NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10484 | 1pt4 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 H CYS 1 3.301 2.414 -3.840 2 HA CYS 1 HA CYS 1 5.108 0.203 -4.159 3 1HB CYS 1 2HB CYS 1 2.605 0.614 -2.524 4 2HB CYS 1 1HB CYS 1 3.460 -0.918 -2.575 5 H GLY 2 H GLY 2 2.046 1.231 -5.370 6 1HA GLY 2 2HA GLY 2 0.684 0.399 -7.011 7 2HA GLY 2 1HA GLY 2 2.025 -0.636 -7.475 8 H GLU 3 H GLU 3 0.465 -0.652 -4.316 9 HA GLU 3 HA GLU 3 -0.974 -3.089 -5.000 10 1HB GLU 3 2HB GLU 3 1.458 -3.488 -4.033 11 2HB GLU 3 1HB GLU 3 0.661 -3.156 -2.501 12 1HG GLU 3 2HG GLU 3 -1.013 -4.930 -3.120 13 2HG GLU 3 1HG GLU 3 0.054 -5.350 -4.458 14 H THR 4 H THR 4 -2.834 -3.303 -3.892 15 HA THR 4 HA THR 4 -3.492 -1.156 -2.020 16 HB THR 4 HB THR 4 -5.845 -1.921 -2.356 17 HG1 THR 4 1HG THR 4 -4.853 -4.057 -3.276 18 1HG2 THR 4 1HG2 THR 4 -4.607 -1.299 -5.022 19 2HG2 THR 4 2HG2 THR 4 -4.597 -0.112 -3.718 20 3HG2 THR 4 3HG2 THR 4 -6.130 -0.721 -4.343 21 H CYS 5 H CYS 5 -4.297 -1.541 -0.003 22 HA CYS 5 HA CYS 5 -4.090 -4.298 0.971 23 1HB CYS 5 2HB CYS 5 -3.492 -3.343 3.169 24 2HB CYS 5 1HB CYS 5 -2.325 -2.940 1.917 25 H PHE 6 H PHE 6 -6.389 -4.029 -0.012 26 HA PHE 6 HA PHE 6 -8.396 -2.638 1.327 27 1HB PHE 6 2HB PHE 6 -8.391 -5.151 -0.312 28 2HB PHE 6 1HB PHE 6 -9.863 -4.642 0.505 29 HD1 PHE 6 1HD PHE 6 -7.229 -2.682 -1.276 30 HD2 PHE 6 2HD PHE 6 -11.313 -3.859 -1.088 31 HE1 PHE 6 1HE PHE 6 -7.748 -1.163 -3.139 32 HE2 PHE 6 2HE PHE 6 -11.840 -2.343 -2.952 33 HZ PHE 6 HZ PHE 6 -10.056 -0.991 -3.980 34 H GLY 7 H GLY 7 -6.845 -5.694 2.078 35 1HA GLY 7 2HA GLY 7 -8.608 -6.025 4.407 36 2HA GLY 7 1HA GLY 7 -7.547 -7.261 3.740 37 H GLY 8 H GLY 8 -6.195 -4.134 3.941 38 1HA GLY 8 2HA GLY 8 -4.631 -3.185 5.327 39 2HA GLY 8 1HA GLY 8 -5.253 -4.200 6.621 40 H THR 9 H THR 9 -3.846 -5.203 3.537 41 HA THR 9 HA THR 9 -1.410 -6.030 4.842 42 HB THR 9 HB THR 9 -2.921 -7.924 5.289 43 HG1 THR 9 1HG THR 9 -1.286 -9.226 4.962 44 1HG2 THR 9 1HG2 THR 9 -3.930 -7.437 2.769 45 2HG2 THR 9 2HG2 THR 9 -4.275 -8.851 3.766 46 3HG2 THR 9 3HG2 THR 9 -2.999 -8.918 2.551 47 H CYS 10 H CYS 10 0.287 -6.402 3.418 48 HA CYS 10 HA CYS 10 -0.214 -6.235 0.558 49 1HB CYS 10 2HB CYS 10 1.249 -4.164 2.158 50 2HB CYS 10 1HB CYS 10 1.731 -4.480 0.496 51 H ASN 11 H ASN 11 1.234 -7.255 -0.657 52 HA ASN 11 HA ASN 11 3.062 -9.064 0.613 53 1HB ASN 11 2HB ASN 11 1.894 -9.808 -1.353 54 2HB ASN 11 1HB ASN 11 2.462 -8.425 -2.281 55 1HD2 ASN 11 1HD2 ASN 11 4.120 -8.759 -3.554 56 2HD2 ASN 11 2HD2 ASN 11 5.272 -10.040 -3.414 57 H THR 12 H THR 12 3.343 -6.171 -1.389 58 HA THR 12 HA THR 12 6.139 -6.175 -1.665 59 HB THR 12 HB THR 12 4.340 -3.743 -1.595 60 HG1 THR 12 1HG THR 12 3.518 -5.193 -3.116 61 1HG2 THR 12 1HG2 THR 12 7.111 -3.961 -1.867 62 2HG2 THR 12 2HG2 THR 12 6.115 -2.559 -2.261 63 3HG2 THR 12 3HG2 THR 12 6.508 -3.740 -3.510 64 HA PRO 13 HA PRO 13 7.168 -5.336 2.597 65 1HB PRO 13 2HB PRO 13 9.862 -5.254 2.219 66 2HB PRO 13 1HB PRO 13 8.938 -6.756 2.331 67 1HG PRO 13 2HG PRO 13 9.919 -5.311 -0.098 68 2HG PRO 13 1HG PRO 13 9.931 -7.049 0.252 69 1HD PRO 13 2HD PRO 13 8.076 -5.909 -1.348 70 2HD PRO 13 1HD PRO 13 7.709 -7.306 -0.315 71 H GLY 14 H GLY 14 7.749 -3.626 3.818 72 1HA GLY 14 2HA GLY 14 8.386 -1.499 4.391 73 2HA GLY 14 1HA GLY 14 9.181 -1.370 2.832 74 H CYS 15 H CYS 15 5.777 -2.149 2.995 75 HA CYS 15 HA CYS 15 5.235 0.572 2.048 76 1HB CYS 15 2HB CYS 15 3.926 -2.048 1.319 77 2HB CYS 15 1HB CYS 15 3.263 -0.478 0.883 78 H SER 16 H SER 16 4.037 1.783 3.310 79 HA SER 16 HA SER 16 2.754 0.672 5.641 80 1HB SER 16 2HB SER 16 3.955 2.873 5.667 81 2HB SER 16 1HB SER 16 2.713 3.521 4.598 82 HG SER 16 HG SER 16 2.629 3.571 7.153 83 H CYS 17 H CYS 17 0.659 0.094 5.760 84 HA CYS 17 HA CYS 17 -0.920 0.216 3.396 85 1HB CYS 17 2HB CYS 17 -1.141 -1.740 4.757 86 2HB CYS 17 1HB CYS 17 -1.543 -0.780 6.178 87 H THR 18 H THR 18 -1.309 2.330 2.918 88 HA THR 18 HA THR 18 -2.779 3.976 4.817 89 HB THR 18 HB THR 18 -2.073 4.665 1.954 90 HG1 THR 18 1HG THR 18 -0.465 4.424 4.177 91 1HG2 THR 18 1HG2 THR 18 -2.767 6.767 2.420 92 2HG2 THR 18 2HG2 THR 18 -2.112 6.725 4.058 93 3HG2 THR 18 3HG2 THR 18 -3.677 5.988 3.714 94 H TRP 19 H TRP 19 -4.313 2.169 4.768 95 HA TRP 19 HA TRP 19 -5.829 1.000 3.051 96 1HB TRP 19 2HB TRP 19 -6.207 1.260 5.574 97 2HB TRP 19 1HB TRP 19 -7.290 2.582 5.147 98 HD1 TRP 19 HD TRP 19 -6.879 -1.151 4.134 99 HE1 TRP 19 1HE TRP 19 -9.231 -2.173 3.901 100 HE3 TRP 19 3HE TRP 19 -9.668 3.018 5.129 101 HZ2 TRP 19 2HZ TRP 19 -11.913 -1.315 4.106 102 HZ3 TRP 19 3HZ TRP 19 -12.121 2.832 5.087 103 HH2 TRP 19 HH TRP 19 -13.218 0.710 4.587 104 HA PRO 20 HA PRO 20 -6.750 0.285 1.927 105 1HB PRO 20 2HB PRO 20 -8.003 -0.241 -0.362 106 2HB PRO 20 1HB PRO 20 -8.911 0.185 1.093 107 1HG PRO 20 2HG PRO 20 -8.420 1.779 -1.346 108 2HG PRO 20 1HG PRO 20 -9.734 1.906 -0.166 109 1HD PRO 20 2HD PRO 20 -7.290 3.454 -0.319 110 2HD PRO 20 1HD PRO 20 -8.657 3.655 0.797 111 H ILE 21 H ILE 21 -4.775 2.378 0.829 112 HA ILE 21 HA ILE 21 -3.603 0.613 -1.233 113 HB ILE 21 HB ILE 21 -3.554 3.638 -1.307 114 1HG1 ILE 21 2HG1 ILE 21 -4.969 1.683 -3.135 115 2HG1 ILE 21 1HG1 ILE 21 -5.757 2.664 -1.906 116 1HG2 ILE 21 1HG2 ILE 21 -2.462 3.361 -3.480 117 2HG2 ILE 21 2HG2 ILE 21 -2.455 1.612 -3.255 118 3HG2 ILE 21 3HG2 ILE 21 -1.507 2.641 -2.183 119 1HD1 ILE 21 1HD1 ILE 21 -5.915 3.508 -4.263 120 2HD1 ILE 21 2HD1 ILE 21 -4.187 3.845 -4.175 121 3HD1 ILE 21 3HD1 ILE 21 -5.302 4.662 -3.079 122 H CYS 22 H CYS 22 -1.502 0.079 -0.896 123 HA CYS 22 HA CYS 22 -0.227 1.076 1.477 124 1HB CYS 22 2HB CYS 22 0.494 -1.018 -0.538 125 2HB CYS 22 1HB CYS 22 1.668 -0.473 0.659 126 H THR 23 H THR 23 1.322 2.500 1.689 127 HA THR 23 HA THR 23 2.415 3.719 -0.771 128 HB THR 23 HB THR 23 2.665 5.807 0.543 129 HG1 THR 23 1HG THR 23 0.903 5.086 2.521 130 1HG2 THR 23 1HG2 THR 23 0.088 6.135 0.887 131 2HG2 THR 23 2HG2 THR 23 -0.016 4.549 0.123 132 3HG2 THR 23 3HG2 THR 23 0.740 5.892 -0.734 133 H ARG 24 H ARG 24 4.546 4.320 -0.827 134 HA ARG 24 HA ARG 24 6.311 2.941 1.053 135 1HB ARG 24 2HB ARG 24 6.693 2.536 -1.343 136 2HB ARG 24 1HB ARG 24 6.858 4.263 -1.622 137 1HG ARG 24 2HG ARG 24 9.021 3.156 -1.598 138 2HG ARG 24 1HG ARG 24 8.881 4.304 -0.267 139 1HD ARG 24 2HD ARG 24 9.940 2.195 0.422 140 2HD ARG 24 1HD ARG 24 8.438 2.506 1.287 141 HE ARG 24 HE ARG 24 7.651 0.546 0.468 142 1HH1 ARG 24 1HH1 ARG 24 10.172 1.636 -1.708 143 2HH1 ARG 24 2HH1 ARG 24 10.062 0.248 -2.735 144 1HH2 ARG 24 1HH2 ARG 24 7.513 -1.289 -0.877 145 2HH2 ARG 24 2HH2 ARG 24 8.545 -1.420 -2.261 146 H ASP 25 H ASP 25 5.910 4.392 2.739 147 HA ASP 25 HA ASP 25 6.362 6.135 4.101 148 1HB ASP 25 2HB ASP 25 8.710 5.779 3.149 149 2HB ASP 25 1HB ASP 25 8.367 7.135 2.079 150 H GLY 26 H GLY 26 4.148 6.367 2.662 151 1HA GLY 26 2HA GLY 26 2.636 8.169 2.503 152 2HA GLY 26 1HA GLY 26 3.990 9.253 2.242 153 H LEU 27 H LEU 27 5.071 7.392 0.113 154 HA LEU 27 HA LEU 27 3.422 8.488 -2.014 155 1HB LEU 27 2HB LEU 27 6.128 7.172 -2.026 156 2HB LEU 27 1HB LEU 27 5.291 7.665 -3.488 157 HG LEU 27 HG LEU 27 6.022 9.554 -1.264 158 1HD1 LEU 27 1HD1 LEU 27 7.983 10.105 -2.334 159 2HD1 LEU 27 2HD1 LEU 27 7.431 9.487 -3.890 160 3HD1 LEU 27 3HD1 LEU 27 7.918 8.366 -2.619 161 1HD2 LEU 27 1HD2 LEU 27 4.784 11.032 -2.355 162 2HD2 LEU 27 2HD2 LEU 27 4.316 9.784 -3.509 163 3HD2 LEU 27 3HD2 LEU 27 5.742 10.775 -3.812 164 HA PRO 28 HA PRO 28 1.475 4.486 -2.506 165 1HB PRO 28 2HB PRO 28 0.118 5.696 -4.792 166 2HB PRO 28 1HB PRO 28 -0.563 5.126 -3.266 167 1HG PRO 28 2HG PRO 28 -0.432 7.752 -3.917 168 2HG PRO 28 1HG PRO 28 -0.325 7.171 -2.245 169 1HD PRO 28 2HD PRO 28 1.868 8.040 -4.094 170 2HD PRO 28 1HD PRO 28 1.657 8.374 -2.361 171 H VAL 29 H VAL 29 4.077 4.939 -3.669 172 HA VAL 29 HA VAL 29 3.866 4.088 -6.439 173 HB VAL 29 HB VAL 29 6.336 4.187 -6.451 174 1HG1 VAL 29 1HG1 VAL 29 6.414 6.465 -6.666 175 2HG1 VAL 29 2HG1 VAL 29 5.468 6.747 -5.205 176 3HG1 VAL 29 3HG1 VAL 29 4.669 6.209 -6.682 177 1HG2 VAL 29 1HG2 VAL 29 6.719 5.599 -3.984 178 2HG2 VAL 29 2HG2 VAL 29 7.543 4.161 -4.585 179 3HG2 VAL 29 3HG2 VAL 29 6.048 4.000 -3.661 Start of MODEL 2 1 1H CYS 1 H CYS 1 3.101 2.148 -3.825 2 HA CYS 1 HA CYS 1 4.944 -0.053 -3.832 3 1HB CYS 1 2HB CYS 1 2.261 0.371 -2.517 4 2HB CYS 1 1HB CYS 1 3.184 -1.112 -2.360 5 H GLY 2 H GLY 2 1.995 0.835 -5.407 6 1HA GLY 2 2HA GLY 2 0.806 -0.153 -7.104 7 2HA GLY 2 1HA GLY 2 2.190 -1.213 -7.346 8 H GLU 3 H GLU 3 0.337 -0.884 -4.377 9 HA GLU 3 HA GLU 3 -1.058 -3.381 -4.833 10 1HB GLU 3 2HB GLU 3 1.100 -4.123 -3.958 11 2HB GLU 3 1HB GLU 3 0.944 -3.030 -2.592 12 1HG GLU 3 2HG GLU 3 0.460 -5.336 -1.976 13 2HG GLU 3 1HG GLU 3 -0.942 -4.292 -1.756 14 H THR 4 H THR 4 -2.856 -3.611 -3.588 15 HA THR 4 HA THR 4 -3.633 -1.239 -2.036 16 HB THR 4 HB THR 4 -5.953 -2.156 -2.247 17 HG1 THR 4 1HG THR 4 -4.541 -4.208 -3.444 18 1HG2 THR 4 1HG2 THR 4 -4.884 -0.455 -3.815 19 2HG2 THR 4 2HG2 THR 4 -6.305 -1.308 -4.421 20 3HG2 THR 4 3HG2 THR 4 -4.694 -1.787 -4.956 21 H CYS 5 H CYS 5 -4.564 -1.479 0.044 22 HA CYS 5 HA CYS 5 -4.117 -4.123 1.231 23 1HB CYS 5 2HB CYS 5 -3.339 -3.081 3.293 24 2HB CYS 5 1HB CYS 5 -2.326 -2.620 1.933 25 H PHE 6 H PHE 6 -6.529 -3.848 0.370 26 HA PHE 6 HA PHE 6 -8.434 -2.462 1.853 27 1HB PHE 6 2HB PHE 6 -8.572 -5.081 0.368 28 2HB PHE 6 1HB PHE 6 -9.976 -4.422 1.198 29 HD1 PHE 6 1HD PHE 6 -7.317 -2.921 -0.968 30 HD2 PHE 6 2HD PHE 6 -11.471 -3.553 -0.290 31 HE1 PHE 6 1HE PHE 6 -7.844 -1.539 -2.935 32 HE2 PHE 6 2HE PHE 6 -12.004 -2.175 -2.256 33 HZ PHE 6 HZ PHE 6 -10.191 -1.166 -3.581 34 H GLY 7 H GLY 7 -6.704 -5.390 2.538 35 1HA GLY 7 2HA GLY 7 -7.816 -5.372 5.261 36 2HA GLY 7 1HA GLY 7 -7.699 -6.885 4.365 37 H GLY 8 H GLY 8 -5.448 -4.158 4.447 38 1HA GLY 8 2HA GLY 8 -3.241 -4.008 5.087 39 2HA GLY 8 1HA GLY 8 -3.563 -5.313 6.220 40 H THR 9 H THR 9 -3.989 -5.527 2.756 41 HA THR 9 HA THR 9 -2.208 -7.800 2.653 42 HB THR 9 HB THR 9 -3.079 -7.801 0.216 43 HG1 THR 9 1HG THR 9 -4.044 -5.885 -0.075 44 1HG2 THR 9 1HG2 THR 9 -3.821 -9.354 1.991 45 2HG2 THR 9 2HG2 THR 9 -5.131 -8.917 0.895 46 3HG2 THR 9 3HG2 THR 9 -5.033 -8.174 2.491 47 H CYS 10 H CYS 10 -0.582 -5.646 3.091 48 HA CYS 10 HA CYS 10 0.311 -4.589 0.551 49 1HB CYS 10 2HB CYS 10 1.486 -4.305 3.313 50 2HB CYS 10 1HB CYS 10 2.119 -3.516 1.880 51 H ASN 11 H ASN 11 1.027 -6.228 -0.677 52 HA ASN 11 HA ASN 11 2.750 -8.291 0.233 53 1HB ASN 11 2HB ASN 11 1.879 -7.335 -2.477 54 2HB ASN 11 1HB ASN 11 3.178 -8.516 -2.336 55 1HD2 ASN 11 1HD2 ASN 11 -0.066 -8.168 -2.752 56 2HD2 ASN 11 2HD2 ASN 11 -0.579 -9.724 -2.181 57 H THR 12 H THR 12 3.262 -5.158 -1.266 58 HA THR 12 HA THR 12 6.044 -5.455 -1.722 59 HB THR 12 HB THR 12 4.707 -2.811 -1.234 60 HG1 THR 12 1HG THR 12 4.365 -3.268 -3.748 61 1HG2 THR 12 1HG2 THR 12 7.202 -3.660 -2.270 62 2HG2 THR 12 2HG2 THR 12 6.573 -2.015 -2.166 63 3HG2 THR 12 3HG2 THR 12 6.283 -2.981 -3.614 64 HA PRO 13 HA PRO 13 7.299 -5.299 2.548 65 1HB PRO 13 2HB PRO 13 9.956 -4.691 1.406 66 2HB PRO 13 1HB PRO 13 9.458 -6.016 2.461 67 1HG PRO 13 2HG PRO 13 9.990 -6.433 -0.123 68 2HG PRO 13 1HG PRO 13 8.680 -7.302 0.699 69 1HD PRO 13 2HD PRO 13 8.531 -4.951 -1.152 70 2HD PRO 13 1HD PRO 13 7.481 -6.381 -1.059 71 H GLY 14 H GLY 14 7.405 -3.810 4.030 72 1HA GLY 14 2HA GLY 14 7.798 -1.832 5.117 73 2HA GLY 14 1HA GLY 14 8.844 -1.370 3.786 74 H CYS 15 H CYS 15 5.578 -2.237 3.043 75 HA CYS 15 HA CYS 15 5.096 0.541 2.310 76 1HB CYS 15 2HB CYS 15 3.681 -2.032 1.631 77 2HB CYS 15 1HB CYS 15 2.999 -0.453 1.245 78 H SER 16 H SER 16 3.857 1.871 3.403 79 HA SER 16 HA SER 16 2.554 0.978 5.819 80 1HB SER 16 2HB SER 16 3.771 3.179 5.631 81 2HB SER 16 1HB SER 16 2.508 3.725 4.530 82 HG SER 16 HG SER 16 2.504 3.787 7.174 83 H CYS 17 H CYS 17 0.415 0.514 5.999 84 HA CYS 17 HA CYS 17 -1.097 0.394 3.579 85 1HB CYS 17 2HB CYS 17 -1.314 -1.416 5.169 86 2HB CYS 17 1HB CYS 17 -1.868 -0.304 6.416 87 H THR 18 H THR 18 -1.397 2.509 2.942 88 HA THR 18 HA THR 18 -2.926 4.296 4.651 89 HB THR 18 HB THR 18 -2.112 4.736 1.765 90 HG1 THR 18 1HG THR 18 -0.624 4.727 4.079 91 1HG2 THR 18 1HG2 THR 18 -3.844 6.186 3.249 92 2HG2 THR 18 2HG2 THR 18 -2.807 6.886 2.005 93 3HG2 THR 18 3HG2 THR 18 -2.326 6.961 3.700 94 H TRP 19 H TRP 19 -4.436 2.473 4.698 95 HA TRP 19 HA TRP 19 -5.926 1.188 3.036 96 1HB TRP 19 2HB TRP 19 -6.305 1.610 5.545 97 2HB TRP 19 1HB TRP 19 -7.421 2.868 5.025 98 HD1 TRP 19 HD TRP 19 -6.909 -0.939 4.431 99 HE1 TRP 19 1HE TRP 19 -9.233 -2.026 4.215 100 HE3 TRP 19 3HE TRP 19 -9.802 3.268 4.762 101 HZ2 TRP 19 2HZ TRP 19 -11.934 -1.202 4.183 102 HZ3 TRP 19 3HZ TRP 19 -12.247 3.029 4.627 103 HH2 TRP 19 HH TRP 19 -13.289 0.840 4.343 104 HA PRO 20 HA PRO 20 -6.839 0.405 1.951 105 1HB PRO 20 2HB PRO 20 -8.100 -0.250 -0.304 106 2HB PRO 20 1HB PRO 20 -9.002 0.238 1.135 107 1HG PRO 20 2HG PRO 20 -8.558 1.708 -1.387 108 2HG PRO 20 1HG PRO 20 -9.847 1.897 -0.189 109 1HD PRO 20 2HD PRO 20 -7.397 3.429 -0.473 110 2HD PRO 20 1HD PRO 20 -8.756 3.708 0.636 111 H ILE 21 H ILE 21 -4.847 2.403 0.789 112 HA ILE 21 HA ILE 21 -3.726 0.587 -1.256 113 HB ILE 21 HB ILE 21 -3.606 3.609 -1.332 114 1HG1 ILE 21 2HG1 ILE 21 -5.026 1.657 -3.161 115 2HG1 ILE 21 1HG1 ILE 21 -5.813 2.670 -1.956 116 1HG2 ILE 21 1HG2 ILE 21 -2.405 1.507 -3.123 117 2HG2 ILE 21 2HG2 ILE 21 -1.567 2.769 -2.217 118 3HG2 ILE 21 3HG2 ILE 21 -2.582 3.198 -3.595 119 1HD1 ILE 21 1HD1 ILE 21 -5.772 3.382 -4.453 120 2HD1 ILE 21 2HD1 ILE 21 -4.142 3.940 -4.070 121 3HD1 ILE 21 3HD1 ILE 21 -5.526 4.585 -3.187 122 H CYS 22 H CYS 22 -1.623 0.037 -1.008 123 HA CYS 22 HA CYS 22 -0.292 0.830 1.411 124 1HB CYS 22 2HB CYS 22 0.733 -0.877 -0.862 125 2HB CYS 22 1HB CYS 22 1.421 -0.770 0.757 126 H THR 23 H THR 23 1.334 2.262 1.677 127 HA THR 23 HA THR 23 2.399 3.554 -0.761 128 HB THR 23 HB THR 23 2.645 5.630 0.608 129 HG1 THR 23 1HG THR 23 0.763 5.035 2.454 130 1HG2 THR 23 1HG2 THR 23 0.379 6.336 0.369 131 2HG2 THR 23 2HG2 THR 23 -0.221 4.684 0.513 132 3HG2 THR 23 3HG2 THR 23 0.686 5.170 -0.918 133 H ARG 24 H ARG 24 4.535 3.967 -0.891 134 HA ARG 24 HA ARG 24 6.270 2.779 1.138 135 1HB ARG 24 2HB ARG 24 6.577 3.511 -1.734 136 2HB ARG 24 1HB ARG 24 8.001 3.669 -0.720 137 1HG ARG 24 2HG ARG 24 6.407 1.174 -1.237 138 2HG ARG 24 1HG ARG 24 8.038 1.540 -1.798 139 1HD ARG 24 2HD ARG 24 7.094 0.874 0.968 140 2HD ARG 24 1HD ARG 24 8.367 0.112 0.018 141 HE ARG 24 HE ARG 24 8.899 2.871 0.698 142 1HH1 ARG 24 1HH1 ARG 24 9.266 -0.479 1.657 143 2HH1 ARG 24 2HH1 ARG 24 10.474 -0.131 2.849 144 1HH2 ARG 24 1HH2 ARG 24 10.448 3.348 2.270 145 2HH2 ARG 24 2HH2 ARG 24 11.156 2.059 3.203 146 H ASP 25 H ASP 25 6.594 4.142 2.746 147 HA ASP 25 HA ASP 25 7.080 6.002 3.938 148 1HB ASP 25 2HB ASP 25 8.561 7.029 1.516 149 2HB ASP 25 1HB ASP 25 8.920 7.322 3.212 150 H GLY 26 H GLY 26 4.645 5.990 2.464 151 1HA GLY 26 2HA GLY 26 2.966 7.668 2.602 152 2HA GLY 26 1HA GLY 26 4.204 8.886 2.357 153 H LEU 27 H LEU 27 5.171 6.984 0.051 154 HA LEU 27 HA LEU 27 3.443 8.251 -1.929 155 1HB LEU 27 2HB LEU 27 6.119 6.889 -2.169 156 2HB LEU 27 1HB LEU 27 5.208 7.482 -3.546 157 HG LEU 27 HG LEU 27 6.143 9.221 -1.274 158 1HD1 LEU 27 1HD1 LEU 27 7.636 10.038 -3.317 159 2HD1 LEU 27 2HD1 LEU 27 7.468 8.343 -3.774 160 3HD1 LEU 27 3HD1 LEU 27 8.164 8.771 -2.212 161 1HD2 LEU 27 1HD2 LEU 27 4.144 9.965 -2.583 162 2HD2 LEU 27 2HD2 LEU 27 5.173 9.999 -4.015 163 3HD2 LEU 27 3HD2 LEU 27 5.524 11.062 -2.651 164 HA PRO 28 HA PRO 28 1.362 4.353 -2.544 165 1HB PRO 28 2HB PRO 28 -0.137 5.112 -4.675 166 2HB PRO 28 1HB PRO 28 -0.508 5.596 -3.016 167 1HG PRO 28 2HG PRO 28 0.899 7.133 -5.168 168 2HG PRO 28 1HG PRO 28 -0.342 7.686 -4.027 169 1HD PRO 28 2HD PRO 28 2.299 8.185 -3.665 170 2HD PRO 28 1HD PRO 28 1.175 7.949 -2.311 171 H VAL 29 H VAL 29 4.037 4.682 -3.664 172 HA VAL 29 HA VAL 29 3.816 3.694 -6.395 173 HB VAL 29 HB VAL 29 6.292 3.766 -6.402 174 1HG1 VAL 29 1HG1 VAL 29 6.136 6.417 -5.594 175 2HG1 VAL 29 2HG1 VAL 29 4.494 6.011 -6.091 176 3HG1 VAL 29 3HG1 VAL 29 5.836 5.787 -7.214 177 1HG2 VAL 29 1HG2 VAL 29 7.382 4.976 -4.471 178 2HG2 VAL 29 2HG2 VAL 29 6.860 3.325 -4.141 179 3HG2 VAL 29 3HG2 VAL 29 5.901 4.686 -3.561 Start of MODEL 3 1 1H CYS 1 H CYS 1 3.309 2.095 -3.766 2 HA CYS 1 HA CYS 1 5.005 -0.199 -4.069 3 1HB CYS 1 2HB CYS 1 2.334 0.012 -2.669 4 2HB CYS 1 1HB CYS 1 3.558 -1.224 -2.432 5 H GLY 2 H GLY 2 2.058 0.989 -5.426 6 1HA GLY 2 2HA GLY 2 0.727 0.211 -7.125 7 2HA GLY 2 1HA GLY 2 2.031 -0.901 -7.517 8 H GLU 3 H GLU 3 0.269 -0.735 -4.472 9 HA GLU 3 HA GLU 3 -1.279 -3.095 -5.121 10 1HB GLU 3 2HB GLU 3 0.838 -4.049 -4.326 11 2HB GLU 3 1HB GLU 3 0.731 -3.088 -2.858 12 1HG GLU 3 2HG GLU 3 0.075 -5.418 -2.497 13 2HG GLU 3 1HG GLU 3 -1.244 -4.295 -2.163 14 H THR 4 H THR 4 -2.986 -3.465 -3.706 15 HA THR 4 HA THR 4 -3.674 -1.138 -2.040 16 HB THR 4 HB THR 4 -6.017 -1.947 -2.265 17 HG1 THR 4 1HG THR 4 -4.706 -4.028 -3.530 18 1HG2 THR 4 1HG2 THR 4 -5.793 -0.271 -3.771 19 2HG2 THR 4 2HG2 THR 4 -5.925 -1.582 -4.942 20 3HG2 THR 4 3HG2 THR 4 -4.338 -0.965 -4.485 21 H CYS 5 H CYS 5 -4.540 -1.472 0.040 22 HA CYS 5 HA CYS 5 -4.097 -4.174 1.094 23 1HB CYS 5 2HB CYS 5 -3.437 -3.201 3.225 24 2HB CYS 5 1HB CYS 5 -2.400 -2.625 1.928 25 H PHE 6 H PHE 6 -6.456 -3.864 0.077 26 HA PHE 6 HA PHE 6 -8.484 -2.678 1.569 27 1HB PHE 6 2HB PHE 6 -8.436 -5.072 -0.247 28 2HB PHE 6 1HB PHE 6 -9.907 -4.636 0.613 29 HD1 PHE 6 1HD PHE 6 -11.420 -3.591 -0.728 30 HD2 PHE 6 2HD PHE 6 -7.289 -2.727 -1.261 31 HE1 PHE 6 1HE PHE 6 -11.989 -1.985 -2.499 32 HE2 PHE 6 2HE PHE 6 -7.850 -1.116 -3.033 33 HZ PHE 6 HZ PHE 6 -10.204 -0.744 -3.655 34 H GLY 7 H GLY 7 -6.818 -5.736 2.027 35 1HA GLY 7 2HA GLY 7 -8.508 -6.283 4.371 36 2HA GLY 7 1HA GLY 7 -7.499 -7.465 3.547 37 H GLY 8 H GLY 8 -6.152 -4.342 4.069 38 1HA GLY 8 2HA GLY 8 -4.530 -3.569 5.499 39 2HA GLY 8 1HA GLY 8 -5.081 -4.763 6.665 40 H THR 9 H THR 9 -3.691 -5.133 3.422 41 HA THR 9 HA THR 9 -1.287 -6.271 4.564 42 HB THR 9 HB THR 9 -2.774 -8.209 4.449 43 HG1 THR 9 1HG THR 9 -1.127 -9.355 3.798 44 1HG2 THR 9 1HG2 THR 9 -4.318 -7.594 2.735 45 2HG2 THR 9 2HG2 THR 9 -3.481 -9.047 2.189 46 3HG2 THR 9 3HG2 THR 9 -3.031 -7.472 1.536 47 H CYS 10 H CYS 10 0.476 -6.112 3.231 48 HA CYS 10 HA CYS 10 0.032 -5.038 0.530 49 1HB CYS 10 2HB CYS 10 2.074 -4.062 2.540 50 2HB CYS 10 1HB CYS 10 1.937 -3.507 0.876 51 H ASN 11 H ASN 11 1.216 -5.990 -1.028 52 HA ASN 11 HA ASN 11 2.819 -8.262 -0.377 53 1HB ASN 11 2HB ASN 11 2.934 -8.680 -2.691 54 2HB ASN 11 1HB ASN 11 1.367 -7.910 -2.475 55 1HD2 ASN 11 1HD2 ASN 11 3.600 -8.085 -4.639 56 2HD2 ASN 11 2HD2 ASN 11 3.670 -6.463 -5.227 57 H THR 12 H THR 12 3.458 -4.936 -1.234 58 HA THR 12 HA THR 12 6.273 -5.332 -1.662 59 HB THR 12 HB THR 12 4.963 -2.674 -1.144 60 HG1 THR 12 1HG THR 12 4.157 -4.377 -2.988 61 1HG2 THR 12 1HG2 THR 12 6.674 -2.271 -3.162 62 2HG2 THR 12 2HG2 THR 12 7.455 -3.664 -2.415 63 3HG2 THR 12 3HG2 THR 12 7.170 -2.201 -1.471 64 HA PRO 13 HA PRO 13 7.259 -5.263 2.693 65 1HB PRO 13 2HB PRO 13 10.030 -4.926 1.771 66 2HB PRO 13 1HB PRO 13 9.310 -6.244 2.698 67 1HG PRO 13 2HG PRO 13 10.057 -6.552 0.134 68 2HG PRO 13 1HG PRO 13 8.645 -7.388 0.809 69 1HD PRO 13 2HD PRO 13 8.758 -4.939 -0.913 70 2HD PRO 13 1HD PRO 13 7.636 -6.315 -0.981 71 H GLY 14 H GLY 14 7.441 -3.648 4.132 72 1HA GLY 14 2HA GLY 14 8.230 -1.658 5.060 73 2HA GLY 14 1HA GLY 14 9.000 -1.277 3.530 74 H CYS 15 H CYS 15 6.022 -2.054 2.572 75 HA CYS 15 HA CYS 15 5.257 0.706 2.335 76 1HB CYS 15 2HB CYS 15 4.018 -1.857 1.354 77 2HB CYS 15 1HB CYS 15 3.261 -0.284 1.112 78 H SER 16 H SER 16 3.849 1.804 3.477 79 HA SER 16 HA SER 16 2.590 0.575 5.773 80 1HB SER 16 2HB SER 16 3.693 2.824 5.893 81 2HB SER 16 1HB SER 16 2.455 3.446 4.803 82 HG SER 16 HG SER 16 2.269 3.483 7.323 83 H CYS 17 H CYS 17 0.400 0.255 6.003 84 HA CYS 17 HA CYS 17 -1.089 0.203 3.541 85 1HB CYS 17 2HB CYS 17 -1.345 -1.726 4.920 86 2HB CYS 17 1HB CYS 17 -1.740 -0.746 6.330 87 H THR 18 H THR 18 -1.516 2.306 2.997 88 HA THR 18 HA THR 18 -3.020 3.971 4.859 89 HB THR 18 HB THR 18 -2.261 4.621 1.998 90 HG1 THR 18 1HG THR 18 -0.726 4.468 