NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592413 | 2mso | 25128 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 -6.020 4.614 2.100 2 HA SER 1 HA SER 1 -7.433 2.647 3.660 3 HB3 SER 1 2HB SER 1 -5.876 1.929 1.206 4 HG SER 1 HG SER 1 -8.052 0.909 0.875 5 H CYS 2 H CYS 2 -4.148 2.768 2.268 6 HA CYS 2 HA CYS 2 -3.181 1.299 4.621 7 HB3 CYS 2 2HB CYS 2 -1.775 -0.116 3.212 8 H ASN 3 H ASN 3 -1.875 2.710 5.590 9 HA ASN 3 HA ASN 3 0.071 4.168 3.924 10 HB3 ASN 3 2HB ASN 3 0.022 5.781 6.008 11 HD21 ASN 3 1HD2 ASN 3 0.147 7.457 4.696 12 HD22 ASN 3 2HD2 ASN 3 -1.056 7.940 3.553 13 H ASN 4 H ASN 4 1.098 1.922 4.437 14 HA ASN 4 HA ASN 4 2.909 2.354 6.695 15 HB3 ASN 4 2HB ASN 4 1.546 0.811 7.761 16 HD21 ASN 4 1HD2 ASN 4 2.042 -1.829 5.763 17 HD22 ASN 4 2HD2 ASN 4 0.438 -1.988 5.141 18 H SER 5 H SER 5 4.935 1.259 6.504 19 HA SER 5 HA SER 5 5.877 1.135 3.811 20 HB3 SER 5 2HB SER 5 7.294 1.964 5.645 21 HG SER 5 HG SER 5 7.912 0.684 7.276 22 H CYS 6 H CYS 6 6.823 -0.659 2.744 23 HA CYS 6 HA CYS 6 6.779 -3.296 3.733 24 HB3 CYS 6 2HB CYS 6 4.393 -3.208 3.624 25 H GLN 7 H GLN 7 7.171 -4.915 1.969 26 HA GLN 7 HA GLN 7 8.468 -3.642 -0.349 27 HB3 GLN 7 2HB GLN 7 10.035 -5.715 -0.188 28 HG3 GLN 7 2HG GLN 7 11.506 -4.603 1.484 29 HE21 GLN 7 1HE2 GLN 7 10.664 -1.596 0.818 30 HE22 GLN 7 2HE2 GLN 7 11.349 -1.397 -0.754 31 H SER 8 H SER 8 7.018 -6.624 0.908 32 HA SER 8 HA SER 8 5.965 -7.157 -1.776 33 HB3 SER 8 2HB SER 8 7.919 -8.580 -1.606 34 HG SER 8 HG SER 8 8.373 -8.933 0.459 35 H HIS 9 H HIS 9 4.236 -6.054 -0.315 36 HA HIS 9 HA HIS 9 2.267 -6.187 0.823 37 HB3 HIS 9 2HB HIS 9 1.035 -8.417 0.487 38 HD1 HIS 9 1HD HIS 9 2.765 -7.727 -2.758 39 HD2 HIS 9 2HD HIS 9 -0.662 -6.557 -0.721 40 HE1 HIS 9 1HE HIS 9 1.375 -6.478 -4.441 41 H SER 10 H SER 10 4.733 -6.867 2.259 42 HA SER 10 HA SER 10 4.157 -9.019 4.052 43 HB3 SER 10 2HB SER 10 6.450 -8.580 3.802 44 HG SER 10 HG SER 10 6.194 -5.889 4.577 45 H ASP 11 H ASP 11 3.800 -5.514 4.147 46 HA ASP 11 HA ASP 11 2.450 -5.763 6.752 47 HB3 ASP 11 2HB ASP 11 2.911 -3.386 7.077 48 H CYS 12 H CYS 12 2.075 -4.871 3.437 49 HA CYS 12 HA CYS 12 -0.224 -3.256 3.638 50 HB3 CYS 12 2HB CYS 12 -0.505 -3.628 1.277 51 H ALA 13 H ALA 13 -2.411 -3.862 2.885 52 HA ALA 13 HA ALA 13 -3.219 -6.613 3.040 53 HB1 ALA 13 1HB ALA 13 -3.101 -6.389 5.366 54 HB2 ALA 13 2HB ALA 13 -3.767 -4.755 5.332 55 HB3 ALA 13 3HB ALA 13 -4.806 -6.137 4.986 56 H SER 14 H SER 14 -5.638 -6.812 2.879 57 HA SER 14 HA SER 14 -7.559 -6.376 1.741 58 HB3 SER 14 2HB SER 14 -8.190 -3.830 1.715 59 HG SER 14 HG SER 14 -7.905 -5.434 4.028 60 H HIS 15 H HIS 15 -5.524 -6.873 0.084 61 HA HIS 15 HA HIS 15 -4.701 -6.587 -2.023 62 HB3 HIS 15 2HB HIS 15 -6.319 -5.761 -3.693 63 HD1 HIS 15 1HD HIS 15 -5.791 -8.447 -1.750 64 HD2 HIS 15 2HD HIS 15 -9.302 -7.020 -3.453 65 HE1 HIS 15 1HE HIS 15 -7.332 -10.431 -1.877 66 H CYS 16 H CYS 16 -3.441 -4.884 -0.475 67 HA CYS 16 HA CYS 16 -3.586 -2.257 -1.792 68 HB3 CYS 16 2HB CYS 16 -1.982 -1.756 0.290 69 H ILE 17 H ILE 17 -2.126 -1.935 -3.322 70 HA ILE 17 HA ILE 17 0.035 -3.598 -3.888 71 HB ILE 17 HB ILE 17 -0.192 -0.678 -4.622 72 HG13 ILE 17 2HG1 ILE 17 -1.261 -1.504 -6.699 73 HG21 ILE 17 1HG2 ILE 17 1.009 -1.854 -6.716 74 HG22 ILE 17 2HG2 ILE 17 1.889 -1.138 -5.367 75 HG23 ILE 17 3HG2 ILE 17 1.608 -2.878 -5.410 76 HD11 ILE 17 3HD1 ILE 17 -1.995 -4.082 -5.497 77 HD12 ILE 17 1HD1 ILE 17 -1.719 -3.646 -7.183 78 HD13 ILE 17 2HD1 ILE 17 -0.349 -3.962 -6.118 79 H CYS 18 H CYS 18 2.256 -3.423 -3.568 80 HA CYS 18 HA CYS 18 3.110 -1.504 -1.503 81 HB3 CYS 18 2HB CYS 18 4.768 -3.537 -0.973 82 H THR 19 H THR 19 4.961 -0.436 -1.894 83 HA THR 19 HA THR 19 6.833 -1.437 -3.893 84 HB THR 19 HB THR 19 6.895 0.673 -5.127 85 HG1 THR 19 1HG THR 19 5.277 2.247 -4.701 86 HG21 THR 19 3HG2 THR 19 4.678 0.514 -6.235 87 HG22 THR 19 1HG2 THR 19 4.142 -0.553 -4.939 88 HG23 THR 19 2HG2 THR 19 5.452 -1.055 -6.008 89 H PHE 20 H PHE 20 8.573 0.540 -4.143 90 HA PHE 20 HA PHE 20 10.017 0.542 -1.762 91 HB3 PHE 20 2HB PHE 20 11.166 0.919 -3.827 92 HD1 PHE 20 1HD PHE 20 10.082 4.409 -3.369 93 HD2 PHE 20 2HD PHE 20 10.038 0.994 -5.908 94 HE1 PHE 20 1HE PHE 20 9.196 5.789 -5.203 95 HE2 PHE 20 2HE PHE 20 9.152 2.369 -7.747 96 HZ PHE 20 HZ PHE 20 8.731 4.770 -7.396 97 H ARG 21 H ARG 21 7.477 2.616 -2.841 98 HA ARG 21 HA ARG 21 8.054 4.610 -0.782 99 HB3 ARG 21 2HB ARG 21 5.849 5.590 -1.872 100 HG3 ARG 21 2HG ARG 21 7.392 6.356 -3.888 101 HD3 ARG 21 2HD ARG 21 6.616 7.516 -1.650 102 HE ARG 21 HE ARG 21 9.116 6.521 -0.831 103 HH11 ARG 21 1HH1 ARG 21 7.246 9.457 -0.812 104 HH12 ARG 21 2HH1 ARG 21 7.988 10.074 0.626 105 HH21 ARG 21 1HH2 ARG 21 10.100 7.323 1.064 106 HH22 ARG 21 2HH2 ARG 21 9.613 8.861 1.692 107 H GLY 22 H GLY 22 7.110 1.823 -0.229 108 HA2 GLY 22 2HA GLY 22 5.864 1.005 1.560 109 HA3 GLY 22 3HA GLY 22 5.070 2.568 1.688 110 H CYS 23 H CYS 23 3.105 1.334 1.990 111 HA CYS 23 HA CYS 23 2.100 -0.186 -0.260 112 HB3 CYS 23 2HB CYS 23 0.116 -0.539 1.140 113 H GLY 24 H GLY 24 -0.109 0.297 -1.120 114 HA2 GLY 24 2HA GLY 24 -0.590 3.205 -1.273 115 HA3 GLY 24 3HA GLY 24 -0.548 2.215 -2.724 116 H ALA 25 H ALA 25 -2.738 3.815 -1.967 117 HA ALA 25 HA ALA 25 -4.745 1.774 -1.262 118 HB1 ALA 25 1HB ALA 25 -6.180 3.722 -0.591 119 HB2 ALA 25 2HB ALA 25 -4.756 3.456 0.416 120 HB3 ALA 25 3HB ALA 25 -4.757 4.746 -0.786 121 H VAL 26 H VAL 26 -7.004 2.493 -2.152 122 HA VAL 26 HA VAL 26 -6.636 3.106 -5.010 123 HB VAL 26 HB VAL 26 -8.750 1.877 -5.389 124 HG11 VAL 26 1HG1 VAL 26 -7.774 -0.230 -5.398 125 HG12 VAL 26 2HG1 VAL 26 -6.378 0.848 -5.369 126 HG13 VAL 26 3HG1 VAL 26 -6.910 0.053 -3.887 127 HG21 VAL 26 3HG2 VAL 26 -8.887 2.017 -2.531 128 HG22 VAL 26 1HG2 VAL 26 -10.112 1.480 -3.680 129 HG23 VAL 26 2HG2 VAL 26 -8.935 0.331 -3.046 130 H ASN 27 H ASN 27 -8.042 4.521 -6.040 131 HA ASN 27 HA ASN 27 -9.328 6.386 -6.247 132 HB3 ASN 27 2HB ASN 27 -11.417 6.450 -4.880 133 HD21 ASN 27 1HD2 ASN 27 -12.755 4.006 -4.667 134 HD22 ASN 27 2HD2 ASN 27 -12.817 3.279 -6.233 135 H GLY 28 H GLY 28 -7.008 6.365 -4.382 136 HA2 GLY 28 2HA GLY 28 -5.979 7.820 -2.935 137 HA3 GLY 28 3HA GLY 28 -7.179 8.996 -3.450 138 H LEU 29 H LEU 29 -7.583 5.945 -1.678 139 HA LEU 29 HA LEU 29 -9.104 7.395 0.350 140 HB3 LEU 29 2HB LEU 29 -9.176 4.734 1.041 141 HG LEU 29 HG LEU 29 -11.204 6.054 0.921 142 HD11 LEU 29 1HD1 LEU 29 -11.295 7.413 -0.871 143 HD12 LEU 29 2HD1 LEU 29 -12.140 6.051 -1.605 144 HD13 LEU 29 3HD1 LEU 29 -10.419 6.286 -1.907 145 HD21 LEU 29 3HD2 LEU 29 -11.669 3.766 0.965 146 HD22 LEU 29 1HD2 LEU 29 -11.110 3.526 -0.690 147 HD23 LEU 29 2HD2 LEU 29 -12.629 4.371 -0.387 148 HA PRO 30 HA PRO 30 -6.074 7.177 3.515 149 HB3 PRO 30 2HB PRO 30 -7.607 8.151 4.921 150 HG3 PRO 30 2HG PRO 30 -9.859 7.579 4.823 151 HD3 PRO 30 2HD PRO 30 -9.458 7.995 2.592 Start of MODEL 2 1 H1 SER 1 H SER 1 -7.017 4.137 2.867 2 HA SER 1 HA SER 1 -7.185 2.593 5.169 3 HB3 SER 1 2HB SER 1 -6.951 1.838 2.259 4 HG SER 1 HG SER 1 -7.252 -0.254 2.802 5 H CYS 2 H CYS 2 -4.872 1.846 2.573 6 HA CYS 2 HA CYS 2 -3.037 0.771 4.572 7 HB3 CYS 2 2HB CYS 2 -1.811 -0.129 2.604 8 H ASN 3 H ASN 3 -1.789 2.288 5.479 9 HA ASN 3 HA ASN 3 -0.454 4.220 3.697 10 HB3 ASN 3 2HB ASN 3 -0.401 5.802 5.496 11 HD21 ASN 3 1HD2 ASN 3 -1.860 7.004 4.465 12 HD22 ASN 3 2HD2 ASN 3 -3.570 6.775 4.544 13 H ASN 4 H ASN 4 -0.083 1.798 6.146 14 HA ASN 4 HA ASN 4 2.459 2.303 7.112 15 HB3 ASN 4 2HB ASN 4 1.015 0.520 7.985 16 HD21 ASN 4 1HD2 ASN 4 1.355 -2.141 7.648 17 HD22 ASN 4 2HD2 ASN 4 0.580 -2.665 6.196 18 H SER 5 H SER 5 4.489 1.136 6.593 19 HA SER 5 HA SER 5 4.993 1.313 3.729 20 HB3 SER 5 2HB SER 5 7.425 0.925 4.575 21 HG SER 5 HG SER 5 6.464 3.284 5.668 22 H CYS 6 H CYS 6 6.435 -0.327 2.721 23 HA CYS 6 HA CYS 6 6.781 -2.903 3.787 24 HB3 CYS 6 2HB CYS 6 4.440 -3.254 3.690 25 H GLN 7 H GLN 7 7.075 -4.548 1.838 26 HA GLN 7 HA GLN 7 8.309 -3.138 -0.423 27 HB3 GLN 7 2HB GLN 7 10.144 -3.651 1.032 28 HG3 GLN 7 2HG GLN 7 9.401 -6.556 0.989 29 HE21 GLN 7 1HE2 GLN 7 11.065 -7.748 1.545 30 HE22 GLN 7 2HE2 GLN 7 12.439 -7.227 2.454 31 H SER 8 H SER 8 7.323 -6.303 0.858 32 HA SER 8 HA SER 8 6.284 -6.965 -1.807 33 HB3 SER 8 2HB SER 8 7.080 -9.316 -1.479 34 HG SER 8 HG SER 8 8.383 -8.089 -2.765 35 H HIS 9 H HIS 9 4.479 -6.041 -0.262 36 HA HIS 9 HA HIS 9 2.550 -6.407 0.891 37 HB3 HIS 9 2HB HIS 9 1.575 -8.768 0.552 38 HD1 HIS 9 1HD HIS 9 -0.362 -7.626 -0.533 39 HD2 HIS 9 2HD HIS 9 3.127 -7.281 -2.763 40 HE1 HIS 9 1HE HIS 9 -1.054 -6.563 -2.705 41 H SER 10 H SER 10 5.024 -6.726 2.339 42 HA SER 10 HA SER 10 4.725 -8.980 4.104 43 HB3 SER 10 2HB SER 10 6.964 -8.310 3.783 44 HG SER 10 HG SER 10 7.608 -6.267 3.670 45 H ASP 11 H ASP 11 3.930 -5.565 4.146 46 HA ASP 11 HA ASP 11 2.674 -5.936 6.787 47 HB3 ASP 11 2HB ASP 11 2.946 -3.531 7.145 48 H CYS 12 H CYS 12 2.225 -5.046 3.485 49 HA CYS 12 HA CYS 12 -0.190 -3.607 3.712 50 HB3 CYS 12 2HB CYS 12 -0.440 -3.954 1.346 51 H ALA 13 H ALA 13 -2.308 -4.406 2.842 52 HA ALA 13 HA ALA 13 -2.903 -7.197 2.977 53 HB1 ALA 13 1HB ALA 13 -2.831 -7.070 5.296 54 HB2 ALA 13 2HB ALA 13 -3.537 -5.454 5.328 55 HB3 ALA 13 3HB ALA 13 -4.543 -6.847 4.934 56 H SER 14 H SER 14 -5.308 -7.576 2.828 57 HA SER 14 HA SER 14 -7.259 -7.266 1.698 58 HB3 SER 14 2HB SER 14 -8.246 -4.940 1.815 59 HG SER 14 HG SER 14 -8.900 -5.645 3.669 60 H HIS 15 H HIS 15 -5.205 -7.570 0.022 61 HA HIS 15 HA HIS 15 -4.417 -7.173 -2.079 62 HB3 HIS 15 2HB HIS 15 -6.168 -6.203 -3.669 63 HD1 HIS 15 1HD HIS 15 -5.821 -9.000 -1.299 64 HD2 HIS 15 2HD HIS 15 -8.010 -8.135 -4.722 65 HE1 HIS 15 1HE HIS 15 -6.725 -11.207 -2.094 66 H CYS 16 H CYS 16 -3.232 -5.446 -0.534 67 HA CYS 16 HA CYS 16 -3.575 -2.797 -1.775 68 HB3 CYS 16 2HB CYS 16 -2.003 -2.245 0.327 69 H ILE 17 H ILE 17 -2.165 -2.436 -3.348 70 HA ILE 17 HA ILE 17 0.124 -3.911 -3.892 71 HB ILE 17 HB ILE 17 -0.962 -2.455 -5.546 72 HG13 ILE 17 2HG1 ILE 17 1.959 -1.899 -4.996 73 HG21 ILE 17 1HG2 ILE 17 0.360 -0.116 -4.200 74 HG22 ILE 17 2HG2 ILE 17 -0.824 -0.105 -5.506 75 HG23 ILE 17 3HG2 ILE 17 -1.312 -0.576 -3.879 76 HD11 ILE 17 3HD1 ILE 17 0.662 -3.778 -6.956 77 HD12 ILE 17 1HD1 ILE 17 2.393 -3.515 -6.740 78 HD13 ILE 17 2HD1 ILE 17 1.443 -4.247 -5.447 79 H CYS 18 H CYS 18 2.262 -3.724 -3.399 80 HA CYS 18 HA CYS 18 2.979 -1.686 -1.394 81 HB3 CYS 18 2HB CYS 18 4.801 -3.579 -0.887 82 H THR 19 H THR 19 4.089 -0.176 -2.477 83 HA THR 19 HA THR 19 6.156 -1.056 -4.380 84 HB THR 19 HB THR 19 5.547 1.810 -4.345 85 HG1 THR 19 1HG THR 19 3.451 1.633 -4.484 86 HG21 THR 19 3HG2 THR 19 5.041 0.483 -6.831 87 HG22 THR 19 1HG2 THR 19 6.526 -0.151 -6.123 88 HG23 THR 19 2HG2 THR 19 6.355 1.581 -6.408 89 H PHE 20 H PHE 20 7.874 0.912 -4.535 90 HA PHE 20 HA PHE 20 9.484 0.688 -2.272 91 HB3 PHE 20 2HB PHE 20 10.537 1.255 -4.320 92 HD1 PHE 20 1HD PHE 20 9.246 4.644 -3.618 93 HD2 PHE 20 2HD PHE 20 9.399 1.404 -6.373 94 HE1 PHE 20 1HE PHE 20 8.219 6.067 -5.343 95 HE2 PHE 20 2HE PHE 20 8.374 2.821 -8.103 96 HZ PHE 20 HZ PHE 20 7.782 5.156 -7.588 97 H ARG 21 H ARG 21 6.879 2.840 -2.957 98 HA ARG 21 HA ARG 21 7.619 4.650 -0.788 99 HB3 ARG 21 2HB ARG 21 5.256 5.617 -1.632 100 HG3 ARG 21 2HG ARG 21 7.712 6.054 -3.303 101 HD3 ARG 21 2HD ARG 21 5.389 7.121 -3.771 102 HE ARG 21 HE ARG 21 5.745 8.137 -1.205 103 HH11 ARG 21 1HH1 ARG 21 5.062 9.310 -4.410 104 HH12 ARG 21 2HH1 ARG 21 4.159 10.681 -3.858 105 HH21 ARG 21 1HH2 ARG 21 4.557 9.938 -0.463 106 HH22 ARG 21 2HH2 ARG 21 3.873 11.037 -1.612 107 H GLY 22 H GLY 22 6.678 1.791 -0.473 108 HA2 GLY 22 2HA GLY 22 5.616 0.811 1.363 109 HA3 GLY 22 3HA GLY 22 4.837 2.349 1.704 110 H CYS 23 H CYS 23 2.932 0.998 2.070 111 HA CYS 23 HA CYS 23 1.728 -0.311 -0.199 112 HB3 CYS 23 2HB CYS 23 -0.082 -0.857 1.299 113 H GLY 24 H GLY 24 -0.701 0.227 -0.588 114 HA2 GLY 24 2HA GLY 24 -1.381 3.028 -0.367 115 HA3 GLY 24 3HA GLY 24 -0.980 2.516 -2.000 116 H ALA 25 H ALA 25 -3.523 3.483 -0.845 117 HA ALA 25 HA ALA 25 -5.212 1.107 -1.231 118 HB1 ALA 25 1HB ALA 25 -5.302 2.924 0.778 119 HB2 ALA 25 2HB ALA 25 -6.499 3.590 -0.335 120 HB3 ALA 25 3HB ALA 25 -6.671 1.939 0.261 121 H VAL 26 H VAL 26 -7.303 1.507 -2.377 122 HA VAL 26 HA VAL 26 -6.909 2.308 -4.990 123 HB VAL 26 HB VAL 26 -9.376 2.365 -5.212 124 HG11 VAL 26 1HG1 VAL 26 -9.012 -0.021 -3.542 125 HG12 VAL 26 2HG1 VAL 26 -9.464 0.119 -5.243 126 HG13 VAL 26 3HG1 VAL 26 -7.768 0.220 -4.769 127 HG21 VAL 26 3HG2 VAL 26 -10.108 3.343 -3.195 128 HG22 VAL 26 1HG2 VAL 26 -10.673 1.673 -3.139 129 HG23 VAL 26 2HG2 VAL 26 -9.250 2.154 -2.214 130 H ASN 27 H ASN 27 -6.884 4.195 -6.040 131 HA ASN 27 HA ASN 27 -6.928 6.433 -6.444 132 HB3 ASN 27 2HB ASN 27 -9.194 6.575 -4.455 133 HD21 ASN 27 1HD2 ASN 27 -8.171 7.554 -7.713 134 HD22 ASN 27 2HD2 ASN 27 -8.678 9.199 -7.560 135 H GLY 28 H GLY 28 -5.364 5.335 -4.166 136 HA2 GLY 28 2HA GLY 28 -4.069 6.098 -2.429 137 HA3 GLY 28 3HA GLY 28 -4.198 7.661 -3.221 138 H LEU 29 H LEU 29 -6.170 5.497 -1.186 139 HA LEU 29 HA LEU 29 -7.102 7.890 0.259 140 HB3 LEU 29 2HB LEU 29 -8.837 5.807 0.875 141 HG LEU 29 HG LEU 29 -9.245 8.330 0.076 142 HD11 LEU 29 1HD1 LEU 29 -10.671 7.979 -2.079 143 HD12 LEU 29 2HD1 LEU 29 -9.585 6.615 -2.340 144 HD13 LEU 29 3HD1 LEU 29 -8.933 8.247 -2.200 145 HD21 LEU 29 3HD2 LEU 29 -10.771 6.768 1.308 146 HD22 LEU 29 1HD2 LEU 29 -11.333 6.187 -0.259 147 HD23 LEU 29 2HD2 LEU 29 -11.578 7.873 0.195 148 HA PRO 30 HA PRO 30 -5.443 6.366 4.024 149 HB3 PRO 30 2HB PRO 30 -6.324 8.222 5.055 150 HG3 PRO 30 2HG PRO 30 -8.409 9.054 4.449 151 HD3 PRO 30 2HD PRO 30 -7.436 8.867 2.368 Start of MODEL 3 1 H1 SER 1 H SER 1 -7.430 3.745 2.712 2 HA SER 1 HA SER 1 -7.641 2.032 4.880 3 HB3 SER 1 2HB SER 1 -6.997 1.219 2.035 4 HG SER 1 HG SER 1 -8.560 -0.143 3.961 5 H CYS 2 H CYS 2 -5.132 1.672 2.376 6 HA CYS 2 HA CYS 2 -3.340 0.601 4.443 7 HB3 CYS 2 2HB CYS 2 -2.163 -0.537 2.694 8 H ASN 3 H ASN 3 -1.986 2.058 5.251 9 HA ASN 3 HA ASN 3 -0.511 3.781 3.400 10 HB3 ASN 3 2HB ASN 3 -2.138 5.319 4.138 11 HD21 ASN 3 1HD2 ASN 3 -3.609 6.124 5.588 12 HD22 ASN 3 2HD2 ASN 3 -3.987 5.337 7.079 13 H ASN 4 H ASN 4 0.699 1.633 4.227 14 HA ASN 4 HA ASN 4 2.498 2.563 6.358 15 HB3 ASN 4 2HB ASN 4 1.383 0.907 7.536 16 HD21 ASN 4 1HD2 ASN 4 2.348 -1.577 5.380 17 HD22 ASN 4 2HD2 ASN 4 0.766 -2.094 4.914 18 H SER 5 H SER 5 4.621 1.387 6.318 19 HA SER 5 HA SER 5 5.635 1.409 3.621 20 HB3 SER 5 2HB SER 5 7.833 0.882 4.816 21 HG SER 5 HG SER 5 7.562 2.994 4.423 22 H CYS 6 H CYS 6 6.605 -0.297 2.521 23 HA CYS 6 HA CYS 6 6.887 -2.909 3.569 24 HB3 CYS 6 2HB CYS 6 4.495 -3.042 3.523 25 H GLN 7 H GLN 7 6.844 -4.514 1.467 26 HA GLN 7 HA GLN 7 8.114 -3.158 -0.789 27 HB3 GLN 7 2HB GLN 7 10.012 -3.690 0.564 28 HG3 GLN 7 2HG GLN 7 9.195 -6.575 0.645 29 HE21 GLN 7 1HE2 GLN 7 10.682 -7.860 1.538 30 HE22 GLN 7 2HE2 GLN 7 12.183 -7.324 2.206 31 H SER 8 H SER 8 7.144 -6.301 0.563 32 HA SER 8 HA SER 8 5.971 -6.964 -2.048 33 HB3 SER 8 2HB SER 8 6.704 -9.371 -1.590 34 HG SER 8 HG SER 8 8.628 -9.010 -2.598 35 H HIS 9 H HIS 9 4.222 -5.998 -0.500 36 HA HIS 9 HA HIS 9 2.336 -6.299 0.744 37 HB3 HIS 9 2HB HIS 9 2.405 -9.209 0.007 38 HD1 HIS 9 1HD HIS 9 0.530 -9.588 1.744 39 HD2 HIS 9 2HD HIS 9 -0.368 -6.721 -1.125 40 HE1 HIS 9 1HE HIS 9 -1.938 -9.164 1.967 41 H SER 10 H SER 10 4.905 -6.708 2.070 42 HA SER 10 HA SER 10 4.634 -8.902 3.888 43 HB3 SER 10 2HB SER 10 6.520 -7.698 5.108 44 HG SER 10 HG SER 10 7.065 -9.253 3.602 45 H ASP 11 H ASP 11 3.922 -5.454 3.979 46 HA ASP 11 HA ASP 11 2.661 -5.843 6.614 47 HB3 ASP 11 2HB ASP 11 2.901 -3.234 6.658 48 H CYS 12 H CYS 12 2.236 -4.860 3.338 49 HA CYS 12 HA CYS 12 -0.048 -3.273 3.511 50 HB3 CYS 12 2HB CYS 12 -0.450 -3.848 1.191 51 H ALA 13 H ALA 13 -2.277 -3.864 2.914 52 HA ALA 13 HA ALA 13 -3.049 -6.603 3.587 53 HB1 ALA 13 1HB ALA 13 -4.038 -4.154 5.034 54 HB2 ALA 13 2HB ALA 13 -4.837 -5.726 5.107 55 HB3 ALA 13 3HB ALA 13 -3.192 -5.543 5.715 56 H SER 14 H SER 14 -5.511 -6.846 3.295 57 HA SER 14 HA SER 14 -7.214 -6.931 1.784 58 HB3 SER 14 2HB SER 14 -8.077 -4.680 1.042 59 HG SER 14 HG SER 14 -8.819 -5.409 2.999 60 H HIS 15 H HIS 15 -4.529 -7.318 0.760 61 HA HIS 15 HA HIS 15 -3.478 -7.641 -1.231 62 HB3 HIS 15 2HB HIS 15 -4.818 -7.826 -3.232 63 HD1 HIS 15 1HD HIS 15 -4.423 -9.613 -0.566 64 HD2 HIS 15 2HD HIS 15 -7.931 -9.012 -2.709 65 HE1 HIS 15 1HE HIS 15 -5.882 -11.590 -0.033 66 H CYS 16 H CYS 16 -3.373 -5.062 0.015 67 HA CYS 16 HA CYS 16 -3.581 -3.058 -2.039 68 HB3 CYS 16 2HB CYS 16 -2.199 -1.755 -0.207 69 H ILE 17 H ILE 17 -2.091 -2.514 -3.489 70 HA ILE 17 HA ILE 17 0.210 -3.964 -3.979 71 HB ILE 17 HB ILE 17 0.876 -2.247 -5.521 72 HG13 ILE 17 2HG1 ILE 17 -0.738 -0.528 -3.721 73 HG21 ILE 17 1HG2 ILE 17 -1.472 -3.577 -5.647 74 HG22 ILE 17 2HG2 ILE 17 -2.033 -1.913 -5.809 75 HG23 ILE 17 3HG2 ILE 17 -0.846 -2.556 -6.942 76 HD11 ILE 17 3HD1 ILE 17 1.013 