2 H VAL 2 -10.720 -2.802 5.972 10 HA VAL 2 HA VAL 2 -8.865 -3.107 3.800 11 HB VAL 2 HB VAL 2 -10.910 -5.074 4.817 12 HG11 VAL 2 HG21 VAL 2 -10.086 -5.689 2.542 13 HG12 VAL 2 HG22 VAL 2 -8.427 -5.716 3.185 14 HG13 VAL 2 HG23 VAL 2 -9.640 -6.863 3.803 15 HG21 VAL 2 HG11 VAL 2 -9.251 -4.408 6.563 16 HG22 VAL 2 HG12 VAL 2 -9.160 -6.128 6.112 17 HG23 VAL 2 HG13 VAL 2 -7.947 -4.981 5.494 18 H HIS 3 H HIS 3 -12.475 -3.147 3.729 19 HA HIS 3 HA HIS 3 -12.738 -3.617 0.942 20 HB2 HIS 3 HB3 HIS 3 -14.428 -3.763 2.937 21 HB3 HIS 3 HB2 HIS 3 -14.819 -2.093 2.477 22 HD1 HIS 3 HD1 HIS 3 -17.289 -2.797 1.482 23 HD2 HIS 3 HD2 HIS 3 -13.818 -4.662 -0.223 24 HE1 HIS 3 HE1 HIS 3 -17.905 -4.030 -0.692 25 H THR 4 H THR 4 -12.748 -0.475 2.641 26 HA THR 4 HA THR 4 -13.115 1.046 0.184 27 HB THR 4 HB THR 4 -12.810 3.017 1.756 28 HG1 THR 4 HG1 THR 4 -11.689 1.847 3.412 29 HG21 THR 4 HG21 THR 4 -15.000 2.813 2.852 30 HG22 THR 4 HG22 THR 4 -15.042 1.082 2.442 31 HG23 THR 4 HG23 THR 4 -15.059 2.304 1.148 32 H PHE 5 H PHE 5 -10.502 1.256 2.657 33 HA PHE 5 HA PHE 5 -8.621 2.400 0.735 34 HB2 PHE 5 HB3 PHE 5 -8.241 1.527 3.625 35 HB3 PHE 5 HB2 PHE 5 -7.011 2.325 2.644 36 HD1 PHE 5 HD1 PHE 5 -6.921 4.720 2.516 37 HD2 PHE 5 HD2 PHE 5 -10.381 2.793 4.224 38 HE1 PHE 5 HE1 PHE 5 -7.735 6.899 3.365 39 HE2 PHE 5 HE2 PHE 5 -11.209 4.989 5.029 40 HZ PHE 5 HZ PHE 5 -9.872 7.037 4.612 41 H ARG 6 H ARG 6 -7.176 1.398 -0.492 42 HA ARG 6 HA ARG 6 -6.915 -1.531 -0.425 43 HB2 ARG 6 HB3 ARG 6 -7.068 0.367 -2.419 44 HB3 ARG 6 HB2 ARG 6 -5.333 0.038 -2.370 45 HG2 ARG 6 HG2 ARG 6 -6.135 -1.401 -4.025 46 HG3 ARG 6 HG3 ARG 6 -5.936 -2.446 -2.612 47 HD2 ARG 6 HD2 ARG 6 -8.373 -2.354 -2.190 48 HD3 ARG 6 HD3 ARG 6 -8.582 -1.270 -3.578 49 HE ARG 6 HE ARG 6 -8.261 -3.093 -5.055 50 HH11 ARG 6 HH11 ARG 6 -7.787 -4.250 -1.682 51 HH12 ARG 6 HH12 ARG 6 -7.873 -5.925 -2.178 52 HH21 ARG 6 HH21 ARG 6 -8.357 -5.239 -5.556 53 HH22 ARG 6 HH22 ARG 6 -8.190 -6.470 -4.324 54 H GLY 7 H GLY 7 -4.395 0.901 -1.048 55 HA2 GLY 7 HA3 GLY 7 -2.814 0.851 1.209 56 HA3 GLY 7 HA2 GLY 7 -2.345 -0.636 0.364 57 H ILE 8 H ILE 8 -2.995 2.797 -0.447 58 HA ILE 8 HA ILE 8 -1.064 2.930 -2.599 59 HB ILE 8 HB ILE 8 -2.544 5.096 -1.082 60 HG12 ILE 8 HG13 ILE 8 -3.827 5.033 -3.473 61 HG13 ILE 8 HG12 ILE 8 -3.414 3.323 -3.302 62 HG21 ILE 8 HG21 ILE 8 -0.570 5.969 -2.306 63 HG22 ILE 8 HG22 ILE 8 -2.114 6.605 -2.921 64 HG23 ILE 8 HG23 ILE 8 -1.255 5.332 -3.820 65 HD11 ILE 8 HD11 ILE 8 -5.676 3.775 -2.450 66 HD12 ILE 8 HD12 ILE 8 -5.018 4.956 -1.294 67 HD13 ILE 8 HD13 ILE 8 -4.604 3.232 -1.139 68 H ASN 9 H ASN 9 -1.146 4.501 0.615 69 HA ASN 9 HA ASN 9 1.578 5.343 0.682 70 HB2 ASN 9 HB2 ASN 9 -0.471 6.157 1.975 71 HB3 ASN 9 HB3 ASN 9 -0.128 4.857 3.115 72 HD21 ASN 9 HD21 ASN 9 -0.155 7.054 4.460 73 HD22 ASN 9 HD22 ASN 9 1.422 7.771 4.699 74 H GLY 10 H GLY 10 0.073 2.434 2.184 75 HA2 GLY 10 HA2 GLY 10 2.250 1.396 3.610 76 HA3 GLY 10 HA3 GLY 10 0.994 0.410 2.846 77 H HIS 11 H HIS 11 1.458 0.568 0.185 78 HA HIS 11 HA HIS 11 3.829 -1.005 -0.276 79 HB2 HIS 11 HB3 HIS 11 1.729 0.276 -2.048 80 HB3 HIS 11 HB2 HIS 11 3.128 -0.557 -2.741 81 HD1 HIS 11 HD1 HIS 11 -0.044 -1.405 -0.564 82 HD2 HIS 11 HD2 HIS 11 3.084 -3.131 -2.925 83 HE1 HIS 11 HE1 HIS 11 -0.507 -3.904 -0.977 84 H ASN 12 H ASN 12 3.123 2.504 -0.837 85 HA ASN 12 HA ASN 12 5.427 3.132 -2.366 86 HB2 ASN 12 HB3 ASN 12 3.388 4.537 -2.063 87 HB3 ASN 12 HB2 ASN 12 3.947 4.940 -0.435 88 HD21 ASN 12 HD21 ASN 12 4.624 5.395 -3.924 89 HD22 ASN 12 HD22 ASN 12 5.624 6.815 -3.717 90 H SER 13 H SER 13 5.200 2.775 1.191 91 HA SER 13 HA SER 13 8.022 3.600 1.490 92 HB2 SER 13 HB3 SER 13 5.706 3.442 3.404 93 HB3 SER 13 HB2 SER 13 7.371 3.373 4.026 94 HG SER 13 HG SER 13 6.565 5.539 3.884 95 H SER 14 H SER 14 5.965 0.682 2.313 96 HA SER 14 HA SER 14 8.258 -0.718 3.327 97 HB2 SER 14 HB3 SER 14 5.998 -1.241 4.084 98 HB3 SER 14 HB2 SER 14 5.676 -2.013 2.517 99 HG SER 14 