NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2155 | 1bh4 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 H CYS 1 3.608 2.170 -5.499 2 HA CYS 1 HA CYS 1 5.930 0.435 -5.970 3 1HB CYS 1 2HB CYS 1 4.160 1.189 -3.745 4 2HB CYS 1 1HB CYS 1 4.719 -0.445 -3.658 5 H GLY 2 H GLY 2 2.419 0.126 -5.541 6 1HA GLY 2 2HA GLY 2 2.453 -2.366 -7.125 7 2HA GLY 2 1HA GLY 2 1.782 -2.444 -5.494 8 H GLU 3 H GLU 3 -0.059 -1.287 -5.036 9 HA GLU 3 HA GLU 3 -1.546 0.441 -6.654 10 1HB GLU 3 2HB GLU 3 -1.532 -2.017 -7.905 11 2HB GLU 3 1HB GLU 3 -2.952 -2.184 -6.935 12 1HG GLU 3 2HG GLU 3 -3.277 0.391 -8.037 13 2HG GLU 3 1HG GLU 3 -2.495 -0.492 -9.332 14 H SER 4 H SER 4 -4.102 -0.122 -6.310 15 HA SER 4 HA SER 4 -4.693 0.601 -3.715 16 1HB SER 4 2HB SER 4 -6.609 -1.053 -5.399 17 2HB SER 4 1HB SER 4 -7.005 0.235 -4.264 18 HG SER 4 HG SER 4 -5.438 0.577 -6.596 19 H CYS 5 H CYS 5 -5.524 -0.231 -2.012 20 HA CYS 5 HA CYS 5 -5.278 -3.129 -1.533 21 1HB CYS 5 2HB CYS 5 -4.551 -2.149 0.872 22 2HB CYS 5 1HB CYS 5 -3.400 -2.394 -0.405 23 H VAL 6 H VAL 6 -7.566 -1.732 -2.228 24 HA VAL 6 HA VAL 6 -9.231 -1.042 0.012 25 HB VAL 6 HB VAL 6 -9.981 -1.938 -2.818 26 1HG1 VAL 6 1HG1 VAL 6 -11.637 -0.620 -0.619 27 2HG1 VAL 6 3HG1 VAL 6 -12.132 -0.660 -2.305 28 3HG1 VAL 6 2HG1 VAL 6 -11.958 -2.157 -1.409 29 1HG2 VAL 6 1HG2 VAL 6 -8.563 0.112 -2.722 30 2HG2 VAL 6 3HG2 VAL 6 -10.189 0.489 -3.262 31 3HG2 VAL 6 2HG2 VAL 6 -9.705 0.851 -1.612 32 H TRP 7 H TRP 7 -9.338 -3.897 -2.080 33 HA TRP 7 HA TRP 7 -11.083 -5.373 -0.386 34 1HB TRP 7 2HB TRP 7 -10.632 -5.692 -2.904 35 2HB TRP 7 1HB TRP 7 -9.191 -6.579 -2.443 36 HD1 TRP 7 HD1 TRP 7 -9.539 -9.150 -1.878 37 HE1 TRP 7 HE1 TRP 7 -11.588 -10.508 -1.470 38 HE3 TRP 7 HE3 TRP 7 -13.052 -5.517 -1.850 39 HZ2 TRP 7 HZ2 TRP 7 -14.414 -10.220 -1.151 40 HZ3 TRP 7 HZ3 TRP 7 -15.432 -6.074 -1.491 41 HH2 TRP 7 HH2 TRP 7 -16.113 -8.424 -1.141 42 H ILE 8 H ILE 8 -7.619 -5.677 -0.981 43 HA ILE 8 HA ILE 8 -7.281 -6.912 1.666 44 HB ILE 8 HB ILE 8 -5.290 -8.165 0.306 45 1HG1 ILE 8 2HG1 ILE 8 -6.158 -9.006 -1.884 46 2HG1 ILE 8 1HG1 ILE 8 -7.479 -7.867 -1.806 47 1HG2 ILE 8 1HG2 ILE 8 -7.016 -9.278 1.683 48 2HG2 ILE 8 3HG2 ILE 8 -8.186 -9.100 0.383 49 3HG2 ILE 8 2HG2 ILE 8 -6.789 -10.146 0.175 50 1HD1 ILE 8 2HD1 ILE 8 -4.620 -6.871 -1.591 51 2HD1 ILE 8 1HD1 ILE 8 -5.304 -7.252 -3.160 52 3HD1 ILE 8 3HD1 ILE 8 -6.044 -6.013 -2.166 53 HA PRO 9 HA PRO 9 -3.862 -4.035 1.953 54 1HB PRO 9 2HB PRO 9 -2.365 -5.316 3.918 55 2HB PRO 9 1HB PRO 9 -3.747 -4.274 4.224 56 1HG PRO 9 2HG PRO 9 -3.563 -7.222 4.392 57 2HG PRO 9 1HG PRO 9 -4.719 -6.140 5.156 58 1HD PRO 9 2HD PRO 9 -5.182 -7.773 2.844 59 2HD PRO 9 1HD PRO 9 -6.267 -6.534 3.503 60 H CYS 10 H CYS 10 -1.461 -4.015 1.804 61 HA CYS 10 HA CYS 10 -0.558 -5.843 -0.329 62 1HB CYS 10 2HB CYS 10 1.503 -4.054 0.447 63 2HB CYS 10 1HB CYS 10 0.551 -4.044 -1.002 64 H ILE 11 H ILE 11 1.878 -6.379 -0.150 65 HA ILE 11 HA ILE 11 2.489 -7.567 2.521 66 HB ILE 11 HB ILE 11 3.762 -9.284 0.900 67 1HG1 ILE 11 2HG1 ILE 11 1.357 -9.027 -0.883 68 2HG1 ILE 11 1HG1 ILE 11 2.605 -7.834 -1.146 69 1HG2 ILE 11 2HG2 ILE 11 0.774 -9.387 1.468 70 2HG2 ILE 11 1HG2 ILE 11 1.756 -10.778 1.036 71 3HG2 ILE 11 3HG2 ILE 11 2.054 -9.928 2.541 72 1HD1 ILE 11 1HD1 ILE 11 3.070 -10.836 -1.123 73 2HD1 ILE 11 3HD1 ILE 11 2.982 -9.824 -2.556 74 3HD1 ILE 11 2HD1 ILE 11 4.297 -9.612 -1.413 75 H SER 12 H SER 12 4.237 -7.298 -0.546 76 HA SER 12 HA SER 12 6.708 -6.594 0.644 77 1HB SER 12 2HB SER 12 5.652 -6.284 -2.208 78 2HB SER 12 1HB SER 12 7.340 -6.018 -1.754 79 HG SER 12 HG SER 12 7.330 -8.128 -2.115 80 H ALA 13 H ALA 13 4.151 -4.738 -0.846 81 HA ALA 13 HA ALA 13 5.434 -2.176 -0.440 82 1HB ALA 13 3HB ALA 13 3.975 -2.587 -2.391 83 2HB ALA 13 2HB ALA 13 2.611 -2.882 -1.326 84 3HB ALA 13 1HB ALA 13 3.324 -1.279 -1.420 85 H ALA 14 H ALA 14 4.354 -4.110 1.794 86 HA ALA 14 HA ALA 14 2.637 -2.230 3.317 87 1HB ALA 14 3HB ALA 14 2.317 -4.825 3.154 88 2HB ALA 14 2HB ALA 14 3.627 -4.922 4.318 89 3HB ALA 14 1HB ALA 14 2.146 -4.072 4.729 90 H LEU 15 H LEU 15 5.671 -4.018 3.695 91 HA LEU 15 HA LEU 15 6.512 -2.622 6.044 92 1HB LEU 15 2HB LEU 15 8.816 -3.675 5.330 93 2HB LEU 15 1HB LEU 15 7.532 -4.708 5.892 94 HG LEU 15 HG LEU 15 7.329 -4.301 2.983 95 1HD1 LEU 15 2HD1 LEU 15 9.925 -5.508 4.014 96 2HD1 LEU 15 1HD1 LEU 15 9.373 -5.560 2.347 97 3HD1 LEU 15 3HD1 LEU 15 9.777 -4.022 3.088 98 1HD2 LEU 15 3HD2 LEU 15 6.246 -6.132 4.322 99 2HD2 LEU 15 2HD2 LEU 15 7.189 -6.739 2.973 100 3HD2 LEU 15 1HD2 LEU 15 7.836 -6.825 4.604 101 H GLY 16 H GLY 16 8.029 -2.635 2.829 102 1HA GLY 16 2HA GLY 16 9.585 -0.297 3.204 103 2HA GLY 16 1HA GLY 16 9.178 -0.999 1.637 104 H CYS 17 H CYS 17 6.995 -0.579 0.840 105 HA CYS 17 HA CYS 17 6.344 2.257 0.978 106 1HB CYS 17 2HB CYS 17 4.422 0.378 -0.314 107 2HB CYS 17 1HB CYS 17 5.116 1.849 -0.906 108 H SER 18 H SER 18 3.645 2.463 1.006 109 HA SER 18 HA SER 18 2.566 0.988 3.333 110 1HB SER 18 2HB SER 18 3.054 4.005 3.333 111 2HB SER 18 1HB SER 18 1.961 3.209 4.478 112 HG SER 18 HG SER 18 4.700 2.655 4.034 113 H CYS 19 H CYS 19 0.412 0.780 3.338 114 HA CYS 19 HA CYS 19 -1.032 1.620 0.936 115 1HB CYS 19 2HB CYS 19 -1.516 -0.566 1.716 116 2HB CYS 19 1HB CYS 19 -1.792 -0.019 3.352 117 H LYS 20 H LYS 20 -1.840 3.550 0.787 118 HA LYS 20 HA LYS 20 -3.474 4.703 2.958 119 1HB LYS 20 2HB LYS 20 -1.030 5.551 3.127 120 2HB LYS 20 1HB LYS 20 -1.290 6.352 1.594 121 1HG LYS 20 2HG LYS 20 -3.400 6.829 3.683 122 2HG LYS 20 1HG LYS 20 -1.824 7.479 4.059 123 1HD LYS 20 2HD LYS 20 -2.885 7.994 1.280 124 2HD LYS 20 1HD LYS 20 -3.654 8.848 2.600 125 1HE LYS 20 2HE LYS 20 -0.632 8.826 2.264 126 2HE LYS 20 1HE LYS 20 -1.653 10.035 1.502 127 1HZ LYS 20 3HZ LYS 20 -2.145 9.591 4.318 128 2HZ LYS 20 2HZ LYS 20 -0.639 10.278 3.937 129 3HZ LYS 20 1HZ LYS 20 -2.072 11.039 3.433 130 H ASN 21 H ASN 21 -5.181 5.731 2.180 131 HA ASN 21 HA ASN 21 -6.853 6.283 0.663 132 1HB ASN 21 2HB ASN 21 -5.168 8.258 0.592 133 2HB ASN 21 1HB ASN 21 -4.594 7.602 -0.933 134 1HD2 ASN 21 2HD2 ASN 21 -7.509 8.557 -2.741 135 2HD2 ASN 21 1HD2 ASN 21 -6.133 7.563 -2.754 136 H LYS 22 H LYS 22 -6.767 3.948 0.237 137 HA LYS 22 HA LYS 22 -6.708 2.059 -1.114 138 1HB LYS 22 2HB LYS 22 -8.158 2.358 -3.066 139 2HB LYS 22 1HB LYS 22 -8.772 3.280 -1.717 140 1HG LYS 22 2HG LYS 22 -8.156 5.357 -2.654 141 2HG LYS 22 1HG LYS 22 -6.979 4.662 -3.745 142 1HD LYS 22 2HD LYS 22 -9.954 4.104 -3.972 143 2HD LYS 22 1HD LYS 22 -9.167 5.434 -4.798 144 1HE LYS 22 2HE LYS 22 -8.535 2.467 -5.186 145 2HE LYS 22 1HE LYS 22 -9.308 3.536 -6.340 146 1HZ LYS 22 1HZ LYS 22 -7.015 4.837 -5.767 147 2HZ LYS 22 3HZ LYS 22 -6.534 3.209 -5.734 148 3HZ LYS 22 2HZ LYS 22 -7.281 3.845 -7.120 149 H VAL 23 H VAL 23 -4.122 3.113 -1.224 150 HA VAL 23 HA VAL 23 -3.257 2.041 -3.763 151 HB VAL 23 HB VAL 23 -3.583 4.846 -3.358 152 1HG1 VAL 23 3HG1 VAL 23 -0.637 4.180 -3.240 153 2HG1 VAL 23 2HG1 VAL 23 -1.262 5.758 -3.691 154 3HG1 VAL 23 1HG1 VAL 23 -1.560 5.123 -2.087 155 1HG2 VAL 23 2HG2 VAL 23 -2.052 3.309 -5.470 156 2HG2 VAL 23 1HG2 VAL 23 -3.728 3.817 -5.528 157 3HG2 VAL 23 3HG2 VAL 23 -2.454 5.016 -5.615 158 H CYS 24 H CYS 24 -1.317 0.904 -3.539 159 HA CYS 24 HA CYS 24 -0.104 0.942 -0.809 160 1HB CYS 24 2HB CYS 24 -0.042 -1.062 -3.089 161 2HB CYS 24 1HB CYS 24 1.007 -1.174 -1.719 162 H TYR 25 H TYR 25 0.559 3.126 -1.991 163 HA TYR 25 HA TYR 25 3.120 2.825 -3.470 164 1HB TYR 25 2HB TYR 25 1.377 5.222 -2.928 165 2HB TYR 25 1HB TYR 25 2.866 5.276 -3.816 166 HD1 TYR 25 HD1 TYR 25 1.473 2.133 -4.728 167 HD2 TYR 25 HD2 TYR 25 0.892 6.321 -5.320 168 HE1 TYR 25 HE1 TYR 25 0.258 1.673 -6.752 169 HE2 TYR 25 HE2 TYR 25 -0.333 5.844 -7.369 170 HH TYR 25 HH TYR 25 -1.417 2.723 -8.189 171 H ARG 26 H ARG 26 4.829 4.368 -2.893 172 HA ARG 26 HA ARG 26 5.292 4.336 0.046 173 1HB ARG 26 2HB ARG 26 6.964 3.496 -1.825 174 2HB ARG 26 1HB ARG 26 7.304 5.198 -2.075 175 1HG ARG 26 2HG ARG 26 8.376 5.454 -0.048 176 2HG ARG 26 1HG ARG 26 7.393 4.261 0.774 177 1HD ARG 26 2HD ARG 26 8.755 2.477 0.124 178 2HD ARG 26 1HD ARG 26 9.210 3.233 -1.395 179 HE ARG 26 HE ARG 26 11.028 4.217 -0.323 180 1HH1 ARG 26 2HH1 ARG 26 8.683 3.205 2.018 181 2HH1 ARG 26 1HH1 ARG 26 9.704 3.575 3.367 182 1HH2 ARG 26 1HH2 ARG 26 12.333 4.695 1.365 183 2HH2 ARG 26 2HH2 ARG 26 11.801 4.433 2.994 184 H ASN 27 H ASN 27 3.368 6.001 -0.921 185 HA ASN 27 HA ASN 27 2.550 8.148 -0.879 186 1HB ASN 27 2HB ASN 27 3.823 7.829 1.443 187 2HB ASN 27 1HB ASN 27 4.980 8.968 0.777 188 1HD2 ASN 27 2HD2 ASN 27 1.203 10.231 1.752 189 2HD2 ASN 27 1HD2 ASN 27 1.526 8.573 1.591 190 H GLY 28 H GLY 28 4.066 7.513 -3.103 191 1HA GLY 28 2HA GLY 28 4.388 9.951 -4.388 192 2HA GLY 28 1HA GLY 28 5.973 9.555 -3.736 193 H ILE 29 H ILE 29 5.722 6.700 -4.147 194 HA ILE 29 HA ILE 29 6.011 6.629 -7.113 195 HB ILE 29 HB ILE 29 8.042 6.294 -5.575 196 1HG1 ILE 29 2HG1 ILE 29 7.471 4.028 -7.544 197 2HG1 ILE 29 1HG1 ILE 29 7.899 5.655 -8.039 198 1HG2 ILE 29 2HG2 ILE 29 6.698 4.654 -4.058 199 2HG2 ILE 29 1HG2 ILE 29 7.064 3.441 -5.271 200 3HG2 ILE 29 3HG2 ILE 29 8.366 4.254 -4.419 201 1HD1 ILE 29 1HD1 ILE 29 10.016 5.439 -6.637 202 2HD1 ILE 29 3HD1 ILE 29 9.621 3.738 -6.432 203 3HD1 ILE 29 2HD1 ILE 29 9.939 4.380 -8.035 204 HA PRO 30 HA PRO 30 2.796 3.480 -6.989 205 1HB PRO 30 2HB PRO 30 3.387 2.496 -9.617 206 2HB PRO 30 1HB PRO 30 2.122 3.621 -9.159 207 1HG PRO 30 2HG PRO 30 4.593 4.171 -10.583 208 2HG PRO 30 1HG PRO 30 3.258 5.269 -10.258 209 1HD PRO 30 2HD PRO 30 5.858 5.208 -8.969 210 2HD PRO 30 1HD PRO 30 4.524 6.333 -8.665 No H/Q in entry = 210 Start of MODEL 2 1 H CYS 1 H CYS 1 3.821 1.751 -5.366 2 HA CYS 1 HA CYS 1 6.040 -0.148 -5.645 3 1HB CYS 1 2HB CYS 1 4.209 0.829 -3.556 4 2HB CYS 1 1HB CYS 1 4.662 -0.836 -3.359 5 H GLY 2 H GLY 2 2.504 -0.182 -5.395 6 1HA GLY 2 2HA GLY 2 2.393 -2.675 -6.946 7 2HA GLY 2 1HA GLY 2 1.702 -2.723 -5.320 8 H GLU 3 H GLU 3 -0.053 -1.512 -4.878 9 HA GLU 3 HA GLU 3 -1.444 0.406 -6.330 10 1HB GLU 3 2HB GLU 3 -1.545 -1.884 -7.882 11 2HB GLU 3 1HB GLU 3 -2.941 -2.134 -6.893 12 1HG GLU 3 2HG GLU 3 -3.317 0.517 -7.607 13 2HG GLU 3 1HG GLU 3 -2.435 -0.069 -9.003 14 H SER 4 H SER 4 -4.079 -0.301 -6.028 15 HA SER 4 HA SER 4 -4.771 0.351 -3.477 16 1HB SER 4 2HB SER 4 -6.398 -1.648 -5.064 17 2HB SER 4 1HB SER 4 -6.986 -0.411 -3.954 18 HG SER 4 HG SER 4 -5.644 1.017 -5.490 19 H CYS 5 H CYS 5 -5.387 -0.482 -1.716 20 HA CYS 5 HA CYS 5 -5.030 -3.309 -1.056 21 1HB CYS 5 2HB CYS 5 -3.805 -2.194 1.086 22 2HB CYS 5 1HB CYS 5 -2.907 -2.596 -0.358 23 H VAL 6 H VAL 6 -7.253 -1.706 -1.498 24 HA VAL 6 HA VAL 6 -8.476 -0.753 0.931 25 HB VAL 6 HB VAL 6 -9.734 -1.564 -1.730 26 1HG1 VAL 6 3HG1 VAL 6 -10.851 -0.001 0.644 27 2HG1 VAL 6 2HG1 VAL 6 -11.599 -0.013 -0.944 28 3HG1 VAL 6 1HG1 VAL 6 -11.483 -1.497 -0.022 29 1HG2 VAL 6 2HG2 VAL 6 -8.858 1.147 -0.648 30 2HG2 VAL 6 1HG2 VAL 6 -8.068 0.261 -1.943 31 3HG2 VAL 6 3HG2 VAL 6 -9.691 0.885 -2.172 32 H TRP 7 H TRP 7 -9.267 -3.552 -1.081 33 HA TRP 7 HA TRP 7 -10.958 -4.819 0.801 34 1HB TRP 7 2HB TRP 7 -10.828 -5.215 -1.728 35 2HB TRP 7 1HB TRP 7 -9.432 -6.228 -1.425 36 HD1 TRP 7 HD1 TRP 7 -9.923 -8.752 -0.757 37 HE1 TRP 7 HE1 TRP 7 -12.024 -9.924 -0.111 38 HE3 TRP 7 HE3 TRP 7 -13.096 -4.835 -0.447 39 HZ2 TRP 7 HZ2 TRP 7 -14.768 -9.395 0.491 40 HZ3 TRP 7 HZ3 TRP 7 -15.463 -5.180 0.167 41 HH2 TRP 7 HH2 TRP 7 -16.302 -7.459 0.636 42 H ILE 8 H ILE 8 -7.631 -5.507 -0.110 43 HA ILE 8 HA ILE 8 -7.188 -6.808 2.489 44 HB ILE 8 HB ILE 8 -5.510 -8.282 0.954 45 1HG1 ILE 8 2HG1 ILE 8 -6.622 -8.933 -1.185 46 2HG1 ILE 8 1HG1 ILE 8 -7.764 -7.627 -0.995 47 1HG2 ILE 8 2HG2 ILE 8 -7.282 -9.204 2.427 48 2HG2 ILE 8 1HG2 ILE 8 -8.492 -8.848 1.204 49 3HG2 ILE 8 3HG2 ILE 8 -7.250 -10.049 0.889 50 1HD1 ILE 8 3HD1 ILE 8 -4.793 -7.026 -0.930 51 2HD1 ILE 8 2HD1 ILE 8 -5.603 -7.277 -2.467 52 3HD1 ILE 8 1HD1 ILE 8 -6.120 -5.978 -1.412 53 HA PRO 9 HA PRO 9 -3.380 -4.469 2.577 54 1HB PRO 9 2HB PRO 9 -1.680 -6.444 3.701 55 2HB PRO 9 1HB PRO 9 -2.596 -5.228 4.576 56 1HG PRO 9 2HG PRO 9 -3.108 -8.100 4.359 57 2HG PRO 9 1HG PRO 9 -3.829 -6.936 5.460 58 1HD PRO 9 2HD PRO 9 -5.062 -8.122 3.157 59 2HD PRO 9 1HD PRO 9 -5.737 -6.843 4.182 60 H CYS 10 H CYS 10 -1.400 -4.306 1.462 61 HA CYS 10 HA CYS 10 -1.302 -5.683 -1.067 62 1HB CYS 10 2HB CYS 10 1.196 -4.469 -0.633 63 2HB CYS 10 1HB CYS 10 -0.125 -3.888 -1.584 64 H ILE 11 H ILE 11 0.634 -6.695 -1.915 65 HA ILE 11 HA ILE 11 1.561 -8.875 -0.155 66 HB ILE 11 HB ILE 11 2.124 -8.434 -3.061 67 1HG1 ILE 11 2HG1 ILE 11 -0.302 -8.470 -2.883 68 2HG1 ILE 11 1HG1 ILE 11 0.206 -10.007 -3.536 69 1HG2 ILE 11 3HG2 ILE 11 2.353 -10.855 -1.247 70 2HG2 ILE 11 2HG2 ILE 11 2.307 -11.017 -2.996 71 3HG2 ILE 11 1HG2 ILE 11 3.600 -10.111 -2.233 72 1HD1 ILE 11 3HD1 ILE 11 0.074 -10.961 -1.160 73 2HD1 ILE 11 2HD1 ILE 11 -0.671 -9.445 -0.673 74 3HD1 ILE 11 1HD1 ILE 11 -1.461 -10.473 -1.853 75 H SER 12 H SER 12 2.784 -6.152 -1.991 76 HA SER 12 HA SER 12 5.565 -6.667 -1.383 77 1HB SER 12 2HB SER 12 4.840 -5.596 -3.540 78 2HB SER 12 1HB SER 12 4.221 -4.204 -2.643 79 HG SER 12 HG SER 12 6.238 -3.727 -1.976 80 H ALA 13 H ALA 13 4.860 -3.392 -1.059 81 HA ALA 13 HA ALA 13 5.013 -1.860 0.663 82 1HB ALA 13 2HB ALA 13 2.911 -3.276 1.319 83 2HB ALA 13 1HB ALA 13 3.936 -3.939 2.581 84 3HB ALA 13 3HB ALA 13 3.613 -2.215 2.527 85 H ALA 14 H ALA 14 6.892 -4.557 0.677 86 HA ALA 14 HA ALA 14 8.193 -4.321 3.253 87 1HB ALA 14 2HB ALA 14 8.133 -6.451 2.006 88 2HB ALA 14 1HB ALA 14 9.060 -5.731 0.699 89 3HB ALA 14 3HB ALA 14 9.795 -5.956 2.280 90 H LEU 15 H LEU 15 8.746 -3.038 0.053 91 HA LEU 15 HA LEU 15 11.399 -2.161 0.270 92 1HB LEU 15 2HB LEU 15 9.007 -1.030 -1.232 93 2HB LEU 15 1HB LEU 15 10.610 -0.357 -1.395 94 HG LEU 15 HG LEU 15 11.286 -2.926 -1.876 95 1HD1 LEU 15 1HD1 LEU 15 8.321 -2.761 -2.579 96 2HD1 LEU 15 3HD1 LEU 15 9.404 -3.937 -3.300 97 3HD1 LEU 15 2HD1 LEU 15 9.110 -3.967 -1.574 98 1HD2 LEU 15 1HD2 LEU 15 11.611 -1.011 -3.432 99 2HD2 LEU 15 3HD2 LEU 15 11.045 -2.432 -4.293 100 3HD2 LEU 15 2HD2 LEU 15 9.930 -1.124 -3.927 101 H GLY 16 H GLY 16 8.439 -0.725 1.372 102 1HA GLY 16 2HA GLY 16 9.013 0.586 3.601 103 2HA GLY 16 1HA GLY 16 9.754 1.672 2.420 104 H CYS 17 H CYS 17 7.283 0.241 0.875 105 HA CYS 17 HA CYS 