NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649677 | 6vjq | 30714 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 13.490 -9.044 -0.890 2 H2 CYS 1 HT2 CYS 1 12.856 -9.202 0.678 3 H3 CYS 1 HT3 CYS 1 14.346 -9.918 0.285 4 HA CYS 1 HA CYS 1 14.047 -7.515 1.481 5 HB2 CYS 1 HB2 CYS 1 16.072 -9.121 1.109 6 HB3 CYS 1 HB1 CYS 1 16.395 -8.118 -0.302 7 H CYS 2 HN CYS 2 13.990 -5.381 0.900 8 HA CYS 2 HA CYS 2 13.012 -4.692 -1.684 9 HB2 CYS 2 HB2 CYS 2 13.370 -3.397 0.848 10 HB3 CYS 2 HB1 CYS 2 14.060 -2.378 -0.416 11 H ILE 3 HN ILE 3 16.130 -4.227 -0.060 12 HA ILE 3 HA ILE 3 17.385 -3.883 -2.713 13 HB ILE 3 HB ILE 3 18.918 -2.237 -1.739 14 HG12 ILE 3 HG12 ILE 3 17.181 -2.419 0.741 15 HG13 ILE 3 HG11 ILE 3 18.765 -3.181 0.595 16 HG21 ILE 3 HG21 ILE 3 17.098 -1.156 -2.740 17 HG22 ILE 3 HG22 ILE 3 17.077 -0.490 -1.108 18 HG23 ILE 3 HG23 ILE 3 15.953 -1.774 -1.551 19 HD11 ILE 3 HD11 ILE 3 18.637 -0.310 -0.140 20 HD12 ILE 3 HD12 ILE 3 19.886 -1.193 0.735 21 HD13 ILE 3 HD13 ILE 3 18.421 -0.681 1.570 22 H DBB 4 HN DBB 4 17.096 -5.831 -0.129 23 HA DBB 4 HA DBB 4 19.007 -7.653 -0.584 24 HB2 DBB 4 HB2 DBB 4 18.460 -8.498 1.459 25 HG1 DBB 4 HG1 DBB 4 19.013 -5.804 2.749 26 HG2 DBB 4 HG2 DBB 4 20.241 -7.050 2.522 27 HG3 DBB 4 HG3 DBB 4 18.856 -7.356 3.570 28 H GLY 5 HN GLY 5 19.485 -4.669 1.231 29 HA2 GLY 5 HA2 GLY 5 22.413 -5.056 1.074 30 HA3 GLY 5 HA1 GLY 5 21.681 -3.544 0.549 31 H GLU 6 HN GLU 6 22.078 -2.017 2.020 32 HA GLU 6 HA GLU 6 21.450 -2.597 4.837 33 HB2 GLU 6 HB2 GLU 6 23.988 -1.314 3.805 34 HB3 GLU 6 HB1 GLU 6 23.476 -1.260 5.493 35 HG2 GLU 6 HG2 GLU 6 23.495 -3.704 5.612 36 HG3 GLU 6 HG1 GLU 6 23.916 -3.804 3.902 37 H SER 7 HN SER 7 20.540 -0.904 2.310 38 HA SER 7 HA SER 7 20.510 1.768 3.468 39 HB2 SER 7 HB2 SER 7 18.820 1.247 1.119 40 HB3 SER 7 HB1 SER 7 20.040 2.492 1.379 41 HG SER 7 HG SER 7 20.667 0.957 -0.211 42 HA PRO 8 HA PRO 8 16.434 2.118 5.089 43 HB2 PRO 8 HB2 PRO 8 15.260 3.219 2.578 44 HB3 PRO 8 HB1 PRO 8 15.242 3.888 4.220 45 HG2 PRO 8 HG2 PRO 8 16.820 4.888 2.320 46 HG3 PRO 8 HG1 PRO 8 17.332 4.809 4.015 47 HD2 PRO 8 HD2 PRO 8 18.198 3.123 1.707 48 HD3 PRO 8 HD1 PRO 8 19.108 3.614 3.154 49 H GLY 9 HN GLY 9 16.354 0.970 1.729 50 HA2 GLY 9 HA2 GLY 9 15.575 -1.470 1.668 51 HA3 GLY 9 HA1 GLY 9 14.115 -0.829 2.413 52 H DAL 10 HN DAL 10 12.522 -0.676 0.977 53 HA DAL 10 HA DAL 10 11.464 0.386 -0.860 54 HB1 DAL 10 HB2 DAL 10 13.117 -1.637 -2.347 55 HB2 DAL 10 HB3 DAL 10 11.424 -1.202 -2.582 56 H ALA 11 HN ALA 11 13.535 2.069 -0.275 57 HA ALA 11 HA ALA 11 14.363 3.911 -1.488 58 HB1 ALA 11 HB1 ALA 11 16.651 3.337 -2.231 59 HB2 ALA 11 HB2 ALA 11 16.259 1.625 -2.069 60 HB3 ALA 11 HB3 ALA 11 16.284 2.663 -0.643 61 HA PRO 12 HA PRO 12 12.688 2.553 -5.630 62 HB2 PRO 12 HB2 PRO 12 10.966 4.698 -5.841 63 HB3 PRO 12 HB1 PRO 12 10.524 3.128 -5.146 64 HG2 PRO 12 HG2 PRO 12 11.254 5.664 -3.782 65 HG3 PRO 12 HG1 PRO 12 10.052 4.441 -3.333 66 HD2 PRO 12 HD2 PRO 12 12.489 4.628 -2.114 67 HD3 PRO 12 HD1 PRO 12 11.612 3.093 -2.286 68 H DBB 13 HN DBB 13 14.234 5.234 -4.235 69 HA DBB 13 HA DBB 13 14.504 7.163 -6.151 70 HB2 DBB 13 HB2 DBB 13 15.177 5.314 -7.695 71 HG1 DBB 13 HG1 DBB 13 16.387 3.691 -6.687 72 HG2 DBB 13 HG2 DBB 13 17.017 4.792 -5.462 73 HG3 DBB 13 HG3 DBB 13 17.765 4.729 -7.056 74 H ASN 14 HN ASN 14 15.980 5.109 -3.780 75 HA ASN 14 HA ASN 14 17.872 7.236 -3.007 76 HB2 ASN 14 HB2 ASN 14 15.764 7.405 -1.675 77 HB3 ASN 14 HB1 ASN 14 16.061 5.773 -1.075 78 HD21 ASN 14 HD21 ASN 14 15.980 7.961 0.736 79 HD22 ASN 14 HD22 ASN 14 17.547 8.223 1.347 80 H ASP 15 HN ASP 15 18.356 4.751 -4.372 81 HA ASP 15 HA ASP 15 20.092 3.455 -2.369 82 HB2 ASP 15 HB2 ASP 15 19.535 1.254 -3.246 83 HB3 ASP 15 HB1 ASP 15 18.073 2.060 -2.690 84 H TYR 16 HN TYR 16 20.779 1.440 -4.430 85 HA TYR 16 HA TYR 16 22.955 2.885 -5.620 86 HB2 TYR 16 HB2 TYR 16 23.391 0.595 -6.687 87 HB3 TYR 16 HB1 TYR 16 23.461 0.689 -4.927 88 HD1 TYR 16 HD1 TYR 16 21.491 -0.494 -7.815 89 HD2 TYR 16 HD2 TYR 16 21.729 -0.291 -3.530 90 HE1 TYR 16 HE1 TYR 16 19.712 -2.212 -7.633 91 HE2 TYR 16 HE2 TYR 16 19.949 -2.008 -3.350 92 HH TYR 16 HH TYR 16 19.117 -3.971 -5.010 93 H LYS 17 HN LYS 17 20.337 3.768 -6.484 94 HA LYS 17 HA LYS 17 20.812 3.629 -9.343 95 HB2 LYS 17 HB2 LYS 17 18.305 2.527 -8.080 96 HB3 LYS 17 HB1 LYS 17 18.375 3.041 -9.767 97 HG2 LYS 17 HG2 LYS 17 20.222 1.479 -10.191 98 HG3 LYS 17 HG1 LYS 17 20.212 0.984 -8.497 99 HD2 LYS 17 HD2 LYS 17 17.872 0.190 -8.764 100 HD3 LYS 17 HD1 LYS 17 17.933 0.635 -10.470 101 HE2 LYS 17 HE2 LYS 17 19.868 -1.300 -9.173 102 HE3 LYS 17 HE1 LYS 17 18.410 -1.802 -10.026 103 HZ1 LYS 17 HZ1 LYS 17 20.766 -1.506 -11.209 104 HZ2 LYS 17 HZ2 LYS 17 20.142 0.060 -11.431 105 HZ3 LYS 17 HZ3 LYS 17 19.290 -1.288 -12.018 106 H CYS 18 HN CYS 18 20.585 5.539 -6.941 107 HA CYS 18 HA CYS 18 19.304 7.666 -8.447 108 HB2 CYS 18 HB2 CYS 18 18.109 6.504 -5.965 109 HB3 CYS 18 HB1 CYS 18 18.034 8.249 -6.201 110 H DBB 19 HN DBB 19 22.005 7.102 -7.552 111 HA DBB 19 HA DBB 19 23.030 9.491 -6.860 112 HB2 DBB 19 HB2 DBB 19 23.887 6.811 -5.761 113 HG1 DBB 19 HG1 DBB 19 24.694 8.787 -4.421 114 HG2 DBB 19 HG2 DBB 19 25.485 9.377 -5.882 115 HG3 DBB 19 HG3 DBB 19 25.983 7.844 -5.166 116 H LYS 20 HN LYS 20 21.216 7.383 -4.773 117 HA LYS 20 HA LYS 20 21.774 9.081 -2.437 118 HB2 LYS 20 HB2 LYS 20 19.038 8.553 -3.609 119 HB3 LYS 20 HB1 LYS 20 19.299 9.175 -1.979 120 HG2 LYS 20 HG2 LYS 20 20.530 11.100 -2.899 121 HG3 LYS 20 HG1 LYS 20 20.289 10.478 -4.532 122 HD2 LYS 20 HD2 LYS 20 17.845 10.648 -4.243 123 HD3 LYS 20 HD1 LYS 20 18.083 11.273 -2.609 124 HE2 LYS 20 HE2 LYS 20 19.322 13.200 -3.519 125 HE3 LYS 20 HE1 LYS 20 19.099 12.576 -5.153 126 HZ1 LYS 20 HZ1 LYS 20 17.030 13.354 -5.228 127 HZ2 LYS 20 HZ2 LYS 20 17.408 14.256 -3.840 128 HZ3 LYS 20 HZ3 LYS 20 16.644 12.746 -3.693 129 H GLY 21 HN GLY 21 21.401 8.082 -0.440 130 HA2 GLY 21 HA2 GLY 21 20.361 6.188 0.777 131 HA3 GLY 21 HA1 GLY 21 20.845 5.174 -0.580 132 H ARG 22 HN ARG 22 21.959 3.844 0.993 133 HA ARG 22 HA ARG 22 24.608 4.953 1.697 134 HB2 ARG 22 HB2 ARG 22 22.829 3.171 3.374 135 HB3 ARG 22 HB1 ARG 22 24.534 3.455 3.721 136 HG2 ARG 22 HG2 ARG 22 24.111 5.874 3.885 137 HG3 ARG 22 HG1 ARG 22 22.408 5.608 3.517 138 HD2 ARG 22 HD2 ARG 22 22.198 4.201 5.541 139 HD3 ARG 22 HD1 ARG 22 23.894 4.493 5.914 140 HE ARG 22 HE ARG 22 21.693 6.381 6.226 141 HH11 ARG 22 HH11 ARG 22 25.107 5.823 6.047 142 HH12 ARG 22 HH12 ARG 22 25.526 7.276 6.888 143 HH21 ARG 22 HH21 ARG 22 22.240 8.288 7.328 144 HH22 ARG 22 HH22 ARG 22 23.905 8.672 7.612 145 H GLY 23 HN GLY 23 26.354 3.530 1.541 146 HA2 GLY 23 HA2 GLY 23 26.733 0.946 1.323 147 HA3 GLY 23 HA1 GLY 23 25.865 1.205 -0.187 148 HA PRO 24 HA PRO 24 30.638 2.368 -0.133 149 HB2 PRO 24 HB2 PRO 24 30.882 -0.342 -1.352 150 HB3 PRO 24 HB1 PRO 24 31.965 0.487 -0.219 151 HG2 PRO 24 HG2 PRO 24 30.377 -1.498 0.576 152 HG3 PRO 24 HG1 PRO 24 30.719 -0.104 1.616 153 HD2 PRO 24 HD2 PRO 24 28.230 -0.748 0.090 154 HD3 PRO 24 HD1 PRO 24 28.417 0.093 1.646 155 H GLY 25 HN GLY 25 28.603 0.521 -2.377 156 HA2 GLY 25 HA2 GLY 25 29.400 2.372 -4.537 157 HA3 GLY 25 HA1 GLY 25 29.378 0.633 -4.822 158 H GLY 26 HN GLY 26 27.811 1.232 -6.532 159 HA2 GLY 26 HA2 GLY 26 25.640 1.112 -7.317 160 HA3 GLY 26 HA1 GLY 26 25.137 0.740 -5.671 161 H CYS 27 HN CYS 27 25.225 3.115 -8.109 162 HA CYS 27 HA CYS 27 24.096 5.069 -6.210 163 HB2 CYS 27 HB2 CYS 27 26.230 5.970 -6.730 164 HB3 CYS 27 HB1 CYS 27 26.071 5.555 -8.438 165 H TYR 28 HN TYR 28 24.535 4.976 -9.749 166 HA TYR 28 HA TYR 28 21.679 5.616 -10.033 167 HB2 TYR 28 HB2 TYR 28 23.951 5.737 -12.035 168 HB3 TYR 28 HB1 TYR 28 22.280 6.191 -12.369 169 HD1 TYR 28 HD1 TYR 28 25.422 7.201 -10.859 170 HD2 TYR 28 HD2 TYR 28 21.226 8.087 -11.091 171 HE1 TYR 28 HE1 TYR 28 25.848 9.458 -9.923 172 HE2 TYR 28 HE2 TYR 28 21.650 10.344 -10.155 173 HH TYR 28 HH TYR 28 24.589 11.204 -8.696 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 17.291 -8.014 3.019 2 H2 CYS 1 HT2 CYS 1 15.728 -7.508 2.585 3 H3 CYS 1 HT3 CYS 1 16.768 -6.448 3.410 4 HA CYS 1 HA CYS 1 17.941 -5.905 1.579 5 HB2 CYS 1 HB2 CYS 1 18.160 -8.630 1.355 6 HB3 CYS 1 HB1 CYS 1 17.310 -8.213 -0.123 7 H CYS 2 HN CYS 2 15.678 -4.801 1.921 8 HA CYS 2 HA CYS 2 13.536 -5.340 0.181 9 HB2 CYS 2 HB2 CYS 2 12.617 -3.420 1.004 10 HB3 CYS 2 HB1 CYS 2 13.918 -3.566 2.185 11 H ILE 3 HN ILE 3 16.432 -3.345 -0.207 12 HA ILE 3 HA ILE 3 15.744 -2.976 -3.056 13 HB ILE 3 HB ILE 3 16.098 -0.922 -1.608 14 HG12 ILE 3 HG12 ILE 3 17.664 0.138 -3.303 15 HG13 ILE 3 HG11 ILE 3 17.874 -1.466 -4.004 16 HG21 ILE 3 HG21 ILE 3 18.945 -1.968 -1.669 17 HG22 ILE 3 HG22 ILE 3 17.932 -1.800 -0.236 18 HG23 ILE 3 HG23 ILE 3 18.468 -0.365 -1.110 19 HD11 ILE 3 HD11 ILE 3 16.129 -0.381 -5.254 20 HD12 ILE 3 HD12 ILE 3 15.303 0.117 -3.777 21 HD13 ILE 3 HD13 ILE 3 15.352 -1.587 -4.229 22 H DBB 4 HN DBB 4 17.441 -4.986 -1.157 23 HA DBB 4 HA DBB 4 19.285 -5.679 -3.304 24 HB2 DBB 4 HB2 DBB 4 17.813 -7.262 -1.746 25 HG1 DBB 4 HG1 DBB 4 19.562 -7.710 -3.664 26 HG2 DBB 4 HG2 DBB 4 19.085 -9.024 -2.589 27 HG3 DBB 4 HG3 DBB 4 20.612 -8.181 -2.327 28 H GLY 5 HN GLY 5 19.333 -3.697 -0.634 29 HA2 GLY 5 HA2 GLY 5 22.262 -3.998 -0.311 30 HA3 GLY 5 HA1 GLY 5 21.474 -2.426 -0.417 31 H GLU 6 HN GLU 6 21.329 -1.459 1.497 32 HA GLU 6 HA GLU 6 21.350 -3.029 3.952 33 HB2 GLU 6 HB2 GLU 6 22.780 -1.024 3.762 34 HB3 GLU 6 HB1 GLU 6 21.339 -0.029 3.543 35 HG2 GLU 6 HG2 GLU 6 20.508 -0.717 5.749 36 HG3 GLU 6 HG1 GLU 6 21.921 -1.748 5.970 37 H SER 7 HN SER 7 19.076 -1.762 1.845 38 HA SER 7 HA SER 7 16.807 -1.451 1.951 39 HB2 SER 7 HB2 SER 7 16.520 -2.840 4.544 40 HB3 SER 7 HB1 SER 7 15.689 -3.118 3.016 41 HG SER 7 HG SER 7 18.375 -3.827 3.625 42 HA PRO 8 HA PRO 8 17.569 1.688 5.426 43 HB2 PRO 8 HB2 PRO 8 17.803 3.887 3.785 44 HB3 PRO 8 HB1 PRO 8 19.179 2.931 4.366 45 HG2 PRO 8 HG2 PRO 8 17.809 2.869 1.729 46 HG3 PRO 8 HG1 PRO 8 19.531 2.705 2.114 47 HD2 PRO 8 HD2 PRO 8 17.943 0.564 1.511 48 HD3 PRO 8 HD1 PRO 8 19.349 0.447 2.592 49 H GLY 9 HN GLY 9 15.552 1.384 2.627 50 HA2 GLY 9 HA2 GLY 9 13.135 1.871 3.835 51 HA3 GLY 9 HA1 GLY 9 13.676 3.454 3.286 52 H DAL 10 HN DAL 10 13.749 0.146 1.939 53 HA DAL 10 HA DAL 10 11.957 0.798 -0.200 54 HB1 DAL 10 HB2 DAL 10 12.689 -1.457 -1.083 55 HB2 DAL 10 HB3 DAL 10 12.017 -1.479 0.548 56 H ALA 11 HN ALA 11 13.986 2.681 -0.203 57 HA ALA 11 HA ALA 11 15.465 3.734 -1.602 58 HB1 ALA 11 HB1 ALA 11 17.079 2.067 -1.013 59 HB2 ALA 11 HB2 ALA 11 17.153 2.257 -2.764 60 HB3 ALA 11 HB3 ALA 11 16.317 0.872 -2.063 61 HA PRO 12 HA PRO 12 12.615 2.542 -5.160 62 HB2 PRO 12 HB2 PRO 12 11.102 4.835 -5.091 63 HB3 PRO 12 HB1 PRO 12 10.679 3.348 -4.223 64 HG2 PRO 12 HG2 PRO 12 11.929 5.843 -3.207 65 HG3 PRO 12 HG1 PRO 12 10.752 4.769 -2.433 66 HD2 PRO 12 HD2 PRO 12 13.427 4.758 -1.818 67 HD3 PRO 12 HD1 PRO 12 12.378 3.335 -1.644 68 H DBB 13 HN DBB 13 14.758 4.992 -4.242 69 HA DBB 13 HA DBB 13 14.694 6.595 -6.629 70 HB2 DBB 13 HB2 DBB 13 16.527 5.780 -7.793 71 HG1 DBB 13 HG1 DBB 13 16.410 3.267 -7.819 72 HG2 DBB 13 HG2 DBB 13 14.836 4.048 -7.958 73 HG3 DBB 13 HG3 DBB 13 15.342 3.350 -6.419 74 H ASN 14 HN ASN 14 16.160 5.539 -3.665 75 HA ASN 14 HA ASN 14 17.526 8.151 -3.406 76 HB2 ASN 14 HB2 ASN 14 15.664 8.270 -1.949 77 HB3 ASN 14 HB1 ASN 14 15.877 6.605 -1.409 78 HD21 ASN 14 HD21 ASN 14 16.716 6.543 0.668 79 HD22 ASN 14 HD22 ASN 14 17.856 7.640 1.297 80 H ASP 15 HN ASP 15 17.984 4.895 -3.687 81 HA ASP 15 HA ASP 15 20.703 5.059 -2.732 82 HB2 ASP 15 HB2 ASP 15 19.183 4.535 -0.696 83 HB3 ASP 15 HB1 ASP 15 19.017 2.940 -1.426 84 H TYR 16 HN TYR 16 21.709 2.748 -2.863 85 HA TYR 16 HA TYR 16 22.382 1.062 -4.266 86 HB2 TYR 16 HB2 TYR 16 20.266 0.096 -3.326 87 HB3 TYR 16 HB1 TYR 16 19.417 0.708 -4.746 88 HD1 TYR 16 HD1 TYR 16 22.101 -1.588 -3.601 89 HD2 TYR 16 HD2 TYR 16 19.592 -0.386 -6.873 90 HE1 TYR 16 HE1 TYR 16 22.811 -3.589 -4.881 91 HE2 TYR 16 HE2 TYR 16 20.302 -2.389 -8.153 92 HH TYR 16 HH TYR 16 22.943 -4.167 -7.465 93 H LYS 17 HN LYS 17 19.444 1.864 -6.081 94 HA LYS 17 HA LYS 17 21.177 2.583 -8.366 95 HB2 LYS 17 HB2 LYS 17 19.181 0.648 -8.212 96 HB3 LYS 17 HB1 LYS 17 18.412 1.996 -9.048 97 HG2 LYS 17 HG2 LYS 17 20.200 2.073 -10.685 98 HG3 LYS 17 HG1 LYS 17 21.113 0.849 -9.804 99 HD2 LYS 17 HD2 LYS 17 18.342 0.370 -10.930 100 HD3 LYS 17 HD1 LYS 17 19.825 -0.036 -11.795 101 HE2 LYS 17 HE2 LYS 17 20.515 -1.418 -9.802 102 HE3 LYS 17 HE1 LYS 17 18.910 -1.138 -9.125 103 HZ1 LYS 17 HZ1 LYS 17 18.758 -1.991 -11.833 104 HZ2 LYS 17 HZ2 LYS 17 18.048 -2.673 -10.448 105 HZ3 LYS 17 HZ3 LYS 17 19.627 -3.109 -10.899 106 H CYS 18 HN CYS 18 21.050 4.703 -6.976 107 HA CYS 18 HA CYS 18 19.225 6.454 -8.395 108 HB2 CYS 18 HB2 CYS 18 19.143 6.797 -5.439 109 HB3 CYS 18 HB1 CYS 18 17.922 7.172 -6.655 110 H DBB 19 HN DBB 19 20.048 8.488 -8.621 111 HA DBB 19 HA DBB 19 21.435 10.318 -8.260 112 HB2 DBB 19 HB2 DBB 19 23.540 8.145 -8.253 113 HG1 DBB 19 HG1 DBB 19 23.515 11.066 -8.470 114 HG2 DBB 19 HG2 DBB 19 24.355 10.289 -9.812 115 HG3 DBB 19 HG3 DBB 19 24.865 9.977 -8.153 116 H LYS 20 HN LYS 20 20.502 8.786 -5.806 117 HA LYS 20 HA LYS 20 22.597 9.778 -3.964 118 HB2 LYS 20 HB2 LYS 20 19.597 9.658 -3.562 119 HB3 LYS 20 HB1 LYS 20 20.766 10.183 -2.350 120 HG2 LYS 20 HG2 LYS 20 20.416 11.469 -5.074 121 HG3 LYS 20 HG1 LYS 20 19.739 12.100 -3.572 122 HD2 LYS 20 HD2 LYS 20 22.007 12.290 -2.623 123 HD3 LYS 20 HD1 LYS 20 22.688 11.658 -4.122 124 HE2 LYS 20 HE2 LYS 20 21.755 13.568 -5.365 125 HE3 LYS 20 HE1 LYS 20 21.051 14.199 -3.877 126 HZ1 LYS 20 HZ1 LYS 20 23.226 14.465 -2.948 127 HZ2 LYS 20 HZ2 LYS 20 23.193 15.233 -4.463 128 HZ3 LYS 20 HZ3 LYS 20 23.951 13.723 -4.289 129 H GLY 21 HN GLY 21 23.609 8.211 -2.893 130 HA2 GLY 21 HA2 GLY 21 22.167 6.063 -1.627 131 HA3 GLY 21 HA1 GLY 21 23.149 5.516 -2.983 132 H ARG 22 HN ARG 22 23.163 6.727 0.265 133 HA ARG 22 HA ARG 22 25.919 7.279 0.556 134 HB2 ARG 22 HB2 ARG 22 24.188 7.981 2.183 135 HB3 ARG 22 HB1 ARG 22 23.970 6.295 2.652 136 HG2 ARG 22 HG2 ARG 22 26.331 6.169 3.340 137 HG3 ARG 22 HG1 ARG 22 26.565 7.850 2.859 138 HD2 ARG 22 HD2 ARG 22 26.190 7.748 5.268 139 HD3 ARG 22 HD1 ARG 22 24.816 8.530 4.493 140 HE ARG 22 HE ARG 22 23.491 6.677 5.044 141 HH11 ARG 22 HH11 ARG 22 26.848 6.126 5.696 142 HH12 ARG 22 HH12 ARG 22 26.572 4.689 6.621 143 HH21 ARG 22 HH21 ARG 22 23.126 4.798 6.262 144 HH22 ARG 22 HH22 ARG 22 24.466 3.937 6.942 145 H GLY 23 HN GLY 23 24.026 4.318 1.049 146 HA2 GLY 23 HA2 GLY 23 25.978 2.675 2.154 147 HA3 GLY 23 HA1 GLY 23 24.661 2.108 1.132 148 HA PRO 24 HA PRO 24 28.151 0.633 -1.309 149 HB2 PRO 24 HB2 PRO 24 25.892 0.021 -3.157 150 HB3 PRO 24 HB1 PRO 24 27.195 -1.035 -2.577 151 HG2 PRO 24 HG2 PRO 24 24.709 -1.246 -1.644 152 HG3 PRO 24 HG1 PRO 24 26.121 -1.503 -0.605 153 HD2 PRO 24 HD2 PRO 24 24.259 0.832 -0.708 154 HD3 PRO 24 HD1 PRO 24 25.144 0.153 0.676 155 H GLY 25 HN GLY 25 25.461 2.572 -2.582 156 HA2 GLY 25 HA2 GLY 25 26.067 4.752 -3.575 157 HA3 GLY 25 HA1 GLY 25 27.378 3.913 -4.399 158 H GLY 26 HN GLY 26 26.766 4.298 -6.494 159 HA2 GLY 26 HA2 GLY 26 25.746 3.523 -8.459 160 HA3 GLY 26 HA1 GLY 26 24.508 2.740 -7.480 161 H CYS 27 HN CYS 27 23.893 4.252 -9.769 162 HA CYS 27 HA CYS 27 22.500 6.551 -8.544 163 HB2 CYS 27 HB2 CYS 27 24.416 7.058 -10.216 164 HB3 CYS 27 HB1 CYS 27 23.275 6.510 -11.445 165 H TYR 28 HN TYR 28 20.576 7.239 -9.943 166 HA TYR 28 HA TYR 28 18.483 5.664 -9.900 167 HB2 TYR 28 HB2 TYR 28 17.649 6.635 -12.054 168 HB3 TYR 28 HB1 TYR 28 18.287 7.832 -10.925 169 HD1 TYR 28 HD1 TYR 28 18.936 5.971 -14.048 170 HD2 TYR 28 HD2 TYR 28 20.355 9.009 -11.365 171 HE1 TYR 28 HE1 TYR 28 20.584 6.702 -15.748 172 HE2 TYR 28 HE2 TYR 28 22.003 9.740 -13.064 173 HH TYR 28 HH TYR 28 23.174 8.751 -15.033 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 14.962 -9.706 -0.005 2 H2 CYS 1 HT2 CYS 1 14.305 -8.578 -1.091 3 H3 CYS 1 HT3 CYS 1 13.687 -8.702 0.487 4 HA CYS 1 HA CYS 1 15.245 -7.383 1.348 5 HB2 CYS 1 HB2 CYS 1 16.821 -9.403 0.711 6 HB3 CYS 1 HB1 CYS 1 17.398 -8.291 -0.525 7 H CYS 2 HN CYS 2 14.352 -5.523 0.591 8 HA CYS 2 HA CYS 2 14.177 -4.549 -1.973 9 HB2 CYS 2 HB2 CYS 2 13.154 -3.440 -0.029 10 HB3 CYS 2 HB1 CYS 2 14.752 -2.945 0.532 11 H ILE 3 HN ILE 3 16.567 -3.128 0.223 12 HA ILE 3 HA ILE 3 18.379 -2.718 -2.031 13 HB ILE 3 HB ILE 3 18.781 -1.855 0.834 14 HG12 ILE 3 HG12 ILE 3 17.890 0.380 -0.367 15 HG13 ILE 3 HG11 ILE 3 16.985 -0.809 -1.306 16 HG21 ILE 3 HG21 ILE 3 20.780 -1.553 -0.385 17 HG22 ILE 3 HG22 ILE 3 19.989 0.019 -0.501 18 HG23 ILE 3 HG23 ILE 3 19.918 -1.106 -1.858 19 HD11 ILE 3 HD11 ILE 3 16.848 -1.591 1.434 20 HD12 ILE 3 HD12 ILE 3 15.534 -1.042 0.394 21 HD13 ILE 3 HD13 ILE 3 16.450 0.124 1.347 22 H DBB 4 HN DBB 4 18.223 -4.396 1.061 23 HA DBB 4 HA DBB 4 20.846 -5.620 0.569 24 HB2 DBB 4 HB2 DBB 4 18.923 -7.007 -0.427 25 HG1 DBB 4 HG1 DBB 4 20.795 -8.176 1.649 26 HG2 DBB 4 HG2 DBB 4 21.170 -7.888 -0.050 27 HG3 DBB 4 HG3 DBB 4 19.971 -9.104 0.396 28 H GLY 5 HN GLY 5 18.402 -4.522 2.716 29 HA2 GLY 5 HA2 GLY 5 18.219 -4.487 5.016 30 HA3 GLY 5 HA1 GLY 5 19.287 -5.886 5.070 31 H GLU 6 HN GLU 6 20.353 -3.087 3.339 32 HA GLU 6 HA GLU 6 21.989 -2.218 5.633 33 HB2 GLU 6 HB2 GLU 6 22.983 -2.878 2.854 34 HB3 GLU 6 HB1 GLU 6 23.925 -1.983 4.047 35 HG2 GLU 6 HG2 GLU 6 23.805 -3.863 5.604 36 HG3 GLU 6 HG1 GLU 6 22.777 -4.755 4.483 37 H SER 7 HN SER 7 19.608 -1.268 3.884 38 HA SER 7 HA SER 7 20.652 1.465 3.546 39 HB2 SER 7 HB2 SER 7 20.266 1.470 1.340 40 HB3 SER 7 HB1 SER 7 19.890 -0.248 1.431 41 HG SER 7 HG SER 7 18.252 1.651 0.808 42 HA PRO 8 HA PRO 8 17.070 3.175 5.415 43 HB2 PRO 8 HB2 PRO 8 15.983 4.136 2.811 44 HB3 PRO 8 HB1 PRO 8 16.340 5.049 4.291 45 HG2 PRO 8 HG2 PRO 8 17.911 5.199 2.143 46 HG3 PRO 8 HG1 PRO 8 18.567 5.257 3.787 47 HD2 PRO 8 HD2 PRO 8 18.655 3.025 1.804 48 HD3 PRO 8 HD1 PRO 8 19.825 3.461 3.069 49 H GLY 9 HN GLY 9 16.283 1.594 2.334 50 HA2 GLY 9 HA2 GLY 9 14.791 -0.479 2.962 51 HA3 GLY 9 HA1 GLY 9 13.645 0.804 3.340 52 H DAL 10 HN DAL 10 12.311 -0.187 1.662 53 HA DAL 10 HA DAL 10 11.372 0.571 -0.421 54 HB1 DAL 10 HB2 DAL 10 11.776 -1.255 -1.888 55 HB2 DAL 10 HB3 DAL 10 11.980 -1.911 -0.266 56 H ALA 11 HN ALA 11 12.958 2.628 -0.040 57 HA ALA 11 HA ALA 11 13.881 4.302 -1.359 58 HB1 ALA 11 HB1 ALA 11 15.886 2.094 -1.076 59 HB2 ALA 11 HB2 ALA 11 15.884 3.704 -0.356 60 HB3 ALA 11 HB3 ALA 11 16.288 3.501 -2.060 61 HA PRO 12 HA PRO 12 12.550 2.297 -5.372 62 HB2 PRO 12 HB2 PRO 12 11.001 4.505 -6.051 63 HB3 PRO 12 HB1 PRO 12 10.395 3.049 -5.240 64 HG2 PRO 12 HG2 PRO 12 11.142 5.685 -4.086 65 HG3 PRO 12 HG1 PRO 12 9.826 4.585 -3.641 66 HD2 PRO 12 HD2 PRO 12 12.086 4.763 -2.158 67 HD3 PRO 12 HD1 PRO 12 11.208 3.230 -2.349 68 H DBB 13 HN DBB 13 14.028 5.241 -4.364 69 HA DBB 13 HA DBB 13 14.587 6.758 -6.509 70 HB2 DBB 13 HB2 DBB 13 15.173 4.980 -7.951 71 HG1 DBB 13 HG1 DBB 13 15.372 3.103 -6.557 72 HG2 DBB 13 HG2 DBB 13 16.568 3.882 -5.525 73 HG3 DBB 13 HG3 DBB 13 17.019 3.332 -7.139 74 H ASN 14 HN ASN 14 15.612 5.148 -3.695 75 HA ASN 14 HA ASN 14 17.685 7.202 -3.214 76 HB2 ASN 14 HB2 ASN 14 15.615 7.479 -1.849 77 HB3 ASN 14 HB1 ASN 14 15.896 5.879 -1.164 78 HD21 ASN 14 HD21 ASN 14 15.886 7.787 0.736 79 HD22 ASN 14 HD22 ASN 14 17.461 8.217 1.220 80 H ASP 15 HN ASP 15 17.588 4.204 -4.143 81 HA ASP 15 HA ASP 15 19.740 3.328 -2.313 82 HB2 ASP 15 HB2 ASP 15 18.943 1.038 -2.473 83 HB3 ASP 15 HB1 ASP 15 17.639 2.070 -1.889 84 H TYR 16 HN TYR 16 19.720 0.816 -4.058 85 HA TYR 16 HA TYR 16 21.938 1.115 -5.543 86 HB2 TYR 16 HB2 TYR 16 21.174 -0.684 -6.991 87 HB3 TYR 16 HB1 TYR 16 20.648 -0.998 -5.337 88 