4.263 91 1HG2 THR 18 1HG2 THR 18 -2.898 6.427 4.338 92 2HG2 THR 18 2HG2 THR 18 -4.029 6.016 3.049 93 3HG2 THR 18 3HG2 THR 18 -2.566 6.929 2.680 94 H TRP 19 H TRP 19 -4.515 2.129 4.804 95 HA TRP 19 HA TRP 19 -6.007 0.953 3.055 96 1HB TRP 19 2HB TRP 19 -6.379 1.153 5.587 97 2HB TRP 19 1HB TRP 19 -7.490 2.460 5.190 98 HD1 TRP 19 HD TRP 19 -7.004 -1.269 4.219 99 HE1 TRP 19 1HE TRP 19 -9.334 -2.327 3.928 100 HE3 TRP 19 3HE TRP 19 -9.877 2.883 5.020 101 HZ2 TRP 19 2HZ TRP 19 -12.031 -1.500 4.018 102 HZ3 TRP 19 3HZ TRP 19 -12.325 2.665 4.894 103 HH2 TRP 19 HH TRP 19 -13.378 0.518 4.404 104 HA PRO 20 HA PRO 20 -6.878 0.259 1.903 105 1HB PRO 20 2HB PRO 20 -8.145 -0.231 -0.392 106 2HB PRO 20 1HB PRO 20 -9.044 0.117 1.090 107 1HG PRO 20 2HG PRO 20 -8.659 1.797 -1.306 108 2HG PRO 20 1HG PRO 20 -9.934 1.866 -0.079 109 1HD PRO 20 2HD PRO 20 -7.504 3.452 -0.265 110 2HD PRO 20 1HD PRO 20 -8.862 3.629 0.868 111 H ILE 21 H ILE 21 -4.988 2.449 0.844 112 HA ILE 21 HA ILE 21 -3.839 0.839 -1.356 113 HB ILE 21 HB ILE 21 -3.723 3.851 -1.103 114 1HG1 ILE 21 2HG1 ILE 21 -5.199 2.129 -3.109 115 2HG1 ILE 21 1HG1 ILE 21 -5.954 2.980 -1.766 116 1HG2 ILE 21 1HG2 ILE 21 -1.790 2.441 -2.194 117 2HG2 ILE 21 2HG2 ILE 21 -2.364 3.928 -2.949 118 3HG2 ILE 21 3HG2 ILE 21 -2.912 2.363 -3.553 119 1HD1 ILE 21 1HD1 ILE 21 -5.622 5.058 -2.738 120 2HD1 ILE 21 2HD1 ILE 21 -6.040 4.026 -4.107 121 3HD1 ILE 21 3HD1 ILE 21 -4.356 4.462 -3.813 122 H CYS 22 H CYS 22 -1.738 0.263 -1.160 123 HA CYS 22 HA CYS 22 -0.394 0.845 1.317 124 1HB CYS 22 2HB CYS 22 0.544 -0.719 -1.094 125 2HB CYS 22 1HB CYS 22 1.333 -0.689 0.480 126 H THR 23 H THR 23 1.267 2.205 1.689 127 HA THR 23 HA THR 23 2.411 3.638 -0.640 128 HB THR 23 HB THR 23 2.674 5.615 0.937 129 HG1 THR 23 1HG THR 23 0.558 4.957 2.506 130 1HG2 THR 23 1HG2 THR 23 1.019 5.971 -0.652 131 2HG2 THR 23 2HG2 THR 23 0.103 6.126 0.846 132 3HG2 THR 23 3HG2 THR 23 0.029 4.628 -0.082 133 H ARG 24 H ARG 24 4.559 3.805 -0.712 134 HA ARG 24 HA ARG 24 6.080 2.916 1.647 135 1HB ARG 24 2HB ARG 24 6.324 1.769 -0.738 136 2HB ARG 24 1HB ARG 24 7.341 3.169 -1.058 137 1HG ARG 24 2HG ARG 24 8.369 2.402 1.297 138 2HG ARG 24 1HG ARG 24 7.814 0.841 0.690 139 1HD ARG 24 2HD ARG 24 10.004 1.019 -0.099 140 2HD ARG 24 1HD ARG 24 9.006 1.473 -1.483 141 HE ARG 24 HE ARG 24 9.861 3.691 0.174 142 1HH1 ARG 24 1HH1 ARG 24 10.618 1.667 -2.587 143 2HH1 ARG 24 2HH1 ARG 24 11.721 2.804 -3.283 144 1HH2 ARG 24 1HH2 ARG 24 11.304 5.194 -0.719 145 2HH2 ARG 24 2HH2 ARG 24 12.113 4.823 -2.219 146 H ASP 25 H ASP 25 7.048 4.495 2.683 147 HA ASP 25 HA ASP 25 7.933 6.502 3.231 148 1HB ASP 25 2HB ASP 25 8.397 7.036 0.290 149 2HB ASP 25 1HB ASP 25 9.238 7.759 1.649 150 H GLY 26 H GLY 26 5.129 6.090 2.416 151 1HA GLY 26 2HA GLY 26 3.287 7.500 2.643 152 2HA GLY 26 1HA GLY 26 4.352 8.883 2.435 153 H LEU 27 H LEU 27 5.135 6.829 0.018 154 HA LEU 27 HA LEU 27 3.327 8.185 -1.843 155 1HB LEU 27 2HB LEU 27 6.050 6.962 -2.276 156 2HB LEU 27 1HB LEU 27 5.046 7.598 -3.565 157 HG LEU 27 HG LEU 27 5.994 9.266 -1.247 158 1HD1 LEU 27 1HD1 LEU 27 7.189 9.438 -3.974 159 2HD1 LEU 27 2HD1 LEU 27 7.774 8.216 -2.845 160 3HD1 LEU 27 3HD1 LEU 27 7.862 9.925 -2.419 161 1HD2 LEU 27 1HD2 LEU 27 3.989 9.753 -3.008 162 2HD2 LEU 27 2HD2 LEU 27 5.363 10.473 -3.846 163 3HD2 LEU 27 3HD2 LEU 27 4.949 11.003 -2.216 164 HA PRO 28 HA PRO 28 1.477 4.196 -2.528 165 1HB PRO 28 2HB PRO 28 -0.070 4.860 -4.645 166 2HB PRO 28 1HB PRO 28 -0.446 5.378 -2.997 167 1HG PRO 28 2HG PRO 28 0.891 6.903 -5.202 168 2HG PRO 28 1HG PRO 28 -0.363 7.442 -4.071 169 1HD PRO 28 2HD PRO 28 2.271 8.032 -3.743 170 2HD PRO 28 1HD PRO 28 1.152 7.829 -2.381 171 H VAL 29 H VAL 29 4.121 4.606 -3.581 172 HA VAL 29 HA VAL 29 4.066 3.785 -6.356 173 HB VAL 29 HB VAL 29 6.532 3.752 -6.182 174 1HG1 VAL 29 1HG1 VAL 29 6.301 5.876 -6.786 175 2HG1 VAL 29 2HG1 VAL 29 6.338 6.331 -5.083 176 3HG1 VAL 29 3HG1 VAL 29 4.797 6.010 -5.876 177 1HG2 VAL 29 1HG2 VAL 29 7.588 4.622 -4.116 178 2HG2 VAL 29 2HG2 VAL 29 6.804 3.061 -3.883 179 3HG2 VAL 29 3HG2 VAL 29 6.022 4.535 -3.312 Start of MODEL 4 1 1H CYS 1 H CYS 1 3.297 2.297 -3.921 2 HA CYS 1 HA CYS 1 5.151 0.141 -4.313 3 1HB CYS 1 2HB CYS 1 2.604 0.335 -2.691 4 2HB CYS 1 1HB CYS 1 3.680 -1.051 -2.690 5 H GLY 2 H GLY 2 2.095 1.133 -5.560 6 1HA GLY 2 2HA GLY 2 0.771 0.278 -7.230 7 2HA GLY 2 1HA GLY 2 2.110 -0.791 -7.630 8 H GLU 3 H GLU 3 0.410 -0.604 -4.560 9 HA GLU 3 HA GLU 3 -1.029 -3.069 -5.078 10 1HB GLU 3 2HB GLU 3 1.092 -3.926 -4.326 11 2HB GLU 3 1HB GLU 3 1.134 -2.790 -2.986 12 1HG GLU 3 2HG GLU 3 -0.762 -3.924 -1.957 13 2HG GLU 3 1HG GLU 3 -0.816 -5.059 -3.308 14 H THR 4 H THR 4 -2.835 -3.284 -3.786 15 HA THR 4 HA THR 4 -3.347 -1.028 -1.978 16 HB THR 4 HB THR 4 -5.779 -1.599 -2.347 17 HG1 THR 4 1HG THR 4 -5.778 -2.643 -4.689 18 1HG2 THR 4 1HG2 THR 4 -5.943 -0.277 -4.323 19 2HG2 THR 4 2HG2 THR 4 -4.334 -0.758 -4.858 20 3HG2 THR 4 3HG2 THR 4 -4.519 0.290 -3.450 21 H CYS 5 H CYS 5 -4.213 -1.408 0.026 22 HA CYS 5 HA CYS 5 -4.160 -4.203 0.904 23 1HB CYS 5 2HB CYS 5 -3.583 -3.361 3.140 24 2HB CYS 5 1HB CYS 5 -2.385 -2.918 1.931 25 H PHE 6 H PHE 6 -6.422 -3.859 -0.120 26 HA PHE 6 HA PHE 6 -8.431 -2.482 1.240 27 1HB PHE 6 2HB PHE 6 -8.436 -4.904 -0.531 28 2HB PHE 6 1HB PHE 6 -9.918 -4.413 0.284 29 HD1 PHE 6 1HD PHE 6 -11.338 -3.440 -1.217 30 HD2 PHE 6 2HD PHE 6 -7.196 -2.487 -1.410 31 HE1 PHE 6 1HE PHE 6 -11.798 -1.819 -3.009 32 HE2 PHE 6 2HE PHE 6 -7.649 -0.864 -3.201 33 HZ PHE 6 HZ PHE 6 -9.952 -0.527 -4.003 34 H GLY 7 H GLY 7 -6.899 -5.558 1.918 35 1HA GLY 7 2HA GLY 7 -8.773 -6.018 4.134 36 2HA GLY 7 1HA GLY 7 -7.662 -7.208 3.468 37 H GLY 8 H GLY 8 -6.312 -4.114 3.843 38 1HA GLY 8 2HA GLY 8 -4.841 -3.213 5.365 39 2HA GLY 8 1HA GLY 8 -5.536 -4.277 6.579 40 H THR 9 H THR 9 -3.891 -5.068 3.541 41 HA THR 9 HA THR 9 -1.592 -6.032 4.991 42 HB THR 9 HB THR 9 -3.139 -7.946 5.098 43 HG1 THR 9 1HG THR 9 -1.452 -9.190 4.849 44 1HG2 THR 9 1HG2 THR 9 -4.539 -8.112 3.335 45 2HG2 THR 9 2HG2 THR 9 -3.242 -9.089 2.647 46 3HG2 THR 9 3HG2 THR 9 -3.386 -7.385 2.216 47 H CYS 10 H CYS 10 0.251 -6.150 3.743 48 HA CYS 10 HA CYS 10 -0.014 -5.595 0.873 49 1HB CYS 10 2HB CYS 10 1.930 -4.165 2.702 50 2HB CYS 10 1HB CYS 10 1.730 -3.905 0.973 51 H ASN 11 H ASN 11 1.312 -6.781 -0.353 52 HA ASN 11 HA ASN 11 3.086 -8.681 0.929 53 1HB ASN 11 2HB ASN 11 1.715 -9.483 -0.896 54 2HB ASN 11 1HB ASN 11 2.314 -8.217 -1.961 55 1HD2 ASN 11 1HD2 ASN 11 3.824 -8.796 -3.320 56 2HD2 ASN 11 2HD2 ASN 11 4.913 -10.125 -3.134 57 H THR 12 H THR 12 3.251 -5.760 -0.977 58 HA THR 12 HA THR 12 5.994 -5.883 -1.660 59 HB THR 12 HB THR 12 4.444 -3.331 -1.254 60 HG1 THR 12 1HG THR 12 3.089 -4.584 -2.499 61 1HG2 THR 12 1HG2 THR 12 5.843 -3.073 -3.558 62 2HG2 THR 12 2HG2 THR 12 6.903 -4.157 -2.659 63 3HG2 THR 12 3HG2 THR 12 6.460 -2.592 -1.978 64 HA PRO 13 HA PRO 13 7.623 -5.208 2.443 65 1HB PRO 13 2HB PRO 13 10.173 -4.865 1.002 66 2HB PRO 13 1HB PRO 13 9.732 -6.041 2.243 67 1HG PRO 13 2HG PRO 13 10.041 -6.760 -0.321 68 2HG PRO 13 1HG PRO 13 8.812 -7.509 0.716 69 1HD PRO 13 2HD PRO 13 8.493 -5.385 -1.372 70 2HD PRO 13 1HD PRO 13 7.458 -6.786 -1.021 71 H GLY 14 H GLY 14 8.087 -3.492 3.650 72 1HA GLY 14 2HA GLY 14 8.622 -1.349 4.265 73 2HA GLY 14 1HA GLY 14 9.388 -1.148 2.699 74 H CYS 15 H CYS 15 6.036 -2.089 2.903 75 HA CYS 15 HA CYS 15 5.328 0.627 2.050 76 1HB CYS 15 2HB CYS 15 4.195 -2.027 1.170 77 2HB CYS 15 1HB CYS 15 3.429 -0.485 0.818 78 H SER 16 H SER 16 4.067 1.691 3.365 79 HA SER 16 HA SER 16 2.816 0.388 5.614 80 1HB SER 16 2HB SER 16 3.960 2.606 5.805 81 2HB SER 16 1HB SER 16 2.713 3.300 4.770 82 HG SER 16 HG SER 16 2.579 3.243 7.289 83 H CYS 17 H CYS 17 0.673 -0.037 5.833 84 HA CYS 17 HA CYS 17 -0.916 0.054 3.457 85 1HB CYS 17 2HB CYS 17 -1.155 -1.882 4.846 86 2HB CYS 17 1HB CYS 17 -1.535 -0.899 6.256 87 H THR 18 H THR 18 -1.232 2.207 2.996 88 HA THR 18 HA THR 18 -2.671 3.862 4.909 89 HB THR 18 HB THR 18 -1.933 4.549 2.052 90 HG1 THR 18 1HG THR 18 -0.375 4.298 4.304 91 1HG2 THR 18 1HG2 THR 18 -1.963 6.885 3.032 92 2HG2 THR 18 2HG2 THR 18 -2.708 6.183 4.468 93 3HG2 THR 18 3HG2 THR 18 -3.534 6.092 2.913 94 H TRP 19 H TRP 19 -4.228 2.077 4.844 95 HA TRP 19 HA TRP 19 -5.780 0.979 3.095 96 1HB TRP 19 2HB TRP 19 -6.112 1.100 5.621 97 2HB TRP 19 1HB TRP 19 -7.150 2.488 5.309 98 HD1 TRP 19 HD TRP 19 -6.920 -1.200 4.097 99 HE1 TRP 19 1HE TRP 19 -9.317 -2.106 3.850 100 HE3 TRP 19 3HE TRP 19 -9.508 3.035 5.325 101 HZ2 TRP 19 2HZ TRP 19 -11.957 -1.143 4.133 102 HZ3 TRP 19 3HZ TRP 19 -11.967 2.959 5.309 103 HH2 TRP 19 HH TRP 19 -13.165 0.913 4.725 104 HA PRO 20 HA PRO 20 -6.739 0.324 1.972 105 1HB PRO 20 2HB PRO 20 -8.056 -0.089 -0.306 106 2HB PRO 20 1HB PRO 20 -8.920 0.287 1.188 107 1HG PRO 20 2HG PRO 20 -8.473 1.975 -1.194 108 2HG PRO 20 1HG PRO 20 -9.748 2.075 0.029 109 1HD PRO 20 2HD PRO 20 -7.280 3.584 -0.136 110 2HD PRO 20 1HD PRO 20 -8.614 3.769 1.022 111 H ILE 21 H ILE 21 -4.700 2.353 0.988 112 HA ILE 21 HA ILE 21 -3.675 0.730 -1.261 113 HB ILE 21 HB ILE 21 -3.417 3.734 -1.028 114 1HG1 ILE 21 2HG1 ILE 21 -5.031 2.085 -2.989 115 2HG1 ILE 21 1HG1 ILE 21 -5.705 2.988 -1.636 116 1HG2 ILE 21 1HG2 ILE 21 -1.480 2.915 -2.104 117 2HG2 ILE 21 2HG2 ILE 21 -2.544 3.479 -3.392 118 3HG2 ILE 21 3HG2 ILE 21 -2.407 1.754 -3.054 119 1HD1 ILE 21 1HD1 ILE 21 -4.545 3.986 -4.192 120 2HD1 ILE 21 2HD1 ILE 21 -4.526 5.014 -2.759 121 3HD1 ILE 21 3HD1 ILE 21 -6.059 4.416 -3.396 122 H CYS 22 H CYS 22 -1.593 0.070 -1.085 123 HA CYS 22 HA CYS 22 -0.170 0.651 1.348 124 1HB CYS 22 2HB CYS 22 0.788 -0.915 -1.057 125 2HB CYS 22 1HB CYS 22 1.443 -0.979 0.577 126 H THR 23 H THR 23 1.350 2.177 1.640 127 HA THR 23 HA THR 23 2.412 3.512 -0.779 128 HB THR 23 HB THR 23 2.584 5.581 0.538 129 HG1 THR 23 1HG THR 23 0.911 4.856 2.564 130 1HG2 THR 23 1HG2 THR 23 0.458 4.821 -0.747 131 2HG2 THR 23 2HG2 THR 23 0.352 6.207 0.339 132 3HG2 THR 23 3HG2 THR 23 -0.243 4.630 0.860 133 H ARG 24 H ARG 24 4.510 4.167 -0.822 134 HA ARG 24 HA ARG 24 6.330 2.806 1.011 135 1HB ARG 24 2HB ARG 24 6.729 2.516 -1.395 136 2HB ARG 24 1HB ARG 24 6.807 4.257 -1.609 137 1HG ARG 24 2HG ARG 24 9.021 3.269 -1.639 138 2HG ARG 24 1HG ARG 24 8.831 4.345 -0.253 139 1HD ARG 24 2HD ARG 24 10.000 2.266 0.335 140 2HD ARG 24 1HD ARG 24 8.484 2.450 1.212 141 HE ARG 24 HE ARG 24 7.798 0.498 0.290 142 1HH1 ARG 24 1HH1 ARG 24 10.270 1.823 -1.809 143 2HH1 ARG 24 2HH1 ARG 24 10.244 0.480 -2.900 144 1HH2 ARG 24 1HH2 ARG 24 7.772 -1.279 -1.134 145 2HH2 ARG 24 2HH2 ARG 24 8.816 -1.290 -2.518 146 H ASP 25 H ASP 25 5.812 4.195 2.745 147 HA ASP 25 HA ASP 25 6.178 5.905 4.174 148 1HB ASP 25 2HB ASP 25 8.563 5.629 3.289 149 2HB ASP 25 1HB ASP 25 8.225 7.009 2.249 150 H GLY 26 H GLY 26 4.006 6.141 2.688 151 1HA GLY 26 2HA GLY 26 2.471 7.929 2.545 152 2HA GLY 26 1HA GLY 26 3.816 9.033 2.320 153 H LEU 27 H LEU 27 4.961 7.223 0.189 154 HA LEU 27 HA LEU 27 3.340 8.326 -1.954 155 1HB LEU 27 2HB LEU 27 6.051 7.019 -1.934 156 2HB LEU 27 1HB LEU 27 5.237 7.526 -3.403 157 HG LEU 27 HG LEU 27 5.933 9.390 -1.149 158 1HD1 LEU 27 1HD1 LEU 27 8.040 9.285 -1.859 159 2HD1 LEU 27 2HD1 LEU 27 7.489 10.004 -3.372 160 3HD1 LEU 27 3HD1 LEU 27 7.593 8.250 -3.215 161 1HD2 LEU 27 1HD2 LEU 27 5.135 9.959 -3.996 162 2HD2 LEU 27 2HD2 LEU 27 5.444 11.143 -2.727 163 3HD2 LEU 27 3HD2 LEU 27 4.054 10.064 -2.607 164 HA PRO 28 HA PRO 28 1.434 4.312 -2.522 165 1HB PRO 28 2HB PRO 28 -0.218 5.053 -4.532 166 2HB PRO 28 1HB PRO 28 -0.527 5.474 -2.844 167 1HG PRO 28 2HG PRO 28 0.670 7.143 -5.023 168 2HG PRO 28 1HG PRO 28 -0.530 7.596 -3.799 169 1HD PRO 28 2HD PRO 28 2.110 8.215 -3.582 170 2HD PRO 28 1HD PRO 28 1.067 7.926 -2.175 171 H VAL 29 H VAL 29 4.020 4.824 -3.681 172 HA VAL 29 HA VAL 29 3.808 4.063 -6.480 173 HB VAL 29 HB VAL 29 6.275 4.206 -6.500 174 1HG1 VAL 29 1HG1 VAL 29 4.487 6.232 -6.501 175 2HG1 VAL 29 2HG1 VAL 29 6.215 6.438 -6.791 176 3HG1 VAL 29 3HG1 VAL 29 5.548 6.737 -5.186 177 1HG2 VAL 29 1HG2 VAL 29 6.551 3.535 -4.094 178 2HG2 VAL 29 2HG2 VAL 29 6.061 5.171 -3.653 179 3HG2 VAL 29 3HG2 VAL 29 7.526 4.915 -4.599 Start of MODEL 5 1 1H CYS 1 H CYS 1 3.149 2.279 -4.100 2 HA CYS 1 HA CYS 1 5.049 0.107 -4.207 3 1HB CYS 1 2HB CYS 1 2.437 0.480 -2.740 4 2HB CYS 1 1HB CYS 1 3.369 -1.006 -2.683 5 H GLY 2 H GLY 2 2.034 1.053 -5.617 6 1HA GLY 2 2HA GLY 2 0.794 0.138 -7.322 7 2HA GLY 2 1HA GLY 2 2.157 -0.930 -7.635 8 H GLU 3 H GLU 3 0.425 -0.700 -4.597 9 HA GLU 3 HA GLU 3 -1.045 -3.151 -5.093 10 1HB GLU 3 2HB GLU 3 1.065 -4.034 -4.338 11 2HB GLU 3 1HB GLU 3 1.127 -2.889 -3.007 12 1HG GLU 3 2HG GLU 3 -0.799 -3.988 -1.979 13 2HG GLU 3 1HG GLU 3 -0.844 -5.143 -3.311 14 H THR 4 H THR 4 -2.842 -3.344 -3.773 15 HA THR 4 HA THR 4 -3.324 -1.059 -1.994 16 HB THR 4 HB THR 4 -5.764 -1.608 -2.348 17 HG1 THR 4 1HG THR 4 -5.784 -2.675 -4.675 18 1HG2 THR 4 1HG2 THR 4 -5.703 -0.634 -4.756 19 2HG2 THR 4 2HG2 THR 4 -3.961 -0.549 -4.497 20 3HG2 THR 4 3HG2 THR 4 -5.055 0.327 -3.427 21 H CYS 5 H CYS 5 -4.210 -1.401 0.011 22 HA CYS 5 HA CYS 5 -4.198 -4.184 0.933 23 1HB CYS 5 2HB CYS 5 -3.595 -3.312 3.158 24 2HB CYS 5 1HB CYS 5 -2.386 -2.941 1.938 25 H PHE 6 H PHE 6 -6.454 -3.856 -0.059 26 HA PHE 6 HA PHE 6 -8.435 -2.396 1.257 27 1HB PHE 6 2HB PHE 6 -8.489 -4.899 -0.398 28 2HB PHE 6 1HB PHE 6 -9.956 -4.341 0.397 29 HD1 PHE 6 1HD PHE 6 -11.361 -3.448 -1.171 30 HD2 PHE 6 2HD PHE 6 -7.213 -2.524 -1.377 31 HE1 PHE 6 1HE PHE 6 -11.801 -1.911 -3.040 32 HE2 PHE 6 2HE PHE 6 -7.646 -0.984 -3.245 33 HZ PHE 6 HZ PHE 6 -9.942 -0.675 -4.079 34 H GLY 7 H GLY 7 -6.986 -5.501 2.002 35 1HA GLY 7 2HA GLY 7 -8.784 -5.794 4.308 36 2HA GLY 7 1HA GLY 7 -7.766 -7.062 3.636 37 H GLY 8 H GLY 8 -6.316 -3.972 3.909 38 1HA GLY 8 2HA GLY 8 -4.717 -3.116 5.322 39 2HA GLY 8 1HA GLY 8 -5.401 -4.123 6.593 40 H THR 9 H THR 9 -3.954 -5.065 3.509 41 HA THR 9 HA THR 9 -1.680 -6.214 4.918 42 HB THR 9 HB THR 9 -2.406 -8.168 3.034 43 HG1 THR 9 1HG THR 9 -4.610 -7.520 4.732 44 1HG2 THR 9 1HG2 THR 9 -1.601 -8.013 5.686 45 2HG2 THR 9 2HG2 THR 9 -1.874 -9.488 4.759 46 3HG2 THR 9 3HG2 THR 9 -3.167 -8.822 5.758 47 H CYS 10 H CYS 10 0.179 -6.163 3.755 48 HA CYS 10 HA CYS 10 0.012 -5.558 0.887 49 1HB CYS 10 2HB CYS 10 1.902 -4.201 2.828 50 2HB CYS 10 1HB CYS 10 1.807 -3.915 1.096 51 H ASN 11 H ASN 11 1.305 -6.791 -0.315 52 HA ASN 11 HA ASN 11 3.058 -8.700 1.001 53 1HB ASN 11 2HB ASN 11 1.631 -9.509 -0.796 54 2HB ASN 11 1HB ASN 11 2.284 -8.306 -1.902 55 1HD2 ASN 11 1HD2 ASN 11 3.773 -9.000 -3.233 56 2HD2 ASN 11 2HD2 ASN 11 4.811 -10.359 -2.989 57 H THR 12 H THR 12 3.218 -5.826 -0.963 58 HA THR 12 HA THR 12 5.944 -5.986 -1.701 59 HB THR 12 HB THR 12 4.414 -3.417 -1.309 60 HG1 THR 12 1HG THR 12 3.033 -4.680 -2.509 61 1HG2 THR 12 1HG2 THR 12 6.839 -3.350 -1.932 62 2HG2 THR 12 2HG2 THR 12 5.769 -2.611 -3.122 63 3HG2 THR 12 3HG2 THR 12 6.429 -4.221 -3.409 64 HA PRO 13 HA PRO 13 7.686 -5.196 2.330 65 1HB PRO 13 2HB PRO 13 10.272 -4.955 1.487 66 2HB PRO 13 1HB PRO 13 9.460 -6.506 1.726 67 1HG PRO 13 2HG PRO 13 9.927 -4.981 -0.804 68 2HG PRO 13 1HG PRO 13 10.069 -6.723 -0.502 69 1HD PRO 13 2HD PRO 13 7.918 -5.644 -1.727 70 2HD PRO 13 1HD PRO 13 7.794 -7.067 -0.673 71 H GLY 14 H GLY 14 8.166 -3.444 3.486 72 1HA GLY 14 2HA GLY 14 8.712 -1.281 4.029 73 2HA GLY 14 1HA GLY 14 9.410 -1.108 2.427 74 H CYS 15 H CYS 15 6.089 -2.095 2.852 75 HA CYS 15 HA CYS 15 5.273 0.563 1.921 76 1HB CYS 15 2HB CYS 15 4.208 -2.158 1.183 77 2HB CYS 15 1HB CYS 15 3.333 -0.671 0.849 78 H SER 16 H SER 16 4.166 1.641 3.360 79 HA SER 16 HA SER 16 2.904 0.344 5.606 80 1HB SER 16 2HB SER 16 2.244 2.782 6.116 81 2HB SER 16 1HB SER 16 3.966 2.401 6.132 82 HG SER 16 HG SER 16 2.630 3.420 3.843 83 H CYS 17 H CYS 17 0.768 -0.114 5.777 84 HA CYS 17 HA CYS 17 -0.829 0.083 3.431 85 1HB CYS 17 2HB CYS 17 -1.119 -1.857 4.803 86 2HB CYS 17 1HB CYS 17 -1.473 -0.874 6.221 87 H THR 18 H THR 18 -1.269 2.150 2.901 88 HA THR 18 HA THR 18 -2.598 3.874 4.846 89 HB THR 18 HB THR 18 -1.917 4.513 1.963 90 HG1 THR 18 1HG THR 18 -0.378 4.655 4.331 91 1HG2 THR 18 1HG2 THR 18 -2.128 6.821 2.645 92 2HG2 THR 18 2HG2 THR 18 -2.375 6.343 4.324 93 3HG2 THR 18 3HG2 THR 18 -3.596 5.961 3.110 94 H TRP 19 H TRP 19 -4.160 2.092 4.834 95 HA TRP 19 HA TRP 19 -5.756 0.969 3.153 96 1HB TRP 19 2HB TRP 19 -6.047 1.158 5.676 97 2HB TRP 19 1HB TRP 19 -7.063 2.558 5.351 98 HD1 TRP 19 HD TRP 19 -6.935 -1.123 4.092 99 HE1 TRP 19 1HE TRP 19 -9.351 -2.002 3.968 100 HE3 TRP 19 3HE TRP 19 -9.402 3.098 5.590 101 HZ2 TRP 19 2HZ TRP 19 -11.959 -1.026 4.441 102 HZ3 TRP 19 3HZ TRP 19 -11.858 3.041 5.725 103 HH2 TRP 19 HH TRP 19 -13.108 1.021 5.161 104 HA PRO 20 HA PRO 20 -6.687 0.301 2.024 105 1HB PRO 20 2HB PRO 20 -8.031 -0.149 -0.235 106 2HB PRO 20 1HB PRO 20 -8.877 0.234 1.269 107 1HG PRO 20 2HG PRO 20 -8.496 1.895 -1.140 108 2HG PRO 20 1HG PRO 20 -9.734 2.011 0.118 109 1HD PRO 20 2HD PRO 20 -7.257 3.509 -0.137 110 2HD PRO 20 1HD PRO 20 -8.575 3.735 1.032 111 H ILE 21 H ILE 21 -4.654 2.300 1.010 112 HA ILE 21 HA ILE 21 -3.664 0.672 -1.251 113 HB ILE 21 HB ILE 21 -3.401 3.678 -1.024 114 1HG1 ILE 21 2HG1 ILE 21 -5.019 2.024 -2.979 115 2HG1 ILE 21 1HG1 ILE 21 -5.691 2.920 -1.620 116 1HG2 ILE 21 1HG2 ILE 21 -1.956 3.657 -2.748 117 2HG2 ILE 21 2HG2 ILE 21 -2.785 2.331 -3.562 118 3HG2 ILE 21 3HG2 ILE 21 -1.664 1.993 -2.244 119 1HD1 ILE 21 1HD1 ILE 21 -5.182 3.820 -4.247 120 2HD1 ILE 21 2HD1 ILE 21 -4.105 4.699 -3.161 121 3HD1 ILE 21 3HD1 ILE 21 -5.847 4.721 -2.884 122 H CYS 22 H CYS 22 -1.576 0.009 -1.098 123 HA CYS 22 HA CYS 22 -0.124 0.597 1.317 124 1HB CYS 22 2HB CYS 22 0.789 -0.991 -1.092 125 2HB CYS 22 1HB CYS 22 1.483 -1.037 0.527 126 H THR 23 H THR 23 1.509 2.041 1.573 127 HA THR 23 HA THR 23 2.570 3.339 -0.865 128 HB THR 23 HB THR 23 2.612 5.485 0.333 129 HG1 THR 23 1HG THR 23 0.874 4.804 2.328 130 1HG2 THR 23 1HG2 THR 23 0.051 4.032 -0.122 131 2HG2 THR 23 2HG2 THR 23 0.701 5.454 -0.936 132 3HG2 THR 23 3HG2 THR 23 -0.014 5.608 0.669 133 H ARG 24 H ARG 24 4.633 4.283 -0.696 134 HA ARG 24 HA ARG 24 6.437 2.925 1.156 135 1HB ARG 24 2HB ARG 24 6.918 4.694 -1.258 136 2HB ARG 24 1HB ARG 24 8.208 4.052 -0.253 137 1HG ARG 24 2HG ARG 24 6.215 2.291 -1.640 138 2HG ARG 24 1HG ARG 24 7.716 2.825 -2.401 139 1HD ARG 24 2HD ARG 24 9.013 1.785 -0.638 140 2HD ARG 24 1HD ARG 24 7.538 1.322 0.207 141 HE ARG 24 HE ARG 24 7.425 -0.504 -1.128 142 1HH1 ARG 24 1HH1 ARG 24 9.384 1.886 -2.782 143 2HH1 ARG 24 2HH1 ARG 24 9.678 0.880 -4.159 144 1HH2 ARG 24 1HH2 ARG 24 7.820 -1.835 -2.936 145 2HH2 ARG 24 2HH2 ARG 24 8.786 -1.245 -4.247 146 H ASP 25 H ASP 25 5.303 4.233 2.865 147 HA ASP 25 HA ASP 25 5.362 5.844 4.457 148 1HB ASP 25 2HB ASP 25 7.882 5.609 4.120 149 2HB ASP 25 1HB ASP 25 7.780 7.028 3.087 150 H GLY 26 H GLY 26 3.536 6.190 2.652 151 1HA GLY 26 2HA GLY 26 2.097 8.054 2.310 152 2HA GLY 26 1HA GLY 26 3.509 9.094 2.238 153 H LEU 27 H LEU 27 4.918 7.268 0.376 154 HA LEU 27 HA LEU 27 3.764 8.339 -2.041 155 1HB LEU 27 2HB LEU 27 6.215 6.667 -1.538 156 2HB LEU 27 1HB LEU 27 5.730 7.217 -3.131 157 HG LEU 27 HG LEU 27 6.281 9.084 -0.844 158 1HD1 LEU 27 1HD1 LEU 27 8.116 7.983 -2.951 159 2HD1 LEU 27 2HD1 LEU 27 8.354 8.035 -1.205 160 3HD1 LEU 27 3HD1 LEU 27 8.425 9.523 -2.149 161 1HD2 LEU 27 1HD2 LEU 27 5.760 10.746 -2.237 162 2HD2 LEU 27 2HD2 LEU 27 4.995 9.508 -3.233 163 3HD2 LEU 27 3HD2 LEU 27 6.649 10.017 -3.574 164 HA PRO 28 HA PRO 28 1.441 4.540 -2.691 165 1HB PRO 28 2HB PRO 28 0.298 5.917 -4.987 166 2HB PRO 28 1HB PRO 28 -0.490 5.410 -3.493 167 1HG PRO 28 2HG PRO 28 -0.061 8.016 -4.124 168 2HG PRO 28 1HG PRO 28 -0.110 7.421 -2.456 169 1HD PRO 28 2HD PRO 28 2.264 8.057 -4.172 170 2HD PRO 28 1HD PRO 28 1.993 8.413 -2.452 171 H VAL 29 H VAL 29 4.136 4.791 -3.707 172 HA VAL 29 HA VAL 29 3.903 3.949 -6.497 173 HB VAL 29 HB VAL 29 6.382 4.053 -6.535 174 1HG1 VAL 29 1HG1 VAL 29 6.021 6.118 -7.261 175 2HG1 VAL 29 2HG1 VAL 29 6.063 6.701 -5.597 176 3HG1 VAL 29 3HG1 VAL 29 4.532 6.207 -6.320 177 1HG2 VAL 29 1HG2 VAL 29 5.959 4.624 -3.647 178 2HG2 VAL 29 2HG2 VAL 