HG SER 14 6.394 -3.519 4.118 100 H SER 15 H SER 15 6.711 -0.952 0.075 101 HA SER 15 HA SER 15 8.663 -2.839 -0.911 102 HB2 SER 15 HB3 SER 15 6.368 -2.361 -1.873 103 HB3 SER 15 HB2 SER 15 7.035 -0.853 -2.537 104 HG SER 15 HG SER 15 7.125 -2.604 -4.046 105 H SER 16 H SER 16 9.040 0.596 -0.239 106 HA SER 16 HA SER 16 11.224 0.987 -2.189 107 HB2 SER 16 HB3 SER 16 9.567 2.795 -1.742 108 HB3 SER 16 HB2 SER 16 10.104 2.848 -0.047 109 HG SER 16 HG SER 16 11.155 4.434 -1.362 110 H LEU 17 H LEU 17 13.220 0.323 -1.761 111 HA LEU 17 HA LEU 17 14.084 -0.503 0.903 112 HB2 LEU 17 HB2 LEU 17 15.275 -0.444 -1.866 113 HB3 LEU 17 HB3 LEU 17 16.291 -0.827 -0.474 114 HG LEU 17 HG LEU 17 15.487 -2.772 -1.742 115 HD11 LEU 17 HD11 LEU 17 16.181 -2.945 0.627 116 HD12 LEU 17 HD12 LEU 17 14.464 -2.884 1.094 117 HD13 LEU 17 HD13 LEU 17 15.067 -4.225 0.090 118 HD21 LEU 17 HD21 LEU 17 13.193 -2.064 -2.346 119 HD22 LEU 17 HD22 LEU 17 13.303 -3.705 -1.666 120 HD23 LEU 17 HD23 LEU 17 12.700 -2.364 -0.662 Start of MODEL 26 1 H1 ASN 1 H1 ASN 1 -7.842 -4.211 4.769 2 H2 ASN 1 H2 ASN 1 -9.098 -4.773 5.678 3 H3 ASN 1 H3 ASN 1 -9.295 -3.431 4.741 4 HA ASN 1 HA ASN 1 -8.831 -6.169 3.807 5 HB2 ASN 1 HB3 ASN 1 -11.107 -5.487 4.797 6 HB3 ASN 1 HB2 ASN 1 -11.284 -4.441 3.384 7 HD21 ASN 1 HD21 ASN 1 -11.780 -8.528 2.991 8 HD22 ASN 1 HD22 ASN 1 -10.991 -7.872 4.408 9 H VAL 2 H VAL 2 -8.944 -6.501 1.530 10 HA VAL 2 HA VAL 2 -7.382 -4.629 0.017 11 HB VAL 2 HB VAL 2 -8.730 -7.153 -0.933 12 HG11 VAL 2 HG11 VAL 2 -8.088 -5.674 -2.840 13 HG12 VAL 2 HG12 VAL 2 -6.403 -5.724 -2.268 14 HG13 VAL 2 HG13 VAL 2 -7.205 -7.218 -2.808 15 HG21 VAL 2 HG21 VAL 2 -7.070 -7.565 0.887 16 HG22 VAL 2 HG22 VAL 2 -6.621 -8.304 -0.669 17 HG23 VAL 2 HG23 VAL 2 -5.818 -6.809 -0.129 18 H HIS 3 H HIS 3 -10.854 -5.529 -0.366 19 HA HIS 3 HA HIS 3 -11.376 -3.893 -2.626 20 HB2 HIS 3 HB3 HIS 3 -12.700 -5.858 -1.520 21 HB3 HIS 3 HB2 HIS 3 -13.522 -4.558 -0.632 22 HD1 HIS 3 HD1 HIS 3 -12.823 -5.564 -4.374 23 HD2 HIS 3 HD2 HIS 3 -15.460 -3.302 -1.855 24 HE1 HIS 3 HE1 HIS 3 -14.789 -4.623 -5.745 25 H THR 4 H THR 4 -11.892 -3.099 0.818 26 HA THR 4 HA THR 4 -12.915 -0.437 0.228 27 HB THR 4 HB THR 4 -12.875 -0.228 2.760 28 HG1 THR 4 HG1 THR 4 -12.627 -2.131 3.940 29 HG21 THR 4 HG21 THR 4 -14.800 -1.702 3.166 30 HG22 THR 4 HG22 THR 4 -14.492 -2.528 1.621 31 HG23 THR 4 HG23 THR 4 -14.957 -0.810 1.634 32 H PHE 5 H PHE 5 -10.128 -1.432 2.287 33 HA PHE 5 HA PHE 5 -8.820 1.163 1.969 34 HB2 PHE 5 HB3 PHE 5 -7.888 -1.394 3.332 35 HB3 PHE 5 HB2 PHE 5 -7.010 0.136 3.352 36 HD1 PHE 5 HD1 PHE 5 -10.236 -1.477 4.371 37 HD2 PHE 5 HD2 PHE 5 -7.402 1.676 5.131 38 HE1 PHE 5 HE1 PHE 5 -11.405 -0.942 6.509 39 HE2 PHE 5 HE2 PHE 5 -8.554 2.187 7.264 40 HZ PHE 5 HZ PHE 5 -10.546 0.885 7.953 41 H ARG 6 H ARG 6 -7.370 1.757 0.508 42 HA ARG 6 HA ARG 6 -6.412 -0.143 -1.526 43 HB2 ARG 6 HB3 ARG 6 -7.311 2.465 -1.571 44 HB3 ARG 6 HB2 ARG 6 -5.561 2.682 -1.659 45 HG2 ARG 6 HG2 ARG 6 -6.256 2.674 -3.892 46 HG3 ARG 6 HG3 ARG 6 -5.590 1.054 -3.638 47 HD2 ARG 6 HD2 ARG 6 -7.888 0.145 -3.415 48 HD3 ARG 6 HD3 ARG 6 -8.558 1.773 -3.655 49 HE ARG 6 HE ARG 6 -6.847 1.190 -5.856 50 HH11 ARG 6 HH11 ARG 6 -7.640 0.558 -7.823 51 HH12 ARG 6 HH12 ARG 6 -9.238 -0.136 -7.978 52 HH21 ARG 6 HH21 ARG 6 -10.015 0.045 -4.595 53 HH22 ARG 6 HH22 ARG 6 -10.554 -0.422 -6.192 54 H GLY 7 H GLY 7 -4.738 2.564 0.090 55 HA2 GLY 7 HA3 GLY 7 -2.799 2.413 1.508 56 HA3 GLY 7 HA2 GLY 7 -2.465 0.795 0.860 57 H ILE 8 H ILE 8 -2.804 4.164 -0.358 58 HA ILE 8 HA ILE 8 -0.979 3.843 -2.563 59 HB ILE 8 HB ILE 8 -2.054 6.328 -1.204 60 HG12 ILE 8 HG13 ILE 8 -3.472 6.228 -3.513 61 HG13 ILE 8 HG12 ILE 8 -3.289 4.499 -3.191 62 HG21 ILE 8 HG21 ILE 8 -0.054 6.794 -2.596 63 HG22 ILE 8 HG22 ILE 8 -0.908 6.123 -4.006 64 HG23 ILE 8 HG23 ILE 8 -1.530 7.584 -3.201 65 HD11 ILE 8 HD11 ILE 8 -5.302 6.101 -2.190 66 HD12 ILE 8 HD12 ILE 8 -4.812 4.524 -1.525 67 HD13 ILE 8 HD13 