HD1 TYR 16 HD1 TYR 16 19.576 -0.017 -8.720 89 HD2 TYR 16 HD2 TYR 16 18.300 -0.791 -4.692 90 HE1 TYR 16 HE1 TYR 16 17.217 -0.097 -9.482 91 HE2 TYR 16 HE2 TYR 16 15.940 -0.872 -5.455 92 HH TYR 16 HH TYR 16 14.885 0.335 -8.282 93 H LYS 17 HN LYS 17 22.598 1.975 -7.449 94 HA LYS 17 HA LYS 17 22.620 3.496 -9.176 95 HB2 LYS 17 HB2 LYS 17 20.021 2.032 -9.676 96 HB3 LYS 17 HB1 LYS 17 20.741 3.162 -10.824 97 HG2 LYS 17 HG2 LYS 17 22.797 1.807 -10.888 98 HG3 LYS 17 HG1 LYS 17 22.094 0.678 -9.728 99 HD2 LYS 17 HD2 LYS 17 20.281 0.164 -11.318 100 HD3 LYS 17 HD1 LYS 17 20.977 1.295 -12.480 101 HE2 LYS 17 HE2 LYS 17 23.049 -0.039 -12.549 102 HE3 LYS 17 HE1 LYS 17 22.364 -1.169 -11.381 103 HZ1 LYS 17 HZ1 LYS 17 21.046 -0.556 -13.960 104 HZ2 LYS 17 HZ2 LYS 17 20.732 -1.847 -12.902 105 HZ3 LYS 17 HZ3 LYS 17 22.177 -1.809 -13.793 106 H CYS 18 HN CYS 18 20.991 4.076 -6.576 107 HA CYS 18 HA CYS 18 19.843 6.590 -7.593 108 HB2 CYS 18 HB2 CYS 18 18.424 4.392 -6.319 109 HB3 CYS 18 HB1 CYS 18 18.218 5.911 -5.456 110 H DBB 19 HN DBB 19 21.669 4.860 -5.292 111 HA DBB 19 HA DBB 19 23.056 6.848 -4.147 112 HB2 DBB 19 HB2 DBB 19 22.877 4.238 -3.599 113 HG1 DBB 19 HG1 DBB 19 21.801 3.700 -1.614 114 HG2 DBB 19 HG2 DBB 19 20.705 4.926 -2.250 115 HG3 DBB 19 HG3 DBB 19 21.878 5.353 -1.005 116 H LYS 20 HN LYS 20 22.834 8.408 -2.584 117 HA LYS 20 HA LYS 20 21.739 10.004 -1.341 118 HB2 LYS 20 HB2 LYS 20 19.340 8.810 -2.745 119 HB3 LYS 20 HB1 LYS 20 19.255 10.222 -1.690 120 HG2 LYS 20 HG2 LYS 20 20.906 11.383 -3.126 121 HG3 LYS 20 HG1 LYS 20 20.949 9.980 -4.194 122 HD2 LYS 20 HD2 LYS 20 18.411 11.503 -3.548 123 HD3 LYS 20 HD1 LYS 20 19.409 11.835 -4.964 124 HE2 LYS 20 HE2 LYS 20 19.165 9.407 -5.606 125 HE3 LYS 20 HE1 LYS 20 17.996 9.241 -4.296 126 HZ1 LYS 20 HZ1 LYS 20 16.442 10.388 -5.417 127 HZ2 LYS 20 HZ2 LYS 20 17.344 9.934 -6.783 128 HZ3 LYS 20 HZ3 LYS 20 17.556 11.472 -6.095 129 H GLY 21 HN GLY 21 22.091 7.076 -0.522 130 HA2 GLY 21 HA2 GLY 21 20.434 7.270 1.909 131 HA3 GLY 21 HA1 GLY 21 20.438 5.770 0.988 132 H ARG 22 HN ARG 22 21.209 4.975 3.158 133 HA ARG 22 HA ARG 22 24.137 5.319 3.418 134 HB2 ARG 22 HB2 ARG 22 22.950 6.103 5.400 135 HB3 ARG 22 HB1 ARG 22 22.094 4.565 5.523 136 HG2 ARG 22 HG2 ARG 22 23.931 4.456 7.067 137 HG3 ARG 22 HG1 ARG 22 24.362 3.438 5.692 138 HD2 ARG 22 HD2 ARG 22 25.662 5.315 4.730 139 HD3 ARG 22 HD1 ARG 22 25.258 6.302 6.133 140 HE ARG 22 HE ARG 22 26.461 3.860 6.962 141 HH11 ARG 22 HH11 ARG 22 27.123 6.907 5.462 142 HH12 ARG 22 HH12 ARG 22 28.768 6.970 6.001 143 HH21 ARG 22 HH21 ARG 22 28.618 3.935 7.670 144 HH22 ARG 22 HH22 ARG 22 29.616 5.289 7.250 145 H GLY 23 HN GLY 23 25.397 3.572 3.171 146 HA2 GLY 23 HA2 GLY 23 25.622 1.135 3.742 147 HA3 GLY 23 HA1 GLY 23 24.065 0.937 2.944 148 HA PRO 24 HA PRO 24 27.756 0.864 -0.093 149 HB2 PRO 24 HB2 PRO 24 28.364 -1.794 -0.152 150 HB3 PRO 24 HB1 PRO 24 29.144 -0.646 0.953 151 HG2 PRO 24 HG2 PRO 24 26.961 -2.597 1.480 152 HG3 PRO 24 HG1 PRO 24 28.331 -2.127 2.501 153 HD2 PRO 24 HD2 PRO 24 25.775 -1.163 2.846 154 HD3 PRO 24 HD1 PRO 24 27.235 -0.286 3.354 155 H GLY 25 HN GLY 25 27.610 0.104 -2.263 156 HA2 GLY 25 HA2 GLY 25 26.526 -1.457 -3.853 157 HA3 GLY 25 HA1 GLY 25 25.046 -1.219 -2.929 158 H GLY 26 HN GLY 26 24.910 -0.778 -5.586 159 HA2 GLY 26 HA2 GLY 26 25.479 1.401 -6.950 160 HA3 GLY 26 HA1 GLY 26 23.797 0.897 -6.820 161 H CYS 27 HN CYS 27 26.237 3.104 -5.635 162 HA CYS 27 HA CYS 27 24.132 4.940 -4.784 163 HB2 CYS 27 HB2 CYS 27 25.079 3.385 -2.842 164 HB3 CYS 27 HB1 CYS 27 26.379 4.576 -2.855 165 H TYR 28 HN TYR 28 24.873 7.123 -4.533 166 HA TYR 28 HA TYR 28 27.614 7.748 -5.286 167 HB2 TYR 28 HB2 TYR 28 25.397 8.875 -6.986 168 HB3 TYR 28 HB1 TYR 28 27.133 8.889 -7.294 169 HD1 TYR 28 HD1 TYR 28 24.091 6.792 -7.230 170 HD2 TYR 28 HD2 TYR 28 28.270 6.956 -8.210 171 HE1 TYR 28 HE1 TYR 28 23.882 4.653 -8.467 172 HE2 TYR 28 HE2 TYR 28 28.061 4.815 -9.449 173 HH TYR 28 HH TYR 28 25.771 2.697 -9.084 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 13.736 -9.354 0.796 2 H2 CYS 1 HT2 CYS 1 12.889 -8.834 2.174 3 H3 CYS 1 HT3 CYS 1 14.134 -9.980 2.321 4 HA CYS 1 HA CYS 1 14.601 -7.535 2.938 5 HB2 CYS 1 HB2 CYS 1 16.817 -8.087 2.753 6 HB3 CYS 1 HB1 CYS 1 16.160 -9.667 2.339 7 H CYS 2 HN CYS 2 14.245 -5.558 2.146 8 HA CYS 2 HA CYS 2 13.706 -5.159 -0.667 9 HB2 CYS 2 HB2 CYS 2 12.654 -3.966 1.441 10 HB3 CYS 2 HB1 CYS 2 14.034 -2.885 1.252 11 H ILE 3 HN ILE 3 15.078 -4.419 -2.179 12 HA ILE 3 HA ILE 3 17.009 -3.663 -3.170 13 HB ILE 3 HB ILE 3 16.726 -2.059 -0.728 14 HG12 ILE 3 HG12 ILE 3 17.187 -0.259 -2.284 15 HG13 ILE 3 HG11 ILE 3 17.823 -1.398 -3.472 16 HG21 ILE 3 HG21 ILE 3 19.474 -2.323 -1.991 17 HG22 ILE 3 HG22 ILE 3 19.043 -2.901 -0.382 18 HG23 ILE 3 HG23 ILE 3 19.015 -1.176 -0.733 19 HD11 ILE 3 HD11 ILE 3 15.753 -1.871 -4.239 20 HD12 ILE 3 HD12 ILE 3 15.170 -0.521 -3.266 21 HD13 ILE 3 HD13 ILE 3 15.151 -2.157 -2.607 22 H DBB 4 HN DBB 4 16.868 -5.805 -0.704 23 HA DBB 4 HA DBB 4 18.898 -7.437 -1.239 24 HB2 DBB 4 HB2 DBB 4 19.098 -7.835 1.294 25 HG1 DBB 4 HG1 DBB 4 17.974 -6.483 2.759 26 HG2 DBB 4 HG2 DBB 4 16.659 -6.176 1.624 27 HG3 DBB 4 HG3 DBB 4 18.175 -5.287 1.481 28 H GLY 5 HN GLY 5 19.221 -4.374 0.472 29 HA2 GLY 5 HA2 GLY 5 22.160 -4.696 0.450 30 HA3 GLY 5 HA1 GLY 5 21.397 -3.221 -0.135 31 H GLU 6 HN GLU 6 22.242 -1.827 1.375 32 HA GLU 6 HA GLU 6 21.666 -2.391 4.214 33 HB2 GLU 6 HB2 GLU 6 23.372 -0.773 4.756 34 HB3 GLU 6 HB1 GLU 6 24.034 -1.890 3.562 35 HG2 GLU 6 HG2 GLU 6 23.500 -0.271 1.767 36 HG3 GLU 6 HG1 GLU 6 22.880 0.851 2.976 37 H SER 7 HN SER 7 20.458 -0.704 1.609 38 HA SER 7 HA SER 7 19.783 1.813 2.308 39 HB2 SER 7 HB2 SER 7 17.920 1.649 0.921 40 HB3 SER 7 HB1 SER 7 18.922 0.320 0.351 41 HG SER 7 HG SER 7 16.632 -0.146 0.832 42 HA PRO 8 HA PRO 8 17.615 1.849 6.117 43 HB2 PRO 8 HB2 PRO 8 15.793 3.864 5.653 44 HB3 PRO 8 HB1 PRO 8 17.509 4.138 6.005 45 HG2 PRO 8 HG2 PRO 8 16.086 4.170 3.397 46 HG3 PRO 8 HG1 PRO 8 17.401 5.202 3.981 47 HD2 PRO 8 HD2 PRO 8 17.811 3.136 2.240 48 HD3 PRO 8 HD1 PRO 8 19.041 3.669 3.408 49 H GLY 9 HN GLY 9 15.902 1.350 3.145 50 HA2 GLY 9 HA2 GLY 9 14.236 -0.665 4.070 51 HA3 GLY 9 HA1 GLY 9 13.312 0.829 4.204 52 H DAL 10 HN DAL 10 11.955 -0.421 2.596 53 HA DAL 10 HA DAL 10 11.203 -0.772 0.445 54 HB1 DAL 10 HB2 DAL 10 14.101 -1.152 0.263 55 HB2 DAL 10 HB3 DAL 10 13.379 -0.587 -1.244 56 H ALA 11 HN ALA 11 13.976 1.444 0.067 57 HA ALA 11 HA ALA 11 12.083 3.462 -0.967 58 HB1 ALA 11 HB1 ALA 11 14.735 4.451 -0.294 59 HB2 ALA 11 HB2 ALA 11 13.945 3.686 1.085 60 HB3 ALA 11 HB3 ALA 11 13.154 5.019 0.243 61 HA PRO 12 HA PRO 12 14.598 1.783 -4.548 62 HB2 PRO 12 HB2 PRO 12 12.188 2.871 -5.897 63 HB3 PRO 12 HB1 PRO 12 12.990 1.308 -6.114 64 HG2 PRO 12 HG2 PRO 12 10.642 1.660 -4.773 65 HG3 PRO 12 HG1 PRO 12 11.756 0.313 -4.503 66 HD2 PRO 12 HD2 PRO 12 11.146 2.577 -2.741 67 HD3 PRO 12 HD1 PRO 12 11.985 1.058 -2.372 68 H DBB 13 HN DBB 13 15.982 3.049 -5.665 69 HA DBB 13 HA DBB 13 15.323 5.721 -6.530 70 HB2 DBB 13 HB2 DBB 13 17.245 5.601 -7.783 71 HG1 DBB 13 HG1 DBB 13 17.279 2.681 -7.071 72 HG2 DBB 13 HG2 DBB 13 17.442 3.437 -8.657 73 HG3 DBB 13 HG3 DBB 13 15.864 3.365 -7.869 74 H ASN 14 HN ASN 14 16.995 4.224 -3.868 75 HA ASN 14 HA ASN 14 18.106 6.764 -2.942 76 HB2 ASN 14 HB2 ASN 14 15.872 6.880 -2.048 77 HB3 ASN 14 HB1 ASN 14 15.976 5.224 -1.454 78 HD21 ASN 14 HD21 ASN 14 17.594 8.423 -1.072 79 HD22 ASN 14 HD22 ASN 14 18.012 8.176 0.559 80 H ASP 15 HN ASP 15 18.732 3.766 -3.641 81 HA ASP 15 HA ASP 15 20.627 3.442 -1.414 82 HB2 ASP 15 HB2 ASP 15 18.804 1.957 -0.847 83 HB3 ASP 15 HB1 ASP 15 18.789 1.289 -2.480 84 H TYR 16 HN TYR 16 19.629 2.290 -4.631 85 HA TYR 16 HA TYR 16 22.480 2.208 -5.378 86 HB2 TYR 16 HB2 TYR 16 22.173 0.104 -6.550 87 HB3 TYR 16 HB1 TYR 16 21.692 -0.102 -4.865 88 HD1 TYR 16 HD1 TYR 16 20.540 0.061 -8.341 89 HD2 TYR 16 HD2 TYR 16 19.309 -0.247 -4.238 90 HE1 TYR 16 HE1 TYR 16 18.277 -0.643 -9.073 91 HE2 TYR 16 HE2 TYR 16 17.046 -0.950 -4.969 92 HH TYR 16 HH TYR 16 16.351 -2.028 -8.004 93 H LYS 17 HN LYS 17 22.921 2.992 -7.370 94 HA LYS 17 HA LYS 17 22.613 4.052 -9.379 95 HB2 LYS 17 HB2 LYS 17 20.123 2.339 -9.331 96 HB3 LYS 17 HB1 LYS 17 20.594 3.329 -10.713 97 HG2 LYS 17 HG2 LYS 17 22.716 2.137 -10.895 98 HG3 LYS 17 HG1 LYS 17 22.346 1.202 -9.446 99 HD2 LYS 17 HD2 LYS 17 21.767 -0.231 -11.250 100 HD3 LYS 17 HD1 LYS 17 20.230 0.430 -10.689 101 HE2 LYS 17 HE2 LYS 17 20.193 2.050 -12.478 102 HE3 LYS 17 HE1 LYS 17 21.836 1.628 -12.961 103 HZ1 LYS 17 HZ1 LYS 17 19.423 -0.091 -13.126 104 HZ2 LYS 17 HZ2 LYS 17 21.003 -0.651 -13.404 105 HZ3 LYS 17 HZ3 LYS 17 20.328 0.533 -14.419 106 H CYS 18 HN CYS 18 21.616 5.246 -6.855 107 HA CYS 18 HA CYS 18 19.732 7.166 -8.071 108 HB2 CYS 18 HB2 CYS 18 19.515 6.766 -5.152 109 HB3 CYS 18 HB1 CYS 18 18.254 7.050 -6.350 110 H DBB 19 HN DBB 19 22.508 6.527 -6.122 111 HA DBB 19 HA DBB 19 23.407 9.234 -6.299 112 HB2 DBB 19 HB2 DBB 19 24.447 6.674 -5.192 113 HG1 DBB 19 HG1 DBB 19 26.293 7.836 -4.032 114 HG2 DBB 19 HG2 DBB 19 24.745 8.210 -3.276 115 HG3 DBB 19 HG3 DBB 19 25.513 9.386 -4.343 116 H LYS 20 HN LYS 20 21.036 7.985 -4.495 117 HA LYS 20 HA LYS 20 21.342 10.045 -2.427 118 HB2 LYS 20 HB2 LYS 20 18.975 8.369 -3.285 119 HB3 LYS 20 HB1 LYS 20 18.933 9.549 -1.973 120 HG2 LYS 20 HG2 LYS 20 19.585 11.331 -3.539 121 HG3 LYS 20 HG1 LYS 20 19.659 10.159 -4.855 122 HD2 LYS 20 HD2 LYS 20 17.249 9.646 -4.495 123 HD3 LYS 20 HD1 LYS 20 17.193 10.895 -3.251 124 HE2 LYS 20 HE2 LYS 20 18.022 11.396 -6.123 125 HE3 LYS 20 HE1 LYS 20 16.401 11.692 -5.495 126 HZ1 LYS 20 HZ1 LYS 20 17.145 13.677 -4.891 127 HZ2 LYS 20 HZ2 LYS 20 18.760 13.266 -5.221 128 HZ3 LYS 20 HZ3 LYS 20 18.081 12.905 -3.707 129 H GLY 21 HN GLY 21 21.912 6.780 -2.832 130 HA2 GLY 21 HA2 GLY 21 21.321 6.082 -0.036 131 HA3 GLY 21 HA1 GLY 21 21.742 4.951 -1.317 132 H ARG 22 HN ARG 22 22.925 5.215 1.338 133 HA ARG 22 HA ARG 22 25.441 6.507 1.233 134 HB2 ARG 22 HB2 ARG 22 24.400 4.214 2.904 135 HB3 ARG 22 HB1 ARG 22 26.002 4.916 3.127 136 HG2 ARG 22 HG2 ARG 22 25.006 7.121 3.535 137 HG3 ARG 22 HG1 ARG 22 23.395 6.460 3.256 138 HD2 ARG 22 HD2 ARG 22 25.274 5.457 5.409 139 HD3 ARG 22 HD1 ARG 22 24.017 6.659 5.690 140 HE ARG 22 HE ARG 22 22.830 4.426 4.463 141 HH11 ARG 22 HH11 ARG 22 24.425 5.339 7.396 142 HH12 ARG 22 HH12 ARG 22 23.574 4.192 8.377 143 HH21 ARG 22 HH21 ARG 22 21.713 2.918 5.743 144 HH22 ARG 22 HH22 ARG 22 22.040 2.822 7.441 145 H GLY 23 HN GLY 23 24.389 3.230 0.406 146 HA2 GLY 23 HA2 GLY 23 26.848 1.987 0.036 147 HA3 GLY 23 HA1 GLY 23 25.389 1.594 -0.868 148 HA PRO 24 HA PRO 24 28.267 4.712 -3.284 149 HB2 PRO 24 HB2 PRO 24 30.846 3.762 -3.238 150 HB3 PRO 24 HB1 PRO 24 30.233 5.014 -2.141 151 HG2 PRO 24 HG2 PRO 24 30.661 2.114 -1.653 152 HG3 PRO 24 HG1 PRO 24 30.917 3.494 -0.573 153 HD2 PRO 24 HD2 PRO 24 28.732 1.851 -0.398 154 HD3 PRO 24 HD1 PRO 24 28.704 3.559 0.091 155 H GLY 25 HN GLY 25 28.235 1.272 -3.032 156 HA2 GLY 25 HA2 GLY 25 29.393 0.522 -5.484 157 HA3 GLY 25 HA1 GLY 25 28.197 -0.416 -4.595 158 H GLY 26 HN GLY 26 26.094 1.510 -4.651 159 HA2 GLY 26 HA2 GLY 26 25.458 1.539 -7.544 160 HA3 GLY 26 HA1 GLY 26 24.271 1.153 -6.301 161 H CYS 27 HN CYS 27 25.574 3.600 -8.210 162 HA CYS 27 HA CYS 27 24.081 5.622 -6.677 163 HB2 CYS 27 HB2 CYS 27 26.531 5.812 -6.178 164 HB3 CYS 27 HB1 CYS 27 26.803 6.136 -7.889 165 H TYR 28 HN TYR 28 22.680 6.661 -7.915 166 HA TYR 28 HA TYR 28 21.442 6.811 -9.934 167 HB2 TYR 28 HB2 TYR 28 22.488 8.805 -11.153 168 HB3 TYR 28 HB1 TYR 28 22.072 9.031 -9.455 169 HD1 TYR 28 HD1 TYR 28 24.957 7.411 -11.228 170 HD2 TYR 28 HD2 TYR 28 23.651 10.342 -8.373 171 HE1 TYR 28 HE1 TYR 28 27.319 7.969 -10.722 172 HE2 TYR 28 HE2 TYR 28 26.015 10.902 -7.868 173 HH TYR 28 HH TYR 28 28.694 9.230 -9.531 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 14.762 -8.774 2.742 2 H2 CYS 1 HT2 CYS 1 13.593 -7.575 2.457 3 H3 CYS 1 HT3 CYS 1 14.713 -7.390 3.721 4 HA CYS 1 HA CYS 1 15.976 -6.231 2.336 5 HB2 CYS 1 HB2 CYS 1 17.453 -7.960 2.001 6 HB3 CYS 1 HB1 CYS 1 16.198 -9.052 1.429 7 H CYS 2 HN CYS 2 14.473 -4.759 1.491 8 HA CYS 2 HA CYS 2 12.896 -5.445 -0.842 9 HB2 CYS 2 HB2 CYS 2 11.710 -3.569 -0.376 10 HB3 CYS 2 HB1 CYS 2 12.540 -3.649 1.177 11 H ILE 3 HN ILE 3 15.623 -3.282 -0.102 12 HA ILE 3 HA ILE 3 16.062 -2.850 -2.975 13 HB ILE 3 HB ILE 3 16.047 -0.929 -1.315 14 HG12 ILE 3 HG12 ILE 3 18.119 0.101 -2.301 15 HG13 ILE 3 HG11 ILE 3 18.528 -1.480 -2.970 16 HG21 ILE 3 HG21 ILE 3 17.994 -0.631 0.098 17 HG22 ILE 3 HG22 ILE 3 18.743 -2.090 -0.552 18 HG23 ILE 3 HG23 ILE 3 17.298 -2.214 0.453 19 HD11 ILE 3 HD11 ILE 3 17.215 0.212 -4.466 20 HD12 ILE 3 HD12 ILE 3 15.823 -0.273 -3.497 21 HD13 ILE 3 HD13 ILE 3 16.703 -1.475 -4.442 22 H DBB 4 HN DBB 4 16.975 -4.970 -0.599 23 HA DBB 4 HA DBB 4 18.892 -6.318 -2.108 24 HB2 DBB 4 HB2 DBB 4 19.423 -7.522 -0.036 25 HG1 DBB 4 HG1 DBB 4 17.560 -5.809 1.534 26 HG2 DBB 4 HG2 DBB 4 19.175 -5.183 1.231 27 HG3 DBB 4 HG3 DBB 4 18.970 -6.717 2.069 28 H GLY 5 HN GLY 5 19.223 -3.634 0.111 29 HA2 GLY 5 HA2 GLY 5 22.154 -3.691 -0.299 30 HA3 GLY 5 HA1 GLY 5 21.220 -2.201 -0.399 31 H GLU 6 HN GLU 6 22.323 -1.188 1.303 32 HA GLU 6 HA GLU 6 22.010 -2.421 3.966 33 HB2 GLU 6 HB2 GLU 6 23.839 -1.000 4.698 34 HB3 GLU 6 HB1 GLU 6 24.341 -1.888 3.259 35 HG2 GLU 6 HG2 GLU 6 23.807 0.069 1.858 36 HG3 GLU 6 HG1 GLU 6 23.297 0.959 3.291 37 H SER 7 HN SER 7 20.745 -0.108 1.922 38 HA SER 7 HA SER 7 19.686 1.423 4.207 39 HB2 SER 7 HB2 SER 7 20.111 2.426 1.387 40 HB3 SER 7 HB1 SER 7 19.495 3.363 2.746 41 HG SER 7 HG SER 7 21.642 2.440 3.700 42 HA PRO 8 HA PRO 8 16.272 -1.052 2.161 43 HB2 PRO 8 HB2 PRO 8 15.279 -0.697 4.947 44 HB3 PRO 8 HB1 PRO 8 15.274 -2.142 3.921 45 HG2 PRO 8 HG2 PRO 8 16.997 -1.846 5.944 46 HG3 PRO 8 HG1 PRO 8 17.431 -2.690 4.449 47 HD2 PRO 8 HD2 PRO 8 18.274 0.005 5.395 48 HD3 PRO 8 HD1 PRO 8 19.125 -1.139 4.333 49 H GLY 9 HN GLY 9 13.802 -0.332 3.663 50 HA2 GLY 9 HA2 GLY 9 12.251 1.398 3.858 51 HA3 GLY 9 HA1 GLY 9 13.497 2.535 3.346 52 H DAL 10 HN DAL 10 13.170 -0.235 1.379 53 HA DAL 10 HA DAL 10 11.183 0.890 -0.409 54 HB1 DAL 10 HB2 DAL 10 11.883 -1.135 -1.820 55 HB2 DAL 10 HB3 DAL 10 11.136 -1.473 -0.259 56 H ALA 11 HN ALA 11 13.824 2.253 0.139 57 HA ALA 11 HA ALA 11 14.899 3.795 -1.281 58 HB1 ALA 11 HB1 ALA 11 16.386 1.588 -2.489 59 HB2 ALA 11 HB2 ALA 11 16.224 1.444 -0.738 60 HB3 ALA 11 HB3 ALA 11 16.950 2.890 -1.441 61 HA PRO 12 HA PRO 12 12.437 2.461 -5.109 62 HB2 PRO 12 HB2 PRO 12 11.259 5.146 -4.736 63 HB3 PRO 12 HB1 PRO 12 10.454 3.591 -5.016 64 HG2 PRO 12 HG2 PRO 12 10.410 4.843 -2.639 65 HG3 PRO 12 HG1 PRO 12 10.370 3.081 -2.795 66 HD2 PRO 12 HD2 PRO 12 12.625 4.863 -1.978 67 HD3 PRO 12 HD1 PRO 12 12.234 3.214 -1.450 68 H DBB 13 HN DBB 13 14.695 4.699 -4.117 69 HA DBB 13 HA DBB 13 14.819 6.361 -6.462 70 HB2 DBB 13 HB2 DBB 13 16.548 5.392 -7.633 71 HG1 DBB 13 HG1 DBB 13 16.298 2.881 -7.580 72 HG2 DBB 13 HG2 DBB 13 14.776 3.753 -7.749 73 HG3 DBB 13 HG3 DBB 13 15.236 3.074 -6.185 74 H ASN 14 HN ASN 14 16.172 5.111 -3.504 75 HA ASN 14 HA ASN 14 17.581 7.680 -3.095 76 HB2 ASN 14 HB2 ASN 14 15.560 7.390 -1.679 77 HB3 ASN 14 HB1 ASN 14 16.272 5.923 -1.006 78 HD21 ASN 14 HD21 ASN 14 16.881 6.514 1.096 79 HD22 ASN 14 HD22 ASN 14 17.827 7.878 1.472 80 H ASP 15 HN ASP 15 17.898 4.326 -3.357 81 HA ASP 15 HA ASP 15 20.704 4.457 -2.640 82 HB2 ASP 15 HB2 ASP 15 18.763 2.732 -1.083 83 HB3 ASP 15 HB1 ASP 15 20.515 2.534 -1.044 84 H TYR 16 HN TYR 16 21.747 2.262 -2.985 85 HA TYR 16 HA TYR 16 22.082 0.338 -4.222 86 HB2 TYR 16 HB2 TYR 16 19.724 -0.249 -3.683 87 HB3 TYR 16 HB1 TYR 16 19.205 0.652 -5.106 88 HD1 TYR 16 HD1 TYR 16 21.104 -2.298 -3.927 89 HD2 TYR 16 HD2 TYR 16 19.532 -0.203 -7.334 90 HE1 TYR 16 HE1 TYR 16 21.554 -4.277 -5.351 91 HE2 TYR 16 HE2 TYR 16 19.983 -2.183 -8.757 92 HH TYR 16 HH TYR 16 21.815 -4.913 -7.581 93 H LYS 17 HN LYS 17 19.675 1.737 -6.387 94 HA LYS 17 HA LYS 17 21.861 2.395 -8.265 95 HB2 LYS 17 HB2 LYS 17 20.220 0.430 -8.784 96 HB3 LYS 17 HB1 LYS 17 19.086 1.720 -9.185 97 HG2 LYS 17 HG2 LYS 17 20.631 2.634 -10.816 98 HG3 LYS 17 HG1 LYS 17 21.874 1.476 -10.346 99 HD2 LYS 17 HD2 LYS 17 20.423 -0.381 -11.079 100 HD3 LYS 17 HD1 LYS 17 19.181 0.777 -11.554 101 HE2 LYS 17 HE2 LYS 17 20.727 1.790 -13.176 102 HE3 LYS 17 HE1 LYS 17 21.987 0.655 -12.695 103 HZ1 LYS 17 HZ1 LYS 17 21.001 -0.259 -14.597 104 HZ2 LYS 17 HZ2 LYS 17 19.425 0.073 -14.057 105 HZ3 LYS 17 HZ3 LYS 17 20.345 -1.141 -13.305 106 H CYS 18 HN CYS 18 20.707 4.158 -6.268 107 HA CYS 18 HA CYS 18 19.435 6.140 -8.062 108 HB2 CYS 18 HB2 CYS 18 19.063 6.372 -5.121 109 HB3 CYS 18 HB1 CYS 18 17.957 6.763 -6.437 110 H DBB 19 HN DBB 19 20.131 8.279 -7.909 111 HA DBB 19 HA DBB 19 21.523 10.043 -7.391 112 HB2 DBB 19 HB2 DBB 19 23.566 7.806 -7.359 113 HG1 DBB 19 HG1 DBB 19 24.507 10.271 -8.455 114 HG2 DBB 19 HG2 DBB 19 25.073 9.442 -7.006 115 HG3 DBB 19 HG3 DBB 19 23.769 10.623 -6.893 116 H LYS 20 HN LYS 20 20.395 8.295 -5.129 117 HA LYS 20 HA LYS 20 22.166 9.381 -3.024 118 HB2 LYS 20 HB2 LYS 20 19.194 8.812 -3.013 119 HB3 LYS 20 HB1 LYS 20 20.116 9.275 -1.582 120 HG2 LYS 20 HG2 LYS 20 20.810 11.363 -2.700 121 HG3 LYS 20 HG1 LYS 20 19.888 10.903 -4.132 122 HD2 LYS 20 HD2 LYS 20 17.810 10.920 -2.835 123 HD3 LYS 20 HD1 LYS 20 18.708 11.301 -1.365 124 HE2 LYS 20 HE2 LYS 20 17.742 13.351 -2.291 125 HE3 LYS 20 HE1 LYS 20 19.500 13.408 -2.426 126 HZ1 LYS 20 HZ1 LYS 20 17.524 13.402 -4.486 127 HZ2 LYS 20 HZ2 LYS 20 18.677 12.177 -4.720 128 HZ3 LYS 20 HZ3 LYS 20 19.171 13.796 -4.574 129 H GLY 21 HN GLY 21 22.624 8.116 -1.194 130 HA2 GLY 21 HA2 GLY 21 22.075 5.963 -0.009 131 HA3 GLY 21 HA1 GLY 21 22.214 5.211 -1.595 132 H ARG 22 HN ARG 22 23.760 4.364 0.560 133 HA ARG 22 HA ARG 22 26.459 5.217 -0.296 134 HB2 ARG 22 HB2 ARG 22 25.482 4.623 2.504 135 HB3 ARG 22 HB1 ARG 22 27.184 4.776 2.068 136 HG2 ARG 22 HG2 ARG 22 26.794 7.061 1.259 137 HG3 ARG 22 HG1 ARG 22 25.078 6.915 1.641 138 HD2 ARG 22 HD2 ARG 22 25.654 6.557 4.022 139 HD3 ARG 22 HD1 ARG 22 27.360 6.753 3.630 140 HE ARG 22 HE ARG 22 25.356 8.862 3.771 141 HH11 ARG 22 HH11 ARG 22 28.490 7.831 2.720 142 HH12 ARG 22 HH12 ARG 22 29.130 9.436 2.609 143 HH21 ARG 22 HH21 ARG 22 26.190 10.966 3.627 144 HH22 ARG 22 HH22 ARG 22 27.827 11.210 3.122 145 H GLY 23 HN GLY 23 28.049 3.603 -0.331 146 HA2 GLY 23 HA2 GLY 23 28.656 1.280 0.321 147 HA3 GLY 23 HA1 GLY 23 27.016 0.834 -0.139 148 HA PRO 24 HA PRO 24 28.670 -0.432 -4.039 149 HB2 PRO 24 HB2 PRO 24 25.943 0.272 -5.022 150 HB3 PRO 24 HB1 PRO 24 26.839 -1.252 -5.167 151 HG2 PRO 24 HG2 PRO 24 24.814 -0.997 -3.462 152 HG3 PRO 24 HG1 PRO 24 26.250 -1.957 -3.062 153 HD2 PRO 24 HD2 PRO 24 25.468 0.762 -2.079 154 HD3 PRO 24 HD1 PRO 24 26.323 -0.544 -1.226 155 H GLY 25 HN GLY 25 26.794 2.551 -3.735 156 HA2 GLY 25 HA2 GLY 25 27.414 4.679 -4.490 157 HA3 GLY 25 HA1 GLY 25 28.692 3.943 -5.453 158 H GLY 26 HN GLY 26 25.751 2.332 -5.831 159 HA2 GLY 26 HA2 GLY 26 25.519 2.948 -8.576 160 HA3 GLY 26 HA1 GLY 26 24.291 2.146 -7.600 161 H CYS 27 HN CYS 27 24.013 4.213 -9.697 162 HA CYS 27 HA CYS 27 22.614 6.253 -8.073 163 HB2 CYS 27 HB2 CYS 27 24.697 7.042 -9.340 164 HB3 CYS 27 HB1 CYS 27 23.763 6.778 -10.812 165 H TYR 28 HN TYR 28 20.816 7.317 -9.290 166 HA TYR 28 HA TYR 28 18.676 5.964 -9.858 167 HB2 TYR 28 HB2 TYR 28 19.739 8.057 -11.770 168 HB3 TYR 28 HB1 TYR 28 18.066 7.502 -11.712 169 HD1 TYR 28 HD1 TYR 28 20.609 9.576 -10.128 170 HD2 TYR 28 HD2 TYR 28 16.683 7.893 -9.670 171 HE1 TYR 28 HE1 TYR 28 20.134 11.182 -8.298 172 HE2 TYR 28 HE2 TYR 28 16.210 9.497 -7.838 