29 7.273 5.456 -4.477 179 3HG2 VAL 29 3HG2 VAL 29 7.228 3.694 -4.442 Start of MODEL 6 1 1H CYS 1 H CYS 1 3.298 2.478 -3.928 2 HA CYS 1 HA CYS 1 5.053 0.224 -4.194 3 1HB CYS 1 2HB CYS 1 2.580 0.756 -2.554 4 2HB CYS 1 1HB CYS 1 3.350 -0.820 -2.588 5 H GLY 2 H GLY 2 1.990 1.248 -5.450 6 1HA GLY 2 2HA GLY 2 0.541 0.301 -6.966 7 2HA GLY 2 1HA GLY 2 1.902 -0.694 -7.474 8 H GLU 3 H GLU 3 0.466 -0.574 -4.285 9 HA GLU 3 HA GLU 3 -0.688 -3.236 -4.643 10 1HB GLU 3 2HB GLU 3 1.487 -3.666 -3.733 11 2HB GLU 3 1HB GLU 3 1.308 -2.389 -2.544 12 1HG GLU 3 2HG GLU 3 1.078 -4.490 -1.456 13 2HG GLU 3 1HG GLU 3 -0.491 -3.691 -1.474 14 H THR 4 H THR 4 -2.447 -3.664 -3.351 15 HA THR 4 HA THR 4 -3.531 -1.336 -1.906 16 HB THR 4 HB THR 4 -5.751 -2.310 -2.258 17 HG1 THR 4 1HG THR 4 -4.218 -4.433 -3.216 18 1HG2 THR 4 1HG2 THR 4 -4.648 -0.776 -3.950 19 2HG2 THR 4 2HG2 THR 4 -5.981 -1.762 -4.551 20 3HG2 THR 4 3HG2 THR 4 -4.315 -2.222 -4.904 21 H CYS 5 H CYS 5 -4.607 -1.668 0.094 22 HA CYS 5 HA CYS 5 -4.104 -4.262 1.348 23 1HB CYS 5 2HB CYS 5 -3.452 -3.120 3.441 24 2HB CYS 5 1HB CYS 5 -2.330 -2.819 2.123 25 H PHE 6 H PHE 6 -6.487 -4.057 0.449 26 HA PHE 6 HA PHE 6 -8.442 -2.599 1.780 27 1HB PHE 6 2HB PHE 6 -8.523 -5.330 0.503 28 2HB PHE 6 1HB PHE 6 -9.954 -4.605 1.226 29 HD1 PHE 6 1HD PHE 6 -7.214 -3.345 -0.995 30 HD2 PHE 6 2HD PHE 6 -11.395 -3.804 -0.347 31 HE1 PHE 6 1HE PHE 6 -7.668 -2.131 -3.086 32 HE2 PHE 6 2HE PHE 6 -11.855 -2.592 -2.437 33 HZ PHE 6 HZ PHE 6 -9.991 -1.753 -3.810 34 H GLY 7 H GLY 7 -6.702 -5.439 2.734 35 1HA GLY 7 2HA GLY 7 -7.836 -5.200 5.429 36 2HA GLY 7 1HA GLY 7 -7.780 -6.783 4.656 37 H GLY 8 H GLY 8 -5.397 -4.216 4.351 38 1HA GLY 8 2HA GLY 8 -3.161 -4.116 4.879 39 2HA GLY 8 1HA GLY 8 -3.543 -5.121 6.271 40 H THR 9 H THR 9 -3.893 -5.874 2.834 41 HA THR 9 HA THR 9 -2.188 -8.220 3.260 42 HB THR 9 HB THR 9 -3.371 -8.973 1.106 43 HG1 THR 9 1HG THR 9 -4.433 -7.256 0.347 44 1HG2 THR 9 1HG2 THR 9 -4.052 -9.163 3.829 45 2HG2 THR 9 2HG2 THR 9 -4.536 -10.245 2.523 46 3HG2 THR 9 3HG2 THR 9 -5.561 -8.878 2.962 47 H CYS 10 H CYS 10 -0.763 -5.846 2.735 48 HA CYS 10 HA CYS 10 -0.230 -5.762 -0.101 49 1HB CYS 10 2HB CYS 10 1.156 -4.330 2.183 50 2HB CYS 10 1HB CYS 10 1.487 -4.074 0.473 51 H ASN 11 H ASN 11 1.122 -6.977 -1.167 52 HA ASN 11 HA ASN 11 2.694 -8.957 0.161 53 1HB ASN 11 2HB ASN 11 2.584 -8.093 -2.734 54 2HB ASN 11 1HB ASN 11 3.575 -9.426 -2.161 55 1HD2 ASN 11 1HD2 ASN 11 0.641 -9.084 -0.476 56 2HD2 ASN 11 2HD2 ASN 11 -0.241 -10.323 -1.294 57 H THR 12 H THR 12 3.389 -5.848 -1.308 58 HA THR 12 HA THR 12 6.230 -6.116 -1.177 59 HB THR 12 HB THR 12 4.690 -3.522 -1.313 60 HG1 THR 12 1HG THR 12 4.648 -5.586 -3.036 61 1HG2 THR 12 1HG2 THR 12 7.107 -3.310 -0.986 62 2HG2 THR 12 2HG2 THR 12 6.647 -2.776 -2.604 63 3HG2 THR 12 3HG2 THR 12 7.395 -4.357 -2.375 64 HA PRO 13 HA PRO 13 6.409 -5.293 3.224 65 1HB PRO 13 2HB PRO 13 9.066 -5.676 3.499 66 2HB PRO 13 1HB PRO 13 7.931 -7.016 3.302 67 1HG PRO 13 2HG PRO 13 9.711 -5.726 1.274 68 2HG PRO 13 1HG PRO 13 9.357 -7.446 1.522 69 1HD PRO 13 2HD PRO 13 8.171 -5.922 -0.411 70 2HD PRO 13 1HD PRO 13 7.402 -7.340 0.328 71 H GLY 14 H GLY 14 6.834 -3.516 4.436 72 1HA GLY 14 2HA GLY 14 8.062 -1.574 5.034 73 2HA GLY 14 1HA GLY 14 8.692 -1.502 3.395 74 H CYS 15 H CYS 15 5.868 -2.016 2.414 75 HA CYS 15 HA CYS 15 5.182 0.710 2.037 76 1HB CYS 15 2HB CYS 15 3.688 -1.844 1.386 77 2HB CYS 15 1HB CYS 15 3.156 -0.233 0.898 78 H SER 16 H SER 16 3.987 2.001 3.240 79 HA SER 16 HA SER 16 2.719 1.012 5.634 80 1HB SER 16 2HB SER 16 3.948 3.201 5.539 81 2HB SER 16 1HB SER 16 2.691 3.813 4.466 82 HG SER 16 HG SER 16 2.692 3.785 7.101 83 H CYS 17 H CYS 17 0.610 0.495 5.811 84 HA CYS 17 HA CYS 17 -0.977 0.508 3.447 85 1HB CYS 17 2HB CYS 17 -1.172 -1.373 4.926 86 2HB CYS 17 1HB CYS 17 -1.617 -0.333 6.275 87 H THR 18 H THR 18 -1.480 2.529 2.820 88 HA THR 18 HA THR 18 -2.913 4.283 4.660 89 HB THR 18 HB THR 18 -2.263 4.823 1.751 90 HG1 THR 18 1HG THR 18 -0.604 4.695 3.928 91 1HG2 THR 18 1HG2 THR 18 -3.947 6.231 3.120 92 2HG2 THR 18 2HG2 THR 18 -2.684 7.077 2.227 93 3HG2 THR 18 3HG2 THR 18 -2.523 6.836 3.966 94 H TRP 19 H TRP 19 -4.350 2.388 4.704 95 HA TRP 19 HA TRP 19 -5.867 1.072 3.138 96 1HB TRP 19 2HB TRP 19 -6.217 1.496 5.626 97 2HB TRP 19 1HB TRP 19 -7.316 2.783 5.141 98 HD1 TRP 19 HD TRP 19 -6.913 -1.020 4.430 99 HE1 TRP 19 1HE TRP 19 -9.268 -2.054 4.304 100 HE3 TRP 19 3HE TRP 19 -9.693 3.227 5.063 101 HZ2 TRP 19 2HZ TRP 19 -11.948 -1.178 4.446 102 HZ3 TRP 19 3HZ TRP 19 -12.146 3.041 5.051 103 HH2 TRP 19 HH TRP 19 -13.249 0.884 4.749 104 HA PRO 20 HA PRO 20 -6.654 0.249 1.998 105 1HB PRO 20 2HB PRO 20 -7.873 -0.473 -0.256 106 2HB PRO 20 1HB PRO 20 -8.805 -0.057 1.185 107 1HG PRO 20 2HG PRO 20 -8.468 1.453 -1.329 108 2HG PRO 20 1HG PRO 20 -9.764 1.551 -0.125 109 1HD PRO 20 2HD PRO 20 -7.414 3.238 -0.406 110 2HD PRO 20 1HD PRO 20 -8.792 3.430 0.698 111 H ILE 21 H ILE 21 -4.908 2.476 0.759 112 HA ILE 21 HA ILE 21 -3.650 0.785 -1.322 113 HB ILE 21 HB ILE 21 -3.618 3.807 -1.203 114 1HG1 ILE 21 2HG1 ILE 21 -5.850 2.910 -1.801 115 2HG1 ILE 21 1HG1 ILE 21 -5.096 3.781 -3.133 116 1HG2 ILE 21 1HG2 ILE 21 -2.640 3.631 -3.468 117 2HG2 ILE 21 2HG2 ILE 21 -2.549 1.883 -3.259 118 3HG2 ILE 21 3HG2 ILE 21 -1.611 2.946 -2.210 119 1HD1 ILE 21 1HD1 ILE 21 -4.682 1.820 -4.325 120 2HD1 ILE 21 2HD1 ILE 21 -6.300 1.599 -3.655 121 3HD1 ILE 21 3HD1 ILE 21 -4.917 0.799 -2.905 122 H CYS 22 H CYS 22 -1.569 0.210 -0.945 123 HA CYS 22 HA CYS 22 -0.274 1.226 1.425 124 1HB CYS 22 2HB CYS 22 0.256 -0.985 -0.469 125 2HB CYS 22 1HB CYS 22 1.652 -0.301 0.359 126 H THR 23 H THR 23 1.257 2.668 1.604 127 HA THR 23 HA THR 23 2.395 3.824 -0.872 128 HB THR 23 HB THR 23 2.636 5.944 0.435 129 HG1 THR 23 1HG THR 23 0.728 5.312 2.295 130 1HG2 THR 23 1HG2 THR 23 0.063 6.356 0.577 131 2HG2 THR 23 2HG2 THR 23 -0.052 4.745 -0.132 132 3HG2 THR 23 3HG2 THR 23 0.804 6.027 -0.990 133 H ARG 24 H ARG 24 4.579 4.174 -0.944 134 HA ARG 24 HA ARG 24 6.139 2.986 1.225 135 1HB ARG 24 2HB ARG 24 6.562 2.359 -1.208 136 2HB ARG 24 1HB ARG 24 7.165 3.995 -1.436 137 1HG ARG 24 2HG ARG 24 8.955 2.329 -1.072 138 2HG ARG 24 1HG ARG 24 8.947 3.619 0.135 139 1HD ARG 24 2HD ARG 24 8.073 2.225 1.793 140 2HD ARG 24 1HD ARG 24 7.503 1.039 0.623 141 HE ARG 24 HE ARG 24 9.512 0.004 0.779 142 1HH1 ARG 24 1HH1 ARG 24 9.997 3.330 1.847 143 2HH1 ARG 24 2HH1 ARG 24 11.623 3.038 2.359 144 1HH2 ARG 24 1HH2 ARG 24 11.665 -0.341 1.448 145 2HH2 ARG 24 2HH2 ARG 24 12.574 0.967 2.125 146 H ASP 25 H ASP 25 6.358 4.421 2.786 147 HA ASP 25 HA ASP 25 6.913 6.287 3.933 148 1HB ASP 25 2HB ASP 25 8.511 7.152 1.522 149 2HB ASP 25 1HB ASP 25 8.813 7.530 3.215 150 H GLY 26 H GLY 26 4.527 6.281 2.428 151 1HA GLY 26 2HA GLY 26 2.873 7.965 2.381 152 2HA GLY 26 1HA GLY 26 4.138 9.169 2.199 153 H LEU 27 H LEU 27 5.226 7.193 0.011 154 HA LEU 27 HA LEU 27 3.715 8.480 -2.113 155 1HB LEU 27 2HB LEU 27 6.294 6.929 -2.129 156 2HB LEU 27 1HB LEU 27 5.528 7.549 -3.580 157 HG LEU 27 HG LEU 27 6.398 9.284 -1.282 158 1HD1 LEU 27 1HD1 LEU 27 7.988 9.727 -3.567 159 2HD1 LEU 27 2HD1 LEU 27 7.982 7.988 -3.274 160 3HD1 LEU 27 3HD1 LEU 27 8.492 9.096 -2.000 161 1HD2 LEU 27 1HD2 LEU 27 6.209 11.071 -3.000 162 2HD2 LEU 27 2HD2 LEU 27 4.673 10.310 -2.587 163 3HD2 LEU 27 3HD2 LEU 27 5.493 9.884 -4.089 164 HA PRO 28 HA PRO 28 1.454 4.666 -2.726 165 1HB PRO 28 2HB PRO 28 0.251 6.010 -5.019 166 2HB PRO 28 1HB PRO 28 -0.504 5.500 -3.508 167 1HG PRO 28 2HG PRO 28 -0.120 8.105 -4.150 168 2HG PRO 28 1HG PRO 28 -0.113 7.515 -2.479 169 1HD PRO 28 2HD PRO 28 2.200 8.187 -4.261 170 2HD PRO 28 1HD PRO 28 1.973 8.527 -2.531 171 H VAL 29 H VAL 29 4.108 4.909 -3.812 172 HA VAL 29 HA VAL 29 3.860 4.058 -6.592 173 HB VAL 29 HB VAL 29 6.331 4.100 -6.622 174 1HG1 VAL 29 1HG1 VAL 29 6.506 6.631 -6.062 175 2HG1 VAL 29 2HG1 VAL 29 4.768 6.506 -5.788 176 3HG1 VAL 29 3HG1 VAL 29 5.443 6.099 -7.365 177 1HG2 VAL 29 1HG2 VAL 29 7.306 3.745 -4.627 178 2HG2 VAL 29 2HG2 VAL 29 5.934 4.393 -3.729 179 3HG2 VAL 29 3HG2 VAL 29 7.130 5.488 -4.423 Start of MODEL 7 1 1H CYS 1 H CYS 1 3.214 2.402 -4.041 2 HA CYS 1 HA CYS 1 5.117 0.282 -4.380 3 1HB CYS 1 2HB CYS 1 2.582 0.519 -2.760 4 2HB CYS 1 1HB CYS 1 3.614 -0.901 -2.749 5 H GLY 2 H GLY 2 2.003 1.098 -5.647 6 1HA GLY 2 2HA GLY 2 0.671 0.066 -7.216 7 2HA GLY 2 1HA GLY 2 2.062 -0.943 -7.607 8 H GLU 3 H GLU 3 0.529 -0.644 -4.480 9 HA GLU 3 HA GLU 3 -0.660 -3.300 -4.710 10 1HB GLU 3 2HB GLU 3 1.501 -3.764 -3.769 11 2HB GLU 3 1HB GLU 3 1.367 -2.420 -2.646 12 1HG GLU 3 2HG GLU 3 1.066 -4.476 -1.463 13 2HG GLU 3 1HG GLU 3 -0.463 -3.601 -1.496 14 H THR 4 H THR 4 -2.415 -3.617 -3.366 15 HA THR 4 HA THR 4 -3.323 -1.225 -1.897 16 HB THR 4 HB THR 4 -5.648 -2.029 -2.337 17 HG1 THR 4 1HG THR 4 -4.279 -4.087 -3.451 18 1HG2 THR 4 1HG2 THR 4 -5.580 -1.365 -4.822 19 2HG2 THR 4 2HG2 THR 4 -3.845 -1.159 -4.578 20 3HG2 THR 4 3HG2 THR 4 -4.987 -0.197 -3.640 21 H CYS 5 H CYS 5 -4.287 -1.530 0.088 22 HA CYS 5 HA CYS 5 -4.068 -4.250 1.166 23 1HB CYS 5 2HB CYS 5 -3.531 -3.261 3.348 24 2HB CYS 5 1HB CYS 5 -2.345 -2.841 2.120 25 H PHE 6 H PHE 6 -6.349 -3.898 0.047 26 HA PHE 6 HA PHE 6 -8.389 -2.569 1.407 27 1HB PHE 6 2HB PHE 6 -8.371 -5.010 -0.348 28 2HB PHE 6 1HB PHE 6 -9.858 -4.471 0.420 29 HD1 PHE 6 1HD PHE 6 -11.241 -3.356 -1.002 30 HD2 PHE 6 2HD PHE 6 -7.041 -2.789 -1.383 31 HE1 PHE 6 1HE PHE 6 -11.626 -1.771 -2.843 32 HE2 PHE 6 2HE PHE 6 -7.419 -1.200 -3.223 33 HZ PHE 6 HZ PHE 6 -9.714 -0.689 -3.955 34 H GLY 7 H GLY 7 -6.850 -5.659 2.021 35 1HA GLY 7 2HA GLY 7 -8.668 -6.105 4.291 36 2HA GLY 7 1HA GLY 7 -7.655 -7.333 3.544 37 H GLY 8 H GLY 8 -6.246 -4.239 4.052 38 1HA GLY 8 2HA GLY 8 -4.683 -3.462 5.545 39 2HA GLY 8 1HA GLY 8 -5.311 -4.621 6.708 40 H THR 9 H THR 9 -3.818 -5.178 3.540 41 HA THR 9 HA THR 9 -1.436 -6.217 4.796 42 HB THR 9 HB THR 9 -2.951 -8.157 4.837 43 HG1 THR 9 1HG THR 9 -1.379 -9.478 4.209 44 1HG2 THR 9 1HG2 THR 9 -4.287 -7.485 2.829 45 2HG2 THR 9 2HG2 THR 9 -3.794 -9.177 2.842 46 3HG2 THR 9 3HG2 THR 9 -2.940 -8.019 1.824 47 H CYS 10 H CYS 10 0.337 -6.249 3.428 48 HA CYS 10 HA CYS 10 -0.094 -5.439 0.637 49 1HB CYS 10 2HB CYS 10 1.976 -4.214 2.479 50 2HB CYS 10 1HB CYS 10 1.700 -3.797 0.793 51 H ASN 11 H ASN 11 1.091 -6.617 -0.764 52 HA ASN 11 HA ASN 11 2.797 -8.693 0.198 53 1HB ASN 11 2HB ASN 11 2.117 -7.673 -2.553 54 2HB ASN 11 1HB ASN 11 3.320 -8.936 -2.314 55 1HD2 ASN 11 1HD2 ASN 11 0.025 -8.184 -2.557 56 2HD2 ASN 11 2HD2 ASN 11 -0.595 -9.772 -2.224 57 H THR 12 H THR 12 3.329 -5.558 -1.311 58 HA THR 12 HA THR 12 6.151 -5.835 -1.565 59 HB THR 12 HB THR 12 4.686 -3.208 -1.377 60 HG1 THR 12 1HG THR 12 4.619 -3.660 -3.830 61 1HG2 THR 12 1HG2 THR 12 6.901 -3.926 -3.269 62 2HG2 THR 12 2HG2 THR 12 7.260 -3.475 -1.602 63 3HG2 THR 12 3HG2 THR 12 6.426 -2.340 -2.662 64 HA PRO 13 HA PRO 13 6.935 -5.244 2.818 65 1HB PRO 13 2HB PRO 13 9.755 -5.337 2.014 66 2HB PRO 13 1HB PRO 13 8.856 -6.424 3.075 67 1HG PRO 13 2HG PRO 13 9.679 -7.179 0.625 68 2HG PRO 13 1HG PRO 13 8.163 -7.767 1.333 69 1HD PRO 13 2HD PRO 13 8.594 -5.613 -0.705 70 2HD PRO 13 1HD PRO 13 7.348 -6.880 -0.650 71 H GLY 14 H GLY 14 7.324 -3.484 4.034 72 1HA GLY 14 2HA GLY 14 8.457 -1.496 4.630 73 2HA GLY 14 1HA GLY 14 8.992 -1.331 2.965 74 H CYS 15 H CYS 15 6.097 -1.955 2.180 75 HA CYS 15 HA CYS 15 5.301 0.793 2.022 76 1HB CYS 15 2HB CYS 15 3.917 -1.736 1.117 77 2HB CYS 15 1HB CYS 15 3.359 -0.104 0.756 78 H SER 16 H SER 16 4.021 1.873 3.323 79 HA SER 16 HA SER 16 2.810 0.580 5.600 80 1HB SER 16 2HB SER 16 3.951 2.810 5.751 81 2HB SER 16 1HB SER 16 2.673 3.486 4.741 82 HG SER 16 HG SER 16 2.648 3.289 7.324 83 H CYS 17 H CYS 17 0.658 0.171 5.852 84 HA CYS 17 HA CYS 17 -0.936 0.213 3.481 85 1HB CYS 17 2HB CYS 17 -1.175 -1.701 4.890 86 2HB CYS 17 1HB CYS 17 -1.524 -0.701 6.296 87 H THR 18 H THR 18 -1.437 2.252 2.899 88 HA THR 18 HA THR 18 -2.848 3.963 4.801 89 HB THR 18 HB THR 18 -2.117 4.608 1.932 90 HG1 THR 18 1HG THR 18 -0.561 4.467 4.207 91 1HG2 THR 18 1HG2 THR 18 -2.775 6.356 4.312 92 2HG2 THR 18 2HG2 THR 18 -3.811 6.069 2.913 93 3HG2 THR 18 3HG2 THR 18 -2.290 6.940 2.720 94 H TRP 19 H TRP 19 -4.370 2.150 4.770 95 HA TRP 19 HA TRP 19 -5.881 0.963 3.053 96 1HB TRP 19 2HB TRP 19 -6.255 1.203 5.570 97 2HB TRP 19 1HB TRP 19 -7.325 2.540 5.166 98 HD1 TRP 19 HD TRP 19 -6.964 -1.184 4.103 99 HE1 TRP 19 1HE TRP 19 -9.330 -2.180 3.884 100 HE3 TRP 19 3HE TRP 19 -9.698 2.998 5.185 101 HZ2 TRP 19 2HZ TRP 19 -12.000 -1.298 4.133 102 HZ3 TRP 19 3HZ TRP 19 -12.153 2.838 5.170 103 HH2 TRP 19 HH TRP 19 -13.279 0.733 4.654 104 HA PRO 20 HA PRO 20 -6.751 0.254 1.899 105 1HB PRO 20 2HB PRO 20 -8.003 -0.262 -0.396 106 2HB PRO 20 1HB PRO 20 -8.913 0.124 1.070 107 1HG PRO 20 2HG PRO 20 -8.477 1.758 -1.350 108 2HG PRO 20 1HG PRO 20 -9.772 1.856 -0.147 109 1HD PRO 20 2HD PRO 20 -7.335 3.425 -0.319 110 2HD PRO 20 1HD PRO 20 -8.702 3.620 0.799 111 H ILE 21 H ILE 21 -4.835 2.413 0.809 112 HA ILE 21 HA ILE 21 -3.680 0.744 -1.344 113 HB ILE 21 HB ILE 21 -3.549 3.760 -1.165 114 1HG1 ILE 21 2HG1 ILE 21 -5.019 1.998 -3.141 115 2HG1 ILE 21 1HG1 ILE 21 -5.779 2.889 -1.826 116 1HG2 ILE 21 1HG2 ILE 21 -2.628 2.014 -3.435 117 2HG2 ILE 21 2HG2 ILE 21 -1.554 2.556 -2.145 118 3HG2 ILE 21 3HG2 ILE 21 -2.336 3.736 -3.197 119 1HD1 ILE 21 1HD1 ILE 21 -4.926 4.988 -2.860 120 2HD1 ILE 21 2HD1 ILE 21 -6.099 4.110 -3.841 121 3HD1 ILE 21 3HD1 ILE 21 -4.381 4.024 -4.233 122 H CYS 22 H CYS 22 -1.592 0.150 -1.107 123 HA CYS 22 HA CYS 22 -0.243 0.845 1.342 124 1HB CYS 22 2HB CYS 22 0.808 -0.809 -0.957 125 2HB CYS 22 1HB CYS 22 1.386 -0.809 0.708 126 H THR 23 H THR 23 1.261 2.367 1.619 127 HA THR 23 HA THR 23 2.367 3.671 -0.803 128 HB THR 23 HB THR 23 2.603 5.712 0.626 129 HG1 THR 23 1HG THR 23 0.746 4.947 2.480 130 1HG2 THR 23 1HG2 THR 23 0.068 4.514 -0.253 131 2HG2 THR 23 2HG2 THR 23 0.736 6.115 -0.573 132 3HG2 THR 23 3HG2 THR 23 -0.111 5.800 0.942 133 H ARG 24 H ARG 24 4.527 3.988 -0.951 134 HA ARG 24 HA ARG 24 6.194 2.755 1.105 135 1HB ARG 24 2HB ARG 24 6.512 2.306 -1.389 136 2HB ARG 24 1HB ARG 24 7.111 3.955 -1.514 137 1HG ARG 24 2HG ARG 24 8.992 2.519 -1.344 138 2HG ARG 24 1HG ARG 24 8.839 3.373 0.192 139 1HD ARG 24 2HD ARG 24 7.584 1.354 1.050 140 2HD ARG 24 1HD ARG 24 8.076 0.524 -0.426 141 HE ARG 24 HE ARG 24 10.166 0.272 0.461 142 1HH1 ARG 24 1HH1 ARG 24 8.406 2.589 2.364 143 2HH1 ARG 24 2HH1 ARG 24 9.726 2.967 3.417 144 1HH2 ARG 24 1HH2 ARG 24 11.919 0.674 1.915 145 2HH2 ARG 24 2HH2 ARG 24 11.715 1.834 3.185 146 H ASP 25 H ASP 25 6.403 4.127 2.755 147 HA ASP 25 HA ASP 25 6.978 5.914 4.001 148 1HB ASP 25 2HB ASP 25 8.626 6.730 1.597 149 2HB ASP 25 1HB ASP 25 8.806 7.355 3.232 150 H GLY 26 H GLY 26 4.559 6.084 2.614 151 1HA GLY 26 2HA GLY 26 2.919 7.729 2.559 152 2HA GLY 26 1HA GLY 26 4.172 8.947 2.730 153 H LEU 27 H LEU 27 4.189 6.475 0.252 154 HA LEU 27 HA LEU 27 3.226 8.350 -1.742 155 1HB LEU 27 2HB LEU 27 5.731 8.600 -1.525 156 2HB LEU 27 1HB LEU 27 5.874 6.939 -2.063 157 HG LEU 27 HG LEU 27 4.849 7.538 -4.212 158 1HD1 LEU 27 1HD1 LEU 27 3.444 9.309 -4.010 159 2HD1 LEU 27 2HD1 LEU 27 4.885 10.182 -4.531 160 3HD1 LEU 27 3HD1 LEU 27 4.460 10.123 -2.820 161 1HD2 LEU 27 1HD2 LEU 27 6.823 9.565 -4.374 162 2HD2 LEU 27 2HD2 LEU 27 6.935 7.878 -4.879 163 3HD2 LEU 27 3HD2 LEU 27 7.395 8.342 -3.240 164 HA PRO 28 HA PRO 28 1.322 4.412 -2.716 165 1HB PRO 28 2HB PRO 28 -0.287 5.326 -4.697 166 2HB PRO 28 1HB PRO 28 -0.626 5.581 -2.982 167 1HG PRO 28 2HG PRO 28 0.619 7.450 -4.963 168 2HG PRO 28 1HG PRO 28 -0.617 7.783 -3.736 169 1HD PRO 28 2HD PRO 28 1.989 8.401 -3.371 170 2HD PRO 28 1HD PRO 28 0.931 7.917 -2.032 171 H VAL 29 H VAL 29 3.921 4.760 -3.795 172 HA VAL 29 HA VAL 29 3.591 4.098 -6.630 173 HB VAL 29 HB VAL 29 6.080 4.261 -6.748 174 1HG1 VAL 29 1HG1 VAL 29 4.331 6.176 -7.061 175 2HG1 VAL 29 2HG1 VAL 29 6.056 6.540 -7.042 176 3HG1 VAL 29 3HG1 VAL 29 5.079 6.826 -5.601 177 1HG2 VAL 29 1HG2 VAL 29 7.086 5.587 -4.772 178 2HG2 VAL 29 2HG2 VAL 29 6.874 3.845 -4.600 179 3HG2 VAL 29 3HG2 VAL 29 5.721 4.951 -3.853 Start of MODEL 8 1 1H CYS 1 H CYS 1 3.360 2.265 -3.835 2 HA CYS 1 HA CYS 1 5.271 0.132 -3.977 3 1HB CYS 1 2HB CYS 1 2.676 0.468 -2.477 4 2HB CYS 1 1HB CYS 1 3.674 -0.973 -2.370 5 H GLY 2 H GLY 2 2.263 0.913 -5.470 6 1HA GLY 2 2HA GLY 2 1.026 -0.166 -7.080 7 2HA GLY 2 1HA GLY 2 2.423 -1.209 -7.328 8 H GLU 3 H GLU 3 0.539 -0.751 -4.392 9 HA GLU 3 HA GLU 3 -0.711 -3.354 -4.651 10 1HB GLU 3 2HB GLU 3 1.363 -4.012 -3.660 11 2HB GLU 3 1HB GLU 3 1.330 -2.665 -2.534 12 1HG GLU 3 2HG GLU 3 0.827 -4.679 -1.356 13 2HG GLU 3 1HG GLU 3 -0.625 -3.686 -1.427 14 H THR 4 H THR 4 -2.485 -3.613 -3.309 15 HA THR 4 HA THR 4 -3.308 -1.189 -1.840 16 HB THR 4 HB THR 4 -5.657 -1.909 -2.284 17 HG1 THR 4 1HG THR 4 -4.370 -4.016 -3.396 18 1HG2 THR 4 1HG2 THR 4 -5.517 -1.281 -4.809 19 2HG2 THR 4 2HG2 THR 4 -3.803 -1.043 -4.471 20 3HG2 THR 4 3HG2 THR 4 -5.013 -0.106 -3.594 21 H CYS 5 H CYS 5 -4.244 -1.476 0.160 22 HA CYS 5 HA CYS 5 -4.078 -4.211 1.204 23 1HB CYS 5 2HB CYS 5 -3.579 -3.235 3.406 24 2HB CYS 5 1HB CYS 5 -2.370 -2.827 2.198 25 H PHE 6 H PHE 6 -6.349 -3.879 0.077 26 HA PHE 6 HA PHE 6 -8.411 -2.575 1.436 27 1HB PHE 6 2HB PHE 6 -8.360 -5.002 -0.339 28 2HB PHE 6 1HB PHE 6 -9.856 -4.486 0.430 29 HD1 PHE 6 1HD PHE 6 -11.248 -3.365 -0.978 30 HD2 PHE 6 2HD PHE 6 -7.052 -2.770 -1.363 31 HE1 PHE 6 1HE PHE 6 -11.646 -1.769 -2.808 32 HE2 PHE 6 2HE PHE 6 -7.444 -1.172 -3.192 33 HZ PHE 6 HZ PHE 6 -9.743 -0.669 -3.917 34 H GLY 7 H GLY 7 -6.847 -5.658 2.021 35 1HA GLY 7 2HA GLY 7 -8.656 -6.134 4.295 36 2HA GLY 7 1HA GLY 7 -7.649 -7.354 3.526 37 H GLY 8 H GLY 8 -6.252 -4.256 4.081 38 1HA GLY 8 2HA GLY 8 -4.679 -3.500 5.576 39 2HA GLY 8 1HA GLY 8 -5.291 -4.686 6.718 40 H THR 9 H THR 9 -3.832 -5.199 3.531 41 HA THR 9 HA THR 9 -1.416 -6.214 4.741 42 HB THR 9 HB THR 9 -2.926 -8.168 4.796 43 HG1 THR 9 1HG THR 9 -1.250 -9.369 4.330 44 1HG2 THR 9 1HG2 THR 9 -3.187 -7.544 1.883 45 2HG2 THR 9 2HG2 THR 9 -4.430 -7.999 3.049 46 3HG2 THR 9 3HG2 THR 9 -3.311 -9.215 2.433 47 H CYS 10 H CYS 10 0.333 -6.207 3.339 48 HA CYS 10 HA CYS 10 -0.180 -5.349 0.573 49 1HB CYS 10 2HB CYS 10 1.962 -4.205 2.380 50 2HB CYS 10 1HB CYS 10 1.641 -3.737 0.717 51 H ASN 11 H ASN 11 0.927 -6.506 -0.903 52 HA ASN 11 HA ASN 11 2.642 -8.634 -0.102 53 1HB ASN 11 2HB ASN 11 1.200 -8.620 -2.167 54 2HB ASN 11 1HB ASN 11 2.319 -7.464 -2.876 55 1HD2 ASN 11 1HD2 ASN 11 1.514 -10.631 -2.710 56 2HD2 ASN 11 2HD2 ASN 11 3.010 -11.341 -3.200 57 H THR 12 H THR 12 3.178 -5.493 -1.625 58 HA THR 12 HA THR 12 5.968 -5.713 -1.944 59 HB THR 12 HB THR 12 4.510 -3.114 -1.495 60 HG1 THR 12 1HG THR 12 4.301 -3.385 -3.965 61 1HG2 THR 12 1HG2 THR 12 7.136 -3.791 -2.255 62 2HG2 THR 12 2HG2 THR 12 6.393 -2.191 -2.261 63 3HG2 THR 12 3HG2 THR 12 6.337 -3.195 -3.710 64 HA PRO 13 HA PRO 13 6.956 -5.381 2.421 65 1HB PRO 13 2HB PRO 13 9.642 -5.656 2.135 66 2HB PRO 13 1HB PRO 13 8.522 -7.021 2.057 67 1HG PRO 13 2HG PRO 13 9.812 -5.498 -0.172 68 2HG PRO 13 1HG PRO 13 9.564 -7.246 -0.006 69 1HD PRO 13 2HD PRO 13 7.969 -5.666 -1.535 70 2HD PRO 13 1HD PRO 13 7.381 -7.130 -0.721 71 H GLY 14 H GLY 14 7.562 -3.788 3.743 72 1HA GLY 14 2HA GLY 14 8.484 -1.798 4.471 73 2HA GLY 14 1HA GLY 14 9.329 -1.668 2.935 74 H CYS 15 H CYS 15 5.865 -2.091 3.261 75 HA CYS 15 HA CYS 15 5.505 0.667 2.335 76 1HB CYS 15 2HB CYS 15 4.131 -1.850 1.411 77 2HB CYS 15 1HB CYS 15 3.498 -0.244 1.086 78 H SER 16 H SER 16 4.037 1.861 3.376 79 HA SER 16 HA SER 16 2.776 0.746 5.729 80 1HB SER 16 2HB SER 16 3.900 2.981 5.754 81 2HB SER 16 1HB SER 16 2.671 3.573 4.638 82 HG SER 16 HG SER 16 2.513 3.639 7.198 83 H CYS 17 H CYS 17 0.627 0.322 5.943 84 HA CYS 17 HA CYS 17 -0.923 0.270 3.522 85 1HB CYS 17 2HB CYS 17 -1.156 -1.651 4.907 86 2HB CYS 17 1HB CYS 17 -1.494 -0.672 6.331 87 H THR 18 H THR 18 -1.472 2.297 2.932 88 HA THR 18 HA THR 18 -2.914 3.987 4.828 89 HB THR 18 HB THR 18 -2.210 4.640 1.955 90 HG1 THR 18 1HG THR 18 -0.614 4.468 4.180 91 1HG2 THR 18 1HG2 THR 18 -3.606 6.345 2.502 92 2HG2 THR 18 2HG2 THR 18 -2.174 6.979 3.314 93 3HG2 THR 18 3HG2 THR 18 -3.395 6.102 4.236 94 H TRP 19 H TRP 19 -4.423 2.156 4.806 95 HA TRP 19 HA TRP 19 -5.919 0.959 3.074 96 1HB TRP 19 2HB TRP 19 -6.295 1.153 5.590 97 2HB TRP 19 1HB TRP 19 -7.363 2.501 5.216 98 HD1 TRP 19 HD TRP 19 -7.018 -1.223 4.158 99 HE1 TRP 19 1HE TRP 19 -9.387 -2.199 3.897 100 HE3 TRP 19 3HE TRP 19 -9.736 2.994 5.143 101 HZ2 TRP 19 2HZ TRP 19 -12.054 -1.291 4.080 102 HZ3 TRP 19 3HZ TRP 19 -12.191 2.855 5.076 103 HH2 TRP 19 HH TRP 19 -13.325 0.756 4.555 104 HA PRO 20 HA PRO 20 -6.799 0.253 1.918 105 1HB PRO 20 2HB PRO 20 -8.060 -0.250 -0.374 106 2HB PRO 20 1HB PRO 20 -8.963 0.117 1.099 107 1HG PRO 20 2HG PRO 20 -8.547 1.777 -1.308 108 2HG PRO 20 1HG PRO 20 -9.840 1.855 -0.100 109 1HD PRO 20 2HD PRO 20 -7.415 3.442 -0.266 110 2HD PRO 20 1HD PRO 20 -8.778 3.615 0.861 111 H ILE 21 H ILE 21 -4.900 2.433 0.842 112 HA ILE 21 HA ILE 21 -3.739 0.788 -1.326 113 HB ILE 21 HB ILE 21 -3.635 3.805 -1.132 114 1HG1 ILE 21 2HG1 ILE 21 -5.089 2.037 -3.115 115 2HG1 ILE 21 1HG1 ILE 21 -5.857 2.918 -1.798 116 1HG2 ILE 21 1HG2 ILE 21 -2.555 1.921 -3.226 117 2HG2 ILE 21 2HG2 ILE 21 -1.609 2.904 -2.109 118 3HG2 ILE 21 3HG2 ILE 21 -2.584 3.679 -3.358 119 1HD1 ILE 21 1HD1 ILE 21 -5.996 3.956 -4.093 120 2HD1 ILE 21 2HD1 ILE 21 -4.271 4.290 -3.944 121 3HD1 ILE 21 3HD1 ILE 21 -5.409 4.999 -2.798 122 H CYS 22 H CYS 22 -1.641 0.213 -1.094 123 HA CYS 22 HA CYS 22 -0.304 0.920 1.360 124 1HB CYS 22 2HB CYS 22 0.752 -0.746 -0.925 125 2HB CYS 22 1HB CYS 22 1.328 -0.734 0.740 126 H THR 23 H THR 23 1.176 2.453 1.636 127 HA THR 23 HA THR 23 2.357 3.700 -0.776 128 HB THR 23 HB THR 23 2.513 5.800 0.546 129 HG1 THR 23 1HG THR 23 0.632 5.116 2.411 130 1HG2 THR 23 1HG2 THR 23 -0.072 4.519 -0.169 131 2HG2 THR 23 2HG2 THR 23 0.671 5.993 -0.790 132 3HG2 THR 23 3HG2 THR 23 -0.146 6.009 0.774 133 H ARG 24 H ARG 24 4.502 4.185 -0.762 134 HA ARG 24 HA ARG 24 6.069 3.048 1.443 135 1HB ARG 24 2HB ARG 24 6.461 2.413 -1.053 136 2HB ARG 24 1HB ARG 24 7.202 4.004 -1.180 137 1HG ARG 24 2HG ARG 24 8.790 3.408 0.575 138 2HG ARG 24 1HG ARG 24 8.045 1.813 0.704 139 1HD ARG 24 2HD ARG 24 8.559 1.581 -1.793 140 2HD ARG 24 1HD ARG 24 9.622 2.972 -1.571 141 HE ARG 24 HE ARG 24 11.121 1.613 -0.523 142 1HH1 ARG 24 1HH1 ARG 24 8.032 -0.026 -0.634 143 2HH1 ARG 24 2HH1 ARG 24 8.635 -1.496 0.066 144 1HH2 ARG 24 1HH2 ARG 24 11.924 -0.333 0.398 145 2HH2 ARG 24 2HH2 ARG 24 10.847 -1.668 0.642 146 H ASP 25 H ASP 25 6.345 4.545 2.927 147 HA ASP 25 HA ASP 25 6.836 6.482 3.976 148 1HB ASP 25 2HB ASP 25 8.398 7.058 1.445 149 2HB ASP 25 1HB ASP 25 8.548 7.953 2.954 150 H GLY 26 H GLY 26 4.420 6.297 2.510 151 1HA GLY 26 2HA GLY 26 2.681 7.895 2.456 152 2HA GLY 26 1HA GLY 26 3.878 9.155 2.217 153 H LEU 27 H LEU 27 5.038 7.226 0.050 154 HA LEU 27 HA LEU 27 3.385 8.345 -2.066 155 1HB LEU 27 2HB LEU 27 6.094 7.035 -2.102 156 2HB LEU 27 1HB LEU 27 5.248 7.546 -3.552 157 HG LEU 27 HG LEU 27 5.994 9.409 -1.312 158 1HD1 LEU 27 1HD1 LEU 27 7.972 8.376 -2.429 159 2HD1 LEU 27 2HD1 LEU 27 7.860 10.125 -2.627 160 3HD1 LEU 27 3HD1 LEU 27 7.399 9.056 -3.951 161 1HD2 LEU 27 1HD2 LEU 27 5.756 10.909 -3.546 162 2HD2 LEU 27 2HD2 LEU 27 4.453 10.646 -2.387 163 3HD2 LEU 27 3HD2 LEU 27 4.541 9.667 -3.852 164 HA PRO 28 HA PRO 28 1.457 4.343 -2.599 165 1HB PRO 28 2HB PRO 28 0.149 5.521 -4.926 166 2HB PRO 28 1HB PRO 28 -0.561 4.992 -3.400 167 1HG PRO 28 2HG PRO 28 -0.392 7.603 -4.114 168 2HG PRO 28 1HG PRO 28 -0.339 7.060 -2.428 169 1HD PRO 28 2HD PRO 28 1.913 7.871 -4.229 170 2HD PRO 28 1HD PRO 28 1.657 8.240 -2.511 171 H VAL 29 H VAL 29 4.085 4.779 -3.706 172 HA VAL 29 HA VAL 29 3.920 3.856 -6.466 173 HB VAL 29 HB VAL 29 6.386 4.040 -6.464 174 1HG1 VAL 29 1HG1 VAL 29 6.139 6.169 -7.058 175 2HG1 VAL 29 2HG1 VAL 29 5.825 6.660 -5.393 176 3HG1 VAL 29 3HG1 VAL 29 4.500 6.090 -6.410 177 1HG2 VAL 29 1HG2 VAL 29 6.100 5.166 -3.680 178 2HG2 VAL 29 2HG2 VAL 29 7.590 4.922 -4.593 179 3HG2 VAL 29 3HG2 VAL 29 6.663 3.532 -4.029 Start of MODEL 9 1 1H CYS 1 H CYS 1 3.235 2.399 -4.109 2 HA CYS 1 HA CYS 1 5.136 0.268 -4.356 3 1HB CYS 1 2HB CYS 1 2.590 0.584 -2.771 4 2HB CYS 1 1HB CYS 1 3.575 -0.869 -2.729 5 H GLY 2 H GLY 2 2.016 1.056 -5.649 6 1HA GLY 2 2HA GLY 2 0.695 0.000 -7.211 7 2HA GLY 2 1HA GLY 2 2.099 -0.990 -7.600 8 H GLU 3 H GLU 3 0.531 -0.696 -4.486 9 HA GLU 3 HA GLU 3 -0.637 -3.353 -4.703 10 1HB GLU 3 2HB GLU 3 1.496 -3.904 -3.831 11 2HB GLU 3 1HB GLU 3 1.518 -2.505 -2.776 12 1HG GLU 3 2HG GLU 3 1.241 -4.525 -1.501 13 2HG GLU 3 1HG GLU 3 -0.201 -3.526 -1.381 14 H THR 4 H THR 4 -2.410 -3.637 -3.399 15 HA THR 4 HA THR 4 -3.252 -1.260 -1.870 16 HB THR 4 HB THR 4 -5.593 -2.017 -2.299 17 HG1 THR 4 1HG THR 4 -4.317 -4.123 -3.358 18 1HG2 THR 4 1HG2 THR 4 -5.592 -0.489 -3.922 19 2HG2 THR 4 2HG2 THR 4 -4.801 -1.608 -5.031 20 3HG2 THR 4 3HG2 THR 4 -3.832 -0.592 -3.965 21 H CYS 5 H CYS 5 -4.208 -1.554 0.115 22 HA CYS 5 HA CYS 5 -4.049 -4.280 1.190 23 1HB CYS 5 2HB CYS 5 -3.483 -3.289 3.373 24 2HB CYS 5 1HB CYS 5 -2.283 -2.930 2.138 25 H PHE 6 H PHE 6 -6.335 -3.893 0.105 26 HA PHE 6 HA PHE 6 -8.327 -2.490 1.457 27 1HB PHE 6 2HB PHE 6 -8.389 -4.974 -0.235 28 2HB PHE 6 1HB PHE 6 -9.853 -4.377 0.535 29 HD1 PHE 6 1HD PHE 6 -7.015 -2.807 -1.333 30 HD2 PHE 6 2HD PHE 6 -11.223 -3.267 -0.904 31 HE1 PHE 6 1HE PHE 6 -7.373 -1.245 -3.199 32 HE2 PHE 6 2HE PHE 6 -11.588 -1.707 -2.770 33 HZ PHE 6 HZ PHE 6 -9.661 -0.694 -3.921 34 H GLY 7 H GLY 7 -6.886 -5.621 2.122 35 1HA GLY 7 2HA GLY 7 -8.665 -5.922 4.449 36 2HA GLY 7 1HA GLY 7 -7.751 -7.223 3.699 37 H GLY 8 H GLY 8 -6.160 -4.195 4.117 38 1HA GLY 8 2HA GLY 8 -4.515 -3.489 5.560 39 2HA GLY 8 1HA GLY 8 -5.156 -4.618 6.746 40 H THR 9 H THR 9 -3.796 -5.221 3.531 41 HA THR 9 HA THR 9 -1.449 -6.456 4.710 42 HB THR 9 HB THR 9 -3.246 -8.009 2.835 43 HG1 THR 9 1HG THR 9 -3.368 -7.692 5.517 44 1HG2 THR 9 1HG2 THR 9 -0.507 -8.341 3.711 45 2HG2 THR 9 2HG2 THR 9 -1.406 -9.227 2.479 46 3HG2 THR 9 3HG2 THR 9 -1.498 -9.726 4.168 47 H CYS 10 H CYS 10 0.323 -6.237 3.415 48 HA CYS 10 HA CYS 10 -0.114 -5.359 0.639 49 1HB CYS 10 2HB CYS 10 1.996 -4.294 2.535 50 2HB CYS 10 1HB CYS 10 1.774 -3.814 0.859 51 H ASN 11 H ASN 11 0.926 -6.573 -0.813 52 HA ASN 11 HA ASN 11 2.576 -8.747 -0.026 53 1HB ASN 11 2HB ASN 11 1.168 -8.624 -2.125 54 2HB ASN 11 1HB ASN 11 2.379 -7.537 -2.793 55 1HD2 ASN 11 1HD2 ASN 11 3.978 -9.700 -0.854 56 2HD2 ASN 11 2HD2 ASN 11 4.409 -10.867 -2.051 57 H THR 12 H THR 12 3.245 -5.583 -1.438 58 HA THR 12 HA THR 12 6.062 -5.947 -1.623 59 HB THR 12 HB THR 12 4.667 -3.280 -1.443 60 HG1 THR 12 1HG THR 12 4.645 -3.688 -3.894 61 1HG2 THR 12 1HG2 THR 12 7.224 -3.567 -1.576 62 2HG2 THR 12 2HG2 THR 12 6.458 -2.456 -2.712 63 3HG2 THR 12 3HG2 THR 12 6.941 -4.068 -3.243 64 HA PRO 13 HA PRO 13 6.734 -5.409 2.788 65 1HB PRO 13 2HB PRO 13 9.569 -5.648 2.097 66 2HB PRO 13 1HB PRO 13 8.568 -6.705 3.094 67 1HG PRO 13 2HG PRO 13 9.467 -7.450 0.662 68 2HG PRO 13 1HG PRO 13 7.902 -7.987 1.302 69 1HD PRO 13 2HD PRO 13 8.497 -5.818 -0.678 70 2HD PRO 13 1HD PRO 13 7.202 -7.034 -0.694 71 H GLY 14 H GLY 14 7.184 -3.673 4.021 72 1HA GLY 14 2HA GLY 14 8.436 -1.758 4.646 73 2HA GLY 14 1HA GLY 14 8.968 -1.597 2.980 74 H CYS 15 H CYS 15 6.114 -2.049 2.113 75 HA CYS 15 HA CYS 15 5.409 0.713 2.016 76 1HB CYS 15 2HB CYS 15 3.947 -1.757 1.076 77 2HB CYS 15 1HB CYS 15 3.409 -0.109 0.765 78 H SER 16 H SER 16 4.138 1.839 3.284 79 HA SER 16 HA SER 16 2.909 0.618 5.587 80 1HB SER 16 2HB SER 16 4.075 2.837 5.675 81 2HB SER 16 1HB SER 16 2.807 3.501 4.648 82 HG SER 16 HG SER 16 2.785 3.353 7.244 83 H CYS 17 H CYS 17 0.764 0.202 5.838 84 HA CYS 17 HA CYS 17 -0.842 0.225 3.474 85 1HB CYS 17 2HB CYS 17 -1.057 -1.672 4.920 86 2HB CYS 17 1HB CYS 17 -1.433 -0.651 6.304 87 H THR 18 H THR 18 -1.320 2.276 2.888 88 HA THR 18 HA THR 18 -2.723 4.002 4.779 89 HB THR 18 HB THR 18 -2.039 4.611 1.891 90 HG1 THR 18 1HG THR 18 -0.429 4.454 4.113 91 1HG2 THR 18 1HG2 THR 18 -3.720 5.976 3.419 92 2HG2 THR 18 2HG2 THR 18 -2.594 6.798 2.338 93 3HG2 THR 18 3HG2 THR 18 -2.222 6.654 4.056 94 H TRP 19 H TRP 19 -4.254 2.193 4.793 95 HA TRP 19 HA TRP 19 -5.786 0.988 3.104 96 1HB TRP 19 2HB TRP 19 -6.134 1.234 5.617 97 2HB TRP 19 1HB TRP 19 -7.186 2.593 5.230 98 HD1 TRP 19 HD TRP 19 -6.910 -1.141 4.176 99 HE1 TRP 19 1HE TRP 19 -9.297 -2.089 3.981 100 HE3 TRP 19 3HE TRP 19 -9.549 3.104 5.255 101 HZ2 TRP 19 2HZ TRP 19 -11.946 -1.150 4.243 102 HZ3 TRP 19 3HZ TRP 19 -12.007 2.994 5.258 103 HH2 TRP 19 HH TRP 19 -13.179 0.910 4.763 104 HA PRO 20 HA PRO 20 -6.688 0.266 1.979 105 1HB PRO 20 2HB PRO 20 -7.976 -0.275 -0.289 106 2HB PRO 20 1HB PRO 20 -8.862 0.137 1.184 107 1HG PRO 20 2HG PRO 20 -8.451 1.735 -1.265 108 2HG PRO 20 1HG PRO 20 -9.729 1.856 -0.046 109 1HD PRO 20 2HD PRO 20 -7.288 3.410 -0.274 110 2HD PRO 20 1HD PRO 20 -8.636 3.626 0.862 111 H ILE 21 H ILE 21 -4.772 2.393 0.839 112 HA ILE 21 HA ILE 21 -3.652 0.683 -1.300 113 HB ILE 21 HB ILE 21 -3.526 3.703 -1.191 114 1HG1 ILE 21 2HG1 ILE 21 -5.009 1.891 -3.110 115 2HG1 ILE 21 1HG1 ILE 21 -5.758 2.813 -1.812 116 1HG2 ILE 21 1HG2 ILE 21 -2.226 1.661 -2.930 117 2HG2 ILE 21 2HG2 ILE 21 -1.570 3.157 -2.265 118 3HG2 ILE 21 3HG2 ILE 21 -2.687 3.214 -3.628 119 1HD1 ILE 21 1HD1 ILE 21 -6.101 4.363 -3.373 120 2HD1 ILE 21 2HD1 ILE 21 -4.913 3.654 -4.467 121 3HD1 ILE 21 3HD1 ILE 21 -4.389 4.741 -3.181 122 H CYS 22 H CYS 22 -1.562 0.093 -1.074 123 HA CYS 22 HA CYS 22 -0.181 0.844 1.339 124 1HB CYS 22 2HB CYS 22 0.837 -0.862 -0.936 125 2HB CYS 22 1HB CYS 22 1.437 -0.826 0.721 126 H THR 23 H THR 23 1.335 2.363 1.562 127 HA THR 23 HA THR 23 2.463 3.570 -0.899 128 HB THR 23 HB THR 23 2.531 5.726 0.288 129 HG1 THR 23 1HG THR 23 0.789 5.061 2.291 130 1HG2 THR 23 1HG2 THR 23 0.614 5.738 -0.961 131 2HG2 THR 23 2HG2 THR 23 -0.108 5.849 0.644 132 3HG2 THR 23 3HG2 THR 23 -0.033 4.293 -0.184 133 H ARG 24 H ARG 24 4.604 4.232 -0.858 134 HA ARG 24 HA ARG 24 6.226 3.027 1.253 135 1HB ARG 24 2HB ARG 24 6.664 3.702 -1.562 136 2HB ARG 24 1HB ARG 24 7.975 4.238 -0.523 137 1HG ARG 24 2HG ARG 24 6.965 1.444 -0.944 138 2HG ARG 24 1HG ARG 24 8.571 2.092 -1.277 139 1HD ARG 24 2HD ARG 24 7.312 1.597 1.417 140 2HD ARG 24 1HD ARG 24 8.693 0.763 0.714 141 HE ARG 24 HE ARG 24 8.718 3.231 2.159 142 1HH1 ARG 24 1HH1 ARG 24 10.377 1.482 -0.397 143 2HH1 ARG 24 2HH1 ARG 24 11.850 2.367 -0.203 144 1HH2 ARG 24 1HH2 ARG 24 10.605 4.378 2.418 145 2HH2 ARG 24 2HH2 ARG 24 11.990 4.033 1.417 146 H ASP 25 H ASP 25 5.998 4.369 2.945 147 HA ASP 25 HA ASP 25 6.273 6.164 4.288 148 1HB ASP 25 2HB ASP 25 8.218 7.044 2.137 149 2HB ASP 25 1HB ASP 25 8.085 7.770 3.734 150 H GLY 26 H GLY 26 4.113 6.154 2.499 151 1HA GLY 26 2HA GLY 26 2.401 7.800 2.399 152 2HA GLY 26 1HA GLY 26 3.639 9.042 2.339 153 H LEU 27 H LEU 27 5.012 7.238 0.216 154 HA LEU 27 HA LEU 27 3.629 8.487 -2.006 155 1HB LEU 27 2HB LEU 27 6.134 8.559 -1.675 156 2HB LEU 27 1HB LEU 27 6.159 6.855 -2.080 157 HG LEU 27 HG LEU 27 5.287 7.353 -4.313 158 1HD1 LEU 27 1HD1 LEU 27 4.301 9.640 -3.234 159 2HD1 LEU 27 2HD1 LEU 27 4.482 9.345 -4.964 160 3HD1 LEU 27 3HD1 LEU 27 5.720 10.246 -4.089 161 1HD2 LEU 27 1HD2 LEU 27 7.328 9.093 -4.801 162 2HD2 LEU 27 2HD2 LEU 27 7.503 7.345 -4.650 163 3HD2 LEU 27 3HD2 LEU 27 7.816 8.386 -3.261 164 HA PRO 28 HA PRO 28 1.514 4.574 -2.704 165 1HB PRO 28 2HB PRO 28 0.134 5.985 -4.851 166 2HB PRO 28 1HB PRO 28 -0.518 5.331 -3.347 167 1HG PRO 28 2HG PRO 28 -0.319 7.990 -3.821 168 2HG PRO 28 1HG PRO 28 -0.183 7.290 -2.197 169 1HD PRO 28 2HD PRO 28 1.984 8.208 -4.053 170 2HD PRO 28 1HD PRO 28 1.829 8.440 -2.297 171 H VAL 29 H VAL 29 4.073 4.743 -3.847 172 HA VAL 29 HA VAL 29 3.623 4.036 -6.663 173 HB VAL 29 HB VAL 29 6.093 4.178 -6.913 174 1HG1 VAL 29 1HG1 VAL 29 4.244 6.337 -6.440 175 2HG1 VAL 29 2HG1 VAL 29 5.523 6.195 -7.646 176 3HG1 VAL 29 3HG1 VAL 29 5.893 6.816 -6.037 177 1HG2 VAL 29 1HG2 VAL 29 6.434 3.772 -4.386 178 2HG2 VAL 29 2HG2 VAL 29 6.192 5.513 -4.232 179 3HG2 VAL 29 3HG2 VAL 29 7.517 4.890 -5.217 Start of MODEL 10 1 1H CYS 1 H CYS 1 3.312 2.155 -3.892 2 HA CYS 1 HA CYS 1 5.074 -0.096 -4.127 3 1HB CYS 1 2HB CYS 1 2.420 0.155 -2.697 4 2HB CYS 1 1HB CYS 1 3.595 -1.132 -2.485 5 H GLY 2 H GLY 2 2.080 0.961 -5.492 6 1HA GLY 2 2HA GLY 2 0.793 0.116 -7.192 7 2HA GLY 2 1HA GLY 2 2.116 -0.988 -7.534 8 H GLU 3 H GLU 3 0.332 -0.759 -4.509 9 HA GLU 3 HA GLU 3 -1.198 -3.139 -5.109 10 1HB GLU 3 2HB GLU 3 0.940 -4.052 -4.292 11 2HB GLU 3 1HB GLU 3 0.792 -3.089 -2.827 12 1HG GLU 3 2HG GLU 3 0.158 -5.445 -2.504 13 2HG GLU 3 1HG GLU 3 -1.155 -4.323 -2.148 14 H THR 4 H THR 4 -2.899 -3.502 -3.650 15 HA THR 4 HA THR 4 -3.548 -1.145 -2.005 16 HB THR 4 HB THR 4 -5.921 -1.883 -2.261 17 HG1 THR 4 1HG THR 4 -4.669 -3.958 -3.557 18 1HG2 THR 4 1HG2 THR 4 -4.285 -1.097 -4.659 19 2HG2 THR 4 2HG2 THR 4 -5.289 -0.078 -3.627 20 3HG2 THR 4 3HG2 THR 4 -6.042 -1.224 -4.735 21 H CYS 5 H CYS 5 -4.415 -1.448 0.053 22 HA CYS 5 HA CYS 5 -4.103 -4.165 1.113 23 1HB CYS 5 2HB CYS 5 -3.510 -3.174 3.272 24 2HB CYS 5 1HB CYS 5 -2.393 -2.687 2.007 25 H PHE 6 H PHE 6 -6.419 -3.861 0.052 26 HA PHE 6 HA PHE 6 -8.468 -2.596 1.445 27 1HB PHE 6 2HB PHE 6 -8.388 -5.029 -0.309 28 2HB PHE 6 1HB PHE 6 -9.877 -4.597 0.521 29 HD1 PHE 6 1HD PHE 6 -11.370 -3.654 -0.918 30 HD2 PHE 6 2HD PHE 6 -7.260 -2.620 -1.279 31 HE1 PHE 6 1HE PHE 6 -11.929 -2.079 -2.722 32 HE2 PHE 6 2HE PHE 6 -7.812 -1.040 -3.081 33 HZ PHE 6 HZ PHE 6 -10.150 -0.768 -3.806 34 H GLY 7 H GLY 7 -6.866 -5.663 2.052 35 1HA GLY 7 2HA GLY 7 -8.629 -6.108 4.364 36 2HA GLY 7 1HA GLY 7 -7.607 -7.326 3.614 37 H GLY 8 H GLY 8 -6.228 -4.211 4.051 38 1HA GLY 8 2HA GLY 8 -4.643 -3.401 5.505 39 2HA GLY 8 1HA GLY 8 -5.249 -4.541 6.699 40 H THR 9 H THR 9 -3.777 -5.080 3.518 41 HA THR 9 HA THR 9 -1.410 -6.171 4.764 42 HB THR 9 HB THR 9 -2.910 -8.103 4.754 43 HG1 THR 9 1HG THR 9 -1.210 -9.242 4.264 44 1HG2 THR 9 1HG2 THR 9 -3.772 -7.074 2.284 45 2HG2 THR 9 2HG2 THR 9 -4.333 -8.536 3.096 46 3HG2 THR 9 3HG2 THR 9 -3.011 -8.626 1.931 47 H CYS 10 H CYS 10 0.373 -6.149 3.436 48 HA CYS 10 HA CYS 10 -0.012 -5.314 0.648 49 1HB CYS 10 2HB CYS 10 1.941 -4.044 2.584 50 2HB CYS 10 1HB CYS 10 1.785 -3.654 0.876 51 H ASN 11 H ASN 11 1.211 -6.472 -0.721 52 HA ASN 11 HA ASN 11 3.028 -8.434 0.336 53 1HB ASN 11 2HB ASN 11 3.366 -9.050 -2.081 54 2HB ASN 11 1HB ASN 11 1.700 -9.137 -1.526 55 1HD2 ASN 11 1HD2 ASN 11 0.313 -8.413 -2.934 56 2HD2 ASN 11 2HD2 ASN 11 0.550 -7.125 -4.067 57 H THR 12 H THR 12 3.260 -5.301 -1.119 58 HA THR 12 HA THR 12 5.993 -5.417 -1.863 59 HB THR 12 HB THR 12 4.625 -2.864 -1.122 60 HG1 THR 12 1HG THR 12 3.900 -4.645 -3.205 61 1HG2 THR 12 1HG2 THR 12 5.762 -2.825 -3.706 62 2HG2 THR 12 2HG2 THR 12 6.904 -3.676 -2.664 63 3HG2 THR 12 3HG2 THR 12 6.374 -2.046 -2.247 64 HA PRO 13 HA PRO 13 7.570 -5.158 2.312 65 1HB PRO 13 2HB PRO 13 10.199 -4.954 1.648 66 2HB PRO 13 1HB PRO 13 9.308 -6.479 1.617 67 1HG PRO 13 2HG PRO 13 10.001 -4.642 -0.639 68 2HG PRO 13 1HG PRO 13 10.052 -6.414 -0.581 69 1HD PRO 13 2HD PRO 13 8.026 -5.044 -1.751 70 2HD PRO 13 1HD PRO 13 7.791 -6.616 -0.962 71 H GLY 14 H GLY 14 7.888 -3.536 3.661 72 1HA GLY 14 2HA GLY 14 8.515 -1.480 4.488 73 2HA GLY 14 1HA GLY 14 9.348 -1.170 2.974 74 H CYS 15 H CYS 15 5.988 -2.056 2.950 75 HA CYS 15 HA CYS 15 5.352 0.716 2.237 76 1HB CYS 15 2HB CYS 15 4.212 -1.887 1.245 77 2HB CYS 15 1HB CYS 15 3.389 -0.351 1.006 78 H SER 16 H SER 16 3.953 1.784 3.422 79 HA SER 16 HA SER 16 2.692 0.493 5.685 80 1HB SER 16 2HB SER 16 3.826 2.726 5.865 81 2HB SER 16 1HB SER 16 2.579 3.397 4.816 82 HG SER 16 HG SER 16 2.434 3.335 7.343 83 H CYS 17 H CYS 17 0.487 0.253 5.949 84 HA CYS 17 HA CYS 17 -1.027 0.231 3.501 85 1HB CYS 17 2HB CYS 17 -1.319 -1.676 4.908 86 2HB CYS 17 1HB CYS 17 -1.691 -0.671 6.304 87 H THR 18 H THR 18 -1.508 2.279 2.904 88 HA THR 18 HA THR 18 -2.923 4.007 4.786 89 HB THR 18 HB THR 18 -2.171 4.622 1.915 90 HG1 THR 18 1HG THR 18 -0.636 4.476 4.181 91 1HG2 THR 18 1HG2 THR 18 -2.180 6.912 3.570 92 2HG2 THR 18 2HG2 THR 18 -3.660 6.023 3.927 93 3HG2 THR 18 3HG2 THR 18 -3.304 6.514 2.271 94 H TRP 19 H TRP 19 -4.437 2.181 4.754 95 HA TRP 19 HA TRP 19 -5.959 1.009 3.032 96 1HB TRP 19 2HB TRP 19 -6.307 1.228 5.562 97 2HB TRP 19 1HB TRP 19 -7.399 2.554 5.172 98 HD1 TRP 19 HD TRP 19 -6.993 -1.175 4.153 99 HE1 TRP 19 1HE TRP 19 -9.346 -2.196 3.917 100 HE3 TRP 19 3HE TRP 19 -9.779 3.002 5.112 101 HZ2 TRP 19 2HZ TRP 19 -12.027 -1.334 4.105 102 HZ3 TRP 19 3HZ TRP 19 -12.232 2.819 5.060 103 HH2 TRP 19 HH TRP 19 -13.332 0.696 4.567 104 HA PRO 20 HA PRO 20 -6.856 0.314 1.890 105 1HB PRO 20 2HB PRO 20 -8.136 -0.176 -0.395 106 2HB PRO 20 1HB PRO 20 -9.028 0.198 1.085 107 1HG PRO 20 2HG PRO 20 -8.613 1.856 -1.324 108 2HG PRO 20 1HG PRO 20 -9.895 1.945 -0.105 109 1HD PRO 20 2HD PRO 20 -7.456 3.509 -0.289 110 2HD PRO 20 1HD PRO 20 -8.809 3.695 0.848 111 H ILE 21 H ILE 21 -4.914 2.442 0.837 112 HA ILE 21 HA ILE 21 -3.806 0.807 -1.367 113 HB ILE 21 HB ILE 21 -3.628 3.817 -1.131 114 1HG1 ILE 21 2HG1 ILE 21 -5.152 2.119 -3.121 115 2HG1 ILE 21 1HG1 ILE 21 -5.880 2.998 -1.782 116 1HG2 ILE 21 1HG2 ILE 21 -2.886 2.381 -3.614 117 2HG2 ILE 21 2HG2 ILE 21 -1.765 2.280 -2.257 118 3HG2 ILE 21 3HG2 ILE 21 -2.218 3.855 -2.912 119 1HD1 ILE 21 1HD1 ILE 21 -4.494 4.151 -4.187 120 2HD1 ILE 21 2HD1 ILE 21 -4.999 5.101 -2.789 121 3HD1 ILE 21 3HD1 ILE 21 -6.203 4.264 -3.767 122 H CYS 22 H CYS 22 -1.704 0.213 -1.189 123 HA CYS 22 HA CYS 22 -0.336 0.790 1.279 124 1HB CYS 22 2HB CYS 22 0.653 -0.750 -1.130 125 2HB CYS 22 1HB CYS 22 1.341 -0.783 0.491 126 H THR 23 H THR 23 1.282 2.208 1.619 127 HA THR 23 HA THR 23 2.460 3.567 -0.736 128 HB THR 23 HB THR 23 2.556 5.653 0.623 129 HG1 THR 23 1HG THR 23 0.610 4.990 2.400 130 1HG2 THR 23 1HG2 THR 23 -0.332 4.952 0.661 131 2HG2 THR 23 2HG2 THR 23 0.510 4.810 -0.883 132 3HG2 THR 23 3HG2 THR 23 0.484 6.354 -0.032 133 H ARG 24 H ARG 24 4.630 3.862 -0.684 134 HA ARG 24 HA ARG 24 6.060 2.788 1.636 135 1HB ARG 24 2HB ARG 24 6.646 1.992 -0.703 136 2HB ARG 24 1HB ARG 24 7.232 3.621 -1.029 137 1HG ARG 24 2HG ARG 24 8.658 3.257 1.101 138 2HG ARG 24 1HG ARG 24 8.333 1.550 0.814 139 1HD ARG 24 2HD ARG 24 9.399 1.615 -1.306 140 2HD ARG 24 1HD ARG 24 9.474 3.379 -1.287 141 HE ARG 24 HE ARG 24 11.381 1.620 -0.191 142 1HH1 ARG 24 1HH1 ARG 24 9.788 4.660 0.445 143 2HH1 ARG 24 2HH1 ARG 24 10.949 5.196 1.624 144 1HH2 ARG 24 1HH2 ARG 24 12.983 2.356 1.310 145 2HH2 ARG 24 2HH2 ARG 24 12.784 3.902 2.070 146 H ASP 25 H ASP 25 6.329 4.309 3.122 147 HA ASP 25 HA ASP 25 6.845 6.251 4.155 148 1HB ASP 25 2HB ASP 25 8.477 6.692 1.644 149 2HB ASP 25 1HB ASP 25 8.531 7.760 3.041 150 H GLY 26 H GLY 26 4.450 6.065 2.655 151 1HA GLY 26 2HA GLY 26 2.715 7.645 2.510 152 2HA GLY 26 1HA GLY 26 3.916 8.916 2.354 153 H LEU 27 H LEU 27 5.136 6.914 0.227 154 HA LEU 27 HA LEU 27 3.652 8.126 -1.961 155 1HB LEU 27 2HB LEU 27 6.291 6.682 -1.867 156 2HB LEU 27 1HB LEU 27 5.545 7.238 -3.355 157 HG LEU 27 HG LEU 27 6.268 9.058 -1.074 158 1HD1 LEU 27 1HD1 LEU 27 7.926 7.851 -3.127 159 2HD1 LEU 27 2HD1 LEU 27 8.392 8.780 -1.701 160 3HD1 LEU 27 3HD1 LEU 27 7.953 9.614 -3.193 161 1HD2 LEU 27 1HD2 LEU 27 5.821 9.832 -3.929 162 2HD2 LEU 27 2HD2 LEU 27 5.745 10.832 -2.478 163 3HD2 LEU 27 3HD2 LEU 27 4.466 9.664 -2.812 164 HA PRO 28 HA PRO 28 1.559 4.211 -2.540 165 1HB PRO 28 2HB PRO 28 -0.029 5.028 -4.570 166 2HB PRO 28 1HB PRO 28 -0.333 5.479 -2.889 167 1HG PRO 28 2HG PRO 28 0.977 7.062 -5.068 168 2HG PRO 28 1HG PRO 28 -0.209 7.590 -3.860 169 1HD PRO 28 2HD PRO 28 2.461 8.062 -3.621 170 2HD PRO 28 1HD PRO 28 1.387 7.852 -2.225 171 H VAL 29 H VAL 29 4.186 4.607 -3.686 172 HA VAL 29 HA VAL 29 3.942 3.801 -6.472 173 HB VAL 29 HB VAL 29 6.517 3.977 -4.954 174 1HG1 VAL 29 1HG1 VAL 29 7.526 3.808 -6.940 175 2HG1 VAL 29 2HG1 VAL 29 6.409 4.941 -7.701 176 3HG1 VAL 29 3HG1 VAL 29 5.965 3.242 -7.534 177 1HG2 VAL 29 1HG2 VAL 29 5.488 6.066 -4.473 178 2HG2 VAL 29 2HG2 VAL 29 4.938 6.244 -6.139 179 3HG2 VAL 29 3HG2 