0.877 -3.788 77 HD12 ILE 17 1HD1 ILE 17 1.876 -0.572 -4.301 78 HD13 ILE 17 2HD1 ILE 17 1.318 0.594 -5.501 79 H CYS 18 H CYS 18 2.433 -3.527 -3.707 80 HA CYS 18 HA CYS 18 3.095 -1.577 -1.607 81 HB3 CYS 18 2HB CYS 18 4.898 -3.470 -1.042 82 H THR 19 H THR 19 4.263 -0.098 -2.659 83 HA THR 19 HA THR 19 6.311 -1.015 -4.563 84 HB THR 19 HB THR 19 5.811 1.862 -4.518 85 HG1 THR 19 1HG THR 19 3.700 0.170 -5.409 86 HG21 THR 19 3HG2 THR 19 6.711 -0.097 -6.298 87 HG22 THR 19 1HG2 THR 19 6.494 1.622 -6.628 88 HG23 THR 19 2HG2 THR 19 5.191 0.486 -6.977 89 H PHE 20 H PHE 20 8.068 0.936 -4.693 90 HA PHE 20 HA PHE 20 9.674 0.637 -2.430 91 HB3 PHE 20 2HB PHE 20 10.579 1.219 -4.629 92 HD1 PHE 20 2HD PHE 20 8.973 1.837 -6.348 93 HD2 PHE 20 1HD PHE 20 10.341 4.664 -3.474 94 HE1 PHE 20 2HE PHE 20 8.098 3.669 -7.738 95 HE2 PHE 20 1HE PHE 20 9.468 6.500 -4.860 96 HZ PHE 20 HZ PHE 20 8.344 6.004 -6.994 97 H ARG 21 H ARG 21 7.126 2.861 -3.100 98 HA ARG 21 HA ARG 21 7.907 4.614 -0.894 99 HB3 ARG 21 2HB ARG 21 5.681 5.774 -1.733 100 HG3 ARG 21 2HG ARG 21 7.172 6.647 -3.781 101 HD3 ARG 21 2HD ARG 21 8.370 8.074 -1.967 102 HE ARG 21 HE ARG 21 5.678 8.183 -2.858 103 HH11 ARG 21 1HH1 ARG 21 7.874 9.541 -0.522 104 HH12 ARG 21 2HH1 ARG 21 7.018 11.041 -0.395 105 HH21 ARG 21 1HH2 ARG 21 4.541 10.154 -2.699 106 HH22 ARG 21 2HH2 ARG 21 5.122 11.389 -1.633 107 H GLY 22 H GLY 22 6.897 1.816 -0.577 108 HA2 GLY 22 2HA GLY 22 5.743 0.875 1.224 109 HA3 GLY 22 3HA GLY 22 4.966 2.425 1.505 110 H CYS 23 H CYS 23 3.000 1.201 1.792 111 HA CYS 23 HA CYS 23 1.889 -0.082 -0.571 112 HB3 CYS 23 2HB CYS 23 0.108 -0.820 0.850 113 H GLY 24 H GLY 24 -0.670 0.436 -0.693 114 HA2 GLY 24 2HA GLY 24 -1.418 3.157 -0.320 115 HA3 GLY 24 3HA GLY 24 -0.918 2.873 -1.981 116 H ALA 25 H ALA 25 -3.560 3.560 -0.810 117 HA ALA 25 HA ALA 25 -5.115 1.178 -1.527 118 HB1 ALA 25 1HB ALA 25 -6.625 3.485 -0.581 119 HB2 ALA 25 2HB ALA 25 -6.632 1.813 -0.015 120 HB3 ALA 25 3HB ALA 25 -5.401 2.936 0.564 121 H VAL 26 H VAL 26 -7.079 1.506 -2.836 122 HA VAL 26 HA VAL 26 -6.552 2.585 -5.324 123 HB VAL 26 HB VAL 26 -8.991 2.446 -5.757 124 HG11 VAL 26 1HG1 VAL 26 -7.381 0.468 -5.773 125 HG12 VAL 26 2HG1 VAL 26 -8.108 0.013 -4.230 126 HG13 VAL 26 3HG1 VAL 26 -9.104 0.103 -5.684 127 HG21 VAL 26 3HG2 VAL 26 -9.974 3.139 -3.731 128 HG22 VAL 26 1HG2 VAL 26 -10.367 1.426 -3.877 129 HG23 VAL 26 2HG2 VAL 26 -9.077 1.946 -2.792 130 H ASN 27 H ASN 27 -6.686 4.550 -6.226 131 HA ASN 27 HA ASN 27 -6.922 6.802 -6.438 132 HB3 ASN 27 2HB ASN 27 -9.299 6.527 -4.594 133 HD21 ASN 27 1HD2 ASN 27 -8.360 7.915 -7.724 134 HD22 ASN 27 2HD2 ASN 27 -8.970 9.498 -7.396 135 H GLY 28 H GLY 28 -5.416 5.625 -4.137 136 HA2 GLY 28 2HA GLY 28 -4.308 6.337 -2.255 137 HA3 GLY 28 3HA GLY 28 -4.492 7.942 -2.945 138 H LEU 29 H LEU 29 -6.302 5.502 -1.095 139 HA LEU 29 HA LEU 29 -7.531 7.715 0.413 140 HB3 LEU 29 2HB LEU 29 -9.189 5.505 0.723 141 HG LEU 29 HG LEU 29 -9.697 8.056 0.145 142 HD11 LEU 29 1HD1 LEU 29 -9.932 6.589 -2.470 143 HD12 LEU 29 2HD1 LEU 29 -9.044 8.074 -2.128 144 HD13 LEU 29 3HD1 LEU 29 -10.807 8.079 -2.117 145 HD21 LEU 29 3HD2 LEU 29 -11.671 5.962 -0.700 146 HD22 LEU 29 1HD2 LEU 29 -11.961 7.492 0.128 147 HD23 LEU 29 2HD2 LEU 29 -11.197 6.155 0.988 148 HA PRO 30 HA PRO 30 -6.048 5.945 4.144 149 HB3 PRO 30 2HB PRO 30 -7.094 7.658 5.262 150 HG3 PRO 30 2HG PRO 30 -9.174 8.442 4.582 151 HD3 PRO 30 2HD PRO 30 -8.056 8.486 2.568 Start of MODEL 4 1 H1 SER 1 H SER 1 -7.510 3.185 2.656 2 HA SER 1 HA SER 1 -7.282 0.843 4.119 3 HB3 SER 1 2HB SER 1 -6.858 1.123 1.134 4 HG SER 1 HG SER 1 -8.238 -1.027 2.114 5 H CYS 2 H CYS 2 -4.867 2.483 2.127 6 HA CYS 2 HA CYS 2 -2.834 0.644 3.209 7 HB3 CYS 2 2HB CYS 2 -1.588 0.825 1.190 8 H ASN 3 H ASN 3 -2.014 1.753 4.897 9 HA ASN 3 HA ASN 3 -0.629 4.247 4.299 10 HB3 ASN 3 2HB ASN 3 -2.414 4.044 6.726 11 HD21 ASN 3 1HD2 ASN 3 -3.196 6.789 6.198 12 HD22 ASN 3 2HD2 ASN 3 -1.852 7.772 6.660 13 H ASN 4 H ASN 4 0.896 2.243 4.472 14 HA ASN 4 HA ASN 4 2.234 2.482 7.020 15 HB3 ASN 4 2HB ASN 4 0.487 0.567 7.158 16 HD21 ASN 4 1HD2 ASN 4 -0.340 -0.699 5.629 17 HD22 ASN 4 2HD2 ASN 4 0.539 -1.896 4.746 18 H SER 5 H SER 5 4.222 0.856 6.957 19 HA SER 5 HA SER 5 5.520 1.346 4.376 20 HB3 SER 5 2HB SER 5 7.638 0.936 5.631 21 HG SER 5 HG SER 5 7.488 2.853 6.872 22 H CYS 6 H CYS 6 6.388 -0.257 3.145 23 HA CYS 6 HA CYS 6 6.705 -2.940 4.101 24 HB3 CYS 6 2HB CYS 6 4.309 -3.011 3.778 25 H GLN 7 H GLN 7 7.182 -4.435 2.128 26 HA GLN 7 HA GLN 7 8.565 -2.922 0.027 27 HB3 GLN 7 2HB GLN 7 10.529 -4.318 0.210 28 HG3 GLN 7 2HG GLN 7 9.746 -3.350 2.950 29 HE21 GLN 7 1HE2 GLN 7 11.103 -3.924 4.473 30 HE22 GLN 7 2HE2 GLN 7 12.757 -4.371 4.257 31 H SER 8 H SER 8 7.430 -6.102 1.110 32 HA SER 8 HA SER 8 6.608 -6.671 -1.645 33 HB3 SER 8 2HB SER 8 8.010 -8.723 0.079 34 HG SER 8 HG SER 8 8.216 -9.621 -2.167 35 H HIS 9 H HIS 9 4.679 -5.866 -0.231 36 HA HIS 9 HA HIS 9 2.679 -6.316 0.759 37 HB3 HIS 9 2HB HIS 9 1.876 -8.763 0.364 38 HD1 HIS 9 1HD HIS 9 2.072 -9.126 -2.822 39 HD2 HIS 9 2HD HIS 9 1.190 -5.636 -0.749 40 HE1 HIS 9 1HE HIS 9 0.796 -7.686 -4.443 41 H SER 10 H SER 10 5.050 -6.544 2.388 42 HA SER 10 HA SER 10 4.722 -8.815 4.120 43 HB3 SER 10 2HB SER 10 6.546 -7.918 5.381 44 HG SER 10 HG SER 10 7.800 -8.325 3.760 45 H ASP 11 H ASP 11 4.192 -5.311 4.455 46 HA ASP 11 HA ASP 11 2.627 -5.806 6.881 47 HB3 ASP 11 2HB ASP 11 2.689 -3.292 7.088 48 H CYS 12 H CYS 12 2.331 -4.743 3.578 49 HA CYS 12 HA CYS 12 -0.102 -3.429 3.607 50 HB3 CYS 12 2HB CYS 12 -0.321 -4.052 1.265 51 H ALA 13 H ALA 13 -2.229 -4.029 3.560 52 HA ALA 13 HA ALA 13 -2.928 -6.857 3.548 53 HB1 ALA 13 1HB ALA 13 -3.150 -5.085 5.923 54 HB2 ALA 13 2HB ALA 13 -4.444 -6.246 5.626 55 HB3 ALA 13 3HB ALA 13 -2.784 -6.807 5.824 56 H SER 14 H SER 14 -5.336 -7.156 3.554 57 HA SER 14 HA SER 14 -7.349 -6.788 2.563 58 HB3 SER 14 2HB SER 14 -8.257 -4.432 2.742 59 HG SER 14 HG SER 14 -7.109 -5.559 5.083 60 H HIS 15 H HIS 15 -5.553 -7.215 0.709 61 HA HIS 15 HA HIS 15 -4.917 -6.859 -1.451 62 HB3 HIS 15 2HB HIS 15 -7.420 -5.211 -1.747 63 HD1 HIS 15 1HD HIS 15 -5.869 -8.264 -3.420 64 HD2 HIS 15 2HD HIS 15 -7.309 -4.476 -4.341 65 HE1 HIS 15 1HE HIS 15 -5.700 -8.070 -5.921 66 H CYS 16 H CYS 16 -3.455 -5.266 0.011 67 HA CYS 16 HA CYS 16 -3.660 -2.576 -1.164 68 HB3 CYS 16 2HB CYS 16 -1.801 -2.284 0.785 69 H ILE 17 H ILE 17 -2.343 -2.204 -2.808 70 HA ILE 17 HA ILE 17 -0.209 -3.918 -3.528 71 HB ILE 17 HB ILE 17 -1.403 -2.621 -5.209 72 HG13 ILE 17 2HG1 ILE 17 1.521 -1.878 -4.961 73 HG21 ILE 17 1HG2 ILE 17 -1.758 -0.415 -5.110 74 HG22 ILE 17 2HG2 ILE 17 -1.238 -0.546 -3.431 75 HG23 ILE 17 3HG2 ILE 17 -0.083 -0.073 -4.677 76 HD11 ILE 17 3HD1 ILE 17 0.262 -4.363 -5.527 77 HD12 ILE 17 1HD1 ILE 17 1.057 -3.779 -6.988 78 HD13 ILE 17 2HD1 ILE 17 1.981 -3.968 -5.496 79 H CYS 18 H CYS 18 1.835 -3.961 -2.874 80 HA CYS 18 HA CYS 18 2.844 -1.694 -1.296 81 HB3 CYS 18 2HB CYS 18 4.626 -3.597 -0.730 82 H THR 19 H THR 19 4.588 -0.576 -1.939 83 HA THR 19 HA THR 19 6.289 -1.665 -4.060 84 HB THR 19 HB THR 19 6.231 0.421 -5.331 85 HG1 THR 19 1HG THR 19 4.726 2.039 -4.757 86 HG21 THR 19 3HG2 THR 19 3.576 -0.900 -4.812 87 HG22 THR 19 1HG2 THR 19 4.707 -1.202 -6.131 88 HG23 THR 19 2HG2 THR 19 3.802 0.311 -6.074 89 H PHE 20 H PHE 20 7.998 0.309 -4.523 90 HA PHE 20 HA PHE 20 9.710 0.322 -2.336 91 HB3 PHE 20 2HB PHE 20 10.651 0.741 -4.469 92 HD1 PHE 20 1HD PHE 20 9.165 4.097 -3.938 93 HD2 PHE 20 2HD PHE 20 9.556 0.739 -6.524 94 HE1 PHE 20 1HE PHE 20 8.022 5.344 -5.724 95 HE2 PHE 20 2HE PHE 20 8.414 1.982 -8.314 96 HZ PHE 20 HZ PHE 20 7.646 4.287 -7.916 97 H ARG 21 H ARG 21 7.060 2.413 -3.102 98 HA ARG 21 HA ARG 21 7.845 4.323 -1.024 99 HB3 ARG 21 2HB ARG 21 7.170 5.385 -3.052 100 HG3 ARG 21 2HG ARG 21 4.911 3.456 -3.002 101 HD3 ARG 21 2HD ARG 21 3.754 5.583 -2.956 102 HE ARG 21 HE ARG 21 5.814 6.494 -4.744 103 HH11 ARG 21 1HH1 ARG 21 2.550 6.993 -3.639 104 HH12 ARG 21 2HH1 ARG 21 2.511 8.663 -4.098 105 HH21 ARG 21 1HH2 ARG 21 5.774 8.692 -5.354 106 HH22 ARG 21 2HH2 ARG 21 4.345 9.629 -5.075 107 H GLY 22 H GLY 22 6.894 1.576 -0.467 108 HA2 GLY 22 2HA GLY 22 5.694 0.688 1.304 109 HA3 GLY 22 3HA GLY 22 5.002 2.278 1.590 110 H CYS 23 H CYS 23 2.988 1.159 1.956 111 HA CYS 23 HA CYS 23 1.739 -0.087 -0.361 112 HB3 CYS 23 2HB CYS 23 -0.001 -0.775 1.121 113 H GLY 24 H GLY 24 0.106 0.778 -1.545 114 HA2 GLY 24 2HA GLY 24 -0.851 3.459 -0.754 115 HA3 GLY 24 3HA GLY 24 -0.343 3.118 -2.402 116 H ALA 25 H ALA 25 -2.964 3.949 -1.168 117 HA ALA 25 HA ALA 25 -4.624 1.714 -2.127 118 HB1 ALA 25 1HB ALA 25 -6.361 3.419 -0.877 119 HB2 ALA 25 2HB ALA 25 -5.614 2.001 -0.141 120 HB3 ALA 25 3HB ALA 25 -4.897 3.595 0.091 121 H VAL 26 H VAL 26 -6.513 2.223 -3.392 122 HA VAL 26 HA VAL 26 -6.034 3.852 -5.581 123 HB VAL 26 HB VAL 26 -8.439 3.635 -6.105 124 HG11 VAL 26 1HG1 VAL 26 -6.656 1.392 -5.461 125 HG12 VAL 26 2HG1 VAL 26 -8.360 0.966 -5.636 126 HG13 VAL 26 3HG1 VAL 26 -7.510 1.772 -6.955 127 HG21 VAL 26 3HG2 VAL 26 -9.616 3.795 -4.124 128 HG22 VAL 26 1HG2 VAL 26 -9.687 2.062 -4.445 129 HG23 VAL 26 2HG2 VAL 26 -8.534 2.695 -3.270 130 H ASN 27 H ASN 27 -6.167 5.969 -5.945 131 HA ASN 27 HA ASN 27 -6.565 8.190 -5.660 132 HB3 ASN 27 2HB ASN 27 -8.762 8.859 -4.806 133 HD21 ASN 27 1HD2 ASN 27 -7.907 8.614 -7.254 134 HD22 ASN 27 2HD2 ASN 27 -8.995 7.712 -8.247 135 H GLY 28 H GLY 28 -5.228 6.472 -3.517 136 HA2 GLY 28 2HA GLY 28 -4.197 6.843 -1.501 137 HA3 GLY 28 3HA GLY 28 -4.522 8.549 -1.770 138 H LEU 29 H LEU 29 -6.146 5.558 -0.732 139 HA LEU 29 HA LEU 29 -7.760 7.192 1.112 140 HB3 LEU 29 2HB LEU 29 -9.105 4.884 1.076 141 HG LEU 29 HG LEU 29 -9.466 7.360 -0.363 142 HD11 LEU 29 1HD1 LEU 29 -11.248 5.936 -1.838 143 HD12 LEU 29 2HD1 LEU 29 -9.842 4.873 -1.865 144 HD13 LEU 29 3HD1 LEU 29 -9.700 6.536 -2.432 145 HD21 LEU 29 3HD2 LEU 29 -11.927 6.378 0.005 146 HD22 LEU 29 1HD2 LEU 29 -10.987 7.124 1.298 147 HD23 LEU 29 2HD2 LEU 29 -11.043 5.367 1.151 148 HA PRO 30 HA PRO 30 -6.009 5.170 4.591 149 HB3 PRO 30 2HB PRO 30 -7.349 6.497 5.905 150 HG3 PRO 30 2HG PRO 30 -9.524 7.014 5.264 151 HD3 PRO 30 2HD PRO 30 -8.400 7.547 3.322 Start of MODEL 5 1 H1 SER 1 H SER 1 -7.373 4.323 2.878 2 HA SER 1 HA SER 1 -7.651 2.459 4.879 3 HB3 SER 1 2HB SER 1 -6.926 1.467 2.156 4 HG SER 1 HG SER 1 -9.351 0.836 3.220 5 H CYS 2 H CYS 2 -5.029 2.445 2.456 6 HA CYS 2 HA CYS 2 -3.389 0.929 4.371 7 HB3 CYS 2 2HB CYS 2 -2.035 0.304 2.346 8 H ASN 3 H ASN 3 -1.905 2.073 5.405 9 HA ASN 3 HA ASN 3 -0.336 4.051 3.942 10 HB3 ASN 3 2HB ASN 3 -0.762 5.849 5.362 11 HD21 ASN 3 1HD2 ASN 3 -3.462 4.825 6.946 12 HD22 ASN 3 2HD2 ASN 3 -4.656 5.231 5.763 13 H ASN 4 H ASN 4 0.677 1.680 4.513 14 HA ASN 4 HA ASN 4 2.498 2.226 6.753 15 HB3 ASN 4 2HB ASN 4 1.246 0.575 7.775 16 HD21 ASN 4 1HD2 ASN 4 1.919 -1.772 5.370 17 HD22 ASN 4 2HD2 ASN 4 0.289 -2.063 4.880 18 H SER 5 H SER 5 4.599 1.338 6.542 19 HA SER 5 HA SER 5 5.551 1.281 3.851 20 HB3 SER 5 2HB SER 5 7.766 0.940 4.865 21 HG SER 5 HG SER 5 7.826 2.894 5.762 22 H CYS 6 H CYS 6 6.682 -0.434 2.813 23 HA CYS 6 HA CYS 6 6.804 -3.066 3.838 24 HB3 CYS 6 2HB CYS 6 4.432 -3.164 3.595 25 H GLN 7 H GLN 7 7.044 -4.667 1.830 26 HA GLN 7 HA GLN 7 8.483 -3.309 -0.333 27 HB3 GLN 7 2HB GLN 7 10.197 -5.253 -0.101 28 HG3 GLN 7 2HG GLN 7 11.464 -4.016 1.709 29 HE21 GLN 7 1HE2 GLN 7 12.879 -2.431 1.003 30 HE22 GLN 7 2HE2 GLN 7 12.833 -1.797 -0.603 31 H SER 8 H SER 8 7.243 -6.397 0.902 32 HA SER 8 HA SER 8 6.281 -7.013 -1.797 33 HB3 SER 8 2HB SER 8 7.181 -9.197 -1.830 34 HG SER 8 HG SER 8 9.454 -8.404 -0.682 35 H HIS 9 H HIS 9 4.406 -6.133 -0.426 36 HA HIS 9 HA HIS 9 2.450 -6.469 0.698 37 HB3 HIS 9 2HB HIS 9 2.576 -9.388 0.064 38 HD1 HIS 9 1HD HIS 9 0.271 -7.068 -1.684 39 HD2 HIS 9 2HD HIS 9 0.256 -9.484 1.696 40 HE1 HIS 9 1HE HIS 9 -2.139 -7.233 -0.986 41 H SER 10 H SER 10 4.927 -6.798 2.202 42 HA SER 10 HA SER 10 4.575 -8.982 4.025 43 HB3 SER 10 2HB SER 10 6.346 -7.688 5.357 44 HG SER 10 HG SER 10 7.224 -9.226 4.136 45 H ASP 11 H ASP 11 3.830 -5.538 4.035 46 HA ASP 11 HA ASP 11 2.394 -5.916 6.581 47 HB3 ASP 11 2HB ASP 11 2.601 -3.291 6.580 48 H CYS 12 H CYS 12 2.171 -4.997 3.272 49 HA CYS 12 HA CYS 12 -0.190 -3.467 3.339 50 HB3 CYS 12 2HB CYS 12 -0.336 -3.868 0.968 51 H ALA 13 H ALA 13 -2.314 -4.148 2.479 52 HA ALA 13 HA ALA 13 -3.046 -6.916 2.591 53 HB1 ALA 13 1HB ALA 13 -3.041 -6.733 4.918 54 HB2 ALA 13 2HB ALA 13 -3.718 -5.105 4.884 55 HB3 ALA 13 3HB ALA 13 -4.731 -6.489 4.477 56 H SER 14 H SER 14 -5.447 -7.189 2.325 57 HA SER 14 HA SER 14 -7.328 -6.800 1.106 58 HB3 SER 14 2HB SER 14 -8.151 -4.364 1.142 59 HG SER 14 HG SER 14 -7.860 -4.788 3.756 60 H HIS 15 H HIS 15 -5.161 -7.153 -0.450 61 HA HIS 15 HA HIS 15 -4.264 -6.787 -2.513 62 HB3 HIS 15 2HB HIS 15 -5.812 -6.153 -4.254 63 HD1 HIS 15 1HD HIS 15 -5.354 -8.819 -2.623 64 HD2 HIS 15 2HD HIS 15 -9.033 -7.098 -3.496 65 HE1 HIS 15 1HE HIS 15 -7.020 -10.699 -2.510 66 H CYS 16 H CYS 16 -3.128 -5.079 -0.909 67 HA CYS 16 HA CYS 16 -3.353 -2.426 -2.165 68 HB3 CYS 16 2HB CYS 16 -1.859 -1.911 0.004 69 H ILE 17 H ILE 17 -1.858 -2.059 -3.655 70 HA ILE 17 HA ILE 17 0.411 -3.592 -4.125 71 HB ILE 17 HB ILE 17 -0.003 -0.693 -4.865 72 HG13 ILE 17 2HG1 ILE 17 -0.862 -1.559 -6.987 73 HG21 ILE 17 1HG2 ILE 17 2.069 -2.693 -5.526 74 HG22 ILE 17 2HG2 ILE 17 1.480 -1.695 -6.855 75 HG23 ILE 17 3HG2 ILE 17 2.178 -0.935 -5.424 76 HD11 ILE 17 3HD1 ILE 17 -1.465 -3.912 -7.240 77 HD12 ILE 17 1HD1 ILE 17 0.281 -3.689 -7.128 78 HD13 ILE 17 2HD1 ILE 17 -0.623 -4.285 -5.735 79 H CYS 18 H CYS 18 2.506 -3.511 -3.487 80 HA CYS 18 HA CYS 18 3.188 -1.522 -1.421 81 HB3 CYS 18 2HB CYS 18 4.960 -3.461 -0.905 82 H THR 19 H THR 19 5.020 -0.356 -1.638 83 HA THR 19 HA THR 19 7.016 -1.121 -3.617 84 HB THR 19 HB THR 19 6.972 1.329 -4.461 85 HG1 THR 19 1HG THR 19 4.214 1.183 -3.930 86 HG21 THR 19 3HG2 THR 19 4.631 -0.340 -5.337 87 HG22 THR 19 1HG2 THR 19 6.291 -0.824 -5.683 88 HG23 THR 19 2HG2 THR 19 5.669 0.703 -6.311 89 H PHE 20 H PHE 20 8.751 0.776 -3.658 90 HA PHE 20 HA PHE 20 9.995 0.798 -1.174 91 HB3 PHE 20 2HB PHE 20 11.081 1.234 -3.401 92 HD1 PHE 20 2HD PHE 20 9.365 2.031 -5.066 93 HD2 PHE 20 1HD PHE 20 11.318 4.642 -2.331 94 HE1 PHE 20 2HE PHE 20 8.752 3.956 -6.471 95 HE2 PHE 20 1HE PHE 20 10.707 6.572 -3.730 96 HZ PHE 20 HZ PHE 20 9.422 6.230 -5.802 97 H ARG 21 H ARG 21 7.561 2.891 -2.465 98 HA ARG 21 HA ARG 21 7.950 4.851 -0.332 99 HB3 ARG 21 2HB ARG 21 7.588 5.788 -2.521 100 HG3 ARG 21 2HG ARG 21 5.832 3.657 -2.941 101 HD3 ARG 21 2HD ARG 21 4.043 5.041 -1.971 102 HE ARG 21 HE ARG 21 4.288 7.277 -2.439 103 HH11 ARG 21 1HH1 ARG 21 4.414 5.442 -5.395 104 HH12 ARG 21 2HH1 ARG 21 4.340 6.839 -6.418 105 HH21 ARG 21 1HH2 ARG 21 4.191 9.123 -3.775 106 HH22 ARG 21 2HH2 ARG 21 4.214 8.932 -5.495 107 H GLY 22 H GLY 22 7.014 2.139 0.239 108 HA2 GLY 22 2HA GLY 22 5.552 1.272 1.808 109 HA3 GLY 22 3HA GLY 22 4.787 2.851 1.910 110 H CYS 23 H CYS 23 3.018 1.004 2.070 111 HA CYS 23 HA CYS 23 2.123 -0.114 -0.394 112 HB3 CYS 23 2HB CYS 23 0.167 -0.822 0.840 113 H GLY 24 H GLY 24 -0.491 0.339 -0.681 114 HA2 GLY 24 2HA GLY 24 -1.108 3.159 -0.629 115 HA3 GLY 24 3HA GLY 24 -0.768 2.539 -2.237 116 H ALA 25 H ALA 25 -3.257 3.617 -1.014 117 HA ALA 25 HA ALA 25 -4.994 1.257 -1.287 118 HB1 ALA 25 1HB ALA 25 -4.956 3.214 0.669 119 HB2 ALA 25 2HB ALA 25 -6.321 3.658 -0.354 120 HB3 ALA 25 3HB ALA 25 -6.249 2.052 0.371 121 H VAL 26 H VAL 26 -7.081 1.611 -2.384 122 HA VAL 26 HA VAL 26 -6.770 2.538 -4.985 123 HB VAL 26 HB VAL 26 -9.248 2.424 -5.158 124 HG11 VAL 26 1HG1 VAL 26 -9.182 0.177 -5.318 125 HG12 VAL 26 2HG1 VAL 26 -7.472 0.398 -4.942 126 HG13 VAL 26 3HG1 VAL 26 -8.610 -0.029 -3.664 127 HG21 VAL 26 3HG2 VAL 26 -9.925 3.220 -3.011 128 HG22 VAL 26 1HG2 VAL 26 -10.475 1.552 -3.158 129 HG23 VAL 26 2HG2 VAL 26 -9.048 1.927 -2.192 130 H ASN 27 H ASN 27 -6.945 4.464 -5.951 131 HA ASN 27 HA ASN 27 -7.226 6.698 -6.266 132 HB3 ASN 27 2HB ASN 27 -9.207 7.737 -5.414 133 HD21 ASN 27 1HD2 ASN 27 -10.810 5.096 -4.358 134 HD22 ASN 27 2HD2 ASN 27 -11.373 4.467 -5.865 135 H GLY 28 H GLY 28 -5.578 5.515 -3.952 136 HA2 GLY 28 2HA GLY 28 -4.164 6.332 -2.340 137 HA3 GLY 28 3HA GLY 28 -4.410 7.906 -3.082 138 H LEU 29 H LEU 29 -6.230 5.611 -1.045 139 HA LEU 29 HA LEU 29 -7.134 7.919 0.548 140 HB3 LEU 29 2HB LEU 29 -8.925 6.086 1.237 141 HG LEU 29 HG LEU 29 -8.968 8.053 -0.941 142 HD11 LEU 29 1HD1 LEU 29 -10.912 5.750 -0.925 143 HD12 LEU 29 2HD1 LEU 29 -9.766 6.152 -2.202 144 HD13 LEU 29 3HD1 LEU 29 -11.106 7.241 -1.847 145 HD21 LEU 29 3HD2 LEU 29 -11.272 8.381 0.165 146 HD22 LEU 29 1HD2 LEU 29 -9.828 8.783 1.093 147 HD23 LEU 29 2HD2 LEU 29 -10.673 7.266 1.394 148 HA PRO 30 HA PRO 30 -5.196 6.266 4.122 149 HB3 PRO 30 2HB PRO 30 -5.902 8.147 5.236 150 HG3 PRO 30 2HG PRO 30 -7.983 9.089 