ILE 8 -4.162 6.025 -0.823 68 H ASN 9 H ASN 9 -0.636 5.726 0.462 69 HA ASN 9 HA ASN 9 2.154 6.204 0.304 70 HB2 ASN 9 HB2 ASN 9 0.318 7.339 1.669 71 HB3 ASN 9 HB3 ASN 9 0.602 6.087 2.879 72 HD21 ASN 9 HD21 ASN 9 0.925 8.357 4.053 73 HD22 ASN 9 HD22 ASN 9 2.586 8.900 4.123 74 H GLY 10 H GLY 10 0.459 3.586 2.134 75 HA2 GLY 10 HA2 GLY 10 2.756 2.415 3.354 76 HA3 GLY 10 HA3 GLY 10 1.258 1.550 2.955 77 H HIS 11 H HIS 11 1.183 1.357 0.203 78 HA HIS 11 HA HIS 11 3.113 -0.566 -0.533 79 HB2 HIS 11 HB3 HIS 11 1.401 1.312 -2.197 80 HB3 HIS 11 HB2 HIS 11 2.392 0.044 -2.902 81 HD1 HIS 11 HD1 HIS 11 -0.310 -0.421 -3.913 82 HD2 HIS 11 HD2 HIS 11 0.794 -1.404 0.100 83 HE1 HIS 11 HE1 HIS 11 -2.100 -1.932 -2.838 84 H ASN 12 H ASN 12 3.361 3.063 -0.894 85 HA ASN 12 HA ASN 12 5.776 2.819 -2.483 86 HB2 ASN 12 HB3 ASN 12 4.606 5.202 -1.060 87 HB3 ASN 12 HB2 ASN 12 6.207 5.252 -1.814 88 HD21 ASN 12 HD21 ASN 12 2.973 5.898 -4.138 89 HD22 ASN 12 HD22 ASN 12 2.933 5.928 -2.390 90 H SER 13 H SER 13 5.128 2.958 1.007 91 HA SER 13 HA SER 13 7.844 2.949 1.989 92 HB2 SER 13 HB3 SER 13 5.487 3.380 3.169 93 HB3 SER 13 HB2 SER 13 5.639 1.652 3.559 94 HG SER 13 HG SER 13 6.601 3.013 5.163 95 H SER 14 H SER 14 6.206 0.810 0.289 96 HA SER 14 HA SER 14 6.412 -1.108 -0.780 97 HB2 SER 14 HB3 SER 14 8.749 -0.708 -0.570 98 HB3 SER 14 HB2 SER 14 8.759 -1.525 1.001 99 HG SER 14 HG SER 14 9.476 -2.881 -0.706 100 H SER 15 H SER 15 4.674 -0.551 0.901 101 HA SER 15 HA SER 15 3.025 -1.116 2.195 102 HB2 SER 15 HB2 SER 15 2.556 -2.327 0.369 103 HB3 SER 15 HB3 SER 15 3.795 -3.551 0.699 104 HG SER 15 HG SER 15 1.662 -4.315 1.111 105 H SER 16 H SER 16 5.415 -0.395 3.312 106 HA SER 16 HA SER 16 5.917 -2.134 5.647 107 HB2 SER 16 HB3 SER 16 7.803 -1.035 4.407 108 HB3 SER 16 HB2 SER 16 7.196 0.541 4.962 109 HG SER 16 HG SER 16 8.841 -0.316 6.348 110 H LEU 17 H LEU 17 4.741 -2.008 7.436 111 HA LEU 17 HA LEU 17 2.901 0.198 7.964 112 HB2 LEU 17 HB2 LEU 17 3.628 -2.415 9.278 113 HB3 LEU 17 HB3 LEU 17 2.598 -1.260 10.127 114 HG LEU 17 HG LEU 17 1.407 -3.089 8.996 115 HD11 LEU 17 HD11 LEU 17 0.309 -0.940 9.540 116 HD12 LEU 17 HD12 LEU 17 0.564 -0.427 7.856 117 HD13 LEU 17 HD13 LEU 17 -0.457 -1.842 8.211 118 HD21 LEU 17 HD21 LEU 17 2.737 -3.347 6.926 119 HD22 LEU 17 HD22 LEU 17 1.998 -1.849 6.311 120 HD23 LEU 17 HD23 LEU 17 0.979 -3.264 6.665 Start of MODEL 27 1 H1 ASN 1 H1 ASN 1 -15.133 0.610 3.166 2 H2 ASN 1 H2 ASN 1 -15.341 1.125 1.614 3 H3 ASN 1 H3 ASN 1 -15.051 2.219 2.813 4 HA ASN 1 HA ASN 1 -13.216 0.192 1.764 5 HB2 ASN 1 HB3 ASN 1 -13.851 2.291 0.460 6 HB3 ASN 1 HB2 ASN 1 -12.952 3.198 1.682 7 HD21 ASN 1 HD21 ASN 1 -10.994 3.836 0.895 8 HD22 ASN 1 HD22 ASN 1 -9.950 2.867 -0.120 9 H VAL 2 H VAL 2 -13.957 1.047 4.702 10 HA VAL 2 HA VAL 2 -11.431 1.875 5.858 11 HB VAL 2 HB VAL 2 -13.919 0.866 7.239 12 HG11 VAL 2 HG11 VAL 2 -11.900 0.658 8.684 13 HG12 VAL 2 HG12 VAL 2 -11.627 2.407 8.502 14 HG13 VAL 2 HG13 VAL 2 -13.101 1.815 9.306 15 HG21 VAL 2 HG21 VAL 2 -14.307 2.992 5.990 16 HG22 VAL 2 HG22 VAL 2 -14.490 3.161 7.753 17 HG23 VAL 2 HG23 VAL 2 -13.016 3.755 6.949 18 H HIS 3 H HIS 3 -13.237 -1.245 6.059 19 HA HIS 3 HA HIS 3 -11.067 -2.726 7.206 20 HB2 HIS 3 HB3 HIS 3 -13.651 -3.147 7.173 21 HB3 HIS 3 HB2 HIS 3 -13.298 -4.043 5.681 22 HD1 HIS 3 HD1 HIS 3 -12.154 -4.052 9.449 23 HD2 HIS 3 HD2 HIS 3 -12.416 -6.493 5.927 24 HE1 HIS 3 HE1 HIS 3 -11.471 -6.478 9.980 25 H THR 4 H THR 4 -12.209 -2.579 3.820 26 HA THR 4 HA THR 4 -10.245 -4.411 2.780 27 HB THR 4 HB THR 4 -11.065 -3.496 0.552 28 HG1 THR 4 HG1 THR 4 -13.000 -2.180 2.155 29 HG21 THR 4 HG21 THR 4 -13.274 -4.571 0.635 30 HG22 THR 4 HG22 THR 4 -12.024 -5.556 1.432 31 HG23 THR 4 HG23 THR 4 -13.180 -4.622 2.412 32 H PHE 5 H PHE 5 -10.599 -0.927 1.979 33 HA PHE 5 HA PHE 5 -9.189 0.723 1.501 34 HB2 PHE 5 HB3 PHE 5 -7.438 1.300 2.902 35 HB3 PHE 5 HB2 PHE 5 -8.656 0.470 3.859 36 HD1 PHE 5 HD1 PHE 5 -5.283 0.073 