NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5391 | 1hd6 | 4820 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 -8.657 -5.502 -4.555 2 H2 ASP 1 H2 ASP 1 -7.413 -6.212 -5.354 3 H3 ASP 1 H3 ASP 1 -8.912 -6.836 -5.481 4 HA ASP 1 HA ASP 1 -8.982 -7.642 -3.314 5 1HB ASP 1 1HB ASP 1 -7.009 -9.109 -3.123 6 2HB ASP 1 2HB ASP 1 -7.614 -9.064 -4.771 7 H ILE 2 H ILE 2 -7.448 -8.018 -1.254 8 HA ILE 2 HA ILE 2 -7.538 -5.609 0.098 9 HB ILE 2 HB ILE 2 -7.491 -7.914 1.001 10 1HG1 ILE 2 1HG1 ILE 2 -6.083 -7.546 3.016 11 2HG1 ILE 2 2HG1 ILE 2 -5.512 -6.022 2.327 12 1HG2 ILE 2 1HG2 ILE 2 -5.479 -8.752 -0.309 13 2HG2 ILE 2 2HG2 ILE 2 -4.446 -7.790 0.770 14 3HG2 ILE 2 3HG2 ILE 2 -5.413 -9.111 1.422 15 1HD1 ILE 2 1HD1 ILE 2 -8.425 -6.768 2.856 16 2HD1 ILE 2 2HD1 ILE 2 -7.402 -5.885 3.990 17 3HD1 ILE 2 3HD1 ILE 2 -7.802 -5.154 2.419 18 H CYS 3 H CYS 3 -4.854 -6.799 -1.876 19 HA CYS 3 HA CYS 3 -2.833 -5.041 -0.740 20 1HB CYS 3 1HB CYS 3 -2.706 -7.120 -2.444 21 2HB CYS 3 2HB CYS 3 -2.924 -5.826 -3.641 22 H ASP 4 H ASP 4 -5.226 -4.911 -3.296 23 HA ASP 4 HA ASP 4 -4.475 -2.304 -4.329 24 1HB ASP 4 1HB ASP 4 -5.473 -4.017 -5.691 25 2HB ASP 4 2HB ASP 4 -6.944 -3.997 -4.727 26 H ILE 5 H ILE 5 -6.804 -3.593 -1.989 27 HA ILE 5 HA ILE 5 -8.139 -1.185 -1.282 28 HB ILE 5 HB ILE 5 -7.378 -3.473 0.558 29 1HG1 ILE 5 1HG1 ILE 5 -9.853 -2.859 -1.088 30 2HG1 ILE 5 2HG1 ILE 5 -8.775 -4.183 -1.360 31 1HG2 ILE 5 1HG2 ILE 5 -7.878 -1.412 1.790 32 2HG2 ILE 5 2HG2 ILE 5 -9.449 -1.320 0.961 33 3HG2 ILE 5 3HG2 ILE 5 -9.063 -2.677 2.054 34 1HD1 ILE 5 1HD1 ILE 5 -9.503 -5.152 0.871 35 2HD1 ILE 5 2HD1 ILE 5 -10.660 -3.825 0.983 36 3HD1 ILE 5 3HD1 ILE 5 -10.783 -4.986 -0.339 37 H ALA 6 H ALA 6 -5.120 -2.631 0.109 38 HA ALA 6 HA ALA 6 -4.427 -0.431 1.749 39 1HB ALA 6 1HB ALA 6 -2.179 -1.378 1.768 40 2HB ALA 6 2HB ALA 6 -3.316 -2.746 1.754 41 3HB ALA 6 3HB ALA 6 -2.472 -2.276 0.276 42 H ILE 7 H ILE 7 -3.754 -0.985 -1.730 43 HA ILE 7 HA ILE 7 -2.156 1.377 -1.979 44 HB ILE 7 HB ILE 7 -3.527 -0.312 -4.055 45 1HG1 ILE 7 1HG1 ILE 7 -0.549 0.003 -3.467 46 2HG1 ILE 7 2HG1 ILE 7 -1.507 -1.149 -2.542 47 1HG2 ILE 7 1HG2 ILE 7 -1.563 1.991 -4.364 48 2HG2 ILE 7 2HG2 ILE 7 -2.003 0.875 -5.669 49 3HG2 ILE 7 3HG2 ILE 7 -3.226 1.943 -4.988 50 1HD1 ILE 7 1HD1 ILE 7 -2.166 -2.310 -4.616 51 2HD1 ILE 7 2HD1 ILE 7 -1.161 -1.184 -5.557 52 3HD1 ILE 7 3HD1 ILE 7 -0.410 -2.271 -4.371 53 H ALA 8 H ALA 8 -5.637 0.877 -2.403 54 HA ALA 8 HA ALA 8 -6.258 3.515 -3.285 55 1HB ALA 8 1HB ALA 8 -7.802 1.538 -3.208 56 2HB ALA 8 2HB ALA 8 -7.908 1.712 -1.456 57 3HB ALA 8 3HB ALA 8 -8.502 3.016 -2.503 58 H GLN 9 H GLN 9 -5.952 2.011 -0.120 59 HA GLN 9 HA GLN 9 -6.560 4.397 1.439 60 1HB GLN 9 1HB GLN 9 -5.544 1.583 2.030 61 2HB GLN 9 2HB GLN 9 -5.718 2.781 3.278 62 1HG GLN 9 1HG GLN 9 -8.185 3.077 2.289 63 2HG GLN 9 2HG GLN 9 -7.868 1.522 1.531 64 2HE2 GLN 9 2HE2 GLN 9 -9.356 0.271 2.806 65 1HE2 GLN 9 1HE2 GLN 9 -9.128 0.106 4.547 66 H CYS 10 H CYS 10 -3.788 3.103 -0.044 67 HA CYS 10 HA CYS 10 -1.612 3.268 0.034 68 1HB CYS 10 1HB CYS 10 -0.574 5.528 0.277 69 2HB CYS 10 2HB CYS 10 -1.636 5.221 -1.058 70 H SER 11 H SER 11 -1.964 1.948 1.886 71 HA SER 11 HA SER 11 -1.239 3.151 4.532 72 1HB SER 11 1HB SER 11 -3.628 2.671 4.391 73 2HB SER 11 2HB SER 11 -3.302 1.011 3.858 74 HG SER 11 HG SER 11 -3.730 1.566 6.210 75 H LEU 12 H LEU 12 0.702 2.412 5.160 76 HA LEU 12 HA LEU 12 1.745 -0.073 4.103 77 1HB LEU 12 1HB LEU 12 2.756 1.659 6.392 78 2HB LEU 12 2HB LEU 12 3.528 0.203 5.771 79 HG LEU 12 HG LEU 12 3.313 2.930 4.481 80 1HD1 LEU 12 1HD1 LEU 12 5.438 0.783 4.893 81 2HD1 LEU 12 2HD1 LEU 12 5.693 2.043 3.745 82 3HD1 LEU 12 3HD1 LEU 12 5.450 2.473 5.460 83 1HD2 LEU 12 1HD2 LEU 12 3.617 0.340 2.941 84 2HD2 LEU 12 2HD2 LEU 12 2.349 1.556 2.728 85 3HD2 LEU 12 3HD2 LEU 12 4.010 1.916 2.268 86 H THR 13 H THR 13 -0.031 0.618 7.196 87 HA THR 13 HA THR 13 0.624 -1.960 8.197 88 HB THR 13 HB THR 13 -2.080 -0.652 8.689 89 HG1 THR 13 HG1 THR 13 0.492 0.105 9.536 90 1HG2 THR 13 1HG2 THR 13 -1.568 -2.889 9.704 91 2HG2 THR 13 2HG2 THR 13 -0.124 -2.201 10.475 92 3HG2 THR 13 3HG2 THR 13 -1.743 -1.635 10.926 93 H LEU 14 H LEU 14 -2.139 -0.878 6.219 94 HA LEU 14 HA LEU 14 -3.349 -3.433 6.041 95 1HB LEU 14 1HB LEU 14 -4.019 -0.895 5.354 96 2HB LEU 14 2HB LEU 14 -3.666 -1.518 3.757 97 HG LEU 14 HG LEU 14 -5.575 -2.706 5.847 98 1HD1 LEU 14 1HD1 LEU 14 -6.139 -0.866 3.483 99 2HD1 LEU 14 2HD1 LEU 14 -7.367 -1.671 4.482 100 3HD1 LEU 14 3HD1 LEU 14 -6.298 -0.459 5.206 101 1HD2 LEU 14 1HD2 LEU 14 -5.228 -3.184 2.864 102 2HD2 LEU 14 2HD2 LEU 14 -4.891 -4.343 4.187 103 3HD2 LEU 14 3HD2 LEU 14 -6.557 -3.800 3.873 104 H CYS 15 H CYS 15 -0.523 -2.084 4.391 105 HA CYS 15 HA CYS 15 -0.599 -3.931 2.162 106 1HB CYS 15 1HB CYS 15 1.613 -2.263 3.372 107 2HB CYS 15 2HB CYS 15 2.003 -3.579 2.288 108 H GLN 16 H GLN 16 0.238 -4.323 5.550 109 HA GLN 16 HA GLN 16 1.858 -6.695 5.137 110 1HB GLN 16 1HB GLN 16 0.404 -5.755 7.620 111 2HB GLN 16 2HB GLN 16 1.692 -6.962 7.520 112 1HG GLN 16 1HG GLN 16 3.162 -5.151 6.454 113 2HG GLN 16 2HG GLN 16 1.931 -3.984 6.949 114 2HE2 GLN 16 2HE2 GLN 16 4.838 -5.277 7.884 115 1HE2 GLN 16 1HE2 GLN 16 4.672 -5.151 9.640 116 H ASP 17 H ASP 17 -1.559 -6.129 4.890 117 HA ASP 17 HA ASP 17 -2.357 -8.904 5.305 118 1HB ASP 17 1HB ASP 17 -3.688 -6.671 3.698 119 2HB ASP 17 2HB ASP 17 -4.339 -8.266 4.059 120 H CYS 18 H CYS 18 -0.882 -6.975 2.731 121 HA CYS 18 HA CYS 18 -1.865 -8.592 0.527 122 1HB CYS 18 1HB CYS 18 -1.364 -6.264 0.227 123 2HB CYS 18 2HB CYS 18 0.341 -6.496 0.621 124 H GLU 19 H GLU 19 -0.953 -10.174 -0.567 125 HA GLU 19 HA GLU 19 0.832 -11.987 0.472 126 1HB GLU 19 1HB GLU 19 -0.699 -12.415 -1.347 127 2HB GLU 19 2HB GLU 19 0.254 -11.384 -2.397 128 1HG GLU 19 1HG GLU 19 1.620 -13.708 -1.044 129 2HG GLU 19 2HG GLU 19 0.528 -14.036 -2.385 130 H ASN 20 H ASN 20 1.692 -9.614 -2.167 131 HA ASN 20 HA ASN 20 4.508 -10.047 -1.511 132 1HB ASN 20 1HB ASN 20 4.945 -8.897 -3.513 133 2HB ASN 20 2HB ASN 20 3.950 -10.317 -3.784 134 2HD2 ASN 20 2HD2 ASN 20 4.244 -8.541 -5.818 135 1HD2 ASN 20 1HD2 ASN 20 2.715 -7.750 -6.109 136 H THR 21 H THR 21 3.826 -9.070 0.614 137 HA THR 21 HA THR 21 3.086 -6.613 1.188 138 HB THR 21 HB THR 21 5.369 -7.931 2.575 139 HG1 THR 21 HG1 THR 21 2.614 -8.491 2.455 140 1HG2 THR 21 1HG2 THR 21 3.226 -6.002 3.499 141 2HG2 THR 21 2HG2 THR 21 4.261 -6.948 4.600 142 3HG2 THR 21 3HG2 THR 21 4.971 -5.764 3.498 143 HA PRO 22 HA PRO 22 7.143 -4.189 0.871 144 1HB PRO 22 1HB PRO 22 9.281 -5.148 -0.638 145 2HB PRO 22 2HB PRO 22 9.088 -5.447 1.103 146 1HG PRO 22 1HG PRO 22 8.251 -7.266 -1.177 147 2HG PRO 22 2HG PRO 22 9.222 -7.703 0.254 148 1HD PRO 22 1HD PRO 22 6.594 -8.213 0.244 149 2HD PRO 22 2HD PRO 22 7.349 -7.489 1.698 150 H ILE 23 H ILE 23 6.060 -6.129 -1.923 151 HA ILE 23 HA ILE 23 6.681 -4.077 -3.882 152 HB ILE 23 HB ILE 23 4.893 -6.439 -4.003 153 1HG1 ILE 23 1HG1 ILE 23 7.291 -6.963 -3.682 154 2HG1 ILE 23 2HG1 ILE 23 6.648 -7.382 -5.265 155 1HG2 ILE 23 1HG2 ILE 23 5.698 -4.432 -6.130 156 2HG2 ILE 23 2HG2 ILE 23 5.098 -6.066 -6.494 157 3HG2 ILE 23 3HG2 ILE 23 4.069 -4.927 -5.625 158 1HD1 ILE 23 1HD1 ILE 23 7.761 -5.438 -6.291 159 2HD1 ILE 23 2HD1 ILE 23 8.467 -5.031 -4.704 160 3HD1 ILE 23 3HD1 ILE 23 8.887 -6.549 -5.505 161 H CYS 24 H CYS 24 3.949 -5.047 -1.802 162 HA CYS 24 HA CYS 24 2.033 -3.095 -2.709 163 1HB CYS 