4.801 151 HD3 PRO 30 2HD PRO 30 -7.183 8.884 2.649 Start of MODEL 6 1 H1 SER 1 H SER 1 -7.146 3.662 2.944 2 HA SER 1 HA SER 1 -7.106 2.020 5.182 3 HB3 SER 1 2HB SER 1 -7.160 1.426 2.231 4 HG SER 1 HG SER 1 -7.643 -0.553 4.170 5 H CYS 2 H CYS 2 -4.910 1.728 2.384 6 HA CYS 2 HA CYS 2 -2.935 0.477 4.161 7 HB3 CYS 2 2HB CYS 2 -1.918 -0.443 2.162 8 H ASN 3 H ASN 3 -2.091 2.368 5.075 9 HA ASN 3 HA ASN 3 -0.468 3.985 3.223 10 HB3 ASN 3 2HB ASN 3 -0.775 5.801 5.075 11 HD21 ASN 3 1HD2 ASN 3 -2.043 7.548 4.468 12 HD22 ASN 3 2HD2 ASN 3 -2.978 7.546 3.016 13 H ASN 4 H ASN 4 0.614 1.738 4.268 14 HA ASN 4 HA ASN 4 2.438 2.783 6.331 15 HB3 ASN 4 2HB ASN 4 1.253 1.172 7.530 16 HD21 ASN 4 1HD2 ASN 4 2.419 -1.272 5.363 17 HD22 ASN 4 2HD2 ASN 4 0.873 -1.901 4.915 18 H SER 5 H SER 5 4.436 1.153 6.416 19 HA SER 5 HA SER 5 5.550 1.227 3.721 20 HB3 SER 5 2HB SER 5 7.710 0.997 4.777 21 HG SER 5 HG SER 5 7.565 2.760 6.311 22 H CYS 6 H CYS 6 6.728 -0.562 2.840 23 HA CYS 6 HA CYS 6 6.705 -3.148 3.980 24 HB3 CYS 6 2HB CYS 6 4.372 -3.253 3.603 25 H GLN 7 H GLN 7 6.901 -4.823 1.953 26 HA GLN 7 HA GLN 7 8.543 -3.610 -0.138 27 HB3 GLN 7 2HB GLN 7 9.589 -6.040 1.271 28 HG3 GLN 7 2HG GLN 7 11.172 -3.803 0.071 29 HE21 GLN 7 1HE2 GLN 7 12.822 -5.476 -1.366 30 HE22 GLN 7 2HE2 GLN 7 13.735 -6.455 -0.274 31 H SER 8 H SER 8 7.248 -6.656 1.161 32 HA SER 8 HA SER 8 6.472 -7.389 -1.580 33 HB3 SER 8 2HB SER 8 7.073 -9.714 -1.156 34 HG SER 8 HG SER 8 9.266 -8.107 -0.362 35 H HIS 9 H HIS 9 4.566 -6.212 -0.375 36 HA HIS 9 HA HIS 9 2.481 -6.324 0.540 37 HB3 HIS 9 2HB HIS 9 2.367 -9.252 -0.052 38 HD1 HIS 9 1HD HIS 9 0.194 -8.830 1.504 39 HD2 HIS 9 2HD HIS 9 0.204 -6.986 -2.219 40 HE1 HIS 9 1HE HIS 9 -2.200 -8.204 1.057 41 H SER 10 H SER 10 4.751 -6.883 2.291 42 HA SER 10 HA SER 10 4.009 -8.987 4.083 43 HB3 SER 10 2HB SER 10 5.863 -8.312 5.404 44 HG SER 10 HG SER 10 6.578 -9.069 3.413 45 H ASP 11 H ASP 11 3.992 -5.433 4.383 46 HA ASP 11 HA ASP 11 2.259 -5.623 6.714 47 HB3 ASP 11 2HB ASP 11 2.600 -3.224 6.934 48 H CYS 12 H CYS 12 2.033 -5.081 3.335 49 HA CYS 12 HA CYS 12 -0.329 -3.524 3.269 50 HB3 CYS 12 2HB CYS 12 -0.431 -4.058 0.935 51 H ALA 13 H ALA 13 -2.408 -4.348 2.309 52 HA ALA 13 HA ALA 13 -3.139 -7.073 2.577 53 HB1 ALA 13 1HB ALA 13 -3.766 -5.244 4.871 54 HB2 ALA 13 2HB ALA 13 -4.766 -6.651 4.508 55 HB3 ALA 13 3HB ALA 13 -3.060 -6.860 4.903 56 H SER 14 H SER 14 -5.551 -7.357 2.398 57 HA SER 14 HA SER 14 -7.474 -6.990 1.239 58 HB3 SER 14 2HB SER 14 -8.371 -4.628 1.301 59 HG SER 14 HG SER 14 -7.547 -5.085 3.894 60 H HIS 15 H HIS 15 -5.473 -7.441 -0.428 61 HA HIS 15 HA HIS 15 -4.650 -7.126 -2.530 62 HB3 HIS 15 2HB HIS 15 -6.261 -6.303 -4.191 63 HD1 HIS 15 1HD HIS 15 -5.796 -8.977 -2.206 64 HD2 HIS 15 2HD HIS 15 -9.264 -7.507 -3.960 65 HE1 HIS 15 1HE HIS 15 -7.372 -10.933 -2.320 66 H CYS 16 H CYS 16 -3.334 -5.479 -1.020 67 HA CYS 16 HA CYS 16 -3.434 -2.858 -2.363 68 HB3 CYS 16 2HB CYS 16 -2.057 -2.216 -0.194 69 H ILE 17 H ILE 17 -1.685 -2.218 -3.460 70 HA ILE 17 HA ILE 17 0.460 -4.014 -3.924 71 HB ILE 17 HB ILE 17 1.284 -2.479 -5.469 72 HG13 ILE 17 2HG1 ILE 17 0.709 -0.048 -5.414 73 HG21 ILE 17 1HG2 ILE 17 -0.496 -2.294 -6.826 74 HG22 ILE 17 2HG2 ILE 17 -1.353 -3.110 -5.520 75 HG23 ILE 17 3HG2 ILE 17 -1.419 -1.353 -5.653 76 HD11 ILE 17 3HD1 ILE 17 -1.342 -0.210 -4.044 77 HD12 ILE 17 1HD1 ILE 17 -0.337 -0.607 -2.650 78 HD13 ILE 17 2HD1 ILE 17 -0.176 0.964 -3.435 79 H CYS 18 H CYS 18 2.801 -3.045 -3.864 80 HA CYS 18 HA CYS 18 3.345 -1.483 -1.481 81 HB3 CYS 18 2HB CYS 18 5.081 -3.439 -0.915 82 H THR 19 H THR 19 4.898 -0.101 -1.985 83 HA THR 19 HA THR 19 7.035 -0.958 -3.814 84 HB THR 19 HB THR 19 7.024 1.212 -4.926 85 HG1 THR 19 1HG THR 19 4.841 1.729 -3.177 86 HG21 THR 19 3HG2 THR 19 4.644 1.047 -5.936 87 HG22 THR 19 1HG2 THR 19 4.480 -0.375 -4.907 88 HG23 THR 19 2HG2 THR 19 5.746 -0.315 -6.132 89 H PHE 20 H PHE 20 8.651 1.147 -3.861 90 HA PHE 20 HA PHE 20 10.000 1.072 -1.425 91 HB3 PHE 20 2HB PHE 20 11.245 1.673 -3.351 92 HD1 PHE 20 1HD PHE 20 9.661 4.978 -2.893 93 HD2 PHE 20 2HD PHE 20 10.348 1.704 -5.524 94 HE1 PHE 20 1HE PHE 20 8.752 6.295 -4.763 95 HE2 PHE 20 2HE PHE 20 9.441 3.014 -7.398 96 HZ PHE 20 HZ PHE 20 8.641 5.313 -7.019 97 H ARG 21 H ARG 21 7.364 3.044 -2.462 98 HA ARG 21 HA ARG 21 7.720 4.894 -0.221 99 HB3 ARG 21 2HB ARG 21 5.486 5.788 -1.422 100 HG3 ARG 21 2HG ARG 21 8.085 6.351 -2.790 101 HD3 ARG 21 2HD ARG 21 5.677 7.979 -2.000 102 HE ARG 21 HE ARG 21 8.258 8.980 -2.321 103 HH11 ARG 21 1HH1 ARG 21 5.068 9.484 -3.621 104 HH12 ARG 21 2HH1 ARG 21 5.337 11.158 -3.981 105 HH21 ARG 21 1HH2 ARG 21 8.625 11.182 -2.789 106 HH22 ARG 21 2HH2 ARG 21 7.361 12.122 -3.507 107 H GLY 22 H GLY 22 6.834 2.002 -0.066 108 HA2 GLY 22 2HA GLY 22 5.531 0.969 1.573 109 HA3 GLY 22 3HA GLY 22 4.666 2.482 1.805 110 H CYS 23 H CYS 23 2.831 0.909 1.881 111 HA CYS 23 HA CYS 23 2.007 -0.278 -0.612 112 HB3 CYS 23 2HB CYS 23 0.113 -1.105 0.594 113 H GLY 24 H GLY 24 -0.672 0.154 -0.762 114 HA2 GLY 24 2HA GLY 24 -1.333 2.945 -0.661 115 HA3 GLY 24 3HA GLY 24 -0.957 2.407 -2.291 116 H ALA 25 H ALA 25 -3.488 3.295 -0.828 117 HA ALA 25 HA ALA 25 -5.158 0.924 -1.229 118 HB1 ALA 25 1HB ALA 25 -6.559 3.319 -0.384 119 HB2 ALA 25 2HB ALA 25 -6.473 1.730 0.379 120 HB3 ALA 25 3HB ALA 25 -5.209 2.924 0.681 121 H VAL 26 H VAL 26 -7.262 1.239 -2.346 122 HA VAL 26 HA VAL 26 -6.900 2.130 -4.971 123 HB VAL 26 HB VAL 26 -9.315 1.818 -5.263 124 HG11 VAL 26 1HG1 VAL 26 -7.534 -0.097 -4.908 125 HG12 VAL 26 2HG1 VAL 26 -8.532 -0.442 -3.493 126 HG13 VAL 26 3HG1 VAL 26 -9.247 -0.462 -5.105 127 HG21 VAL 26 3HG2 VAL 26 -10.471 0.880 -3.095 128 HG22 VAL 26 1HG2 VAL 26 -9.271 1.888 -2.286 129 HG23 VAL 26 2HG2 VAL 26 -10.416 2.613 -3.414 130 H ASN 27 H ASN 27 -7.182 4.032 -5.967 131 HA ASN 27 HA ASN 27 -7.574 6.246 -6.303 132 HB3 ASN 27 2HB ASN 27 -9.689 6.124 -4.162 133 HD21 ASN 27 1HD2 ASN 27 -11.735 6.969 -5.724 134 HD22 ASN 27 2HD2 ASN 27 -11.418 8.563 -6.312 135 H GLY 28 H GLY 28 -5.766 5.276 -4.124 136 HA2 GLY 28 2HA GLY 28 -4.485 6.147 -2.427 137 HA3 GLY 28 3HA GLY 28 -4.802 7.694 -3.199 138 H LEU 29 H LEU 29 -6.251 5.347 -0.959 139 HA LEU 29 HA LEU 29 -7.323 7.623 0.568 140 HB3 LEU 29 2HB LEU 29 -9.033 5.502 1.088 141 HG LEU 29 HG LEU 29 -9.631 7.956 0.669 142 HD11 LEU 29 1HD1 LEU 29 -8.809 8.340 -1.500 143 HD12 LEU 29 2HD1 LEU 29 -10.562 8.280 -1.669 144 HD13 LEU 29 3HD1 LEU 29 -9.583 6.891 -2.140 145 HD21 LEU 29 3HD2 LEU 29 -11.884 7.409 0.359 146 HD22 LEU 29 1HD2 LEU 29 -11.185 5.967 1.095 147 HD23 LEU 29 2HD2 LEU 29 -11.500 6.005 -0.639 148 HA PRO 30 HA PRO 30 -5.543 5.843 4.161 149 HB3 PRO 30 2HB PRO 30 -6.402 7.612 5.350 150 HG3 PRO 30 2HG PRO 30 -8.509 8.471 4.867 151 HD3 PRO 30 2HD PRO 30 -7.597 8.443 2.749 Start of MODEL 7 1 H1 SER 1 H SER 1 -6.817 3.860 2.356 2 HA SER 1 HA SER 1 -7.569 2.225 4.484 3 HB3 SER 1 2HB SER 1 -6.849 1.099 1.787 4 HG SER 1 HG SER 1 -8.408 -0.316 2.264 5 H CYS 2 H CYS 2 -4.686 2.048 2.411 6 HA CYS 2 HA CYS 2 -3.373 0.474 4.520 7 HB3 CYS 2 2HB CYS 2 -2.172 -0.769 2.694 8 H ASN 3 H ASN 3 -1.489 1.287 5.170 9 HA ASN 3 HA ASN 3 0.300 2.654 3.396 10 HB3 ASN 3 2HB ASN 3 -0.932 4.273 5.634 11 HD21 ASN 3 1HD2 ASN 3 1.331 4.675 6.173 12 HD22 ASN 3 2HD2 ASN 3 2.199 5.865 5.271 13 H ASN 4 H ASN 4 1.863 1.228 4.062 14 HA ASN 4 HA ASN 4 2.890 1.668 6.771 15 HB3 ASN 4 2HB ASN 4 3.251 -0.696 7.143 16 HD21 ASN 4 1HD2 ASN 4 0.643 -1.740 5.419 17 HD22 ASN 4 2HD2 ASN 4 -0.606 -1.405 6.565 18 H SER 5 H SER 5 5.043 0.020 6.754 19 HA SER 5 HA SER 5 6.719 1.279 4.728 20 HB3 SER 5 2HB SER 5 7.853 -0.533 6.812 21 HG SER 5 HG SER 5 9.112 1.689 6.802 22 H CYS 6 H CYS 6 4.856 -1.251 4.564 23 HA CYS 6 HA CYS 6 6.326 -3.521 4.037 24 HB3 CYS 6 2HB CYS 6 3.879 -3.494 4.056 25 H GLN 7 H GLN 7 7.650 -4.205 2.459 26 HA GLN 7 HA GLN 7 8.151 -2.359 0.225 27 HB3 GLN 7 2HB GLN 7 10.319 -3.841 0.103 28 HG3 GLN 7 2HG GLN 7 11.392 -2.448 1.927 29 HE21 GLN 7 1HE2 GLN 7 12.417 -2.187 -0.121 30 HE22 GLN 7 2HE2 GLN 7 12.037 -0.831 -1.121 31 H SER 8 H SER 8 7.279 -5.611 1.073 32 HA SER 8 HA SER 8 6.737 -6.169 -1.746 33 HB3 SER 8 2HB SER 8 8.265 -8.061 0.059 34 HG SER 8 HG SER 8 8.023 -9.514 -1.476 35 H HIS 9 H HIS 9 4.693 -5.510 -0.361 36 HA HIS 9 HA HIS 9 2.661 -6.119 0.462 37 HB3 HIS 9 2HB HIS 9 3.225 -8.936 -0.427 38 HD1 HIS 9 1HD HIS 9 0.560 -6.490 -1.516 39 HD2 HIS 9 2HD HIS 9 0.955 -9.972 0.715 40 HE1 HIS 9 1HE HIS 9 -1.789 -7.231 -1.004 41 H SER 10 H SER 10 4.859 -6.208 2.265 42 HA SER 10 HA SER 10 4.643 -8.587 3.868 43 HB3 SER 10 2HB SER 10 6.074 -5.956 4.224 44 HG SER 10 HG SER 10 5.946 -8.147 6.025 45 H ASP 11 H ASP 11 4.234 -5.212 4.908 46 HA ASP 11 HA ASP 11 2.399 -5.978 6.969 47 HB3 ASP 11 2HB ASP 11 2.156 -3.315 6.966 48 H CYS 12 H CYS 12 2.123 -4.973 3.686 49 HA CYS 12 HA CYS 12 -0.435 -3.840 3.681 50 HB3 CYS 12 2HB CYS 12 -0.473 -4.297 1.308 51 H ALA 13 H ALA 13 -2.410 -4.835 2.733 52 HA ALA 13 HA ALA 13 -2.816 -7.625 2.710 53 HB1 ALA 13 1HB ALA 13 -2.606 -7.722 5.029 54 HB2 ALA 13 2HB ALA 13 -3.466 -6.200 5.266 55 HB3 ALA 13 3HB ALA 13 -4.349 -7.642 4.768 56 H SER 14 H SER 14 -5.151 -8.189 2.543 57 HA SER 14 HA SER 14 -7.207 -7.901 1.613 58 HB3 SER 14 2HB SER 14 -7.091 -4.978 2.322 59 HG SER 14 HG SER 14 -9.278 -6.576 2.880 60 H HIS 15 H HIS 15 -5.302 -7.982 -0.213 61 HA HIS 15 HA HIS 15 -4.667 -7.382 -2.319 62 HB3 HIS 15 2HB HIS 15 -6.570 -6.279 -3.671 63 HD1 HIS 15 1HD HIS 15 -6.434 -9.305 -1.418 64 HD2 HIS 15 2HD HIS 15 -7.815 -8.209 -5.180 65 HE1 HIS 15 1HE HIS 15 -7.127 -11.451 -2.531 66 H CYS 16 H CYS 16 -3.557 -5.706 -0.549 67 HA CYS 16 HA CYS 16 -3.953 -3.010 -1.665 68 HB3 CYS 16 2HB CYS 16 -2.510 -2.445 0.481 69 H ILE 17 H ILE 17 -2.525 -2.561 -3.203 70 HA ILE 17 HA ILE 17 -0.144 -3.924 -3.695 71 HB ILE 17 HB ILE 17 -0.826 -1.088 -4.483 72 HG13 ILE 17 2HG1 ILE 17 -1.612 -2.083 -6.586 73 HG21 ILE 17 1HG2 ILE 17 0.728 -2.075 -6.473 74 HG22 ILE 17 2HG2 ILE 17 1.326 -1.097 -5.134 75 HG23 ILE 17 3HG2 ILE 17 1.447 -2.855 -5.064 76 HD11 ILE 17 3HD1 ILE 17 -2.013 -4.477 -6.774 77 HD12 ILE 17 1HD1 ILE 17 -0.291 -4.117 -6.657 78 HD13 ILE 17 2HD1 ILE 17 -1.158 -4.741 -5.254 79 H CYS 18 H CYS 18 1.963 -3.613 -3.140 80 HA CYS 18 HA CYS 18 2.530 -1.474 -1.194 81 HB3 CYS 18 2HB CYS 18 4.331 -3.306 -0.449 82 H THR 19 H THR 19 3.744 -0.036 -2.243 83 HA THR 19 HA THR 19 5.872 -1.017 -4.024 84 HB THR 19 HB THR 19 5.368 1.854 -4.128 85 HG1 THR 19 1HG THR 19 3.279 0.140 -5.028 86 HG21 THR 19 3HG2 THR 19 6.316 -0.186 -5.788 87 HG22 THR 19 1HG2 THR 19 6.111 1.515 -6.204 88 HG23 THR 19 2HG2 THR 19 4.817 0.363 -6.538 89 H PHE 20 H PHE 20 7.590 0.999 -4.166 90 HA PHE 20 HA PHE 20 9.149 0.777 -1.867 91 HB3 PHE 20 2HB PHE 20 10.244 1.359 -3.889 92 HD1 PHE 20 1HD PHE 20 8.895 4.730 -3.196 93 HD2 PHE 20 2HD PHE 20 9.174 1.516 -5.973 94 HE1 PHE 20 1HE PHE 20 7.898 6.154 -4.937 95 HE2 PHE 20 2HE PHE 20 8.179 2.935 -7.719 96 HZ PHE 20 HZ PHE 20 7.538 5.257 -7.202 97 H ARG 21 H ARG 21 6.548 2.918 -2.610 98 HA ARG 21 HA ARG 21 7.222 4.722 -0.413 99 HB3 ARG 21 2HB ARG 21 4.870 5.671 -1.315 100 HG3 ARG 21 2HG ARG 21 7.361 6.153 -2.918 101 HD3 ARG 21 2HD ARG 21 5.057 7.909 -2.081 102 HE ARG 21 HE ARG 21 7.628 8.652 -3.091 103 HH11 ARG 21 1HH1 ARG 21 4.238 9.444 -3.130 104 HH12 ARG 21 2HH1 ARG 21 4.499 11.114 -3.514 105 HH21 ARG 21 1HH2 ARG 21 7.985 10.848 -3.596 106 HH22 ARG 21 2HH2 ARG 21 6.630 11.910 -3.779 107 H GLY 22 H GLY 22 6.278 1.850 -0.151 108 HA2 GLY 22 2HA GLY 22 5.184 0.863 1.668 109 HA3 GLY 22 3HA GLY 22 4.373 2.391 1.980 110 H CYS 23 H CYS 23 2.499 0.954 2.295 111 HA CYS 23 HA CYS 23 1.378 -0.311 -0.046 112 HB3 CYS 23 2HB CYS 23 -0.407 -1.021 1.394 113 H GLY 24 H GLY 24 -1.015 0.157 -0.526 114 HA2 GLY 24 2HA GLY 24 -1.851 2.900 -0.138 115 HA3 GLY 24 3HA GLY 24 -1.360 2.524 -1.783 116 H ALA 25 H ALA 25 -3.899 3.381 -1.332 117 HA ALA 25 HA ALA 25 -5.479 0.926 -1.739 118 HB1 ALA 25 1HB ALA 25 -6.764 3.385 -0.646 119 HB2 ALA 25 2HB ALA 25 -7.221 1.692 -0.452 120 HB3 ALA 25 3HB ALA 25 -5.840 2.339 0.435 121 H VAL 26 H VAL 26 -7.766 1.754 -2.696 122 HA VAL 26 HA VAL 26 -7.303 2.427 -5.346 123 HB VAL 26 HB VAL 26 -9.735 2.920 -5.491 124 HG11 VAL 26 1HG1 VAL 26 -8.603 0.448 -4.327 125 HG12 VAL 26 2HG1 VAL 26 -10.361 0.598 -4.328 126 HG13 VAL 26 3HG1 VAL 26 -9.465 0.697 -5.845 127 HG21 VAL 26 3HG2 VAL 26 -9.566 2.623 -2.501 128 HG22 VAL 26 1HG2 VAL 26 -10.187 3.990 -3.426 129 HG23 VAL 26 2HG2 VAL 26 -11.075 2.467 -3.400 130 H ASN 27 H ASN 27 -6.894 4.269 -6.378 131 HA ASN 27 HA ASN 27 -6.568 6.478 -6.810 132 HB3 ASN 27 2HB ASN 27 -8.795 6.988 -4.832 133 HD21 ASN 27 1HD2 ASN 27 -8.894 9.080 -4.504 134 HD22 ASN 27 2HD2 ASN 27 -8.597 10.314 -5.676 135 H GLY 28 H GLY 28 -5.208 5.151 -4.530 136 HA2 GLY 28 2HA GLY 28 -3.759 5.704 -2.837 137 HA3 GLY 28 3HA GLY 28 -3.700 7.292 -3.587 138 H LEU 29 H LEU 29 -5.748 5.316 -1.452 139 HA LEU 29 HA LEU 29 -6.313 7.763 0.088 140 HB3 LEU 29 2HB LEU 29 -8.421 6.021 0.578 141 HG LEU 29 HG LEU 29 -8.381 8.604 0.038 142 HD11 LEU 29 1HD1 LEU 29 -9.008 7.305 -2.597 143 HD12 LEU 29 2HD1 LEU 29 -7.836 8.576 -2.251 144 HD13 LEU 29 3HD1 LEU 29 -9.563 8.926 -2.182 145 HD21 LEU 29 3HD2 LEU 29 -10.687 8.577 0.184 146 HD22 LEU 29 1HD2 LEU 29 -10.258 7.003 0.856 147 HD23 LEU 29 2HD2 LEU 29 -10.838 7.123 -0.805 148 HA PRO 30 HA PRO 30 -4.985 5.674 3.711 149 HB3 PRO 30 2HB PRO 30 -5.491 7.584 4.885 150 HG3 PRO 30 2HG PRO 30 -7.376 8.844 4.368 151 HD3 PRO 30 2HD PRO 30 -6.456 8.628 2.267 Start of MODEL 8 1 H1 SER 1 H SER 1 -6.985 3.742 2.553 2 HA SER 1 HA SER 1 -7.471 2.081 4.691 3 HB3 SER 1 2HB SER 1 -6.717 1.442 1.839 4 HG SER 1 HG SER 1 -6.496 -0.546 2.451 5 H CYS 2 H CYS 2 -4.440 2.877 3.221 6 HA CYS 2 HA CYS 2 -3.084 1.113 5.142 7 HB3 CYS 2 2HB CYS 2 -1.284 0.827 3.361 8 H ASN 3 H ASN 3 -1.574 2.095 6.335 9 HA ASN 3 HA ASN 3 -0.414 4.613 5.368 10 HB3 ASN 3 2HB ASN 3 -2.254 5.197 6.885 11 HD21 ASN 3 1HD2 ASN 3 -0.705 5.314 9.675 12 HD22 ASN 3 2HD2 ASN 3 -1.406 3.969 10.501 13 H ASN 4 H ASN 4 0.537 1.805 5.635 14 HA ASN 4 HA ASN 4 2.713 2.215 7.575 15 HB3 ASN 4 2HB ASN 4 1.745 0.215 8.220 16 HD21 ASN 4 1HD2 ASN 4 2.434 -1.329 5.233 17 HD22 ASN 4 2HD2 ASN 4 0.805 -1.711 4.801 18 H SER 5 H SER 5 4.688 0.708 6.799 19 HA SER 5 HA SER 5 5.253 1.436 3.999 20 HB3 SER 5 2HB SER 5 7.382 2.220 4.536 21 HG SER 5 HG SER 5 7.015 3.354 6.706 22 H CYS 6 H CYS 6 5.565 -0.298 2.789 23 HA CYS 6 HA CYS 6 7.025 -2.581 3.914 24 HB3 CYS 6 2HB CYS 6 4.836 -3.402 4.079 25 H GLN 7 H GLN 7 7.800 -4.086 2.196 26 HA GLN 7 HA GLN 7 8.676 -2.524 -0.128 27 HB3 GLN 7 2HB GLN 7 10.484 -4.154 -0.336 28 HG3 GLN 7 2HG GLN 7 10.579 -2.256 1.416 29 HE21 GLN 7 1HE2 GLN 7 10.997 -5.495 2.811 30 HE22 GLN 7 2HE2 GLN 7 10.367 -5.091 4.368 31 H SER 8 H SER 8 7.754 -5.888 0.625 32 HA SER 8 HA SER 8 6.302 -5.983 -1.923 33 HB3 SER 8 2HB SER 8 8.358 -7.982 -0.969 34 HG SER 8 HG SER 8 7.487 -8.794 -3.242 35 H HIS 9 H HIS 9 4.437 -5.745 -0.571 36 HA HIS 9 HA HIS 9 2.675 -6.472 0.680 37 HB3 HIS 9 2HB HIS 9 3.337 -9.307 0.014 38 HD1 HIS 9 1HD HIS 9 0.551 -6.963 -1.063 39 HD2 HIS 9 2HD HIS 9 1.153 -10.372 1.235 40 HE1 HIS 9 1HE HIS 9 -1.744 -7.721 -0.370 41 H SER 10 H SER 10 5.263 -6.284 2.011 42 HA SER 10 HA SER 10 5.557 -8.488 3.797 43 HB3 SER 10 2HB SER 10 6.954 -6.728 5.102 44 HG SER 10 HG SER 10 8.133 -6.805 2.669 45 H ASP 11 H ASP 11 3.965 -5.343 3.978 46 HA ASP 11 HA ASP 11 2.461 -6.302 6.299 47 HB3 ASP 11 2HB ASP 11 2.708 -3.789 7.107 48 H CYS 12 H CYS 12 1.926 -5.857 3.410 49 HA CYS 12 HA CYS 12 0.036 -3.634 3.442 50 HB3 CYS 12 2HB CYS 12 -0.129 -3.919 1.074 51 H ALA 13 H ALA 13 -2.178 -3.882 2.950 52 HA ALA 13 HA ALA 13 -3.382 -6.463 2.680 53 HB1 ALA 13 1HB ALA 13 -3.185 -5.220 5.354 54 HB2 ALA 13 2HB ALA 13 -4.746 -5.912 4.914 55 HB3 ALA 13 3HB ALA 13 -3.299 -6.919 4.896 56 H SER 14 H SER 14 -5.870 -6.228 2.993 57 HA SER 14 HA SER 14 -7.773 -5.326 2.125 58 HB3 SER 14 2HB SER 14 -8.193 -2.929 2.747 59 HG SER 14 HG SER 14 -8.248 -4.885 4.256 60 H HIS 15 H HIS 15 -6.076 -5.777 0.140 61 HA HIS 15 HA HIS 15 -5.567 -5.244 -2.012 62 HB3 HIS 15 2HB HIS 15 -7.425 -2.890 -1.848 63 HD1 HIS 15 1HD HIS 15 -5.094 -3.983 -3.953 64 HD2 HIS 15 2HD HIS 15 -9.228 -3.967 -4.367 65 HE1 HIS 15 1HE HIS 15 -5.521 -4.056 -6.430 66 H CYS 16 H CYS 16 -3.508 -4.567 -0.834 67 HA CYS 16 HA CYS 16 -2.875 -1.825 -1.655 68 HB3 CYS 16 2HB CYS 16 -1.334 -1.883 0.496 69 H ILE 17 H ILE 17 -1.018 -1.663 -2.753 70 HA ILE 17 HA ILE 17 0.731 -4.031 -2.825 71 HB ILE 17 HB ILE 17 -0.396 -3.404 -4.969 72 HG13 ILE 17 2HG1 ILE 17 2.625 -3.209 -4.901 73 HG21 ILE 17 1HG2 ILE 17 -0.229 -1.373 -5.916 74 HG22 ILE 17 2HG2 ILE 17 0.173 -0.845 -4.283 75 HG23 ILE 17 3HG2 ILE 17 1.460 -1.178 -5.444 76 HD11 ILE 17 3HD1 ILE 17 0.927 -5.379 -4.287 77 HD12 ILE 17 1HD1 ILE 