2.257 37 HD2 PHE 5 HD2 PHE 5 -8.017 -1.383 5.253 38 HE1 PHE 5 HE1 PHE 5 -3.468 -1.298 3.243 39 HE2 PHE 5 HE2 PHE 5 -6.207 -2.760 6.226 40 HZ PHE 5 HZ PHE 5 -3.931 -2.716 5.234 41 H ARG 6 H ARG 6 -7.533 1.610 0.279 42 HA ARG 6 HA ARG 6 -6.477 -0.192 -1.771 43 HB2 ARG 6 HB2 ARG 6 -7.500 2.237 -1.955 44 HB3 ARG 6 HB3 ARG 6 -5.832 2.741 -1.674 45 HG2 ARG 6 HG3 ARG 6 -6.743 0.936 -3.951 46 HG3 ARG 6 HG2 ARG 6 -6.494 2.685 -4.079 47 HD2 ARG 6 HD3 ARG 6 -4.074 2.276 -3.351 48 HD3 ARG 6 HD2 ARG 6 -4.395 0.545 -3.577 49 HE ARG 6 HE ARG 6 -5.184 1.682 -5.980 50 HH11 ARG 6 HH11 ARG 6 -3.896 1.908 -7.764 51 HH12 ARG 6 HH12 ARG 6 -2.155 2.010 -7.621 52 HH21 ARG 6 HH21 ARG 6 -1.148 1.917 -5.623 53 HH22 ARG 6 HH22 ARG 6 -2.083 1.739 -4.155 54 H GLY 7 H GLY 7 -4.831 2.441 -0.029 55 HA2 GLY 7 HA3 GLY 7 -2.903 2.272 1.373 56 HA3 GLY 7 HA2 GLY 7 -2.577 0.658 0.719 57 H ILE 8 H ILE 8 -2.860 4.025 -0.514 58 HA ILE 8 HA ILE 8 -0.909 3.696 -2.624 59 HB ILE 8 HB ILE 8 -2.114 6.183 -1.377 60 HG12 ILE 8 HG13 ILE 8 -3.365 6.024 -3.781 61 HG13 ILE 8 HG12 ILE 8 -3.186 4.305 -3.407 62 HG21 ILE 8 HG21 ILE 8 -0.036 6.669 -2.643 63 HG22 ILE 8 HG22 ILE 8 -0.785 5.966 -4.096 64 HG23 ILE 8 HG23 ILE 8 -1.483 7.424 -3.352 65 HD11 ILE 8 HD11 ILE 8 -5.374 5.145 -2.667 66 HD12 ILE 8 HD12 ILE 8 -4.393 4.621 -1.277 67 HD13 ILE 8 HD13 ILE 8 -4.574 6.355 -1.636 68 H ASN 9 H ASN 9 -0.819 5.611 0.402 69 HA ASN 9 HA ASN 9 1.968 6.172 0.425 70 HB2 ASN 9 HB2 ASN 9 0.019 7.294 1.630 71 HB3 ASN 9 HB3 ASN 9 0.224 6.065 2.877 72 HD21 ASN 9 HD21 ASN 9 2.065 8.926 4.230 73 HD22 ASN 9 HD22 ASN 9 0.422 8.358 4.036 74 H GLY 10 H GLY 10 0.193 3.573 2.177 75 HA2 GLY 10 HA2 GLY 10 2.314 2.450 3.653 76 HA3 GLY 10 HA3 GLY 10 0.919 1.545 3.045 77 H HIS 11 H HIS 11 1.305 1.468 0.316 78 HA HIS 11 HA HIS 11 3.416 -0.453 -0.063 79 HB2 HIS 11 HB3 HIS 11 1.417 0.960 -1.820 80 HB3 HIS 11 HB2 HIS 11 2.757 0.085 -2.580 81 HD1 HIS 11 HD1 HIS 11 2.425 -2.612 -2.791 82 HD2 HIS 11 HD2 HIS 11 -0.169 -0.470 -0.152 83 HE1 HIS 11 HE1 HIS 11 0.572 -4.170 -1.898 84 H ASN 12 H ASN 12 3.235 3.079 -0.816 85 HA ASN 12 HA ASN 12 5.548 3.312 -2.415 86 HB2 ASN 12 HB3 ASN 12 3.715 4.994 -2.022 87 HB3 ASN 12 HB2 ASN 12 4.495 5.394 -0.486 88 HD21 ASN 12 HD21 ASN 12 6.155 6.925 -0.476 89 HD22 ASN 12 HD22 ASN 12 6.840 7.620 -1.927 90 H SER 13 H SER 13 5.490 2.925 1.134 91 HA SER 13 HA SER 13 8.447 3.218 1.150 92 HB2 SER 13 HB3 SER 13 6.395 4.273 2.994 93 HB3 SER 13 HB2 SER 13 7.807 3.537 3.785 94 HG SER 13 HG SER 13 8.133 5.775 3.287 95 H SER 14 H SER 14 5.784 1.069 2.406 96 HA SER 14 HA SER 14 7.673 -0.646 3.737 97 HB2 SER 14 HB3 SER 14 5.347 -0.474 4.460 98 HB3 SER 14 HB2 SER 14 4.849 -1.369 3.009 99 HG SER 14 HG SER 14 5.143 -2.747 4.844 100 H SER 15 H SER 15 6.155 -0.968 0.487 101 HA SER 15 HA SER 15 7.516 -3.444 -0.122 102 HB2 SER 15 HB3 SER 15 6.391 -1.339 -2.011 103 HB3 SER 15 HB2 SER 15 6.837 -3.001 -2.446 104 HG SER 15 HG SER 15 4.576 -2.767 -2.043 105 H SER 16 H SER 16 8.907 -0.273 0.179 106 HA SER 16 HA SER 16 10.893 -0.505 -1.955 107 HB2 SER 16 HB3 SER 16 10.689 1.422 0.398 108 HB3 SER 16 HB2 SER 16 11.847 1.556 -0.942 109 HG SER 16 HG SER 16 9.961 2.853 -1.267 110 H LEU 17 H LEU 17 12.758 -1.581 -1.894 111 HA LEU 17 HA LEU 17 13.611 -3.028 0.463 112 HB2 LEU 17 HB2 LEU 17 14.543 -2.765 -2.371 113 HB3 LEU 17 HB3 LEU 17 15.578 -3.573 -1.191 114 HG LEU 17 HG LEU 17 14.198 -5.057 -2.607 115 HD11 LEU 17 HD21 LEU 17 15.136 -5.786 -0.435 116 HD12 LEU 17 HD22 LEU 17 13.692 -6.689 -0.950 117 HD13 LEU 17 HD23 LEU 17 13.560 -5.447 0.318 118 HD21 LEU 17 HD11 LEU 17 12.071 -3.792 -2.706 119 HD22 LEU 17 HD12 LEU 17 11.883 -5.513 -2.291 120 HD23 LEU 17 HD13 LEU 17 11.752 -4.271 -1.022 Start of MODEL 28 1 H1 ASN 1 H1 ASN 1 -9.145 6.787 -2.700 2 H2 ASN 1 H2 ASN 1 -10.398 5.902 -3.304 3 H3 ASN 1 H3 ASN 1 -9.526 5.330 -2.027 4 HA ASN 1 HA ASN 1 -11.270 7.688 -2.046 5 HB2 ASN 1 HB3 ASN 1 -12.254 