24 1HB CYS 24 1.457 -5.018 -1.326 164 2HB CYS 24 2HB CYS 24 2.284 -4.339 0.059 165 H GLU 25 H GLU 25 4.416 -3.075 0.002 166 HA GLU 25 HA GLU 25 4.042 -0.484 0.922 167 1HB GLU 25 1HB GLU 25 6.459 -2.273 0.659 168 2HB GLU 25 2HB GLU 25 6.603 -0.797 1.501 169 1HG GLU 25 1HG GLU 25 4.882 -1.506 3.142 170 2HG GLU 25 2HG GLU 25 4.730 -3.052 2.295 171 H LEU 26 H LEU 26 6.121 -1.617 -1.773 172 HA LEU 26 HA LEU 26 7.269 0.952 -2.256 173 1HB LEU 26 1HB LEU 26 8.163 -1.328 -2.957 174 2HB LEU 26 2HB LEU 26 7.012 -1.324 -4.283 175 HG LEU 26 HG LEU 26 8.837 1.075 -3.923 176 1HD1 LEU 26 1HD1 LEU 26 9.721 -1.584 -5.095 177 2HD1 LEU 26 2HD1 LEU 26 10.631 -0.061 -5.187 178 3HD1 LEU 26 3HD1 LEU 26 10.353 -0.830 -3.619 179 1HD2 LEU 26 1HD2 LEU 26 7.135 1.015 -5.800 180 2HD2 LEU 26 2HD2 LEU 26 8.804 1.087 -6.381 181 3HD2 LEU 26 3HD2 LEU 26 7.924 -0.451 -6.408 182 H ALA 27 H ALA 27 4.602 -0.800 -3.870 183 HA ALA 27 HA ALA 27 3.930 1.236 -5.733 184 1HB ALA 27 1HB ALA 27 3.166 -1.070 -5.898 185 2HB ALA 27 2HB ALA 27 1.783 0.034 -5.881 186 3HB ALA 27 3HB ALA 27 2.186 -0.881 -4.416 187 H VAL 28 H VAL 28 2.917 0.699 -2.346 188 HA VAL 28 HA VAL 28 0.958 2.743 -2.292 189 HB VAL 28 HB VAL 28 2.443 1.207 -0.215 190 1HG1 VAL 28 1HG1 VAL 28 0.845 3.730 0.239 191 2HG1 VAL 28 2HG1 VAL 28 0.823 2.433 1.440 192 3HG1 VAL 28 3HG1 VAL 28 2.369 3.145 0.978 193 1HG2 VAL 28 1HG2 VAL 28 -0.451 1.678 -0.903 194 2HG2 VAL 28 2HG2 VAL 28 0.463 0.215 -1.325 195 3HG2 VAL 28 3HG2 VAL 28 0.073 0.596 0.371 196 H LYS 29 H LYS 29 4.482 2.907 -1.181 197 HA LYS 29 HA LYS 29 4.520 5.692 -1.022 198 1HB LYS 29 1HB LYS 29 6.413 3.490 -1.150 199 2HB LYS 29 2HB LYS 29 6.982 4.749 -2.250 200 1HG LYS 29 1HG LYS 29 7.136 6.334 -0.564 201 2HG LYS 29 2HG LYS 29 5.993 5.585 0.472 202 1HD LYS 29 1HD LYS 29 8.114 5.314 1.499 203 2HD LYS 29 2HD LYS 29 7.599 3.723 0.920 204 1HE LYS 29 1HE LYS 29 9.112 3.801 -0.948 205 2HE LYS 29 2HE LYS 29 9.413 5.539 -0.685 206 1HZ LYS 29 1HZ LYS 29 10.216 3.475 1.261 207 2HZ LYS 29 2HZ LYS 29 11.191 4.158 0.087 208 3HZ LYS 29 3HZ LYS 29 10.551 5.096 1.256 209 H GLY 30 H GLY 30 4.609 3.685 -3.938 210 1HA GLY 30 1HA GLY 30 3.991 4.236 -6.082 211 2HA GLY 30 2HA GLY 30 5.041 5.653 -5.906 212 H SER 31 H SER 31 1.941 4.647 -4.355 213 HA SER 31 HA SER 31 0.424 6.540 -5.866 214 1HB SER 31 1HB SER 31 -0.362 4.943 -3.395 215 2HB SER 31 2HB SER 31 -1.466 5.658 -4.583 216 HG SER 31 HG SER 31 -0.903 4.154 -6.039 217 H CYS 32 H CYS 32 1.806 6.680 -2.537 218 HA CYS 32 HA CYS 32 0.733 9.438 -2.355 219 1HB CYS 32 1HB CYS 32 0.397 7.315 -0.269 220 2HB CYS 32 2HB CYS 32 0.112 9.018 0.060 221 HA PRO 33 HA PRO 33 4.897 9.971 -1.348 222 1HB PRO 33 1HB PRO 33 4.925 12.470 -0.184 223 2HB PRO 33 2HB PRO 33 4.549 12.167 -1.915 224 1HG PRO 33 1HG PRO 33 2.573 12.506 0.352 225 2HG PRO 33 2HG PRO 33 2.583 13.344 -1.232 226 1HD PRO 33 1HD PRO 33 1.064 11.162 -0.791 227 2HD PRO 33 2HD PRO 33 1.904 11.385 -2.365 228 HA PRO 34 HA PRO 34 5.026 8.531 2.885 229 1HB PRO 34 1HB PRO 34 7.694 7.989 3.191 230 2HB PRO 34 2HB PRO 34 6.643 7.057 2.101 231 1HG PRO 34 1HG PRO 34 8.428 9.406 1.387 232 2HG PRO 34 2HG PRO 34 8.399 7.819 0.592 233 1HD PRO 34 1HD PRO 34 6.998 9.946 -0.391 234 2HD PRO 34 2HD PRO 34 6.279 8.322 -0.458 235 HA PRO 35 HA PRO 35 5.625 8.237 5.114 236 1HB PRO 35 1HB PRO 35 4.774 9.270 7.479 237 2HB PRO 35 2HB PRO 35 6.483 8.917 7.121 238 1HG PRO 35 1HG PRO 35 5.103 11.600 6.976 239 2HG PRO 35 2HG PRO 35 6.664 11.207 7.737 240 1HD PRO 35 1HD PRO 35 6.447 12.240 5.191 241 2HD PRO 35 2HD PRO 35 7.747 11.100 5.661 242 H TRP 36 H TRP 36 3.282 7.778 5.924 243 HA TRP 36 HA TRP 36 1.574 9.047 3.849 244 1HB TRP 36 1HB TRP 36 1.415 6.459 5.415 245 2HB TRP 36 2HB TRP 36 0.198 6.982 4.257 246 HD1 TRP 36 HD1 TRP 36 0.587 6.339 1.832 247 HE1 TRP 36 HE1 TRP 36 2.446 5.276 0.468 248 HE3 TRP 36 HE3 TRP 36 4.209 6.091 5.434 249 HZ2 TRP 36 HZ2 TRP 36 4.893 3.800 1.142 250 HZ3 TRP 36 HZ3 TRP 36 6.329 5.027 5.001 251 HH2 TRP 36 HH2 TRP 36 6.701 3.832 2.881 252 H SER 37 H SER 37 -0.762 9.267 4.420 253 HA SER 37 HA SER 37 -1.198 10.743 6.906 254 1HB SER 37 1HB SER 37 -3.572 10.641 5.872 255 2HB SER 37 2HB SER 37 -2.338 11.563 4.995 256 HG SER 37 HG SER 37 -2.936 8.827 4.562 No H/Q in entry = 256 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 -9.484 -6.761 -4.042 2 H2 ASP 1 H2 ASP 1 -8.429 -6.315 -5.206 3 H3 ASP 1 H3 ASP 1 -9.100 -7.841 -5.213 4 HA ASP 1 HA ASP 1 -8.176 -8.436 -3.176 5 1HB ASP 1 1HB ASP 1 -5.932 -8.885 -3.758 6 2HB ASP 1 2HB ASP 1 -6.855 -8.959 -5.258 7 H ILE 2 H ILE 2 -6.604 -7.983 -1.484 8 HA ILE 2 HA ILE 2 -7.187 -5.392 -0.362 9 HB ILE 2 HB ILE 2 -7.127 -7.629 0.699 10 1HG1 ILE 2 1HG1 ILE 2 -6.086 -7.066 2.847 11 2HG1 ILE 2 2HG1 ILE 2 -5.414 -5.579 2.160 12 1HG2 ILE 2 1HG2 ILE 2 -4.927 -8.411 -0.294 13 2HG2 ILE 2 2HG2 ILE 2 -4.108 -7.310 0.840 14 3HG2 ILE 2 3HG2 ILE 2 -5.071 -8.658 1.444 15 1HD1 ILE 2 1HD1 ILE 2 -8.388 -6.290 2.243 16 2HD1 ILE 2 2HD1 ILE 2 -7.557 -5.419 3.547 17 3HD1 ILE 2 3HD1 ILE 2 -7.656 -4.689 1.942 18 H CYS 3 H CYS 3 -4.611 -6.562 -2.322 19 HA CYS 3 HA CYS 3 -2.480 -4.819 -1.284 20 1HB CYS 3 1HB CYS 3 -2.659 -6.904 -3.274 21 2HB CYS 3 2HB CYS 3 -2.350 -5.406 -4.154 22 H ASP 4 H ASP 4 -4.902 -4.835 -3.812 23 HA ASP 4 HA ASP 4 -4.525 -2.178 -4.849 24 1HB ASP 4 1HB ASP 4 -5.912 -3.410 -6.194 25 2HB ASP 4 2HB ASP 4 -6.712 -4.222 -4.871 26 H ILE 5 H ILE 5 -6.639 -3.445 -2.290 27 HA ILE 5 HA ILE 5 -7.707 -0.973 -1.463 28 HB ILE 5 HB ILE 5 -7.018 -3.359 0.287 29 1HG1 ILE 5 1HG1 ILE 5 -9.437 -2.501 -1.306 30 2HG1 ILE 5 2HG1 ILE 5 -8.494 -3.924 -1.577 31 1HG2 ILE 5 1HG2 ILE 5 -7.397 -1.398 1.682 32 2HG2 ILE 5 2HG2 ILE 5 -8.959 -1.120 0.862 33 3HG2 ILE 5 3HG2 ILE 5 -8.685 -2.573 1.852 34 1HD1 ILE 5 1HD1 ILE 5 -9.346 -4.895 0.553 35 2HD1 ILE 5 2HD1 ILE 5 -10.401 -3.466 0.719 36 3HD1 ILE 5 3HD1 ILE 5 -10.587 -4.560 -0.651 37 H ALA 6 H ALA 6 -4.823 -2.548 -0.009 38 HA ALA 6 HA ALA 6 -4.110 -0.432 1.720 39 1HB ALA 6 1HB ALA 6 -1.857 -1.533 1.666 40 2HB ALA 6 2HB ALA 6 -3.115 -2.786 1.718 41 3HB ALA 6 3HB ALA 6 -2.318 -2.408 0.192 42 H ILE 7 H ILE 7 -3.171 -0.990 -1.631 43 HA ILE 7 HA ILE 7 -1.469 1.275 -1.957 44 HB ILE 7 HB ILE 7 -3.074 -0.428 -3.855 45 1HG1 ILE 7 1HG1 ILE 7 -0.072 -0.251 -3.314 46 2HG1 ILE 7 2HG1 ILE 7 -1.094 -1.373 -2.445 47 1HG2 ILE 7 1HG2 ILE 7 -2.614 1.811 -4.871 48 2HG2 ILE 7 2HG2 ILE 7 -0.870 1.521 -4.614 49 3HG2 ILE 7 3HG2 ILE 7 -1.805 0.485 -5.691 50 1HD1 ILE 7 1HD1 ILE 7 -1.829 -2.374 -4.630 51 2HD1 ILE 7 2HD1 ILE 7 -0.589 -1.391 -5.437 52 3HD1 ILE 7 3HD1 ILE 7 -0.119 -2.588 -4.214 53 H ALA 8 H ALA 8 -4.991 0.868 -2.573 54 HA ALA 8 HA ALA 8 -5.447 3.513 -3.487 55 1HB ALA 8 1HB ALA 8 -6.965 1.575 -3.873 56 2HB ALA 8 2HB ALA 8 -7.363 1.557 -2.142 57 3HB ALA 8 3HB ALA 8 -7.801 2.955 -3.141 58 H GLN 9 H GLN 9 -5.315 2.062 -0.321 59 HA GLN 9 HA GLN 9 -6.350 4.389 1.156 60 1HB GLN 9 1HB GLN 9 -5.320 1.599 1.815 61 2HB GLN 9 2HB GLN 9 -5.617 2.759 3.063 62 1HG GLN 9 1HG GLN 9 -7.966 2.832 1.391 63 2HG GLN 9 2HG GLN 9 -7.518 1.133 1.486 64 2HE2 GLN 9 2HE2 GLN 9 -9.818 1.293 2.547 65 1HE2 GLN 9 1HE2 GLN 9 -9.789 1.474 4.295 66 H CYS 10 H CYS 10 -3.334 3.523 -0.207 67 HA CYS 10 HA CYS 10 -1.270 3.716 0.348 68 1HB CYS 10 1HB CYS 10 -1.255 6.419 1.387 69 2HB CYS 10 2HB CYS 10 -0.482 5.679 -0.021 70 H SER 11 H SER 11 -1.879 2.133 2.083 71 HA SER 11 HA SER 11 -0.705 3.124 4.634 72 1HB SER 11 1HB SER 11 -3.067 2.884 5.030 73 2HB SER 11 2HB SER 11 -3.068 1.267 4.313 74 HG SER 11 HG SER 11 -2.928 1.207 6.641 75 H LEU 12 H LEU 12 1.049 2.080 5.162 76 HA LEU 12 HA LEU 12 1.947 -0.346 3.774 77 1HB LEU 12 1HB LEU 12 3.180 1.165 6.093 78 2HB LEU 12 2HB LEU 12 3.904 -0.168 5.187 79 HG LEU 12 HG LEU 12 3.220 2.614 4.094 80 1HD1 LEU 12 1HD1 LEU 12 5.790 1.108 4.719 81 2HD1 LEU 12 2HD1 LEU 12 5.751 2.512 3.677 82 3HD1 LEU 12 3HD1 LEU 12 5.247 2.681 5.374 83 1HD2 LEU 12 1HD2 LEU 12 2.946 0.842 2.300 84 2HD2 LEU 12 2HD2 LEU 12 4.313 1.926 2.011 85 3HD2 LEU 12 3HD2 LEU 12 4.606 0.325 2.677 86 H THR 13 H THR 13 0.473 0.549 6.942 87 HA THR 13 HA THR 13 0.831 -2.040 8.068 88 HB THR 13 HB THR 13 -1.536 -0.188 8.563 89 HG1 THR 13 HG1 THR 13 -0.229 1.135 9.508 90 1HG2 THR 13 1HG2 THR 13 -0.022 -2.121 10.388 91 2HG2 THR 13 2HG2 THR 13 -1.351 -1.054 10.885 92 3HG2 THR 13 3HG2 THR 13 -1.653 -2.370 9.742 93 H LEU 14 H LEU 14 -1.812 -0.703 6.073 94 HA LEU 14 HA LEU 14 -3.363 -3.103 6.031 95 1HB LEU 14 1HB LEU 14 -3.765 -0.580 5.289 96 2HB LEU 14 2HB LEU 14 -3.376 -1.204 3.695 97 HG LEU 14 HG LEU 14 -5.526 -2.164 5.668 98 1HD1 LEU 14 1HD1 LEU 14 -5.757 -0.272 3.294 99 2HD1 LEU 14 2HD1 LEU 14 -7.103 -0.911 4.244 100 3HD1 LEU 14 3HD1 LEU 14 -5.927 0.164 5.007 101 1HD2 LEU 14 1HD2 LEU 14 -5.149 -2.709 2.713 102 2HD2 LEU 14 2HD2 LEU 14 -4.943 -3.878 4.049 103 3HD2 LEU 14 3HD2 LEU 14 -6.546 -3.197 3.701 104 H CYS 15 H CYS 15 -0.425 -2.122 4.293 105 HA CYS 15 HA CYS 15 -0.706 -4.057 2.172 106 1HB CYS 15 1HB CYS 15 1.700 -2.575 3.261 107 2HB CYS 15 2HB CYS 15 1.895 -3.927 2.184 108 H GLN 16 H GLN 16 0.120 -4.410 5.563 109 HA GLN 16 HA GLN 16 1.486 -6.949 5.205 110 1HB GLN 16 1HB GLN 16 0.174 -5.814 7.697 111 2HB GLN 16 2HB GLN 16 1.315 -7.163 7.603 112 1HG GLN 16 1HG GLN 16 3.027 -5.639 6.657 113 2HG GLN 16 2HG GLN 16 1.924 -4.268 6.827 114 2HE2 GLN 16 2HE2 GLN 16 4.589 -4.830 8.072 115 1HE2 GLN 16 1HE2 GLN 16 4.342 -4.617 9.781 116 H ASP 17 H ASP 17 -1.767 -6.139 4.650 117 HA ASP 17 HA ASP 17 -2.724 -8.904 5.188 118 1HB ASP 17 1HB ASP 17 -4.110 -6.438 4.080 119 2HB ASP 17 2HB ASP 17 -4.814 -8.055 4.250 120 H CYS 18 H CYS 18 -1.179 -7.057 2.714 121 HA CYS 18 HA CYS 18 -2.129 -8.827 0.524 122 1HB CYS 18 1HB CYS 18 -1.952 -6.534 -0.051 123 2HB CYS 18 2HB CYS 18 -0.266 -6.442 0.491 124 H GLU 19 H GLU 19 -1.093 -10.554 -0.024 125 HA GLU 19 HA GLU 19 0.822 -11.934 1.236 126 1HB GLU 19 1HB GLU 19 -0.499 -12.701 -0.674 127 2HB GLU 19 2HB GLU 19 0.526 -11.731 -1.728 128 1HG GLU 19 1HG GLU 19 2.507 -13.089 -0.868 129 2HG GLU 19 2HG GLU 19 1.318 -14.126 -0.042 130 H ASN 20 H ASN 20 1.729 -9.968 -1.657 131 HA ASN 20 HA ASN 20 4.523 -10.306 -0.914 132 1HB ASN 20 1HB ASN 20 5.024 -9.711 -3.055 133 2HB ASN 20 2HB ASN 20 3.660 -10.806 -3.164 134 2HD2 ASN 20 2HD2 ASN 20 4.553 -9.220 -5.288 135 1HD2 ASN 20 1HD2 ASN 20 3.364 -7.982 -5.663 136 H THR 21 H THR 21 3.653 -8.942 1.022 137 HA THR 21 HA THR 21 3.059 -6.425 1.184 138 HB THR 21 HB THR 21 5.238 -7.509 2.896 139 HG1 THR 21 HG1 THR 21 2.451 -8.075 2.677 140 1HG2 THR 21 1HG2 THR 21 4.649 -5.200 3.408 141 2HG2 THR 21 2HG2 THR 21 2.943 -5.642 3.535 142 3HG2 THR 21 3HG2 THR 21 4.125 -6.298 4.685 143 HA PRO 22 HA PRO 22 7.244 -4.295 0.730 144 1HB PRO 22 1HB PRO 22 9.245 -5.550 -0.876 145 2HB PRO 22 2HB PRO 22 9.211 -5.525 0.897 146 1HG PRO 22 1HG PRO 22 8.172 -7.685 -0.953 147 2HG PRO 22 2HG PRO 22 9.134 -7.895 0.526 148 1HD PRO 22 1HD PRO 22 6.506 -8.291 0.573 149 2HD PRO 22 2HD PRO 22 7.281 -7.407 1.911 150 H ILE 23 H ILE 23 6.054 -6.248 -1.996 151 HA ILE 23 HA ILE 23 6.582 -4.173 -3.971 152 HB ILE 23 HB ILE 23 5.107 -6.760 -3.873 153 1HG1 ILE 23 1HG1 ILE 23 6.812 -7.366 -5.561 154 2HG1 ILE 23 2HG1 ILE 23 7.631 -5.820 -5.273 155 1HG2 ILE 23 1HG2 ILE 23 5.261 -4.720 -6.099 156 2HG2 ILE 23 2HG2 ILE 23 4.984 -6.457 -6.383 157 3HG2 ILE 23 3HG2 ILE 23 3.836 -5.543 -5.420 158 1HD1 ILE 23 1HD1 ILE 23 7.188 -7.958 -3.148 159 2HD1 ILE 23 2HD1 ILE 23 8.619 -7.878 -4.192 160 3HD1 ILE 23 3HD1 ILE 23 8.304 -6.557 -3.076 161 H CYS 24 H CYS 24 3.966 -5.197 -1.812 162 HA CYS 24 HA CYS 24 1.972 -3.324 -2.753 163 1HB CYS 24 1HB CYS 24 1.509 -5.264 -1.300 164 2HB CYS 24 2HB CYS 24 2.319 -4.477 0.031 165 H GLU 25 H GLU 25 4.563 -3.173 -0.289 166 HA GLU 25 HA GLU 25 4.039 -0.658 0.783 167 1HB GLU 25 1HB GLU 25 6.496 -2.363 0.354 168 2HB GLU 25 2HB GLU 25 6.642 -0.893 1.209 169 1HG GLU 25 1HG GLU 25 5.057 -1.750 2.969 170 2HG GLU 25 2HG GLU 25 4.940 -3.261 2.094 171 H LEU 26 H LEU 26 6.157 -1.694 -1.896 172 HA LEU 26 HA LEU 26 7.181 0.851 -2.599 173 1HB LEU 26 1HB LEU 26 8.063 -1.317 -3.382 174 2HB LEU 26 2HB LEU 26 6.630 -1.586 -4.363 175 HG LEU 26 HG LEU 26 7.918 1.053 -4.844 176 1HD1 LEU 26 1HD1 LEU 26 9.950 -0.334 -4.429 177 2HD1 LEU 26 2HD1 LEU 26 9.423 -1.442 -5.681 178 3HD1 LEU 26 3HD1 LEU 26 9.812 0.238 -6.099 179 1HD2 LEU 26 1HD2 LEU 26 6.064 0.102 -6.238 180 2HD2 LEU 26 2HD2 LEU 26 7.521 0.435 -7.176 181 3HD2 LEU 26 3HD2 LEU 26 7.131 -1.232 -6.708 182 H ALA 27 H ALA 27 4.316 -0.940 -3.853 183 HA ALA 27 HA ALA 27 3.460 1.102 -5.631 184 1HB ALA 27 1HB ALA 27 1.880 -1.050 -4.187 185 2HB ALA 27 2HB ALA 27 1.272 -0.034 -5.520 186 3HB ALA 27 3HB ALA 27 2.622 -1.151 -5.796 187 H VAL 28 H VAL 28 2.706 0.597 -2.157 188 HA VAL 28 HA VAL 28 0.869 2.715 -1.906 189 HB VAL 28 HB VAL 28 2.603 1.211 -0.012 190 1HG1 VAL 28 1HG1 VAL 28 1.035 3.720 0.660 191 2HG1 VAL 28 2HG1 VAL 28 1.323 2.455 1.868 192 3HG1 VAL 28 3HG1 VAL 28 2.695 3.247 1.111 193 1HG2 VAL 28 1HG2 VAL 28 0.454 0.249 -0.842 194 2HG2 VAL 28 2HG2 VAL 28 0.431 0.551 0.912 195 3HG2 VAL 28 3HG2 VAL 28 -0.382 1.673 -0.163 196 H LYS 29 H LYS 29 4.499 2.830 -1.350 197 HA LYS 29 HA LYS 29 4.684 5.584 -1.181 198 1HB LYS 29 1HB LYS 29 6.485 3.401 -1.460 199 2HB LYS 29 2HB LYS 29 6.798 4.394 -2.862 200 1HG LYS 29 1HG LYS 29 6.718 6.349 -1.021 201 2HG LYS 29 2HG LYS 29 7.162 5.047 0.044 202 1HD LYS 29 1HD LYS 29 8.754 5.679 -2.462 203 2HD LYS 29 2HD LYS 29 9.126 6.357 -0.870 204 1HE LYS 29 1HE LYS 29 9.024 3.414 -1.544 205 2HE LYS 29 2HE LYS 29 10.505 4.381 -1.380 206 1HZ LYS 29 1HZ LYS 29 9.567 4.801 0.981 207 2HZ LYS 29 2HZ LYS 29 8.657 3.417 0.653 208 3HZ LYS 29 3HZ LYS 29 10.292 3.405 0.648 209 H GLY 30 H GLY 30 3.255 4.158 -3.857 210 1HA GLY 30 1HA GLY 30 3.503 4.859 -6.158 211 2HA GLY 30 2HA GLY 30 3.837 6.506 -5.602 212 H SER 31 H SER 31 1.550 5.300 -3.472 213 HA SER 31 HA SER 31 -0.789 6.242 -5.095 214 1HB SER 31 1HB SER 31 -0.614 4.938 -2.354 215 2HB SER 31 2HB SER 31 -2.098 5.469 -3.157 216 HG SER 31 HG SER 31 -1.560 3.255 -3.460 217 H CYS 32 H CYS 32 1.149 6.858 -2.161 218 HA CYS 32 HA CYS 32 0.072 9.627 -2.084 219 1HB CYS 32 1HB CYS 32 0.471 7.752 0.248 220 2HB CYS 32 2HB CYS 32 0.505 9.482 0.430 221 HA PRO 33 HA PRO 33 4.507 10.267 -1.894 222 1HB PRO 33 1HB PRO 33 4.535 12.821 -0.777 223 2HB PRO 33 2HB PRO 33 4.270 12.458 -2.506 224 1HG PRO 33 1HG PRO 33 2.251 13.090 -0.366 225 2HG PRO 33 2HG PRO 33 2.263 13.616 -2.066 226 1HD PRO 33 1HD PRO 33 0.775 11.520 -1.040 227 2HD PRO 33 2HD PRO 33 1.279 11.606 -2.757 228 HA PRO 34 HA PRO 34 4.678 8.963 2.491 229 1HB PRO 34 1HB PRO 34 7.414 8.587 2.724 230 2HB PRO 34 2HB PRO 34 6.359 7.437 1.863 231 1HG PRO 34 1HG PRO 34 7.933 9.720 0.680 232 2HG PRO 34 2HG PRO 34 7.958 8.017 0.167 233 1HD PRO 34 1HD