17 1.667 -5.703 -5.855 78 HD13 ILE 17 2HD1 ILE 17 2.683 -5.367 -4.453 79 H CYS 18 H CYS 18 2.924 -3.814 -2.590 80 HA CYS 18 HA CYS 18 3.865 -1.157 -1.733 81 HB3 CYS 18 2HB CYS 18 5.339 -2.195 -0.204 82 H THR 19 H THR 19 5.224 -0.197 -3.076 83 HA THR 19 HA THR 19 7.021 -1.869 -4.706 84 HB THR 19 HB THR 19 5.555 0.628 -5.574 85 HG1 THR 19 1HG THR 19 5.467 -2.105 -6.361 86 HG21 THR 19 3HG2 THR 19 7.755 -0.925 -6.935 87 HG22 THR 19 1HG2 THR 19 7.773 0.775 -6.466 88 HG23 THR 19 2HG2 THR 19 6.711 0.229 -7.764 89 H PHE 20 H PHE 20 6.704 1.649 -4.419 90 HA PHE 20 HA PHE 20 9.421 1.724 -3.281 91 HB3 PHE 20 2HB PHE 20 9.234 2.457 -5.701 92 HD1 PHE 20 2HD PHE 20 6.836 2.759 -6.381 93 HD2 PHE 20 1HD PHE 20 9.036 5.761 -4.314 94 HE1 PHE 20 2HE PHE 20 5.197 4.449 -7.096 95 HE2 PHE 20 1HE PHE 20 7.399 7.455 -5.027 96 HZ PHE 20 HZ PHE 20 5.477 6.800 -6.421 97 H ARG 21 H ARG 21 6.226 3.169 -3.400 98 HA ARG 21 HA ARG 21 6.902 4.951 -1.178 99 HB3 ARG 21 2HB ARG 21 5.740 5.994 -3.033 100 HG3 ARG 21 2HG ARG 21 4.336 3.642 -3.300 101 HD3 ARG 21 2HD ARG 21 2.111 5.479 -3.001 102 HE ARG 21 HE ARG 21 2.057 2.993 -1.576 103 HH11 ARG 21 1HH1 ARG 21 1.848 4.469 -4.722 104 HH12 ARG 21 2HH1 ARG 21 0.929 3.174 -5.413 105 HH21 ARG 21 1HH2 ARG 21 0.846 1.281 -2.475 106 HH22 ARG 21 2HH2 ARG 21 0.358 1.361 -4.134 107 H GLY 22 H GLY 22 6.652 2.051 -0.846 108 HA2 GLY 22 2HA GLY 22 5.846 0.649 0.791 109 HA3 GLY 22 3HA GLY 22 5.071 2.048 1.518 110 H CYS 23 H CYS 23 3.325 0.548 2.000 111 HA CYS 23 HA CYS 23 1.784 -0.525 -0.186 112 HB3 CYS 23 2HB CYS 23 0.347 -1.445 1.485 113 H GLY 24 H GLY 24 -0.021 0.299 -1.100 114 HA2 GLY 24 2HA GLY 24 -1.241 2.682 0.114 115 HA3 GLY 24 3HA GLY 24 -0.682 2.765 -1.551 116 H ALA 25 H ALA 25 -3.362 3.178 -0.646 117 HA ALA 25 HA ALA 25 -4.791 0.787 -1.539 118 HB1 ALA 25 1HB ALA 25 -6.455 3.064 -0.865 119 HB2 ALA 25 2HB ALA 25 -6.446 1.433 -0.195 120 HB3 ALA 25 3HB ALA 25 -5.333 2.650 0.431 121 H VAL 26 H VAL 26 -6.875 1.405 -2.859 122 HA VAL 26 HA VAL 26 -6.011 2.258 -5.399 123 HB VAL 26 HB VAL 26 -8.423 2.226 -6.015 124 HG11 VAL 26 1HG1 VAL 26 -8.633 -0.112 -5.924 125 HG12 VAL 26 2HG1 VAL 26 -6.893 0.188 -5.901 126 HG13 VAL 26 3HG1 VAL 26 -7.740 -0.218 -4.409 127 HG21 VAL 26 3HG2 VAL 26 -8.741 2.503 -3.195 128 HG22 VAL 26 1HG2 VAL 26 -9.975 2.523 -4.455 129 HG23 VAL 26 2HG2 VAL 26 -9.503 0.997 -3.706 130 H ASN 27 H ASN 27 -6.103 4.174 -6.441 131 HA ASN 27 HA ASN 27 -6.234 6.424 -6.753 132 HB3 ASN 27 2HB ASN 27 -8.314 7.541 -5.820 133 HD21 ASN 27 1HD2 ASN 27 -10.100 4.852 -6.259 134 HD22 ASN 27 2HD2 ASN 27 -10.259 4.875 -7.979 135 H GLY 28 H GLY 28 -4.877 5.257 -4.323 136 HA2 GLY 28 2HA GLY 28 -3.751 6.020 -2.472 137 HA3 GLY 28 3HA GLY 28 -3.867 7.604 -3.226 138 H LEU 29 H LEU 29 -5.672 5.306 -1.217 139 HA LEU 29 HA LEU 29 -6.879 7.614 0.156 140 HB3 LEU 29 2HB LEU 29 -8.630 5.471 0.498 141 HG LEU 29 HG LEU 29 -8.940 8.080 -0.251 142 HD11 LEU 29 1HD1 LEU 29 -8.572 7.771 -2.564 143 HD12 LEU 29 2HD1 LEU 29 -10.319 7.903 -2.359 144 HD13 LEU 29 3HD1 LEU 29 -9.578 6.323 -2.607 145 HD21 LEU 29 3HD2 LEU 29 -10.454 6.221 0.891 146 HD22 LEU 29 1HD2 LEU 29 -11.234 6.251 -0.691 147 HD23 LEU 29 2HD2 LEU 29 -11.126 7.729 0.267 148 HA PRO 30 HA PRO 30 -5.511 5.891 3.953 149 HB3 PRO 30 2HB PRO 30 -6.460 7.700 5.003 150 HG3 PRO 30 2HG PRO 30 -8.487 8.581 4.280 151 HD3 PRO 30 2HD PRO 30 -7.356 8.489 2.274 Start of MODEL 9 1 H1 SER 1 H SER 1 -6.540 3.852 2.714 2 HA SER 1 HA SER 1 -7.145 2.439 5.145 3 HB3 SER 1 2HB SER 1 -6.577 1.128 2.494 4 HG SER 1 HG SER 1 -8.628 0.054 3.489 5 H CYS 2 H CYS 2 -4.699 1.796 2.629 6 HA CYS 2 HA CYS 2 -2.966 0.668 4.715 7 HB3 CYS 2 2HB CYS 2 -1.860 -0.571 2.987 8 H ASN 3 H ASN 3 -1.696 2.226 5.526 9 HA ASN 3 HA ASN 3 -0.046 3.746 3.633 10 HB3 ASN 3 2HB ASN 3 -1.059 5.036 6.152 11 HD21 ASN 3 1HD2 ASN 3 -0.157 6.942 6.411 12 HD22 ASN 3 2HD2 ASN 3 0.642 7.865 5.189 13 H ASN 4 H ASN 4 1.285 1.798 4.352 14 HA ASN 4 HA ASN 4 2.930 2.636 6.630 15 HB3 ASN 4 2HB ASN 4 1.354 0.788 7.312 16 HD21 ASN 4 1HD2 ASN 4 0.164 -0.642 6.270 17 HD22 ASN 4 2HD2 ASN 4 0.762 -1.924 5.277 18 H SER 5 H SER 5 4.870 0.793 6.620 19 HA SER 5 HA SER 5 6.077 1.152 3.973 20 HB3 SER 5 2HB SER 5 7.517 2.072 5.574 21 HG SER 5 HG SER 5 8.072 0.583 7.458 22 H CYS 6 H CYS 6 6.149 -0.516 2.638 23 HA CYS 6 HA CYS 6 6.629 -3.197 3.689 24 HB3 CYS 6 2HB CYS 6 4.231 -3.167 3.576 25 H GLN 7 H GLN 7 7.027 -4.770 1.857 26 HA GLN 7 HA GLN 7 8.250 -3.412 -0.448 27 HB3 GLN 7 2HB GLN 7 10.083 -5.097 -0.358 28 HG3 GLN 7 2HG GLN 7 9.840 -3.523 2.195 29 HE21 GLN 7 1HE2 GLN 7 11.962 -2.786 2.940 30 HE22 GLN 7 2HE2 GLN 7 13.312 -3.851 2.774 31 H SER 8 H SER 8 6.947 -6.428 0.858 32 HA SER 8 HA SER 8 5.945 -7.081 -1.814 33 HB3 SER 8 2HB SER 8 7.283 -9.162 -0.075 34 HG SER 8 HG SER 8 6.091 -10.228 -1.506 35 H HIS 9 H HIS 9 4.179 -6.066 -0.303 36 HA HIS 9 HA HIS 9 2.233 -6.321 0.850 37 HB3 HIS 9 2HB HIS 9 2.175 -9.233 0.180 38 HD1 HIS 9 1HD HIS 9 -0.085 -7.031 -1.654 39 HD2 HIS 9 2HD HIS 9 -0.053 -8.945 2.034 40 HE1 HIS 9 1HE HIS 9 -2.470 -6.993 -0.856 41 H SER 10 H SER 10 4.759 -6.849 2.252 42 HA SER 10 HA SER 10 4.325 -9.023 4.061 43 HB3 SER 10 2HB SER 10 6.191 -7.699 5.361 44 HG SER 10 HG SER 10 7.327 -9.179 4.421 45 H ASP 11 H ASP 11 3.670 -5.580 4.071 46 HA ASP 11 HA ASP 11 2.401 -5.874 6.715 47 HB3 ASP 11 2HB ASP 11 2.647 -3.220 6.550 48 H CYS 12 H CYS 12 2.005 -4.948 3.408 49 HA CYS 12 HA CYS 12 -0.399 -3.469 3.680 50 HB3 CYS 12 2HB CYS 12 -0.585 -3.630 1.297 51 H ALA 13 H ALA 13 -2.496 -4.204 2.705 52 HA ALA 13 HA ALA 13 -3.098 -6.995 2.638 53 HB1 ALA 13 1HB ALA 13 -3.085 -7.043 4.956 54 HB2 ALA 13 2HB ALA 13 -3.762 -5.419 5.095 55 HB3 ALA 13 3HB ALA 13 -4.786 -6.761 4.582 56 H SER 14 H SER 14 -5.461 -7.377 2.337 57 HA SER 14 HA SER 14 -7.417 -6.967 1.250 58 HB3 SER 14 2HB SER 14 -7.112 -4.030 1.829 59 HG SER 14 HG SER 14 -9.449 -4.633 2.404 60 H HIS 15 H HIS 15 -5.363 -7.266 -0.412 61 HA HIS 15 HA HIS 15 -4.535 -6.814 -2.488 62 HB3 HIS 15 2HB HIS 15 -6.260 -5.666 -4.033 63 HD1 HIS 15 1HD HIS 15 -6.105 -8.648 -1.807 64 HD2 HIS 15 2HD HIS 15 -7.857 -7.537 -5.406 65 HE1 HIS 15 1HE HIS 15 -6.923 -10.788 -2.846 66 H CYS 16 H CYS 16 -3.485 -5.104 -0.693 67 HA CYS 16 HA CYS 16 -3.673 -2.431 -1.898 68 HB3 CYS 16 2HB CYS 16 -2.151 -1.987 0.258 69 H ILE 17 H ILE 17 -2.215 -2.034 -3.418 70 HA ILE 17 HA ILE 17 0.029 -3.528 -4.019 71 HB ILE 17 HB ILE 17 -0.301 -0.569 -4.524 72 HG13 ILE 17 2HG1 ILE 17 -1.238 -1.276 -6.705 73 HG21 ILE 17 1HG2 ILE 17 1.579 -2.647 -5.528 74 HG22 ILE 17 2HG2 ILE 17 1.065 -1.365 -6.623 75 HG23 ILE 17 3HG2 ILE 17 1.878 -0.960 -5.112 76 HD11 ILE 17 3HD1 ILE 17 -2.093 -3.900 -5.985 77 HD12 ILE 17 1HD1 ILE 17 -1.236 -3.362 -7.428 78 HD13 ILE 17 2HD1 ILE 17 -0.331 -3.830 -5.988 79 H CYS 18 H CYS 18 2.226 -3.335 -3.603 80 HA CYS 18 HA CYS 18 2.985 -1.527 -1.408 81 HB3 CYS 18 2HB CYS 18 4.630 -3.577 -0.906 82 H THR 19 H THR 19 4.641 -0.263 -1.905 83 HA THR 19 HA THR 19 6.688 -1.231 -3.768 84 HB THR 19 HB THR 19 6.725 0.918 -4.960 85 HG1 THR 19 1HG THR 19 4.585 1.485 -3.194 86 HG21 THR 19 3HG2 THR 19 4.172 -0.664 -4.938 87 HG22 THR 19 1HG2 THR 19 5.490 -0.707 -6.108 88 HG23 THR 19 2HG2 THR 19 4.405 0.683 -6.051 89 H PHE 20 H PHE 20 8.375 0.792 -3.932 90 HA PHE 20 HA PHE 20 9.698 0.835 -1.473 91 HB3 PHE 20 2HB PHE 20 10.721 1.246 -3.739 92 HD1 PHE 20 2HD PHE 20 8.921 2.019 -5.345 93 HD2 PHE 20 1HD PHE 20 11.000 4.663 -2.738 94 HE1 PHE 20 2HE PHE 20 8.257 3.923 -6.755 95 HE2 PHE 20 1HE PHE 20 10.340 6.572 -4.143 96 HZ PHE 20 HZ PHE 20 8.966 6.204 -6.153 97 H ARG 21 H ARG 21 7.145 2.799 -2.674 98 HA ARG 21 HA ARG 21 7.599 4.879 -0.674 99 HB3 ARG 21 2HB ARG 21 5.328 5.664 -1.854 100 HG3 ARG 21 2HG ARG 21 7.582 6.070 -3.679 101 HD3 ARG 21 2HD ARG 21 6.330 8.177 -1.989 102 HE ARG 21 HE ARG 21 7.741 8.152 -4.430 103 HH11 ARG 21 1HH1 ARG 21 5.045 9.702 -2.867 104 HH12 ARG 21 2HH1 ARG 21 5.188 11.166 -3.781 105 HH21 ARG 21 1HH2 ARG 21 7.940 10.074 -5.642 106 HH22 ARG 21 2HH2 ARG 21 6.834 11.376 -5.361 107 H GLY 22 H GLY 22 6.716 2.041 -0.110 108 HA2 GLY 22 2HA GLY 22 5.454 1.151 1.617 109 HA3 GLY 22 3HA GLY 22 4.739 2.736 1.865 110 H CYS 23 H CYS 23 2.918 1.023 2.194 111 HA CYS 23 HA CYS 23 1.721 -0.141 -0.091 112 HB3 CYS 23 2HB CYS 23 -0.196 -0.555 1.341 113 H GLY 24 H GLY 24 -0.825 0.487 -0.318 114 HA2 GLY 24 2HA GLY 24 -1.541 3.203 -0.241 115 HA3 GLY 24 3HA GLY 24 -0.848 2.860 -1.820 116 H ALA 25 H ALA 25 -3.677 3.299 -0.442 117 HA ALA 25 HA ALA 25 -5.136 0.995 -1.365 118 HB1 ALA 25 1HB ALA 25 -6.964 1.898 -0.336 119 HB2 ALA 25 2HB ALA 25 -5.681 2.705 0.568 120 HB3 ALA 25 3HB ALA 25 -6.511 3.555 -0.736 121 H VAL 26 H VAL 26 -7.288 1.732 -2.652 122 HA VAL 26 HA VAL 26 -6.283 2.602 -5.235 123 HB VAL 26 HB VAL 26 -8.430 1.897 -6.128 124 HG11 VAL 26 1HG1 VAL 26 -6.648 0.190 -4.639 125 HG12 VAL 26 2HG1 VAL 26 -8.278 -0.486 -4.686 126 HG13 VAL 26 3HG1 VAL 26 -7.440 -0.093 -6.188 127 HG21 VAL 26 3HG2 VAL 26 -10.109 2.401 -4.662 128 HG22 VAL 26 1HG2 VAL 26 -9.930 0.681 -4.321 129 HG23 VAL 26 2HG2 VAL 26 -9.189 1.872 -3.253 130 H ASN 27 H ASN 27 -6.934 4.402 -6.349 131 HA ASN 27 HA ASN 27 -7.678 6.524 -6.684 132 HB3 ASN 27 2HB ASN 27 -9.892 6.059 -4.710 133 HD21 ASN 27 1HD2 ASN 27 -9.235 6.867 -8.106 134 HD22 ASN 27 2HD2 ASN 27 -10.202 8.297 -8.128 135 H GLY 28 H GLY 28 -5.815 5.923 -4.498 136 HA2 GLY 28 2HA GLY 28 -4.799 6.985 -2.732 137 HA3 GLY 28 3HA GLY 28 -5.490 8.452 -3.409 138 H LEU 29 H LEU 29 -6.166 5.731 -1.251 139 HA LEU 29 HA LEU 29 -7.844 7.533 0.349 140 HB3 LEU 29 2HB LEU 29 -8.501 4.708 -0.465 141 HG LEU 29 HG LEU 29 -9.188 5.630 1.987 142 HD11 LEU 29 1HD1 LEU 29 -11.292 6.605 2.037 143 HD12 LEU 29 2HD1 LEU 29 -11.644 6.171 0.364 144 HD13 LEU 29 3HD1 LEU 29 -10.491 7.457 0.718 145 HD21 LEU 29 3HD2 LEU 29 -11.323 4.085 1.446 146 HD22 LEU 29 1HD2 LEU 29 -9.703 3.449 1.733 147 HD23 LEU 29 2HD2 LEU 29 -10.284 3.666 0.082 148 HA PRO 30 HA PRO 30 -5.290 6.103 3.649 149 HB3 PRO 30 2HB PRO 30 -5.907 8.024 4.747 150 HG3 PRO 30 2HG PRO 30 -8.031 8.932 4.476 151 HD3 PRO 30 2HD PRO 30 -7.439 8.643 2.268 Start of MODEL 10 1 H1 SER 1 H SER 1 -6.956 3.744 2.754 2 HA SER 1 HA SER 1 -7.301 2.481 5.318 3 HB3 SER 1 2HB SER 1 -7.288 1.275 2.539 4 HG SER 1 HG SER 1 -8.788 -0.137 4.073 5 H CYS 2 H CYS 2 -4.859 2.560 2.797 6 HA CYS 2 HA CYS 2 -3.096 0.974 4.545 7 HB3 CYS 2 2HB CYS 2 -1.996 0.104 2.508 8 H ASN 3 H ASN 3 -2.160 2.788 5.482 9 HA ASN 3 HA ASN 3 -0.603 4.501 3.658 10 HB3 ASN 3 2HB ASN 3 -2.426 5.577 5.099 11 HD21 ASN 3 1HD2 ASN 3 -0.695 7.105 7.148 12 HD22 ASN 3 2HD2 ASN 3 -0.940 6.208 8.605 13 H ASN 4 H ASN 4 0.104 1.867 4.850 14 HA ASN 4 HA ASN 4 2.353 2.658 6.567 15 HB3 ASN 4 2HB ASN 4 0.889 0.948 7.520 16 HD21 ASN 4 1HD2 ASN 4 1.041 -1.687 7.437 17 HD22 ASN 4 2HD2 ASN 4 0.356 -2.320 5.983 18 H SER 5 H SER 5 4.423 1.563 6.217 19 HA SER 5 HA SER 5 5.088 1.548 3.400 20 HB3 SER 5 2HB SER 5 7.446 1.133 4.357 21 HG SER 5 HG SER 5 7.090 3.425 5.479 22 H CYS 6 H CYS 6 6.384 -0.168 2.434 23 HA CYS 6 HA CYS 6 6.618 -2.733 3.594 24 HB3 CYS 6 2HB CYS 6 4.270 -2.982 3.403 25 H GLN 7 H GLN 7 7.006 -4.431 1.757 26 HA GLN 7 HA GLN 7 8.389 -3.119 -0.485 27 HB3 GLN 7 2HB GLN 7 9.992 -5.222 -0.159 28 HG3 GLN 7 2HG GLN 7 10.229 -2.760 1.557 29 HE21 GLN 7 1HE2 GLN 7 11.149 -4.559 2.991 30 HE22 GLN 7 2HE2 GLN 7 12.836 -4.878 2.802 31 H SER 8 H SER 8 7.203 -6.237 0.755 32 HA SER 8 HA SER 8 6.174 -6.828 -1.926 33 HB3 SER 8 2HB SER 8 7.111 -8.978 -2.021 34 HG SER 8 HG SER 8 8.749 -7.427 -2.293 35 H HIS 9 H HIS 9 4.356 -5.936 -0.432 36 HA HIS 9 HA HIS 9 2.408 -6.298 0.688 37 HB3 HIS 9 2HB HIS 9 2.524 -9.216 0.069 38 HD1 HIS 9 1HD HIS 9 0.474 -9.172 1.756 39 HD2 HIS 9 2HD HIS 9 -0.042 -7.003 -1.750 40 HE1 HIS 9 1HE HIS 9 -1.997 -8.738 1.592 41 H SER 10 H SER 10 4.979 -6.702 2.096 42 HA SER 10 HA SER 10 4.573 -8.845 3.964 43 HB3 SER 10 2HB SER 10 6.463 -6.502 4.247 44 HG SER 10 HG SER 10 7.655 -8.047 5.437 45 H ASP 11 H ASP 11 3.905 -5.412 3.857 46 HA ASP 11 HA ASP 11 2.709 -5.601 6.544 47 HB3 ASP 11 2HB ASP 11 3.239 -3.350 6.955 48 H CYS 12 H CYS 12 2.215 -4.833 3.211 49 HA CYS 12 HA CYS 12 -0.157 -3.322 3.431 50 HB3 CYS 12 2HB CYS 12 -0.467 -3.757 1.085 51 H ALA 13 H ALA 13 -2.330 -4.037 2.792 52 HA ALA 13 HA ALA 13 -3.010 -6.816 2.963 53 HB1 ALA 13 1HB ALA 13 -4.482 -6.498 4.994 54 HB2 ALA 13 2HB ALA 13 -2.745 -6.555 5.297 55 HB3 ALA 13 3HB ALA 13 -3.589 -5.007 5.296 56 H SER 14 H SER 14 -5.379 -7.154 2.819 57 HA SER 14 HA SER 14 -7.394 -6.771 1.837 58 HB3 SER 14 2HB SER 14 -6.908 -3.828 2.327 59 HG SER 14 HG SER 14 -8.927 -3.689 1.800 60 H HIS 15 H HIS 15 -5.449 -7.211 0.071 61 HA HIS 15 HA HIS 15 -4.747 -6.902 -2.076 62 HB3 HIS 15 2HB HIS 15 -6.570 -5.794 -3.565 63 HD1 HIS 15 1HD HIS 15 -6.032 -8.729 -1.401 64 HD2 HIS 15 2HD HIS 15 -8.426 -7.699 -4.637 65 HE1 HIS 15 1HE HIS 15 -6.938 -10.902 -2.286 66 H CYS 16 H CYS 16 -3.561 -5.103 -0.472 67 HA CYS 16 HA CYS 16 -3.781 -2.519 -1.858 68 HB3 CYS 16 2HB CYS 16 -2.209 -1.890 0.192 69 H ILE 17 H ILE 17 -2.378 -2.290 -3.464 70 HA ILE 17 HA ILE 17 -0.156 -3.853 -3.983 71 HB ILE 17 HB ILE 17 -1.193 -2.363 -5.647 72 HG13 ILE 17 2HG1 ILE 17 1.754 -1.829 -5.206 73 HG21 ILE 17 1HG2 ILE 17 0.312 -0.072 -4.433 74 HG22 ILE 17 2HG2 ILE 17 -0.981 -0.041 -5.632 75 HG23 ILE 17 3HG2 ILE 17 -1.345 -0.440 -3.953 76 HD11 ILE 17 3HD1 ILE 17 0.351 -4.235 -5.973 77 HD12 ILE 17 1HD1 ILE 17 1.472 -3.695 -7.223 78 HD13 ILE 17 2HD1 ILE 17 2.053 -3.991 -5.584 79 H CYS 18 H CYS 18 2.055 -3.616 -3.670 80 HA CYS 18 HA CYS 18 2.870 -1.612 -1.672 81 HB3 CYS 18 2HB CYS 18 4.586 -3.582 -1.094 82 H THR 19 H THR 19 4.668 -0.489 -2.128 83 HA THR 19 HA THR 19 6.561 -1.504 -4.103 84 HB THR 19 HB THR 19 6.560 0.596 -5.380 85 HG1 THR 19 1HG THR 19 5.376 2.260 -4.773 86 HG21 THR 19 3HG2 THR 19 3.777 -0.562 -5.244 87 HG22 THR 19 1HG2 THR 19 5.132 -1.336 -6.065 88 HG23 THR 19 2HG2 THR 19 4.538 0.228 -6.625 89 H PHE 20 H PHE 20 8.259 0.488 -4.420 90 HA PHE 20 HA PHE 20 9.704 0.609 -2.042 91 HB3 PHE 20 2HB PHE 20 10.757 0.927 -4.218 92 HD1 PHE 20 2HD PHE 20 9.312 1.148 -6.147 93 HD2 PHE 20 1HD PHE 20 10.157 4.479 -3.635 94 HE1 PHE 20 2HE PHE 20 8.444 2.667 -7.876 95 HE2 PHE 20 1HE PHE 20 9.289 6.004 -5.361 96 HZ PHE 20 HZ PHE 20 8.432 5.098 -7.485 97 H ARG 21 H ARG 21 7.127 2.595 -3.200 98 HA ARG 21 HA ARG 21 7.667 4.675 -1.219 99 HB3 ARG 21 2HB ARG 21 5.450 5.577 -2.347 100 HG3 ARG 21 2HG ARG 21 7.032 6.222 -4.416 101 HD3 ARG 21 2HD ARG 21 6.087 7.535 -2.320 102 HE ARG 21 HE ARG 21 8.704 6.843 -1.412 103 HH11 ARG 21 1HH1 ARG 21 6.311 9.372 -1.429 104 HH12 ARG 21 2HH1 ARG 21 6.878 10.097 0.039 105 HH21 ARG 21 1HH2 ARG 21 9.459 7.788 0.521 106 HH22 ARG 21 2HH2 ARG 21 8.668 9.196 1.147 107 H GLY 22 H GLY 22 6.773 1.898 -0.559 108 HA2 GLY 22 2HA GLY 22 5.517 1.079 1.211 109 HA3 GLY 22 3HA GLY 22 4.770 2.662 1.370 110 H CYS 23 H CYS 23 2.845 1.273 1.753 111 HA CYS 23 HA CYS 23 1.722 -0.029 -0.583 112 HB3 CYS 23 2HB CYS 23 -0.049 -0.747 0.863 113 H GLY 24 H GLY 24 -0.814 0.454 -0.769 114 HA2 GLY 24 2HA GLY 24 -1.645 3.149 -0.415 115 HA3 GLY 24 3HA GLY 24 -1.078 2.895 -2.059 116 H ALA 25 H ALA 25 -3.773 3.516 -1.028 117 HA ALA 25 HA ALA 25 -5.236 1.093 -1.814 118 HB1 ALA 25 1HB ALA 25 -6.552 3.537 -0.700 119 HB2 ALA 25 2HB ALA 25 -7.060 1.850 -0.608 120 HB3 ALA 25 3HB ALA 25 -5.703 2.417 0.366 121 H VAL 26 H VAL 26 -7.498 1.855 -2.846 122 HA VAL 26 HA VAL 26 -6.885 2.715 -5.454 123 HB VAL 26 HB VAL 26 -9.326 2.804 -5.814 124 HG11 VAL 26 1HG1 VAL 26 -9.699 0.492 -5.626 125 HG12 VAL 26 2HG1 VAL 26 -7.950 0.660 -5.782 126 HG13 VAL 26 3HG1 VAL 26 -8.669 0.357 -4.200 127 HG21 VAL 26 3HG2 VAL 26 -9.388 2.453 -2.830 128 HG22 VAL 26 1HG2 VAL 26 -10.184 3.685 -3.810 129 HG23 VAL 26 2HG2 VAL 26 -10.753 2.017 -3.856 130 H ASN 27 H ASN 27 -6.759 4.671 -6.350 131 HA ASN 27 HA ASN 27 -6.707 6.936 -6.565 132 HB3 ASN 27 2HB ASN 27 -8.756 8.147 -5.669 133 HD21 ASN 27 1HD2 ASN 27 -9.949 5.000 -6.497 134 HD22 ASN 27 2HD2 ASN 27 -10.303 5.345 -8.153 135 H GLY 28 H GLY 28 -5.429 5.661 -4.209 136 HA2 GLY 28 2HA GLY 28 -4.212 6.363 -2.392 137 HA3 GLY 28 3HA GLY 28 -4.555 8.008 -2.907 138 H LEU 29 H LEU 29 -6.561 5.331 -1.671 139 HA LEU 29 HA LEU 29 -7.933 7.221 0.075 140 HB3 LEU 29 2HB LEU 29 -8.459 4.336 -0.612 141 HG LEU 29 HG LEU 29 -9.357 5.385 1.719 142 HD11 LEU 29 1HD1 LEU 29 -11.902 5.609 0.421 143 HD12 LEU 29 2HD1 LEU 29 -10.781 6.795 -0.244 144 HD13 LEU 29 3HD1 LEU 29 -11.089 6.750 1.491 145 HD21 LEU 29 3HD2 LEU 29 -11.002 3.558 -0.020 146 HD22 LEU 29 1HD2 LEU 29 -10.928 3.600 1.742 147 HD23 LEU 29 2HD2 LEU 29 -9.532 3.051 0.814 148 HA PRO 30 HA PRO 30 -5.618 6.064 3.646 149 HB3 PRO 30 2HB PRO 30 -6.364 8.031 4.571 150 HG3 PRO 30 2HG PRO 30 -8.480 8.862 4.079 151 HD3 PRO 30 2HD