VAL 29 6.658 6.348 -5.762 Start of MODEL 11 1 1H CYS 1 H CYS 1 3.330 2.274 -3.983 2 HA CYS 1 HA CYS 1 5.208 0.142 -4.377 3 1HB CYS 1 2HB CYS 1 2.683 0.283 -2.719 4 2HB CYS 1 1HB CYS 1 3.868 -1.011 -2.659 5 H GLY 2 H GLY 2 2.093 1.021 -5.577 6 1HA GLY 2 2HA GLY 2 0.736 0.046 -7.159 7 2HA GLY 2 1HA GLY 2 2.089 -1.012 -7.546 8 H GLU 3 H GLU 3 0.412 -0.643 -4.476 9 HA GLU 3 HA GLU 3 -0.857 -3.244 -4.760 10 1HB GLU 3 2HB GLU 3 1.255 -3.877 -3.818 11 2HB GLU 3 1HB GLU 3 1.205 -2.557 -2.660 12 1HG GLU 3 2HG GLU 3 0.753 -4.614 -1.528 13 2HG GLU 3 1HG GLU 3 -0.716 -3.642 -1.556 14 H THR 4 H THR 4 -2.627 -3.511 -3.454 15 HA THR 4 HA THR 4 -3.449 -1.129 -1.924 16 HB THR 4 HB THR 4 -5.791 -1.900 -2.311 17 HG1 THR 4 1HG THR 4 -4.493 -3.995 -3.419 18 1HG2 THR 4 1HG2 THR 4 -5.763 -1.263 -4.815 19 2HG2 THR 4 2HG2 THR 4 -4.027 -1.055 -4.590 20 3HG2 THR 4 3HG2 THR 4 -5.160 -0.088 -3.647 21 H CYS 5 H CYS 5 -4.361 -1.454 0.096 22 HA CYS 5 HA CYS 5 -4.121 -4.195 1.111 23 1HB CYS 5 2HB CYS 5 -3.485 -3.261 3.289 24 2HB CYS 5 1HB CYS 5 -2.348 -2.822 2.022 25 H PHE 6 H PHE 6 -6.439 -3.795 0.090 26 HA PHE 6 HA PHE 6 -8.413 -2.489 1.571 27 1HB PHE 6 2HB PHE 6 -8.493 -4.885 -0.249 28 2HB PHE 6 1HB PHE 6 -9.942 -4.335 0.584 29 HD1 PHE 6 1HD PHE 6 -11.350 -3.138 -0.742 30 HD2 PHE 6 2HD PHE 6 -7.157 -2.690 -1.301 31 HE1 PHE 6 1HE PHE 6 -11.768 -1.503 -2.530 32 HE2 PHE 6 2HE PHE 6 -7.567 -1.051 -3.090 33 HZ PHE 6 HZ PHE 6 -9.875 -0.455 -3.706 34 H GLY 7 H GLY 7 -6.867 -5.601 2.031 35 1HA GLY 7 2HA GLY 7 -8.592 -6.101 4.364 36 2HA GLY 7 1HA GLY 7 -7.634 -7.318 3.532 37 H GLY 8 H GLY 8 -6.163 -4.258 4.076 38 1HA GLY 8 2HA GLY 8 -4.517 -3.552 5.513 39 2HA GLY 8 1HA GLY 8 -5.107 -4.740 6.667 40 H THR 9 H THR 9 -3.751 -5.187 3.418 41 HA THR 9 HA THR 9 -1.345 -6.321 4.542 42 HB THR 9 HB THR 9 -2.894 -8.234 4.546 43 HG1 THR 9 1HG THR 9 -1.332 -9.519 3.873 44 1HG2 THR 9 1HG2 THR 9 -3.863 -7.185 2.186 45 2HG2 THR 9 2HG2 THR 9 -4.249 -8.773 2.847 46 3HG2 THR 9 3HG2 THR 9 -2.959 -8.604 1.656 47 H CYS 10 H CYS 10 0.382 -6.296 3.138 48 HA CYS 10 HA CYS 10 -0.104 -5.365 0.391 49 1HB CYS 10 2HB CYS 10 2.036 -4.263 2.229 50 2HB CYS 10 1HB CYS 10 1.708 -3.752 0.578 51 H ASN 11 H ASN 11 1.073 -6.464 -1.105 52 HA ASN 11 HA ASN 11 2.675 -8.664 -0.302 53 1HB ASN 11 2HB ASN 11 2.968 -9.146 -2.599 54 2HB ASN 11 1HB ASN 11 1.367 -8.433 -2.486 55 1HD2 ASN 11 1HD2 ASN 11 0.897 -6.751 -3.735 56 2HD2 ASN 11 2HD2 ASN 11 2.043 -5.885 -4.711 57 H THR 12 H THR 12 3.410 -5.389 -1.292 58 HA THR 12 HA THR 12 6.245 -5.836 -1.450 59 HB THR 12 HB THR 12 4.921 -3.143 -1.246 60 HG1 THR 12 1HG THR 12 4.695 -5.070 -3.252 61 1HG2 THR 12 1HG2 THR 12 7.024 -3.606 -3.224 62 2HG2 THR 12 2HG2 THR 12 7.546 -3.906 -1.566 63 3HG2 THR 12 3HG2 THR 12 6.875 -2.336 -2.008 64 HA PRO 13 HA PRO 13 6.684 -5.380 2.996 65 1HB PRO 13 2HB PRO 13 9.353 -5.843 3.075 66 2HB PRO 13 1HB PRO 13 8.163 -7.138 2.901 67 1HG PRO 13 2HG PRO 13 9.840 -5.809 0.811 68 2HG PRO 13 1HG PRO 13 9.442 -7.527 1.004 69 1HD PRO 13 2HD PRO 13 8.183 -5.897 -0.777 70 2HD PRO 13 1HD PRO 13 7.397 -7.294 -0.017 71 H GLY 14 H GLY 14 7.079 -3.628 4.215 72 1HA GLY 14 2HA GLY 14 8.423 -1.768 4.890 73 2HA GLY 14 1HA GLY 14 8.986 -1.620 3.232 74 H CYS 15 H CYS 15 6.217 -1.991 2.226 75 HA CYS 15 HA CYS 15 5.508 0.771 2.185 76 1HB CYS 15 2HB CYS 15 4.110 -1.676 1.096 77 2HB CYS 15 1HB CYS 15 3.552 -0.027 0.830 78 H SER 16 H SER 16 4.169 1.849 3.433 79 HA SER 16 HA SER 16 2.879 0.544 5.650 80 1HB SER 16 2HB SER 16 4.013 2.764 5.856 81 2HB SER 16 1HB SER 16 2.778 3.454 4.803 82 HG SER 16 HG SER 16 2.631 3.343 7.344 83 H CYS 17 H CYS 17 0.744 0.102 5.843 84 HA CYS 17 HA CYS 17 -0.833 0.192 3.457 85 1HB CYS 17 2HB CYS 17 -1.092 -1.763 4.786 86 2HB CYS 17 1HB CYS 17 -1.395 -0.821 6.244 87 H THR 18 H THR 18 -1.295 2.275 2.952 88 HA THR 18 HA THR 18 -2.696 3.937 4.897 89 HB THR 18 HB THR 18 -2.036 4.632 2.023 90 HG1 THR 18 1HG THR 18 -0.400 4.389 4.223 91 1HG2 THR 18 1HG2 THR 18 -3.692 6.066 3.169 92 2HG2 THR 18 2HG2 THR 18 -2.199 6.935 2.808 93 3HG2 THR 18 3HG2 THR 18 -2.517 6.372 4.450 94 H TRP 19 H TRP 19 -4.242 2.142 4.873 95 HA TRP 19 HA TRP 19 -5.798 1.004 3.157 96 1HB TRP 19 2HB TRP 19 -6.116 1.192 5.690 97 2HB TRP 19 1HB TRP 19 -7.188 2.542 5.334 98 HD1 TRP 19 HD TRP 19 -6.864 -1.184 4.277 99 HE1 TRP 19 1HE TRP 19 -9.238 -2.154 4.044 100 HE3 TRP 19 3HE TRP 19 -9.560 3.043 5.279 101 HZ2 TRP 19 2HZ TRP 19 -11.900 -1.239 4.251 102 HZ3 TRP 19 3HZ TRP 19 -12.017 2.911 5.237 103 HH2 TRP 19 HH TRP 19 -13.161 0.814 4.734 104 HA PRO 20 HA PRO 20 -6.720 0.327 2.021 105 1HB PRO 20 2HB PRO 20 -8.041 -0.130 -0.247 106 2HB PRO 20 1HB PRO 20 -8.904 0.243 1.250 107 1HG PRO 20 2HG PRO 20 -8.506 1.915 -1.153 108 2HG PRO 20 1HG PRO 20 -9.769 2.009 0.085 109 1HD PRO 20 2HD PRO 20 -7.315 3.547 -0.121 110 2HD PRO 20 1HD PRO 20 -8.649 3.738 1.036 111 H ILE 21 H ILE 21 -4.795 2.470 0.931 112 HA ILE 21 HA ILE 21 -3.710 0.819 -1.271 113 HB ILE 21 HB ILE 21 -3.553 3.833 -1.081 114 1HG1 ILE 21 2HG1 ILE 21 -5.095 2.095 -3.023 115 2HG1 ILE 21 1HG1 ILE 21 -5.808 2.989 -1.685 116 1HG2 ILE 21 1HG2 ILE 21 -1.579 3.035 -2.130 117 2HG2 ILE 21 2HG2 ILE 21 -2.643 3.601 -3.418 118 3HG2 ILE 21 3HG2 ILE 21 -2.484 1.873 -3.101 119 1HD1 ILE 21 1HD1 ILE 21 -5.144 3.873 -4.335 120 2HD1 ILE 21 2HD1 ILE 21 -4.350 4.876 -3.121 121 3HD1 ILE 21 3HD1 ILE 21 -6.102 4.672 -3.088 122 H CYS 22 H CYS 22 -1.622 0.212 -1.084 123 HA CYS 22 HA CYS 22 -0.214 0.874 1.339 124 1HB CYS 22 2HB CYS 22 0.778 -0.745 -1.010 125 2HB CYS 22 1HB CYS 22 1.390 -0.775 0.642 126 H THR 23 H THR 23 1.319 2.374 1.603 127 HA THR 23 HA THR 23 2.432 3.647 -0.829 128 HB THR 23 HB THR 23 2.575 5.756 0.436 129 HG1 THR 23 1HG THR 23 0.850 5.030 2.447 130 1HG2 THR 23 1HG2 THR 23 0.609 5.483 -0.911 131 2HG2 THR 23 2HG2 THR 23 0.117 6.216 0.617 132 3HG2 THR 23 3HG2 THR 23 -0.170 4.499 0.329 133 H ARG 24 H ARG 24 4.574 4.181 -0.837 134 HA ARG 24 HA ARG 24 6.222 2.899 1.217 135 1HB ARG 24 2HB ARG 24 6.611 2.425 -1.239 136 2HB ARG 24 1HB ARG 24 7.099 4.105 -1.418 137 1HG ARG 24 2HG ARG 24 8.915 3.737 0.189 138 2HG ARG 24 1HG ARG 24 8.437 2.042 0.320 139 1HD ARG 24 2HD ARG 24 10.281 2.217 -1.213 140 2HD ARG 24 1HD ARG 24 8.825 1.793 -2.113 141 HE ARG 24 HE ARG 24 9.189 4.602 -2.078 142 1HH1 ARG 24 1HH1 ARG 24 10.418 1.683 -3.559 143 2HH1 ARG 24 2HH1 ARG 24 10.992 2.485 -4.984 144 1HH2 ARG 24 1HH2 ARG 24 9.946 5.678 -3.956 145 2HH2 ARG 24 2HH2 ARG 24 10.723 4.769 -5.210 146 H ASP 25 H ASP 25 5.806 4.463 2.782 147 HA ASP 25 HA ASP 25 6.280 6.272 4.045 148 1HB ASP 25 2HB ASP 25 8.634 5.886 3.165 149 2HB ASP 25 1HB ASP 25 8.294 7.120 1.956 150 H GLY 26 H GLY 26 4.065 6.407 2.617 151 1HA GLY 26 2HA GLY 26 2.528 8.155 2.319 152 2HA GLY 26 1HA GLY 26 3.866 9.256 2.049 153 H LEU 27 H LEU 27 5.013 7.289 0.027 154 HA LEU 27 HA LEU 27 3.426 8.303 -2.184 155 1HB LEU 27 2HB LEU 27 6.130 6.991 -2.061 156 2HB LEU 27 1HB LEU 27 5.333 7.400 -3.569 157 HG LEU 27 HG LEU 27 6.001 9.411 -1.434 158 1HD1 LEU 27 1HD1 LEU 27 8.100 8.694 -2.169 159 2HD1 LEU 27 2HD1 LEU 27 7.754 10.099 -3.176 160 3HD1 LEU 27 3HD1 LEU 27 7.543 8.474 -3.829 161 1HD2 LEU 27 1HD2 LEU 27 5.795 10.856 -3.632 162 2HD2 LEU 27 2HD2 LEU 27 4.380 10.442 -2.664 163 3HD2 LEU 27 3HD2 LEU 27 4.749 9.525 -4.124 164 HA PRO 28 HA PRO 28 1.511 4.258 -2.533 165 1HB PRO 28 2HB PRO 28 -0.246 4.946 -4.466 166 2HB PRO 28 1HB PRO 28 -0.470 5.416 -2.777 167 1HG PRO 28 2HG PRO 28 0.608 7.021 -5.064 168 2HG PRO 28 1HG PRO 28 -0.530 7.508 -3.794 169 1HD PRO 28 2HD PRO 28 2.123 8.130 -3.737 170 2HD PRO 28 1HD PRO 28 1.148 7.903 -2.272 171 H VAL 29 H VAL 29 4.026 4.804 -3.822 172 HA VAL 29 HA VAL 29 3.707 3.986 -6.594 173 HB VAL 29 HB VAL 29 6.171 4.169 -6.715 174 1HG1 VAL 29 1HG1 VAL 29 5.315 6.690 -5.397 175 2HG1 VAL 29 2HG1 VAL 29 4.409 6.143 -6.808 176 3HG1 VAL 29 3HG1 VAL 29 6.144 6.439 -6.935 177 1HG2 VAL 29 1HG2 VAL 29 6.501 5.535 -4.169 178 2HG2 VAL 29 2HG2 VAL 29 7.500 4.293 -4.923 179 3HG2 VAL 29 3HG2 VAL 29 6.087 3.832 -3.975 Start of MODEL 12 1 1H CYS 1 H CYS 1 3.167 2.411 -4.079 2 HA CYS 1 HA CYS 1 5.081 0.328 -4.548 3 1HB CYS 1 2HB CYS 1 2.599 0.435 -2.829 4 2HB CYS 1 1HB CYS 1 3.731 -0.905 -2.858 5 H GLY 2 H GLY 2 1.875 1.109 -5.617 6 1HA GLY 2 2HA GLY 2 0.510 0.111 -7.182 7 2HA GLY 2 1HA GLY 2 1.889 -0.885 -7.638 8 H GLU 3 H GLU 3 0.551 -0.666 -4.439 9 HA GLU 3 HA GLU 3 -0.589 -3.356 -4.655 10 1HB GLU 3 2HB GLU 3 1.570 -3.679 -3.659 11 2HB GLU 3 1HB GLU 3 1.342 -2.317 -2.575 12 1HG GLU 3 2HG GLU 3 1.126 -4.351 -1.341 13 2HG GLU 3 1HG GLU 3 -0.447 -3.565 -1.431 14 H THR 4 H THR 4 -2.361 -3.734 -3.357 15 HA THR 4 HA THR 4 -3.465 -1.351 -2.014 16 HB THR 4 HB THR 4 -5.703 -2.316 -2.427 17 HG1 THR 4 1HG THR 4 -4.182 -4.414 -3.320 18 1HG2 THR 4 1HG2 THR 4 -4.883 -0.633 -3.957 19 2HG2 THR 4 2HG2 THR 4 -5.766 -1.858 -4.868 20 3HG2 THR 4 3HG2 THR 4 -4.002 -1.850 -4.880 21 H CYS 5 H CYS 5 -4.463 -1.616 -0.020 22 HA CYS 5 HA CYS 5 -4.094 -4.248 1.223 23 1HB CYS 5 2HB CYS 5 -3.501 -3.145 3.330 24 2HB CYS 5 1HB CYS 5 -2.360 -2.762 2.049 25 H PHE 6 H PHE 6 -6.403 -3.927 0.122 26 HA PHE 6 HA PHE 6 -8.417 -2.556 1.482 27 1HB PHE 6 2HB PHE 6 -8.447 -5.067 -0.179 28 2HB PHE 6 1HB PHE 6 -9.916 -4.456 0.572 29 HD1 PHE 6 1HD PHE 6 -11.281 -3.376 -0.894 30 HD2 PHE 6 2HD PHE 6 -7.071 -2.929 -1.325 31 HE1 PHE 6 1HE PHE 6 -11.641 -1.870 -2.806 32 HE2 PHE 6 2HE PHE 6 -7.425 -1.420 -3.236 33 HZ PHE 6 HZ PHE 6 -9.711 -0.890 -3.978 34 H GLY 7 H GLY 7 -6.849 -5.610 2.173 35 1HA GLY 7 2HA GLY 7 -8.635 -5.994 4.482 36 2HA GLY 7 1HA GLY 7 -7.630 -7.244 3.757 37 H GLY 8 H GLY 8 -6.216 -4.136 4.135 38 1HA GLY 8 2HA GLY 8 -4.627 -3.308 5.572 39 2HA GLY 8 1HA GLY 8 -5.236 -4.423 6.786 40 H THR 9 H THR 9 -3.776 -5.062 3.614 41 HA THR 9 HA THR 9 -1.393 -6.095 4.880 42 HB THR 9 HB THR 9 -2.848 -8.045 4.972 43 HG1 THR 9 1HG THR 9 -1.208 -8.714 2.811 44 1HG2 THR 9 1HG2 THR 9 -3.839 -7.101 2.525 45 2HG2 THR 9 2HG2 THR 9 -4.323 -8.562 3.384 46 3HG2 THR 9 3HG2 THR 9 -3.054 -8.638 2.163 47 H CYS 10 H CYS 10 0.379 -6.134 3.527 48 HA CYS 10 HA CYS 10 -0.047 -5.390 0.716 49 1HB CYS 10 2HB CYS 10 2.043 -4.132 2.513 50 2HB CYS 10 1HB CYS 10 1.724 -3.734 0.830 51 H ASN 11 H ASN 11 1.103 -6.642 -0.642 52 HA ASN 11 HA ASN 11 2.828 -8.675 0.393 53 1HB ASN 11 2HB ASN 11 2.138 -7.808 -2.415 54 2HB ASN 11 1HB ASN 11 3.251 -9.129 -2.076 55 1HD2 ASN 11 1HD2 ASN 11 0.023 -8.182 -2.413 56 2HD2 ASN 11 2HD2 ASN 11 -0.710 -9.688 -1.960 57 H THR 12 H THR 12 3.285 -5.564 -1.145 58 HA THR 12 HA THR 12 6.089 -5.853 -1.593 59 HB THR 12 HB THR 12 4.662 -3.221 -1.274 60 HG1 THR 12 1HG THR 12 4.249 -5.213 -3.156 61 1HG2 THR 12 1HG2 THR 12 6.308 -2.361 -2.689 62 2HG2 THR 12 2HG2 THR 12 6.729 -3.953 -3.324 63 3HG2 THR 12 3HG2 THR 12 7.205 -3.501 -1.686 64 HA PRO 13 HA PRO 13 7.142 -5.302 2.732 65 1HB PRO 13 2HB PRO 13 9.838 -5.448 2.395 66 2HB PRO 13 1HB PRO 13 8.786 -6.867 2.426 67 1HG PRO 13 2HG PRO 13 9.940 -5.414 0.079 68 2HG PRO 13 1HG PRO 13 9.784 -7.159 0.350 69 1HD PRO 13 2HD PRO 13 8.075 -5.769 -1.224 70 2HD PRO 13 1HD PRO 13 7.570 -7.187 -0.284 71 H GLY 14 H GLY 14 7.467 -3.521 3.904 72 1HA GLY 14 2HA GLY 14 8.592 -1.519 4.485 73 2HA GLY 14 1HA GLY 14 9.095 -1.347 2.811 74 H CYS 15 H CYS 15 6.241 -2.001 2.009 75 HA CYS 15 HA CYS 15 5.370 0.733 1.957 76 1HB CYS 15 2HB CYS 15 4.093 -1.788 0.886 77 2HB CYS 15 1HB CYS 15 3.469 -0.162 0.618 78 H SER 16 H SER 16 4.156 1.691 3.385 79 HA SER 16 HA SER 16 2.870 0.205 5.498 80 1HB SER 16 2HB SER 16 4.119 2.344 5.904 81 2HB SER 16 1HB SER 16 2.877 3.193 4.985 82 HG SER 16 HG SER 16 2.784 2.882 7.473 83 H CYS 17 H CYS 17 0.691 -0.061 5.745 84 HA CYS 17 HA CYS 17 -0.901 0.204 3.397 85 1HB CYS 17 2HB CYS 17 -1.294 -1.708 4.780 86 2HB CYS 17 1HB CYS 17 -1.575 -0.701 6.197 87 H THR 18 H THR 18 -1.779 1.985 2.754 88 HA THR 18 HA THR 18 -2.879 3.870 4.717 89 HB THR 18 HB THR 18 -2.091 4.530 1.868 90 HG1 THR 18 1HG THR 18 -0.519 4.129 4.057 91 1HG2 THR 18 1HG2 THR 18 -2.080 6.578 3.992 92 2HG2 THR 18 2HG2 THR 18 -3.667 5.931 3.577 93 3HG2 THR 18 3HG2 THR 18 -2.664 6.673 2.331 94 H TRP 19 H TRP 19 -4.455 2.096 4.610 95 HA TRP 19 HA TRP 19 -5.998 0.986 2.912 96 1HB TRP 19 2HB TRP 19 -6.408 1.342 5.427 97 2HB TRP 19 1HB TRP 19 -7.460 2.661 4.927 98 HD1 TRP 19 HD TRP 19 -7.078 -1.122 4.118 99 HE1 TRP 19 1HE TRP 19 -9.435 -2.118 3.840 100 HE3 TRP 19 3HE TRP 19 -9.830 3.141 4.748 101 HZ2 TRP 19 2HZ TRP 19 -12.108 -1.208 3.876 102 HZ3 TRP 19 3HZ TRP 19 -12.282 2.992 4.607 103 HH2 TRP 19 HH TRP 19 -13.396 0.861 4.179 104 HA PRO 20 HA PRO 20 -6.784 0.295 1.714 105 1HB PRO 20 2HB PRO 20 -7.957 -0.222 -0.619 106 2HB PRO 20 1HB PRO 20 -8.917 0.194 0.804 107 1HG PRO 20 2HG PRO 20 -8.356 1.798 -1.611 108 2HG PRO 20 1HG PRO 20 -9.700 1.925 -0.466 109 1HD PRO 20 2HD PRO 20 -7.234 3.458 -0.545 110 2HD PRO 20 1HD PRO 20 -8.645 3.681 0.511 111 H ILE 21 H ILE 21 -4.894 2.518 0.584 112 HA ILE 21 HA ILE 21 -3.648 0.834 -1.510 113 HB ILE 21 HB ILE 21 -3.441 3.838 -1.229 114 1HG1 ILE 21 2HG1 ILE 21 -5.688 3.128 -1.959 115 2HG1 ILE 21 1HG1 ILE 21 -4.824 3.974 -3.237 116 1HG2 ILE 21 1HG2 ILE 21 -2.700 2.845 -3.801 117 2HG2 ILE 21 2HG2 ILE 21 -1.779 1.996 -2.561 118 3HG2 ILE 21 3HG2 ILE 21 -1.735 3.757 -2.640 119 1HD1 ILE 21 1HD1 ILE 21 -6.049 2.056 -4.092 120 2HD1 ILE 21 2HD1 ILE 21 -5.148 0.990 -3.013 121 3HD1 ILE 21 3HD1 ILE 21 -4.310 1.850 -4.306 122 H CYS 22 H CYS 22 -1.567 0.198 -1.204 123 HA CYS 22 HA CYS 22 -0.289 0.880 1.300 124 1HB CYS 22 2HB CYS 22 0.752 -0.839 -0.962 125 2HB CYS 22 1HB CYS 22 1.373 -0.781 0.685 126 H THR 23 H THR 23 1.232 2.395 1.586 127 HA THR 23 HA THR 23 2.387 3.639 -0.836 128 HB THR 23 HB THR 23 2.607 5.714 0.480 129 HG1 THR 23 1HG THR 23 0.878 4.928 2.484 130 1HG2 THR 23 1HG2 THR 23 0.022 6.006 0.883 131 2HG2 THR 23 2HG2 THR 23 -0.064 4.443 0.070 132 3HG2 THR 23 3HG2 THR 23 0.663 5.824 -0.750 133 H ARG 24 H ARG 24 4.547 4.180 -0.855 134 HA ARG 24 HA ARG 24 6.214 2.706 1.027 135 1HB ARG 24 2HB ARG 24 6.595 2.603 -1.475 136 2HB ARG 24 1HB ARG 24 7.068 4.295 -1.406 137 1HG ARG 24 2HG ARG 24 9.048 2.980 -1.411 138 2HG ARG 24 1HG ARG 24 8.856 3.656 0.207 139 1HD ARG 24 2HD ARG 24 7.621 1.397 0.679 140 2HD ARG 24 1HD ARG 24 8.524 0.837 -0.727 141 HE ARG 24 HE ARG 24 10.396 0.774 0.572 142 1HH1 ARG 24 1HH1 ARG 24 8.023 2.791 2.116 143 2HH1 ARG 24 2HH1 ARG 24 9.006 3.180 3.495 144 1HH2 ARG 24 1HH2 ARG 24 11.727 1.243 2.415 145 2HH2 ARG 24 2HH2 ARG 24 11.110 2.280 3.660 146 H ASP 25 H ASP 25 5.828 4.013 2.833 147 HA ASP 25 HA ASP 25 6.234 5.657 4.327 148 1HB ASP 25 2HB ASP 25 8.517 5.955 2.449 149 2HB ASP 25 1HB ASP 25 8.192 7.317 3.514 150 H GLY 26 H GLY 26 4.135 6.019 2.622 151 1HA GLY 26 2HA GLY 26 2.663 7.891 2.614 152 2HA GLY 26 1HA GLY 26 4.057 8.949 2.495 153 H LEU 27 H LEU 27 5.148 7.128 0.299 154 HA LEU 27 HA LEU 27 3.693 8.465 -1.834 155 1HB LEU 27 2HB LEU 27 6.210 8.520 -1.614 156 2HB LEU 27 1HB LEU 27 6.209 6.825 -2.057 157 HG LEU 27 HG LEU 27 5.242 7.375 -4.236 158 1HD1 LEU 27 1HD1 LEU 27 5.381 10.218 -3.244 159 2HD1 LEU 27 2HD1 LEU 27 3.930 9.312 -3.672 160 3HD1 LEU 27 3HD1 LEU 27 5.096 9.752 -4.921 161 1HD2 LEU 27 1HD2 LEU 27 7.180 8.417 -5.199 162 2HD2 LEU 27 2HD2 LEU 27 7.701 7.361 -3.886 163 3HD2 LEU 27 3HD2 LEU 27 7.636 9.106 -3.640 164 HA PRO 28 HA PRO 28 1.538 4.556 -2.481 165 1HB PRO 28 2HB PRO 28 -0.258 5.506 -4.263 166 2HB PRO 28 1HB PRO 28 -0.390 5.798 -2.526 167 1HG PRO 28 2HG PRO 28 0.671 7.595 -4.673 168 2HG PRO 28 1HG PRO 28 -0.401 7.987 -3.315 169 1HD PRO 28 2HD PRO 28 2.262 8.509 -3.286 170 2HD PRO 28 1HD PRO 28 1.338 8.129 -1.818 171 H VAL 29 H VAL 29 4.005 4.767 -3.795 172 HA VAL 29 HA VAL 29 3.354 4.160 -6.594 173 HB VAL 29 HB VAL 29 5.789 4.345 -7.030 174 1HG1 VAL 29 1HG1 VAL 29 4.345 6.254 -7.414 175 2HG1 VAL 29 2HG1 VAL 29 5.912 6.790 -6.806 176 3HG1 VAL 29 3HG1 VAL 29 4.516 6.749 -5.730 177 1HG2 VAL 29 1HG2 VAL 29 5.933 4.269 -4.191 178 2HG2 VAL 29 2HG2 VAL 29 6.591 5.811 -4.736 179 3HG2 VAL 29 3HG2 VAL 29 7.254 4.301 -5.360 Start of MODEL 13 1 1H CYS 1 H CYS 1 3.150 2.538 -4.041 2 HA CYS 1 HA CYS 1 5.171 0.524 -4.394 3 1HB CYS 1 2HB CYS 1 2.727 0.760 -2.666 4 2HB CYS 1 1HB CYS 1 3.620 -0.747 -2.787 5 H GLY 2 H GLY 2 1.999 1.202 -5.600 6 1HA GLY 2 2HA GLY 2 0.717 0.132 -7.188 7 2HA GLY 2 1HA GLY 2 2.144 -0.825 -7.578 8 H GLU 3 H GLU 3 0.566 -0.583 -4.469 9 HA GLU 3 HA GLU 3 -0.503 -3.290 -4.700 10 1HB GLU 3 2HB GLU 3 1.662 -3.641 -3.710 11 2HB GLU 3 1HB GLU 3 1.431 -2.305 -2.594 12 1HG GLU 3 2HG GLU 3 1.210 -4.379 -1.420 13 2HG GLU 3 1HG GLU 3 -0.355 -3.576 -1.480 14 H THR 4 H THR 4 -2.272 -3.679 -3.383 15 HA THR 4 HA THR 4 -3.351 -1.299 -2.011 16 HB THR 4 HB THR 4 -5.604 -2.219 -2.457 17 HG1 THR 4 1HG THR 4 -4.112 -4.325 -3.376 18 1HG2 THR 4 1HG2 THR 4 -5.753 -1.159 -4.457 19 2HG2 THR 4 2HG2 THR 4 -4.428 -2.082 -5.167 20 3HG2 THR 4 3HG2 THR 4 -4.082 -0.722 -4.099 21 H CYS 5 H CYS 5 -4.389 -1.590 -0.034 22 HA CYS 5 HA CYS 5 -4.078 -4.246 1.164 23 1HB CYS 5 2HB CYS 5 -3.475 -3.200 3.295 24 2HB CYS 5 1HB CYS 5 -2.317 -2.815 2.030 25 H PHE 6 H PHE 6 -6.364 -3.901 0.068 26 HA PHE 6 HA PHE 6 -8.368 -2.495 1.412 27 1HB PHE 6 2HB PHE 6 -8.424 -4.996 -0.264 28 2HB PHE 6 1HB PHE 6 -9.889 -4.366 0.478 29 HD1 PHE 6 1HD PHE 6 -7.004 -2.900 -1.405 30 HD2 PHE 6 2HD PHE 6 -11.224 -3.227 -0.970 31 HE1 PHE 6 1HE PHE 6 -7.316 -1.365 -3.302 32 HE2 PHE 6 2HE PHE 6 -11.542 -1.695 -2.868 33 HZ PHE 6 HZ PHE 6 -9.587 -0.761 -4.037 34 H GLY 7 H GLY 7 -6.844 -5.567 2.104 35 1HA GLY 7 2HA GLY 7 -8.664 -5.966 4.380 36 2HA GLY 7 1HA GLY 7 -7.627 -7.201 3.677 37 H GLY 8 H GLY 8 -6.244 -4.091 4.062 38 1HA GLY 8 2HA GLY 8 -4.693 -3.236 5.526 39 2HA GLY 8 1HA GLY 8 -5.321 -4.341 6.739 40 H THR 9 H THR 9 -3.837 -5.071 3.606 41 HA THR 9 HA THR 9 -1.441 -6.019 4.907 42 HB THR 9 HB THR 9 -2.933 -7.960 5.096 43 HG1 THR 9 1HG THR 9 -1.409 -9.358 4.429 44 1HG2 THR 9 1HG2 THR 9 -3.390 -7.386 2.231 45 2HG2 THR 9 2HG2 THR 9 -4.479 -8.067 3.439 46 3HG2 THR 9 3HG2 THR 9 -3.259 -9.087 2.678 47 H CYS 10 H CYS 10 0.319 -6.143 3.535 48 HA CYS 10 HA CYS 10 -0.139 -5.481 0.705 49 1HB CYS 10 2HB CYS 10 2.041 -4.265 2.423 50 2HB CYS 10 1HB CYS 10 1.688 -3.886 0.742 51 H ASN 11 H ASN 11 0.979 -6.768 -0.659 52 HA ASN 11 HA ASN 11 2.586 -8.888 0.379 53 1HB ASN 11 2HB ASN 11 2.035 -7.949 -2.440 54 2HB ASN 11 1HB ASN 11 3.028 -9.355 -2.073 55 1HD2 ASN 11 1HD2 ASN 11 -0.101 -8.153 -2.509 56 2HD2 ASN 11 2HD2 ASN 11 -0.966 -9.598 -2.091 57 H THR 12 H THR 12 3.245 -5.803 -1.142 58 HA THR 12 HA THR 12 6.058 -6.275 -1.450 59 HB THR 12 HB THR 12 4.671 -3.592 -1.436 60 HG1 THR 12 1HG THR 12 4.155 -5.616 -3.040 61 1HG2 THR 12 1HG2 THR 12 7.249 -3.882 -1.452 62 2HG2 THR 12 2HG2 THR 12 6.507 -2.792 -2.624 63 3HG2 THR 12 3HG2 THR 12 7.015 -4.406 -3.120 64 HA PRO 13 HA PRO 13 6.896 -5.484 2.893 65 1HB PRO 13 2HB PRO 13 9.699 -5.790 2.078 66 2HB PRO 13 1HB PRO 13 8.751 -6.754 3.213 67 1HG PRO 13 2HG PRO 13 9.504 -7.711 0.813 68 2HG PRO 13 1HG PRO 13 7.962 -8.161 1.566 69 1HD PRO 13 2HD PRO 13 8.499 -6.172 -0.610 70 2HD PRO 13 1HD PRO 13 7.182 -7.356 -0.466 71 H GLY 14 H GLY 14 7.418 -3.674 3.989 72 1HA GLY 14 2HA GLY 14 8.714 -1.725 4.412 73 2HA GLY 14 1HA GLY 14 9.121 -1.662 2.703 74 H CYS 15 H CYS 15 6.297 -2.174 1.979 75 HA CYS 15 HA CYS 15 5.481 0.571 1.904 76 1HB CYS 15 2HB CYS 15 4.129 -1.944 0.917 77 2HB CYS 15 1HB CYS 15 3.536 -0.313 0.619 78 H SER 16 H SER 16 4.209 1.598 3.258 79 HA SER 16 HA SER 16 2.982 0.172 5.461 80 1HB SER 16 2HB SER 16 2.973 3.143 4.878 81 2HB SER 16 1HB SER 16 2.642 2.358 6.424 82 HG SER 16 HG SER 16 5.032 1.565 5.493 83 H CYS 17 H CYS 17 0.823 -0.168 5.693 84 HA CYS 17 HA CYS 17 -0.817 0.149 3.390 85 1HB CYS 17 2HB CYS 17 -1.182 -1.789 4.743 86 2HB CYS 17 1HB CYS 17 -1.442 -0.808 6.182 87 H THR 18 H THR 18 -1.781 1.898 2.796 88 HA THR 18 HA THR 18 -2.834 3.756 4.811 89 HB THR 18 HB THR 18 -2.072 4.472 1.967 90 HG1 THR 18 1HG THR 18 -0.492 4.070 4.151 91 1HG2 THR 18 1HG2 THR 18 -2.665 6.605 2.461 92 2HG2 THR 18 2HG2 