5.313 -2.098 6 HB3 ASN 1 HB2 ASN 1 -11.591 5.118 -0.471 7 HD21 ASN 1 HD21 ASN 1 -14.004 6.924 -2.409 8 HD22 ASN 1 HD22 ASN 1 -15.010 7.369 -1.049 9 H VAL 2 H VAL 2 -11.611 8.707 0.013 10 HA VAL 2 HA VAL 2 -9.131 8.979 1.540 11 HB VAL 2 HB VAL 2 -11.655 10.619 1.721 12 HG11 VAL 2 HG21 VAL 2 -10.320 10.739 3.826 13 HG12 VAL 2 HG22 VAL 2 -8.934 11.326 2.878 14 HG13 VAL 2 HG23 VAL 2 -10.426 12.293 2.963 15 HG21 VAL 2 HG11 VAL 2 -10.483 10.873 -0.469 16 HG22 VAL 2 HG12 VAL 2 -9.027 11.403 0.407 17 HG23 VAL 2 HG13 VAL 2 -10.520 12.369 0.493 18 H HIS 3 H HIS 3 -12.557 8.381 2.565 19 HA HIS 3 HA HIS 3 -11.914 7.783 5.266 20 HB2 HIS 3 HB3 HIS 3 -14.160 8.423 4.116 21 HB3 HIS 3 HB2 HIS 3 -14.369 6.668 3.938 22 HD1 HIS 3 HD1 HIS 3 -13.715 9.265 6.826 23 HD2 HIS 3 HD2 HIS 3 -15.265 5.346 6.010 24 HE1 HIS 3 HE1 HIS 3 -14.768 8.252 8.947 25 H THR 4 H THR 4 -12.473 5.481 2.592 26 HA THR 4 HA THR 4 -11.794 3.179 4.258 27 HB THR 4 HB THR 4 -12.102 1.937 2.043 28 HG1 THR 4 HG1 THR 4 -11.923 3.805 0.686 29 HG21 THR 4 HG21 THR 4 -14.557 2.020 2.102 30 HG22 THR 4 HG22 THR 4 -13.854 1.901 3.733 31 HG23 THR 4 HG23 THR 4 -14.481 3.460 3.145 32 H PHE 5 H PHE 5 -10.453 4.222 1.074 33 HA PHE 5 HA PHE 5 -8.360 4.334 0.227 34 HB2 PHE 5 HB2 PHE 5 -7.795 5.546 2.349 35 HB3 PHE 5 HB3 PHE 5 -7.144 4.032 2.972 36 HD1 PHE 5 HD1 PHE 5 -6.573 6.905 0.809 37 HD2 PHE 5 HD2 PHE 5 -5.009 3.161 2.255 38 HE1 PHE 5 HE1 PHE 5 -4.281 7.665 0.275 39 HE2 PHE 5 HE2 PHE 5 -2.706 3.945 1.763 40 HZ PHE 5 HZ PHE 5 -2.351 6.222 0.793 41 H ARG 6 H ARG 6 -6.998 3.058 -0.799 42 HA ARG 6 HA ARG 6 -7.261 0.152 -0.432 43 HB2 ARG 6 HB3 ARG 6 -7.183 1.856 -2.600 44 HB3 ARG 6 HB2 ARG 6 -5.534 1.223 -2.581 45 HG2 ARG 6 HG2 ARG 6 -6.668 -0.191 -4.050 46 HG3 ARG 6 HG3 ARG 6 -6.582 -1.118 -2.545 47 HD2 ARG 6 HD2 ARG 6 -8.943 -0.530 -2.050 48 HD3 ARG 6 HD3 ARG 6 -9.024 0.414 -3.554 49 HE ARG 6 HE ARG 6 -8.164 -2.229 -4.199 50 HH11 ARG 6 HH11 ARG 6 -12.181 -1.863 -3.767 51 HH12 ARG 6 HH12 ARG 6 -11.172 -0.627 -3.047 52 HH21 ARG 6 HH21 ARG 6 -11.277 -3.578 -4.882 53 HH22 ARG 6 HH22 ARG 6 -9.543 -3.728 -5.064 54 H GLY 7 H GLY 7 -4.382 2.012 -1.399 55 HA2 GLY 7 HA3 GLY 7 -2.783 1.812 0.896 56 HA3 GLY 7 HA2 GLY 7 -2.535 0.295 0.015 57 H ILE 8 H ILE 8 -2.799 3.764 -0.855 58 HA ILE 8 HA ILE 8 -0.772 3.631 -2.929 59 HB ILE 8 HB ILE 8 -2.175 5.970 -1.604 60 HG12 ILE 8 HG13 ILE 8 -3.299 5.863 -4.080 61 HG13 ILE 8 HG12 ILE 8 -3.034 4.141 -3.776 62 HG21 ILE 8 HG21 ILE 8 -0.073 6.651 -2.731 63 HG22 ILE 8 HG22 ILE 8 -1.527 7.357 -3.476 64 HG23 ILE 8 HG23 ILE 8 -0.702 5.987 -4.258 65 HD11 ILE 8 HD11 ILE 8 -5.301 4.817 -3.104 66 HD12 ILE 8 HD12 ILE 8 -4.623 6.021 -1.984 67 HD13 ILE 8 HD13 ILE 8 -4.356 4.286 -1.693 68 H ASN 9 H ASN 9 -0.900 5.364 0.208 69 HA ASN 9 HA ASN 9 1.870 6.000 0.392 70 HB2 ASN 9 HB2 ASN 9 -0.158 7.019 1.561 71 HB3 ASN 9 HB3 ASN 9 0.010 5.725 2.747 72 HD21 ASN 9 HD21 ASN 9 1.713 8.543 4.348 73 HD22 ASN 9 HD22 ASN 9 0.095 7.956 4.035 74 H GLY 10 H GLY 10 0.071 3.268 1.906 75 HA2 GLY 10 HA2 GLY 10 2.133 2.116 3.439 76 HA3 GLY 10 HA3 GLY 10 0.804 1.211 2.697 77 H HIS 11 H HIS 11 1.350 1.295 -0.003 78 HA HIS 11 HA HIS 11 3.538 -0.544 -0.356 79 HB2 HIS 11 HB3 HIS 11 1.606 0.914 -2.149 80 HB3 HIS 11 HB2 HIS 11 3.014 0.122 -2.875 81 HD1 HIS 11 HD1 HIS 11 2.777 -2.568 -3.259 82 HD2 HIS 11 HD2 HIS 11 -0.035 -0.649 -0.671 83 HE1 HIS 11 HE1 HIS 11 0.921 -4.223 -2.570 84 H ASN 12 H ASN 12 3.295 3.019 -0.928 85 HA ASN 12 HA ASN 12 5.696 3.400 -2.365 86 HB2 ASN 12 HB3 ASN 12 3.809 5.015 -2.030 87 HB3 ASN 12 HB2 ASN 12 4.431 5.333 -0.406 88 HD21 ASN 12 HD21 ASN 12 5.125 5.734 -3.901 89 HD22 ASN 12 HD22 ASN 12 6.281 7.030 -3.692 90 H SER 13 H SER 13 5.437 2.800 1.142 91 HA SER 13 HA SER 13 8.375 3.184 1.360 92 HB2 SER 13 HB3 SER 13 6.185 4.077 3.127 93 HB3 SER 13 HB2 SER 13 7.566 3.333 3.966 94 HG SER 13 HG SER 13 7.856 5.603 3.616 95 H SER 14 H SER 14 5.712 0.895 2.330 96 HA