173 HH TYR 28 HH TYR 28 18.028 12.223 -7.267 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 12.999 -7.991 2.810 2 H2 CYS 1 HT2 CYS 1 12.524 -6.362 2.929 3 H3 CYS 1 HT3 CYS 1 13.382 -7.095 4.200 4 HA CYS 1 HA CYS 1 14.942 -5.771 3.070 5 HB2 CYS 1 HB2 CYS 1 16.295 -7.561 3.394 6 HB3 CYS 1 HB1 CYS 1 15.041 -8.693 2.903 7 H CYS 2 HN CYS 2 14.425 -4.304 1.518 8 HA CYS 2 HA CYS 2 13.181 -4.955 -0.966 9 HB2 CYS 2 HB2 CYS 2 14.264 -2.557 0.348 10 HB3 CYS 2 HB1 CYS 2 14.417 -2.545 -1.410 11 H ILE 3 HN ILE 3 16.288 -3.287 -0.749 12 HA ILE 3 HA ILE 3 17.278 -4.418 -3.160 13 HB ILE 3 HB ILE 3 18.837 -3.101 -0.922 14 HG12 ILE 3 HG12 ILE 3 17.616 -1.872 -3.414 15 HG13 ILE 3 HG11 ILE 3 16.911 -1.750 -1.801 16 HG21 ILE 3 HG21 ILE 3 20.632 -3.134 -2.315 17 HG22 ILE 3 HG22 ILE 3 19.650 -2.779 -3.735 18 HG23 ILE 3 HG23 ILE 3 19.772 -4.434 -3.140 19 HD11 ILE 3 HD11 ILE 3 18.232 0.021 -1.392 20 HD12 ILE 3 HD12 ILE 3 19.020 -0.173 -2.957 21 HD13 ILE 3 HD13 ILE 3 19.640 -1.031 -1.545 22 H DBB 4 HN DBB 4 17.836 -5.111 0.271 23 HA DBB 4 HA DBB 4 18.764 -7.796 -0.454 24 HB2 DBB 4 HB2 DBB 4 18.562 -8.192 2.032 25 HG1 DBB 4 HG1 DBB 4 16.907 -5.748 2.297 26 HG2 DBB 4 HG2 DBB 4 18.649 -5.479 2.234 27 HG3 DBB 4 HG3 DBB 4 17.962 -6.527 3.475 28 H GLY 5 HN GLY 5 19.884 -4.787 0.870 29 HA2 GLY 5 HA2 GLY 5 22.533 -5.994 1.408 30 HA3 GLY 5 HA1 GLY 5 22.370 -4.504 0.484 31 H GLU 6 HN GLU 6 22.470 -2.637 1.574 32 HA GLU 6 HA GLU 6 22.152 -2.738 4.507 33 HB2 GLU 6 HB2 GLU 6 24.444 -2.205 3.744 34 HB3 GLU 6 HB1 GLU 6 23.810 -0.818 2.857 35 HG2 GLU 6 HG2 GLU 6 22.972 0.163 4.941 36 HG3 GLU 6 HG1 GLU 6 23.531 -1.245 5.840 37 H SER 7 HN SER 7 20.745 -1.656 1.684 38 HA SER 7 HA SER 7 19.871 0.930 2.262 39 HB2 SER 7 HB2 SER 7 19.232 0.417 0.139 40 HB3 SER 7 HB1 SER 7 18.964 -1.282 0.521 41 HG SER 7 HG SER 7 17.094 0.299 0.101 42 HA PRO 8 HA PRO 8 17.158 0.457 5.694 43 HB2 PRO 8 HB2 PRO 8 15.456 2.563 5.188 44 HB3 PRO 8 HB1 PRO 8 17.078 2.742 5.881 45 HG2 PRO 8 HG2 PRO 8 16.156 3.157 3.085 46 HG3 PRO 8 HG1 PRO 8 17.342 4.070 4.033 47 HD2 PRO 8 HD2 PRO 8 18.071 2.251 2.132 48 HD3 PRO 8 HD1 PRO 8 19.059 2.583 3.573 49 H GLY 9 HN GLY 9 15.993 0.431 2.427 50 HA2 GLY 9 HA2 GLY 9 14.293 -1.653 2.493 51 HA3 GLY 9 HA1 GLY 9 13.284 -0.353 3.120 52 H DAL 10 HN DAL 10 11.940 -0.679 1.225 53 HA DAL 10 HA DAL 10 11.210 0.505 -0.686 54 HB1 DAL 10 HB2 DAL 10 13.263 -1.047 -2.165 55 HB2 DAL 10 HB3 DAL 10 11.514 -0.978 -2.396 56 H ALA 11 HN ALA 11 12.962 2.232 0.535 57 HA ALA 11 HA ALA 11 13.992 4.211 -0.091 58 HB1 ALA 11 HB1 ALA 11 16.337 3.763 -0.884 59 HB2 ALA 11 HB2 ALA 11 15.913 2.054 -0.980 60 HB3 ALA 11 HB3 ALA 11 15.883 2.884 0.575 61 HA PRO 12 HA PRO 12 12.516 3.832 -4.533 62 HB2 PRO 12 HB2 PRO 12 11.038 6.191 -4.284 63 HB3 PRO 12 HB1 PRO 12 10.389 4.548 -4.140 64 HG2 PRO 12 HG2 PRO 12 11.136 6.480 -2.019 65 HG3 PRO 12 HG1 PRO 12 9.838 5.274 -2.048 66 HD2 PRO 12 HD2 PRO 12 12.124 4.903 -0.630 67 HD3 PRO 12 HD1 PRO 12 11.240 3.551 -1.372 68 H DBB 13 HN DBB 13 13.846 4.649 -6.037 69 HA DBB 13 HA DBB 13 14.482 7.202 -6.663 70 HB2 DBB 13 HB2 DBB 13 16.353 6.392 -7.840 71 HG1 DBB 13 HG1 DBB 13 15.378 4.681 -8.984 72 HG2 DBB 13 HG2 DBB 13 14.031 4.930 -7.873 73 HG3 DBB 13 HG3 DBB 13 15.230 3.680 -7.540 74 H ASN 14 HN ASN 14 15.538 5.400 -3.925 75 HA ASN 14 HA ASN 14 16.953 7.767 -2.897 76 HB2 ASN 14 HB2 ASN 14 15.127 7.060 -1.494 77 HB3 ASN 14 HB1 ASN 14 15.695 5.391 -1.504 78 HD21 ASN 14 HD21 ASN 14 16.488 4.994 0.577 79 HD22 ASN 14 HD22 ASN 14 17.549 6.026 1.420 80 H ASP 15 HN ASP 15 17.240 4.263 -3.325 81 HA ASP 15 HA ASP 15 20.157 4.542 -3.166 82 HB2 ASP 15 HB2 ASP 15 18.435 2.776 -1.438 83 HB3 ASP 15 HB1 ASP 15 20.089 2.309 -1.831 84 H TYR 16 HN TYR 16 21.293 3.076 -4.409 85 HA TYR 16 HA TYR 16 21.630 1.256 -5.827 86 HB2 TYR 16 HB2 TYR 16 19.635 0.183 -4.679 87 HB3 TYR 16 HB1 TYR 16 18.635 0.898 -5.943 88 HD1 TYR 16 HD1 TYR 16 22.102 -0.219 -6.535 89 HD2 TYR 16 HD2 TYR 16 17.941 -1.214 -6.923 90 HE1 TYR 16 HE1 TYR 16 22.688 -2.082 -8.058 91 HE2 TYR 16 HE2 TYR 16 18.529 -3.078 -8.448 92 HH TYR 16 HH TYR 16 20.174 -4.231 -9.390 93 H LYS 17 HN LYS 17 22.360 2.864 -7.280 94 HA LYS 17 HA LYS 17 22.425 3.845 -9.358 95 HB2 LYS 17 HB2 LYS 17 19.827 2.333 -9.715 96 HB3 LYS 17 HB1 LYS 17 20.665 3.199 -11.005 97 HG2 LYS 17 HG2 LYS 17 22.669 1.797 -10.644 98 HG3 LYS 17 HG1 LYS 17 21.820 0.921 -9.371 99 HD2 LYS 17 HD2 LYS 17 20.116 0.191 -10.993 100 HD3 LYS 17 HD1 LYS 17 20.951 1.073 -12.272 101 HE2 LYS 17 HE2 LYS 17 22.954 -0.324 -11.933 102 HE3 LYS 17 HE1 LYS 17 22.125 -1.206 -10.652 103 HZ1 LYS 17 HZ1 LYS 17 21.356 -1.086 -13.516 104 HZ2 LYS 17 HZ2 LYS 17 20.414 -1.812 -12.301 105 HZ3 LYS 17 HZ3 LYS 17 21.950 -2.436 -12.676 106 H CYS 18 HN CYS 18 20.030 4.395 -7.060 107 HA CYS 18 HA CYS 18 18.421 6.330 -8.343 108 HB2 CYS 18 HB2 CYS 18 19.142 5.958 -5.425 109 HB3 CYS 18 HB1 CYS 18 17.912 7.073 -6.013 110 H DBB 19 HN DBB 19 21.521 6.490 -6.690 111 HA DBB 19 HA DBB 19 21.707 9.347 -7.439 112 HB2 DBB 19 HB2 DBB 19 24.268 8.026 -7.044 113 HG1 DBB 19 HG1 DBB 19 24.663 9.822 -8.357 114 HG2 DBB 19 HG2 DBB 19 22.957 9.971 -8.773 115 HG3 DBB 19 HG3 DBB 19 23.997 8.884 -9.694 116 H LYS 20 HN LYS 20 20.765 7.972 -4.953 117 HA LYS 20 HA LYS 20 22.554 9.383 -3.088 118 HB2 LYS 20 HB2 LYS 20 20.167 10.115 -3.202 119 HB3 LYS 20 HB1 LYS 20 19.692 8.511 -2.653 120 HG2 LYS 20 HG2 LYS 20 19.788 9.976 -0.722 121 HG3 LYS 20 HG1 LYS 20 21.138 8.844 -0.627 122 HD2 LYS 20 HD2 LYS 20 22.605 10.569 -1.676 123 HD3 LYS 20 HD1 LYS 20 21.255 11.702 -1.624 124 HE2 LYS 20 HE2 LYS 20 22.455 10.319 0.793 125 HE3 LYS 20 HE1 LYS 20 22.774 11.988 0.322 126 HZ1 LYS 20 HZ1 LYS 20 20.566 10.930 1.744 127 HZ2 LYS 20 HZ2 LYS 20 20.030 11.702 0.330 128 HZ3 LYS 20 HZ3 LYS 20 20.975 12.551 1.458 129 H GLY 21 HN GLY 21 21.901 6.329 -4.183 130 HA2 GLY 21 HA2 GLY 21 21.728 4.751 -1.868 131 HA3 GLY 21 HA1 GLY 21 22.397 4.220 -3.407 132 H ARG 22 HN ARG 22 23.188 4.012 -0.419 133 HA ARG 22 HA ARG 22 26.040 4.605 -0.883 134 HB2 ARG 22 HB2 ARG 22 25.079 6.352 0.582 135 HB3 ARG 22 HB1 ARG 22 24.555 5.098 1.708 136 HG2 ARG 22 HG2 ARG 22 26.901 4.369 1.983 137 HG3 ARG 22 HG1 ARG 22 27.420 5.645 0.881 138 HD2 ARG 22 HD2 ARG 22 26.372 7.322 2.422 139 HD3 ARG 22 HD1 ARG 22 26.044 6.013 3.553 140 HE ARG 22 HE ARG 22 28.642 7.195 2.971 141 HH11 ARG 22 HH11 ARG 22 26.823 4.570 4.306 142 HH12 ARG 22 HH12 ARG 22 28.096 4.036 5.349 143 HH21 ARG 22 HH21 ARG 22 30.316 6.500 4.339 144 HH22 ARG 22 HH22 ARG 22 30.075 5.129 5.368 145 H GLY 23 HN GLY 23 27.278 2.870 -0.594 146 HA2 GLY 23 HA2 GLY 23 28.013 1.083 0.908 147 HA3 GLY 23 HA1 GLY 23 26.314 0.726 1.207 148 HA PRO 24 HA PRO 24 26.277 -2.137 -2.116 149 HB2 PRO 24 HB2 PRO 24 23.874 -1.700 -3.334 150 HB3 PRO 24 HB1 PRO 24 24.030 -2.447 -1.732 151 HG2 PRO 24 HG2 PRO 24 23.286 0.333 -2.460 152 HG3 PRO 24 HG1 PRO 24 22.682 -0.695 -1.151 153 HD2 PRO 24 HD2 PRO 24 24.545 1.314 -0.796 154 HD3 PRO 24 HD1 PRO 24 24.379 -0.087 0.282 155 H GLY 25 HN GLY 25 26.356 -2.459 -4.443 156 HA2 GLY 25 HA2 GLY 25 27.811 -0.521 -5.838 157 HA3 GLY 25 HA1 GLY 25 26.998 -1.895 -6.580 158 H GLY 26 HN GLY 26 27.283 1.068 -7.282 159 HA2 GLY 26 HA2 GLY 26 25.217 1.589 -8.861 160 HA3 GLY 26 HA1 GLY 26 24.495 1.950 -7.294 161 H CYS 27 HN CYS 27 24.332 4.103 -8.508 162 HA CYS 27 HA CYS 27 26.777 5.649 -8.663 163 HB2 CYS 27 HB2 CYS 27 25.346 7.461 -9.422 164 HB3 CYS 27 HB1 CYS 27 24.905 5.978 -10.272 165 H TYR 28 HN TYR 28 27.531 7.069 -7.202 166 HA TYR 28 HA TYR 28 26.242 8.579 -5.340 167 HB2 TYR 28 HB2 TYR 28 26.627 7.114 -3.238 168 HB3 TYR 28 HB1 TYR 28 25.195 6.812 -4.221 169 HD1 TYR 28 HD1 TYR 28 28.759 5.741 -3.816 170 HD2 TYR 28 HD2 TYR 28 24.799 4.665 -5.093 171 HE1 TYR 28 HE1 TYR 28 29.512 3.409 -4.184 172 HE2 TYR 28 HE2 TYR 28 25.555 2.333 -5.463 173 HH TYR 28 HH TYR 28 28.588 1.413 -5.811 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 13.553 -7.560 2.274 2 H2 CYS 1 HT2 CYS 1 13.273 -5.892 2.125 3 H3 CYS 1 HT3 CYS 1 13.796 -6.540 3.606 4 HA CYS 1 HA CYS 1 15.732 -5.635 2.756 5 HB2 CYS 1 HB2 CYS 1 15.505 -8.355 3.013 6 HB3 CYS 1 HB1 CYS 1 16.203 -8.200 1.409 7 H CYS 2 HN CYS 2 14.814 -4.160 1.162 8 HA CYS 2 HA CYS 2 14.351 -4.826 -1.534 9 HB2 CYS 2 HB2 CYS 2 15.043 -2.296 -0.086 10 HB3 CYS 2 HB1 CYS 2 15.083 -2.315 -1.848 11 H ILE 3 HN ILE 3 17.272 -3.686 0.130 12 HA ILE 3 HA ILE 3 18.859 -4.294 -2.272 13 HB ILE 3 HB ILE 3 19.529 -2.730 0.230 14 HG12 ILE 3 HG12 ILE 3 19.357 -1.849 -2.664 15 HG13 ILE 3 HG11 ILE 3 18.027 -1.682 -1.518 16 HG21 ILE 3 HG21 ILE 3 21.391 -4.152 -0.938 17 HG22 ILE 3 HG22 ILE 3 21.714 -2.458 -0.568 18 HG23 ILE 3 HG23 ILE 3 21.277 -2.935 -2.209 19 HD11 ILE 3 HD11 ILE 3 20.436 -0.059 -1.801 20 HD12 ILE 3 HD12 ILE 3 20.219 -0.640 -0.149 21 HD13 ILE 3 HD13 ILE 3 18.943 0.295 -0.930 22 H DBB 4 HN DBB 4 18.600 -4.994 1.183 23 HA DBB 4 HA DBB 4 20.530 -7.199 0.834 24 HB2 DBB 4 HB2 DBB 4 18.012 -7.845 0.786 25 HG1 DBB 4 HG1 DBB 4 19.961 -9.137 2.714 26 HG2 DBB 4 HG2 DBB 4 19.887 -9.427 0.976 27 HG3 DBB 4 HG3 DBB 4 18.545 -9.920 2.010 28 H GLY 5 HN GLY 5 18.695 -5.245 3.176 29 HA2 GLY 5 HA2 GLY 5 19.178 -4.660 5.361 30 HA3 GLY 5 HA1 GLY 5 20.435 -5.894 5.368 31 H GLU 6 HN GLU 6 20.443 -3.526 2.839 32 HA GLU 6 HA GLU 6 22.741 -2.196 4.132 33 HB2 GLU 6 HB2 GLU 6 22.217 -2.766 1.207 34 HB3 GLU 6 HB1 GLU 6 23.524 -1.736 1.794 35 HG2 GLU 6 HG2 GLU 6 23.118 -4.636 2.579 36 HG3 GLU 6 HG1 GLU 6 24.283 -4.069 1.383 37 H SER 7 HN SER 7 19.579 -1.823 3.234 38 HA SER 7 HA SER 7 19.857 1.092 3.254 39 HB2 SER 7 HB2 SER 7 18.773 -0.551 1.037 40 HB3 SER 7 HB1 SER 7 17.863 0.895 1.461 41 HG SER 7 HG SER 7 20.287 1.708 1.492 42 HA PRO 8 HA PRO 8 16.333 1.133 5.861 43 HB2 PRO 8 HB2 PRO 8 14.744 3.104 4.761 44 HB3 PRO 8 HB1 PRO 8 16.190 3.420 5.738 45 HG2 PRO 8 HG2 PRO 8 15.857 3.452 2.782 46 HG3 PRO 8 HG1 PRO 8 16.813 4.520 3.825 47 HD2 PRO 8 HD2 PRO 8 17.946 2.520 2.369 48 HD3 PRO 8 HD1 PRO 8 18.596 3.038 3.939 49 H GLY 9 HN GLY 9 15.825 0.675 2.459 50 HA2 GLY 9 HA2 GLY 9 14.252 -1.454 2.358 51 HA3 GLY 9 HA1 GLY 9 13.066 -0.228 2.797 52 H DAL 10 HN DAL 10 12.026 -0.719 0.756 53 HA DAL 10 HA DAL 10 11.471 0.364 -1.275 54 HB1 DAL 10 HB2 DAL 10 13.715 -1.015 -2.553 55 HB2 DAL 10 HB3 DAL 10 11.981 -1.255 -2.762 56 H ALA 11 HN ALA 11 12.409 2.487 -0.382 57 HA ALA 11 HA ALA 11 13.295 4.451 -1.349 58 HB1 ALA 11 HB1 ALA 11 15.961 4.030 -0.784 59 HB2 ALA 11 HB2 ALA 11 15.155 2.865 0.268 60 HB3 ALA 11 HB3 ALA 11 14.747 4.577 0.372 61 HA PRO 12 HA PRO 12 14.612 2.392 -5.340 62 HB2 PRO 12 HB2 PRO 12 13.240 4.338 -6.819 63 HB3 PRO 12 HB1 PRO 12 12.630 2.723 -6.417 64 HG2 PRO 12 HG2 PRO 12 12.061 5.335 -5.133 65 HG3 PRO 12 HG1 PRO 12 11.003 3.935 -5.371 66 HD2 PRO 12 HD2 PRO 12 12.091 4.506 -2.956 67 HD3 PRO 12 HD1 PRO 12 11.811 2.832 -3.488 68 H DBB 13 HN DBB 13 13.995 5.769 -6.035 69 HA DBB 13 HA DBB 13 15.407 7.443 -6.759 70 HB2 DBB 13 HB2 DBB 13 17.310 6.852 -7.876 71 HG1 DBB 13 HG1 DBB 13 15.412 5.066 -8.196 72 HG2 DBB 13 HG2 DBB 13 16.529 3.998 -7.350 73 HG3 DBB 13 HG3 DBB 13 17.012 4.755 -8.867 74 H ASN 14 HN ASN 14 15.646 5.765 -3.903 75 HA ASN 14 HA ASN 14 17.120 7.972 -2.650 76 HB2 ASN 14 HB2 ASN 14 14.868 7.432 -1.798 77 HB3 ASN 14 HB1 ASN 14 15.414 5.797 -1.417 78 HD21 ASN 14 HD21 ASN 14 14.963 6.274 0.907 79 HD22 ASN 14 HD22 ASN 14 16.057 7.221 1.803 80 H ASP 15 HN ASP 15 17.760 4.935 -3.830 81 HA ASP 15 HA ASP 15 20.212 4.752 -2.282 82 HB2 ASP 15 HB2 ASP 15 18.018 2.696 -2.097 83 HB3 ASP 15 HB1 ASP 15 19.705 2.279 -1.801 84 H TYR 16 HN TYR 16 18.571 2.111 -3.925 85 HA TYR 16 HA TYR 16 20.807 1.579 -5.605 86 HB2 TYR 16 HB2 TYR 16 19.106 -0.108 -4.792 87 HB3 TYR 16 HB1 TYR 16 17.989 0.560 -5.982 88 HD1 TYR 16 HD1 TYR 16 21.662 -0.219 -6.025 89 HD2 TYR 16 HD2 TYR 16 17.819 -0.837 -7.838 90 HE1 TYR 16 HE1 TYR 16 22.718 -1.603 -7.792 91 HE2 TYR 16 HE2 TYR 16 18.874 -2.222 -9.605 92 HH TYR 16 HH TYR 16 21.075 -2.512 -10.640 93 H LYS 17 HN LYS 17 21.239 2.162 -7.656 94 HA LYS 17 HA LYS 17 21.058 3.188 -9.701 95 HB2 LYS 17 HB2 LYS 17 18.116 2.976 -9.051 96 HB3 LYS 17 HB1 LYS 17 18.725 3.642 -10.566 97 HG2 LYS 17 HG2 LYS 17 19.921 1.544 -11.026 98 HG3 LYS 17 HG1 LYS 17 19.342 0.872 -9.500 99 HD2 LYS 17 HD2 LYS 17 17.012 1.100 -10.275 100 HD3 LYS 17 HD1 LYS 17 17.583 1.780 -11.799 101 HE2 LYS 17 HE2 LYS 17 18.803 -0.307 -12.282 102 HE3 LYS 17 HE1 LYS 17 18.246 -0.989 -10.754 103 HZ1 LYS 17 HZ1 LYS 17 16.112 0.067 -12.343 104 HZ2 LYS 17 HZ2 LYS 17 16.268 -1.461 -11.617 105 HZ3 LYS 17 HZ3 LYS 17 16.958 -1.168 -13.142 106 H CYS 18 HN CYS 18 21.038 4.623 -6.981 107 HA CYS 18 HA CYS 18 20.719 7.296 -8.129 108 HB2 CYS 18 HB2 CYS 18 19.713 7.463 -5.482 109 HB3 CYS 18 HB1 CYS 18 18.861 7.785 -6.990 110 H DBB 19 HN DBB 19 21.969 8.889 -7.080 111 HA DBB 19 HA DBB 19 23.820 9.685 -5.977 112 HB2 DBB 19 HB2 DBB 19 24.541 6.743 -5.928 113 HG1 DBB 19 HG1 DBB 19 26.901 7.976 -5.756 114 HG2 DBB 19 HG2 DBB 19 25.969 7.575 -4.312 115 HG3 DBB 19 HG3 DBB 19 25.923 9.213 -4.967 116 H LYS 20 HN LYS 20 21.452 7.926 -4.573 117 HA LYS 20 HA LYS 20 22.328 8.691 -1.889 118 HB2 LYS 20 HB2 LYS 20 19.668 7.733 -2.967 119 HB3 LYS 20 HB1 LYS 20 19.967 8.119 -1.272 120 HG2 LYS 20 HG2 LYS 20 20.621 10.413 -1.905 121 HG3 LYS 20 HG1 LYS 20 20.317 10.031 -3.599 122 HD2 LYS 20 HD2 LYS 20 17.958 9.583 -3.103 123 HD3 LYS 20 HD1 LYS 20 18.243 9.898 -1.392 124 HE2 LYS 20 HE2 LYS 20 17.289 11.889 -2.451 125 HE3 LYS 20 HE1 LYS 20 18.950 12.212 -1.957 126 HZ1 LYS 20 HZ1 LYS 20 18.952 11.120 -4.546 127 HZ2 LYS 20 HZ2 LYS 20 19.472 12.658 -4.045 128 HZ3 LYS 20 HZ3 LYS 20 17.855 12.412 -4.509 129 H GLY 21 HN GLY 21 22.506 6.004 -3.839 130 HA2 GLY 21 HA2 GLY 21 21.848 3.899 -2.051 131 HA3 GLY 21 HA1 GLY 21 22.889 3.763 -3.464 132 H ARG 22 HN ARG 22 22.805 4.688 -0.059 133 HA ARG 22 HA ARG 22 25.593 5.073 0.277 134 HB2 ARG 22 HB2 ARG 22 23.389 4.371 2.223 135 HB3 ARG 22 HB1 ARG 22 25.053 4.686 2.719 136 HG2 ARG 22 HG2 ARG 22 24.963 6.922 1.731 137 HG3 ARG 22 HG1 ARG 22 23.332 6.614 1.132 138 HD2 ARG 22 HD2 ARG 22 23.208 7.907 3.202 139 HD3 ARG 22 HD1 ARG 22 22.557 6.294 3.471 140 HE ARG 22 HE ARG 22 24.389 5.823 4.854 141 HH11 ARG 22 HH11 ARG 22 24.757 8.828 3.173 142 HH12 ARG 22 HH12 ARG 22 26.109 9.350 4.121 143 HH21 ARG 22 HH21 ARG 22 26.160 6.503 6.099 144 HH22 ARG 22 HH22 ARG 22 26.903 8.034 5.777 145 H GLY 23 HN GLY 23 23.504 2.239 0.531 146 HA2 GLY 23 HA2 GLY 23 25.207 0.423 1.754 147 HA3 GLY 23 HA1 GLY 23 23.993 -0.011 0.557 148 HA PRO 24 HA PRO 24 27.729 -1.590 -1.448 149 HB2 PRO 24 HB2 PRO 24 25.662 -2.181 -3.516 150 HB3 PRO 24 HB1 PRO 24 26.888 -3.249 -2.808 151 HG2 PRO 24 HG2 PRO 24 24.321 -3.434 -2.126 152 HG3 PRO 24 HG1 PRO 24 25.619 -3.699 -0.950 153 HD2 PRO 24 HD2 PRO 24 23.798 -1.349 -1.243 154 HD3 PRO 24 HD1 PRO 24 24.537 -2.029 0.223 155 H GLY 25 HN GLY 25 25.204 0.352 -3.029 156 HA2 GLY 25 HA2 GLY 25 26.538 2.508 -3.870 157 HA3 GLY 25 HA1 GLY 25 27.067 1.317 -5.054 158 H GLY 26 HN GLY 26 25.945 1.390 -6.884 159 HA2 GLY 26 HA2 GLY 26 24.157 1.448 -8.342 160 HA3 GLY 26 HA1 GLY 26 23.089 1.274 -6.953 161 H CYS 27 HN CYS 27 25.293 3.723 -8.339 162 HA CYS 27 HA CYS 27 23.649 5.873 -7.305 163 HB2 CYS 27 HB2 CYS 27 26.224 5.867 -7.542 164 HB3 CYS 27 HB1 CYS 27 25.921 6.218 -9.245 165 H TYR 28 HN TYR 28 22.394 7.256 -8.469 166 HA TYR 28 HA TYR 28 20.648 7.415 -10.049 167 HB2 TYR 28 HB2 TYR 28 21.615 8.509 -12.079 168 HB3 TYR 28 HB1 TYR 28 22.188 9.196 -10.559 169 HD1 TYR 28 HD1 TYR 28 23.070 7.011 -13.412 170 HD2 TYR 28 HD2 TYR 28 24.472 8.941 -9.842 171 HE1 TYR 28 HE1 TYR 28 25.409 6.506 -14.059 172 HE2 TYR 28 HE2 TYR 28 26.811 8.436 -10.486 173 HH TYR 28 HH TYR 28 28.028 6.846 -11.892 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 14.075 -9.096 0.965 2 H2 CYS 1 HT2 CYS 1 15.561 -9.341 0.181 3 H3 CYS 1 HT3 CYS 1 14.205 -8.828 -0.704 4 HA CYS 1 HA CYS 1 14.794 -7.072 1.476 5 HB2 CYS 1 HB2 CYS 1 17.096 -7.752 1.041 6 HB3 CYS 1 HB1 CYS 1 16.869 -7.512 -0.691 7 H CYS 2 HN CYS 2 14.311 -4.946 0.830 8 HA CYS 2 HA CYS 2 12.557 -4.755 -1.455 9 HB2 CYS 2 HB2 CYS 2 12.504 -3.538 0.919 10 HB3 CYS 2 HB1 CYS 2 13.435 -2.330 0.036 11 H ILE 3 HN ILE 3 15.147 -2.512 -0.500 12 HA ILE 3 HA ILE 3 15.840 -2.230 -3.350 13 HB ILE 3 HB ILE 3 15.136 -0.192 -2.002 14 HG12 ILE 3 HG12 ILE 3 16.974 1.205 -2.943 15 HG13 ILE 3 HG11 ILE 3 17.902 -0.261 -3.250 16 HG21 ILE 3 HG21 ILE 3 17.915 -0.425 -0.830 17 HG22 ILE 3 HG22 ILE 3 16.484 -0.992 0.031 18 HG23 ILE 3 HG23 ILE 3 16.643 0.713 -0.392 19 HD11 ILE 3 HD11 ILE 3 16.219 -1.083 -4.783 20 HD12 ILE 3 HD12 ILE 3 16.626 0.567 -5.254 21 HD13 ILE 3 HD13 ILE 3 15.134 0.244 -4.371 22 H DBB 4 HN DBB 4 16.727 -4.369 -1.460 23 HA DBB 4 HA DBB 4 19.122 -5.107 -2.268 24 HB2 DBB 4 HB2 DBB 4 18.876 -6.545 -0.551 25 HG1 DBB 4 HG1 DBB 4 19.538 -5.915 1.723 26 HG2 DBB 4 HG2 DBB 4 19.386 -4.205 1.317 27 HG3 DBB 4 HG3 DBB 4 20.653 -5.179 0.570 28 H GLY 5 HN GLY 5 18.666 -2.533 0.131 29 HA2 GLY 5 HA2 GLY 5 21.111 -1.239 -0.744 30 HA3 GLY 5 HA1 GLY 5 19.963 -0.621 0.441 31 H GLU 6 HN GLU 6 21.063 -0.265 2.268 32 HA GLU 6 HA GLU 6 22.591 -2.505 3.413 33 HB2 GLU 6 HB2 GLU 6 23.551 0.355 3.187 34 HB3 GLU 6 HB1 GLU 6 24.319 -0.876 4.190 35 HG2 GLU 6 HG2 GLU 6 23.892 -1.103 1.197 36 HG3 GLU 6 HG1 GLU 6 25.415 -0.658 1.966 37 H SER 7 HN SER 7 20.053 -0.535 3.737 38 HA SER 7 HA SER 7 19.815 -0.989 6.553 39 HB2 SER 7 HB2 SER 7 20.773 1.636 5.591 40 HB3 SER 7 HB1 SER 7 19.448 1.688 6.751 41 HG SER 7 HG SER 7 21.912 1.423 7.351 42 HA PRO 8 HA PRO 8 15.887 1.308 5.145 43 HB2 PRO 8 HB2 PRO 8 15.908 2.653 2.768 44 HB3 PRO 8 HB1 PRO 8 16.408 3.387 4.305 45 HG2 PRO 8 HG2 PRO 8 18.081 2.284 2.102 46 HG3 PRO 8 HG1 PRO 8 18.331 3.728 3.099 47 HD2 PRO 8 HD2 PRO 8 19.643 1.364 3.541 48 HD3 PRO 8 HD1 PRO 8 19.287 2.534 4.832 49 H GLY 9 HN GLY 9 14.118 0.510 3.998 50 HA2 GLY 9 HA2 GLY 9 14.657 -1.843 2.375 51 HA3 GLY 9 HA1 GLY 9 13.087 -1.329 2.986 52 H DAL 10 HN DAL 10 11.742 -0.902 1.368 53 HA DAL 10 HA DAL 10 10.955 0.476 -0.384 54 HB1 DAL 10 HB2 DAL 10 12.919 -1.233 -1.901 55 HB2 DAL 10 HB3 DAL 10 11.307 -0.714 -2.391 56 H ALA 11 HN ALA 11 12.853 2.009 0.864 57 HA ALA 11 HA ALA 11 13.745 4.081 0.188 58 HB1 ALA 11 HB1 ALA 11 15.857 3.645 0.754 59 HB2 ALA 11 HB2 ALA 11 16.148 2.901 -0.818 60 HB3 ALA 11 HB3 ALA 11 15.549 1.925 0.525 61 HA PRO 12 HA PRO 12 12.747 3.405 -4.360 62 HB2 PRO 12 HB2 PRO 12 11.324 5.951 -3.796 63 HB3 PRO 12 HB1 PRO 12 10.758 4.514 -4.667 64 HG2 PRO 12 HG2 PRO 12 9.923 5.145 -2.187 65 HG3 PRO 12 HG1 PRO 12 10.043 3.479 -2.767 66 HD2 PRO 12 HD2 PRO 12 11.769 4.933 -0.838 67 HD3 PRO 12 HD1 PRO 12 11.452 3.191 -0.982 68 H DBB 13 HN DBB 13 14.007 4.328 -5.913 69 HA DBB 13 HA DBB 13 14.785 6.882 -6.348 70 HB2 DBB 13 HB2 DBB 13 16.625 6.055 -7.590 71 HG1 DBB 13 HG1 DBB 13 15.721 4.183 -8.765 72 HG2 DBB 13 HG2 DBB 13 14.325 5.075 -8.161 73 HG3 DBB 13 HG3 DBB 13 14.860 3.610 -7.336 74 H ASN 14 HN ASN 14 15.728 4.858 -3.728 75 HA ASN 14 HA ASN 14 17.367 7.043 -2.625 76 HB2 ASN 14 HB2 ASN 14 15.519 6.467 -1.204 77 HB3 ASN 14 HB1 ASN 14 15.896 4.747 -1.310 78 HD21 ASN 14 HD21 ASN 14 17.672 3.938 -0.015 79 HD22 ASN 14 HD22 ASN 14 18.435 4.898 1.167 80 H ASP 15 HN ASP 15 17.341 3.584 -3.303 81 HA ASP 15 HA ASP 15 20.273 3.556 -3.122 82 HB2 ASP 15 HB2 ASP 15 18.381 1.789 -1.582 83 HB3 ASP 15 HB1 ASP 15 20.024 1.280 -1.953 84 H TYR 16 HN TYR 16 21.251 1.802 -4.256 85 HA TYR 16 HA TYR 16 21.386 0.120 -5.843 86 HB2 TYR 16 HB2 TYR 16 18.777 -0.192 -4.902 87 HB3 TYR 16 HB1 TYR 16 18.604 -0.037 -6.651 88 HD1 TYR 16 HD1 TYR 16 19.492 -2.223 -3.963 