NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642741 | 6mm4 | 30525 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.870 -0.268 0.652 2 H2 GLY 1 H2 GLY 1 2.617 1.033 1.226 3 H3 GLY 1 H3 GLY 1 2.201 0.978 -0.366 4 HA2 GLY 1 HA2 GLY 1 4.074 -0.857 0.864 5 HA3 GLY 1 HA3 GLY 1 3.676 -0.674 -0.843 6 H CYS 2 H CYS 2 6.195 -0.415 -0.826 7 HA CYS 2 HA CYS 2 7.256 2.083 0.072 8 HB2 CYS 2 HB2 CYS 2 8.162 0.075 -2.023 9 HB3 CYS 2 HB3 CYS 2 9.187 1.392 -1.406 10 HA PRO 3 HA PRO 3 6.120 4.663 -3.135 11 HB2 PRO 3 HB2 PRO 3 8.117 6.394 -3.670 12 HB3 PRO 3 HB3 PRO 3 7.199 6.371 -2.134 13 HG2 PRO 3 HG2 PRO 3 9.911 5.157 -2.686 14 HG3 PRO 3 HG3 PRO 3 9.354 6.256 -1.360 15 HD2 PRO 3 HD2 PRO 3 9.511 3.507 -1.099 16 HD3 PRO 3 HD3 PRO 3 8.307 4.522 -0.249 17 H ARG 4 H ARG 4 5.660 3.922 -5.003 18 HA ARG 4 HA ARG 4 5.835 2.588 -6.856 19 HB2 ARG 4 HB2 ARG 4 7.408 5.092 -7.695 20 HB3 ARG 4 HB3 ARG 4 6.569 3.966 -8.747 21 HG2 ARG 4 HG2 ARG 4 4.435 4.635 -7.821 22 HG3 ARG 4 HG3 ARG 4 5.299 5.693 -6.657 23 HD2 ARG 4 HD2 ARG 4 6.234 7.022 -8.545 24 HD3 ARG 4 HD3 ARG 4 5.424 5.948 -9.704 25 HE ARG 4 HE ARG 4 4.203 8.048 -7.919 26 HH11 ARG 4 HH11 ARG 4 3.652 5.609 -10.368 27 HH12 ARG 4 HH12 ARG 4 2.043 6.182 -10.739 28 HH21 ARG 4 HH21 ARG 4 2.140 8.652 -8.356 29 HH22 ARG 4 HH22 ARG 4 1.174 7.887 -9.580 30 HA PRO 5 HA PRO 5 10.130 0.944 -6.686 31 HB2 PRO 5 HB2 PRO 5 9.596 -1.682 -6.165 32 HB3 PRO 5 HB3 PRO 5 9.501 -0.453 -4.871 33 HG2 PRO 5 HG2 PRO 5 7.241 -1.574 -6.528 34 HG3 PRO 5 HG3 PRO 5 7.396 -1.473 -4.730 35 HD2 PRO 5 HD2 PRO 5 6.060 0.378 -6.132 36 HD3 PRO 5 HD3 PRO 5 6.998 0.796 -4.687 37 H ARG 6 H ARG 6 11.085 -0.834 -8.229 38 HA ARG 6 HA ARG 6 9.297 -1.599 -10.479 39 HB2 ARG 6 HB2 ARG 6 11.696 0.187 -10.792 40 HB3 ARG 6 HB3 ARG 6 11.174 -0.901 -12.085 41 HG2 ARG 6 HG2 ARG 6 9.458 1.253 -10.889 42 HG3 ARG 6 HG3 ARG 6 10.334 1.382 -12.437 43 HD2 ARG 6 HD2 ARG 6 9.130 -0.762 -13.175 44 HD3 ARG 6 HD3 ARG 6 8.042 -0.511 -11.766 45 HE ARG 6 HE ARG 6 8.271 1.903 -13.347 46 HH11 ARG 6 HH11 ARG 6 6.710 -1.283 -13.321 47 HH12 ARG 6 HH12 ARG 6 5.344 -0.764 -14.309 48 HH21 ARG 6 HH21 ARG 6 6.615 2.470 -14.644 49 HH22 ARG 6 HH22 ARG 6 5.344 1.330 -15.066 50 H GLY 7 H GLY 7 10.236 -3.344 -11.697 51 HA2 GLY 7 HA2 GLY 7 12.059 -4.920 -10.037 52 HA3 GLY 7 HA3 GLY 7 11.214 -5.425 -11.509 53 H ASP 8 H ASP 8 12.710 -2.430 -11.885 54 HA ASP 8 HA ASP 8 14.898 -3.511 -13.524 55 HB2 ASP 8 HB2 ASP 8 13.851 -0.707 -12.946 56 HB3 ASP 8 HB3 ASP 8 15.372 -0.997 -13.820 57 H ASN 9 H ASN 9 14.228 -2.930 -10.331 58 HA ASN 9 HA ASN 9 17.089 -2.244 -9.671 59 HB2 ASN 9 HB2 ASN 9 14.512 -1.426 -8.232 60 HB3 ASN 9 HB3 ASN 9 16.158 -1.167 -7.608 61 HD21 ASN 9 HD21 ASN 9 13.706 0.532 -8.775 62 HD22 ASN 9 HD22 ASN 9 14.540 1.720 -9.785 63 HA PRO 10 HA PRO 10 16.788 -6.041 -7.331 64 HB2 PRO 10 HB2 PRO 10 18.850 -5.772 -5.603 65 HB3 PRO 10 HB3 PRO 10 19.117 -5.995 -7.344 66 HG2 PRO 10 HG2 PRO 10 19.224 -3.411 -5.794 67 HG3 PRO 10 HG3 PRO 10 20.299 -4.061 -7.051 68 HD2 PRO 10 HD2 PRO 10 18.361 -2.250 -7.609 69 HD3 PRO 10 HD3 PRO 10 18.888 -3.525 -8.765 70 HA PRO 11 HA PRO 11 14.673 -4.829 -3.604 71 HB2 PRO 11 HB2 PRO 11 14.711 -7.080 -2.071 72 HB3 PRO 11 HB3 PRO 11 13.730 -6.986 -3.565 73 HG2 PRO 11 HG2 PRO 11 16.456 -8.151 -3.149 74 HG3 PRO 11 HG3 PRO 11 15.035 -8.933 -3.962 75 HD2 PRO 11 HD2 PRO 11 16.984 -7.709 -5.373 76 HD3 PRO 11 HD3 PRO 11 15.295 -7.685 -5.936 77 H LEU 12 H LEU 12 15.201 -4.051 -1.534 78 HA LEU 12 HA LEU 12 18.105 -4.128 -0.866 79 HB2 LEU 12 HB2 LEU 12 17.655 -2.271 0.594 80 HB3 LEU 12 HB3 LEU 12 16.974 -1.921 -0.985 81 HG LEU 12 HG LEU 12 14.976 -3.003 0.812 82 HD11 LEU 12 HD11 LEU 12 16.152 -2.025 2.577 83 HD12 LEU 12 HD12 LEU 12 14.827 -0.911 2.184 84 HD13 LEU 12 HD13 LEU 12 16.508 -0.529 1.658 85 HD21 LEU 12 HD21 LEU 12 13.699 -1.107 -0.024 86 HD22 LEU 12 HD22 LEU 12 14.525 -1.950 -1.341 87 HD23 LEU 12 HD23 LEU 12 15.163 -0.379 -0.722 88 H THR 13 H THR 13 18.872 -4.714 1.195 89 HA THR 13 HA THR 13 17.294 -6.795 2.439 90 HB THR 13 HB THR 13 19.188 -6.765 4.082 91 HG1 THR 13 HG1 THR 13 20.129 -4.839 3.973 92 HG21 THR 13 HG21 THR 13 20.089 -6.924 1.210 93 HG22 THR 13 HG22 THR 13 19.015 -8.106 1.961 94 HG23 THR 13 HG23 THR 13 20.628 -7.861 2.600 95 H CYS 14 H CYS 14 16.854 -6.970 4.709 96 HA CYS 14 HA CYS 14 17.053 -4.506 6.341 97 HB2 CYS 14 HB2 CYS 14 14.634 -4.539 6.939 98 HB3 CYS 14 HB3 CYS 14 14.797 -4.286 5.175 99 H SER 15 H SER 15 16.282 -5.108 8.682 100 HA SER 15 HA SER 15 16.207 -8.032 9.136 101 HB2 SER 15 HB2 SER 15 18.263 -7.987 9.998 102 HB3 SER 15 HB3 SER 15 18.356 -6.231 9.926 103 HG SER 15 HG SER 15 18.407 -6.869 12.079 104 H GLN 16 H GLN 16 15.381 -4.753 9.882 105 HA GLN 16 HA GLN 16 13.229 -5.785 11.673 106 HB2 GLN 16 HB2 GLN 16 13.415 -3.651 12.961 107 HB3 GLN 16 HB3 GLN 16 14.766 -4.765 13.155 108 HG2 GLN 16 HG2 GLN 16 16.108 -3.410 11.583 109 HG3 GLN 16 HG3 GLN 16 14.785 -2.260 11.361 110 HE21 GLN 16 HE21 GLN 16 16.944 -1.060 12.132 111 HE22 GLN 16 HE22 GLN 16 16.938 -0.637 13.881 112 H ASP 17 H ASP 17 11.368 -4.188 11.647 113 HA ASP 17 HA ASP 17 10.638 -3.273 9.067 114 HB2 ASP 17 HB2 ASP 17 9.203 -4.053 10.962 115 HB3 ASP 17 HB3 ASP 17 9.638 -2.560 11.825 116 H SER 18 H SER 18 12.301 -1.682 11.760 117 HA SER 18 HA SER 18 11.833 1.024 10.794 118 HB2 SER 18 HB2 SER 18 14.291 0.694 12.304 119 HB3 SER 18 HB3 SER 18 12.770 1.486 12.771 120 HG SER 18 HG SER 18 13.591 -0.527 13.956 121 H ASP 19 H ASP 19 13.885 -1.428 9.469 122 HA ASP 19 HA ASP 19 16.096 0.308 8.774 123 HB2 ASP 19 HB2 ASP 19 15.197 -2.398 7.763 124 HB3 ASP 19 HB3 ASP 19 16.686 -1.572 7.147 125 H CYS 20 H CYS 20 12.962 -0.129 7.594 126 HA CYS 20 HA CYS 20 13.719 0.822 4.822 127 HB2 CYS 20 HB2 CYS 20 11.126 -0.382 5.811 128 HB3 CYS 20 HB3 CYS 20 11.553 0.054 4.172 129 H LEU 21 H LEU 21 11.777 1.999 3.744 130 HA LEU 21 HA LEU 21 11.406 4.514 5.162 131 HB2 LEU 21 HB2 LEU 21 10.457 3.515 2.507 132 HB3 LEU 21 HB3 LEU 21 10.196 5.166 3.090 133 HG LEU 21 HG LEU 21 12.926 3.975 2.402 134 HD11 LEU 21 HD11 LEU 21 11.189 6.015 0.892 135 HD12 LEU 21 HD12 LEU 21 11.450 4.344 0.380 136 HD13 LEU 21 HD13 LEU 21 12.823 5.436 0.411 137 HD21 LEU 21 HD21 LEU 21 13.723 6.272 2.585 138 HD22 LEU 21 HD22 LEU 21 13.025 5.710 4.132 139 HD23 LEU 21 HD23 LEU 21 12.104 6.831 3.060 140 H ALA 22 H ALA 22 9.231 5.445 5.429 141 HA ALA 22 HA ALA 22 7.383 3.695 6.754 142 HB1 ALA 22 HB1 ALA 22 6.834 6.511 5.480 143 HB2 ALA 22 HB2 ALA 22 5.796 5.695 6.673 144 HB3 ALA 22 HB3 ALA 22 7.415 6.249 7.111 145 H GLY 23 H GLY 23 5.488 2.624 5.980 146 HA2 GLY 23 HA2 GLY 23 3.886 2.024 4.250 147 HA3 GLY 23 HA3 GLY 23 4.961 2.703 3.046 148 H CYS 24 H CYS 24 7.301 1.256 4.444 149 HA CYS 24 HA CYS 24 7.019 -1.201 2.796 150 HB2 CYS 24 HB2 CYS 24 9.403 0.180 4.068 151 HB3 CYS 24 HB3 CYS 24 9.492 -1.227 2.985 152 H VAL 25 H VAL 25 7.894 -3.193 3.788 153 HA VAL 25 HA VAL 25 7.869 -3.195 6.834 154 HB VAL 25 HB VAL 25 6.760 -5.449 6.708 155 HG11 VAL 25 HG11 VAL 25 4.439 -4.634 6.320 156 HG12 VAL 25 HG12 VAL 25 5.392 -3.540 7.334 157 HG13 VAL 25 HG13 VAL 25 5.084 -3.136 5.667 158 HG21 VAL 25 HG21 VAL 25 7.182 -5.984 4.256 159 HG22 VAL 25 HG22 VAL 25 5.480 -5.991 4.562 160 HG23 VAL 25 HG23 VAL 25 6.189 -4.595 3.747 161 H CYS 26 H CYS 26 8.904 -5.330 7.545 162 HA CYS 26 HA CYS 26 11.031 -5.989 5.619 163 HB2 CYS 26 HB2 CYS 26 11.855 -4.884 7.675 164 HB3 CYS 26 HB3 CYS 26 11.163 -6.186 8.656 165 H GLY 27 H GLY 27 11.129 -8.036 4.768 166 HA2 GLY 27 HA2 GLY 27 9.078 -9.884 5.869 167 HA3 GLY 27 HA3 GLY 27 9.889 -9.939 4.296 168 HA PRO 28 HA PRO 28 11.532 -13.145 7.356 169 HB2 PRO 28 HB2 PRO 28 10.746 -15.451 6.200 170 HB3 PRO 28 HB3 PRO 28 9.649 -14.382 7.156 171 HG2 PRO 28 HG2 PRO 28 10.086 -14.405 4.141 172 HG3 PRO 28 HG3 PRO 28 8.549 -14.683 5.062 173 HD2 PRO 28 HD2 PRO 28 9.222 -12.257 4.057 174 HD3 PRO 28 HD3 PRO 28 8.394 -12.451 5.678 175 H ASN 29 H ASN 29 11.951 -12.701 3.844 176 HA ASN 29 HA ASN 29 14.260 -14.518 3.739 177 HB2 ASN 29 HB2 ASN 29 13.150 -12.565 1.716 178 HB3 ASN 29 HB3 ASN 29 14.476 -13.633 1.404 179 HD21 ASN 29 HD21 ASN 29 14.098 -15.924 1.368 180 HD22 ASN 29 HD22 ASN 29 12.449 -16.480 1.037 181 H GLY 30 H GLY 30 13.817 -11.522 5.160 182 HA2 GLY 30 HA2 GLY 30 15.450 -10.045 5.939 183 HA3 GLY 30 HA3 GLY 30 16.707 -10.976 5.086 184 H PHE 31 H PHE 31 13.932 -9.990 3.339 185 HA PHE 31 HA PHE 31 15.361 -7.564 2.179 186 HB2 PHE 31 HB2 PHE 31 13.579 -9.651 0.763 187 HB3 PHE 31 HB3 PHE 31 13.987 -8.063 0.096 188 HD1 PHE 31 HD1 PHE 31 14.953 -11.482 0.189 189 HD2 PHE 31 HD2 PHE 31 16.636 -7.524 -0.076 190 HE1 PHE 31 HE1 PHE 31 16.990 -12.459 -0.758 191 HE2 PHE 31 HE2 PHE 31 18.714 -8.466 -0.992 192 HZ PHE 31 HZ PHE 31 18.855 -11.006 -1.400 193 H CYS 32 H CYS 32 14.136 -5.841 1.738 194 HA CYS 32 HA CYS 32 11.777 -5.480 3.405 195 HB2 CYS 32 HB2 CYS 32 13.742 -3.746 2.864 196 HB3 CYS 32 HB3 CYS 32 12.856 -3.556 1.345 197 H GLY 33 H GLY 33 9.746 -4.847 2.711 198 HA2 GLY 33 HA2 GLY 33 9.060 -5.328 -0.162 199 HA3 GLY 33 HA3 GLY 33 8.295 -6.346 1.064 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 4.140 4.586 -0.104 2 H2 GLY 1 H2 GLY 1 5.434 5.442 0.288 3 H3 GLY 1 H3 GLY 1 5.174 5.096 -1.290 4 HA2 GLY 1 HA2 GLY 1 5.777 3.249 0.824 5 HA3 GLY 1 HA3 GLY 1 5.405 2.786 -0.837 6 H CYS 2 H CYS 2 7.598 1.778 -0.854 7 HA CYS 2 HA CYS 2 9.896 3.556 -0.780 8 HB2 CYS 2 HB2 CYS 2 9.482 0.647 -1.472 9 HB3 CYS 2 HB3 CYS 2 11.085 1.432 -1.589 10 HA PRO 3 HA PRO 3 9.774 4.676 -4.885 11 HB2 PRO 3 HB2 PRO 3 12.242 5.573 -5.493 12 HB3 PRO 3 HB3 PRO 3 11.225 6.305 -4.228 13 HG2 PRO 3 HG2 PRO 3 13.407 4.272 -3.841 14 HG3 PRO 3 HG3 PRO 3 13.211 5.903 -3.120 15 HD2 PRO 3 HD2 PRO 3 12.354 3.603 -1.863 16 HD3 PRO 3 HD3 PRO 3 11.509 5.173 -1.708 17 H ARG 4 H ARG 4 10.220 4.206 -7.116 18 HA ARG 4 HA ARG 4 11.814 1.727 -7.597 19 HB2 ARG 4 HB2 ARG 4 9.150 2.509 -8.762 20 HB3 ARG 4 HB3 ARG 4 10.134 1.183 -9.374 21 HG2 ARG 4 HG2 ARG 4 8.516 0.097 -8.190 22 HG3 ARG 4 HG3 ARG 4 9.862 0.214 -6.987 23 HD2 ARG 4 HD2 ARG 4 7.743 0.813 -5.884 24 HD3 ARG 4 HD3 ARG 4 8.786 2.243 -6.073 25 HE ARG 4 HE ARG 4 6.981 2.082 -8.242 26 HH11 ARG 4 HH11 ARG 4 6.986 2.707 -4.816 27 HH12 ARG 4 HH12 ARG 4 5.499 3.602 -4.860 28 HH21 ARG 4 HH21 ARG 4 5.037 3.260 -8.270 29 HH22 ARG 4 HH22 ARG 4 4.383 3.962 -6.789 30 HA PRO 5 HA PRO 5 13.167 5.418 -10.093 31 HB2 PRO 5 HB2 PRO 5 15.775 5.111 -9.872 32 HB3 PRO 5 HB3 PRO 5 14.792 5.903 -8.601 33 HG2 PRO 5 HG2 PRO 5 15.731 3.025 -8.671 34 HG3 PRO 5 HG3 PRO 5 15.909 4.255 -7.381 35 HD2 PRO 5 HD2 PRO 5 13.914 2.532 -7.337 36 HD3 PRO 5 HD3 PRO 5 13.698 4.219 -6.922 37 H ARG 6 H ARG 6 14.065 2.030 -10.273 38 HA ARG 6 HA ARG 6 14.652 2.332 -13.091 39 HB2 ARG 6 HB2 ARG 6 15.894 0.363 -11.396 40 HB3 ARG 6 HB3 ARG 6 16.232 0.598 -12.976 41 HG2 ARG 6 HG2 ARG 6 16.796 2.526 -10.925 42 HG3 ARG 6 HG3 ARG 6 17.909 1.504 -11.543 43 HD2 ARG 6 HD2 ARG 6 16.545 3.565 -13.029 44 HD3 ARG 6 HD3 ARG 6 18.123 3.594 -12.609 45 HE ARG 6 HE ARG 6 16.963 2.137 -14.760 46 HH11 ARG 6 HH11 ARG 6 18.389 1.166 -16.223 47 HH12 ARG 6 HH12 ARG 6 20.076 1.057 -15.845 48 HH21 ARG 6 HH21 ARG 6 19.775 2.642 -12.739 49 HH22 ARG 6 HH22 ARG 6 20.866 1.898 -13.860 50 H GLY 7 H GLY 7 13.703 0.041 -10.605 51 HA2 GLY 7 HA2 GLY 7 11.752 -1.328 -10.582 52 HA3 GLY 7 HA3 GLY 7 11.506 -0.954 -12.319 53 H ASP 8 H ASP 8 14.670 -1.473 -12.243 54 HA ASP 8 HA ASP 8 14.486 -4.393 -12.731 55 HB2 ASP 8 HB2 ASP 8 16.366 -2.229 -13.691 56 HB3 ASP 8 HB3 ASP 8 16.640 -3.963 -14.008 57 H ASN 9 H ASN 9 15.172 -2.461 -10.267 58 HA ASN 9 HA ASN 9 17.897 -3.455 -9.616 59 HB2 ASN 9 HB2 ASN 9 15.954 -1.540 -8.259 60 HB3 ASN 9 HB3 ASN 9 17.444 -2.122 -7.470 61 HD21 ASN 9 HD21 ASN 9 16.955 0.577 -7.883 62 HD22 ASN 9 HD22 ASN 9 18.068 1.208 -9.113 63 HA PRO 10 HA PRO 10 16.269 -6.822 -7.145 64 HB2 PRO 10 HB2 PRO 10 18.293 -7.212 -5.378 65 HB3 PRO 10 HB3 PRO 10 18.434 -7.631 -7.108 66 HG2 PRO 10 HG2 PRO 10 19.514 -5.229 -5.707 67 HG3 PRO 10 HG3 PRO 10 20.249 -6.275 -6.892 68 HD2 PRO 10 HD2 PRO 10 19.136 -3.886 -7.568 69 HD3 PRO 10 HD3 PRO 10 19.140 -5.307 -8.659 70 HA PRO 11 HA PRO 11 14.565 -4.833 -3.588 71 HB2 PRO 11 HB2 PRO 11 14.217 -6.829 -1.788 72 HB3 PRO 11 HB3 PRO 11 13.213 -6.701 -3.249 73 HG2 PRO 11 HG2 PRO 11 15.700 -8.393 -2.785 74 HG3 PRO 11 HG3 PRO 11 14.082 -8.928 -3.463 75 HD2 PRO 11 HD2 PRO 11 16.138 -8.322 -5.081 76 HD3 PRO 11 HD3 PRO 11 14.445 -7.892 -5.525 77 H LEU 12 H LEU 12 15.129 -3.914 -1.631 78 HA LEU 12 HA LEU 12 17.992 -4.122 -1.000 79 HB2 LEU 12 HB2 LEU 12 17.646 -2.256 0.492 80 HB3 LEU 12 HB3 LEU 12 16.932 -1.906 -1.079 81 HG LEU 12 HG LEU 12 15.009 -2.982 0.875 82 HD11 LEU 12 HD11 LEU 12 14.837 -0.946 2.154 83 HD12 LEU 12 HD12 LEU 12 16.276 -0.293 1.331 84 HD13 LEU 12 HD13 LEU 12 16.425 -1.728 2.372 85 HD21 LEU 12 HD21 LEU 12 13.570 -1.237 -0.069 86 HD22 LEU 12 HD22 LEU 12 14.426 -2.101 -1.385 87 HD23 LEU 12 HD23 LEU 12 14.964 -0.493 -0.876 88 H THR 13 H THR 13 18.840 -4.514 1.087 89 HA THR 13 HA THR 13 17.534 -6.729 2.416 90 HB THR 13 HB THR 13 19.490 -6.290 4.026 91 HG1 THR 13 HG1 THR 13 21.158 -4.985 3.126 92 HG21 THR 13 HG21 THR 13 19.983 -6.895 1.086 93 HG22 THR 13 HG22 THR 13 19.314 -8.002 2.268 94 HG23 THR 13 HG23 THR 13 20.965 -7.421 2.440 95 H CYS 14 H CYS 14 17.038 -6.975 4.625 96 HA CYS 14 HA CYS 14 17.044 -4.525 6.282 97 HB2 CYS 14 HB2 CYS 14 14.696 -4.709 6.894 98 HB3 CYS 14 HB3 CYS 14 14.827 -4.441 5.147 99 H SER 15 H SER 15 16.383 -5.126 8.602 100 HA SER 15 HA SER 15 16.625 -8.060 9.114 101 HB2 SER 15 HB2 SER 15 18.833 -7.620 9.688 102 HB3 SER 15 HB3 SER 15 18.552 -5.900 9.896 103 HG SER 15 HG SER 15 18.956 -7.026 11.866 104 H GLN 16 H GLN 16 15.539 -4.824 9.884 105 HA GLN 16 HA GLN 16 13.452 -6.056 11.624 106 HB2 GLN 16 HB2 GLN 16 13.548 -4.119 13.131 107 HB3 GLN 16 HB3 GLN 16 15.011 -5.081 13.145 108 HG2 GLN 16 HG2 GLN 16 16.124 -3.423 11.685 109 HG3 GLN 16 HG3 GLN 16 14.680 -2.373 11.770 110 HE21 GLN 16 HE21 GLN 16 17.663 -2.894 13.018 111 HE22 GLN 16 HE22 GLN 16 17.501 -2.167 14.617 112 H ASP 17 H ASP 17 11.466 -4.640 11.558 113 HA ASP 17 HA ASP 17 10.883 -3.653 8.962 114 HB2 ASP 17 HB2 ASP 17 9.576 -3.269 11.663 115 HB3 ASP 17 HB3 ASP 17 8.891 -2.662 10.104 116 H SER 18 H SER 18 12.232 -2.025 11.797 117 HA SER 18 HA SER 18 11.604 0.641 10.848 118 HB2 SER 18 HB2 SER 18 12.323 -0.046 13.258 119 HB3 SER 18 HB3 SER 18 13.980 -0.001 12.595 120 HG SER 18 HG SER 18 13.641 2.024 13.346 121 H ASP 19 H ASP 19 13.840 -1.612 9.567 122 HA ASP 19 HA ASP 19 15.890 0.253 8.702 123 HB2 ASP 19 HB2 ASP 19 15.064 -2.515 7.785 124 HB3 ASP 19 HB3 ASP 19 16.420 -1.581 7.020 125 H CYS 20 H CYS 20 12.745 -0.646 7.704 126 HA CYS 20 HA CYS 20 13.169 0.453 4.924 127 HB2 CYS 20 HB2 CYS 20 10.753 -0.958 6.189 128 HB3 CYS 20 HB3 CYS 20 10.875 -0.381 4.533 129 H LEU 21 H LEU 21 11.196 1.663 4.004 130 HA LEU 21 HA LEU 21 11.015 4.100 5.615 131 HB2 LEU 21 HB2 LEU 21 10.096 3.455 2.823 132 HB3 LEU 21 HB3 LEU 21 10.092 5.050 3.503 133 HG LEU 21 HG LEU 21 12.614 3.484 2.838 134 HD11 LEU 21 HD11 LEU 21 12.909 4.995 0.971 135 HD12 LEU 21 HD12 LEU 21 11.447 5.898 1.431 136 HD13 LEU 21 HD13 LEU 21 11.326 4.233 0.857 137 HD21 LEU 21 HD21 LEU 21 12.994 5.017 4.703 138 HD22 LEU 21 HD22 LEU 21 12.242 6.360 3.774 139 HD23 LEU 21 HD23 LEU 21 13.792 5.641 3.204 140 H ALA 22 H ALA 22 8.817 5.220 5.669 141 HA ALA 22 HA ALA 22 6.798 3.520 6.721 142 HB1 ALA 22 HB1 ALA 22 6.409 6.362 5.532 143 HB2 ALA 22 HB2 ALA 22 5.296 5.590 6.673 144 HB3 ALA 22 HB3 ALA 22 6.926 6.073 7.188 145 H GLY 23 H GLY 23 5.110 2.380 5.772 146 HA2 GLY 23 HA2 GLY 23 3.638 1.780 3.911 147 HA3 GLY 23 HA3 GLY 23 4.664 2.664 2.833 148 H CYS 24 H CYS 24 6.879 1.037 4.611 149 HA CYS 24 HA CYS 24 6.847 -1.331 2.762 150 HB2 CYS 24 HB2 CYS 24 9.187 0.404 3.652 151 HB3 CYS 24 HB3 CYS 24 9.318 -1.024 2.646 152 H VAL 25 H VAL 25 7.946 -3.146 3.710 153 HA VAL 25 HA VAL 25 8.123 -3.095 6.760 154 HB VAL 25 HB VAL 25 6.976 -5.376 6.749 155 HG11 VAL 25 HG11 VAL 25 4.666 -4.550 6.559 156 HG12 VAL 25 HG12 VAL 25 5.686 -3.387 7.422 157 HG13 VAL 25 HG13 VAL 25 5.227 -3.097 5.760 158 HG21 VAL 25 HG21 VAL 25 5.511 -5.891 4.664 159 HG22 VAL 25 HG22 VAL 25 6.296 -4.534 3.836 160 HG23 VAL 25 HG23 VAL 25 7.262 -5.942 4.294 161 H CYS 26 H CYS 26 9.144 -5.197 7.503 162 HA CYS 26 HA CYS 26 11.197 -5.986 5.528 163 HB2 CYS 26 HB2 CYS 26 12.062 -5.056 7.721 164 HB3 CYS 26 HB3 CYS 26 11.204 -6.373 8.541 165 H GLY 27 H GLY 27 11.161 -8.038 4.678 166 HA2 GLY 27 HA2 GLY 27 8.987 -9.737 5.778 167 HA3 GLY 27 HA3 GLY 27 9.770 -9.848 4.181 168 HA PRO 28 HA PRO 28 11.341 -12.978 7.585 169 HB2 PRO 28 HB2 PRO 28 10.357 -14.830 5.482 170 HB3 PRO 28 HB3 PRO 28 10.279 -15.013 7.239 171 HG2 PRO 28 HG2 PRO 28 8.116 -14.430 5.880 172 HG3 PRO 28 HG3 PRO 28 8.494 -13.520 7.389 173 HD2 PRO 28 HD2 PRO 28 8.891 -12.670 4.519 174 HD3 PRO 28 HD3 PRO 28 8.186 -11.772 5.938 175 H ASN 29 H ASN 29 11.705 -12.689 4.020 176 HA ASN 29 HA ASN 29 13.955 -14.485 3.933 177 HB2 ASN 29 HB2 ASN 29 13.082 -12.372 1.858 178 HB3 ASN 29 HB3 ASN 29 14.234 -13.635 1.587 179 HD21 ASN 29 HD21 ASN 29 12.471 -13.728 -0.204 180 HD22 ASN 29 HD22 ASN 29 11.224 -14.935 0.123 181 H GLY 30 H GLY 30 13.713 -11.333 5.233 182 HA2 GLY 30 HA2 GLY 30 15.483 -9.999 5.994 183 HA3 GLY 30 HA3 GLY 30 16.660 -11.024 5.112 184 H PHE 31 H PHE 31 13.886 -9.869 3.499 185 HA PHE 31 HA PHE 31 15.319 -7.509 2.281 186 HB2 PHE 31 HB2 PHE 31 13.645 -9.623 0.805 187 HB3 PHE 31 HB3 PHE 31 14.115 -8.026 0.169 188 HD1 PHE 31 HD1 PHE 31 15.161 -11.466 0.666 189 HD2 PHE 31 HD2 PHE 31 16.630 -7.488 -0.187 190 HE1 PHE 31 HE1 PHE 31 17.235 -12.448 -0.174 191 HE2 PHE 31 HE2 PHE 31 18.768 -8.448 -0.988 192 HZ PHE 31 HZ PHE 31 19.020 -10.970 -1.064 193 H CYS 32 H CYS 32 14.112 -5.799 1.788 194 HA CYS 32 HA CYS 32 11.747 -5.428 3.372 195 HB2 CYS 32 HB2 CYS 32 13.650 -3.675 2.611 196 HB3 CYS 32 HB3 CYS 32 12.669 -3.623 1.127 197 H GLY 33 H GLY 33 9.701 -4.797 2.627 198 HA2 GLY 33 HA2 GLY 33 8.987 -5.461 -0.188 199 HA3 GLY 33 HA3 GLY 33 8.211 -6.423 1.075 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.626 1.899 -0.416 2 H2 GLY 1 H2 GLY 1 3.455 1.366 -1.970 3 H3 GLY 1 H3 GLY 1 2.829 0.482 -0.726 4 HA2 GLY 1 HA2 GLY 1 5.005 0.042 0.130 5 HA3 GLY 1 HA3 GLY 1 4.878 -0.532 -1.523 6 H CYS 2 H CYS 2 7.328 -0.324 -1.017 7 HA CYS 2 HA CYS 2 8.366 2.344 -0.963 8 HB2 CYS 2 HB2 CYS 2 9.440 -0.443 -1.145 9 HB3 CYS 2 HB3 CYS 2 10.487 0.885 -1.647 10 HA PRO 3 HA PRO 3 8.639 3.279 -5.241 11 HB2 PRO 3 HB2 PRO 3 10.975 4.663 -5.538 12 HB3 PRO 3 HB3 PRO 3 9.603 5.335 -4.586 13 HG2 PRO 3 HG2 PRO 3 12.004 3.795 -3.621 14 HG3 PRO 3 HG3 PRO 3 11.426 5.392 -3.046 15 HD2 PRO 3 HD2 PRO 3 10.824 3.122 -1.765 16 HD3 PRO 3 HD3 PRO 3 9.582 4.417 -1.914 17 H ARG 4 H ARG 4 9.898 2.971 -7.276 18 HA ARG 4 HA ARG 4 11.057 0.357 -7.299 19 HB2 ARG 4 HB2 ARG 4 10.855 2.536 -9.364 20 HB3 ARG 4 HB3 ARG 4 11.549 0.976 -9.741 21 HG2 ARG 4 HG2 ARG 4 8.675 1.486 -8.829 22 HG3 ARG 4 HG3 ARG 4 9.213 1.146 -10.492 23 HD2 ARG 4 HD2 ARG 4 9.498 -0.771 -8.119 24 HD3 ARG 4 HD3 ARG 4 8.310 -0.942 -9.453 25 HE ARG 4 HE ARG 4 10.691 -0.819 -10.776 26 HH11 ARG 4 HH11 ARG 4 9.669 -2.893 -8.097 27 HH12 ARG 4 HH12 ARG 4 10.661 -4.209 -8.647 28 HH21 ARG 4 HH21 ARG 4 11.927 -2.533 -11.385 29 HH22 ARG 4 HH22 ARG 4 11.933 -3.996 -10.470 30 HA PRO 5 HA PRO 5 15.225 1.589 -6.720 31 HB2 PRO 5 HB2 PRO 5 16.608 -0.588 -7.585 32 HB3 PRO 5 HB3 PRO 5 15.507 -0.719 -6.183 33 HG2 PRO 5 HG2 PRO 5 14.989 -1.410 -9.056 34 HG3 PRO 5 HG3 PRO 5 14.689 -2.406 -7.611 35 HD2 PRO 5 HD2 PRO 5 12.772 -0.887 -8.864 36 HD3 PRO 5 HD3 PRO 5 12.735 -1.208 -7.092 37 H ARG 6 H ARG 6 17.425 1.299 -8.149 38 HA ARG 6 HA ARG 6 17.202 3.093 -10.193 39 HB2 ARG 6 HB2 ARG 6 19.253 2.426 -8.945 40 HB3 ARG 6 HB3 ARG 6 19.375 1.167 -9.978 41 HG2 ARG 6 HG2 ARG 6 19.607 2.760 -11.773 42 HG3 ARG 6 HG3 ARG 6 19.680 3.940 -10.646 43 HD2 ARG 6 HD2 ARG 6 21.561 1.758 -10.782 44 HD3 ARG 6 HD3 ARG 6 21.867 3.251 -11.369 45 HE ARG 6 HE ARG 6 21.880 2.466 -8.634 46 HH11 ARG 6 HH11 ARG 6 22.702 3.960 -7.147 47 HH12 ARG 6 HH12 ARG 6 22.994 5.596 -7.635 48 HH21 ARG 6 HH21 ARG 6 21.920 5.106 -10.930 49 HH22 ARG 6 HH22 ARG 6 22.549 6.249 -9.791 50 H GLY 7 H GLY 7 17.124 -0.331 -10.472 51 HA2 GLY 7 HA2 GLY 7 16.420 -0.062 -13.335 52 HA3 GLY 7 HA3 GLY 7 17.828 -1.083 -12.922 53 H ASP 8 H ASP 8 17.110 -3.118 -13.284 54 HA ASP 8 HA ASP 8 14.538 -3.968 -12.092 55 HB2 ASP 8 HB2 ASP 8 14.908 -6.085 -13.204 56 HB3 ASP 8 HB3 ASP 8 15.168 -4.773 -14.368 57 H ASN 9 H ASN 9 17.110 -3.121 -10.683 58 HA ASN 9 HA ASN 9 18.439 -5.270 -9.488 59 HB2 ASN 9 HB2 ASN 9 17.732 -2.515 -8.453 60 HB3 ASN 9 HB3 ASN 9 18.714 -3.630 -7.518 61 HD21 ASN 9 HD21 ASN 9 19.804 -1.280 -8.140 62 HD22 ASN 9 HD22 ASN 9 21.003 -1.439 -9.378 63 HA PRO 10 HA PRO 10 15.629 -7.149 -6.661 64 HB2 PRO 10 HB2 PRO 10 17.347 -8.013 -4.708 65 HB3 PRO 10 HB3 PRO 10 17.354 -8.727 -6.360 66 HG2 PRO 10 HG2 PRO 10 19.030 -6.507 -5.212 67 HG3 PRO 10 HG3 PRO 10 19.605 -8.006 -6.003 68 HD2 PRO 10 HD2 PRO 10 19.421 -5.730 -7.416 69 HD3 PRO 10 HD3 PRO 10 18.819 -7.256 -8.147 70 HA PRO 11 HA PRO 11 14.603 -4.314 -3.444 71 HB2 PRO 11 HB2 PRO 11 13.745 -5.869 -1.354 72 HB3 PRO 11 HB3 PRO 11 12.798 -5.686 -2.857 73 HG2 PRO 11 HG2 PRO 11 14.760 -7.902 -2.130 74 HG3 PRO 11 HG3 PRO 11 13.038 -8.011 -2.701 75 HD2 PRO 11 HD2 PRO 11 15.050 -8.291 -4.396 76 HD3 PRO 11 HD3 PRO 11 13.575 -7.358 -4.851 77 H LEU 12 H LEU 12 15.328 -3.427 -1.422 78 HA LEU 12 HA LEU 12 18.090 -3.981 -0.778 79 HB2 LEU 12 HB2 LEU 12 17.843 -2.148 0.753 80 HB3 LEU 12 HB3 LEU 12 17.060 -1.728 -0.755 81 HG LEU 12 HG LEU 12 15.182 -2.930 1.140 82 HD11 LEU 12 HD11 LEU 12 15.159 -1.105 2.756 83 HD12 LEU 12 HD12 LEU 12 16.582 -0.358 1.971 84 HD13 LEU 12 HD13 LEU 12 16.741 -1.942 2.799 85 HD21 LEU 12 HD21 LEU 12 14.525 -1.618 -0.927 86 HD22 LEU 12 HD22 LEU 12 15.241 -0.164 -0.199 87 HD23 LEU 12 HD23 LEU 12 13.852 -0.920 0.590 88 H THR 13 H THR 13 18.930 -4.595 1.262 89 HA THR 13 HA THR 13 17.407 -6.744 2.475 90 HB THR 13 HB THR 13 19.673 -6.565 3.974 91 HG1 THR 13 HG1 THR 13 21.336 -5.722 2.724 92 HG21 THR 13 HG21 THR 13 19.515 -7.704 1.149 93 HG22 THR 13 HG22 THR 13 18.920 -8.485 2.599 94 HG23 THR 13 HG23 THR 13 20.656 -8.200 2.397 95 H CYS 14 H CYS 14 16.951 -6.901 4.753 96 HA CYS 14 HA CYS 14 17.280 -4.489 6.432 97 HB2 CYS 14 HB2 CYS 14 14.836 -4.505 7.020 98 HB3 CYS 14 HB3 CYS 14 15.102 -4.074 5.329 99 H SER 15 H SER 15 16.785 -5.017 8.654 100 HA SER 15 HA SER 15 