SER 14 HA SER 14 7.570 -0.844 3.674 97 HB2 SER 14 HB3 SER 14 5.202 -0.778 4.267 98 HB3 SER 14 HB2 SER 14 4.816 -1.598 2.740 99 HG SER 14 HG SER 14 5.043 -3.071 4.505 100 H SER 15 H SER 15 6.254 -1.019 0.328 101 HA SER 15 HA SER 15 7.726 -3.418 -0.336 102 HB2 SER 15 HB3 SER 15 6.642 -1.242 -2.170 103 HB3 SER 15 HB2 SER 15 7.166 -2.863 -2.669 104 HG SER 15 HG SER 15 4.879 -2.719 -2.387 105 H SER 16 H SER 16 8.994 -0.229 0.221 106 HA SER 16 HA SER 16 11.104 -0.283 -1.803 107 HB2 SER 16 HB3 SER 16 10.697 1.505 0.634 108 HB3 SER 16 HB2 SER 16 11.928 1.748 -0.624 109 HG SER 16 HG SER 16 10.021 3.003 -0.992 110 H LEU 17 H LEU 17 12.997 -1.305 -1.685 111 HA LEU 17 HA LEU 17 13.788 -2.828 0.674 112 HB2 LEU 17 HB2 LEU 17 14.830 -2.406 -2.121 113 HB3 LEU 17 HB3 LEU 17 15.832 -3.240 -0.931 114 HG LEU 17 HG LEU 17 14.583 -4.696 -2.482 115 HD11 LEU 17 HD11 LEU 17 15.425 -5.492 -0.294 116 HD12 LEU 17 HD12 LEU 17 13.796 -5.243 0.380 117 HD13 LEU 17 HD13 LEU 17 14.047 -6.420 -0.933 118 HD21 LEU 17 HD21 LEU 17 12.423 -3.500 -2.651 119 HD22 LEU 17 HD22 LEU 17 12.274 -5.244 -2.325 120 HD23 LEU 17 HD23 LEU 17 12.023 -4.069 -1.012 Start of MODEL 29 1 H1 ASN 1 H1 ASN 1 -8.197 -3.487 5.532 2 H2 ASN 1 H2 ASN 1 -9.743 -3.527 6.106 3 H3 ASN 1 H3 ASN 1 -9.299 -2.376 5.011 4 HA ASN 1 HA ASN 1 -9.467 -5.269 4.543 5 HB2 ASN 1 HB3 ASN 1 -11.590 -3.833 4.796 6 HB3 ASN 1 HB2 ASN 1 -11.110 -3.052 3.285 7 HD21 ASN 1 HD21 ASN 1 -12.721 -6.864 3.201 8 HD22 ASN 1 HD22 ASN 1 -12.099 -6.208 4.699 9 H VAL 2 H VAL 2 -9.166 -5.946 2.350 10 HA VAL 2 HA VAL 2 -6.969 -4.513 1.011 11 HB VAL 2 HB VAL 2 -7.961 -7.327 0.554 12 HG11 VAL 2 HG11 VAL 2 -6.844 -6.403 -1.477 13 HG12 VAL 2 HG12 VAL 2 -5.972 -7.774 -0.749 14 HG13 VAL 2 HG13 VAL 2 -5.383 -6.112 -0.504 15 HG21 VAL 2 HG21 VAL 2 -6.865 -7.025 2.779 16 HG22 VAL 2 HG22 VAL 2 -5.984 -8.130 1.699 17 HG23 VAL 2 HG23 VAL 2 -5.394 -6.470 1.944 18 H HIS 3 H HIS 3 -10.129 -5.928 -0.038 19 HA HIS 3 HA HIS 3 -10.042 -4.968 -2.701 20 HB2 HIS 3 HB3 HIS 3 -11.521 -6.764 -1.516 21 HB3 HIS 3 HB2 HIS 3 -12.649 -5.412 -1.279 22 HD1 HIS 3 HD1 HIS 3 -10.798 -7.205 -4.257 23 HD2 HIS 3 HD2 HIS 3 -14.187 -4.752 -3.291 24 HE1 HIS 3 HE1 HIS 3 -12.304 -6.893 -6.322 25 H THR 4 H THR 4 -11.664 -3.436 0.093 26 HA THR 4 HA THR 4 -12.524 -1.135 -1.469 27 HB THR 4 HB THR 4 -13.280 -0.289 0.803 28 HG1 THR 4 HG1 THR 4 -11.884 -1.644 2.059 29 HG21 THR 4 HG21 THR 4 -15.205 -1.805 1.002 30 HG22 THR 4 HG22 THR 4 -14.409 -2.956 -0.097 31 HG23 THR 4 HG23 THR 4 -14.888 -1.347 -0.689 32 H PHE 5 H PHE 5 -10.468 -1.275 1.502 33 HA PHE 5 HA PHE 5 -9.242 1.301 0.879 34 HB2 PHE 5 HB3 PHE 5 -8.644 -0.702 3.084 35 HB3 PHE 5 HB2 PHE 5 -7.870 0.874 2.922 36 HD1 PHE 5 HD1 PHE 5 -9.053 2.954 3.473 37 HD2 PHE 5 HD2 PHE 5 -11.023 -0.867 3.849 38 HE1 PHE 5 HE1 PHE 5 -10.832 3.990 4.849 39 HE2 PHE 5 HE2 PHE 5 -12.805 0.186 5.218 40 HZ PHE 5 HZ PHE 5 -12.696 2.615 5.724 41 H ARG 6 H ARG 6 -7.475 1.700 -0.274 42 HA ARG 6 HA ARG 6 -5.891 -0.509 -1.382 43 HB2 ARG 6 HB2 ARG 6 -6.800 1.636 -2.576 44 HB3 ARG 6 HB3 ARG 6 -5.335 2.396 -1.944 45 HG2 ARG 6 HG3 ARG 6 -5.210 -0.142 -3.599 46 HG3 ARG 6 HG2 ARG 6 -5.320 1.455 -4.358 47 HD2 ARG 6 HD2 ARG 6 -3.226 2.151 -3.270 48 HD3 ARG 6 HD3 ARG 6 -3.114 0.585 -2.440 49 HE ARG 6 HE ARG 6 -3.252 -0.091 -5.128 50 HH11 ARG 6 HH11 ARG 6 -1.036 2.070 -3.294 51 HH12 ARG 6 HH12 ARG 6 0.292 1.738 -4.383 52 HH21 ARG 6 HH21 ARG 6 -1.489 -0.452 -6.418 53 HH22 ARG 6 HH22 ARG 6 0.039 0.342 -6.110 54 H GLY 7 H GLY 7 -4.846 2.609 -0.077 55 HA2 GLY 7 HA3 GLY 7 -3.392 2.969 1.811 56 HA3 GLY 7 HA2 GLY 7 -2.774 1.309 1.635 57 H ILE 8 H ILE 8 -3.067 4.311 -0.334 58 HA ILE 8 HA ILE 8 -0.967 3.934 -2.157 59 HB ILE 8 HB ILE 8 -2.112 6.475 -0.978 60 HG12 ILE 8 HG13 ILE 8 -3.278 6.352 -3.419 61 HG13 ILE 8 HG12 ILE 8 -3.141 4.625 -3.066 62 HG21 ILE 8 HG21 ILE 8 0.029 6.901 -2.156 63 HG22 ILE 8 HG22 ILE 8 -0.677 6.214 -3.637 64 HG23 ILE 