89 HD2 TYR 16 HD2 TYR 16 20.197 -1.459 -8.129 90 HE1 TYR 16 HE1 TYR 16 20.315 -4.543 -4.244 91 HE2 TYR 16 HE2 TYR 16 21.021 -3.781 -8.412 92 HH TYR 16 HH TYR 16 20.635 -6.181 -5.965 93 H LYS 17 HN LYS 17 22.390 1.911 -6.984 94 HA LYS 17 HA LYS 17 22.736 3.064 -8.940 95 HB2 LYS 17 HB2 LYS 17 20.155 1.686 -9.715 96 HB3 LYS 17 HB1 LYS 17 21.120 2.669 -10.819 97 HG2 LYS 17 HG2 LYS 17 23.057 1.196 -10.459 98 HG3 LYS 17 HG1 LYS 17 22.114 0.219 -9.333 99 HD2 LYS 17 HD2 LYS 17 20.545 -0.374 -11.116 100 HD3 LYS 17 HD1 LYS 17 21.412 0.661 -12.251 101 HE2 LYS 17 HE2 LYS 17 22.097 -1.677 -12.550 102 HE3 LYS 17 HE1 LYS 17 23.447 -0.723 -11.934 103 HZ1 LYS 17 HZ1 LYS 17 23.120 -2.870 -10.775 104 HZ2 LYS 17 HZ2 LYS 17 21.616 -2.309 -10.220 105 HZ3 LYS 17 HZ3 LYS 17 23.047 -1.527 -9.742 106 H CYS 18 HN CYS 18 20.212 3.598 -6.825 107 HA CYS 18 HA CYS 18 18.768 5.674 -8.100 108 HB2 CYS 18 HB2 CYS 18 19.275 5.064 -5.185 109 HB3 CYS 18 HB1 CYS 18 18.213 6.357 -5.735 110 H DBB 19 HN DBB 19 21.608 5.713 -5.975 111 HA DBB 19 HA DBB 19 22.264 8.385 -7.013 112 HB2 DBB 19 HB2 DBB 19 24.317 7.235 -5.349 113 HG1 DBB 19 HG1 DBB 19 25.257 8.616 -6.885 114 HG2 DBB 19 HG2 DBB 19 23.920 8.412 -8.018 115 HG3 DBB 19 HG3 DBB 19 25.211 7.212 -7.952 116 H LYS 20 HN LYS 20 21.682 6.610 -4.017 117 HA LYS 20 HA LYS 20 22.265 8.951 -2.382 118 HB2 LYS 20 HB2 LYS 20 19.689 8.642 -3.408 119 HB3 LYS 20 HB1 LYS 20 19.583 8.021 -1.762 120 HG2 LYS 20 HG2 LYS 20 20.519 10.073 -0.866 121 HG3 LYS 20 HG1 LYS 20 20.826 10.685 -2.491 122 HD2 LYS 20 HD2 LYS 20 18.380 10.619 -2.950 123 HD3 LYS 20 HD1 LYS 20 18.107 10.099 -1.285 124 HE2 LYS 20 HE2 LYS 20 19.534 12.664 -2.038 125 HE3 LYS 20 HE1 LYS 20 17.820 12.575 -1.632 126 HZ1 LYS 20 HZ1 LYS 20 18.379 12.679 0.491 127 HZ2 LYS 20 HZ2 LYS 20 20.033 12.677 0.102 128 HZ3 LYS 20 HZ3 LYS 20 19.215 11.208 0.348 129 H GLY 21 HN GLY 21 23.802 7.150 -1.760 130 HA2 GLY 21 HA2 GLY 21 22.839 5.917 0.664 131 HA3 GLY 21 HA1 GLY 21 23.204 4.752 -0.603 132 H ARG 22 HN ARG 22 24.489 5.565 2.079 133 HA ARG 22 HA ARG 22 27.133 6.457 1.297 134 HB2 ARG 22 HB2 ARG 22 26.138 7.096 3.475 135 HB3 ARG 22 HB1 ARG 22 26.160 5.400 3.960 136 HG2 ARG 22 HG2 ARG 22 28.591 5.328 3.741 137 HG3 ARG 22 HG1 ARG 22 28.611 6.986 3.140 138 HD2 ARG 22 HD2 ARG 22 29.183 6.994 5.506 139 HD3 ARG 22 HD1 ARG 22 27.604 7.741 5.291 140 HE ARG 22 HE ARG 22 27.317 4.956 5.805 141 HH11 ARG 22 HH11 ARG 22 28.128 7.982 7.273 142 HH12 ARG 22 HH12 ARG 22 27.589 7.517 8.852 143 HH21 ARG 22 HH21 ARG 22 26.608 4.339 7.873 144 HH22 ARG 22 HH22 ARG 22 26.728 5.456 9.192 145 H GLY 23 HN GLY 23 25.483 3.457 1.643 146 HA2 GLY 23 HA2 GLY 23 27.327 1.604 2.403 147 HA3 GLY 23 HA1 GLY 23 26.190 1.320 1.088 148 HA PRO 24 HA PRO 24 30.810 1.925 -0.281 149 HB2 PRO 24 HB2 PRO 24 31.660 -0.702 -0.171 150 HB3 PRO 24 HB1 PRO 24 31.969 0.504 1.093 151 HG2 PRO 24 HG2 PRO 24 29.908 -1.636 0.981 152 HG3 PRO 24 HG1 PRO 24 30.854 -1.047 2.358 153 HD2 PRO 24 HD2 PRO 24 28.256 -0.334 1.978 154 HD3 PRO 24 HD1 PRO 24 29.440 0.753 2.741 155 H GLY 25 HN GLY 25 28.296 -0.434 -0.846 156 HA2 GLY 25 HA2 GLY 25 29.212 -0.914 -3.597 157 HA3 GLY 25 HA1 GLY 25 27.937 -1.797 -2.759 158 H GLY 26 HN GLY 26 27.971 -0.388 -5.400 159 HA2 GLY 26 HA2 GLY 26 26.757 1.223 -6.579 160 HA3 GLY 26 HA1 GLY 26 25.432 0.426 -5.732 161 H CYS 27 HN CYS 27 24.375 2.534 -5.842 162 HA CYS 27 HA CYS 27 25.406 4.822 -4.525 163 HB2 CYS 27 HB2 CYS 27 22.582 3.987 -5.200 164 HB3 CYS 27 HB1 CYS 27 22.991 5.550 -4.496 165 H TYR 28 HN TYR 28 23.417 2.108 -3.436 166 HA TYR 28 HA TYR 28 22.611 3.020 -0.951 167 HB2 TYR 28 HB2 TYR 28 22.806 0.564 -0.264 168 HB3 TYR 28 HB1 TYR 28 21.786 0.921 -1.655 169 HD1 TYR 28 HD1 TYR 28 24.919 -0.595 -0.515 170 HD2 TYR 28 HD2 TYR 28 22.553 0.447 -3.947 171 HE1 TYR 28 HE1 TYR 28 26.316 -2.075 -1.927 172 HE2 TYR 28 HE2 TYR 28 23.951 -1.035 -5.359 173 HH TYR 28 HH TYR 28 26.894 -2.474 -4.164 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 13.771 -8.734 3.610 2 H2 CYS 1 HT2 CYS 1 12.385 -7.782 3.357 3 H3 CYS 1 HT3 CYS 1 13.244 -7.665 4.817 4 HA CYS 1 HA CYS 1 14.012 -5.812 3.749 5 HB2 CYS 1 HB2 CYS 1 15.836 -7.558 4.289 6 HB3 CYS 1 HB1 CYS 1 15.881 -7.858 2.552 7 H CYS 2 HN CYS 2 14.106 -4.554 1.904 8 HA CYS 2 HA CYS 2 12.765 -5.655 -0.437 9 HB2 CYS 2 HB2 CYS 2 12.236 -3.484 -0.984 10 HB3 CYS 2 HB1 CYS 2 12.453 -3.293 0.756 11 H ILE 3 HN ILE 3 15.841 -4.077 0.374 12 HA ILE 3 HA ILE 3 16.943 -5.088 -2.178 13 HB ILE 3 HB ILE 3 16.715 -2.526 -1.798 14 HG12 ILE 3 HG12 ILE 3 19.552 -3.190 -2.393 15 HG13 ILE 3 HG11 ILE 3 18.339 -4.036 -3.356 16 HG21 ILE 3 HG21 ILE 3 19.359 -2.621 -0.490 17 HG22 ILE 3 HG22 ILE 3 18.017 -3.121 0.540 18 HG23 ILE 3 HG23 ILE 3 18.004 -1.526 -0.212 19 HD11 ILE 3 HD11 ILE 3 17.686 -1.214 -3.067 20 HD12 ILE 3 HD12 ILE 3 17.861 -2.173 -4.537 21 HD13 ILE 3 HD13 ILE 3 19.280 -1.436 -3.790 22 H DBB 4 HN DBB 4 16.825 -5.878 0.894 23 HA DBB 4 HA DBB 4 18.697 -7.686 1.209 24 HB2 DBB 4 HB2 DBB 4 18.172 -7.529 3.396 25 HG1 DBB 4 HG1 DBB 4 19.237 -4.692 3.486 26 HG2 DBB 4 HG2 DBB 4 20.274 -6.112 3.620 27 HG3 DBB 4 HG3 DBB 4 19.038 -5.804 4.840 28 H GLY 5 HN GLY 5 19.489 -4.251 1.755 29 HA2 GLY 5 HA2 GLY 5 22.333 -4.907 1.274 30 HA3 GLY 5 HA1 GLY 5 21.566 -3.544 0.468 31 H GLU 6 HN GLU 6 22.165 -1.680 1.362 32 HA GLU 6 HA GLU 6 22.639 -1.591 4.273 33 HB2 GLU 6 HB2 GLU 6 24.571 -0.973 2.866 34 HB3 GLU 6 HB1 GLU 6 23.604 0.292 2.109 35 HG2 GLU 6 HG2 GLU 6 24.927 1.315 3.856 36 HG3 GLU 6 HG1 GLU 6 23.249 1.291 4.389 37 H SER 7 HN SER 7 20.452 -0.732 1.884 38 HA SER 7 HA SER 7 19.570 1.777 2.949 39 HB2 SER 7 HB2 SER 7 17.681 0.134 1.368 40 HB3 SER 7 HB1 SER 7 18.127 1.828 1.188 41 HG SER 7 HG SER 7 20.282 0.794 0.573 42 HA PRO 8 HA PRO 8 16.995 0.440 6.243 43 HB2 PRO 8 HB2 PRO 8 14.904 2.221 6.023 44 HB3 PRO 8 HB1 PRO 8 16.489 2.630 6.705 45 HG2 PRO 8 HG2 PRO 8 15.396 3.178 3.994 46 HG3 PRO 8 HG1 PRO 8 16.421 4.191 5.026 47 HD2 PRO 8 HD2 PRO 8 17.406 2.777 2.910 48 HD3 PRO 8 HD1 PRO 8 18.370 3.132 4.361 49 H GLY 9 HN GLY 9 15.750 0.554 3.011 50 HA2 GLY 9 HA2 GLY 9 14.427 -1.846 2.999 51 HA3 GLY 9 HA1 GLY 9 13.217 -0.691 3.547 52 H DAL 10 HN DAL 10 12.104 -1.307 1.533 53 HA DAL 10 HA DAL 10 11.371 -0.749 -0.574 54 HB1 DAL 10 HB2 DAL 10 13.994 -0.394 -1.785 55 HB2 DAL 10 HB3 DAL 10 12.753 -1.597 -2.132 56 H ALA 11 HN ALA 11 14.455 1.008 -0.700 57 HA ALA 11 HA ALA 11 12.920 3.528 -0.806 58 HB1 ALA 11 HB1 ALA 11 14.551 4.567 0.401 59 HB2 ALA 11 HB2 ALA 11 15.843 3.608 -0.324 60 HB3 ALA 11 HB3 ALA 11 14.861 2.928 0.974 61 HA PRO 12 HA PRO 12 14.617 2.727 -5.063 62 HB2 PRO 12 HB2 PRO 12 12.500 4.106 -6.238 63 HB3 PRO 12 HB1 PRO 12 12.563 2.352 -5.990 64 HG2 PRO 12 HG2 PRO 12 11.188 4.442 -4.387 65 HG3 PRO 12 HG1 PRO 12 10.679 2.788 -4.768 66 HD2 PRO 12 HD2 PRO 12 11.675 3.442 -2.333 67 HD3 PRO 12 HD1 PRO 12 11.969 1.852 -3.071 68 H DBB 13 HN DBB 13 15.807 4.167 -6.272 69 HA DBB 13 HA DBB 13 15.407 7.001 -6.214 70 HB2 DBB 13 HB2 DBB 13 16.446 6.320 -8.165 71 HG1 DBB 13 HG1 DBB 13 17.657 4.284 -6.390 72 HG2 DBB 13 HG2 DBB 13 18.627 4.768 -7.780 73 HG3 DBB 13 HG3 DBB 13 17.006 4.120 -8.021 74 H ASN 14 HN ASN 14 16.296 5.031 -3.838 75 HA ASN 14 HA ASN 14 18.165 6.976 -2.624 76 HB2 ASN 14 HB2 ASN 14 15.827 6.911 -1.663 77 HB3 ASN 14 HB1 ASN 14 16.160 5.255 -1.153 78 HD21 ASN 14 HD21 ASN 14 16.177 5.722 1.134 79 HD22 ASN 14 HD22 ASN 14 17.383 6.686 1.852 80 H ASP 15 HN ASP 15 18.116 4.033 -3.971 81 HA ASP 15 HA ASP 15 20.285 3.069 -2.239 82 HB2 ASP 15 HB2 ASP 15 18.262 1.921 -1.465 83 HB3 ASP 15 HB1 ASP 15 17.933 1.379 -3.109 84 H TYR 16 HN TYR 16 18.693 1.139 -4.673 85 HA TYR 16 HA TYR 16 21.156 0.894 -6.160 86 HB2 TYR 16 HB2 TYR 16 19.490 -0.977 -5.757 87 HB3 TYR 16 HB1 TYR 16 18.439 -0.179 -6.928 88 HD1 TYR 16 HD1 TYR 16 21.288 -2.337 -6.467 89 HD2 TYR 16 HD2 TYR 16 19.360 0.289 -9.270 90 HE1 TYR 16 HE1 TYR 16 22.567 -3.376 -8.321 91 HE2 TYR 16 HE2 TYR 16 20.638 -0.753 -11.123 92 HH TYR 16 HH TYR 16 21.766 -3.084 -11.494 93 H LYS 17 HN LYS 17 21.719 1.944 -7.962 94 HA LYS 17 HA LYS 17 21.532 3.159 -9.922 95 HB2 LYS 17 HB2 LYS 17 19.065 1.981 -9.768 96 HB3 LYS 17 HB1 LYS 17 18.644 3.694 -9.730 97 HG2 LYS 17 HG2 LYS 17 19.892 4.101 -11.771 98 HG3 LYS 17 HG1 LYS 17 20.493 2.444 -11.780 99 HD2 LYS 17 HD2 LYS 17 18.220 1.588 -12.069 100 HD3 LYS 17 HD1 LYS 17 17.569 3.223 -11.975 101 HE2 LYS 17 HE2 LYS 17 17.695 2.788 -14.298 102 HE3 LYS 17 HE1 LYS 17 19.130 3.756 -13.963 103 HZ1 LYS 17 HZ1 LYS 17 19.747 1.881 -15.288 104 HZ2 LYS 17 HZ2 LYS 17 19.000 0.802 -14.209 105 HZ3 LYS 17 HZ3 LYS 17 20.383 1.664 -13.732 106 H CYS 18 HN CYS 18 20.924 4.108 -6.855 107 HA CYS 18 HA CYS 18 20.943 6.955 -7.630 108 HB2 CYS 18 HB2 CYS 18 19.060 5.566 -5.803 109 HB3 CYS 18 HB1 CYS 18 19.696 7.111 -5.243 110 H DBB 19 HN DBB 19 22.739 7.891 -6.911 111 HA DBB 19 HA DBB 19 24.632 8.317 -5.678 112 HB2 DBB 19 HB2 DBB 19 24.167 5.414 -5.004 113 HG1 DBB 19 HG1 DBB 19 26.300 7.293 -3.954 114 HG2 DBB 19 HG2 DBB 19 26.482 5.538 -3.959 115 HG3 DBB 19 HG3 DBB 19 25.198 6.289 -3.012 116 H LYS 20 HN LYS 20 21.651 8.121 -4.527 117 HA LYS 20 HA LYS 20 22.191 9.567 -2.160 118 HB2 LYS 20 HB2 LYS 20 19.680 8.189 -3.124 119 HB3 LYS 20 HB1 LYS 20 19.745 9.227 -1.698 120 HG2 LYS 20 HG2 LYS 20 20.545 11.100 -3.082 121 HG3 LYS 20 HG1 LYS 20 20.511 10.067 -4.512 122 HD2 LYS 20 HD2 LYS 20 18.067 9.730 -4.175 123 HD3 LYS 20 HD1 LYS 20 18.125 10.844 -2.808 124 HE2 LYS 20 HE2 LYS 20 18.981 11.564 -5.624 125 HE3 LYS 20 HE1 LYS 20 17.398 11.937 -4.946 126 HZ1 LYS 20 HZ1 LYS 20 18.377 13.302 -3.302 127 HZ2 LYS 20 HZ2 LYS 20 19.078 13.755 -4.781 128 HZ3 LYS 20 HZ3 LYS 20 19.945 12.785 -3.690 129 H GLY 21 HN GLY 21 21.264 6.217 -2.718 130 HA2 GLY 21 HA2 GLY 21 21.084 5.475 0.021 131 HA3 GLY 21 HA1 GLY 21 21.242 4.371 -1.340 132 H ARG 22 HN ARG 22 23.684 5.238 -2.389 133 HA ARG 22 HA ARG 22 25.927 4.797 -2.180 134 HB2 ARG 22 HB2 ARG 22 25.802 6.852 -0.819 135 HB3 ARG 22 HB1 ARG 22 25.499 5.872 0.614 136 HG2 ARG 22 HG2 ARG 22 27.659 4.718 0.279 137 HG3 ARG 22 HG1 ARG 22 27.967 5.717 -1.143 138 HD2 ARG 22 HD2 ARG 22 27.765 7.747 0.324 139 HD3 ARG 22 HD1 ARG 22 27.661 6.672 1.715 140 HE ARG 22 HE ARG 22 29.964 5.985 0.256 141 HH11 ARG 22 HH11 ARG 22 28.640 8.595 2.102 142 HH12 ARG 22 HH12 ARG 22 30.180 9.175 2.643 143 HH21 ARG 22 HH21 ARG 22 31.985 6.737 0.963 144 HH22 ARG 22 HH22 ARG 22 32.074 8.123 1.999 145 H GLY 23 HN GLY 23 25.412 2.521 -2.329 146 HA2 GLY 23 HA2 GLY 23 25.953 1.080 0.203 147 HA3 GLY 23 HA1 GLY 23 24.852 0.463 -1.026 148 HA PRO 24 HA PRO 24 29.035 -1.431 -1.740 149 HB2 PRO 24 HB2 PRO 24 27.999 -3.912 -2.343 150 HB3 PRO 24 HB1 PRO 24 28.452 -3.394 -0.707 151 HG2 PRO 24 HG2 PRO 24 25.767 -3.517 -1.980 152 HG3 PRO 24 HG1 PRO 24 26.250 -3.897 -0.318 153 HD2 PRO 24 HD2 PRO 24 25.017 -1.557 -0.980 154 HD3 PRO 24 HD1 PRO 24 26.183 -1.681 0.357 155 H GLY 25 HN GLY 25 26.072 -1.213 -3.536 156 HA2 GLY 25 HA2 GLY 25 27.561 -1.018 -6.037 157 HA3 GLY 25 HA1 GLY 25 26.378 -2.321 -5.945 158 H GLY 26 HN GLY 26 25.217 -1.293 -7.675 159 HA2 GLY 26 HA2 GLY 26 23.469 -0.039 -8.490 160 HA3 GLY 26 HA1 GLY 26 23.060 0.313 -6.814 161 H CYS 27 HN CYS 27 22.818 2.457 -6.643 162 HA CYS 27 HA CYS 27 23.405 4.681 -6.549 163 HB2 CYS 27 HB2 CYS 27 25.687 3.728 -5.965 164 HB3 CYS 27 HB1 CYS 27 26.095 3.896 -7.673 165 H TYR 28 HN TYR 28 23.042 6.350 -7.922 166 HA TYR 28 HA TYR 28 22.051 7.035 -9.961 167 HB2 TYR 28 HB2 TYR 28 25.040 6.892 -10.417 168 HB3 TYR 28 HB1 TYR 28 23.918 7.827 -11.405 169 HD1 TYR 28 HD1 TYR 28 25.873 7.759 -8.381 170 HD2 TYR 28 HD2 TYR 28 22.478 9.604 -10.255 171 HE1 TYR 28 HE1 TYR 28 25.984 9.622 -6.748 172 HE2 TYR 28 HE2 TYR 28 22.587 11.467 -8.622 173 HH TYR 28 HH TYR 28 25.245 11.728 -6.312 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 12.939 -6.702 3.631 2 H2 CYS 1 HT2 CYS 1 11.968 -5.984 2.436 3 H3 CYS 1 HT3 CYS 1 12.222 -5.192 3.917 4 HA CYS 1 HA CYS 1 13.705 -4.056 2.645 5 HB2 CYS 1 HB2 CYS 1 14.973 -5.080 4.459 6 HB3 CYS 1 HB1 CYS 1 15.188 -6.554 3.516 7 H CYS 2 HN CYS 2 14.707 -3.762 0.663 8 HA CYS 2 HA CYS 2 14.037 -5.742 -1.376 9 HB2 CYS 2 HB2 CYS 2 15.257 -2.981 -1.634 10 HB3 CYS 2 HB1 CYS 2 14.690 -3.989 -2.966 11 H ILE 3 HN ILE 3 16.912 -3.681 -1.050 12 HA ILE 3 HA ILE 3 18.619 -5.635 -2.251 13 HB ILE 3 HB ILE 3 19.031 -2.969 -0.940 14 HG12 ILE 3 HG12 ILE 3 20.307 -3.347 -3.470 15 HG13 ILE 3 HG11 ILE 3 18.674 -4.011 -3.572 16 HG21 ILE 3 HG21 ILE 3 20.949 -4.112 -0.132 17 HG22 ILE 3 HG22 ILE 3 21.497 -3.319 -1.609 18 HG23 ILE 3 HG23 ILE 3 21.122 -5.043 -1.619 19 HD11 ILE 3 HD11 ILE 3 18.361 -1.741 -4.115 20 HD12 ILE 3 HD12 ILE 3 19.521 -1.197 -2.902 21 HD13 ILE 3 HD13 ILE 3 17.944 -1.807 -2.402 22 H DBB 4 HN DBB 4 17.250 -5.506 0.740 23 HA DBB 4 HA DBB 4 18.172 -7.661 1.930 24 HB2 DBB 4 HB2 DBB 4 17.216 -6.803 3.792 25 HG1 DBB 4 HG1 DBB 4 19.130 -4.447 3.685 26 HG2 DBB 4 HG2 DBB 4 19.503 -5.978 4.478 27 HG3 DBB 4 HG3 DBB 4 18.180 -4.976 5.074 28 H GLY 5 HN GLY 5 19.972 -4.601 2.133 29 HA2 GLY 5 HA2 GLY 5 22.286 -5.836 3.315 30 HA3 GLY 5 HA1 GLY 5 22.501 -5.515 1.597 31 H GLU 6 HN GLU 6 20.529 -3.157 2.120 32 HA GLU 6 HA GLU 6 22.640 -1.237 2.749 33 HB2 GLU 6 HB2 GLU 6 20.196 0.080 2.141 34 HB3 GLU 6 HB1 GLU 6 21.655 -0.012 1.156 35 HG2 GLU 6 HG2 GLU 6 19.910 -0.918 -0.196 36 HG3 GLU 6 HG1 GLU 6 20.830 -2.304 0.386 37 H SER 7 HN SER 7 19.188 -1.437 3.493 38 HA SER 7 HA SER 7 19.082 -1.670 6.158 39 HB2 SER 7 HB2 SER 7 20.473 0.810 5.500 40 HB3 SER 7 HB1 SER 7 19.087 1.074 6.550 41 HG SER 7 HG SER 7 20.288 0.308 8.083 42 HA PRO 8 HA PRO 8 15.475 1.341 5.169 43 HB2 PRO 8 HB2 PRO 8 15.595 2.699 2.780 44 HB3 PRO 8 HB1 PRO 8 16.207 3.341 4.316 45 HG2 PRO 8 HG2 PRO 8 17.688 2.091 2.061 46 HG3 PRO 8 HG1 PRO 8 18.146 3.452 3.099 47 HD2 PRO 8 HD2 PRO 8 19.158 0.935 3.434 48 HD3 PRO 8 HD1 PRO 8 18.951 2.079 4.778 49 H GLY 9 HN GLY 9 16.967 -0.650 2.790 50 HA2 GLY 9 HA2 GLY 9 16.099 -2.334 1.469 51 HA3 GLY 9 HA1 GLY 9 14.528 -2.030 2.203 52 H DAL 10 HN DAL 10 13.094 -1.658 0.632 53 HA DAL 10 HA DAL 10 12.075 -0.189 -0.923 54 HB1 DAL 10 HB2 DAL 10 14.150 -1.377 -2.737 55 HB2 DAL 10 HB3 DAL 10 12.423 -1.156 -3.013 56 H ALA 11 HN ALA 11 13.491 1.620 0.334 57 HA ALA 11 HA ALA 11 14.135 3.811 -0.231 58 HB1 ALA 11 HB1 ALA 11 16.482 1.942 -0.487 59 HB2 ALA 11 HB2 ALA 11 16.071 3.022 0.846 60 HB3 ALA 11 HB3 ALA 11 16.681 3.684 -0.669 61 HA PRO 12 HA PRO 12 13.731 3.111 -4.864 62 HB2 PRO 12 HB2 PRO 12 11.801 5.116 -5.083 63 HB3 PRO 12 HB1 PRO 12 11.460 3.380 -4.954 64 HG2 PRO 12 HG2 PRO 12 11.380 5.487 -2.862 65 HG3 PRO 12 HG1 PRO 12 10.341 4.069 -3.084 66 HD2 PRO 12 HD2 PRO 12 12.287 4.132 -1.195 67 HD3 PRO 12 HD1 PRO 12 11.846 2.630 -2.041 68 H DBB 13 HN DBB 13 14.997 4.270 -6.228 69 HA DBB 13 HA DBB 13 15.283 6.947 -6.587 70 HB2 DBB 13 HB2 DBB 13 17.237 6.488 -7.734 71 HG1 DBB 13 HG1 DBB 13 15.407 4.663 -8.112 72 HG2 DBB 13 HG2 DBB 13 16.517 3.606 -7.239 73 HG3 DBB 13 HG3 DBB 13 17.028 4.374 -8.742 74 H ASN 14 HN ASN 14 16.235 5.094 -3.855 75 HA ASN 14 HA ASN 14 17.443 7.492 -2.618 76 HB2 ASN 14 HB2 ASN 14 15.273 6.857 -1.640 77 HB3 ASN 14 HB1 ASN 14 15.896 5.239 -1.307 78 HD21 ASN 14 HD21 ASN 14 15.745 5.487 1.025 79 HD22 ASN 14 HD22 ASN 14 16.772 6.542 1.878 80 H ASP 15 HN ASP 15 18.238 4.588 -3.899 81 HA ASP 15 HA ASP 15 20.721 4.466 -2.396 82 HB2 ASP 15 HB2 ASP 15 19.256 3.063 -1.027 83 HB3 ASP 15 HB1 ASP 15 18.806 2.123 -2.449 84 H TYR 16 HN TYR 16 19.242 1.809 -4.148 85 HA TYR 16 HA TYR 16 21.456 1.587 -5.935 86 HB2 TYR 16 HB2 TYR 16 20.072 -0.339 -5.185 87 HB3 TYR 16 HB1 TYR 16 18.725 0.299 -6.127 88 HD1 TYR 16 HD1 TYR 16 22.023 -1.305 -6.265 89 HD2 TYR 16 HD2 TYR 16 18.797 0.325 -8.584 90 HE1 TYR 16 HE1 TYR 16 22.933 -2.396 -8.298 91 HE2 TYR 16 HE2 TYR 16 19.705 -0.767 -10.616 92 HH TYR 16 HH TYR 16 22.553 -2.891 -10.443 93 H LYS 17 HN LYS 17 21.757 2.435 -7.899 94 HA LYS 17 HA LYS 17 21.420 3.647 -9.816 95 HB2 LYS 17 HB2 LYS 17 18.971 2.107 -9.410 96 HB3 LYS 17 HB1 LYS 17 18.710 3.584 -10.339 97 HG2 LYS 17 HG2 LYS 17 20.436 2.969 -11.920 98 HG3 LYS 17 HG1 LYS 17 20.900 1.578 -10.940 99 HD2 LYS 17 HD2 LYS 17 19.510 0.775 -12.748 100 HD3 LYS 17 HD1 LYS 17 18.572 0.673 -11.257 101 HE2 LYS 17 HE2 LYS 17 17.450 2.787 -11.790 102 HE3 LYS 17 HE1 LYS 17 18.420 2.950 -13.253 103 HZ1 LYS 17 HZ1 LYS 17 16.574 1.966 -14.106 104 HZ2 LYS 17 HZ2 LYS 17 16.212 1.116 -12.680 105 HZ3 LYS 17 HZ3 LYS 17 17.453 0.573 -13.705 106 H CYS 18 HN CYS 18 21.273 4.977 -7.225 107 HA CYS 18 HA CYS 18 19.765 7.358 -8.086 108 HB2 CYS 18 HB2 CYS 18 19.824 6.849 -5.169 109 HB3 CYS 18 HB1 CYS 18 18.552 7.550 -6.169 110 H DBB 19 HN DBB 19 22.532 5.911 -6.670 111 HA DBB 19 HA DBB 19 23.929 8.456 -6.682 112 HB2 DBB 19 HB2 DBB 19 24.724 5.578 -6.369 113 HG1 DBB 19 HG1 DBB 19 26.334 8.013 -5.565 114 HG2 DBB 19 HG2 DBB 19 27.085 6.474 -5.988 115 HG3 DBB 19 HG3 DBB 19 26.001 6.574 -4.602 116 H LYS 20 HN LYS 20 21.884 7.125 -4.589 117 HA LYS 20 HA LYS 20 23.151 8.443 -2.292 118 HB2 LYS 20 HB2 LYS 20 20.312 7.537 -2.804 119 HB3 LYS 20 HB1 LYS 20 20.862 8.250 -1.285 120 HG2 LYS 20 HG2 LYS 20 21.571 10.279 -2.478 121 HG3 LYS 20 HG1 LYS 20 21.060 9.570 -4.010 122 HD2 LYS 20 HD2 LYS 20 18.741 9.441 -3.184 123 HD3 LYS 20 HD1 LYS 20 19.247 10.142 -1.647 124 HE2 LYS 20 HE2 LYS 20 19.989 12.182 -2.808 125 HE3 LYS 20 HE1 LYS 20 19.505 11.485 -4.354 126 HZ1 LYS 20 HZ1 LYS 20 17.311 11.728 -3.888 127 HZ2 LYS 20 HZ2 LYS 20 17.910 13.037 -2.985 128 HZ3 LYS 20 HZ3 LYS 20 17.518 11.575 -2.211 129 H GLY 21 HN GLY 21 22.887 5.389 -3.572 130 HA2 GLY 21 HA2 GLY 21 22.724 4.026 -0.974 131 HA3 GLY 21 HA1 GLY 21 22.665 3.253 -2.555 132 H ARG 22 HN ARG 22 24.527 3.584 0.108 133 HA ARG 22 HA ARG 22 27.100 3.617 -1.307 134 HB2 ARG 22 HB2 ARG 22 26.427 3.649 1.646 135 HB3 ARG 22 HB1 ARG 22 28.066 3.672 0.990 136 HG2 ARG 22 HG2 ARG 22 27.563 5.762 -0.217 137 HG3 ARG 22 HG1 ARG 22 25.921 5.743 0.430 138 HD2 ARG 22 HD2 ARG 22 28.412 5.788 2.151 139 HD3 ARG 22 HD1 ARG 22 27.499 7.227 1.709 140 HE ARG 22 HE ARG 22 25.698 5.393 2.828 141 HH11 ARG 22 HH11 ARG 22 28.484 7.253 3.697 142 HH12 ARG 22 HH12 ARG 22 28.027 7.418 5.359 143 HH21 ARG 22 HH21 ARG 22 25.092 5.603 5.006 144 HH22 ARG 22 HH22 ARG 22 26.106 6.483 6.102 145 H GLY 23 HN GLY 23 24.813 1.396 -0.598 146 HA2 GLY 23 HA2 GLY 23 26.098 -0.739 0.654 147 HA3 GLY 23 HA1 GLY 23 24.805 -0.905 -0.529 148 HA PRO 24 HA PRO 24 28.429 -3.141 -2.300 149 HB2 PRO 24 HB2 PRO 24 26.166 -4.168 -3.948 150 HB3 PRO 24 HB1 PRO 24 27.471 -5.058 -3.138 151 HG2 PRO 24 HG2 PRO 24 24.984 -5.048 -2.181 152 HG3 PRO 24 HG1 PRO 24 26.397 -5.058 -1.112 153 HD2 PRO 24 HD2 PRO 24 24.537 -2.807 -1.751 154 HD3 PRO 24 HD1 PRO 24 25.422 -3.150 -0.247 155 H GLY 25 HN GLY 25 25.718 -1.580 -3.989 156 HA2 GLY 25 HA2 GLY 25 27.304 0.135 -5.539 157 HA3 GLY 25 HA1 GLY 25 26.957 -1.294 -6.510 158 H GLY 26 HN GLY 26 25.875 0.437 -7.838 159 HA2 GLY 26 HA2 GLY 26 23.667 0.725 -8.706 160 HA3 GLY 26 HA1 GLY 26 23.037 0.577 -7.069 161 H CYS 27 HN CYS 27 24.087 2.721 -9.502 162 HA CYS 27 HA CYS 27 23.584 4.998 -7.705 163 HB2 CYS 27 HB2 CYS 27 26.082 4.567 -8.165 164 HB3 CYS 27 HB1 CYS 27 25.735 5.110 -9.808 165 H TYR 28 HN TYR 28 22.268 6.508 -8.535 166 HA TYR 28 HA TYR 28 20.506 7.086 -9.983 167 HB2 TYR 28 HB2 TYR 28 23.079 7.795 -11.409 168 HB3 TYR 28 HB1 TYR 28 21.495 8.433 -11.846 169 HD1 TYR 28 HD1 TYR 28 24.289 8.662 -9.543 170 HD2 TYR 28 HD2 TYR 28 20.180 9.761 -10.150 171 HE1 TYR 28 HE1 TYR 28 24.491 10.393 -7.777 172 HE2 TYR 28 HE2 TYR 28 20.382 11.491 -8.384 173 HH TYR 28 HH TYR 28 22.158 