17 5.674 2.577 0.683 106 1HB CYS 17 2HB CYS 17 4.202 0.143 0.030 107 2HB CYS 17 1HB CYS 17 4.687 1.461 -0.977 108 H SER 18 H SER 18 3.630 3.013 1.376 109 HA SER 18 HA SER 18 2.532 1.461 3.678 110 1HB SER 18 2HB SER 18 2.939 4.495 3.517 111 2HB SER 18 1HB SER 18 2.045 3.674 4.809 112 HG SER 18 HG SER 18 4.547 4.048 4.829 113 H CYS 19 H CYS 19 0.407 1.089 3.452 114 HA CYS 19 HA CYS 19 -0.948 1.924 1.040 115 1HB CYS 19 2HB CYS 19 -1.396 -0.225 2.138 116 2HB CYS 19 1HB CYS 19 -2.072 0.601 3.525 117 H LYS 20 H LYS 20 -1.888 3.718 0.681 118 HA LYS 20 HA LYS 20 -3.572 5.121 2.609 119 1HB LYS 20 2HB LYS 20 -2.261 7.317 2.237 120 2HB LYS 20 1HB LYS 20 -1.499 6.147 3.283 121 1HG LYS 20 2HG LYS 20 0.349 6.446 1.980 122 2HG LYS 20 1HG LYS 20 -0.433 5.368 0.852 123 1HD LYS 20 2HD LYS 20 -1.589 7.693 0.059 124 2HD LYS 20 1HD LYS 20 -0.102 8.342 0.725 125 1HE LYS 20 2HE LYS 20 -0.447 6.359 -1.545 126 2HE LYS 20 1HE LYS 20 0.393 7.900 -1.574 127 1HZ LYS 20 3HZ LYS 20 1.994 6.920 0.026 128 2HZ LYS 20 2HZ LYS 20 1.250 5.413 -0.223 129 3HZ LYS 20 1HZ LYS 20 2.003 6.212 -1.516 130 H ASN 21 H ASN 21 -5.010 6.469 1.599 131 HA ASN 21 HA ASN 21 -6.441 7.112 -0.126 132 1HB ASN 21 2HB ASN 21 -3.752 7.617 -1.527 133 2HB ASN 21 1HB ASN 21 -5.291 8.325 -1.997 134 1HD2 ASN 21 2HD2 ASN 21 -5.367 10.652 0.695 135 2HD2 ASN 21 1HD2 ASN 21 -6.317 9.840 -0.453 136 H LYS 22 H LYS 22 -6.506 4.613 0.039 137 HA LYS 22 HA LYS 22 -6.688 2.506 -0.915 138 1HB LYS 22 2HB LYS 22 -8.251 2.558 -2.860 139 2HB LYS 22 1HB LYS 22 -8.747 3.627 -1.575 140 1HG LYS 22 2HG LYS 22 -8.079 5.587 -2.801 141 2HG LYS 22 1HG LYS 22 -7.128 4.650 -3.942 142 1HD LYS 22 2HD LYS 22 -9.182 3.592 -4.823 143 2HD LYS 22 1HD LYS 22 -10.155 4.508 -3.683 144 1HE LYS 22 2HE LYS 22 -9.866 6.515 -4.834 145 2HE LYS 22 1HE LYS 22 -8.283 6.069 -5.459 146 1HZ LYS 22 3HZ LYS 22 -10.847 4.889 -6.352 147 2HZ LYS 22 2HZ LYS 22 -9.985 6.104 -7.169 148 3HZ LYS 22 1HZ LYS 22 -9.306 4.558 -6.985 149 H VAL 23 H VAL 23 -4.103 3.415 -1.435 150 HA VAL 23 HA VAL 23 -3.417 1.782 -3.724 151 HB VAL 23 HB VAL 23 -3.682 4.558 -4.005 152 1HG1 VAL 23 1HG1 VAL 23 -0.719 4.015 -3.660 153 2HG1 VAL 23 3HG1 VAL 23 -1.410 5.489 -4.327 154 3HG1 VAL 23 2HG1 VAL 23 -1.714 5.056 -2.657 155 1HG2 VAL 23 1HG2 VAL 23 -1.969 2.615 -5.598 156 2HG2 VAL 23 3HG2 VAL 23 -3.654 3.018 -5.876 157 3HG2 VAL 23 2HG2 VAL 23 -2.414 4.218 -6.172 158 H CYS 24 H CYS 24 -1.369 0.852 -3.483 159 HA CYS 24 HA CYS 24 -0.159 1.223 -0.769 160 1HB CYS 24 2HB CYS 24 -0.977 -1.035 -1.489 161 2HB CYS 24 1HB CYS 24 0.235 -1.037 -2.738 162 H TYR 25 H TYR 25 0.698 3.242 -1.860 163 HA TYR 25 HA TYR 25 3.254 2.726 -3.332 164 1HB TYR 25 2HB TYR 25 1.565 5.234 -3.109 165 2HB TYR 25 1HB TYR 25 3.083 5.135 -3.937 166 HD1 TYR 25 HD1 TYR 25 1.776 1.994 -4.728 167 HD2 TYR 25 HD2 TYR 25 1.010 6.123 -5.475 168 HE1 TYR 25 HE1 TYR 25 0.592 1.404 -6.742 169 HE2 TYR 25 HE2 TYR 25 -0.180 5.520 -7.510 170 HH TYR 25 HH TYR 25 0.074 2.636 -9.008 171 H ARG 26 H ARG 26 4.953 4.338 -2.800 172 HA ARG 26 HA ARG 26 5.211 4.619 0.160 173 1HB ARG 26 2HB ARG 26 6.962 3.437 -1.458 174 2HB ARG 26 1HB ARG 26 7.442 5.074 -1.866 175 1HG ARG 26 2HG ARG 26 8.240 5.544 0.296 176 2HG ARG 26 1HG ARG 26 7.237 4.325 1.056 177 1HD ARG 26 2HD ARG 26 9.528 3.517 1.060 178 2HD ARG 26 1HD ARG 26 8.640 2.546 -0.113 179 HE ARG 26 HE ARG 26 9.754 4.777 -1.476 180 1HH1 ARG 26 2HH1 ARG 26 10.716 1.896 0.194 181 2HH1 ARG 26 1HH1 ARG 26 12.170 1.711 -0.727 182 1HH2 ARG 26 1HH2 ARG 26 11.589 4.562 -2.656 183 2HH2 ARG 26 2HH2 ARG 26 12.674 3.242 -2.368 184 H ASN 27 H ASN 27 3.496 6.206 -1.230 185 HA ASN 27 HA ASN 27 2.797 8.376 -1.566 186 1HB ASN 27 2HB ASN 27 3.864 8.312 0.907 187 2HB ASN 27 1HB ASN 27 5.062 9.383 0.204 188 1HD2 ASN 27 2HD2 ASN 27 2.775 12.098 -0.195 189 2HD2 ASN 27 1HD2 ASN 27 4.249 11.453 -0.734 190 H GLY 28 H GLY 28 4.380 7.414 -3.552 191 1HA GLY 28 2HA GLY 28 5.029 9.621 -5.079 192 2HA GLY 28 1HA GLY 28 6.514 9.225 -4.220 193 H ILE 29 H ILE 29 6.036 6.357 -4.272 194 HA ILE 29 HA ILE 29 6.667 5.857 -7.142 195 HB ILE 29 HB ILE 29 8.454 5.548 -5.325 196 1HG1 ILE 29 2HG1 ILE 29 7.839 3.105 -7.060 197 2HG1 ILE 29 1HG1 ILE 29 8.542 4.587 -7.677 198 1HG2 ILE 29 1HG2 ILE 29 6.773 4.279 -3.794 199 2HG2 ILE 29 3HG2 ILE 29 7.131 2.875 -4.785 200 3HG2 ILE 29 2HG2 ILE 29 8.415 3.668 -3.886 201 1HD1 ILE 29 3HD1 ILE 29 10.417 4.308 -5.965 202 2HD1 ILE 29 2HD1 ILE 29 9.774 2.705 -5.638 203 3HD1 ILE 29 1HD1 ILE 29 10.381 3.098 -7.237 204 HA PRO 30 HA PRO 30 3.162 3.034 -6.951 205 1HB PRO 30 2HB PRO 30 3.695 1.845 -9.480 206 2HB PRO 30 1HB PRO 30 2.599 3.177 -9.164 207 1HG PRO 30 2HG PRO 30 5.209 3.240 -10.475 208 2HG PRO 30 1HG PRO 30 4.017 4.526 -10.355 209 1HD PRO 30 2HD PRO 30 6.497 4.254 -8.857 210 2HD PRO 30 1HD PRO 30 5.315 5.572 -8.770 No H/Q in entry = 210 Start of MODEL 3 1 H CYS 1 H CYS 1 3.748 1.877 -5.382 2 HA CYS 1 HA CYS 1 6.014 0.030 -5.703 3 1HB CYS 1 2HB CYS 1 4.103 0.809 -3.585 4 2HB CYS 1 1HB CYS 1 4.571 -0.858 -3.527 5 H GLY 2 H GLY 2 2.474 -0.120 -5.466 6 1HA GLY 2 2HA GLY 2 2.426 -2.464 -7.240 7 2HA GLY 2 1HA GLY 2 1.750 -2.678 -5.622 8 H GLU 3 H GLU 3 -0.043 -1.503 -5.051 9 HA GLU 3 HA GLU 3 -1.455 0.461 -6.443 10 1HB GLU 3 2HB GLU 3 -1.554 -1.833 -7.984 11 2HB GLU 3 1HB GLU 3 -2.966 -2.064 -7.012 12 1HG GLU 3 2HG GLU 3 -3.326 0.579 -7.744 13 2HG GLU 3 1HG GLU 3 -2.413 -0.002 -9.124 14 H SER 4 H SER 4 -4.062 -0.221 -6.129 15 HA SER 4 HA SER 4 -4.736 0.397 -3.569 16 1HB SER 4 2HB SER 4 -6.410 -1.505 -5.230 17 2HB SER 4 1HB SER 4 -6.979 -0.280 -4.096 18 HG SER 4 HG SER 4 -5.524 1.117 -5.595 19 H CYS 5 H CYS 5 -5.401 -0.434 -1.849 20 HA CYS 5 HA CYS 5 -5.013 -3.278 -1.193 21 1HB CYS 5 2HB CYS 5 -4.075 -2.093 1.058 22 2HB CYS 5 1HB CYS 5 -3.026 -2.479 -0.282 23 H VAL 6 H VAL 6 -7.351 -2.140 -1.832 24 HA VAL 6 HA VAL 6 -8.819 -1.222 0.525 25 HB VAL 6 HB VAL 6 -9.750 -2.020 -2.277 26 1HG1 VAL 6 3HG1 VAL 6 -11.219 -0.631 0.013 27 2HG1 VAL 6 2HG1 VAL 6 -11.811 -0.669 -1.641 28 3HG1 VAL 6 1HG1 VAL 6 -11.650 -2.161 -0.735 29 1HG2 VAL 6 1HG2 VAL 6 -8.200 -0.054 -2.194 30 2HG2 VAL 6 3HG2 VAL 6 -9.819 0.427 -2.668 31 3HG2 VAL 6 2HG2 VAL 6 -9.257 0.721 -1.028 32 H TRP 7 H TRP 7 -9.365 -3.944 -1.668 33 HA TRP 7 HA TRP 7 -10.920 -5.444 0.175 34 1HB TRP 7 2HB TRP 7 -10.783 -5.542 -2.429 35 2HB TRP 7 1HB TRP 7 -9.445 -6.639 -2.189 36 HD1 TRP 7 HD1 TRP 7 -10.027 -9.166 -1.490 37 HE1 TRP 7 HE1 TRP 7 -12.215 -10.285 -1.080 38 HE3 TRP 7 HE3 TRP 7 -13.104 -5.164 -1.477 39 HZ2 TRP 7 HZ2 TRP 7 -14.989 -9.680 -0.763 40 HZ3 TRP 7 HZ3 TRP 7 -15.534 -5.447 -1.119 41 HH2 TRP 7 HH2 TRP 7 -16.477 -7.705 -0.762 42 H ILE 8 H ILE 8 -7.569 -5.717 -0.863 43 HA ILE 8 HA ILE 8 -6.987 -7.520 1.401 44 HB ILE 8 HB ILE 8 -4.990 -8.195 -0.043 45 1HG1 ILE 8 2HG1 ILE 8 -5.190 -6.131 -1.554 46 2HG1 ILE 8 1HG1 ILE 8 -4.762 -7.652 -2.287 47 1HG2 ILE 8 1HG2 ILE 8 -7.831 -8.898 -0.751 48 2HG2 ILE 8 3HG2 ILE 8 -6.491 -9.624 -1.629 49 3HG2 ILE 8 2HG2 ILE 8 -6.630 -9.845 0.104 50 1HD1 ILE 8 1HD1 ILE 8 -7.593 -7.580 -2.484 51 2HD1 ILE 8 3HD1 ILE 8 -7.062 -5.944 -2.825 52 3HD1 ILE 8 2HD1 ILE 8 -6.435 -7.286 -3.762 53 HA PRO 9 HA PRO 9 -3.768 -4.476 2.439 54 1HB PRO 9 2HB PRO 9 -1.835 -6.167 3.527 55 2HB PRO 9 1HB PRO 9 -3.217 -5.525 4.404 56 1HG PRO 9 2HG PRO 9 -2.766 -8.265 3.379 57 2HG PRO 9 1HG PRO 9 -3.836 -7.726 4.665 58 1HD PRO 9 2HD PRO 9 -4.591 -8.438 2.002 59 2HD PRO 9 1HD PRO 9 -5.637 -7.704 3.228 60 H CYS 10 H CYS 10 -1.123 -4.602 2.196 61 HA CYS 10 HA CYS 10 -0.659 -4.719 -0.680 62 1HB CYS 10 2HB CYS 10 1.336 -4.377 1.498 63 2HB CYS 10 1HB CYS 10 1.534 -3.908 -0.160 64 H ILE 11 H ILE 11 1.874 -5.662 -0.949 65 HA ILE 11 HA ILE 11 1.928 -8.469 0.028 66 HB ILE 11 HB ILE 11 2.920 -8.750 -2.503 67 1HG1 ILE 11 2HG1 ILE 11 0.476 -7.090 -3.136 68 2HG1 ILE 11 1HG1 ILE 11 2.008 -6.273 -2.927 69 1HG2 ILE 11 1HG2 ILE 11 1.253 -10.225 -1.418 70 2HG2 ILE 11 3HG2 ILE 11 -0.015 -9.051 -1.736 71 3HG2 ILE 11 2HG2 ILE 11 0.778 -9.876 -3.070 72 1HD1 ILE 11 2HD1 ILE 11 1.639 -8.617 -4.827 73 2HD1 ILE 11 1HD1 ILE 11 1.560 -6.932 -5.313 74 3HD1 ILE 11 3HD1 ILE 11 3.057 -7.589 -4.672 75 H SER 12 H SER 12 3.673 -6.159 -1.987 76 HA SER 12 HA SER 12 6.279 -7.104 -1.511 77 1HB SER 12 2HB SER 12 5.282 -4.321 -2.295 78 2HB SER 12 1HB SER 12 6.962 -4.854 -2.426 79 HG SER 12 HG SER 12 6.072 -6.703 -3.598 80 H ALA 13 H ALA 13 5.452 -3.882 -0.399 81 HA ALA 13 HA ALA 13 5.812 -2.734 1.572 82 1HB ALA 13 3HB ALA 13 4.607 -4.879 2.500 83 2HB ALA 13 2HB ALA 13 6.199 -5.348 3.074 84 3HB ALA 13 1HB ALA 13 5.471 -3.854 3.633 85 H ALA 14 H ALA 14 8.104 -4.962 0.401 86 HA ALA 14 HA ALA 14 10.272 -4.501 2.228 87 1HB ALA 14 1HB ALA 14 10.290 -5.333 -0.711 88 2HB ALA 14 3HB ALA 14 11.663 -5.461 0.379 89 3HB ALA 14 2HB ALA 14 10.224 -6.430 0.659 90 H LEU 15 H LEU 15 9.065 -2.956 -0.636 91 HA LEU 15 HA LEU 15 11.224 -1.146 -1.094 92 1HB LEU 15 2HB LEU 15 8.408 -1.490 -2.024 93 2HB LEU 15 1HB LEU 15 9.043 0.129 -2.209 94 HG LEU 15 HG LEU 15 10.732 -2.209 -3.146 95 1HD1 LEU 15 3HD1 LEU 15 8.437 -0.976 -4.737 96 2HD1 LEU 15 2HD1 LEU 15 9.619 -2.115 -5.361 97 3HD1 LEU 15 1HD1 LEU 15 8.485 -2.620 -4.124 98 1HD2 LEU 15 2HD2 LEU 15 11.599 0.172 -3.125 99 2HD2 LEU 15 1HD2 LEU 15 11.569 -0.534 -4.730 100 3HD2 LEU 15 3HD2 LEU 15 10.327 0.610 -4.251 101 H GLY 16 H GLY 16 9.122 -1.319 1.437 102 1HA GLY 16 2HA GLY 16 8.960 0.049 3.317 103 2HA GLY 16 1HA GLY 16 9.823 1.307 2.442 104 H CYS 17 H CYS 17 7.144 -0.254 0.960 105 HA CYS 17 HA CYS 17 5.681 2.211 0.654 106 1HB CYS 17 2HB CYS 17 4.174 -0.269 0.131 107 2HB CYS 17 1HB CYS 17 4.481 1.098 -0.884 108 H SER 18 H SER 18 3.492 2.524 1.209 109 HA SER 18 HA SER 18 2.411 1.149 3.594 110 1HB SER 18 2HB SER 18 2.995 4.164 3.455 111 2HB SER 18 1HB SER 18 2.046 3.393 4.741 112 HG SER 18 HG SER 18 4.707 2.774 3.975 113 H CYS 19 H CYS 19 0.264 0.945 3.414 114 HA CYS 19 HA CYS 19 -1.061 1.791 0.993 115 1HB CYS 19 2HB CYS 19 -1.611 -0.285 2.166 116 2HB CYS 19 1HB CYS 19 -2.201 0.621 3.540 117 H LYS 20 H LYS 20 -1.561 3.776 0.635 118 HA LYS 20 HA LYS 20 -3.085 5.362 2.635 119 1HB LYS 20 2HB LYS 20 -0.669 6.341 1.032 120 2HB LYS 20 1HB LYS 20 -1.725 7.389 1.962 121 1HG LYS 20 2HG LYS 20 -1.174 5.903 4.002 122 2HG LYS 20 1HG LYS 20 0.077 5.169 3.015 123 1HD LYS 20 2HD LYS 20 1.166 7.365 2.704 124 2HD LYS 20 1HD LYS 20 -0.121 8.155 3.601 125 1HE LYS 20 2HE LYS 20 0.514 6.493 5.540 126 2HE LYS 20 1HE LYS 20 2.004 6.257 4.639 127 1HZ LYS 20 3HZ LYS 20 2.323 8.675 4.693 128 2HZ LYS 20 2HZ LYS 20 0.946 8.816 5.679 129 3HZ LYS 20 1HZ LYS 20 2.306 7.965 6.236 130 H ASN 21 H ASN 21 -4.799 6.234 1.781 131 HA ASN 21 HA ASN 21 -6.481 6.753 0.278 132 1HB ASN 21 2HB ASN 21 -4.635 8.536 -0.171 133 2HB ASN 21 1HB ASN 21 -4.248 7.629 -1.625 134 1HD2 ASN 21 2HD2 ASN 21 -7.206 8.619 -3.340 135 2HD2 ASN 21 1HD2 ASN 21 -5.926 7.505 -3.311 136 H LYS 22 H LYS 22 -6.547 4.351 0.217 137 HA LYS 22 HA LYS 22 -6.680 2.281 -0.858 138 1HB LYS 22 2HB LYS 22 -8.289 2.429 -2.763 139 2HB LYS 22 1HB LYS 22 -8.774 3.410 -1.401 140 1HG LYS 22 2HG LYS 22 -8.152 5.451 -2.489 141 2HG LYS 22 1HG LYS 22 -7.212 4.624 -3.718 142 1HD LYS 22 2HD LYS 22 -10.182 4.081 -3.463 143 2HD LYS 22 1HD LYS 22 -9.614 5.512 -4.302 144 1HE LYS 22 2HE LYS 22 -8.221 4.084 -5.807 145 2HE LYS 22 1HE LYS 22 -8.821 2.646 -4.991 146 1HZ LYS 22 3HZ LYS 22 -10.481 4.638 -6.416 147 2HZ LYS 22 2HZ LYS 22 -10.043 3.107 -7.004 148 3HZ LYS 22 1HZ LYS 22 -11.052 3.238 -5.643 149 H VAL 23 H VAL 23 -4.126 3.318 -1.385 150 HA VAL 23 HA VAL 23 -3.418 1.866 -3.787 151 HB VAL 23 HB VAL 23 -3.161 4.866 -3.355 152 1HG1 VAL 23 3HG1 VAL 23 -1.222 3.197 -4.937 153 2HG1 VAL 23 2HG1 VAL 23 -1.409 4.937 -5.136 154 3HG1 VAL 23 1HG1 VAL 23 -0.847 4.287 -3.606 155 1HG2 VAL 23 1HG2 VAL 23 -3.896 3.078 -5.708 156 2HG2 VAL 23 3HG2 VAL 23 -4.880 4.304 -4.921 157 3HG2 VAL 23 2HG2 VAL 23 -3.530 4.780 -5.926 158 H CYS 24 H CYS 24 -1.444 0.808 -3.425 159 HA CYS 24 HA CYS 24 -0.157 1.377 -0.769 160 1HB CYS 24 2HB CYS 24 -0.989 -0.964 -1.174 161 2HB CYS 24 1HB CYS 24 0.151 -1.115 -2.491 162 H TYR 25 H TYR 25 0.910 3.178 -1.646 163 HA TYR 25 HA TYR 25 3.284 2.601 -3.376 164 1HB TYR 25 2HB TYR 25 1.727 5.150 -2.919 165 2HB TYR 25 1HB TYR 25 3.245 5.095 -3.750 166 HD1 TYR 25 HD2 TYR 25 1.689 2.064 -4.735 167 HD2 TYR 25 HD1 TYR 25 1.400 6.278 -5.301 168 HE1 TYR 25 HE2 TYR 25 0.512 1.692 -6.801 169 HE2 TYR 25 HE1 TYR 25 0.218 5.902 -7.391 170 HH TYR 25 HH TYR 25 -1.180 3.054 -8.242 171 H ARG 26 H ARG 26 5.110 4.081 -2.906 172 HA ARG 26 HA ARG 26 5.661 4.118 0.020 173 1HB ARG 26 2HB ARG 26 7.186 3.129 -1.979 174 2HB ARG 26 1HB ARG 26 7.715 4.794 -2.092 175 1HG ARG 26 2HG ARG 26 7.880 4.353 0.649 176 2HG ARG 26 1HG ARG 26 8.250 2.763 0.007 177 1HD ARG 26 2HD ARG 26 10.349 3.979 0.189 178 2HD ARG 26 1HD ARG 26 9.952 3.868 -1.526 179 HE ARG 26 HE ARG 26 8.935 6.273 -0.180 180 1HH1 ARG 26 2HH1 ARG 26 11.534 4.829 -1.968 181 2HH1 ARG 26 1HH1 ARG 26 12.142 6.353 -2.520 182 1HH2 ARG 26 1HH2 ARG 26 9.690 8.198 -0.862 183 2HH2 ARG 26 2HH2 ARG 26 11.086 8.291 -1.883 184 H ASN 27 H ASN 27 3.851 5.904 -0.890 185 HA ASN 27 HA ASN 27 3.235 8.119 -0.860 186 1HB ASN 27 2HB ASN 27 4.556 7.735 1.405 187 2HB ASN 27 1HB ASN 27 5.814 8.709 0.667 188 1HD2 ASN 27 2HD2 ASN 27 2.247 10.452 1.701 189 2HD2 ASN 27 1HD2 ASN 27 2.340 8.765 1.538 190 H GLY 28 H GLY 28 4.526 7.356 -3.170 191 1HA GLY 28 2HA GLY 28 4.962 9.692 -4.546 192 2HA GLY 28 1HA GLY 28 6.546 9.291 -3.895 193 H ILE 29 H ILE 29 6.269 6.445 -4.168 194 HA ILE 29 HA ILE 29 6.552 6.229 -7.129 195 HB ILE 29 HB ILE 29 8.555 5.854 -5.540 196 1HG1 ILE 29 2HG1 ILE 29 7.894 3.558 -7.441 197 2HG1 ILE 29 1HG1 ILE 29 8.420 5.143 -7.979 198 1HG2 ILE 29 3HG2 ILE 29 7.065 4.315 -4.023 199 2HG2 ILE 29 2HG2 ILE 29 7.476 3.051 -5.165 200 3HG2 ILE 29 1HG2 ILE 29 8.744 3.878 -4.273 201 1HD1 ILE 29 2HD1 ILE 29 10.502 4.852 -6.532 202 2HD1 ILE 29 1HD1 ILE 29 10.007 3.182 -6.286 203 3HD1 ILE 29 3HD1 ILE 29 10.386 3.757 -7.900 204 HA PRO 30 HA PRO 30 3.174 3.289 -6.889 205 1HB PRO 30 2HB PRO 30 3.654 2.119 -9.436 206 2HB PRO 30 1HB PRO 30 2.533 3.414 -9.066 207 1HG PRO 30 2HG PRO 30 5.098 3.572 -10.456 208 2HG PRO 30 1HG PRO 30 3.860 4.807 -10.306 209 1HD