PRO 30 -7.707 8.456 1.945 Start of MODEL 11 1 H1 SER 1 H SER 1 -7.413 3.898 3.158 2 HA SER 1 HA SER 1 -7.208 2.368 5.491 3 HB3 SER 1 2HB SER 1 -7.492 1.304 2.671 4 HG SER 1 HG SER 1 -8.188 0.316 5.232 5 H CYS 2 H CYS 2 -5.270 2.259 2.512 6 HA CYS 2 HA CYS 2 -3.271 0.654 3.962 7 HB3 CYS 2 2HB CYS 2 -2.542 -0.223 1.849 8 H ASN 3 H ASN 3 -1.894 2.104 4.832 9 HA ASN 3 HA ASN 3 -0.312 3.705 2.997 10 HB3 ASN 3 2HB ASN 3 -1.606 4.997 5.406 11 HD21 ASN 3 1HD2 ASN 3 -1.348 7.275 5.447 12 HD22 ASN 3 2HD2 ASN 3 0.022 8.020 4.703 13 H ASN 4 H ASN 4 0.859 1.667 3.916 14 HA ASN 4 HA ASN 4 2.500 2.603 6.162 15 HB3 ASN 4 2HB ASN 4 1.242 1.022 7.310 16 HD21 ASN 4 1HD2 ASN 4 2.327 -1.616 5.444 17 HD22 ASN 4 2HD2 ASN 4 0.789 -2.113 4.832 18 H SER 5 H SER 5 4.425 0.851 6.351 19 HA SER 5 HA SER 5 5.732 0.977 3.752 20 HB3 SER 5 2HB SER 5 7.742 0.185 5.143 21 HG SER 5 HG SER 5 8.086 2.245 5.134 22 H CYS 6 H CYS 6 6.479 -0.768 2.611 23 HA CYS 6 HA CYS 6 6.523 -3.424 3.599 24 HB3 CYS 6 2HB CYS 6 4.143 -3.386 3.496 25 H GLN 7 H GLN 7 7.081 -4.998 1.911 26 HA GLN 7 HA GLN 7 8.372 -3.679 -0.386 27 HB3 GLN 7 2HB GLN 7 9.281 -6.341 0.624 28 HG3 GLN 7 2HG GLN 7 10.899 -4.008 -0.355 29 HE21 GLN 7 1HE2 GLN 7 12.160 -4.902 1.545 30 HE22 GLN 7 2HE2 GLN 7 13.251 -6.196 1.203 31 H SER 8 H SER 8 6.843 -6.706 0.677 32 HA SER 8 HA SER 8 5.774 -7.031 -2.034 33 HB3 SER 8 2HB SER 8 6.453 -9.268 -2.243 34 HG SER 8 HG SER 8 8.462 -8.746 -2.482 35 H HIS 9 H HIS 9 3.845 -6.205 -1.012 36 HA HIS 9 HA HIS 9 1.914 -6.332 0.235 37 HB3 HIS 9 2HB HIS 9 1.433 -7.709 -1.739 38 HD1 HIS 9 1HD HIS 9 3.394 -9.149 -2.671 39 HD2 HIS 9 2HD HIS 9 1.344 -10.872 0.504 40 HE1 HIS 9 1HE HIS 9 4.107 -11.560 -2.641 41 H SER 10 H SER 10 4.101 -6.689 1.910 42 HA SER 10 HA SER 10 3.707 -9.025 3.548 43 HB3 SER 10 2HB SER 10 5.418 -6.556 3.914 44 HG SER 10 HG SER 10 6.166 -8.683 5.379 45 H ASP 11 H ASP 11 3.512 -5.535 4.270 46 HA ASP 11 HA ASP 11 1.662 -6.134 6.455 47 HB3 ASP 11 2HB ASP 11 2.009 -3.503 6.712 48 H CYS 12 H CYS 12 1.722 -4.860 3.266 49 HA CYS 12 HA CYS 12 -0.410 -3.108 3.217 50 HB3 CYS 12 2HB CYS 12 -0.656 -3.669 0.859 51 H ALA 13 H ALA 13 -2.507 -3.284 3.634 52 HA ALA 13 HA ALA 13 -3.655 -5.942 4.023 53 HB1 ALA 13 1HB ALA 13 -3.948 -4.352 5.828 54 HB2 ALA 13 2HB ALA 13 -4.728 -3.213 4.729 55 HB3 ALA 13 3HB ALA 13 -5.510 -4.748 5.109 56 H SER 14 H SER 14 -5.911 -6.306 3.283 57 HA SER 14 HA SER 14 -7.346 -6.623 1.541 58 HB3 SER 14 2HB SER 14 -7.963 -4.419 0.324 59 HG SER 14 HG SER 14 -8.368 -3.914 2.979 60 H HIS 15 H HIS 15 -4.555 -7.088 1.013 61 HA HIS 15 HA HIS 15 -3.127 -7.516 -0.708 62 HB3 HIS 15 2HB HIS 15 -4.348 -7.741 -3.006 63 HD1 HIS 15 1HD HIS 15 -2.790 -9.529 -0.962 64 HD2 HIS 15 2HD HIS 15 -6.724 -10.122 -2.161 65 HE1 HIS 15 1HE HIS 15 -3.256 -11.966 -0.559 66 H CYS 16 H CYS 16 -3.744 -4.700 0.029 67 HA CYS 16 HA CYS 16 -3.804 -3.052 -2.242 68 HB3 CYS 16 2HB CYS 16 -2.549 -1.440 -0.569 69 H ILE 17 H ILE 17 -2.185 -2.024 -3.410 70 HA ILE 17 HA ILE 17 0.044 -3.478 -4.130 71 HB ILE 17 HB ILE 17 0.865 -1.526 -5.268 72 HG13 ILE 17 2HG1 ILE 17 -0.704 -0.113 -3.185 73 HG21 ILE 17 1HG2 ILE 17 -2.035 -1.004 -5.501 74 HG22 ILE 17 2HG2 ILE 17 -0.840 -1.352 -6.749 75 HG23 ILE 17 3HG2 ILE 17 -1.500 -2.662 -5.771 76 HD11 ILE 17 3HD1 ILE 17 1.441 1.268 -4.621 77 HD12 ILE 17 1HD1 ILE 17 1.147 1.106 -2.890 78 HD13 ILE 17 2HD1 ILE 17 1.934 -0.200 -3.777 79 H CYS 18 H CYS 18 2.354 -2.854 -3.911 80 HA CYS 18 HA CYS 18 3.082 -1.466 -1.468 81 HB3 CYS 18 2HB CYS 18 4.606 -3.617 -1.019 82 H THR 19 H THR 19 4.630 -0.133 -2.108 83 HA THR 19 HA THR 19 6.775 -1.179 -3.823 84 HB THR 19 HB THR 19 6.865 0.930 -5.070 85 HG1 THR 19 1HG THR 19 5.715 2.599 -4.453 86 HG21 THR 19 3HG2 THR 19 4.674 0.689 -6.296 87 HG22 THR 19 1HG2 THR 19 4.211 -0.502 -5.080 88 HG23 THR 19 2HG2 THR 19 5.605 -0.798 -6.121 89 H PHE 20 H PHE 20 8.508 0.777 -3.963 90 HA PHE 20 HA PHE 20 9.718 0.890 -1.452 91 HB3 PHE 20 2HB PHE 20 10.833 1.207 -3.699 92 HD1 PHE 20 2HD PHE 20 9.077 2.014 -5.359 93 HD2 PHE 20 1HD PHE 20 11.230 4.625 -2.777 94 HE1 PHE 20 2HE PHE 20 8.529 3.911 -6.826 95 HE2 PHE 20 1HE PHE 20 10.685 6.527 -4.240 96 HZ PHE 20 HZ PHE 20 9.332 6.172 -6.267 97 H ARG 21 H ARG 21 7.278 2.876 -2.852 98 HA ARG 21 HA ARG 21 7.677 5.002 -0.889 99 HB3 ARG 21 2HB ARG 21 5.463 5.760 -2.240 100 HG3 ARG 21 2HG ARG 21 7.902 6.183 -3.824 101 HD3 ARG 21 2HD ARG 21 5.722 7.481 -3.933 102 HE ARG 21 HE ARG 21 6.166 7.940 -1.231 103 HH11 ARG 21 1HH1 ARG 21 5.515 9.793 -4.105 104 HH12 ARG 21 2HH1 ARG 21 4.697 11.064 -3.259 105 HH21 ARG 21 1HH2 ARG 21 5.091 9.608 -0.105 106 HH22 ARG 21 2HH2 ARG 21 4.457 10.958 -0.983 107 H GLY 22 H GLY 22 6.669 2.195 -0.322 108 HA2 GLY 22 2HA GLY 22 5.316 1.440 1.418 109 HA3 GLY 22 3HA GLY 22 4.559 3.025 1.481 110 H CYS 23 H CYS 23 2.855 1.070 1.780 111 HA CYS 23 HA CYS 23 1.845 -0.069 -0.624 112 HB3 CYS 23 2HB CYS 23 -0.026 -0.810 0.723 113 H GLY 24 H GLY 24 -0.840 0.336 -0.648 114 HA2 GLY 24 2HA GLY 24 -1.569 3.097 -0.560 115 HA3 GLY 24 3HA GLY 24 -1.196 2.586 -2.200 116 H ALA 25 H ALA 25 -3.741 3.440 -0.892 117 HA ALA 25 HA ALA 25 -5.339 1.002 -1.282 118 HB1 ALA 25 1HB ALA 25 -6.924 3.155 -0.307 119 HB2 ALA 25 2HB ALA 25 -6.495 1.645 0.497 120 HB3 ALA 25 3HB ALA 25 -5.452 3.057 0.660 121 H VAL 26 H VAL 26 -7.617 1.534 -2.173 122 HA VAL 26 HA VAL 26 -7.410 2.274 -4.830 123 HB VAL 26 HB VAL 26 -9.895 2.504 -4.805 124 HG11 VAL 26 1HG1 VAL 26 -9.545 0.053 -3.255 125 HG12 VAL 26 2HG1 VAL 26 -10.073 0.275 -4.924 126 HG13 VAL 26 3HG1 VAL 26 -8.351 0.258 -4.536 127 HG21 VAL 26 3HG2 VAL 26 -9.463 2.194 -1.845 128 HG22 VAL 26 1HG2 VAL 26 -10.349 3.460 -2.698 129 HG23 VAL 26 2HG2 VAL 26 -11.002 1.823 -2.623 130 H ASN 27 H ASN 27 -7.139 4.160 -5.812 131 HA ASN 27 HA ASN 27 -7.051 6.394 -6.225 132 HB3 ASN 27 2HB ASN 27 -8.953 7.756 -5.506 133 HD21 ASN 27 1HD2 ASN 27 -9.238 7.396 -7.716 134 HD22 ASN 27 2HD2 ASN 27 -10.309 6.176 -8.306 135 H GLY 28 H GLY 28 -5.576 5.256 -3.945 136 HA2 GLY 28 2HA GLY 28 -4.285 5.961 -2.180 137 HA3 GLY 28 3HA GLY 28 -4.377 7.542 -2.941 138 H LEU 29 H LEU 29 -6.328 5.361 -0.911 139 HA LEU 29 HA LEU 29 -7.257 7.740 0.559 140 HB3 LEU 29 2HB LEU 29 -9.068 5.730 1.116 141 HG LEU 29 HG LEU 29 -9.539 8.171 0.481 142 HD11 LEU 29 1HD1 LEU 29 -8.739 8.491 -1.646 143 HD12 LEU 29 2HD1 LEU 29 -10.442 8.167 -1.971 144 HD13 LEU 29 3HD1 LEU 29 -9.243 6.892 -2.196 145 HD21 LEU 29 3HD2 LEU 29 -11.827 7.636 -0.148 146 HD22 LEU 29 1HD2 LEU 29 -11.258 6.538 1.110 147 HD23 LEU 29 2HD2 LEU 29 -11.345 5.992 -0.565 148 HA PRO 30 HA PRO 30 -5.679 6.070 4.296 149 HB3 PRO 30 2HB PRO 30 -6.525 7.915 5.370 150 HG3 PRO 30 2HG PRO 30 -8.582 8.817 4.767 151 HD3 PRO 30 2HD PRO 30 -7.592 8.665 2.691 Start of MODEL 12 1 H1 SER 1 H SER 1 -6.724 3.488 2.445 2 HA SER 1 HA SER 1 -7.757 2.030 4.704 3 HB3 SER 1 2HB SER 1 -6.866 1.036 1.985 4 HG SER 1 HG SER 1 -8.545 -0.616 2.737 5 H CYS 2 H CYS 2 -4.696 2.277 2.980 6 HA CYS 2 HA CYS 2 -3.424 0.787 5.174 7 HB3 CYS 2 2HB CYS 2 -1.885 -0.254 3.554 8 H ASN 3 H ASN 3 -2.015 2.044 6.182 9 HA ASN 3 HA ASN 3 -0.448 3.967 4.601 10 HB3 ASN 3 2HB ASN 3 -2.006 5.373 5.671 11 HD21 ASN 3 1HD2 ASN 3 -3.205 6.083 7.496 12 HD22 ASN 3 2HD2 ASN 3 -3.648 4.970 8.741 13 H ASN 4 H ASN 4 0.774 1.726 4.921 14 HA ASN 4 HA ASN 4 2.708 2.225 7.063 15 HB3 ASN 4 2HB ASN 4 1.574 0.528 8.154 16 HD21 ASN 4 1HD2 ASN 4 2.086 -1.970 5.984 17 HD22 ASN 4 2HD2 ASN 4 0.449 -2.225 5.492 18 H SER 5 H SER 5 4.777 1.157 6.711 19 HA SER 5 HA SER 5 5.498 1.214 3.917 20 HB3 SER 5 2HB SER 5 7.793 1.027 4.702 21 HG SER 5 HG SER 5 7.706 3.009 5.372 22 H CYS 6 H CYS 6 6.554 -0.476 2.788 23 HA CYS 6 HA CYS 6 6.815 -3.101 3.853 24 HB3 CYS 6 2HB CYS 6 4.446 -3.260 3.711 25 H GLN 7 H GLN 7 7.154 -4.721 1.959 26 HA GLN 7 HA GLN 7 8.468 -3.347 -0.286 27 HB3 GLN 7 2HB GLN 7 10.196 -5.239 -0.151 28 HG3 GLN 7 2HG GLN 7 10.067 -3.110 1.963 29 HE21 GLN 7 1HE2 GLN 7 11.566 -3.056 3.489 30 HE22 GLN 7 2HE2 GLN 7 12.934 -4.106 3.596 31 H SER 8 H SER 8 7.031 -6.328 0.943 32 HA SER 8 HA SER 8 6.002 -6.901 -1.717 33 HB3 SER 8 2HB SER 8 7.748 -8.840 -0.183 34 HG SER 8 HG SER 8 7.182 -9.892 -2.454 35 H HIS 9 H HIS 9 4.214 -6.103 -0.205 36 HA HIS 9 HA HIS 9 2.333 -6.501 1.020 37 HB3 HIS 9 2HB HIS 9 1.389 -8.867 0.715 38 HD1 HIS 9 1HD HIS 9 0.572 -6.093 -0.224 39 HD2 HIS 9 2HD HIS 9 1.761 -9.126 -2.802 40 HE1 HIS 9 1HE HIS 9 -0.435 -5.512 -2.454 41 H SER 10 H SER 10 4.902 -6.811 2.363 42 HA SER 10 HA SER 10 4.643 -9.029 4.180 43 HB3 SER 10 2HB SER 10 6.461 -6.648 4.539 44 HG SER 10 HG SER 10 6.601 -8.058 6.224 45 H ASP 11 H ASP 11 3.980 -5.578 4.225 46 HA ASP 11 HA ASP 11 2.799 -5.890 6.907 47 HB3 ASP 11 2HB ASP 11 3.174 -3.492 7.236 48 H CYS 12 H CYS 12 2.269 -4.990 3.619 49 HA CYS 12 HA CYS 12 -0.093 -3.472 3.944 50 HB3 CYS 12 2HB CYS 12 -0.415 -3.755 1.582 51 H ALA 13 H ALA 13 -2.254 -4.202 3.104 52 HA ALA 13 HA ALA 13 -2.928 -6.971 3.194 53 HB1 ALA 13 1HB ALA 13 -2.853 -7.027 5.479 54 HB2 ALA 13 2HB ALA 13 -3.280 -5.323 5.647 55 HB3 ALA 13 3HB ALA 13 -4.522 -6.506 5.239 56 H SER 14 H SER 14 -5.294 -7.313 3.010 57 HA SER 14 HA SER 14 -7.300 -6.893 2.023 58 HB3 SER 14 2HB SER 14 -6.964 -3.948 2.495 59 HG SER 14 HG SER 14 -9.164 -4.132 2.945 60 H HIS 15 H HIS 15 -5.329 -7.239 0.263 61 HA HIS 15 HA HIS 15 -4.604 -6.827 -1.859 62 HB3 HIS 15 2HB HIS 15 -6.369 -5.793 -3.373 63 HD1 HIS 15 1HD HIS 15 -5.214 -8.612 -2.919 64 HD2 HIS 15 2HD HIS 15 -9.218 -7.615 -2.422 65 HE1 HIS 15 1HE HIS 15 -6.481 -10.768 -3.180 66 H CYS 16 H CYS 16 -3.435 -5.101 -0.177 67 HA CYS 16 HA CYS 16 -3.676 -2.451 -1.427 68 HB3 CYS 16 2HB CYS 16 -2.080 -1.948 0.657 69 H ILE 17 H ILE 17 -2.277 -2.117 -3.017 70 HA ILE 17 HA ILE 17 -0.060 -3.634 -3.651 71 HB ILE 17 HB ILE 17 -1.139 -1.964 -5.155 72 HG13 ILE 17 2HG1 ILE 17 1.858 -1.732 -4.799 73 HG21 ILE 17 1HG2 ILE 17 -1.010 0.277 -4.863 74 HG22 ILE 17 2HG2 ILE 17 -0.848 -0.193 -3.171 75 HG23 ILE 17 3HG2 ILE 17 0.587 0.199 -4.120 76 HD11 ILE 17 3HD1 ILE 17 0.179 -3.602 -6.446 77 HD12 ILE 17 1HD1 ILE 17 1.908 -3.354 -6.695 78 HD13 ILE 17 2HD1 ILE 17 1.322 -4.014 -5.167 79 H CYS 18 H CYS 18 2.139 -3.471 -3.293 80 HA CYS 18 HA CYS 18 2.967 -1.630 -1.146 81 HB3 CYS 18 2HB CYS 18 4.697 -3.637 -0.767 82 H THR 19 H THR 19 3.905 -0.116 -2.474 83 HA THR 19 HA THR 19 6.067 -1.036 -4.243 84 HB THR 19 HB THR 19 5.930 1.188 -5.308 85 HG1 THR 19 1HG THR 19 4.186 2.556 -4.716 86 HG21 THR 19 3HG2 THR 19 4.477 -0.844 -5.955 87 HG22 THR 19 1HG2 THR 19 4.036 0.737 -6.599 88 HG23 THR 19 2HG2 THR 19 3.148 0.063 -5.233 89 H PHE 20 H PHE 20 7.691 1.021 -4.492 90 HA PHE 20 HA PHE 20 9.234 1.008 -2.149 91 HB3 PHE 20 2HB PHE 20 10.069 1.423 -4.489 92 HD1 PHE 20 2HD PHE 20 8.172 2.214 -5.956 93 HD2 PHE 20 1HD PHE 20 10.430 4.836 -3.477 94 HE1 PHE 20 2HE PHE 20 7.409 4.132 -7.296 95 HE2 PHE 20 1HE PHE 20 9.670 6.758 -4.812 96 HZ PHE 20 HZ PHE 20 8.159 6.407 -6.726 97 H ARG 21 H ARG 21 6.544 2.905 -3.041 98 HA ARG 21 HA ARG 21 7.196 5.037 -1.153 99 HB3 ARG 21 2HB ARG 21 5.177 6.140 -2.018 100 HG3 ARG 21 2HG ARG 21 6.525 5.163 -4.487 101 HD3 ARG 21 2HD ARG 21 6.388 7.461 -5.136 102 HE ARG 21 HE ARG 21 3.762 7.341 -3.984 103 HH11 ARG 21 1HH1 ARG 21 5.889 5.988 -6.386 104 HH12 ARG 21 2HH1 ARG 21 4.600 5.439 -7.406 105 HH21 ARG 21 1HH2 ARG 21 2.057 6.624 -5.319 106 HH22 ARG 21 2HH2 ARG 21 2.421 5.802 -6.798 107 H GLY 22 H GLY 22 6.500 2.207 -0.404 108 HA2 GLY 22 2HA GLY 22 5.459 1.277 1.434 109 HA3 GLY 22 3HA GLY 22 4.816 2.867 1.815 110 H CYS 23 H CYS 23 3.181 0.836 2.300 111 HA CYS 23 HA CYS 23 1.586 -0.079 0.178 112 HB3 CYS 23 2HB CYS 23 -0.011 -0.740 1.865 113 H GLY 24 H GLY 24 -0.213 0.707 -0.816 114 HA2 GLY 24 2HA GLY 24 -1.442 3.166 0.161 115 HA3 GLY 24 3HA GLY 24 -0.666 3.250 -1.413 116 H ALA 25 H ALA 25 -3.444 3.684 -0.843 117 HA ALA 25 HA ALA 25 -4.692 1.354 -2.137 118 HB1 ALA 25 1HB ALA 25 -6.571 1.724 -0.953 119 HB2 ALA 25 2HB ALA 25 -5.482 2.599 0.124 120 HB3 ALA 25 3HB ALA 25 -6.431 3.478 -1.076 121 H VAL 26 H VAL 26 -6.561 1.943 -3.614 122 HA VAL 26 HA VAL 26 -5.648 3.328 -5.833 123 HB VAL 26 HB VAL 26 -8.057 3.379 -6.566 124 HG11 VAL 26 1HG1 VAL 26 -7.367 0.649 -5.553 125 HG12 VAL 26 2HG1 VAL 26 -8.069 1.122 -7.102 126 HG13 VAL 26 3HG1 VAL 26 -6.363 1.431 -6.775 127 HG21 VAL 26 3HG2 VAL 26 -9.038 3.598 -4.316 128 HG22 VAL 26 1HG2 VAL 26 -9.707 2.232 -5.208 129 HG23 VAL 26 2HG2 VAL 26 -8.509 1.958 -3.943 130 H ASN 27 H ASN 27 -5.665 5.400 -6.484 131 HA ASN 27 HA ASN 27 -5.855 7.665 -6.413 132 HB3 ASN 27 2HB ASN 27 -8.395 7.452 -4.842 133 HD21 ASN 27 1HD2 ASN 27 -9.411 8.236 -7.682 134 HD22 ASN 27 2HD2 ASN 27 -9.123 9.940 -7.721 135 H GLY 28 H GLY 28 -4.589 6.200 -4.174 136 HA2 GLY 28 2HA GLY 28 -3.638 6.670 -2.138 137 HA3 GLY 28 3HA GLY 28 -3.930 8.358 -2.534 138 H LEU 29 H LEU 29 -6.081 5.616 -1.787 139 HA LEU 29 HA LEU 29 -7.584 7.350 0.015 140 HB3 LEU 29 2HB LEU 29 -8.117 4.587 -1.059 141 HG LEU 29 HG LEU 29 -9.226 5.397 1.275 142 HD11 LEU 29 1HD1 LEU 29 -10.391 7.082 -0.640 143 HD12 LEU 29 2HD1 LEU 29 -10.884 6.848 1.037 144 HD13 LEU 29 3HD1 LEU 29 -11.612 5.874 -0.239 145 HD21 LEU 29 3HD2 LEU 29 -9.396 3.182 0.247 146 HD22 LEU 29 1HD2 LEU 29 -10.588 3.803 -0.894 147 HD23 LEU 29 2HD2 LEU 29 -10.962 3.748 0.828 148 HA PRO 30 HA PRO 30 -5.692 5.697 3.638 149 HB3 PRO 30 2HB PRO 30 -6.474 7.572 4.710 150 HG3 PRO 30 2HG PRO 30 -8.502 8.538 4.110 151 HD3 PRO 30 2HD PRO 30 -7.521 8.350 2.032 Start of MODEL 13 1 H1 SER 1 H SER 1 -6.902 3.601 2.582 2 HA SER 1 HA SER 1 -7.564 2.193 4.999 3 HB3 SER 1 2HB SER 1 -7.828 1.643 2.068 4 HG SER 1 HG SER 1 -8.859 -0.418 3.164 5 H CYS 2 H CYS 2 -5.002 2.092 2.604 6 HA CYS 2 HA CYS 2 -3.547 0.212 4.331 7 HB3 CYS 2 2HB CYS 2 -2.753 -1.049 2.453 8 H ASN 3 H ASN 3 -2.656 2.312 5.055 9 HA ASN 3 HA ASN 3 -0.549 3.261 3.225 10 HB3 ASN 3 2HB ASN 3 -1.949 4.808 5.417 11 HD21 ASN 3 1HD2 ASN 3 -1.402 7.014 5.524 12 HD22 ASN 3 2HD2 ASN 3 0.141 7.581 4.994 13 H ASN 4 H ASN 4 1.008 1.798 3.933 14 HA ASN 4 HA ASN 4 2.284 2.521 6.432 15 HB3 ASN 4 2HB ASN 4 0.617 0.659 6.932 16 HD21 ASN 4 1HD2 ASN 4 -0.352 -0.807 5.711 17 HD22 ASN 4 2HD2 ASN 4 0.432 -2.116 4.899 18 H SER 5 H SER 5 4.262 0.817 6.675 19 HA SER 5 HA SER 5 5.736 1.128 4.176 20 HB3 SER 5 2HB SER 5 6.802 1.964 6.207 21 HG SER 5 HG SER 5 7.349 -0.463 7.316 22 H CYS 6 H CYS 6 5.979 -0.499 2.809 23 HA CYS 6 HA CYS 6 6.383 -3.202 3.767 24 HB3 CYS 6 2HB CYS 6 3.995 -3.244 3.665 25 H GLN 7 H GLN 7 6.532 -4.704 1.706 26 HA GLN 7 HA GLN 7 7.812 -3.256 -0.497 27 HB3 GLN 7 2HB GLN 7 9.082 -5.731 0.640 28 HG3 GLN 7 2HG GLN 7 9.994 -3.511 -1.148 29 HE21 GLN 7 1HE2 GLN 7 11.614 -2.571 0.055 30 HE22 GLN 7 2HE2 GLN 7 13.065 -3.404 0.483 31 H SER 8 H SER 8 6.751 -6.432 0.696 32 HA SER 8 HA SER 8 5.686 -6.984 -1.989 33 HB3 SER 8 2HB SER 8 6.367 -9.354 -1.742 34 HG SER 8 HG SER 8 7.815 -7.537 -2.576 35 H HIS 9 H HIS 9 3.942 -5.963 -0.392 36 HA HIS 9 HA HIS 9 1.973 -6.238 0.718 37 HB3 HIS 9 2HB HIS 9 0.869 -8.542 0.315 38 HD1 HIS 9 1HD HIS 9 2.635 -6.660 -2.497 39 HD2 HIS 9 2HD HIS 9 -1.182 -7.620 -1.164 40 HE1 HIS 9 1HE HIS 9 1.061 -5.638 -4.171 41 H SER 10 H SER 10 4.525 -6.936 2.068 42 HA SER 10 HA SER 10 4.053 -9.152 3.791 43 HB3 SER 10 2HB SER 10 5.981 -8.300 5.067 44 HG SER 10 HG SER 10 6.573 -9.405 3.246 45 H ASP 11 H ASP 11 3.574 -5.663 4.083 46 HA ASP 11 HA ASP 11 2.176 -6.124 6.634 47 HB3 ASP 11 2HB ASP 11 2.497 -3.533 6.796 48 H CYS 12 H CYS 12 1.888 -4.955 3.393 49 HA CYS 12 HA CYS 12 -0.335 -3.308 3.545 50 HB3 CYS 12 2HB CYS 12 -0.730 -3.848 1.207 51 H ALA 13 H ALA 13 -2.485 -3.601 3.767 52 HA ALA 13 HA ALA 13 -3.401 -6.336 4.331 53 HB1 ALA 13 1HB ALA 13 -5.298 -5.223 5.492 54 HB2 ALA 13 2HB ALA 13 -3.720 -4.846 6.184 55 HB3 ALA 13 3HB ALA 13 -4.536 -3.668 5.156 56 H SER 14 H SER 14 -5.681 -6.823 3.725 57 HA SER 14 HA SER 14 -7.190 -7.217 2.064 58 HB3 SER 14 2HB SER 14 -7.066 -4.339 1.249 59 HG SER 14 HG SER 14 -9.383 -4.693 1.464 60 H HIS 15 H HIS 15 -4.426 -7.538 1.367 61 HA HIS 15 HA HIS 15 -3.075 -7.870 -0.436 62 HB3 HIS 15 2HB HIS 15 -4.420 -8.134 -2.663 63 HD1 HIS 15 1HD HIS 15 -2.597 -9.879 -0.893 64 HD2 HIS 15 2HD HIS 15 -6.627 -10.636 -1.566 65 HE1 HIS 15 1HE HIS 15 -2.901 -12.338 -0.464 66 H CYS 16 H CYS 16 -3.771 -5.100 0.370 67 HA CYS 16 HA CYS 16 -4.030 -3.457 -1.908 68 HB3 CYS 16 2HB CYS 16 -2.883 -1.747 -0.277 69 H ILE 17 H ILE 17 -2.502 -2.309 -3.094 70 HA ILE 17 HA ILE 17 -0.196 -3.612 -3.863 71 HB ILE 17 HB ILE 17 0.475 -1.608 -5.006 72 HG13 ILE 17 2HG1 ILE 17 -1.141 -0.306 -2.886 73 HG21 ILE 17 1HG2 ILE 17 -2.098 -2.749 -5.196 74 HG22 ILE 17 2HG2 ILE 17 -2.281 -1.014 -5.447 75 HG23 ILE 17 3HG2 ILE 17 -1.171 -1.938 -6.457 76 HD11 ILE 17 3HD1 ILE 17 0.929 1.148 -4.396 77 HD12 ILE 17 1HD1 ILE 17 0.606 1.097 -2.664 78 HD13 ILE 