11.673 -6.185 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 13.089 -8.446 -0.723 2 H2 CYS 1 HT2 CYS 1 13.013 -8.965 0.894 3 H3 CYS 1 HT3 CYS 1 14.266 -9.505 -0.119 4 HA CYS 1 HA CYS 1 14.108 -7.141 1.458 5 HB2 CYS 1 HB2 CYS 1 15.947 -8.955 1.210 6 HB3 CYS 1 HB1 CYS 1 16.415 -8.073 -0.242 7 H CYS 2 HN CYS 2 14.367 -5.022 0.846 8 HA CYS 2 HA CYS 2 13.657 -4.361 -1.880 9 HB2 CYS 2 HB2 CYS 2 13.574 -3.059 0.677 10 HB3 CYS 2 HB1 CYS 2 14.438 -2.032 -0.468 11 H ILE 3 HN ILE 3 16.462 -3.880 0.241 12 HA ILE 3 HA ILE 3 18.086 -3.339 -2.170 13 HB ILE 3 HB ILE 3 17.672 -1.456 -0.375 14 HG12 ILE 3 HG12 ILE 3 20.148 -0.779 -0.732 15 HG13 ILE 3 HG11 ILE 3 20.276 -2.272 -1.662 16 HG21 ILE 3 HG21 ILE 3 18.338 -2.976 1.515 17 HG22 ILE 3 HG22 ILE 3 19.272 -1.482 1.444 18 HG23 ILE 3 HG23 ILE 3 19.976 -2.992 0.860 19 HD11 ILE 3 HD11 ILE 3 18.268 -0.059 -2.176 20 HD12 ILE 3 HD12 ILE 3 18.435 -1.540 -3.119 21 HD13 ILE 3 HD13 ILE 3 19.731 -0.345 -3.119 22 H DBB 4 HN DBB 4 17.397 -5.668 -0.064 23 HA DBB 4 HA DBB 4 19.209 -7.522 -0.510 24 HB2 DBB 4 HB2 DBB 4 18.401 -8.542 1.345 25 HG1 DBB 4 HG1 DBB 4 18.790 -7.754 3.612 26 HG2 DBB 4 HG2 DBB 4 19.181 -6.137 3.027 27 HG3 DBB 4 HG3 DBB 4 20.265 -7.485 2.684 28 H GLY 5 HN GLY 5 19.821 -4.978 1.898 29 HA2 GLY 5 HA2 GLY 5 22.622 -5.687 2.117 30 HA3 GLY 5 HA1 GLY 5 22.335 -4.204 1.213 31 H GLU 6 HN GLU 6 23.325 -2.880 2.750 32 HA GLU 6 HA GLU 6 22.118 -2.793 5.433 33 HB2 GLU 6 HB2 GLU 6 24.656 -1.586 4.310 34 HB3 GLU 6 HB1 GLU 6 24.056 -1.269 5.937 35 HG2 GLU 6 HG2 GLU 6 24.168 -3.653 6.477 36 HG3 GLU 6 HG1 GLU 6 24.682 -4.022 4.832 37 H SER 7 HN SER 7 21.803 -1.404 2.438 38 HA SER 7 HA SER 7 21.430 1.334 3.153 39 HB2 SER 7 HB2 SER 7 21.370 1.575 0.924 40 HB3 SER 7 HB1 SER 7 21.516 -0.174 0.773 41 HG SER 7 HG SER 7 19.478 1.305 0.092 42 HA PRO 8 HA PRO 8 17.241 1.413 4.472 43 HB2 PRO 8 HB2 PRO 8 15.997 3.288 2.926 44 HB3 PRO 8 HB1 PRO 8 17.200 3.696 4.164 45 HG2 PRO 8 HG2 PRO 8 17.512 3.502 1.212 46 HG3 PRO 8 HG1 PRO 8 18.215 4.665 2.350 47 HD2 PRO 8 HD2 PRO 8 19.601 2.526 1.329 48 HD3 PRO 8 HD1 PRO 8 19.970 3.268 2.899 49 H GLY 9 HN GLY 9 15.021 0.844 4.023 50 HA2 GLY 9 HA2 GLY 9 14.643 -1.338 2.363 51 HA3 GLY 9 HA1 GLY 9 13.335 -0.331 2.979 52 H DAL 10 HN DAL 10 12.216 -0.692 0.980 53 HA DAL 10 HA DAL 10 11.430 0.568 -0.884 54 HB1 DAL 10 HB2 DAL 10 13.770 -0.887 -2.101 55 HB2 DAL 10 HB3 DAL 10 12.160 -0.633 -2.775 56 H ALA 11 HN ALA 11 12.386 2.648 0.107 57 HA ALA 11 HA ALA 11 13.266 4.701 -0.446 58 HB1 ALA 11 HB1 ALA 11 15.770 3.096 -0.950 59 HB2 ALA 11 HB2 ALA 11 15.160 3.452 0.666 60 HB3 ALA 11 HB3 ALA 11 15.651 4.767 -0.401 61 HA PRO 12 HA PRO 12 12.831 3.599 -5.031 62 HB2 PRO 12 HB2 PRO 12 10.978 5.909 -4.769 63 HB3 PRO 12 HB1 PRO 12 10.742 4.366 -5.605 64 HG2 PRO 12 HG2 PRO 12 9.570 4.970 -3.249 65 HG3 PRO 12 HG1 PRO 12 9.981 3.320 -3.736 66 HD2 PRO 12 HD2 PRO 12 11.249 5.045 -1.694 67 HD3 PRO 12 HD1 PRO 12 11.252 3.277 -1.837 68 H DBB 13 HN DBB 13 14.137 4.607 -6.487 69 HA DBB 13 HA DBB 13 14.531 7.275 -6.969 70 HB2 DBB 13 HB2 DBB 13 16.370 6.664 -8.222 71 HG1 DBB 13 HG1 DBB 13 15.523 3.844 -7.591 72 HG2 DBB 13 HG2 DBB 13 15.975 4.541 -9.149 73 HG3 DBB 13 HG3 DBB 13 14.418 4.939 -8.423 74 H ASN 14 HN ASN 14 15.423 5.487 -4.207 75 HA ASN 14 HA ASN 14 17.005 7.759 -3.177 76 HB2 ASN 14 HB2 ASN 14 14.819 7.643 -2.103 77 HB3 ASN 14 HB1 ASN 14 15.075 5.939 -1.715 78 HD21 ASN 14 HD21 ASN 14 15.047 6.270 0.606 79 HD22 ASN 14 HD22 ASN 14 16.288 7.114 1.408 80 H ASP 15 HN ASP 15 17.200 4.623 -4.166 81 HA ASP 15 HA ASP 15 19.663 4.194 -2.658 82 HB2 ASP 15 HB2 ASP 15 19.010 1.933 -1.960 83 HB3 ASP 15 HB1 ASP 15 17.933 3.142 -1.260 84 H TYR 16 HN TYR 16 19.219 1.256 -3.548 85 HA TYR 16 HA TYR 16 20.442 0.144 -5.228 86 HB2 TYR 16 HB2 TYR 16 17.731 0.892 -5.910 87 HB3 TYR 16 HB1 TYR 16 18.718 0.722 -7.362 88 HD1 TYR 16 HD1 TYR 16 16.982 -1.017 -4.732 89 HD2 TYR 16 HD2 TYR 16 20.135 -1.393 -7.624 90 HE1 TYR 16 HE1 TYR 16 16.874 -3.488 -4.529 91 HE2 TYR 16 HE2 TYR 16 20.030 -3.861 -7.419 92 HH TYR 16 HH TYR 16 18.035 -5.421 -4.981 93 H LYS 17 HN LYS 17 19.080 2.378 -7.541 94 HA LYS 17 HA LYS 17 21.768 3.502 -8.020 95 HB2 LYS 17 HB2 LYS 17 19.831 2.414 -10.073 96 HB3 LYS 17 HB1 LYS 17 21.264 3.365 -10.470 97 HG2 LYS 17 HG2 LYS 17 22.684 1.692 -9.328 98 HG3 LYS 17 HG1 LYS 17 21.250 0.734 -8.961 99 HD2 LYS 17 HD2 LYS 17 22.066 1.497 -11.777 100 HD3 LYS 17 HD1 LYS 17 22.516 -0.028 -11.013 101 HE2 LYS 17 HE2 LYS 17 20.066 -0.455 -10.601 102 HE3 LYS 17 HE1 LYS 17 19.713 0.970 -11.578 103 HZ1 LYS 17 HZ1 LYS 17 20.533 -1.658 -12.401 104 HZ2 LYS 17 HZ2 LYS 17 21.451 -0.421 -13.117 105 HZ3 LYS 17 HZ3 LYS 17 19.760 -0.436 -13.290 106 H CYS 18 HN CYS 18 20.808 5.280 -6.731 107 HA CYS 18 HA CYS 18 19.319 7.109 -8.502 108 HB2 CYS 18 HB2 CYS 18 18.774 7.090 -5.551 109 HB3 CYS 18 HB1 CYS 18 17.771 7.702 -6.867 110 H DBB 19 HN DBB 19 22.049 6.517 -6.768 111 HA DBB 19 HA DBB 19 22.857 9.300 -6.852 112 HB2 DBB 19 HB2 DBB 19 24.644 7.345 -5.556 113 HG1 DBB 19 HG1 DBB 19 26.270 8.412 -6.974 114 HG2 DBB 19 HG2 DBB 19 25.214 9.684 -6.361 115 HG3 DBB 19 HG3 DBB 19 25.011 9.086 -8.008 116 H LYS 20 HN LYS 20 21.808 6.977 -4.487 117 HA LYS 20 HA LYS 20 22.638 8.663 -2.246 118 HB2 LYS 20 HB2 LYS 20 20.501 9.644 -2.898 119 HB3 LYS 20 HB1 LYS 20 19.737 8.053 -2.866 120 HG2 LYS 20 HG2 LYS 20 19.231 9.179 -0.778 121 HG3 LYS 20 HG1 LYS 20 20.367 7.871 -0.441 122 HD2 LYS 20 HD2 LYS 20 22.241 9.485 -0.509 123 HD3 LYS 20 HD1 LYS 20 21.093 10.791 -0.810 124 HE2 LYS 20 HE2 LYS 20 19.987 10.336 1.337 125 HE3 LYS 20 HE1 LYS 20 21.098 9.000 1.637 126 HZ1 LYS 20 HZ1 LYS 20 21.615 11.890 1.658 127 HZ2 LYS 20 HZ2 LYS 20 22.878 10.834 1.235 128 HZ3 LYS 20 HZ3 LYS 20 22.123 10.697 2.751 129 H GLY 21 HN GLY 21 22.675 7.578 -0.268 130 HA2 GLY 21 HA2 GLY 21 21.934 5.666 1.087 131 HA3 GLY 21 HA1 GLY 21 22.025 4.691 -0.378 132 H ARG 22 HN ARG 22 23.340 3.738 1.752 133 HA ARG 22 HA ARG 22 26.170 4.213 1.057 134 HB2 ARG 22 HB2 ARG 22 25.010 3.873 3.831 135 HB3 ARG 22 HB1 ARG 22 26.734 3.862 3.460 136 HG2 ARG 22 HG2 ARG 22 26.589 6.132 2.561 137 HG3 ARG 22 HG1 ARG 22 24.847 6.150 2.831 138 HD2 ARG 22 HD2 ARG 22 25.952 7.322 4.662 139 HD3 ARG 22 HD1 ARG 22 25.251 5.824 5.265 140 HE ARG 22 HE ARG 22 27.413 4.983 5.599 141 HH11 ARG 22 HH11 ARG 22 27.428 7.979 3.860 142 HH12 ARG 22 HH12 ARG 22 29.136 8.219 4.022 143 HH21 ARG 22 HH21 ARG 22 29.649 5.297 5.816 144 HH22 ARG 22 HH22 ARG 22 30.392 6.703 5.128 145 H GLY 23 HN GLY 23 27.504 2.404 1.098 146 HA2 GLY 23 HA2 GLY 23 27.760 0.053 1.920 147 HA3 GLY 23 HA1 GLY 23 26.100 -0.189 1.387 148 HA PRO 24 HA PRO 24 29.483 -0.797 -2.029 149 HB2 PRO 24 HB2 PRO 24 29.151 -3.686 -1.481 150 HB3 PRO 24 HB1 PRO 24 30.634 -2.750 -1.734 151 HG2 PRO 24 HG2 PRO 24 29.926 -3.694 0.674 152 HG3 PRO 24 HG1 PRO 24 30.806 -2.169 0.469 153 HD2 PRO 24 HD2 PRO 24 27.912 -2.606 1.104 154 HD3 PRO 24 HD1 PRO 24 29.009 -1.318 1.654 155 H GLY 25 HN GLY 25 28.854 -1.260 -4.119 156 HA2 GLY 25 HA2 GLY 25 27.555 -2.164 -5.846 157 HA3 GLY 25 HA1 GLY 25 26.492 -2.885 -4.641 158 H GLY 26 HN GLY 26 25.744 -1.370 -7.014 159 HA2 GLY 26 HA2 GLY 26 24.158 0.189 -7.610 160 HA3 GLY 26 HA1 GLY 26 23.707 0.255 -5.908 161 H CYS 27 HN CYS 27 23.406 2.592 -6.716 162 HA CYS 27 HA CYS 27 25.562 4.285 -7.271 163 HB2 CYS 27 HB2 CYS 27 22.830 4.590 -6.930 164 HB3 CYS 27 HB1 CYS 27 23.511 5.517 -5.593 165 H TYR 28 HN TYR 28 25.934 6.210 -5.573 166 HA TYR 28 HA TYR 28 27.300 6.743 -3.790 167 HB2 TYR 28 HB2 TYR 28 26.286 6.252 -1.619 168 HB3 TYR 28 HB1 TYR 28 25.051 6.754 -2.775 169 HD1 TYR 28 HD1 TYR 28 26.446 3.939 -0.865 170 HD2 TYR 28 HD2 TYR 28 23.465 5.142 -3.713 171 HE1 TYR 28 HE1 TYR 28 25.251 1.797 -0.517 172 HE2 TYR 28 HE2 TYR 28 22.269 2.999 -3.364 173 HH TYR 28 HH TYR 28 23.142 0.802 -0.809 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 13.464 -7.849 0.534 2 H2 CYS 1 HT2 CYS 1 12.616 -6.866 1.630 3 H3 CYS 1 HT3 CYS 1 13.689 -8.052 2.203 4 HA CYS 1 HA CYS 1 14.361 -5.514 2.031 5 HB2 CYS 1 HB2 CYS 1 15.659 -7.572 2.865 6 HB3 CYS 1 HB1 CYS 1 16.321 -7.670 1.234 7 H CYS 2 HN CYS 2 14.916 -3.992 0.569 8 HA CYS 2 HA CYS 2 14.858 -4.749 -2.268 9 HB2 CYS 2 HB2 CYS 2 15.132 -1.938 -1.946 10 HB3 CYS 2 HB1 CYS 2 13.718 -2.836 -2.497 11 H ILE 3 HN ILE 3 16.900 -3.208 0.154 12 HA ILE 3 HA ILE 3 19.094 -3.018 -1.805 13 HB ILE 3 HB ILE 3 18.981 -1.852 0.980 14 HG12 ILE 3 HG12 ILE 3 18.373 -0.492 -1.660 15 HG13 ILE 3 HG11 ILE 3 17.141 -1.036 -0.520 16 HG21 ILE 3 HG21 ILE 3 20.674 -0.282 -0.200 17 HG22 ILE 3 HG22 ILE 3 20.774 -1.544 -1.427 18 HG23 ILE 3 HG23 ILE 3 21.227 -1.897 0.241 19 HD11 ILE 3 HD11 ILE 3 18.906 0.402 1.074 20 HD12 ILE 3 HD12 ILE 3 17.355 0.986 0.467 21 HD13 ILE 3 HD13 ILE 3 18.839 1.342 -0.418 22 H DBB 4 HN DBB 4 17.875 -5.112 0.394 23 HA DBB 4 HA DBB 4 19.581 -7.095 0.430 24 HB2 DBB 4 HB2 DBB 4 18.303 -7.781 2.161 25 HG1 DBB 4 HG1 DBB 4 18.670 -6.967 4.432 26 HG2 DBB 4 HG2 DBB 4 19.458 -5.512 3.816 27 HG3 DBB 4 HG3 DBB 4 20.233 -7.085 3.625 28 H GLY 5 HN GLY 5 20.086 -4.263 2.522 29 HA2 GLY 5 HA2 GLY 5 22.934 -5.037 2.757 30 HA3 GLY 5 HA1 GLY 5 22.462 -3.385 2.371 31 H GLU 6 HN GLU 6 21.749 -2.026 3.988 32 HA GLU 6 HA GLU 6 21.622 -3.150 6.718 33 HB2 GLU 6 HB2 GLU 6 23.095 -0.674 5.803 34 HB3 GLU 6 HB1 GLU 6 22.759 -1.045 7.494 35 HG2 GLU 6 HG2 GLU 6 23.999 -3.146 7.311 36 HG3 GLU 6 HG1 GLU 6 24.277 -2.855 5.595 37 H SER 7 HN SER 7 20.092 -1.448 4.315 38 HA SER 7 HA SER 7 17.867 -0.769 5.937 39 HB2 SER 7 HB2 SER 7 19.908 1.143 6.024 40 HB3 SER 7 HB1 SER 7 18.737 1.786 4.877 41 HG SER 7 HG SER 7 17.674 2.320 6.612 42 HA PRO 8 HA PRO 8 17.179 -1.440 1.401 43 HB2 PRO 8 HB2 PRO 8 14.666 -2.551 1.927 44 HB3 PRO 8 HB1 PRO 8 16.169 -3.461 1.700 45 HG2 PRO 8 HG2 PRO 8 14.785 -2.684 4.207 46 HG3 PRO 8 HG1 PRO 8 15.692 -4.158 3.823 47 HD2 PRO 8 HD2 PRO 8 16.750 -2.207 5.371 48 HD3 PRO 8 HD1 PRO 8 17.755 -3.165 4.260 49 H GLY 9 HN GLY 9 14.897 -0.279 3.872 50 HA2 GLY 9 HA2 GLY 9 13.104 1.205 3.678 51 HA3 GLY 9 HA1 GLY 9 14.410 2.234 3.098 52 H DAL 10 HN DAL 10 13.510 -0.581 1.262 53 HA DAL 10 HA DAL 10 11.603 0.714 -0.441 54 HB1 DAL 10 HB2 DAL 10 12.352 -1.330 -1.959 55 HB2 DAL 10 HB3 DAL 10 11.335 -1.576 -0.541 56 H ALA 11 HN ALA 11 13.812 2.382 -0.212 57 HA ALA 11 HA ALA 11 14.936 3.789 -1.673 58 HB1 ALA 11 HB1 ALA 11 16.387 1.525 -1.032 59 HB2 ALA 11 HB2 ALA 11 17.032 2.981 -1.790 60 HB3 ALA 11 HB3 ALA 11 16.538 1.613 -2.788 61 HA PRO 12 HA PRO 12 12.584 2.231 -5.432 62 HB2 PRO 12 HB2 PRO 12 10.991 4.469 -5.645 63 HB3 PRO 12 HB1 PRO 12 10.533 3.006 -4.756 64 HG2 PRO 12 HG2 PRO 12 11.580 5.591 -3.736 65 HG3 PRO 12 HG1 PRO 12 10.369 4.505 -3.037 66 HD2 PRO 12 HD2 PRO 12 12.950 4.626 -2.137 67 HD3 PRO 12 HD1 PRO 12 11.957 3.156 -2.036 68 H DBB 13 HN DBB 13 14.309 5.056 -4.474 69 HA DBB 13 HA DBB 13 14.459 6.640 -6.709 70 HB2 DBB 13 HB2 DBB 13 15.071 4.784 -8.076 71 HG1 DBB 13 HG1 DBB 13 17.254 3.521 -7.376 72 HG2 DBB 13 HG2 DBB 13 15.714 3.085 -6.635 73 HG3 DBB 13 HG3 DBB 13 16.851 4.111 -5.765 74 H ASN 14 HN ASN 14 15.947 5.131 -4.003 75 HA ASN 14 HA ASN 14 17.734 7.464 -3.662 76 HB2 ASN 14 HB2 ASN 14 15.724 7.381 -2.139 77 HB3 ASN 14 HB1 ASN 14 16.388 5.898 -1.453 78 HD21 ASN 14 HD21 ASN 14 16.749 6.929 0.643 79 HD22 ASN 14 HD22 ASN 14 17.994 8.071 0.857 80 H ASP 15 HN ASP 15 18.084 4.554 -4.686 81 HA ASP 15 HA ASP 15 20.519 4.059 -3.121 82 HB2 ASP 15 HB2 ASP 15 18.815 2.594 -2.149 83 HB3 ASP 15 HB1 ASP 15 18.451 1.943 -3.747 84 H TYR 16 HN TYR 16 19.534 1.502 -5.116 85 HA TYR 16 HA TYR 16 21.735 1.574 -6.802 86 HB2 TYR 16 HB2 TYR 16 20.627 -0.098 -8.115 87 HB3 TYR 16 HB1 TYR 16 20.162 -0.366 -6.435 88 HD1 TYR 16 HD1 TYR 16 19.033 0.666 -9.756 89 HD2 TYR 16 HD2 TYR 16 17.918 0.308 -5.624 90 HE1 TYR 16 HE1 TYR 16 16.649 0.936 -10.377 91 HE2 TYR 16 HE2 TYR 16 15.532 0.577 -6.244 92 HH TYR 16 HH TYR 16 14.329 0.124 -9.153 93 H LYS 17 HN LYS 17 22.114 2.312 -8.857 94 HA LYS 17 HA LYS 17 22.097 4.114 -10.344 95 HB2 LYS 17 HB2 LYS 17 19.524 2.605 -10.853 96 HB3 LYS 17 HB1 LYS 17 20.199 3.802 -11.962 97 HG2 LYS 17 HG2 LYS 17 22.277 2.494 -12.126 98 HG3 LYS 17 HG1 LYS 17 21.621 1.300 -11.008 99 HD2 LYS 17 HD2 LYS 17 19.786 0.824 -12.585 100 HD3 LYS 17 HD1 LYS 17 20.443 2.014 -13.710 101 HE2 LYS 17 HE2 LYS 17 22.536 0.720 -13.865 102 HE3 LYS 17 HE1 LYS 17 21.887 -0.469 -12.735 103 HZ1 LYS 17 HZ1 LYS 17 20.674 0.226 -15.354 104 HZ2 LYS 17 HZ2 LYS 17 20.136 -0.977 -14.281 105 HZ3 LYS 17 HZ3 LYS 17 21.635 -1.140 -15.064 106 H CYS 18 HN CYS 18 21.006 4.811 -7.717 107 HA CYS 18 HA CYS 18 19.401 7.118 -8.571 108 HB2 CYS 18 HB2 CYS 18 18.515 4.921 -6.830 109 HB3 CYS 18 HB1 CYS 18 18.249 6.531 -6.165 110 H DBB 19 HN DBB 19 21.571 5.580 -6.322 111 HA DBB 19 HA DBB 19 22.889 7.973 -5.644 112 HB2 DBB 19 HB2 DBB 19 23.683 5.500 -5.457 113 HG1 DBB 19 HG1 DBB 19 22.076 4.600 -3.951 114 HG2 DBB 19 HG2 DBB 19 22.251 5.948 -2.831 115 HG3 DBB 19 HG3 DBB 19 23.551 4.771 -3.006 116 H LYS 20 HN LYS 20 22.720 9.375 -3.969 117 HA LYS 20 HA LYS 20 21.835 10.430 -2.117 118 HB2 LYS 20 HB2 LYS 20 19.377 9.140 -3.313 119 HB3 LYS 20 HB1 LYS 20 19.307 10.248 -1.943 120 HG2 LYS 20 HG2 LYS 20 20.366 12.008 -3.266 121 HG3 LYS 20 HG1 LYS 20 20.553 10.903 -4.629 122 HD2 LYS 20 HD2 LYS 20 18.595 12.159 -5.124 123 HD3 LYS 20 HD1 LYS 20 18.004 10.606 -4.532 124 HE2 LYS 20 HE2 LYS 20 17.559 11.525 -2.346 125 HE3 LYS 20 HE1 LYS 20 18.366 13.038 -2.761 126 HZ1 LYS 20 HZ1 LYS 20 16.053 12.062 -4.313 127 HZ2 LYS 20 HZ2 LYS 20 16.670 13.640 -4.206 128 HZ3 LYS 20 HZ3 LYS 20 15.835 12.960 -2.892 129 H GLY 21 HN GLY 21 22.863 7.650 -1.853 130 HA2 GLY 21 HA2 GLY 21 22.057 7.193 0.861 131 HA3 GLY 21 HA1 GLY 21 21.408 5.972 -0.230 132 H ARG 22 HN ARG 22 23.045 5.038 1.653 133 HA ARG 22 HA ARG 22 25.673 4.706 0.335 134 HB2 ARG 22 HB2 ARG 22 25.760 5.686 2.610 135 HB3 ARG 22 HB1 ARG 22 24.947 4.252 3.240 136 HG2 ARG 22 HG2 ARG 22 26.800 2.842 2.398 137 HG3 ARG 22 HG1 ARG 22 27.621 4.287 1.808 138 HD2 ARG 22 HD2 ARG 22 27.596 5.179 4.157 139 HD3 ARG 22 HD1 ARG 22 26.951 3.626 4.688 140 HE ARG 22 HE ARG 22 29.380 3.370 3.155 141 HH11 ARG 22 HH11 ARG 22 27.994 4.002 6.261 142 HH12 ARG 22 HH12 ARG 22 29.385 3.467 7.144 143 HH21 ARG 22 HH21 ARG 22 31.209 2.670 4.305 144 HH22 ARG 22 HH22 ARG 22 31.206 2.714 6.036 145 H GLY 23 HN GLY 23 26.244 2.739 -0.372 146 HA2 GLY 23 HA2 GLY 23 25.921 0.263 0.588 147 HA3 GLY 23 HA1 GLY 23 24.333 0.555 -0.112 148 HA PRO 24 HA PRO 24 26.337 -1.103 -3.745 149 HB2 PRO 24 HB2 PRO 24 24.118 -1.166 -5.321 150 HB3 PRO 24 HB1 PRO 24 24.415 -2.348 -4.032 151 HG2 PRO 24 HG2 PRO 24 22.646 0.045 -4.034 152 HG3 PRO 24 HG1 PRO 24 22.373 -1.561 -3.340 153 HD2 PRO 24 HD2 PRO 24 23.152 0.617 -1.852 154 HD3 PRO 24 HD1 PRO 24 23.512 -1.063 -1.395 155 H GLY 25 HN GLY 25 26.850 -0.393 -5.890 156 HA2 GLY 25 HA2 GLY 25 27.431 2.294 -6.211 157 HA3 GLY 25 HA1 GLY 25 27.305 1.150 -7.543 158 H GLY 26 HN GLY 26 26.485 3.046 -8.735 159 HA2 GLY 26 HA2 GLY 26 24.622 3.867 -9.876 160 HA3 GLY 26 HA1 GLY 26 23.586 3.079 -8.687 161 H CYS 27 HN CYS 27 26.158 5.019 -7.472 162 HA CYS 27 HA CYS 27 24.187 6.983 -6.550 163 HB2 CYS 27 HB2 CYS 27 26.332 5.647 -5.288 164 HB3 CYS 27 HB1 CYS 27 26.790 7.344 -5.392 165 H TYR 28 HN TYR 28 24.294 9.102 -6.947 166 HA TYR 28 HA TYR 28 26.557 10.473 -7.936 167 HB2 TYR 28 HB2 TYR 28 25.844 10.847 -10.253 168 HB3 TYR 28 HB1 TYR 28 26.112 9.128 -9.958 169 HD1 TYR 28 HD1 TYR 28 23.978 11.271 -11.575 170 HD2 TYR 28 HD2 TYR 28 23.843 8.036 -8.748 171 HE1 TYR 28 HE1 TYR 28 21.635 10.794 -12.228 172 HE2 TYR 28 HE2 TYR 28 21.506 7.560 -9.404 173 HH TYR 28 HH TYR 28 19.570 8.929 -10.434 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 12.764 -8.443 1.412 2 H2 CYS 1 HT2 CYS 1 12.542 -8.312 3.091 3 H3 CYS 1 HT3 CYS 1 13.678 -9.410 2.465 4 HA CYS 1 HA CYS 1 14.088 -6.765 3.230 5 HB2 CYS 1 HB2 CYS 1 16.271 -7.456 3.223 6 HB3 CYS 1 HB1 CYS 1 15.531 -9.046 3.045 7 H CYS 2 HN CYS 2 13.980 -4.913 2.135 8 HA CYS 2 HA CYS 2 13.485 -4.905 -0.712 9 HB2 CYS 2 HB2 CYS 2 12.591 -3.282 1.176 10 HB3 CYS 2 HB1 CYS 2 14.083 -2.408 0.822 11 H ILE 3 HN ILE 3 14.904 -4.474 -2.313 12 HA ILE 3 HA ILE 3 16.932 -4.231 -3.364 13 HB ILE 3 HB ILE 3 16.482 -1.936 -1.948 14 HG12 ILE 3 HG12 ILE 3 18.493 -1.065 -3.239 15 HG13 ILE 3 HG11 ILE 3 18.801 -2.732 -3.723 16 HG21 ILE 3 HG21 ILE 3 18.097 -3.081 -0.202 17 HG22 ILE 3 HG22 ILE 3 18.281 -1.367 -0.571 18 HG23 ILE 3 HG23 ILE 3 19.353 -2.551 -1.318 19 HD11 ILE 3 HD11 ILE 3 16.318 -1.092 -4.302 20 HD12 ILE 3 HD12 ILE 3 16.442 -2.823 -4.616 21 HD13 ILE 3 HD13 ILE 3 17.493 -1.696 -5.471 22 H DBB 4 HN DBB 4 16.574 -5.920 -0.702 23 HA DBB 4 HA DBB 4 18.555 -7.648 -0.722 24 HB2 DBB 4 HB2 DBB 4 18.594 -7.598 1.835 25 HG1 DBB 4 HG1 DBB 4 17.695 -4.996 1.428 26 HG2 DBB 4 HG2 DBB 4 17.647 -5.873 2.958 27 HG3 DBB 4 HG3 DBB 4 16.236 -5.867 1.900 28 H GLY 5 HN GLY 5 18.963 -4.349 0.518 29 HA2 GLY 5 HA2 GLY 5 21.886 -4.700 0.282 30 HA3 GLY 5 HA1 GLY 5 21.037 -3.170 0.080 31 H GLU 6 HN GLU 6 22.523 -2.306 1.670 32 HA GLU 6 HA GLU 6 22.017 -3.207 4.434 33 HB2 GLU 6 HB2 GLU 6 24.054 -2.078 5.043 34 HB3 GLU 6 HB1 GLU 6 24.391 -3.060 3.617 35 HG2 GLU 6 HG2 GLU 6 24.090 -1.078 2.178 36 HG3 GLU 6 HG1 GLU 6 23.762 -0.095 3.604 37 H SER 7 HN SER 7 20.973 -0.946 2.245 38 HA SER 7 HA SER 7 20.864 1.421 3.785 39 HB2 SER 7 HB2 SER 7 19.858 2.273 1.957 40 HB3 SER 7 HB1 SER 7 20.153 0.703 1.213 41 HG SER 7 HG SER 7 18.113 0.082 1.714 42 HA PRO 8 HA PRO 8 17.558 1.134 6.650 43 HB2 PRO 8 HB2 PRO 8 15.825 2.912 5.002 44 HB3 PRO 8 HB1 PRO 8 16.345 3.089 6.689 45 HG2 PRO 8 HG2 PRO 8 17.390 4.573 4.739 46 HG3 PRO 8 HG1 PRO 8 18.358 4.019 6.113 47 HD2 PRO 8 HD2 PRO 8 18.367 3.042 3.289 48 HD3 PRO 8 HD1 PRO 8 19.697 3.106 4.468 49 H GLY 9 HN GLY 9 16.437 0.994 3.285 50 HA2 GLY 9 HA2 GLY 9 15.402 -1.463 3.095 51 HA3 GLY 9 HA1 GLY 9 14.129 -0.641 3.992 52 H DAL 10 HN DAL 10 12.856 -1.231 2.036 53 HA DAL 10 HA DAL 10 11.596 -0.263 0.323 54 HB1 DAL 10 HB2 DAL 10 14.353 -0.800 -0.756 55 HB2 DAL 10 HB3 DAL 10 13.076 -0.175 -1.800 56 H ALA 11 HN ALA 11 14.493 1.224 -0.905 57 HA ALA 11 HA ALA 11 13.373 3.874 -0.230 58 HB1 ALA 11 HB1 ALA 11 15.673 3.099 0.741 59 HB2 ALA 11 HB2 ALA 11 15.510 4.727 0.080 60 HB3 ALA 11 HB3 ALA 11 16.265 3.456 -0.880 61 HA PRO 12 HA PRO 12 13.202 3.118 -4.865 62 HB2 PRO 12 HB2 PRO 12 10.869 4.909 -4.440 63 HB3 PRO 12 HB1 PRO 12 10.984 3.410 -5.379 64 HG2 PRO 12 HG2 PRO 12 9.742 3.563 -2.993 65 HG3 PRO 12 HG1 PRO 12 10.530 2.094 -3.583 66 HD2 PRO 12 HD2 PRO 12 11.387 3.952 -1.439 67 HD3 PRO 12 HD1 PRO 12 11.794 2.242 -1.683 68 H DBB 13 HN DBB 13 14.109 4.496 -6.310 69 HA DBB 13 HA DBB 13 13.901 7.332 -6.184 70 HB2 DBB 13 HB2 DBB 13 14.320 6.649 -8.340 71 HG1 DBB 13 HG1 DBB 13 14.685 4.376 -8.327 72 HG2 DBB 13 HG2 DBB 13 15.844 4.470 -7.001 73 HG3 DBB 13 HG3 DBB 13 16.339 4.902 -8.635 74 H ASN 14 HN ASN 14 15.402 5.300 -4.164 75 HA ASN 14 HA ASN 14 17.561 7.223 -3.531 76 HB2 ASN 14 HB2 ASN 14 15.729 7.196 -1.866 77 HB3 ASN 14 HB1 ASN 14 15.979 5.466 -1.637 78 HD21 ASN 14 HD21 ASN 14 16.297 7.197 0.570 79 HD22 ASN 14 HD22 ASN 14 17.947 7.274 0.981 80 H ASP 15 HN ASP 15 16.644 3.886 -3.955 81 HA ASP 15 HA ASP 15 19.453 3.083 -3.477 82 HB2 ASP 15 HB2 ASP 15 16.869 1.592 -3.002 83 HB3 ASP 15 HB1 ASP 15 18.432 0.780 -3.080 84 H TYR 16 HN TYR 16 20.304 1.432 -4.855 85 HA TYR 16 HA TYR 16 20.354 0.084 -6.775 86 HB2 TYR 16 HB2 TYR 16 17.710 0.518 -6.722 87 HB3 TYR 16 HB1 TYR 16 18.127 1.532 -8.104 88 HD1 TYR 16 HD1 TYR 16 16.490 -1.096 -8.105 89 HD2 TYR 16 HD2 TYR 16 