16.638 -7.933 9.274 101 HB2 SER 15 HB2 SER 15 18.847 -7.714 9.808 102 HB3 SER 15 HB3 SER 15 18.732 -5.962 9.917 103 HG SER 15 HG SER 15 17.399 -7.411 11.890 104 H GLN 16 H GLN 16 15.333 -4.855 9.623 105 HA GLN 16 HA GLN 16 13.463 -5.820 11.704 106 HB2 GLN 16 HB2 GLN 16 13.791 -3.697 12.991 107 HB3 GLN 16 HB3 GLN 16 15.163 -4.788 13.081 108 HG2 GLN 16 HG2 GLN 16 16.373 -3.475 11.405 109 HG3 GLN 16 HG3 GLN 16 15.000 -2.372 11.210 110 HE21 GLN 16 HE21 GLN 16 17.225 -1.160 11.705 111 HE22 GLN 16 HE22 GLN 16 17.360 -0.621 13.349 112 H ASP 17 H ASP 17 11.592 -4.133 11.685 113 HA ASP 17 HA ASP 17 10.985 -3.630 8.917 114 HB2 ASP 17 HB2 ASP 17 8.894 -2.647 9.789 115 HB3 ASP 17 HB3 ASP 17 9.221 -4.221 10.526 116 H SER 18 H SER 18 12.264 -1.797 11.570 117 HA SER 18 HA SER 18 11.822 0.831 10.605 118 HB2 SER 18 HB2 SER 18 14.214 0.855 12.097 119 HB3 SER 18 HB3 SER 18 12.573 1.111 12.696 120 HG SER 18 HG SER 18 13.772 -0.640 13.751 121 H ASP 19 H ASP 19 13.957 -1.510 9.339 122 HA ASP 19 HA ASP 19 15.989 0.401 8.425 123 HB2 ASP 19 HB2 ASP 19 15.349 -2.483 7.623 124 HB3 ASP 19 HB3 ASP 19 16.706 -1.524 6.921 125 H CYS 20 H CYS 20 12.825 -0.357 7.564 126 HA CYS 20 HA CYS 20 13.230 0.320 4.679 127 HB2 CYS 20 HB2 CYS 20 10.963 -0.935 6.263 128 HB3 CYS 20 HB3 CYS 20 10.757 -0.428 4.621 129 H LEU 21 H LEU 21 11.496 1.693 3.729 130 HA LEU 21 HA LEU 21 11.240 4.165 5.269 131 HB2 LEU 21 HB2 LEU 21 9.988 3.313 2.615 132 HB3 LEU 21 HB3 LEU 21 9.962 4.954 3.262 133 HG LEU 21 HG LEU 21 12.524 3.514 2.514 134 HD11 LEU 21 HD11 LEU 21 10.865 5.522 0.948 135 HD12 LEU 21 HD12 LEU 21 11.120 3.819 0.528 136 HD13 LEU 21 HD13 LEU 21 12.490 4.910 0.497 137 HD21 LEU 21 HD21 LEU 21 13.414 5.840 2.632 138 HD22 LEU 21 HD22 LEU 21 12.818 5.248 4.186 139 HD23 LEU 21 HD23 LEU 21 11.852 6.399 3.210 140 H ALA 22 H ALA 22 9.182 5.071 5.799 141 HA ALA 22 HA ALA 22 7.423 3.324 7.113 142 HB1 ALA 22 HB1 ALA 22 7.579 5.753 7.693 143 HB2 ALA 22 HB2 ALA 22 6.862 6.157 6.118 144 HB3 ALA 22 HB3 ALA 22 5.908 5.279 7.334 145 H GLY 23 H GLY 23 5.744 2.064 6.356 146 HA2 GLY 23 HA2 GLY 23 3.840 1.717 4.956 147 HA3 GLY 23 HA3 GLY 23 4.573 2.745 3.701 148 H CYS 24 H CYS 24 7.110 0.937 4.842 149 HA CYS 24 HA CYS 24 6.587 -1.362 3.019 150 HB2 CYS 24 HB2 CYS 24 9.241 -0.068 3.666 151 HB3 CYS 24 HB3 CYS 24 8.955 -1.344 2.443 152 H VAL 25 H VAL 25 7.627 -3.390 3.803 153 HA VAL 25 HA VAL 25 8.147 -3.319 6.748 154 HB VAL 25 HB VAL 25 7.023 -5.494 6.972 155 HG11 VAL 25 HG11 VAL 25 5.733 -3.428 7.461 156 HG12 VAL 25 HG12 VAL 25 5.216 -3.378 5.745 157 HG13 VAL 25 HG13 VAL 25 4.695 -4.714 6.815 158 HG21 VAL 25 HG21 VAL 25 5.652 -6.448 5.234 159 HG22 VAL 25 HG22 VAL 25 6.034 -5.108 4.112 160 HG23 VAL 25 HG23 VAL 25 7.295 -6.274 4.608 161 H CYS 26 H CYS 26 9.249 -5.355 7.506 162 HA CYS 26 HA CYS 26 11.325 -6.115 5.485 163 HB2 CYS 26 HB2 CYS 26 12.056 -5.039 7.647 164 HB3 CYS 26 HB3 CYS 26 11.400 -6.429 8.560 165 H GLY 27 H GLY 27 11.096 -8.011 4.526 166 HA2 GLY 27 HA2 GLY 27 8.985 -9.810 5.516 167 HA3 GLY 27 HA3 GLY 27 9.912 -9.919 4.036 168 HA PRO 28 HA PRO 28 11.213 -13.045 7.290 169 HB2 PRO 28 HB2 PRO 28 10.474 -15.375 6.071 170 HB3 PRO 28 HB3 PRO 28 9.316 -14.359 7.008 171 HG2 PRO 28 HG2 PRO 28 9.772 -14.402 4.044 172 HG3 PRO 28 HG3 PRO 28 8.236 -14.561 4.937 173 HD2 PRO 28 HD2 PRO 28 9.050 -12.213 3.914 174 HD3 PRO 28 HD3 PRO 28 8.215 -12.261 5.508 175 H ASN 29 H ASN 29 11.905 -12.534 3.967 176 HA ASN 29 HA ASN 29 14.184 -14.431 3.913 177 HB2 ASN 29 HB2 ASN 29 13.126 -12.463 1.804 178 HB3 ASN 29 HB3 ASN 29 14.454 -13.605 1.608 179 HD21 ASN 29 HD21 ASN 29 12.233 -13.620 -0.052 180 HD22 ASN 29 HD22 ASN 29 11.376 -15.109 0.227 181 H GLY 30 H GLY 30 13.680 -11.423 5.278 182 HA2 GLY 30 HA2 GLY 30 15.241 -9.889 6.007 183 HA3 GLY 30 HA3 GLY 30 16.527 -10.821 5.200 184 H PHE 31 H PHE 31 13.781 -9.927 3.357 185 HA PHE 31 HA PHE 31 15.291 -7.641 2.107 186 HB2 PHE 31 HB2 PHE 31 13.441 -9.701 0.859 187 HB3 PHE 31 HB3 PHE 31 13.790 -8.140 0.097 188 HD1 PHE 31 HD1 PHE 31 14.521 -11.420 -0.103 189 HD2 PHE 31 HD2 PHE 31 16.610 -7.712 0.290 190 HE1 PHE 31 HE1 PHE 31 16.520 -12.470 -1.143 191 HE2 PHE 31 HE2 PHE 31 18.645 -8.748 -0.772 192 HZ PHE 31 HZ PHE 31 18.590 -11.124 -1.464 193 H CYS 32 H CYS 32 14.141 -5.797 1.624 194 HA CYS 32 HA CYS 32 11.832 -5.332 3.348 195 HB2 CYS 32 HB2 CYS 32 13.671 -3.656 2.561 196 HB3 CYS 32 HB3 CYS 32 12.770 -3.583 1.048 197 H GLY 33 H GLY 33 9.658 -4.902 2.664 198 HA2 GLY 33 HA2 GLY 33 8.926 -5.142 -0.139 199 HA3 GLY 33 HA3 GLY 33 8.459 -6.554 0.811 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 5.169 3.260 -2.731 2 H2 GLY 1 H2 GLY 1 4.185 2.452 -1.705 3 H3 GLY 1 H3 GLY 1 5.187 3.657 -1.124 4 HA2 GLY 1 HA2 GLY 1 5.911 1.428 -0.652 5 HA3 GLY 1 HA3 GLY 1 6.113 1.194 -2.382 6 H CYS 2 H CYS 2 8.388 0.783 -1.361 7 HA CYS 2 HA CYS 2 9.959 3.148 -0.700 8 HB2 CYS 2 HB2 CYS 2 10.397 0.208 -1.024 9 HB3 CYS 2 HB3 CYS 2 11.811 1.271 -0.941 10 HA PRO 3 HA PRO 3 10.925 4.263 -4.627 11 HB2 PRO 3 HB2 PRO 3 13.467 5.181 -4.791 12 HB3 PRO 3 HB3 PRO 3 12.212 5.952 -3.793 13 HG2 PRO 3 HG2 PRO 3 14.333 3.995 -2.856 14 HG3 PRO 3 HG3 PRO 3 13.932 5.637 -2.286 15 HD2 PRO 3 HD2 PRO 3 12.873 3.418 -1.092 16 HD3 PRO 3 HD3 PRO 3 11.926 4.929 -1.299 17 H ARG 4 H ARG 4 11.744 3.817 -6.672 18 HA ARG 4 HA ARG 4 13.282 1.427 -6.940 19 HB2 ARG 4 HB2 ARG 4 11.594 0.869 -8.773 20 HB3 ARG 4 HB3 ARG 4 11.274 0.446 -7.229 21 HG2 ARG 4 HG2 ARG 4 9.818 2.219 -6.972 22 HG3 ARG 4 HG3 ARG 4 10.266 2.858 -8.407 23 HD2 ARG 4 HD2 ARG 4 8.237 1.829 -8.801 24 HD3 ARG 4 HD3 ARG 4 9.357 0.834 -9.452 25 HE ARG 4 HE ARG 4 8.950 -0.028 -6.885 26 HH11 ARG 4 HH11 ARG 4 7.594 -1.780 -6.426 27 HH12 ARG 4 HH12 ARG 4 6.386 -2.264 -7.568 28 HH21 ARG 4 HH21 ARG 4 7.196 0.213 -9.904 29 HH22 ARG 4 HH22 ARG 4 6.159 -1.128 -9.551 30 HA PRO 5 HA PRO 5 14.746 4.861 -9.653 31 HB2 PRO 5 HB2 PRO 5 17.233 3.230 -9.358 32 HB3 PRO 5 HB3 PRO 5 17.033 5.009 -9.380 33 HG2 PRO 5 HG2 PRO 5 17.372 3.721 -7.073 34 HG3 PRO 5 HG3 PRO 5 16.257 5.110 -7.202 35 HD2 PRO 5 HD2 PRO 5 15.765 2.178 -7.085 36 HD3 PRO 5 HD3 PRO 5 14.872 3.543 -6.367 37 H ARG 6 H ARG 6 15.200 1.365 -10.040 38 HA ARG 6 HA ARG 6 15.115 1.816 -12.978 39 HB2 ARG 6 HB2 ARG 6 17.372 0.906 -11.982 40 HB3 ARG 6 HB3 ARG 6 16.502 -0.635 -11.888 41 HG2 ARG 6 HG2 ARG 6 17.026 -0.916 -14.088 42 HG3 ARG 6 HG3 ARG 6 15.949 0.440 -14.477 43 HD2 ARG 6 HD2 ARG 6 17.993 1.044 -15.396 44 HD3 ARG 6 HD3 ARG 6 17.744 2.041 -13.943 45 HE ARG 6 HE ARG 6 19.294 -0.358 -13.403 46 HH11 ARG 6 HH11 ARG 6 19.549 2.793 -14.868 47 HH12 ARG 6 HH12 ARG 6 21.260 2.959 -14.610 48 HH21 ARG 6 HH21 ARG 6 21.582 -0.149 -13.056 49 HH22 ARG 6 HH22 ARG 6 22.384 1.261 -13.662 50 H GLY 7 H GLY 7 14.456 -0.423 -10.262 51 HA2 GLY 7 HA2 GLY 7 12.439 -1.626 -9.901 52 HA3 GLY 7 HA3 GLY 7 11.904 -1.161 -11.524 53 H ASP 8 H ASP 8 15.067 -2.210 -11.701 54 HA ASP 8 HA ASP 8 14.263 -4.873 -12.728 55 HB2 ASP 8 HB2 ASP 8 16.704 -3.151 -13.223 56 HB3 ASP 8 HB3 ASP 8 16.514 -4.804 -13.837 57 H ASN 9 H ASN 9 15.827 -3.361 -10.091 58 HA ASN 9 HA ASN 9 17.862 -5.514 -9.750 59 HB2 ASN 9 HB2 ASN 9 17.270 -2.877 -8.277 60 HB3 ASN 9 HB3 ASN 9 18.530 -4.007 -7.763 61 HD21 ASN 9 HD21 ASN 9 18.407 -1.136 -9.020 62 HD22 ASN 9 HD22 ASN 9 19.679 -1.205 -10.255 63 HA PRO 10 HA PRO 10 15.442 -7.632 -6.615 64 HB2 PRO 10 HB2 PRO 10 17.352 -8.432 -4.818 65 HB3 PRO 10 HB3 PRO 10 17.074 -9.203 -6.387 66 HG2 PRO 10 HG2 PRO 10 19.203 -7.189 -5.668 67 HG3 PRO 10 HG3 PRO 10 19.295 -8.642 -6.621 68 HD2 PRO 10 HD2 PRO 10 19.113 -6.256 -7.809 69 HD3 PRO 10 HD3 PRO 10 18.347 -7.687 -8.485 70 HA PRO 11 HA PRO 11 14.644 -4.637 -3.510 71 HB2 PRO 11 HB2 PRO 11 13.784 -6.086 -1.394 72 HB3 PRO 11 HB3 PRO 11 12.761 -5.902 -2.850 73 HG2 PRO 11 HG2 PRO 11 14.654 -8.187 -2.133 74 HG3 PRO 11 HG3 PRO 11 12.897 -8.260 -2.690 75 HD2 PRO 11 HD2 PRO 11 14.890 -8.641 -4.421 76 HD3 PRO 11 HD3 PRO 11 13.448 -7.664 -4.900 77 H LEU 12 H LEU 12 15.444 -3.621 -1.653 78 HA LEU 12 HA LEU 12 18.196 -4.237 -0.945 79 HB2 LEU 12 HB2 LEU 12 18.031 -2.372 0.528 80 HB3 LEU 12 HB3 LEU 12 17.273 -1.913 -0.969 81 HG LEU 12 HG LEU 12 15.623 -2.748 1.416 82 HD11 LEU 12 HD11 LEU 12 17.093 -1.129 2.345 83 HD12 LEU 12 HD12 LEU 12 15.545 -0.311 1.984 84 HD13 LEU 12 HD13 LEU 12 16.945 -0.075 0.884 85 HD21 LEU 12 HD21 LEU 12 14.367 -2.563 -0.646 86 HD22 LEU 12 HD22 LEU 12 15.058 -0.967 -1.006 87 HD23 LEU 12 HD23 LEU 12 13.984 -1.163 0.409 88 H THR 13 H THR 13 18.981 -4.692 1.236 89 HA THR 13 HA THR 13 17.409 -6.776 2.493 90 HB THR 13 HB THR 13 19.300 -6.650 4.190 91 HG1 THR 13 HG1 THR 13 21.038 -5.420 3.715 92 HG21 THR 13 HG21 THR 13 19.271 -8.292 2.462 93 HG22 THR 13 HG22 THR 13 20.893 -7.620 2.495 94 HG23 THR 13 HG23 THR 13 19.771 -7.106 1.232 95 H CYS 14 H CYS 14 16.848 -6.978 4.644 96 HA CYS 14 HA CYS 14 16.879 -4.514 6.310 97 HB2 CYS 14 HB2 CYS 14 14.490 -4.700 6.816 98 HB3 CYS 14 HB3 CYS 14 14.644 -4.740 5.057 99 H SER 15 H SER 15 16.238 -5.063 8.619 100 HA SER 15 HA SER 15 16.445 -7.950 9.251 101 HB2 SER 15 HB2 SER 15 18.585 -7.562 9.911 102 HB3 SER 15 HB3 SER 15 18.382 -5.802 9.884 103 HG SER 15 HG SER 15 18.662 -6.553 12.010 104 H GLN 16 H GLN 16 15.458 -4.666 9.834 105 HA GLN 16 HA GLN 16 13.241 -5.717 11.529 106 HB2 GLN 16 HB2 GLN 16 13.331 -3.581 12.828 107 HB3 GLN 16 HB3 GLN 16 14.689 -4.650 13.092 108 HG2 GLN 16 HG2 GLN 16 16.048 -3.226 11.547 109 HG3 GLN 16 HG3 GLN 16 14.680 -2.111 11.428 110 HE21 GLN 16 HE21 GLN 16 17.551 -2.500 12.857 111 HE22 GLN 16 HE22 GLN 16 17.298 -1.705 14.412 112 H ASP 17 H ASP 17 11.362 -4.030 11.324 113 HA ASP 17 HA ASP 17 11.055 -3.365 8.553 114 HB2 ASP 17 HB2 ASP 17 8.860 -2.785 9.058 115 HB3 ASP 17 HB3 ASP 17 9.240 -4.086 10.199 116 H SER 18 H SER 18 12.156 -1.610 11.425 117 HA SER 18 HA SER 18 11.802 1.056 10.402 118 HB2 SER 18 HB2 SER 18 14.267 0.443 11.955 119 HB3 SER 18 HB3 SER 18 12.934 1.587 12.313 120 HG SER 18 HG SER 18 13.301 -0.560 13.583 121 H ASP 19 H ASP 19 13.926 -1.451 9.207 122 HA ASP 19 HA ASP 19 16.003 0.329 8.258 123 HB2 ASP 19 HB2 ASP 19 15.177 -2.476 7.423 124 HB3 ASP 19 HB3 ASP 19 16.615 -1.587 6.745 125 H CYS 20 H CYS 20 12.883 -0.702 7.191 126 HA CYS 20 HA CYS 20 13.344 0.375 4.390 127 HB2 CYS 20 HB2 CYS 20 10.725 -0.747 5.544 128 HB3 CYS 20 HB3 CYS 20 11.319 -0.750 3.878 129 H LEU 21 H LEU 21 11.336 1.708 3.611 130 HA LEU 21 HA LEU 21 11.255 4.032 5.370 131 HB2 LEU 21 HB2 LEU 21 9.920 3.522 2.740 132 HB3 LEU 21 HB3 LEU 21 9.982 5.089 3.558 133 HG LEU 21 HG LEU 21 12.363 3.695 2.287 134 HD11 LEU 21 HD11 LEU 21 12.296 5.663 0.737 135 HD12 LEU 21 HD12 LEU 21 10.874 6.274 1.608 136 HD13 LEU 21 HD13 LEU 21 10.751 4.752 0.691 137 HD21 LEU 21 HD21 LEU 21 12.101 6.318 3.786 138 HD22 LEU 21 HD22 LEU 21 13.530 5.904 2.789 139 HD23 LEU 21 HD23 LEU 21 13.147 4.932 4.246 140 H ALA 22 H ALA 22 9.187 5.096 5.934 141 HA ALA 22 HA ALA 22 7.322 3.284 7.216 142 HB1 ALA 22 HB1 ALA 22 7.518 5.709 7.979 143 HB2 ALA 22 HB2 ALA 22 6.982 6.279 6.403 144 HB3 ALA 22 HB3 ALA 22 5.861 5.403 7.475 145 H GLY 23 H GLY 23 5.631 2.129 6.425 146 HA2 GLY 23 HA2 GLY 23 3.792 1.788 4.781 147 HA3 GLY 23 HA3 GLY 23 4.700 2.704 3.612 148 H CYS 24 H CYS 24 7.146 1.016 4.795 149 HA CYS 24 HA CYS 24 6.750 -1.235 2.864 150 HB2 CYS 24 HB2 CYS 24 9.243 0.191 3.800 151 HB3 CYS 24 HB3 CYS 24 9.226 -1.242 2.710 152 H VAL 25 H VAL 25 7.841 -3.262 3.698 153 HA VAL 25 HA VAL 25 7.812 -3.326 6.736 154 HB VAL 25 HB VAL 25 6.842 -5.644 6.531 155 HG11 VAL 25 HG11 VAL 25 5.436 -3.510 6.960 156 HG12 VAL 25 HG12 VAL 25 4.938 -3.675 5.255 157 HG13 VAL 25 HG13 VAL 25 4.596 -4.978 6.426 158 HG21 VAL 25 HG21 VAL 25 7.437 -6.032 4.050 159 HG22 VAL 25 HG22 VAL 25 5.734 -6.263 4.372 160 HG23 VAL 25 HG23 VAL 25 6.263 -4.768 3.605 161 H CYS 26 H CYS 26 8.829 -5.562 7.435 162 HA CYS 26 HA CYS 26 11.039 -6.235 5.612 163 HB2 CYS 26 HB2 CYS 26 11.894 -4.958 7.595 164 HB3 CYS 26 HB3 CYS 26 11.096 -6.151 8.611 165 H GLY 27 H GLY 27 11.032 -8.374 4.919 166 HA2 GLY 27 HA2 GLY 27 9.187 -10.129 6.504 167 HA3 GLY 27 HA3 GLY 27 9.537 -10.196 4.747 168 HA PRO 28 HA PRO 28 11.900 -13.454 7.375 169 HB2 PRO 28 HB2 PRO 28 10.591 -15.201 5.382 170 HB3 PRO 28 HB3 PRO 28 10.819 -15.460 7.134 171 HG2 PRO 28 HG2 PRO 28 8.418 -14.855 6.209 172 HG3 PRO 28 HG3 PRO 28 9.053 -14.017 7.672 173 HD2 PRO 28 HD2 PRO 28 9.011 -13.068 4.814 174 HD3 PRO 28 HD3 PRO 28 8.448 -12.233 6.349 175 H ASN 29 H ASN 29 11.740 -12.654 3.921 176 HA ASN 29 HA ASN 29 13.992 -14.389 3.245 177 HB2 ASN 29 HB2 ASN 29 12.789 -12.044 1.655 178 HB3 ASN 29 HB3 ASN 29 13.986 -13.190 1.100 179 HD21 ASN 29 HD21 ASN 29 11.469 -12.659 -0.096 180 HD22 ASN 29 HD22 ASN 29 10.607 -14.164 -0.032 181 H GLY 30 H GLY 30 13.697 -11.518 5.098 182 HA2 GLY 30 HA2 GLY 30 15.416 -10.211 5.960 183 HA3 GLY 30 HA3 GLY 30 16.610 -11.082 4.994 184 H PHE 31 H PHE 31 13.849 -9.819 3.456 185 HA PHE 31 HA PHE 31 15.383 -7.470 2.336 186 HB2 PHE 31 HB2 PHE 31 13.468 -9.356 0.835 187 HB3 PHE 31 HB3 PHE 31 14.161 -7.836 0.202 188 HD1 PHE 31 HD1 PHE 31 14.538 -11.311 0.079 189 HD2 PHE 31 HD2 PHE 31 16.923 -7.760 0.498 190 HE1 PHE 31 HE1 PHE 31 16.508 -12.557 -0.710 191 HE2 PHE 31 HE2 PHE 31 18.892 -8.981 -0.270 192 HZ PHE 31 HZ PHE 31 18.666 -11.434 -0.953 193 H CYS 32 H CYS 32 14.317 -5.641 2.021 194 HA CYS 32 HA CYS 32 11.877 -5.090 3.539 195 HB2 CYS 32 HB2 CYS 32 13.512 -3.534 1.494 196 HB3 CYS 32 HB3 CYS 32 11.948 -2.936 2.149 197 H GLY 33 H GLY 33 9.884 -4.762 2.758 198 HA2 GLY 33 HA2 GLY 33 9.302 -5.513 -0.095 199 HA3 GLY 33 HA3 GLY 33 8.563 -6.477 1.199 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 5.931 4.964 1.367 2 H2 GLY 1 H2 GLY 1 5.600 5.418 -0.164 3 H3 GLY 1 H3 GLY 1 4.414 4.719 0.770 4 HA2 GLY 1 HA2 GLY 1 5.893 2.770 0.867 5 HA3 GLY 1 HA3 GLY 1 5.153 3.089 -0.721 6 H CYS 2 H CYS 2 7.413 1.557 -0.710 7 HA CYS 2 HA CYS 2 9.819 3.146 -0.834 8 HB2 CYS 2 HB2 CYS 2 9.092 0.265 -1.329 9 HB3 CYS 2 HB3 CYS 2 10.712 0.869 -1.741 10 HA PRO 3 HA PRO 3 9.205 4.123 -5.015 11 HB2 PRO 3 HB2 PRO 3 11.363 5.596 -5.626 12 HB3 PRO 3 HB3 PRO 3 10.171 6.120 -4.404 13 HG2 PRO 3 HG2 PRO 3 12.825 4.794 -3.919 14 HG3 PRO 3 HG3 PRO 3 12.120 6.282 -3.227 15 HD2 PRO 3 HD2 PRO 3 11.999 3.776 -2.025 16 HD3 PRO 3 HD3 PRO 3 10.810 5.103 -1.776 17 H ARG 4 H ARG 4 9.833 3.591 -7.156 18 HA ARG 4 HA ARG 4 12.091 1.671 -7.351 19 HB2 ARG 4 HB2 ARG 4 9.448 1.483 -8.811 20 HB3 ARG 4 HB3 ARG 4 10.777 0.340 -8.938 21 HG2 ARG 4 HG2 ARG 4 10.315 -0.076 -6.423 22 HG3 ARG 4 HG3 ARG 4 8.752 0.727 -6.760 23 HD2 ARG 4 HD2 ARG 4 9.855 -1.738 -8.251 24 HD3 ARG 4 HD3 ARG 4 8.603 -1.753 -6.995 25 HE ARG 4 HE ARG 4 7.736 0.062 -8.962 26 HH11 ARG 4 HH11 ARG 4 8.291 -3.416 -8.725 27 HH12 ARG 4 HH12 ARG 4 7.007 -3.777 -9.832 28 HH21 ARG 4 HH21 ARG 4 6.137 -0.476 -10.331 29 HH22 ARG 4 HH22 ARG 4 5.760 -2.131 -10.722 30 HA PRO 5 HA PRO 5 12.665 5.326 -10.216 31 HB2 PRO 5 HB2 PRO 5 15.433 4.356 -9.730 32 HB3 PRO 5 HB3 PRO 5 14.819 6.025 -9.899 33 HG2 PRO 5 HG2 PRO 5 15.362 5.018 -7.517 34 HG3 PRO 5 HG3 PRO 5 13.952 6.075 -7.758 35 HD2 PRO 5 HD2 PRO 5 14.203 3.115 -7.471 36 HD3 PRO 5 HD3 PRO 5 12.972 4.260 -6.842 37 H ARG 6 H ARG 6 14.354 2.160 -10.245 38 HA ARG 6 HA ARG 6 14.817 2.302 -13.133 39 HB2 ARG 6 HB2 ARG 6 16.295 1.066 -11.483 40 HB3 ARG 6 HB3 ARG 6 14.976 -0.103 -11.258 41 HG2 ARG 6 HG2 ARG 6 15.141 -0.724 -13.651 42 HG3 ARG 6 HG3 ARG 6 16.420 0.494 -13.875 43 HD2 ARG 6 HD2 ARG 6 16.605 -1.796 -11.845 44 HD3 ARG 6 HD3 ARG 6 17.228 -1.849 -13.478 45 HE ARG 6 HE ARG 6 18.381 -0.353 -11.255 46 HH11 ARG 6 HH11 ARG 6 18.309 -0.790 -14.755 47 HH12 ARG 6 HH12 ARG 6 19.823 0.055 -15.007 48 HH21 ARG 6 HH21 ARG 6 20.338 0.742 -11.640 49 HH22 ARG 6 HH22 ARG 6 20.924 0.893 -13.268 50 H GLY 7 H GLY 7 12.651 0.792 -10.745 51 HA2 GLY 7 HA2 GLY 7 10.357 0.313 -11.156 52 HA3 GLY 7 HA3 GLY 7 10.699 0.173 -12.902 53 H ASP 8 H ASP 8 13.013 -1.404 -12.786 54 HA ASP 8 HA ASP 8 11.921 -4.066 -12.060 55 HB2 ASP 8 HB2 ASP 8 14.355 -3.190 -13.640 56 HB3 ASP 8 HB3 ASP 8 13.950 -4.880 -13.323 57 H ASN 9 H ASN 9 13.373 -1.789 -10.314 58 HA ASN 9 HA ASN 9 15.860 -3.092 -9.642 59 HB2 ASN 9 HB2 ASN 9 15.834 -1.374 -7.730 60 HB3 ASN 9 HB3 ASN 9 15.750 -0.750 -9.378 61 HD21 ASN 9 HD21 ASN 9 14.127 -1.270 -6.333 62 HD22 ASN 9 HD22 ASN 9 12.723 -0.252 -6.655 63 HA PRO 10 HA PRO 10 14.418 -6.143 -6.715 64 HB2 PRO 10 HB2 PRO 10 16.751 -6.661 -5.431 65 HB3 PRO 10 HB3 PRO 10 16.465 -7.167 -7.103 66 HG2 PRO 10 HG2 PRO 10 18.001 -4.821 -6.129 67 HG3 PRO 10 HG3 PRO 10 18.381 -6.031 -7.361 68 HD2 PRO 10 HD2 PRO 10 17.365 -3.617 -8.046 69 HD3 PRO 10 HD3 PRO 10 16.938 -5.113 -8.919 70 HA PRO 11 HA PRO 11 13.923 -4.027 -2.853 71 HB2 PRO 11 HB2 PRO 11 13.772 -5.991 -1.032 72 HB3 PRO 11 HB3 PRO 11 12.480 -5.779 -2.217 73 HG2 PRO 11 HG2 PRO 11 14.849 -7.682 -2.295 74 HG3 PRO 11 HG3 PRO 11 13.087 -8.088 -2.570 75 HD2 PRO 11 HD2 PRO 11 14.772 -7.644 -4.635 76 HD3 PRO 11 HD3 PRO 11 13.062 -7.116 -4.711 77 H LEU 12 H LEU 12 14.963 -3.364 -0.964 78 HA LEU 12 HA LEU 12 17.892 -3.833 -0.828 79 HB2 LEU 12 HB2 LEU 12 17.800 -2.195 0.962 80 HB3 LEU 12 HB3 LEU 12 16.999 -1.542 -0.456 81 HG LEU 12 HG LEU 12 15.276 -2.760 1.640 82 HD11 LEU 12 HD11 LEU 12 16.681 -1.578 3.094 83 HD12 LEU 12 HD12 LEU 12 15.235 -0.585 2.845 84 HD13 LEU 12 HD13 LEU 12 16.752 -0.157 1.994 85 HD21 LEU 12 HD21 LEU 12 14.261 -1.883 -0.403 86 HD22 LEU 12 HD22 LEU 12 14.992 -0.285 -0.109 87 HD23 LEU 12 HD23 LEU 12 13.781 -0.919 1.016 88 H THR 13 H THR 13 18.884 -4.474 1.257 89 HA THR 13 HA THR 13 17.474 -6.708 2.480 90 HB THR 13 HB THR 13 19.421 -6.489 4.145 91 HG1 THR 13 HG1 THR 13 21.127 -5.230 3.468 92 HG21 THR 13 HG21 THR 13 19.378 -8.167 2.431 93 HG22 THR 13 HG22 THR 13 20.984 -7.443 2.401 94 HG23 THR 13 HG23 THR 13 19.776 -6.980 1.176 95 H CYS 14 H CYS 14 16.896 -6.937 4.675 96 HA CYS 14 HA CYS 14 16.974 -4.514 6.365 97 HB2 CYS 14 HB2 CYS 14 14.533 -4.543 6.836 98 HB3 CYS 14 HB3 CYS 14 14.786 -4.267 5.102 99 H SER 15 H SER 15 16.409 -5.104 8.691 100 HA SER 15 HA SER 15 16.297 -8.070 9.094 101 HB2 SER 15 HB2 SER 15 18.454 -7.838 9.778 102 HB3 SER 15 HB3 SER 15 18.298 -6.110 10.088 103 HG SER 15 HG SER 15 18.526 -7.524 11.993 104 H GLN 16 H GLN 16 15.363 -4.840 9.840 105 HA GLN 16 HA GLN 16 13.064 -5.958 11.374 106 HB2 GLN 16 HB2 GLN 16 13.163 -3.899 12.863 107 HB3 GLN 16 HB3 GLN 16 14.408 -5.100 13.146 108 HG2 GLN 16 HG2 GLN 16 16.012 -3.702 11.820 109 HG3 GLN 16 HG3 GLN 16 14.765 -2.436 11.655 110 HE21 GLN 16 HE21 GLN 16 17.434 -3.150 13.269 111 HE22 GLN 16 HE22 GLN 16 17.139 -2.447 14.848 112 H ASP 17 H ASP 17 11.226 -4.193 11.236 113 HA ASP 17 HA ASP 17 11.066 -3.328 8.499 114 HB2 ASP 17 HB2 ASP 17 8.880 -2.613 9.068 115 HB3 ASP 17 HB3 ASP 17 9.142 -4.070 10.016 116 H SER 18 H SER 18 12.073 -1.881 11.520 117 HA SER 18 HA SER 18 11.965 0.882 10.772 118 HB2 SER 18 HB2 SER 18 14.359 0.029 12.223 119 HB3 SER 18 HB3 SER 18 13.071 1.191 12.680 120 HG SER 18 HG SER 18 13.307 -1.052 13.803 121 H ASP 19 H ASP 19 14.052 -1.625 9.447 122 HA ASP 19 HA ASP 19 16.169 0.203 8.586 123 HB2 ASP 19 HB2 ASP 19 15.376 -2.606 7.749 124 HB3 ASP 19 HB3 ASP 19 16.827 -1.726 7.101 125 H CYS 20 H CYS 20 13.019 -0.623 7.533 126 HA CYS 20 HA CYS 20 13.556 0.147 4.671 127 HB2 CYS 20 HB2 CYS 20 11.023 -0.786 6.114 128 HB3 CYS 20 HB3 CYS 20 11.126 -0.342 4.425 129 H LEU 21 H LEU 21 11.685 1.475 3.724 130 HA LEU 21 HA LEU 21 11.735 4.066 5.104 131 HB2 LEU 21 HB2 LEU 21 10.644 3.235 2.426 132 HB3 LEU 21 HB3 LEU 21 10.684 4.887 2.985 133 HG LEU 21 HG LEU 21 13.164 3.251 2.298 134 HD11 LEU 21 HD11 LEU 21 11.844 5.584 0.858 135 HD12 LEU 21 HD12 LEU 21 11.777 3.909 0.317 136 HD13 LEU 21 HD13 LEU 21 13.339 4.736 0.351 137 HD21 LEU 21 HD21 LEU 21 12.805 6.133 3.182 138 HD22 LEU 21 HD22 LEU 21 14.309 5.499 2.481 139 HD23 LEU 21 HD23 LEU 21 13.698 4.853 4.033 140 H ALA 22 H ALA 22 9.659 5.309 5.234 141 HA ALA 22 HA ALA 22 7.693 3.839 6.701 142 HB1 ALA 22 HB1 ALA 22 7.943 6.336 7.043 143 HB2 ALA 22 HB2 ALA 22 7.518 6.653 5.365 144 HB3 ALA 22 HB3 ALA 22 6.285 6.009 6.485 145 H GLY 23 H GLY 23 5.758 2.878 6.170 146 HA2 GLY 23 HA2 GLY 23 3.961 2.223 4.690 147 HA3 GLY 23 HA3 GLY 23 4.809 2.995 3.347 148 H CYS 24 H CYS 24 7.242 1.250 4.652 149 HA CYS 24 HA CYS 24 6.650 -1.113 2.903 150 HB2 CYS 24 HB2 CYS 24 9.312 0.051 3.702 151 HB3 CYS 24 HB3 CYS 24 9.004 -1.175 2.464 152 H VAL 25 H VAL 25 7.693 -3.115 3.734 153 HA VAL 25 HA VAL 25 7.951 -3.067 6.763 154 HB VAL 25 HB VAL 25 6.789 -5.306 6.765 155 HG11 VAL 25 HG11 VAL 25 5.192 -2.884 5.813 156 HG12 VAL 25 HG12 VAL 25 4.427 -4.378 6.392 157 HG13 VAL 25 HG13 VAL 25 5.466 -3.446 7.507 158 HG21 VAL 25 HG21 VAL 25 7.092 -5.821 4.307 159 HG22 VAL 25 HG22 VAL 25 5.426 -5.899 4.760 160 HG23 VAL 25 HG23 VAL 25 5.966 -4.486 3.874 161 H CYS 26 H CYS 26 8.899 -5.259 7.445 162 HA CYS 26 HA CYS 26 10.946 -6.079 5.463 163 HB2 CYS 26 HB2 CYS 26 11.831 -5.010 7.585 164 HB3 CYS 26 HB3 CYS 26 11.099 -6.380 8.482 165 H GLY 27 H GLY 27 11.374 -8.379 5.220 166 HA2 GLY 27 HA2 GLY 27 9.210 -10.018 6.511 167 HA3 GLY 27 HA3 GLY 27 9.614 -10.126 4.777 168 HA PRO 28 HA PRO 28 12.060 -13.163 7.661 169 HB2 PRO 28 HB2 PRO 28 10.653 -15.102 5.877 170 HB3 PRO 28 HB3 PRO 28 11.025 -15.229 7.603 171 HG2 PRO 28 HG2 PRO 28 8.556 -14.720 6.854 172 HG3 PRO 28 HG3 PRO 28 9.280 -13.767 8.184 173 HD2 PRO 28 HD2 PRO 28 8.981 -13.041 5.263 174 HD3 PRO 28 HD3 PRO 28 8.571 -12.085 6.788 175 H ASN 29 H ASN 29 11.723 -12.727 4.158 176 HA ASN 29 HA ASN 29 13.937 -14.425 3.419 177 HB2 ASN 29 HB2 ASN 29 12.112 -13.412 1.891 178 HB3 ASN 29 HB3 ASN 29 13.053 -11.892 1.931 179 HD21 ASN 29 HD21 ASN 29 13.795 -11.818 -0.171 180 HD22 ASN 29 HD22 ASN 29 14.800 -13.054 -0.930 181 H GLY 30 H GLY 30 13.711 -11.335 5.077 182 HA2 GLY 30 HA2 GLY 30 15.495 -10.123 5.971 183 HA3 GLY 30 HA3 GLY 30 16.680 -11.098 5.072 184 H PHE 31 H PHE 31 14.001 -9.844 3.410 185 HA PHE 31 HA PHE 31 15.435 -7.383 2.376 186 HB2 PHE 31 HB2 PHE 31 14.133 -9.601 0.692 187 HB3 PHE 31 HB3 PHE 31 14.475 -7.956 0.123 188 HD1 PHE 31 HD1 PHE 31 16.029 -11.174 1.188 189 HD2 PHE 31 HD2 PHE 31 16.764 -7.251 -0.480 190 HE1 PHE 31 HE1 PHE 31 18.292 -11.902 0.589 191 HE2 PHE 31 HE2 PHE 31 19.065 -7.946 -1.064 192 HZ PHE 31 HZ PHE 31 19.811 -10.339 -0.585 193 H CYS 32 H CYS 32 14.097 -5.774 1.753 194 HA CYS 32 HA CYS 32 11.715 -5.500 3.326 195 HB2 CYS 32 HB2 CYS 32 13.569 -3.716 2.495 196 HB3 CYS 32 HB3 CYS 32 12.548 -3.673 1.061 197 H GLY 33 H GLY 33 9.661 -4.966 2.694 198 HA2 GLY 33 HA2 GLY 33 8.847 -5.624 -0.121 199 HA3 GLY 33 HA3 GLY 33 8.151 -6.603 1.162 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 3.418 2.204 -1.867 2 H2 GLY 1 H2 GLY 1 2.739 1.953 -0.407 3 H3 GLY 1 H3 GLY 1 3.927 3.108 -0.570 4 HA2 GLY 1 HA2 GLY 1 4.608 1.059 0.491 5 HA3 GLY 1 HA3 GLY 1 4.365 0.261 -1.086 6 H CYS 2 H CYS 2 6.739 -0.208 -0.958 7 HA CYS 2 HA CYS 2 8.588 1.987 -0.986 8 HB2 CYS 2 HB2 CYS 2 9.102 -0.801 -2.027 9 HB3 CYS 2 HB3 CYS 2 10.274 0.284 -1.251 10 HA PRO 3 HA PRO 3 8.464 2.820 -5.232 11 HB2 PRO 3 HB2 PRO 3 10.981 3.580 -5.975 12 HB3 PRO 3 HB3 PRO 3 9.910 4.552 -4.925 13 HG2 PRO 3 HG2 PRO 3 12.158 2.730 -4.080 14 HG3 PRO 3 HG3 PRO 3 11.807 4.438 -3.652 15 HD2 PRO 3 HD2 PRO 3 11.079 2.314 -2.077 16 HD3 PRO 3 HD3 PRO 3 10.123 3.840 -2.195 17 H ARG 4 H ARG 4 8.522 1.624 -7.179 18 HA ARG 4 HA ARG 4 9.303 -1.112 -6.756 19 HB2 ARG 4 HB2 ARG 4 8.433 -1.583 -9.054 20 HB3 ARG 4 HB3 ARG 4 7.297 -0.678 -8.006 21 HG2 ARG 4 HG2 ARG 4 7.658 1.385 -9.219 22 HG3 ARG 4 HG3 ARG 4 8.967 0.631 -10.156 23 HD2 ARG 4 HD2 ARG 4 7.025 0.558 -11.581 24 HD3 ARG 4 HD3 ARG 4 7.333 -1.067 -11.009 25 HE ARG 4 HE ARG 4 5.452 0.464 -9.337 26 HH11 ARG 4 HH11 ARG 4 5.639 -1.728 -12.038 27 HH12 ARG 4 HH12 ARG 4 4.002 -2.287 -11.892 28 HH21 ARG 4 HH21 ARG 4 3.388 -0.189 -9.226 29 HH22 ARG 4 HH22 ARG 4 2.745 -1.395 -10.282 30 HA PRO 5 HA PRO 5 13.270 -0.806 -8.698 31 HB2 PRO 5 HB2 PRO 5 13.900 -3.399 -9.117 32 HB3 PRO 5 HB3 PRO 5 13.607 -2.825 -7.446 33 HG2 PRO 5 HG2 PRO 5 11.692 -4.281 -9.299 34 HG3 PRO 5 HG3 PRO 5 12.101 -4.601 -7.576 35 HD2 PRO 5 HD2 PRO 5 9.962 -3.188 -8.353 36 HD3 PRO 5 HD3 PRO 5 10.781 -2.992 -6.796 37 H ARG 6 H ARG 6 14.440 -1.373 -10.842 38 HA ARG 6 HA ARG 6 12.486 -1.307 -13.023 39 HB2 ARG 6 HB2 ARG 6 14.521 0.068 -13.034 40 HB3 ARG 6 HB3 ARG 6 15.497 -1.438 -13.233 41 HG2 ARG 6 HG2 ARG 6 14.345 -1.947 -15.397 42 HG3 ARG 6 HG3 ARG 6 13.334 -0.493 -15.255 43 HD2 ARG 6 HD2 ARG 6 16.367 -0.376 -15.222 44 HD3 ARG 6 HD3 ARG 6 15.354 -0.208 -16.652 45 HE ARG 6 HE ARG 6 14.394 1.662 -14.801 46 HH11 ARG 6 HH11 ARG 6 17.229 1.087 -16.831 47 HH12 ARG 6 HH12 ARG 6 17.626 2.803 -17.006 48 HH21 ARG 6 HH21 ARG 6 14.969 3.830 -15.058 49 HH22 ARG 6 HH22 ARG 6 16.314 4.311 -16.017 50 H GLY 7 H GLY 7 14.288 -3.556 -11.255 51 HA2 GLY 7 HA2 GLY 7 13.797 -5.868 -11.253 52 HA3 GLY 7 HA3 GLY 7 13.306 -5.735 -12.941 53 H ASP 8 H ASP 8 16.243 -4.180 -12.076 54 HA ASP 8 HA ASP 8 17.820 -6.277 -13.394 55 HB2 ASP 8 HB2 ASP 8 18.228 -3.320 -13.087 56 HB3 ASP 8 HB3 ASP 8 19.522 -4.427 -13.530 57 H ASN 9 H ASN 9 17.073 -5.047 -10.332 58 HA ASN 9 HA ASN 9 19.598 -6.128 -9.131 59 HB2 ASN 9 HB2 ASN 9 18.429 -3.316 -8.655 60 HB3 ASN 9 HB3 ASN 9 19.593 -4.085 -7.535 61 HD21 ASN 9 HD21 ASN 9 19.256 -2.235 -10.467 62 HD22 ASN 9 HD22 ASN 9 20.974 -2.272 -10.869 63 HA PRO 10 HA PRO 10 16.488 -7.802 -6.384 64 HB2 PRO 10 HB2 PRO 10 17.958 -8.269 -4.093 65 HB3 PRO 10 HB3 PRO 10 18.145 -9.242 -5.576 66 HG2 PRO 10 HG2 PRO 10 19.828 -6.973 -4.616 67 HG3 PRO 10 HG3 PRO 10 20.292 -8.536 -5.289 68 HD2 PRO 10 HD2 PRO 10 20.291 -6.319 -6.831 69 HD3 PRO 10 HD3 PRO 10 19.857 -7.918 -7.463 70 HA PRO 11 HA PRO 11 15.117 -4.423 -3.819 71 HB2 PRO 11 HB2 PRO 11 13.761 -5.603 -1.846 72 HB3 PRO 11 HB3 PRO 11 13.124 -5.610 -3.513 73 HG2 PRO 11 HG2 PRO 11 14.707 -7.765 -2.081 74 HG3 PRO 11 HG3 PRO 11 13.148 -7.935 -3.028 75 HD2 PRO 11 HD2 PRO 11 15.496 -8.480 -4.114 76 HD3 PRO 11 HD3 PRO 11 14.228 -7.750 -5.085 77 H LEU 12 H LEU 12 15.502 -3.372 -1.662 78 HA LEU 12 HA LEU 12 18.200 -3.914 -0.753 79 HB2 LEU 12 HB2 LEU 12 17.832 -2.194 0.888 80 HB3 LEU 12 HB3 LEU 12 17.200 -1.702 -0.651 81 HG LEU 12 HG LEU 12 14.944 -2.691 0.762 82 HD11 LEU 12 HD11 LEU 12 16.564 -0.801 2.494 83 HD12 LEU 12 HD12 LEU 12 16.246 -2.484 2.844 84 HD13 LEU 12 HD13 LEU 12 14.905 -1.386 2.747 85 HD21 LEU 12 HD21 LEU 12 15.106 -0.896 -0.947 86 HD22 LEU 12 HD22 LEU 12 15.963 0.151 0.187 87 HD23 LEU 12 HD23 LEU 12 14.293 -0.340 0.549 88 H THR 13 H THR 13 18.989 -4.611 1.241 89 HA THR 13 HA THR 13 17.349 -6.712 2.481 90 HB THR 13 HB THR 13 19.431 -6.861 3.911 91 HG1 THR 13 HG1 THR 13 21.260 -5.847 3.076 92 HG21 THR 13 HG21 THR 13 20.502 -8.189 2.190 93 HG22 THR 13 HG22 THR 13 19.650 -7.250 0.901 94 HG23 THR 13 HG23 THR 13 18.739 -8.318 2.007 95 H CYS 14 H CYS 14 16.953 -6.939 4.687 96 HA CYS 14 HA CYS 14 17.304 -4.536 6.383 97 HB2 CYS 14 HB2 CYS 14 14.815 -4.485 6.926 98 HB3 CYS 14 HB3 CYS 14 15.141 -4.092 5.216 99 H SER 15 H SER 15 16.654 -5.012 8.706 100 HA SER 15 HA SER 15 16.412 -7.953 9.184 101 HB2 SER 15 HB2 SER 15 18.524 -7.842 9.887 102 HB3 SER 15 HB3 SER 15 18.514 -6.094 10.038 103 HG SER 15 HG SER 15 17.001 -7.555 11.864 104 H GLN 16 H GLN 16 15.150 -4.915 9.543 105 HA GLN 16 HA GLN 16 13.096 -5.949 11.367 106 HB2 GLN 16 HB2 GLN 16 13.199 -3.923 12.833 107 HB3 GLN 16 HB3 GLN 16 14.594 -4.986 12.960 108 HG2 GLN 16 HG2 GLN 16 15.846 -3.433 11.457 109 HG3 GLN 16 HG3 GLN 16 14.519 -2.253 11.531 110 HE21 GLN 16 HE21 GLN 16 16.999 -1.515 12.373 111 HE22 GLN 16 HE22 GLN 16 17.056 -1.356 14.138 112 H ASP 17 H ASP 17 11.146 -4.475 11.219 113 HA ASP 17 HA ASP 17 10.632 -3.491 8.624 114 HB2 ASP 17 HB2 ASP 17 9.385 -2.926 11.327 115 HB3 ASP 17 HB3 ASP 17 8.765 -2.213 9.814 116 H SER 18 H SER 18 11.977 -1.875 11.501 117 HA SER 18 HA SER 18 11.593 0.815 10.661 118 HB2 SER 18 HB2 SER 18 14.004 0.494 12.158 119 HB3 SER 18 HB3 SER 18 12.420 1.135 12.674 120 HG SER 18 HG SER 18 13.350 -0.926 13.704 121 H ASP 19 H ASP 19 13.843 -1.558 9.429 122 HA ASP 19 HA ASP 19 15.940 0.343 8.699 123 HB2 ASP 19 HB2 ASP 19 15.294 -2.445 7.730 124 HB3 ASP 19 HB3 ASP 19 16.741 -1.529 7.159 125 H CYS 20 H CYS 20 12.923 -0.493 7.503 126 HA CYS 20 HA CYS 20 13.581 0.478 4.702 127 HB2 CYS 20 HB2 CYS 20 11.048 -0.741 5.909 128 HB3 CYS 20 HB3 CYS 20 11.241 -0.205 4.245 129 H LEU 21 H LEU 21 11.618 1.629 3.678 130 HA LEU 21 HA LEU 21 11.448 4.236 4.920 131 HB2 LEU 21 HB2 LEU 21 10.249 3.104 2.418 132 HB3 LEU 21 HB3 LEU 21 10.159 4.794 2.855 133 HG LEU 21 HG LEU 21 12.775 3.310 2.152 134 HD11 LEU 21 HD11 LEU 21 12.622 4.549 0.014 135 HD12 LEU 21 HD12 LEU 21 11.120 5.338 0.563 136 HD13 LEU 21 HD13 LEU 21 11.174 3.571 0.242 137 HD21 LEU 21 HD21 LEU 21 13.712 5.630 2.049 138 HD22 LEU 21 HD22 LEU 21 13.095 5.248 3.680 139 HD23 LEU 21 HD23 LEU 21 12.155 6.291 2.572 140 H ALA 22 H ALA 22 9.373 5.329 5.229 141 HA ALA 22 HA ALA 22 7.429 3.842 6.736 142 HB1 ALA 22 HB1 ALA 22 5.965 5.900 6.530 143 HB2 ALA 22 HB2 ALA 22 7.631 6.357 6.984 144 HB3 ALA 22 HB3 ALA 22 7.086 6.546 5.314 145 H GLY 23 H GLY 23 5.510 2.760 6.089 146 HA2 GLY 23 HA2 GLY 23 3.864 1.988 4.470 147 HA3 GLY 23 HA3 GLY 23 4.843 2.780 3.163 148 H CYS 24 H CYS 24 7.098 1.102 4.871 149 HA CYS 24 HA CYS 24 6.796 -1.323 3.114 150 HB2 CYS 24 HB2 CYS 24 9.241 0.242 4.025 151 HB3 CYS 24 HB3 CYS 24 9.297 -1.282 3.094 152 H VAL 25 H VAL 25 7.718 -3.224 4.012 153 HA VAL 25 HA VAL 25 8.137 -3.157 7.024 154 HB VAL 25 HB VAL 25 7.021 -5.456 7.088 155 HG11 VAL 25 HG11 VAL 25 4.694 -4.659 7.044 156 HG12 VAL 25 HG12 VAL 25 5.762 -3.487 7.853 157 HG13 VAL 25 HG13 VAL 25 5.201 -3.177 6.238 158 HG21 VAL 25 HG21 VAL 25 5.909 -4.618 4.314 159 HG22 VAL 25 HG22 VAL 25 7.243 -5.787 4.543 160 HG23 VAL 25 HG23 VAL 25 5.612 -6.153 5.177 161 H CYS 26 H CYS 26 9.178 -5.370 7.608 162 HA CYS 26 HA CYS 26 11.097 -6.051 5.452 163 HB2 CYS 26 HB2 CYS 26 12.122 -5.006 7.529 164 HB3 CYS 26 HB3 CYS 26 11.454 -6.386 8.427 165 H GLY 27 H GLY 27 11.199 -8.222 4.779 166 HA2 GLY 27 HA2 GLY 27 9.106 -9.877 6.117 167 HA3 GLY 27 HA3 GLY 27 9.733 -10.007 4.437 168 HA PRO 28 HA PRO 28 11.540 -13.253 7.485 169 HB2 PRO 28 HB2 PRO 28 10.417 -15.009 5.358 170 HB3 PRO 28 HB3 PRO 28 10.466 -15.276 7.130 171 HG2 PRO 28 HG2 PRO 28 8.201 -14.590 6.003 172 HG3 PRO 28 HG3 PRO 28 8.715 -13.767 7.471 173 HD2 PRO 28 HD2 PRO 28 8.948 -12.845 4.607 174 HD3 PRO 28 HD3 PRO 28 8.285 -11.961 6.086 175 H ASN 29 H ASN 29 11.774 -12.658 3.970 176 HA ASN 29 HA ASN 29 14.087 -14.438 3.670 177 HB2 ASN 29 HB2 ASN 29 12.923 -12.361 1.740 178 HB3 ASN 29 HB3 ASN 29 14.180 -13.543 1.427 179 HD21 ASN 29 HD21 ASN 29 11.219 -12.991 0.648 180 HD22 ASN 29 HD22 ASN 29 10.557 -14.601 0.663 181 H GLY 30 H GLY 30 13.680 -11.395 5.180 182 HA2 GLY 30 HA2 GLY 30 15.393 -10.002 5.942 183 HA3 GLY 30 HA3 GLY 30 16.609 -10.960 5.088 184 H PHE 31 H PHE 31 13.880 -9.868 3.360 185 HA PHE 31 HA PHE 31 15.324 -7.478 2.160 186 HB2 PHE 31 HB2 PHE 31 13.501 -9.523 0.774 187 HB3 PHE 31 HB3 PHE 31 14.098 -8.007 0.064 188 HD1 PHE 31 HD1 PHE 31 14.697 -11.501 0.352 189 HD2 PHE 31 HD2 PHE 31 16.796 -7.737 -0.021 190 HE1 PHE 31 HE1 PHE 31 16.641 -12.719 -0.453 191 HE2 PHE 31 HE2 PHE 31 18.815 -8.970 -0.826 192 HZ PHE 31 HZ PHE 31 18.665 -11.525 -1.095 193 H CYS 32 H CYS 32 14.069 -5.813 1.646 194 HA CYS 32 HA CYS 32 11.779 -5.375 3.307 195 HB2 CYS 32 HB2 CYS 32 13.656 -3.670 2.362 196 HB3 CYS 32 HB3 CYS 32 12.570 -3.636 0.944 197 H GLY 33 H GLY 33 9.661 -4.907 2.706 198 HA2 GLY 33 HA2 GLY 33 8.879 -5.638 -0.084 199 HA3 GLY 33 HA3 GLY 33 8.139 -6.570 1.218 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 6.189 4.507 -0.839 2 H2 GLY 1 H2 GLY 1 5.158 4.008 0.322 3 H3 GLY 1 H3 GLY 1 6.660 4.578 0.749 4 HA2 GLY 1 HA2 GLY 1 6.405 2.193 0.852 5 HA3 GLY 1 HA3 GLY 1 6.251 2.217 -0.915 6 H CYS 2 H CYS 2 8.224 0.885 -0.871 7 HA CYS 2 HA CYS 2 10.729 1.880 0.047 8 HB2 CYS 2 HB2 CYS 2 9.914 -0.227 -1.959 9 HB3 CYS 2 HB3 CYS 2 11.614 0.134 -1.697 10 HA PRO 3 HA PRO 3 11.747 4.649 -3.027 11 HB2 PRO 3 HB2 PRO 3 14.457 4.618 -3.362 12 HB3 PRO 3 HB3 PRO 3 13.647 5.199 -1.871 13 HG2 PRO 3 HG2 PRO 3 14.824 2.455 -2.415 14 HG3 PRO 3 HG3 PRO 3 15.137 3.585 -1.068 15 HD2 PRO 3 HD2 PRO 3 13.346 1.530 -0.910 16 HD3 PRO 3 HD3 PRO 3 13.087 3.106 -0.092 17 H ARG 4 H ARG 4 12.071 4.953 -5.238 18 HA ARG 4 HA ARG 4 12.792 2.592 -6.859 19 HB2 ARG 4 HB2 ARG 4 10.886 3.286 -8.403 20 HB3 ARG 4 HB3 ARG 4 10.587 2.354 -6.932 21 HG2 ARG 4 HG2 ARG 4 9.722 4.236 -5.784 22 HG3 ARG 4 HG3 ARG 4 10.163 5.305 -7.110 23 HD2 ARG 4 HD2 ARG 4 8.053 3.030 -7.300 24 HD3 ARG 4 HD3 ARG 4 7.715 4.777 -7.129 25 HE ARG 4 HE ARG 4 9.309 4.387 -9.424 26 HH11 ARG 4 HH11 ARG 4 6.095 3.478 -8.318 27 HH12 ARG 4 HH12 ARG 4 5.457 3.357 -9.975 28 HH21 ARG 4 HH21 ARG 4 8.470 4.214 -11.525 29 HH22 ARG 4 HH22 ARG 4 6.786 3.792 -11.786 30 HA PRO 5 HA PRO 5 14.921 6.417 -8.484 31 HB2 PRO 5 HB2 PRO 5 17.408 5.477 -8.635 32 HB3 PRO 5 HB3 PRO 5 16.705 6.042 -7.080 33 HG2 PRO 5 HG2 PRO 5 16.859 3.199 -8.088 34 HG3 PRO 5 HG3 PRO 5 17.418 3.892 -6.540 35 HD2 PRO 5 HD2 PRO 5 15.073 2.753 -6.731 36 HD3 PRO 5 HD3 PRO 5 15.350 4.212 -5.762 37 H ARG 6 H ARG 6 14.746 3.075 -9.523 38 HA ARG 6 HA ARG 6 15.247 4.016 -12.333 39 HB2 ARG 6 HB2 ARG 6 16.868 2.204 -11.284 40 HB3 ARG 6 HB3 ARG 6 15.517 1.093 -11.605 41 HG2 ARG 6 HG2 ARG 6 16.864 0.939 -13.516 42 HG3 ARG 6 HG3 ARG 6 15.607 2.064 -14.039 43 HD2 ARG 6 HD2 ARG 6 17.721 3.017 -14.753 44 HD3 ARG 6 HD3 ARG 6 17.026 4.039 -13.457 45 HE ARG 6 HE ARG 6 18.828 3.436 -12.042 46 HH11 ARG 6 HH11 ARG 6 18.916 1.357 -14.950 47 HH12 ARG 6 HH12 ARG 6 20.532 0.861 -14.634 48 HH21 ARG 6 HH21 ARG 6 20.946 2.745 -11.753 49 HH22 ARG 6 HH22 ARG 6 21.684 1.575 -12.866 50 H GLY 7 H GLY 7 13.493 1.747 -10.174 51 HA2 GLY 7 HA2 GLY 7 11.050 1.770 -10.224 52 HA3 GLY 7 HA3 GLY 7 11.125 1.903 -11.980 53 H ASP 8 H ASP 8 13.472 -0.035 -12.101 54 HA ASP 8 HA ASP 8 11.960 -2.533 -11.497 55 HB2 ASP 8 HB2 ASP 8 13.177 -3.602 -13.279 56 HB3 ASP 8 HB3 ASP 8 12.566 -2.085 -13.941 57 H ASN 9 H ASN 9 13.923 -0.684 -10.003 58 HA ASN 9 HA ASN 9 16.291 -2.335 -9.693 59 HB2 ASN 9 HB2 ASN 9 16.759 -0.651 -7.826 60 HB3 ASN 9 HB3 ASN 9 16.416 0.058 -9.430 61 HD21 ASN 9 HD21 ASN 9 15.260 -0.587 -6.187 62 HD22 ASN 9 HD22 ASN 9 13.925 0.565 -6.171 63 HA PRO 10 HA PRO 10 14.581 -5.309 -6.953 64 HB2 PRO 10 HB2 PRO 10 16.814 -6.265 -5.733 65 HB3 PRO 10 HB3 PRO 10 16.456 -6.534 -7.435 66 HG2 PRO 10 HG2 PRO 10 18.277 -4.510 -6.252 67 HG3 PRO 10 HG3 PRO 10 18.541 -5.653 -7.603 68 HD2 PRO 10 HD2 PRO 10 17.828 -3.072 -8.085 69 HD3 PRO 10 HD3 PRO 10 17.204 -4.421 -9.066 70 HA PRO 11 HA PRO 11 14.167 -3.623 -2.889 71 HB2 PRO 11 HB2 PRO 11 13.763 -5.734 -1.299 72 HB3 PRO 11 HB3 PRO 11 12.553 -5.247 -2.494 73 HG2 PRO 11 HG2 PRO 11 14.695 -7.344 -2.718 74 HG3 PRO 11 HG3 PRO 11 12.911 -7.522 -3.064 75 HD2 PRO 11 HD2 PRO 11 14.686 -7.059 -5.050 76 HD3 PRO 11 HD3 PRO 11 13.058 -6.306 -5.097 77 H LEU 12 H LEU 12 15.165 -3.162 -1.019 78 HA LEU 12 HA LEU 12 18.048 -3.890 -0.781 79 HB2 LEU 12 HB2 LEU 12 18.053 -2.253 1.035 80 HB3 LEU 12 HB3 LEU 12 17.293 -1.520 -0.370 81 HG LEU 12 HG LEU 12 15.610 -2.680 1.828 82 HD11 LEU 12 HD11 LEU 12 15.636 -0.598 3.020 83 HD12 LEU 12 HD12 LEU 12 16.892 0.058 1.892 84 HD13 LEU 12 HD13 LEU 12 17.261 -1.342 2.954 85 HD21 LEU 12 HD21 LEU 12 13.990 -0.870 1.160 86 HD22 LEU 12 HD22 LEU 12 14.387 -1.899 -0.198 87 HD23 LEU 12 HD23 LEU 12 15.135 -0.300 -0.056 88 H THR 13 H THR 13 18.922 -4.690 1.237 89 HA THR 13 HA THR 13 17.319 -6.824 2.418 90 HB THR 13 HB THR 13 19.268 -6.717 4.100 91 HG1 THR 13 HG1 THR 13 21.053 -5.651 3.399 92 HG21 THR 13 HG21 THR 13 20.524 -8.169 2.583 93 HG22 THR 13 HG22 THR 13 19.733 -7.381 1.161 94 HG23 THR 13 HG23 THR 13 18.767 -8.397 2.292 95 H CYS 14 H CYS 14 16.816 -7.053 4.652 96 HA CYS 14 HA CYS 14 17.016 -4.602 6.329 97 HB2 CYS 14 HB2 CYS 14 14.643 -4.729 6.975 98 HB3 CYS 14 HB3 CYS 14 14.734 -4.647 5.220 99 H SER 15 H SER 15 16.609 -5.036 8.613 100 HA SER 15 HA SER 15 16.642 -7.900 9.401 101 HB2 SER 15 HB2 SER 15 18.932 -7.560 9.652 102 HB3 SER 15 HB3 SER 15 18.738 -5.809 9.848 103 HG SER 15 HG SER 15 17.871 -7.750 11.761 104 H GLN 16 H GLN 16 15.602 -4.696 9.670 105 HA GLN 16 HA GLN 16 13.691 -5.595 11.765 106 HB2 GLN 16 HB2 GLN 16 13.812 -3.343 12.793 107 HB3 GLN 16 HB3 GLN 16 15.267 -4.273 12.999 108 HG2 GLN 16 HG2 GLN 16 16.361 -2.922 11.240 109 HG3 GLN 16 HG3 GLN 16 14.897 -1.962 11.025 110 HE21 GLN 16 HE21 GLN 16 17.454 -0.889 11.730 111 HE22 GLN 16 HE22 GLN 16 17.335 -0.220 13.388 112 H ASP 17 H ASP 17 11.714 -4.210 11.620 113 HA ASP 17 HA ASP 17 10.874 -3.588 8.990 114 HB2 ASP 17 HB2 ASP 17 9.294 -4.226 10.613 115 HB3 ASP 17 HB3 ASP 17 9.901 -3.046 11.788 116 H SER 18 H SER 18 12.345 -1.633 11.536 117 HA SER 18 HA SER 18 11.657 0.910 10.310 118 HB2 SER 18 HB2 SER 18 12.461 0.451 12.737 119 HB3 SER 18 HB3 SER 18 14.107 0.489 12.044 120 HG SER 18 HG SER 18 13.693 2.556 12.640 121 H ASP 19 H ASP 19 13.872 -1.449 9.180 122 HA ASP 19 HA ASP 19 15.911 0.348 8.179 123 HB2 ASP 19 HB2 ASP 19 15.074 -2.447 7.401 124 HB3 ASP 19 HB3 ASP 19 16.444 -1.559 6.591 125 H CYS 20 H CYS 20 12.738 -0.538 7.151 126 HA CYS 20 HA CYS 20 13.246 0.405 4.337 127 HB2 CYS 20 HB2 CYS 20 10.558 -0.485 5.417 128 HB3 CYS 20 HB3 CYS 20 11.243 -0.574 3.793 129 H LEU 21 H LEU 21 11.578 1.796 3.338 130 HA LEU 21 HA LEU 21 11.149 4.153 4.997 131 HB2 LEU 21 HB2 LEU 21 10.569 3.487 2.132 132 HB3 LEU 21 HB3 LEU 21 10.074 5.010 2.849 133 HG LEU 21 HG LEU 21 12.938 4.115 2.372 134 HD11 LEU 21 HD11 LEU 21 12.989 5.885 0.632 135 HD12 LEU 21 HD12 LEU 21 11.335 6.410 1.091 136 HD13 LEU 21 HD13 LEU 21 11.598 4.818 0.325 137 HD21 LEU 21 HD21 LEU 21 13.549 6.431 3.097 138 HD22 LEU 21 HD22 LEU 21 12.782 5.457 4.419 139 HD23 LEU 21 HD23 LEU 21 11.842 6.713 3.534 140 H ALA 22 H ALA 22 9.021 5.163 5.132 141 HA ALA 22 HA ALA 22 7.037 3.506 6.198 142 HB1 ALA 22 HB1 ALA 22 6.629 6.269 4.826 143 HB2 ALA 22 HB2 ALA 22 5.459 5.536 5.915 144 HB3 ALA 22 HB3 ALA 22 7.062 6.015 6.530 145 H GLY 23 H GLY 23 5.382 2.263 5.382 146 HA2 GLY 23 HA2 GLY 23 3.857 1.587 3.553 147 HA3 GLY 23 HA3 GLY 23 4.988 2.277 2.410 148 H CYS 24 H CYS 24 7.204 0.793 4.180 149 HA CYS 24 HA CYS 24 6.825 -1.824 2.753 150 HB2 CYS 24 HB2 CYS 24 9.093 0.111 2.956 151 HB3 CYS 24 HB3 CYS 24 9.501 -1.614 3.008 152 H VAL 25 H VAL 25 7.550 -3.621 3.897 153 HA VAL 25 HA VAL 25 8.145 -3.123 6.823 154 HB VAL 25 HB VAL 25 6.957 -5.288 7.311 155 HG11 VAL 25 HG11 VAL 25 5.780 -2.961 7.441 156 HG12 VAL 25 HG12 VAL 25 5.025 -3.412 5.897 157 HG13 VAL 25 HG13 VAL 25 4.755 -4.403 7.359 158 HG21 VAL 25 HG21 VAL 25 7.084 -6.293 4.963 159 HG22 VAL 25 HG22 VAL 25 5.417 -6.179 5.492 160 HG23 VAL 25 HG23 VAL 25 6.037 -4.986 4.368 161 H CYS 26 H CYS 26 9.199 -5.152 7.760 162 HA CYS 26 HA CYS 26 11.237 -6.023 5.830 163 HB2 CYS 26 HB2 CYS 26 12.030 -5.060 7.970 164 HB3 CYS 26 HB3 CYS 26 11.231 -6.388 8.832 165 H GLY 27 H GLY 27 11.109 -7.973 4.821 166 HA2 GLY 27 HA2 GLY 27 9.006 -9.795 5.811 167 HA3 GLY 27 HA3 GLY 27 9.832 -9.770 4.229 168 HA PRO 28 HA PRO 28 11.395 -13.170 7.095 169 HB2 PRO 28 HB2 PRO 28 10.489 -15.404 5.895 170 HB3 PRO 28 HB3 PRO 28 9.448 -14.367 6.897 171 HG2 PRO 28 HG2 PRO 28 9.829 -14.299 3.892 172 HG3 PRO 28 HG3 PRO 28 8.300 -14.551 4.825 173 HD2 PRO 28 HD2 PRO 28 9.020 -12.090 3.894 174 HD3 PRO 28 HD3 PRO 28 8.229 -12.337 5.528 175 H ASN 29 H ASN 29 11.731 -12.524 3.624 176 HA ASN 29 HA ASN 29 13.926 -14.433 3.241 177 HB2 ASN 29 HB2 ASN 29 13.031 -12.040 1.509 178 HB3 ASN 29 HB3 ASN 29 14.269 -13.201 1.088 179 HD21 ASN 29 HD21 ASN 29 13.560 -14.620 -0.376 180 HD22 ASN 29 HD22 ASN 29 11.897 -15.272 -0.377 181 H GLY 30 H GLY 30 13.663 -11.517 4.979 182 HA2 GLY 30 HA2 GLY 30 15.362 -10.300 5.992 183 HA3 GLY 30 HA3 GLY 30 16.608 -11.152 5.013 184 H PHE 31 H PHE 31 13.860 -9.811 3.486 185 HA PHE 31 HA PHE 31 15.385 -7.361 2.522 186 HB2 PHE 31 HB2 PHE 31 13.788 -9.396 0.839 187 HB3 PHE 31 HB3 PHE 31 14.156 -7.747 0.322 188 HD1 PHE 31 HD1 PHE 31 15.749 -11.020 1.198 189 HD2 PHE 31 HD2 PHE 31 16.319 -7.125 -0.567 190 HE1 PHE 31 HE1 PHE 31 17.930 -11.761 0.377 191 HE2 PHE 31 HE2 PHE 31 18.549 -7.832 -1.391 192 HZ PHE 31 HZ PHE 31 19.309 -10.228 -0.937 193 H CYS 32 H CYS 32 14.229 -5.565 2.089 194 HA CYS 32 HA CYS 32 11.748 -5.173 3.584 195 HB2 CYS 32 HB2 CYS 32 13.471 -3.529 1.669 196 HB3 CYS 32 HB3 CYS 32 11.863 -2.984 2.215 197 H GLY 33 H GLY 33 9.702 -4.907 2.744 198 HA2 GLY 33 HA2 GLY 33 9.094 -4.901 -0.067 199 HA3 GLY 33 HA3 GLY 33 9.037 -6.571 0.531 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 1.369 -0.836 1.438 2 H2 GLY 1 H2 GLY 1 2.055 0.438 2.147 3 H3 GLY 1 H3 GLY 1 1.511 0.569 0.599 4 HA2 GLY 1 HA2 GLY 1 3.620 -1.219 1.428 5 HA3 GLY 1 HA3 GLY 1 3.063 -0.855 -0.220 6 H CYS 2 H CYS 2 5.576 -0.367 -0.280 7 HA CYS 2 HA CYS 2 6.536 1.948 0.984 8 HB2 CYS 2 HB2 CYS 2 7.308 0.572 -1.623 9 HB3 CYS 2 HB3 CYS 2 8.251 1.878 -0.889 10 HA PRO 3 HA PRO 3 4.756 5.161 -1.273 11 HB2 PRO 3 HB2 PRO 3 7.180 6.797 -0.975 12 HB3 PRO 3 HB3 PRO 3 5.506 7.131 -0.432 13 HG2 PRO 3 HG2 PRO 3 7.496 6.534 1.326 14 HG3 PRO 3 HG3 PRO 3 5.819 5.873 1.532 15 HD2 PRO 3 HD2 PRO 3 8.248 4.542 0.332 16 HD3 PRO 3 HD3 PRO 3 7.070 3.906 1.552 17 H ARG 4 H ARG 4 4.593 5.814 -3.316 18 HA ARG 4 HA ARG 4 4.915 5.236 -5.459 19 HB2 ARG 4 HB2 ARG 4 6.957 7.253 -4.967 20 HB3 ARG 4 HB3 ARG 4 6.347 6.974 -6.456 21 HG2 ARG 4 HG2 ARG 4 4.533 7.722 -4.408 22 HG3 ARG 4 HG3 ARG 4 5.467 8.890 -5.064 23 HD2 ARG 4 HD2 ARG 4 4.580 8.469 -7.191 24 HD3 ARG 4 HD3 ARG 4 3.744 7.185 -6.625 25 HE ARG 4 HE ARG 4 2.153 8.553 -5.681 26 HH11 ARG 4 HH11 ARG 4 1.055 10.531 -5.662 27 HH12 ARG 4 HH12 ARG 4 1.814 11.950 -6.303 28 HH21 ARG 4 HH21 ARG 4 4.777 10.311 -7.189 29 HH22 ARG 4 HH22 ARG 4 3.935 11.824 -7.173 30 HA PRO 5 HA PRO 5 8.644 2.662 -5.421 31 HB2 PRO 5 HB2 PRO 5 7.621 0.225 -6.232 32 HB3 PRO 5 HB3 PRO 5 7.398 0.822 -4.559 33 HG2 PRO 5 HG2 PRO 5 5.478 1.051 -6.901 34 HG3 PRO 5 HG3 PRO 5 5.172 0.376 -5.258 35 HD2 PRO 5 HD2 PRO 5 4.528 2.920 -5.846 36 HD3 PRO 5 HD3 PRO 5 5.196 2.501 -4.253 37 H ARG 6 H ARG 6 10.022 2.163 -7.258 38 HA ARG 6 HA ARG 6 9.058 3.363 -9.726 39 HB2 ARG 6 HB2 ARG 6 11.423 3.504 -8.908 40 HB3 ARG 6 HB3 ARG 6 11.630 1.839 -9.416 41 HG2 ARG 6 HG2 ARG 6 12.452 2.955 -11.200 42 HG3 ARG 6 HG3 ARG 6 10.809 2.599 -11.730 43 HD2 ARG 6 HD2 ARG 6 10.015 4.813 -11.093 44 HD3 ARG 6 HD3 ARG 6 11.685 5.315 -10.647 45 HE ARG 6 HE ARG 6 11.311 4.260 -13.347 46 HH11 ARG 6 HH11 ARG 6 11.449 7.146 -11.398 47 HH12 ARG 6 HH12 ARG 6 11.700 8.205 -12.765 48 HH21 ARG 6 HH21 ARG 6 11.687 5.621 -15.061 49 HH22 ARG 6 HH22 ARG 6 11.877 7.289 -14.792 50 H GLY 7 H GLY 7 9.865 0.133 -8.579 51 HA2 GLY 7 HA2 GLY 7 8.735 -1.861 -9.132 52 HA3 GLY 7 HA3 GLY 7 8.132 -1.103 -10.618 53 H ASP 8 H ASP 8 11.164 -0.115 -10.646 54 HA ASP 8 HA ASP 8 12.193 -2.370 -12.249 55 HB2 ASP 8 HB2 ASP 8 12.138 -0.016 -13.221 56 HB3 ASP 8 HB3 ASP 8 13.183 0.479 -11.873 57 H ASN 9 H ASN 9 12.460 -0.660 -9.292 58 HA ASN 9 HA ASN 9 15.254 -1.048 -8.802 59 HB2 ASN 9 HB2 ASN 9 14.555 -0.289 -6.485 60 HB3 ASN 9 HB3 ASN 9 13.985 0.753 -7.823 61 HD21 ASN 9 HD21 ASN 9 13.148 -1.346 -5.213 62 HD22 ASN 9 HD22 ASN 9 11.408 -1.217 -5.349 63 HA PRO 10 HA PRO 10 15.097 -5.286 -7.299 64 HB2 PRO 10 HB2 PRO 10 17.567 -5.434 -6.219 65 HB3 PRO 10 HB3 PRO 10 17.336 -5.429 -7.956 66 HG2 PRO 10 HG2 PRO 10 18.162 -3.139 -6.219 67 HG3 PRO 10 HG3 PRO 10 18.778 -3.693 -7.796 68 HD2 PRO 10 HD2 PRO 10 16.994 -1.638 -7.571 69 HD3 PRO 10 HD3 PRO 10 17.005 -2.773 -8.957 70 HA PRO 11 HA PRO 11 14.175 -4.602 -3.034 71 HB2 PRO 11 HB2 PRO 11 14.521 -6.984 -1.846 72 HB3 PRO 11 HB3 PRO 11 13.205 -6.729 -3.040 73 HG2 PRO 11 HG2 PRO 11 15.974 -7.943 -3.441 74 HG3 PRO 11 HG3 PRO 11 14.374 -8.620 -3.978 75 HD2 PRO 11 HD2 PRO 11 15.947 -7.210 -5.670 76 HD3 PRO 11 HD3 PRO 11 14.160 -7.140 -5.763 77 H LEU 12 H LEU 12 15.031 -4.151 -1.040 78 HA LEU 12 HA LEU 12 18.050 -4.310 -0.902 79 HB2 LEU 12 HB2 LEU 12 17.927 -2.408 0.599 80 HB3 LEU 12 HB3 LEU 12 17.165 -2.011 -0.939 81 HG LEU 12 HG LEU 12 15.063 -2.858 0.677 82 HD11 LEU 12 HD11 LEU 12 16.842 -1.050 2.316 83 HD12 LEU 12 HD12 LEU 12 16.439 -2.723 2.678 84 HD13 LEU 12 HD13 LEU 12 15.170 -1.504 2.685 85 HD21 LEU 12 HD21 LEU 12 16.031 -0.066 0.002 86 HD22 LEU 12 HD22 LEU 12 14.378 -0.497 0.499 87 HD23 LEU 12 HD23 LEU 12 15.011 -1.125 -1.031 88 H THR 13 H THR 13 19.014 -4.855 1.144 89 HA THR 13 HA THR 13 17.495 -6.818 2.554 90 HB THR 13 HB THR 13 19.609 -6.655 4.060 91 HG1 THR 13 HG1 THR 13 21.385 -5.817 2.909 92 HG21 THR 13 HG21 THR 13 20.649 -8.245 2.643 93 HG22 THR 13 HG22 THR 13 19.800 -7.609 1.185 94 HG23 THR 13 HG23 THR 13 18.880 -8.448 2.452 95 H CYS 14 H CYS 14 16.937 -6.939 4.692 96 HA CYS 14 HA CYS 14 17.259 -4.561 6.413 97 HB2 CYS 14 HB2 CYS 14 14.823 -4.499 6.956 98 HB3 CYS 14 HB3 CYS 14 15.074 -4.185 5.234 99 H SER 15 H SER 15 16.447 -5.111 8.676 100 HA SER 15 HA SER 15 16.269 -8.032 9.171 