8 HG23 ILE 8 -1.368 7.691 -2.924 65 HD11 ILE 8 HD11 ILE 8 -5.221 6.284 -2.271 66 HD12 ILE 8 HD12 ILE 8 -4.852 4.677 -1.600 67 HD13 ILE 8 HD13 ILE 8 -4.235 6.140 -0.797 68 H ASN 9 H ASN 9 -0.834 5.768 0.889 69 HA ASN 9 HA ASN 9 1.951 6.332 0.921 70 HB2 ASN 9 HB2 ASN 9 0.039 7.390 2.214 71 HB3 ASN 9 HB3 ASN 9 0.208 6.065 3.366 72 HD21 ASN 9 HD21 ASN 9 2.090 8.774 4.951 73 HD22 ASN 9 HD22 ASN 9 0.439 8.252 4.703 74 H GLY 10 H GLY 10 0.192 3.638 2.538 75 HA2 GLY 10 HA2 GLY 10 2.357 2.385 3.859 76 HA3 GLY 10 HA3 GLY 10 0.905 1.553 3.275 77 H HIS 11 H HIS 11 1.153 1.666 0.515 78 HA HIS 11 HA HIS 11 3.128 -0.309 -0.141 79 HB2 HIS 11 HB2 HIS 11 1.281 1.485 -1.733 80 HB3 HIS 11 HB3 HIS 11 2.439 0.436 -2.558 81 HD1 HIS 11 HD1 HIS 11 -0.862 0.222 -0.477 82 HD2 HIS 11 HD2 HIS 11 1.876 -2.101 -2.802 83 HE1 HIS 11 HE1 HIS 11 -1.955 -1.993 -1.187 84 H ASN 12 H ASN 12 3.163 3.296 -0.550 85 HA ASN 12 HA ASN 12 5.440 3.529 -2.201 86 HB2 ASN 12 HB2 ASN 12 3.735 5.270 -1.608 87 HB3 ASN 12 HB3 ASN 12 4.566 5.494 -0.063 88 HD21 ASN 12 HD21 ASN 12 6.966 7.729 -1.390 89 HD22 ASN 12 HD22 ASN 12 6.248 6.980 0.018 90 H SER 13 H SER 13 5.458 2.836 1.301 91 HA SER 13 HA SER 13 8.425 2.966 1.255 92 HB2 SER 13 HB3 SER 13 6.468 3.894 3.267 93 HB3 SER 13 HB2 SER 13 7.877 3.029 3.923 94 HG SER 13 HG SER 13 8.270 5.295 3.660 95 H SER 14 H SER 14 5.691 0.823 2.354 96 HA SER 14 HA SER 14 7.522 -1.115 3.431 97 HB2 SER 14 HB3 SER 14 5.224 -0.920 4.237 98 HB3 SER 14 HB2 SER 14 4.655 -1.643 2.718 99 HG SER 14 HG SER 14 4.938 -3.208 4.396 100 H SER 15 H SER 15 5.920 -1.008 0.206 101 HA SER 15 HA SER 15 7.145 -3.463 -0.700 102 HB2 SER 15 HB3 SER 15 6.102 -1.108 -2.323 103 HB3 SER 15 HB2 SER 15 6.470 -2.725 -2.953 104 HG SER 15 HG SER 15 4.225 -2.447 -2.484 105 H SER 16 H SER 16 8.704 -0.411 -0.092 106 HA SER 16 HA SER 16 10.650 -0.527 -2.273 107 HB2 SER 16 HB3 SER 16 10.570 1.161 0.263 108 HB3 SER 16 HB2 SER 16 11.721 1.370 -1.074 109 HG SER 16 HG SER 16 9.904 2.788 -1.238 110 H LEU 17 H LEU 17 12.455 -1.698 -2.349 111 HA LEU 17 HA LEU 17 13.293 -3.396 -0.128 112 HB2 LEU 17 HB2 LEU 17 14.156 -2.915 -2.973 113 HB3 LEU 17 HB3 LEU 17 15.172 -3.885 -1.902 114 HG LEU 17 HG LEU 17 13.697 -5.158 -3.416 115 HD11 LEU 17 HD11 LEU 17 14.628 -6.127 -1.336 116 HD12 LEU 17 HD12 LEU 17 13.136 -6.910 -1.908 117 HD13 LEU 17 HD13 LEU 17 13.079 -5.788 -0.529 118 HD21 LEU 17 HD21 LEU 17 11.634 -3.791 -3.363 119 HD22 LEU 17 HD22 LEU 17 11.312 -4.408 -1.725 120 HD23 LEU 17 HD23 LEU 17 11.370 -5.532 -3.105 Start of MODEL 30 1 H1 ASN 1 H1 ASN 1 -13.154 1.744 8.815 2 H2 ASN 1 H2 ASN 1 -13.340 3.179 9.605 3 H3 ASN 1 H3 ASN 1 -11.863 2.445 9.564 4 HA ASN 1 HA ASN 1 -13.332 3.634 7.332 5 HB2 ASN 1 HB3 ASN 1 -12.211 5.034 9.137 6 HB3 ASN 1 HB2 ASN 1 -10.671 4.462 8.487 7 HD21 ASN 1 HD21 ASN 1 -10.552 7.304 6.414 8 HD22 ASN 1 HD22 ASN 1 -9.773 6.305 7.620 9 H VAL 2 H VAL 2 -11.626 0.939 7.720 10 HA VAL 2 HA VAL 2 -9.548 0.962 5.790 11 HB VAL 2 HB VAL 2 -11.123 -1.409 6.790 12 HG11 VAL 2 HG21 VAL 2 -9.727 -1.955 4.793 13 HG12 VAL 2 HG22 VAL 2 -9.232 -2.818 6.268 14 HG13 VAL 2 HG23 VAL 2 -8.288 -1.422 5.695 15 HG21 VAL 2 HG11 VAL 2 -10.089 -0.121 8.665 16 HG22 VAL 2 HG12 VAL 2 -9.440 -1.768 8.487 17 HG23 VAL 2 HG13 VAL 2 -8.496 -0.372 7.914 18 H HIS 3 H HIS 3 -13.003 0.151 5.308 19 HA HIS 3 HA HIS 3 -12.980 -0.927 2.733 20 HB2 HIS 3 HB3 HIS 3 -14.856 -0.507 4.520 21 HB3 HIS 3 HB2 HIS 3 -15.155 0.970 3.581 22 HD1 HIS 3 HD1 HIS 3 -17.543 0.047 2.587 23 HD2 HIS 3 HD2 HIS 3 -14.012 -2.271 1.822 24 HE1 HIS 3 HE1 HIS 3 -18.015 -1.750 0.801 25 H THR 4 H THR 4 -12.999 2.549 3.515 26 HA THR 4 HA THR 4 -13.279 3.498 0.814 27 HB THR 4 HB THR 4 -12.500 5.689 1.864 28 HG1 THR 4 HG1 THR 4 -11.412 4.730 3.670 29 HG21 THR 4 HG21 THR 4 -14.575 6.101 3.116 30 HG22 THR 4 HG22 THR 4 -14.878 5.260 1.577 31 HG23 THR 4 HG23 THR 4 -14.923 4.356 3.109 32 H PHE 5 H PHE 5 -10.397 3.657 2.982 33 HA