20.637 -0.233 -8.811 90 HE1 TYR 16 HE1 TYR 16 16.665 -3.115 -9.532 91 HE2 TYR 16 HE2 TYR 16 20.815 -2.253 -10.240 92 HH TYR 16 HH TYR 16 18.678 -3.671 -11.682 93 H LYS 17 HN LYS 17 21.041 3.102 -6.179 94 HA LYS 17 HA LYS 17 22.649 4.422 -7.242 95 HB2 LYS 17 HB2 LYS 17 21.909 3.002 -9.812 96 HB3 LYS 17 HB1 LYS 17 23.316 4.023 -9.514 97 HG2 LYS 17 HG2 LYS 17 24.126 2.437 -7.809 98 HG3 LYS 17 HG1 LYS 17 22.730 1.403 -8.104 99 HD2 LYS 17 HD2 LYS 17 23.431 1.073 -10.426 100 HD3 LYS 17 HD1 LYS 17 24.798 2.161 -10.187 101 HE2 LYS 17 HE2 LYS 17 25.571 -0.144 -9.985 102 HE3 LYS 17 HE1 LYS 17 25.649 0.633 -8.404 103 HZ1 LYS 17 HZ1 LYS 17 23.985 -1.544 -9.307 104 HZ2 LYS 17 HZ2 LYS 17 23.152 -0.356 -8.424 105 HZ3 LYS 17 HZ3 LYS 17 24.492 -1.144 -7.739 106 H CYS 18 HN CYS 18 19.953 5.092 -6.717 107 HA CYS 18 HA CYS 18 18.897 6.477 -9.038 108 HB2 CYS 18 HB2 CYS 18 17.548 5.412 -7.172 109 HB3 CYS 18 HB1 CYS 18 18.008 6.790 -6.182 110 H DBB 19 HN DBB 19 21.119 7.111 -6.531 111 HA DBB 19 HA DBB 19 20.919 10.022 -7.019 112 HB2 DBB 19 HB2 DBB 19 23.553 9.729 -6.519 113 HG1 DBB 19 HG1 DBB 19 23.351 9.262 -9.279 114 HG2 DBB 19 HG2 DBB 19 23.392 10.833 -8.482 115 HG3 DBB 19 HG3 DBB 19 21.845 10.073 -8.849 116 H LYS 20 HN LYS 20 20.666 7.621 -4.776 117 HA LYS 20 HA LYS 20 21.796 9.218 -2.575 118 HB2 LYS 20 HB2 LYS 20 18.935 8.261 -2.778 119 HB3 LYS 20 HB1 LYS 20 19.675 8.843 -1.287 120 HG2 LYS 20 HG2 LYS 20 20.134 11.010 -2.314 121 HG3 LYS 20 HG1 LYS 20 19.503 10.439 -3.859 122 HD2 LYS 20 HD2 LYS 20 17.707 11.652 -2.881 123 HD3 LYS 20 HD1 LYS 20 17.318 9.955 -2.597 124 HE2 LYS 20 HE2 LYS 20 18.104 10.071 -0.324 125 HE3 LYS 20 HE1 LYS 20 18.781 11.679 -0.584 126 HZ1 LYS 20 HZ1 LYS 20 16.055 11.661 -1.305 127 HZ2 LYS 20 HZ2 LYS 20 16.832 12.579 -0.106 128 HZ3 LYS 20 HZ3 LYS 20 16.218 11.037 0.262 129 H GLY 21 HN GLY 21 21.984 8.020 -0.559 130 HA2 GLY 21 HA2 GLY 21 21.499 5.622 0.314 131 HA3 GLY 21 HA1 GLY 21 22.481 5.163 -1.073 132 H ARG 22 HN ARG 22 22.975 4.780 1.811 133 HA ARG 22 HA ARG 22 25.283 6.515 2.317 134 HB2 ARG 22 HB2 ARG 22 23.889 4.436 4.014 135 HB3 ARG 22 HB1 ARG 22 25.314 5.340 4.529 136 HG2 ARG 22 HG2 ARG 22 24.103 7.456 4.230 137 HG3 ARG 22 HG1 ARG 22 22.680 6.575 3.673 138 HD2 ARG 22 HD2 ARG 22 23.953 6.160 6.387 139 HD3 ARG 22 HD1 ARG 22 22.590 7.239 6.102 140 HE ARG 22 HE ARG 22 21.935 4.717 5.048 141 HH11 ARG 22 HH11 ARG 22 22.610 6.267 8.066 142 HH12 ARG 22 HH12 ARG 22 21.604 5.204 8.993 143 HH21 ARG 22 HH21 ARG 22 20.616 3.318 6.256 144 HH22 ARG 22 HH22 ARG 22 20.475 3.534 7.969 145 H GLY 23 HN GLY 23 24.654 3.645 0.761 146 HA2 GLY 23 HA2 GLY 23 27.000 2.174 1.600 147 HA3 GLY 23 HA1 GLY 23 25.902 1.739 0.294 148 HA PRO 24 HA PRO 24 29.913 3.817 -1.242 149 HB2 PRO 24 HB2 PRO 24 31.342 1.588 -1.941 150 HB3 PRO 24 HB1 PRO 24 31.471 2.373 -0.355 151 HG2 PRO 24 HG2 PRO 24 29.974 -0.071 -1.141 152 HG3 PRO 24 HG1 PRO 24 30.864 0.280 0.349 153 HD2 PRO 24 HD2 PRO 24 28.128 0.421 0.153 154 HD3 PRO 24 HD1 PRO 24 29.077 1.366 1.319 155 H GLY 25 HN GLY 25 30.187 4.233 -3.404 156 HA2 GLY 25 HA2 GLY 25 29.824 4.177 -5.678 157 HA3 GLY 25 HA1 GLY 25 29.569 2.441 -5.515 158 H GLY 26 HN GLY 26 27.973 3.221 -7.303 159 HA2 GLY 26 HA2 GLY 26 25.763 3.338 -7.940 160 HA3 GLY 26 HA1 GLY 26 25.344 2.963 -6.270 161 H CYS 27 HN CYS 27 27.321 5.728 -7.082 162 HA CYS 27 HA CYS 27 27.013 7.970 -6.683 163 HB2 CYS 27 HB2 CYS 27 25.291 8.956 -7.902 164 HB3 CYS 27 HB1 CYS 27 25.458 7.398 -8.710 165 H TYR 28 HN TYR 28 25.873 5.767 -4.731 166 HA TYR 28 HA TYR 28 23.736 6.762 -3.277 167 HB2 TYR 28 HB2 TYR 28 26.200 5.304 -2.290 168 HB3 TYR 28 HB1 TYR 28 24.738 5.548 -1.338 169 HD1 TYR 28 HD1 TYR 28 23.549 5.357 -4.560 170 HD2 TYR 28 HD2 TYR 28 25.310 2.834 -1.562 171 HE1 TYR 28 HE1 TYR 28 22.523 3.378 -5.630 172 HE2 TYR 28 HE2 TYR 28 24.280 0.849 -2.634 173 HH TYR 28 HH TYR 28 23.326 0.619 -5.533 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 14.210 -7.612 0.128 2 H2 CYS 1 HT2 CYS 1 15.209 -8.769 -0.611 3 H3 CYS 1 HT3 CYS 1 14.380 -7.630 -1.559 4 HA CYS 1 HA CYS 1 16.070 -6.450 0.451 5 HB2 CYS 1 HB2 CYS 1 17.118 -8.667 -0.821 6 HB3 CYS 1 HB1 CYS 1 17.693 -7.342 -1.816 7 H CYS 2 HN CYS 2 15.018 -4.590 -0.145 8 HA CYS 2 HA CYS 2 14.505 -3.757 -2.803 9 HB2 CYS 2 HB2 CYS 2 14.571 -2.419 -0.133 10 HB3 CYS 2 HB1 CYS 2 14.571 -1.403 -1.575 11 H ILE 3 HN ILE 3 17.154 -3.052 -0.553 12 HA ILE 3 HA ILE 3 18.719 -2.006 -2.833 13 HB ILE 3 HB ILE 3 18.873 -1.265 0.099 14 HG12 ILE 3 HG12 ILE 3 18.254 0.499 -2.281 15 HG13 ILE 3 HG11 ILE 3 16.989 -0.328 -1.376 16 HG21 ILE 3 HG21 ILE 3 21.101 -1.315 -0.948 17 HG22 ILE 3 HG22 ILE 3 20.596 0.350 -0.654 18 HG23 ILE 3 HG23 ILE 3 20.507 -0.325 -2.280 19 HD11 ILE 3 HD11 ILE 3 17.208 1.043 0.432 20 HD12 ILE 3 HD12 ILE 3 17.926 2.147 -0.739 21 HD13 ILE 3 HD13 ILE 3 18.961 1.140 0.272 22 H DBB 4 HN DBB 4 18.608 -4.126 -0.073 23 HA DBB 4 HA DBB 4 21.338 -5.074 -0.673 24 HB2 DBB 4 HB2 DBB 4 19.432 -6.477 -1.696 25 HG1 DBB 4 HG1 DBB 4 21.660 -7.360 -1.593 26 HG2 DBB 4 HG2 DBB 4 20.594 -8.611 -0.953 27 HG3 DBB 4 HG3 DBB 4 21.545 -7.616 0.148 28 H GLY 5 HN GLY 5 18.986 -4.192 1.637 29 HA2 GLY 5 HA2 GLY 5 18.854 -4.446 3.945 30 HA3 GLY 5 HA1 GLY 5 20.112 -5.675 3.853 31 H GLU 6 HN GLU 6 20.585 -2.563 2.359 32 HA GLU 6 HA GLU 6 22.612 -1.946 4.409 33 HB2 GLU 6 HB2 GLU 6 23.800 -0.724 2.712 34 HB3 GLU 6 HB1 GLU 6 23.394 -2.306 2.047 35 HG2 GLU 6 HG2 GLU 6 21.403 -1.318 0.950 36 HG3 GLU 6 HG1 GLU 6 21.860 0.264 1.577 37 H SER 7 HN SER 7 19.553 -1.122 3.442 38 HA SER 7 HA SER 7 19.766 1.457 4.792 39 HB2 SER 7 HB2 SER 7 19.144 2.741 3.041 40 HB3 SER 7 HB1 SER 7 19.688 1.387 2.055 41 HG SER 7 HG SER 7 17.409 2.274 1.843 42 HA PRO 8 HA PRO 8 15.771 0.914 6.567 43 HB2 PRO 8 HB2 PRO 8 14.377 2.618 4.554 44 HB3 PRO 8 HB1 PRO 8 14.397 2.748 6.323 45 HG2 PRO 8 HG2 PRO 8 15.784 4.421 4.775 46 HG3 PRO 8 HG1 PRO 8 16.384 3.885 6.354 47 HD2 PRO 8 HD2 PRO 8 17.277 3.073 3.625 48 HD3 PRO 8 HD1 PRO 8 18.207 3.171 5.134 49 H GLY 9 HN GLY 9 15.607 0.848 3.022 50 HA2 GLY 9 HA2 GLY 9 15.038 -1.338 2.009 51 HA3 GLY 9 HA1 GLY 9 13.749 -1.451 3.204 52 H DAL 10 HN DAL 10 13.088 -1.737 0.586 53 HA DAL 10 HA DAL 10 10.919 -0.323 0.038 54 HB1 DAL 10 HB2 DAL 10 12.828 -0.441 -2.252 55 HB2 DAL 10 HB3 DAL 10 11.124 -0.892 -2.186 56 H ALA 11 HN ALA 11 14.151 0.894 -0.865 57 HA ALA 11 HA ALA 11 13.039 3.626 -0.722 58 HB1 ALA 11 HB1 ALA 11 14.999 2.727 0.825 59 HB2 ALA 11 HB2 ALA 11 15.015 4.373 0.190 60 HB3 ALA 11 HB3 ALA 11 15.975 3.117 -0.592 61 HA PRO 12 HA PRO 12 14.032 2.735 -5.183 62 HB2 PRO 12 HB2 PRO 12 12.007 4.471 -6.009 63 HB3 PRO 12 HB1 PRO 12 11.855 2.711 -5.854 64 HG2 PRO 12 HG2 PRO 12 10.983 4.859 -4.001 65 HG3 PRO 12 HG1 PRO 12 10.229 3.296 -4.359 66 HD2 PRO 12 HD2 PRO 12 11.609 3.720 -2.061 67 HD3 PRO 12 HD1 PRO 12 11.592 2.137 -2.872 68 H DBB 13 HN DBB 13 15.272 4.018 -6.492 69 HA DBB 13 HA DBB 13 15.267 6.851 -6.501 70 HB2 DBB 13 HB2 DBB 13 16.187 5.912 -8.432 71 HG1 DBB 13 HG1 DBB 13 16.750 3.729 -8.266 72 HG2 DBB 13 HG2 DBB 13 17.121 3.882 -6.548 73 HG3 DBB 13 HG3 DBB 13 18.340 4.293 -7.752 74 H ASN 14 HN ASN 14 16.317 4.651 -4.230 75 HA ASN 14 HA ASN 14 18.239 6.568 -3.056 76 HB2 ASN 14 HB2 ASN 14 15.903 6.479 -1.994 77 HB3 ASN 14 HB1 ASN 14 16.348 4.865 -1.434 78 HD21 ASN 14 HD21 ASN 14 16.553 5.386 0.817 79 HD22 ASN 14 HD22 ASN 14 17.735 6.461 1.404 80 H ASP 15 HN ASP 15 20.172 5.698 -2.701 81 HA ASP 15 HA ASP 15 21.821 4.171 -2.218 82 HB2 ASP 15 HB2 ASP 15 19.738 2.126 -1.512 83 HB3 ASP 15 HB1 ASP 15 21.339 2.366 -0.817 84 H TYR 16 HN TYR 16 19.267 1.898 -3.185 85 HA TYR 16 HA TYR 16 20.979 0.550 -5.027 86 HB2 TYR 16 HB2 TYR 16 18.973 -0.401 -3.745 87 HB3 TYR 16 HB1 TYR 16 17.974 0.355 -4.983 88 HD1 TYR 16 HD1 TYR 16 21.027 -1.802 -4.682 89 HD2 TYR 16 HD2 TYR 16 17.471 -0.871 -6.905 90 HE1 TYR 16 HE1 TYR 16 21.474 -3.715 -6.202 91 HE2 TYR 16 HE2 TYR 16 17.918 -2.780 -8.422 92 HH TYR 16 HH TYR 16 19.556 -4.245 -9.100 93 H LYS 17 HN LYS 17 21.408 1.004 -7.083 94 HA LYS 17 HA LYS 17 21.332 1.988 -9.154 95 HB2 LYS 17 HB2 LYS 17 18.385 1.795 -8.532 96 HB3 LYS 17 HB1 LYS 17 19.002 2.353 -10.088 97 HG2 LYS 17 HG2 LYS 17 20.241 0.234 -10.358 98 HG3 LYS 17 HG1 LYS 17 19.620 -0.327 -8.805 99 HD2 LYS 17 HD2 LYS 17 17.316 -0.183 -9.658 100 HD3 LYS 17 HD1 LYS 17 17.918 0.413 -11.206 101 HE2 LYS 17 HE2 LYS 17 19.169 -1.683 -11.537 102 HE3 LYS 17 HE1 LYS 17 18.585 -2.281 -9.985 103 HZ1 LYS 17 HZ1 LYS 17 17.078 -3.183 -11.441 104 HZ2 LYS 17 HZ2 LYS 17 17.103 -1.844 -12.488 105 HZ3 LYS 17 HZ3 LYS 17 16.279 -1.752 -11.004 106 H CYS 18 HN CYS 18 20.745 3.592 -6.410 107 HA CYS 18 HA CYS 18 20.715 6.187 -7.787 108 HB2 CYS 18 HB2 CYS 18 18.679 5.154 -5.955 109 HB3 CYS 18 HB1 CYS 18 19.335 6.713 -5.462 110 H DBB 19 HN DBB 19 22.526 7.194 -7.241 111 HA DBB 19 HA DBB 19 24.400 7.824 -6.072 112 HB2 DBB 19 HB2 DBB 19 23.654 5.275 -4.745 113 HG1 DBB 19 HG1 DBB 19 25.622 7.219 -3.499 114 HG2 DBB 19 HG2 DBB 19 25.271 5.581 -2.941 115 HG3 DBB 19 HG3 DBB 19 24.036 6.835 -2.832 116 H LYS 20 HN LYS 20 21.262 7.821 -4.848 117 HA LYS 20 HA LYS 20 21.835 10.134 -3.203 118 HB2 LYS 20 HB2 LYS 20 19.254 8.712 -3.892 119 HB3 LYS 20 HB1 LYS 20 19.346 10.177 -2.912 120 HG2 LYS 20 HG2 LYS 20 20.438 11.363 -4.773 121 HG3 LYS 20 HG1 LYS 20 20.358 9.903 -5.757 122 HD2 LYS 20 HD2 LYS 20 17.897 9.928 -5.602 123 HD3 LYS 20 HD1 LYS 20 17.972 11.388 -4.615 124 HE2 LYS 20 HE2 LYS 20 19.066 12.592 -6.467 125 HE3 LYS 20 HE1 LYS 20 19.004 11.133 -7.456 126 HZ1 LYS 20 HZ1 LYS 20 17.153 12.884 -7.692 127 HZ2 LYS 20 HZ2 LYS 20 16.544 12.218 -6.254 128 HZ3 LYS 20 HZ3 LYS 20 16.723 11.245 -7.634 129 H GLY 21 HN GLY 21 21.683 6.806 -2.721 130 HA2 GLY 21 HA2 GLY 21 20.994 7.104 0.136 131 HA3 GLY 21 HA1 GLY 21 20.915 5.601 -0.773 132 H ARG 22 HN ARG 22 22.185 5.091 1.342 133 HA ARG 22 HA ARG 22 25.050 5.205 0.650 134 HB2 ARG 22 HB2 ARG 22 23.804 5.745 3.350 135 HB3 ARG 22 HB1 ARG 22 25.521 5.409 3.118 136 HG2 ARG 22 HG2 ARG 22 25.717 7.332 1.609 137 HG3 ARG 22 HG1 ARG 22 23.990 7.656 1.772 138 HD2 ARG 22 HD2 ARG 22 24.284 8.023 4.190 139 HD3 ARG 22 HD1 ARG 22 26.006 7.692 4.035 140 HE ARG 22 HE ARG 22 25.391 9.747 2.239 141 HH11 ARG 22 HH11 ARG 22 25.368 9.111 5.640 142 HH12 ARG 22 HH12 ARG 22 25.658 10.758 6.091 143 HH21 ARG 22 HH21 ARG 22 25.771 11.909 2.821 144 HH22 ARG 22 HH22 ARG 22 25.887 12.343 4.493 145 H GLY 23 HN GLY 23 26.238 3.380 1.163 146 HA2 GLY 23 HA2 GLY 23 25.643 1.307 2.861 147 HA3 GLY 23 HA1 GLY 23 24.758 0.929 1.385 148 HA PRO 24 HA PRO 24 29.270 -0.629 1.351 149 HB2 PRO 24 HB2 PRO 24 27.763 -3.053 0.475 150 HB3 PRO 24 HB1 PRO 24 29.144 -2.919 1.580 151 HG2 PRO 24 HG2 PRO 24 26.684 -3.368 2.487 152 HG3 PRO 24 HG1 PRO 24 27.826 -2.340 3.373 153 HD2 PRO 24 HD2 PRO 24 25.456 -1.543 1.727 154 HD3 PRO 24 HD1 PRO 24 26.123 -0.782 3.190 155 H GLY 25 HN GLY 25 26.508 -1.110 -0.829 156 HA2 GLY 25 HA2 GLY 25 27.910 0.005 -3.065 157 HA3 GLY 25 HA1 GLY 25 27.745 -1.742 -3.206 158 H GLY 26 HN GLY 26 26.494 -0.932 -5.166 159 HA2 GLY 26 HA2 GLY 26 24.406 -1.052 -6.177 160 HA3 GLY 26 HA1 GLY 26 23.674 -1.140 -4.577 161 H CYS 27 HN CYS 27 25.866 1.423 -4.830 162 HA CYS 27 HA CYS 27 24.102 3.453 -4.254 163 HB2 CYS 27 HB2 CYS 27 26.332 4.073 -4.058 164 HB3 CYS 27 HB1 CYS 27 26.765 3.407 -5.631 165 H TYR 28 HN TYR 28 25.519 3.058 -7.507 166 HA TYR 28 HA TYR 28 23.090 4.287 -8.633 167 HB2 TYR 28 HB2 TYR 28 25.949 4.180 -9.431 168 HB3 TYR 28 HB1 TYR 28 24.759 4.176 -10.734 169 HD1 TYR 28 HD1 TYR 28 26.464 6.170 -8.265 170 HD2 TYR 28 HD2 TYR 28 22.956 5.995 -10.736 171 HE1 TYR 28 HE1 TYR 28 26.138 8.610 -7.973 172 HE2 TYR 28 HE2 TYR 28 22.628 8.438 -10.443 173 HH TYR 28 HH TYR 28 24.607 10.300 -8.206 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 14.014 -8.725 -0.750 2 H2 CYS 1 HT2 CYS 1 13.542 -8.863 0.876 3 H3 CYS 1 HT3 CYS 1 15.078 -9.396 0.386 4 HA CYS 1 HA CYS 1 14.487 -6.952 1.437 5 HB2 CYS 1 HB2 CYS 1 16.751 -6.834 1.479 6 HB3 CYS 1 HB1 CYS 1 16.711 -8.449 0.784 7 H CYS 2 HN CYS 2 14.964 -4.794 0.508 8 HA CYS 2 HA CYS 2 13.561 -4.470 -2.029 9 HB2 CYS 2 HB2 CYS 2 13.843 -2.921 0.336 10 HB3 CYS 2 HB1 CYS 2 14.555 -1.995 -0.985 11 H ILE 3 HN ILE 3 16.269 -2.518 -0.877 12 HA ILE 3 HA ILE 3 17.448 -2.381 -3.478 13 HB ILE 3 HB ILE 3 19.048 -0.953 -2.504 14 HG12 ILE 3 HG12 ILE 3 18.421 -2.318 0.134 15 HG13 ILE 3 HG11 ILE 3 19.885 -2.541 -0.825 16 HG21 ILE 3 HG21 ILE 3 17.015 -0.520 -0.378 17 HG22 ILE 3 HG22 ILE 3 16.424 -0.492 -2.040 18 HG23 ILE 3 HG23 ILE 3 17.693 0.625 -1.536 19 HD11 ILE 3 HD11 ILE 3 19.391 -0.558 1.145 20 HD12 ILE 3 HD12 ILE 3 19.459 0.270 -0.409 21 HD13 ILE 3 HD13 ILE 3 20.815 -0.726 0.120 22 H DBB 4 HN DBB 4 18.209 -4.108 -0.483 23 HA DBB 4 HA DBB 4 19.912 -5.957 -2.027 24 HB2 DBB 4 HB2 DBB 4 19.400 -7.613 -0.452 25 HG1 DBB 4 HG1 DBB 4 18.411 -5.455 1.424 26 HG2 DBB 4 HG2 DBB 4 20.014 -6.185 1.498 27 HG3 DBB 4 HG3 DBB 4 18.584 -7.172 1.789 28 H GLY 5 HN GLY 5 19.886 -3.616 0.516 29 HA2 GLY 5 HA2 GLY 5 22.720 -4.216 1.130 30 HA3 GLY 5 HA1 GLY 5 22.131 -2.572 0.892 31 H GLU 6 HN GLU 6 22.626 -1.830 2.950 32 HA GLU 6 HA GLU 6 21.272 -3.170 5.204 33 HB2 GLU 6 HB2 GLU 6 22.851 -2.068 6.657 34 HB3 GLU 6 HB1 GLU 6 23.756 -2.836 5.352 35 HG2 GLU 6 HG2 GLU 6 23.813 -0.672 4.140 36 HG3 GLU 6 HG1 GLU 6 22.968 0.087 5.488 37 H SER 7 HN SER 7 20.589 -0.877 3.053 38 HA SER 7 HA SER 7 19.861 1.354 4.679 39 HB2 SER 7 HB2 SER 7 18.444 0.803 2.115 40 HB3 SER 7 HB1 SER 7 19.102 2.316 2.734 41 HG SER 7 HG SER 7 21.214 1.135 2.463 42 HA PRO 8 HA PRO 8 15.841 0.573 6.256 43 HB2 PRO 8 HB2 PRO 8 14.516 2.222 4.154 44 HB3 PRO 8 HB1 PRO 8 14.432 2.364 5.921 45 HG2 PRO 8 HG2 PRO 8 15.849 4.076 4.460 46 HG3 PRO 8 HG1 PRO 8 16.399 3.540 6.056 47 HD2 PRO 8 HD2 PRO 8 17.399 2.738 3.353 48 HD3 PRO 8 HD1 PRO 8 18.290 2.905 4.884 49 H GLY 9 HN GLY 9 15.890 0.479 2.708 50 HA2 GLY 9 HA2 GLY 9 15.427 -1.908 1.901 51 HA3 GLY 9 HA1 GLY 9 13.901 -1.704 2.757 52 H DAL 10 HN DAL 10 12.227 -0.922 1.640 53 HA DAL 10 HA DAL 10 10.995 -0.017 -0.075 54 HB1 DAL 10 HB2 DAL 10 13.512 -0.397 -1.709 55 HB2 DAL 10 HB3 DAL 10 11.868 -0.223 -2.323 56 H ALA 11 HN ALA 11 14.221 1.189 -0.984 57 HA ALA 11 HA ALA 11 13.242 3.919 -0.437 58 HB1 ALA 11 HB1 ALA 11 16.142 3.288 -0.819 59 HB2 ALA 11 HB2 ALA 11 15.374 2.888 0.718 60 HB3 ALA 11 HB3 ALA 11 15.388 4.557 0.146 61 HA PRO 12 HA PRO 12 13.406 3.296 -5.080 62 HB2 PRO 12 HB2 PRO 12 11.425 5.479 -4.864 63 HB3 PRO 12 HB1 PRO 12 11.326 3.954 -5.757 64 HG2 PRO 12 HG2 PRO 12 9.993 4.500 -3.432 65 HG3 PRO 12 HG1 PRO 12 10.343 2.879 -4.043 66 HD2 PRO 12 HD2 PRO 12 11.480 4.255 -1.724 67 HD3 PRO 12 HD1 PRO 12 11.585 2.543 -2.174 68 H DBB 13 HN DBB 13 14.575 4.596 -6.465 69 HA DBB 13 HA DBB 13 14.906 7.388 -6.229 70 HB2 DBB 13 HB2 DBB 13 15.423 6.272 -8.303 71 HG1 DBB 13 HG1 DBB 13 17.847 4.924 -7.782 72 HG2 DBB 13 HG2 DBB 13 16.291 4.214 -8.213 73 HG3 DBB 13 HG3 DBB 13 16.721 4.430 -6.516 74 H ASN 14 HN ASN 14 16.378 4.667 -4.678 75 HA ASN 14 HA ASN 14 18.606 6.169 -3.579 76 HB2 ASN 14 HB2 ASN 14 16.598 6.835 -2.207 77 HB3 ASN 14 HB1 ASN 14 16.450 5.145 -1.718 78 HD21 ASN 14 HD21 ASN 14 16.965 7.120 0.245 79 HD22 ASN 14 HD22 ASN 14 18.554 6.924 0.823 80 H ASP 15 HN ASP 15 17.823 3.561 -5.025 81 HA ASP 15 HA ASP 15 19.227 1.731 -3.168 82 HB2 ASP 15 HB2 ASP 15 18.001 -0.111 -4.151 83 HB3 ASP 15 HB1 ASP 15 16.859 1.111 -3.599 84 H TYR 16 HN TYR 16 21.287 2.072 -3.893 85 HA TYR 16 HA TYR 16 23.045 2.218 -5.425 86 HB2 TYR 16 HB2 TYR 16 23.472 -0.032 -6.375 87 HB3 TYR 16 HB1 TYR 16 23.020 -0.097 -4.674 88 HD1 TYR 16 HD1 TYR 16 21.891 -0.726 -8.134 89 HD2 TYR 16 HD2 TYR 16 20.895 -1.029 -3.966 90 HE1 TYR 16 HE1 TYR 16 19.999 -2.230 -8.694 91 HE2 TYR 16 HE2 TYR 16 19.002 -2.531 -4.527 92 HH TYR 16 HH TYR 16 17.609 -2.772 -7.299 93 H LYS 17 HN LYS 17 20.507 3.300 -6.506 94 HA LYS 17 HA LYS 17 21.288 3.271 -9.308 95 HB2 LYS 17 HB2 LYS 17 18.741 2.079 -8.293 96 HB3 LYS 17 HB1 LYS 17 18.723 2.944 -9.831 97 HG2 LYS 17 HG2 LYS 17 20.505 1.520 -10.698 98 HG3 LYS 17 HG1 LYS 17 20.641 0.698 -9.142 99 HD2 LYS 17 HD2 LYS 17 18.328 -0.116 -9.355 100 HD3 LYS 17 HD1 LYS 17 18.167 0.720 -10.899 101 HE2 LYS 17 HE2 LYS 17 19.984 -0.645 -11.842 102 HE3 LYS 17 HE1 LYS 17 20.177 -1.470 -10.296 103 HZ1 LYS 17 HZ1 LYS 17 18.709 -2.911 -11.129 104 HZ2 LYS 17 HZ2 LYS 17 18.189 -1.845 -12.345 105 HZ3 LYS 17 HZ3 LYS 17 17.539 -1.734 -10.780 106 H CYS 18 HN CYS 18 21.062 5.143 -6.956 107 HA CYS 18 HA CYS 18 19.881 7.344 -8.438 108 HB2 CYS 18 HB2 CYS 18 18.426 6.006 -6.329 109 HB3 CYS 18 HB1 CYS 18 18.773 7.676 -5.882 110 H DBB 19 HN DBB 19 22.494 7.144 -7.976 111 HA DBB 19 HA DBB 19 23.348 9.437 -6.830 112 HB2 DBB 19 HB2 DBB 19 24.750 6.756 -6.744 113 HG1 DBB 19 HG1 DBB 19 26.777 8.459 -6.736 114 HG2 DBB 19 HG2 DBB 19 26.001 7.992 -5.222 115 HG3 DBB 19 HG3 DBB 19 25.596 9.531 -5.983 116 H LYS 20 HN LYS 20 22.104 6.685 -5.180 117 HA LYS 20 HA LYS 20 23.032 7.721 -2.579 118 HB2 LYS 20 HB2 LYS 20 20.170 7.151 -3.365 119 HB3 LYS 20 HB1 LYS 20 20.706 7.379 -1.699 120 HG2 LYS 20 HG2 LYS 20 21.559 9.619 -2.273 121 HG3 LYS 20 HG1 LYS 20 21.030 9.396 -3.942 122 HD2 LYS 20 HD2 LYS 20 18.698 9.162 -3.181 123 HD3 LYS 20 HD1 LYS 20 19.219 9.377 -1.509 124 HE2 LYS 20 HE2 LYS 20 20.079 11.621 -2.059 125 HE3 LYS 20 HE1 LYS 20 19.566 11.410 -3.733 126 HZ1 LYS 20 HZ1 LYS 20 18.035 12.613 -2.027 127 HZ2 LYS 20 HZ2 LYS 20 17.603 11.030 -1.586 128 HZ3 LYS 20 HZ3 LYS 20 17.368 11.564 -3.181 129 H GLY 21 HN GLY 21 22.989 6.192 -0.867 130 HA2 GLY 21 HA2 GLY 21 22.186 3.826 -0.321 131 HA3 GLY 21 HA1 GLY 21 23.015 3.393 -1.813 132 H ARG 22 HN ARG 22 23.622 2.351 0.777 133 HA ARG 22 HA ARG 22 26.368 3.395 1.111 134 HB2 ARG 22 HB2 ARG 22 24.939 4.003 3.039 135 HB3 ARG 22 HB1 ARG 22 24.582 2.294 3.291 136 HG2 ARG 22 HG2 ARG 22 26.966 1.826 3.641 137 HG3 ARG 22 HG1 ARG 22 27.354 3.522 3.346 138 HD2 ARG 22 HD2 ARG 22 25.511 2.567 5.550 139 HD3 ARG 22 HD1 ARG 22 27.218 2.927 5.784 140 HE ARG 22 HE ARG 22 26.165 5.190 4.610 141 HH11 ARG 22 HH11 ARG 22 25.533 3.262 7.412 142 HH12 ARG 22 HH12 ARG 22 24.944 4.587 8.361 143 HH21 ARG 22 HH21 ARG 22 25.396 6.932 5.848 144 HH22 ARG 22 HH22 ARG 22 24.867 6.665 7.476 145 H GLY 23 HN GLY 23 27.973 1.922 1.068 146 HA2 GLY 23 HA2 GLY 23 28.841 -0.285 1.564 147 HA3 GLY 23 HA1 GLY 23 27.249 -0.940 1.191 148 HA PRO 24 HA PRO 24 28.939 -1.802 -2.802 149 HB2 PRO 24 HB2 PRO 24 26.636 -2.544 -4.047 150 HB3 PRO 24 HB1 PRO 24 27.440 -3.561 -2.834 151 HG2 PRO 24 HG2 PRO 24 25.083 -1.760 -2.534 152 HG3 PRO 24 HG1 PRO 24 25.362 -3.376 -1.861 153 HD2 PRO 24 HD2 PRO 24 25.706 -1.072 -0.410 154 HD3 PRO 24 HD1 PRO 24 26.606 -2.570 -0.083 155 H GLY 25 HN GLY 25 29.072 -0.886 -4.868 156 HA2 GLY 25 HA2 GLY 25 28.294 1.856 -5.080 157 HA3 GLY 25 HA1 GLY 25 29.096 0.905 -6.326 158 H GLY 26 HN GLY 26 26.880 2.815 -6.587 159 HA2 GLY 26 HA2 GLY 26 25.353 1.641 -8.551 160 HA3 GLY 26 HA1 GLY 26 24.458 1.359 -7.061 161 H CYS 27 HN CYS 27 25.348 3.661 -9.459 162 HA CYS 27 HA CYS 27 23.813 5.741 -8.020 163 HB2 CYS 27 HB2 CYS 27 26.339 6.116 -8.514 164 HB3 CYS 27 HB1 CYS 27 25.809 6.368 -10.177 165 H TYR 28 HN TYR 28 21.897 6.112 -8.899 166 HA TYR 28 HA TYR 28 20.268 6.519 -10.457 167 HB2 TYR 28 HB2 TYR 28 22.552 6.350 -12.438 168 HB3 TYR 28 HB1 TYR 28 20.916 6.891 -12.811 169 HD1 TYR 28 HD1 TYR 28 24.015 8.161 -12.376 170 HD2 TYR 28 HD2 TYR 28 20.099 8.569 -10.660 171 HE1 TYR 28 HE1 TYR 28 24.593 10.446 -11.605 172 HE2 TYR 28 HE2 TYR 28 20.675 10.855 -9.888 173 HH TYR 28 HH TYR 28 23.381 12.000 -9.393 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 