PRO 30 2HD PRO 30 6.384 4.680 -8.911 210 2HD PRO 30 1HD PRO 30 5.110 5.897 -8.719 No H/Q in entry = 210 Start of MODEL 4 1 H CYS 1 H CYS 1 3.816 1.740 -5.044 2 HA CYS 1 HA CYS 1 6.107 0.012 -5.763 3 1HB CYS 1 2HB CYS 1 4.197 0.217 -3.479 4 2HB CYS 1 1HB CYS 1 4.905 -1.337 -3.777 5 H GLY 2 H GLY 2 2.577 -0.164 -5.457 6 1HA GLY 2 2HA GLY 2 2.450 -2.174 -7.604 7 2HA GLY 2 1HA GLY 2 1.825 -2.664 -6.024 8 H GLU 3 H GLU 3 0.053 -1.553 -5.174 9 HA GLU 3 HA GLU 3 -1.318 0.626 -6.272 10 1HB GLU 3 2HB GLU 3 -1.536 -1.555 -8.002 11 2HB GLU 3 1HB GLU 3 -3.000 -1.685 -7.085 12 1HG GLU 3 2HG GLU 3 -3.152 0.967 -7.599 13 2HG GLU 3 1HG GLU 3 -2.085 0.538 -8.925 14 H SER 4 H SER 4 -3.924 0.012 -6.034 15 HA SER 4 HA SER 4 -4.706 0.520 -3.553 16 1HB SER 4 2HB SER 4 -6.894 -0.754 -4.178 17 2HB SER 4 1HB SER 4 -6.332 0.505 -5.275 18 HG SER 4 HG SER 4 -5.238 -1.127 -6.446 19 H CYS 5 H CYS 5 -5.407 -0.191 -1.831 20 HA CYS 5 HA CYS 5 -4.732 -2.905 -0.953 21 1HB CYS 5 2HB CYS 5 -5.076 -0.396 0.611 22 2HB CYS 5 1HB CYS 5 -4.443 -1.875 1.254 23 H VAL 6 H VAL 6 -7.125 -1.738 -2.197 24 HA VAL 6 HA VAL 6 -9.288 -1.872 -0.234 25 HB VAL 6 HB VAL 6 -9.337 -1.749 -3.290 26 1HG1 VAL 6 3HG1 VAL 6 -11.579 -1.480 -1.233 27 2HG1 VAL 6 2HG1 VAL 6 -11.731 -0.959 -2.904 28 3HG1 VAL 6 1HG1 VAL 6 -11.476 -2.653 -2.537 29 1HG2 VAL 6 2HG2 VAL 6 -8.320 0.227 -2.152 30 2HG2 VAL 6 1HG2 VAL 6 -9.828 0.634 -2.952 31 3HG2 VAL 6 3HG2 VAL 6 -9.788 0.430 -1.207 32 H TRP 7 H TRP 7 -8.810 -3.669 -3.239 33 HA TRP 7 HA TRP 7 -10.409 -5.884 -2.537 34 1HB TRP 7 2HB TRP 7 -9.486 -5.060 -4.851 35 2HB TRP 7 1HB TRP 7 -8.089 -6.046 -4.484 36 HD1 TRP 7 HD1 TRP 7 -8.337 -8.688 -4.915 37 HE1 TRP 7 HE1 TRP 7 -10.303 -10.070 -5.582 38 HE3 TRP 7 HE3 TRP 7 -12.022 -5.257 -4.554 39 HZ2 TRP 7 HZ2 TRP 7 -13.136 -9.869 -5.955 40 HZ3 TRP 7 HZ3 TRP 7 -14.362 -5.860 -5.067 41 HH2 TRP 7 HH2 TRP 7 -14.921 -8.166 -5.768 42 H ILE 8 H ILE 8 -7.022 -5.228 -2.255 43 HA ILE 8 HA ILE 8 -6.661 -7.171 -0.157 44 HB ILE 8 HB ILE 8 -6.431 -8.691 -2.034 45 1HG1 ILE 8 2HG1 ILE 8 -3.546 -8.080 -1.284 46 2HG1 ILE 8 1HG1 ILE 8 -4.668 -8.706 -0.096 47 1HG2 ILE 8 1HG2 ILE 8 -5.842 -6.755 -3.711 48 2HG2 ILE 8 3HG2 ILE 8 -4.176 -7.090 -3.275 49 3HG2 ILE 8 2HG2 ILE 8 -5.167 -8.346 -3.990 50 1HD1 ILE 8 3HD1 ILE 8 -5.142 -10.663 -1.573 51 2HD1 ILE 8 2HD1 ILE 8 -3.976 -10.052 -2.738 52 3HD1 ILE 8 1HD1 ILE 8 -3.443 -10.560 -1.146 53 HA PRO 9 HA PRO 9 -3.631 -3.824 0.637 54 1HB PRO 9 2HB PRO 9 -3.199 -5.234 3.171 55 2HB PRO 9 1HB PRO 9 -3.775 -3.597 2.901 56 1HG PRO 9 2HG PRO 9 -5.348 -5.743 3.782 57 2HG PRO 9 1HG PRO 9 -5.959 -4.225 3.141 58 1HD PRO 9 2HD PRO 9 -5.899 -6.886 1.850 59 2HD PRO 9 1HD PRO 9 -6.862 -5.462 1.415 60 H CYS 10 H CYS 10 -1.480 -3.897 0.425 61 HA CYS 10 HA CYS 10 -0.275 -6.245 -0.691 62 1HB CYS 10 2HB CYS 10 1.871 -4.808 -0.391 63 2HB CYS 10 1HB CYS 10 0.628 -4.270 -1.478 64 H ILE 11 H ILE 11 1.988 -6.851 0.067 65 HA ILE 11 HA ILE 11 2.149 -7.331 2.995 66 HB ILE 11 HB ILE 11 3.179 -9.655 1.979 67 1HG1 ILE 11 2HG1 ILE 11 0.707 -9.343 0.236 68 2HG1 ILE 11 1HG1 ILE 11 2.275 -8.872 -0.382 69 1HG2 ILE 11 2HG2 ILE 11 1.505 -9.456 3.808 70 2HG2 ILE 11 1HG2 ILE 11 0.237 -9.183 2.626 71 3HG2 ILE 11 3HG2 ILE 11 1.051 -10.737 2.704 72 1HD1 ILE 11 1HD1 ILE 11 3.147 -11.174 0.192 73 2HD1 ILE 11 3HD1 ILE 11 1.502 -11.637 0.602 74 3HD1 ILE 11 2HD1 ILE 11 1.897 -11.162 -1.040 75 H SER 12 H SER 12 3.809 -7.936 -0.063 76 HA SER 12 HA SER 12 6.440 -7.611 1.009 77 1HB SER 12 2HB SER 12 5.385 -7.611 -1.868 78 2HB SER 12 1HB SER 12 7.101 -7.681 -1.440 79 HG SER 12 HG SER 12 6.661 -9.528 -0.215 80 H ALA 13 H ALA 13 4.420 -5.664 -1.122 81 HA ALA 13 HA ALA 13 6.103 -3.359 -1.137 82 1HB ALA 13 2HB ALA 13 3.201 -3.840 -1.876 83 2HB ALA 13 1HB ALA 13 3.939 -2.254 -2.027 84 3HB ALA 13 3HB ALA 13 4.567 -3.608 -2.951 85 H ALA 14 H ALA 14 3.825 -4.581 1.100 86 HA ALA 14 HA ALA 14 3.007 -2.149 2.388 87 1HB ALA 14 1HB ALA 14 1.968 -4.483 2.635 88 2HB ALA 14 3HB ALA 14 3.285 -4.865 3.733 89 3HB ALA 14 2HB ALA 14 2.153 -3.580 4.128 90 H LEU 15 H LEU 15 5.842 -4.132 2.592 91 HA LEU 15 HA LEU 15 6.844 -3.055 5.060 92 1HB LEU 15 2HB LEU 15 7.661 -5.048 3.070 93 2HB LEU 15 1HB LEU 15 9.039 -4.068 3.510 94 HG LEU 15 HG LEU 15 7.214 -5.329 5.601 95 1HD1 LEU 15 2HD1 LEU 15 9.782 -6.454 4.397 96 2HD1 LEU 15 1HD1 LEU 15 8.946 -7.117 5.793 97 3HD1 LEU 15 3HD1 LEU 15 8.176 -7.143 4.217 98 1HD2 LEU 15 3HD2 LEU 15 10.070 -4.235 5.705 99 2HD2 LEU 15 2HD2 LEU 15 8.653 -3.476 6.411 100 3HD2 LEU 15 1HD2 LEU 15 9.240 -4.999 7.050 101 H GLY 16 H GLY 16 7.795 -2.655 1.679 102 1HA GLY 16 2HA GLY 16 9.570 -0.460 2.094 103 2HA GLY 16 1HA GLY 16 8.881 -0.936 0.543 104 H CYS 17 H CYS 17 6.590 -0.382 0.228 105 HA CYS 17 HA CYS 17 6.108 2.431 0.879 106 1HB CYS 17 2HB CYS 17 4.622 0.405 -0.815 107 2HB CYS 17 1HB CYS 17 4.074 2.020 -0.596 108 H SER 18 H SER 18 3.573 2.807 1.144 109 HA SER 18 HA SER 18 2.573 1.121 3.405 110 1HB SER 18 2HB SER 18 2.525 4.184 3.214 111 2HB SER 18 1HB SER 18 1.831 3.229 4.537 112 HG SER 18 HG SER 18 4.527 3.175 3.657 113 H CYS 19 H CYS 19 0.197 1.553 3.774 114 HA CYS 19 HA CYS 19 -1.168 1.705 1.118 115 1HB CYS 19 2HB CYS 19 -1.720 0.272 3.679 116 2HB CYS 19 1HB CYS 19 -3.060 0.684 2.634 117 H LYS 20 H LYS 20 -1.555 3.790 0.852 118 HA LYS 20 HA LYS 20 -3.366 5.162 2.782 119 1HB LYS 20 2HB LYS 20 -0.703 5.867 2.487 120 2HB LYS 20 1HB LYS 20 -1.433 6.888 1.274 121 1HG LYS 20 2HG LYS 20 -1.550 8.248 3.191 122 2HG LYS 20 1HG LYS 20 -3.149 7.539 3.153 123 1HD LYS 20 2HD LYS 20 -2.542 7.167 5.392 124 2HD LYS 20 1HD LYS 20 -2.082 5.642 4.666 125 1HE LYS 20 2HE LYS 20 0.278 6.746 4.330 126 2HE LYS 20 1HE LYS 20 -0.286 7.946 5.483 127 1HZ LYS 20 3HZ LYS 20 -0.776 6.133 7.026 128 2HZ LYS 20 2HZ LYS 20 -0.124 5.023 5.917 129 3HZ LYS 20 1HZ LYS 20 0.870 6.212 6.612 130 H ASN 21 H ASN 21 -4.978 6.302 1.885 131 HA ASN 21 HA ASN 21 -6.615 6.775 0.286 132 1HB ASN 21 2HB ASN 21 -4.168 7.602 -1.366 133 2HB ASN 21 1HB ASN 21 -5.799 8.236 -1.531 134 1HD2 ASN 21 2HD2 ASN 21 -3.407 9.519 1.532 135 2HD2 ASN 21 1HD2 ASN 21 -2.981 8.140 0.638 136 H LYS 22 H LYS 22 -6.455 4.277 0.313 137 HA LYS 22 HA LYS 22 -6.482 2.212 -0.762 138 1HB LYS 22 2HB LYS 22 -8.050 2.281 -2.771 139 2HB LYS 22 1HB LYS 22 -8.677 3.028 -1.325 140 1HG LYS 22 2HG LYS 22 -8.231 5.261 -2.228 141 2HG LYS 22 1HG LYS 22 -7.352 4.586 -3.589 142 1HD LYS 22 2HD LYS 22 -9.947 3.339 -3.591 143 2HD LYS 22 1HD LYS 22 -10.211 5.044 -3.296 144 1HE LYS 22 2HE LYS 22 -8.522 3.950 -5.586 145 2HE LYS 22 1HE LYS 22 -10.187 4.492 -5.739 146 1HZ LYS 22 3HZ LYS 22 -9.376 6.654 -4.763 147 2HZ LYS 22 2HZ LYS 22 -7.804 6.093 -5.071 148 3HZ LYS 22 1HZ LYS 22 -8.898 6.300 -6.353 149 H VAL 23 H VAL 23 -4.029 3.159 -1.170 150 HA VAL 23 HA VAL 23 -3.236 1.928 -3.666 151 HB VAL 23 HB VAL 23 -3.535 4.738 -3.461 152 1HG1 VAL 23 2HG1 VAL 23 -0.597 4.071 -3.190 153 2HG1 VAL 23 1HG1 VAL 23 -1.191 5.622 -3.761 154 3HG1 VAL 23 3HG1 VAL 23 -1.543 5.087 -2.132 155 1HG2 VAL 23 2HG2 VAL 23 -1.882 3.086 -5.402 156 2HG2 VAL 23 1HG2 VAL 23 -3.573 3.516 -5.563 157 3HG2 VAL 23 3HG2 VAL 23 -2.339 4.761 -5.684 158 H CYS 24 H CYS 24 -1.279 0.820 -3.367 159 HA CYS 24 HA CYS 24 -0.212 0.866 -0.587 160 1HB CYS 24 2HB CYS 24 -0.696 -1.331 -1.561 161 2HB CYS 24 1HB CYS 24 0.336 -0.985 -2.929 162 H TYR 25 H TYR 25 0.448 3.190 -1.636 163 HA TYR 25 HA TYR 25 3.238 2.983 -2.700 164 1HB TYR 25 2HB TYR 25 1.366 5.355 -2.704 165 2HB TYR 25 1HB TYR 25 2.943 5.302 -3.421 166 HD1 TYR 25 HD2 TYR 25 1.865 2.106 -4.265 167 HD2 TYR 25 HD1 TYR 25 0.912 6.177 -5.110 168 HE1 TYR 25 HE2 TYR 25 0.852 1.436 -6.338 169 HE2 TYR 25 HE1 TYR 25 -0.106 5.489 -7.208 170 HH TYR 25 HH TYR 25 -1.022 2.445 -7.904 171 H ARG 26 H ARG 26 4.761 4.558 -1.934 172 HA ARG 26 HA ARG 26 4.577 4.905 1.004 173 1HB ARG 26 2HB ARG 26 6.667 4.038 -0.417 174 2HB ARG 26 1HB ARG 26 6.958 5.735 -0.692 175 1HG ARG 26 2HG ARG 26 6.468 5.618 2.084 176 2HG ARG 26 1HG ARG 26 7.329 4.128 1.774 177 1HD ARG 26 2HD ARG 26 8.375 6.753 0.660 178 2HD ARG 26 1HD ARG 26 8.713 6.299 2.319 179 HE ARG 26 HE ARG 26 9.855 5.087 -0.068 180 1HH1 ARG 26 2HH1 ARG 26 9.011 4.591 3.258 181 2HH1 ARG 26 1HH1 ARG 26 10.182 3.338 3.486 182 1HH2 ARG 26 1HH2 ARG 26 11.346 3.504 0.200 183 2HH2 ARG 26 2HH2 ARG 26 11.524 2.712 1.731 184 H ASN 27 H ASN 27 2.823 6.383 -0.457 185 HA ASN 27 HA ASN 27 1.960 8.483 -0.786 186 1HB ASN 27 2HB ASN 27 2.819 8.396 1.771 187 2HB ASN 27 1HB ASN 27 3.962 9.609 1.217 188 1HD2 ASN 27 2HD2 ASN 27 -0.003 10.530 1.568 189 2HD2 ASN 27 1HD2 ASN 27 0.521 8.919 1.698 190 H GLY 28 H GLY 28 3.976 7.703 -2.542 191 1HA GLY 28 2HA GLY 28 4.471 10.038 -3.978 192 2HA GLY 28 1HA GLY 28 5.899 9.761 -2.990 193 H ILE 29 H ILE 29 5.584 6.788 -3.257 194 HA ILE 29 HA ILE 29 6.536 6.547 -6.071 195 HB ILE 29 HB ILE 29 8.220 6.426 -4.165 196 1HG1 ILE 29 2HG1 ILE 29 8.122 3.992 -6.022 197 2HG1 ILE 29 1HG1 ILE 29 8.545 5.600 -6.573 198 1HG2 ILE 29 1HG2 ILE 29 6.724 4.841 -2.774 199 2HG2 ILE 29 3HG2 ILE 29 7.307 3.560 -3.828 200 3HG2 ILE 29 2HG2 ILE 29 8.439 4.475 -2.846 201 1HD1 ILE 29 3HD1 ILE 29 10.397 5.618 -4.806 202 2HD1 ILE 29 2HD1 ILE 29 10.068 3.908 -4.564 203 3HD1 ILE 29 1HD1 ILE 29 10.622 4.483 -6.126 204 HA PRO 30 HA PRO 30 3.300 3.469 -6.221 205 1HB PRO 30 2HB PRO 30 3.680 2.732 -8.890 206 2HB PRO 30 1HB PRO 30 2.664 4.037 -8.312 207 1HG PRO 30 2HG PRO 30 5.256 4.192 -9.690 208 2HG PRO 30 1HG PRO 30 4.086 5.473 -9.410 209 1HD PRO 30 2HD PRO 30 6.571 5.002 -7.959 210 2HD PRO 30 1HD PRO 30 5.387 6.302 -7.718 No H/Q in entry = 210 Start of MODEL 5 1 H CYS 1 H CYS 1 3.651 1.615 -5.052 2 HA CYS 1 HA CYS 1 5.909 -0.223 -5.574 3 1HB CYS 1 2HB CYS 1 4.129 0.430 -3.317 4 2HB CYS 1 1HB CYS 1 4.519 -1.258 -3.407 5 H GLY 2 H GLY 2 2.383 -0.332 -5.129 6 1HA GLY 2 2HA GLY 2 2.209 -2.624 -7.000 7 2HA GLY 2 1HA GLY 2 1.482 -2.771 -5.396 8 H GLU 3 H GLU 3 -0.271 -1.495 -4.886 9 HA GLU 3 HA GLU 3 -1.473 0.563 -6.345 10 1HB GLU 3 2HB GLU 3 -1.663 -1.817 -7.797 11 2HB GLU 3 1HB GLU 3 -3.197 -1.759 -7.003 12 1HG GLU 3 2HG GLU 3 -3.233 0.778 -7.860 13 2HG GLU 3 1HG GLU 3 -2.007 0.213 -8.981 14 H SER 4 H SER 4 -4.138 0.007 -6.212 15 HA SER 4 HA SER 4 -4.840 0.699 -3.640 16 1HB SER 4 2HB SER 4 -7.061 -0.849 -4.773 17 2HB SER 4 1HB SER 4 -6.932 0.898 -4.645 18 HG SER 4 HG SER 4 -5.842 -0.753 -6.665 19 H CYS 5 H CYS 5 -5.161 -0.137 -1.840 20 HA CYS 5 HA CYS 5 -4.947 -3.049 -1.439 21 1HB CYS 5 2HB CYS 5 -4.593 -2.098 1.032 22 2HB CYS 5 1HB CYS 5 -3.301 -2.073 -0.123 23 H VAL 6 H VAL 6 -7.283 -1.844 -2.370 24 HA VAL 6 HA VAL 6 -9.238 -1.548 -0.243 25 HB VAL 6 HB VAL 6 -9.619 -1.934 -3.252 26 1HG1 VAL 6 2HG1 VAL 6 -11.540 -1.006 -1.064 27 2HG1 VAL 6 1HG1 VAL 6 -11.860 -0.834 -2.782 28 3HG1 VAL 6 3HG1 VAL 6 -11.713 -2.431 -2.075 29 1HG2 VAL 6 1HG2 VAL 6 -9.502 0.593 -1.547 30 2HG2 VAL 6 3HG2 VAL 6 -8.292 0.084 -2.712 31 3HG2 VAL 6 2HG2 VAL 6 -9.891 0.548 -3.260 32 H TRP 7 H TRP 7 -9.133 -3.876 -2.906 33 HA TRP 7 HA TRP 7 -10.821 -5.777 -1.634 34 1HB TRP 7 2HB TRP 7 -10.289 -5.422 -4.154 35 2HB TRP 7 1HB TRP 7 -8.887 -6.434 -3.872 36 HD1 TRP 7 HD1 TRP 7 -12.801 -6.599 -3.670 37 HE1 TRP 7 HE1 TRP 7 -13.381 -9.021 -3.765 38 HE3 TRP 7 HE3 TRP 7 -8.192 -8.641 -3.532 39 HZ2 TRP 7 HZ2 TRP 7 -12.144 -11.600 -3.784 40 HZ3 TRP 7 HZ3 TRP 7 -7.894 -11.094 -3.586 41 HH2 TRP 7 HH2 TRP 7 -9.872 -12.575 -3.713 42 H ILE 8 H ILE 8 -7.359 -5.557 -2.024 43 HA ILE 8 HA ILE 8 -6.956 -7.401 0.207 44 HB ILE 8 HB ILE 8 -6.944 -8.872 -1.770 45 1HG1 ILE 8 2HG1 ILE 8 -4.405 -9.618 -1.645 46 2HG1 ILE 8 1HG1 ILE 8 -4.294 -8.437 -0.362 47 1HG2 ILE 8 2HG2 ILE 8 -6.138 -6.901 -3.338 48 2HG2 ILE 8 1HG2 ILE 8 -4.529 -7.466 -2.926 49 3HG2 ILE 8 3HG2 ILE 8 -5.665 -8.545 -3.713 50 1HD1 ILE 8 2HD1 ILE 8 -6.276 -9.588 0.755 51 2HD1 ILE 8 1HD1 ILE 8 -6.172 -10.826 -0.487 52 3HD1 ILE 8 3HD1 ILE 8 -4.837 -10.585 0.628 53 HA PRO 9 HA PRO 9 -3.869 -4.188 0.800 54 1HB PRO 9 2HB PRO 9 -2.864 -5.165 3.216 55 2HB PRO 9 1HB PRO 9 -4.236 -4.081 3.044 56 1HG PRO 9 2HG PRO 9 -4.215 -6.960 3.698 57 2HG PRO 9 1HG PRO 9 -5.477 -5.770 3.978 58 1HD PRO 9 2HD PRO 9 -5.432 -7.757 1.919 59 2HD PRO 9 1HD PRO 9 -6.599 -6.432 2.086 60 H CYS 10 H CYS 10 -1.679 -3.969 0.645 61 HA CYS 10 HA CYS 10 -0.255 -6.084 -0.727 62 1HB CYS 10 2HB CYS 10 1.679 -4.293 -0.342 63 2HB CYS 10 1HB CYS 10 0.417 -4.036 -1.512 64 H ILE 11 H ILE 11 1.699 -7.040 -0.097 65 HA ILE 11 HA ILE 11 2.130 -7.299 2.857 66 HB ILE 11 HB ILE 11 2.612 -9.339 0.712 67 1HG1 ILE 11 2HG1 ILE 11 0.417 -9.394 2.840 68 2HG1 ILE 11 1HG1 ILE 11 0.129 -8.792 1.221 69 1HG2 ILE 11 1HG2 ILE 11 2.730 -9.536 3.760 70 2HG2 ILE 11 3HG2 ILE 11 2.920 -10.903 2.676 71 3HG2 ILE 11 2HG2 ILE 11 4.107 -9.617 2.675 72 1HD1 ILE 11 2HD1 ILE 11 1.069 -11.082 0.397 73 2HD1 ILE 11 1HD1 ILE 11 0.795 -11.617 2.049 74 3HD1 ILE 11 3HD1 ILE 11 -0.547 -11.041 1.078 75 H SER 12 H SER 12 3.655 -7.550 -0.309 76 HA SER 12 HA SER 12 6.348 -7.504 0.541 77 1HB SER 12 2HB SER 12 5.004 -6.745 -2.093 78 2HB SER 12 1HB SER 12 6.762 -6.812 -1.897 79 HG SER 12 HG SER 12 6.543 -8.939 -1.166 80 H ALA 13 H ALA 13 4.153 -4.948 -0.414 81 HA ALA 13 HA ALA 13 5.882 -2.747 -0.448 82 1HB ALA 13 2HB ALA 13 3.439 -2.807 -1.158 83 2HB ALA 13 1HB ALA 13 3.012 -2.668 0.543 84 3HB ALA 13 3HB ALA 13 3.900 -1.377 -0.249 85 H ALA 14 H ALA 14 4.649 -4.488 2.268 86 HA ALA 14 HA ALA 14 4.739 -2.645 4.367 87 1HB ALA 14 1HB ALA 14 4.068 -5.068 4.557 88 2HB ALA 14 3HB ALA 14 5.768 -5.512 4.490 89 3HB ALA 14 2HB ALA 14 5.160 -4.566 5.839 90 H LEU 15 H LEU 15 7.400 -4.480 2.971 91 HA LEU 15 HA LEU 15 9.384 -3.048 4.584 92 1HB LEU 15 2HB LEU 15 9.376 -5.473 2.771 93 2HB LEU 15 1HB LEU 15 10.911 -4.705 3.110 94 HG LEU 15 HG LEU 15 9.036 -5.443 5.390 95 1HD1 LEU 15 1HD1 LEU 15 11.111 -7.232 4.050 96 2HD1 LEU 15 3HD1 LEU 15 10.338 -7.579 5.590 97 3HD1 LEU 15 2HD1 LEU 15 9.379 -7.520 4.122 98 1HD2 LEU 15 3HD2 LEU 15 12.066 -5.079 5.175 99 2HD2 LEU 15 2HD2 LEU 15 10.950 -3.944 5.914 100 3HD2 LEU 15 1HD2 LEU 15 11.207 -5.518 6.642 101 H GLY 16 H GLY 16 7.987 -1.395 2.981 102 1HA GLY 16 2HA GLY 16 9.968 -0.037 1.478 103 2HA GLY 16 1HA GLY 16 8.868 -0.881 0.379 104 H CYS 17 H CYS 17 6.820 -0.107 0.097 105 HA CYS 17 HA CYS 17 