THR 18 -2.094 6.487 4.126 93 3HG2 THR 18 3HG2 THR 18 -3.669 5.828 3.686 94 H TRP 19 H TRP 19 -4.411 1.995 4.698 95 HA TRP 19 HA TRP 19 -5.971 0.899 3.008 96 1HB TRP 19 2HB TRP 19 -6.361 1.218 5.521 97 2HB TRP 19 1HB TRP 19 -7.390 2.569 5.060 98 HD1 TRP 19 HD TRP 19 -7.102 -1.176 4.046 99 HE1 TRP 19 1HE TRP 19 -9.486 -2.126 3.837 100 HE3 TRP 19 3HE TRP 19 -9.751 3.066 5.109 101 HZ2 TRP 19 2HZ TRP 19 -12.139 -1.190 4.083 102 HZ3 TRP 19 3HZ TRP 19 -12.210 2.954 5.097 103 HH2 TRP 19 HH TRP 19 -13.376 0.869 4.595 104 HA PRO 20 HA PRO 20 -6.728 0.225 1.782 105 1HB PRO 20 2HB PRO 20 -7.919 -0.264 -0.547 106 2HB PRO 20 1HB PRO 20 -8.871 0.122 0.890 107 1HG PRO 20 2HG PRO 20 -8.344 1.766 -1.506 108 2HG PRO 20 1HG PRO 20 -9.674 1.872 -0.342 109 1HD PRO 20 2HD PRO 20 -7.209 3.409 -0.429 110 2HD PRO 20 1HD PRO 20 -8.613 3.623 0.637 111 H ILE 21 H ILE 21 -4.848 2.464 0.689 112 HA ILE 21 HA ILE 21 -3.621 0.830 -1.456 113 HB ILE 21 HB ILE 21 -3.398 3.826 -1.116 114 1HG1 ILE 21 2HG1 ILE 21 -5.669 3.155 -1.806 115 2HG1 ILE 21 1HG1 ILE 21 -4.826 4.020 -3.086 116 1HG2 ILE 21 1HG2 ILE 21 -2.020 3.895 -2.934 117 2HG2 ILE 21 2HG2 ILE 21 -2.672 2.411 -3.626 118 3HG2 ILE 21 3HG2 ILE 21 -1.554 2.330 -2.264 119 1HD1 ILE 21 1HD1 ILE 21 -6.066 2.163 -3.995 120 2HD1 ILE 21 2HD1 ILE 21 -5.234 1.045 -2.914 121 3HD1 ILE 21 3HD1 ILE 21 -4.335 1.880 -4.180 122 H CYS 22 H CYS 22 -1.518 0.216 -1.203 123 HA CYS 22 HA CYS 22 -0.228 0.851 1.313 124 1HB CYS 22 2HB CYS 22 0.817 -0.821 -0.983 125 2HB CYS 22 1HB CYS 22 1.430 -0.797 0.669 126 H THR 23 H THR 23 1.229 2.417 1.607 127 HA THR 23 HA THR 23 2.370 3.710 -0.795 128 HB THR 23 HB THR 23 2.617 5.743 0.608 129 HG1 THR 23 1HG THR 23 0.850 4.914 2.551 130 1HG2 THR 23 1HG2 THR 23 0.075 6.122 0.923 131 2HG2 THR 23 2HG2 THR 23 -0.097 4.519 0.206 132 3HG2 THR 23 3HG2 THR 23 0.685 5.812 -0.702 133 H ARG 24 H ARG 24 4.490 4.419 -0.745 134 HA ARG 24 HA ARG 24 6.225 2.996 1.150 135 1HB ARG 24 2HB ARG 24 6.445 2.615 -1.370 136 2HB ARG 24 1HB ARG 24 7.024 4.270 -1.471 137 1HG ARG 24 2HG ARG 24 8.974 3.782 -0.268 138 2HG ARG 24 1HG ARG 24 8.325 2.247 0.320 139 1HD ARG 24 2HD ARG 24 9.031 2.908 -2.538 140 2HD ARG 24 1HD ARG 24 9.957 1.872 -1.451 141 HE ARG 24 HE ARG 24 7.401 0.820 -1.533 142 1HH1 ARG 24 1HH1 ARG 24 9.973 1.420 -3.827 143 2HH1 ARG 24 2HH1 ARG 24 9.541 0.097 -4.855 144 1HH2 ARG 24 1HH2 ARG 24 6.826 -0.928 -2.874 145 2HH2 ARG 24 2HH2 ARG 24 7.738 -1.246 -4.313 146 H ASP 25 H ASP 25 5.942 4.503 2.776 147 HA ASP 25 HA ASP 25 6.464 6.294 4.051 148 1HB ASP 25 2HB ASP 25 8.752 5.981 2.900 149 2HB ASP 25 1HB ASP 25 8.276 7.332 1.875 150 H GLY 26 H GLY 26 4.150 6.400 2.766 151 1HA GLY 26 2HA GLY 26 2.536 8.084 2.577 152 2HA GLY 26 1HA GLY 26 3.818 9.253 2.321 153 H LEU 27 H LEU 27 4.979 7.449 0.174 154 HA LEU 27 HA LEU 27 3.329 8.527 -1.949 155 1HB LEU 27 2HB LEU 27 6.022 7.186 -1.952 156 2HB LEU 27 1HB LEU 27 5.192 7.672 -3.419 157 HG LEU 27 HG LEU 27 5.940 9.573 -1.211 158 1HD1 LEU 27 1HD1 LEU 27 7.610 10.312 -3.074 159 2HD1 LEU 27 2HD1 LEU 27 7.427 8.647 -3.625 160 3HD1 LEU 27 3HD1 LEU 27 8.022 8.978 -1.998 161 1HD2 LEU 27 1HD2 LEU 27 4.030 10.172 -2.726 162 2HD2 LEU 27 2HD2 LEU 27 5.181 10.156 -4.061 163 3HD2 LEU 27 3HD2 LEU 27 5.382 11.304 -2.738 164 HA PRO 28 HA PRO 28 1.370 4.528 -2.457 165 1HB PRO 28 2HB PRO 28 -0.392 5.304 -4.347 166 2HB PRO 28 1HB PRO 28 -0.594 5.726 -2.643 167 1HG PRO 28 2HG PRO 28 0.485 7.383 -4.890 168 2HG PRO 28 1HG PRO 28 -0.630 7.849 -3.593 169 1HD PRO 28 2HD PRO 28 2.038 8.421 -3.551 170 2HD PRO 28 1HD PRO 28 1.071 8.180 -2.084 171 H VAL 29 H VAL 29 3.888 5.085 -3.754 172 HA VAL 29 HA VAL 29 3.486 4.287 -6.533 173 HB VAL 29 HB VAL 29 5.929 4.594 -6.768 174 1HG1 VAL 29 1HG1 VAL 29 4.847 7.041 -5.424 175 2HG1 VAL 29 2HG1 VAL 29 4.152 6.459 -6.936 176 3HG1 VAL 29 3HG1 VAL 29 5.855 6.914 -6.865 177 1HG2 VAL 29 1HG2 VAL 29 7.351 5.079 -5.052 178 2HG2 VAL 29 2HG2 VAL 29 6.168 4.118 -4.163 179 3HG2 VAL 29 3HG2 VAL 29 6.103 5.879 -4.097 Start of MODEL 14 1 1H CYS 1 H CYS 1 3.367 2.399 -4.024 2 HA CYS 1 HA CYS 1 5.306 0.339 -4.488 3 1HB CYS 1 2HB CYS 1 2.836 0.469 -2.754 4 2HB CYS 1 1HB CYS 1 3.917 -0.913 -2.814 5 H GLY 2 H GLY 2 2.134 1.137 -5.610 6 1HA GLY 2 2HA GLY 2 0.781 0.141 -7.185 7 2HA GLY 2 1HA GLY 2 2.154 -0.876 -7.609 8 H GLU 3 H GLU 3 0.614 -0.586 -4.480 9 HA GLU 3 HA GLU 3 -0.572 -3.243 -4.718 10 1HB GLU 3 2HB GLU 3 1.575 -3.721 -3.764 11 2HB GLU 3 1HB GLU 3 1.452 -2.370 -2.650 12 1HG GLU 3 2HG GLU 3 1.135 -4.408 -1.448 13 2HG GLU 3 1HG GLU 3 -0.390 -3.530 -1.495 14 H THR 4 H THR 4 -2.321 -3.577 -3.338 15 HA THR 4 HA THR 4 -3.245 -1.169 -1.904 16 HB THR 4 HB THR 4 -5.568 -1.997 -2.331 17 HG1 THR 4 1HG THR 4 -4.173 -4.047 -3.447 18 1HG2 THR 4 1HG2 THR 4 -3.755 -1.100 -4.545 19 2HG2 THR 4 2HG2 THR 4 -4.970 -0.180 -3.659 20 3HG2 THR 4 3HG2 THR 4 -5.469 -1.382 -4.848 21 H CYS 5 H CYS 5 -4.244 -1.454 0.080 22 HA CYS 5 HA CYS 5 -4.029 -4.156 1.202 23 1HB CYS 5 2HB CYS 5 -3.465 -3.132 3.373 24 2HB CYS 5 1HB CYS 5 -2.267 -2.792 2.133 25 H PHE 6 H PHE 6 -6.315 -3.796 0.116 26 HA PHE 6 HA PHE 6 -8.315 -2.397 1.468 27 1HB PHE 6 2HB PHE 6 -8.370 -4.889 -0.218 28 2HB PHE 6 1HB PHE 6 -9.835 -4.283 0.543 29 HD1 PHE 6 1HD PHE 6 -6.985 -2.759 -1.349 30 HD2 PHE 6 2HD PHE 6 -11.197 -3.156 -0.889 31 HE1 PHE 6 1HE PHE 6 -7.334 -1.213 -3.230 32 HE2 PHE 6 2HE PHE 6 -11.551 -1.611 -2.771 33 HZ PHE 6 HZ PHE 6 -9.618 -0.637 -3.943 34 H GLY 7 H GLY 7 -6.818 -5.494 2.136 35 1HA GLY 7 2HA GLY 7 -8.609 -5.854 4.445 36 2HA GLY 7 1HA GLY 7 -7.639 -7.122 3.706 37 H GLY 8 H GLY 8 -6.155 -4.047 4.120 38 1HA GLY 8 2HA GLY 8 -4.544 -3.274 5.563 39 2HA GLY 8 1HA GLY 8 -5.173 -4.392 6.764 40 H THR 9 H THR 9 -3.761 -5.058 3.581 41 HA THR 9 HA THR 9 -1.373 -6.120 4.812 42 HB THR 9 HB THR 9 -2.853 -8.047 4.947 43 HG1 THR 9 1HG THR 9 -1.269 -8.745 2.750 44 1HG2 THR 9 1HG2 THR 9 -3.175 -7.768 1.956 45 2HG2 THR 9 2HG2 THR 9 -4.422 -7.449 3.162 46 3HG2 THR 9 3HG2 THR 9 -3.802 -9.086 2.947 47 H CYS 10 H CYS 10 0.372 -6.200 3.425 48 HA CYS 10 HA CYS 10 -0.101 -5.444 0.622 49 1HB CYS 10 2HB CYS 10 2.099 -4.284 2.352 50 2HB CYS 10 1HB CYS 10 1.723 -3.853 0.689 51 H ASN 11 H ASN 11 0.983 -6.705 -0.784 52 HA ASN 11 HA ASN 11 2.611 -8.846 0.170 53 1HB ASN 11 2HB ASN 11 1.973 -7.825 -2.597 54 2HB ASN 11 1HB ASN 11 3.052 -9.189 -2.326 55 1HD2 ASN 11 1HD2 ASN 11 -0.153 -8.142 -2.607 56 2HD2 ASN 11 2HD2 ASN 11 -0.923 -9.653 -2.231 57 H THR 12 H THR 12 3.231 -5.699 -1.221 58 HA THR 12 HA THR 12 6.041 -6.108 -1.602 59 HB THR 12 HB THR 12 4.693 -3.426 -1.326 60 HG1 THR 12 1HG THR 12 4.256 -5.394 -3.200 61 1HG2 THR 12 1HG2 THR 12 6.492 -2.578 -2.446 62 2HG2 THR 12 2HG2 THR 12 6.745 -4.052 -3.378 63 3HG2 THR 12 3HG2 THR 12 7.282 -3.967 -1.701 64 HA PRO 13 HA PRO 13 6.885 -5.600 2.785 65 1HB PRO 13 2HB PRO 13 9.684 -5.948 2.000 66 2HB PRO 13 1HB PRO 13 8.677 -6.968 3.032 67 1HG PRO 13 2HG PRO 13 9.471 -7.743 0.570 68 2HG PRO 13 1HG PRO 13 7.915 -8.231 1.265 69 1HD PRO 13 2HD PRO 13 8.506 -6.083 -0.740 70 2HD PRO 13 1HD PRO 13 7.171 -7.255 -0.705 71 H GLY 14 H GLY 14 7.356 -3.835 3.944 72 1HA GLY 14 2HA GLY 14 8.717 -1.961 4.506 73 2HA GLY 14 1HA GLY 14 9.195 -1.844 2.820 74 H CYS 15 H CYS 15 6.306 -2.222 2.041 75 HA CYS 15 HA CYS 15 5.671 0.576 2.023 76 1HB CYS 15 2HB CYS 15 4.188 -1.819 0.930 77 2HB CYS 15 1HB CYS 15 3.688 -0.146 0.690 78 H SER 16 H SER 16 4.320 1.656 3.259 79 HA SER 16 HA SER 16 3.073 0.329 5.502 80 1HB SER 16 2HB SER 16 4.329 2.492 5.730 81 2HB SER 16 1HB SER 16 3.076 3.269 4.765 82 HG SER 16 HG SER 16 3.011 3.166 7.261 83 H CYS 17 H CYS 17 0.902 0.060 5.775 84 HA CYS 17 HA CYS 17 -0.719 0.225 3.424 85 1HB CYS 17 2HB CYS 17 -1.064 -1.672 4.836 86 2HB CYS 17 1HB CYS 17 -1.336 -0.651 6.244 87 H THR 18 H THR 18 -1.600 2.011 2.768 88 HA THR 18 HA THR 18 -2.685 3.906 4.732 89 HB THR 18 HB THR 18 -1.990 4.526 1.850 90 HG1 THR 18 1HG THR 18 -0.361 4.248 4.054 91 1HG2 THR 18 1HG2 THR 18 -2.365 6.338 4.243 92 2HG2 THR 18 2HG2 THR 18 -3.585 6.041 3.003 93 3HG2 THR 18 3HG2 THR 18 -2.071 6.842 2.578 94 H TRP 19 H TRP 19 -4.286 2.161 4.723 95 HA TRP 19 HA TRP 19 -5.872 1.034 3.045 96 1HB TRP 19 2HB TRP 19 -6.202 1.342 5.571 97 2HB TRP 19 1HB TRP 19 -7.243 2.695 5.139 98 HD1 TRP 19 HD TRP 19 -6.975 -1.056 4.144 99 HE1 TRP 19 1HE TRP 19 -9.362 -2.002 3.964 100 HE3 TRP 19 3HE TRP 19 -9.605 3.202 5.184 101 HZ2 TRP 19 2HZ TRP 19 -12.011 -1.058 4.223 102 HZ3 TRP 19 3HZ TRP 19 -12.064 3.096 5.194 103 HH2 TRP 19 HH TRP 19 -13.239 1.010 4.724 104 HA PRO 20 HA PRO 20 -6.790 0.348 1.915 105 1HB PRO 20 2HB PRO 20 -8.076 -0.145 -0.366 106 2HB PRO 20 1HB PRO 20 -8.959 0.300 1.099 107 1HG PRO 20 2HG PRO 20 -8.464 1.882 -1.345 108 2HG PRO 20 1HG PRO 20 -9.750 2.049 -0.141 109 1HD PRO 20 2HD PRO 20 -7.255 3.516 -0.340 110 2HD PRO 20 1HD PRO 20 -8.604 3.775 0.785 111 H ILE 21 H ILE 21 -4.808 2.431 0.752 112 HA ILE 21 HA ILE 21 -3.703 0.640 -1.327 113 HB ILE 21 HB ILE 21 -3.519 3.660 -1.333 114 1HG1 ILE 21 2HG1 ILE 21 -5.083 1.821 -3.162 115 2HG1 ILE 21 1HG1 ILE 21 -5.786 2.809 -1.885 116 1HG2 ILE 21 1HG2 ILE 21 -1.833 1.777 -2.492 117 2HG2 ILE 21 2HG2 ILE 21 -1.937 3.491 -2.891 118 3HG2 ILE 21 3HG2 ILE 21 -2.876 2.315 -3.809 119 1HD1 ILE 21 1HD1 ILE 21 -5.785 4.635 -3.159 120 2HD1 ILE 21 2HD1 ILE 21 -5.525 3.527 -4.508 121 3HD1 ILE 21 3HD1 ILE 21 -4.151 4.333 -3.751 122 H CYS 22 H CYS 22 -1.587 0.091 -1.123 123 HA CYS 22 HA CYS 22 -0.224 0.872 1.296 124 1HB CYS 22 2HB CYS 22 0.817 -0.839 -0.967 125 2HB CYS 22 1HB CYS 22 1.420 -0.779 0.688 126 H THR 23 H THR 23 1.323 2.369 1.506 127 HA THR 23 HA THR 23 2.418 3.575 -0.962 128 HB THR 23 HB THR 23 2.521 5.727 0.172 129 HG1 THR 23 1HG THR 23 0.976 4.992 2.353 130 1HG2 THR 23 1HG2 THR 23 -0.086 5.828 0.812 131 2HG2 THR 23 2HG2 THR 23 -0.066 4.302 -0.071 132 3HG2 THR 23 3HG2 THR 23 0.492 5.780 -0.854 133 H ARG 24 H ARG 24 4.567 4.494 -0.723 134 HA ARG 24 HA ARG 24 6.197 2.869 1.060 135 1HB ARG 24 2HB ARG 24 6.788 3.233 -1.386 136 2HB ARG 24 1HB ARG 24 7.148 4.903 -0.970 137 1HG ARG 24 2HG ARG 24 9.187 3.633 -1.025 138 2HG ARG 24 1HG ARG 24 8.841 4.107 0.640 139 1HD ARG 24 2HD ARG 24 7.639 1.756 0.691 140 2HD ARG 24 1HD ARG 24 8.751 1.414 -0.632 141 HE ARG 24 HE ARG 24 10.441 1.280 0.892 142 1HH1 ARG 24 1HH1 ARG 24 7.765 2.972 2.346 143 2HH1 ARG 24 2HH1 ARG 24 8.530 3.182 3.892 144 1HH2 ARG 24 1HH2 ARG 24 11.471 1.523 2.953 145 2HH2 ARG 24 2HH2 ARG 24 10.628 2.341 4.229 146 H ASP 25 H ASP 25 4.821 4.236 2.649 147 HA ASP 25 HA ASP 25 4.781 5.654 4.392 148 1HB ASP 25 2HB ASP 25 7.690 6.016 3.672 149 2HB ASP 25 1HB ASP 25 6.941 6.798 5.062 150 H GLY 26 H GLY 26 3.653 6.577 2.121 151 1HA GLY 26 2HA GLY 26 2.945 9.062 2.405 152 2HA GLY 26 1HA GLY 26 4.578 9.349 1.830 153 H LEU 27 H LEU 27 4.836 7.501 -0.177 154 HA LEU 27 HA LEU 27 2.819 8.454 -2.074 155 1HB LEU 27 2HB LEU 27 5.676 7.617 -2.509 156 2HB LEU 27 1HB LEU 27 4.554 7.946 -3.816 157 HG LEU 27 HG LEU 27 5.354 9.950 -1.715 158 1HD1 LEU 27 1HD1 LEU 27 6.906 10.851 -3.182 159 2HD1 LEU 27 2HD1 LEU 27 6.205 10.037 -4.580 160 3HD1 LEU 27 3HD1 LEU 27 7.133 9.116 -3.398 161 1HD2 LEU 27 1HD2 LEU 27 4.002 10.463 -4.347 162 2HD2 LEU 27 2HD2 LEU 27 4.183 11.555 -2.974 163 3HD2 LEU 27 3HD2 LEU 27 3.097 10.170 -2.861 164 HA PRO 28 HA PRO 28 1.532 4.211 -2.452 165 1HB PRO 28 2HB PRO 28 -0.353 4.601 -4.335 166 2HB PRO 28 1HB PRO 28 -0.581 5.120 -2.661 167 1HG PRO 28 2HG PRO 28 0.218 6.734 -5.053 168 2HG PRO 28 1HG PRO 28 -0.928 7.139 -3.762 169 1HD PRO 28 2HD PRO 28 1.643 8.065 -3.842 170 2HD PRO 28 1HD PRO 28 0.734 7.827 -2.338 171 H VAL 29 H VAL 29 3.928 5.023 -3.844 172 HA VAL 29 HA VAL 29 3.652 4.184 -6.595 173 HB VAL 29 HB VAL 29 6.113 4.462 -6.705 174 1HG1 VAL 29 1HG1 VAL 29 4.616 6.346 -7.155 175 2HG1 VAL 29 2HG1 VAL 29 6.127 6.882 -6.419 176 3HG1 VAL 29 3HG1 VAL 29 4.658 6.787 -5.448 177 1HG2 VAL 29 1HG2 VAL 29 6.135 3.977 -4.047 178 2HG2 VAL 29 2HG2 VAL 29 6.244 5.738 -4.053 179 3HG2 VAL 29 3HG2 VAL 29 7.448 4.778 -4.912 Start of MODEL 15 1 1H CYS 1 H CYS 1 3.371 2.244 -3.939 2 HA CYS 1 HA CYS 1 5.113 -0.011 -4.247 3 1HB CYS 1 2HB CYS 1 2.576 0.276 -2.627 4 2HB CYS 1 1HB CYS 1 3.774 -0.998 -2.466 5 H GLY 2 H GLY 2 2.044 1.002 -5.486 6 1HA GLY 2 2HA GLY 2 0.614 0.044 -7.011 7 2HA GLY 2 1HA GLY 2 1.938 -1.039 -7.426 8 H GLU 3 H GLU 3 0.204 -0.610 -4.384 9 HA GLU 3 HA GLU 3 -1.060 -3.210 -4.641 10 1HB GLU 3 2HB GLU 3 1.055 -3.859 -3.718 11 2HB GLU 3 1HB GLU 3 1.016 -2.549 -2.549 12 1HG GLU 3 2HG GLU 3 0.561 -4.607 -1.428 13 2HG GLU 3 1HG GLU 3 -0.908 -3.637 -1.449 14 H THR 4 H THR 4 -2.749 -3.541 -3.202 15 HA THR 4 HA THR 4 -3.556 -1.193 -1.609 16 HB THR 4 HB THR 4 -5.913 -1.808 -2.079 17 HG1 THR 4 1HG THR 4 -4.699 -3.900 -3.315 18 1HG2 THR 4 1HG2 THR 4 -5.279 0.016 -3.347 19 2HG2 THR 4 2HG2 THR 4 -5.767 -1.118 -4.607 20 3HG2 THR 4 3HG2 THR 4 -4.058 -0.893 -4.237 21 H CYS 5 H CYS 5 -4.457 -1.640 0.388 22 HA CYS 5 HA CYS 5 -4.172 -4.439 1.219 23 1HB CYS 5 2HB CYS 5 -3.914 -3.631 3.506 24 2HB CYS 5 1HB CYS 5 -2.723 -2.907 2.434 25 H PHE 6 H PHE 6 -6.405 -4.319 -0.024 26 HA PHE 6 HA PHE 6 -8.673 -3.345 1.295 27 1HB PHE 6 2HB PHE 6 -8.234 -5.602 -0.637 28 2HB PHE 6 1HB PHE 6 -9.811 -5.381 0.114 29 HD1 PHE 6 1HD PHE 6 -7.384 -2.824 -1.089 30 HD2 PHE 6 2HD PHE 6 -11.193 -4.654 -1.585 31 HE1 PHE 6 1HE PHE 6 -7.967 -1.142 -2.787 32 HE2 PHE 6 2HE PHE 6 -11.782 -2.975 -3.285 33 HZ PHE 6 HZ PHE 6 -10.169 -1.217 -3.887 34 H GLY 7 H GLY 7 -6.742 -6.213 1.789 35 1HA GLY 7 2HA GLY 7 -8.529 -7.038 3.981 36 2HA GLY 7 1HA GLY 7 -7.369 -8.088 3.175 37 H GLY 8 H GLY 8 -6.427 -4.845 3.958 38 1HA GLY 8 2HA GLY 8 -4.975 -3.981 5.506 39 2HA GLY 8 1HA GLY 8 -5.434 -5.301 6.569 40 H THR 9 H THR 9 -3.926 -5.610 3.386 41 HA THR 9 HA THR 9 -1.361 -6.194 4.583 42 HB THR 9 HB THR 9 -2.435 -8.358 4.782 43 HG1 THR 9 1HG THR 9 -0.792 -8.719 2.528 44 1HG2 THR 9 1HG2 THR 9 -2.747 -9.279 2.167 45 2HG2 THR 9 2HG2 THR 9 -3.508 -7.689 2.183 46 3HG2 THR 9 3HG2 THR 9 -4.026 -8.927 3.326 47 H CYS 10 H CYS 10 0.348 -5.969 3.196 48 HA CYS 10 HA CYS 10 -0.266 -5.242 0.405 49 1HB CYS 10 2HB CYS 10 1.930 -4.085 2.144 50 2HB CYS 10 1HB CYS 10 1.563 -3.623 0.487 51 H ASN 11 H ASN 11 0.898 -6.336 -1.132 52 HA ASN 11 HA ASN 11 2.485 -8.547 -0.366 53 1HB ASN 11 2HB ASN 11 2.818 -8.975 -2.681 54 2HB ASN 11 1HB ASN 11 1.199 -8.305 -2.542 55 1HD2 ASN 11 1HD2 ASN 11 0.678 -6.649 -3.789 56 2HD2 ASN 11 2HD2 ASN 11 1.795 -5.714 -4.735 57 H THR 12 H THR 12 3.265 -5.266 -1.282 58 HA THR 12 HA THR 12 6.093 -5.733 -1.461 59 HB THR 12 HB THR 12 4.814 -3.034 -1.120 60 HG1 THR 12 1HG THR 12 4.518 -4.861 -3.219 61 1HG2 THR 12 1HG2 THR 12 7.209 -4.072 -2.639 62 2HG2 THR 12 2HG2 THR 12 7.218 -3.026 -1.220 63 3HG2 THR 12 3HG2 THR 12 6.604 -2.420 -2.758 64 HA PRO 13 HA PRO 13 6.515 -5.474 3.006 65 1HB PRO 13 2HB PRO 13 9.162 -6.046 3.083 66 2HB PRO 13 1HB PRO 13 7.924 -7.284 2.853 67 1HG PRO 13 2HG PRO 13 9.668 -5.948 0.825 68 2HG PRO 13 1HG PRO 13 9.197 -7.653 0.949 69 1HD PRO 13 2HD PRO 13 8.023 -5.900 -0.773 70 2HD PRO 13 1HD PRO 13 7.177 -7.297 -0.081 71 H GLY 14 H GLY 14 6.939 -3.773 4.273 72 1HA GLY 14 2HA GLY 14 8.326 -1.988 5.042 73 2HA GLY 14 1HA GLY 14 8.961 -1.825 3.411 74 H CYS 15 H CYS 15 6.203 -2.048 2.302 75 HA CYS 15 HA CYS 15 5.638 0.745 2.283 76 1HB CYS 15 2HB CYS 15 4.226 -1.643 1.104 77 2HB CYS 15 1HB CYS 15 3.597 -0.006 0.946 78 H SER 16 H SER 16 4.370 1.881 3.566 79 HA SER 16 HA SER 16 2.756 0.509 5.566 80 1HB SER 16 2HB SER 16 4.261 2.413 6.228 81 2HB SER 16 1HB SER 16 3.283 3.480 5.222 82 HG SER 16 HG SER 16 2.617 3.552 7.395 83 H CYS 17 H CYS 17 0.646 0.161 5.146 84 HA CYS 17 HA CYS 17 -0.438 1.415 2.795 85 1HB CYS 17 2HB CYS 17 -0.781 -1.018 3.284 86 2HB CYS 17 1HB CYS 17 -1.854 -0.532 4.599 87 H THR 18 H THR 18 -1.452 3.197 2.777 88 HA THR 18 HA THR 18 -2.816 4.210 5.146 89 HB THR 18 HB THR 18 -2.582 5.524 2.419 90 HG1 THR 18 1HG THR 18 -0.532 5.760 2.916 91 1HG2 THR 18 1HG2 THR 18 -3.606 7.309 3.324 92 2HG2 THR 18 2HG2 THR 18 -2.674 7.196 4.816 93 3HG2 THR 18 3HG2 THR 18 -4.115 6.203 4.601 94 H TRP 19 H TRP 19 -4.133 2.303 4.964 95 HA TRP 19 HA TRP 19 -5.605 1.079 3.299 96 1HB TRP 19 2HB TRP 19 -5.921 1.061 5.802 97 2HB TRP 19 1HB TRP 19 -7.096 2.354 5.585 98 HD1 TRP 19 HD TRP 19 -6.555 -1.284 4.294 99 HE1 TRP 19 1HE TRP 19 -8.869 -2.370 4.011 100 HE3 TRP 19 3HE TRP 19 -9.496 2.719 5.535 101 HZ2 TRP 19 2HZ TRP 19 -11.578 -1.633 4.274 102 HZ3 TRP 19 3HZ TRP 19 -11.940 2.440 5.491 103 HH2 TRP 19 HH TRP 19 -12.958 0.308 4.874 104 HA PRO 20 HA PRO 20 -6.408 0.302 2.171 105 1HB PRO 20 2HB PRO 20 -7.664 -0.304 -0.100 106 2HB PRO 20 1HB PRO 20 -8.560 -0.101 1.410 107 1HG PRO 20 2HG PRO 20 -8.450 1.660 -0.958 108 2HG PRO 20 1HG PRO 20 -9.695 1.540 0.295 109 1HD PRO 20 2HD PRO 20 -7.498 3.430 0.093 110 2HD PRO 20 1HD PRO 20 -8.834 3.405 1.262 111 H ILE 21 H ILE 21 -4.816 2.715 1.115 112 HA ILE 21 HA ILE 21 -3.667 1.377 -1.261 113 HB ILE 21 HB ILE 21 -3.538 4.318 -0.577 114 1HG1 ILE 21 2HG1 ILE 21 -5.808 3.618 -1.232 115 2HG1 ILE 21 1HG1 ILE 21 -5.075 4.659 -2.448 116 1HG2 ILE 21 1HG2 ILE 21 -2.311 4.675 -2.490 117 2HG2 ILE 21 2HG2 ILE 21 -2.854 3.179 -3.249 118 3HG2 ILE 21 3HG2 ILE 21 -1.665 3.127 -1.947 119 1HD1 ILE 21 1HD1 ILE 21 -5.116 1.661 -2.644 120 2HD1 ILE 21 2HD1 ILE 21 -4.691 2.824 -3.901 121 3HD1 ILE 21 3HD1 ILE 21 -6.357 2.707 -3.333 122 H CYS 22 H CYS 22 -1.710 0.504 -0.976 123 HA CYS 22 HA CYS 22 -0.144 1.040 1.377 124 1HB CYS 22 2HB CYS 22 0.688 -0.510 -1.085 125 2HB CYS 22 1HB CYS 22 1.361 -0.640 0.538 126 H THR 23 H THR 23 1.485 2.451 1.617 127 HA THR 23 HA THR 23 2.593 3.724 -0.806 128 HB THR 23 HB THR 23 2.685 5.868 0.516 129 HG1 THR 23 1HG THR 23 1.663 4.212 2.435 130 1HG2 THR 23 1HG2 THR 23 0.064 4.601 -0.232 131 2HG2 THR 23 2HG2 THR 23 0.990 5.826 -1.099 132 3HG2 THR 23 3HG2 THR 23 0.137 6.251 0.386 133 H ARG 24 H ARG 24 4.728 4.152 -0.791 134 HA ARG 24 HA ARG 24 6.281 3.147 1.484 135 1HB ARG 24 2HB ARG 24 6.700 2.361 -0.930 136 2HB ARG 24 1HB ARG 24 7.332 3.972 -1.232 137 1HG ARG 24 2HG ARG 24 8.427 2.239 0.958 138 2HG ARG 24 1HG ARG 24 8.996 2.110 -0.706 139 1HD ARG 24 2HD ARG 24 9.035 4.613 0.978 140 2HD ARG 24 1HD ARG 24 10.423 3.576 0.651 141 HE ARG 24 HE ARG 24 9.430 4.294 -1.812 142 1HH1 ARG 24 1HH1 ARG 24 10.650 5.982 1.004 143 2HH1 ARG 24 2HH1 ARG 24 11.315 7.295 0.073 144 1HH2 ARG 24 1HH2 ARG 24 10.304 6.026 -3.037 145 2HH2 ARG 24 2HH2 ARG 24 11.116 7.319 -2.222 146 H ASP 25 H ASP 25 6.388 4.746 2.926 147 HA ASP 25 HA ASP 25 6.820 6.734 3.909 148 1HB ASP 25 2HB ASP 25 8.575 7.126 1.475 149 2HB ASP 25 1HB ASP 25 8.564 8.200 2.871 150 H GLY 26 H GLY 26 4.468 6.531 2.473 151 1HA GLY 26 2HA GLY 26 2.762 8.112 2.180 152 2HA GLY 26 1HA GLY 26 3.982 9.348 1.923 153 H LEU 27 H LEU 27 5.200 7.239 -0.063 154 HA LEU 27 HA LEU 27 3.714 8.292 -2.324 155 1HB LEU 27 2HB LEU 27 6.325 6.808 -2.135 156 2HB LEU 27 1HB LEU 27 5.581 7.258 -3.658 157 HG LEU 27 HG LEU 27 6.356 9.236 -1.527 158 1HD1 LEU 27 1HD1 LEU 27 8.438 8.551 -2.171 159 2HD1 LEU 27 2HD1 LEU 27 8.118 9.748 -3.426 160 3HD1 LEU 27 3HD1 LEU 27 7.894 8.032 -3.767 161 1HD2 LEU 27 1HD2 LEU 27 5.356 10.771 -2.781 162 2HD2 LEU 27 2HD2 LEU 27 4.692 9.463 -3.761 163 3HD2 LEU 27 3HD2 LEU 27 6.215 10.223 -4.221 164 HA PRO 28 HA PRO 28 1.563 4.380 -2.672 165 1HB PRO 28 2HB PRO 28 -0.069 5.117 -4.686 166 2HB PRO 28 1HB PRO 28 -0.315 5.678 -3.027 167 1HG PRO 28 2HG PRO 28 0.953 7.097 -5.338 168 2HG PRO 28 1HG PRO 28 -0.181 7.723 -4.127 169 1HD PRO 28 2HD PRO 28 2.518 8.133 -4.014 170 2HD PRO 28 1HD PRO 28 1.478 8.074 -2.578 171 H VAL 29 H VAL 29 4.160 4.714 -3.876 172 HA VAL 29 HA VAL 29 3.877 3.824 -6.630 173 HB VAL 29 HB VAL 29 6.348 3.862 -6.685 174 1HG1 VAL 29 1HG1 VAL 29 4.953 5.876 -7.175 175 2HG1 VAL 29 2HG1 VAL 29 6.592 6.239 -6.635 176 3HG1 VAL 29 3HG1 VAL 29 5.238 6.408 -5.517 177 1HG2 VAL 29 1HG2 VAL 29 6.629 5.268 -4.133 178 2HG2 VAL 29 2HG2 VAL 29 7.655 4.035 -4.869 179 3HG2 VAL 29 3HG2 VAL 29 6.214 3.562 -3.970 Start of