101 HB2 SER 15 HB2 SER 15 18.345 -8.001 9.960 102 HB3 SER 15 HB3 SER 15 18.387 -6.231 10.021 103 HG SER 15 HG SER 15 17.942 -8.004 12.014 104 H GLN 16 H GLN 16 15.415 -4.738 9.782 105 HA GLN 16 HA GLN 16 13.120 -5.713 11.403 106 HB2 GLN 16 HB2 GLN 16 13.196 -3.601 12.702 107 HB3 GLN 16 HB3 GLN 16 14.566 -4.649 13.007 108 HG2 GLN 16 HG2 GLN 16 15.962 -3.251 11.472 109 HG3 GLN 16 HG3 GLN 16 14.610 -2.124 11.246 110 HE21 GLN 16 HE21 GLN 16 16.727 -0.867 12.148 111 HE22 GLN 16 HE22 GLN 16 16.661 -0.564 13.912 112 H ASP 17 H ASP 17 11.311 -3.916 11.122 113 HA ASP 17 HA ASP 17 11.117 -3.261 8.330 114 HB2 ASP 17 HB2 ASP 17 8.927 -2.630 8.782 115 HB3 ASP 17 HB3 ASP 17 9.221 -3.935 9.932 116 H SER 18 H SER 18 12.088 -1.550 11.241 117 HA SER 18 HA SER 18 11.829 1.133 10.270 118 HB2 SER 18 HB2 SER 18 14.111 0.820 11.927 119 HB3 SER 18 HB3 SER 18 12.525 1.485 12.357 120 HG SER 18 HG SER 18 13.152 -0.450 13.561 121 H ASP 19 H ASP 19 13.975 -1.356 9.153 122 HA ASP 19 HA ASP 19 16.209 0.350 8.433 123 HB2 ASP 19 HB2 ASP 19 15.354 -2.399 7.474 124 HB3 ASP 19 HB3 ASP 19 16.878 -1.601 6.956 125 H CYS 20 H CYS 20 13.082 -0.057 7.242 126 HA CYS 20 HA CYS 20 13.919 0.851 4.482 127 HB2 CYS 20 HB2 CYS 20 12.694 -1.430 5.062 128 HB3 CYS 20 HB3 CYS 20 11.255 -0.425 5.047 129 H LEU 21 H LEU 21 11.442 1.657 3.522 130 HA LEU 21 HA LEU 21 11.290 4.287 4.796 131 HB2 LEU 21 HB2 LEU 21 9.883 3.186 2.405 132 HB3 LEU 21 HB3 LEU 21 9.826 4.869 2.886 133 HG LEU 21 HG LEU 21 12.307 3.457 1.904 134 HD11 LEU 21 HD11 LEU 21 12.032 4.819 -0.187 135 HD12 LEU 21 HD12 LEU 21 10.562 5.551 0.514 136 HD13 LEU 21 HD13 LEU 21 10.582 3.822 0.090 137 HD21 LEU 21 HD21 LEU 21 11.793 6.353 2.679 138 HD22 LEU 21 HD22 LEU 21 13.225 5.838 1.762 139 HD23 LEU 21 HD23 LEU 21 12.958 5.227 3.417 140 H ALA 22 H ALA 22 9.168 5.272 5.329 141 HA ALA 22 HA ALA 22 7.622 3.541 7.102 142 HB1 ALA 22 HB1 ALA 22 6.143 5.588 7.401 143 HB2 ALA 22 HB2 ALA 22 7.868 6.080 7.499 144 HB3 ALA 22 HB3 ALA 22 6.912 6.390 6.029 145 H GLY 23 H GLY 23 5.790 2.356 6.652 146 HA2 GLY 23 HA2 GLY 23 3.799 1.779 5.317 147 HA3 GLY 23 HA3 GLY 23 4.473 2.632 3.961 148 H CYS 24 H CYS 24 7.126 1.095 4.823 149 HA CYS 24 HA CYS 24 6.630 -1.223 3.010 150 HB2 CYS 24 HB2 CYS 24 9.177 -0.099 4.234 151 HB3 CYS 24 HB3 CYS 24 9.076 -1.405 3.039 152 H VAL 25 H VAL 25 7.756 -3.289 3.777 153 HA VAL 25 HA VAL 25 7.731 -3.500 6.802 154 HB VAL 25 HB VAL 25 6.861 -5.876 6.504 155 HG11 VAL 25 HG11 VAL 25 5.403 -3.861 7.153 156 HG12 VAL 25 HG12 VAL 25 4.821 -3.902 5.463 157 HG13 VAL 25 HG13 VAL 25 4.574 -5.321 6.551 158 HG21 VAL 25 HG21 VAL 25 5.585 -6.331 4.331 159 HG22 VAL 25 HG22 VAL 25 6.197 -4.802 3.670 160 HG23 VAL 25 HG23 VAL 25 7.316 -6.150 4.028 161 H CYS 26 H CYS 26 8.899 -5.651 7.403 162 HA CYS 26 HA CYS 26 11.085 -6.127 5.466 163 HB2 CYS 26 HB2 CYS 26 11.896 -4.997 7.547 164 HB3 CYS 26 HB3 CYS 26 11.276 -6.320 8.480 165 H GLY 27 H GLY 27 11.045 -8.187 4.591 166 HA2 GLY 27 HA2 GLY 27 9.002 -9.963 5.865 167 HA3 GLY 27 HA3 GLY 27 9.674 -10.059 4.231 168 HA PRO 28 HA PRO 28 11.419 -13.391 7.180 169 HB2 PRO 28 HB2 PRO 28 10.361 -15.115 5.002 170 HB3 PRO 28 HB3 PRO 28 10.291 -15.372 6.758 171 HG2 PRO 28 HG2 PRO 28 8.122 -14.692 5.382 172 HG3 PRO 28 HG3 PRO 28 8.496 -13.889 6.971 173 HD2 PRO 28 HD2 PRO 28 8.921 -12.867 4.171 174 HD3 PRO 28 HD3 PRO 28 8.220 -12.059 5.663 175 H ASN 29 H ASN 29 11.769 -12.594 3.745 176 HA ASN 29 HA ASN 29 14.069 -14.380 3.352 177 HB2 ASN 29 HB2 ASN 29 12.425 -13.455 1.558 178 HB3 ASN 29 HB3 ASN 29 13.414 -11.964 1.568 179 HD21 ASN 29 HD21 ASN 29 14.044 -12.410 -0.672 180 HD22 ASN 29 HD22 ASN 29 15.186 -13.708 -1.043 181 H GLY 30 H GLY 30 13.634 -11.478 5.104 182 HA2 GLY 30 HA2 GLY 30 15.242 -10.088 6.050 183 HA3 GLY 30 HA3 GLY 30 16.560 -11.011 5.241 184 H PHE 31 H PHE 31 13.865 -9.790 3.480 185 HA PHE 31 HA PHE 31 15.391 -7.388 2.429 186 HB2 PHE 31 HB2 PHE 31 13.875 -9.557 0.879 187 HB3 PHE 31 HB3 PHE 31 14.170 -7.932 0.233 188 HD1 PHE 31 HD1 PHE 31 15.784 -11.155 1.104 189 HD2 PHE 31 HD2 PHE 31 16.413 -7.188 -0.511 190 HE1 PHE 31 HE1 PHE 31 17.965 -11.863 0.261 191 HE2 PHE 31 HE2 PHE 31 18.645 -7.873 -1.340 192 HZ PHE 31 HZ PHE 31 19.366 -10.302 -1.006 193 H CYS 32 H CYS 32 14.185 -5.683 1.945 194 HA CYS 32 HA CYS 32 11.766 -5.279 3.474 195 HB2 CYS 32 HB2 CYS 32 13.512 -3.427 2.990 196 HB3 CYS 32 HB3 CYS 32 13.063 -3.547 1.306 197 H GLY 33 H GLY 33 9.754 -5.072 2.818 198 HA2 GLY 33 HA2 GLY 33 9.131 -5.799 -0.047 199 HA3 GLY 33 HA3 GLY 33 8.104 -6.213 1.327 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 5.804 5.448 -1.451 2 H2 GLY 1 H2 GLY 1 5.241 5.552 0.071 3 H3 GLY 1 H3 GLY 1 6.824 5.945 -0.240 4 HA2 GLY 1 HA2 GLY 1 6.402 3.821 0.821 5 HA3 GLY 1 HA3 GLY 1 5.760 3.293 -0.747 6 H CYS 2 H CYS 2 7.669 1.721 -0.682 7 HA CYS 2 HA CYS 2 10.337 2.750 -0.796 8 HB2 CYS 2 HB2 CYS 2 9.049 0.073 -1.431 9 HB3 CYS 2 HB3 CYS 2 10.780 0.356 -1.692 10 HA PRO 3 HA PRO 3 10.372 3.915 -4.857 11 HB2 PRO 3 HB2 PRO 3 12.973 3.838 -5.663 12 HB3 PRO 3 HB3 PRO 3 12.381 4.942 -4.408 13 HG2 PRO 3 HG2 PRO 3 13.741 2.280 -4.067 14 HG3 PRO 3 HG3 PRO 3 14.160 3.883 -3.400 15 HD2 PRO 3 HD2 PRO 3 12.674 2.035 -2.015 16 HD3 PRO 3 HD3 PRO 3 12.410 3.798 -1.856 17 H ARG 4 H ARG 4 10.095 3.208 -6.921 18 HA ARG 4 HA ARG 4 11.164 0.573 -7.751 19 HB2 ARG 4 HB2 ARG 4 8.850 0.029 -8.716 20 HB3 ARG 4 HB3 ARG 4 9.126 -0.200 -6.964 21 HG2 ARG 4 HG2 ARG 4 7.953 1.789 -6.423 22 HG3 ARG 4 HG3 ARG 4 7.680 2.156 -8.166 23 HD2 ARG 4 HD2 ARG 4 6.413 -0.094 -8.288 24 HD3 ARG 4 HD3 ARG 4 6.618 -0.255 -6.558 25 HE ARG 4 HE ARG 4 5.421 2.309 -7.273 26 HH11 ARG 4 HH11 ARG 4 4.702 -1.111 -6.889 27 HH12 ARG 4 HH12 ARG 4 3.003 -0.875 -6.629 28 HH21 ARG 4 HH21 ARG 4 3.223 2.559 -6.930 29 HH22 ARG 4 HH22 ARG 4 2.165 1.199 -6.636 30 HA PRO 5 HA PRO 5 11.144 4.091 -10.850 31 HB2 PRO 5 HB2 PRO 5 13.729 4.212 -11.477 32 HB3 PRO 5 HB3 PRO 5 13.054 5.044 -10.032 33 HG2 PRO 5 HG2 PRO 5 14.389 2.355 -10.143 34 HG3 PRO 5 HG3 PRO 5 14.722 3.746 -9.095 35 HD2 PRO 5 HD2 PRO 5 13.198 1.768 -8.251 36 HD3 PRO 5 HD3 PRO 5 12.819 3.477 -7.911 37 H ARG 6 H ARG 6 12.219 0.814 -10.909 38 HA ARG 6 HA ARG 6 12.043 0.858 -13.920 39 HB2 ARG 6 HB2 ARG 6 13.744 -1.053 -12.252 40 HB3 ARG 6 HB3 ARG 6 13.635 -0.936 -14.041 41 HG2 ARG 6 HG2 ARG 6 14.467 1.434 -13.782 42 HG3 ARG 6 HG3 ARG 6 14.837 0.952 -12.089 43 HD2 ARG 6 HD2 ARG 6 16.068 0.148 -14.657 44 HD3 ARG 6 HD3 ARG 6 16.860 0.516 -13.121 45 HE ARG 6 HE ARG 6 15.276 -1.982 -13.350 46 HH11 ARG 6 HH11 ARG 6 18.476 -0.513 -13.289 47 HH12 ARG 6 HH12 ARG 6 19.272 -2.023 -13.066 48 HH21 ARG 6 HH21 ARG 6 16.337 -3.927 -13.147 49 HH22 ARG 6 HH22 ARG 6 18.083 -3.990 -13.020 50 H GLY 7 H GLY 7 11.275 -0.778 -10.856 51 HA2 GLY 7 HA2 GLY 7 9.165 -1.845 -10.521 52 HA3 GLY 7 HA3 GLY 7 9.019 -2.023 -12.295 53 H ASP 8 H ASP 8 11.932 -2.916 -12.303 54 HA ASP 8 HA ASP 8 11.557 -5.679 -11.265 55 HB2 ASP 8 HB2 ASP 8 12.987 -6.483 -12.981 56 HB3 ASP 8 HB3 ASP 8 11.923 -5.342 -13.777 57 H ASN 9 H ASN 9 12.857 -2.863 -10.379 58 HA ASN 9 HA ASN 9 15.614 -3.615 -9.955 59 HB2 ASN 9 HB2 ASN 9 15.548 -1.504 -8.488 60 HB3 ASN 9 HB3 ASN 9 15.016 -1.301 -10.143 61 HD21 ASN 9 HD21 ASN 9 14.126 -1.573 -6.791 62 HD22 ASN 9 HD22 ASN 9 12.497 -0.856 -6.942 63 HA PRO 10 HA PRO 10 14.721 -6.390 -6.643 64 HB2 PRO 10 HB2 PRO 10 17.182 -6.643 -5.458 65 HB3 PRO 10 HB3 PRO 10 16.820 -7.314 -7.053 66 HG2 PRO 10 HG2 PRO 10 18.253 -4.749 -6.443 67 HG3 PRO 10 HG3 PRO 10 18.628 -6.038 -7.591 68 HD2 PRO 10 HD2 PRO 10 17.356 -3.787 -8.388 69 HD3 PRO 10 HD3 PRO 10 16.986 -5.371 -9.108 70 HA PRO 11 HA PRO 11 14.039 -3.983 -2.974 71 HB2 PRO 11 HB2 PRO 11 13.704 -5.901 -1.107 72 HB3 PRO 11 HB3 PRO 11 12.509 -5.682 -2.396 73 HG2 PRO 11 HG2 PRO 11 14.794 -7.601 -2.229 74 HG3 PRO 11 HG3 PRO 11 13.049 -7.947 -2.628 75 HD2 PRO 11 HD2 PRO 11 14.904 -7.679 -4.549 76 HD3 PRO 11 HD3 PRO 11 13.243 -7.085 -4.787 77 H LEU 12 H LEU 12 14.960 -3.257 -1.045 78 HA LEU 12 HA LEU 12 17.861 -3.704 -0.765 79 HB2 LEU 12 HB2 LEU 12 17.679 -2.093 1.102 80 HB3 LEU 12 HB3 LEU 12 17.016 -1.455 -0.426 81 HG LEU 12 HG LEU 12 14.841 -2.566 1.104 82 HD11 LEU 12 HD11 LEU 12 14.819 -1.086 3.002 83 HD12 LEU 12 HD12 LEU 12 16.492 -0.507 2.609 84 HD13 LEU 12 HD13 LEU 12 16.209 -2.208 3.076 85 HD21 LEU 12 HD21 LEU 12 15.613 0.289 0.318 86 HD22 LEU 12 HD22 LEU 12 13.978 -0.314 0.749 87 HD23 LEU 12 HD23 LEU 12 14.749 -0.883 -0.725 88 H THR 13 H THR 13 18.875 -4.375 1.248 89 HA THR 13 HA THR 13 17.481 -6.651 2.432 90 HB THR 13 HB THR 13 19.534 -6.623 3.936 91 HG1 THR 13 HG1 THR 13 21.242 -5.290 3.300 92 HG21 THR 13 HG21 THR 13 20.926 -7.579 2.161 93 HG22 THR 13 HG22 THR 13 20.023 -6.662 0.909 94 HG23 THR 13 HG23 THR 13 19.207 -7.969 1.816 95 H CYS 14 H CYS 14 16.963 -6.994 4.623 96 HA CYS 14 HA CYS 14 17.091 -4.623 6.418 97 HB2 CYS 14 HB2 CYS 14 14.681 -4.596 6.866 98 HB3 CYS 14 HB3 CYS 14 14.939 -4.328 5.134 99 H SER 15 H SER 15 16.234 -5.278 8.663 100 HA SER 15 HA SER 15 16.020 -8.206 9.035 101 HB2 SER 15 HB2 SER 15 18.140 -8.201 9.831 102 HB3 SER 15 HB3 SER 15 18.167 -6.477 10.082 103 HG SER 15 HG SER 15 18.137 -7.313 12.099 104 H GLN 16 H GLN 16 15.307 -4.889 9.835 105 HA GLN 16 HA GLN 16 12.983 -5.906 11.435 106 HB2 GLN 16 HB2 GLN 16 13.158 -3.928 12.837 107 HB3 GLN 16 HB3 GLN 16 14.500 -5.021 13.055 108 HG2 GLN 16 HG2 GLN 16 15.902 -3.520 11.614 109 HG3 GLN 16 HG3 GLN 16 14.599 -2.364 11.539 110 HE21 GLN 16 HE21 GLN 16 16.778 -1.296 12.572 111 HE22 GLN 16 HE22 GLN 16 16.725 -1.195 14.361 112 H ASP 17 H ASP 17 11.150 -4.289 11.254 113 HA ASP 17 HA ASP 17 10.777 -3.267 8.683 114 HB2 ASP 17 HB2 ASP 17 9.495 -2.468 11.307 115 HB3 ASP 17 HB3 ASP 17 8.871 -2.059 9.736 116 H SER 18 H SER 18 12.198 -1.783 11.531 117 HA SER 18 HA SER 18 12.066 0.968 10.656 118 HB2 SER 18 HB2 SER 18 14.515 0.181 12.095 119 HB3 SER 18 HB3 SER 18 13.233 1.358 12.536 120 HG SER 18 HG SER 18 13.456 -0.666 13.850 121 H ASP 19 H ASP 19 13.978 -1.591 9.296 122 HA ASP 19 HA ASP 19 16.197 0.118 8.416 123 HB2 ASP 19 HB2 ASP 19 15.257 -2.643 7.587 124 HB3 ASP 19 HB3 ASP 19 16.756 -1.820 6.938 125 H CYS 20 H CYS 20 12.988 -0.550 7.398 126 HA CYS 20 HA CYS 20 13.543 0.184 4.530 127 HB2 CYS 20 HB2 CYS 20 11.036 -0.766 5.990 128 HB3 CYS 20 HB3 CYS 20 11.097 -0.346 4.292 129 H LEU 21 H LEU 21 11.622 1.458 3.542 130 HA LEU 21 HA LEU 21 11.714 4.110 4.752 131 HB2 LEU 21 HB2 LEU 21 10.359 3.016 2.280 132 HB3 LEU 21 HB3 LEU 21 10.290 4.695 2.737 133 HG LEU 21 HG LEU 21 11.711 4.539 0.892 134 HD11 LEU 21 HD11 LEU 21 13.406 4.990 3.393 135 HD12 LEU 21 HD12 LEU 21 12.544 6.232 2.443 136 HD13 LEU 21 HD13 LEU 21 13.971 5.398 1.734 137 HD21 LEU 21 HD21 LEU 21 12.317 2.184 1.051 138 HD22 LEU 21 HD22 LEU 21 13.533 2.602 2.290 139 HD23 LEU 21 HD23 LEU 21 13.640 3.263 0.622 140 H ALA 22 H ALA 22 9.600 5.287 5.111 141 HA ALA 22 HA ALA 22 7.730 3.771 6.638 142 HB1 ALA 22 HB1 ALA 22 7.246 6.548 5.295 143 HB2 ALA 22 HB2 ALA 22 6.323 5.884 6.646 144 HB3 ALA 22 HB3 ALA 22 8.052 6.346 6.855 145 H GLY 23 H GLY 23 5.684 2.853 6.088 146 HA2 GLY 23 HA2 GLY 23 3.966 2.200 4.541 147 HA3 GLY 23 HA3 GLY 23 4.892 2.928 3.222 148 H CYS 24 H CYS 24 7.150 1.110 4.783 149 HA CYS 24 HA CYS 24 6.586 -1.277 3.095 150 HB2 CYS 24 HB2 CYS 24 9.186 0.094 3.741 151 HB3 CYS 24 HB3 CYS 24 9.045 -1.363 2.795 152 H VAL 25 H VAL 25 7.668 -3.222 3.868 153 HA VAL 25 HA VAL 25 8.030 -3.133 6.881 154 HB VAL 25 HB VAL 25 6.890 -5.425 6.959 155 HG11 VAL 25 HG11 VAL 25 5.671 -3.201 7.499 156 HG12 VAL 25 HG12 VAL 25 4.904 -3.422 5.901 157 HG13 VAL 25 HG13 VAL 25 4.718 -4.659 7.163 158 HG21 VAL 25 HG21 VAL 25 5.347 -5.969 4.978 159 HG22 VAL 25 HG22 VAL 25 6.094 -4.625 4.080 160 HG23 VAL 25 HG23 VAL 25 7.077 -6.046 4.538 161 H CYS 26 H CYS 26 9.080 -5.276 7.605 162 HA CYS 26 HA CYS 26 11.102 -5.984 5.571 163 HB2 CYS 26 HB2 CYS 26 11.980 -5.065 7.724 164 HB3 CYS 26 HB3 CYS 26 11.265 -6.434 8.556 165 H GLY 27 H GLY 27 11.203 -8.026 4.670 166 HA2 GLY 27 HA2 GLY 27 9.055 -9.774 5.624 167 HA3 GLY 27 HA3 GLY 27 9.968 -9.877 4.120 168 HA PRO 28 HA PRO 28 11.384 -13.039 7.323 169 HB2 PRO 28 HB2 PRO 28 10.570 -15.352 6.212 170 HB3 PRO 28 HB3 PRO 28 9.510 -14.251 7.127 171 HG2 PRO 28 HG2 PRO 28 9.994 -14.413 4.156 172 HG3 PRO 28 HG3 PRO 28 8.445 -14.622 5.071 173 HD2 PRO 28 HD2 PRO 28 9.126 -12.236 3.940 174 HD3 PRO 28 HD3 PRO 28 8.281 -12.346 5.553 175 H ASN 29 H ASN 29 11.920 -12.633 3.879 176 HA ASN 29 HA ASN 29 14.245 -14.435 3.848 177 HB2 ASN 29 HB2 ASN 29 13.294 -12.502 1.687 178 HB3 ASN 29 HB3 ASN 29 14.487 -13.749 1.505 179 HD21 ASN 29 HD21 ASN 29 13.784 -15.887 1.166 180 HD22 ASN 29 HD22 ASN 29 12.036 -16.211 0.980 181 H GLY 30 H GLY 30 13.764 -11.427 5.232 182 HA2 GLY 30 HA2 GLY 30 15.434 -9.967 6.013 183 HA3 GLY 30 HA3 GLY 30 16.663 -10.930 5.182 184 H PHE 31 H PHE 31 13.929 -9.863 3.477 185 HA PHE 31 HA PHE 31 15.365 -7.447 2.334 186 HB2 PHE 31 HB2 PHE 31 13.849 -9.620 0.779 187 HB3 PHE 31 HB3 PHE 31 14.232 -8.038 0.152 188 HD1 PHE 31 HD1 PHE 31 15.660 -11.333 1.041 189 HD2 PHE 31 HD2 PHE 31 16.547 -7.370 -0.440 190 HE1 PHE 31 HE1 PHE 31 17.827 -12.148 0.302 191 HE2 PHE 31 HE2 PHE 31 18.768 -8.185 -1.151 192 HZ PHE 31 HZ PHE 31 19.380 -10.621 -0.837 193 H CYS 32 H CYS 32 14.069 -5.801 1.707 194 HA CYS 32 HA CYS 32 11.724 -5.461 3.310 195 HB2 CYS 32 HB2 CYS 32 13.530 -3.672 2.351 196 HB3 CYS 32 HB3 CYS 32 12.464 -3.753 0.968 197 H GLY 33 H GLY 33 9.643 -4.860 2.615 198 HA2 GLY 33 HA2 GLY 33 8.781 -5.638 -0.117 199 HA3 GLY 33 HA3 GLY 33 8.267 -6.741 1.141 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 1.273 -2.371 0.043 2 H2 GLY 1 H2 GLY 1 1.561 -1.211 -1.054 3 H3 GLY 1 H3 GLY 1 2.587 -2.496 -0.957 4 HA2 GLY 1 HA2 GLY 1 2.083 -0.519 1.062 5 HA3 GLY 1 HA3 GLY 1 3.256 -1.815 1.246 6 H CYS 2 H CYS 2 4.683 0.069 1.680 7 HA CYS 2 HA CYS 2 6.353 1.436 1.192 8 HB2 CYS 2 HB2 CYS 2 6.247 -0.148 -1.383 9 HB3 CYS 2 HB3 CYS 2 7.388 1.195 -1.183 10 HA PRO 3 HA PRO 3 4.731 5.031 -0.559 11 HB2 PRO 3 HB2 PRO 3 6.739 6.793 -0.641 12 HB3 PRO 3 HB3 PRO 3 6.019 6.157 0.891 13 HG2 PRO 3 HG2 PRO 3 8.586 5.323 -0.504 14 HG3 PRO 3 HG3 PRO 3 8.238 5.676 1.236 15 HD2 PRO 3 HD2 PRO 3 8.298 3.107 0.095 16 HD3 PRO 3 HD3 PRO 3 7.397 3.569 1.590 17 H ARG 4 H ARG 4 3.988 4.936 -2.487 18 HA ARG 4 HA ARG 4 3.919 4.461 -4.679 19 HB2 ARG 4 HB2 ARG 4 5.600 6.812 -4.752 20 HB3 ARG 4 HB3 ARG 4 4.630 6.342 -5.979 21 HG2 ARG 4 HG2 ARG 4 2.730 6.820 -4.713 22 HG3 ARG 4 HG3 ARG 4 3.651 7.172 -3.411 23 HD2 ARG 4 HD2 ARG 4 4.556 9.047 -4.548 24 HD3 ARG 4 HD3 ARG 4 3.660 8.688 -5.865 25 HE ARG 4 HE ARG 4 1.902 9.003 -3.790 26 HH11 ARG 4 HH11 ARG 4 0.762 10.934 -3.488 27 HH12 ARG 4 HH12 ARG 4 1.345 12.404 -4.193 28 HH21 ARG 4 HH21 ARG 4 4.149 10.918 -5.668 29 HH22 ARG 4 HH22 ARG 4 3.275 12.395 -5.436 30 HA PRO 5 HA PRO 5 8.110 2.676 -5.190 31 HB2 PRO 5 HB2 PRO 5 7.544 0.014 -5.574 32 HB3 PRO 5 HB3 PRO 5 7.503 0.751 -3.941 33 HG2 PRO 5 HG2 PRO 5 5.197 0.241 -5.821 34 HG3 PRO 5 HG3 PRO 5 5.405 -0.224 -4.090 35 HD2 PRO 5 HD2 PRO 5 4.065 1.990 -4.767 36 HD3 PRO 5 HD3 PRO 5 5.116 1.930 -3.310 37 H ARG 6 H ARG 6 9.232 2.368 -7.118 38 HA ARG 6 HA ARG 6 7.731 3.114 -9.489 39 HB2 ARG 6 HB2 ARG 6 10.015 3.898 -9.047 40 HB3 ARG 6 HB3 ARG 6 10.619 2.256 -9.300 41 HG2 ARG 6 HG2 ARG 6 9.955 2.262 -11.639 42 HG3 ARG 6 HG3 ARG 6 9.169 3.833 -11.472 43 HD2 ARG 6 HD2 ARG 6 12.067 3.480 -10.719 44 HD3 ARG 6 HD3 ARG 6 11.517 3.837 -12.354 45 HE ARG 6 HE ARG 6 10.231 5.659 -10.679 46 HH11 ARG 6 HH11 ARG 6 13.487 4.935 -11.823 47 HH12 ARG 6 HH12 ARG 6 14.025 6.600 -11.775 48 HH21 ARG 6 HH21 ARG 6 10.954 7.806 -10.658 49 HH22 ARG 6 HH22 ARG 6 12.572 8.197 -11.122 50 H GLY 7 H GLY 7 9.074 0.097 -8.266 51 HA2 GLY 7 HA2 GLY 7 8.434 -2.070 -8.849 52 HA3 GLY 7 HA3 GLY 7 7.511 -1.404 -10.209 53 H ASP 8 H ASP 8 10.694 -0.243 -9.952 54 HA ASP 8 HA ASP 8 11.750 -2.145 -11.951 55 HB2 ASP 8 HB2 ASP 8 11.272 0.141 -12.876 56 HB3 ASP 8 HB3 ASP 8 12.271 0.838 -11.604 57 H ASN 9 H ASN 9 12.259 -0.341 -9.016 58 HA ASN 9 HA ASN 9 15.132 -0.622 -8.956 59 HB2 ASN 9 HB2 ASN 9 13.088 0.018 -6.815 60 HB3 ASN 9 HB3 ASN 9 14.855 0.046 -6.548 61 HD21 ASN 9 HD21 ASN 9 13.579 2.246 -5.973 62 HD22 ASN 9 HD22 ASN 9 13.840 3.509 -7.201 63 HA PRO 10 HA PRO 10 15.446 -4.782 -7.403 64 HB2 PRO 10 HB2 PRO 10 17.930 -4.689 -6.284 65 HB3 PRO 10 HB3 PRO 10 17.693 -4.692 -8.047 66 HG2 PRO 10 HG2 PRO 10 18.278 -2.320 -6.282 67 HG3 PRO 10 HG3 PRO 10 18.910 -2.770 -7.879 68 HD2 PRO 10 HD2 PRO 10 16.928 -0.958 -7.597 69 HD3 PRO 10 HD3 PRO 10 17.014 -2.079 -8.976 70 HA PRO 11 HA PRO 11 14.371 -4.490 -3.138 71 HB2 PRO 11 HB2 PRO 11 15.170 -6.845 -2.045 72 HB3 PRO 11 HB3 PRO 11 13.846 -6.779 -3.226 73 HG2 PRO 11 HG2 PRO 11 16.754 -7.412 -3.639 74 HG3 PRO 11 HG3 PRO 11 15.306 -8.349 -4.218 75 HD2 PRO 11 HD2 PRO 11 16.602 -6.644 -5.841 76 HD3 PRO 11 HD3 PRO 11 14.842 -6.883 -5.949 77 H LEU 12 H LEU 12 15.162 -4.342 -0.975 78 HA LEU 12 HA LEU 12 18.148 -4.109 -0.729 79 HB2 LEU 12 HB2 LEU 12 17.833 -2.180 0.741 80 HB3 LEU 12 HB3 LEU 12 17.132 -1.828 -0.850 81 HG LEU 12 HG LEU 12 15.239 -2.785 1.259 82 HD11 LEU 12 HD11 LEU 12 15.093 -0.601 2.257 83 HD12 LEU 12 HD12 LEU 12 16.465 -0.040 1.261 84 HD13 LEU 12 HD13 LEU 12 16.726 -1.322 2.483 85 HD21 LEU 12 HD21 LEU 12 13.747 -1.183 0.134 86 HD22 LEU 12 HD22 LEU 12 14.507 -2.228 -1.065 87 HD23 LEU 12 HD23 LEU 12 15.093 -0.549 -0.857 88 H THR 13 H THR 13 18.943 -4.530 1.387 89 HA THR 13 HA THR 13 17.443 -6.686 2.601 90 HB THR 13 HB THR 13 19.387 -6.637 4.228 91 HG1 THR 13 HG1 THR 13 20.735 -5.047 4.137 92 HG21 THR 13 HG21 THR 13 20.903 -7.632 2.652 93 HG22 THR 13 HG22 THR 13 20.115 -6.746 1.277 94 HG23 THR 13 HG23 THR 13 19.231 -8.021 2.147 95 H CYS 14 H CYS 14 16.929 -6.940 4.805 96 HA CYS 14 HA CYS 14 17.007 -4.528 6.532 97 HB2 CYS 14 HB2 CYS 14 14.584 -4.596 6.972 98 HB3 CYS 14 HB3 CYS 14 14.843 -4.330 5.213 99 H SER 15 H SER 15 16.228 -5.157 8.775 100 HA SER 15 HA SER 15 16.126 -8.093 9.230 101 HB2 SER 15 HB2 SER 15 18.337 -7.846 9.750 102 HB3 SER 15 HB3 SER 15 18.152 -6.196 10.327 103 HG SER 15 HG SER 15 18.464 -7.872 11.972 104 H GLN 16 H GLN 16 15.365 -4.796 9.915 105 HA GLN 16 HA GLN 16 13.012 -5.727 11.493 106 HB2 GLN 16 HB2 GLN 16 13.150 -3.582 12.795 107 HB3 GLN 16 HB3 GLN 16 14.454 -4.715 13.142 108 HG2 GLN 16 HG2 GLN 16 15.962 -3.341 11.717 109 HG3 GLN 16 HG3 GLN 16 14.629 -2.230 11.335 110 HE21 GLN 16 HE21 GLN 16 17.286 -2.403 13.087 111 HE22 GLN 16 HE22 GLN 16 16.862 -1.462 14.525 112 H ASP 17 H ASP 17 11.263 -3.847 11.159 113 HA ASP 17 HA ASP 17 11.180 -3.268 8.348 114 HB2 ASP 17 HB2 ASP 17 9.006 -2.454 8.761 115 HB3 ASP 17 HB3 ASP 17 9.207 -3.748 9.919 116 H SER 18 H SER 18 12.262 -1.551 11.151 117 HA SER 18 HA SER 18 12.017 1.112 10.071 118 HB2 SER 18 HB2 SER 18 12.461 0.455 12.526 119 HB3 SER 18 HB3 SER 18 14.131 0.129 12.019 120 HG SER 18 HG SER 18 12.757 2.629 11.750 121 H ASP 19 H ASP 19 14.123 -1.417 9.063 122 HA ASP 19 HA ASP 19 16.370 0.191 8.209 123 HB2 ASP 19 HB2 ASP 19 15.387 -2.561 7.478 124 HB3 ASP 19 HB3 ASP 19 16.891 -1.857 6.795 125 H CYS 20 H CYS 20 13.201 -0.088 7.197 126 HA CYS 20 HA CYS 20 13.992 0.660 4.374 127 HB2 CYS 20 HB2 CYS 20 12.724 -1.551 4.992 128 HB3 CYS 20 HB3 CYS 20 11.317 -0.528 5.017 129 H LEU 21 H LEU 21 11.745 1.534 3.251 130 HA LEU 21 HA LEU 21 11.619 4.192 4.397 131 HB2 LEU 21 HB2 LEU 21 10.243 2.962 2.030 132 HB3 LEU 21 HB3 LEU 21 10.212 4.676 2.389 133 HG LEU 21 HG LEU 21 12.693 3.095 1.579 134 HD11 LEU 21 HD11 LEU 21 11.126 3.324 -0.265 135 HD12 LEU 21 HD12 LEU 21 12.523 4.407 -0.549 136 HD13 LEU 21 HD13 LEU 21 10.982 5.081 -0.001 137 HD21 LEU 21 HD21 LEU 21 13.281 5.009 2.971 138 HD22 LEU 21 HD22 LEU 21 12.285 6.115 1.994 139 HD23 LEU 21 HD23 LEU 21 13.737 5.344 1.265 140 H ALA 22 H ALA 22 9.684 5.342 4.989 141 HA ALA 22 HA ALA 22 7.957 3.907 6.721 142 HB1 ALA 22 HB1 ALA 22 6.652 6.071 6.865 143 HB2 ALA 22 HB2 ALA 22 8.412 6.382 6.987 144 HB3 ALA 22 HB3 ALA 22 7.547 6.708 5.448 145 H GLY 23 H GLY 23 6.297 2.574 6.278 146 HA2 GLY 23 HA2 GLY 23 4.117 2.186 5.028 147 HA3 GLY 23 HA3 GLY 23 4.890 2.858 3.618 148 H CYS 24 H CYS 24 7.371 1.152 4.727 149 HA CYS 24 HA CYS 24 6.670 -1.227 3.091 150 HB2 CYS 24 HB2 CYS 24 9.284 -0.067 3.998 151 HB3 CYS 24 HB3 CYS 24 9.104 -1.532 3.010 152 H VAL 25 H VAL 25 7.637 -3.289 3.875 153 HA VAL 25 HA VAL 25 7.781 -3.387 6.917 154 HB VAL 25 HB VAL 25 6.786 -5.715 6.711 155 HG11 VAL 25 HG11 VAL 25 4.419 -4.937 6.434 156 HG12 VAL 25 HG12 VAL 25 5.340 -3.948 7.529 157 HG13 VAL 25 HG13 VAL 25 5.023 -3.349 5.939 158 HG21 VAL 25 HG21 VAL 25 5.829 -4.700 3.941 159 HG22 VAL 25 HG22 VAL 25 7.204 -5.840 4.125 160 HG23 VAL 25 HG23 VAL 25 5.573 -6.324 4.627 161 H CYS 26 H CYS 26 8.903 -5.566 7.510 162 HA CYS 26 HA CYS 26 11.018 -6.120 5.518 163 HB2 CYS 26 HB2 CYS 26 11.904 -5.032 7.596 164 HB3 CYS 26 HB3 CYS 26 11.212 -6.352 8.539 165 H GLY 27 H GLY 27 11.102 -8.125 4.662 166 HA2 GLY 27 HA2 GLY 27 9.079 -9.985 5.777 167 HA3 GLY 27 HA3 GLY 27 9.867 -10.028 4.218 168 HA PRO 28 HA PRO 28 11.610 -13.197 7.317 169 HB2 PRO 28 HB2 PRO 28 10.720 -15.502 6.242 170 HB3 PRO 28 HB3 PRO 28 9.696 -14.415 7.231 171 HG2 PRO 28 HG2 PRO 28 9.936 -14.518 4.219 172 HG3 PRO 28 HG3 PRO 28 8.471 -14.747 5.241 173 HD2 PRO 28 HD2 PRO 28 9.078 -12.366 4.149 174 HD3 PRO 28 HD3 PRO 28 8.352 -12.519 5.822 175 H ASN 29 H ASN 29 11.873 -12.678 3.827 176 HA ASN 29 HA ASN 29 14.172 -14.488 3.564 177 HB2 ASN 29 HB2 ASN 29 12.985 -12.432 1.625 178 HB3 ASN 29 HB3 ASN 29 14.369 -13.407 1.254 179 HD21 ASN 29 HD21 ASN 29 13.620 -14.785 -0.353 180 HD22 ASN 29 HD22 ASN 29 12.168 -15.764 -0.138 181 H GLY 30 H GLY 30 13.725 -11.496 5.100 182 HA2 GLY 30 HA2 GLY 30 15.368 -10.108 5.961 183 HA3 GLY 30 HA3 GLY 30 16.646 -11.026 5.041 184 H PHE 31 H PHE 31 13.906 -9.900 3.351 185 HA PHE 31 HA PHE 31 15.371 -7.457 2.331 186 HB2 PHE 31 HB2 PHE 31 13.673 -9.419 0.709 187 HB3 PHE 31 HB3 PHE 31 14.275 -7.841 0.121 188 HD1 PHE 31 HD1 PHE 31 14.970 -11.357 0.330 189 HD2 PHE 31 HD2 PHE 31 16.890 -7.492 0.146 190 HE1 PHE 31 HE1 PHE 31 16.997 -12.468 -0.456 191 HE2 PHE 31 HE2 PHE 31 18.981 -8.609 -0.599 192 HZ PHE 31 HZ PHE 31 18.973 -11.120 -0.964 193 H CYS 32 H CYS 32 14.145 -5.729 1.892 194 HA CYS 32 HA CYS 32 11.768 -5.331 3.455 195 HB2 CYS 32 HB2 CYS 32 13.517 -3.489 2.829 196 HB3 CYS 32 HB3 CYS 32 12.984 -3.665 1.174 197 H GLY 33 H GLY 33 9.678 -4.883 2.726 198 HA2 GLY 33 HA2 GLY 33 9.005 -5.679 -0.075 199 HA3 GLY 33 HA3 GLY 33 8.304 -6.648 1.210 