6.269 2.613 1.011 106 1HB CYS 17 2HB CYS 17 4.553 0.773 -0.679 107 2HB CYS 17 1HB CYS 17 4.409 2.486 -0.528 108 H SER 18 H SER 18 3.550 2.642 1.096 109 HA SER 18 HA SER 18 2.641 0.864 3.273 110 1HB SER 18 2HB SER 18 3.738 2.907 4.367 111 2HB SER 18 1HB SER 18 2.527 3.917 3.560 112 HG SER 18 HG SER 18 0.918 2.720 4.562 113 H CYS 19 H CYS 19 0.348 1.019 3.608 114 HA CYS 19 HA CYS 19 -1.084 1.725 1.103 115 1HB CYS 19 2HB CYS 19 -1.551 -0.464 1.672 116 2HB CYS 19 1HB CYS 19 -1.608 -0.132 3.385 117 H LYS 20 H LYS 20 -2.131 3.512 0.988 118 HA LYS 20 HA LYS 20 -3.787 4.535 3.168 119 1HB LYS 20 2HB LYS 20 -1.370 5.474 3.448 120 2HB LYS 20 1HB LYS 20 -1.666 6.384 1.980 121 1HG LYS 20 2HG LYS 20 -3.406 7.668 2.970 122 2HG LYS 20 1HG LYS 20 -3.672 6.503 4.253 123 1HD LYS 20 2HD LYS 20 -1.316 7.068 5.102 124 2HD LYS 20 1HD LYS 20 -1.314 8.400 3.956 125 1HE LYS 20 2HE LYS 20 -3.315 9.364 5.024 126 2HE LYS 20 1HE LYS 20 -3.435 7.984 6.109 127 1HZ LYS 20 2HZ LYS 20 -1.186 8.574 6.920 128 2HZ LYS 20 1HZ LYS 20 -1.279 10.004 6.008 129 3HZ LYS 20 3HZ LYS 20 -2.386 9.726 7.266 130 H ASN 21 H ASN 21 -5.506 5.526 2.378 131 HA ASN 21 HA ASN 21 -7.139 6.102 0.833 132 1HB ASN 21 2HB ASN 21 -5.424 8.107 0.906 133 2HB ASN 21 1HB ASN 21 -4.959 7.585 -0.705 134 1HD2 ASN 21 2HD2 ASN 21 -8.207 8.394 -2.107 135 2HD2 ASN 21 1HD2 ASN 21 -6.985 7.225 -2.227 136 H LYS 22 H LYS 22 -6.962 3.804 0.286 137 HA LYS 22 HA LYS 22 -6.760 1.994 -1.164 138 1HB LYS 22 2HB LYS 22 -8.161 2.405 -3.201 139 2HB LYS 22 1HB LYS 22 -8.878 3.049 -1.744 140 1HG LYS 22 2HG LYS 22 -8.137 5.330 -2.311 141 2HG LYS 22 1HG LYS 22 -7.306 4.741 -3.742 142 1HD LYS 22 2HD LYS 22 -9.635 3.844 -4.463 143 2HD LYS 22 1HD LYS 22 -10.279 4.831 -3.158 144 1HE LYS 22 2HE LYS 22 -8.607 5.857 -5.496 145 2HE LYS 22 1HE LYS 22 -10.335 6.099 -5.285 146 1HZ LYS 22 2HZ LYS 22 -9.750 7.191 -3.119 147 2HZ LYS 22 1HZ LYS 22 -8.136 7.185 -3.646 148 3HZ LYS 22 3HZ LYS 22 -9.313 8.035 -4.528 149 H VAL 23 H VAL 23 -4.248 3.113 -1.123 150 HA VAL 23 HA VAL 23 -3.237 2.284 -3.703 151 HB VAL 23 HB VAL 23 -3.559 5.087 -2.950 152 1HG1 VAL 23 3HG1 VAL 23 -0.652 4.296 -3.228 153 2HG1 VAL 23 2HG1 VAL 23 -1.229 5.934 -3.473 154 3HG1 VAL 23 1HG1 VAL 23 -1.396 5.175 -1.902 155 1HG2 VAL 23 2HG2 VAL 23 -2.342 3.721 -5.372 156 2HG2 VAL 23 1HG2 VAL 23 -3.978 4.330 -5.195 157 3HG2 VAL 23 3HG2 VAL 23 -2.634 5.452 -5.295 158 H CYS 24 H CYS 24 -1.340 1.106 -3.423 159 HA CYS 24 HA CYS 24 -0.267 1.013 -0.643 160 1HB CYS 24 2HB CYS 24 -0.171 -0.821 -3.031 161 2HB CYS 24 1HB CYS 24 1.026 -0.991 -1.794 162 H TYR 25 H TYR 25 0.380 3.320 -2.005 163 HA TYR 25 HA TYR 25 3.220 2.992 -2.832 164 1HB TYR 25 2HB TYR 25 1.549 5.495 -3.136 165 2HB TYR 25 1HB TYR 25 3.044 5.086 -3.920 166 HD1 TYR 25 HD1 TYR 25 1.862 2.026 -4.414 167 HD2 TYR 25 HD2 TYR 25 0.656 6.001 -5.377 168 HE1 TYR 25 HE1 TYR 25 0.624 1.193 -6.305 169 HE2 TYR 25 HE2 TYR 25 -0.590 5.152 -7.286 170 HH TYR 25 HH TYR 25 -0.166 2.517 -8.744 171 H ARG 26 H ARG 26 4.717 4.594 -2.273 172 HA ARG 26 HA ARG 26 4.600 5.302 0.596 173 1HB ARG 26 2HB ARG 26 7.054 5.823 0.237 174 2HB ARG 26 1HB ARG 26 6.651 4.183 -0.199 175 1HG ARG 26 2HG ARG 26 7.231 4.459 -2.367 176 2HG ARG 26 1HG ARG 26 6.312 5.937 -2.527 177 1HD ARG 26 2HD ARG 26 8.888 6.078 -0.967 178 2HD ARG 26 1HD ARG 26 8.982 5.952 -2.716 179 HE ARG 26 HE ARG 26 7.059 7.951 -2.071 180 1HH1 ARG 26 2HH1 ARG 26 10.461 7.319 -1.885 181 2HH1 ARG 26 1HH1 ARG 26 10.894 8.992 -1.984 182 1HH2 ARG 26 1HH2 ARG 26 7.582 10.076 -2.195 183 2HH2 ARG 26 2HH2 ARG 26 9.239 10.579 -2.167 184 H ASN 27 H ASN 27 2.954 6.615 -1.248 185 HA ASN 27 HA ASN 27 2.204 8.704 -1.916 186 1HB ASN 27 2HB ASN 27 3.916 9.560 0.487 187 2HB ASN 27 1HB ASN 27 2.623 10.511 -0.226 188 1HD2 ASN 27 2HD2 ASN 27 1.675 7.201 2.012 189 2HD2 ASN 27 1HD2 ASN 27 3.235 7.350 1.360 190 H GLY 28 H GLY 28 4.286 7.784 -3.407 191 1HA GLY 28 2HA GLY 28 5.176 10.081 -4.756 192 2HA GLY 28 1HA GLY 28 6.475 9.564 -3.689 193 H ILE 29 H ILE 29 5.548 6.685 -4.154 194 HA ILE 29 HA ILE 29 6.364 6.299 -6.968 195 HB ILE 29 HB ILE 29 7.922 5.524 -4.563 196 1HG1 ILE 29 2HG1 ILE 29 9.670 5.874 -6.759 197 2HG1 ILE 29 1HG1 ILE 29 8.392 7.015 -7.085 198 1HG2 ILE 29 3HG2 ILE 29 7.888 3.862 -7.113 199 2HG2 ILE 29 2HG2 ILE 29 9.204 3.798 -5.952 200 3HG2 ILE 29 1HG2 ILE 29 7.596 3.302 -5.473 201 1HD1 ILE 29 1HD1 ILE 29 8.687 7.895 -4.714 202 2HD1 ILE 29 3HD1 ILE 29 10.079 6.835 -4.562 203 3HD1 ILE 29 2HD1 ILE 29 10.084 8.126 -5.749 204 HA PRO 30 HA PRO 30 3.209 3.252 -6.338 205 1HB PRO 30 2HB PRO 30 3.319 2.094 -8.885 206 2HB PRO 30 1HB PRO 30 2.357 3.487 -8.421 207 1HG PRO 30 2HG PRO 30 4.845 3.388 -10.004 208 2HG PRO 30 1HG PRO 30 3.643 4.667 -9.913 209 1HD PRO 30 2HD PRO 30 6.216 4.644 -8.643 210 2HD PRO 30 1HD PRO 30 4.923 5.836 -8.414 No H/Q in entry = 210 Start of MODEL 6 1 H CYS 1 H CYS 1 3.643 2.102 -5.484 2 HA CYS 1 HA CYS 1 5.988 0.340 -5.882 3 1HB CYS 1 2HB CYS 1 4.195 1.127 -3.685 4 2HB CYS 1 1HB CYS 1 4.594 -0.553 -3.650 5 H GLY 2 H GLY 2 2.460 0.183 -5.448 6 1HA GLY 2 2HA GLY 2 2.322 -2.154 -7.233 7 2HA GLY 2 1HA GLY 2 1.683 -2.340 -5.595 8 H GLU 3 H GLU 3 -0.121 -1.202 -5.015 9 HA GLU 3 HA GLU 3 -1.513 0.822 -6.282 10 1HB GLU 3 2HB GLU 3 -1.604 -1.577 -7.852 11 2HB GLU 3 1HB GLU 3 -3.171 -1.417 -7.155 12 1HG GLU 3 2HG GLU 3 -3.548 0.726 -8.163 13 2HG GLU 3 1HG GLU 3 -1.840 0.978 -8.487 14 H SER 4 H SER 4 -4.121 0.169 -6.142 15 HA SER 4 HA SER 4 -4.980 0.611 -3.642 16 1HB SER 4 2HB SER 4 -7.110 -0.770 -4.367 17 2HB SER 4 1HB SER 4 -6.632 0.631 -5.320 18 HG SER 4 HG SER 4 -5.579 -1.946 -5.812 19 H CYS 5 H CYS 5 -5.728 -0.318 -1.931 20 HA CYS 5 HA CYS 5 -5.210 -3.169 -1.443 21 1HB CYS 5 2HB CYS 5 -4.493 -2.062 0.944 22 2HB CYS 5 1HB CYS 5 -3.356 -2.379 -0.336 23 H VAL 6 H VAL 6 -7.578 -1.747 -2.019 24 HA VAL 6 HA VAL 6 -9.170 -1.401 0.386 25 HB VAL 6 HB VAL 6 -10.110 -1.825 -2.501 26 1HG1 VAL 6 2HG1 VAL 6 -11.493 -0.617 -0.058 27 2HG1 VAL 6 1HG1 VAL 6 -12.143 -0.566 -1.689 28 3HG1 VAL 6 3HG1 VAL 6 -11.945 -2.105 -0.875 29 1HG2 VAL 6 3HG2 VAL 6 -9.452 0.742 -0.990 30 2HG2 VAL 6 2HG2 VAL 6 -8.593 0.117 -2.391 31 3HG2 VAL 6 1HG2 VAL 6 -10.242 0.689 -2.558 32 H TRP 7 H TRP 7 -9.000 -3.856 -2.139 33 HA TRP 7 HA TRP 7 -10.799 -5.685 -0.875 34 1HB TRP 7 2HB TRP 7 -10.086 -5.475 -3.391 35 2HB TRP 7 1HB TRP 7 -8.719 -6.472 -2.938 36 HD1 TRP 7 HD1 TRP 7 -9.247 -9.088 -2.222 37 HE1 TRP 7 HE1 TRP 7 -11.310 -10.428 -2.611 38 HE3 TRP 7 HE3 TRP 7 -12.492 -5.426 -3.495 39 HZ2 TRP 7 HZ2 TRP 7 -14.049 -10.122 -3.367 40 HZ3 TRP 7 HZ3 TRP 7 -14.838 -5.967 -4.051 41 HH2 TRP 7 HH2 TRP 7 -15.618 -8.313 -3.988 42 H ILE 8 H ILE 8 -7.285 -5.638 -1.266 43 HA ILE 8 HA ILE 8 -6.949 -7.124 1.218 44 HB ILE 8 HB ILE 8 -5.042 -8.373 -0.169 45 1HG1 ILE 8 2HG1 ILE 8 -7.113 -8.189 -2.382 46 2HG1 ILE 8 1HG1 ILE 8 -5.819 -7.012 -2.292 47 1HG2 ILE 8 3HG2 ILE 8 -6.918 -9.485 1.044 48 2HG2 ILE 8 2HG2 ILE 8 -7.970 -9.216 -0.335 49 3HG2 ILE 8 1HG2 ILE 8 -6.587 -10.289 -0.480 50 1HD1 ILE 8 3HD1 ILE 8 -4.193 -9.022 -2.179 51 2HD1 ILE 8 2HD1 ILE 8 -5.563 -10.004 -2.677 52 3HD1 ILE 8 1HD1 ILE 8 -4.980 -8.717 -3.718 53 HA PRO 9 HA PRO 9 -3.744 -3.986 1.448 54 1HB PRO 9 2HB PRO 9 -2.530 -4.941 3.789 55 2HB PRO 9 1HB PRO 9 -3.863 -3.799 3.706 56 1HG PRO 9 2HG PRO 9 -3.909 -6.644 4.472 57 2HG PRO 9 1HG PRO 9 -5.097 -5.391 4.796 58 1HD PRO 9 2HD PRO 9 -5.303 -7.469 2.836 59 2HD PRO 9 1HD PRO 9 -6.394 -6.084 3.029 60 H CYS 10 H CYS 10 -1.528 -3.796 1.166 61 HA CYS 10 HA CYS 10 -0.268 -5.864 -0.388 62 1HB CYS 10 2HB CYS 10 1.781 -4.147 0.266 63 2HB CYS 10 1HB CYS 10 0.698 -3.950 -1.076 64 H ILE 11 H ILE 11 1.498 -7.132 0.079 65 HA ILE 11 HA ILE 11 2.080 -7.632 2.977 66 HB ILE 11 HB ILE 11 2.397 -9.541 0.693 67 1HG1 ILE 11 2HG1 ILE 11 0.012 -9.069 0.794 68 2HG1 ILE 11 1HG1 ILE 11 0.291 -10.659 1.458 69 1HG2 ILE 11 2HG2 ILE 11 2.518 -9.878 3.707 70 2HG2 ILE 11 1HG2 ILE 11 2.312 -11.247 2.626 71 3HG2 ILE 11 3HG2 ILE 11 3.754 -10.255 2.521 72 1HD1 ILE 11 3HD1 ILE 11 0.311 -9.509 3.795 73 2HD1 ILE 11 2HD1 ILE 11 -0.364 -8.112 2.973 74 3HD1 ILE 11 1HD1 ILE 11 -1.232 -9.633 2.974 75 H SER 12 H SER 12 3.512 -7.996 -0.229 76 HA SER 12 HA SER 12 6.218 -8.035 0.653 77 1HB SER 12 2HB SER 12 5.211 -8.802 -1.652 78 2HB SER 12 1HB SER 12 5.389 -7.111 -2.135 79 HG SER 12 HG SER 12 7.401 -8.790 -1.047 80 H ALA 13 H ALA 13 4.108 -5.572 -0.598 81 HA ALA 13 HA ALA 13 6.035 -3.426 -0.451 82 1HB ALA 13 1HB ALA 13 3.399 -3.858 -1.575 83 2HB ALA 13 3HB ALA 13 3.399 -2.350 -0.683 84 3HB ALA 13 2HB ALA 13 4.563 -2.612 -1.968 85 H ALA 14 H ALA 14 3.932 -4.887 1.774 86 HA ALA 14 HA ALA 14 2.998 -2.931 3.475 87 1HB ALA 14 2HB ALA 14 2.772 -5.460 3.710 88 2HB ALA 14 1HB ALA 14 4.336 -5.453 4.503 89 3HB ALA 14 3HB ALA 14 2.986 -4.587 5.216 90 H LEU 15 H LEU 15 6.261 -4.259 3.563 91 HA LEU 15 HA LEU 15 7.162 -2.769 5.805 92 1HB LEU 15 2HB LEU 15 9.503 -3.345 4.652 93 2HB LEU 15 1HB LEU 15 8.561 -4.563 5.462 94 HG LEU 15 HG LEU 15 7.898 -4.172 2.570 95 1HD1 LEU 15 1HD1 LEU 15 10.371 -3.951 2.517 96 2HD1 LEU 15 3HD1 LEU 15 10.527 -5.454 3.414 97 3HD1 LEU 15 2HD1 LEU 15 9.860 -5.463 1.789 98 1HD2 LEU 15 2HD2 LEU 15 8.382 -6.592 4.374 99 2HD2 LEU 15 1HD2 LEU 15 6.823 -5.998 3.833 100 3HD2 LEU 15 3HD2 LEU 15 7.931 -6.723 2.684 101 H GLY 16 H GLY 16 8.776 -2.367 2.694 102 1HA GLY 16 2HA GLY 16 9.652 0.252 3.104 103 2HA GLY 16 1HA GLY 16 9.445 -0.473 1.514 104 H CYS 17 H CYS 17 7.083 -0.635 0.858 105 HA CYS 17 HA CYS 17 5.983 2.040 0.741 106 1HB CYS 17 2HB CYS 17 4.305 -0.264 -0.113 107 2HB CYS 17 1HB CYS 17 4.677 1.218 -0.934 108 H SER 18 H SER 18 3.536 2.235 1.025 109 HA SER 18 HA SER 18 2.442 0.868 3.403 110 1HB SER 18 2HB SER 18 2.866 3.910 3.308 111 2HB SER 18 1HB SER 18 2.018 3.033 4.594 112 HG SER 18 HG SER 18 4.711 2.772 3.772 113 H CYS 19 H CYS 19 0.236 0.842 3.402 114 HA CYS 19 HA CYS 19 -1.085 1.580 0.899 115 1HB CYS 19 2HB CYS 19 -1.693 -0.501 1.944 116 2HB CYS 19 1HB CYS 19 -2.079 0.293 3.450 117 H LYS 20 H LYS 20 -0.825 3.799 0.948 118 HA LYS 20 HA LYS 20 -2.438 5.358 2.924 119 1HB LYS 20 2HB LYS 20 -0.341 6.290 0.909 120 2HB LYS 20 1HB LYS 20 -1.160 7.308 2.080 121 1HG LYS 20 2HG LYS 20 -0.213 5.586 3.862 122 2HG LYS 20 1HG LYS 20 0.874 5.111 2.572 123 1HD LYS 20 2HD LYS 20 2.133 6.774 3.627 124 2HD LYS 20 1HD LYS 20 1.359 7.703 2.360 125 1HE LYS 20 2HE LYS 20 -0.399 8.446 3.952 126 2HE LYS 20 1HE LYS 20 0.314 7.457 5.219 127 1HZ LYS 20 3HZ LYS 20 1.712 9.657 3.817 128 2HZ LYS 20 2HZ LYS 20 0.960 9.793 5.335 129 3HZ LYS 20 1HZ LYS 20 2.294 8.759 5.136 130 H ASN 21 H ASN 21 -4.041 6.686 2.185 131 HA ASN 21 HA ASN 21 -5.969 7.050 0.905 132 1HB ASN 21 2HB ASN 21 -5.408 8.383 -1.155 133 2HB ASN 21 1HB ASN 21 -4.425 8.863 0.211 134 1HD2 ASN 21 2HD2 ASN 21 -1.366 7.797 -1.243 135 2HD2 ASN 21 1HD2 ASN 21 -2.137 8.230 0.208 136 H LYS 22 H LYS 22 -5.814 4.557 0.985 137 HA LYS 22 HA LYS 22 -6.136 2.464 0.043 138 1HB LYS 22 2HB LYS 22 -8.073 2.445 -1.512 139 2HB LYS 22 1HB LYS 22 -8.347 3.512 -0.158 140 1HG LYS 22 2HG LYS 22 -8.083 5.472 -1.483 141 2HG LYS 22 1HG LYS 22 -7.309 4.609 -2.798 142 1HD LYS 22 2HD LYS 22 -10.122 3.815 -2.035 143 2HD LYS 22 1HD LYS 22 -9.881 5.301 -2.932 144 1HE LYS 22 2HE LYS 22 -8.618 4.046 -4.683 145 2HE LYS 22 1HE LYS 22 -8.892 2.549 -3.801 146 1HZ LYS 22 2HZ LYS 22 -11.345 3.215 -3.963 147 2HZ LYS 22 1HZ LYS 22 -10.830 4.252 -5.205 148 3HZ LYS 22 3HZ LYS 22 -10.575 2.578 -5.336 149 H VAL 23 H VAL 23 -3.760 3.396 -0.882 150 HA VAL 23 HA VAL 23 -3.439 1.979 -3.381 151 HB VAL 23 HB VAL 23 -2.883 4.948 -2.915 152 1HG1 VAL 23 1HG1 VAL 23 -1.544 3.119 -4.912 153 2HG1 VAL 23 3HG1 VAL 23 -1.589 4.872 -5.085 154 3HG1 VAL 23 2HG1 VAL 23 -0.789 4.150 -3.699 155 1HG2 VAL 23 1HG2 VAL 23 -4.299 3.367 -5.102 156 2HG2 VAL 23 3HG2 VAL 23 -4.979 4.599 -4.051 157 3HG2 VAL 23 2HG2 VAL 23 -3.854 5.052 -5.309 158 H CYS 24 H CYS 24 -1.514 0.830 -3.261 159 HA CYS 24 HA CYS 24 0.053 1.092 -0.762 160 1HB CYS 24 2HB CYS 24 -0.110 -1.012 -2.923 161 2HB CYS 24 1HB CYS 24 1.113 -1.043 -1.699 162 H TYR 25 H TYR 25 0.925 3.166 -1.574 163 HA TYR 25 HA TYR 25 3.266 2.828 -3.412 164 1HB TYR 25 2HB TYR 25 1.615 5.242 -2.695 165 2HB TYR 25 1HB TYR 25 3.125 5.349 -3.546 166 HD1 TYR 25 HD1 TYR 25 1.595 2.331 -4.721 167 HD2 TYR 25 HD2 TYR 25 1.296 6.573 -5.028 168 HE1 TYR 25 HE1 TYR 25 0.392 2.082 -6.786 169 HE2 TYR 25 HE2 TYR 25 0.082 6.315 -7.122 170 HH TYR 25 HH TYR 25 -0.241 3.215 -8.709 171 H ARG 26 H ARG 26 5.076 4.246 -2.863 172 HA ARG 26 HA ARG 26 5.538 4.441 0.096 173 1HB ARG 26 2HB ARG 26 6.874 2.702 -1.391 174 2HB ARG 26 1HB ARG 26 7.782 4.080 -1.946 175 1HG ARG 26 2HG ARG 26 7.511 4.071 1.000 176 2HG ARG 26 1HG ARG 26 8.192 2.579 0.397 177 1HD ARG 26 2HD ARG 26 9.558 4.688 -1.004 178 2HD ARG 26 1HD ARG 26 9.512 5.138 0.691 179 HE ARG 26 HE ARG 26 11.053 2.991 -0.445 180 1HH1 ARG 26 1HH1 ARG 26 10.147 2.908 3.423 181 2HH1 ARG 26 2HH1 ARG 26 9.249 3.936 2.357 182 1HH2 ARG 26 1HH2 ARG 26 12.206 1.687 0.883 183 2HH2 ARG 26 2HH2 ARG 26 11.847 1.615 2.576 184 H ASN 27 H ASN 27 4.783 6.487 0.158 185 HA ASN 27 HA ASN 27 4.873 8.803 0.157 186 1HB ASN 27 2HB ASN 27 7.776 8.472 -0.822 187 2HB ASN 27 1HB ASN 27 7.095 9.848 0.024 188 1HD2 ASN 27 2HD2 ASN 27 8.033 6.461 2.129 189 2HD2 ASN 27 1HD2 ASN 27 7.908 6.396 0.437 190 H GLY 28 H GLY 28 3.591 7.816 -1.879 191 1HA GLY 28 2HA GLY 28 2.605 8.599 -3.826 192 2HA GLY 28 1HA GLY 28 3.858 9.807 -3.944 193 H ILE 29 H ILE 29 5.521 6.955 -3.737 194 HA ILE 29 HA ILE 29 5.876 6.908 -6.668 195 HB ILE 29 HB ILE 29 7.745 6.858 -4.834 196 1HG1 ILE 29 2HG1 ILE 29 7.998 6.571 -7.381 197 2HG1 ILE 29 1HG1 ILE 29 9.299 6.001 -6.366 198 1HG2 ILE 29 2HG2 ILE 29 6.759 4.852 -3.650 199 2HG2 ILE 29 1HG2 ILE 29 7.354 3.847 -4.949 200 3HG2 ILE 29 3HG2 ILE 29 8.482 4.773 -3.974 201 1HD1 ILE 29 3HD1 ILE 29 7.162 4.024 -7.203 202 2HD1 ILE 29 2HD1 ILE 29 8.425 4.474 -8.330 203 3HD1 ILE 29 1HD1 ILE 29 8.842 3.738 -6.795 204 HA PRO 30 HA PRO 30 3.016 3.513 -6.918 205 1HB PRO 30 2HB PRO 30 3.830 2.655 -9.519 206 2HB PRO 30 1HB PRO 30 2.483 3.694 -9.096 207 1HG PRO 30 2HG PRO 30 5.034 4.426 -10.309 208 2HG PRO 30 1HG PRO 30 3.604 5.423 -10.088 209 1HD PRO 30 2HD PRO 30 6.066 5.556 -8.593 210 2HD PRO 30 1HD PRO 30 4.593 6.503 -8.325 No H/Q in entry = 210 Start of MODEL 7 1 H CYS 1 H CYS 1 4.855 -1.335 2.297 2 HA CYS 1 HA CYS 1 7.355 -0.910 0.825 3 1HB CYS 1 2HB CYS 1 4.482 -1.318 0.197 4 2HB CYS 1 1HB CYS 1 5.395 -0.455 -0.986 5 H GLY 2 H GLY 2 4.395 0.904 1.546 6 1HA GLY 2 2HA GLY 2 5.899 3.449 1.386 7 2HA GLY 2 1HA GLY 2 4.496 3.254 0.332 8 H GLU 3 H GLU 3 2.474 2.984 1.271 9 HA GLU 3 HA GLU 3 1.789 2.933 3.995 10 1HB GLU 3 2HB GLU 3 2.915 5.361 3.421 11 2HB GLU 3 1HB GLU 3 1.255 5.744 3.133 12 1HG GLU 3 2HG GLU 3 1.087 4.349 5.555 13 2HG GLU 3 1HG GLU 3 2.634 5.160 5.711 14 H SER 4 H SER 4 -0.423 4.445 4.197 15 HA SER 4 HA SER 4 -2.432 3.006 3.009 16 1HB SER 4 2HB SER 4 -2.734 5.969 3.574 17 2HB SER 4 1HB SER 4 -3.950 4.704 3.762 18 HG SER 4 HG SER 4 -2.183 3.744 5.192 19 H CYS 5 H CYS 5 -3.803 3.165 1.456 20 HA CYS 5 HA CYS 5 -3.265 4.915 -0.845 21 1HB CYS 5 2HB CYS 5 -3.980 2.655 -2.110 22 2HB CYS 5 1HB CYS 5 -2.321 2.934 -1.653 23 H VAL 6 H VAL 6 -5.109 5.146 1.233 24 HA VAL 6 HA VAL 6 -7.746 4.257 0.596 25 HB VAL 6 HB VAL 6 -6.784 6.678 2.196 26 1HG1 VAL 6 1HG1 VAL 6 -9.555 5.414 1.976 27 2HG1 VAL 6 3HG1 VAL 6 -9.094 6.492 3.284 28 3HG1 VAL 6 2HG1 VAL 6 -9.122 7.081 1.633 29 1HG2 VAL 6 2HG2 VAL 6 -6.047 4.431 3.039 30 2HG2 VAL 6 1HG2 VAL 6 -7.157 5.215 4.147 31 3HG2 VAL 6 3HG2 VAL 6 -7.725 3.921 3.104 32 H TRP 7 H TRP 7 -6.306 7.462 0.173 33 HA TRP 7 HA TRP 7 -8.401 8.491 -1.450 34 1HB TRP 7 2HB TRP 7 -6.732 9.857 -0.115 35 2HB TRP 7 1HB TRP 7 -5.511 9.456 -1.304 36 HD1 TRP 7 HD1 TRP 7 -9.204 10.405 -2.277 37 HE1 TRP 7 HE1 TRP 7 -9.024 12.500 -3.606 38 HE3 TRP 7 HE3 TRP 7 -4.266 11.387 -1.782 39 HZ2 TRP 7 HZ2 TRP 7 -7.111 14.443 -4.435 40 HZ3 TRP 7 HZ3 TRP 7 -3.274 13.378 -2.856 41 HH2 TRP 7 HH2 TRP 7 -4.695 14.907 -4.182 42 H ILE 8 H ILE 8 -5.118 7.496 -2.270 43 HA ILE 8 HA ILE 8 -6.014 6.577 -4.894 44 HB ILE 8 HB ILE 8 -3.601 7.705 -5.588 45 1HG1 ILE 8 2HG1 ILE 8 -3.614 10.083 -4.769 46 2HG1 ILE 8 1HG1 ILE 8 -4.840 9.657 -3.600 47 1HG2 ILE 8 3HG2 ILE 8 -5.746 7.908 -6.832 48 2HG2 ILE 8 2HG2 ILE 8 -6.295 9.121 -5.686 49 3HG2 ILE 8 1HG2 ILE 8 -4.924 9.453 -6.733 50 1HD1 ILE 8 1HD1 ILE 8 -2.225 8.121 -3.698 51 2HD1 ILE 8 3HD1 ILE 8 -2.324 9.659 -2.861 52 3HD1 ILE 8 2HD1 ILE 8 -3.325 8.317 -2.341 53 HA PRO 9 HA PRO 9 -3.166 3.300 -3.938 54 1HB PRO 9 2HB PRO 9 -2.809 2.265 -6.496 55 2HB PRO 9 1HB PRO 9 -4.164 1.901 -5.436 56 1HG PRO 9 2HG PRO 9 -4.088 3.638 -7.833 57 2HG PRO 9 1HG PRO 9 -5.465 2.843 -7.083 58 1HD PRO 9 2HD PRO 9 -4.784 5.609 -6.863 59 2HD PRO 9 1HD PRO 9 -6.020 4.747 -5.927 60 H CYS 10 H CYS 10 -0.988 2.637 -4.232 61 HA CYS 10 HA CYS 10 0.825 4.841 -4.803 62 1HB CYS 10 2HB CYS 10 2.588 3.084 -4.307 63 2HB CYS 10 1HB CYS 10 1.485 3.442 -3.019 64 H ILE 11 H ILE 11 2.318 4.981 -6.436 65 HA ILE 11 HA ILE 11 1.665 3.532 -8.934 66 HB ILE 11 HB ILE 11 3.477 5.868 -8.465 67 1HG1 ILE 11 2HG1 ILE 11 0.655 5.941 -9.633 68 2HG1 ILE 11 1HG1 ILE 11 0.960 6.228 -7.934 69 1HG2 ILE 11 1HG2 ILE 11 2.308 4.716 -11.042 70 2HG2 ILE 11 3HG2 ILE 11 3.249 6.196 -10.956 71 3HG2 ILE 11 2HG2 ILE 11 4.000 4.664 -10.573 72 1HD1 ILE 11 3HD1 ILE 11 2.643 8.051 -8.703 73 2HD1 ILE 11 2HD1 ILE 11 1.863 7.920 -10.273 74 3HD1 ILE 11 1HD1 ILE 11 0.931 8.400 -8.866 75 H SER 12 H SER 12 4.485 4.384 -6.989 76 HA SER 12 HA SER 12 6.369 2.822 -8.434 77 1HB SER 12 2HB SER 12 6.412 3.913 -5.575 78 2HB SER 12 1HB SER 12 7.822 3.228 -6.401 79 HG SER 12 HG SER 12 7.925 5.267 -7.026 80 H ALA 13 H ALA 13 4.866 2.294 -5.295 81 HA ALA 13 HA ALA 13 5.784 -0.383 -4.967 82 1HB ALA 13 2HB ALA 13 3.904 1.468 -3.562 83 2HB ALA 13 1HB ALA 13 3.729 -0.239 -3.198 84 3HB ALA 13 3HB ALA 13 5.265 0.567 -2.935 85 H ALA 14 H ALA 14 3.484 0.756 -7.081 86 HA ALA 14 HA ALA 14 1.388 -1.173 -6.888 87 1HB ALA 14 1HB ALA 14 1.687 1.017 -8.409 88 2HB ALA 14 3HB ALA 14 2.237 -0.144 -9.594 89 3HB ALA 14 2HB ALA 14 0.625 -0.286 -8.911 90 H LEU 15 H LEU 15 4.320 -1.113 -8.846 91 HA LEU 15 HA LEU 15 3.946 -3.812 -9.835 92 1HB LEU 15 2HB LEU 15 6.193 -1.777 -10.123 93 2HB LEU 15 1HB LEU 15 6.161 -3.307 -10.971 94 HG LEU 15 HG LEU 15 3.779 -1.420 -11.189 95 1HD1 LEU 15 2HD1 LEU 15 6.309 -1.293 -12.879 96 2HD1 LEU 15 1HD1 LEU 15 4.821 -0.418 -13.208 97 3HD1 LEU 15 3HD1 LEU 15 5.752 -0.051 -11.768 98 1HD2 LEU 15 1HD2 LEU 15 4.981 -3.480 -13.095 99 2HD2 LEU 15 3HD2 LEU 15 3.569 -3.740 -12.083 100 3HD2 LEU 15 2HD2 LEU 15 3.513 -2.556 -13.375 101 H GLY 16 H GLY 16 3.854 -4.697 -7.665 102 1HA GLY 16 2HA GLY 16 5.734 -6.412 -6.856 103 2HA GLY 16 1HA GLY 16 6.332 -4.914 -6.130 104 H CYS 17 H CYS 17 4.612 -3.626 -5.037 105 HA CYS 17 HA CYS 17 3.299 -5.292 -3.008 106 1HB CYS 17 2HB CYS 17 2.920 -2.355 -2.907 107 2HB CYS 17 1HB CYS 17 3.445 -3.468 -1.687 108 H SER 18 H SER 18 1.103 -4.830 -2.342 109 HA SER 18 HA SER 18 -0.723 -3.858 -4.491 110 1HB SER 18 2HB SER 18 -1.009 -6.523 -2.994 111 2HB SER 18 1HB SER 18 -2.177 -5.872 -4.157 112 HG SER 18 HG SER 18 -0.129 -5.645 -5.511 113 H CYS 19 H CYS 19 -2.307 -2.620 -3.747 114 HA CYS 19 HA CYS 19 -2.353 -1.817 -0.986 115 1HB CYS 19 2HB CYS 19 -2.926 -0.287 -2.808 116 2HB CYS 19 1HB CYS 19 -4.322 -1.255 -3.213 117 H LYS 20 H LYS 20 -3.471 -2.465 0.644 118 HA LYS 20 HA LYS 20 -6.053 -3.787 0.473 119 1HB LYS 20 2HB LYS 20 -3.565 -5.366 0.671 120 2HB LYS 20 1HB LYS 20 -4.565 -5.631 2.084 121 1HG LYS 20 2HG LYS 20 -6.457 -6.316 0.740 122 2HG LYS 20 1HG LYS 20 -5.668 -5.820 -0.747 123 1HD LYS 20 2HD LYS 20 -3.876 -7.544 -0.324 124 2HD LYS 20 1HD LYS 20 -4.770 -8.083 1.087 125 1HE LYS 20 2HE LYS 20 -6.734 -8.610 -0.369 126 2HE LYS 20 1HE LYS 20 -5.823 -8.077 -1.777 127 1HZ LYS 20 3HZ LYS 20 -4.111 -9.783 -0.996 128 2HZ LYS 20 2HZ LYS 20 -5.384 -10.432 -0.077 129 3HZ LYS 20 1HZ LYS 20 -5.521 -10.334 -1.767 130 H ASN 21 H ASN 21 -7.164 -3.164 2.143 131 HA ASN 21 HA ASN 21 -7.771 -2.062 4.082 132 1HB ASN 21 2HB ASN 21 -6.916 -4.351 4.890 133 2HB ASN 21 1HB ASN 21 -5.419 -3.551 5.344 134 1HD2 ASN 21 2HD2 ASN 21 -8.779 -3.018 7.586 135 2HD2 ASN 21 1HD2 ASN 21 -8.843 -3.868 6.117 136 H LYS 22 H LYS 22 -7.069 -0.086 3.125 137 HA LYS 22 HA LYS 22 -5.848 1.890 2.941 138 1HB LYS 22 2HB LYS 22 -5.871 3.068 5.127 139 2HB LYS 22 1HB LYS 22 -7.349 2.179 4.845 140 1HG LYS 22 2HG LYS 22 -6.647 0.370 6.347 141 2HG LYS 22 1HG LYS 22 -5.057 1.080 6.540 142 1HD LYS 22 2HD LYS 22 -6.115 1.823 8.465 143 2HD LYS 22 1HD LYS 22 -6.408 3.188 7.406 144 1HE LYS 22 2HE LYS 22 -8.666 2.234 6.844 145 2HE LYS 22 1HE LYS 22 -8.351 0.891 7.936 146 1HZ LYS 22 1HZ LYS 22 -7.988 2.632 9.689 147 2HZ LYS 22 3HZ LYS 22 -8.671 3.746 8.601 148 3HZ LYS 22 2HZ LYS 22 -9.584 2.421 9.148 149 H VAL 23 H VAL 23 -3.949 -0.150 2.665 150 HA VAL 23 HA VAL 23 -1.542 1.256 3.460 151 HB VAL 23 HB VAL 23 -2.576 -0.975 4.944 152 1HG1 VAL 23 1HG1 VAL 23 -0.151 -1.803 3.342 153 2HG1 VAL 23 3HG1 VAL 23 -0.634 -2.592 4.834 154 3HG1 VAL 23 2HG1 VAL 23 -1.696 -2.624 3.439 155 1HG2 VAL 23 2HG2 VAL 23 0.101 0.432 5.003 156 2HG2 VAL 23 1HG2 VAL 23 -1.314 0.784 5.976 157 3HG2 VAL 23 3HG2 VAL 23 -0.420 -0.702 6.243 158 H CYS 24 H CYS 24 0.023 1.080 1.838 159 HA CYS 24 HA CYS 24 -0.712 -0.727 -0.460 160 1HB CYS 24 2HB CYS 24 -0.312 1.992 -0.429 161 2HB CYS 24 1HB CYS 24 1.273 1.464 -0.903 162 H TYR 25 H TYR 25 0.286 -2.072 1.400 163 HA TYR 25 HA TYR 25 3.227 -2.368 1.259 164 1HB TYR 25 2HB TYR 25 1.117 -3.664 2.979 165 2HB TYR 25 1HB TYR 25 2.813 -4.036 3.078 166 HD1 TYR 25 HD2 TYR 25 2.720 -0.562 2.323 167 HD2 TYR 25 HD1 TYR 25 1.943 -3.296 5.509 168 HE1 TYR 25 HE2 TYR 25 2.994 1.220 3.916 169 HE2 TYR 25 HE1 TYR 25 2.223 -1.484 7.112 170 HH TYR 25 HH TYR 25 2.323 1.797 6.189 171 H ARG 26 H ARG 26 3.999 -4.652 1.264 172 HA ARG 26 HA ARG 26 2.843 -6.084 -1.066 173 1HB ARG 26 2HB ARG 26 5.403 -5.451 -0.647 174 2HB ARG 26 1HB ARG 26 5.397 -6.864 0.395 175 1HG ARG 26 2HG ARG 26 4.655 -8.288 -1.479 176 2HG ARG 26 1HG ARG 26 4.552 -6.892 -2.531 177 1HD ARG 26 2HD ARG 26 7.101 -6.539 -1.867 178 2HD ARG 26 1HD ARG 26 7.007 -8.244 -1.422 179 HE ARG 26 HE ARG 26 5.898 -7.725 -4.058 180 1HH1 ARG 26 2HH1 ARG 26 8.814 -8.235 -2.251 181 2HH1 ARG 26 1HH1 ARG 26 9.688 -8.841 -3.617 182 1HH2 ARG 26 1HH2 ARG 26 6.986 -8.482 -5.798 183 2HH2 ARG 26 2HH2 ARG 26 8.639 -8.983 -5.657 184 H ASN 27 H ASN 27 1.406 -6.033 1.258 185 HA ASN 27 HA ASN 27 0.232 -7.319 2.757 186 1HB ASN 27 2HB ASN 27 0.011 -8.583 0.456 187 2HB ASN 27 1HB ASN 27 1.123 -9.759 1.141 188 1HD2 ASN 27 2HD2 ASN 27 -2.669 -9.425 2.687 189 2HD2 ASN 27 1HD2 ASN 27 -2.008 -8.133 1.808 190 H GLY 28 H GLY 28 2.813 -6.701 3.552 191 1HA GLY 28 2HA GLY 28 3.176 -8.272 5.812 192 2HA GLY 28 1HA GLY 28 4.209 -8.982 4.577 193 H ILE 29 H ILE 29 4.923 -6.471 3.337 194 HA ILE 29 HA ILE 29 6.690 -5.351 5.462 195 HB ILE 29 HB ILE 29 7.671 -6.812 3.580 196 1HG1 ILE 29 2HG1 ILE 29 8.889 -4.022 3.819 197 2HG1 ILE 29 1HG1 ILE 29 8.949 -5.197 5.120 198 1HG2 ILE 29 2HG2 ILE 29 6.315 -5.538 1.768 199 2HG2 ILE 29 1HG2 ILE 29 7.560 -4.306 1.875 200 3HG2 ILE 29 3HG2 ILE 29 7.979 -5.945 1.399 201 1HD1 ILE 29 2HD1 ILE 29 10.065 -6.823 3.524 202 2HD1 ILE 29 1HD1 ILE 29 10.172 -5.510 2.357 203 3HD1 ILE 29 3HD1 ILE 29 11.017 -5.395 3.892 204 HA PRO 30 HA PRO 30 4.745 -1.478 4.410 205 1HB PRO 30 2HB PRO 30 6.751 0.185 5.560 206 2HB PRO 30 1HB PRO 30 5.283 -0.378 6.334 207 1HG PRO 30 2HG PRO 30 8.034 -1.264 6.771 208 2HG PRO 30 1HG PRO 30 6.607 -1.603 7.738 209 1HD PRO 30 2HD PRO 30 7.957 -3.397 5.947 210 2HD PRO 30 1HD PRO 30 6.452 -3.709 6.830 No H/Q in entry = 210 Start of MODEL 8 1 H CYS 1 H CYS 1 4.830 -1.335 2.235 2 HA CYS 1 HA CYS 1 7.305 -0.777 0.766 3 1HB CYS 1 2HB CYS 1 4.426 -1.176 0.145 4 2HB CYS 1 1HB CYS 1 5.357 -0.299 -1.023 5 H GLY 2 H GLY 2 4.356 0.955 1.689 6 1HA GLY 2 2HA GLY 2 5.821 3.516 1.633 7 2HA GLY 2 1HA GLY 2 4.434 3.370 0.550 8 H GLU 3 H GLU 3 2.397 3.000 1.451 9 HA GLU 3 HA GLU 3 1.651 2.800 4.136 10 1HB GLU 3 2HB GLU 3 2.732 5.331 3.569 11 2HB GLU 3 1HB GLU 3 1.033 5.624 3.573 12 1HG GLU 3 2HG GLU 3 1.369 4.022 5.874 13 2HG GLU 3 1HG GLU 3 2.837 4.980 5.850 14 H SER 4 H SER 4 -0.575 4.334 4.349 15 HA SER 4 HA SER 4 -2.538 2.955 3.049 16 1HB SER 4 2HB SER 4 -3.939 5.182 3.409 17 2HB SER 4 1HB SER 4 -3.274 4.356 4.813 18 HG SER 4 HG SER 4 -1.394 5.715 4.524 19 H CYS 5 H CYS 5 -3.754 3.029 1.426 20 HA CYS 5 HA CYS 5 -3.054 4.758 -0.870 21 1HB CYS 5 2HB CYS 5 -4.105 2.604 -2.088 22 2HB CYS 5 1HB CYS 5 -2.431 2.659 -1.621 23 H VAL 6 H VAL 6 -4.825 5.383 1.170 24 HA VAL 6 HA VAL 6 -7.581 4.987 0.289 25 HB VAL 6 HB VAL 6 -6.382 6.804 2.439 26 1HG1 VAL 6 2HG1 VAL 6 -9.280 6.077 1.808 27 2HG1 VAL 6 1HG1 VAL 6 -8.772 6.809 3.322 28 3HG1 VAL 6 3HG1 VAL 6 -8.576 7.686 1.818 29 1HG2 VAL 6 2HG2 VAL 6 -6.048 4.371 2.830 30 2HG2 VAL 6 1HG2 VAL 6 -7.168 5.054 3.994 31 3HG2 VAL 6 3HG2 VAL 6 -7.773 4.101 2.646 32 H TRP 7 H TRP 7 -5.758 7.949 0.911 33 HA TRP 7 HA TRP 7 -7.343 9.661 -0.661 34 1HB TRP 7 2HB TRP 7 -5.598 10.235 1.157 35 2HB TRP 7 1HB TRP 7 -4.385 10.088 -0.099 36 HD1 TRP 7 HD1 TRP 7 -4.203 12.087 -1.908 37 HE1 TRP 7 HE1 TRP 7 -5.414 14.262 -2.047 38 HE3 TRP 7 HE3 TRP 7 -7.803 11.350 1.557 39 HZ2 TRP 7 HZ2 TRP 7 -7.638 15.640 -0.900 40 HZ3 TRP 7 HZ3 TRP 7 -9.472 13.108 2.028 41 HH2 TRP 7 HH2 TRP 7 -9.393 15.254 0.801 42 H ILE 8 H ILE 8 -4.370 7.979 -1.360 43 HA ILE 8 HA ILE 8 -4.931 7.993 -4.209 44 HB ILE 8 HB ILE 8 -3.742 10.142 -3.904 45 1HG1 ILE 8 2HG1 ILE 8 -1.601 9.565 -5.327 46 2HG1 ILE 8 1HG1 ILE 8 -2.229 7.934 -5.349 47 1HG2 ILE 8 3HG2 ILE 8 -2.478 9.319 -1.783 48 2HG2 ILE 8 2HG2 ILE 8 -1.276 8.694 -2.901 49 3HG2 ILE 8 1HG2 ILE 8 -1.639 10.409 -2.868 50 1HD1 ILE 8 2HD1 ILE 8 -4.429 8.901 -6.234 51 2HD1 ILE 8 1HD1 ILE 8 -3.601 10.444 -6.382 52 3HD1 ILE 8 3HD1 ILE 8 -3.061 9.062 -7.322 53 HA PRO 9 HA PRO 9 -2.895 4.058 -3.309 54 1HB PRO 9 2HB PRO 9 -3.330 2.996 -5.884 55 2HB PRO 9 1HB PRO 9 -4.365 2.784 -4.482 56 1HG PRO 9 2HG PRO 9 -4.820 4.430 -6.860 57 2HG PRO 9 1HG PRO 9 -5.962 3.982 -5.601 58 1HD PRO 9 2HD PRO 9 -4.663 6.539 -5.962 59 2HD PRO 9 1HD PRO 9 -5.787 6.068 -4.672 60 H CYS 10 H CYS 10 -0.939 3.183 -3.761 61 HA CYS 10 HA CYS 10 1.038 4.901 -4.969 62 1HB CYS 10 2HB CYS 10 2.598 3.059 -4.484 63 2HB CYS 10 1HB CYS 10 1.628 3.475 -3.105 64 H ILE 11 H ILE 11 2.262 4.573 -6.795 65 HA ILE 11 HA ILE 11 0.992 2.947 -8.953 66 HB ILE 11 HB ILE 11 2.999 5.134 -9.271 67 1HG1 ILE 11 2HG1 ILE 11 1.141 6.193 -8.087 68 2HG1 ILE 11 1HG1 ILE 11 1.096 6.705 -9.755 69 1HG2 ILE 11 3HG2 ILE 11 1.042 3.788 -11.163 70 2HG2 ILE 11 2HG2 ILE 11 1.852 5.293 -11.569 71 3HG2 ILE 11 1HG2 ILE 11 2.792 3.842 -11.277 72 1HD1 ILE 11 1HD1 ILE 11 -0.678 4.972 -10.217 73 2HD1 ILE 11 3HD1 ILE 11 -0.671 4.549 -8.511 74 3HD1 ILE 11 2HD1 ILE 11 -1.173 6.149 -9.014 75 H SER 12 H SER 12 4.083 3.834 -7.528 76 HA SER 12 HA SER 12 5.666 2.034 -9.091 77 1HB SER 12 2HB SER 12 6.195 3.505 -6.460 78 2HB SER 12 1HB SER 12 7.435 2.592 -7.334 79 HG SER 12 HG SER 12 6.721 5.017 -7.821 80 H ALA 13 H ALA 13 4.707 2.015 -5.698 81 HA ALA 13 HA ALA 13 5.537 -0.630 -5.119 82 1HB ALA 13 2HB ALA 13 3.898 1.472 -3.792 83 2HB ALA 13 1HB ALA 13 3.578 -0.166 -3.245 84 3HB ALA 13 3HB ALA 13 5.200 0.497 -3.146 85 H ALA 14 H ALA 14 2.697 0.600 -6.655 86 HA ALA 14 HA ALA 14 0.804 -1.430 -6.208 87 1HB ALA 14 1HB ALA 14 1.129 0.762 -8.040 88 2HB ALA 14 3HB ALA 14 0.628 -0.625 -8.981 89 3HB ALA 14 2HB ALA 14 -0.349 -0.084 -7.630 90 H LEU 15 H LEU 15 3.650 -1.473 -8.179 91 HA LEU 15 HA LEU 15 3.035 -3.731 -9.798 92 1HB LEU 15 2HB LEU 15 5.661 -2.453 -8.936 93 2HB LEU 15 1HB LEU 15 5.587 -3.748 -10.110 94 HG LEU 15 HG LEU 15 3.919 -1.223 -10.492 95 1HD1 LEU 15 2HD1 LEU 15 6.817 -1.650 -11.340 96 2HD1 LEU 15 1HD1 LEU 15 5.789 -0.345 -11.910 97 3HD1 LEU 15 3HD1 LEU 15 6.233 -0.434 -10.217 98 1HD2 LEU 15 1HD2 LEU 15 3.457 -3.236 -11.937 99 2HD2 LEU 15 3HD2 LEU 15 4.057 -1.880 -12.869 100 3HD2 LEU 15 2HD2 LEU 15 5.130 -3.212 -12.473 101 H GLY 16 H GLY 16 5.677 -3.746 -7.449 102 1HA GLY 16 2HA GLY 16 5.529 -6.536 -6.946 103 2HA GLY 16 1HA GLY 16 6.429 -5.377 -5.973 104 H CYS 17 H CYS 17 4.736 -3.801 -4.883 105 HA CYS 17 HA CYS 17 3.335 -5.402 -2.907 106 1HB CYS 17 2HB CYS 17 2.805 -2.488 -2.878 107 2HB CYS 17 1HB CYS 17 3.432 -3.524 -1.640 108 H SER 18 H SER 18 1.095 -4.777 -2.252 109 HA SER 18 HA SER 18 -0.695 -3.994 -4.486 110 1HB SER 18 2HB SER 18 -1.015 -6.621 -2.940 111 2HB SER 18 1HB SER 18 -2.102 -6.017 -4.202 112 HG SER 18 HG SER 18 -0.094 -5.869 -5.504 113 H CYS 19 H CYS 19 -2.126 -2.622 -3.759 114 HA CYS 19 HA CYS 19 -2.325 -1.844 -1.031 115 1HB CYS 19 2HB CYS 19 -2.860 -0.308 -2.809 116 2HB CYS 19 1HB CYS 19 -4.151 -1.332 -3.379 117 H LYS 20 H LYS 20 -3.441 -2.536 0.586 118 HA LYS 20 HA LYS 20 -5.992 -3.927 0.322 119 1HB LYS 20 2HB LYS 20 -3.593 -5.455 0.395 120 2HB LYS 20 1HB LYS 20 -4.197 -5.560 2.028 121 1HG LYS 20 2HG LYS 20 -5.839 -6.166 -0.475 122 2HG LYS 20 1HG LYS 20 -5.035 -7.383 0.488 123 1HD LYS 20 2HD LYS 20 -7.109 -5.475 1.675 124 2HD LYS 20 1HD LYS 20 -7.530 -7.021 0.978 125 1HE LYS 20 2HE LYS 20 -7.272 -7.629 3.218 126 2HE LYS 20 1HE LYS 20 -5.651 -7.959 2.629 127 1HZ LYS 20 2HZ LYS 20 -5.883 -5.246 3.375 128 2HZ LYS 20 1HZ LYS 20 -6.395 -6.243 4.651 129 3HZ LYS 20 3HZ LYS 20 -4.845 -6.445 3.983 130 H ASN 21 H ASN 21 -7.210 -3.243 1.882 131 HA ASN 21 HA ASN 21 -7.943 -2.080 3.749 132 1HB ASN 21 2HB ASN 21 -7.384 -4.299 4.721 133 2HB ASN 21 1HB ASN 21 -5.733 -3.778 5.028 134 1HD2 ASN 21 2HD2 ASN 21 -6.620 -2.488 8.155 135 2HD2 ASN 21 1HD2 ASN 21 -5.454 -3.222 7.163 136 H LYS 22 H LYS 22 -7.084 -0.178 2.741 137 HA LYS 22 HA LYS 22 -5.800 1.759 2.576 138 1HB LYS 22 2HB LYS 22 -5.990 3.053 4.684 139 2HB LYS 22 1HB LYS 22 -7.463 2.199 4.298 140 1HG LYS 22 2HG LYS 22 -7.127 0.555 5.995 141 2HG LYS 22 1HG LYS 22 -5.444 0.986 6.228 142 1HD LYS 22 2HD LYS 22 -7.602 3.059 6.710 143 2HD LYS 22 1HD LYS 22 -7.268 1.848 7.931 144 1HE LYS 22 2HE LYS 22 -4.937 2.549 8.096 145 2HE LYS 22 1HE LYS 22 -5.115 3.643 6.730 146 1HZ LYS 22 3HZ LYS 22 -6.742 3.886 9.182 147 2HZ LYS 22 2HZ LYS 22 -5.242 4.661 8.992 148 3HZ LYS 22 1HZ LYS 22 -6.527 5.029 7.945 149 H VAL 23 H VAL 23 -3.951 -0.176 2.405 150 HA VAL 23 HA VAL 23 -1.579 1.096 3.469 151 HB VAL 23 HB VAL 23 -2.778 -1.254 4.682 152 1HG1 VAL 23 2HG1 VAL 23 -0.194 -1.925 3.270 153 2HG1 VAL 23 1HG1 VAL 23 -0.812 -2.853 4.624 154 3HG1 VAL 23 3HG1 VAL 23 -1.726 -2.768 3.131 155 1HG2 VAL 23 3HG2 VAL 23 -0.137 0.172 5.124 156 2HG2 VAL 23 2HG2 VAL 23 -1.638 0.378 6.013 157 3HG2 VAL 23 1HG2 VAL 23 -0.717 -1.106 6.183 158 H CYS 24 H CYS 24 -0.012 1.070 1.787 159 HA CYS 24 HA CYS 24 -0.748 -0.624 -0.589 160 1HB CYS 24 2HB CYS 24 -0.122 2.077 -0.399 161 2HB CYS 24 1HB CYS 24 1.370 1.406 -0.979 162 H TYR 25 H TYR 25 0.296 -1.929 1.470 163 HA TYR 25 HA TYR 25 3.185 -2.418 1.138 164 1HB TYR 25 2HB TYR 25 1.137 -3.700 2.961 165 2HB TYR 25 1HB TYR 25 2.848 -3.983 3.017 166 HD1 TYR 25 HD2 TYR 25 2.821 -0.590 2.239 167 HD2 TYR 25 HD1 TYR 25 1.775 -3.209 5.443 168 HE1 TYR 25 HE2 TYR 25 3.060 1.225 3.804 169 HE2 TYR 25 HE1 TYR 25 2.020 -1.365 7.015 170 HH TYR 25 HH TYR 25 2.432 1.920 5.950 171 H ARG 26 H ARG 26 3.860 -4.713 1.078 172 HA ARG 26 HA ARG 26 2.474 -6.100 -1.145 173 1HB ARG 26 2HB ARG 26 5.075 -5.630 -0.911 174 2HB ARG 26 1HB ARG 26 5.047 -6.955 0.232 175 1HG ARG 26 2HG ARG 26 3.632 -7.861 -2.113 176 2HG ARG 26 1HG ARG 26 5.078 -7.050 -2.679 177 1HD ARG 26 2HD ARG 26 4.955 -9.350 -0.689 178 2HD ARG 26 1HD ARG 26 5.645 -9.387 -2.310 179 HE ARG 26 HE ARG 26 7.030 -7.358 -0.993 180 1HH1 ARG 26 2HH1 ARG 26 6.437 -10.736 -0.512 181 2HH1 ARG 26 1HH1 ARG 26 7.941 -11.003 0.302 182 1HH2 ARG 26 1HH2 ARG 26 8.939 -7.667 0.039 183 2HH2 ARG 26 2HH2 ARG 26 9.381 -9.239 0.619 184 H ASN 27 H ASN 27 1.224 -5.925 1.311 185 HA ASN 27 HA ASN 27 0.111 -7.127 2.940 186 1HB ASN 27 2HB ASN 27 0.533 -9.410 0.924 187 2HB ASN 27 1HB ASN 27 -0.721 -9.341 2.155 188 1HD2 ASN 27 2HD2 ASN 27 -2.838 -7.267 0.252 189 2HD2 ASN 27 1HD2 ASN 27 -2.602 -8.122 1.699 190 H GLY 28 H GLY 28 2.799 -6.805 3.406 191 1HA GLY 28 2HA GLY 28 3.309 -8.536 5.529 192 2HA GLY 28 1HA GLY 28 4.149 -9.207 4.134 193 H ILE 29 H ILE 29 4.673 -6.440 3.076 194 HA ILE 29 HA ILE 29 6.744 -5.589 5.037 195 HB ILE 29 HB ILE 29 7.455 -7.008 2.983 196 1HG1 ILE 29 2HG1 ILE 29 8.915 -4.345 3.343 197 2HG1 ILE 29 1HG1 ILE 29 8.957 -5.610 4.556 198 1HG2 ILE 29 1HG2 ILE 29 6.121 -5.509 1.353 199 2HG2 ILE 29 3HG2 ILE 29 7.444 -4.366 1.495 200 3HG2 ILE 29 2HG2 ILE 29 7.736 -5.978 0.862 201 1HD1 ILE 29 1HD1 ILE 29 9.845 -7.197 2.783 202 2HD1 ILE 29 3HD1 ILE 29 9.983 -5.816 1.702 203 3HD1 ILE 29 2HD1 ILE 29 10.927 -5.872 3.182 204 HA PRO 30 HA PRO 30 4.749 -1.666 4.317 205 1HB PRO 30 2HB PRO 30 6.729 -0.075 5.583 206 2HB PRO 30 1HB PRO 30 5.305 -0.770 6.338 207 1HG PRO 30 2HG PRO 30 8.112 -1.601 6.583 208 2HG PRO 30 1HG PRO 30 6.742 -2.056 7.585 209 1HD PRO 30 2HD PRO 30 8.034 -3.668 5.587 210 2HD PRO 30 1HD PRO 30 6.575 -4.074 6.508 No H/Q in entry = 210 Start of MODEL 9 1 H CYS 1 H CYS 1 5.190 -1.304 1.884 2 HA CYS 1 HA CYS 1 7.517 -0.639 0.244 3 1HB CYS 1 2HB CYS 1 4.591 -1.102 -0.179 4 2HB CYS 1 1HB CYS 1 5.433 -0.236 -1.419 5 H GLY 2 H GLY 2 4.490 0.880 1.237 6 1HA GLY 2 2HA GLY 2 5.725 3.544 1.322 7 2HA GLY 2 1HA GLY 2 4.354 3.328 0.218 8 H GLU 3 H GLU 3 2.385 2.871 1.045 9 HA GLU 3 HA GLU 3 1.494 2.202 3.579 10 1HB GLU 3 2HB GLU 3 2.665 4.720 3.825 11 2HB GLU 3 1HB GLU 3 1.037 5.162 3.461 12 1HG GLU 3 2HG GLU 3 0.913 3.035 5.434 13 2HG GLU 3 1HG GLU 3 2.147 4.161 5.951 14 H SER 4 H SER 4 -0.651 3.952 3.894 15 HA SER 4 HA SER 4 -2.750 2.901 2.610 16 1HB SER 4 2HB SER 4 -3.789 5.340 2.798 17 2HB SER 4 1HB SER 4 -3.300 4.481 4.254 18 HG SER 4 HG SER 4 -1.877 5.997 4.523 19 H CYS 5 H CYS 5 -3.922 3.017 0.972 20 HA CYS 5 HA CYS 5 -3.217 4.681 -1.341 21 1HB CYS 5 2HB CYS 5 -3.843 2.389 -2.596 22 2HB CYS 5 1HB CYS 5 -2.224 2.647 -1.998 23 H VAL 6 H VAL 6 -5.159 4.895 0.667 24 HA VAL 6 HA VAL 6 -7.776 4.070 -0.242 25 HB VAL 6 HB VAL 6 -6.939 6.204 1.775 26 1HG1 VAL 6 1HG1 VAL 6 -9.654 4.937 1.190 27 2HG1 VAL 6 3HG1 VAL 6 -9.302 5.810 2.673 28 3HG1 VAL 6 2HG1 VAL 6 -9.249 6.645 1.134 29 1HG2 VAL 6 2HG2 VAL 6 -7.770 3.293 2.121 30 2HG2 VAL 6 1HG2 VAL 6 -6.160 3.946 2.387 31 3HG2 VAL 6 3HG2 VAL 6 -7.484 4.422 3.437 32 H TRP 7 H TRP 7 -6.393 7.297 0.095 33 HA TRP 7 HA TRP 7 -8.298 8.608 -1.540 34 1HB TRP 7 2HB TRP 7 -6.740 9.557 0.299 35 2HB TRP 7 1HB TRP 7 -5.514 9.659 -0.944 36 HD1 TRP 7 HD1 TRP 7 -5.601 11.809 -2.515 37 HE1 TRP 7 HE1 TRP 7 -7.322 13.587 -2.802 38 HE3 TRP 7 HE3 TRP 7 -9.333 9.935 0.328 39 HZ2 TRP 7 HZ2 TRP 7 -9.981 14.257 -1.989 40 HZ3 TRP 7 HZ3 TRP 7 -11.467 11.155 0.566 41 HH2 TRP 7 HH2 TRP 7 -11.792 13.316 -0.591 42 H ILE 8 H ILE 8 -4.968 7.656 -2.181 43 HA ILE 8 HA ILE 8 -5.516 7.707 -5.067 44 HB ILE 8 HB ILE 8 -2.925 8.539 -5.086 45 1HG1 ILE 8 2HG1 ILE 8 -2.567 10.321 -3.394 46 2HG1 ILE 8 1HG1 ILE 8 -4.014 9.832 -2.549 47 1HG2 ILE 8 1HG2 ILE 8 -4.827 9.658 -6.236 48 2HG2 ILE 8 3HG2 ILE 8 -5.308 10.402 -4.720 49 3HG2 ILE 8 2HG2 ILE 8 -3.781 10.839 -5.469 50 1HD1 ILE 8 3HD1 ILE 8 -1.783 7.838 -3.095 51 2HD1 ILE 8 2HD1 ILE 8 -1.714 8.918 -1.715 52 3HD1 ILE 8 1HD1 ILE 8 -3.027 7.766 -1.853 53 HA PRO 9 HA PRO 9 -3.220 3.889 -5.156 54 1HB PRO 9 2HB PRO 9 -1.803 4.226 -7.577 55 2HB PRO 9 1HB PRO 9 -3.401 3.522 -7.391 56 1HG PRO 9 2HG PRO 9 -2.662 6.158 -8.456 57 2HG PRO 9 1HG PRO 9 -4.183 5.294 -8.610 58 1HD PRO 9 2HD PRO 9 -3.654 7.531 -6.913 59 2HD PRO 9 1HD PRO 9 -5.124 6.541 -6.925 60 H CYS 10 H CYS 10 -1.018 3.023 -5.210 61 HA CYS 10 HA CYS 10 0.807 4.675 -3.667 62 1HB CYS 10 2HB CYS 10 2.007 2.253 -4.631 63 2HB CYS 10 1HB CYS 10 1.625 2.735 -3.012 64 H ILE 11 H ILE 11 3.147 4.620 -4.191 65 HA ILE 11 HA ILE 11 3.605 5.672 -6.934 66 HB ILE 11 HB ILE 11 5.912 5.784 -5.150 67 1HG1 ILE 11 2HG1 ILE 11 4.763 7.777 -3.787 68 2HG1 ILE 11 1HG1 ILE 11 3.292 6.875 -4.064 69 1HG2 ILE 11 3HG2 ILE 11 5.646 7.102 -7.216 70 2HG2 ILE 11 2HG2 ILE 11 4.293 7.966 -6.501 71 3HG2 ILE 11 1HG2 ILE 11 5.907 8.150 -5.834 72 1HD1 ILE 11 3HD1 ILE 11 4.723 4.821 -3.145 73 2HD1 ILE 11 2HD1 ILE 11 5.754 6.084 -2.496 74 3HD1 ILE 11 1HD1 ILE 11 4.069 5.992 -2.012 75 H SER 12 H SER 12 4.843 3.343 -4.618 76 HA SER 12 HA SER 12 6.816 2.201 -6.372 77 1HB SER 12 2HB SER 12 7.071 2.163 -3.896 78 2HB SER 12 1HB SER 12 5.633 1.147 -3.740 79 HG SER 12 HG SER 12 6.645 -0.457 -4.845 80 H ALA 13 H ALA 13 4.884 -0.182 -4.865 81 HA ALA 13 HA ALA 13 3.535 -1.897 -5.625 82 1HB ALA 13 2HB ALA 13 2.229 0.226 -6.482 83 2HB ALA 13 1HB ALA 13 2.776 -0.284 -8.072 84 3HB ALA 13 3HB ALA 13 1.784 -1.354 -7.098 85 H ALA 14 H ALA 14 6.115 -0.803 -7.470 86 HA ALA 14 HA ALA 14 5.979 -2.533 -9.752 87 1HB ALA 14 2HB ALA 14 8.388 -1.291 -8.352 88 2HB ALA 14 1HB ALA 14 8.409 -1.991 -9.966 89 3HB ALA 14 3HB ALA 14 7.459 -0.548 -9.647 90 H LEU 15 H LEU 15 7.431 -2.819 -6.569 91 HA LEU 15 HA LEU 15 8.735 -5.307 -6.926 92 1HB LEU 15 2HB LEU 15 7.689 -3.774 -4.543 93 2HB LEU 15 1HB LEU 15 8.346 -5.376 -4.298 94 HG LEU 15 HG LEU 15 9.951 -3.354 -5.900 95 1HD1 LEU 15 3HD1 LEU 15 9.837 -3.534 -2.857 96 2HD1 LEU 15 2HD1 LEU 15 11.035 -2.625 -3.766 97 3HD1 LEU 15 1HD1 LEU 15 9.345 -2.159 -3.832 98 1HD2 LEU 15 1HD2 LEU 15 10.688 -5.752 -5.772 99 2HD2 LEU 15 3HD2 LEU 15 11.846 -4.684 -5.003 100 3HD2 LEU 15 2HD2 LEU 15 10.741 -5.633 -4.021 101 H GLY 16 H GLY 16 5.482 -4.450 -6.134 102 1HA GLY 16 2HA GLY 16 3.773 -6.126 -6.971 103 2HA GLY 16 1HA GLY 16 4.651 -7.285 -5.973 104 H CYS 17 H CYS 17 4.285 -3.995 -4.957 105 HA CYS 17 HA CYS 17 3.128 -4.710 -2.451 106 1HB CYS 17 2HB CYS 17 2.820 -1.927 -3.520 107 2HB CYS 17 1HB CYS 17 3.224 -2.480 -1.932 108 H SER 18 H SER 18 1.217 -5.556 -2.282 109 HA SER 18 HA SER 18 -1.014 -4.819 -4.071 110 1HB SER 18 2HB SER 18 -0.834 -6.890 -1.824 111 2HB SER 18 1HB SER 18 -2.182 -6.725 -2.964 112 HG SER 18 HG SER 18 0.533 -7.301 -3.523 113 H CYS 19 H CYS 19 -2.530 -3.424 -3.539 114 HA CYS 19 HA CYS 19 -2.437 -2.040 -0.965 115 1HB CYS 19 2HB CYS 19 -2.850 -0.752 -2.981 116 2HB CYS 19 1HB CYS 19 -4.246 -1.724 -3.379 117 H LYS 20 H LYS 20 -3.150 -3.223 0.664 118 HA LYS 20 HA LYS 20 -6.000 -4.093 0.670 119 1HB LYS 20 2HB LYS 20 -3.624 -5.751 1.640 120 2HB LYS 20 1HB LYS 20 -5.308 -6.155 1.933 121 1HG LYS 20 2HG LYS 20 -5.623 -6.061 -0.633 122 2HG LYS 20 1HG LYS 20 -3.876 -6.041 -0.745 123 1HD LYS 20 2HD LYS 20 -3.713 -8.271 -0.328 124 2HD LYS 20 1HD LYS 20 -4.759 -8.178 1.072 125 1HE LYS 20 2HE LYS 20 -6.755 -8.126 -0.486 126 2HE LYS 20 1HE LYS 20 -5.653 -8.386 -1.832 127 1HZ LYS 20 1HZ LYS 20 -5.071 -10.276 0.130 128 2HZ LYS 20 3HZ LYS 20 -6.755 -10.268 -0.094 129 3HZ LYS 20 2HZ LYS 20 -5.723 -10.526 -1.418 130 H ASN 21 H ASN 21 -6.993 -3.904 2.617 131 HA ASN 21 HA ASN 21 -7.494 -2.836 4.624 132 1HB ASN 21 2HB ASN 21 -4.715 -3.929 5.333 133 2HB ASN 21 1HB ASN 21 -5.959 -3.477 6.491 134 1HD2 ASN 21 2HD2 ASN 21 -6.318 -6.965 4.376 135 2HD2 ASN 21 1HD2 ASN 21 -5.199 -5.786 3.890 136 H LYS 22 H LYS 22 -6.990 -1.018 2.993 137 HA LYS 22 HA LYS 22 -6.115 1.066 2.454 138 1HB LYS 22 2HB LYS 22 -6.365 2.656 4.381 139 2HB LYS 22 1HB LYS 22 -7.742 1.606 4.165 140 1HG LYS 22 2HG LYS 22 -7.074 0.230 6.063 141 2HG LYS 22 1HG LYS 22 -5.524 1.042 6.187 142 1HD LYS 22 2HD LYS 22 -6.381 2.720 7.437 143 2HD LYS 22 1HD LYS 22 -7.683 3.015 6.304 144 1HE LYS 22 2HE LYS 22 -8.885 0.993 7.308 145 2HE LYS 22 1HE LYS 22 -7.645 0.970 8.555 146 1HZ LYS 22 3HZ LYS 22 -9.247 3.374 7.932 147 2HZ LYS 22 2HZ LYS 22 -9.720 2.222 9.087 148 3HZ LYS 22 1HZ LYS 22 -8.274 3.089 9.294 149 H VAL 23 H VAL 23 -3.992 -0.647 2.605 150 HA VAL 23 HA VAL 23 -1.815 1.174 3.181 151 HB VAL 23 HB VAL 23 -2.578 -0.855 5.037 152 1HG1 VAL 23 1HG1 VAL 23 -0.045 -1.730 3.607 153 2HG1 VAL 23 3HG1 VAL 23 -0.602 -2.367 5.147 154 3HG1 VAL 23 2HG1 VAL 23 -1.547 -2.635 3.699 155 1HG2 VAL 23 3HG2 VAL 23 0.026 0.693 4.750 156 2HG2 VAL 23 2HG2 VAL 23 -1.396 1.185 5.657 157 3HG2 VAL 23 1HG2 VAL 23 -0.439 -0.179 6.204 158 H CYS 24 H CYS 24 -0.100 0.838 1.775 159 HA CYS 24 HA CYS 24 -0.539 -1.301 -0.297 160 1HB CYS 24 2HB CYS 24 -0.693 1.069 -1.089 161 2HB CYS 24 1HB CYS 24 0.958 1.320 -0.586 162 H TYR 25 H TYR 25 0.563 -2.810 0.953 163 HA TYR 25 HA TYR 25 3.537 -2.521 1.080 164 1HB TYR 25 2HB TYR 25 1.646 -4.115 2.835 165 2HB TYR 25 1HB TYR 25 3.376 -4.204 2.928 166 HD1 TYR 25 HD1 TYR 25 3.292 -0.859 2.354 167 HD2 TYR 25 HD2 TYR 25 1.835 -3.598 5.276 168 HE1 TYR 25 HE1 TYR 25 3.244 0.914 3.989 169 HE2 TYR 25 HE2 TYR 25 1.794 -1.806 6.921 170 HH TYR 25 HH TYR 25 2.056 1.458 6.100 171 H ARG 26 H ARG 26 4.608 -4.661 0.990 172 HA ARG 26 HA ARG 26 3.474 -6.265 -1.245 173 1HB ARG 26 2HB ARG 26 6.012 -5.249 -0.829 174 2HB ARG 26 1HB ARG 26 6.217 -6.843 -0.147 175 1HG ARG 26 2HG ARG 26 4.797 -7.097 -2.683 176 2HG ARG 26 1HG ARG 26 6.180 -6.053 -2.927 177 1HD ARG 26 2HD ARG 26 7.399 -8.031 -1.498 178 2HD ARG 26 1HD ARG 26 6.070 -8.955 -2.191 179 HE ARG 26 HE ARG 26 7.378 -7.343 -4.200 180 1HH1 ARG 26 2HH1 ARG 26 7.648 -10.233 -2.305 181 2HH1 ARG 26 1HH1 ARG 26 8.643 -11.041 -3.469 182 1HH2 ARG 26 1HH2 ARG 26 8.649 -8.356 -5.691 183 2HH2 ARG 26 2HH2 ARG 26 9.213 -9.968 -5.407 184 H ASN 27 H ASN 27 2.222 -6.436 1.140 185 HA ASN 27 HA ASN 27 1.360 -7.876 2.703 186 1HB ASN 27 2HB ASN 27 1.315 -9.179 0.361 187 2HB ASN 27 1HB ASN 27 2.492 -10.227 1.132 188 1HD2 ASN 27 2HD2 ASN 27 0.143 -11.629 3.412 189 2HD2 ASN 27 1HD2 ASN 27 1.793 -11.385 3.105 190 H GLY 28 H GLY 28 3.803 -6.859 3.437 191 1HA GLY 28 2HA GLY 28 4.534 -8.286 5.664 192 2HA GLY 28 1HA GLY 28 5.537 -8.968 4.391 193 H ILE 29 H ILE 29 5.746 -6.318 3.041 194 HA ILE 29 HA ILE 29 7.659 -5.033 4.929 195 HB ILE 29 HB ILE 29 8.556 -6.408 2.949 196 1HG1 ILE 29 2HG1 ILE 29 9.469 -3.489 3.063 197 2HG1 ILE 29 1HG1 ILE 29 9.851 -4.664 4.308 198 1HG2 ILE 29 2HG2 ILE 29 6.866 -5.328 1.319 199 2HG2 ILE 29 1HG2 ILE 29 7.963 -3.957 1.265 200 3HG2 ILE 29 3HG2 ILE 29 8.507 -5.544 0.744 201 1HD1 ILE 29 3HD1 ILE 29 10.908 -6.120 2.506 202 2HD1 ILE 29 2HD1 ILE 29 10.720 -4.764 1.402 203 3HD1 ILE 29 1HD1 ILE 29 11.739 -4.607 2.822 204 HA PRO 30 HA PRO 30 5.221 -1.406 4.037 205 1HB PRO 30 2HB PRO 30 7.074 0.481 5.055 206 2HB PRO 30 1HB PRO 30 5.768 -0.287 5.939 207 1HG PRO 30 2HG PRO 30 8.647 -0.799 6.113 208 2HG PRO 30 1HG PRO 30 7.371 -1.308 7.207 209 1HD PRO 30 2HD PRO 30 8.752 -2.932 5.275 210 2HD PRO 30 1HD PRO 30 7.395 -3.419 6.308 No H/Q in entry = 