PRO 34 6.454 9.855 -1.086 234 2HD PRO 34 2HD PRO 34 5.707 8.267 -0.766 235 HA PRO 35 HA PRO 35 5.693 9.007 4.769 236 1HB PRO 35 1HB PRO 35 5.076 10.179 7.145 237 2HB PRO 35 2HB PRO 35 6.725 10.182 6.473 238 1HG PRO 35 1HG PRO 35 4.721 12.438 6.406 239 2HG PRO 35 2HG PRO 35 6.471 12.505 6.720 240 1HD PRO 35 1HD PRO 35 5.195 12.984 4.254 241 2HD PRO 35 2HD PRO 35 6.910 12.545 4.425 242 H TRP 36 H TRP 36 3.895 7.794 4.925 243 HA TRP 36 HA TRP 36 1.391 8.773 3.961 244 1HB TRP 36 1HB TRP 36 2.109 6.112 5.259 245 2HB TRP 36 2HB TRP 36 0.679 6.452 4.294 246 HD1 TRP 36 HD1 TRP 36 0.928 6.337 1.763 247 HE1 TRP 36 HE1 TRP 36 2.742 5.539 0.149 248 HE3 TRP 36 HE3 TRP 36 4.815 6.083 5.068 249 HZ2 TRP 36 HZ2 TRP 36 5.296 4.128 0.579 250 HZ3 TRP 36 HZ3 TRP 36 6.941 5.090 4.424 251 HH2 TRP 36 HH2 TRP 36 7.202 4.065 2.201 252 H SER 37 H SER 37 -0.113 9.756 5.142 253 HA SER 37 HA SER 37 -1.669 10.133 6.647 254 1HB SER 37 1HB SER 37 -0.714 7.776 8.316 255 2HB SER 37 2HB SER 37 -2.239 8.619 8.442 256 HG SER 37 HG SER 37 -2.935 7.819 6.558 No H/Q in entry = 256 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 -8.081 -5.469 -4.641 2 H2 ASP 1 H2 ASP 1 -7.057 -6.280 -5.641 3 H3 ASP 1 H3 ASP 1 -8.653 -6.711 -5.574 4 HA ASP 1 HA ASP 1 -8.456 -7.793 -3.612 5 1HB ASP 1 1HB ASP 1 -6.580 -9.160 -3.697 6 2HB ASP 1 2HB ASP 1 -6.575 -8.581 -5.360 7 H ILE 2 H ILE 2 -6.756 -8.035 -1.557 8 HA ILE 2 HA ILE 2 -7.024 -5.612 -0.161 9 HB ILE 2 HB ILE 2 -6.895 -7.953 0.648 10 1HG1 ILE 2 1HG1 ILE 2 -7.125 -6.758 2.425 11 2HG1 ILE 2 2HG1 ILE 2 -5.640 -7.623 2.767 12 1HG2 ILE 2 1HG2 ILE 2 -4.601 -8.537 -0.436 13 2HG2 ILE 2 2HG2 ILE 2 -3.909 -7.578 0.900 14 3HG2 ILE 2 3HG2 ILE 2 -4.822 -9.044 1.252 15 1HD1 ILE 2 1HD1 ILE 2 -4.365 -5.577 2.085 16 2HD1 ILE 2 2HD1 ILE 2 -5.949 -4.738 1.965 17 3HD1 ILE 2 3HD1 ILE 2 -5.420 -5.405 3.515 18 H CYS 3 H CYS 3 -4.146 -6.857 -2.041 19 HA CYS 3 HA CYS 3 -2.314 -4.817 -1.161 20 1HB CYS 3 1HB CYS 3 -2.646 -6.524 -3.638 21 2HB CYS 3 2HB CYS 3 -1.816 -4.994 -3.819 22 H ASP 4 H ASP 4 -4.863 -4.921 -3.667 23 HA ASP 4 HA ASP 4 -4.332 -2.240 -4.580 24 1HB ASP 4 1HB ASP 4 -5.571 -3.952 -5.943 25 2HB ASP 4 2HB ASP 4 -6.942 -3.747 -4.831 26 H ILE 5 H ILE 5 -6.483 -3.605 -2.115 27 HA ILE 5 HA ILE 5 -7.882 -1.242 -1.421 28 HB ILE 5 HB ILE 5 -6.995 -3.515 0.390 29 1HG1 ILE 5 1HG1 ILE 5 -9.564 -2.965 -1.113 30 2HG1 ILE 5 2HG1 ILE 5 -8.473 -4.256 -1.435 31 1HG2 ILE 5 1HG2 ILE 5 -7.538 -1.466 1.660 32 2HG2 ILE 5 2HG2 ILE 5 -9.164 -1.507 0.928 33 3HG2 ILE 5 3HG2 ILE 5 -8.590 -2.823 1.992 34 1HD1 ILE 5 1HD1 ILE 5 -8.986 -5.175 0.880 35 2HD1 ILE 5 2HD1 ILE 5 -10.226 -3.907 1.013 36 3HD1 ILE 5 3HD1 ILE 5 -10.363 -5.124 -0.252 37 H ALA 6 H ALA 6 -4.849 -2.589 -0.058 38 HA ALA 6 HA ALA 6 -4.309 -0.494 1.786 39 1HB ALA 6 1HB ALA 6 -2.002 -1.511 1.737 40 2HB ALA 6 2HB ALA 6 -3.253 -2.775 1.827 41 3HB ALA 6 3HB ALA 6 -2.471 -2.429 0.291 42 H ILE 7 H ILE 7 -3.347 -0.971 -1.602 43 HA ILE 7 HA ILE 7 -1.776 1.394 -1.858 44 HB ILE 7 HB ILE 7 -3.249 -0.339 -3.840 45 1HG1 ILE 7 1HG1 ILE 7 -0.258 0.048 -3.373 46 2HG1 ILE 7 2HG1 ILE 7 -1.173 -1.150 -2.470 47 1HG2 ILE 7 1HG2 ILE 7 -1.384 2.001 -4.331 48 2HG2 ILE 7 2HG2 ILE 7 -1.876 0.849 -5.587 49 3HG2 ILE 7 3HG2 ILE 7 -3.090 1.881 -4.829 50 1HD1 ILE 7 1HD1 ILE 7 -1.896 -2.220 -4.602 51 2HD1 ILE 7 2HD1 ILE 7 -0.822 -1.112 -5.483 52 3HD1 ILE 7 3HD1 ILE 7 -0.145 -2.260 -4.318 53 H ALA 8 H ALA 8 -5.269 0.796 -2.465 54 HA ALA 8 HA ALA 8 -5.847 3.456 -3.312 55 1HB ALA 8 1HB ALA 8 -7.278 1.501 -3.775 56 2HB ALA 8 2HB ALA 8 -7.649 1.344 -2.049 57 3HB ALA 8 3HB ALA 8 -8.175 2.782 -2.946 58 H GLN 9 H GLN 9 -5.656 1.912 -0.157 59 HA GLN 9 HA GLN 9 -6.653 4.230 1.374 60 1HB GLN 9 1HB GLN 9 -5.593 1.451 2.032 61 2HB GLN 9 2HB GLN 9 -5.764 2.660 3.266 62 1HG GLN 9 1HG GLN 9 -8.225 2.931 2.495 63 2HG GLN 9 2HG GLN 9 -7.960 1.472 1.535 64 2HE2 GLN 9 2HE2 GLN 9 -8.998 -0.198 2.650 65 1HE2 GLN 9 1HE2 GLN 9 -8.809 -0.504 4.361 66 H CYS 10 H CYS 10 -3.832 3.466 -0.214 67 HA CYS 10 HA CYS 10 -1.661 3.397 0.180 68 1HB CYS 10 1HB CYS 10 -0.638 5.696 0.390 69 2HB CYS 10 2HB CYS 10 -1.602 5.276 -1.002 70 H SER 11 H SER 11 -1.981 2.172 2.109 71 HA SER 11 HA SER 11 -0.852 3.482 4.545 72 1HB SER 11 1HB SER 11 -3.266 3.282 4.879 73 2HB SER 11 2HB SER 11 -3.217 1.556 4.473 74 HG SER 11 HG SER 11 -1.540 2.537 6.524 75 H LEU 12 H LEU 12 1.011 2.465 4.980 76 HA LEU 12 HA LEU 12 1.823 0.065 3.595 77 1HB LEU 12 1HB LEU 12 3.015 1.433 6.030 78 2HB LEU 12 2HB LEU 12 3.756 0.131 5.091 79 HG LEU 12 HG LEU 12 3.127 2.953 4.071 80 1HD1 LEU 12 1HD1 LEU 12 5.608 1.412 4.898 81 2HD1 LEU 12 2HD1 LEU 12 5.715 2.777 3.813 82 3HD1 LEU 12 3HD1 LEU 12 5.048 3.022 5.450 83 1HD2 LEU 12 1HD2 LEU 12 2.972 1.211 2.225 84 2HD2 LEU 12 2HD2 LEU 12 4.313 2.338 2.034 85 3HD2 LEU 12 3HD2 LEU 12 4.630 0.728 2.667 86 H THR 13 H THR 13 0.521 0.725 6.872 87 HA THR 13 HA THR 13 1.087 -1.792 7.936 88 HB THR 13 HB THR 13 -1.422 -0.156 8.479 89 HG1 THR 13 HG1 THR 13 1.294 0.279 9.023 90 1HG2 THR 13 1HG2 THR 13 -1.094 -2.413 9.623 91 2HG2 THR 13 2HG2 THR 13 0.326 -1.747 10.424 92 3HG2 THR 13 3HG2 THR 13 -1.295 -1.059 10.710 93 H LEU 14 H LEU 14 -1.814 -0.886 5.948 94 HA LEU 14 HA LEU 14 -3.003 -3.385 6.252 95 1HB LEU 14 1HB LEU 14 -3.840 -0.965 5.448 96 2HB LEU 14 2HB LEU 14 -3.428 -1.589 3.862 97 HG LEU 14 HG LEU 14 -4.676 -3.693 4.720 98 1HD1 LEU 14 1HD1 LEU 14 -5.057 -2.811 6.981 99 2HD1 LEU 14 2HD1 LEU 14 -5.982 -1.458 6.289 100 3HD1 LEU 14 3HD1 LEU 14 -6.595 -3.125 6.153 101 1HD2 LEU 14 1HD2 LEU 14 -6.076 -1.154 3.760 102 2HD2 LEU 14 2HD2 LEU 14 -5.437 -2.467 2.744 103 3HD2 LEU 14 3HD2 LEU 14 -6.846 -2.757 3.772 104 H CYS 15 H CYS 15 -0.280 -2.393 4.267 105 HA CYS 15 HA CYS 15 -0.535 -4.298 2.141 106 1HB CYS 15 1HB CYS 15 2.010 -3.211 3.446 107 2HB CYS 15 2HB CYS 15 1.939 -4.181 2.010 108 H GLN 16 H GLN 16 0.405 -4.587 5.514 109 HA GLN 16 HA GLN 16 1.899 -6.976 5.462 110 1HB GLN 16 1HB GLN 16 -0.110 -5.980 7.464 111 2HB GLN 16 2HB GLN 16 1.095 -7.213 7.805 112 1HG GLN 16 1HG GLN 16 2.034 -4.476 6.815 113 2HG GLN 16 2HG GLN 16 1.553 -4.691 8.494 114 2HE2 GLN 16 2HE2 GLN 16 2.563 -6.476 9.707 115 1HE2 GLN 16 1HE2 GLN 16 4.243 -6.900 9.343 116 H ASP 17 H ASP 17 -1.611 -6.492 5.053 117 HA ASP 17 HA ASP 17 -2.297 -9.288 5.560 118 1HB ASP 17 1HB ASP 17 -3.697 -6.972 4.121 119 2HB ASP 17 2HB ASP 17 -4.320 -8.609 4.139 120 H CYS 18 H CYS 18 -1.170 -7.345 2.811 121 HA CYS 18 HA CYS 18 -2.282 -9.148 0.840 122 1HB CYS 18 1HB CYS 18 -1.898 -6.755 0.292 123 2HB CYS 18 2HB CYS 18 -0.153 -7.034 0.435 124 H GLU 19 H GLU 19 -1.251 -10.824 -0.113 125 HA GLU 19 HA GLU 19 0.810 -12.377 0.445 126 1HB GLU 19 1HB GLU 19 -0.541 -12.819 -1.395 127 2HB GLU 19 2HB GLU 19 -0.174 -11.261 -2.138 128 1HG GLU 19 1HG GLU 19 0.831 -12.886 -3.471 129 2HG GLU 19 2HG GLU 19 2.144 -12.099 -2.633 130 H ASN 20 H ASN 20 1.402 -9.589 -1.844 131 HA ASN 20 HA ASN 20 4.268 -9.861 -1.232 132 1HB ASN 20 1HB ASN 20 4.590 -8.706 -3.250 133 2HB ASN 20 2HB ASN 20 3.752 -10.222 -3.456 134 2HD2 ASN 20 2HD2 ASN 20 2.660 -9.936 -5.332 135 1HD2 ASN 20 1HD2 ASN 20 1.576 -8.603 -5.695 136 H THR 21 H THR 21 3.308 -8.869 0.903 137 HA THR 21 HA THR 21 2.713 -6.375 1.435 138 HB THR 21 HB THR 21 4.931 -7.873 2.750 139 HG1 THR 21 HG1 THR 21 2.122 -8.038 2.798 140 1HG2 THR 21 1HG2 THR 21 3.136 -5.670 3.840 141 2HG2 THR 21 2HG2 THR 21 4.123 -6.764 4.821 142 3HG2 THR 21 3HG2 THR 21 4.900 -5.641 3.702 143 HA PRO 22 HA PRO 22 6.899 -4.195 0.843 144 1HB PRO 22 1HB PRO 22 8.920 -5.350 -0.672 145 2HB PRO 22 2HB PRO 22 8.750 -5.599 1.088 146 1HG PRO 22 1HG PRO 22 7.690 -7.400 -1.113 147 2HG PRO 22 2HG PRO 22 8.695 -7.856 0.290 148 1HD PRO 22 1HD PRO 22 6.071 -8.182 0.439 149 2HD PRO 22 2HD PRO 22 6.936 -7.447 1.821 150 H ILE 23 H ILE 23 5.663 -6.152 -1.880 151 HA ILE 23 HA ILE 23 6.332 -4.192 -3.929 152 HB ILE 23 HB ILE 23 4.537 -6.540 -3.701 153 1HG1 ILE 23 1HG1 ILE 23 7.037 -6.574 -4.303 154 2HG1 ILE 23 2HG1 ILE 23 5.878 -7.492 -5.249 155 1HG2 ILE 23 1HG2 ILE 23 4.311 -4.507 -5.917 156 2HG2 ILE 23 2HG2 ILE 23 3.741 -6.196 -6.025 157 3HG2 ILE 23 3HG2 ILE 23 3.024 -5.105 -4.847 158 1HD1 ILE 23 1HD1 ILE 23 6.955 -4.782 -6.085 159 2HD1 ILE 23 2HD1 ILE 23 7.495 -6.361 -6.705 160 3HD1 ILE 23 3HD1 ILE 23 5.862 -5.816 -7.028 161 H CYS 24 H CYS 24 3.591 -4.929 -1.754 162 HA CYS 24 HA CYS 24 1.883 -2.821 -2.749 163 1HB CYS 24 1HB CYS 24 0.812 -4.461 -1.602 164 2HB CYS 24 2HB CYS 24 1.874 -4.448 -0.209 165 H GLU 25 H GLU 25 4.229 -2.980 -0.033 166 HA GLU 25 HA GLU 25 3.905 -0.397 0.910 167 1HB GLU 25 1HB GLU 25 6.271 -2.268 0.716 168 2HB GLU 25 2HB GLU 25 6.460 -0.806 1.564 169 1HG GLU 25 1HG GLU 25 4.487 -1.436 3.063 170 2HG GLU 25 2HG GLU 25 4.501 -3.012 2.294 171 H LEU 26 H LEU 26 5.926 -1.573 -1.755 172 HA LEU 26 HA LEU 26 7.145 0.925 -2.400 173 1HB LEU 26 1HB LEU 26 7.846 -1.416 -3.099 174 2HB LEU 26 2HB LEU 26 6.524 -1.457 -4.242 175 HG LEU 26 HG LEU 26 8.486 0.838 -4.381 176 1HD1 LEU 26 1HD1 LEU 26 8.960 -1.969 -5.452 177 2HD1 LEU 26 2HD1 LEU 26 9.934 -0.533 -5.847 178 3HD1 LEU 26 3HD1 LEU 26 9.896 -1.144 -4.183 179 1HD2 LEU 26 1HD2 LEU 26 6.903 -0.766 -6.460 180 2HD2 LEU 26 2HD2 LEU 26 6.546 0.891 -5.932 181 3HD2 LEU 26 3HD2 LEU 26 8.015 0.552 -6.848 182 H ALA 27 H ALA 27 4.301 -0.736 -3.789 183 HA ALA 27 HA ALA 27 3.562 1.258 -5.654 184 1HB ALA 27 1HB ALA 27 2.689 -1.027 -5.706 185 2HB ALA 27 2HB ALA 27 1.353 0.138 -5.606 186 3HB ALA 27 3HB ALA 27 1.853 -0.771 -4.160 187 H VAL 28 H VAL 28 2.696 0.844 -2.231 188 HA VAL 28 HA VAL 28 0.821 2.934 -1.990 189 HB VAL 28 HB VAL 28 2.601 1.488 -0.089 190 1HG1 VAL 28 1HG1 VAL 28 0.868 3.896 0.522 191 2HG1 VAL 28 2HG1 VAL 28 1.201 2.663 1.755 192 3HG1 VAL 28 3HG1 VAL 28 2.546 3.528 1.012 193 1HG2 VAL 28 1HG2 VAL 28 0.493 0.400 -0.978 194 2HG2 VAL 28 2HG2 VAL 28 0.520 0.607 0.786 195 3HG2 VAL 28 3HG2 VAL 28 -0.414 1.710 -0.209 196 H LYS 29 H LYS 29 4.440 2.969 -1.252 197 HA LYS 29 HA LYS 29 4.574 5.754 -1.019 198 1HB LYS 29 1HB LYS 29 6.431 3.581 -1.254 199 2HB LYS 29 2HB LYS 29 6.881 4.656 -2.544 200 1HG LYS 29 1HG LYS 29 6.556 6.457 -0.450 201 2HG LYS 29 2HG LYS 29 7.096 5.001 0.344 202 1HD LYS 29 1HD LYS 29 8.866 5.124 -1.837 203 2HD LYS 29 2HD LYS 29 8.606 6.819 -1.427 204 1HE LYS 29 1HE LYS 29 10.442 5.990 -0.083 205 2HE LYS 29 2HE LYS 29 9.044 6.155 1.006 206 1HZ LYS 29 1HZ LYS 29 8.687 3.688 0.647 207 2HZ LYS 29 2HZ LYS 29 10.011 3.705 -0.292 208 3HZ LYS 29 3HZ LYS 29 10.151 4.004 1.293 209 H GLY 30 H GLY 30 4.549 3.806 -3.991 210 1HA GLY 30 1HA GLY 30 4.126 4.388 -6.168 211 2HA GLY 30 2HA GLY 30 5.060 5.864 -5.881 212 H SER 31 H SER 31 2.093 4.884 -4.187 213 HA SER 31 HA SER 31 0.352 6.488 -5.866 214 1HB SER 31 1HB SER 31 -0.176 4.934 -3.302 215 2HB SER 31 2HB SER 31 -1.398 5.649 -4.361 216 HG SER 31 HG SER 31 0.550 3.683 -5.091 217 H CYS 32 H CYS 32 1.783 6.897 -2.569 218 HA CYS 32 HA CYS 32 0.524 9.599 -2.480 219 1HB CYS 32 1HB CYS 32 0.304 7.449 -0.380 220 2HB CYS 32 2HB CYS 32 -0.118 9.118 -0.067 221 HA PRO 33 HA PRO 33 4.473 10.650 -1.212 222 1HB PRO 33 1HB PRO 33 4.122 12.874 0.397 223 2HB PRO 33 2HB PRO 33 3.858 12.855 -1.371 224 1HG PRO 33 1HG PRO 33 1.769 12.479 0.787 225 2HG PRO 33 2HG PRO 33 1.712 13.608 -0.600 226 1HD PRO 33 1HD PRO 33 0.482 11.233 -0.745 227 2HD PRO 33 2HD PRO 33 1.425 11.814 -2.150 228 HA PRO 34 HA PRO 34 4.899 8.892 2.987 229 1HB PRO 34 1HB PRO 34 7.622 8.560 3.027 230 2HB PRO 34 2HB PRO 34 6.533 7.482 2.125 231 1HG PRO 34 1HG PRO 34 8.106 9.818 1.055 232 2HG PRO 34 2HG PRO 34 7.998 8.182 0.376 233 1HD PRO 34 1HD PRO 34 6.491 10.312 -0.467 234 2HD PRO 34 2HD PRO 34 5.866 8.645 -0.569 235 HA PRO 35 HA PRO 35 5.713 8.963 5.154 236 1HB PRO 35 1HB PRO 35 4.986 10.250 7.484 237 2HB PRO 35 2HB PRO 35 6.679 9.973 7.027 238 1HG PRO 35 1HG PRO 35 5.071 12.485 6.687 239 2HG PRO 35 2HG PRO 35 6.752 12.311 7.256 240 1HD PRO 35 1HD PRO 35 6.025 12.999 4.676 241 2HD PRO 35 2HD PRO 35 7.530 12.110 5.035 242 H TRP 36 H TRP 36 3.735 8.027 5.438 243 HA TRP 36 HA TRP 36 1.306 9.317 4.443 244 1HB TRP 36 1HB TRP 36 1.725 6.526 5.584 245 2HB TRP 36 2HB TRP 36 0.387 7.077 4.582 246 HD1 TRP 36 HD1 TRP 36 0.623 6.537 2.056 247 HE1 TRP 36 HE1 TRP 36 2.455 5.761 0.511 248 HE3 TRP 36 HE3 TRP 36 4.530 6.337 5.416 249 HZ2 TRP 36 HZ2 TRP 36 5.050 4.539 0.866 250 HZ3 TRP 36 HZ3 TRP 36 6.680 5.438 4.737 251 HH2 TRP 36 HH2 TRP 36 6.964 4.463 2.493 252 H SER 37 H SER 37 2.089 10.719 6.588 253 HA SER 37 HA SER 37 1.922 11.281 8.748 254 1HB SER 37 1HB SER 37 -0.345 9.378 9.213 255 2HB SER 37 2HB SER 37 0.063 10.935 9.999 256 HG SER 37 HG SER 37 -0.710 10.741 7.288 No H/Q in entry = 256 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 -8.457 -5.664 -5.339 2 H2 ASP 1 H2 ASP 1 -7.047 -6.437 -5.600 3 H3 ASP 1 H3 ASP 1 -8.501 -7.204 -5.944 4 HA ASP 1 HA ASP 1 -9.086 -7.269 -3.683 5 1HB ASP 1 1HB ASP 1 -7.686 -9.044 -2.969 6 2HB ASP 1 2HB ASP 1 -7.742 -9.094 -4.737 7 H ILE 2 H ILE 2 -7.479 -7.621 -1.532 8 HA ILE 2 HA ILE 2 -7.446 -5.135 -0.333 9 HB ILE 2 HB ILE 2 -7.432 -7.350 0.749 10 1HG1 ILE 2 1HG1 ILE 2 -6.017 -6.984 2.632 11 2HG1 ILE 2 2HG1 ILE 2 -5.122 -5.695 1.829 12 1HG2 ILE 2 1HG2 ILE 2 -5.656 -8.481 -0.614 13 2HG2 ILE 2 2HG2 ILE 2 -4.434 -7.497 0.229 14 3HG2 ILE 2 3HG2 ILE 2 -5.422 -8.642 1.131 15 1HD1 ILE 2 1HD1 ILE 2 -8.160 -5.598 2.149 16 2HD1 ILE 2 2HD1 ILE 2 -7.108 -5.179 3.497 17 3HD1 ILE 2 3HD1 ILE 2 -7.010 -4.238 2.006 18 H CYS 3 H CYS 3 -4.851 -6.526 -2.288 19 HA CYS 3 HA CYS 3 -2.787 -4.761 -1.285 20 1HB CYS 3 1HB CYS 3 -2.838 -6.861 -3.096 21 2HB CYS 3 2HB CYS 3 -2.786 -5.489 -4.203 22 H ASP 4 H ASP 4 -5.248 -4.496 -3.815 23 HA ASP 4 HA ASP 4 -4.511 -1.931 -4.896 24 1HB ASP 4 1HB ASP 4 -6.100 -3.678 -5.879 25 2HB ASP 4 2HB ASP 4 -7.293 -3.150 -4.675 26 H ILE 5 H ILE 5 -6.707 -3.081 -2.367 27 HA ILE 5 HA ILE 5 -7.799 -0.624 -1.566 28 HB ILE 5 HB ILE 5 -7.212 -3.031 0.190 29 1HG1 ILE 5 1HG1 ILE 5 -9.582 -2.228 -1.483 30 2HG1 ILE 5 2HG1 ILE 5 -8.557 -3.597 -1.780 31 1HG2 ILE 5 1HG2 ILE 5 -7.666 -1.034 1.534 32 2HG2 ILE 5 2HG2 ILE 5 -9.194 -0.802 0.642 33 3HG2 ILE 5 3HG2 ILE 5 -8.938 -2.228 1.679 34 1HD1 ILE 5 1HD1 ILE 5 -9.386 -4.546 0.461 35 2HD1 ILE 5 2HD1 ILE 5 -10.547 -3.212 0.486 36 3HD1 ILE 5 3HD1 ILE 5 -10.600 -4.399 -0.827 37 H ALA 6 H ALA 6 -5.055 -2.356 -0.003 38 HA ALA 6 HA ALA 6 -4.283 -0.376 1.821 39 1HB ALA 6 1HB ALA 6 -3.420 -2.747 1.744 40 2HB ALA 6 2HB ALA 6 -2.076 -1.585 1.757 41 3HB ALA 6 3HB ALA 6 -2.556 -2.385 0.248 42 H ILE 7 H ILE 7 -3.179 -0.886 -1.550 43 HA ILE 7 HA ILE 7 -1.408 1.296 -1.759 44 HB ILE 7 HB ILE 7 -3.087 -0.150 -3.804 45 1HG1 ILE 7 1HG1 ILE 7 -0.086 -0.198 -3.282 46 2HG1 ILE 7 2HG1 ILE 7 -1.156 -1.296 -2.444 47 1HG2 ILE 7 1HG2 ILE 7 -2.508 2.140 -4.648 48 2HG2 ILE 7 