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 1.810 -0.298 0.819 2 H2 GLY 1 H2 GLY 1 2.880 0.680 1.536 3 H3 GLY 1 H3 GLY 1 2.166 1.149 0.137 4 HA2 GLY 1 HA2 GLY 1 3.970 -1.049 0.492 5 HA3 GLY 1 HA3 GLY 1 3.138 -0.627 -1.013 6 H CYS 2 H CYS 2 5.863 -0.710 -1.103 7 HA CYS 2 HA CYS 2 7.053 1.824 -0.458 8 HB2 CYS 2 HB2 CYS 2 7.893 -0.447 -2.299 9 HB3 CYS 2 HB3 CYS 2 8.983 0.861 -1.774 10 HA PRO 3 HA PRO 3 6.282 4.065 -4.108 11 HB2 PRO 3 HB2 PRO 3 8.314 5.764 -4.437 12 HB3 PRO 3 HB3 PRO 3 7.214 5.818 -3.037 13 HG2 PRO 3 HG2 PRO 3 9.981 4.548 -3.178 14 HG3 PRO 3 HG3 PRO 3 9.302 5.748 -2.010 15 HD2 PRO 3 HD2 PRO 3 9.346 2.998 -1.554 16 HD3 PRO 3 HD3 PRO 3 8.109 4.105 -0.867 17 H ARG 4 H ARG 4 6.996 4.512 -6.394 18 HA ARG 4 HA ARG 4 8.949 2.476 -7.318 19 HB2 ARG 4 HB2 ARG 4 6.363 3.226 -8.680 20 HB3 ARG 4 HB3 ARG 4 7.489 1.965 -9.211 21 HG2 ARG 4 HG2 ARG 4 6.889 0.697 -7.188 22 HG3 ARG 4 HG3 ARG 4 5.785 1.989 -6.717 23 HD2 ARG 4 HD2 ARG 4 4.422 1.579 -8.774 24 HD3 ARG 4 HD3 ARG 4 5.560 0.381 -9.317 25 HE ARG 4 HE ARG 4 4.707 -1.156 -7.863 26 HH11 ARG 4 HH11 ARG 4 3.350 1.966 -7.122 27 HH12 ARG 4 HH12 ARG 4 2.113 1.392 -6.060 28 HH21 ARG 4 HH21 ARG 4 3.147 -1.932 -6.392 29 HH22 ARG 4 HH22 ARG 4 2.013 -0.831 -5.637 30 HA PRO 5 HA PRO 5 9.770 6.615 -9.248 31 HB2 PRO 5 HB2 PRO 5 12.356 6.936 -8.727 32 HB3 PRO 5 HB3 PRO 5 11.073 7.367 -7.543 33 HG2 PRO 5 HG2 PRO 5 12.663 4.787 -7.631 34 HG3 PRO 5 HG3 PRO 5 12.417 5.920 -6.281 35 HD2 PRO 5 HD2 PRO 5 10.876 3.787 -6.559 36 HD3 PRO 5 HD3 PRO 5 10.217 5.346 -6.077 37 H ARG 6 H ARG 6 11.101 3.434 -9.572 38 HA ARG 6 HA ARG 6 11.969 4.102 -12.377 39 HB2 ARG 6 HB2 ARG 6 13.491 2.300 -10.461 40 HB3 ARG 6 HB3 ARG 6 13.842 2.507 -12.191 41 HG2 ARG 6 HG2 ARG 6 13.854 4.776 -10.247 42 HG3 ARG 6 HG3 ARG 6 15.294 3.769 -10.562 43 HD2 ARG 6 HD2 ARG 6 15.042 4.359 -13.022 44 HD3 ARG 6 HD3 ARG 6 13.711 5.424 -12.578 45 HE ARG 6 HE ARG 6 15.877 6.247 -11.004 46 HH11 ARG 6 HH11 ARG 6 15.269 5.879 -14.487 47 HH12 ARG 6 HH12 ARG 6 16.337 7.197 -14.919 48 HH21 ARG 6 HH21 ARG 6 17.263 7.924 -11.666 49 HH22 ARG 6 HH22 ARG 6 17.491 8.218 -13.370 50 H GLY 7 H GLY 7 11.318 1.419 -10.038 51 HA2 GLY 7 HA2 GLY 7 9.575 -0.197 -10.220 52 HA3 GLY 7 HA3 GLY 7 9.275 0.363 -11.870 53 H ASP 8 H ASP 8 12.589 0.029 -11.467 54 HA ASP 8 HA ASP 8 12.604 -2.755 -12.485 55 HB2 ASP 8 HB2 ASP 8 13.101 -0.875 -14.167 56 HB3 ASP 8 HB3 ASP 8 14.537 -0.524 -13.168 57 H ASN 9 H ASN 9 13.215 -1.179 -9.773 58 HA ASN 9 HA ASN 9 16.077 -1.936 -9.532 59 HB2 ASN 9 HB2 ASN 9 16.270 -0.058 -8.330 60 HB3 ASN 9 HB3 ASN 9 14.567 0.278 -8.660 61 HD21 ASN 9 HD21 ASN 9 12.985 -0.779 -7.113 62 HD22 ASN 9 HD22 ASN 9 13.492 -0.800 -5.480 63 HA PRO 10 HA PRO 10 15.172 -5.516 -7.048 64 HB2 PRO 10 HB2 PRO 10 17.496 -5.813 -5.691 65 HB3 PRO 10 HB3 PRO 10 17.374 -6.057 -7.424 66 HG2 PRO 10 HG2 PRO 10 18.423 -3.651 -5.946 67 HG3 PRO 10 HG3 PRO 10 19.093 -4.490 -7.340 68 HD2 PRO 10 HD2 PRO 10 17.580 -2.228 -7.585 69 HD3 PRO 10 HD3 PRO 10 17.598 -3.525 -8.833 70 HA PRO 11 HA PRO 11 14.069 -4.176 -2.969 71 HB2 PRO 11 HB2 PRO 11 14.191 -6.395 -1.459 72 HB3 PRO 11 HB3 PRO 11 12.948 -6.210 -2.667 73 HG2 PRO 11 HG2 PRO 11 15.568 -7.657 -2.947 74 HG3 PRO 11 HG3 PRO 11 13.900 -8.286 -3.345 75 HD2 PRO 11 HD2 PRO 11 15.530 -7.262 -5.229 76 HD3 PRO 11 HD3 PRO 11 13.771 -6.992 -5.320 77 H LEU 12 H LEU 12 15.007 -3.557 -0.958 78 HA LEU 12 HA LEU 12 17.992 -3.943 -0.830 79 HB2 LEU 12 HB2 LEU 12 17.902 -2.183 0.900 80 HB3 LEU 12 HB3 LEU 12 17.196 -1.621 -0.603 81 HG LEU 12 HG LEU 12 15.187 -2.647 1.245 82 HD11 LEU 12 HD11 LEU 12 16.816 -0.266 2.100 83 HD12 LEU 12 HD12 LEU 12 16.708 -1.832 2.903 84 HD13 LEU 12 HD13 LEU 12 15.266 -0.820 2.841 85 HD21 LEU 12 HD21 LEU 12 14.068 -0.559 0.610 86 HD22 LEU 12 HD22 LEU 12 14.720 -1.412 -0.802 87 HD23 LEU 12 HD23 LEU 12 15.557 0.039 -0.162 88 H THR 13 H THR 13 18.913 -4.687 1.212 89 HA THR 13 HA THR 13 17.302 -6.729 2.475 90 HB THR 13 HB THR 13 19.366 -6.890 3.938 91 HG1 THR 13 HG1 THR 13 21.180 -5.773 3.228 92 HG21 THR 13 HG21 THR 13 20.563 -8.082 2.267 93 HG22 THR 13 HG22 THR 13 19.760 -7.148 0.957 94 HG23 THR 13 HG23 THR 13 18.804 -8.288 1.949 95 H CYS 14 H CYS 14 16.979 -6.943 4.753 96 HA CYS 14 HA CYS 14 17.258 -4.492 6.401 97 HB2 CYS 14 HB2 CYS 14 14.806 -4.537 6.937 98 HB3 CYS 14 HB3 CYS 14 15.060 -4.204 5.201 99 H SER 15 H SER 15 16.688 -4.976 8.689 100 HA SER 15 HA SER 15 16.687 -7.907 9.257 101 HB2 SER 15 HB2 SER 15 18.791 -7.603 9.978 102 HB3 SER 15 HB3 SER 15 18.625 -5.830 10.050 103 HG SER 15 HG SER 15 17.155 -7.297 11.905 104 H GLN 16 H GLN 16 15.371 -4.826 9.696 105 HA GLN 16 HA GLN 16 13.267 -6.001 11.418 106 HB2 GLN 16 HB2 GLN 16 13.260 -4.180 13.041 107 HB3 GLN 16 HB3 GLN 16 14.796 -5.049 13.070 108 HG2 GLN 16 HG2 GLN 16 15.725 -3.218 11.592 109 HG3 GLN 16 HG3 GLN 16 14.275 -2.288 11.868 110 HE21 GLN 16 HE21 GLN 16 13.734 -1.695 14.151 111 HE22 GLN 16 HE22 GLN 16 15.043 -1.525 15.316 112 H ASP 17 H ASP 17 11.326 -4.474 11.358 113 HA ASP 17 HA ASP 17 10.810 -3.524 8.774 114 HB2 ASP 17 HB2 ASP 17 9.525 -3.482 11.451 115 HB3 ASP 17 HB3 ASP 17 9.024 -2.182 10.299 116 H SER 18 H SER 18 12.153 -1.818 11.559 117 HA SER 18 HA SER 18 11.543 0.830 10.479 118 HB2 SER 18 HB2 SER 18 12.062 0.356 12.877 119 HB3 SER 18 HB3 SER 18 13.746 0.012 12.401 120 HG SER 18 HG SER 18 12.796 2.400 11.478 121 H ASP 19 H ASP 19 13.958 -1.515 9.441 122 HA ASP 19 HA ASP 19 15.950 0.362 8.584 123 HB2 ASP 19 HB2 ASP 19 15.205 -2.445 7.677 124 HB3 ASP 19 HB3 ASP 19 16.606 -1.518 6.984 125 H CYS 20 H CYS 20 12.859 -0.677 7.460 126 HA CYS 20 HA CYS 20 13.313 0.297 4.663 127 HB2 CYS 20 HB2 CYS 20 10.820 -0.753 6.084 128 HB3 CYS 20 HB3 CYS 20 10.947 -0.338 4.396 129 H LEU 21 H LEU 21 11.473 1.555 3.683 130 HA LEU 21 HA LEU 21 11.329 4.136 5.021 131 HB2 LEU 21 HB2 LEU 21 10.046 3.114 2.495 132 HB3 LEU 21 HB3 LEU 21 10.032 4.781 2.977 133 HG LEU 21 HG LEU 21 12.493 3.232 2.008 134 HD11 LEU 21 HD11 LEU 21 10.943 5.541 0.730 135 HD12 LEU 21 HD12 LEU 21 10.818 3.871 0.235 136 HD13 LEU 21 HD13 LEU 21 12.380 4.676 0.059 137 HD21 LEU 21 HD21 LEU 21 13.636 5.421 2.085 138 HD22 LEU 21 HD22 LEU 21 13.098 4.908 3.721 139 HD23 LEU 21 HD23 LEU 21 12.181 6.178 2.817 140 H ALA 22 H ALA 22 9.155 5.246 5.259 141 HA ALA 22 HA ALA 22 7.272 3.633 6.747 142 HB1 ALA 22 HB1 ALA 22 6.802 6.416 5.437 143 HB2 ALA 22 HB2 ALA 22 5.823 5.711 6.715 144 HB3 ALA 22 HB3 ALA 22 7.487 6.210 7.045 145 H GLY 23 H GLY 23 5.418 2.509 5.983 146 HA2 GLY 23 HA2 GLY 23 3.787 1.910 4.261 147 HA3 GLY 23 HA3 GLY 23 4.762 2.711 3.046 148 H CYS 24 H CYS 24 7.068 1.040 4.630 149 HA CYS 24 HA CYS 24 6.737 -1.379 2.892 150 HB2 CYS 24 HB2 CYS 24 9.156 0.174 3.753 151 HB3 CYS 24 HB3 CYS 24 9.221 -1.307 2.789 152 H VAL 25 H VAL 25 7.772 -3.308 3.784 153 HA VAL 25 HA VAL 25 8.058 -3.207 6.808 154 HB VAL 25 HB VAL 25 7.033 -5.511 6.855 155 HG11 VAL 25 HG11 VAL 25 5.290 -3.217 5.866 156 HG12 VAL 25 HG12 VAL 25 4.620 -4.771 6.418 157 HG13 VAL 25 HG13 VAL 25 5.586 -3.757 7.539 158 HG21 VAL 25 HG21 VAL 25 5.634 -6.197 4.798 159 HG22 VAL 25 HG22 VAL 25 6.365 -4.824 3.893 160 HG23 VAL 25 HG23 VAL 25 7.374 -6.175 4.467 161 H CYS 26 H CYS 26 9.224 -5.250 7.520 162 HA CYS 26 HA CYS 26 11.258 -5.993 5.458 163 HB2 CYS 26 HB2 CYS 26 12.138 -4.995 7.630 164 HB3 CYS 26 HB3 CYS 26 11.407 -6.352 8.483 165 H GLY 27 H GLY 27 11.371 -8.167 4.785 166 HA2 GLY 27 HA2 GLY 27 9.147 -9.783 5.948 167 HA3 GLY 27 HA3 GLY 27 9.900 -9.945 4.357 168 HA PRO 28 HA PRO 28 11.583 -13.134 7.551 169 HB2 PRO 28 HB2 PRO 28 10.445 -14.978 5.486 170 HB3 PRO 28 HB3 PRO 28 10.407 -15.102 7.267 171 HG2 PRO 28 HG2 PRO 28 8.189 -14.507 5.914 172 HG3 PRO 28 HG3 PRO 28 8.568 -13.629 7.424 173 HD2 PRO 28 HD2 PRO 28 9.065 -12.796 4.556 174 HD3 PRO 28 HD3 PRO 28 8.322 -11.861 5.931 175 H ASN 29 H ASN 29 11.575 -12.613 4.066 176 HA ASN 29 HA ASN 29 13.736 -14.373 3.389 177 HB2 ASN 29 HB2 ASN 29 12.795 -11.796 1.964 178 HB3 ASN 29 HB3 ASN 29 13.680 -13.159 1.252 179 HD21 ASN 29 HD21 ASN 29 12.473 -14.740 0.314 180 HD22 ASN 29 HD22 ASN 29 10.730 -14.794 0.516 181 H GLY 30 H GLY 30 13.611 -11.363 5.132 182 HA2 GLY 30 HA2 GLY 30 15.378 -10.147 6.022 183 HA3 GLY 30 HA3 GLY 30 16.547 -11.130 5.042 184 H PHE 31 H PHE 31 13.925 -9.965 3.320 185 HA PHE 31 HA PHE 31 15.399 -7.519 2.276 186 HB2 PHE 31 HB2 PHE 31 13.764 -9.644 0.743 187 HB3 PHE 31 HB3 PHE 31 14.099 -8.000 0.150 188 HD1 PHE 31 HD1 PHE 31 15.518 -11.363 0.739 189 HD2 PHE 31 HD2 PHE 31 16.432 -7.264 -0.461 190 HE1 PHE 31 HE1 PHE 31 17.675 -12.124 -0.148 191 HE2 PHE 31 HE2 PHE 31 18.622 -8.057 -1.314 192 HZ PHE 31 HZ PHE 31 19.187 -10.514 -1.219 193 H CYS 32 H CYS 32 14.166 -5.816 1.797 194 HA CYS 32 HA CYS 32 11.777 -5.408 3.334 195 HB2 CYS 32 HB2 CYS 32 13.717 -3.701 2.653 196 HB3 CYS 32 HB3 CYS 32 12.847 -3.656 1.116 197 H GLY 33 H GLY 33 9.708 -4.839 2.589 198 HA2 GLY 33 HA2 GLY 33 9.090 -5.371 -0.261 199 HA3 GLY 33 HA3 GLY 33 8.414 -6.521 0.897 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 1.886 1.158 0.277 2 H2 GLY 1 H2 GLY 1 2.920 2.226 0.883 3 H3 GLY 1 H3 GLY 1 2.505 2.326 -0.704 4 HA2 GLY 1 HA2 GLY 1 3.954 0.140 0.520 5 HA3 GLY 1 HA3 GLY 1 3.474 0.275 -1.177 6 H CYS 2 H CYS 2 6.040 -0.043 -1.182 7 HA CYS 2 HA CYS 2 7.531 2.383 -0.658 8 HB2 CYS 2 HB2 CYS 2 8.178 -0.124 -2.277 9 HB3 CYS 2 HB3 CYS 2 9.399 1.021 -1.689 10 HA PRO 3 HA PRO 3 7.133 4.218 -4.549 11 HB2 PRO 3 HB2 PRO 3 9.516 5.316 -5.228 12 HB3 PRO 3 HB3 PRO 3 8.501 5.917 -3.867 13 HG2 PRO 3 HG2 PRO 3 10.853 4.040 -3.720 14 HG3 PRO 3 HG3 PRO 3 10.544 5.580 -2.844 15 HD2 PRO 3 HD2 PRO 3 9.989 3.100 -1.786 16 HD3 PRO 3 HD3 PRO 3 8.990 4.552 -1.447 17 H ARG 4 H ARG 4 7.458 3.832 -6.800 18 HA ARG 4 HA ARG 4 8.952 1.445 -7.360 19 HB2 ARG 4 HB2 ARG 4 7.014 0.970 -8.951 20 HB3 ARG 4 HB3 ARG 4 6.814 0.620 -7.369 21 HG2 ARG 4 HG2 ARG 4 5.564 2.550 -7.045 22 HG3 ARG 4 HG3 ARG 4 5.881 3.056 -8.565 23 HD2 ARG 4 HD2 ARG 4 3.763 2.190 -8.697 24 HD3 ARG 4 HD3 ARG 4 4.708 1.009 -9.313 25 HE ARG 4 HE ARG 4 4.415 0.547 -6.607 26 HH11 ARG 4 HH11 ARG 4 2.988 -1.042 -5.862 27 HH12 ARG 4 HH12 ARG 4 1.722 -1.623 -6.892 28 HH21 ARG 4 HH21 ARG 4 2.583 0.437 -9.587 29 HH22 ARG 4 HH22 ARG 4 1.492 -0.780 -9.015 30 HA PRO 5 HA PRO 5 9.838 4.678 -10.526 31 HB2 PRO 5 HB2 PRO 5 12.491 4.834 -10.390 32 HB3 PRO 5 HB3 PRO 5 11.423 5.704 -9.244 33 HG2 PRO 5 HG2 PRO 5 12.805 3.081 -8.801 34 HG3 PRO 5 HG3 PRO 5 12.804 4.554 -7.808 35 HD2 PRO 5 HD2 PRO 5 11.130 2.563 -7.291 36 HD3 PRO 5 HD3 PRO 5 10.645 4.263 -7.168 37 H ARG 6 H ARG 6 10.989 1.447 -10.014 38 HA ARG 6 HA ARG 6 11.511 1.062 -12.847 39 HB2 ARG 6 HB2 ARG 6 13.383 0.539 -10.809 40 HB3 ARG 6 HB3 ARG 6 13.295 -0.517 -12.051 41 HG2 ARG 6 HG2 ARG 6 14.888 0.861 -12.782 42 HG3 ARG 6 HG3 ARG 6 13.568 1.535 -13.468 43 HD2 ARG 6 HD2 ARG 6 13.456 3.085 -11.633 44 HD3 ARG 6 HD3 ARG 6 14.845 2.454 -11.052 45 HE ARG 6 HE ARG 6 16.076 3.586 -12.592 46 HH11 ARG 6 HH11 ARG 6 16.311 5.183 -14.178 47 HH12 ARG 6 HH12 ARG 6 14.917 5.799 -15.000 48 HH21 ARG 6 HH21 ARG 6 12.647 3.775 -13.268 49 HH22 ARG 6 HH22 ARG 6 12.829 4.997 -14.481 50 H GLY 7 H GLY 7 10.734 -0.982 -13.634 51 HA2 GLY 7 HA2 GLY 7 8.795 -2.171 -11.741 52 HA3 GLY 7 HA3 GLY 7 8.978 -2.539 -13.480 53 H ASP 8 H ASP 8 12.000 -2.728 -12.940 54 HA ASP 8 HA ASP 8 11.985 -5.538 -12.016 55 HB2 ASP 8 HB2 ASP 8 13.997 -5.839 -13.332 56 HB3 ASP 8 HB3 ASP 8 12.797 -5.049 -14.359 57 H ASN 9 H ASN 9 12.206 -2.985 -10.384 58 HA ASN 9 HA ASN 9 14.919 -2.560 -9.701 59 HB2 ASN 9 HB2 ASN 9 14.114 -1.229 -7.873 60 HB3 ASN 9 HB3 ASN 9 12.883 -1.092 -9.143 61 HD21 ASN 9 HD21 ASN 9 10.884 -2.289 -8.817 62 HD22 ASN 9 HD22 ASN 9 10.465 -2.778 -7.200 63 HA PRO 10 HA PRO 10 15.852 -6.183 -7.331 64 HB2 PRO 10 HB2 PRO 10 18.128 -5.341 -6.100 65 HB3 PRO 10 HB3 PRO 10 18.106 -5.676 -7.843 66 HG2 PRO 10 HG2 PRO 10 17.950 -3.028 -6.474 67 HG3 PRO 10 HG3 PRO 10 18.870 -3.555 -7.877 68 HD2 PRO 10 HD2 PRO 10 16.572 -2.215 -8.117 69 HD3 PRO 10 HD3 PRO 10 17.087 -3.481 -9.282 70 HA PRO 11 HA PRO 11 14.438 -5.151 -3.249 71 HB2 PRO 11 HB2 PRO 11 15.131 -7.290 -1.786 72 HB3 PRO 11 HB3 PRO 11 13.887 -7.418 -3.047 73 HG2 PRO 11 HG2 PRO 11 16.857 -8.112 -3.168 74 HG3 PRO 11 HG3 PRO 11 15.442 -9.154 -3.702 75 HD2 PRO 11 HD2 PRO 11 16.847 -7.640 -5.485 76 HD3 PRO 11 HD3 PRO 11 15.097 -7.950 -5.678 77 H LEU 12 H LEU 12 15.151 -4.599 -1.174 78 HA LEU 12 HA LEU 12 18.149 -4.297 -0.892 79 HB2 LEU 12 HB2 LEU 12 17.765 -2.346 0.469 80 HB3 LEU 12 HB3 LEU 12 16.958 -2.107 -1.083 81 HG LEU 12 HG LEU 12 15.040 -3.194 0.745 82 HD11 LEU 12 HD11 LEU 12 14.973 -1.491 2.428 83 HD12 LEU 12 HD12 LEU 12 16.473 -0.762 1.766 84 HD13 LEU 12 HD13 LEU 12 16.533 -2.393 2.486 85 HD21 LEU 12 HD21 LEU 12 13.845 -1.169 0.181 86 HD22 LEU 12 HD22 LEU 12 14.576 -1.892 -1.255 87 HD23 LEU 12 HD23 LEU 12 15.317 -0.438 -0.521 88 H THR 13 H THR 13 19.019 -4.764 1.187 89 HA THR 13 HA THR 13 17.455 -6.835 2.523 90 HB THR 13 HB THR 13 19.497 -6.914 4.019 91 HG1 THR 13 HG1 THR 13 21.306 -5.766 3.327 92 HG21 THR 13 HG21 THR 13 20.025 -7.132 1.019 93 HG22 THR 13 HG22 THR 13 19.056 -8.277 1.970 94 HG23 THR 13 HG23 THR 13 20.774 -8.073 2.345 95 H CYS 14 H CYS 14 16.955 -6.974 4.712 96 HA CYS 14 HA CYS 14 17.353 -4.585 6.396 97 HB2 CYS 14 HB2 CYS 14 14.901 -4.449 6.958 98 HB3 CYS 14 HB3 CYS 14 15.165 -4.128 5.214 99 H SER 15 H SER 15 16.673 -5.045 8.663 100 HA SER 15 HA SER 15 16.544 -7.973 9.254 101 HB2 SER 15 HB2 SER 15 18.695 -7.784 9.928 102 HB3 SER 15 HB3 SER 15 18.657 -6.023 9.906 103 HG SER 15 HG SER 15 17.305 -7.440 11.909 104 H GLN 16 H GLN 16 15.379 -4.832 9.603 105 HA GLN 16 HA GLN 16 13.412 -5.787 11.620 106 HB2 GLN 16 HB2 GLN 16 13.603 -3.656 12.873 107 HB3 GLN 16 HB3 GLN 16 15.012 -4.667 12.991 108 HG2 GLN 16 HG2 GLN 16 16.145 -3.194 11.284 109 HG3 GLN 16 HG3 GLN 16 14.770 -2.097 11.286 110 HE21 GLN 16 HE21 GLN 16 17.233 -1.112 11.930 111 HE22 GLN 16 HE22 GLN 16 17.330 -0.776 13.680 112 H ASP 17 H ASP 17 11.478 -4.280 11.471 113 HA ASP 17 HA ASP 17 10.888 -3.401 8.828 114 HB2 ASP 17 HB2 ASP 17 9.582 -2.879 11.516 115 HB3 ASP 17 HB3 ASP 17 8.900 -2.380 9.935 116 H SER 18 H SER 18 12.277 -1.798 11.650 117 HA SER 18 HA SER 18 11.754 0.924 10.761 118 HB2 SER 18 HB2 SER 18 14.007 -0.111 12.538 119 HB3 SER 18 HB3 SER 18 13.394 1.570 12.404 120 HG SER 18 HG SER 18 12.351 -0.660 13.661 121 H ASP 19 H ASP 19 13.908 -1.414 9.439 122 HA ASP 19 HA ASP 19 15.963 0.431 8.515 123 HB2 ASP 19 HB2 ASP 19 15.086 -2.332 7.603 124 HB3 ASP 19 HB3 ASP 19 16.474 -1.423 6.859 125 H CYS 20 H CYS 20 12.764 -0.416 7.658 126 HA CYS 20 HA CYS 20 13.070 0.571 4.824 127 HB2 CYS 20 HB2 CYS 20 10.783 -0.846 6.268 128 HB3 CYS 20 HB3 CYS 20 10.809 -0.381 4.562 129 H LEU 21 H LEU 21 11.155 1.781 3.964 130 HA LEU 21 HA LEU 21 10.814 4.207 5.527 131 HB2 LEU 21 HB2 LEU 21 9.647 3.319 2.903 132 HB3 LEU 21 HB3 LEU 21 9.478 4.939 3.533 133 HG LEU 21 HG LEU 21 12.152 3.747 2.618 134 HD11 LEU 21 HD11 LEU 21 10.301 5.783 1.258 135 HD12 LEU 21 HD12 LEU 21 10.474 4.114 0.754 136 HD13 LEU 21 HD13 LEU 21 11.860 5.193 0.623 137 HD21 LEU 21 HD21 LEU 21 12.941 6.064 2.780 138 HD22 LEU 21 HD22 LEU 21 12.333 5.513 4.344 139 HD23 LEU 21 HD23 LEU 21 11.364 6.595 3.360 140 H ALA 22 H ALA 22 8.612 5.135 5.956 141 HA ALA 22 HA ALA 22 6.816 3.214 7.184 142 HB1 ALA 22 HB1 ALA 22 5.243 5.208 7.421 143 HB2 ALA 22 HB2 ALA 22 6.897 5.658 7.935 144 HB3 ALA 22 HB3 ALA 22 6.269 6.146 6.323 145 H GLY 23 H GLY 23 5.177 2.001 6.259 146 HA2 GLY 23 HA2 GLY 23 3.529 1.609 4.434 147 HA3 GLY 23 HA3 GLY 23 4.474 2.630 3.375 148 H CYS 24 H CYS 24 6.875 1.004 4.743 149 HA CYS 24 HA CYS 24 6.775 -1.253 2.782 150 HB2 CYS 24 HB2 CYS 24 9.056 0.458 3.826 151 HB3 CYS 24 HB3 CYS 24 9.294 -0.950 2.780 152 H VAL 25 H VAL 25 7.750 -3.188 3.650 153 HA VAL 25 HA VAL 25 7.941 -3.196 6.695 154 HB VAL 25 HB VAL 25 6.821 -5.488 6.616 155 HG11 VAL 25 HG11 VAL 25 5.196 -3.043 5.709 156 HG12 VAL 25 HG12 VAL 25 4.452 -4.596 6.214 157 HG13 VAL 25 HG13 VAL 25 5.442 -3.662 7.369 158 HG21 VAL 25 HG21 VAL 25 7.188 -5.980 4.149 159 HG22 VAL 25 HG22 VAL 25 5.483 -6.040 4.559 160 HG23 VAL 25 HG23 VAL 25 6.091 -4.619 3.715 161 H CYS 26 H CYS 26 9.109 -5.145 7.472 162 HA CYS 26 HA CYS 26 11.138 -5.986 5.501 163 HB2 CYS 26 HB2 CYS 26 11.983 -4.815 7.596 164 HB3 CYS 26 HB3 CYS 26 11.313 -6.186 8.505 165 H GLY 27 H GLY 27 11.171 -8.059 4.792 166 HA2 GLY 27 HA2 GLY 27 9.106 -9.779 6.113 167 HA3 GLY 27 HA3 GLY 27 9.737 -9.870 4.451 168 HA PRO 28 HA PRO 28 11.514 -13.231 7.354 169 HB2 PRO 28 HB2 PRO 28 10.354 -14.949 5.195 170 HB3 PRO 28 HB3 PRO 28 10.304 -15.180 6.968 171 HG2 PRO 28 HG2 PRO 28 8.159 -14.434 5.622 172 HG3 PRO 28 HG3 PRO 28 8.578 -13.677 7.201 173 HD2 PRO 28 HD2 PRO 28 8.999 -12.642 4.409 174 HD3 PRO 28 HD3 PRO 28 8.309 -11.821 5.901 175 H ASN 29 H ASN 29 11.765 -12.501 3.912 176 HA ASN 29 HA ASN 29 13.964 -14.412 3.505 177 HB2 ASN 29 HB2 ASN 29 12.989 -12.123 1.680 178 HB3 ASN 29 HB3 ASN 29 14.074 -13.462 1.269 179 HD21 ASN 29 HD21 ASN 29 11.430 -12.633 0.175 180 HD22 ASN 29 HD22 ASN 29 10.456 -14.066 0.323 181 H GLY 30 H GLY 30 13.712 -11.470 5.188 182 HA2 GLY 30 HA2 GLY 30 15.417 -10.124 5.994 183 HA3 GLY 30 HA3 GLY 30 16.617 -11.037 5.059 184 H PHE 31 H PHE 31 13.890 -9.932 3.392 185 HA PHE 31 HA PHE 31 15.344 -7.518 2.258 186 HB2 PHE 31 HB2 PHE 31 13.490 -9.465 0.788 187 HB3 PHE 31 HB3 PHE 31 14.171 -7.941 0.145 188 HD1 PHE 31 HD1 PHE 31 14.563 -11.420 0.159 189 HD2 PHE 31 HD2 PHE 31 16.919 -7.821 0.271 190 HE1 PHE 31 HE1 PHE 31 16.474 -12.703 -0.662 191 HE2 PHE 31 HE2 PHE 31 18.883 -9.076 -0.503 192 HZ PHE 31 HZ PHE 31 18.625 -11.578 -1.038 193 H CYS 32 H CYS 32 14.118 -5.783 1.769 194 HA CYS 32 HA CYS 32 11.719 -5.410 3.338 195 HB2 CYS 32 HB2 CYS 32 13.662 -3.627 2.780 196 HB3 CYS 32 HB3 CYS 32 12.792 -3.522 1.256 197 H GLY 33 H GLY 33 9.680 -4.783 2.564 198 HA2 GLY 33 HA2 GLY 33 9.163 -5.383 -0.342 199 HA3 GLY 33 HA3 GLY 33 8.234 -6.264 0.868 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 5.883 -2.674 -0.630 2 H2 GLY 1 H2 GLY 1 4.290 -2.910 -0.973 3 H3 GLY 1 H3 GLY 1 5.413 -2.980 -2.181 4 HA2 GLY 1 HA2 GLY 1 4.204 -0.932 -2.276 5 HA3 GLY 1 HA3 GLY 1 4.714 -0.606 -0.611 6 H CYS 2 H CYS 2 6.173 0.933 -0.602 7 HA CYS 2 HA CYS 2 8.155 1.959 -0.848 8 HB2 CYS 2 HB2 CYS 2 9.205 -0.528 -2.193 9 HB3 CYS 2 HB3 CYS 2 10.060 0.598 -1.126 10 HA PRO 3 HA PRO 3 8.675 3.692 -4.808 11 HB2 PRO 3 HB2 PRO 3 11.331 4.340 -5.056 12 HB3 PRO 3 HB3 PRO 3 10.228 5.237 -3.964 13 HG2 PRO 3 HG2 PRO 3 12.108 2.987 -3.300 14 HG3 PRO 3 HG3 PRO 3 11.939 4.584 -2.503 15 HD2 PRO 3 HD2 PRO 3 10.749 2.400 -1.497 16 HD3 PRO 3 HD3 PRO 3 9.912 3.986 -1.495 17 H ARG 4 H ARG 4 9.045 2.967 -6.900 18 HA ARG 4 HA ARG 4 9.766 0.209 -7.167 19 HB2 ARG 4 HB2 ARG 4 9.389 0.484 -9.544 20 HB3 ARG 4 HB3 ARG 4 8.125 1.345 -8.658 21 HG2 ARG 4 HG2 ARG 4 9.313 3.484 -9.084 22 HG3 ARG 4 HG3 ARG 4 10.562 2.592 -9.984 23 HD2 ARG 4 HD2 ARG 4 8.803 1.750 -11.529 24 HD3 ARG 4 HD3 ARG 4 7.603 2.743 -10.672 25 HE ARG 4 HE ARG 4 9.794 4.373 -11.506 26 HH11 ARG 4 HH11 ARG 4 7.068 2.642 -12.928 27 HH12 ARG 4 HH12 ARG 4 6.948 3.730 -14.291 28 HH21 ARG 4 HH21 ARG 4 9.583 5.739 -13.270 29 HH22 ARG 4 HH22 ARG 4 8.357 5.449 -14.474 30 HA PRO 5 HA PRO 5 14.083 0.652 -7.662 31 HB2 PRO 5 HB2 PRO 5 14.785 -1.528 -9.130 32 HB3 PRO 5 HB3 PRO 5 14.187 -1.662 -7.448 33 HG2 PRO 5 HG2 PRO 5 12.638 -1.976 -10.017 34 HG3 PRO 5 HG3 PRO 5 12.720 -3.074 -8.602 35 HD2 PRO 5 HD2 PRO 5 10.715 -1.307 -8.934 36 HD3 PRO 5 HD3 PRO 5 11.379 -1.684 -7.305 37 H ARG 6 H ARG 6 15.839 0.884 -9.284 38 HA ARG 6 HA ARG 6 15.037 2.733 -11.374 39 HB2 ARG 6 HB2 ARG 6 17.685 1.443 -10.589 40 HB3 ARG 6 HB3 ARG 6 17.529 2.689 -11.848 41 HG2 ARG 6 HG2 ARG 6 16.556 4.228 -10.194 42 HG3 ARG 6 HG3 ARG 6 16.816 3.029 -8.916 43 HD2 ARG 6 HD2 ARG 6 19.205 3.115 -9.204 44 HD3 ARG 6 HD3 ARG 6 19.049 4.049 -10.696 45 HE ARG 6 HE ARG 6 18.752 5.992 -9.492 46 HH11 ARG 6 HH11 ARG 6 18.577 3.295 -7.206 47 HH12 ARG 6 HH12 ARG 6 18.654 4.349 -5.821 48 HH21 ARG 6 HH21 ARG 6 18.847 7.268 -7.681 49 HH22 ARG 6 HH22 ARG 6 18.793 6.552 -6.087 50 H GLY 7 H GLY 7 15.489 -0.612 -11.284 51 HA2 GLY 7 HA2 GLY 7 15.004 -0.997 -14.106 52 HA3 GLY 7 HA3 GLY 7 16.702 -1.402 -13.632 53 H ASP 8 H ASP 8 16.061 -3.763 -13.866 54 HA ASP 8 HA ASP 8 14.003 -4.838 -12.149 55 HB2 ASP 8 HB2 ASP 8 16.262 -6.203 -13.638 56 HB3 ASP 8 HB3 ASP 8 14.811 -6.982 -12.978 57 H ASN 9 H ASN 9 16.321 -3.327 -10.874 58 HA ASN 9 HA ASN 9 18.052 -5.079 -9.527 59 HB2 ASN 9 HB2 ASN 9 16.922 -2.409 -8.605 60 HB3 ASN 9 HB3 ASN 9 18.293 -3.234 -7.849 61 HD21 ASN 9 HD21 ASN 9 18.773 -0.777 -8.600 62 HD22 ASN 9 HD22 ASN 9 19.714 -0.711 -10.079 63 HA PRO 10 HA PRO 10 15.347 -6.944 -6.540 64 HB2 PRO 10 HB2 PRO 10 17.124 -7.762 -4.642 65 HB3 PRO 10 HB3 PRO 10 17.102 -8.476 -6.295 66 HG2 PRO 10 HG2 PRO 10 18.850 -6.281 -5.203 67 HG3 PRO 10 HG3 PRO 10 19.321 -7.778 -6.065 68 HD2 PRO 10 HD2 PRO 10 19.070 -5.416 -7.352 69 HD3 PRO 10 HD3 PRO 10 18.590 -6.952 -8.140 70 HA PRO 11 HA PRO 11 14.483 -4.015 -3.327 71 HB2 PRO 11 HB2 PRO 11 13.566 -5.521 -1.234 72 HB3 PRO 11 HB3 PRO 11 12.635 -5.322 -2.741 73 HG2 PRO 11 HG2 PRO 11 14.498 -7.548 -1.955 74 HG3 PRO 11 HG3 PRO 11 12.796 -7.658 -2.523 75 HD2 PRO 11 HD2 PRO 11 14.851 -8.021 -4.206 76 HD3 PRO 11 HD3 PRO 11 13.407 -7.086 -4.733 77 H LEU 12 H LEU 12 15.159 -3.207 -1.213 78 HA LEU 12 HA LEU 12 17.928 -3.758 -0.660 79 HB2 LEU 12 HB2 LEU 12 17.665 -2.072 1.103 80 HB3 LEU 12 HB3 LEU 12 16.982 -1.520 -0.423 81 HG LEU 12 HG LEU 12 14.816 -2.665 0.953 82 HD11 LEU 12 HD11 LEU 12 16.454 -0.865 2.778 83 HD12 LEU 12 HD12 LEU 12 16.114 -2.592 3.032 84 HD13 LEU 12 HD13 LEU 12 14.786 -1.419 3.074 85 HD21 LEU 12 HD21 LEU 12 13.986 -0.343 0.994 86 HD22 LEU 12 HD22 LEU 12 14.743 -0.739 -0.565 87 HD23 LEU 12 HD23 LEU 12 15.628 0.244 0.628 88 H THR 13 H THR 13 18.846 -4.508 1.291 89 HA THR 13 HA THR 13 17.396 -6.756 2.490 90 HB THR 13 HB THR 13 19.554 -6.981 3.800 91 HG1 THR 13 HG1 THR 13 20.028 -4.677 3.594 92 HG21 THR 13 HG21 THR 13 19.871 -6.770 0.782 93 HG22 THR 13 HG22 THR 13 19.284 -8.190 1.687 94 HG23 THR 13 HG23 THR 13 20.962 -7.639 1.893 95 H CYS 14 H CYS 14 16.898 -6.951 4.713 96 HA CYS 14 HA CYS 14 17.239 -4.595 6.459 97 HB2 CYS 14 HB2 CYS 14 14.801 -4.582 6.966 98 HB3 CYS 14 HB3 CYS 14 15.130 -4.134 5.282 99 H SER 15 H SER 15 16.446 -5.199 8.639 100 HA SER 15 HA SER 15 16.313 -8.148 9.126 101 HB2 SER 15 HB2 SER 15 18.422 -7.955 9.917 102 HB3 SER 15 HB3 SER 15 