17 2HD1 ILE 17 1.471 -0.230 -3.439 79 H CYS 18 H CYS 18 2.069 -2.904 -3.658 80 HA CYS 18 HA CYS 18 2.770 -1.427 -1.262 81 HB3 CYS 18 2HB CYS 18 4.369 -3.511 -0.757 82 H THR 19 H THR 19 4.293 -0.079 -1.925 83 HA THR 19 HA THR 19 6.442 -1.102 -3.647 84 HB THR 19 HB THR 19 6.461 0.967 -4.949 85 HG1 THR 19 1HG THR 19 4.314 1.629 -3.226 86 HG21 THR 19 3HG2 THR 19 4.255 0.667 -6.126 87 HG22 THR 19 1HG2 THR 19 3.823 -0.489 -4.868 88 HG23 THR 19 2HG2 THR 19 5.201 -0.807 -5.922 89 H PHE 20 H PHE 20 8.078 0.968 -3.861 90 HA PHE 20 HA PHE 20 9.385 1.123 -1.412 91 HB3 PHE 20 2HB PHE 20 10.604 1.545 -3.434 92 HD1 PHE 20 1HD PHE 20 9.311 4.972 -3.075 93 HD2 PHE 20 2HD PHE 20 9.544 1.522 -5.557 94 HE1 PHE 20 1HE PHE 20 8.429 6.277 -4.965 95 HE2 PHE 20 2HE PHE 20 8.663 2.822 -7.452 96 HZ PHE 20 HZ PHE 20 8.104 5.202 -7.157 97 H ARG 21 H ARG 21 6.785 3.021 -2.676 98 HA ARG 21 HA ARG 21 7.108 5.062 -0.610 99 HB3 ARG 21 2HB ARG 21 4.936 5.914 -1.846 100 HG3 ARG 21 2HG ARG 21 6.589 6.672 -3.807 101 HD3 ARG 21 2HD ARG 21 7.078 7.744 -1.056 102 HE ARG 21 HE ARG 21 7.957 9.307 -2.484 103 HH11 ARG 21 1HH1 ARG 21 4.845 8.288 -3.664 104 HH12 ARG 21 2HH1 ARG 21 4.768 9.505 -4.896 105 HH21 ARG 21 1HH2 ARG 21 7.867 10.914 -4.100 106 HH22 ARG 21 2HH2 ARG 21 6.488 10.997 -5.143 107 H GLY 22 H GLY 22 6.304 2.236 -0.072 108 HA2 GLY 22 2HA GLY 22 4.992 1.354 1.635 109 HA3 GLY 22 3HA GLY 22 4.104 2.869 1.700 110 H CYS 23 H CYS 23 2.279 1.317 1.939 111 HA CYS 23 HA CYS 23 1.471 -0.028 -0.513 112 HB3 CYS 23 2HB CYS 23 -0.266 -1.040 0.786 113 H GLY 24 H GLY 24 -1.073 0.167 -0.858 114 HA2 GLY 24 2HA GLY 24 -2.135 2.814 -0.455 115 HA3 GLY 24 3HA GLY 24 -1.622 2.520 -2.110 116 H ALA 25 H ALA 25 -4.307 2.877 -0.673 117 HA ALA 25 HA ALA 25 -5.655 0.374 -1.212 118 HB1 ALA 25 1HB ALA 25 -6.720 3.059 -0.345 119 HB2 ALA 25 2HB ALA 25 -7.683 1.587 -0.494 120 HB3 ALA 25 3HB ALA 25 -6.379 1.671 0.690 121 H VAL 26 H VAL 26 -6.655 3.632 -2.205 122 HA VAL 26 HA VAL 26 -6.666 2.831 -5.006 123 HB VAL 26 HB VAL 26 -9.059 3.753 -5.193 124 HG11 VAL 26 1HG1 VAL 26 -9.953 1.597 -5.083 125 HG12 VAL 26 2HG1 VAL 26 -8.234 1.332 -5.380 126 HG13 VAL 26 3HG1 VAL 26 -8.892 1.126 -3.757 127 HG21 VAL 26 3HG2 VAL 26 -9.009 3.055 -2.259 128 HG22 VAL 26 1HG2 VAL 26 -9.247 4.660 -2.951 129 HG23 VAL 26 2HG2 VAL 26 -10.458 3.403 -3.200 130 H ASN 27 H ASN 27 -5.637 4.439 -5.984 131 HA ASN 27 HA ASN 27 -4.940 6.517 -6.589 132 HB3 ASN 27 2HB ASN 27 -6.751 8.364 -6.198 133 HD21 ASN 27 1HD2 ASN 27 -7.289 8.972 -8.161 134 HD22 ASN 27 2HD2 ASN 27 -7.546 7.929 -9.515 135 H GLY 28 H GLY 28 -4.605 5.520 -3.754 136 HA2 GLY 28 2HA GLY 28 -3.235 6.410 -2.077 137 HA3 GLY 28 3HA GLY 28 -3.544 8.021 -2.710 138 H LEU 29 H LEU 29 -5.688 5.433 -1.528 139 HA LEU 29 HA LEU 29 -6.994 7.426 0.186 140 HB3 LEU 29 2HB LEU 29 -7.918 4.748 -0.837 141 HG LEU 29 HG LEU 29 -8.850 5.721 1.512 142 HD11 LEU 29 1HD1 LEU 29 -10.876 6.908 1.206 143 HD12 LEU 29 2HD1 LEU 29 -10.800 6.728 -0.546 144 HD13 LEU 29 3HD1 LEU 29 -9.644 7.770 0.284 145 HD21 LEU 29 3HD2 LEU 29 -10.528 4.334 -0.575 146 HD22 LEU 29 1HD2 LEU 29 -10.751 4.282 1.174 147 HD23 LEU 29 2HD2 LEU 29 -9.326 3.539 0.444 148 HA PRO 30 HA PRO 30 -5.248 5.572 3.785 149 HB3 PRO 30 2HB PRO 30 -5.747 7.546 4.851 150 HG3 PRO 30 2HG PRO 30 -7.643 8.768 4.286 151 HD3 PRO 30 2HD PRO 30 -6.748 8.429 2.189 Start of MODEL 14 1 H1 SER 1 H SER 1 -7.106 3.786 2.924 2 HA SER 1 HA SER 1 -7.338 2.227 5.264 3 HB3 SER 1 2HB SER 1 -6.948 1.084 2.500 4 HG SER 1 HG SER 1 -7.790 -0.620 3.392 5 H CYS 2 H CYS 2 -5.072 1.686 2.563 6 HA CYS 2 HA CYS 2 -3.203 0.468 4.466 7 HB3 CYS 2 2HB CYS 2 -2.186 -0.626 2.597 8 H ASN 3 H ASN 3 -2.178 2.226 5.360 9 HA ASN 3 HA ASN 3 -0.496 3.779 3.511 10 HB3 ASN 3 2HB ASN 3 -0.808 5.770 4.852 11 HD21 ASN 3 1HD2 ASN 3 -1.786 6.678 3.160 12 HD22 ASN 3 2HD2 ASN 3 -3.453 6.480 2.755 13 H ASN 4 H ASN 4 0.759 1.720 4.300 14 HA ASN 4 HA ASN 4 2.437 2.602 6.546 15 HB3 ASN 4 2HB ASN 4 1.330 0.889 7.635 16 HD21 ASN 4 1HD2 ASN 4 2.341 -1.590 5.540 17 HD22 ASN 4 2HD2 ASN 4 0.781 -2.066 4.969 18 H SER 5 H SER 5 4.452 0.955 6.567 19 HA SER 5 HA SER 5 5.637 1.258 3.914 20 HB3 SER 5 2HB SER 5 7.755 1.140 4.970 21 HG SER 5 HG SER 5 6.924 3.073 5.560 22 H CYS 6 H CYS 6 6.421 -0.408 2.703 23 HA CYS 6 HA CYS 6 6.695 -3.070 3.705 24 HB3 CYS 6 2HB CYS 6 4.312 -3.166 3.549 25 H GLN 7 H GLN 7 6.834 -4.618 1.629 26 HA GLN 7 HA GLN 7 8.178 -3.206 -0.555 27 HB3 GLN 7 2HB GLN 7 9.447 -5.660 0.615 28 HG3 GLN 7 2HG GLN 7 10.147 -4.675 -1.616 29 HE21 GLN 7 1HE2 GLN 7 10.639 -2.921 -2.717 30 HE22 GLN 7 2HE2 GLN 7 11.195 -1.426 -2.053 31 H SER 8 H SER 8 7.147 -6.383 0.668 32 HA SER 8 HA SER 8 6.110 -6.981 -2.018 33 HB3 SER 8 2HB SER 8 8.214 -8.209 -1.741 34 HG SER 8 HG SER 8 8.553 -8.650 0.320 35 H HIS 9 H HIS 9 4.273 -6.023 -0.584 36 HA HIS 9 HA HIS 9 2.314 -6.316 0.544 37 HB3 HIS 9 2HB HIS 9 2.460 -9.198 -0.327 38 HD1 HIS 9 1HD HIS 9 -0.115 -6.509 -0.989 39 HD2 HIS 9 2HD HIS 9 0.308 -10.056 1.133 40 HE1 HIS 9 1HE HIS 9 -2.412 -7.049 -0.119 41 H SER 10 H SER 10 4.791 -6.791 2.015 42 HA SER 10 HA SER 10 4.383 -9.015 3.770 43 HB3 SER 10 2HB SER 10 6.203 -7.882 5.125 44 HG SER 10 HG SER 10 7.696 -8.599 3.745 45 H ASP 11 H ASP 11 3.751 -5.547 3.924 46 HA ASP 11 HA ASP 11 2.330 -5.972 6.470 47 HB3 ASP 11 2HB ASP 11 2.644 -3.577 6.897 48 H CYS 12 H CYS 12 2.038 -5.000 3.178 49 HA CYS 12 HA CYS 12 -0.285 -3.445 3.276 50 HB3 CYS 12 2HB CYS 12 -0.542 -3.946 0.925 51 H ALA 13 H ALA 13 -2.471 -3.946 2.990 52 HA ALA 13 HA ALA 13 -3.226 -6.767 3.304 53 HB1 ALA 13 1HB ALA 13 -4.132 -4.469 5.019 54 HB2 ALA 13 2HB ALA 13 -5.015 -5.993 4.917 55 HB3 ALA 13 3HB ALA 13 -3.359 -5.972 5.524 56 H SER 14 H SER 14 -5.590 -7.108 2.894 57 HA SER 14 HA SER 14 -7.334 -7.035 1.433 58 HB3 SER 14 2HB SER 14 -8.266 -4.732 0.967 59 HG SER 14 HG SER 14 -9.168 -5.304 2.783 60 H HIS 15 H HIS 15 -4.813 -7.419 0.274 61 HA HIS 15 HA HIS 15 -3.730 -7.412 -1.729 62 HB3 HIS 15 2HB HIS 15 -5.119 -7.320 -3.729 63 HD1 HIS 15 1HD HIS 15 -4.486 -9.511 -1.484 64 HD2 HIS 15 2HD HIS 15 -8.182 -8.706 -3.202 65 HE1 HIS 15 1HE HIS 15 -5.833 -11.615 -1.197 66 H CYS 16 H CYS 16 -3.267 -5.142 -0.305 67 HA CYS 16 HA CYS 16 -3.618 -2.872 -2.104 68 HB3 CYS 16 2HB CYS 16 -2.251 -1.791 -0.088 69 H ILE 17 H ILE 17 -2.051 -2.055 -3.355 70 HA ILE 17 HA ILE 17 0.221 -3.463 -4.039 71 HB ILE 17 HB ILE 17 0.994 -1.511 -5.208 72 HG13 ILE 17 2HG1 ILE 17 -0.628 -0.104 -3.161 73 HG21 ILE 17 1HG2 ILE 17 -1.411 -2.696 -5.626 74 HG22 ILE 17 2HG2 ILE 17 -1.876 -0.998 -5.531 75 HG23 ILE 17 3HG2 ILE 17 -0.673 -1.518 -6.712 76 HD11 ILE 17 3HD1 ILE 17 1.531 1.246 -4.642 77 HD12 ILE 17 1HD1 ILE 17 1.164 1.234 -2.917 78 HD13 ILE 17 2HD1 ILE 17 2.000 -0.135 -3.651 79 H CYS 18 H CYS 18 2.497 -2.910 -3.759 80 HA CYS 18 HA CYS 18 3.165 -1.433 -1.332 81 HB3 CYS 18 2HB CYS 18 4.778 -3.522 -0.901 82 H THR 19 H THR 19 4.819 -0.139 -1.747 83 HA THR 19 HA THR 19 6.887 -1.020 -3.638 84 HB THR 19 HB THR 19 7.001 1.222 -4.630 85 HG1 THR 19 1HG THR 19 4.655 1.747 -3.091 86 HG21 THR 19 3HG2 THR 19 5.121 -0.720 -5.160 87 HG22 THR 19 1HG2 THR 19 5.495 0.659 -6.193 88 HG23 THR 19 2HG2 THR 19 4.153 0.749 -5.052 89 H PHE 20 H PHE 20 8.632 0.965 -3.598 90 HA PHE 20 HA PHE 20 9.909 0.738 -1.113 91 HB3 PHE 20 2HB PHE 20 11.260 1.175 -3.020 92 HD1 PHE 20 1HD PHE 20 9.597 4.479 -2.542 93 HD2 PHE 20 2HD PHE 20 10.893 1.476 -5.265 94 HE1 PHE 20 1HE PHE 20 8.895 5.892 -4.430 95 HE2 PHE 20 2HE PHE 20 10.194 2.885 -7.157 96 HZ PHE 20 HZ PHE 20 9.194 5.096 -6.742 97 H ARG 21 H ARG 21 7.427 2.833 -2.167 98 HA ARG 21 HA ARG 21 7.930 4.711 0.034 99 HB3 ARG 21 2HB ARG 21 7.615 5.896 -1.986 100 HG3 ARG 21 2HG ARG 21 5.142 4.251 -2.479 101 HD3 ARG 21 2HD ARG 21 4.697 6.441 -3.265 102 HE ARG 21 HE ARG 21 7.162 6.702 -4.797 103 HH11 ARG 21 1HH1 ARG 21 5.261 7.651 -2.040 104 HH12 ARG 21 2HH1 ARG 21 6.159 9.105 -1.756 105 HH21 ARG 21 1HH2 ARG 21 8.353 8.614 -4.434 106 HH22 ARG 21 2HH2 ARG 21 7.917 9.652 -3.119 107 H GLY 22 H GLY 22 6.857 1.977 0.353 108 HA2 GLY 22 2HA GLY 22 5.381 1.116 1.936 109 HA3 GLY 22 3HA GLY 22 4.606 2.691 2.030 110 H CYS 23 H CYS 23 2.709 1.138 2.094 111 HA CYS 23 HA CYS 23 1.944 0.036 -0.480 112 HB3 CYS 23 2HB CYS 23 0.060 -0.912 0.663 113 H GLY 24 H GLY 24 -0.742 0.416 -0.601 114 HA2 GLY 24 2HA GLY 24 -1.497 3.155 -0.263 115 HA3 GLY 24 3HA GLY 24 -1.066 2.798 -1.929 116 H ALA 25 H ALA 25 -3.635 3.625 -1.015 117 HA ALA 25 HA ALA 25 -5.233 1.187 -1.425 118 HB1 ALA 25 1HB ALA 25 -6.762 1.956 0.023 119 HB2 ALA 25 2HB ALA 25 -5.467 3.019 0.573 120 HB3 ALA 25 3HB ALA 25 -6.657 3.606 -0.588 121 H VAL 26 H VAL 26 -7.489 1.874 -2.442 122 HA VAL 26 HA VAL 26 -7.099 2.375 -5.121 123 HB VAL 26 HB VAL 26 -9.566 3.040 -5.146 124 HG11 VAL 26 1HG1 VAL 26 -10.107 0.850 -5.291 125 HG12 VAL 26 2HG1 VAL 26 -8.361 0.636 -5.148 126 HG13 VAL 26 3HG1 VAL 26 -9.392 0.458 -3.727 127 HG21 VAL 26 3HG2 VAL 26 -9.387 2.226 -2.247 128 HG22 VAL 26 1HG2 VAL 26 -9.594 3.883 -2.816 129 HG23 VAL 26 2HG2 VAL 26 -10.843 2.679 -3.135 130 H ASN 27 H ASN 27 -6.611 4.122 -6.270 131 HA ASN 27 HA ASN 27 -5.977 6.290 -6.679 132 HB3 ASN 27 2HB ASN 27 -8.389 6.223 -7.275 133 HD21 ASN 27 1HD2 ASN 27 -9.775 5.047 -5.969 134 HD22 ASN 27 2HD2 ASN 27 -10.642 5.766 -4.659 135 H GLY 28 H GLY 28 -5.103 5.432 -4.132 136 HA2 GLY 28 2HA GLY 28 -4.173 6.308 -2.226 137 HA3 GLY 28 3HA GLY 28 -4.406 7.889 -2.957 138 H LEU 29 H LEU 29 -5.559 5.613 -0.654 139 HA LEU 29 HA LEU 29 -7.331 7.634 0.453 140 HB3 LEU 29 2HB LEU 29 -8.789 5.246 0.682 141 HG LEU 29 HG LEU 29 -9.409 7.843 -0.006 142 HD11 LEU 29 1HD1 LEU 29 -9.585 6.077 -2.391 143 HD12 LEU 29 2HD1 LEU 29 -9.215 7.798 -2.281 144 HD13 LEU 29 3HD1 LEU 29 -10.879 7.241 -2.106 145 HD21 LEU 29 3HD2 LEU 29 -11.388 5.631 -0.361 146 HD22 LEU 29 1HD2 LEU 29 -11.587 7.203 0.413 147 HD23 LEU 29 2HD2 LEU 29 -10.672 5.933 1.223 148 HA PRO 30 HA PRO 30 -5.902 6.080 4.301 149 HB3 PRO 30 2HB PRO 30 -7.024 7.822 5.295 150 HG3 PRO 30 2HG PRO 30 -9.091 8.529 4.497 151 HD3 PRO 30 2HD PRO 30 -7.892 8.503 2.529 Start of MODEL 15 1 H1 SER 1 H SER 1 -6.988 4.086 2.593 2 HA SER 1 HA SER 1 -7.423 2.762 5.054 3 HB3 SER 1 2HB SER 1 -7.273 1.467 2.326 4 HG SER 1 HG SER 1 -9.071 0.271 3.432 5 H CYS 2 H CYS 2 -4.808 2.698 2.723 6 HA CYS 2 HA CYS 2 -3.309 0.935 4.545 7 HB3 CYS 2 2HB CYS 2 -2.080 0.272 2.328 8 H ASN 3 H ASN 3 -2.082 2.441 5.562 9 HA ASN 3 HA ASN 3 -0.264 4.012 3.864 10 HB3 ASN 3 2HB ASN 3 -1.761 5.649 4.679 11 HD21 ASN 3 1HD2 ASN 3 -3.663 4.713 5.477 12 HD22 ASN 3 2HD2 ASN 3 -3.952 4.565 7.174 13 H ASN 4 H ASN 4 0.972 1.950 4.338 14 HA ASN 4 HA ASN 4 2.632 2.414 6.705 15 HB3 ASN 4 2HB ASN 4 1.405 0.672 7.607 16 HD21 ASN 4 1HD2 ASN 4 2.309 -1.162 4.757 17 HD22 ASN 4 2HD2 ASN 4 0.707 -1.652 4.334 18 H SER 5 H SER 5 4.635 0.919 6.586 19 HA SER 5 HA SER 5 5.737 1.224 3.899 20 HB3 SER 5 2HB SER 5 6.909 2.126 5.965 21 HG SER 5 HG SER 5 7.975 -0.400 6.398 22 H CYS 6 H CYS 6 6.557 -0.436 2.692 23 HA CYS 6 HA CYS 6 6.824 -3.098 3.737 24 HB3 CYS 6 2HB CYS 6 4.473 -3.240 3.453 25 H GLN 7 H GLN 7 7.300 -4.667 1.855 26 HA GLN 7 HA GLN 7 8.639 -3.280 -0.356 27 HB3 GLN 7 2HB GLN 7 10.615 -4.713 -0.105 28 HG3 GLN 7 2HG GLN 7 11.277 -3.951 2.312 29 HE21 GLN 7 1HE2 GLN 7 12.913 -3.675 0.663 30 HE22 GLN 7 2HE2 GLN 7 13.097 -2.134 -0.098 31 H SER 8 H SER 8 7.507 -6.355 0.977 32 HA SER 8 HA SER 8 6.860 -7.209 -1.761 33 HB3 SER 8 2HB SER 8 7.443 -9.550 -1.084 34 HG SER 8 HG SER 8 8.966 -7.961 -2.101 35 H HIS 9 H HIS 9 4.877 -6.057 -0.649 36 HA HIS 9 HA HIS 9 2.768 -6.215 0.206 37 HB3 HIS 9 2HB HIS 9 1.718 -8.557 -0.147 38 HD1 HIS 9 1HD HIS 9 -0.005 -7.818 -1.742 39 HD2 HIS 9 2HD HIS 9 3.816 -6.862 -3.062 40 HE1 HIS 9 1HE HIS 9 -0.323 -6.720 -3.982 41 H SER 10 H SER 10 4.817 -6.441 2.122 42 HA SER 10 HA SER 10 4.196 -8.610 3.911 43 HB3 SER 10 2HB SER 10 5.761 -7.386 5.464 44 HG SER 10 HG SER 10 6.679 -8.891 4.105 45 H ASP 11 H ASP 11 4.193 -5.103 4.530 46 HA ASP 11 HA ASP 11 2.330 -5.327 6.663 47 HB3 ASP 11 2HB ASP 11 2.250 -2.790 6.441 48 H CYS 12 H CYS 12 2.030 -4.881 3.241 49 HA CYS 12 HA CYS 12 -0.423 -3.643 2.990 50 HB3 CYS 12 2HB CYS 12 -0.598 -5.364 0.949 51 H ALA 13 H ALA 13 -2.543 -4.267 3.068 52 HA ALA 13 HA ALA 13 -3.218 -7.043 3.615 53 HB1 ALA 13 1HB ALA 13 -2.920 -6.454 5.844 54 HB2 ALA 13 2HB ALA 13 -3.573 -4.833 5.604 55 HB3 ALA 13 3HB ALA 13 -4.652 -6.227 5.594 56 H SER 14 H SER 14 -5.653 -7.298 3.794 57 HA SER 14 HA SER 14 -7.652 -7.169 2.707 58 HB3 SER 14 2HB SER 14 -8.606 -4.804 2.573 59 HG SER 14 HG SER 14 -9.166 -5.098 4.578 60 H HIS 15 H HIS 15 -5.415 -7.424 1.012 61 HA HIS 15 HA HIS 15 -4.883 -7.371 -1.199 62 HB3 HIS 15 2HB HIS 15 -7.467 -6.023 -1.874 63 HD1 HIS 15 1HD HIS 15 -4.659 -6.742 -3.442 64 HD2 HIS 15 2HD HIS 15 -8.374 -8.571 -3.782 65 HE1 HIS 15 1HE HIS 15 -4.665 -7.838 -5.706 66 H CYS 16 H CYS 16 -3.488 -5.572 -0.154 67 HA CYS 16 HA CYS 16 -4.029 -3.028 -1.542 68 HB3 CYS 16 2HB CYS 16 -2.240 -2.249 0.270 69 H ILE 17 H ILE 17 -2.395 -2.057 -2.710 70 HA ILE 17 HA ILE 17 -0.326 -3.836 -3.657 71 HB ILE 17 HB ILE 17 -1.395 -1.193 -4.508 72 HG13 ILE 17 2HG1 ILE 17 -0.537 -3.614 -6.103 73 HG21 ILE 17 1HG2 ILE 17 0.865 -0.572 -4.497 74 HG22 ILE 17 2HG2 ILE 17 1.394 -2.161 -5.048 75 HG23 ILE 17 3HG2 ILE 17 0.552 -1.079 -6.157 76 HD11 ILE 17 3HD1 ILE 17 -2.266 -4.345 -4.585 77 HD12 ILE 17 1HD1 ILE 17 -3.271 -2.966 -5.029 78 HD13 ILE 17 2HD1 ILE 17 -2.908 -4.213 -6.222 79 H CYS 18 H CYS 18 1.834 -3.683 -3.313 80 HA CYS 18 HA CYS 18 2.742 -1.574 -1.464 81 HB3 CYS 18 2HB CYS 18 4.565 -3.481 -1.015 82 H THR 19 H THR 19 4.519 -0.429 -1.997 83 HA THR 19 HA THR 19 6.260 -1.360 -4.144 84 HB THR 19 HB THR 19 6.127 0.756 -5.372 85 HG1 THR 19 1HG THR 19 4.413 2.217 -4.818 86 HG21 THR 19 3HG2 THR 19 3.846 0.478 -6.309 87 HG22 THR 19 1HG2 THR 19 3.463 -0.611 -4.977 88 HG23 THR 19 2HG2 THR 19 4.713 -1.049 -6.142 89 H PHE 20 H PHE 20 7.892 0.679 -4.542 90 HA PHE 20 HA PHE 20 9.523 0.761 -2.285 91 HB3 PHE 20 2HB PHE 20 10.219 1.200 -4.668 92 HD1 PHE 20 2HD PHE 20 8.185 1.949 -5.992 93 HD2 PHE 20 1HD PHE 20 10.590 4.613 -3.704 94 HE1 PHE 20 2HE PHE 20 7.303 3.849 -7.283 95 HE2 PHE 20 1HE PHE 20 9.711 6.517 -4.991 96 HZ PHE 20 HZ PHE 20 8.064 6.137 -6.783 97 H ARG 21 H ARG 21 6.828 2.727 -3.174 98 HA ARG 21 HA ARG 21 7.489 4.756 -1.177 99 HB3 ARG 21 2HB ARG 21 5.185 5.662 -2.103 100 HG3 ARG 21 2HG ARG 21 6.673 6.292 -4.303 101 HD3 ARG 21 2HD ARG 21 5.614 7.697 -2.390 102 HE ARG 21 HE ARG 21 8.119 7.059 -1.172 103 HH11 ARG 21 1HH1 ARG 21 5.710 9.547 -1.529 104 HH12 ARG 21 2HH1 ARG 21 6.097 10.318 -0.026 105 HH21 ARG 21 1HH2 ARG 21 8.638 8.065 0.807 106 HH22 ARG 21 2HH2 ARG 21 7.763 9.475 1.301 107 H GLY 22 H GLY 22 6.695 1.951 -0.529 108 HA2 GLY 22 2HA GLY 22 5.626 1.137 1.380 109 HA3 GLY 22 3HA GLY 22 4.735 2.647 1.497 110 H CYS 23 H CYS 23 2.904 1.236 1.970 111 HA CYS 23 HA CYS 23 1.830 -0.177 -0.362 112 HB3 CYS 23 2HB CYS 23 0.062 -0.866 1.435 113 H GLY 24 H GLY 24 -0.025 0.425 -1.379 114 HA2 GLY 24 2HA GLY 24 -1.227 2.966 -0.474 115 HA3 GLY 24 3HA GLY 24 -1.118 2.464 -2.155 116 H ALA 25 H ALA 25 -3.518 3.230 -1.501 117 HA ALA 25 HA ALA 25 -5.022 0.725 -1.139 118 HB1 ALA 25 1HB ALA 25 -5.021 2.813 0.669 119 HB2 ALA 25 2HB ALA 25 -6.491 3.072 -0.268 120 HB3 ALA 25 3HB ALA 25 -6.229 1.533 0.551 121 H VAL 26 H VAL 26 -7.525 1.485 -1.674 122 HA VAL 26 HA VAL 26 -7.656 1.632 -4.442 123 HB VAL 26 HB VAL 26 -10.068 2.303 -4.095 124 HG11 VAL 26 1HG1 VAL 26 -9.337 -0.035 -4.261 125 HG12 VAL 26 2HG1 VAL 26 -9.083 -0.072 -2.514 126 HG13 VAL 26 3HG1 VAL 26 -10.707 0.149 -3.168 127 HG21 VAL 26 3HG2 VAL 26 -9.097 3.086 -1.583 128 HG22 VAL 26 1HG2 VAL 26 -10.769 3.097 -2.143 129 HG23 VAL 26 2HG2 VAL 26 -10.135 1.689 -1.290 130 H ASN 27 H ASN 27 -7.135 3.235 -5.763 131 HA ASN 27 HA ASN 27 -6.798 5.311 -6.628 132 HB3 ASN 27 2HB ASN 27 -8.502 7.087 -5.718 133 HD21 ASN 27 1HD2 ASN 27 -8.269 7.047 -8.033 134 HD22 ASN 27 2HD2 ASN 27 -9.403 6.162 -8.989 135 H GLY 28 H GLY 28 -5.358 4.498 -4.196 136 HA2 GLY 28 2HA GLY 28 -3.843 5.404 -2.729 137 HA3 GLY 28 3HA GLY 28 -3.954 6.871 -3.691 138 H LEU 29 H LEU 29 -6.232 5.141 -1.562 139 HA LEU 29 HA LEU 29 -6.727 7.700 -0.196 140 HB3 LEU 29 2HB LEU 29 -8.753 6.022 0.579 141 HG LEU 29 HG LEU 29 -9.212 8.284 -0.163 142 HD11 LEU 29 1HD1 LEU 29 -8.083 8.920 -1.993 143 HD12 LEU 29 2HD1 LEU 29 -9.476 8.278 -2.862 144 HD13 LEU 29 3HD1 LEU 29 -8.033 7.286 -2.658 145 HD21 LEU 29 3HD2 LEU 29 -11.175 7.721 -1.735 146 HD22 LEU 29 1HD2 LEU 29 -11.161 7.017 -0.118 147 HD23 LEU 29 2HD2 LEU 29 -10.680 6.044 -1.507 148 HA PRO 30 HA PRO 30 -5.248 6.172 3.641 149 HB3 PRO 30 2HB PRO 30 -5.848 8.187 4.569 150 HG3 PRO 30 2HG PRO 30 -7.804 9.267 3.928 151 HD3 PRO 30 2HD PRO 30 -6.895 8.831 1.856 