2HG2 ILE 7 -0.814 1.812 -4.214 49 3HG2 ILE 7 3HG2 ILE 7 -1.611 0.893 -5.507 50 1HD1 ILE 7 1HD1 ILE 7 -1.982 -2.180 -4.632 51 2HD1 ILE 7 2HD1 ILE 7 -0.791 -1.172 -5.464 52 3HD1 ILE 7 3HD1 ILE 7 -0.252 -2.444 -4.353 53 H ALA 8 H ALA 8 -4.936 1.163 -2.387 54 HA ALA 8 HA ALA 8 -5.155 3.907 -3.218 55 1HB ALA 8 1HB ALA 8 -6.765 2.181 -3.900 56 2HB ALA 8 2HB ALA 8 -7.183 1.840 -2.211 57 3HB ALA 8 3HB ALA 8 -7.607 3.402 -2.910 58 H GLN 9 H GLN 9 -5.244 2.244 -0.166 59 HA GLN 9 HA GLN 9 -6.520 4.433 1.316 60 1HB GLN 9 1HB GLN 9 -5.527 1.618 1.948 61 2HB GLN 9 2HB GLN 9 -5.916 2.727 3.236 62 1HG GLN 9 1HG GLN 9 -8.142 3.161 2.041 63 2HG GLN 9 2HG GLN 9 -7.767 1.804 0.983 64 2HE2 GLN 9 2HE2 GLN 9 -9.949 1.178 1.975 65 1HE2 GLN 9 1HE2 GLN 9 -9.858 0.166 3.407 66 H CYS 10 H CYS 10 -3.279 3.465 0.468 67 HA CYS 10 HA CYS 10 -1.306 4.091 1.159 68 1HB CYS 10 1HB CYS 10 -1.675 6.567 2.577 69 2HB CYS 10 2HB CYS 10 -0.953 6.125 1.023 70 H SER 11 H SER 11 -1.530 2.260 2.480 71 HA SER 11 HA SER 11 -0.855 2.897 5.277 72 1HB SER 11 1HB SER 11 -3.260 2.383 5.257 73 2HB SER 11 2HB SER 11 -2.944 0.838 4.454 74 HG SER 11 HG SER 11 -1.876 1.631 6.992 75 H LEU 12 H LEU 12 1.241 2.176 5.196 76 HA LEU 12 HA LEU 12 2.072 -0.188 3.697 77 1HB LEU 12 1HB LEU 12 3.348 1.125 6.136 78 2HB LEU 12 2HB LEU 12 4.071 -0.083 5.085 79 HG LEU 12 HG LEU 12 3.498 2.848 4.493 80 1HD1 LEU 12 1HD1 LEU 12 5.911 0.994 4.280 81 2HD1 LEU 12 2HD1 LEU 12 5.934 2.633 3.710 82 3HD1 LEU 12 3HD1 LEU 12 5.693 2.331 5.445 83 1HD2 LEU 12 1HD2 LEU 12 2.738 1.500 2.475 84 2HD2 LEU 12 2HD2 LEU 12 4.123 2.556 2.178 85 3HD2 LEU 12 3HD2 LEU 12 4.391 0.835 2.436 86 H THR 13 H THR 13 0.880 0.461 7.055 87 HA THR 13 HA THR 13 1.303 -2.131 7.983 88 HB THR 13 HB THR 13 -1.139 -0.481 8.643 89 HG1 THR 13 HG1 THR 13 1.572 0.053 9.341 90 1HG2 THR 13 1HG2 THR 13 -0.784 -2.610 9.888 91 2HG2 THR 13 2HG2 THR 13 0.789 -2.015 10.447 92 3HG2 THR 13 3HG2 THR 13 -0.706 -1.203 10.958 93 H LEU 14 H LEU 14 -1.569 -0.930 6.110 94 HA LEU 14 HA LEU 14 -2.869 -3.467 6.463 95 1HB LEU 14 1HB LEU 14 -3.737 -1.047 5.633 96 2HB LEU 14 2HB LEU 14 -3.618 -1.847 4.067 97 HG LEU 14 HG LEU 14 -5.179 -2.581 6.595 98 1HD1 LEU 14 1HD1 LEU 14 -6.066 -1.638 3.829 99 2HD1 LEU 14 2HD1 LEU 14 -7.157 -2.127 5.140 100 3HD1 LEU 14 3HD1 LEU 14 -6.119 -0.708 5.343 101 1HD2 LEU 14 1HD2 LEU 14 -5.051 -4.024 3.950 102 2HD2 LEU 14 2HD2 LEU 14 -4.506 -4.647 5.537 103 3HD2 LEU 14 3HD2 LEU 14 -6.222 -4.334 5.287 104 H CYS 15 H CYS 15 -0.263 -2.426 4.364 105 HA CYS 15 HA CYS 15 -0.706 -4.236 2.222 106 1HB CYS 15 1HB CYS 15 1.861 -3.009 3.272 107 2HB CYS 15 2HB CYS 15 1.850 -4.208 2.027 108 H GLN 16 H GLN 16 0.487 -4.924 5.575 109 HA GLN 16 HA GLN 16 1.494 -7.453 5.027 110 1HB GLN 16 1HB GLN 16 -0.007 -6.257 7.371 111 2HB GLN 16 2HB GLN 16 0.518 -7.935 7.383 112 1HG GLN 16 1HG GLN 16 2.368 -7.042 8.257 113 2HG GLN 16 2HG GLN 16 2.834 -6.864 6.568 114 2HE2 GLN 16 2HE2 GLN 16 1.802 -5.221 9.481 115 1HE2 GLN 16 1HE2 GLN 16 2.210 -3.600 8.928 116 H ASP 17 H ASP 17 -1.918 -6.601 4.686 117 HA ASP 17 HA ASP 17 -2.758 -9.409 4.795 118 1HB ASP 17 1HB ASP 17 -4.074 -6.868 3.820 119 2HB ASP 17 2HB ASP 17 -4.752 -8.465 3.500 120 H CYS 18 H CYS 18 -1.325 -7.251 2.430 121 HA CYS 18 HA CYS 18 -2.036 -8.936 0.141 122 1HB CYS 18 1HB CYS 18 -1.942 -6.593 -0.245 123 2HB CYS 18 2HB CYS 18 -0.261 -6.477 0.306 124 H GLU 19 H GLU 19 -0.848 -10.637 -0.411 125 HA GLU 19 HA GLU 19 0.963 -12.079 0.847 126 1HB GLU 19 1HB GLU 19 0.096 -12.978 -1.074 127 2HB GLU 19 2HB GLU 19 0.497 -11.571 -2.050 128 1HG GLU 19 1HG GLU 19 1.763 -13.552 -2.716 129 2HG GLU 19 2HG GLU 19 2.839 -12.255 -2.214 130 H ASN 20 H ASN 20 2.063 -9.829 -1.662 131 HA ASN 20 HA ASN 20 4.832 -9.915 -0.611 132 1HB ASN 20 1HB ASN 20 5.270 -8.748 -2.824 133 2HB ASN 20 2HB ASN 20 4.805 -10.445 -2.854 134 2HD2 ASN 20 2HD2 ASN 20 3.250 -7.167 -3.044 135 1HD2 ASN 20 1HD2 ASN 20 2.194 -7.667 -4.388 136 H THR 21 H THR 21 3.780 -8.761 1.245 137 HA THR 21 HA THR 21 2.986 -6.255 1.491 138 HB THR 21 HB THR 21 5.149 -7.491 3.123 139 HG1 THR 21 HG1 THR 21 2.391 -7.948 2.812 140 1HG2 THR 21 1HG2 THR 21 4.677 -5.098 3.719 141 2HG2 THR 21 2HG2 THR 21 2.993 -5.541 4.020 142 3HG2 THR 21 3HG2 THR 21 4.295 -6.250 4.992 143 HA PRO 22 HA PRO 22 7.174 -3.980 1.079 144 1HB PRO 22 1HB PRO 22 9.183 -5.204 -0.490 145 2HB PRO 22 2HB PRO 22 9.122 -5.235 1.286 146 1HG PRO 22 1HG PRO 22 8.098 -7.349 -0.608 147 2HG PRO 22 2HG PRO 22 9.109 -7.570 0.850 148 1HD PRO 22 1HD PRO 22 6.483 -7.996 0.982 149 2HD PRO 22 2HD PRO 22 7.267 -7.049 2.281 150 H ILE 23 H ILE 23 6.325 -6.078 -1.775 151 HA ILE 23 HA ILE 23 6.791 -3.947 -3.647 152 HB ILE 23 HB ILE 23 5.244 -6.495 -3.736 153 1HG1 ILE 23 1HG1 ILE 23 7.005 -7.041 -5.416 154 2HG1 ILE 23 2HG1 ILE 23 7.808 -5.509 -5.042 155 1HG2 ILE 23 1HG2 ILE 23 5.576 -4.465 -5.970 156 2HG2 ILE 23 2HG2 ILE 23 5.034 -6.138 -6.200 157 3HG2 ILE 23 3HG2 ILE 23 4.043 -5.025 -5.264 158 1HD1 ILE 23 1HD1 ILE 23 7.246 -7.610 -2.920 159 2HD1 ILE 23 2HD1 ILE 23 8.693 -7.669 -3.922 160 3HD1 ILE 23 3HD1 ILE 23 8.427 -6.274 -2.874 161 H CYS 24 H CYS 24 4.056 -4.984 -1.639 162 HA CYS 24 HA CYS 24 2.121 -3.145 -2.762 163 1HB CYS 24 1HB CYS 24 1.401 -5.064 -1.567 164 2HB CYS 24 2HB CYS 24 2.224 -4.598 -0.108 165 H GLU 25 H GLU 25 4.528 -2.971 -0.114 166 HA GLU 25 HA GLU 25 3.712 -0.503 0.959 167 1HB GLU 25 1HB GLU 25 6.261 -2.148 0.905 168 2HB GLU 25 2HB GLU 25 6.341 -0.643 1.684 169 1HG GLU 25 1HG GLU 25 4.429 -1.359 3.192 170 2HG GLU 25 2HG GLU 25 4.539 -2.957 2.471 171 H LEU 26 H LEU 26 6.129 -1.414 -1.475 172 HA LEU 26 HA LEU 26 7.045 1.152 -2.288 173 1HB LEU 26 1HB LEU 26 8.057 -1.033 -2.850 174 2HB LEU 26 2HB LEU 26 6.698 -1.369 -3.895 175 HG LEU 26 HG LEU 26 7.214 0.413 -5.397 176 1HD1 LEU 26 1HD1 LEU 26 9.305 1.325 -3.381 177 2HD1 LEU 26 2HD1 LEU 26 9.248 1.877 -5.069 178 3HD1 LEU 26 3HD1 LEU 26 7.923 2.279 -3.982 179 1HD2 LEU 26 1HD2 LEU 26 8.582 -1.723 -5.299 180 2HD2 LEU 26 2HD2 LEU 26 9.344 -0.349 -6.148 181 3HD2 LEU 26 3HD2 LEU 26 9.842 -0.777 -4.477 182 H ALA 27 H ALA 27 4.311 -0.879 -3.437 183 HA ALA 27 HA ALA 27 3.455 0.918 -5.447 184 1HB ALA 27 1HB ALA 27 1.867 -1.181 -3.935 185 2HB ALA 27 2HB ALA 27 1.373 -0.379 -5.439 186 3HB ALA 27 3HB ALA 27 2.792 -1.431 -5.426 187 H VAL 28 H VAL 28 2.534 0.679 -1.987 188 HA VAL 28 HA VAL 28 0.590 2.729 -1.933 189 HB VAL 28 HB VAL 28 2.461 1.598 0.087 190 1HG1 VAL 28 1HG1 VAL 28 0.874 4.170 0.382 191 2HG1 VAL 28 2HG1 VAL 28 1.286 3.164 1.787 192 3HG1 VAL 28 3HG1 VAL 28 2.576 3.813 0.775 193 1HG2 VAL 28 1HG2 VAL 28 0.287 0.484 -0.440 194 2HG2 VAL 28 2HG2 VAL 28 0.455 0.976 1.250 195 3HG2 VAL 28 3HG2 VAL 28 -0.536 1.956 0.157 196 H LYS 29 H LYS 29 4.213 3.085 -1.270 197 HA LYS 29 HA LYS 29 4.047 5.846 -1.337 198 1HB LYS 29 1HB LYS 29 6.056 3.921 -1.010 199 2HB LYS 29 2HB LYS 29 6.551 4.671 -2.510 200 1HG LYS 29 1HG LYS 29 5.707 6.607 -0.376 201 2HG LYS 29 2HG LYS 29 7.014 5.572 0.107 202 1HD LYS 29 1HD LYS 29 6.969 7.114 -2.566 203 2HD LYS 29 2HD LYS 29 7.599 7.830 -1.086 204 1HE LYS 29 1HE LYS 29 8.733 5.429 -2.482 205 2HE LYS 29 2HE LYS 29 9.456 7.030 -2.318 206 1HZ LYS 29 1HZ LYS 29 9.443 6.654 0.138 207 2HZ LYS 29 2HZ LYS 29 9.009 5.075 -0.159 208 3HZ LYS 29 3HZ LYS 29 10.427 5.675 -0.679 209 H GLY 30 H GLY 30 4.273 3.647 -4.063 210 1HA GLY 30 1HA GLY 30 3.926 3.984 -6.297 211 2HA