11.568 -5.918 2.656 2 H2 CYS 1 HT2 CYS 1 12.351 -6.302 4.115 3 H3 CYS 1 HT3 CYS 1 12.437 -7.368 2.796 4 HA CYS 1 HA CYS 1 13.598 -4.637 2.888 5 HB2 CYS 1 HB2 CYS 1 14.776 -6.317 4.307 6 HB3 CYS 1 HB1 CYS 1 14.935 -7.365 2.899 7 H CYS 2 HN CYS 2 14.275 -3.860 0.944 8 HA CYS 2 HA CYS 2 13.514 -5.389 -1.437 9 HB2 CYS 2 HB2 CYS 2 14.181 -3.144 -2.552 10 HB3 CYS 2 HB1 CYS 2 12.710 -3.189 -1.580 11 H ILE 3 HN ILE 3 16.298 -3.422 -0.380 12 HA ILE 3 HA ILE 3 18.040 -4.662 -2.326 13 HB ILE 3 HB ILE 3 18.209 -2.438 -0.376 14 HG12 ILE 3 HG12 ILE 3 19.649 -1.575 -2.322 15 HG13 ILE 3 HG11 ILE 3 19.178 -3.047 -3.173 16 HG21 ILE 3 HG21 ILE 3 20.041 -3.937 0.402 17 HG22 ILE 3 HG22 ILE 3 20.662 -2.458 -0.329 18 HG23 ILE 3 HG23 ILE 3 20.686 -3.966 -1.239 19 HD11 ILE 3 HD11 ILE 3 17.743 -0.729 -3.249 20 HD12 ILE 3 HD12 ILE 3 16.950 -1.562 -1.912 21 HD13 ILE 3 HD13 ILE 3 17.039 -2.326 -3.499 22 H DBB 4 HN DBB 4 16.827 -5.610 0.598 23 HA DBB 4 HA DBB 4 17.914 -7.977 0.992 24 HB2 DBB 4 HB2 DBB 4 16.946 -7.761 3.013 25 HG1 DBB 4 HG1 DBB 4 19.272 -7.414 3.869 26 HG2 DBB 4 HG2 DBB 4 18.060 -6.574 4.838 27 HG3 DBB 4 HG3 DBB 4 19.047 -5.673 3.684 28 H GLY 5 HN GLY 5 19.602 -4.977 1.845 29 HA2 GLY 5 HA2 GLY 5 22.139 -6.507 1.975 30 HA3 GLY 5 HA1 GLY 5 22.022 -4.971 1.122 31 H GLU 6 HN GLU 6 22.830 -3.320 2.233 32 HA GLU 6 HA GLU 6 22.474 -3.292 5.167 33 HB2 GLU 6 HB2 GLU 6 24.904 -2.479 3.560 34 HB3 GLU 6 HB1 GLU 6 24.683 -2.103 5.270 35 HG2 GLU 6 HG2 GLU 6 24.510 -4.485 5.802 36 HG3 GLU 6 HG1 GLU 6 24.646 -4.897 4.093 37 H SER 7 HN SER 7 21.208 -1.991 2.630 38 HA SER 7 HA SER 7 21.507 0.822 3.441 39 HB2 SER 7 HB2 SER 7 20.614 1.412 1.292 40 HB3 SER 7 HB1 SER 7 21.845 0.181 1.028 41 HG SER 7 HG SER 7 19.788 -0.147 -0.079 42 HA PRO 8 HA PRO 8 17.477 1.263 5.095 43 HB2 PRO 8 HB2 PRO 8 16.681 3.245 3.040 44 HB3 PRO 8 HB1 PRO 8 16.844 3.445 4.794 45 HG2 PRO 8 HG2 PRO 8 18.597 4.514 3.086 46 HG3 PRO 8 HG1 PRO 8 19.092 3.886 4.668 47 HD2 PRO 8 HD2 PRO 8 19.411 2.633 1.962 48 HD3 PRO 8 HD1 PRO 8 20.531 2.627 3.343 49 H GLY 9 HN GLY 9 15.378 0.488 4.914 50 HA2 GLY 9 HA2 GLY 9 14.712 -1.479 3.153 51 HA3 GLY 9 HA1 GLY 9 13.504 -0.476 3.949 52 H DAL 10 HN DAL 10 12.686 -1.325 1.616 53 HA DAL 10 HA DAL 10 11.619 -0.308 -0.216 54 HB1 DAL 10 HB2 DAL 10 14.210 0.155 -1.499 55 HB2 DAL 10 HB3 DAL 10 12.906 -0.941 -1.958 56 H ALA 11 HN ALA 11 13.163 1.481 -2.037 57 HA ALA 11 HA ALA 11 12.138 3.938 -1.215 58 HB1 ALA 11 HB1 ALA 11 15.102 4.079 -0.904 59 HB2 ALA 11 HB2 ALA 11 14.159 3.442 0.444 60 HB3 ALA 11 HB3 ALA 11 13.843 5.069 -0.162 61 HA PRO 12 HA PRO 12 13.560 3.263 -5.627 62 HB2 PRO 12 HB2 PRO 12 11.272 4.655 -6.508 63 HB3 PRO 12 HB1 PRO 12 11.476 2.895 -6.472 64 HG2 PRO 12 HG2 PRO 12 10.084 4.680 -4.556 65 HG3 PRO 12 HG1 PRO 12 9.710 3.016 -5.037 66 HD2 PRO 12 HD2 PRO 12 10.840 3.558 -2.641 67 HD3 PRO 12 HD1 PRO 12 11.253 2.092 -3.556 68 H DBB 13 HN DBB 13 14.730 4.738 -6.734 69 HA DBB 13 HA DBB 13 14.197 7.544 -6.703 70 HB2 DBB 13 HB2 DBB 13 15.290 6.954 -8.645 71 HG1 DBB 13 HG1 DBB 13 17.499 5.445 -8.292 72 HG2 DBB 13 HG2 DBB 13 15.900 4.752 -8.544 73 HG3 DBB 13 HG3 DBB 13 16.547 4.900 -6.912 74 H ASN 14 HN ASN 14 15.161 5.619 -4.333 75 HA ASN 14 HA ASN 14 16.902 7.653 -3.079 76 HB2 ASN 14 HB2 ASN 14 14.646 7.555 -2.087 77 HB3 ASN 14 HB1 ASN 14 14.865 5.832 -1.771 78 HD21 ASN 14 HD21 ASN 14 16.394 9.016 -1.036 79 HD22 ASN 14 HD22 ASN 14 16.973 8.544 0.494 80 H ASP 15 HN ASP 15 16.870 4.605 -4.343 81 HA ASP 15 HA ASP 15 19.340 3.887 -3.044 82 HB2 ASP 15 HB2 ASP 15 16.781 2.462 -2.384 83 HB3 ASP 15 HB1 ASP 15 18.307 1.579 -2.398 84 H TYR 16 HN TYR 16 19.972 1.560 -3.795 85 HA TYR 16 HA TYR 16 20.359 0.071 -5.512 86 HB2 TYR 16 HB2 TYR 16 17.881 -0.075 -5.691 87 HB3 TYR 16 HB1 TYR 16 17.911 1.288 -6.811 88 HD1 TYR 16 HD1 TYR 16 19.015 -2.223 -6.303 89 HD2 TYR 16 HD2 TYR 16 18.599 1.020 -9.093 90 HE1 TYR 16 HE1 TYR 16 19.514 -3.769 -8.178 91 HE2 TYR 16 HE2 TYR 16 19.098 -0.528 -10.966 92 HH TYR 16 HH TYR 16 19.658 -4.001 -10.380 93 H LYS 17 HN LYS 17 19.025 2.987 -7.076 94 HA LYS 17 HA LYS 17 21.644 3.685 -8.125 95 HB2 LYS 17 HB2 LYS 17 19.433 2.605 -9.845 96 HB3 LYS 17 HB1 LYS 17 20.569 3.787 -10.494 97 HG2 LYS 17 HG2 LYS 17 22.454 2.348 -9.938 98 HG3 LYS 17 HG1 LYS 17 21.377 1.188 -9.157 99 HD2 LYS 17 HD2 LYS 17 20.202 0.878 -11.345 100 HD3 LYS 17 HD1 LYS 17 21.403 1.930 -12.096 101 HE2 LYS 17 HE2 LYS 17 22.103 -0.589 -10.566 102 HE3 LYS 17 HE1 LYS 17 21.912 -0.531 -12.319 103 HZ1 LYS 17 HZ1 LYS 17 24.232 -0.268 -11.597 104 HZ2 LYS 17 HZ2 LYS 17 23.805 1.152 -10.769 105 HZ3 LYS 17 HZ3 LYS 17 23.668 1.078 -12.460 106 H CYS 18 HN CYS 18 20.740 5.347 -6.498 107 HA CYS 18 HA CYS 18 19.707 7.579 -8.068 108 HB2 CYS 18 HB2 CYS 18 17.982 6.086 -6.394 109 HB3 CYS 18 HB1 CYS 18 18.316 7.598 -5.560 110 H DBB 19 HN DBB 19 22.250 7.269 -7.133 111 HA DBB 19 HA DBB 19 22.852 9.608 -5.840 112 HB2 DBB 19 HB2 DBB 19 24.362 6.993 -5.603 113 HG1 DBB 19 HG1 DBB 19 25.192 8.553 -3.969 114 HG2 DBB 19 HG2 DBB 19 25.136 9.882 -5.126 115 HG3 DBB 19 HG3 DBB 19 26.315 8.586 -5.328 116 H LYS 20 HN LYS 20 21.523 6.737 -4.476 117 HA LYS 20 HA LYS 20 21.997 7.780 -1.750 118 HB2 LYS 20 HB2 LYS 20 19.427 6.682 -2.907 119 HB3 LYS 20 HB1 LYS 20 19.691 6.973 -1.188 120 HG2 LYS 20 HG2 LYS 20 19.980 9.092 -3.335 121 HG3 LYS 20 HG1 LYS 20 18.538 8.878 -2.343 122 HD2 LYS 20 HD2 LYS 20 19.866 9.261 -0.308 123 HD3 LYS 20 HD1 LYS 20 21.322 9.451 -1.286 124 HE2 LYS 20 HE2 LYS 20 20.310 11.386 -2.429 125 HE3 LYS 20 HE1 LYS 20 18.851 11.200 -1.458 126 HZ1 LYS 20 HZ1 LYS 20 21.169 12.588 -0.800 127 HZ2 LYS 20 HZ2 LYS 20 21.098 11.242 0.234 128 HZ3 LYS 20 HZ3 LYS 20 19.798 12.336 0.170 129 H GLY 21 HN GLY 21 22.295 6.276 -0.128 130 HA2 GLY 21 HA2 GLY 21 21.870 3.781 0.372 131 HA3 GLY 21 HA1 GLY 21 22.861 3.537 -1.065 132 H ARG 22 HN ARG 22 22.903 3.816 2.266 133 HA ARG 22 HA ARG 22 25.406 5.078 2.716 134 HB2 ARG 22 HB2 ARG 22 23.782 3.125 4.350 135 HB3 ARG 22 HB1 ARG 22 25.286 3.845 4.928 136 HG2 ARG 22 HG2 ARG 22 24.351 6.094 4.625 137 HG3 ARG 22 HG1 ARG 22 22.854 5.400 4.002 138 HD2 ARG 22 HD2 ARG 22 22.499 4.241 6.153 139 HD3 ARG 22 HD1 ARG 22 23.990 4.943 6.773 140 HE ARG 22 HE ARG 22 22.899 7.012 6.966 141 HH11 ARG 22 HH11 ARG 22 20.971 4.652 5.318 142 HH12 ARG 22 HH12 ARG 22 19.515 5.585 5.400 143 HH21 ARG 22 HH21 ARG 22 20.993 8.241 7.066 144 HH22 ARG 22 HH22 ARG 22 19.527 7.615 6.386 145 H GLY 23 HN GLY 23 24.455 1.723 2.148 146 HA2 GLY 23 HA2 GLY 23 27.198 0.785 2.460 147 HA3 GLY 23 HA1 GLY 23 25.785 -0.210 2.129 148 HA PRO 24 HA PRO 24 27.913 -0.296 -1.855 149 HB2 PRO 24 HB2 PRO 24 26.425 -2.390 -2.828 150 HB3 PRO 24 HB1 PRO 24 27.847 -2.589 -1.786 151 HG2 PRO 24 HG2 PRO 24 24.955 -2.680 -1.083 152 HG3 PRO 24 HG1 PRO 24 26.293 -3.678 -0.492 153 HD2 PRO 24 HD2 PRO 24 25.257 -1.616 0.959 154 HD3 PRO 24 HD1 PRO 24 26.964 -2.096 1.066 155 H GLY 25 HN GLY 25 24.568 0.130 -1.087 156 HA2 GLY 25 HA2 GLY 25 22.967 0.326 -3.112 157 HA3 GLY 25 HA1 GLY 25 23.219 1.785 -2.159 158 H GLY 26 HN GLY 26 22.890 0.944 -5.189 159 HA2 GLY 26 HA2 GLY 26 25.231 2.095 -6.423 160 HA3 GLY 26 HA1 GLY 26 23.754 1.598 -7.241 161 H CYS 27 HN CYS 27 24.742 3.839 -8.189 162 HA CYS 27 HA CYS 27 23.325 6.039 -6.824 163 HB2 CYS 27 HB2 CYS 27 25.859 6.169 -7.343 164 HB3 CYS 27 HB1 CYS 27 25.348 6.420 -9.013 165 H TYR 28 HN TYR 28 22.709 7.811 -8.567 166 HA TYR 28 HA TYR 28 20.485 7.055 -9.920 167 HB2 TYR 28 HB2 TYR 28 20.980 9.001 -11.499 168 HB3 TYR 28 HB1 TYR 28 20.939 9.371 -9.776 169 HD1 TYR 28 HD1 TYR 28 23.170 8.734 -12.669 170 HD2 TYR 28 HD2 TYR 28 22.906 10.067 -8.597 171 HE1 TYR 28 HE1 TYR 28 25.498 9.575 -12.793 172 HE2 TYR 28 HE2 TYR 28 25.234 10.908 -8.720 173 HH TYR 28 HH TYR 28 26.787 11.657 -11.196 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 14.624 -7.621 4.578 2 H2 CYS 1 HT2 CYS 1 13.686 -7.916 3.194 3 H3 CYS 1 HT3 CYS 1 13.244 -6.684 4.278 4 HA CYS 1 HA CYS 1 14.627 -5.205 3.382 5 HB2 CYS 1 HB2 CYS 1 16.497 -6.661 4.396 6 HB3 CYS 1 HB1 CYS 1 16.668 -7.350 2.781 7 H CYS 2 HN CYS 2 14.382 -4.380 1.378 8 HA CYS 2 HA CYS 2 13.677 -6.236 -0.784 9 HB2 CYS 2 HB2 CYS 2 12.383 -4.568 -1.653 10 HB3 CYS 2 HB1 CYS 2 12.436 -3.975 0.006 11 H ILE 3 HN ILE 3 15.939 -3.651 0.021 12 HA ILE 3 HA ILE 3 17.400 -4.138 -2.483 13 HB ILE 3 HB ILE 3 16.977 -1.812 -0.755 14 HG12 ILE 3 HG12 ILE 3 17.394 -0.648 -2.854 15 HG13 ILE 3 HG11 ILE 3 18.063 -2.116 -3.569 16 HG21 ILE 3 HG21 ILE 3 19.202 -0.857 -1.034 17 HG22 ILE 3 HG22 ILE 3 19.756 -2.302 -1.874 18 HG23 ILE 3 HG23 ILE 3 19.344 -2.378 -0.162 19 HD11 ILE 3 HD11 ILE 3 15.710 -3.125 -2.860 20 HD12 ILE 3 HD12 ILE 3 15.889 -2.229 -4.367 21 HD13 ILE 3 HD13 ILE 3 15.214 -1.434 -2.946 22 H DBB 4 HN DBB 4 17.342 -5.209 0.624 23 HA DBB 4 HA DBB 4 19.372 -6.888 0.726 24 HB2 DBB 4 HB2 DBB 4 18.809 -6.940 2.910 25 HG1 DBB 4 HG1 DBB 4 19.888 -4.126 3.233 26 HG2 DBB 4 HG2 DBB 4 20.924 -5.552 3.197 27 HG3 DBB 4 HG3 DBB 4 19.732 -5.360 4.483 28 H GLY 5 HN GLY 5 19.831 -3.429 1.438 29 HA2 GLY 5 HA2 GLY 5 22.696 -3.748 0.751 30 HA3 GLY 5 HA1 GLY 5 21.747 -2.353 0.250 31 H GLU 6 HN GLU 6 21.789 -0.602 1.528 32 HA GLU 6 HA GLU 6 22.613 -0.951 4.345 33 HB2 GLU 6 HB2 GLU 6 24.469 -0.010 3.033 34 HB3 GLU 6 HB1 GLU 6 23.415 1.289 2.473 35 HG2 GLU 6 HG2 GLU 6 24.700 2.141 4.333 36 HG3 GLU 6 HG1 GLU 6 23.039 1.923 4.882 37 H SER 7 HN SER 7 20.351 0.248 2.142 38 HA SER 7 HA SER 7 18.891 1.554 4.313 39 HB2 SER 7 HB2 SER 7 18.646 3.617 3.280 40 HB3 SER 7 HB1 SER 7 20.308 3.217 2.857 41 HG SER 7 HG SER 7 19.719 2.855 0.838 42 HA PRO 8 HA PRO 8 16.404 -1.353 1.625 43 HB2 PRO 8 HB2 PRO 8 15.090 -1.679 4.274 44 HB3 PRO 8 HB1 PRO 8 15.603 -2.912 3.105 45 HG2 PRO 8 HG2 PRO 8 16.944 -2.473 5.373 46 HG3 PRO 8 HG1 PRO 8 17.761 -2.932 3.870 47 HD2 PRO 8 HD2 PRO 8 17.644 -0.263 5.208 48 HD3 PRO 8 HD1 PRO 8 18.945 -0.983 4.233 49 H GLY 9 HN GLY 9 13.705 -1.505 2.748 50 HA2 GLY 9 HA2 GLY 9 11.735 -0.280 2.946 51 HA3 GLY 9 HA1 GLY 9 12.681 1.205 2.877 52 H DAL 10 HN DAL 10 13.344 -1.115 0.446 53 HA DAL 10 HA DAL 10 11.492 0.122 -1.467 54 HB1 DAL 10 HB2 DAL 10 12.321 -1.714 -2.983 55 HB2 DAL 10 HB3 DAL 10 11.502 -2.283 -1.530 56 H ALA 11 HN ALA 11 13.742 1.627 -0.442 57 HA ALA 11 HA ALA 11 15.391 3.026 -1.210 58 HB1 ALA 11 HB1 ALA 11 16.044 0.647 -2.965 59 HB2 ALA 11 HB2 ALA 11 16.694 0.955 -1.354 60 HB3 ALA 11 HB3 ALA 11 17.095 2.036 -2.690 61 HA PRO 12 HA PRO 12 12.776 3.746 -5.073 62 HB2 PRO 12 HB2 PRO 12 11.312 5.848 -4.079 63 HB3 PRO 12 HB1 PRO 12 10.782 4.156 -4.010 64 HG2 PRO 12 HG2 PRO 12 11.968 5.856 -1.887 65 HG3 PRO 12 HG1 PRO 12 10.728 4.598 -1.770 66 HD2 PRO 12 HD2 PRO 12 13.359 4.217 -1.054 67 HD3 PRO 12 HD1 PRO 12 12.276 2.908 -1.572 68 H DBB 13 HN DBB 13 15.424 4.511 -4.538 69 HA DBB 13 HA DBB 13 15.434 7.374 -5.300 70 HB2 DBB 13 HB2 DBB 13 17.064 6.961 -6.923 71 HG1 DBB 13 HG1 DBB 13 15.967 4.217 -7.150 72 HG2 DBB 13 HG2 DBB 13 15.955 5.531 -8.330 73 HG3 DBB 13 HG3 DBB 13 14.761 5.498 -7.031 74 H ASN 14 HN ASN 14 16.529 4.959 -3.182 75 HA ASN 14 HA ASN 14 18.615 6.756 -2.108 76 HB2 ASN 14 HB2 ASN 14 16.761 6.939 -0.634 77 HB3 ASN 14 HB1 ASN 14 16.463 5.202 -0.685 78 HD21 ASN 14 HD21 ASN 14 16.789 4.815 1.587 79 HD22 ASN 14 HD22 ASN 14 18.302 5.028 2.339 80 H ASP 15 HN ASP 15 17.803 3.653 -3.236 81 HA ASP 15 HA ASP 15 20.459 2.665 -2.605 82 HB2 ASP 15 HB2 ASP 15 18.407 2.084 -0.820 83 HB3 ASP 15 HB1 ASP 15 18.498 0.654 -1.849 84 H TYR 16 HN TYR 16 20.055 3.060 -5.056 85 HA TYR 16 HA TYR 16 20.083 0.627 -6.392 86 HB2 TYR 16 HB2 TYR 16 17.640 0.613 -5.697 87 HB3 TYR 16 HB1 TYR 16 17.412 1.979 -6.788 88 HD1 TYR 16 HD1 TYR 16 19.857 -0.715 -7.419 89 HD2 TYR 16 HD2 TYR 16 15.952 0.818 -8.341 90 HE1 TYR 16 HE1 TYR 16 19.696 -2.278 -9.338 91 HE2 TYR 16 HE2 TYR 16 15.792 -0.743 -10.263 92 HH TYR 16 HH TYR 16 16.721 -2.706 -11.118 93 H LYS 17 HN LYS 17 21.805 1.875 -7.269 94 HA LYS 17 HA LYS 17 22.818 3.229 -8.824 95 HB2 LYS 17 HB2 LYS 17 20.167 2.802 -10.227 96 HB3 LYS 17 HB1 LYS 17 21.632 3.425 -10.987 97 HG2 LYS 17 HG2 LYS 17 22.816 1.327 -10.364 98 HG3 LYS 17 HG1 LYS 17 21.312 0.705 -9.688 99 HD2 LYS 17 HD2 LYS 17 20.220 0.909 -11.885 100 HD3 LYS 17 HD1 LYS 17 21.715 1.541 -12.573 101 HE2 LYS 17 HE2 LYS 17 22.872 -0.561 -12.000 102 HE3 LYS 17 HE1 LYS 17 21.378 -1.197 -11.314 103 HZ1 LYS 17 HZ1 LYS 17 20.749 -1.826 -13.323 104 HZ2 LYS 17 HZ2 LYS 17 22.206 -1.247 -13.978 105 HZ3 LYS 17 HZ3 LYS 17 20.846 -0.231 -13.892 106 H CYS 18 HN CYS 18 20.530 4.282 -6.861 107 HA CYS 18 HA CYS 18 19.566 6.694 -7.991 108 HB2 CYS 18 HB2 CYS 18 20.082 6.071 -5.072 109 HB3 CYS 18 HB1 CYS 18 18.943 7.256 -5.721 110 H DBB 19 HN DBB 19 22.423 5.854 -6.125 111 HA DBB 19 HA DBB 19 23.412 8.624 -6.315 112 HB2 DBB 19 HB2 DBB 19 25.688 7.069 -6.583 113 HG1 DBB 19 HG1 DBB 19 24.744 9.232 -7.759 114 HG2 DBB 19 HG2 DBB 19 24.243 8.088 -9.006 115 HG3 DBB 19 HG3 DBB 19 25.947 8.236 -8.580 116 H LYS 20 HN LYS 20 22.609 6.030 -4.486 117 HA LYS 20 HA LYS 20 24.347 6.890 -2.264 118 HB2 LYS 20 HB2 LYS 20 21.970 7.229 -1.846 119 HB3 LYS 20 HB1 LYS 20 21.633 5.548 -2.253 120 HG2 LYS 20 HG2 LYS 20 21.728 5.787 0.174 121 HG3 LYS 20 HG1 LYS 20 23.107 4.834 -0.374 122 HD2 LYS 20 HD2 LYS 20 24.550 6.810 -0.280 123 HD3 LYS 20 HD1 LYS 20 23.175 7.814 0.182 124 HE2 LYS 20 HE2 LYS 20 22.893 6.504 2.244 125 HE3 LYS 20 HE1 LYS 20 24.250 5.475 1.784 126 HZ1 LYS 20 HZ1 LYS 20 25.484 6.943 2.892 127 HZ2 LYS 20 HZ2 LYS 20 24.253 8.115 2.918 128 HZ3 LYS 20 HZ3 LYS 20 25.266 7.971 1.561 129 H GLY 21 HN GLY 21 25.040 5.219 -0.740 130 HA2 GLY 21 HA2 GLY 21 26.360 3.077 -1.957 131 HA3 GLY 21 HA1 GLY 21 26.064 3.222 -0.228 132 H ARG 22 HN ARG 22 26.069 0.769 -1.545 133 HA ARG 22 HA ARG 22 23.383 -0.170 -0.932 134 HB2 ARG 22 HB2 ARG 22 24.490 -0.039 -3.686 135 HB3 ARG 22 HB1 ARG 22 23.630 -1.510 -3.237 136 HG2 ARG 22 HG2 ARG 22 21.677 -0.205 -2.574 137 HG3 ARG 22 HG1 ARG 22 22.539 1.297 -2.909 138 HD2 ARG 22 HD2 ARG 22 22.051 -0.841 -4.993 139 HD3 ARG 22 HD1 ARG 22 20.986 0.539 -4.756 140 HE ARG 22 HE ARG 22 23.506 0.565 -6.103 141 HH11 ARG 22 HH11 ARG 22 21.432 2.364 -3.999 142 HH12 ARG 22 HH12 ARG 22 22.007 3.912 -4.523 143 HH21 ARG 22 HH21 ARG 22 24.243 2.601 -6.822 144 HH22 ARG 22 HH22 ARG 22 23.598 4.045 -6.121 145 H GLY 23 HN GLY 23 23.610 -2.720 -2.001 146 HA2 GLY 23 HA2 GLY 23 25.743 -3.827 -0.304 147 HA3 GLY 23 HA1 GLY 23 24.317 -4.693 -0.865 148 HA PRO 24 HA PRO 24 26.419 -6.618 -4.186 149 HB2 PRO 24 HB2 PRO 24 24.470 -5.395 -6.085 150 HB3 PRO 24 HB1 PRO 24 24.881 -7.102 -5.831 151 HG2 PRO 24 HG2 PRO 24 22.592 -6.077 -4.939 152 HG3 PRO 24 HG1 PRO 24 23.478 -7.312 -4.026 153 HD2 PRO 24 HD2 PRO 24 23.249 -4.378 -3.491 154 HD3 PRO 24 HD1 PRO 24 23.403 -5.729 -2.343 155 H GLY 25 HN GLY 25 25.436 -3.271 -4.870 156 HA2 GLY 25 HA2 GLY 25 27.705 -1.964 -5.232 157 HA3 GLY 25 HA1 GLY 25 27.682 -2.914 -6.715 158 H GLY 26 HN GLY 26 27.554 -0.018 -6.426 159 HA2 GLY 26 HA2 GLY 26 25.489 0.537 -8.302 160 HA3 GLY 26 HA1 GLY 26 25.022 1.099 -6.699 161 H CYS 27 HN CYS 27 25.135 3.115 -8.272 162 HA CYS 27 HA CYS 27 27.629 4.255 -8.929 163 HB2 CYS 27 HB2 CYS 27 26.348 6.408 -8.990 164 HB3 CYS 27 HB1 CYS 27 25.598 5.110 -9.920 165 H TYR 28 HN TYR 28 25.490 4.863 -6.145 166 HA TYR 28 HA TYR 28 25.926 5.646 -4.032 167 HB2 TYR 28 HB2 TYR 28 28.808 4.957 -4.633 168 HB3 TYR 28 HB1 TYR 28 28.061 5.127 -3.045 169 HD1 TYR 28 HD1 TYR 28 29.432 2.678 -3.428 170 HD2 TYR 28 HD2 TYR 28 25.483 3.731 -4.773 171 HE1 TYR 28 HE1 TYR 28 28.805 0.281 -3.468 172 HE2 TYR 28 HE2 TYR 28 24.863 1.332 -4.811 173 HH TYR 28 HH TYR 28 25.646 -0.774 -4.677 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 13.230 -8.260 2.485 2 H2 CYS 1 HT2 CYS 1 13.311 -7.499 4.002 3 H3 CYS 1 HT3 CYS 1 14.541 -8.565 3.518 4 HA CYS 1 HA CYS 1 14.285 -5.780 3.040 5 HB2 CYS 1 HB2 CYS 1 16.279 -7.184 3.851 6 HB3 CYS 1 HB1 CYS 1 16.494 -7.646 2.162 7 H CYS 2 HN CYS 2 14.250 -4.654 1.132 8 HA CYS 2 HA CYS 2 13.420 -6.159 -1.239 9 HB2 CYS 2 HB2 CYS 2 12.319 -4.274 -1.901 10 HB3 CYS 2 HB1 CYS 2 12.421 -3.887 -0.183 11 H ILE 3 HN ILE 3 15.856 -3.761 -0.263 12 HA ILE 3 HA ILE 3 17.357 -4.379 -2.729 13 HB ILE 3 HB ILE 3 16.602 -1.946 -2.016 14 HG12 ILE 3 HG12 ILE 3 18.863 -1.146 -3.015 15 HG13 ILE 3 HG11 ILE 3 19.252 -2.863 -3.132 16 HG21 ILE 3 HG21 ILE 3 17.692 -2.221 0.252 17 HG22 ILE 3 HG22 ILE 3 18.217 -0.796 -0.645 18 HG23 ILE 3 HG23 ILE 3 19.251 -2.224 -0.572 19 HD11 ILE 3 HD11 ILE 3 18.252 -2.535 -5.195 20 HD12 ILE 3 HD12 ILE 3 17.165 -1.286 -4.585 21 HD13 ILE 3 HD13 ILE 3 16.841 -2.984 -4.239 22 H DBB 4 HN DBB 4 17.203 -5.404 0.312 23 HA DBB 4 HA DBB 4 19.336 -6.915 0.600 24 HB2 DBB 4 HB2 DBB 4 18.652 -7.012 2.751 25 HG1 DBB 4 HG1 DBB 4 20.528 -5.331 3.196 26 HG2 DBB 4 HG2 DBB 4 19.209 -5.315 4.365 27 HG3 DBB 4 HG3 DBB 4 19.297 -4.072 3.117 28 H GLY 5 HN GLY 5 19.506 -3.442 1.385 29 HA2 GLY 5 HA2 GLY 5 22.416 -3.558 0.848 30 HA3 GLY 5 HA1 GLY 5 21.404 -2.183 0.414 31 H GLU 6 HN GLU 6 21.921 -0.521 1.692 32 HA GLU 6 HA GLU 6 22.421 -1.039 4.555 33 HB2 GLU 6 HB2 GLU 6 24.298 0.010 3.361 34 HB3 GLU 6 HB1 GLU 6 23.239 1.322 2.845 35 HG2 GLU 6 HG2 GLU 6 24.456 2.083 4.787 36 HG3 GLU 6 HG1 GLU 6 22.786 1.807 5.274 37 H SER 7 HN SER 7 20.186 0.172 2.367 38 HA SER 7 HA SER 7 19.086 2.219 4.099 39 HB2 SER 7 HB2 SER 7 17.675 1.096 1.702 40 HB3 SER 7 HB1 SER 7 17.628 2.732 2.352 41 HG SER 7 HG SER 7 20.125 2.306 1.809 42 HA PRO 8 HA PRO 8 16.079 0.026 6.404 43 HB2 PRO 8 HB2 PRO 8 13.896 1.499 5.004 44 HB3 PRO 8 HB1 PRO 8 14.247 1.381 6.739 45 HG2 PRO 8 HG2 PRO 8 14.779 3.595 5.360 46 HG3 PRO 8 HG1 PRO 8 15.834 3.036 6.669 47 HD2 PRO 8 HD2 PRO 8 16.272 2.902 3.714 48 HD3 PRO 8 HD1 PRO 8 17.456 3.105 5.024 49 H GLY 9 HN GLY 9 15.218 0.419 2.983 50 HA2 GLY 9 HA2 GLY 9 15.015 -2.297 2.387 51 HA3 GLY 9 HA1 GLY 9 13.398 -1.750 2.825 52 H DAL 10 HN DAL 10 12.209 -1.241 1.107 53 HA DAL 10 HA DAL 10 11.662 0.128 -0.740 54 HB1 DAL 10 HB2 DAL 10 12.707 -1.065 -2.781 55 HB2 DAL 10 HB3 DAL 10 11.679 -2.012 -1.709 56 H ALA 11 HN ALA 11 12.942 2.006 0.158 57 HA ALA 11 HA ALA 11 14.061 3.881 -0.738 58 HB1 ALA 11 HB1 ALA 11 15.547 2.123 0.889 59 HB2 ALA 11 HB2 ALA 11 15.815 3.850 0.643 60 HB3 ALA 11 HB3 ALA 11 16.640 2.672 -0.380 61 HA PRO 12 HA PRO 12 14.874 1.750 -4.876 62 HB2 PRO 12 HB2 PRO 12 13.330 4.110 -5.777 63 HB3 PRO 12 HB1 PRO 12 13.140 2.403 -6.213 64 HG2 PRO 12 HG2 PRO 12 11.449 3.741 -4.563 65 HG3 PRO 12 HG1 PRO 12 11.711 1.994 -4.501 66 HD2 PRO 12 HD2 PRO 12 12.602 4.095 -2.623 67 HD3 PRO 12 HD1 PRO 12 12.381 2.356 -2.348 68 H DBB 13 HN DBB 13 14.450 5.284 -4.954 69 HA DBB 13 HA DBB 13 15.847 6.933 -5.781 70 HB2 DBB 13 HB2 DBB 13 17.489 6.405 -7.282 71 HG1 DBB 13 HG1 DBB 13 15.391 4.631 -7.284 72 HG2 DBB 13 HG2 DBB 13 16.782 3.547 -7.270 73 HG3 DBB 13 HG3 DBB 13 16.611 4.742 -8.554 74 H ASN 14 HN ASN 14 16.488 4.783 -3.309 75 HA ASN 14 HA ASN 14 18.447 6.641 -2.120 76 HB2 ASN 14 HB2 ASN 14 16.456 6.597 -0.818 77 HB3 ASN 14 HB1 ASN 14 16.360 4.840 -0.903 78 HD21 ASN 14 HD21 ASN 14 17.933 7.542 0.720 79 HD22 ASN 14 HD22 ASN 14 18.753 6.605 1.882 80 H ASP 15 HN ASP 15 18.551 3.925 -3.796 81 HA ASP 15 HA ASP 15 20.958 2.993 -2.472 82 HB2 ASP 15 HB2 ASP 15 19.247 1.747 -1.250 83 HB3 ASP 15 HB1 ASP 15 18.570 1.160 -2.768 84 H TYR 16 HN TYR 16 18.926 0.998 -4.523 85 HA TYR 16 HA TYR 16 21.009 0.572 -6.408 86 HB2 TYR 16 HB2 TYR 16 19.061 -0.983 -5.850 87 HB3 TYR 16 HB1 TYR 16 18.078 0.046 -6.891 88 HD1 TYR 16 HD1 TYR 16 20.584 -2.564 -6.759 89 HD2 TYR 16 HD2 TYR 16 18.764 0.374 -9.312 90 HE1 TYR 16 HE1 