Start of MODEL 16 1 H1 SER 1 H SER 1 -6.415 4.310 2.140 2 HA SER 1 HA SER 1 -7.521 2.687 4.209 3 HB3 SER 1 2HB SER 1 -6.517 1.621 1.579 4 HG SER 1 HG SER 1 -8.517 0.415 1.845 5 H CYS 2 H CYS 2 -4.507 2.463 2.320 6 HA CYS 2 HA CYS 2 -3.292 1.050 4.596 7 HB3 CYS 2 2HB CYS 2 -2.167 -0.485 3.127 8 H ASN 3 H ASN 3 -2.050 2.689 5.353 9 HA ASN 3 HA ASN 3 -0.096 3.846 3.475 10 HB3 ASN 3 2HB ASN 3 -0.087 5.862 4.963 11 HD21 ASN 3 1HD2 ASN 3 -0.677 5.381 2.393 12 HD22 ASN 3 2HD2 ASN 3 -2.152 6.161 1.946 13 H ASN 4 H ASN 4 1.158 1.912 4.122 14 HA ASN 4 HA ASN 4 2.772 2.536 6.483 15 HB3 ASN 4 2HB ASN 4 1.493 0.886 7.490 16 HD21 ASN 4 1HD2 ASN 4 2.364 -1.724 5.583 17 HD22 ASN 4 2HD2 ASN 4 0.827 -2.044 4.864 18 H SER 5 H SER 5 4.674 0.785 6.504 19 HA SER 5 HA SER 5 5.917 1.032 3.873 20 HB3 SER 5 2HB SER 5 8.012 0.403 5.105 21 HG SER 5 HG SER 5 7.871 2.380 6.517 22 H CYS 6 H CYS 6 6.746 -0.686 2.719 23 HA CYS 6 HA CYS 6 6.871 -3.346 3.656 24 HB3 CYS 6 2HB CYS 6 4.490 -3.384 3.636 25 H GLN 7 H GLN 7 6.967 -4.910 1.654 26 HA GLN 7 HA GLN 7 8.212 -3.528 -0.618 27 HB3 GLN 7 2HB GLN 7 9.412 -6.054 0.470 28 HG3 GLN 7 2HG GLN 7 10.534 -3.753 -1.109 29 HE21 GLN 7 1HE2 GLN 7 12.415 -3.333 -0.100 30 HE22 GLN 7 2HE2 GLN 7 13.652 -4.505 0.189 31 H SER 8 H SER 8 6.905 -6.563 0.655 32 HA SER 8 HA SER 8 5.777 -7.109 -1.994 33 HB3 SER 8 2HB SER 8 6.621 -9.262 -2.157 34 HG SER 8 HG SER 8 8.393 -7.807 -2.208 35 H HIS 9 H HIS 9 4.106 -6.052 -0.390 36 HA HIS 9 HA HIS 9 2.186 -6.258 0.816 37 HB3 HIS 9 2HB HIS 9 1.995 -9.143 0.055 38 HD1 HIS 9 1HD HIS 9 0.079 -8.961 1.917 39 HD2 HIS 9 2HD HIS 9 -0.488 -6.683 -1.512 40 HE1 HIS 9 1HE HIS 9 -2.353 -8.328 1.926 41 H SER 10 H SER 10 4.691 -6.865 2.159 42 HA SER 10 HA SER 10 4.192 -9.082 3.928 43 HB3 SER 10 2HB SER 10 6.274 -6.894 4.145 44 HG SER 10 HG SER 10 7.152 -8.107 5.668 45 H ASP 11 H ASP 11 3.739 -5.621 3.966 46 HA ASP 11 HA ASP 11 2.638 -5.827 6.693 47 HB3 ASP 11 2HB ASP 11 3.275 -3.587 7.119 48 H CYS 12 H CYS 12 2.057 -4.947 3.408 49 HA CYS 12 HA CYS 12 -0.140 -3.249 3.667 50 HB3 CYS 12 2HB CYS 12 -0.701 -3.859 1.392 51 H ALA 13 H ALA 13 -2.425 -3.811 3.102 52 HA ALA 13 HA ALA 13 -3.277 -6.477 3.907 53 HB1 ALA 13 1HB ALA 13 -4.943 -5.460 5.519 54 HB2 ALA 13 2HB ALA 13 -3.258 -5.471 6.041 55 HB3 ALA 13 3HB ALA 13 -3.983 -3.984 5.430 56 H SER 14 H SER 14 -5.771 -6.586 3.801 57 HA SER 14 HA SER 14 -7.582 -6.588 2.416 58 HB3 SER 14 2HB SER 14 -7.560 -4.218 3.510 59 HG SER 14 HG SER 14 -6.752 -2.687 2.337 60 H HIS 15 H HIS 15 -4.999 -7.133 1.211 61 HA HIS 15 HA HIS 15 -4.119 -7.542 -0.846 62 HB3 HIS 15 2HB HIS 15 -6.720 -6.595 -2.041 63 HD1 HIS 15 1HD HIS 15 -4.709 -9.795 -2.377 64 HD2 HIS 15 2HD HIS 15 -5.971 -6.559 -4.657 65 HE1 HIS 15 1HE HIS 15 -4.034 -10.332 -4.738 66 H CYS 16 H CYS 16 -3.766 -4.966 0.365 67 HA CYS 16 HA CYS 16 -3.995 -2.956 -1.674 68 HB3 CYS 16 2HB CYS 16 -2.355 -1.772 0.033 69 H ILE 17 H ILE 17 -2.330 -1.992 -2.852 70 HA ILE 17 HA ILE 17 -0.237 -3.771 -3.656 71 HB ILE 17 HB ILE 17 -1.352 -2.256 -5.253 72 HG13 ILE 17 2HG1 ILE 17 0.515 -2.037 -6.559 73 HG21 ILE 17 1HG2 ILE 17 0.005 -0.119 -3.627 74 HG22 ILE 17 2HG2 ILE 17 -0.624 0.149 -5.251 75 HG23 ILE 17 3HG2 ILE 17 -1.719 -0.307 -3.946 76 HD11 ILE 17 3HD1 ILE 17 1.818 -0.796 -4.179 77 HD12 ILE 17 1HD1 ILE 17 2.794 -1.425 -5.508 78 HD13 ILE 17 2HD1 ILE 17 1.609 -0.153 -5.808 79 H CYS 18 H CYS 18 1.983 -3.527 -3.425 80 HA CYS 18 HA CYS 18 2.849 -1.576 -1.393 81 HB3 CYS 18 2HB CYS 18 4.652 -3.517 -1.014 82 H THR 19 H THR 19 4.721 -0.486 -1.770 83 HA THR 19 HA THR 19 6.411 -1.275 -4.017 84 HB THR 19 HB THR 19 6.403 1.299 -4.613 85 HG1 THR 19 1HG THR 19 4.927 2.035 -3.128 86 HG21 THR 19 3HG2 THR 19 4.942 -1.009 -5.576 87 HG22 THR 19 1HG2 THR 19 5.740 0.274 -6.485 88 HG23 THR 19 2HG2 THR 19 4.083 0.492 -5.921 89 H PHE 20 H PHE 20 8.269 0.475 -4.187 90 HA PHE 20 HA PHE 20 9.802 0.282 -1.875 91 HB3 PHE 20 2HB PHE 20 10.779 0.672 -4.085 92 HD1 PHE 20 2HD PHE 20 9.205 1.241 -5.861 93 HD2 PHE 20 1HD PHE 20 10.708 4.194 -3.190 94 HE1 PHE 20 2HE PHE 20 8.444 3.010 -7.394 95 HE2 PHE 20 1HE PHE 20 9.948 5.968 -4.717 96 HZ PHE 20 HZ PHE 20 8.816 5.377 -6.823 97 H ARG 21 H ARG 21 7.405 2.602 -2.773 98 HA ARG 21 HA ARG 21 8.211 4.428 -0.633 99 HB3 ARG 21 2HB ARG 21 6.106 5.680 -1.648 100 HG3 ARG 21 2HG ARG 21 7.746 6.370 -3.640 101 HD3 ARG 21 2HD ARG 21 8.790 7.967 -2.094 102 HE ARG 21 HE ARG 21 6.072 7.801 -2.477 103 HH11 ARG 21 1HH1 ARG 21 8.201 9.023 -0.008 104 HH12 ARG 21 2HH1 ARG 21 7.106 10.264 0.505 105 HH21 ARG 21 1HH2 ARG 21 4.622 9.431 -1.811 106 HH22 ARG 21 2HH2 ARG 21 5.071 10.495 -0.520 107 H GLY 22 H GLY 22 6.984 1.725 -0.229 108 HA2 GLY 22 2HA GLY 22 5.682 0.958 1.550 109 HA3 GLY 22 3HA GLY 22 5.023 2.576 1.735 110 H CYS 23 H CYS 23 3.131 0.927 2.033 111 HA CYS 23 HA CYS 23 1.973 -0.081 -0.395 112 HB3 CYS 23 2HB CYS 23 0.131 -0.801 0.993 113 H GLY 24 H GLY 24 -0.418 0.484 -0.830 114 HA2 GLY 24 2HA GLY 24 -1.087 3.269 -0.319 115 HA3 GLY 24 3HA GLY 24 -0.741 2.867 -1.994 116 H ALA 25 H ALA 25 -3.156 3.871 -1.534 117 HA ALA 25 HA ALA 25 -4.933 1.523 -1.673 118 HB1 ALA 25 1HB ALA 25 -6.513 2.485 -0.342 119 HB2 ALA 25 2HB ALA 25 -5.067 3.208 0.365 120 HB3 ALA 25 3HB ALA 25 -6.044 4.127 -0.780 121 H VAL 26 H VAL 26 -7.113 2.226 -2.731 122 HA VAL 26 HA VAL 26 -6.412 3.472 -5.280 123 HB VAL 26 HB VAL 26 -8.435 2.491 -6.168 124 HG11 VAL 26 1HG1 VAL 26 -6.760 0.624 -4.506 125 HG12 VAL 26 2HG1 VAL 26 -7.959 0.063 -5.673 126 HG13 VAL 26 3HG1 VAL 26 -6.579 1.020 -6.214 127 HG21 VAL 26 3HG2 VAL 26 -9.585 0.843 -4.400 128 HG22 VAL 26 1HG2 VAL 26 -9.066 2.121 -3.301 129 HG23 VAL 26 2HG2 VAL 26 -10.128 2.502 -4.657 130 H ASN 27 H ASN 27 -7.914 4.962 -6.304 131 HA ASN 27 HA ASN 27 -9.029 6.947 -6.329 132 HB3 ASN 27 2HB ASN 27 -10.743 6.424 -4.022 133 HD21 ASN 27 1HD2 ASN 27 -12.908 5.497 -5.563 134 HD22 ASN 27 2HD2 ASN 27 -13.363 6.756 -6.656 135 H GLY 28 H GLY 28 -6.679 6.634 -4.543 136 HA2 GLY 28 2HA GLY 28 -5.534 7.861 -2.976 137 HA3 GLY 28 3HA GLY 28 -6.609 9.178 -3.422 138 H LEU 29 H LEU 29 -7.079 6.082 -1.718 139 HA LEU 29 HA LEU 29 -8.605 7.524 0.324 140 HB3 LEU 29 2HB LEU 29 -8.986 5.004 1.035 141 HG LEU 29 HG LEU 29 -10.440 6.691 -0.831 142 HD11 LEU 29 1HD1 LEU 29 -10.652 5.167 -2.471 143 HD12 LEU 29 2HD1 LEU 29 -11.820 4.435 -1.371 144 HD13 LEU 29 3HD1 LEU 29 -10.167 3.825 -1.434 145 HD21 LEU 29 3HD2 LEU 29 -11.023 4.827 1.431 146 HD22 LEU 29 1HD2 LEU 29 -12.334 5.405 0.402 147 HD23 LEU 29 2HD2 LEU 29 -11.338 6.557 1.291 148 HA PRO 30 HA PRO 30 -5.590 7.107 3.483 149 HB3 PRO 30 2HB PRO 30 -7.087 8.106 4.912 150 HG3 PRO 30 2HG PRO 30 -9.359 7.625 4.796 151 HD3 PRO 30 2HD PRO 30 -8.936 8.082 2.578 Start of MODEL 17 1 H1 SER 1 H SER 1 -6.944 3.865 2.858 2 HA SER 1 HA SER 1 -7.238 2.104 4.995 3 HB3 SER 1 2HB SER 1 -6.772 1.616 2.052 4 HG SER 1 HG SER 1 -7.843 -0.511 3.031 5 H CYS 2 H CYS 2 -4.709 1.763 2.510 6 HA CYS 2 HA CYS 2 -2.949 0.640 4.580 7 HB3 CYS 2 2HB CYS 2 -1.775 -0.500 2.820 8 H ASN 3 H ASN 3 -1.624 2.118 5.409 9 HA ASN 3 HA ASN 3 -0.146 3.850 3.552 10 HB3 ASN 3 2HB ASN 3 -0.443 5.777 4.890 11 HD21 ASN 3 1HD2 ASN 3 -3.201 4.195 6.245 12 HD22 ASN 3 2HD2 ASN 3 -4.367 4.818 5.132 13 H ASN 4 H ASN 4 0.635 1.368 4.754 14 HA ASN 4 HA ASN 4 2.698 2.267 6.654 15 HB3 ASN 4 2HB ASN 4 1.568 0.622 7.818 16 HD21 ASN 4 1HD2 ASN 4 2.285 -1.528 5.146 17 HD22 ASN 4 2HD2 ASN 4 0.659 -2.052 4.885 18 H SER 5 H SER 5 4.823 1.343 6.457 19 HA SER 5 HA SER 5 5.728 1.270 3.751 20 HB3 SER 5 2HB SER 5 7.960 0.688 4.895 21 HG SER 5 HG SER 5 7.973 2.775 4.603 22 H CYS 6 H CYS 6 6.663 -0.433 2.612 23 HA CYS 6 HA CYS 6 6.857 -3.073 3.683 24 HB3 CYS 6 2HB CYS 6 4.503 -3.203 3.454 25 H GLN 7 H GLN 7 7.149 -4.685 1.731 26 HA GLN 7 HA GLN 7 8.579 -3.336 -0.449 27 HB3 GLN 7 2HB GLN 7 10.308 -3.965 1.089 28 HG3 GLN 7 2HG GLN 7 9.445 -6.831 0.968 29 HE21 GLN 7 1HE2 GLN 7 9.972 -6.976 3.812 30 HE22 GLN 7 2HE2 GLN 7 11.689 -6.931 3.997 31 H SER 8 H SER 8 7.345 -6.443 0.756 32 HA SER 8 HA SER 8 6.402 -7.029 -1.962 33 HB3 SER 8 2HB SER 8 7.648 -9.122 -0.172 34 HG SER 8 HG SER 8 7.563 -9.434 -2.904 35 H HIS 9 H HIS 9 4.635 -5.976 -0.380 36 HA HIS 9 HA HIS 9 2.583 -6.252 0.562 37 HB3 HIS 9 2HB HIS 9 2.722 -9.191 -0.057 38 HD1 HIS 9 1HD HIS 9 0.267 -6.729 -1.443 39 HD2 HIS 9 2HD HIS 9 0.476 -9.606 1.546 40 HE1 HIS 9 1HE HIS 9 -2.099 -7.049 -0.653 41 H SER 10 H SER 10 5.020 -6.623 2.136 42 HA SER 10 HA SER 10 4.582 -8.729 4.014 43 HB3 SER 10 2HB SER 10 6.452 -6.410 3.799 44 HG SER 10 HG SER 10 7.204 -6.797 5.883 45 H ASP 11 H ASP 11 4.122 -5.205 4.124 46 HA ASP 11 HA ASP 11 2.561 -5.521 6.588 47 HB3 ASP 11 2HB ASP 11 2.758 -3.051 6.768 48 H CYS 12 H CYS 12 2.248 -4.908 3.233 49 HA CYS 12 HA CYS 12 -0.167 -3.432 3.251 50 HB3 CYS 12 2HB CYS 12 -0.297 -3.914 0.906 51 H ALA 13 H ALA 13 -2.292 -4.161 2.697 52 HA ALA 13 HA ALA 13 -2.923 -6.964 2.769 53 HB1 ALA 13 1HB ALA 13 -2.674 -6.708 5.120 54 HB2 ALA 13 2HB ALA 13 -3.614 -5.215 5.119 55 HB3 ALA 13 3HB ALA 13 -4.405 -6.755 4.783 56 H SER 14 H SER 14 -5.307 -7.326 2.635 57 HA SER 14 HA SER 14 -7.315 -6.956 1.635 58 HB3 SER 14 2HB SER 14 -6.858 -4.008 2.110 59 HG SER 14 HG SER 14 -9.234 -4.335 2.550 60 H HIS 15 H HIS 15 -5.347 -7.383 -0.113 61 HA HIS 15 HA HIS 15 -4.634 -7.075 -2.257 62 HB3 HIS 15 2HB HIS 15 -6.343 -6.351 -3.856 63 HD1 HIS 15 1HD HIS 15 -5.717 -8.960 -1.842 64 HD2 HIS 15 2HD HIS 15 -9.310 -7.611 -3.433 65 HE1 HIS 15 1HE HIS 15 -7.250 -10.953 -1.824 66 H CYS 16 H CYS 16 -3.478 -5.261 -0.643 67 HA CYS 16 HA CYS 16 -3.727 -2.669 -2.001 68 HB3 CYS 16 2HB CYS 16 -2.069 -2.106 0.025 69 H ILE 17 H ILE 17 -2.085 -1.812 -3.158 70 HA ILE 17 HA ILE 17 0.054 -3.540 -3.961 71 HB ILE 17 HB ILE 17 -1.026 -1.984 -5.541 72 HG13 ILE 17 2HG1 ILE 17 0.882 -1.697 -6.771 73 HG21 ILE 17 1HG2 ILE 17 -1.462 -0.089 -4.175 74 HG22 ILE 17 2HG2 ILE 17 0.249 0.110 -3.794 75 HG23 ILE 17 3HG2 ILE 17 -0.334 0.429 -5.428 76 HD11 ILE 17 3HD1 ILE 17 2.090 -0.527 -4.305 77 HD12 ILE 17 1HD1 ILE 17 3.115 -1.091 -5.625 78 HD13 ILE 17 2HD1 ILE 17 1.921 0.175 -5.914 79 H CYS 18 H CYS 18 2.242 -3.331 -3.588 80 HA CYS 18 HA CYS 18 3.014 -1.427 -1.474 81 HB3 CYS 18 2HB CYS 18 4.827 -3.360 -1.100 82 H THR 19 H THR 19 4.812 -0.235 -1.794 83 HA THR 19 HA THR 19 6.681 -0.955 -3.912 84 HB THR 19 HB THR 19 6.542 1.595 -4.593 85 HG1 THR 19 1HG THR 19 4.272 2.215 -4.560 86 HG21 THR 19 3HG2 THR 19 5.374 -0.839 -5.593 87 HG22 THR 19 1HG2 THR 19 6.055 0.521 -6.486 88 HG23 THR 19 2HG2 THR 19 4.359 0.543 -6.002 89 H PHE 20 H PHE 20 8.421 0.920 -4.019 90 HA PHE 20 HA PHE 20 9.862 0.879 -1.669 91 HB3 PHE 20 2HB PHE 20 10.697 1.508 -3.972 92 HD1 PHE 20 2HD PHE 20 8.633 2.441 -5.222 93 HD2 PHE 20 1HD PHE 20 11.199 4.793 -2.775 94 HE1 PHE 20 2HE PHE 20 7.861 4.473 -6.372 95 HE2 PHE 20 1HE PHE 20 10.431 6.830 -3.921 96 HZ PHE 20 HZ PHE 20 8.760 6.672 -5.722 97 H ARG 21 H ARG 21 7.346 3.075 -2.665 98 HA ARG 21 HA ARG 21 7.831 4.811 -0.363 99 HB3 ARG 21 2HB ARG 21 7.422 6.010 -2.386 100 HG3 ARG 21 2HG ARG 21 5.205 4.078 -2.767 101 HD3 ARG 21 2HD ARG 21 4.098 6.294 -2.633 102 HE ARG 21 HE ARG 21 6.240 7.301 -4.005 103 HH11 ARG 21 1HH1 ARG 21 2.796 7.214 -4.500 104 HH12 ARG 21 2HH1 ARG 21 2.752 8.712 -5.371 105 HH21 ARG 21 1HH2 ARG 21 6.196 9.273 -5.150 106 HH22 ARG 21 2HH2 ARG 21 4.687 9.881 -5.741 107 H GLY 22 H GLY 22 7.041 2.245 0.321 108 HA2 GLY 22 2HA GLY 22 5.571 1.215 1.757 109 HA3 GLY 22 3HA GLY 22 4.797 2.779 1.969 110 H CYS 23 H CYS 23 2.974 1.066 2.083 111 HA CYS 23 HA CYS 23 2.039 0.072 -0.451 112 HB3 CYS 23 2HB CYS 23 0.206 -0.859 0.773 113 H GLY 24 H GLY 24 -0.423 0.500 -0.904 114 HA2 GLY 24 2HA GLY 24 -1.262 3.220 -0.367 115 HA3 GLY 24 3HA GLY 24 -0.795 2.916 -2.033 116 H ALA 25 H ALA 25 -3.413 3.626 -0.850 117 HA ALA 25 HA ALA 25 -4.977 1.230 -1.505 118 HB1 ALA 25 1HB ALA 25 -5.222 2.968 0.594 119 HB2 ALA 25 2HB ALA 25 -6.455 3.549 -0.525 120 HB3 ALA 25 3HB ALA 25 -6.480 1.873 0.021 121 H VAL 26 H VAL 26 -7.047 1.634 -2.700 122 HA VAL 26 HA VAL 26 -6.577 2.635 -5.238 123 HB VAL 26 HB VAL 26 -9.018 2.563 -5.584 124 HG11 VAL 26 1HG1 VAL 26 -8.609 0.121 -4.001 125 HG12 VAL 26 2HG1 VAL 26 -9.010 0.317 -5.709 126 HG13 VAL 26 3HG1 VAL 26 -7.338 0.479 -5.168 127 HG21 VAL 26 3HG2 VAL 26 -10.260 3.156 -3.814 128 HG22 VAL 26 1HG2 VAL 26 -10.085 1.473 -3.315 129 HG23 VAL 26 2HG2 VAL 26 -9.004 2.705 -2.662 130 H ASN 27 H ASN 27 -6.582 4.597 -6.131 131 HA ASN 27 HA ASN 27 -6.735 6.852 -6.378 132 HB3 ASN 27 2HB ASN 27 -8.776 7.945 -5.621 133 HD21 ASN 27 1HD2 ASN 27 -10.931 5.770 -5.346 134 HD22 ASN 27 2HD2 ASN 27 -11.128 5.206 -6.967 135 H GLY 28 H GLY 28 -5.300 5.609 -4.034 136 HA2 GLY 28 2HA GLY 28 -4.095 6.319 -2.214 137 HA3 GLY 28 3HA GLY 28 -4.268 7.931 -2.892 138 H LEU 29 H LEU 29 -6.011 5.514 -0.959 139 HA LEU 29 HA LEU 29 -7.216 7.743 0.545 140 HB3 LEU 29 2HB LEU 29 -8.842 5.534 0.964 141 HG LEU 29 HG LEU 29 -9.346 8.081 0.236 142 HD11 LEU 29 1HD1 LEU 29 -10.219 6.465 -2.145 143 HD12 LEU 29 2HD1 LEU 29 -8.774 7.474 -2.139 144 HD13 LEU 29 3HD1 LEU 29 -10.360 8.205 -1.899 145 HD21 LEU 29 3HD2 LEU 29 -11.538 7.567 0.634 146 HD22 LEU 29 1HD2 LEU 29 -10.762 6.130 1.300 147 HD23 LEU 29 2HD2 LEU 29 -11.477 6.078 -0.311 148 HA PRO 30 HA PRO 30 -5.585 6.068 4.258 149 HB3 PRO 30 2HB PRO 30 -6.614 7.790 5.377 150 HG3 PRO 30 2HG PRO 30 -8.728 8.534 4.753 151 HD3 PRO 30 2HD PRO 30 -7.679 8.550 2.701 Start of MODEL 18 1 H1 SER 1 H SER 1 -6.624 3.901 2.835 2 HA SER 1 HA SER 1 -7.031 2.541 5.342 3 HB3 SER 1 2HB SER 1 -6.663 1.243 2.641 4 HG SER 1 HG SER 1 -8.555 0.358 4.438 5 H CYS 2 H CYS 2 -4.739 1.954 2.668 6 HA CYS 2 HA CYS 2 -2.873 0.791 4.606 7 HB3 CYS 2 2HB CYS 2 -1.749 -0.204 2.699 8 H ASN 3 H ASN 3 -2.006 2.657 5.515 9 HA ASN 3 HA ASN 3 -0.327 4.254 3.694 10 HB3 ASN 3 2HB ASN 3 -1.338 5.373 6.286 11 HD21 ASN 3 1HD2 ASN 3 -1.053 7.543 6.422 12 HD22 ASN 3 2HD2 ASN 3 -0.214 8.478 5.236 13 H ASN 4 H ASN 4 1.066 2.283 4.351 14 HA ASN 4 HA ASN 4 2.816 3.184 6.504 15 HB3 ASN 4 2HB ASN 4 1.546 1.624 7.739 16 HD21 ASN 4 1HD2 ASN 4 2.767 -1.143 6.322 17 HD22 ASN 4 2HD2 ASN 4 1.306 -1.748 5.624 18 H SER 5 H SER 5 4.762 1.472 6.565 19 HA SER 5 HA SER 5 5.753 1.407 3.813 20 HB3 SER 5 2HB SER 5 7.165 2.565 5.425 21 HG SER 5 HG SER 5 7.951 0.362 6.824 22 H CYS 6 H CYS 6 6.580 -0.432 2.851 23 HA CYS 6 HA CYS 6 6.643 -2.946 4.269 24 HB3 CYS 6 2HB CYS 6 4.340 -3.058 3.811 25 H GLN 7 H GLN 7 6.868 -4.753 2.357 26 HA GLN 7 HA GLN 7 8.909 -3.694 0.516 27 HB3 GLN 7 2HB GLN 7 10.310 -4.947 1.778 28 HG3 GLN 7 2HG GLN 7 9.443 -7.149 2.883 29 HE21 GLN 7 1HE2 GLN 7 7.784 -6.426 5.012 30 HE22 GLN 7 2HE2 GLN 7 8.568 -5.182 5.920 31 H SER 8 H SER 8 6.977 -6.654 1.014 32 HA SER 8 HA SER 8 5.960 -6.432 -1.708 33 HB3 SER 8 2HB SER 8 7.686 -7.814 -2.347 34 HG SER 8 HG SER 8 8.051 -9.659 -0.559 35 H HIS 9 H HIS 9 4.071 -5.949 -0.350 36 HA HIS 9 HA HIS 9 2.061 -6.497 0.562 37 HB3 HIS 9 2HB HIS 9 1.343 -8.963 0.094 38 HD1 HIS 9 1HD HIS 9 -0.685 -8.231 -1.111 39 HD2 HIS 9 2HD HIS 9 2.777 -6.807 -2.912 40 HE1 HIS 9 1HE HIS 9 -1.450 -7.032 -3.185 41 H SER 10 H SER 10 4.559 -6.853 2.113 42 HA SER 10 HA SER 10 4.111 -9.117 3.836 43 HB3 SER 10 2HB SER 10 6.044 -8.343 5.063 44 HG SER 10 HG SER 10 6.340 -9.186 2.859 45 H ASP 11 H ASP 11 4.141 -5.593 4.402 46 HA ASP 11 HA ASP 11 2.581 -5.965 6.831 47 HB3 ASP 11 2HB ASP 11 3.022 -3.641 7.282 48 H CYS 12 H CYS 12 2.176 -4.907 3.551 49 HA CYS 12 HA CYS 12 -0.192 -3.415 3.834 50 HB3 CYS 12 2HB CYS 12 -0.464 -3.685 1.454 51 H ALA 13 H ALA 13 -2.303 -4.173 2.756 52 HA ALA 13 HA ALA 13 -2.986 -6.934 2.906 53 HB1 ALA 13 1HB ALA 13 -4.757 -6.346 4.791 54 HB2 ALA 13 2HB ALA 13 -3.137 -6.930 5.178 55 HB3 ALA 13 3HB ALA 13 -3.497 -5.205 5.264 56 H SER 14 H SER 14 -5.334 -7.285 2.550 57 HA SER 14 HA SER 14 -7.250 -6.911 1.381 58 HB3 SER 14 2HB SER 14 -6.897 -3.953 1.822 59 HG SER 14 HG SER 14 -9.129 -5.704 1.745 60 H HIS 15 H HIS 15 -5.124 -7.318 -0.187 61 HA HIS 15 HA HIS 15 -4.223 -6.992 -2.256 62 HB3 HIS 15 2HB HIS 15 -5.827 -6.140 -3.981 63 HD1 HIS 15 1HD HIS 15 -4.982 -8.857 -3.760 64 HD2 HIS 15 2HD HIS 15 -8.756 -7.763 -2.413 65 HE1 HIS 15 1HE HIS 15 -6.320 -10.986 -3.707 66 H CYS 16 H CYS 16 -3.247 -5.167 -0.533 67 HA CYS 16 HA CYS 16 -3.410 -2.569 -1.891 68 HB3 CYS 16 2HB CYS 16 -1.918 -2.010 0.260 69 H ILE 17 H ILE 17 -1.931 -2.238 -3.405 70 HA ILE 17 HA ILE 17 0.356 -3.763 -3.836 71 HB ILE 17 HB ILE 17 -0.683 -2.295 -5.539 72 HG13 ILE 17 2HG1 ILE 17 2.251 -1.766 -5.017 73 HG21 ILE 17 1HG2 ILE 17 0.799 0.037 -4.418 74 HG22 ILE 17 2HG2 ILE 17 -0.594 0.002 -5.496 75 HG23 ILE 17 3HG2 ILE 17 -0.798 -0.362 -3.783 76 HD11 ILE 17 3HD1 ILE 17 0.921 -3.936 -6.622 77 HD12 ILE 17 1HD1 ILE 17 2.651 -3.594 -6.601 78 HD13 ILE 17 2HD1 ILE 17 1.842 -4.141 -5.131 