GLY 30 2HA GLY 30 4.801 5.519 -6.108 212 H SER 31 H SER 31 1.770 4.472 -4.543 213 HA SER 31 HA SER 31 0.133 5.869 -6.496 214 1HB SER 31 1HB SER 31 -0.247 3.616 -5.209 215 2HB SER 31 2HB SER 31 -0.965 4.629 -3.947 216 HG SER 31 HG SER 31 -1.622 4.306 -6.683 217 H CYS 32 H CYS 32 0.553 6.070 -2.947 218 HA CYS 32 HA CYS 32 -0.589 8.827 -2.962 219 1HB CYS 32 1HB CYS 32 -0.001 6.946 -0.668 220 2HB CYS 32 2HB CYS 32 -0.709 8.551 -0.535 221 HA PRO 33 HA PRO 33 3.809 9.769 -2.356 222 1HB PRO 33 1HB PRO 33 3.637 12.328 -1.338 223 2HB PRO 33 2HB PRO 33 3.391 11.935 -3.066 224 1HG PRO 33 1HG PRO 33 1.260 12.264 -0.937 225 2HG PRO 33 2HG PRO 33 1.328 13.052 -2.539 226 1HD PRO 33 1HD PRO 33 -0.125 10.807 -2.108 227 2HD PRO 33 2HD PRO 33 0.766 10.995 -3.646 228 HA PRO 34 HA PRO 34 3.929 9.077 2.172 229 1HB PRO 34 1HB PRO 34 6.555 9.619 2.698 230 2HB PRO 34 2HB PRO 34 6.119 8.196 1.716 231 1HG PRO 34 1HG PRO 34 6.884 10.958 0.754 232 2HG PRO 34 2HG PRO 34 7.657 9.437 0.291 233 1HD PRO 34 1HD PRO 34 5.654 10.677 -1.167 234 2HD PRO 34 2HD PRO 34 5.711 8.898 -1.121 235 HA PRO 35 HA PRO 35 4.532 9.758 4.369 236 1HB PRO 35 1HB PRO 35 3.552 11.030 6.543 237 2HB PRO 35 2HB PRO 35 5.129 11.509 5.843 238 1HG PRO 35 1HG PRO 35 2.431 12.810 5.405 239 2HG PRO 35 2HG PRO 35 3.980 13.616 5.786 240 1HD PRO 35 1HD PRO 35 2.904 13.266 3.221 241 2HD PRO 35 2HD PRO 35 4.636 13.495 3.531 242 H TRP 36 H TRP 36 2.820 8.621 5.730 243 HA TRP 36 HA TRP 36 0.357 8.501 4.069 244 1HB TRP 36 1HB TRP 36 1.773 6.442 5.751 245 2HB TRP 36 2HB TRP 36 0.295 6.184 4.820 246 HD1 TRP 36 HD1 TRP 36 0.571 6.864 2.117 247 HE1 TRP 36 HE1 TRP 36 2.390 6.241 0.474 248 HE3 TRP 36 HE3 TRP 36 4.293 5.899 5.458 249 HZ2 TRP 36 HZ2 TRP 36 4.903 4.813 0.704 250 HZ3 TRP 36 HZ3 TRP 36 6.433 4.957 4.700 251 HH2 TRP 36 HH2 TRP 36 6.802 4.477 2.293 252 H SER 37 H SER 37 -1.504 9.111 4.868 253 HA SER 37 HA SER 37 -2.002 9.417 7.754 254 1HB SER 37 1HB SER 37 -2.863 11.059 6.081 255 2HB SER 37 2HB SER 37 -3.772 9.752 5.296 256 HG SER 37 HG SER 37 -4.684 9.395 7.454 No H/Q in entry = 256 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 -9.447 -6.710 -3.776 2 H2 ASP 1 H2 ASP 1 -8.699 -6.671 -5.220 3 H3 ASP 1 H3 ASP 1 -9.567 -8.008 -4.754 4 HA ASP 1 HA ASP 1 -8.062 -8.711 -3.216 5 1HB ASP 1 1HB ASP 1 -5.862 -8.756 -4.222 6 2HB ASP 1 2HB ASP 1 -7.085 -8.997 -5.466 7 H ILE 2 H ILE 2 -6.435 -8.289 -1.635 8 HA ILE 2 HA ILE 2 -7.126 -5.770 -0.436 9 HB ILE 2 HB ILE 2 -6.940 -8.021 0.579 10 1HG1 ILE 2 1HG1 ILE 2 -7.457 -6.629 2.172 11 2HG1 ILE 2 2HG1 ILE 2 -6.053 -7.517 2.764 12 1HG2 ILE 2 1HG2 ILE 2 -4.563 -8.491 -0.239 13 2HG2 ILE 2 2HG2 ILE 2 -4.050 -7.376 1.055 14 3HG2 ILE 2 3HG2 ILE 2 -4.884 -8.885 1.458 15 1HD1 ILE 2 1HD1 ILE 2 -4.642 -5.523 2.103 16 2HD1 ILE 2 2HD1 ILE 2 -6.184 -4.666 1.815 17 3HD1 ILE 2 3HD1 ILE 2 -5.815 -5.283 3.427 18 H CYS 3 H CYS 3 -4.316 -6.916 -2.277 19 HA CYS 3 HA CYS 3 -2.465 -4.852 -1.437 20 1HB CYS 3 1HB CYS 3 -2.763 -6.668 -3.791 21 2HB CYS 3 2HB CYS 3 -2.025 -5.107 -4.133 22 H ASP 4 H ASP 4 -5.006 -5.026 -3.951 23 HA ASP 4 HA ASP 4 -4.681 -2.359 -4.870 24 1HB ASP 4 1HB ASP 4 -5.875 -4.094 -6.124 25 2HB ASP 4 2HB ASP 4 -7.172 -4.115 -4.918 26 H ILE 5 H ILE 5 -6.794 -3.722 -2.353 27 HA ILE 5 HA ILE 5 -8.073 -1.370 -1.461 28 HB ILE 5 HB ILE 5 -7.081 -3.719 0.152 29 1HG1 ILE 5 1HG1 ILE 5 -9.723 -3.102 -1.151 30 2HG1 ILE 5 2HG1 ILE 5 -8.649 -4.388 -1.557 31 1HG2 ILE 5 1HG2 ILE 5 -7.449 -1.855 1.646 32 2HG2 ILE 5 2HG2 ILE 5 -9.092 -1.630 0.990 33 3HG2 ILE 5 3HG2 ILE 5 -8.640 -3.091 1.908 34 1HD1 ILE 5 1HD1 ILE 5 -9.070 -5.324 0.799 35 2HD1 ILE 5 2HD1 ILE 5 -10.363 -4.106 0.933 36 3HD1 ILE 5 3HD1 ILE 5 -10.458 -5.343 -0.310 37 H ALA 6 H ALA 6 -4.999 -2.773 -0.191 38 HA ALA 6 HA ALA 6 -4.428 -0.763 1.665 39 1HB ALA 6 1HB ALA 6 -2.131 -1.645 1.631 40 2HB ALA 6 2HB ALA 6 -3.291 -2.986 1.577 41 3HB ALA 6 3HB ALA 6 -2.448 -2.483 0.101 42 H ILE 7 H ILE 7 -3.590 -0.941 -1.804 43 HA ILE 7 HA ILE 7 -2.070 1.501 -1.826 44 HB ILE 7 HB ILE 7 -3.495 -0.012 -4.016 45 1HG1 ILE 7 1HG1 ILE 7 -0.507 0.301 -3.466 46 2HG1 ILE 7 2HG1 ILE 7 -1.438 -0.974 -2.680 47 1HG2 ILE 7 1HG2 ILE 7 -1.591 2.372 -4.149 48 2HG2 ILE 7 2HG2 ILE 7 -2.065 1.399 -5.557 49 3HG2 ILE 7 3HG2 ILE 7 -3.275 2.356 -4.705 50 1HD1 ILE 7 1HD1 ILE 7 -2.190 -1.828 -4.857 51 2HD1 ILE 7 2HD1 ILE 7 -1.145 -0.646 -5.681 52 3HD1 ILE 7 3HD1 ILE 7 -0.428 -1.893 -4.637 53 H ALA 8 H ALA 8 -5.584 0.847 -2.396 54 HA ALA 8 HA ALA 8 -6.297 3.532 -3.038 55 1HB ALA 8 1HB ALA 8 -7.762 1.520 -3.309 56 2HB ALA 8 2HB ALA 8 -7.982 1.461 -1.552 57 3HB ALA 8 3HB ALA 8 -8.557 2.861 -2.462 58 H GLN 9 H GLN 9 -5.891 1.828 -0.008 59 HA GLN 9 HA GLN 9 -6.718 3.955 1.794 60 1HB GLN 9 1HB GLN 9 -5.235 1.338 2.095 61 2HB GLN 9 2HB GLN 9 -5.828 2.247 3.466 62 1HG GLN 9 1HG GLN 9 -7.863 1.638 1.311 63 2HG GLN 9 2HG GLN 9 -7.207 0.266 2.177 64 2HE2 GLN 9 2HE2 GLN 9 -8.762 -0.356 3.609 65 1HE2 GLN 9 1HE2 GLN 9 -9.569 0.708 4.730 66 H CYS 10 H CYS 10 -3.883 3.216 0.070 67 HA CYS 10 HA CYS 10 -1.688 3.151 0.463 68 1HB CYS 10 1HB CYS 10 -0.711 5.514 0.402 69 2HB CYS 10 2HB CYS 10 -1.695 4.930 -0.915 70 H SER 11 H SER 11 -2.089 2.167 2.584 71 HA SER 11 HA SER 11 -0.721 3.720 4.751 72 1HB SER 11 1HB SER 11 -3.161 3.599 5.240 73 2HB SER 11 2HB SER 11 -3.065 1.833 5.067 74 HG SER 11 HG SER 11 -1.849 3.501 7.052 75 H LEU 12 H LEU 12 1.162 2.653 5.142 76 HA LEU 12 HA LEU 12 1.785 0.288 3.687 77 1HB LEU 12 1HB LEU 12 3.238 1.604 5.963 78 2HB LEU 12 2HB LEU 12 3.897 0.284 4.995 79 HG LEU 12 HG LEU 12 2.942 2.897 3.743 80 1HD1 LEU 12 1HD1 LEU 12 5.719 2.059 4.627 81 2HD1 LEU 12 2HD1 LEU 12 5.330 3.511 3.667 82 3HD1 LEU 12 3HD1 LEU 12 4.743 3.367 5.341 83 1HD2 LEU 12 1HD2 LEU 12 3.177 0.927 2.201 84 2HD2 LEU 12 2HD2 LEU 12 4.324 2.224 1.862 85 3HD2 LEU 12 3HD2 LEU 12 4.869 0.772 2.721 86 H THR 13 H THR 13 0.707 0.781 7.072 87 HA THR 13 HA THR 13 1.115 -1.836 8.000 88 HB THR 13 HB THR 13 -1.173 0.138 8.428 89 HG1 THR 13 HG1 THR 13 0.846 0.819 9.120 90 1HG2 THR 13 1HG2 THR 13 -0.560 -2.428 9.952 91 2HG2 THR 13 2HG2 THR 13 -1.606 -1.106 10.526 92 3HG2 THR 13 3HG2 THR 13 -2.058 -2.004 9.089 93 H LEU 14 H LEU 14 -1.617 -0.707 5.873 94 HA LEU 14 HA LEU 14 -2.982 -3.165 6.284 95 1HB LEU 14 1HB LEU 14 -3.999 -0.967 5.987 96 2HB LEU 14 2HB LEU 14 -3.312 -0.863 4.362 97 HG LEU 14 HG LEU 14 -4.547 -2.564 3.524 98 1HD1 LEU 14 1HD1 LEU 14 -5.567 -2.867 6.357 99 2HD1 LEU 14 2HD1 LEU 14 -6.401 -3.595 4.953 100 3HD1 LEU 14 3HD1 LEU 14 -4.752 -4.117 5.369 101 1HD2 LEU 14 1HD2 LEU 14 -5.560 -0.299 3.704 102 2HD2 LEU 14 2HD2 LEU 14 -6.831 -1.543 3.802 103 3HD2 LEU 14 3HD2 LEU 14 -6.271 -0.723 5.269 104 H CYS 15 H CYS 15 -0.285 -2.214 4.296 105 HA CYS 15 HA CYS 15 -0.744 -4.032 2.085 106 1HB CYS 15 1HB CYS 15 1.755 -2.720 3.204 107 2HB CYS 15 2HB CYS 15 1.864 -4.030 2.052 108 H GLN 16 H GLN 16 0.333 -4.457 5.440 109 HA GLN 16 HA GLN 16 1.640 -6.969 5.008 110 1HB GLN 16 1HB GLN 16 0.289 -5.959 7.542 111 2HB GLN 16 2HB GLN 16 1.394 -7.330 7.382 112 1HG GLN 16 1HG GLN 16 3.072 -5.656 6.336 113 2HG GLN 16 2HG GLN 16 2.016 -4.381 6.958 114 2HE2 GLN 16 2HE2 GLN 16 3.255 -3.522 8.712 115 1HE2 GLN 16 1HE2 GLN 16 3.882 -4.574 9.959 116 H ASP 17 H ASP 17 -1.765 -6.193 4.956 117 HA ASP 17 HA ASP 17 -2.663 -8.902 5.546 118 1HB ASP 17 1HB ASP 17 -3.948 -6.534 4.137 119 2HB ASP 17 2HB ASP 17 -4.731 -8.084 