18.313 -6.181 10.009 103 HG SER 15 HG SER 15 18.457 -6.944 12.089 104 H GLN 16 H GLN 16 15.501 -4.829 9.901 105 HA GLN 16 HA GLN 16 13.132 -5.833 11.433 106 HB2 GLN 16 HB2 GLN 16 13.292 -3.758 12.819 107 HB3 GLN 16 HB3 GLN 16 14.670 -4.844 13.075 108 HG2 GLN 16 HG2 GLN 16 16.041 -3.459 11.568 109 HG3 GLN 16 HG3 GLN 16 14.669 -2.383 11.292 110 HE21 GLN 16 HE21 GLN 16 16.891 -1.229 12.043 111 HE22 GLN 16 HE22 GLN 16 16.810 -0.741 13.735 112 H ASP 17 H ASP 17 11.330 -4.182 11.238 113 HA ASP 17 HA ASP 17 11.035 -3.444 8.449 114 HB2 ASP 17 HB2 ASP 17 8.859 -2.601 9.110 115 HB3 ASP 17 HB3 ASP 17 9.140 -4.177 9.864 116 H SER 18 H SER 18 12.119 -1.851 11.335 117 HA SER 18 HA SER 18 11.752 0.843 10.460 118 HB2 SER 18 HB2 SER 18 12.124 0.184 12.808 119 HB3 SER 18 HB3 SER 18 13.789 -0.302 12.408 120 HG SER 18 HG SER 18 13.890 1.982 11.530 121 H ASP 19 H ASP 19 13.836 -1.489 9.170 122 HA ASP 19 HA ASP 19 16.041 0.349 8.482 123 HB2 ASP 19 HB2 ASP 19 15.324 -2.438 7.478 124 HB3 ASP 19 HB3 ASP 19 16.797 -1.562 7.056 125 H CYS 20 H CYS 20 12.868 -0.305 7.422 126 HA CYS 20 HA CYS 20 13.424 0.296 4.577 127 HB2 CYS 20 HB2 CYS 20 10.983 -0.725 6.046 128 HB3 CYS 20 HB3 CYS 20 11.015 -0.324 4.336 129 H LEU 21 H LEU 21 11.660 1.568 3.464 130 HA LEU 21 HA LEU 21 11.397 4.206 4.610 131 HB2 LEU 21 HB2 LEU 21 9.898 2.875 2.311 132 HB3 LEU 21 HB3 LEU 21 9.862 4.580 2.693 133 HG LEU 21 HG LEU 21 11.165 4.425 0.786 134 HD11 LEU 21 HD11 LEU 21 12.195 5.850 2.548 135 HD12 LEU 21 HD12 LEU 21 13.375 5.195 1.399 136 HD13 LEU 21 HD13 LEU 21 13.229 4.481 3.015 137 HD21 LEU 21 HD21 LEU 21 11.561 1.938 0.899 138 HD22 LEU 21 HD22 LEU 21 12.935 2.255 1.996 139 HD23 LEU 21 HD23 LEU 21 12.950 2.889 0.341 140 H ALA 22 H ALA 22 9.411 5.149 5.390 141 HA ALA 22 HA ALA 22 7.734 3.440 6.938 142 HB1 ALA 22 HB1 ALA 22 7.210 6.263 5.885 143 HB2 ALA 22 HB2 ALA 22 6.306 5.460 7.189 144 HB3 ALA 22 HB3 ALA 22 8.024 5.862 7.421 145 H GLY 23 H GLY 23 5.880 2.361 6.397 146 HA2 GLY 23 HA2 GLY 23 3.944 1.945 5.064 147 HA3 GLY 23 HA3 GLY 23 4.660 2.889 3.741 148 H CYS 24 H CYS 24 7.112 1.000 4.953 149 HA CYS 24 HA CYS 24 6.468 -1.341 3.194 150 HB2 CYS 24 HB2 CYS 24 9.145 -0.052 3.758 151 HB3 CYS 24 HB3 CYS 24 8.896 -1.523 2.823 152 H VAL 25 H VAL 25 7.625 -3.326 3.980 153 HA VAL 25 HA VAL 25 8.232 -3.199 6.912 154 HB VAL 25 HB VAL 25 7.059 -5.386 7.216 155 HG11 VAL 25 HG11 VAL 25 4.774 -4.510 7.255 156 HG12 VAL 25 HG12 VAL 25 5.913 -3.232 7.740 157 HG13 VAL 25 HG13 VAL 25 5.212 -3.220 6.105 158 HG21 VAL 25 HG21 VAL 25 7.124 -6.199 4.864 159 HG22 VAL 25 HG22 VAL 25 5.467 -6.196 5.494 160 HG23 VAL 25 HG23 VAL 25 5.984 -4.912 4.379 161 H CYS 26 H CYS 26 9.444 -5.189 7.630 162 HA CYS 26 HA CYS 26 11.295 -6.017 5.458 163 HB2 CYS 26 HB2 CYS 26 12.201 -5.134 7.610 164 HB3 CYS 26 HB3 CYS 26 11.478 -6.512 8.464 165 H GLY 27 H GLY 27 11.133 -8.012 4.550 166 HA2 GLY 27 HA2 GLY 27 8.995 -9.751 5.581 167 HA3 GLY 27 HA3 GLY 27 9.827 -9.894 4.030 168 HA PRO 28 HA PRO 28 11.305 -13.019 7.353 169 HB2 PRO 28 HB2 PRO 28 10.314 -14.904 5.231 170 HB3 PRO 28 HB3 PRO 28 10.177 -15.023 7.009 171 HG2 PRO 28 HG2 PRO 28 8.064 -14.365 5.558 172 HG3 PRO 28 HG3 PRO 28 8.420 -13.483 7.093 173 HD2 PRO 28 HD2 PRO 28 8.990 -12.653 4.239 174 HD3 PRO 28 HD3 PRO 28 8.267 -11.704 5.591 175 H ASN 29 H ASN 29 11.860 -12.454 3.962 176 HA ASN 29 HA ASN 29 14.074 -14.392 3.798 177 HB2 ASN 29 HB2 ASN 29 13.013 -12.295 1.836 178 HB3 ASN 29 HB3 ASN 29 14.331 -13.426 1.498 179 HD21 ASN 29 HD21 ASN 29 12.552 -13.674 -0.280 180 HD22 ASN 29 HD22 ASN 29 11.474 -15.021 -0.014 181 H GLY 30 H GLY 30 13.820 -11.412 5.276 182 HA2 GLY 30 HA2 GLY 30 15.543 -10.036 6.037 183 HA3 GLY 30 HA3 GLY 30 16.702 -10.982 5.080 184 H PHE 31 H PHE 31 13.855 -9.844 3.485 185 HA PHE 31 HA PHE 31 15.333 -7.564 2.266 186 HB2 PHE 31 HB2 PHE 31 13.666 -9.681 0.869 187 HB3 PHE 31 HB3 PHE 31 14.104 -8.134 0.153 188 HD1 PHE 31 HD1 PHE 31 15.219 -11.498 0.864 189 HD2 PHE 31 HD2 PHE 31 16.549 -7.559 -0.208 190 HE1 PHE 31 HE1 PHE 31 17.360 -12.457 0.062 191 HE2 PHE 31 HE2 PHE 31 18.692 -8.514 -1.043 192 HZ PHE 31 HZ PHE 31 19.102 -10.959 -0.907 193 H CYS 32 H CYS 32 14.063 -5.826 1.669 194 HA CYS 32 HA CYS 32 11.736 -5.473 3.342 195 HB2 CYS 32 HB2 CYS 32 13.549 -3.783 2.657 196 HB3 CYS 32 HB3 CYS 32 12.702 -3.669 1.113 197 H GLY 33 H GLY 33 9.570 -4.777 2.568 198 HA2 GLY 33 HA2 GLY 33 8.971 -5.237 -0.273 199 HA3 GLY 33 HA3 GLY 33 8.189 -6.347 0.868 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 4.572 4.254 -2.097 2 H2 GLY 1 H2 GLY 1 5.879 5.054 -1.640 3 H3 GLY 1 H3 GLY 1 5.843 4.426 -3.148 4 HA2 GLY 1 HA2 GLY 1 5.861 2.963 -0.665 5 HA3 GLY 1 HA3 GLY 1 5.756 2.221 -2.252 6 H CYS 2 H CYS 2 7.849 1.191 -1.253 7 HA CYS 2 HA CYS 2 10.202 2.779 -1.061 8 HB2 CYS 2 HB2 CYS 2 9.549 -0.129 -1.152 9 HB3 CYS 2 HB3 CYS 2 11.242 0.336 -1.472 10 HA PRO 3 HA PRO 3 10.631 3.529 -5.172 11 HB2 PRO 3 HB2 PRO 3 13.097 4.529 -5.485 12 HB3 PRO 3 HB3 PRO 3 11.859 5.293 -4.442 13 HG2 PRO 3 HG2 PRO 3 14.100 3.459 -3.550 14 HG3 PRO 3 HG3 PRO 3 13.680 5.137 -3.025 15 HD2 PRO 3 HD2 PRO 3 12.754 2.907 -1.700 16 HD3 PRO 3 HD3 PRO 3 11.769 4.391 -1.871 17 H ARG 4 H ARG 4 11.332 2.925 -7.213 18 HA ARG 4 HA ARG 4 13.286 0.713 -7.423 19 HB2 ARG 4 HB2 ARG 4 10.814 1.148 -9.064 20 HB3 ARG 4 HB3 ARG 4 11.976 -0.136 -9.340 21 HG2 ARG 4 HG2 ARG 4 11.357 -1.190 -7.257 22 HG3 ARG 4 HG3 ARG 4 10.212 0.123 -6.874 23 HD2 ARG 4 HD2 ARG 4 9.114 -1.961 -7.786 24 HD3 ARG 4 HD3 ARG 4 8.791 -0.532 -8.813 25 HE ARG 4 HE ARG 4 11.047 -2.045 -9.794 26 HH11 ARG 4 HH11 ARG 4 7.536 -2.182 -9.551 27 HH12 ARG 4 HH12 ARG 4 7.367 -3.173 -11.016 28 HH21 ARG 4 HH21 ARG 4 10.830 -3.301 -11.646 29 HH22 ARG 4 HH22 ARG 4 9.242 -3.813 -12.195 30 HA PRO 5 HA PRO 5 14.340 4.635 -9.632 31 HB2 PRO 5 HB2 PRO 5 16.977 4.673 -9.259 32 HB3 PRO 5 HB3 PRO 5 15.826 5.181 -7.988 33 HG2 PRO 5 HG2 PRO 5 17.090 2.485 -8.276 34 HG3 PRO 5 HG3 PRO 5 17.078 3.584 -6.876 35 HD2 PRO 5 HD2 PRO 5 15.295 1.671 -7.058 36 HD3 PRO 5 HD3 PRO 5 14.841 3.320 -6.535 37 H ARG 6 H ARG 6 15.558 1.404 -10.078 38 HA ARG 6 HA ARG 6 16.530 2.203 -12.800 39 HB2 ARG 6 HB2 ARG 6 18.134 0.944 -11.329 40 HB3 ARG 6 HB3 ARG 6 17.018 -0.449 -11.400 41 HG2 ARG 6 HG2 ARG 6 17.807 -1.079 -13.409 42 HG3 ARG 6 HG3 ARG 6 17.607 0.573 -14.076 43 HD2 ARG 6 HD2 ARG 6 19.885 0.008 -12.198 44 HD3 ARG 6 HD3 ARG 6 19.951 -0.410 -13.878 45 HE ARG 6 HE ARG 6 19.033 2.236 -13.753 46 HH11 ARG 6 HH11 ARG 6 21.997 0.359 -13.379 47 HH12 ARG 6 HH12 ARG 6 23.033 1.692 -13.849 48 HH21 ARG 6 HH21 ARG 6 20.428 3.902 -14.312 49 HH22 ARG 6 HH22 ARG 6 22.126 3.678 -14.340 50 H GLY 7 H GLY 7 14.384 0.042 -10.921 51 HA2 GLY 7 HA2 GLY 7 12.196 -0.551 -11.683 52 HA3 GLY 7 HA3 GLY 7 12.735 -0.314 -13.367 53 H ASP 8 H ASP 8 15.289 -1.710 -12.836 54 HA ASP 8 HA ASP 8 14.352 -4.532 -12.879 55 HB2 ASP 8 HB2 ASP 8 17.025 -3.262 -13.625 56 HB3 ASP 8 HB3 ASP 8 16.594 -4.993 -13.871 57 H ASN 9 H ASN 9 15.367 -2.286 -10.692 58 HA ASN 9 HA ASN 9 17.646 -3.709 -9.565 59 HB2 ASN 9 HB2 ASN 9 17.493 -1.941 -7.799 60 HB3 ASN 9 HB3 ASN 9 17.412 -1.297 -9.446 61 HD21 ASN 9 HD21 ASN 9 15.679 -2.022 -6.507 62 HD22 ASN 9 HD22 ASN 9 14.268 -0.993 -6.829 63 HA PRO 10 HA PRO 10 15.449 -6.626 -6.972 64 HB2 PRO 10 HB2 PRO 10 17.466 -7.252 -5.240 65 HB3 PRO 10 HB3 PRO 10 17.471 -7.803 -6.927 66 HG2 PRO 10 HG2 PRO 10 18.951 -5.504 -5.737 67 HG3 PRO 10 HG3 PRO 10 19.479 -6.768 -6.862 68 HD2 PRO 10 HD2 PRO 10 18.768 -4.334 -7.765 69 HD3 PRO 10 HD3 PRO 10 18.418 -5.831 -8.664 70 HA PRO 11 HA PRO 11 14.265 -4.326 -3.390 71 HB2 PRO 11 HB2 PRO 11 13.746 -6.194 -1.492 72 HB3 PRO 11 HB3 PRO 11 12.698 -6.025 -2.899 73 HG2 PRO 11 HG2 PRO 11 14.998 -7.937 -2.451 74 HG3 PRO 11 HG3 PRO 11 13.294 -8.342 -3.021 75 HD2 PRO 11 HD2 PRO 11 15.299 -8.074 -4.781 76 HD3 PRO 11 HD3 PRO 11 13.675 -7.444 -5.142 77 H LEU 12 H LEU 12 15.065 -3.456 -1.484 78 HA LEU 12 HA LEU 12 17.925 -3.866 -0.938 79 HB2 LEU 12 HB2 LEU 12 17.644 -2.151 0.724 80 HB3 LEU 12 HB3 LEU 12 16.840 -1.614 -0.734 81 HG LEU 12 HG LEU 12 15.239 -2.786 1.528 82 HD11 LEU 12 HD11 LEU 12 15.051 -0.611 2.544 83 HD12 LEU 12 HD12 LEU 12 16.244 0.079 1.368 84 HD13 LEU 12 HD13 LEU 12 16.743 -1.189 2.537 85 HD21 LEU 12 HD21 LEU 12 13.483 -1.181 0.641 86 HD22 LEU 12 HD22 LEU 12 14.003 -2.375 -0.558 87 HD23 LEU 12 HD23 LEU 12 14.616 -0.703 -0.638 88 H THR 13 H THR 13 18.800 -4.454 1.159 89 HA THR 13 HA THR 13 17.364 -6.722 2.367 90 HB THR 13 HB THR 13 19.375 -6.733 3.833 91 HG1 THR 13 HG1 THR 13 20.668 -5.101 3.782 92 HG21 THR 13 HG21 THR 13 19.333 -8.128 1.901 93 HG22 THR 13 HG22 THR 13 20.913 -7.340 1.885 94 HG23 THR 13 HG23 THR 13 19.639 -6.744 0.801 95 H CYS 14 H CYS 14 17.017 -6.999 4.658 96 HA CYS 14 HA CYS 14 17.146 -4.557 6.316 97 HB2 CYS 14 HB2 CYS 14 14.714 -4.604 6.880 98 HB3 CYS 14 HB3 CYS 14 14.938 -4.354 5.136 99 H SER 15 H SER 15 16.591 -5.060 8.649 100 HA SER 15 HA SER 15 16.540 -8.009 9.149 101 HB2 SER 15 HB2 SER 15 18.626 -7.786 9.923 102 HB3 SER 15 HB3 SER 15 18.544 -6.021 9.935 103 HG SER 15 HG SER 15 17.049 -7.443 11.816 104 H GLN 16 H GLN 16 15.337 -4.875 9.662 105 HA GLN 16 HA GLN 16 13.259 -5.965 11.488 106 HB2 GLN 16 HB2 GLN 16 13.373 -3.878 12.860 107 HB3 GLN 16 HB3 GLN 16 14.754 -4.908 13.014 108 HG2 GLN 16 HG2 GLN 16 16.035 -3.417 11.465 109 HG3 GLN 16 HG3 GLN 16 14.657 -2.305 11.355 110 HE21 GLN 16 HE21 GLN 16 16.897 -1.173 12.214 111 HE22 GLN 16 HE22 GLN 16 16.869 -0.894 13.993 112 H ASP 17 H ASP 17 11.362 -4.454 11.457 113 HA ASP 17 HA ASP 17 10.680 -3.502 8.881 114 HB2 ASP 17 HB2 ASP 17 9.100 -4.184 10.575 115 HB3 ASP 17 HB3 ASP 17 9.669 -2.915 11.676 116 H SER 18 H SER 18 12.116 -1.865 11.679 117 HA SER 18 HA SER 18 11.744 0.827 10.759 118 HB2 SER 18 HB2 SER 18 14.228 0.467 12.221 119 HB3 SER 18 HB3 SER 18 12.679 1.172 12.738 120 HG SER 18 HG SER 18 13.369 -0.772 13.931 121 H ASP 19 H ASP 19 13.891 -1.628 9.442 122 HA ASP 19 HA ASP 19 15.971 0.206 8.547 123 HB2 ASP 19 HB2 ASP 19 15.216 -2.623 7.808 124 HB3 ASP 19 HB3 ASP 19 16.600 -1.742 7.032 125 H CYS 20 H CYS 20 12.801 -0.422 7.681 126 HA CYS 20 HA CYS 20 13.273 0.423 4.814 127 HB2 CYS 20 HB2 CYS 20 10.851 -0.881 6.130 128 HB3 CYS 20 HB3 CYS 20 10.991 -0.382 4.437 129 H LEU 21 H LEU 21 11.384 1.707 3.885 130 HA LEU 21 HA LEU 21 11.242 4.173 5.442 131 HB2 LEU 21 HB2 LEU 21 9.998 3.322 2.824 132 HB3 LEU 21 HB3 LEU 21 9.966 4.974 3.432 133 HG LEU 21 HG LEU 21 12.463 3.531 2.492 134 HD11 LEU 21 HD11 LEU 21 12.363 5.000 0.515 135 HD12 LEU 21 HD12 LEU 21 10.931 5.823 1.180 136 HD13 LEU 21 HD13 LEU 21 10.843 4.127 0.665 137 HD21 LEU 21 HD21 LEU 21 13.015 5.176 4.197 138 HD22 LEU 21 HD22 LEU 21 12.045 6.436 3.349 139 HD23 LEU 21 HD23 LEU 21 13.557 5.771 2.584 140 H ALA 22 H ALA 22 9.165 5.230 5.901 141 HA ALA 22 HA ALA 22 7.244 3.485 7.179 142 HB1 ALA 22 HB1 ALA 22 5.823 5.585 7.396 143 HB2 ALA 22 HB2 ALA 22 7.517 5.982 7.826 144 HB3 ALA 22 HB3 ALA 22 6.895 6.443 6.229 145 H GLY 23 H GLY 23 5.630 2.288 6.254 146 HA2 GLY 23 HA2 GLY 23 3.868 1.994 4.516 147 HA3 GLY 23 HA3 GLY 23 4.823 2.944 3.414 148 H CYS 24 H CYS 24 7.104 1.063 4.794 149 HA CYS 24 HA CYS 24 6.748 -1.161 2.811 150 HB2 CYS 24 HB2 CYS 24 9.258 0.219 3.730 151 HB3 CYS 24 HB3 CYS 24 9.194 -1.130 2.583 152 H VAL 25 H VAL 25 7.774 -3.184 3.713 153 HA VAL 25 HA VAL 25 8.137 -3.016 6.726 154 HB VAL 25 HB VAL 25 6.930 -5.223 6.926 155 HG11 VAL 25 HG11 VAL 25 5.739 -2.970 7.311 156 HG12 VAL 25 HG12 VAL 25 5.015 -3.235 5.697 157 HG13 VAL 25 HG13 VAL 25 4.743 -4.401 6.996 158 HG21 VAL 25 HG21 VAL 25 7.132 -5.971 4.501 159 HG22 VAL 25 HG22 VAL 25 5.450 -5.927 4.972 160 HG23 VAL 25 HG23 VAL 25 6.117 -4.616 3.984 161 H CYS 26 H CYS 26 9.150 -5.098 7.530 162 HA CYS 26 HA CYS 26 11.117 -6.008 5.521 163 HB2 CYS 26 HB2 CYS 26 12.030 -4.963 7.628 164 HB3 CYS 26 HB3 CYS 26 11.277 -6.316 8.520 165 H GLY 27 H GLY 27 11.044 -8.062 4.704 166 HA2 GLY 27 HA2 GLY 27 8.996 -9.804 5.976 167 HA3 GLY 27 HA3 GLY 27 9.719 -9.923 4.335 168 HA PRO 28 HA PRO 28 11.539 -12.984 7.436 169 HB2 PRO 28 HB2 PRO 28 10.648 -15.360 6.539 170 HB3 PRO 28 HB3 PRO 28 9.634 -14.194 7.469 171 HG2 PRO 28 HG2 PRO 28 9.884 -14.456 4.443 172 HG3 PRO 28 HG3 PRO 28 8.404 -14.644 5.479 173 HD2 PRO 28 HD2 PRO 28 9.014 -12.301 4.255 174 HD3 PRO 28 HD3 PRO 28 8.293 -12.386 5.921 175 H ASN 29 H ASN 29 11.867 -12.464 4.050 176 HA ASN 29 HA ASN 29 14.035 -14.427 3.680 177 HB2 ASN 29 HB2 ASN 29 12.315 -13.649 1.862 178 HB3 ASN 29 HB3 ASN 29 13.281 -12.144 1.738 179 HD21 ASN 29 HD21 ASN 29 13.658 -12.808 -0.489 180 HD22 ASN 29 HD22 ASN 29 14.891 -13.997 -0.891 181 H GLY 30 H GLY 30 13.724 -11.425 5.244 182 HA2 GLY 30 HA2 GLY 30 15.379 -10.004 6.034 183 HA3 GLY 30 HA3 GLY 30 16.647 -10.973 5.234 184 H PHE 31 H PHE 31 13.911 -9.890 3.426 185 HA PHE 31 HA PHE 31 15.410 -7.483 2.311 186 HB2 PHE 31 HB2 PHE 31 13.801 -9.651 0.802 187 HB3 PHE 31 HB3 PHE 31 14.227 -8.045 0.122 188 HD1 PHE 31 HD1 PHE 31 15.472 -11.428 0.918 189 HD2 PHE 31 HD2 PHE 31 16.622 -7.504 -0.427 190 HE1 PHE 31 HE1 PHE 31 17.595 -12.364 0.173 191 HE2 PHE 31 HE2 PHE 31 18.784 -8.401 -1.149 192 HZ PHE 31 HZ PHE 31 19.240 -10.892 -0.923 193 H CYS 32 H CYS 32 14.132 -5.814 1.749 194 HA CYS 32 HA CYS 32 11.766 -5.482 3.362 195 HB2 CYS 32 HB2 CYS 32 13.646 -3.686 2.658 196 HB3 CYS 32 HB3 CYS 32 12.695 -3.645 1.172 197 H GLY 33 H GLY 33 9.710 -4.987 2.648 198 HA2 GLY 33 HA2 GLY 33 8.996 -5.471 -0.182 199 HA3 GLY 33 HA3 GLY 33 8.432 -6.704 0.969 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 3.707 -3.052 -2.421 2 H2 GLY 1 H2 GLY 1 3.814 -1.445 -2.435 3 H3 GLY 1 H3 GLY 1 4.374 -2.306 -3.735 4 HA2 GLY 1 HA2 GLY 1 5.473 -2.627 -1.101 5 HA3 GLY 1 HA3 GLY 1 6.132 -3.118 -2.663 6 H CYS 2 H CYS 2 7.971 -1.827 -1.440 7 HA CYS 2 HA CYS 2 7.764 0.972 -1.338 8 HB2 CYS 2 HB2 CYS 2 10.282 -0.662 -1.750 9 HB3 CYS 2 HB3 CYS 2 10.172 0.926 -0.994 10 HA PRO 3 HA PRO 3 8.476 2.167 -5.420 11 HB2 PRO 3 HB2 PRO 3 9.382 4.668 -5.319 12 HB3 PRO 3 HB3 PRO 3 7.780 4.201 -4.689 13 HG2 PRO 3 HG2 PRO 3 10.285 4.696 -3.108 14 HG3 PRO 3 HG3 PRO 3 8.597 5.279 -2.863 15 HD2 PRO 3 HD2 PRO 3 9.748 3.023 -1.649 16 HD3 PRO 3 HD3 PRO 3 7.996 3.306 -1.826 17 H ARG 4 H ARG 4 9.992 2.432 -7.073 18 HA ARG 4 HA ARG 4 12.786 2.415 -6.553 19 HB2 ARG 4 HB2 ARG 4 13.119 0.371 -7.808 20 HB3 ARG 4 HB3 ARG 4 12.576 0.174 -6.281 21 HG2 ARG 4 HG2 ARG 4 10.370 -0.134 -7.151 22 HG3 ARG 4 HG3 ARG 4 10.987 -0.051 -8.661 23 HD2 ARG 4 HD2 ARG 4 11.007 -2.268 -8.415 24 HD3 ARG 4 HD3 ARG 4 12.471 -1.944 -7.768 25 HE ARG 4 HE ARG 4 10.084 -2.551 -6.263 26 HH11 ARG 4 HH11 ARG 4 10.440 -3.464 -4.224 27 HH12 ARG 4 HH12 ARG 4 12.053 -3.626 -3.616 28 HH21 ARG 4 HH21 ARG 4 13.563 -2.217 -6.441 29 HH22 ARG 4 HH22 ARG 4 13.834 -2.916 -4.880 30 HA PRO 5 HA PRO 5 12.378 4.594 -10.302 31 HB2 PRO 5 HB2 PRO 5 14.785 4.602 -11.399 32 HB3 PRO 5 HB3 PRO 5 14.460 5.453 -9.862 33 HG2 PRO 5 HG2 PRO 5 15.609 2.701 -10.206 34 HG3 PRO 5 HG3 PRO 5 16.225 4.068 -9.249 35 HD2 PRO 5 HD2 PRO 5 14.763 2.153 -8.130 36 HD3 PRO 5 HD3 PRO 5 14.609 3.871 -7.690 37 H ARG 6 H ARG 6 13.524 1.298 -10.508 38 HA ARG 6 HA ARG 6 12.294 0.995 -13.186 39 HB2 ARG 6 HB2 ARG 6 15.143 0.159 -12.521 40 HB3 ARG 6 HB3 ARG 6 14.244 -0.484 -13.913 41 HG2 ARG 6 HG2 ARG 6 14.165 1.635 -14.962 42 HG3 ARG 6 HG3 ARG 6 14.898 2.431 -13.503 43 HD2 ARG 6 HD2 ARG 6 16.935 1.214 -13.795 44 HD3 ARG 6 HD3 ARG 6 16.255 0.251 -15.060 45 HE ARG 6 HE ARG 6 17.235 2.993 -15.364 46 HH11 ARG 6 HH11 ARG 6 15.541 0.272 -16.874 47 HH12 ARG 6 HH12 ARG 6 15.791 0.902 -18.495 48 HH21 ARG 6 HH21 ARG 6 17.484 3.691 -17.406 49 HH22 ARG 6 HH22 ARG 6 16.882 2.777 -18.778 50 H GLY 7 H GLY 7 11.747 -1.394 -13.374 51 HA2 GLY 7 HA2 GLY 7 11.245 -2.376 -10.623 52 HA3 GLY 7 HA3 GLY 7 10.445 -2.903 -12.137 53 H ASP 8 H ASP 8 13.845 -2.733 -12.494 54 HA ASP 8 HA ASP 8 13.969 -5.657 -12.519 55 HB2 ASP 8 HB2 ASP 8 14.935 -4.253 -14.366 56 HB3 ASP 8 HB3 ASP 8 16.092 -3.629 -13.179 57 H ASN 9 H ASN 9 15.250 -2.899 -10.647 58 HA ASN 9 HA ASN 9 17.325 -4.504 -9.509 59 HB2 ASN 9 HB2 ASN 9 17.665 -2.562 -7.936 60 HB3 ASN 9 HB3 ASN 9 17.606 -2.122 -9.663 61 HD21 ASN 9 HD21 ASN 9 16.138 -0.554 -10.254 62 HD22 ASN 9 HD22 ASN 9 14.874 0.024 -9.168 63 HA PRO 10 HA PRO 10 15.227 -6.665 -6.400 64 HB2 PRO 10 HB2 PRO 10 17.219 -7.270 -4.653 65 HB3 PRO 10 HB3 PRO 10 17.122 -7.996 -6.287 66 HG2 PRO 10 HG2 PRO 10 18.814 -5.685 -5.353 67 HG3 PRO 10 HG3 PRO 10 19.218 -7.077 -6.358 68 HD2 PRO 10 HD2 PRO 10 18.639 -4.708 -7.500 69 HD3 PRO 10 HD3 PRO 10 18.212 -6.255 -8.229 70 HA PRO 11 HA PRO 11 14.273 -3.938 -3.030 71 HB2 PRO 11 HB2 PRO 11 13.544 -5.667 -1.084 72 HB3 PRO 11 HB3 PRO 11 12.494 -5.362 -2.487 73 HG2 PRO 11 HG2 PRO 11 14.477 -7.606 -2.046 74 HG3 PRO 11 HG3 PRO 11 12.725 -7.725 -2.584 75 HD2 PRO 11 HD2 PRO 11 14.742 -7.805 -4.329 76 HD3 PRO 11 HD3 PRO 11 13.225 -6.959 -4.754 77 H LEU 12 H LEU 12 15.175 -3.112 -1.090 78 HA LEU 12 HA LEU 12 17.978 -3.791 -0.672 79 HB2 LEU 12 HB2 LEU 12 17.816 -2.138 1.166 80 HB3 LEU 12 HB3 LEU 12 17.156 -1.508 -0.317 81 HG LEU 12 HG LEU 12 15.008 -2.577 1.247 82 HD11 LEU 12 HD11 LEU 12 15.070 -1.080 3.143 83 HD12 LEU 12 HD12 LEU 12 16.711 -0.509 2.690 84 HD13 LEU 12 HD13 LEU 12 16.439 -2.222 3.185 85 HD21 LEU 12 HD21 LEU 12 15.739 0.274 0.439 86 HD22 LEU 12 HD22 LEU 12 14.125 -0.313 0.891 87 HD23 LEU 12 HD23 LEU 12 14.866 -0.901 -0.609 88 H THR 13 H THR 13 18.961 -4.565 1.264 89 HA THR 13 HA THR 13 17.467 -6.745 2.489 90 HB THR 13 HB THR 13 19.447 -6.941 3.972 91 HG1 THR 13 HG1 THR 13 20.819 -5.086 2.389 92 HG21 THR 13 HG21 THR 13 20.947 -7.663 2.248 93 HG22 THR 13 HG22 THR 13 20.116 -6.653 1.008 94 HG23 THR 13 HG23 THR 13 19.275 -8.030 1.752 95 H CYS 14 H CYS 14 16.937 -6.994 4.729 96 HA CYS 14 HA CYS 14 17.187 -4.604 6.477 97 HB2 CYS 14 HB2 CYS 14 14.742 -4.510 6.918 98 HB3 CYS 14 HB3 CYS 14 15.076 -4.203 5.204 99 H SER 15 H SER 15 16.325 -5.143 8.720 100 HA SER 15 HA SER 15 16.011 -8.065 9.173 101 HB2 SER 15 HB2 SER 15 18.033 -8.141 10.060 102 HB3 SER 15 HB3 SER 15 18.182 -6.379 10.141 103 HG SER 15 HG SER 15 16.384 -7.620 11.885 104 H GLN 16 H GLN 16 15.192 -4.792 9.755 105 HA GLN 16 HA GLN 16 12.835 -5.704 11.368 106 HB2 GLN 16 HB2 GLN 16 13.041 -3.511 12.619 107 HB3 GLN 16 HB3 GLN 16 14.248 -4.699 13.021 108 HG2 GLN 16 HG2 GLN 16 15.861 -3.509 11.520 109 HG3 GLN 16 HG3 GLN 16 14.693 -2.203 11.282 110 HE21 GLN 16 HE21 GLN 16 16.766 -1.115 12.215 111 HE22 GLN 16 HE22 GLN 16 16.789 -0.911 13.984 112 H ASP 17 H ASP 17 11.085 -3.873 10.973 113 HA ASP 17 HA ASP 17 11.094 -3.149 8.196 114 HB2 ASP 17 HB2 ASP 17 8.915 -2.465 8.492 115 HB3 ASP 17 HB3 ASP 17 9.082 -3.776 9.655 116 H SER 18 H SER 18 12.034 -1.601 11.159 117 HA SER 18 HA SER 18 11.925 1.143 10.285 118 HB2 SER 18 HB2 SER 18 14.163 0.714 12.025 119 HB3 SER 18 HB3 SER 18 12.536 1.334 12.410 120 HG SER 18 HG SER 18 13.110 -0.631 13.579 121 H ASP 19 H ASP 19 14.020 -1.393 9.168 122 HA ASP 19 HA ASP 19 16.313 0.328 8.526 123 HB2 ASP 19 HB2 ASP 19 15.489 -2.401 7.493 124 HB3 ASP 19 HB3 ASP 19 17.052 -1.591 7.110 125 H CYS 20 H CYS 20 13.223 -0.182 7.317 126 HA CYS 20 HA CYS 20 14.033 0.672 4.545 127 HB2 CYS 20 HB2 CYS 20 12.702 -1.542 5.183 128 HB3 CYS 20 HB3 CYS 20 11.306 -0.477 5.166 129 H LEU 21 H LEU 21 11.573 1.525 3.562 130 HA LEU 21 HA LEU 21 11.581 4.201 4.654 131 HB2 LEU 21 HB2 LEU 21 9.901 2.991 2.489 132 HB3 LEU 21 HB3 LEU 21 10.010 4.707 2.821 133 HG LEU 21 HG LEU 21 12.155 2.949 1.547 134 HD11 LEU 21 HD11 LEU 21 10.231 3.742 0.164 135 HD12 LEU 21 HD12 LEU 21 11.803 4.428 -0.382 136 HD13 LEU 21 HD13 LEU 21 10.662 5.417 0.539 137 HD21 LEU 21 HD21 LEU 21 13.267 4.572 3.037 138 HD22 LEU 21 HD22 LEU 21 12.316 5.918 2.336 139 HD23 LEU 21 HD23 LEU 21 13.523 5.034 1.331 140 H ALA 22 H ALA 22 9.577 5.303 5.368 141 HA ALA 22 HA ALA 22 8.131 3.711 7.317 142 HB1 ALA 22 HB1 ALA 22 7.294 6.524 6.217 143 HB2 ALA 22 HB2 ALA 22 6.765 5.784 7.738 144 HB3 ALA 22 HB3 ALA 22 8.455 6.298 7.534 145 H GLY 23 H GLY 23 6.312 2.498 7.079 146 HA2 GLY 23 HA2 GLY 23 4.194 1.876 6.015 147 HA3 GLY 23 HA3 GLY 23 4.675 2.748 4.571 148 H CYS 24 H CYS 24 7.440 1.260 4.904 149 HA CYS 24 HA CYS 24 6.613 -0.994 3.168 150 HB2 CYS 24 HB2 CYS 24 9.240 0.228 3.969 151 HB3 CYS 24 HB3 CYS 24 9.136 -1.313 3.146 152 H VAL 25 H VAL 25 7.632 -3.176 3.741 153 HA VAL 25 HA VAL 25 7.762 -3.435 6.784 154 HB VAL 25 HB VAL 25 6.767 -5.691 6.504 155 HG11 VAL 25 HG11 VAL 25 5.407 -3.592 7.128 156 HG12 VAL 25 HG12 VAL 25 4.841 -3.611 5.429 157 HG13 VAL 25 HG13 VAL 25 4.521 -5.010 6.513 158 HG21 VAL 25 HG21 VAL 25 5.487 -6.143 4.319 159 HG22 VAL 25 HG22 VAL 25 6.209 -4.661 3.635 160 HG23 VAL 25 HG23 VAL 25 7.246 -6.049 4.029 161 H CYS 26 H CYS 26 8.774 -5.650 7.350 162 HA CYS 26 HA CYS 26 10.946 -6.205 5.445 163 HB2 CYS 26 HB2 CYS 26 11.816 -5.003 7.475 164 HB3 CYS 26 HB3 CYS 26 11.190 -6.355 8.438 165 H GLY 27 H GLY 27 10.842 -8.255 4.612 166 HA2 GLY 27 HA2 GLY 27 9.006 -10.098 6.020 167 HA3 GLY 27 HA3 GLY 27 9.631 -10.231 4.383 168 HA PRO 28 HA PRO 28 11.873 -12.946 7.579 169 HB2 PRO 28 HB2 PRO 28 11.180 -15.440 6.805 170 HB3 PRO 28 HB3 PRO 28 10.115 -14.370 7.773 171 HG2 PRO 28 HG2 PRO 28 10.167 -14.741 4.771 172 HG3 PRO 28 HG3 PRO 28 8.797 -14.993 5.939 173 HD2 PRO 28 HD2 PRO 28 9.095 -12.689 4.538 174 HD3 PRO 28 HD3 PRO 28 8.495 -12.740 6.270 175 H ASN 29 H ASN 29 11.818 -12.788 4.059 176 HA ASN 29 HA ASN 29 14.147 -14.478 3.600 177 HB2 ASN 29 HB2 ASN 29 12.302 -13.808 1.896 178 HB3 ASN 29 HB3 ASN 29 13.170 -12.239 1.722 179 HD21 ASN 29 HD21 ASN 29 13.530 -12.859 -0.526 180 HD22 ASN 29 HD22 ASN 29 14.795 -14.007 -0.968 181 H GLY 30 H GLY 30 13.795 -11.480 5.183 182 HA2 GLY 30 HA2 GLY 30 15.449 -10.063 5.926 183 HA3 GLY 30 HA3 GLY 30 16.682 -10.982 5.043 184 H PHE 31 H PHE 31 13.914 -9.896 3.364 185 HA PHE 31 HA PHE 31 15.344 -7.435 2.302 186 HB2 PHE 31 HB2 PHE 31 13.727 -9.485 0.704 187 HB3 PHE 31 HB3 PHE 31 14.283 -7.911 0.120 188 HD1 PHE 31 HD1 PHE 31 15.221 -11.387 0.641 189 HD2 PHE 31 HD2 PHE 31 16.823 -7.459 -0.097 190 HE1 PHE 31 HE1 PHE 31 17.312 -12.434 -0.087 191 HE2 PHE 31 HE2 PHE 31 18.958 -8.482 -0.780 192 HZ PHE 31 HZ PHE 31 19.176 -11.012 -0.836 193 H CYS 32 H CYS 32 14.118 -5.753 1.812 194 HA CYS 32 HA CYS 32 11.738 -5.392 3.386 195 HB2 CYS 32 HB2 CYS 32 13.509 -3.567 2.863 196 HB3 CYS 32 HB3 CYS 32 12.905 -3.602 1.220 197 H GLY 33 H GLY 33 9.661 -5.055 2.811 198 HA2 GLY 33 HA2 GLY 33 8.971 -5.867 -0.003 199 HA3 GLY 33 HA3 GLY 33 7.955 -6.252 1.394 