MODEL 16 1 1H CYS 1 H CYS 1 3.177 2.588 -4.094 2 HA CYS 1 HA CYS 1 5.080 0.449 -4.285 3 1HB CYS 1 2HB CYS 1 2.603 0.922 -2.656 4 2HB CYS 1 1HB CYS 1 3.376 -0.654 -2.684 5 H GLY 2 H GLY 2 1.949 1.201 -5.574 6 1HA GLY 2 2HA GLY 2 0.623 0.123 -7.109 7 2HA GLY 2 1HA GLY 2 2.042 -0.834 -7.522 8 H GLU 3 H GLU 3 0.492 -0.626 -4.378 9 HA GLU 3 HA GLU 3 -0.623 -3.302 -4.673 10 1HB GLU 3 2HB GLU 3 1.572 -3.743 -3.782 11 2HB GLU 3 1HB GLU 3 1.395 -2.475 -2.579 12 1HG GLU 3 2HG GLU 3 1.157 -4.612 -1.530 13 2HG GLU 3 1HG GLU 3 -0.392 -3.775 -1.504 14 H THR 4 H THR 4 -2.412 -3.650 -3.435 15 HA THR 4 HA THR 4 -3.358 -1.333 -1.880 16 HB THR 4 HB THR 4 -5.654 -2.227 -2.303 17 HG1 THR 4 1HG THR 4 -4.225 -4.251 -3.385 18 1HG2 THR 4 1HG2 THR 4 -4.423 -1.744 -4.974 19 2HG2 THR 4 2HG2 THR 4 -4.284 -0.489 -3.744 20 3HG2 THR 4 3HG2 THR 4 -5.876 -1.045 -4.260 21 H CYS 5 H CYS 5 -4.364 -1.675 0.094 22 HA CYS 5 HA CYS 5 -4.071 -4.374 1.203 23 1HB CYS 5 2HB CYS 5 -3.538 -3.319 3.383 24 2HB CYS 5 1HB CYS 5 -2.328 -3.011 2.144 25 H PHE 6 H PHE 6 -6.368 -4.080 0.148 26 HA PHE 6 HA PHE 6 -8.383 -2.688 1.481 27 1HB PHE 6 2HB PHE 6 -8.402 -5.222 -0.140 28 2HB PHE 6 1HB PHE 6 -9.873 -4.627 0.616 29 HD1 PHE 6 1HD PHE 6 -7.073 -2.986 -1.246 30 HD2 PHE 6 2HD PHE 6 -11.260 -3.671 -0.922 31 HE1 PHE 6 1HE PHE 6 -7.462 -1.494 -3.162 32 HE2 PHE 6 2HE PHE 6 -11.655 -2.180 -2.838 33 HZ PHE 6 HZ PHE 6 -9.755 -1.090 -3.961 34 H GLY 7 H GLY 7 -6.871 -5.776 2.183 35 1HA GLY 7 2HA GLY 7 -8.607 -6.088 4.536 36 2HA GLY 7 1HA GLY 7 -7.623 -7.359 3.819 37 H GLY 8 H GLY 8 -6.199 -4.245 4.129 38 1HA GLY 8 2HA GLY 8 -4.578 -3.399 5.520 39 2HA GLY 8 1HA GLY 8 -5.164 -4.493 6.763 40 H THR 9 H THR 9 -3.861 -5.319 3.582 41 HA THR 9 HA THR 9 -1.379 -6.212 4.753 42 HB THR 9 HB THR 9 -2.838 -8.142 5.147 43 HG1 THR 9 1HG THR 9 -1.322 -9.518 4.507 44 1HG2 THR 9 1HG2 THR 9 -3.584 -7.660 2.341 45 2HG2 THR 9 2HG2 THR 9 -4.511 -8.385 3.654 46 3HG2 THR 9 3HG2 THR 9 -3.331 -9.353 2.770 47 H CYS 10 H CYS 10 0.278 -6.371 3.273 48 HA CYS 10 HA CYS 10 -0.355 -6.001 0.440 49 1HB CYS 10 2HB CYS 10 1.421 -4.212 2.106 50 2HB CYS 10 1HB CYS 10 1.530 -4.280 0.350 51 H ASN 11 H ASN 11 0.989 -7.023 -0.938 52 HA ASN 11 HA ASN 11 2.714 -9.032 0.078 53 1HB ASN 11 2HB ASN 11 2.260 -7.959 -2.708 54 2HB ASN 11 1HB ASN 11 3.345 -9.303 -2.366 55 1HD2 ASN 11 1HD2 ASN 11 0.127 -8.304 -2.844 56 2HD2 ASN 11 2HD2 ASN 11 -0.623 -9.850 -2.597 57 H THR 12 H THR 12 3.274 -5.887 -1.409 58 HA THR 12 HA THR 12 6.107 -6.105 -1.487 59 HB THR 12 HB THR 12 4.567 -3.513 -1.388 60 HG1 THR 12 1HG THR 12 4.499 -3.829 -3.754 61 1HG2 THR 12 1HG2 THR 12 7.002 -4.224 -3.013 62 2HG2 THR 12 2HG2 THR 12 7.113 -3.587 -1.373 63 3HG2 THR 12 3HG2 THR 12 6.365 -2.621 -2.644 64 HA PRO 13 HA PRO 13 6.545 -5.457 2.941 65 1HB PRO 13 2HB PRO 13 9.397 -5.824 2.466 66 2HB PRO 13 1HB PRO 13 8.280 -6.846 3.373 67 1HG PRO 13 2HG PRO 13 9.370 -7.599 1.007 68 2HG PRO 13 1HG PRO 13 7.767 -8.134 1.544 69 1HD PRO 13 2HD PRO 13 8.493 -5.973 -0.402 70 2HD PRO 13 1HD PRO 13 7.193 -7.183 -0.493 71 H GLY 14 H GLY 14 6.966 -3.674 4.104 72 1HA GLY 14 2HA GLY 14 8.312 -1.793 4.697 73 2HA GLY 14 1HA GLY 14 8.855 -1.701 3.029 74 H CYS 15 H CYS 15 6.016 -2.099 2.116 75 HA CYS 15 HA CYS 15 5.378 0.666 1.931 76 1HB CYS 15 2HB CYS 15 3.862 -1.813 1.099 77 2HB CYS 15 1HB CYS 15 3.326 -0.170 0.750 78 H SER 16 H SER 16 4.147 1.885 3.166 79 HA SER 16 HA SER 16 2.915 0.774 5.526 80 1HB SER 16 2HB SER 16 4.112 2.977 5.531 81 2HB SER 16 1HB SER 16 2.853 3.622 4.479 82 HG SER 16 HG SER 16 2.838 3.530 7.095 83 H CYS 17 H CYS 17 0.834 0.168 5.665 84 HA CYS 17 HA CYS 17 -0.792 0.282 3.338 85 1HB CYS 17 2HB CYS 17 -1.015 -1.671 4.675 86 2HB CYS 17 1HB CYS 17 -1.308 -0.727 6.134 87 H THR 18 H THR 18 -1.383 2.273 2.774 88 HA THR 18 HA THR 18 -2.759 3.977 4.705 89 HB THR 18 HB THR 18 -2.175 4.620 1.804 90 HG1 THR 18 1HG THR 18 -0.439 4.342 3.886 91 1HG2 THR 18 1HG2 THR 18 -3.802 6.042 3.065 92 2HG2 THR 18 2HG2 THR 18 -2.378 6.917 2.504 93 3HG2 THR 18 3HG2 THR 18 -2.509 6.438 4.197 94 H TRP 19 H TRP 19 -4.265 2.146 4.742 95 HA TRP 19 HA TRP 19 -5.807 0.904 3.106 96 1HB TRP 19 2HB TRP 19 -6.138 1.225 5.619 97 2HB TRP 19 1HB TRP 19 -7.223 2.544 5.190 98 HD1 TRP 19 HD TRP 19 -6.864 -1.202 4.198 99 HE1 TRP 19 1HE TRP 19 -9.226 -2.218 4.069 100 HE3 TRP 19 3HE TRP 19 -9.596 2.977 5.297 101 HZ2 TRP 19 2HZ TRP 19 -11.895 -1.352 4.387 102 HZ3 TRP 19 3HZ TRP 19 -12.049 2.798 5.362 103 HH2 TRP 19 HH TRP 19 -13.173 0.678 4.915 104 HA PRO 20 HA PRO 20 -6.694 0.144 1.991 105 1HB PRO 20 2HB PRO 20 -7.973 -0.463 -0.266 106 2HB PRO 20 1HB PRO 20 -8.865 -0.035 1.198 107 1HG PRO 20 2HG PRO 20 -8.477 1.519 -1.283 108 2HG PRO 20 1HG PRO 20 -9.757 1.645 -0.067 109 1HD PRO 20 2HD PRO 20 -7.342 3.233 -0.325 110 2HD PRO 20 1HD PRO 20 -8.694 3.449 0.807 111 H ILE 21 H ILE 21 -4.803 2.273 0.798 112 HA ILE 21 HA ILE 21 -3.611 0.486 -1.232 113 HB ILE 21 HB ILE 21 -3.680 3.507 -1.399 114 1HG1 ILE 21 2HG1 ILE 21 -5.033 1.438 -3.148 115 2HG1 ILE 21 1HG1 ILE 21 -5.847 2.422 -1.938 116 1HG2 ILE 21 1HG2 ILE 21 -2.865 2.097 -3.790 117 2HG2 ILE 21 2HG2 ILE 21 -1.798 1.743 -2.431 118 3HG2 ILE 21 3HG2 ILE 21 -2.066 3.413 -2.929 119 1HD1 ILE 21 1HD1 ILE 21 -6.233 3.902 -3.535 120 2HD1 ILE 21 2HD1 ILE 21 -5.185 3.042 -4.663 121 3HD1 ILE 21 3HD1 ILE 21 -4.502 4.239 -3.562 122 H CYS 22 H CYS 22 -1.484 0.044 -0.936 123 HA CYS 22 HA CYS 22 -0.197 1.142 1.389 124 1HB CYS 22 2HB CYS 22 0.388 -1.061 -0.501 125 2HB CYS 22 1HB CYS 22 1.759 -0.337 0.337 126 H THR 23 H THR 23 1.373 2.569 1.541 127 HA THR 23 HA THR 23 2.420 3.735 -0.967 128 HB THR 23 HB THR 23 2.615 5.895 0.242 129 HG1 THR 23 1HG THR 23 0.825 5.189 2.228 130 1HG2 THR 23 1HG2 THR 23 0.071 4.569 -0.410 131 2HG2 THR 23 2HG2 THR 23 0.702 6.131 -0.931 132 3HG2 THR 23 3HG2 THR 23 -0.084 5.976 0.640 133 H ARG 24 H ARG 24 4.557 4.441 -0.961 134 HA ARG 24 HA ARG 24 6.291 3.076 0.942 135 1HB ARG 24 2HB ARG 24 6.836 2.926 -1.458 136 2HB ARG 24 1HB ARG 24 6.902 4.680 -1.563 137 1HG ARG 24 2HG ARG 24 8.749 4.520 0.203 138 2HG ARG 24 1HG ARG 24 8.807 2.806 -0.216 139 1HD ARG 24 2HD ARG 24 9.496 3.243 -2.405 140 2HD ARG 24 1HD ARG 24 8.961 4.922 -2.336 141 HE ARG 24 HE ARG 24 11.515 3.947 -1.632 142 1HH1 ARG 24 1HH1 ARG 24 9.120 6.310 -0.700 143 2HH1 ARG 24 2HH1 ARG 24 10.213 7.264 0.246 144 1HH2 ARG 24 1HH2 ARG 24 13.010 5.271 -0.469 145 2HH2 ARG 24 2HH2 ARG 24 12.438 6.703 0.321 146 H ASP 25 H ASP 25 6.073 4.234 2.785 147 HA ASP 25 HA ASP 25 6.043 5.920 4.265 148 1HB ASP 25 2HB ASP 25 8.063 7.539 4.064 149 2HB ASP 25 1HB ASP 25 8.336 5.848 4.432 150 H GLY 26 H GLY 26 4.188 6.346 2.374 151 1HA GLY 26 2HA GLY 26 2.745 8.275 2.379 152 2HA GLY 26 1HA GLY 26 4.172 9.288 2.265 153 H LEU 27 H LEU 27 5.214 7.347 0.130 154 HA LEU 27 HA LEU 27 3.870 8.714 -2.058 155 1HB LEU 27 2HB LEU 27 6.379 8.665 -1.789 156 2HB LEU 27 1HB LEU 27 6.315 6.961 -2.193 157 HG LEU 27 HG LEU 27 5.418 7.499 -4.405 158 1HD1 LEU 27 1HD1 LEU 27 5.785 10.389 -3.623 159 2HD1 LEU 27 2HD1 LEU 27 4.228 9.567 -3.738 160 3HD1 LEU 27 3HD1 LEU 27 5.225 9.772 -5.179 161 1HD2 LEU 27 1HD2 LEU 27 7.809 7.322 -4.191 162 2HD2 LEU 27 2HD2 LEU 27 7.924 8.996 -3.651 163 3HD2 LEU 27 3HD2 LEU 27 7.428 8.636 -5.304 164 HA PRO 28 HA PRO 28 1.528 4.929 -2.736 165 1HB PRO 28 2HB PRO 28 0.241 6.438 -4.883 166 2HB PRO 28 1HB PRO 28 -0.457 5.790 -3.396 167 1HG PRO 28 2HG PRO 28 -0.125 8.440 -3.803 168 2HG PRO 28 1HG PRO 28 -0.005 7.700 -2.196 169 1HD PRO 28 2HD PRO 28 2.184 8.544 -4.062 170 2HD PRO 28 1HD PRO 28 2.059 8.757 -2.301 171 H VAL 29 H VAL 29 4.079 4.888 -3.868 172 HA VAL 29 HA VAL 29 3.555 4.155 -6.669 173 HB VAL 29 HB VAL 29 6.008 4.278 -7.011 174 1HG1 VAL 29 1HG1 VAL 29 5.930 6.488 -7.491 175 2HG1 VAL 29 2HG1 VAL 29 5.360 6.931 -5.883 176 3HG1 VAL 29 3HG1 VAL 29 4.230 6.280 -7.071 177 1HG2 VAL 29 1HG2 VAL 29 6.196 5.627 -4.333 178 2HG2 VAL 29 2HG2 VAL 29 7.498 5.059 -5.378 179 3HG2 VAL 29 3HG2 VAL 29 6.484 3.897 -4.524 Start of MODEL 17 1 1H CYS 1 H CYS 1 3.321 2.397 -3.992 2 HA CYS 1 HA CYS 1 5.078 0.135 -4.173 3 1HB CYS 1 2HB CYS 1 2.540 0.649 -2.619 4 2HB CYS 1 1HB CYS 1 3.422 -0.865 -2.544 5 H GLY 2 H GLY 2 2.024 1.131 -5.475 6 1HA GLY 2 2HA GLY 2 0.624 0.180 -7.027 7 2HA GLY 2 1HA GLY 2 1.981 -0.849 -7.471 8 H GLU 3 H GLU 3 0.433 -0.655 -4.322 9 HA GLU 3 HA GLU 3 -0.851 -3.237 -4.726 10 1HB GLU 3 2HB GLU 3 1.298 -3.883 -3.879 11 2HB GLU 3 1HB GLU 3 1.241 -2.650 -2.629 12 1HG GLU 3 2HG GLU 3 0.845 -4.790 -1.646 13 2HG GLU 3 1HG GLU 3 -0.636 -3.842 -1.579 14 H THR 4 H THR 4 -2.595 -3.588 -3.438 15 HA THR 4 HA THR 4 -3.511 -1.264 -1.880 16 HB THR 4 HB THR 4 -5.787 -2.231 -2.166 17 HG1 THR 4 1HG THR 4 -4.309 -4.269 -3.275 18 1HG2 THR 4 1HG2 THR 4 -5.031 -2.031 -4.958 19 2HG2 THR 4 2HG2 THR 4 -4.263 -0.782 -3.976 20 3HG2 THR 4 3HG2 THR 4 -6.019 -0.948 -3.978 21 H CYS 5 H CYS 5 -4.608 -1.642 0.130 22 HA CYS 5 HA CYS 5 -4.087 -4.266 1.310 23 1HB CYS 5 2HB CYS 5 -3.436 -3.139 3.430 24 2HB CYS 5 1HB CYS 5 -2.310 -2.859 2.109 25 H PHE 6 H PHE 6 -6.486 -3.986 0.408 26 HA PHE 6 HA PHE 6 -8.422 -2.580 1.806 27 1HB PHE 6 2HB PHE 6 -8.526 -5.254 0.420 28 2HB PHE 6 1HB PHE 6 -9.950 -4.561 1.187 29 HD1 PHE 6 1HD PHE 6 -11.404 -3.686 -0.333 30 HD2 PHE 6 2HD PHE 6 -7.229 -3.211 -1.003 31 HE1 PHE 6 1HE PHE 6 -11.882 -2.394 -2.371 32 HE2 PHE 6 2HE PHE 6 -7.699 -1.916 -3.040 33 HZ PHE 6 HZ PHE 6 -10.028 -1.505 -3.726 34 H GLY 7 H GLY 7 -6.803 -5.571 2.622 35 1HA GLY 7 2HA GLY 7 -8.058 -5.440 5.287 36 2HA GLY 7 1HA GLY 7 -7.781 -6.974 4.467 37 H GLY 8 H GLY 8 -5.561 -4.274 4.309 38 1HA GLY 8 2HA GLY 8 -3.399 -4.011 5.034 39 2HA GLY 8 1HA GLY 8 -3.854 -4.970 6.436 40 H THR 9 H THR 9 -3.666 -5.768 2.975 41 HA THR 9 HA THR 9 -1.678 -7.833 3.672 42 HB THR 9 HB THR 9 -3.754 -8.340 1.565 43 HG1 THR 9 1HG THR 9 -4.061 -8.409 4.369 44 1HG2 THR 9 1HG2 THR 9 -1.893 -9.976 3.256 45 2HG2 THR 9 2HG2 THR 9 -2.107 -9.987 1.506 46 3HG2 THR 9 3HG2 THR 9 -3.333 -10.710 2.548 47 H CYS 10 H CYS 10 -0.297 -5.949 2.825 48 HA CYS 10 HA CYS 10 -0.323 -5.730 -0.078 49 1HB CYS 10 2HB CYS 10 1.353 -4.321 2.013 50 2HB CYS 10 1HB CYS 10 1.502 -4.054 0.278 51 H ASN 11 H ASN 11 1.011 -6.735 -1.417 52 HA ASN 11 HA ASN 11 2.592 -8.899 -0.535 53 1HB ASN 11 2HB ASN 11 3.080 -9.286 -2.808 54 2HB ASN 11 1HB ASN 11 1.488 -8.536 -2.832 55 1HD2 ASN 11 1HD2 ASN 11 4.141 -8.647 -4.537 56 2HD2 ASN 11 2HD2 ASN 11 4.249 -7.028 -5.126 57 H THR 12 H THR 12 3.367 -5.585 -1.350 58 HA THR 12 HA THR 12 6.217 -6.041 -1.204 59 HB THR 12 HB THR 12 4.773 -3.393 -1.373 60 HG1 THR 12 1HG THR 12 4.224 -4.894 -3.109 61 1HG2 THR 12 1HG2 THR 12 6.789 -2.441 -1.900 62 2HG2 THR 12 2HG2 THR 12 7.432 -3.928 -2.595 63 3HG2 THR 12 3HG2 THR 12 7.357 -3.735 -0.844 64 HA PRO 13 HA PRO 13 6.127 -5.424 3.243 65 1HB PRO 13 2HB PRO 13 8.994 -5.940 3.104 66 2HB PRO 13 1HB PRO 13 7.727 -6.900 3.872 67 1HG PRO 13 2HG PRO 13 9.043 -7.719 1.647 68 2HG PRO 13 1HG PRO 13 7.362 -8.164 1.991 69 1HD PRO 13 2HD PRO 13 8.427 -6.055 0.148 70 2HD PRO 13 1HD PRO 13 7.080 -7.191 -0.094 71 H GLY 14 H GLY 14 6.553 -3.669 4.479 72 1HA GLY 14 2HA GLY 14 7.940 -1.853 5.188 73 2HA GLY 14 1HA GLY 14 8.616 -1.785 3.566 74 H CYS 15 H CYS 15 5.865 -2.063 2.417 75 HA CYS 15 HA CYS 15 5.336 0.703 2.141 76 1HB CYS 15 2HB CYS 15 3.774 -1.755 1.325 77 2HB CYS 15 1HB CYS 15 3.260 -0.112 0.939 78 H SER 16 H SER 16 4.097 2.024 3.285 79 HA SER 16 HA SER 16 2.779 1.054 5.655 80 1HB SER 16 2HB SER 16 2.745 3.848 4.484 81 2HB SER 16 1HB SER 16 2.412 3.387 6.154 82 HG SER 16 HG SER 16 4.793 2.427 5.559 83 H CYS 17 H CYS 17 0.721 0.412 5.727 84 HA CYS 17 HA CYS 17 -0.884 0.507 3.393 85 1HB CYS 17 2HB CYS 17 -1.089 -1.404 4.819 86 2HB CYS 17 1HB CYS 17 -1.486 -0.399 6.210 87 H THR 18 H THR 18 -1.508 2.460 2.761 88 HA THR 18 HA THR 18 -2.872 4.232 4.644 89 HB THR 18 HB THR 18 -2.303 4.773 1.720 90 HG1 THR 18 1HG THR 18 -0.532 4.485 3.697 91 1HG2 THR 18 1HG2 THR 18 -2.354 6.887 3.807 92 2HG2 THR 18 2HG2 THR 18 -3.896 6.159 3.358 93 3HG2 THR 18 3HG2 THR 18 -2.900 6.941 2.130 94 H TRP 19 H TRP 19 -4.356 2.397 4.757 95 HA TRP 19 HA TRP 19 -5.886 1.065 3.193 96 1HB TRP 19 2HB TRP 19 -6.217 1.532 5.688 97 2HB TRP 19 1HB TRP 19 -7.331 2.796 5.178 98 HD1 TRP 19 HD TRP 19 -6.884 -1.001 4.444 99 HE1 TRP 19 1HE TRP 19 -9.225 -2.069 4.369 100 HE3 TRP 19 3HE TRP 19 -9.711 3.190 5.223 101 HZ2 TRP 19 2HZ TRP 19 -11.912 -1.240 4.602 102 HZ3 TRP 19 3HZ TRP 19 -12.160 2.965 5.279 103 HH2 TRP 19 HH TRP 19 -13.236 0.794 4.975 104 HA PRO 20 HA PRO 20 -6.704 0.251 2.087 105 1HB PRO 20 2HB PRO 20 -7.977 -0.485 -0.134 106 2HB PRO 20 1HB PRO 20 -8.875 -0.012 1.313 107 1HG PRO 20 2HG PRO 20 -8.537 1.434 -1.238 108 2HG PRO 20 1HG PRO 20 -9.808 1.595 -0.016 109 1HD PRO 20 2HD PRO 20 -7.409 3.201 -0.369 110 2HD PRO 20 1HD PRO 20 -8.768 3.466 0.745 111 H ILE 21 H ILE 21 -4.813 2.317 0.864 112 HA ILE 21 HA ILE 21 -3.633 0.510 -1.155 113 HB ILE 21 HB ILE 21 -3.709 3.528 -1.363 114 1HG1 ILE 21 2HG1 ILE 21 -5.059 1.430 -3.080 115 2HG1 ILE 21 1HG1 ILE 21 -5.874 2.431 -1.883 116 1HG2 ILE 21 1HG2 ILE 21 -2.874 1.990 -3.700 117 2HG2 ILE 21 2HG2 ILE 21 -1.776 1.844 -2.327 118 3HG2 ILE 21 3HG2 ILE 21 -2.166 3.436 -2.979 119 1HD1 ILE 21 1HD1 ILE 21 -6.132 4.060 -3.355 120 2HD1 ILE 21 2HD1 ILE 21 -5.477 2.983 -4.589 121 3HD1 ILE 21 3HD1 ILE 21 -4.406 4.079 -3.715 122 H CYS 22 H CYS 22 -1.494 0.094 -0.896 123 HA CYS 22 HA CYS 22 -0.188 1.194 1.422 124 1HB CYS 22 2HB CYS 22 0.383 -1.008 -0.468 125 2HB CYS 22 1HB CYS 22 1.769 -0.269 0.332 126 H THR 23 H THR 23 1.377 2.622 1.574 127 HA THR 23 HA THR 23 2.469 3.785 -0.916 128 HB THR 23 HB THR 23 2.632 5.948 0.337 129 HG1 THR 23 1HG THR 23 0.706 5.353 2.173 130 1HG2 THR 23 1HG2 THR 23 -0.013 4.665 -0.259 131 2HG2 THR 23 2HG2 THR 23 0.826 5.955 -1.123 132 3HG2 THR 23 3HG2 THR 23 0.041 6.292 0.421 133 H ARG 24 H ARG 24 4.644 4.315 -0.911 134 HA ARG 24 HA ARG 24 6.198 3.173 1.294 135 1HB ARG 24 2HB ARG 24 6.598 3.368 -1.562 136 2HB ARG 24 1HB ARG 24 7.934 4.134 -0.713 137 1HG ARG 24 2HG ARG 24 6.969 1.301 -0.384 138 2HG ARG 24 1HG ARG 24 8.476 1.835 -1.131 139 1HD ARG 24 2HD ARG 24 7.702 2.161 1.769 140 2HD ARG 24 1HD ARG 24 8.875 1.013 1.127 141 HE ARG 24 HE ARG 24 9.314 3.774 1.725 142 1HH1 ARG 24 1HH1 ARG 24 10.341 1.175 -0.403 143 2HH1 ARG 24 2HH1 ARG 24 11.862 1.916 -0.769 144 1HH2 ARG 24 1HH2 ARG 24 11.265 4.751 1.251 145 2HH2 ARG 24 2HH2 ARG 24 12.402 3.967 0.183 146 H ASP 25 H ASP 25 6.287 4.638 2.856 147 HA ASP 25 HA ASP 25 6.736 6.530 4.004 148 1HB ASP 25 2HB ASP 25 8.410 7.367 1.624 149 2HB ASP 25 1HB ASP 25 8.563 7.938 3.282 150 H GLY 26 H GLY 26 4.412 6.407 2.417 151 1HA GLY 26 2HA GLY 26 2.682 7.997 2.269 152 2HA GLY 26 1HA GLY 26 3.889 9.268 2.165 153 H LEU 27 H LEU 27 5.180 7.337 0.037 154 HA LEU 27 HA LEU 27 3.753 8.574 -2.176 155 1HB LEU 27 2HB LEU 27 6.264 8.681 -1.918 156 2HB LEU 27 1HB LEU 27 6.299 6.964 -2.266 157 HG LEU 27 HG LEU 27 5.364 7.383 -4.494 158 1HD1 LEU 27 1HD1 LEU 27 4.522 9.345 -5.178 159 2HD1 LEU 27 2HD1 LEU 27 5.799 10.278 -4.398 160 3HD1 LEU 27 3HD1 LEU 27 4.417 9.716 -3.457 161 1HD2 LEU 27 1HD2 LEU 27 7.787 9.049 -3.821 162 2HD2 LEU 27 2HD2 LEU 27 7.318 8.543 -5.444 163 3HD2 LEU 27 3HD2 LEU 27 7.773 7.336 -4.242 164 HA PRO 28 HA PRO 28 1.635 4.653 -2.742 165 1HB PRO 28 2HB PRO 28 0.048 5.454 -4.784 166 2HB PRO 28 1HB PRO 28 -0.258 5.896 -3.100 167 1HG PRO 28 2HG PRO 28 1.056 7.491 -5.269 168 2HG PRO 28 1HG PRO 28 -0.148 8.008 -4.073 169 1HD PRO 28 2HD PRO 28 2.497 8.518 -3.796 170 2HD PRO 28 1HD PRO 28 1.426 8.246 -2.407 171 H VAL 29 H VAL 29 4.237 4.758 -3.839 172 HA VAL 29 HA VAL 29 3.879 3.926 -6.624 173 HB VAL 29 HB VAL 29 6.384 3.882 -6.707 174 1HG1 VAL 29 1HG1 VAL 29 6.404 6.032 -7.369 175 2HG1 VAL 29 2HG1 VAL 29 5.768 6.623 -5.835 176 3HG1 VAL 29 3HG1 VAL 29 4.673 5.945 -7.040 177 1HG2 VAL 29 1HG2 VAL 29 7.455 3.833 -4.748 178 2HG2 VAL 29 2HG2 VAL 29 6.027 4.378 -3.867 179 3HG2 VAL 29 3HG2 VAL 29 7.097 5.557 -4.625 Start of MODEL 18 1 1H CYS 1 H CYS 1 3.203 2.405 -4.001 2 HA CYS 1 HA CYS 1 4.908 0.150 -4.480 3 1HB CYS 1 2HB CYS 1 2.401 0.423 -2.808 4 2HB CYS 1 1HB CYS 1 3.476 -0.964 -2.804 5 H GLY 2 H GLY 2 1.818 1.302 -5.528 6 1HA GLY 2 2HA GLY 2 0.320 0.522 -7.081 7 2HA GLY 2 1HA GLY 2 1.635 -0.472 -7.695 8 H GLU 3 H GLU 3 0.348 -0.637 -4.439 9 HA GLU 3 HA GLU 3 -1.038 -3.127 -5.072 10 1HB GLU 3 2HB GLU 3 1.228 -3.767 -4.398 11 2HB GLU 3 1HB GLU 3 1.070 -2.826 -2.922 12 1HG GLU 3 2HG GLU 3 -0.573 -4.312 -2.059 13 2HG GLU 3 1HG GLU 3 -0.695 -5.160 -3.601 14 H THR 4 H THR 4 -2.879 -3.367 -3.970 15 HA THR 4 HA THR 4 -3.623 -1.236 -2.127 16 HB THR 4 HB THR 4 -5.919 -2.069 -2.416 17 HG1 THR 4 1HG THR 4 -4.805 -4.276 -3.138 18 1HG2 THR 4 1HG2 THR 4 -4.265 -1.326 -4.800 19 2HG2 THR 4 2HG2 THR 4 -5.466 -0.370 -3.930 20 3HG2 THR 4 3HG2 THR 4 -5.982 -1.678 -4.995 21 H CYS 5 H CYS 5 -4.450 -1.607 -0.090 22 HA CYS 5 HA CYS 5 -4.090 -4.319 0.969 23 1HB CYS 5 2HB CYS 5 -3.411 -3.317 3.107 24 2HB CYS 5 1HB CYS 5 -2.316 -2.878 1.803 25 H PHE 6 H PHE 6 -6.432 -4.048 0.027 26 HA PHE 6 HA PHE 6 -8.398 -2.663 1.430 27 1HB PHE 6 2HB PHE 6 -8.447 -5.182 -0.203 28 2HB PHE 6 1HB PHE 6 -9.895 -4.649 0.643 29 HD1 PHE 6 1HD PHE 6 -11.381 -3.807 -0.877 30 HD2 PHE 6 2HD PHE 6 -7.267 -2.788 -1.255 31 HE1 PHE 6 1HE PHE 6 -11.929 -2.299 -2.742 32 HE2 PHE 6 2HE PHE 6 -7.809 -1.278 -3.119 33 HZ PHE 6 HZ PHE 6 -10.141 -1.032 -3.866 34 H GLY 7 H GLY 7 -6.814 -5.712 2.130 35 1HA GLY 7 2HA GLY 7 -8.504 -6.051 4.511 36 2HA GLY 7 1HA GLY 7 -7.465 -7.285 3.809 37 H GLY 8 H GLY 8 -6.127 -4.150 3.974 38 1HA GLY 8 2HA GLY 8 -4.516 -3.196 5.302 39 2HA GLY 8 1HA GLY 8 -5.088 -4.215 6.616 40 H THR 9 H THR 9 -3.762 -5.190 3.479 41 HA THR 9 HA THR 9 -1.297 -6.021 4.726 42 HB THR 9 HB THR 9 -2.789 -7.921 5.189 43 HG1 THR 9 1HG THR 9 -1.184 -9.251 4.782 44 1HG2 THR 9 1HG2 THR 9 -3.526 -7.527 2.408 45 2HG2 THR 9 2HG2 THR 9 -4.363 -8.415 3.682 46 3HG2 THR 9 3HG2 THR 9 -3.091 -9.202 2.749 47 H CYS 10 H CYS 10 0.378 -6.333 3.292 48 HA CYS 10 HA CYS 10 -0.129 -6.221 0.434 49 1HB CYS 10 2HB CYS 10 1.292 -4.064 1.977 50 2HB CYS 10 1HB CYS 10 1.716 -4.386 0.300 51 H ASN 11 H ASN 11 1.427 -7.177 -0.768 52 HA ASN 11 HA ASN 11 3.226 -8.943 0.577 53 1HB ASN 11 2HB ASN 11 2.921 -8.286 -2.363 54 2HB ASN 11 1HB ASN 11 3.885 -9.611 -1.719 55 1HD2 ASN 11 1HD2 ASN 11 0.801 -8.543 -2.657 56 2HD2 ASN 11 2HD2 ASN 11 -0.071 -9.988 -2.248 57 H THR 12 H THR 12 3.507 -5.909 -1.159 58 HA THR 12 HA THR 12 6.326 -5.891 -1.411 59 HB THR 12 HB THR 12 4.617 -3.421 -1.181 60 HG1 THR 12 1HG THR 12 3.533 -4.730 -2.646 61 1HG2 THR 12 1HG2 THR 12 6.688 -3.680 -3.254 62 2HG2 THR 12 2HG2 THR 12 7.294 -3.701 -1.598 63 3HG2 THR 12 3HG2 THR 12 6.335 -2.336 -2.169 64 HA PRO 13 HA PRO 13 7.131 -5.227 2.952 65 1HB PRO 13 2HB PRO 13 9.841 -5.288 2.745 66 2HB PRO 13 1HB PRO 13 8.839 -6.743 2.758 67 1HG PRO 13 2HG PRO 13 10.060 -5.301 0.439 68 2HG PRO 13 1HG PRO 13 9.945 -7.045 0.739 69 1HD PRO 13 2HD PRO 13 8.273 -5.731 -0.944 70 2HD PRO 13 1HD PRO 13 7.775 -7.158 -0.015 71 H GLY 14 H GLY 14 7.315 -3.402 4.074 72 1HA GLY 14 2HA GLY 14 8.354 -1.353 4.652 73 2HA GLY 14 1HA GLY 14 8.931 -1.211 3.000 74 H CYS 15 H CYS 15 6.035 -1.996 2.181 75 HA CYS 15 HA CYS 15 5.185 0.732 1.931 76 1HB CYS 15 2HB CYS 15 3.908 -1.860 1.049 77 2HB CYS 15 1HB CYS 15 3.239 -0.266 0.705 78 H SER 16 H SER 16 4.021 1.814 3.307 79 HA SER 16 HA SER 16 2.750 0.526 5.549 80 1HB SER 16 2HB SER 16 3.950 2.723 5.732 81 2HB SER 16 1HB SER 16 2.696 3.446 4.724 82 HG SER 16 HG SER 16 2.647 3.250 7.294 83 H CYS 17 H CYS 17 0.631 0.037 5.703 84 HA CYS 17 HA CYS 17 -0.953 0.225 3.345 85 1HB CYS 17 2HB CYS 17 -1.187 -1.751 4.679 86 2HB CYS 17 1HB CYS 17 -1.583 -0.805 6.112 87 H THR 18 H THR 18 -1.388 2.322 2.876 88 HA THR 18 HA THR 18 -2.796 3.966 4.828 89 HB THR 18 HB THR 18 -2.168 4.687 1.956 90 HG1 THR 18 1HG THR 18 -0.477 4.366 4.093 91 1HG2 THR 18 1HG2 THR 18 -2.192 6.644 4.195 92 2HG2 THR 18 2HG2 THR 18 -3.745 6.010 3.650 93 3HG2 