210 Start of MODEL 10 1 H CYS 1 H CYS 1 4.855 -1.477 2.400 2 HA CYS 1 HA CYS 1 7.412 -1.097 0.982 3 1HB CYS 1 2HB CYS 1 4.572 -1.572 0.292 4 2HB CYS 1 1HB CYS 1 5.412 -0.565 -0.837 5 H GLY 2 H GLY 2 4.400 0.690 1.596 6 1HA GLY 2 2HA GLY 2 5.888 3.249 1.629 7 2HA GLY 2 1HA GLY 2 4.524 3.082 0.514 8 H GLU 3 H GLU 3 2.479 2.852 1.340 9 HA GLU 3 HA GLU 3 1.594 2.493 3.943 10 1HB GLU 3 2HB GLU 3 2.798 5.073 3.547 11 2HB GLU 3 1HB GLU 3 1.101 5.348 3.714 12 1HG GLU 3 2HG GLU 3 2.666 3.579 5.660 13 2HG GLU 3 1HG GLU 3 2.482 5.306 5.881 14 H SER 4 H SER 4 -0.539 4.130 4.179 15 HA SER 4 HA SER 4 -2.587 3.002 2.815 16 1HB SER 4 2HB SER 4 -2.687 5.976 3.361 17 2HB SER 4 1HB SER 4 -3.972 4.782 3.546 18 HG SER 4 HG SER 4 -1.571 4.925 5.033 19 H CYS 5 H CYS 5 -3.803 3.252 1.194 20 HA CYS 5 HA CYS 5 -2.976 4.938 -1.081 21 1HB CYS 5 2HB CYS 5 -3.962 2.713 -2.312 22 2HB CYS 5 1HB CYS 5 -2.281 2.874 -1.884 23 H VAL 6 H VAL 6 -4.853 5.432 0.927 24 HA VAL 6 HA VAL 6 -7.556 5.016 -0.113 25 HB VAL 6 HB VAL 6 -6.532 6.725 2.206 26 1HG1 VAL 6 1HG1 VAL 6 -9.365 5.949 1.362 27 2HG1 VAL 6 3HG1 VAL 6 -8.970 6.596 2.945 28 3HG1 VAL 6 2HG1 VAL 6 -8.722 7.576 1.514 29 1HG2 VAL 6 1HG2 VAL 6 -7.808 3.959 2.130 30 2HG2 VAL 6 3HG2 VAL 6 -6.129 4.311 2.510 31 3HG2 VAL 6 2HG2 VAL 6 -7.404 4.854 3.588 32 H TRP 7 H TRP 7 -5.889 7.984 0.819 33 HA TRP 7 HA TRP 7 -7.421 9.785 -0.675 34 1HB TRP 7 2HB TRP 7 -5.703 10.229 1.203 35 2HB TRP 7 1HB TRP 7 -4.474 10.172 -0.042 36 HD1 TRP 7 HD1 TRP 7 -4.191 12.341 -1.603 37 HE1 TRP 7 HE1 TRP 7 -5.427 14.506 -1.635 38 HE3 TRP 7 HE3 TRP 7 -7.999 11.262 1.536 39 HZ2 TRP 7 HZ2 TRP 7 -7.747 15.755 -0.520 40 HZ3 TRP 7 HZ3 TRP 7 -9.726 12.954 2.046 41 HH2 TRP 7 HH2 TRP 7 -9.601 15.199 1.020 42 H ILE 8 H ILE 8 -4.471 8.128 -1.464 43 HA ILE 8 HA ILE 8 -4.959 8.439 -4.319 44 HB ILE 8 HB ILE 8 -3.646 10.437 -3.880 45 1HG1 ILE 8 2HG1 ILE 8 -1.634 8.426 -4.973 46 2HG1 ILE 8 1HG1 ILE 8 -3.045 8.916 -5.888 47 1HG2 ILE 8 2HG2 ILE 8 -2.634 9.429 -1.660 48 2HG2 ILE 8 1HG2 ILE 8 -1.341 8.858 -2.700 49 3HG2 ILE 8 3HG2 ILE 8 -1.683 10.573 -2.582 50 1HD1 ILE 8 3HD1 ILE 8 -2.320 11.313 -5.676 51 2HD1 ILE 8 2HD1 ILE 8 -0.860 10.770 -4.861 52 3HD1 ILE 8 1HD1 ILE 8 -1.151 10.321 -6.532 53 HA PRO 9 HA PRO 9 -3.418 4.259 -3.584 54 1HB PRO 9 2HB PRO 9 -3.796 3.482 -6.302 55 2HB PRO 9 1HB PRO 9 -4.864 3.162 -4.946 56 1HG PRO 9 2HG PRO 9 -5.229 5.050 -7.130 57 2HG PRO 9 1HG PRO 9 -6.381 4.580 -5.890 58 1HD PRO 9 2HD PRO 9 -4.920 7.063 -6.076 59 2HD PRO 9 1HD PRO 9 -6.047 6.570 -4.798 60 H CYS 10 H CYS 10 -1.495 3.249 -3.945 61 HA CYS 10 HA CYS 10 0.700 4.834 -4.865 62 1HB CYS 10 2HB CYS 10 1.886 2.502 -4.817 63 2HB CYS 10 1HB CYS 10 1.368 3.241 -3.337 64 H ILE 11 H ILE 11 2.066 4.520 -6.640 65 HA ILE 11 HA ILE 11 0.746 3.370 -9.065 66 HB ILE 11 HB ILE 11 2.892 5.447 -8.930 67 1HG1 ILE 11 2HG1 ILE 11 0.937 6.426 -7.840 68 2HG1 ILE 11 1HG1 ILE 11 1.107 7.146 -9.421 69 1HG2 ILE 11 2HG2 ILE 11 1.183 4.364 -11.185 70 2HG2 ILE 11 1HG2 ILE 11 1.957 5.935 -11.314 71 3HG2 ILE 11 3HG2 ILE 11 2.931 4.494 -11.102 72 1HD1 ILE 11 3HD1 ILE 11 -0.623 5.444 -10.272 73 2HD1 ILE 11 2HD1 ILE 11 -0.902 5.015 -8.592 74 3HD1 ILE 11 1HD1 ILE 11 -1.230 6.643 -9.148 75 H SER 12 H SER 12 3.931 3.933 -7.636 76 HA SER 12 HA SER 12 5.309 2.082 -9.323 77 1HB SER 12 2HB SER 12 6.083 3.377 -6.659 78 2HB SER 12 1HB SER 12 7.205 2.486 -7.696 79 HG SER 12 HG SER 12 6.540 3.897 -9.409 80 H ALA 13 H ALA 13 4.534 1.987 -5.886 81 HA ALA 13 HA ALA 13 5.221 -0.726 -5.445 82 1HB ALA 13 3HB ALA 13 3.509 1.266 -3.940 83 2HB ALA 13 2HB ALA 13 3.748 -0.364 -3.333 84 3HB ALA 13 1HB ALA 13 5.123 0.704 -3.547 85 H ALA 14 H ALA 14 2.578 0.561 -7.086 86 HA ALA 14 HA ALA 14 0.438 -1.163 -6.428 87 1HB ALA 14 3HB ALA 14 0.482 0.901 -8.004 88 2HB ALA 14 2HB ALA 14 0.988 -0.212 -9.259 89 3HB ALA 14 1HB ALA 14 -0.564 -0.430 -8.467 90 H LEU 15 H LEU 15 2.971 -1.563 -8.885 91 HA LEU 15 HA LEU 15 2.104 -4.107 -9.812 92 1HB LEU 15 2HB LEU 15 4.595 -2.448 -10.062 93 2HB LEU 15 1HB LEU 15 4.617 -4.098 -10.639 94 HG LEU 15 HG LEU 15 4.023 -2.295 -12.317 95 1HD1 LEU 15 2HD1 LEU 15 3.549 -4.746 -12.668 96 2HD1 LEU 15 1HD1 LEU 15 1.941 -4.504 -12.005 97 3HD1 LEU 15 3HD1 LEU 15 2.403 -3.711 -13.500 98 1HD2 LEU 15 1HD2 LEU 15 2.465 -0.972 -10.898 99 2HD2 LEU 15 3HD2 LEU 15 1.782 -1.411 -12.452 100 3HD2 LEU 15 2HD2 LEU 15 1.286 -2.275 -11.009 101 H GLY 16 H GLY 16 5.087 -3.361 -8.066 102 1HA GLY 16 2HA GLY 16 5.748 -5.971 -7.271 103 2HA GLY 16 1HA GLY 16 6.306 -4.514 -6.454 104 H CYS 17 H CYS 17 4.663 -3.476 -5.038 105 HA CYS 17 HA CYS 17 3.660 -5.419 -3.108 106 1HB CYS 17 2HB CYS 17 2.966 -2.517 -2.867 107 2HB CYS 17 1HB CYS 17 3.570 -3.623 -1.675 108 H SER 18 H SER 18 1.341 -4.499 -2.158 109 HA SER 18 HA SER 18 -0.588 -4.076 -4.360 110 1HB SER 18 2HB SER 18 -0.546 -6.588 -2.621 111 2HB SER 18 1HB SER 18 -1.972 -6.083 -3.541 112 HG SER 18 HG SER 18 0.641 -6.580 -4.523 113 H CYS 19 H CYS 19 -2.147 -2.766 -3.739 114 HA CYS 19 HA CYS 19 -2.258 -1.774 -1.017 115 1HB CYS 19 2HB CYS 19 -2.694 -0.277 -2.862 116 2HB CYS 19 1HB CYS 19 -4.028 -1.258 -3.415 117 H LYS 20 H LYS 20 -3.364 -2.531 0.589 118 HA LYS 20 HA LYS 20 -6.009 -3.734 0.305 119 1HB LYS 20 2HB LYS 20 -3.961 -5.523 0.093 120 2HB LYS 20 1HB LYS 20 -4.031 -5.429 1.840 121 1HG LYS 20 2HG LYS 20 -6.652 -5.754 1.445 122 2HG LYS 20 1HG LYS 20 -6.141 -6.372 -0.114 123 1HD LYS 20 2HD LYS 20 -4.730 -8.071 0.966 124 2HD LYS 20 1HD LYS 20 -5.088 -7.409 2.553 125 1HE LYS 20 2HE LYS 20 -7.487 -7.953 2.264 126 2HE LYS 20 1HE LYS 20 -7.166 -8.565 0.646 127 1HZ LYS 20 3HZ LYS 20 -5.563 -10.132 1.746 128 2HZ LYS 20 2HZ LYS 20 -6.258 -9.672 3.226 129 3HZ LYS 20 1HZ LYS 20 -7.213 -10.415 2.033 130 H ASN 21 H ASN 21 -7.189 -3.382 2.078 131 HA ASN 21 HA ASN 21 -7.850 -2.337 4.051 132 1HB ASN 21 2HB ASN 21 -5.293 -3.702 5.065 133 2HB ASN 21 1HB ASN 21 -6.620 -3.151 6.075 134 1HD2 ASN 21 2HD2 ASN 21 -7.065 -6.544 3.822 135 2HD2 ASN 21 1HD2 ASN 21 -5.807 -5.458 3.474 136 H LYS 22 H LYS 22 -7.090 -0.457 2.666 137 HA LYS 22 HA LYS 22 -6.002 1.575 2.353 138 1HB LYS 22 2HB LYS 22 -6.280 3.035 4.374 139 2HB LYS 22 1HB LYS 22 -7.712 2.114 3.987 140 1HG LYS 22 2HG LYS 22 -7.283 0.546 5.809 141 2HG LYS 22 1HG LYS 22 -5.702 1.254 6.115 142 1HD LYS 22 2HD LYS 22 -6.780 3.402 6.737 143 2HD LYS 22 1HD LYS 22 -8.362 2.710 6.410 144 1HE LYS 22 2HE LYS 22 -7.939 0.971 8.171 145 2HE LYS 22 1HE LYS 22 -6.395 1.738 8.528 146 1HZ LYS 22 3HZ LYS 22 -7.732 3.824 8.893 147 2HZ LYS 22 2HZ LYS 22 -9.109 2.829 8.897 148 3HZ LYS 22 1HZ LYS 22 -7.891 2.599 10.059 149 H VAL 23 H VAL 23 -4.038 -0.275 2.452 150 HA VAL 23 HA VAL 23 -1.768 1.272 3.383 151 HB VAL 23 HB VAL 23 -2.837 -0.901 4.910 152 1HG1 VAL 23 2HG1 VAL 23 -0.269 -1.774 3.551 153 2HG1 VAL 23 1HG1 VAL 23 -0.896 -2.502 5.020 154 3HG1 VAL 23 3HG1 VAL 23 -1.812 -2.608 3.533 155 1HG2 VAL 23 1HG2 VAL 23 -0.172 0.533 5.040 156 2HG2 VAL 23 3HG2 VAL 23 -1.646 0.951 5.895 157 3HG2 VAL 23 2HG2 VAL 23 -0.773 -0.508 6.325 158 H CYS 24 H CYS 24 -0.054 1.056 1.934 159 HA CYS 24 HA CYS 24 -0.545 -0.832 -0.347 160 1HB CYS 24 2HB CYS 24 -0.349 1.575 -0.956 161 2HB CYS 24 1HB CYS 24 1.245 1.622 -0.239 162 H TYR 25 H TYR 25 0.294 -2.394 1.393 163 HA TYR 25 HA TYR 25 3.274 -2.532 1.390 164 1HB TYR 25 2HB TYR 25 1.275 -4.053 3.113 165 2HB TYR 25 1HB TYR 25 3.004 -4.134 3.207 166 HD1 TYR 25 HD1 TYR 25 2.947 -0.803 2.612 167 HD2 TYR 25 HD2 TYR 25 1.491 -3.507 5.574 168 HE1 TYR 25 HE1 TYR 25 2.960 0.977 4.245 169 HE2 TYR 25 HE2 TYR 25 1.506 -1.703 7.212 170 HH TYR 25 HH TYR 25 2.862 0.566 7.458 171 H ARG 26 H ARG 26 4.144 -4.734 1.208 172 HA ARG 26 HA ARG 26 2.872 -6.113 -1.087 173 1HB ARG 26 2HB ARG 26 5.073 -7.387 -1.112 174 2HB ARG 26 1HB ARG 26 5.269 -5.660 -1.294 175 1HG ARG 26 2HG ARG 26 6.186 -5.358 0.821 176 2HG ARG 26 1HG ARG 26 5.377 -6.744 1.519 177 1HD ARG 26 2HD ARG 26 6.998 -8.002 -0.347 178 2HD ARG 26 1HD ARG 26 7.968 -6.592 0.046 179 HE ARG 26 HE ARG 26 8.396 -7.543 2.128 180 1HH1 ARG 26 2HH1 ARG 26 5.534 -8.935 0.766 181 2HH1 ARG 26 1HH1 ARG 26 5.357 -10.102 2.033 182 1HH2 ARG 26 1HH2 ARG 26 8.198 -9.015 3.744 183 2HH2 ARG 26 2HH2 ARG 26 6.887 -10.148 3.743 184 H ASN 27 H ASN 27 1.655 -6.164 1.419 185 HA ASN 27 HA ASN 27 0.647 -7.531 2.987 186 1HB ASN 27 2HB ASN 27 1.043 -9.539 0.698 187 2HB ASN 27 1HB ASN 27 -0.093 -9.742 2.025 188 1HD2 ASN 27 2HD2 ASN 27 -2.504 -7.587 0.619 189 2HD2 ASN 27 1HD2 ASN 27 -2.095 -8.634 1.890 190 H GLY 28 H GLY 28 3.142 -7.133 3.688 191 1HA GLY 28 2HA GLY 28 3.774 -9.227 5.431 192 2HA GLY 28 1HA GLY 28 4.777 -9.447 4.003 193 H ILE 29 H ILE 29 5.005 -6.519 3.575 194 HA ILE 29 HA ILE 29 6.427 -5.571 5.953 195 HB ILE 29 HB ILE 29 7.744 -6.990 3.933 196 1HG1 ILE 29 2HG1 ILE 29 9.344 -5.144 5.695 197 2HG1 ILE 29 1HG1 ILE 29 8.365 -6.387 6.447 198 1HG2 ILE 29 1HG2 ILE 29 7.748 -4.992 2.431 199 2HG2 ILE 29 3HG2 ILE 29 8.606 -4.078 3.663 200 3HG2 ILE 29 2HG2 ILE 29 9.372 -5.456 2.893 201 1HD1 ILE 29 2HD1 ILE 29 10.465 -6.896 4.303 202 2HD1 ILE 29 1HD1 ILE 29 10.661 -7.204 6.020 203 3HD1 ILE 29 3HD1 ILE 29 9.489 -8.126 5.093 204 HA PRO 30 HA PRO 30 4.747 -1.823 4.495 205 1HB PRO 30 2HB PRO 30 6.579 0.009 5.615 206 2HB PRO 30 1HB PRO 30 5.143 -0.644 6.384 207 1HG PRO 30 2HG PRO 30 7.969 -1.323 6.858 208 2HG PRO 30 1HG PRO 30 6.571 -1.650 7.872 209 1HD PRO 30 2HD PRO 30 7.968 -3.535 6.247 210 2HD PRO 30 1HD PRO 30 6.434 -3.802 7.096 No H/Q in entry = 210 Start of MODEL 11 1 H CYS 1 H CYS 1 4.916 -1.530 2.424 2 HA CYS 1 HA CYS 1 7.421 -1.108 0.956 3 1HB CYS 1 2HB CYS 1 4.627 -1.773 0.400 4 2HB CYS 1 1HB CYS 1 5.281 -0.702 -0.791 5 H GLY 2 H GLY 2 4.401 0.629 1.608 6 1HA GLY 2 2HA GLY 2 5.817 3.211 1.442 7 2HA GLY 2 1HA GLY 2 4.435 2.959 0.367 8 H GLU 3 H GLU 3 2.431 2.734 1.242 9 HA GLU 3 HA GLU 3 1.555 2.530 3.867 10 1HB GLU 3 2HB GLU 3 2.862 5.001 3.633 11 2HB GLU 3 1HB GLU 3 1.218 5.439 3.337 12 1HG GLU 3 2HG GLU 3 0.964 3.750 5.564 13 2HG GLU 3 1HG GLU 3 2.509 4.521 5.860 14 H SER 4 H SER 4 -0.557 4.224 4.076 15 HA SER 4 HA SER 4 -2.612 3.070 2.747 16 1HB SER 4 2HB SER 4 -3.871 5.282 3.143 17 2HB SER 4 1HB SER 4 -3.061 4.599 4.546 18 HG SER 4 HG SER 4 -1.198 5.904 3.819 19 H CYS 5 H CYS 5 -3.907 3.328 1.217 20 HA CYS 5 HA CYS 5 -3.179 4.979 -1.119 21 1HB CYS 5 2HB CYS 5 -4.320 2.803 -2.287 22 2HB CYS 5 1HB CYS 5 -2.620 2.904 -1.976 23 H VAL 6 H VAL 6 -4.961 5.453 1.015 24 HA VAL 6 HA VAL 6 -7.705 5.137 0.060 25 HB VAL 6 HB VAL 6 -6.573 6.847 2.336 26 1HG1 VAL 6 2HG1 VAL 6 -9.436 6.000 1.677 27 2HG1 VAL 6 1HG1 VAL 6 -8.950 6.752 3.188 28 3HG1 VAL 6 3HG1 VAL 6 -8.813 7.642 1.684 29 1HG2 VAL 6 3HG2 VAL 6 -7.807 4.060 2.346 30 2HG2 VAL 6 2HG2 VAL 6 -6.123 4.444 2.664 31 3HG2 VAL 6 1HG2 VAL 6 -7.367 4.974 3.780 32 H TRP 7 H TRP 7 -5.807 8.005 0.867 33 HA TRP 7 HA TRP 7 -7.337 9.702 -0.899 34 1HB TRP 7 2HB TRP 7 -6.215 10.234 1.431 35 2HB TRP 7 1HB TRP 7 -4.780 10.538 0.477 36 HD1 TRP 7 HD1 TRP 7 -4.828 12.716 -1.221 37 HE1 TRP 7 HE1 TRP 7 -6.418 14.632 -1.265 38 HE3 TRP 7 HE3 TRP 7 -8.500 10.915 1.740 39 HZ2 TRP 7 HZ2 TRP 7 -8.959 15.435 -0.222 40 HZ3 TRP 7 HZ3 TRP 7 -10.512 12.269 2.212 41 HH2 TRP 7 HH2 TRP 7 -10.742 14.529 1.233 42 H ILE 8 H ILE 8 -4.087 8.401 -0.766 43 HA ILE 8 HA ILE 8 -3.647 9.133 -3.589 44 HB ILE 8 HB ILE 8 -1.143 9.191 -2.772 45 1HG1 ILE 8 2HG1 ILE 8 -2.418 10.128 -0.174 46 2HG1 ILE 8 1HG1 ILE 8 -1.950 8.452 -0.366 47 1HG2 ILE 8 2HG2 ILE 8 -2.400 11.126 -3.699 48 2HG2 ILE 8 1HG2 ILE 8 -3.102 11.435 -2.119 49 3HG2 ILE 8 3HG2 ILE 8 -1.376 11.639 -2.373 50 1HD1 ILE 8 1HD1 ILE 8 0.380 9.195 -0.949 51 2HD1 ILE 8 3HD1 ILE 8 -0.102 10.854 -0.628 52 3HD1 ILE 8 2HD1 ILE 8 -0.107 9.673 0.668 53 HA PRO 9 HA PRO 9 -3.274 4.551 -3.369 54 1HB PRO 9 2HB PRO 9 -3.820 4.658 -6.236 55 2HB PRO 9 1HB PRO 9 -4.720 3.852 -4.961 56 1HG PRO 9 2HG PRO 9 -5.512 6.187 -6.322 57 2HG PRO 9 1HG PRO 9 -6.235 5.555 -4.849 58 1HD PRO 9 2HD PRO 9 -4.487 7.903 -5.176 59 2HD PRO 9 1HD PRO 9 -5.487 7.446 -3.784 60 H CYS 10 H CYS 10 -1.589 3.325 -3.931 61 HA CYS 10 HA CYS 10 0.865 4.598 -4.736 62 1HB CYS 10 2HB CYS 10 1.431 1.933 -4.919 63 2HB CYS 10 1HB CYS 10 1.457 2.851 -3.445 64 H ILE 11 H ILE 11 2.244 3.820 -6.453 65 HA ILE 11 HA ILE 11 0.838 2.978 -8.952 66 HB ILE 11 HB ILE 11 2.996 5.059 -8.843 67 1HG1 ILE 11 2HG1 ILE 11 1.054 5.983 -7.603 68 2HG1 ILE 11 1HG1 ILE 11 1.327 6.841 -9.096 69 1HG2 ILE 11 3HG2 ILE 11 1.104 4.136 -11.024 70 2HG2 ILE 11 2HG2 ILE 11 2.018 5.630 -11.149 71 3HG2 ILE 11 1HG2 ILE 11 2.859 4.098 -11.020 72 1HD1 ILE 11 3HD1 ILE 11 -0.579 4.577 -9.407 73 2HD1 ILE 11 2HD1 ILE 11 -1.117 5.828 -8.302 74 3HD1 ILE 11 1HD1 ILE 11 -0.703 6.237 -9.957 75 H SER 12 H SER 12 4.024 3.738 -7.651 76 HA SER 12 HA SER 12 5.409 1.774 -9.199 77 1HB SER 12 2HB SER 12 6.414 3.908 -8.124 78 2HB SER 12 1HB SER 12 6.429 3.016 -6.595 79 HG SER 12 HG SER 12 8.172 2.143 -7.345 80 H ALA 13 H ALA 13 4.559 2.020 -5.795 81 HA ALA 13 HA ALA 13 5.362 -0.584 -5.009 82 1HB ALA 13 1HB ALA 13 3.419 1.431 -3.828 83 2HB ALA 13 3HB ALA 13 3.735 -0.105 -3.037 84 3HB ALA 13 2HB ALA 13 5.038 1.044 -3.276 85 H ALA 14 H ALA 14 2.428 0.662 -6.413 86 HA ALA 14 HA ALA 14 0.599 -1.404 -5.877 87 1HB ALA 14 3HB ALA 14 0.227 0.837 -7.102 88 2HB ALA 14 2HB ALA 14 0.754 0.009 -8.560 89 3HB ALA 14 1HB ALA 14 -0.679 -0.541 -7.702 90 H LEU 15 H LEU 15 3.275 -1.367 -8.094 91 HA LEU 15 HA LEU 15 2.492 -3.641 -9.652 92 1HB LEU 15 2HB LEU 15 5.168 -2.260 -9.215 93 2HB LEU 15 1HB LEU 15 4.934 -3.542 -10.380 94 HG LEU 15 HG LEU 15 3.086 -1.126 -10.455 95 1HD1 LEU 15 1HD1 LEU 15 5.849 -1.266 -11.736 96 2HD1 LEU 15 3HD1 LEU 15 4.661 0.000 -12.003 97 3HD1 LEU 15 2HD1 LEU 15 5.390 -0.198 -10.420 98 1HD2 LEU 15 3HD2 LEU 15 2.609 -3.129 -11.888 99 2HD2 LEU 15 2HD2 LEU 15 2.985 -1.715 -12.855 100 3HD2 LEU 15 1HD2 LEU 15 4.194 -2.967 -12.625 101 H GLY 16 H GLY 16 5.409 -3.449 -7.651 102 1HA GLY 16 2HA GLY 16 5.600 -6.240 -7.185 103 2HA GLY 16 1HA GLY 16 6.441 -5.001 -6.249 104 H CYS 17 H CYS 17 4.783 -3.663 -4.937 105 HA CYS 17 HA CYS 17 3.590 -5.445 -2.966 106 1HB CYS 17 2HB CYS 17 3.002 -2.535 -2.813 107 2HB CYS 17 1HB CYS 17 3.623 -3.619 -1.607 108 H SER 18 H SER 18 1.302 -4.569 -2.140 109 HA SER 18 HA