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 7.835 -3.083 -3.512 2 H2 GLY 1 H2 GLY 1 7.771 -3.277 -1.819 3 H3 GLY 1 H3 GLY 1 6.447 -3.570 -2.784 4 HA2 GLY 1 HA2 GLY 1 6.189 -1.333 -3.371 5 HA3 GLY 1 HA3 GLY 1 6.301 -1.446 -1.583 6 H CYS 2 H CYS 2 7.032 0.697 -1.432 7 HA CYS 2 HA CYS 2 8.487 2.346 -1.203 8 HB2 CYS 2 HB2 CYS 2 10.797 0.452 -1.596 9 HB3 CYS 2 HB3 CYS 2 10.612 1.764 -0.445 10 HA PRO 3 HA PRO 3 9.922 3.833 -4.983 11 HB2 PRO 3 HB2 PRO 3 11.472 5.941 -4.555 12 HB3 PRO 3 HB3 PRO 3 9.772 5.877 -3.986 13 HG2 PRO 3 HG2 PRO 3 12.266 5.341 -2.373 14 HG3 PRO 3 HG3 PRO 3 10.884 6.458 -2.053 15 HD2 PRO 3 HD2 PRO 3 11.102 3.844 -1.050 16 HD3 PRO 3 HD3 PRO 3 9.555 4.684 -1.317 17 H ARG 4 H ARG 4 11.618 3.813 -6.612 18 HA ARG 4 HA ARG 4 14.215 2.800 -5.688 19 HB2 ARG 4 HB2 ARG 4 12.561 1.648 -7.967 20 HB3 ARG 4 HB3 ARG 4 14.166 1.090 -7.503 21 HG2 ARG 4 HG2 ARG 4 13.093 -0.524 -6.384 22 HG3 ARG 4 HG3 ARG 4 12.721 0.709 -5.170 23 HD2 ARG 4 HD2 ARG 4 10.639 -0.492 -5.863 24 HD3 ARG 4 HD3 ARG 4 10.565 1.217 -6.391 25 HE ARG 4 HE ARG 4 10.647 0.492 -8.631 26 HH11 ARG 4 HH11 ARG 4 10.830 -2.307 -6.471 27 HH12 ARG 4 HH12 ARG 4 10.359 -3.401 -7.752 28 HH21 ARG 4 HH21 ARG 4 10.035 -0.947 -10.152 29 HH22 ARG 4 HH22 ARG 4 9.876 -2.628 -9.832 30 HA PRO 5 HA PRO 5 15.183 5.900 -8.744 31 HB2 PRO 5 HB2 PRO 5 17.739 5.505 -9.243 32 HB3 PRO 5 HB3 PRO 5 17.208 6.064 -7.637 33 HG2 PRO 5 HG2 PRO 5 17.804 3.200 -8.467 34 HG3 PRO 5 HG3 PRO 5 18.429 4.119 -7.071 35 HD2 PRO 5 HD2 PRO 5 16.343 2.515 -6.817 36 HD3 PRO 5 HD3 PRO 5 16.487 4.085 -5.973 37 H ARG 6 H ARG 6 15.557 2.493 -9.346 38 HA ARG 6 HA ARG 6 15.201 2.986 -12.282 39 HB2 ARG 6 HB2 ARG 6 17.289 1.079 -11.190 40 HB3 ARG 6 HB3 ARG 6 16.908 1.313 -12.884 41 HG2 ARG 6 HG2 ARG 6 17.652 3.606 -12.760 42 HG3 ARG 6 HG3 ARG 6 18.028 3.357 -11.006 43 HD2 ARG 6 HD2 ARG 6 19.590 1.534 -11.704 44 HD3 ARG 6 HD3 ARG 6 19.248 1.990 -13.365 45 HE ARG 6 HE ARG 6 20.088 4.367 -12.032 46 HH11 ARG 6 HH11 ARG 6 21.356 1.298 -13.290 47 HH12 ARG 6 HH12 ARG 6 22.933 1.950 -13.625 48 HH21 ARG 6 HH21 ARG 6 22.224 5.093 -12.405 49 HH22 ARG 6 HH22 ARG 6 23.410 3.992 -13.090 50 H GLY 7 H GLY 7 15.363 0.487 -9.681 51 HA2 GLY 7 HA2 GLY 7 13.523 -0.866 -9.050 52 HA3 GLY 7 HA3 GLY 7 12.687 -0.428 -10.537 53 H ASP 8 H ASP 8 15.537 -1.133 -11.780 54 HA ASP 8 HA ASP 8 14.869 -3.905 -12.364 55 HB2 ASP 8 HB2 ASP 8 17.327 -2.263 -13.077 56 HB3 ASP 8 HB3 ASP 8 16.878 -3.815 -13.801 57 H ASN 9 H ASN 9 16.400 -2.318 -9.912 58 HA ASN 9 HA ASN 9 18.641 -4.126 -9.475 59 HB2 ASN 9 HB2 ASN 9 19.393 -2.454 -8.074 60 HB3 ASN 9 HB3 ASN 9 18.148 -1.475 -8.840 61 HD21 ASN 9 HD21 ASN 9 15.856 -2.231 -7.667 62 HD22 ASN 9 HD22 ASN 9 15.973 -1.984 -5.968 63 HA PRO 10 HA PRO 10 16.459 -7.090 -6.925 64 HB2 PRO 10 HB2 PRO 10 18.271 -7.659 -4.960 65 HB3 PRO 10 HB3 PRO 10 18.483 -8.182 -6.652 66 HG2 PRO 10 HG2 PRO 10 19.743 -5.867 -5.276 67 HG3 PRO 10 HG3 PRO 10 20.427 -7.091 -6.350 68 HD2 PRO 10 HD2 PRO 10 19.737 -4.660 -7.270 69 HD3 PRO 10 HD3 PRO 10 19.570 -6.123 -8.266 70 HA PRO 11 HA PRO 11 14.727 -4.843 -3.550 71 HB2 PRO 11 HB2 PRO 11 14.167 -6.658 -1.615 72 HB3 PRO 11 HB3 PRO 11 13.216 -6.582 -3.123 73 HG2 PRO 11 HG2 PRO 11 15.581 -8.404 -2.460 74 HG3 PRO 11 HG3 PRO 11 13.953 -8.883 -3.138 75 HD2 PRO 11 HD2 PRO 11 16.095 -8.547 -4.710 76 HD3 PRO 11 HD3 PRO 11 14.463 -8.055 -5.272 77 H LEU 12 H LEU 12 15.297 -3.809 -1.598 78 HA LEU 12 HA LEU 12 18.120 -4.059 -0.862 79 HB2 LEU 12 HB2 LEU 12 17.692 -2.187 0.602 80 HB3 LEU 12 HB3 LEU 12 17.021 -1.848 -0.993 81 HG LEU 12 HG LEU 12 14.933 -2.927 0.649 82 HD11 LEU 12 HD11 LEU 12 16.278 -0.484 1.825 83 HD12 LEU 12 HD12 LEU 12 16.249 -2.102 2.558 84 HD13 LEU 12 HD13 LEU 12 14.735 -1.224 2.335 85 HD21 LEU 12 HD21 LEU 12 14.720 -1.576 -1.422 86 HD22 LEU 12 HD22 LEU 12 15.438 -0.178 -0.585 87 HD23 LEU 12 HD23 LEU 12 13.876 -0.813 -0.030 88 H THR 13 H THR 13 18.943 -4.521 1.226 89 HA THR 13 HA THR 13 17.579 -6.714 2.497 90 HB THR 13 HB THR 13 19.408 -6.546 4.133 91 HG1 THR 13 HG1 THR 13 20.969 -4.997 3.937 92 HG21 THR 13 HG21 THR 13 20.367 -6.397 1.259 93 HG22 THR 13 HG22 THR 13 19.515 -7.762 1.945 94 HG23 THR 13 HG23 THR 13 21.083 -7.295 2.602 95 H CYS 14 H CYS 14 17.035 -6.949 4.717 96 HA CYS 14 HA CYS 14 17.036 -4.462 6.342 97 HB2 CYS 14 HB2 CYS 14 14.621 -4.598 6.847 98 HB3 CYS 14 HB3 CYS 14 14.844 -4.464 5.098 99 H SER 15 H SER 15 16.509 -4.920 8.625 100 HA SER 15 HA SER 15 16.682 -7.825 9.296 101 HB2 SER 15 HB2 SER 15 18.878 -7.405 9.811 102 HB3 SER 15 HB3 SER 15 18.616 -5.665 9.934 103 HG SER 15 HG SER 15 19.097 -6.923 11.895 104 H GLN 16 H GLN 16 15.637 -4.556 9.823 105 HA GLN 16 HA GLN 16 13.453 -5.652 11.562 106 HB2 GLN 16 HB2 GLN 16 13.499 -3.552 12.885 107 HB3 GLN 16 HB3 GLN 16 14.866 -4.611 13.146 108 HG2 GLN 16 HG2 GLN 16 16.290 -3.133 11.826 109 HG3 GLN 16 HG3 GLN 16 14.905 -2.078 11.409 110 HE21 GLN 16 HE21 GLN 16 17.552 -2.135 13.279 111 HE22 GLN 16 HE22 GLN 16 16.965 -1.311 14.743 112 H ASP 17 H ASP 17 11.587 -3.963 11.515 113 HA ASP 17 HA ASP 17 11.002 -3.320 8.796 114 HB2 ASP 17 HB2 ASP 17 8.924 -2.514 9.635 115 HB3 ASP 17 HB3 ASP 17 9.319 -3.945 10.585 116 H SER 18 H SER 18 12.493 -1.577 11.464 117 HA SER 18 HA SER 18 11.915 1.073 10.433 118 HB2 SER 18 HB2 SER 18 12.680 0.621 12.751 119 HB3 SER 18 HB3 SER 18 14.283 0.189 12.133 120 HG SER 18 HG SER 18 14.517 2.366 11.538 121 H ASP 19 H ASP 19 14.081 -1.384 9.225 122 HA ASP 19 HA ASP 19 16.081 0.347 8.030 123 HB2 ASP 19 HB2 ASP 19 15.117 -2.458 7.467 124 HB3 ASP 19 HB3 ASP 19 16.419 -1.639 6.509 125 H CYS 20 H CYS 20 12.793 -0.350 7.476 126 HA CYS 20 HA CYS 20 12.917 0.461 4.557 127 HB2 CYS 20 HB2 CYS 20 10.667 -0.784 6.202 128 HB3 CYS 20 HB3 CYS 20 10.631 -0.418 4.508 129 H LEU 21 H LEU 21 10.828 1.688 3.921 130 HA LEU 21 HA LEU 21 10.760 4.138 5.505 131 HB2 LEU 21 HB2 LEU 21 9.332 3.347 2.952 132 HB3 LEU 21 HB3 LEU 21 9.213 4.914 3.704 133 HG LEU 21 HG LEU 21 11.804 5.048 3.250 134 HD11 LEU 21 HD11 LEU 21 12.092 2.812 2.300 135 HD12 LEU 21 HD12 LEU 21 12.390 4.080 1.063 136 HD13 LEU 21 HD13 LEU 21 10.847 3.161 1.082 137 HD21 LEU 21 HD21 LEU 21 9.544 5.488 1.251 138 HD22 LEU 21 HD22 LEU 21 11.155 6.154 1.042 139 HD23 LEU 21 HD23 LEU 21 10.174 6.613 2.435 140 H ALA 22 H ALA 22 8.601 5.016 6.216 141 HA ALA 22 HA ALA 22 6.964 3.021 7.555 142 HB1 ALA 22 HB1 ALA 22 6.972 5.381 8.486 143 HB2 ALA 22 HB2 ALA 22 6.375 6.027 6.956 144 HB3 ALA 22 HB3 ALA 22 5.335 5.010 7.964 145 H GLY 23 H GLY 23 5.329 1.808 6.763 146 HA2 GLY 23 HA2 GLY 23 3.474 1.372 5.163 147 HA3 GLY 23 HA3 GLY 23 4.204 2.474 4.032 148 H CYS 24 H CYS 24 6.864 0.931 4.967 149 HA CYS 24 HA CYS 24 6.574 -1.286 2.997 150 HB2 CYS 24 HB2 CYS 24 8.886 0.491 3.756 151 HB3 CYS 24 HB3 CYS 24 9.111 -1.020 2.889 152 H VAL 25 H VAL 25 7.704 -3.265 3.746 153 HA VAL 25 HA VAL 25 8.114 -3.250 6.790 154 HB VAL 25 HB VAL 25 6.978 -5.513 6.844 155 HG11 VAL 25 HG11 VAL 25 4.724 -4.680 6.973 156 HG12 VAL 25 HG12 VAL 25 5.806 -3.417 7.565 157 HG13 VAL 25 HG13 VAL 25 5.123 -3.296 5.976 158 HG21 VAL 25 HG21 VAL 25 7.113 -5.966 4.320 159 HG22 VAL 25 HG22 VAL 25 5.464 -6.107 4.906 160 HG23 VAL 25 HG23 VAL 25 5.950 -4.634 4.064 161 H CYS 26 H CYS 26 9.176 -5.238 7.533 162 HA CYS 26 HA CYS 26 11.226 -6.060 5.565 163 HB2 CYS 26 HB2 CYS 26 12.058 -4.961 7.643 164 HB3 CYS 26 HB3 CYS 26 11.287 -6.254 8.589 165 H GLY 27 H GLY 27 10.953 -8.064 4.615 166 HA2 GLY 27 HA2 GLY 27 8.997 -9.845 5.885 167 HA3 GLY 27 HA3 GLY 27 9.648 -9.912 4.270 168 HA PRO 28 HA PRO 28 11.298 -13.356 7.187 169 HB2 PRO 28 HB2 PRO 28 10.221 -14.992 4.958 170 HB3 PRO 28 HB3 PRO 28 10.116 -15.277 6.706 171 HG2 PRO 28 HG2 PRO 28 7.972 -14.498 5.379 172 HG3 PRO 28 HG3 PRO 28 8.405 -13.721 6.957 173 HD2 PRO 28 HD2 PRO 28 8.921 -12.743 4.161 174 HD3 PRO 28 HD3 PRO 28 8.168 -11.892 5.583 175 H ASN 29 H ASN 29 11.695 -12.593 3.732 176 HA ASN 29 HA ASN 29 13.900 -14.495 3.402 177 HB2 ASN 29 HB2 ASN 29 13.082 -12.118 1.595 178 HB3 ASN 29 HB3 ASN 29 14.188 -13.423 1.222 179 HD21 ASN 29 HD21 ASN 29 12.038 -12.804 -0.399 180 HD22 ASN 29 HD22 ASN 29 10.905 -14.118 -0.315 181 H GLY 30 H GLY 30 13.550 -11.522 5.067 182 HA2 GLY 30 HA2 GLY 30 15.254 -10.258 6.056 183 HA3 GLY 30 HA3 GLY 30 16.494 -11.188 5.149 184 H PHE 31 H PHE 31 13.872 -9.906 3.402 185 HA PHE 31 HA PHE 31 15.409 -7.471 2.446 186 HB2 PHE 31 HB2 PHE 31 13.805 -9.465 0.728 187 HB3 PHE 31 HB3 PHE 31 14.421 -7.884 0.218 188 HD1 PHE 31 HD1 PHE 31 15.255 -11.391 0.790 189 HD2 PHE 31 HD2 PHE 31 16.951 -7.496 0.028 190 HE1 PHE 31 HE1 PHE 31 17.358 -12.478 0.158 191 HE2 PHE 31 HE2 PHE 31 19.088 -8.548 -0.568 192 HZ PHE 31 HZ PHE 31 19.267 -11.098 -0.562 193 H CYS 32 H CYS 32 14.245 -5.761 1.927 194 HA CYS 32 HA CYS 32 11.794 -5.367 3.389 195 HB2 CYS 32 HB2 CYS 32 13.736 -3.620 2.922 196 HB3 CYS 32 HB3 CYS 32 12.992 -3.537 1.316 197 H GLY 33 H GLY 33 9.755 -4.777 2.560 198 HA2 GLY 33 HA2 GLY 33 9.296 -5.146 -0.358 199 HA3 GLY 33 HA3 GLY 33 8.473 -6.265 0.686 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 6.006 4.492 -2.769 2 H2 GLY 1 H2 GLY 1 5.036 4.529 -1.478 3 H3 GLY 1 H3 GLY 1 6.665 4.698 -1.265 4 HA2 GLY 1 HA2 GLY 1 5.733 2.532 -0.667 5 HA3 GLY 1 HA3 GLY 1 5.506 2.269 -2.403 6 H CYS 2 H CYS 2 7.163 0.454 -1.641 7 HA CYS 2 HA CYS 2 9.826 1.312 -1.086 8 HB2 CYS 2 HB2 CYS 2 9.024 -1.420 -2.072 9 HB3 CYS 2 HB3 CYS 2 10.305 -1.028 -0.912 10 HA PRO 3 HA PRO 3 11.037 1.694 -5.275 11 HB2 PRO 3 HB2 PRO 3 13.720 1.840 -5.212 12 HB3 PRO 3 HB3 PRO 3 12.663 3.110 -4.503 13 HG2 PRO 3 HG2 PRO 3 14.053 0.833 -3.078 14 HG3 PRO 3 HG3 PRO 3 14.083 2.595 -2.747 15 HD2 PRO 3 HD2 PRO 3 12.344 0.815 -1.492 16 HD3 PRO 3 HD3 PRO 3 11.937 2.527 -1.808 17 H ARG 4 H ARG 4 11.811 0.440 -7.069 18 HA ARG 4 HA ARG 4 12.124 -2.432 -6.342 19 HB2 ARG 4 HB2 ARG 4 11.520 -1.096 -9.042 20 HB3 ARG 4 HB3 ARG 4 11.636 -2.818 -8.773 21 HG2 ARG 4 HG2 ARG 4 9.773 -2.649 -7.140 22 HG3 ARG 4 HG3 ARG 4 9.598 -0.931 -7.651 23 HD2 ARG 4 HD2 ARG 4 9.115 -1.677 -9.992 24 HD3 ARG 4 HD3 ARG 4 9.405 -3.338 -9.519 25 HE ARG 4 HE ARG 4 7.367 -3.437 -8.438 26 HH11 ARG 4 HH11 ARG 4 7.931 -0.201 -9.586 27 HH12 ARG 4 HH12 ARG 4 6.309 0.360 -9.324 28 HH21 ARG 4 HH21 ARG 4 5.264 -2.730 -8.070 29 HH22 ARG 4 HH22 ARG 4 4.820 -1.079 -8.465 30 HA PRO 5 HA PRO 5 16.408 -2.052 -7.214 31 HB2 PRO 5 HB2 PRO 5 17.113 -4.535 -8.036 32 HB3 PRO 5 HB3 PRO 5 16.475 -4.254 -6.400 33 HG2 PRO 5 HG2 PRO 5 14.993 -5.233 -8.831 34 HG3 PRO 5 HG3 PRO 5 15.051 -5.933 -7.178 35 HD2 PRO 5 HD2 PRO 5 13.073 -4.363 -7.944 36 HD3 PRO 5 HD3 PRO 5 13.759 -4.328 -6.282 37 H ARG 6 H ARG 6 18.082 -2.109 -8.966 38 HA ARG 6 HA ARG 6 17.171 -0.883 -11.252 39 HB2 ARG 6 HB2 ARG 6 19.366 -0.537 -10.434 40 HB3 ARG 6 HB3 ARG 6 19.769 -2.068 -10.836 41 HG2 ARG 6 HG2 ARG 6 19.467 -1.495 -13.139 42 HG3 ARG 6 HG3 ARG 6 19.197 0.051 -12.686 43 HD2 ARG 6 HD2 ARG 6 21.370 0.324 -11.986 44 HD3 ARG 6 HD3 ARG 6 21.655 -1.284 -12.023 45 HE ARG 6 HE ARG 6 21.051 -0.485 -14.589 46 HH11 ARG 6 HH11 ARG 6 22.687 -0.180 -16.121 47 HH12 ARG 6 HH12 ARG 6 24.323 0.062 -15.606 48 HH21 ARG 6 HH21 ARG 6 23.581 -0.158 -12.193 49 HH22 ARG 6 HH22 ARG 6 24.832 0.075 -13.368 50 H GLY 7 H GLY 7 18.076 -4.176 -10.675 51 HA2 GLY 7 HA2 GLY 7 16.182 -5.364 -12.113 52 HA3 GLY 7 HA3 GLY 7 17.329 -5.021 -13.382 53 H ASP 8 H ASP 8 19.799 -5.581 -12.189 54 HA ASP 8 HA ASP 8 19.666 -8.513 -12.150 55 HB2 ASP 8 HB2 ASP 8 21.354 -7.264 -13.562 56 HB3 ASP 8 HB3 ASP 8 21.977 -6.512 -12.071 57 H ASN 9 H ASN 9 20.179 -5.787 -10.065 58 HA ASN 9 HA ASN 9 21.403 -7.454 -7.971 59 HB2 ASN 9 HB2 ASN 9 21.522 -5.308 -6.776 60 HB3 ASN 9 HB3 ASN 9 21.944 -5.033 -8.459 61 HD21 ASN 9 HD21 ASN 9 20.100 -4.047 -5.830 62 HD22 ASN 9 HD22 ASN 9 18.962 -3.022 -6.687 63 HA PRO 10 HA PRO 10 17.515 -8.593 -6.060 64 HB2 PRO 10 HB2 PRO 10 18.219 -8.925 -3.442 65 HB3 PRO 10 HB3 PRO 10 18.748 -10.027 -4.728 66 HG2 PRO 10 HG2 PRO 10 20.262 -7.760 -3.487 67 HG3 PRO 10 HG3 PRO 10 20.774 -9.417 -3.864 68 HD2 PRO 10 HD2 PRO 10 21.362 -7.371 -5.527 69 HD3 PRO 10 HD3 PRO 10 21.027 -9.006 -6.124 70 HA PRO 11 HA PRO 11 15.638 -4.984 -4.197 71 HB2 PRO 11 HB2 PRO 11 14.013 -6.049 -2.275 72 HB3 PRO 11 HB3 PRO 11 13.586 -6.156 -4.004 73 HG2 PRO 11 HG2 PRO 11 14.938 -8.203 -2.233 74 HG3 PRO 11 HG3 PRO 11 13.513 -8.416 -3.386 75 HD2 PRO 11 HD2 PRO 11 15.987 -9.092 -4.109 76 HD3 PRO 11 HD3 PRO 11 14.859 -8.316 -5.290 77 H LEU 12 H LEU 12 15.562 -3.777 -2.099 78 HA LEU 12 HA LEU 12 18.113 -3.961 -0.802 79 HB2 LEU 12 HB2 LEU 12 17.447 -2.118 0.542 80 HB3 LEU 12 HB3 LEU 12 16.870 -1.841 -1.092 81 HG LEU 12 HG LEU 12 14.691 -2.975 0.271 82 HD11 LEU 12 HD11 LEU 12 15.942 -0.736 1.884 83 HD12 LEU 12 HD12 LEU 12 15.849 -2.428 2.380 84 HD13 LEU 12 HD13 LEU 12 14.364 -1.494 2.145 85 HD21 LEU 12 HD21 LEU 12 14.658 -1.340 -1.580 86 HD22 LEU 12 HD22 LEU 12 15.336 -0.111 -0.485 87 HD23 LEU 12 HD23 LEU 12 13.733 -0.720 -0.163 88 H THR 13 H THR 13 18.721 -4.428 1.283 89 HA THR 13 HA THR 13 17.117 -6.607 2.465 90 HB THR 13 HB THR 13 19.150 -6.737 3.906 91 HG1 THR 13 HG1 THR 13 20.896 -5.467 3.448 92 HG21 THR 13 HG21 THR 13 19.644 -6.820 0.934 93 HG22 THR 13 HG22 THR 13 18.726 -8.002 1.851 94 HG23 THR 13 HG23 THR 13 20.424 -7.793 2.174 95 H CYS 14 H CYS 14 16.969 -6.866 4.861 96 HA CYS 14 HA CYS 14 17.119 -4.346 6.358 97 HB2 CYS 14 HB2 CYS 14 14.656 -4.492 6.997 98 HB3 CYS 14 HB3 CYS 14 14.879 -4.201 5.272 99 H SER 15 H SER 15 16.872 -4.825 8.746 100 HA SER 15 HA SER 15 16.935 -7.790 9.307 101 HB2 SER 15 HB2 SER 15 19.034 -7.413 9.998 102 HB3 SER 15 HB3 SER 15 18.820 -5.649 9.972 103 HG SER 15 HG SER 15 19.189 -6.562 12.078 104 H GLN 16 H GLN 16 15.514 -4.725 9.804 105 HA GLN 16 HA GLN 16 13.601 -5.958 11.692 106 HB2 GLN 16 HB2 GLN 16 13.525 -3.859 13.035 107 HB3 GLN 16 HB3 GLN 16 15.015 -4.790 13.201 108 HG2 GLN 16 HG2 GLN 16 16.143 -3.234 11.636 109 HG3 GLN 16 HG3 GLN 16 14.683 -2.222 11.504 110 HE21 GLN 16 HE21 GLN 16 16.713 -0.773 12.312 111 HE22 GLN 16 HE22 GLN 16 16.694 -0.546 14.079 112 H ASP 17 H ASP 17 11.542 -4.603 11.650 113 HA ASP 17 HA ASP 17 10.731 -3.796 9.065 114 HB2 ASP 17 HB2 ASP 17 9.125 -4.451 10.596 115 HB3 ASP 17 HB3 ASP 17 9.770 -3.403 11.865 116 H SER 18 H SER 18 12.034 -1.969 11.797 117 HA SER 18 HA SER 18 11.576 0.668 10.782 118 HB2 SER 18 HB2 SER 18 14.048 0.518 12.237 119 HB3 SER 18 HB3 SER 18 12.454 1.106 12.754 120 HG SER 18 HG SER 18 13.413 -0.833 13.911 121 H ASP 19 H ASP 19 13.857 -1.677 9.530 122 HA ASP 19 HA ASP 19 15.853 0.307 8.644 123 HB2 ASP 19 HB2 ASP 19 15.334 -2.614 8.035 124 HB3 ASP 19 HB3 ASP 19 16.635 -1.673 7.204 125 H CYS 20 H CYS 20 12.768 -0.523 7.668 126 HA CYS 20 HA CYS 20 13.328 -0.033 4.760 127 HB2 CYS 20 HB2 CYS 20 10.853 -0.929 6.264 128 HB3 CYS 20 HB3 CYS 20 10.843 -0.478 4.587 129 H LEU 21 H LEU 21 11.493 1.198 3.602 130 HA LEU 21 HA LEU 21 11.696 3.940 4.548 131 HB2 LEU 21 HB2 LEU 21 10.456 2.707 2.077 132 HB3 LEU 21 HB3 LEU 21 10.473 4.422 2.420 133 HG LEU 21 HG LEU 21 13.047 4.243 2.323 134 HD11 LEU 21 HD11 LEU 21 13.338 1.849 2.200 135 HD12 LEU 21 HD12 LEU 21 13.904 2.641 0.691 136 HD13 LEU 21 HD13 LEU 21 12.345 1.749 0.742 137 HD21 LEU 21 HD21 LEU 21 11.705 5.545 0.762 138 HD22 LEU 21 HD22 LEU 21 11.160 4.062 -0.068 139 HD23 LEU 21 HD23 LEU 21 12.839 4.579 -0.225 140 H ALA 22 H ALA 22 9.720 5.298 4.643 141 HA ALA 22 HA ALA 22 7.795 4.215 6.452 142 HB1 ALA 22 HB1 ALA 22 8.199 6.686 6.369 143 HB2 ALA 22 HB2 ALA 22 7.541 6.797 4.738 144 HB3 ALA 22 HB3 ALA 22 6.482 6.373 6.114 145 H GLY 23 H GLY 23 6.147 2.887 6.189 146 HA2 GLY 23 HA2 GLY 23 4.078 2.228 5.040 147 HA3 GLY 23 HA3 GLY 23 4.763 2.793 3.518 148 H CYS 24 H CYS 24 7.352 1.236 4.610 149 HA CYS 24 HA CYS 24 6.581 -1.214 3.075 150 HB2 CYS 24 HB2 CYS 24 9.225 0.180 3.632 151 HB3 CYS 24 HB3 CYS 24 9.104 -1.355 2.756 152 H VAL 25 H VAL 25 7.572 -3.220 3.915 153 HA VAL 25 HA VAL 25 8.103 -3.045 6.908 154 HB VAL 25 HB VAL 25 6.915 -5.265 7.101 155 HG11 VAL 25 HG11 VAL 25 5.236 -2.921 6.173 156 HG12 VAL 25 HG12 VAL 25 4.573 -4.374 6.969 157 HG13 VAL 25 HG13 VAL 25 5.717 -3.346 7.853 158 HG21 VAL 25 HG21 VAL 25 5.792 -4.596 4.291 159 HG22 VAL 25 HG22 VAL 25 7.077 -5.830 4.617 160 HG23 VAL 25 HG23 VAL 25 5.445 -6.053 5.285 161 H CYS 26 H CYS 26 9.197 -5.067 7.662 162 HA CYS 26 HA CYS 26 11.183 -5.897 5.617 163 HB2 CYS 26 HB2 CYS 26 11.991 -5.020 7.825 164 HB3 CYS 26 HB3 CYS 26 11.243 -6.439 8.590 165 H GLY 27 H GLY 27 11.284 -7.950 4.760 166 HA2 GLY 27 HA2 GLY 27 9.098 -9.742 5.624 167 HA3 GLY 27 HA3 GLY 27 10.030 -9.766 4.136 168 HA PRO 28 HA PRO 28 11.458 -12.930 7.372 169 HB2 PRO 28 HB2 PRO 28 10.519 -15.261 6.432 170 HB3 PRO 28 HB3 PRO 28 9.502 -14.072 7.322 171 HG2 PRO 28 HG2 PRO 28 9.865 -14.385 4.319 172 HG3 PRO 28 HG3 PRO 28 8.357 -14.493 5.302 173 HD2 PRO 28 HD2 PRO 28 9.104 -12.173 4.069 174 HD3 PRO 28 HD3 PRO 28 8.307 -12.190 5.730 175 H ASN 29 H ASN 29 11.836 -12.641 3.875 176 HA ASN 29 HA ASN 29 14.071 -14.547 3.789 177 HB2 ASN 29 HB2 ASN 29 13.028 -12.551 1.702 178 HB3 ASN 29 HB3 ASN 29 14.212 -13.807 1.434 179 HD21 ASN 29 HD21 ASN 29 13.501 -16.044 1.375 180 HD22 ASN 29 HD22 ASN 29 11.776 -16.370 1.149 181 H GLY 30 H GLY 30 13.724 -11.505 5.107 182 HA2 GLY 30 HA2 GLY 30 15.454 -10.155 5.898 183 HA3 GLY 30 HA3 GLY 30 16.665 -11.034 4.941 184 H PHE 31 H PHE 31 13.926 -10.043 3.219 185 HA PHE 31 HA PHE 31 15.361 -7.588 2.084 186 HB2 PHE 31 HB2 PHE 31 13.443 -9.582 0.698 187 HB3 PHE 31 HB3 PHE 31 14.063 -8.042 0.014 188 HD1 PHE 31 HD1 PHE 31 14.516 -11.538 0.183 189 HD2 PHE 31 HD2 PHE 31 16.785 -7.885 -0.018 190 HE1 PHE 31 HE1 PHE 31 16.409 -12.838 -0.657 191 HE2 PHE 31 HE2 PHE 31 18.734 -9.160 -0.822 192 HZ PHE 31 HZ PHE 31 18.511 -11.688 -1.186 193 H CYS 32 H CYS 32 14.098 -5.798 1.649 194 HA CYS 32 HA CYS 32 11.786 -5.430 3.388 195 HB2 CYS 32 HB2 CYS 32 13.617 -3.641 2.638 196 HB3 CYS 32 HB3 CYS 32 12.677 -3.674 1.105 197 H GLY 33 H GLY 33 9.680 -4.918 2.654 198 HA2 GLY 33 HA2 GLY 33 9.025 -5.667 -0.155 199 HA3 GLY 33 HA3 GLY 33 8.323 -6.687 1.120 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 3.403 -1.001 -0.159 2 H2 GLY 1 H2 GLY 1 3.921 -0.119 1.134 3 H3 GLY 1 H3 GLY 1 3.216 0.639 -0.155 4 HA2 GLY 1 HA2 GLY 1 5.799 -0.759 -0.149 5 HA3 GLY 1 HA3 GLY 1 5.028 -0.055 -1.592 6 H CYS 2 H CYS 2 7.557 0.717 -0.834 7 HA CYS 2 HA CYS 2 7.588 3.005 0.898 8 HB2 CYS 2 HB2 CYS 2 9.494 1.928 -1.211 9 HB3 CYS 2 HB3 CYS 2 9.832 3.371 -0.264 10 HA PRO 3 HA PRO 3 6.242 6.056 -1.956 11 HB2 PRO 3 HB2 PRO 3 7.417 8.341 -1.104 12 HB3 PRO 3 HB3 PRO 3 6.231 7.463 -0.085 13 HG2 PRO 3 HG2 PRO 3 9.228 7.397 0.003 14 HG3 PRO 3 HG3 PRO 3 8.055 7.627 1.338 15 HD2 PRO 3 HD2 PRO 3 9.204 5.218 0.743 16 HD3 PRO 3 HD3 PRO 3 7.577 5.357 1.456 17 H ARG 4 H ARG 4 6.877 7.549 -3.667 18 HA ARG 4 HA ARG 4 8.037 8.149 -5.545 19 HB2 ARG 4 HB2 ARG 4 10.478 7.982 -3.764 20 HB3 ARG 4 HB3 ARG 4 10.374 8.799 -5.325 21 HG2 ARG 4 HG2 ARG 4 8.581 10.278 -4.353 22 HG3 ARG 4 HG3 ARG 4 8.910 9.537 -2.773 23 HD2 ARG 4 HD2 ARG 4 11.288 10.268 -2.982 24 HD3 ARG 4 HD3 ARG 4 10.883 11.067 -4.510 25 HE ARG 4 HE ARG 4 9.119 11.968 -2.440 26 HH11 ARG 4 HH11 ARG 4 12.474 12.366 -3.474 27 HH12 ARG 4 HH12 ARG 4 12.605 13.938 -2.741 28 HH21 ARG 4 HH21 ARG 4 9.363 13.990 -1.525 29 HH22 ARG 4 HH22 ARG 4 10.874 14.835 -1.658 30 HA PRO 5 HA PRO 5 9.004 3.744 -6.670 31 HB2 PRO 5 HB2 PRO 5 7.769 4.909 -9.173 32 HB3 PRO 5 HB3 PRO 5 7.516 3.296 -8.435 33 HG2 PRO 5 HG2 PRO 5 5.666 5.141 -8.173 34 HG3 PRO 5 HG3 PRO 5 6.147 4.153 -6.754 35 HD2 PRO 5 HD2 PRO 5 6.955 6.971 -7.476 36 HD3 PRO 5 HD3 PRO 5 6.423 6.298 -5.900 37 H ARG 6 H ARG 6 10.629 2.944 -7.967 38 HA ARG 6 HA ARG 6 12.339 4.999 -9.335 39 HB2 ARG 6 HB2 ARG 6 13.219 2.514 -7.834 40 HB3 ARG 6 HB3 ARG 6 14.263 3.777 -8.506 41 HG2 ARG 6 HG2 ARG 6 13.208 5.390 -6.923 42 HG3 ARG 6 HG3 ARG 6 12.282 4.063 -6.216 43 HD2 ARG 6 HD2 ARG 6 14.174 4.405 -4.823 44 HD3 ARG 6 HD3 ARG 6 14.416 2.887 -5.707 45 HE ARG 6 HE ARG 6 15.628 5.063 -7.130 46 HH11 ARG 6 HH11 ARG 6 16.140 3.034 -4.295 47 HH12 ARG 6 HH12 ARG 6 17.865 3.273 -4.310 48 HH21 ARG 6 HH21 ARG 6 17.842 5.312 -7.118 49 HH22 ARG 6 HH22 ARG 6 18.820 4.550 -5.895 50 H GLY 7 H GLY 7 10.367 2.559 -10.021 51 HA2 GLY 7 HA2 GLY 7 10.292 1.528 -12.214 52 HA3 GLY 7 HA3 GLY 7 12.066 1.520 -12.244 53 H ASP 8 H ASP 8 11.782 -0.808 -12.742 54 HA ASP 8 HA ASP 8 10.558 -2.611 -10.881 55 HB2 ASP 8 HB2 ASP 8 12.527 -3.115 -13.129 56 HB3 ASP 8 HB3 ASP 8 11.486 -4.332 -12.364 57 H ASN 9 H ASN 9 12.849 -0.896 -9.881 58 HA ASN 9 HA ASN 9 15.161 -2.356 -9.488 59 HB2 ASN 9 HB2 ASN 9 15.764 -0.737 -7.849 60 HB3 ASN 9 HB3 ASN 9 14.760 0.101 -9.043 61 HD21 ASN 9 HD21 ASN 9 12.189 -0.865 -8.039 62 HD22 ASN 9 HD22 ASN 9 11.939 -0.046 -6.520 63 HA PRO 10 HA PRO 10 14.141 -5.489 -6.586 64 HB2 PRO 10 HB2 PRO 10 16.572 -6.134 -5.543 65 HB3 PRO 10 HB3 PRO 10 16.176 -6.433 -7.271 66 HG2 PRO 10 HG2 PRO 10 17.633 -4.100 -6.047 67 HG3 PRO 10 HG3 PRO 10 18.143 -5.158 -7.399 68 HD2 PRO 10 HD2 PRO 10 16.947 -2.771 -7.831 69 HD3 PRO 10 HD3 PRO 10 16.616 -4.192 -8.891 70 HA PRO 11 HA PRO 11 13.755 -3.554 -2.653 71 HB2 PRO 11 HB2 PRO 11 13.482 -5.613 -0.883 72 HB3 PRO 11 HB3 PRO 11 12.229 -5.247 -2.116 73 HG2 PRO 11 HG2 PRO 11 14.457 -7.275 -2.228 74 HG3 PRO 11 HG3 PRO 11 12.700 -7.502 -2.534 75 HD2 PRO 11 HD2 PRO 11 14.463 -7.132 -4.549 76 HD3 PRO 11 HD3 PRO 11 12.807 -6.444 -4.616 77 H LEU 12 H LEU 12 14.871 -3.001 -0.739 78 HA LEU 12 HA LEU 12 17.722 -3.654 -0.689 79 HB2 LEU 12 HB2 LEU 12 17.871 -2.110 1.135 80 HB3 LEU 12 HB3 LEU 12 16.947 -1.366 -0.148 81 HG LEU 12 HG LEU 12 15.455 -2.668 2.130 82 HD11 LEU 12 HD11 LEU 12 17.222 -1.396 3.239 83 HD12 LEU 12 HD12 LEU 12 15.658 -0.589 3.444 84 HD13 LEU 12 HD13 LEU 12 16.826 0.045 2.262 85 HD21 LEU 12 HD21 LEU 12 14.980 -0.153 0.460 86 HD22 LEU 12 HD22 LEU 12 13.916 -0.746 1.756 87 HD23 LEU 12 HD23 LEU 12 14.139 -1.708 0.286 88 H THR 13 H THR 13 18.772 -4.506 1.267 89 HA THR 13 HA THR 13 17.330 -6.769 2.437 90 HB THR 13 HB THR 13 19.492 -7.015 3.765 91 HG1 THR 13 HG1 THR 13 19.974 -4.709 3.597 92 HG21 THR 13 HG21 THR 13 19.226 -8.169 1.605 93 HG22 THR 13 HG22 THR 13 20.898 -7.641 1.887 94 HG23 THR 13 HG23 THR 13 19.865 -6.734 0.758 95 H CYS 14 H CYS 14 16.942 -6.994 4.736 96 HA CYS 14 HA CYS 14 17.214 -4.628 6.451 97 HB2 CYS 14 HB2 CYS 14 14.786 -4.559 6.938 98 HB3 CYS 14 HB3 CYS 14 15.112 -4.169 5.242 99 H SER 15 H SER 15 16.490 -5.183 8.646 100 HA SER 15 HA SER 15 16.211 -8.122 9.154 101 HB2 SER 15 HB2 SER 15 18.306 -8.015 9.965 102 HB3 SER 15 HB3 SER 15 18.302 -6.247 10.039 103 HG SER 15 HG SER 15 16.698 -7.628 11.874 104 H GLN 16 H GLN 16 15.268 -4.847 9.678 105 HA GLN 16 HA GLN 16 12.984 -5.770 11.338 106 HB2 GLN 16 HB2 GLN 16 13.198 -3.694 12.725 107 HB3 GLN 16 HB3 GLN 16 14.513 -4.845 13.010 108 HG2 GLN 16 HG2 GLN 16 16.006 -3.563 11.582 109 HG3 GLN 16 HG3 GLN 16 14.713 -2.440 11.167 110 HE21 GLN 16 HE21 GLN 16 16.889 -1.325 11.981 111 HE22 GLN 16 HE22 GLN 16 16.738 -0.749 13.638 112 H ASP 17 H ASP 17 11.205 -4.073 11.112 113 HA ASP 17 HA ASP 17 11.021 -3.299 8.316 114 HB2 ASP 17 HB2 ASP 17 8.857 -2.358 8.946 115 HB3 ASP 17 HB3 ASP 17 9.039 -3.984 9.621 116 H SER 18 H SER 18 12.006 -1.764 11.274 117 HA SER 18 HA SER 18 11.814 0.960 10.574 118 HB2 SER 18 HB2 SER 18 14.172 0.301 12.133 119 HB3 SER 18 HB3 SER 18 12.690 1.145 12.640 120 HG SER 18 HG SER 18 13.235 -1.041 13.609 121 H ASP 19 H ASP 19 13.877 -1.422 9.186 122 HA ASP 19 HA ASP 19 16.085 0.395 8.536 123 HB2 ASP 19 HB2 ASP 19 15.312 -2.343 7.451 124 HB3 ASP 19 HB3 ASP 19 16.800 -1.491 7.051 125 H CYS 20 H CYS 20 12.931 -0.198 7.370 126 HA CYS 20 HA CYS 20 13.620 0.784 4.626 127 HB2 CYS 20 HB2 CYS 20 11.150 -0.649 5.679 128 HB3 CYS 20 HB3 CYS 20 11.395 -0.081 4.024 129 H LEU 21 H LEU 21 11.777 2.136 3.662 130 HA LEU 21 HA LEU 21 11.305 4.403 5.450 131 HB2 LEU 21 HB2 LEU 21 10.261 3.876 2.639 132 HB3 LEU 21 HB3 LEU 21 10.147 5.404 3.502 133 HG LEU 21 HG LEU 21 12.680 4.089 2.497 134 HD11 LEU 21 HD11 LEU 21 12.809 6.074 1.033 135 HD12 LEU 21 HD12 LEU 21 11.225 6.605 1.631 136 HD13 LEU 21 HD13 LEU 21 11.373 5.083 0.716 137 HD21 LEU 21 HD21 LEU 21 13.813 6.213 3.204 138 HD22 LEU 21 HD22 LEU 21 13.200 5.268 4.569 139 HD23 LEU 21 HD23 LEU 21 12.305 6.703 4.025 140 H ALA 22 H ALA 22 9.193 5.170 6.047 141 HA ALA 22 HA ALA 22 7.390 3.177 6.919 142 HB1 ALA 22 HB1 ALA 22 5.833 5.067 7.319 143 HB2 ALA 22 HB2 ALA 22 7.478 5.481 7.863 144 HB3 ALA 22 HB3 ALA 22 6.854 6.134 6.321 145 H GLY 23 H GLY 23 5.715 2.156 5.961 146 HA2 GLY 23 HA2 GLY 23 3.963 2.083 4.257 147 HA3 GLY 23 HA3 GLY 23 5.058 2.937 3.145 148 H CYS 24 H CYS 24 7.260 1.170 4.514 149 HA CYS 24 HA CYS 24 6.762 -1.311 2.904 150 HB2 CYS 24 HB2 CYS 24 9.226 0.301 3.552 151 HB3 CYS 24 HB3 CYS 24 9.351 -1.418 3.265 152 H VAL 25 H VAL 25 7.824 -3.236 3.881 153 HA VAL 25 HA VAL 25 8.155 -3.101 6.857 154 HB VAL 25 HB VAL 25 6.942 -5.288 7.048 155 HG11 VAL 25 HG11 VAL 25 5.770 -3.133 7.504 156 HG12 VAL 25 HG12 VAL 25 5.167 -3.121 5.830 157 HG13 VAL 25 HG13 VAL 25 4.665 -4.414 6.954 158 HG21 VAL 25 HG21 VAL 25 6.068 -4.790 4.165 159 HG22 VAL 25 HG22 VAL 25 7.193 -6.065 4.696 160 HG23 VAL 25 HG23 VAL 25 5.496 -6.091 5.223 161 H CYS 26 H CYS 26 9.273 -5.224 7.581 162 HA CYS 26 HA CYS 26 11.222 -6.025 5.474 163 HB2 CYS 26 HB2 CYS 26 12.082 -5.094 7.632 164 HB3 CYS 26 HB3 CYS 26 11.372 -6.477 8.474 165 H GLY 27 H GLY 27 11.174 -8.070 4.644 166 HA2 GLY 27 HA2 GLY 27 9.029 -9.796 5.700 167 HA3 GLY 27 HA3 GLY 27 9.789 -9.925 4.112 168 HA PRO 28 HA PRO 28 11.431 -13.051 7.375 169 HB2 PRO 28 HB2 PRO 28 10.359 -14.956 5.305 170 HB3 PRO 28 HB3 PRO 28 10.290 -15.063 7.096 171 HG2 PRO 28 HG2 PRO 28 8.129 -14.401 5.746 172 HG3 PRO 28 HG3 PRO 28 8.562 -13.517 7.231 173 HD2 PRO 28 HD2 PRO 28 8.985 -12.700 4.368 174 HD3 PRO 28 HD3 PRO 28 8.318 -11.746 5.744 175 H ASN 29 H ASN 29 11.870 -12.473 3.986 176 HA ASN 29 HA ASN 29 14.066 -14.410 3.699 177 HB2 ASN 29 HB2 ASN 29 13.062 -12.205 1.852 178 HB3 ASN 29 HB3 ASN 29 14.295 -13.399 1.422 179 HD21 ASN 29 HD21 ASN 29 11.714 -12.860 0.194 180 HD22 ASN 29 HD22 ASN 29 10.826 -14.363 0.266 181 H GLY 30 H GLY 30 13.870 -11.465 5.257 182 HA2 GLY 30 HA2 GLY 30 15.633 -10.127 6.027 183 HA3 GLY 30 HA3 GLY 30 16.768 -11.061 5.039 184 H PHE 31 H PHE 31 13.917 -9.918 3.495 185 HA PHE 31 HA PHE 31 15.362 -7.587 2.308 186 HB2 PHE 31 HB2 PHE 31 13.821 -9.790 0.895 187 HB3 PHE 31 HB3 PHE 31 14.031 -8.185 0.199 188 HD1 PHE 31 HD1 PHE 31 15.728 -11.341 1.062 189 HD2 PHE 31 HD2 PHE 31 16.223 -7.374 -0.530 190 HE1 PHE 31 HE1 PHE 31 17.970 -11.983 0.170 191 HE2 PHE 31 HE2 PHE 31 18.443 -8.005 -1.453 192 HZ PHE 31 HZ PHE 31 19.332 -10.320 -1.098 193 H CYS 32 H CYS 32 14.087 -5.893 1.717 194 HA CYS 32 HA CYS 32 11.792 -5.490 3.400 195 HB2 CYS 32 HB2 CYS 32 13.616 -3.854 2.502 196 HB3 CYS 32 HB3 CYS 32 12.631 -3.786 1.038 197 H GLY 33 H GLY 33 9.636 -4.714 2.574 198 HA2 GLY 33 HA2 GLY 33 8.887 -5.444 -0.164 199 HA3 GLY 33 HA3 GLY 33 8.158 -6.454 1.111 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 3.370 2.264 -0.285 2 H2 GLY 1 H2 GLY 1 4.560 3.404 -0.059 3 H3 GLY 1 H3 GLY 1 4.008 3.070 -1.556 4 HA2 GLY 1 HA2 GLY 1 5.436 1.163 0.192 5 HA3 GLY 1 HA3 GLY 1 4.930 0.882 -1.491 6 H CYS 2 H CYS 2 7.549 0.515 -0.919 7 HA CYS 2 HA CYS 2 9.146 2.914 -0.925 8 HB2 CYS 2 HB2 CYS 2 9.649 -0.051 -1.276 9 HB3 CYS 2 HB3 CYS 2 10.971 1.091 -1.488 10 HA PRO 3 HA PRO 3 9.286 3.890 -5.111 11 HB2 PRO 3 HB2 PRO 3 11.810 4.764 -5.602 12 HB3 PRO 3 HB3 PRO 3 10.697 5.645 -4.500 13 HG2 PRO 3 HG2 PRO 3 12.840 3.618 -3.803 14 HG3 PRO 3 HG3 PRO 3 12.587 5.286 -3.133 15 HD2 PRO 3 HD2 PRO 3 11.617 3.134 -1.861 16 HD3 PRO 3 HD3 PRO 3 10.657 4.661 -1.949 17 H ARG 4 H ARG 4 9.569 3.090 -7.156 18 HA ARG 4 HA ARG 4 11.495 0.793 -7.477 19 HB2 ARG 4 HB2 ARG 4 9.622 -0.103 -8.998 20 HB3 ARG 4 HB3 ARG 4 9.449 -0.286 -7.237 21 HG2 ARG 4 HG2 ARG 4 7.872 1.489 -7.128 22 HG3 ARG 4 HG3 ARG 4 8.137 1.953 -8.813 23 HD2 ARG 4 HD2 ARG 4 7.229 -0.228 -9.547 24 HD3 ARG 4 HD3 ARG 4 6.968 -0.677 -7.872 25 HE ARG 4 HE ARG 4 5.100 0.695 -7.771 26 HH11 ARG 4 HH11 ARG 4 6.825 1.330 -10.814 27 HH12 ARG 4 HH12 ARG 4 5.498 2.239 -11.484 28 HH21 ARG 4 HH21 ARG 4 3.470 1.872 -8.708 29 HH22 ARG 4 HH22 ARG 4 3.628 2.562 -10.298 30 HA PRO 5 HA PRO 5 11.879 4.109 -10.667 31 HB2 PRO 5 HB2 PRO 5 14.600 4.332 -10.763 32 HB3 PRO 5 HB3 PRO 5 13.611 5.061 -9.447 33 HG2 PRO 5 HG2 PRO 5 15.065 2.396 -9.509 34 HG3 PRO 5 HG3 PRO 5 15.174 3.703 -8.284 35 HD2 PRO 5 HD2 PRO 5 13.632 1.569 -7.925 36 HD3 PRO 5 HD3 PRO 5 13.115 3.213 -7.372 37 H ARG 6 H ARG 6 12.914 0.820 -10.637 38 HA ARG 6 HA ARG 6 13.416 0.934 -13.459 39 HB2 ARG 6 HB2 ARG 6 14.618 -0.943 -11.588 40 HB3 ARG 6 HB3 ARG 6 14.928 -0.941 -13.192 41 HG2 ARG 6 HG2 ARG 6 15.925 1.231 -12.930 42 HG3 ARG 6 HG3 ARG 6 15.739 1.072 -11.315 43 HD2 ARG 6 HD2 ARG 6 17.120 -0.923 -11.436 44 HD3 ARG 6 HD3 ARG 6 17.426 -0.548 -12.996 45 HE ARG 6 HE ARG 6 18.514 0.729 -10.697 46 HH11 ARG 6 HH11 ARG 6 20.204 2.191 -11.046 47 HH12 ARG 6 HH12 ARG 6 20.572 2.723 -12.653 48 HH21 ARG 6 HH21 ARG 6 18.049 0.825 -14.164 49 HH22 ARG 6 HH22 ARG 6 19.343 1.945 -14.430 50 H GLY 7 H GLY 7 12.050 -0.962 -10.890 51 HA2 GLY 7 HA2 GLY 7 10.231 -2.446 -11.034 52 HA3 GLY 7 HA3 GLY 7 10.158 -2.155 -12.769 53 H ASP 8 H ASP 8 13.299 -2.771 -11.923 54 HA ASP 8 HA ASP 8 13.137 -5.667 -12.631 55 HB2 ASP 8 HB2 ASP 8 13.760 -4.160 -14.495 56 HB3 ASP 8 HB3 ASP 8 15.104 -3.517 -13.523 57 H ASN 9 H ASN 9 14.663 -3.184 -10.638 58 HA ASN 9 HA ASN 9 16.895 -4.869 -9.921 59 HB2 ASN 9 HB2 ASN 9 17.653 -2.763 -9.867 60 HB3 ASN 9 HB3 ASN 9 16.046 -2.075 -9.636 61 HD21 ASN 9 HD21 ASN 9 15.084 -2.291 -7.465 62 HD22 ASN 9 HD22 ASN 9 16.195 -2.052 -6.124 63 HA PRO 10 HA PRO 10 14.886 -6.889 -6.587 64 HB2 PRO 10 HB2 PRO 10 16.981 -7.570 -4.989 65 HB3 PRO 10 HB3 PRO 10 16.779 -8.256 -6.638 66 HG2 PRO 10 HG2 PRO 10 18.454 -5.982 -5.704 67 HG3 PRO 10 HG3 PRO 10 18.909 -7.376 -6.720 68 HD2 PRO 10 HD2 PRO 10 18.290 -4.967 -7.766 69 HD3 PRO 10 HD3 PRO 10 17.883 -6.500 -8.629 70 HA PRO 11 HA PRO 11 14.141 -4.190 -3.230 71 HB2 PRO 11 HB2 PRO 11 13.587 -5.813 -1.092 72 HB3 PRO 11 HB3 PRO 11 12.495 -5.655 -2.521 73 HG2 PRO 11 HG2 PRO 11 14.587 -7.722 -1.998 74 HG3 PRO 11 HG3 PRO 11 12.878 -7.949 -2.385 75 HD2 PRO 11 HD2 PRO 11 14.768 -8.122 -4.267 76 HD3 PRO 11 HD3 PRO 11 13.210 -7.286 -4.628 77 H LEU 12 H LEU 12 14.950 -3.364 -1.211 78 HA LEU 12 HA LEU 12 17.811 -3.831 -0.814 79 HB2 LEU 12 HB2 LEU 12 17.635 -2.017 0.836 80 HB3 LEU 12 HB3 LEU 12 16.897 -1.561 -0.676 81 HG LEU 12 HG LEU 12 14.772 -2.619 0.814 82 HD11 LEU 12 HD11 LEU 12 14.883 -1.278 2.904 83 HD12 LEU 12 HD12 LEU 12 16.565 -0.881 2.544 84 HD13 LEU 12 HD13 LEU 12 16.081 -2.566 2.839 85 HD21 LEU 12 HD21 LEU 12 14.021 -0.235 0.889 86 HD22 LEU 12 HD22 LEU 12 14.659 -0.666 -0.716 87 HD23 LEU 12 HD23 LEU 12 15.638 0.298 0.434 88 H THR 13 H THR 13 18.775 -4.427 1.230 89 HA THR 13 HA THR 13 17.357 -6.722 2.426 90 HB THR 13 HB THR 13 19.567 -6.768 3.792 91 HG1 THR 13 HG1 THR 13 20.194 -4.652 3.468 92 HG21 THR 13 HG21 THR 13 19.730 -6.891 0.763 93 HG22 THR 13 HG22 THR 13 19.286 -8.239 1.843 94 HG23 THR 13 HG23 THR 13 20.933 -7.541 1.882 95 H CYS 14 H CYS 14 16.958 -6.945 4.667 96 HA CYS 14 HA CYS 14 17.194 -4.632 6.467 97 HB2 CYS 14 HB2 CYS 14 14.811 -4.561 6.963 98 HB3 CYS 14 HB3 CYS 14 15.091 -4.274 5.250 99 H SER 15 H SER 15 16.313 -5.234 8.595 100 HA SER 15 HA SER 15 16.318 -8.178 9.147 101 HB2 SER 15 HB2 SER 15 18.516 -7.698 9.743 102 HB3 SER 15 HB3 SER 15 18.172 -6.037 10.095 103 HG SER 15 HG SER 15 18.131 -6.638 12.091 104 H GLN 16 H GLN 16 15.442 -4.849 9.938 105 HA GLN 16 HA GLN 16 13.095 -5.832 11.510 106 HB2 GLN 16 HB2 GLN 16 13.394 -3.909 13.002 107 HB3 GLN 16 HB3 GLN 16 14.770 -4.987 13.110 108 HG2 GLN 16 HG2 GLN 16 16.064 -3.476 11.585 109 HG3 GLN 16 HG3 GLN 16 14.722 -2.339 11.593 110 HE21 GLN 16 HE21 GLN 16 13.938 -2.263 14.226 111 HE22 GLN 16 HE22 GLN 16 15.275 -1.701 15.224 112 H ASP 17 H ASP 17 11.358 -4.129 11.399 113 HA ASP 17 HA ASP 17 10.970 -3.380 8.626 114 HB2 ASP 17 HB2 ASP 17 8.893 -2.369 9.388 115 HB3 ASP 17 HB3 ASP 17 9.083 -3.912 10.232 116 H SER 18 H SER 18 12.239 -1.739 11.429 117 HA SER 18 HA SER 18 11.866 0.940 10.550 118 HB2 SER 18 HB2 SER 18 12.327 0.246 12.881 119 HB3 SER 18 HB3 SER 18 13.992 -0.150 12.421 120 HG SER 18 HG SER 18 14.226 2.032 11.699 121 H ASP 19 H ASP 19 13.884 -1.464 9.260 122 HA ASP 19 HA ASP 19 16.103 0.277 8.444 123 HB2 ASP 19 HB2 ASP 19 15.166 -2.491 7.566 124 HB3 ASP 19 HB3 ASP 19 16.653 -1.705 6.961 125 H CYS 20 H CYS 20 12.872 -0.096 7.560 126 HA CYS 20 HA CYS 20 13.401 0.567 4.704 127 HB2 CYS 20 HB2 CYS 20 10.939 -0.625 6.040 128 HB3 CYS 20 HB3 CYS 20 11.109 -0.239 4.357 129 H LEU 21 H LEU 21 11.575 1.845 3.708 130 HA LEU 21 HA LEU 21 11.229 4.327 5.197 131 HB2 LEU 21 HB2 LEU 21 10.005 3.392 2.590 132 HB3 LEU 21 HB3 LEU 21 9.928 5.036 3.196 133 HG LEU 21 HG LEU 21 12.492 3.568 2.397 134 HD11 LEU 21 HD11 LEU 21 10.875 5.743 1.010 135 HD12 LEU 21 HD12 LEU 21 11.000 4.054 0.505 136 HD13 LEU 21 HD13 LEU 21 12.458 5.053 0.455 137 HD21 LEU 21 HD21 LEU 21 11.992 6.495 3.188 138 HD22 LEU 21 HD22 LEU 21 13.514 5.877 2.464 139 HD23 LEU 21 HD23 LEU 21 13.003 5.299 4.074 140 H ALA 22 H ALA 22 9.094 5.239 5.696 141 HA ALA 22 HA ALA 22 7.409 3.453 7.090 142 HB1 ALA 22 HB1 ALA 22 7.619 5.883 7.580 143 HB2 ALA 22 HB2 ALA 22 6.818 6.250 6.038 144 HB3 ALA 22 HB3 ALA 22 5.947 5.390 7.336 145 H GLY 23 H GLY 23 5.753 2.229 6.404 146 HA2 GLY 23 HA2 GLY 23 3.865 1.738 5.054 147 HA3 GLY 23 HA3 GLY 23 4.518 2.779 3.792 148 H CYS 24 H CYS 24 7.070 0.997 4.916 149 HA CYS 24 HA CYS 24 6.616 -1.238 2.915 150 HB2 CYS 24 HB2 CYS 24 9.239 0.084 3.798 151 HB3 CYS 24 HB3 CYS 24 9.058 -1.211 2.602 152 H VAL 25 H VAL 25 7.845 -3.235 3.704 153 HA VAL 25 HA VAL 25 8.016 -3.347 6.696 154 HB VAL 25 HB VAL 25 6.925 -5.581 6.598 155 HG11 VAL 25 HG11 VAL 25 5.591 -3.593 7.157 156 HG12 VAL 25 HG12 VAL 25 5.202 -3.347 5.431 157 HG13 VAL 25 HG13 VAL 25 4.609 -4.781 6.322 158 HG21 VAL 25 HG21 VAL 25 6.332 -4.910 3.677 159 HG22 VAL 25 HG22 VAL 25 7.386 -6.220 4.241 160 HG23 VAL 25 HG23 VAL 25 5.651 -6.279 4.584 161 H CYS 26 H CYS 26 9.215 -5.333 7.460 162 HA CYS 26 HA CYS 26 11.297 -6.135 5.484 163 HB2 CYS 26 HB2 CYS 26 12.000 -5.014 7.588 164 HB3 CYS 26 HB3 CYS 26 11.302 -6.349 8.501 165 H GLY 27 H GLY 27 11.089 -8.108 4.612 166 HA2 GLY 27 HA2 GLY 27 9.038 -9.906 5.727 167 HA3 GLY 27 HA3 GLY 27 9.799 -10.009 4.147 168 HA PRO 28 HA PRO 28 11.380 -13.128 7.403 169 HB2 PRO 28 HB2 PRO 28 10.349 -15.032 5.257 170 HB3 PRO 28 HB3 PRO 28 10.238 -15.198 7.060 171 HG2 PRO 28 HG2 PRO 28 8.135 -14.498 5.682 172 HG3 PRO 28 HG3 PRO 28 8.514 -13.667 7.180 173 HD2 PRO 28 HD2 PRO 28 8.930 -12.737 4.369 174 HD3 PRO 28 HD3 PRO 28 8.291 -11.854 5.791 175 H ASN 29 H ASN 29 11.855 -12.449 4.073 176 HA ASN 29 HA ASN 29 14.034 -14.371 3.706 177 HB2 ASN 29 HB2 ASN 29 12.958 -12.164 1.916 178 HB3 ASN 29 HB3 ASN 29 14.248 -13.273 1.474 179 HD21 ASN 29 HD21 ASN 29 12.293 -13.281 -0.221 180 HD22 ASN 29 HD22 ASN 29 11.250 -14.675 -0.046 181 H GLY 30 H GLY 30 13.827 -11.417 5.285 182 HA2 GLY 30 HA2 GLY 30 15.525 -10.025 6.043 183 HA3 GLY 30 HA3 GLY 30 16.711 -10.962 5.092 184 H PHE 31 H PHE 31 13.841 -9.894 3.469 185 HA PHE 31 HA PHE 31 15.313 -7.564 2.319 186 HB2 PHE 31 HB2 PHE 31 13.668 -9.687 0.882 187 HB3 PHE 31 HB3 PHE 31 14.082 -8.106 0.175 188 HD1 PHE 31 HD1 PHE 31 15.375 -11.467 0.940 189 HD2 PHE 31 HD2 PHE 31 16.443 -7.493 -0.261 190 HE1 PHE 31 HE1 PHE 31 17.558 -12.316 0.177 191 HE2 PHE 31 HE2 PHE 31 18.635 -8.326 -1.073 192 HZ PHE 31 HZ PHE 31 19.216 -10.745 -0.836 193 H CYS 32 H CYS 32 14.149 -5.809 1.815 194 HA CYS 32 HA CYS 32 11.738 -5.460 3.389 195 HB2 CYS 32 HB2 CYS 32 13.673 -3.797 2.851 196 HB3 CYS 32 HB3 CYS 32 12.908 -3.598 1.274 197 H GLY 33 H GLY 33 9.697 -4.721 2.561 198 HA2 GLY 33 HA2 GLY 33 9.176 -5.367 -0.293 199 HA3 GLY 33 HA3 GLY 33 8.120 -6.021 0.968 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 3.677 -3.584 2.738 2 H2 GLY 1 H2 GLY 1 4.654 -2.376 3.297 3 H3 GLY 1 H3 GLY 1 3.154 -2.018 2.718 4 HA2 GLY 1 HA2 GLY 1 5.361 -3.121 1.148 5 HA3 GLY 1 HA3 GLY 1 3.761 -2.698 0.522 6 H CYS 2 H CYS 2 6.732 -1.686 0.221 7 HA CYS 2 HA CYS 2 6.886 0.903 1.292 8 HB2 CYS 2 HB2 CYS 2 8.036 -0.264 -1.257 9 HB3 CYS 2 HB3 CYS 2 8.476 1.330 -0.626 10 HA PRO 3 HA PRO 3 3.970 3.079 -1.043 11 HB2 PRO 3 HB2 PRO 3 4.630 5.683 -0.601 12 HB3 PRO 3 HB3 PRO 3 4.004 4.625 0.704 13 HG2 PRO 3 HG2 PRO 3 6.841 5.389 0.075 14 HG3 PRO 3 HG3 PRO 3 6.002 5.361 1.656 15 HD2 PRO 3 HD2 PRO 3 7.638 3.347 0.740 16 HD3 PRO 3 HD3 PRO 3 6.289 3.072 1.882 17 H ARG 4 H ARG 4 3.675 3.693 -3.094 18 HA ARG 4 HA ARG 4 4.191 3.949 -5.338 19 HB2 ARG 4 HB2 ARG 4 5.870 6.212 -4.207 20 HB3 ARG 4 HB3 ARG 4 5.292 6.058 -5.871 21 HG2 ARG 4 HG2 ARG 4 2.934 6.125 -5.003 22 HG3 ARG 4 HG3 ARG 4 3.587 6.423 -3.382 23 HD2 ARG 4 HD2 ARG 4 2.986 8.546 -4.287 24 HD3 ARG 4 HD3 ARG 4 4.758 8.458 -4.313 25 HE ARG 4 HE ARG 4 3.804 7.527 -6.809 26 HH11 ARG 4 HH11 ARG 4 3.910 10.576 -5.030 27 HH12 ARG 4 HH12 ARG 4 3.891 11.533 -6.487 28 HH21 ARG 4 HH21 ARG 4 3.790 8.815 -8.625 29 HH22 ARG 4 HH22 ARG 4 3.817 10.551 -8.482 30 HA PRO 5 HA PRO 5 8.454 2.132 -4.942 31 HB2 PRO 5 HB2 PRO 5 8.025 -0.378 -5.935 32 HB3 PRO 5 HB3 PRO 5 7.693 0.048 -4.225 33 HG2 PRO 5 HG2 PRO 5 5.784 -0.065 -6.545 34 HG3 PRO 5 HG3 PRO 5 5.636 -0.818 -4.924 35 HD2 PRO 5 HD2 PRO 5 4.437 1.530 -5.516 36 HD3 PRO 5 HD3 PRO 5 5.150 1.237 -3.897 37 H ARG 6 H ARG 6 9.994 1.842 -6.586 38 HA ARG 6 HA ARG 6 9.324 3.085 -9.088 39 HB2 ARG 6 HB2 ARG 6 11.550 3.234 -7.978 40 HB3 ARG 6 HB3 ARG 6 11.801 1.514 -8.271 41 HG2 ARG 6 HG2 ARG 6 13.045 2.593 -9.959 42 HG3 ARG 6 HG3 ARG 6 11.583 2.028 -10.763 43 HD2 ARG 6 HD2 ARG 6 11.955 4.218 -11.573 44 HD3 ARG 6 HD3 ARG 6 10.609 4.347 -10.431 45 HE ARG 6 HE ARG 6 11.955 5.581 -8.976 46 HH11 ARG 6 HH11 ARG 6 13.978 4.340 -11.606 47 HH12 ARG 6 HH12 ARG 6 15.322 5.360 -11.169 48 HH21 ARG 6 HH21 ARG 6 13.718 6.841 -8.484 49 HH22 ARG 6 HH22 ARG 6 15.172 6.746 -9.436 50 H GLY 7 H GLY 7 9.944 -0.327 -8.196 51 HA2 GLY 7 HA2 GLY 7 9.209 -2.233 -9.338 52 HA3 GLY 7 HA3 GLY 7 8.609 -1.207 -10.648 53 H ASP 8 H ASP 8 11.262 0.173 -10.759 54 HA ASP 8 HA ASP 8 12.619 -1.741 -12.556 55 HB2 ASP 8 HB2 ASP 8 11.793 0.585 -13.262 56 HB3 ASP 8 HB3 ASP 8 13.080 1.243 -12.242 57 H ASN 9 H ASN 9 12.859 -1.691 -9.513 58 HA ASN 9 HA ASN 9 15.782 -1.275 -9.394 59 HB2 ASN 9 HB2 ASN 9 15.475 0.619 -8.249 60 HB3 ASN 9 HB3 ASN 9 13.748 0.323 -8.106 61 HD21 ASN 9 HD21 ASN 9 13.095 -1.295 -6.393 62 HD22 ASN 9 HD22 ASN 9 13.985 -1.209 -4.897 63 HA PRO 10 HA PRO 10 15.521 -5.186 -7.405 64 HB2 PRO 10 HB2 PRO 10 17.944 -5.392 -6.190 65 HB3 PRO 10 HB3 PRO 10 17.794 -5.303 -7.976 66 HG2 PRO 10 HG2 PRO 10 18.417 -3.118 -6.012 67 HG3 PRO 10 HG3 PRO 10 19.264 -3.547 -7.532 68 HD2 PRO 10 HD2 PRO 10 17.402 -1.547 -7.359 69 HD3 PRO 10 HD3 PRO 10 17.634 -2.505 -8.855 70 HA PRO 11 HA PRO 11 14.247 -4.503 -3.258 71 HB2 PRO 11 HB2 PRO 11 14.514 -6.893 -1.989 72 HB3 PRO 11 HB3 PRO 11 13.313 -6.647 -3.295 73 HG2 PRO 11 HG2 PRO 11 16.081 -7.834 -3.479 74 HG3 PRO 11 HG3 PRO 11 14.526 -8.507 -4.070 75 HD2 PRO 11 HD2 PRO 11 16.210 -7.158 -5.709 76 HD3 PRO 11 HD3 PRO 11 14.425 -6.999 -5.867 77 H LEU 12 H LEU 12 15.015 -4.038 -1.147 78 HA LEU 12 HA LEU 12 17.981 -4.147 -0.874 79 HB2 LEU 12 HB2 LEU 12 17.823 -2.326 0.634 80 HB3 LEU 12 HB3 LEU 12 16.912 -1.900 -0.801 81 HG LEU 12 HG LEU 12 15.430 -2.940 1.593 82 HD11 LEU 12 HD11 LEU 12 16.495 -0.116 1.255 83 HD12 LEU 12 HD12 LEU 12 16.967 -1.288 2.511 84 HD13 LEU 12 HD13 LEU 12 15.317 -0.642 2.482 85 HD21 LEU 12 HD21 LEU 12 14.809 -0.885 -0.579 86 HD22 LEU 12 HD22 LEU 12 13.728 -1.295 0.774 87 HD23 LEU 12 HD23 LEU 12 14.124 -2.520 -0.441 88 H THR 13 H THR 13 18.853 -4.709 1.240 89 HA THR 13 HA THR 13 17.361 -6.902 2.470 90 HB THR 13 HB THR 13 19.429 -6.986 3.957 91 HG1 THR 13 HG1 THR 13 19.964 -4.742 3.644 92 HG21 THR 13 HG21 THR 13 20.924 -7.806 2.202 93 HG22 THR 13 HG22 THR 13 19.948 -6.998 0.956 94 HG23 THR 13 HG23 THR 13 19.259 -8.347 1.894 95 H CYS 14 H CYS 14 16.916 -7.020 4.769 96 HA CYS 14 HA CYS 14 17.097 -4.570 6.373 97 HB2 CYS 14 HB2 CYS 14 14.689 -4.527 6.875 98 HB3 CYS 14 HB3 CYS 14 14.951 -4.258 5.145 99 H SER 15 H SER 15 16.447 -5.084 8.591 100 HA SER 15 HA SER 15 16.233 -8.009 9.191 101 HB2 SER 15 HB2 SER 15 18.385 -7.808 9.902 102 HB3 SER 15 HB3 SER 15 18.282 -6.045 10.031 103 HG SER 15 HG SER 15 16.746 -7.462 11.859 104 H GLN 16 H GLN 16 15.225 -4.745 9.566 105 HA GLN 16 HA GLN 16 12.971 -5.631 11.260 106 HB2 GLN 16 HB2 GLN 16 13.186 -3.596 12.680 107 HB3 GLN 16 HB3 GLN 16 14.542 -4.707 12.915 108 HG2 GLN 16 HG2 GLN 16 15.926 -3.332 11.403 109 HG3 GLN 16 HG3 GLN 16 14.588 -2.200 11.210 110 HE21 GLN 16 HE21 GLN 16 17.224 -1.665 12.135 111 HE22 GLN 16 HE22 GLN 16 17.072 -1.072 13.781 112 H ASP 17 H ASP 17 11.214 -3.875 11.045 113 HA ASP 17 HA ASP 17 11.076 -3.080 8.247 114 HB2 ASP 17 HB2 ASP 17 8.896 -2.138 8.858 115 HB3 ASP 17 HB3 ASP 17 9.066 -3.787 9.478 116 H SER 18 H SER 18 12.028 -1.632 11.247 117 HA SER 18 HA SER 18 11.851 1.116 10.624 118 HB2 SER 18 HB2 SER 18 14.206 0.338 12.188 119 HB3 SER 18 HB3 SER 18 12.786 1.297 12.667 120 HG SER 18 HG SER 18 13.236 -0.993 13.582 121 H ASP 19 H ASP 19 13.889 -1.211 9.138 122 HA ASP 19 HA ASP 19 16.154 0.575 8.620 123 HB2 ASP 19 HB2 ASP 19 15.300 -2.067 7.366 124 HB3 ASP 19 HB3 ASP 19 16.824 -1.238 7.024 125 H CYS 20 H CYS 20 12.987 0.330 7.458 126 HA CYS 20 HA CYS 20 13.735 1.415 4.773 127 HB2 CYS 20 HB2 CYS 20 11.373 -0.301 5.584 128 HB3 CYS 20 HB3 CYS 20 11.723 0.292 3.959 129 H LEU 21 H LEU 21 11.533 2.355 3.767 130 HA LEU 21 HA LEU 21 10.899 4.713 5.303 131 HB2 LEU 21 HB2 LEU 21 9.333 3.537 2.982 132 HB3 LEU 21 HB3 LEU 21 9.283 5.195 3.546 133 HG LEU 21 HG LEU 21 11.570 3.831 2.112 134 HD11 LEU 21 HD11 LEU 21 9.655 4.346 0.687 135 HD12 LEU 21 HD12 LEU 21 11.016 5.418 0.305 136 HD13 LEU 21 HD13 LEU 21 9.648 6.029 1.266 137 HD21 LEU 21 HD21 LEU 21 12.497 5.475 3.683 138 HD22 LEU 21 HD22 LEU 21 11.344 6.705 3.110 139 HD23 LEU 21 HD23 LEU 21 12.615 6.092 2.025 140 H ALA 22 H ALA 22 8.896 5.249 6.312 141 HA ALA 22 HA ALA 22 7.504 3.159 7.646 142 HB1 ALA 22 HB1 ALA 22 6.575 6.003 7.002 143 HB2 ALA 22 HB2 ALA 22 5.845 4.917 8.209 144 HB3 ALA 22 HB3 ALA 22 7.503 5.516 8.444 145 H GLY 23 H GLY 23 5.890 1.853 6.985 146 HA2 GLY 23 HA2 GLY 23 3.871 1.469 5.665 147 HA3 GLY 23 HA3 GLY 23 4.567 2.460 4.369 148 H CYS 24 H CYS 24 7.284 1.281 4.751 149 HA CYS 24 HA CYS 24 6.987 -1.118 3.100 150 HB2 CYS 24 HB2 CYS 24 9.332 0.003 4.675 151 HB3 CYS 24 HB3 CYS 24 9.430 -1.353 3.550 152 H VAL 25 H VAL 25 7.804 -3.245 3.853 153 HA VAL 25 HA VAL 25 7.801 -3.553 6.825 154 HB VAL 25 HB VAL 25 6.601 -5.745 6.582 155 HG11 VAL 25 HG11 VAL 25 4.333 -4.820 6.365 156 HG12 VAL 25 HG12 VAL 25 5.373 -3.710 7.283 157 HG13 VAL 25 HG13 VAL 25 4.982 -3.356 5.587 158 HG21 VAL 25 HG21 VAL 25 7.038 -6.192 4.190 159 HG22 VAL 25 HG22 VAL 25 5.296 -6.217 4.520 160 HG23 VAL 25 HG23 VAL 25 6.032 -4.805 3.726 161 H CYS 26 H CYS 26 9.170 -5.281 7.520 162 HA CYS 26 HA CYS 26 11.197 -6.001 5.473 163 HB2 CYS 26 HB2 CYS 26 11.960 -5.014 7.611 164 HB3 CYS 26 HB3 CYS 26 11.215 -6.346 8.500 165 H GLY 27 H GLY 27 11.138 -7.998 4.548 166 HA2 GLY 27 HA2 GLY 27 9.032 -9.790 5.526 167 HA3 GLY 27 HA3 GLY 27 9.891 -9.911 3.992 168 HA PRO 28 HA PRO 28 11.369 -12.984 7.369 169 HB2 PRO 28 HB2 PRO 28 10.280 -14.919 5.336 170 HB3 PRO 28 HB3 PRO 28 10.174 -14.971 7.124 171 HG2 PRO 28 HG2 PRO 28 8.052 -14.307 5.702 172 HG3 PRO 28 HG3 PRO 28 8.467 -13.378 7.177 173 HD2 PRO 28 HD2 PRO 28 8.991 -12.681 4.294 174 HD3 PRO 28 HD3 PRO 28 8.303 -11.672 5.613 175 H ASN 29 H ASN 29 11.863 -12.496 3.964 176 HA ASN 29 HA ASN 29 14.043 -14.457 3.778 177 HB2 ASN 29 HB2 ASN 29 12.380 -13.747 1.908 178 HB3 ASN 29 HB3 ASN 29 13.391 -12.302 1.753 179 HD21 ASN 29 HD21 ASN 29 14.749 -12.490 0.095 180 HD22 ASN 29 HD22 ASN 29 15.564 -13.957 -0.380 181 H GLY 30 H GLY 30 13.842 -11.503 5.276 182 HA2 GLY 30 HA2 GLY 30 15.572 -10.152 6.050 183 HA3 GLY 30 HA3 GLY 30 16.727 -11.092 5.085 184 H PHE 31 H PHE 31 13.903 -9.900 3.488 185 HA PHE 31 HA PHE 31 15.421 -7.597 2.364 186 HB2 PHE 31 HB2 PHE 31 13.960 -9.788 0.887 187 HB3 PHE 31 HB3 PHE 31 14.122 -8.167 0.200 188 HD1 PHE 31 HD1 PHE 31 16.032 -11.160 1.291 189 HD2 PHE 31 HD2 PHE 31 16.200 -7.347 -0.673 190 HE1 PHE 31 HE1 PHE 31 18.298 -11.715 0.437 191 HE2 PHE 31 HE2 PHE 31 18.458 -7.885 -1.555 192 HZ PHE 31 HZ PHE 31 19.518 -10.077 -1.003 193 H CYS 32 H CYS 32 14.231 -5.833 1.817 194 HA CYS 32 HA CYS 32 11.769 -5.591 3.384 195 HB2 CYS 32 HB2 CYS 32 13.833 -3.992 3.188 196 HB3 CYS 32 HB3 CYS 32 13.039 -3.418 1.720 197 H GLY 33 H GLY 33 9.768 -4.652 2.518 198 HA2 GLY 33 HA2 GLY 33 9.535 -4.499 -0.416 199 HA3 GLY 33 HA3 GLY 33 8.602 -5.782 0.359
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