TYR 16 21.467 -3.748 -8.749 91 HE2 TYR 16 HE2 TYR 16 19.645 -0.812 -11.303 92 HH TYR 16 HH TYR 16 21.370 -2.358 -11.908 93 H LYS 17 HN LYS 17 21.536 1.633 -8.207 94 HA LYS 17 HA LYS 17 21.460 3.086 -9.984 95 HB2 LYS 17 HB2 LYS 17 18.885 2.063 -9.822 96 HB3 LYS 17 HB1 LYS 17 18.645 3.809 -9.853 97 HG2 LYS 17 HG2 LYS 17 19.981 4.012 -11.863 98 HG3 LYS 17 HG1 LYS 17 20.407 2.304 -11.802 99 HD2 LYS 17 HD2 LYS 17 17.554 3.297 -12.027 100 HD3 LYS 17 HD1 LYS 17 18.542 2.860 -13.422 101 HE2 LYS 17 HE2 LYS 17 18.897 0.599 -12.359 102 HE3 LYS 17 HE1 LYS 17 17.713 1.054 -11.133 103 HZ1 LYS 17 HZ1 LYS 17 17.322 0.356 -13.923 104 HZ2 LYS 17 HZ2 LYS 17 16.390 1.662 -13.359 105 HZ3 LYS 17 HZ3 LYS 17 16.288 0.148 -12.594 106 H CYS 18 HN CYS 18 21.186 3.881 -6.928 107 HA CYS 18 HA CYS 18 21.201 6.761 -7.508 108 HB2 CYS 18 HB2 CYS 18 19.994 6.529 -4.985 109 HB3 CYS 18 HB1 CYS 18 19.236 7.081 -6.479 110 H DBB 19 HN DBB 19 22.264 4.015 -5.737 111 HA DBB 19 HA DBB 19 24.652 5.230 -4.888 112 HB2 DBB 19 HB2 DBB 19 23.579 2.618 -4.896 113 HG1 DBB 19 HG1 DBB 19 24.378 3.542 -2.123 114 HG2 DBB 19 HG2 DBB 19 24.376 1.849 -2.618 115 HG3 DBB 19 HG3 DBB 19 22.868 2.762 -2.593 116 H LYS 20 HN LYS 20 24.563 6.992 -3.643 117 HA LYS 20 HA LYS 20 24.496 8.061 -1.563 118 HB2 LYS 20 HB2 LYS 20 22.122 8.186 -2.965 119 HB3 LYS 20 HB1 LYS 20 21.598 7.672 -1.360 120 HG2 LYS 20 HG2 LYS 20 22.733 9.554 -0.327 121 HG3 LYS 20 HG1 LYS 20 23.437 10.023 -1.874 122 HD2 LYS 20 HD2 LYS 20 21.222 10.492 -2.786 123 HD3 LYS 20 HD1 LYS 20 20.463 9.928 -1.297 124 HE2 LYS 20 HE2 LYS 20 20.576 12.370 -1.278 125 HE3 LYS 20 HE1 LYS 20 21.661 11.721 -0.047 126 HZ1 LYS 20 HZ1 LYS 20 22.321 13.440 -2.091 127 HZ2 LYS 20 HZ2 LYS 20 22.978 11.942 -2.551 128 HZ3 LYS 20 HZ3 LYS 20 23.394 12.632 -1.055 129 H GLY 21 HN GLY 21 24.755 5.082 -1.425 130 HA2 GLY 21 HA2 GLY 21 23.638 4.723 1.294 131 HA3 GLY 21 HA1 GLY 21 23.650 3.418 0.114 132 H ARG 22 HN ARG 22 24.889 3.364 2.703 133 HA ARG 22 HA ARG 22 27.661 3.864 2.634 134 HB2 ARG 22 HB2 ARG 22 26.377 3.404 4.705 135 HB3 ARG 22 HB1 ARG 22 26.187 1.726 4.191 136 HG2 ARG 22 HG2 ARG 22 28.621 1.427 4.184 137 HG3 ARG 22 HG1 ARG 22 28.845 3.116 4.639 138 HD2 ARG 22 HD2 ARG 22 29.019 1.735 6.634 139 HD3 ARG 22 HD1 ARG 22 27.539 2.686 6.722 140 HE ARG 22 HE ARG 22 27.007 0.161 5.528 141 HH11 ARG 22 HH11 ARG 22 27.773 1.692 8.536 142 HH12 ARG 22 HH12 ARG 22 26.970 0.501 9.504 143 HH21 ARG 22 HH21 ARG 22 25.954 -1.405 6.793 144 HH22 ARG 22 HH22 ARG 22 25.941 -1.252 8.519 145 H GLY 23 HN GLY 23 25.774 0.973 1.805 146 HA2 GLY 23 HA2 GLY 23 28.073 -0.624 1.174 147 HA3 GLY 23 HA1 GLY 23 26.398 -1.016 0.801 148 HA PRO 24 HA PRO 24 28.673 1.176 -2.863 149 HB2 PRO 24 HB2 PRO 24 30.756 -0.396 -3.618 150 HB3 PRO 24 HB1 PRO 24 30.925 0.912 -2.430 151 HG2 PRO 24 HG2 PRO 24 30.674 -2.022 -1.989 152 HG3 PRO 24 HG1 PRO 24 31.701 -0.840 -1.162 153 HD2 PRO 24 HD2 PRO 24 29.333 -1.781 -0.121 154 HD3 PRO 24 HD1 PRO 24 30.022 -0.194 0.284 155 H GLY 25 HN GLY 25 28.419 0.585 -5.072 156 HA2 GLY 25 HA2 GLY 25 27.982 -0.947 -6.841 157 HA3 GLY 25 HA1 GLY 25 27.510 -2.152 -5.646 158 H GLY 26 HN GLY 26 26.093 -1.031 -8.053 159 HA2 GLY 26 HA2 GLY 26 23.913 -0.560 -8.639 160 HA3 GLY 26 HA1 GLY 26 23.467 -0.994 -6.989 161 H CYS 27 HN CYS 27 25.807 1.518 -7.620 162 HA CYS 27 HA CYS 27 23.916 3.464 -6.496 163 HB2 CYS 27 HB2 CYS 27 26.930 3.467 -6.689 164 HB3 CYS 27 HB1 CYS 27 25.988 4.833 -6.098 165 H TYR 28 HN TYR 28 23.559 5.449 -7.409 166 HA TYR 28 HA TYR 28 23.168 6.916 -9.118 167 HB2 TYR 28 HB2 TYR 28 25.921 5.966 -9.937 168 HB3 TYR 28 HB1 TYR 28 25.078 7.320 -10.687 169 HD1 TYR 28 HD1 TYR 28 27.757 7.396 -9.148 170 HD2 TYR 28 HD2 TYR 28 23.690 8.122 -7.964 171 HE1 TYR 28 HE1 TYR 28 28.549 8.897 -7.341 172 HE2 TYR 28 HE2 TYR 28 24.484 9.621 -6.157 173 HH TYR 28 HH TYR 28 26.763 9.797 -4.786 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 12.681 -9.709 1.687 2 H2 CYS 1 HT2 CYS 1 13.340 -9.556 0.128 3 H3 CYS 1 HT3 CYS 1 11.874 -8.790 0.513 4 HA CYS 1 HA CYS 1 13.148 -7.502 2.247 5 HB2 CYS 1 HB2 CYS 1 15.146 -8.838 2.366 6 HB3 CYS 1 HB1 CYS 1 15.392 -8.727 0.623 7 H CYS 2 HN CYS 2 13.541 -5.345 1.654 8 HA CYS 2 HA CYS 2 12.424 -4.526 -0.831 9 HB2 CYS 2 HB2 CYS 2 13.326 -3.286 1.621 10 HB3 CYS 2 HB1 CYS 2 13.879 -2.367 0.222 11 H ILE 3 HN ILE 3 15.524 -3.282 0.287 12 HA ILE 3 HA ILE 3 16.590 -3.615 -2.432 13 HB ILE 3 HB ILE 3 16.599 -1.364 -1.218 14 HG12 ILE 3 HG12 ILE 3 18.952 -0.882 -1.985 15 HG13 ILE 3 HG11 ILE 3 19.164 -2.613 -2.250 16 HG21 ILE 3 HG21 ILE 3 17.499 -1.325 0.844 17 HG22 ILE 3 HG22 ILE 3 19.065 -1.718 0.134 18 HG23 ILE 3 HG23 ILE 3 18.000 -3.010 0.690 19 HD11 ILE 3 HD11 ILE 3 17.590 -2.670 -3.993 20 HD12 ILE 3 HD12 ILE 3 18.415 -1.133 -4.261 21 HD13 ILE 3 HD13 ILE 3 16.833 -1.161 -3.482 22 H DBB 4 HN DBB 4 16.381 -5.669 -0.165 23 HA DBB 4 HA DBB 4 18.321 -7.406 -0.669 24 HB2 DBB 4 HB2 DBB 4 17.533 -8.438 1.177 25 HG1 DBB 4 HG1 DBB 4 18.421 -6.087 2.880 26 HG2 DBB 4 HG2 DBB 4 19.497 -7.398 2.401 27 HG3 DBB 4 HG3 DBB 4 18.101 -7.735 3.423 28 H GLY 5 HN GLY 5 18.792 -4.736 1.641 29 HA2 GLY 5 HA2 GLY 5 21.698 -5.173 1.537 30 HA3 GLY 5 HA1 GLY 5 21.071 -3.599 1.055 31 H GLU 6 HN GLU 6 22.473 -2.880 2.875 32 HA GLU 6 HA GLU 6 21.255 -3.330 5.520 33 HB2 GLU 6 HB2 GLU 6 23.323 -2.548 6.465 34 HB3 GLU 6 HB1 GLU 6 23.723 -3.726 5.216 35 HG2 GLU 6 HG2 GLU 6 24.094 -1.873 3.609 36 HG3 GLU 6 HG1 GLU 6 23.754 -0.713 4.890 37 H SER 7 HN SER 7 21.167 -1.197 2.983 38 HA SER 7 HA SER 7 21.287 1.336 4.166 39 HB2 SER 7 HB2 SER 7 19.210 0.997 2.107 40 HB3 SER 7 HB1 SER 7 20.595 2.085 2.146 41 HG SER 7 HG SER 7 20.350 -0.486 1.139 42 HA PRO 8 HA PRO 8 17.574 2.258 6.345 43 HB2 PRO 8 HB2 PRO 8 16.226 3.519 4.002 44 HB3 PRO 8 HB1 PRO 8 16.544 4.186 5.614 45 HG2 PRO 8 HG2 PRO 8 17.958 4.942 3.486 46 HG3 PRO 8 HG1 PRO 8 18.694 4.787 5.091 47 HD2 PRO 8 HD2 PRO 8 18.953 2.987 2.720 48 HD3 PRO 8 HD1 PRO 8 20.132 3.345 4.002 49 H GLY 9 HN GLY 9 16.873 1.130 3.054 50 HA2 GLY 9 HA2 GLY 9 15.741 -0.951 2.657 51 HA3 GLY 9 HA1 GLY 9 14.866 -0.721 4.167 52 H DAL 10 HN DAL 10 13.514 -1.349 1.849 53 HA DAL 10 HA DAL 10 11.311 0.079 1.687 54 HB1 DAL 10 HB2 DAL 10 12.890 -0.812 -0.735 55 HB2 DAL 10 HB3 DAL 10 11.194 -0.327 -0.774 56 H ALA 11 HN ALA 11 14.234 1.089 -0.097 57 HA ALA 11 HA ALA 11 13.144 3.831 -0.089 58 HB1 ALA 11 HB1 ALA 11 15.275 4.677 0.260 59 HB2 ALA 11 HB2 ALA 11 16.063 3.259 -0.432 60 HB3 ALA 11 HB3 ALA 11 15.359 3.177 1.183 61 HA PRO 12 HA PRO 12 13.368 2.278 -4.490 62 HB2 PRO 12 HB2 PRO 12 11.059 3.657 -5.197 63 HB3 PRO 12 HB1 PRO 12 11.108 1.959 -4.685 64 HG2 PRO 12 HG2 PRO 12 10.404 4.389 -3.121 65 HG3 PRO 12 HG1 PRO 12 9.702 2.763 -3.068 66 HD2 PRO 12 HD2 PRO 12 11.426 3.626 -1.163 67 HD3 PRO 12 HD1 PRO 12 11.385 1.929 -1.691 68 H DBB 13 HN DBB 13 14.081 3.497 -6.262 69 HA DBB 13 HA DBB 13 13.815 6.217 -6.706 70 HB2 DBB 13 HB2 DBB 13 14.816 4.819 -8.375 71 HG1 DBB 13 HG1 DBB 13 17.326 4.098 -7.678 72 HG2 DBB 13 HG2 DBB 13 15.915 3.068 -7.439 73 HG3 DBB 13 HG3 DBB 13 16.537 4.035 -6.103 74 H ASN 14 HN ASN 14 15.692 4.488 -4.389 75 HA ASN 14 HA ASN 14 17.111 6.926 -3.534 76 HB2 ASN 14 HB2 ASN 14 14.841 6.219 -2.297 77 HB3 ASN 14 HB1 ASN 14 15.959 5.169 -1.426 78 HD21 ASN 14 HD21 ASN 14 16.085 8.579 -2.648 79 HD22 ASN 14 HD22 ASN 14 16.664 9.227 -1.183 80 H ASP 15 HN ASP 15 18.242 4.813 -4.960 81 HA ASP 15 HA ASP 15 20.473 4.165 -3.412 82 HB2 ASP 15 HB2 ASP 15 18.884 2.755 -2.135 83 HB3 ASP 15 HB1 ASP 15 18.516 1.864 -3.611 84 H TYR 16 HN TYR 16 19.704 1.293 -4.881 85 HA TYR 16 HA TYR 16 21.182 0.490 -6.631 86 HB2 TYR 16 HB2 TYR 16 18.422 1.002 -7.057 87 HB3 TYR 16 HB1 TYR 16 19.264 1.360 -8.564 88 HD1 TYR 16 HD1 TYR 16 17.984 -1.227 -6.447 89 HD2 TYR 16 HD2 TYR 16 20.987 -0.386 -9.403 90 HE1 TYR 16 HE1 TYR 16 18.231 -3.656 -6.888 91 HE2 TYR 16 HE2 TYR 16 21.233 -2.813 -9.843 92 HH TYR 16 HH TYR 16 20.375 -4.846 -9.459 93 H LYS 17 HN LYS 17 19.575 3.129 -8.333 94 HA LYS 17 HA LYS 17 22.179 4.393 -8.857 95 HB2 LYS 17 HB2 LYS 17 20.207 3.471 -10.955 96 HB3 LYS 17 HB1 LYS 17 21.521 4.605 -11.277 97 HG2 LYS 17 HG2 LYS 17 23.165 2.943 -10.524 98 HG3 LYS 17 HG1 LYS 17 21.866 1.809 -10.148 99 HD2 LYS 17 HD2 LYS 17 21.176 1.848 -12.537 100 HD3 LYS 17 HD1 LYS 17 22.535 2.917 -12.893 101 HE2 LYS 17 HE2 LYS 17 22.758 0.130 -11.715 102 HE3 LYS 17 HE1 LYS 17 23.100 0.560 -13.390 103 HZ1 LYS 17 HZ1 LYS 17 24.937 0.534 -11.459 104 HZ2 LYS 17 HZ2 LYS 17 24.451 2.161 -11.388 105 HZ3 LYS 17 HZ3 LYS 17 25.042 1.511 -12.842 106 H CYS 18 HN CYS 18 19.845 5.080 -7.198 107 HA CYS 18 HA CYS 18 18.784 7.437 -8.609 108 HB2 CYS 18 HB2 CYS 18 17.794 5.660 -6.495 109 HB3 CYS 18 HB1 CYS 18 17.512 7.370 -6.192 110 H DBB 19 HN DBB 19 19.639 6.734 -5.228 111 HA DBB 19 HA DBB 19 20.244 9.401 -4.562 112 HB2 DBB 19 HB2 DBB 19 22.867 8.454 -4.330 113 HG1 DBB 19 HG1 DBB 19 22.022 10.771 -4.841 114 HG2 DBB 19 HG2 DBB 19 21.720 10.240 -6.495 115 HG3 DBB 19 HG3 DBB 19 23.367 10.265 -5.865 116 H LYS 20 HN LYS 20 22.533 6.973 -3.608 117 HA LYS 20 HA LYS 20 22.287 7.153 -0.915 118 HB2 LYS 20 HB2 LYS 20 19.983 5.735 -2.023 119 HB3 LYS 20 HB1 LYS 20 20.845 4.806 -0.797 120 HG2 LYS 20 HG2 LYS 20 20.799 6.944 0.625 121 HG3 LYS 20 HG1 LYS 20 19.607 7.546 -0.525 122 HD2 LYS 20 HD2 LYS 20 18.140 5.656 -0.064 123 HD3 LYS 20 HD1 LYS 20 19.346 4.948 1.011 124 HE2 LYS 20 HE2 LYS 20 18.176 7.703 1.451 125 HE3 LYS 20 HE1 LYS 20 17.480 6.247 2.159 126 HZ1 LYS 20 HZ1 LYS 20 19.849 5.819 2.986 127 HZ2 LYS 20 HZ2 LYS 20 18.929 7.008 3.779 128 HZ3 LYS 20 HZ3 LYS 20 20.123 7.460 2.657 129 H GLY 21 HN GLY 21 21.658 3.964 -2.092 130 HA2 GLY 21 HA2 GLY 21 23.555 2.636 -3.099 131 HA3 GLY 21 HA1 GLY 21 24.526 3.307 -1.791 132 H ARG 22 HN ARG 22 23.095 0.563 -2.700 133 HA ARG 22 HA ARG 22 21.589 -0.281 -0.464 134 HB2 ARG 22 HB2 ARG 22 21.582 -1.440 -2.654 135 HB3 ARG 22 HB1 ARG 22 23.237 -1.973 -2.358 136 HG2 ARG 22 HG2 ARG 22 22.507 -3.170 -0.337 137 HG3 ARG 22 HG1 ARG 22 20.853 -2.618 -0.597 138 HD2 ARG 22 HD2 ARG 22 21.070 -4.879 -1.466 139 HD3 ARG 22 HD1 ARG 22 20.860 -3.764 -2.814 140 HE ARG 22 HE ARG 22 23.625 -4.127 -2.302 141 HH11 ARG 22 HH11 ARG 22 20.822 -5.743 -3.528 142 HH12 ARG 22 HH12 ARG 22 21.712 -6.770 -4.599 143 HH21 ARG 22 HH21 ARG 22 24.801 -5.473 -3.703 144 HH22 ARG 22 HH22 ARG 22 23.967 -6.618 -4.699 145 H GLY 23 HN GLY 23 25.040 -0.572 -1.240 146 HA2 GLY 23 HA2 GLY 23 25.581 -1.023 1.617 147 HA3 GLY 23 HA1 GLY 23 26.229 -2.164 0.445 148 HA PRO 24 HA PRO 24 29.868 0.423 0.705 149 HB2 PRO 24 HB2 PRO 24 30.512 -1.047 -1.808 150 HB3 PRO 24 HB1 PRO 24 31.479 -0.852 -0.336 151 HG2 PRO 24 HG2 PRO 24 30.259 -3.148 -0.904 152 HG3 PRO 24 HG1 PRO 24 30.408 -2.558 0.760 153 HD2 PRO 24 HD2 PRO 24 28.005 -2.596 -1.017 154 HD3 PRO 24 HD1 PRO 24 28.105 -2.760 0.750 155 H GLY 25 HN GLY 25 28.100 -0.108 -2.328 156 HA2 GLY 25 HA2 GLY 25 27.909 2.687 -2.885 157 HA3 GLY 25 HA1 GLY 25 29.116 1.920 -3.910 158 H GLY 26 HN GLY 26 26.069 2.934 -3.984 159 HA2 GLY 26 HA2 GLY 26 25.251 0.836 -5.900 160 HA3 GLY 26 HA1 GLY 26 24.114 1.441 -4.698 161 H CYS 27 HN CYS 27 23.907 3.907 -4.684 162 HA CYS 27 HA CYS 27 22.993 4.751 -7.232 163 HB2 CYS 27 HB2 CYS 27 21.984 5.596 -5.183 164 HB3 CYS 27 HB1 CYS 27 23.519 6.331 -4.717 165 H TYR 28 HN TYR 28 24.591 7.353 -5.827 166 HA TYR 28 HA TYR 28 27.181 7.166 -6.858 167 HB2 TYR 28 HB2 TYR 28 27.075 8.317 -8.938 168 HB3 TYR 28 HB1 TYR 28 25.829 7.071 -9.020 169 HD1 TYR 28 HD1 TYR 28 26.519 10.640 -8.931 170 HD2 TYR 28 HD2 TYR 28 23.419 7.677 -8.619 171 HE1 TYR 28 HE1 TYR 28 24.805 12.393 -9.288 172 HE2 TYR 28 HE2 TYR 28 21.710 9.434 -8.978 173 HH TYR 28 HH TYR 28 21.428 11.593 -9.766 Start of MODEL 20 1 H1 CYS 1 HT1 CYS 1 13.379 -7.557 3.760 2 H2 CYS 1 HT2 CYS 1 12.782 -7.130 2.227 3 H3 CYS 1 HT3 CYS 1 12.903 -5.959 3.451 4 HA CYS 1 HA CYS 1 15.060 -5.577 3.084 5 HB2 CYS 1 HB2 CYS 1 16.263 -7.349 3.822 6 HB3 CYS 1 HB1 CYS 1 15.076 -8.504 3.237 7 H CYS 2 HN CYS 2 14.882 -4.282 1.310 8 HA CYS 2 HA CYS 2 14.073 -5.216 -1.274 9 HB2 CYS 2 HB2 CYS 2 14.909 -2.672 -0.057 10 HB3 CYS 2 HB1 CYS 2 15.378 -2.852 -1.749 11 H ILE 3 HN ILE 3 17.107 -3.515 -0.630 12 HA ILE 3 HA ILE 3 18.526 -4.850 -2.694 13 HB ILE 3 HB ILE 3 19.329 -3.078 -0.402 14 HG12 ILE 3 HG12 ILE 3 19.796 -1.508 -2.136 15 HG13 ILE 3 HG11 ILE 3 19.757 -2.760 -3.377 16 HG21 ILE 3 HG21 ILE 3 21.050 -4.798 -2.153 17 HG22 ILE 3 HG22 ILE 3 21.267 -4.359 -0.459 18 HG23 ILE 3 HG23 ILE 3 21.623 -3.186 -1.726 19 HD11 ILE 3 HD11 ILE 3 17.395 -3.005 -3.208 20 HD12 ILE 3 HD12 ILE 3 17.679 -1.264 -3.204 21 HD13 ILE 3 HD13 ILE 3 17.335 -2.104 -1.692 22 H DBB 4 HN DBB 4 18.370 -5.270 0.817 23 HA DBB 4 HA DBB 4 19.356 -8.004 0.511 24 HB2 DBB 4 HB2 DBB 4 18.708 -8.172 2.950 25 HG1 DBB 4 HG1 DBB 4 17.986 -6.361 4.123 26 HG2 DBB 4 HG2 DBB 4 17.086 -5.715 2.751 27 HG3 DBB 4 HG3 DBB 4 18.822 -5.430 2.880 28 H GLY 5 HN GLY 5 20.342 -4.898 1.690 29 HA2 GLY 5 HA2 GLY 5 22.788 -6.071 2.862 30 HA3 GLY 5 HA1 GLY 5 22.891 -4.771 1.679 31 H GLU 6 HN GLU 6 22.851 -2.722 2.397 32 HA GLU 6 HA GLU 6 22.198 -2.299 5.241 33 HB2 GLU 6 HB2 GLU 6 24.499 -1.722 4.598 34 HB3 GLU 6 HB1 GLU 6 23.879 -0.622 3.366 35 HG2 GLU 6 HG2 GLU 6 24.422 0.686 5.328 36 HG3 GLU 6 HG1 GLU 6 22.668 0.622 5.181 37 H SER 7 HN SER 7 21.053 -1.773 2.119 38 HA SER 7 HA SER 7 19.897 0.778 2.314 39 HB2 SER 7 HB2 SER 7 18.538 -1.449 0.836 40 HB3 SER 7 HB1 SER 7 18.704 0.246 0.388 41 HG SER 7 HG SER 7 21.094 -0.381 0.443 42 HA PRO 8 HA PRO 8 16.948 0.149 5.580 43 HB2 PRO 8 HB2 PRO 8 15.555 2.383 4.177 44 HB3 PRO 8 HB1 PRO 8 16.040 2.247 5.878 45 HG2 PRO 8 HG2 PRO 8 17.362 3.803 4.165 46 HG3 PRO 8 HG1 PRO 8 18.193 2.920 5.457 47 HD2 PRO 8 HD2 PRO 8 18.131 2.346 2.526 48 HD3 PRO 8 HD1 PRO 8 19.421 2.044 3.710 49 H GLY 9 HN GLY 9 15.888 0.677 2.231 50 HA2 GLY 9 HA2 GLY 9 14.301 -1.642 2.089 51 HA3 GLY 9 HA1 GLY 9 13.257 -0.275 2.468 52 H DAL 10 HN DAL 10 12.329 -0.912 0.324 53 HA DAL 10 HA DAL 10 11.918 0.138 -1.756 54 HB1 DAL 10 HB2 DAL 10 14.379 -1.282 -2.649 55 HB2 DAL 10 HB3 DAL 10 12.747 -1.327 -3.317 56 H ALA 11 HN ALA 11 13.173 2.085 -0.316 57 HA ALA 11 HA ALA 11 14.183 4.108 -0.743 58 HB1 ALA 11 HB1 ALA 11 16.400 2.137 -1.332 59 HB2 ALA 11 HB2 ALA 11 16.041 2.900 0.217 60 HB3 ALA 11 HB3 ALA 11 16.643 3.873 -1.125 61 HA PRO 12 HA PRO 12 13.548 3.513 -5.397 62 HB2 PRO 12 HB2 PRO 12 11.614 5.530 -5.438 63 HB3 PRO 12 HB1 PRO 12 11.288 3.788 -5.418 64 HG2 PRO 12 HG2 PRO 12 11.235 5.752 -3.193 65 HG3 PRO 12 HG1 PRO 12 10.224 4.322 -3.469 66 HD2 PRO 12 HD2 PRO 12 12.227 4.330 -1.634 67 HD3 PRO 12 HD1 PRO 12 11.793 2.866 -2.549 68 H DBB 13 HN DBB 13 14.663 4.755 -6.821 69 HA DBB 13 HA DBB 13 14.932 7.473 -7.004 70 HB2 DBB 13 HB2 DBB 13 15.963 6.268 -8.735 71 HG1 DBB 13 HG1 DBB 13 18.029 4.725 -7.748 72 HG2 DBB 13 HG2 DBB 13 16.443 4.116 -8.213 73 HG3 DBB 13 HG3 DBB 13 16.774 4.516 -6.527 74 H ASN 14 HN ASN 14 16.117 5.305 -4.648 75 HA ASN 14 HA ASN 14 17.832 7.351 -3.405 76 HB2 ASN 14 HB2 ASN 14 15.487 7.407 -2.459 77 HB3 ASN 14 HB1 ASN 14 15.751 5.754 -1.882 78 HD21 ASN 14 HD21 ASN 14 15.743 6.359 0.383 79 HD22 ASN 14 HD22 ASN 14 16.995 7.285 1.071 80 H ASP 15 HN ASP 15 17.973 4.560 -4.780 81 HA ASP 15 HA ASP 15 20.238 3.599 -3.473 82 HB2 ASP 15 HB2 ASP 15 18.515 3.154 -1.649 83 HB3 ASP 15 HB1 ASP 15 17.820 1.949 -2.728 84 H TYR 16 HN TYR 16 20.663 1.209 -4.069 85 HA TYR 16 HA TYR 16 21.083 -0.226 -5.822 86 HB2 TYR 16 HB2 TYR 16 19.138 -1.320 -6.705 87 HB3 TYR 16 HB1 TYR 16 18.795 -0.917 -5.023 88 HD1 TYR 16 HD1 TYR 16 18.318 0.277 -8.528 89 HD2 TYR 16 HD2 TYR 16 16.970 0.481 -4.452 90 HE1 TYR 16 HE1 TYR 16 16.340 1.588 -9.246 91 HE2 TYR 16 HE2 TYR 16 14.994 1.795 -5.171 92 HH TYR 16 HH TYR 16 14.512 2.660 -8.599 93 H LYS 17 HN LYS 17 20.649 2.859 -6.351 94 HA LYS 17 HA LYS 17 21.768 3.257 -8.712 95 HB2 LYS 17 HB2 LYS 17 19.148 1.987 -9.174 96 HB3 LYS 17 HB1 LYS 17 19.456 3.418 -10.154 97 HG2 LYS 17 HG2 LYS 17 21.535 2.483 -10.974 98 HG3 LYS 17 HG1 LYS 17 21.403 1.110 -9.881 99 HD2 LYS 17 HD2 LYS 17 19.305 0.428 -11.023 100 HD3 LYS 17 HD1 LYS 17 19.501 1.774 -12.147 101 HE2 LYS 17 HE2 LYS 17 21.639 0.849 -12.918 102 HE3 LYS 17 HE1 LYS 17 21.500 -0.472 -11.758 103 HZ1 LYS 17 HZ1 LYS 17 20.496 -0.395 -14.328 104 HZ2 LYS 17 HZ2 LYS 17 19.142 -0.262 -13.310 105 HZ3 LYS 17 HZ3 LYS 17 20.203 -1.579 -13.148 106 H CYS 18 HN CYS 18 21.253 4.719 -6.442 107 HA CYS 18 HA CYS 18 20.534 7.245 -7.530 108 HB2 CYS 18 HB2 CYS 18 18.442 5.694 -6.166 109 HB3 CYS 18 HB1 CYS 18 18.631 7.338 -5.584 110 H DBB 19 HN DBB 19 22.566 7.732 -6.631 111 HA DBB 19 HA DBB 19 22.681 9.072 -4.269 112 HB2 DBB 19 HB2 DBB 19 25.216 8.064 -4.347 113 HG1 DBB 19 HG1 DBB 19 25.757 10.048 -5.629 114 HG2 DBB 19 HG2 DBB 19 24.419 10.446 -4.550 115 HG3 DBB 19 HG3 DBB 19 24.113 10.141 -6.259 116 H LYS 20 HN LYS 20 22.383 5.682 -4.596 117 HA LYS 20 HA LYS 20 23.558 5.024 -2.036 118 HB2 LYS 20 HB2 LYS 20 20.556 5.121 -2.376 119 HB3 LYS 20 HB1 LYS 20 21.368 4.271 -1.063 120 HG2 LYS 20 HG2 LYS 20 22.460 6.389 -0.387 121 HG3 LYS 20 HG1 LYS 20 21.604 7.232 -1.673 122 HD2 LYS 20 HD2 LYS 20 19.449 6.613 -0.666 123 HD3 LYS 20 HD1 LYS 20 20.290 5.739 0.615 124 HE2 LYS 20 HE2 LYS 20 21.389 7.843 1.315 125 HE3 LYS 20 HE1 LYS 20 20.519 8.709 0.049 126 HZ1 LYS 20 HZ1 LYS 20 19.579 8.600 2.458 127 HZ2 LYS 20 HZ2 LYS 20 19.000 7.082 1.960 128 HZ3 LYS 20 HZ3 LYS 20 18.533 8.487 1.126 129 H GLY 21 HN GLY 21 23.568 2.767 -1.617 130 HA2 GLY 21 HA2 GLY 21 22.350 0.939 -3.511 131 HA3 GLY 21 HA1 GLY 21 24.104 1.048 -3.631 132 H ARG 22 HN ARG 22 24.621 -0.970 -2.879 133 HA ARG 22 HA ARG 22 23.436 -2.281 -0.690 134 HB2 ARG 22 HB2 ARG 22 26.170 -2.542 -1.955 135 HB3 ARG 22 HB1 ARG 22 25.584 -3.616 -0.683 136 HG2 ARG 22 HG2 ARG 22 23.658 -4.244 -2.071 137 HG3 ARG 22 HG1 ARG 22 24.202 -3.145 -3.339 138 HD2 ARG 22 HD2 ARG 22 26.281 -4.426 -3.583 139 HD3 ARG 22 HD1 ARG 22 25.777 -5.510 -2.290 140 HE ARG 22 HE ARG 22 24.748 -5.459 -5.019 141 HH11 ARG 22 HH11 ARG 22 24.402 -6.509 -1.738 142 HH12 ARG 22 HH12 ARG 22 23.371 -7.843 -2.128 143 HH21 ARG 22 HH21 ARG 22 23.396 -7.210 -5.538 144 HH22 ARG 22 HH22 ARG 22 22.801 -8.241 -4.280 145 H GLY 23 HN GLY 23 26.284 -0.171 -0.889 146 HA2 GLY 23 HA2 GLY 23 26.008 0.956 1.641 147 HA3 GLY 23 HA1 GLY 23 27.067 -0.438 1.827 148 HA PRO 24 HA PRO 24 30.532 1.823 0.400 149 HB2 PRO 24 HB2 PRO 24 31.727 0.146 -1.415 150 HB3 PRO 24 HB1 PRO 24 31.777 -0.104 0.340 151 HG2 PRO 24 HG2 PRO 24 30.052 -1.400 -1.707 152 HG3 PRO 24 HG1 PRO 24 30.829 -2.099 -0.275 153 HD2 PRO 24 HD2 PRO 24 28.177 -1.436 -0.341 154 HD3 PRO 24 HD1 PRO 24 29.143 -1.393 1.151 155 H GLY 25 HN GLY 25 28.245 0.758 -1.969 156 HA2 GLY 25 HA2 GLY 25 28.498 3.170 -3.494 157 HA3 GLY 25 HA1 GLY 25 29.158 1.784 -4.357 158 H GLY 26 HN GLY 26 27.631 1.562 -5.941 159 HA2 GLY 26 HA2 GLY 26 25.717 0.489 -6.756 160 HA3 GLY 26 HA1 GLY 26 25.063 0.460 -5.122 161 H CYS 27 HN CYS 27 26.309 3.492 -6.022 162 HA CYS 27 HA CYS 27 23.620 4.610 -6.117 163 HB2 CYS 27 HB2 CYS 27 25.030 5.904 -4.770 164 HB3 CYS 27 HB1 CYS 27 26.384 5.765 -5.890 165 H TYR 28 HN TYR 28 22.602 5.273 -7.901 166 HA TYR 28 HA TYR 28 22.140 5.573 -10.130 167 HB2 TYR 28 HB2 TYR 28 24.741 6.947 -9.673 168 HB3 TYR 28 HB1 TYR 28 24.223 6.720 -11.345 169 HD1 TYR 28 HD1 TYR 28 23.261 8.165 -8.063 170 HD2 TYR 28 HD2 TYR 28 22.384 7.958 -12.263 171 HE1 TYR 28 HE1 TYR 28 21.686 10.065 -7.828 172 HE2 TYR 28 HE2 TYR 28 20.807 9.857 -12.026 173 HH TYR 28 HH TYR 28 20.757 11.953 -9.942
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