PHE 5 HA PHE 5 -8.584 4.302 0.831 34 HB2 PHE 5 HB2 PHE 5 -6.807 4.193 2.414 35 HB3 PHE 5 HB3 PHE 5 -8.140 5.185 2.940 36 HD1 PHE 5 HD1 PHE 5 -6.806 1.656 3.413 37 HD2 PHE 5 HD2 PHE 5 -8.670 5.120 5.190 38 HE1 PHE 5 HE1 PHE 5 -6.498 0.674 5.653 39 HE2 PHE 5 HE2 PHE 5 -8.323 4.138 7.439 40 HZ PHE 5 HZ PHE 5 -7.232 1.918 7.680 41 H ARG 6 H ARG 6 -7.029 3.164 -0.240 42 HA ARG 6 HA ARG 6 -7.297 0.204 -0.283 43 HB2 ARG 6 HB3 ARG 6 -7.301 2.062 -2.295 44 HB3 ARG 6 HB2 ARG 6 -5.596 1.602 -2.273 45 HG2 ARG 6 HG2 ARG 6 -6.440 0.188 -3.874 46 HG3 ARG 6 HG3 ARG 6 -6.463 -0.841 -2.439 47 HD2 ARG 6 HD3 ARG 6 -8.931 0.660 -3.369 48 HD3 ARG 6 HD2 ARG 6 -8.486 -0.922 -4.034 49 HE ARG 6 HE ARG 6 -8.693 -1.841 -1.723 50 HH11 ARG 6 HH11 ARG 6 -11.521 0.975 -1.033 51 HH12 ARG 6 HH12 ARG 6 -10.425 1.243 -2.370 52 HH21 ARG 6 HH21 ARG 6 -11.347 -0.848 0.245 53 HH22 ARG 6 HH22 ARG 6 -10.114 -2.052 -0.055 54 H GLY 7 H GLY 7 -4.509 2.287 -1.017 55 HA2 GLY 7 HA3 GLY 7 -2.892 2.092 1.208 56 HA3 GLY 7 HA2 GLY 7 -2.633 0.539 0.390 57 H ILE 8 H ILE 8 -2.867 4.009 -0.491 58 HA ILE 8 HA ILE 8 -0.988 3.846 -2.686 59 HB ILE 8 HB ILE 8 -2.142 6.216 -1.192 60 HG12 ILE 8 HG13 ILE 8 -3.482 6.266 -3.551 61 HG13 ILE 8 HG12 ILE 8 -3.286 4.521 -3.347 62 HG21 ILE 8 HG21 ILE 8 -0.104 6.805 -2.478 63 HG22 ILE 8 HG22 ILE 8 -1.570 7.618 -3.075 64 HG23 ILE 8 HG23 ILE 8 -0.901 6.227 -3.961 65 HD11 ILE 8 HD11 ILE 8 -5.450 5.277 -2.455 66 HD12 ILE 8 HD12 ILE 8 -4.421 4.631 -1.155 67 HD13 ILE 8 HD13 ILE 8 -4.617 6.390 -1.344 68 H ASN 9 H ASN 9 -0.788 5.483 0.491 69 HA ASN 9 HA ASN 9 2.019 5.976 0.474 70 HB2 ASN 9 HB2 ASN 9 0.122 7.069 1.796 71 HB3 ASN 9 HB3 ASN 9 0.330 5.759 2.959 72 HD21 ASN 9 HD21 ASN 9 2.273 8.490 4.434 73 HD22 ASN 9 HD22 ASN 9 0.611 7.973 4.250 74 H GLY 10 H GLY 10 0.198 3.314 2.084 75 HA2 GLY 10 HA2 GLY 10 2.280 2.045 3.476 76 HA3 GLY 10 HA3 GLY 10 0.878 1.209 2.788 77 H HIS 11 H HIS 11 1.276 1.261 0.092 78 HA HIS 11 HA HIS 11 3.404 -0.631 -0.383 79 HB2 HIS 11 HB3 HIS 11 1.444 0.882 -2.135 80 HB3 HIS 11 HB2 HIS 11 2.710 -0.130 -2.847 81 HD1 HIS 11 HD1 HIS 11 -0.480 -0.541 -0.572 82 HD2 HIS 11 HD2 HIS 11 2.336 -2.685 -2.983 83 HE1 HIS 11 HE1 HIS 11 -1.266 -2.967 -0.924 84 H ASN 12 H ASN 12 3.150 2.936 -1.018 85 HA ASN 12 HA ASN 12 5.457 3.248 -2.609 86 HB2 ASN 12 HB2 ASN 12 3.637 4.904 -2.185 87 HB3 ASN 12 HB3 ASN 12 4.362 5.248 -0.609 88 HD21 ASN 12 HD21 ASN 12 5.942 6.843 -0.505 89 HD22 ASN 12 HD22 ASN 12 6.685 7.582 -1.906 90 H SER 13 H SER 13 5.393 2.847 0.950 91 HA SER 13 HA SER 13 8.346 3.142 0.980 92 HB2 SER 13 HB3 SER 13 6.262 4.037 2.873 93 HB3 SER 13 HB2 SER 13 7.703 3.312 3.621 94 HG SER 13 HG SER 13 7.948 5.583 3.238 95 H SER 14 H SER 14 5.748 0.839 2.086 96 HA SER 14 HA SER 14 7.674 -0.856 3.371 97 HB2 SER 14 HB3 SER 14 5.295 -0.847 3.991 98 HB3 SER 14 HB2 SER 14 4.952 -1.772 2.513 99 HG SER 14 HG SER 14 5.292 -3.132 4.352 100 H SER 15 H SER 15 6.338 -1.073 0.023 101 HA SER 15 HA SER 15 7.756 -3.457 -0.678 102 HB2 SER 15 HB2 SER 15 7.338 -2.870 -2.949 103 HB3 SER 15 HB3 SER 15 5.942 -2.326 -2.004 104 HG SER 15 HG SER 15 7.874 -0.837 -3.371 105 H SER 16 H SER 16 8.984 -0.193 -0.262 106 HA SER 16 HA SER 16 11.428 -0.504 -1.827 107 HB2 SER 16 HB3 SER 16 10.592 1.634 0.180 108 HB3 SER 16 HB2 SER 16 12.000 1.721 -0.898 109 HG SER 16 HG SER 16 10.160 2.831 -1.751 110 H LEU 17 H LEU 17 13.266 -1.433 -1.200 111 HA LEU 17 HA LEU 17 13.611 -2.521 1.486 112 HB2 LEU 17 HB2 LEU 17 15.145 -2.538 -1.107 113 HB3 LEU 17 HB3 LEU 17 15.911 -3.136 0.367 114 HG LEU 17 HG LEU 17 14.964 -4.864 -1.116 115 HD11 LEU 17 HD11 LEU 17 15.384 -5.260 1.291 116 HD12 LEU 17 HD12 LEU 17 14.146 -6.320 0.576 117 HD13 LEU 17 HD13 LEU 17 13.659 -4.951 1.604 118 HD21 LEU 17 HD21 LEU 17 12.875 -3.774 -1.876 119 HD22 LEU 17 HD22 LEU 17 12.664 -5.442 -1.293 120 HD23 LEU 17 HD23 LEU 17 12.178 -4.074 -0.265
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