79 H CYS 18 H CYS 18 2.538 -3.452 -3.418 80 HA CYS 18 HA CYS 18 3.186 -1.410 -1.396 81 HB3 CYS 18 2HB CYS 18 4.952 -3.311 -0.740 82 H THR 19 H THR 19 4.344 0.032 -2.528 83 HA THR 19 HA THR 19 6.500 -0.972 -4.265 84 HB THR 19 HB THR 19 5.913 1.875 -4.513 85 HG1 THR 19 1HG THR 19 3.829 1.767 -4.854 86 HG21 THR 19 3HG2 THR 19 5.524 0.870 -6.953 87 HG22 THR 19 1HG2 THR 19 6.395 -0.488 -6.245 88 HG23 THR 19 2HG2 THR 19 7.135 1.113 -6.281 89 H PHE 20 H PHE 20 8.116 1.157 -4.490 90 HA PHE 20 HA PHE 20 9.722 1.058 -2.227 91 HB3 PHE 20 2HB PHE 20 10.705 1.731 -4.290 92 HD1 PHE 20 1HD PHE 20 9.123 4.970 -3.428 93 HD2 PHE 20 2HD PHE 20 9.637 1.923 -6.355 94 HE1 PHE 20 1HE PHE 20 7.992 6.384 -5.094 95 HE2 PHE 20 2HE PHE 20 8.508 3.333 -8.026 96 HZ PHE 20 HZ PHE 20 7.682 5.567 -7.396 97 H ARG 21 H ARG 21 6.988 3.062 -2.930 98 HA ARG 21 HA ARG 21 7.560 4.805 -0.646 99 HB3 ARG 21 2HB ARG 21 6.912 6.018 -2.595 100 HG3 ARG 21 2HG ARG 21 4.790 3.958 -2.851 101 HD3 ARG 21 2HD ARG 21 3.708 6.259 -2.602 102 HE ARG 21 HE ARG 21 5.456 6.891 -4.757 103 HH11 ARG 21 1HH1 ARG 21 2.256 7.454 -3.508 104 HH12 ARG 21 2HH1 ARG 21 2.085 8.996 -4.279 105 HH21 ARG 21 1HH2 ARG 21 5.243 8.920 -5.777 106 HH22 ARG 21 2HH2 ARG 21 3.784 9.828 -5.570 107 H GLY 22 H GLY 22 7.035 2.235 0.117 108 HA2 GLY 22 2HA GLY 22 5.730 1.035 1.574 109 HA3 GLY 22 3HA GLY 22 4.924 2.552 1.943 110 H CYS 23 H CYS 23 3.061 1.054 2.174 111 HA CYS 23 HA CYS 23 1.955 -0.230 -0.106 112 HB3 CYS 23 2HB CYS 23 -0.024 -0.559 1.265 113 H GLY 24 H GLY 24 -0.585 0.421 -0.436 114 HA2 GLY 24 2HA GLY 24 -1.140 3.206 -0.569 115 HA3 GLY 24 3HA GLY 24 -0.584 2.615 -2.128 116 H ALA 25 H ALA 25 -3.264 3.530 -0.827 117 HA ALA 25 HA ALA 25 -4.894 1.216 -1.609 118 HB1 ALA 25 1HB ALA 25 -5.086 2.781 0.599 119 HB2 ALA 25 2HB ALA 25 -6.260 3.550 -0.471 120 HB3 ALA 25 3HB ALA 25 -6.415 1.837 -0.078 121 H VAL 26 H VAL 26 -7.068 1.898 -2.634 122 HA VAL 26 HA VAL 26 -6.575 2.940 -5.174 123 HB VAL 26 HB VAL 26 -9.080 3.121 -5.364 124 HG11 VAL 26 1HG1 VAL 26 -9.311 0.860 -5.689 125 HG12 VAL 26 2HG1 VAL 26 -7.552 1.003 -5.634 126 HG13 VAL 26 3HG1 VAL 26 -8.437 0.448 -4.213 127 HG21 VAL 26 3HG2 VAL 26 -9.650 1.626 -2.969 128 HG22 VAL 26 1HG2 VAL 26 -8.935 3.189 -2.574 129 HG23 VAL 26 2HG2 VAL 26 -10.391 3.111 -3.566 130 H ASN 27 H ASN 27 -6.305 4.948 -5.877 131 HA ASN 27 HA ASN 27 -6.298 7.218 -5.999 132 HB3 ASN 27 2HB ASN 27 -8.313 8.402 -5.334 133 HD21 ASN 27 1HD2 ASN 27 -7.889 7.754 -7.677 134 HD22 ASN 27 2HD2 ASN 27 -9.078 6.730 -8.400 135 H GLY 28 H GLY 28 -4.910 5.885 -3.811 136 HA2 GLY 28 2HA GLY 28 -3.679 6.486 -1.968 137 HA3 GLY 28 3HA GLY 28 -4.101 8.150 -2.345 138 H LEU 29 H LEU 29 -6.640 5.868 -1.794 139 HA LEU 29 HA LEU 29 -7.827 7.378 0.241 140 HB3 LEU 29 2HB LEU 29 -8.177 4.485 -0.519 141 HG LEU 29 HG LEU 29 -9.161 5.424 1.823 142 HD11 LEU 29 1HD1 LEU 29 -11.493 5.991 1.532 143 HD12 LEU 29 2HD1 LEU 29 -11.330 5.883 -0.221 144 HD13 LEU 29 3HD1 LEU 29 -10.482 7.149 0.668 145 HD21 LEU 29 3HD2 LEU 29 -11.119 3.692 1.088 146 HD22 LEU 29 1HD2 LEU 29 -9.519 3.213 1.650 147 HD23 LEU 29 2HD2 LEU 29 -9.856 3.298 -0.079 148 HA PRO 30 HA PRO 30 -5.485 6.269 3.810 149 HB3 PRO 30 2HB PRO 30 -6.354 8.165 4.775 150 HG3 PRO 30 2HG PRO 30 -8.510 8.883 4.279 151 HD3 PRO 30 2HD PRO 30 -7.694 8.576 2.145 Start of MODEL 19 1 H1 SER 1 H SER 1 -6.335 4.399 1.767 2 HA SER 1 HA SER 1 -7.533 2.743 3.708 3 HB3 SER 1 2HB SER 1 -6.211 1.722 1.197 4 HG SER 1 HG SER 1 -8.539 0.683 1.467 5 H CYS 2 H CYS 2 -4.268 2.759 2.311 6 HA CYS 2 HA CYS 2 -3.337 1.276 4.670 7 HB3 CYS 2 2HB CYS 2 -1.893 -0.121 3.295 8 H ASN 3 H ASN 3 -1.804 2.384 5.670 9 HA ASN 3 HA ASN 3 0.081 3.970 4.069 10 HB3 ASN 3 2HB ASN 3 -0.905 4.991 6.716 11 HD21 ASN 3 1HD2 ASN 3 -0.034 6.890 7.209 12 HD22 ASN 3 2HD2 ASN 3 0.949 7.842 6.154 13 H ASN 4 H ASN 4 1.056 1.701 4.628 14 HA ASN 4 HA ASN 4 2.719 2.085 7.021 15 HB3 ASN 4 2HB ASN 4 1.371 0.381 7.822 16 HD21 ASN 4 1HD2 ASN 4 2.305 -1.136 4.763 17 HD22 ASN 4 2HD2 ASN 4 0.714 -1.658 4.336 18 H SER 5 H SER 5 4.627 0.431 6.920 19 HA SER 5 HA SER 5 5.869 0.806 4.303 20 HB3 SER 5 2HB SER 5 7.229 1.597 6.093 21 HG SER 5 HG SER 5 7.177 -0.935 7.336 22 H CYS 6 H CYS 6 6.760 -0.855 3.099 23 HA CYS 6 HA CYS 6 6.768 -3.571 3.981 24 HB3 CYS 6 2HB CYS 6 4.430 -3.568 3.605 25 H GLN 7 H GLN 7 7.453 -5.064 2.228 26 HA GLN 7 HA GLN 7 8.904 -3.645 0.095 27 HB3 GLN 7 2HB GLN 7 10.706 -5.363 0.349 28 HG3 GLN 7 2HG GLN 7 10.135 -3.662 2.762 29 HE21 GLN 7 1HE2 GLN 7 13.205 -3.941 1.253 30 HE22 GLN 7 2HE2 GLN 7 14.001 -4.796 2.525 31 H SER 8 H SER 8 7.477 -6.706 1.154 32 HA SER 8 HA SER 8 6.934 -7.332 -1.669 33 HB3 SER 8 2HB SER 8 7.728 -9.371 0.423 34 HG SER 8 HG SER 8 6.732 -10.529 -1.063 35 H HIS 9 H HIS 9 5.004 -6.070 -0.495 36 HA HIS 9 HA HIS 9 2.834 -6.120 0.188 37 HB3 HIS 9 2HB HIS 9 2.677 -9.020 -0.552 38 HD1 HIS 9 1HD HIS 9 0.339 -9.213 0.415 39 HD2 HIS 9 2HD HIS 9 0.765 -6.021 -2.209 40 HE1 HIS 9 1HE HIS 9 -1.994 -8.373 -0.006 41 H SER 10 H SER 10 4.741 -6.615 2.195 42 HA SER 10 HA SER 10 3.874 -8.834 3.809 43 HB3 SER 10 2HB SER 10 5.602 -8.273 5.268 44 HG SER 10 HG SER 10 7.328 -7.451 3.909 45 H ASP 11 H ASP 11 3.935 -5.328 4.473 46 HA ASP 11 HA ASP 11 1.929 -5.587 6.512 47 HB3 ASP 11 2HB ASP 11 2.055 -3.027 6.455 48 H CYS 12 H CYS 12 1.969 -4.901 3.125 49 HA CYS 12 HA CYS 12 -0.336 -3.432 2.751 50 HB3 CYS 12 2HB CYS 12 -0.478 -5.012 0.597 51 H ALA 13 H ALA 13 -2.500 -3.864 2.614 52 HA ALA 13 HA ALA 13 -3.484 -6.578 2.856 53 HB1 ALA 13 1HB ALA 13 -3.284 -6.322 5.143 54 HB2 ALA 13 2HB ALA 13 -3.658 -4.599 5.089 55 HB3 ALA 13 3HB ALA 13 -4.941 -5.788 4.857 56 H SER 14 H SER 14 -5.974 -6.521 3.011 57 HA SER 14 HA SER 14 -7.901 -6.048 1.891 58 HB3 SER 14 2HB SER 14 -8.471 -3.533 1.869 59 HG SER 14 HG SER 14 -7.923 -3.957 4.471 60 H HIS 15 H HIS 15 -5.647 -6.487 0.242 61 HA HIS 15 HA HIS 15 -5.038 -6.364 -1.948 62 HB3 HIS 15 2HB HIS 15 -7.428 -4.672 -2.576 63 HD1 HIS 15 1HD HIS 15 -5.875 -8.001 -3.604 64 HD2 HIS 15 2HD HIS 15 -7.332 -4.479 -5.259 65 HE1 HIS 15 1HE HIS 15 -5.621 -8.272 -6.091 66 H CYS 16 H CYS 16 -3.583 -4.732 -0.574 67 HA CYS 16 HA CYS 16 -3.699 -2.110 -1.913 68 HB3 CYS 16 2HB CYS 16 -2.019 -1.576 0.062 69 H ILE 17 H ILE 17 -1.949 -1.357 -3.016 70 HA ILE 17 HA ILE 17 0.017 -3.297 -3.822 71 HB ILE 17 HB ILE 17 -0.944 -1.697 -5.436 72 HG13 ILE 17 2HG1 ILE 17 2.038 -1.395 -5.018 73 HG21 ILE 17 1HG2 ILE 17 -0.968 0.191 -3.721 74 HG22 ILE 17 2HG2 ILE 17 0.724 0.441 -4.151 75 HG23 ILE 17 3HG2 ILE 17 -0.532 0.609 -5.377 76 HD11 ILE 17 3HD1 ILE 17 2.137 -3.572 -5.440 77 HD12 ILE 17 1HD1 ILE 17 0.434 -3.648 -5.891 78 HD13 ILE 17 2HD1 ILE 17 1.641 -3.160 -7.083 79 H CYS 18 H CYS 18 2.223 -3.240 -3.479 80 HA CYS 18 HA CYS 18 3.159 -1.348 -1.421 81 HB3 CYS 18 2HB CYS 18 4.798 -3.416 -0.978 82 H THR 19 H THR 19 4.974 -0.254 -1.862 83 HA THR 19 HA THR 19 6.771 -1.228 -3.959 84 HB THR 19 HB THR 19 6.913 1.101 -4.901 85 HG1 THR 19 1HG THR 19 5.594 1.833 -2.884 86 HG21 THR 19 3HG2 THR 19 4.206 -0.221 -5.121 87 HG22 THR 19 1HG2 THR 19 5.648 -0.707 -6.011 88 HG23 THR 19 2HG2 THR 19 4.931 0.880 -6.291 89 H PHE 20 H PHE 20 8.630 0.603 -4.128 90 HA PHE 20 HA PHE 20 10.132 0.387 -1.800 91 HB3 PHE 20 2HB PHE 20 11.295 0.820 -3.816 92 HD1 PHE 20 1HD PHE 20 9.970 4.242 -3.252 93 HD2 PHE 20 2HD PHE 20 10.438 0.998 -5.968 94 HE1 PHE 20 1HE PHE 20 9.088 5.643 -5.072 95 HE2 PHE 20 2HE PHE 20 9.558 2.394 -7.792 96 HZ PHE 20 HZ PHE 20 8.883 4.721 -7.346 97 H ARG 21 H ARG 21 7.714 2.696 -2.685 98 HA ARG 21 HA ARG 21 8.460 4.492 -0.502 99 HB3 ARG 21 2HB ARG 21 7.928 5.628 -2.535 100 HG3 ARG 21 2HG ARG 21 5.565 3.822 -2.619 101 HD3 ARG 21 2HD ARG 21 4.627 6.102 -2.591 102 HE ARG 21 HE ARG 21 6.758 6.750 -4.329 103 HH11 ARG 21 1HH1 ARG 21 3.374 7.384 -3.806 104 HH12 ARG 21 2HH1 ARG 21 3.422 8.954 -4.537 105 HH21 ARG 21 1HH2 ARG 21 6.833 8.815 -5.295 106 HH22 ARG 21 2HH2 ARG 21 5.389 9.766 -5.386 107 H GLY 22 H GLY 22 7.446 1.824 0.055 108 HA2 GLY 22 2HA GLY 22 6.109 0.946 1.724 109 HA3 GLY 22 3HA GLY 22 5.450 2.554 1.985 110 H CYS 23 H CYS 23 3.580 0.861 2.260 111 HA CYS 23 HA CYS 23 2.359 0.044 -0.229 112 HB3 CYS 23 2HB CYS 23 0.457 -0.624 1.372 113 H GLY 24 H GLY 24 0.651 0.974 -1.252 114 HA2 GLY 24 2HA GLY 24 -0.241 3.574 -0.173 115 HA3 GLY 24 3HA GLY 24 -0.143 3.188 -1.884 116 H ALA 25 H ALA 25 -2.426 4.173 -1.451 117 HA ALA 25 HA ALA 25 -4.283 1.944 -0.921 118 HB1 ALA 25 1HB ALA 25 -4.373 3.884 0.679 119 HB2 ALA 25 2HB ALA 25 -4.953 4.867 -0.666 120 HB3 ALA 25 3HB ALA 25 -5.897 3.483 -0.113 121 H VAL 26 H VAL 26 -6.578 2.820 -1.958 122 HA VAL 26 HA VAL 26 -6.069 3.687 -4.708 123 HB VAL 26 HB VAL 26 -7.682 1.872 -5.489 124 HG11 VAL 26 1HG1 VAL 26 -4.871 1.361 -4.582 125 HG12 VAL 26 2HG1 VAL 26 -5.801 0.114 -5.416 126 HG13 VAL 26 3HG1 VAL 26 -5.479 1.656 -6.212 127 HG21 VAL 26 3HG2 VAL 26 -6.841 0.049 -3.390 128 HG22 VAL 26 1HG2 VAL 26 -7.869 1.348 -2.784 129 HG23 VAL 26 2HG2 VAL 26 -8.439 0.308 -4.088 130 H ASN 27 H ASN 27 -8.108 4.182 -5.881 131 HA ASN 27 HA ASN 27 -10.091 5.280 -6.060 132 HB3 ASN 27 2HB ASN 27 -10.766 4.065 -3.373 133 HD21 ASN 27 1HD2 ASN 27 -13.062 3.625 -3.188 134 HD22 ASN 27 2HD2 ASN 27 -14.188 4.709 -3.926 135 H GLY 28 H GLY 28 -7.722 6.232 -4.286 136 HA2 GLY 28 2HA GLY 28 -7.200 8.229 -3.273 137 HA3 GLY 28 3HA GLY 28 -8.795 8.802 -3.737 138 H LEU 29 H LEU 29 -7.831 6.125 -1.608 139 HA LEU 29 HA LEU 29 -9.290 7.471 0.571 140 HB3 LEU 29 2HB LEU 29 -9.538 5.002 1.389 141 HG LEU 29 HG LEU 29 -11.665 4.721 0.444 142 HD11 LEU 29 1HD1 LEU 29 -12.706 6.847 0.695 143 HD12 LEU 29 2HD1 LEU 29 -11.211 7.693 0.298 144 HD13 LEU 29 3HD1 LEU 29 -11.339 6.794 1.809 145 HD21 LEU 29 3HD2 LEU 29 -11.658 6.661 -1.686 146 HD22 LEU 29 1HD2 LEU 29 -12.099 4.954 -1.722 147 HD23 LEU 29 2HD2 LEU 29 -10.418 5.434 -1.951 148 HA PRO 30 HA PRO 30 -5.753 7.156 3.147 149 HB3 PRO 30 2HB PRO 30 -7.002 8.108 4.824 150 HG3 PRO 30 2HG PRO 30 -9.241 7.552 5.117 151 HD3 PRO 30 2HD PRO 30 -9.238 8.016 2.858 Start of MODEL 20 1 H1 SER 1 H SER 1 -6.351 4.451 2.812 2 HA SER 1 HA SER 1 -6.693 3.147 5.219 3 HB3 SER 1 2HB SER 1 -6.689 2.059 2.400 4 HG SER 1 HG SER 1 -7.247 0.797 4.855 5 H CYS 2 H CYS 2 -4.664 1.761 2.646 6 HA CYS 2 HA CYS 2 -3.028 0.465 4.682 7 HB3 CYS 2 2HB CYS 2 -2.119 -0.858 2.861 8 H ASN 3 H ASN 3 -1.553 1.839 5.505 9 HA ASN 3 HA ASN 3 0.375 3.003 3.628 10 HB3 ASN 3 2HB ASN 3 -0.905 4.915 4.108 11 HD21 ASN 3 1HD2 ASN 3 -2.937 4.699 4.893 12 HD22 ASN 3 2HD2 ASN 3 -3.327 4.710 6.575 13 H ASN 4 H ASN 4 1.944 1.520 4.149 14 HA ASN 4 HA ASN 4 3.129 1.836 6.805 15 HB3 ASN 4 2HB ASN 4 3.368 -0.513 7.173 16 HD21 ASN 4 1HD2 ASN 4 0.883 -1.795 5.630 17 HD22 ASN 4 2HD2 ASN 4 -0.422 -1.338 6.666 18 H SER 5 H SER 5 5.207 0.096 6.619 19 HA SER 5 HA SER 5 6.780 1.298 4.466 20 HB3 SER 5 2HB SER 5 8.700 0.179 5.808 21 HG SER 5 HG SER 5 8.755 1.952 7.171 22 H CYS 6 H CYS 6 4.878 -1.202 4.518 23 HA CYS 6 HA CYS 6 6.279 -3.519 4.004 24 HB3 CYS 6 2HB CYS 6 3.821 -3.394 4.161 25 H GLN 7 H GLN 7 7.395 -4.364 2.322 26 HA GLN 7 HA GLN 7 7.894 -2.573 0.044 27 HB3 GLN 7 2HB GLN 7 9.925 -4.200 -0.222 28 HG3 GLN 7 2HG GLN 7 9.691 -2.104 1.908 29 HE21 GLN 7 1HE2 GLN 7 11.861 -1.122 2.399 30 HE22 GLN 7 2HE2 GLN 7 13.149 -2.216 2.754 31 H SER 8 H SER 8 6.990 -5.830 0.960 32 HA SER 8 HA SER 8 6.016 -6.289 -1.751 33 HB3 SER 8 2HB SER 8 6.998 -8.711 -1.474 34 HG SER 8 HG SER 8 7.634 -7.132 -3.069 35 H HIS 9 H HIS 9 3.985 -5.985 -0.667 36 HA HIS 9 HA HIS 9 2.169 -6.600 0.603 37 HB3 HIS 9 2HB HIS 9 2.000 -8.015 -1.406 38 HD1 HIS 9 1HD HIS 9 4.216 -8.976 -2.375 39 HD2 HIS 9 2HD HIS 9 2.645 -11.139 0.804 40 HE1 HIS 9 1HE HIS 9 5.450 -11.167 -2.378 41 H SER 10 H SER 10 4.479 -6.502 2.192 42 HA SER 10 HA SER 10 4.624 -8.893 3.796 43 HB3 SER 10 2HB SER 10 6.002 -7.238 5.297 44 HG SER 10 HG SER 10 6.980 -8.828 4.013 45 H ASP 11 H ASP 11 3.591 -5.537 4.417 46 HA ASP 11 HA ASP 11 2.017 -6.522 6.698 47 HB3 ASP 11 2HB ASP 11 1.905 -3.871 7.035 48 H CYS 12 H CYS 12 1.808 -5.064 3.578 49 HA CYS 12 HA CYS 12 -0.671 -3.803 3.700 50 HB3 CYS 12 2HB CYS 12 -0.754 -4.042 1.288 51 H ALA 13 H ALA 13 -2.747 -4.518 2.855 52 HA ALA 13 HA ALA 13 -3.286 -7.335 2.644 53 HB1 ALA 13 1HB ALA 13 -4.071 -5.811 5.102 54 HB2 ALA 13 2HB ALA 13 -5.010 -7.197 4.546 55 HB3 ALA 13 3HB ALA 13 -3.310 -7.396 4.973 56 H SER 14 H SER 14 -5.633 -7.750 2.274 57 HA SER 14 HA SER 14 -7.569 -7.351 1.148 58 HB3 SER 14 2HB SER 14 -7.273 -4.433 1.858 59 HG SER 14 HG SER 14 -9.699 -5.573 2.173 60 H HIS 15 H HIS 15 -5.435 -7.567 -0.451 61 HA HIS 15 HA HIS 15 -4.557 -7.059 -2.492 62 HB3 HIS 15 2HB HIS 15 -6.219 -6.076 -4.128 63 HD1 HIS 15 1HD HIS 15 -5.097 -8.799 -3.969 64 HD2 HIS 15 2HD HIS 15 -9.072 -8.027 -3.037 65 HE1 HIS 15 1HE HIS 15 -6.291 -10.996 -4.243 66 H CYS 16 H CYS 16 -3.658 -5.325 -0.623 67 HA CYS 16 HA CYS 16 -3.908 -2.644 -1.792 68 HB3 CYS 16 2HB CYS 16 -2.434 -2.188 0.393 69 H ILE 17 H ILE 17 -2.451 -2.174 -3.294 70 HA ILE 17 HA ILE 17 -0.114 -3.573 -3.835 71 HB ILE 17 HB ILE 17 -0.678 -0.671 -4.453 72 HG13 ILE 17 2HG1 ILE 17 -1.437 -1.541 -6.645 73 HG21 ILE 17 1HG2 ILE 17 0.861 -1.705 -6.486 74 HG22 ILE 17 2HG2 ILE 17 1.434 -0.673 -5.177 75 HG23 ILE 17 3HG2 ILE 17 1.568 -2.426 -5.040 76 HD11 ILE 17 3HD1 ILE 17 -0.175 -3.819 -6.190 77 HD12 ILE 17 1HD1 ILE 17 -1.752 -4.269 -5.544 78 HD13 ILE 17 2HD1 ILE 17 -1.607 -3.726 -7.216 79 H CYS 18 H CYS 18 1.975 -3.429 -3.195 80 HA CYS 18 HA CYS 18 2.625 -1.405 -1.152 81 HB3 CYS 18 2HB CYS 18 4.308 -3.357 -0.454 82 H THR 19 H THR 19 3.824 0.019 -2.280 83 HA THR 19 HA THR 19 6.041 -1.028 -3.910 84 HB THR 19 HB THR 19 5.507 1.820 -4.220 85 HG1 THR 19 1HG THR 19 3.399 1.654 -4.310 86 HG21 THR 19 3HG2 THR 19 6.698 -0.137 -5.673 87 HG22 THR 19 1HG2 THR 19 6.147 1.397 -6.345 88 HG23 THR 19 2HG2 THR 19 5.130 -0.037 -6.473 89 H PHE 20 H PHE 20 7.692 1.076 -4.091 90 HA PHE 20 HA PHE 20 9.155 0.999 -1.710 91 HB3 PHE 20 2HB PHE 20 10.324 1.503 -3.716 92 HD1 PHE 20 1HD PHE 20 8.900 4.879 -3.243 93 HD2 PHE 20 2HD PHE 20 9.328 1.537 -5.845 94 HE1 PHE 20 1HE PHE 20 7.954 6.200 -5.091 95 HE2 PHE 20 2HE PHE 20 8.385 2.853 -7.696 96 HZ PHE 20 HZ PHE 20 7.697 5.188 -7.322 97 H ARG 21 H ARG 21 6.504 2.973 -2.648 98 HA ARG 21 HA ARG 21 7.040 4.953 -0.569 99 HB3 ARG 21 2HB ARG 21 4.656 5.707 -1.583 100 HG3 ARG 21 2HG ARG 21 7.148 6.245 -3.162 101 HD3 ARG 21 2HD ARG 21 4.637 7.768 -2.522 102 HE ARG 21 HE ARG 21 7.159 8.946 -2.887 103 HH11 ARG 21 1HH1 ARG 21 3.901 9.157 -4.094 104 HH12 ARG 21 2HH1 ARG 21 4.021 10.837 -4.501 105 HH21 ARG 21 1HH2 ARG 21 7.330 11.158 -3.418 106 HH22 ARG 21 2HH2 ARG 21 5.973 11.974 -4.116 107 H GLY 22 H GLY 22 6.231 2.060 -0.128 108 HA2 GLY 22 2HA GLY 22 5.133 1.110 1.695 109 HA3 GLY 22 3HA GLY 22 4.300 2.635 1.957 110 H CYS 23 H CYS 23 2.559 0.929 2.341 111 HA CYS 23 HA CYS 23 1.427 -0.456 0.153 112 HB3 CYS 23 2HB CYS 23 -0.562 -0.693 1.615 113 H GLY 24 H GLY 24 -1.010 -0.002 -0.391 114 HA2 GLY 24 2HA GLY 24 -1.623 2.830 -0.627 115 HA3 GLY 24 3HA GLY 24 -1.286 2.001 -2.140 116 H ALA 25 H ALA 25 -3.756 3.274 -1.251 117 HA ALA 25 HA ALA 25 -5.529 0.917 -1.264 118 HB1 ALA 25 1HB ALA 25 -6.961 1.899 0.198 119 HB2 ALA 25 2HB ALA 25 -5.475 2.693 0.718 120 HB3 ALA 25 3HB ALA 25 -6.592 3.531 -0.360 121 H VAL 26 H VAL 26 -7.766 1.515 -2.186 122 HA VAL 26 HA VAL 26 -7.557 2.040 -4.886 123 HB VAL 26 HB VAL 26 -10.045 2.574 -4.772 124 HG11 VAL 26 1HG1 VAL 26 -10.309 0.387 -5.074 125 HG12 VAL 26 2HG1 VAL 26 -8.637 0.174 -4.550 126 HG13 VAL 26 3HG1 VAL 26 -9.952 0.052 -3.380 127 HG21 VAL 26 3HG2 VAL 26 -9.905 1.628 -1.938 128 HG22 VAL 26 1HG2 VAL 26 -9.741 3.344 -2.310 129 HG23 VAL 26 2HG2 VAL 26 -11.206 2.477 -2.771 130 H ASN 27 H ASN 27 -7.512 3.810 -6.145 131 HA ASN 27 HA ASN 27 -7.271 5.989 -6.754 132 HB3 ASN 27 2HB ASN 27 -8.873 7.575 -5.363 133 HD21 ASN 27 1HD2 ASN 27 -10.344 8.327 -6.730 134 HD22 ASN 27 2HD2 ASN 27 -10.972 7.473 -8.094 135 H GLY 28 H GLY 28 -5.611 4.875 -4.543 136 HA2 GLY 28 2HA GLY 28 -4.033 5.592 -3.037 137 HA3 GLY 28 3HA GLY 28 -4.036 7.078 -3.976 138 H LEU 29 H LEU 29 -5.483 5.423 -1.231 139 HA LEU 29 HA LEU 29 -6.013 8.040 -0.025 140 HB3 LEU 29 2HB LEU 29 -8.064 6.412 0.910 141 HG LEU 29 HG LEU 29 -8.085 8.909 0.097 142 HD11 LEU 29 1HD1 LEU 29 -8.691 7.340 -2.352 143 HD12 LEU 29 2HD1 LEU 29 -7.851 8.880 -2.172 144 HD13 LEU 29 3HD1 LEU 29 -9.609 8.815 -2.053 145 HD21 LEU 29 3HD2 LEU 29 -10.490 8.874 0.170 146 HD22 LEU 29 1HD2 LEU 29 -9.864 7.709 1.338 147 HD23 LEU 29 2HD2 LEU 29 -10.515 7.149 -0.202 148 HA PRO 30 HA PRO 30 -4.286 6.367 3.645 149 HB3 PRO 30 2HB PRO 30 -4.635 8.413 4.631 150 HG3 PRO 30 2HG PRO 30 -6.556 9.646 4.188 151 HD3 PRO 30 2HD PRO 30 -5.891 9.161 2.036
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