SER 18 -0.537 -3.996 -4.391 110 1HB SER 18 2HB SER 18 -0.720 -6.526 -2.668 111 2HB SER 18 1HB SER 18 -1.990 -5.976 -3.773 112 HG SER 18 HG SER 18 0.706 -6.553 -4.415 113 H CYS 19 H CYS 19 -2.115 -2.680 -3.792 114 HA CYS 19 HA CYS 19 -2.241 -1.698 -1.073 115 1HB CYS 19 2HB CYS 19 -2.675 -0.150 -2.828 116 2HB CYS 19 1HB CYS 19 -3.900 -1.173 -3.537 117 H LYS 20 H LYS 20 -3.374 -2.433 0.512 118 HA LYS 20 HA LYS 20 -6.030 -3.557 0.280 119 1HB LYS 20 2HB LYS 20 -3.855 -5.385 0.032 120 2HB LYS 20 1HB LYS 20 -4.354 -5.556 1.695 121 1HG LYS 20 2HG LYS 20 -6.510 -6.289 1.152 122 2HG LYS 20 1HG LYS 20 -6.507 -5.539 -0.428 123 1HD LYS 20 2HD LYS 20 -4.539 -7.776 0.140 124 2HD LYS 20 1HD LYS 20 -6.214 -8.160 -0.193 125 1HE LYS 20 2HE LYS 20 -5.210 -8.211 -2.343 126 2HE LYS 20 1HE LYS 20 -5.967 -6.630 -2.302 127 1HZ LYS 20 3HZ LYS 20 -3.209 -6.888 -1.357 128 2HZ LYS 20 2HZ LYS 20 -3.511 -6.922 -3.028 129 3HZ LYS 20 1HZ LYS 20 -3.982 -5.575 -2.108 130 H ASN 21 H ASN 21 -7.086 -3.418 2.187 131 HA ASN 21 HA ASN 21 -7.572 -2.554 4.302 132 1HB ASN 21 2HB ASN 21 -4.811 -3.662 5.073 133 2HB ASN 21 1HB ASN 21 -6.216 -3.485 6.113 134 1HD2 ASN 21 1HD2 ASN 21 -8.072 -4.944 5.698 135 2HD2 ASN 21 2HD2 ASN 21 -7.824 -6.424 4.904 136 H LYS 22 H LYS 22 -6.921 -0.681 2.729 137 HA LYS 22 HA LYS 22 -5.935 1.385 2.317 138 1HB LYS 22 2HB LYS 22 -6.200 2.904 4.313 139 2HB LYS 22 1HB LYS 22 -7.616 1.953 3.949 140 1HG LYS 22 2HG LYS 22 -7.187 0.450 5.821 141 2HG LYS 22 1HG LYS 22 -5.595 1.145 6.082 142 1HD LYS 22 2HD LYS 22 -6.978 2.154 7.738 143 2HD LYS 22 1HD LYS 22 -6.777 3.390 6.512 144 1HE LYS 22 2HE LYS 22 -8.990 2.881 5.568 145 2HE LYS 22 1HE LYS 22 -9.176 1.504 6.648 146 1HZ LYS 22 1HZ LYS 22 -8.836 4.298 7.566 147 2HZ LYS 22 3HZ LYS 22 -10.337 3.523 7.379 148 3HZ LYS 22 2HZ LYS 22 -9.216 2.942 8.516 149 H VAL 23 H VAL 23 -3.887 -0.385 2.427 150 HA VAL 23 HA VAL 23 -1.682 1.293 3.243 151 HB VAL 23 HB VAL 23 -2.639 -0.840 4.886 152 1HG1 VAL 23 3HG1 VAL 23 -0.130 -1.746 3.466 153 2HG1 VAL 23 2HG1 VAL 23 -0.659 -2.390 5.013 154 3HG1 VAL 23 1HG1 VAL 23 -1.659 -2.595 3.591 155 1HG2 VAL 23 3HG2 VAL 23 -0.024 0.693 4.912 156 2HG2 VAL 23 2HG2 VAL 23 -1.491 1.027 5.821 157 3HG2 VAL 23 1HG2 VAL 23 -0.517 -0.374 6.219 158 H CYS 24 H CYS 24 0.085 1.024 1.834 159 HA CYS 24 HA CYS 24 -0.401 -0.799 -0.478 160 1HB CYS 24 2HB CYS 24 1.361 1.639 -0.095 161 2HB CYS 24 1HB CYS 24 1.454 0.623 -1.491 162 H TYR 25 H TYR 25 0.303 -2.373 1.416 163 HA TYR 25 HA TYR 25 3.263 -2.693 1.508 164 1HB TYR 25 2HB TYR 25 1.044 -3.960 3.092 165 2HB TYR 25 1HB TYR 25 2.722 -4.364 3.281 166 HD1 TYR 25 HD1 TYR 25 2.756 -0.863 2.589 167 HD2 TYR 25 HD2 TYR 25 1.724 -3.645 5.659 168 HE1 TYR 25 HE1 TYR 25 2.956 0.883 4.235 169 HE2 TYR 25 HE2 TYR 25 1.933 -1.875 7.312 170 HH TYR 25 HH TYR 25 3.473 0.993 6.760 171 H ARG 26 H ARG 26 4.080 -4.884 1.406 172 HA ARG 26 HA ARG 26 2.895 -6.377 -0.887 173 1HB ARG 26 2HB ARG 26 5.465 -5.582 -0.533 174 2HB ARG 26 1HB ARG 26 5.582 -7.080 0.357 175 1HG ARG 26 2HG ARG 26 4.248 -7.291 -2.331 176 2HG ARG 26 1HG ARG 26 5.937 -6.839 -2.368 177 1HD ARG 26 2HD ARG 26 6.057 -9.182 -2.432 178 2HD ARG 26 1HD ARG 26 6.221 -8.905 -0.701 179 HE ARG 26 HE ARG 26 3.446 -9.124 -1.390 180 1HH1 ARG 26 2HH1 ARG 26 6.342 -10.999 -1.064 181 2HH1 ARG 26 1HH1 ARG 26 5.489 -12.456 -0.679 182 1HH2 ARG 26 1HH2 ARG 26 2.347 -10.944 -0.905 183 2HH2 ARG 26 2HH2 ARG 26 3.187 -12.426 -0.589 184 H ASN 27 H ASN 27 1.399 -6.542 1.199 185 HA ASN 27 HA ASN 27 0.362 -7.871 2.762 186 1HB ASN 27 2HB ASN 27 0.503 -9.268 0.503 187 2HB ASN 27 1HB ASN 27 1.634 -10.279 1.385 188 1HD2 ASN 27 2HD2 ASN 27 -0.876 -11.804 3.352 189 2HD2 ASN 27 1HD2 ASN 27 0.787 -11.647 3.053 190 H GLY 28 H GLY 28 2.841 -6.917 3.649 191 1HA GLY 28 2HA GLY 28 3.209 -8.216 6.049 192 2HA GLY 28 1HA GLY 28 4.300 -9.042 4.947 193 H ILE 29 H ILE 29 5.021 -6.681 3.449 194 HA ILE 29 HA ILE 29 6.836 -5.442 5.454 195 HB ILE 29 HB ILE 29 7.747 -6.766 3.467 196 1HG1 ILE 29 2HG1 ILE 29 8.666 -3.860 3.679 197 2HG1 ILE 29 1HG1 ILE 29 9.076 -5.108 4.841 198 1HG2 ILE 29 1HG2 ILE 29 6.048 -5.566 1.863 199 2HG2 ILE 29 3HG2 ILE 29 7.249 -4.288 1.803 200 3HG2 ILE 29 2HG2 ILE 29 7.664 -5.912 1.274 201 1HD1 ILE 29 2HD1 ILE 29 10.066 -6.452 2.893 202 2HD1 ILE 29 1HD1 ILE 29 9.894 -4.994 1.922 203 3HD1 ILE 29 3HD1 ILE 29 10.933 -4.991 3.336 204 HA PRO 30 HA PRO 30 4.783 -1.537 4.557 205 1HB PRO 30 2HB PRO 30 6.890 0.043 5.698 206 2HB PRO 30 1HB PRO 30 5.368 -0.405 6.442 207 1HG PRO 30 2HG PRO 30 8.012 -1.406 7.052 208 2HG PRO 30 1HG PRO 30 6.499 -1.789 7.857 209 1HD PRO 30 2HD PRO 30 8.014 -3.455 6.000 210 2HD PRO 30 1HD PRO 30 6.546 -3.880 6.901 No H/Q in entry = 210 Start of MODEL 12 1 H CYS 1 H CYS 1 4.866 -1.386 2.374 2 HA CYS 1 HA CYS 1 7.402 -1.048 0.892 3 1HB CYS 1 2HB CYS 1 4.600 -1.734 0.291 4 2HB CYS 1 1HB CYS 1 5.346 -0.747 -0.915 5 H GLY 2 H GLY 2 4.365 0.681 1.535 6 1HA GLY 2 2HA GLY 2 5.773 3.248 1.212 7 2HA GLY 2 1HA GLY 2 4.386 2.951 0.163 8 H GLU 3 H GLU 3 2.374 2.767 1.082 9 HA GLU 3 HA GLU 3 1.627 2.808 3.777 10 1HB GLU 3 2HB GLU 3 2.844 5.220 3.250 11 2HB GLU 3 1HB GLU 3 1.211 5.628 2.860 12 1HG GLU 3 2HG GLU 3 0.913 4.259 5.304 13 2HG GLU 3 1HG GLU 3 2.451 5.074 5.511 14 H SER 4 H SER 4 -0.520 4.329 3.991 15 HA SER 4 HA SER 4 -2.564 2.969 2.803 16 1HB SER 4 2HB SER 4 -2.770 5.919 3.489 17 2HB SER 4 1HB SER 4 -4.047 4.707 3.575 18 HG SER 4 HG SER 4 -1.623 4.596 5.032 19 H CYS 5 H CYS 5 -3.985 3.171 1.364 20 HA CYS 5 HA CYS 5 -3.342 4.624 -1.103 21 1HB CYS 5 2HB CYS 5 -5.113 2.253 -0.834 22 2HB CYS 5 1HB CYS 5 -4.253 2.759 -2.248 23 H VAL 6 H VAL 6 -4.805 5.562 1.198 24 HA VAL 6 HA VAL 6 -7.618 5.821 0.379 25 HB VAL 6 HB VAL 6 -6.053 7.100 2.678 26 1HG1 VAL 6 1HG1 VAL 6 -9.040 7.063 2.045 27 2HG1 VAL 6 3HG1 VAL 6 -8.388 7.507 3.615 28 3HG1 VAL 6 2HG1 VAL 6 -8.015 8.481 2.205 29 1HG2 VAL 6 1HG2 VAL 6 -6.265 4.605 2.775 30 2HG2 VAL 6 3HG2 VAL 6 -7.156 5.392 4.066 31 3HG2 VAL 6 2HG2 VAL 6 -8.011 4.761 2.666 32 H TRP 7 H TRP 7 -5.155 8.216 1.219 33 HA TRP 7 HA TRP 7 -6.338 10.404 -0.100 34 1HB TRP 7 2HB TRP 7 -4.418 10.350 1.648 35 2HB TRP 7 1HB TRP 7 -3.344 10.064 0.294 36 HD1 TRP 7 HD1 TRP 7 -2.984 12.119 -1.501 37 HE1 TRP 7 HE1 TRP 7 -3.552 14.533 -1.257 38 HE3 TRP 7 HE3 TRP 7 -5.992 11.940 2.551 39 HZ2 TRP 7 HZ2 TRP 7 -5.073 16.298 0.401 40 HZ3 TRP 7 HZ3 TRP 7 -7.002 14.002 3.461 41 HH2 TRP 7 HH2 TRP 7 -6.544 16.183 2.387 42 H ILE 8 H ILE 8 -3.949 8.093 -1.102 43 HA ILE 8 HA ILE 8 -4.598 8.359 -3.888 44 HB ILE 8 HB ILE 8 -3.103 10.292 -3.706 45 1HG1 ILE 8 2HG1 ILE 8 -1.361 8.116 -4.925 46 2HG1 ILE 8 1HG1 ILE 8 -2.865 8.600 -5.682 47 1HG2 ILE 8 3HG2 ILE 8 -1.904 9.361 -1.582 48 2HG2 ILE 8 2HG2 ILE 8 -0.828 8.545 -2.702 49 3HG2 ILE 8 1HG2 ILE 8 -0.947 10.294 -2.711 50 1HD1 ILE 8 3HD1 ILE 8 -2.041 10.978 -5.721 51 2HD1 ILE 8 2HD1 ILE 8 -0.503 10.419 -5.075 52 3HD1 ILE 8 1HD1 ILE 8 -1.035 9.890 -6.661 53 HA PRO 9 HA PRO 9 -3.032 4.142 -3.255 54 1HB PRO 9 2HB PRO 9 -3.614 3.373 -5.930 55 2HB PRO 9 1HB PRO 9 -4.610 3.077 -4.515 56 1HG PRO 9 2HG PRO 9 -5.061 4.967 -6.682 57 2HG PRO 9 1HG PRO 9 -6.153 4.511 -5.383 58 1HD PRO 9 2HD PRO 9 -4.667 6.974 -5.644 59 2HD PRO 9 1HD PRO 9 -5.741 6.500 -4.315 60 H CYS 10 H CYS 10 -1.167 3.084 -3.875 61 HA CYS 10 HA CYS 10 0.929 4.757 -4.928 62 1HB CYS 10 2HB CYS 10 2.219 2.509 -4.931 63 2HB CYS 10 1HB CYS 10 1.706 3.185 -3.422 64 H ILE 11 H ILE 11 2.439 3.837 -6.616 65 HA ILE 11 HA ILE 11 1.010 2.787 -9.009 66 HB ILE 11 HB ILE 11 2.859 4.471 -10.121 67 1HG1 ILE 11 2HG1 ILE 11 1.809 6.229 -7.876 68 2HG1 ILE 11 1HG1 ILE 11 3.318 5.368 -7.669 69 1HG2 ILE 11 2HG2 ILE 11 0.449 4.354 -10.715 70 2HG2 ILE 11 1HG2 ILE 11 0.038 5.270 -9.273 71 3HG2 ILE 11 3HG2 ILE 11 0.951 6.028 -10.567 72 1HD1 ILE 11 3HD1 ILE 11 4.193 6.403 -9.768 73 2HD1 ILE 11 2HD1 ILE 11 2.711 7.343 -9.896 74 3HD1 ILE 11 1HD1 ILE 11 3.796 7.590 -8.538 75 H SER 12 H SER 12 4.174 3.759 -7.807 76 HA SER 12 HA SER 12 5.670 1.840 -9.275 77 1HB SER 12 2HB SER 12 7.514 2.518 -7.589 78 2HB SER 12 1HB SER 12 6.739 3.877 -8.411 79 HG SER 12 HG SER 12 5.269 3.957 -6.623 80 H ALA 13 H ALA 13 4.874 2.055 -5.867 81 HA ALA 13 HA ALA 13 5.722 -0.568 -5.152 82 1HB ALA 13 2HB ALA 13 3.861 1.420 -3.805 83 2HB ALA 13 1HB ALA 13 4.325 -0.099 -3.051 84 3HB ALA 13 3HB ALA 13 5.545 1.107 -3.426 85 H ALA 14 H ALA 14 2.685 0.728 -6.303 86 HA ALA 14 HA ALA 14 0.904 -1.346 -5.635 87 1HB ALA 14 1HB ALA 14 0.963 0.367 -8.152 88 2HB ALA 14 3HB ALA 14 -0.417 -0.578 -7.617 89 3HB ALA 14 2HB ALA 14 0.159 0.758 -6.640 90 H LEU 15 H LEU 15 3.398 -1.311 -8.054 91 HA LEU 15 HA LEU 15 2.454 -3.512 -9.615 92 1HB LEU 15 2HB LEU 15 5.187 -2.231 -9.260 93 2HB LEU 15 1HB LEU 15 4.902 -3.521 -10.404 94 HG LEU 15 HG LEU 15 3.052 -1.119 -10.488 95 1HD1 LEU 15 2HD1 LEU 15 5.860 -1.180 -11.672 96 2HD1 LEU 15 1HD1 LEU 15 4.639 0.032 -12.034 97 3HD1 LEU 15 3HD1 LEU 15 5.294 -0.097 -10.412 98 1HD2 LEU 15 2HD2 LEU 15 2.658 -3.121 -11.949 99 2HD2 LEU 15 1HD2 LEU 15 3.004 -1.683 -12.892 100 3HD2 LEU 15 3HD2 LEU 15 4.249 -2.900 -12.659 101 H GLY 16 H GLY 16 5.438 -3.493 -7.707 102 1HA GLY 16 2HA GLY 16 5.542 -6.303 -7.322 103 2HA GLY 16 1HA GLY 16 6.461 -5.120 -6.390 104 H CYS 17 H CYS 17 4.838 -3.735 -5.028 105 HA CYS 17 HA CYS 17 3.704 -5.509 -3.019 106 1HB CYS 17 2HB CYS 17 3.182 -2.571 -2.906 107 2HB CYS 17 1HB CYS 17 3.710 -3.660 -1.667 108 H SER 18 H SER 18 1.515 -4.336 -2.085 109 HA SER 18 HA SER 18 -0.442 -3.974 -4.276 110 1HB SER 18 2HB SER 18 -0.328 -6.477 -3.786 111 2HB SER 18 1HB SER 18 -0.862 -6.123 -2.133 112 HG SER 18 HG SER 18 -2.190 -5.159 -4.439 113 H CYS 19 H CYS 19 -2.387 -3.102 -3.633 114 HA CYS 19 HA CYS 19 -2.272 -1.605 -1.059 115 1HB CYS 19 2HB CYS 19 -3.298 -1.046 -3.773 116 2HB CYS 19 1HB CYS 19 -4.309 -0.472 -2.469 117 H LYS 20 H LYS 20 -3.181 -2.794 0.426 118 HA LYS 20 HA LYS 20 -6.009 -3.667 0.098 119 1HB LYS 20 2HB LYS 20 -3.682 -5.322 1.179 120 2HB LYS 20 1HB LYS 20 -5.363 -5.746 1.463 121 1HG LYS 20 2HG LYS 20 -5.740 -5.815 -1.020 122 2HG LYS 20 1HG LYS 20 -4.039 -5.462 -1.271 123 1HD LYS 20 2HD LYS 20 -3.340 -7.540 -0.295 124 2HD LYS 20 1HD LYS 20 -4.930 -7.853 0.379 125 1HE LYS 20 2HE LYS 20 -4.614 -9.232 -1.631 126 2HE LYS 20 1HE LYS 20 -5.857 -8.033 -1.951 127 1HZ LYS 20 1HZ LYS 20 -3.003 -7.725 -2.685 128 2HZ LYS 20 3HZ LYS 20 -4.222 -8.260 -3.742 129 3HZ LYS 20 2HZ LYS 20 -4.282 -6.688 -3.102 130 H ASN 21 H ASN 21 -7.224 -3.338 1.850 131 HA ASN 21 HA ASN 21 -7.923 -2.221 3.765 132 1HB ASN 21 2HB ASN 21 -6.777 -4.445 4.564 133 2HB ASN 21 1HB ASN 21 -5.459 -3.420 5.111 134 1HD2 ASN 21 2HD2 ASN 21 -8.867 -3.612 7.262 135 2HD2 ASN 21 1HD2 ASN 21 -8.616 -4.570 5.883 136 H LYS 22 H LYS 22 -7.088 -0.353 2.444 137 HA LYS 22 HA LYS 22 -5.918 1.649 2.187 138 1HB LYS 22 2HB LYS 22 -6.147 3.045 4.309 139 2HB LYS 22 1HB LYS 22 -7.612 2.265 3.770 140 1HG LYS 22 2HG LYS 22 -7.378 0.513 5.490 141 2HG LYS 22 1HG LYS 22 -5.807 1.140 5.955 142 1HD LYS 22 2HD LYS 22 -7.066 2.140 7.571 143 2HD LYS 22 1HD LYS 22 -7.196 3.392 6.352 144 1HE LYS 22 2HE LYS 22 -9.238 1.147 6.748 145 2HE LYS 22 1HE LYS 22 -9.415 2.775 7.379 146 1HZ LYS 22 1HZ LYS 22 -9.079 3.496 4.975 147 2HZ LYS 22 3HZ LYS 22 -9.431 1.882 4.579 148 3HZ LYS 22 2HZ LYS 22 -10.575 2.820 5.414 149 H VAL 23 H VAL 23 -3.995 -0.266 2.254 150 HA VAL 23 HA VAL 23 -1.718 1.189 3.292 151 HB VAL 23 HB VAL 23 -2.889 -0.986 4.729 152 1HG1 VAL 23 1HG1 VAL 23 -0.305 -1.913 3.442 153 2HG1 VAL 23 3HG1 VAL 23 -1.014 -2.654 4.869 154 3HG1 VAL 23 2HG1 VAL 23 -1.871 -2.693 3.345 155 1HG2 VAL 23 2HG2 VAL 23 -0.210 0.405 4.983 156 2HG2 VAL 23 1HG2 VAL 23 -1.698 0.781 5.831 157 3HG2 VAL 23 3HG2 VAL 23 -0.833 -0.698 6.203 158 H CYS 24 H CYS 24 -0.021 1.058 1.822 159 HA CYS 24 HA CYS 24 -0.428 -0.803 -0.495 160 1HB CYS 24 2HB CYS 24 -0.144 1.575 -1.109 161 2HB CYS 24 1HB CYS 24 1.349 1.650 -0.204 162 H TYR 25 H TYR 25 0.269 -2.423 1.187 163 HA TYR 25 HA TYR 25 3.248 -2.626 1.430 164 1HB TYR 25 2HB TYR 25 1.065 -3.915 3.037 165 2HB TYR 25 1HB TYR 25 2.756 -4.222 3.253 166 HD1 TYR 25 HD2 TYR 25 2.875 -0.804 2.537 167 HD2 TYR 25 HD1 TYR 25 1.449 -3.442 5.571 168 HE1 TYR 25 HE2 TYR 25 2.966 0.997 4.139 169 HE2 TYR 25 HE1 TYR 25 1.553 -1.615 7.183 170 HH TYR 25 HH TYR 25 1.846 1.594 6.316 171 H ARG 26 H ARG 26 4.168 -4.692 1.264 172 HA ARG 26 HA ARG 26 2.861 -6.430 -0.795 173 1HB ARG 26 2HB ARG 26 5.222 -5.320 -1.129 174 2HB ARG 26 1HB ARG 26 5.820 -6.509 -0.006 175 1HG ARG 26 2HG ARG 26 4.115 -7.535 -2.274 176 2HG ARG 26 1HG ARG 26 5.697 -6.914 -2.694 177 1HD ARG 26 2HD ARG 26 6.594 -8.470 -0.787 178 2HD ARG 26 1HD ARG 26 5.017 -9.253 -0.897 179 HE ARG 26 HE ARG 26 6.106 -8.982 -3.522 180 1HH1 ARG 26 2HH1 ARG 26 6.559 -10.711 -0.553 181 2HH1 ARG 26 1HH1 ARG 26 7.247 -12.095 -1.333 182 1HH2 ARG 26 1HH2 ARG 26 6.977 -10.723 -4.530 183 2HH2 ARG 26 2HH2 ARG 26 7.489 -12.103 -3.617 184 H ASN 27 H ASN 27 1.597 -7.021 1.101 185 HA ASN 27 HA ASN 27 0.884 -8.618 2.604 186 1HB ASN 27 2HB ASN 27 2.016 -10.153 0.853 187 2HB ASN 27 1HB ASN 27 3.411 -10.218 1.918 188 1HD2 ASN 27 2HD2 ASN 27 -0.053 -12.110 3.018 189 2HD2 ASN 27 1HD2 ASN 27 -0.095 -10.921 1.806 190 H GLY 28 H GLY 28 1.318 -6.987 4.164 191 1HA GLY 28 2HA GLY 28 1.872 -6.473 6.343 192 2HA GLY 28 1HA GLY 28 2.784 -7.956 6.418 193 H ILE 29 H ILE 29 4.422 -6.772 3.999 194 HA ILE 29 HA ILE 29 6.361 -5.449 5.776 195 HB ILE 29 HB ILE 29 7.007 -7.271 4.138 196 1HG1 ILE 29 2HG1 ILE 29 9.058 -5.928 3.222 197 2HG1 ILE 29 1HG1 ILE 29 8.401 -4.564 4.097 198 1HG2 ILE 29 3HG2 ILE 29 5.554 -6.161 2.272 199 2HG2 ILE 29 2HG2 ILE 29 6.980 -5.184 1.968 200 3HG2 ILE 29 1HG2 ILE 29 7.071 -6.935 1.836 201 1HD1 ILE 29 3HD1 ILE 29 9.139 -7.272 5.298 202 2HD1 ILE 29 2HD1 ILE 29 10.062 -5.789 5.467 203 3HD1 ILE 29 1HD1 ILE 29 8.480 -5.924 6.212 204 HA PRO 30 HA PRO 30 4.786 -1.521 4.479 205 1HB PRO 30 2HB PRO 30 6.878 0.060 5.555 206 2HB PRO 30 1HB PRO 30 5.396 -0.419 6.358 207 1HG PRO 30 2HG PRO 30 8.122 -1.422 6.776 208 2HG PRO 30 1HG PRO 30 6.701 -1.660 7.780 209 1HD PRO 30 2HD PRO 30 7.913 -3.575 5.997 210 2HD PRO 30 1HD PRO 30 6.430 -3.777 6.950 No H/Q in entry = 210
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