THR 18 3HG2 THR 18 -2.686 6.847 2.515 94 H TRP 19 H TRP 19 -4.311 2.135 4.777 95 HA TRP 19 HA TRP 19 -5.862 0.977 3.099 96 1HB TRP 19 2HB TRP 19 -6.187 1.228 5.629 97 2HB TRP 19 1HB TRP 19 -7.290 2.541 5.229 98 HD1 TRP 19 HD TRP 19 -6.866 -1.186 4.200 99 HE1 TRP 19 1HE TRP 19 -9.214 -2.229 4.012 100 HE3 TRP 19 3HE TRP 19 -9.672 2.956 5.256 101 HZ2 TRP 19 2HZ TRP 19 -11.898 -1.395 4.270 102 HZ3 TRP 19 3HZ TRP 19 -12.123 2.749 5.262 103 HH2 TRP 19 HH TRP 19 -13.212 0.618 4.779 104 HA PRO 20 HA PRO 20 -6.705 0.269 1.937 105 1HB PRO 20 2HB PRO 20 -7.966 -0.247 -0.353 106 2HB PRO 20 1HB PRO 20 -8.873 0.104 1.123 107 1HG PRO 20 2HG PRO 20 -8.487 1.773 -1.282 108 2HG PRO 20 1HG PRO 20 -9.774 1.833 -0.068 109 1HD PRO 20 2HD PRO 20 -7.369 3.450 -0.243 110 2HD PRO 20 1HD PRO 20 -8.731 3.609 0.887 111 H ILE 21 H ILE 21 -4.930 2.556 0.778 112 HA ILE 21 HA ILE 21 -3.725 0.954 -1.404 113 HB ILE 21 HB ILE 21 -3.566 3.956 -1.077 114 1HG1 ILE 21 2HG1 ILE 21 -5.850 3.229 -1.678 115 2HG1 ILE 21 1HG1 ILE 21 -5.079 4.125 -2.982 116 1HG2 ILE 21 1HG2 ILE 21 -2.583 3.944 -3.304 117 2HG2 ILE 21 2HG2 ILE 21 -2.699 2.185 -3.357 118 3HG2 ILE 21 3HG2 ILE 21 -1.630 2.962 -2.190 119 1HD1 ILE 21 1HD1 ILE 21 -6.114 2.377 -4.076 120 2HD1 ILE 21 2HD1 ILE 21 -5.719 1.214 -2.810 121 3HD1 ILE 21 3HD1 ILE 21 -4.458 1.796 -3.898 122 H CYS 22 H CYS 22 -1.664 0.272 -1.068 123 HA CYS 22 HA CYS 22 -0.329 1.098 1.348 124 1HB CYS 22 2HB CYS 22 0.231 -0.958 -0.742 125 2HB CYS 22 1HB CYS 22 1.522 -0.457 0.348 126 H THR 23 H THR 23 1.223 2.515 1.598 127 HA THR 23 HA THR 23 2.411 3.726 -0.829 128 HB THR 23 HB THR 23 2.630 5.822 0.462 129 HG1 THR 23 1HG THR 23 0.837 5.118 2.430 130 1HG2 THR 23 1HG2 THR 23 -0.003 4.582 -0.110 131 2HG2 THR 23 2HG2 THR 23 0.724 6.050 -0.763 132 3HG2 THR 23 3HG2 THR 23 -0.011 6.068 0.840 133 H ARG 24 H ARG 24 4.596 4.055 -0.856 134 HA ARG 24 HA ARG 24 6.124 2.689 1.216 135 1HB ARG 24 2HB ARG 24 6.562 2.315 -1.254 136 2HB ARG 24 1HB ARG 24 7.153 3.970 -1.326 137 1HG ARG 24 2HG ARG 24 9.018 2.476 -1.138 138 2HG ARG 24 1HG ARG 24 8.863 3.392 0.364 139 1HD ARG 24 2HD ARG 24 7.678 1.471 1.373 140 2HD ARG 24 1HD ARG 24 7.930 0.560 -0.115 141 HE ARG 24 HE ARG 24 10.054 0.120 0.577 142 1HH1 ARG 24 1HH1 ARG 24 8.837 2.810 2.439 143 2HH1 ARG 24 2HH1 ARG 24 10.283 3.015 3.366 144 1HH2 ARG 24 1HH2 ARG 24 11.973 0.347 1.834 145 2HH2 ARG 24 2HH2 ARG 24 12.060 1.594 3.032 146 H ASP 25 H ASP 25 5.986 4.080 2.908 147 HA ASP 25 HA ASP 25 6.485 5.816 4.257 148 1HB ASP 25 2HB ASP 25 8.583 6.367 2.145 149 2HB ASP 25 1HB ASP 25 8.503 7.187 3.703 150 H GLY 26 H GLY 26 4.332 6.125 2.555 151 1HA GLY 26 2HA GLY 26 2.908 8.041 2.519 152 2HA GLY 26 1HA GLY 26 4.325 9.048 2.289 153 H LEU 27 H LEU 27 5.257 7.054 0.151 154 HA LEU 27 HA LEU 27 3.750 8.335 -1.981 155 1HB LEU 27 2HB LEU 27 6.334 6.795 -1.972 156 2HB LEU 27 1HB LEU 27 5.558 7.356 -3.443 157 HG LEU 27 HG LEU 27 6.418 9.179 -1.209 158 1HD1 LEU 27 1HD1 LEU 27 8.081 7.782 -2.938 159 2HD1 LEU 27 2HD1 LEU 27 8.497 9.224 -2.010 160 3HD1 LEU 27 3HD1 LEU 27 7.924 9.379 -3.670 161 1HD2 LEU 27 1HD2 LEU 27 5.181 9.555 -3.888 162 2HD2 LEU 27 2HD2 LEU 27 6.314 10.771 -3.297 163 3HD2 LEU 27 3HD2 LEU 27 4.862 10.393 -2.369 164 HA PRO 28 HA PRO 28 1.489 4.500 -2.531 165 1HB PRO 28 2HB PRO 28 -0.167 5.416 -4.461 166 2HB PRO 28 1HB PRO 28 -0.376 5.835 -2.756 167 1HG PRO 28 2HG PRO 28 0.878 7.429 -4.959 168 2HG PRO 28 1HG PRO 28 -0.234 7.964 -3.684 169 1HD PRO 28 2HD PRO 28 2.460 8.348 -3.563 170 2HD PRO 28 1HD PRO 28 1.445 8.139 -2.122 171 H VAL 29 H VAL 29 4.068 4.863 -3.783 172 HA VAL 29 HA VAL 29 3.684 4.152 -6.577 173 HB VAL 29 HB VAL 29 6.152 4.162 -6.712 174 1HG1 VAL 29 1HG1 VAL 29 6.196 6.700 -5.668 175 2HG1 VAL 29 2HG1 VAL 29 4.479 6.432 -5.970 176 3HG1 VAL 29 3HG1 VAL 29 5.644 6.263 -7.284 177 1HG2 VAL 29 1HG2 VAL 29 6.084 5.042 -3.827 178 2HG2 VAL 29 2HG2 VAL 29 7.511 4.842 -4.844 179 3HG2 VAL 29 3HG2 VAL 29 6.561 3.434 -4.371 Start of MODEL 19 1 1H CYS 1 H CYS 1 3.458 2.370 -3.900 2 HA CYS 1 HA CYS 1 5.331 0.223 -4.242 3 1HB CYS 1 2HB CYS 1 2.854 0.571 -2.556 4 2HB CYS 1 1HB CYS 1 3.765 -0.928 -2.599 5 H GLY 2 H GLY 2 2.220 1.119 -5.446 6 1HA GLY 2 2HA GLY 2 0.859 0.159 -7.028 7 2HA GLY 2 1HA GLY 2 2.218 -0.875 -7.445 8 H GLU 3 H GLU 3 0.548 -0.634 -4.344 9 HA GLU 3 HA GLU 3 -0.731 -3.211 -4.753 10 1HB GLU 3 2HB GLU 3 1.369 -3.936 -3.877 11 2HB GLU 3 1HB GLU 3 1.368 -2.678 -2.651 12 1HG GLU 3 2HG GLU 3 0.886 -4.777 -1.619 13 2HG GLU 3 1HG GLU 3 -0.557 -3.771 -1.572 14 H THR 4 H THR 4 -2.527 -3.499 -3.528 15 HA THR 4 HA THR 4 -3.359 -1.183 -1.914 16 HB THR 4 HB THR 4 -5.679 -2.009 -2.285 17 HG1 THR 4 1HG THR 4 -4.345 -4.115 -3.327 18 1HG2 THR 4 1HG2 THR 4 -4.912 -0.216 -3.667 19 2HG2 THR 4 2HG2 THR 4 -5.771 -1.351 -4.709 20 3HG2 THR 4 3HG2 THR 4 -4.007 -1.321 -4.702 21 H CYS 5 H CYS 5 -4.317 -1.512 0.093 22 HA CYS 5 HA CYS 5 -4.043 -4.221 1.179 23 1HB CYS 5 2HB CYS 5 -3.443 -3.185 3.358 24 2HB CYS 5 1HB CYS 5 -2.251 -2.914 2.093 25 H PHE 6 H PHE 6 -6.358 -3.848 0.167 26 HA PHE 6 HA PHE 6 -8.315 -2.444 1.569 27 1HB PHE 6 2HB PHE 6 -8.415 -4.942 -0.102 28 2HB PHE 6 1HB PHE 6 -9.861 -4.340 0.700 29 HD1 PHE 6 1HD PHE 6 -7.073 -2.780 -1.254 30 HD2 PHE 6 2HD PHE 6 -11.268 -3.251 -0.719 31 HE1 PHE 6 1HE PHE 6 -7.483 -1.243 -3.131 32 HE2 PHE 6 2HE PHE 6 -11.685 -1.715 -2.594 33 HZ PHE 6 HZ PHE 6 -9.791 -0.708 -3.802 34 H GLY 7 H GLY 7 -6.879 -5.591 2.165 35 1HA GLY 7 2HA GLY 7 -8.558 -5.899 4.561 36 2HA GLY 7 1HA GLY 7 -7.646 -7.187 3.783 37 H GLY 8 H GLY 8 -6.116 -4.126 4.133 38 1HA GLY 8 2HA GLY 8 -4.421 -3.369 5.482 39 2HA GLY 8 1HA GLY 8 -4.999 -4.477 6.718 40 H THR 9 H THR 9 -3.814 -5.250 3.474 41 HA THR 9 HA THR 9 -1.333 -6.252 4.553 42 HB THR 9 HB THR 9 -2.866 -8.150 4.903 43 HG1 THR 9 1HG THR 9 -1.384 -9.549 4.229 44 1HG2 THR 9 1HG2 THR 9 -4.461 -7.728 3.105 45 2HG2 THR 9 2HG2 THR 9 -3.799 -9.357 2.979 46 3HG2 THR 9 3HG2 THR 9 -3.220 -8.086 1.904 47 H CYS 10 H CYS 10 0.281 -6.403 3.031 48 HA CYS 10 HA CYS 10 -0.411 -5.877 0.233 49 1HB CYS 10 2HB CYS 10 1.522 -4.284 1.927 50 2HB CYS 10 1HB CYS 10 1.543 -4.248 0.167 51 H ASN 11 H ASN 11 0.844 -6.906 -1.237 52 HA ASN 11 HA ASN 11 2.443 -9.068 -0.374 53 1HB ASN 11 2HB ASN 11 2.729 -9.605 -2.643 54 2HB ASN 11 1HB ASN 11 1.170 -8.798 -2.599 55 1HD2 ASN 11 1HD2 ASN 11 0.856 -7.025 -3.806 56 2HD2 ASN 11 2HD2 ASN 11 2.080 -6.283 -4.790 57 H THR 12 H THR 12 3.213 -5.815 -1.417 58 HA THR 12 HA THR 12 6.036 -6.259 -1.557 59 HB THR 12 HB THR 12 4.727 -3.568 -1.256 60 HG1 THR 12 1HG THR 12 4.522 -5.421 -3.342 61 1HG2 THR 12 1HG2 THR 12 7.290 -4.029 -1.387 62 2HG2 THR 12 2HG2 THR 12 6.592 -2.737 -2.365 63 3HG2 THR 12 3HG2 THR 12 6.972 -4.293 -3.102 64 HA PRO 13 HA PRO 13 6.441 -5.995 2.911 65 1HB PRO 13 2HB PRO 13 9.082 -6.611 2.989 66 2HB PRO 13 1HB PRO 13 7.820 -7.830 2.773 67 1HG PRO 13 2HG PRO 13 9.581 -6.540 0.727 68 2HG PRO 13 1HG PRO 13 9.084 -8.237 0.869 69 1HD PRO 13 2HD PRO 13 7.931 -6.489 -0.867 70 2HD PRO 13 1HD PRO 13 7.060 -7.858 -0.150 71 H GLY 14 H GLY 14 6.906 -4.294 4.175 72 1HA GLY 14 2HA GLY 14 8.302 -2.529 4.931 73 2HA GLY 14 1HA GLY 14 9.002 -2.432 3.324 74 H CYS 15 H CYS 15 6.082 -2.571 2.284 75 HA CYS 15 HA CYS 15 5.794 0.273 2.120 76 1HB CYS 15 2HB CYS 15 4.134 -2.020 1.079 77 2HB CYS 15 1HB CYS 15 3.671 -0.333 0.854 78 H SER 16 H SER 16 4.532 1.598 3.247 79 HA SER 16 HA SER 16 3.179 0.552 5.563 80 1HB SER 16 2HB SER 16 3.420 3.407 4.570 81 2HB SER 16 1HB SER 16 2.915 2.897 6.183 82 HG SER 16 HG SER 16 5.259 3.524 5.760 83 H CYS 17 H CYS 17 1.142 -0.074 5.538 84 HA CYS 17 HA CYS 17 -0.521 0.293 3.286 85 1HB CYS 17 2HB CYS 17 -0.863 -1.694 4.532 86 2HB CYS 17 1HB CYS 17 -1.043 -0.806 6.044 87 H THR 18 H THR 18 -1.437 2.083 2.732 88 HA THR 18 HA THR 18 -2.529 3.870 4.789 89 HB THR 18 HB THR 18 -1.966 4.603 1.907 90 HG1 THR 18 1HG THR 18 -0.182 4.072 3.819 91 1HG2 THR 18 1HG2 THR 18 -2.471 6.751 2.484 92 2HG2 THR 18 2HG2 THR 18 -1.874 6.562 4.133 93 3HG2 THR 18 3HG2 THR 18 -3.460 5.931 3.693 94 H TRP 19 H TRP 19 -4.119 2.134 4.807 95 HA TRP 19 HA TRP 19 -5.730 0.985 3.175 96 1HB TRP 19 2HB TRP 19 -6.035 1.325 5.698 97 2HB TRP 19 1HB TRP 19 -7.082 2.672 5.261 98 HD1 TRP 19 HD TRP 19 -6.819 -1.095 4.332 99 HE1 TRP 19 1HE TRP 19 -9.207 -2.044 4.177 100 HE3 TRP 19 3HE TRP 19 -9.446 3.187 5.284 101 HZ2 TRP 19 2HZ TRP 19 -11.855 -1.093 4.420 102 HZ3 TRP 19 3HZ TRP 19 -11.904 3.081 5.300 103 HH2 TRP 19 HH TRP 19 -13.082 0.986 4.876 104 HA PRO 20 HA PRO 20 -6.649 0.279 2.061 105 1HB PRO 20 2HB PRO 20 -7.954 -0.252 -0.200 106 2HB PRO 20 1HB PRO 20 -8.826 0.207 1.267 107 1HG PRO 20 2HG PRO 20 -8.360 1.761 -1.202 108 2HG PRO 20 1HG PRO 20 -9.639 1.934 0.010 109 1HD PRO 20 2HD PRO 20 -7.158 3.417 -0.226 110 2HD PRO 20 1HD PRO 20 -8.500 3.677 0.908 111 H ILE 21 H ILE 21 -4.641 2.308 0.895 112 HA ILE 21 HA ILE 21 -3.513 0.459 -1.113 113 HB ILE 21 HB ILE 21 -3.531 3.472 -1.401 114 1HG1 ILE 21 2HG1 ILE 21 -4.962 1.369 -3.045 115 2HG1 ILE 21 1HG1 ILE 21 -5.732 2.428 -1.868 116 1HG2 ILE 21 1HG2 ILE 21 -2.604 1.479 -3.448 117 2HG2 ILE 21 2HG2 ILE 21 -1.511 2.162 -2.244 118 3HG2 ILE 21 3HG2 ILE 21 -2.326 3.220 -3.397 119 1HD1 ILE 21 1HD1 ILE 21 -5.452 2.896 -4.567 120 2HD1 ILE 21 2HD1 ILE 21 -4.208 3.909 -3.835 121 3HD1 ILE 21 3HD1 ILE 21 -5.891 4.082 -3.338 122 H CYS 22 H CYS 22 -1.350 0.052 -0.872 123 HA CYS 22 HA CYS 22 -0.043 1.151 1.434 124 1HB CYS 22 2HB CYS 22 0.575 -0.985 -0.521 125 2HB CYS 22 1HB CYS 22 1.942 -0.231 0.296 126 H THR 23 H THR 23 1.550 2.601 1.579 127 HA THR 23 HA THR 23 2.541 3.789 -0.931 128 HB THR 23 HB THR 23 2.454 6.012 0.038 129 HG1 THR 23 1HG THR 23 0.953 5.295 2.265 130 1HG2 THR 23 1HG2 THR 23 0.424 5.972 -0.930 131 2HG2 THR 23 2HG2 THR 23 -0.194 5.858 0.719 132 3HG2 THR 23 3HG2 THR 23 0.023 4.397 -0.246 133 H ARG 24 H ARG 24 4.605 4.893 -0.676 134 HA ARG 24 HA ARG 24 6.302 3.496 1.236 135 1HB ARG 24 2HB ARG 24 6.684 4.297 -1.393 136 2HB ARG 24 1HB ARG 24 7.601 5.482 -0.474 137 1HG ARG 24 2HG ARG 24 7.919 2.513 -0.119 138 2HG ARG 24 1HG ARG 24 8.879 3.462 -1.248 139 1HD ARG 24 2HD ARG 24 10.172 3.219 0.728 140 2HD ARG 24 1HD ARG 24 9.593 4.880 0.697 141 HE ARG 24 HE ARG 24 8.634 4.482 2.718 142 1HH1 ARG 24 1HH1 ARG 24 8.816 1.384 1.051 143 2HH1 ARG 24 2HH1 ARG 24 8.129 0.507 2.378 144 1HH2 ARG 24 1HH2 ARG 24 7.760 3.324 4.440 145 2HH2 ARG 24 2HH2 ARG 24 7.519 1.599 4.300 146 H ASP 25 H ASP 25 4.722 4.924 2.643 147 HA ASP 25 HA ASP 25 4.559 6.455 4.291 148 1HB ASP 25 2HB ASP 25 7.437 7.164 3.697 149 2HB ASP 25 1HB ASP 25 6.552 7.481 5.188 150 H GLY 26 H GLY 26 3.592 7.175 1.825 151 1HA GLY 26 2HA GLY 26 2.835 9.696 1.950 152 2HA GLY 26 1HA GLY 26 4.472 9.923 1.359 153 H LEU 27 H LEU 27 4.695 7.834 -0.443 154 HA LEU 27 HA LEU 27 2.662 8.580 -2.420 155 1HB LEU 27 2HB LEU 27 5.559 7.865 -2.816 156 2HB LEU 27 1HB LEU 27 4.413 8.049 -4.131 157 HG LEU 27 HG LEU 27 5.127 10.228 -2.181 158 1HD1 LEU 27 1HD1 LEU 27 6.397 11.208 -4.033 159 2HD1 LEU 27 2HD1 LEU 27 6.068 9.774 -5.007 160 3HD1 LEU 27 3HD1 LEU 27 7.051 9.643 -3.548 161 1HD2 LEU 27 1HD2 LEU 27 4.101 11.252 -4.580 162 2HD2 LEU 27 2HD2 LEU 27 3.335 11.257 -2.992 163 3HD2 LEU 27 3HD2 LEU 27 3.030 9.930 -4.112 164 HA PRO 28 HA PRO 28 1.618 4.260 -2.476 165 1HB PRO 28 2HB PRO 28 -0.224 4.374 -4.436 166 2HB PRO 28 1HB PRO 28 -0.530 5.031 -2.824 167 1HG PRO 28 2HG PRO 28 0.262 6.461 -5.332 168 2HG PRO 28 1HG PRO 28 -0.945 6.919 -4.117 169 1HD PRO 28 2HD PRO 28 1.575 7.973 -4.208 170 2HD PRO 28 1HD PRO 28 0.631 7.820 -2.713 171 H VAL 29 H VAL 29 4.022 5.042 -3.857 172 HA VAL 29 HA VAL 29 3.916 4.048 -6.547 173 HB VAL 29 HB VAL 29 6.390 4.244 -6.492 174 1HG1 VAL 29 1HG1 VAL 29 4.695 6.169 -6.888 175 2HG1 VAL 29 2HG1 VAL 29 6.402 6.552 -6.664 176 3HG1 VAL 29 3HG1 VAL 29 5.269 6.762 -5.330 177 1HG2 VAL 29 1HG2 VAL 29 7.287 5.493 -4.428 178 2HG2 VAL 29 2HG2 VAL 29 7.033 3.753 -4.302 179 3HG2 VAL 29 3HG2 VAL 29 5.857 4.868 -3.606 Start of MODEL 20 1 1H CYS 1 H CYS 1 3.425 2.246 -3.841 2 HA CYS 1 HA CYS 1 5.039 -0.091 -4.227 3 1HB CYS 1 2HB CYS 1 2.464 0.228 -2.668 4 2HB CYS 1 1HB CYS 1 3.612 -1.091 -2.532 5 H GLY 2 H GLY 2 2.084 1.203 -5.458 6 1HA GLY 2 2HA GLY 2 0.617 0.468 -7.061 7 2HA GLY 2 1HA GLY 2 1.887 -0.638 -7.565 8 H GLU 3 H GLU 3 0.286 -0.512 -4.437 9 HA GLU 3 HA GLU 3 -1.215 -2.934 -5.025 10 1HB GLU 3 2HB GLU 3 1.078 -3.593 -4.202 11 2HB GLU 3 1HB GLU 3 0.688 -2.801 -2.683 12 1HG GLU 3 2HG GLU 3 -1.259 -4.326 -2.463 13 2HG GLU 3 1HG GLU 3 -0.689 -5.179 -3.896 14 H THR 4 H THR 4 -2.882 -3.352 -3.504 15 HA THR 4 HA THR 4 -3.457 -1.114 -1.685 16 HB THR 4 HB THR 4 -5.892 -1.632 -2.111 17 HG1 THR 4 1HG THR 4 -4.947 -2.846 -4.502 18 1HG2 THR 4 1HG2 THR 4 -4.034 -0.392 -4.088 19 2HG2 THR 4 2HG2 THR 4 -5.285 0.355 -3.093 20 3HG2 THR 4 3HG2 THR 4 -5.733 -0.570 -4.526 21 H CYS 5 H CYS 5 -4.409 -1.634 0.288 22 HA CYS 5 HA CYS 5 -4.246 -4.476 0.982 23 1HB CYS 5 2HB CYS 5 -3.785 -3.843 3.252 24 2HB CYS 5 1HB CYS 5 -2.685 -2.970 2.193 25 H PHE 6 H PHE 6 -6.470 -4.247 -0.177 26 HA PHE 6 HA PHE 6 -8.661 -3.130 1.143 27 1HB PHE 6 2HB PHE 6 -8.365 -5.418 -0.773 28 2HB PHE 6 1HB PHE 6 -9.922 -5.118 -0.009 29 HD1 PHE 6 1HD PHE 6 -11.237 -4.392 -1.782 30 HD2 PHE 6 2HD PHE 6 -7.424 -2.614 -1.147 31 HE1 PHE 6 1HE PHE 6 -11.755 -2.683 -3.474 32 HE2 PHE 6 2HE PHE 6 -7.935 -0.902 -2.839 33 HZ PHE 6 HZ PHE 6 -10.103 -0.935 -4.004 34 H GLY 7 H GLY 7 -6.857 -6.048 1.768 35 1HA GLY 7 2HA GLY 7 -8.766 -6.786 3.885 36 2HA GLY 7 1HA GLY 7 -7.566 -7.863 3.182 37 H GLY 8 H GLY 8 -6.504 -4.668 3.792 38 1HA GLY 8 2HA GLY 8 -5.128 -3.749 5.382 39 2HA GLY 8 1HA GLY 8 -5.736 -4.948 6.513 40 H THR 9 H THR 9 -4.023 -5.527 3.468 41 HA THR 9 HA THR 9 -1.609 -6.252 4.891 42 HB THR 9 HB THR 9 -3.050 -8.307 3.203 43 HG1 THR 9 1HG THR 9 -3.320 -7.664 5.816 44 1HG2 THR 9 1HG2 THR 9 -1.316 -9.844 4.077 45 2HG2 THR 9 2HG2 THR 9 -0.515 -8.470 4.837 46 3HG2 THR 9 3HG2 THR 9 -0.641 -8.555 3.080 47 H CYS 10 H CYS 10 0.203 -6.005 3.658 48 HA CYS 10 HA CYS 10 -0.154 -5.567 0.770 49 1HB CYS 10 2HB CYS 10 1.806 -4.073 2.537 50 2HB CYS 10 1HB CYS 10 1.558 -3.837 0.813 51 H ASN 11 H ASN 11 1.134 -6.756 -0.476 52 HA ASN 11 HA ASN 11 2.922 -8.664 0.727 53 1HB ASN 11 2HB ASN 11 2.226 -8.037 -2.149 54 2HB ASN 11 1HB ASN 11 3.326 -9.327 -1.674 55 1HD2 ASN 11 1HD2 ASN 11 0.070 -8.317 -1.972 56 2HD2 ASN 11 2HD2 ASN 11 -0.662 -9.808 -1.474 57 H THR 12 H THR 12 3.172 -5.663 -1.053 58 HA THR 12 HA THR 12 5.924 -5.774 -1.659 59 HB THR 12 HB THR 12 4.384 -3.234 -1.119 60 HG1 THR 12 1HG THR 12 3.102 -4.480 -2.516 61 1HG2 THR 12 1HG2 THR 12 6.020 -2.171 -2.266 62 2HG2 THR 12 2HG2 THR 12 6.217 -3.498 -3.412 63 3HG2 THR 12 3HG2 THR 12 6.982 -3.582 -1.826 64 HA PRO 13 HA PRO 13 7.428 -5.411 2.531 65 1HB PRO 13 2HB PRO 13 10.073 -5.338 1.879 66 2HB PRO 13 1HB PRO 13 9.119 -6.825 1.938 67 1HG PRO 13 2HG PRO 13 9.887 -5.158 -0.425 68 2HG PRO 13 1HG PRO 13 9.875 -6.924 -0.255 69 1HD PRO 13 2HD PRO 13 7.905 -5.581 -1.525 70 2HD PRO 13 1HD PRO 13 7.599 -7.068 -0.604 71 H GLY 14 H GLY 14 7.795 -3.754 3.817 72 1HA GLY 14 2HA GLY 14 8.556 -1.719 4.583 73 2HA GLY 14 1HA GLY 14 9.383 -1.492 3.052 74 H CYS 15 H CYS 15 6.035 -2.213 2.811 75 HA CYS 15 HA CYS 15 5.554 0.605 2.173 76 1HB CYS 15 2HB CYS 15 4.275 -1.931 1.178 77 2HB CYS 15 1HB CYS 15 3.498 -0.365 0.974 78 H SER 16 H SER 16 4.378 1.761 3.509 79 HA SER 16 HA SER 16 2.798 0.441 5.578 80 1HB SER 16 2HB SER 16 3.282 3.409 5.177 81 2HB SER 16 1HB SER 16 2.718 2.605 6.644 82 HG SER 16 HG SER 16 4.958 1.434 6.100 83 H CYS 17 H CYS 17 0.696 0.043 5.118 84 HA CYS 17 HA CYS 17 -0.423 1.285 2.798 85 1HB CYS 17 2HB CYS 17 -0.828 -1.108 3.398 86 2HB CYS 17 1HB CYS 17 -1.866 -0.539 4.705 87 H THR 18 H THR 18 -1.419 3.070 2.706 88 HA THR 18 HA THR 18 -2.720 4.207 5.060 89 HB THR 18 HB THR 18 -2.352 5.448 2.308 90 HG1 THR 18 1HG THR 18 -0.310 5.530 2.950 91 1HG2 THR 18 1HG2 THR 18 -3.251 6.502 4.979 92 2HG2 THR 18 2HG2 THR 18 -4.059 6.625 3.416 93 3HG2 THR 18 3HG2 THR 18 -2.605 7.571 3.734 94 H TRP 19 H TRP 19 -4.115 2.368 4.915 95 HA TRP 19 HA TRP 19 -5.610 1.167 3.239 96 1HB TRP 19 2HB TRP 19 -5.936 1.212 5.754 97 2HB TRP 19 1HB TRP 19 -7.098 2.508 5.484 98 HD1 TRP 19 HD TRP 19 -6.555 -1.146 4.244 99 HE1 TRP 19 1HE TRP 19 -8.869 -2.231 3.952 100 HE3 TRP 19 3HE TRP 19 -9.497 2.867 5.443 101 HZ2 TRP 19 2HZ TRP 19 -11.579 -1.489 4.196 102 HZ3 TRP 19 3HZ TRP 19 -11.942 2.593 5.386 103 HH2 TRP 19 HH TRP 19 -12.960 0.459 4.775 104 HA PRO 20 HA PRO 20 -6.565 0.372 2.201 105 1HB PRO 20 2HB PRO 20 -7.879 -0.232 -0.038 106 2HB PRO 20 1HB PRO 20 -8.743 0.097 1.468 107 1HG PRO 20 2HG PRO 20 -8.518 1.753 -0.967 108 2HG PRO 20 1HG PRO 20 -9.768 1.762 0.286 109 1HD PRO 20 2HD PRO 20 -7.467 3.504 0.016 110 2HD PRO 20 1HD PRO 20 -8.783 3.587 1.206 111 H ILE 21 H ILE 21 -4.743 2.557 1.079 112 HA ILE 21 HA ILE 21 -3.687 0.965 -1.178 113 HB ILE 21 HB ILE 21 -3.549 3.970 -0.898 114 1HG1 ILE 21 2HG1 ILE 21 -5.091 2.257 -2.863 115 2HG1 ILE 21 1HG1 ILE 21 -5.798 3.118 -1.500 116 1HG2 ILE 21 1HG2 ILE 21 -1.566 3.016 -1.976 117 2HG2 ILE 21 2HG2 ILE 21 -2.540 3.944 -3.116 118 3HG2 ILE 21 3HG2 ILE 21 -2.600 2.182 -3.136 119 1HD1 ILE 21 1HD1 ILE 21 -4.231 4.658 -3.500 120 2HD1 ILE 21 2HD1 ILE 21 -5.606 5.154 -2.513 121 3HD1 ILE 21 3HD1 ILE 21 -5.857 4.115 -3.917 122 H CYS 22 H CYS 22 -1.689 0.202 -0.925 123 HA CYS 22 HA CYS 22 -0.147 0.806 1.411 124 1HB CYS 22 2HB CYS 22 0.807 -0.690 -1.038 125 2HB CYS 22 1HB CYS 22 1.385 -0.850 0.616 126 H THR 23 H THR 23 1.405 2.301 1.668 127 HA THR 23 HA THR 23 2.481 3.613 -0.745 128 HB THR 23 HB THR 23 2.538 5.733 0.669 129 HG1 THR 23 1HG THR 23 1.633 4.070 2.524 130 1HG2 THR 23 1HG2 THR 23 0.498 6.418 -0.150 131 2HG2 THR 23 2HG2 THR 23 -0.309 4.913 0.287 132 3HG2 THR 23 3HG2 THR 23 0.758 4.967 -1.118 133 H ARG 24 H ARG 24 4.602 4.059 -0.761 134 HA ARG 24 HA ARG 24 6.217 3.069 1.474 135 1HB ARG 24 2HB ARG 24 6.480 2.812 -1.284 136 2HB ARG 24 1HB ARG 24 7.634 4.077 -0.886 137 1HG ARG 24 2HG ARG 24 7.546 1.338 0.366 138 2HG ARG 24 1HG ARG 24 8.653 1.851 -0.908 139 1HD ARG 24 2HD ARG 24 9.552 3.575 0.604 140 2HD ARG 24 1HD ARG 24 8.480 2.994 1.877 141 HE ARG 24 HE ARG 24 10.013 0.848 0.923 142 1HH1 ARG 24 1HH1 ARG 24 10.352 3.800 2.785 143 2HH1 ARG 24 2HH1 ARG 24 11.729 3.218 3.676 144 1HH2 ARG 24 1HH2 ARG 24 11.828 0.083 2.098 145 2HH2 ARG 24 2HH2 ARG 24 12.568 1.104 3.284 146 H ASP 25 H ASP 25 6.398 4.627 2.963 147 HA ASP 25 HA ASP 25 6.821 6.606 3.976 148 1HB ASP 25 2HB ASP 25 8.411 7.126 1.451 149 2HB ASP 25 1HB ASP 25 8.463 8.146 2.884 150 H GLY 26 H GLY 26 4.421 6.323 2.574 151 1HA GLY 26 2HA GLY 26 2.618 7.805 2.388 152 2HA GLY 26 1HA GLY 26 3.754 9.131 2.219 153 H LEU 27 H LEU 27 5.029 7.127 0.093 154 HA LEU 27 HA LEU 27 3.506 8.300 -2.091 155 1HB LEU 27 2HB LEU 27 6.171 6.906 -2.018 156 2HB LEU 27 1HB LEU 27 5.403 7.448 -3.498 157 HG LEU 27 HG LEU 27 6.118 9.279 -1.223 158 1HD1 LEU 27 1HD1 LEU 27 8.122 9.804 -2.247 159 2HD1 LEU 27 2HD1 LEU 27 7.611 9.159 -3.807 160 3HD1 LEU 27 3HD1 LEU 27 8.031 8.061 -2.494 161 1HD2 LEU 27 1HD2 LEU 27 5.990 10.612 -3.690 162 2HD2 LEU 27 2HD2 LEU 27 4.885 10.757 -2.324 163 3HD2 LEU 27 3HD2 LEU 27 4.559 9.586 -3.601 164 HA PRO 28 HA PRO 28 1.498 4.356 -2.727 165 1HB PRO 28 2HB PRO 28 0.309 5.552 -5.099 166 2HB PRO 28 1HB PRO 28 -0.469 5.081 -3.588 167 1HG PRO 28 2HG PRO 28 -0.168 7.671 -4.356 168 2HG PRO 28 1HG PRO 28 -0.222 7.162 -2.659 169 1HD PRO 28 2HD PRO 28 2.147 7.852 -4.356 170 2HD PRO 28 1HD PRO 28 1.820 8.258 -2.657 171 H VAL 29 H VAL 29 4.173 4.707 -3.697 172 HA VAL 29 HA VAL 29 4.166 3.920 -6.487 173 HB VAL 29 HB VAL 29 6.628 3.841 -6.263 174 1HG1 VAL 29 1HG1 VAL 29 5.127 6.288 -5.401 175 2HG1 VAL 29 2HG1 VAL 29 5.833 5.914 -6.973 176 3HG1 VAL 29 3HG1 VAL 29 6.878 6.315 -5.609 177 1HG2 VAL 29 1HG2 VAL 29 6.018 3.680 -3.492 178 2HG2 VAL 29 2HG2 VAL 29 6.954 5.150 -3.765 179 3HG2 VAL 29 3HG2 VAL 29 7.594 3.588 -4.279
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