4.388 120 H CYS 18 H CYS 18 -1.366 -7.210 2.719 121 HA CYS 18 HA CYS 18 -2.609 -9.016 0.799 122 1HB CYS 18 1HB CYS 18 -2.082 -6.676 0.131 123 2HB CYS 18 2HB CYS 18 -0.366 -6.981 0.425 124 H GLU 19 H GLU 19 -1.434 -10.552 -0.490 125 HA GLU 19 HA GLU 19 0.434 -12.290 0.201 126 1HB GLU 19 1HB GLU 19 -0.566 -12.232 -2.005 127 2HB GLU 19 2HB GLU 19 0.266 -10.735 -2.341 128 1HG GLU 19 1HG GLU 19 2.482 -12.060 -2.196 129 2HG GLU 19 2HG GLU 19 1.471 -13.509 -2.138 130 H ASN 20 H ASN 20 1.399 -9.243 -1.382 131 HA ASN 20 HA ASN 20 4.183 -9.883 -0.665 132 1HB ASN 20 1HB ASN 20 4.669 -8.621 -2.701 133 2HB ASN 20 2HB ASN 20 3.806 -10.120 -2.942 134 2HD2 ASN 20 2HD2 ASN 20 2.229 -10.039 -4.434 135 1HD2 ASN 20 1HD2 ASN 20 1.549 -8.530 -5.065 136 H THR 21 H THR 21 4.426 -8.801 1.320 137 HA THR 21 HA THR 21 3.636 -6.231 1.829 138 HB THR 21 HB THR 21 6.300 -6.788 2.975 139 HG1 THR 21 HG1 THR 21 4.105 -8.599 3.254 140 1HG2 THR 21 1HG2 THR 21 4.657 -5.125 3.828 141 2HG2 THR 21 2HG2 THR 21 3.536 -6.452 4.160 142 3HG2 THR 21 3HG2 THR 21 5.089 -6.357 5.028 143 HA PRO 22 HA PRO 22 7.477 -4.133 0.361 144 1HB PRO 22 1HB PRO 22 9.328 -5.307 -1.384 145 2HB PRO 22 2HB PRO 22 9.447 -5.395 0.392 146 1HG PRO 22 1HG PRO 22 8.308 -7.470 -1.494 147 2HG PRO 22 2HG PRO 22 9.399 -7.722 -0.107 148 1HD PRO 22 1HD PRO 22 6.728 -8.140 0.078 149 2HD PRO 22 2HD PRO 22 7.665 -7.455 1.434 150 H ILE 23 H ILE 23 6.383 -6.330 -2.301 151 HA ILE 23 HA ILE 23 6.532 -4.391 -4.351 152 HB ILE 23 HB ILE 23 4.806 -6.756 -3.824 153 1HG1 ILE 23 1HG1 ILE 23 5.923 -7.535 -5.944 154 2HG1 ILE 23 2HG1 ILE 23 6.989 -6.132 -5.826 155 1HG2 ILE 23 1HG2 ILE 23 4.572 -5.028 -6.307 156 2HG2 ILE 23 2HG2 ILE 23 3.845 -6.628 -6.089 157 3HG2 ILE 23 3HG2 ILE 23 3.301 -5.290 -5.097 158 1HD1 ILE 23 1HD1 ILE 23 6.690 -8.269 -3.670 159 2HD1 ILE 23 2HD1 ILE 23 7.897 -8.324 -4.957 160 3HD1 ILE 23 3HD1 ILE 23 7.947 -7.007 -3.771 161 H CYS 24 H CYS 24 4.010 -5.108 -1.924 162 HA CYS 24 HA CYS 24 2.121 -3.176 -2.873 163 1HB CYS 24 1HB CYS 24 1.510 -5.126 -1.578 164 2HB CYS 24 2HB CYS 24 2.381 -4.538 -0.171 165 H GLU 25 H GLU 25 4.653 -3.111 -0.321 166 HA GLU 25 HA GLU 25 4.119 -0.599 0.825 167 1HB GLU 25 1HB GLU 25 6.561 -2.301 0.333 168 2HB GLU 25 2HB GLU 25 6.790 -0.794 1.100 169 1HG GLU 25 1HG GLU 25 5.414 -1.431 3.006 170 2HG GLU 25 2HG GLU 25 4.889 -2.906 2.203 171 H LEU 26 H LEU 26 6.197 -1.609 -1.871 172 HA LEU 26 HA LEU 26 7.169 0.909 -2.608 173 1HB LEU 26 1HB LEU 26 7.793 -1.547 -3.336 174 2HB LEU 26 2HB LEU 26 6.616 -1.314 -4.610 175 HG LEU 26 HG LEU 26 8.784 0.765 -4.181 176 1HD1 LEU 26 1HD1 LEU 26 9.137 -1.970 -5.477 177 2HD1 LEU 26 2HD1 LEU 26 10.252 -0.602 -5.686 178 3HD1 LEU 26 3HD1 LEU 26 10.024 -1.313 -4.082 179 1HD2 LEU 26 1HD2 LEU 26 6.924 1.007 -5.934 180 2HD2 LEU 26 2HD2 LEU 26 8.575 1.072 -6.545 181 3HD2 LEU 26 3HD2 LEU 26 7.614 -0.415 -6.743 182 H ALA 27 H ALA 27 4.247 -0.843 -3.754 183 HA ALA 27 HA ALA 27 3.390 1.169 -5.575 184 1HB ALA 27 1HB ALA 27 2.461 -1.108 -5.551 185 2HB ALA 27 2HB ALA 27 1.197 0.131 -5.429 186 3HB ALA 27 3HB ALA 27 1.686 -0.783 -3.986 187 H VAL 28 H VAL 28 2.495 0.688 -2.101 188 HA VAL 28 HA VAL 28 0.785 2.900 -1.861 189 HB VAL 28 HB VAL 28 2.549 1.469 0.071 190 1HG1 VAL 28 1HG1 VAL 28 0.664 3.758 0.684 191 2HG1 VAL 28 2HG1 VAL 28 1.217 2.604 1.915 192 3HG1 VAL 28 3HG1 VAL 28 2.386 3.640 1.089 193 1HG2 VAL 28 1HG2 VAL 28 -0.458 1.554 -0.322 194 2HG2 VAL 28 2HG2 VAL 28 0.607 0.224 -0.771 195 3HG2 VAL 28 3HG2 VAL 28 0.367 0.638 0.942 196 H LYS 29 H LYS 29 4.396 2.794 -1.426 197 HA LYS 29 HA LYS 29 4.713 5.501 -0.770 198 1HB LYS 29 1HB LYS 29 6.639 3.702 -2.300 199 2HB LYS 29 2HB LYS 29 6.981 5.138 -1.396 200 1HG LYS 29 1HG LYS 29 5.689 2.984 0.203 201 2HG LYS 29 2HG LYS 29 7.246 2.527 -0.489 202 1HD LYS 29 1HD LYS 29 6.686 4.986 1.164 203 2HD LYS 29 2HD LYS 29 7.282 3.469 1.838 204 1HE LYS 29 1HE LYS 29 9.385 3.610 0.729 205 2HE LYS 29 2HE LYS 29 8.863 4.888 -0.364 206 1HZ LYS 29 1HZ LYS 29 8.659 6.353 1.533 207 2HZ LYS 29 2HZ LYS 29 9.202 5.193 2.547 208 3HZ LYS 29 3HZ LYS 29 10.170 5.843 1.376 209 H GLY 30 H GLY 30 4.653 3.750 -3.852 210 1HA GLY 30 1HA GLY 30 4.356 4.371 -6.003 211 2HA GLY 30 2HA GLY 30 5.308 5.821 -5.646 212 H SER 31 H SER 31 2.167 4.857 -4.211 213 HA SER 31 HA SER 31 0.630 6.551 -5.964 214 1HB SER 31 1HB SER 31 -0.127 5.039 -3.439 215 2HB SER 31 2HB SER 31 -1.263 5.763 -4.579 216 HG SER 31 HG SER 31 -0.708 4.298 -6.088 217 H CYS 32 H CYS 32 1.471 6.755 -2.448 218 HA CYS 32 HA CYS 32 0.204 9.490 -2.412 219 1HB CYS 32 1HB CYS 32 0.286 7.271 -0.387 220 2HB CYS 32 2HB CYS 32 -0.266 8.887 0.027 221 HA PRO 33 HA PRO 33 4.154 10.871 -0.952 222 1HB PRO 33 1HB PRO 33 3.563 13.189 0.368 223 2HB PRO 33 2HB PRO 33 3.277 13.013 -1.385 224 1HG PRO 33 1HG PRO 33 1.262 12.666 0.856 225 2HG PRO 33 2HG PRO 33 1.095 13.656 -0.620 226 1HD PRO 33 1HD PRO 33 0.084 11.118 -0.458 227 2HD PRO 33 2HD PRO 33 0.778 11.770 -1.965 228 HA PRO 34 HA PRO 34 4.562 9.348 3.244 229 1HB PRO 34 1HB PRO 34 6.669 10.803 4.280 230 2HB PRO 34 2HB PRO 34 6.930 9.579 3.039 231 1HG PRO 34 1HG PRO 34 6.606 12.541 2.612 232 2HG PRO 34 2HG PRO 34 7.868 11.467 1.946 233 1HD PRO 34 1HD PRO 34 5.712 12.134 0.468 234 2HD PRO 34 2HD PRO 34 6.322 10.460 0.429 235 HA PRO 35 HA PRO 35 4.824 9.157 5.565 236 1HB PRO 35 1HB PRO 35 3.257 8.972 7.756 237 2HB PRO 35 2HB PRO 35 4.653 10.089 7.732 238 1HG PRO 35 1HG PRO 35 1.745 10.756 7.174 239 2HG PRO 35 2HG PRO 35 2.841 11.584 8.313 240 1HD PRO 35 1HD PRO 35 2.442 12.492 5.788 241 2HD PRO 35 2HD PRO 35 4.055 12.597 6.538 242 H TRP 36 H TRP 36 3.428 7.141 6.060 243 HA TRP 36 HA TRP 36 0.816 7.127 4.574 244 1HB TRP 36 1HB TRP 36 2.907 4.959 4.794 245 2HB TRP 36 2HB TRP 36 1.324 4.810 4.018 246 HD1 TRP 36 HD1 TRP 36 0.949 6.141 1.744 247 HE1 TRP 36 HE1 TRP 36 2.573 7.097 -0.024 248 HE3 TRP 36 HE3 TRP 36 5.266 6.079 4.474 249 HZ2 TRP 36 HZ2 TRP 36 5.311 7.924 -0.146 250 HZ3 TRP 36 HZ3 TRP 36 7.338 7.027 3.551 251 HH2 TRP 36 HH2 TRP 36 7.366 7.988 1.229 252 H SER 37 H SER 37 0.041 7.863 6.680 253 HA SER 37 HA SER 37 0.471 6.304 9.060 254 1HB SER 37 1HB SER 37 -1.593 8.465 8.470 255 2HB SER 37 2HB SER 37 -0.960 7.970 10.043 256 HG SER 37 HG SER 37 1.167 8.655 9.124 No H/Q in entry = 256 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 -9.329 -6.447 -4.260 2 H2 ASP 1 H2 ASP 1 -7.985 -6.281 -5.191 3 H3 ASP 1 H3 ASP 1 -8.880 -7.644 -5.330 4 HA ASP 1 HA ASP 1 -8.382 -8.253 -3.070 5 1HB ASP 1 1HB ASP 1 -6.206 -9.031 -3.403 6 2HB ASP 1 2HB ASP 1 -6.930 -9.040 -5.000 7 H ILE 2 H ILE 2 -6.810 -8.070 -1.366 8 HA ILE 2 HA ILE 2 -7.157 -5.588 -0.073 9 HB ILE 2 HB ILE 2 -6.956 -7.895 0.819 10 1HG1 ILE 2 1HG1 ILE 2 -7.156 -6.574 2.551 11 2HG1 ILE 2 2HG1 ILE 2 -5.689 -7.496 2.871 12 1HG2 ILE 2 1HG2 ILE 2 -4.698 -8.424 -0.339 13 2HG2 ILE 2 2HG2 ILE 2 -3.993 -7.418 0.946 14 3HG2 ILE 2 3HG2 ILE 2 -4.843 -8.916 1.359 15 1HD1 ILE 2 1HD1 ILE 2 -4.367 -5.511 2.026 16 2HD1 ILE 2 2HD1 ILE 2 -5.927 -4.616 2.040 17 3HD1 ILE 2 3HD1 ILE 2 -5.279 -5.307 3.534 18 H CYS 3 H CYS 3 -4.453 -6.807 -2.087 19 HA CYS 3 HA CYS 3 -2.588 -4.759 -1.284 20 1HB CYS 3 1HB CYS 3 -2.721 -6.734 -3.407 21 2HB CYS 3 2HB CYS 3 -2.427 -5.161 -4.142 22 H ASP 4 H ASP 4 -5.262 -4.773 -3.704 23 HA ASP 4 HA ASP 4 -4.581 -2.077 -4.530 24 1HB ASP 4 1HB ASP 4 -5.825 -3.769 -5.943 25 2HB ASP 4 2HB ASP 4 -7.255 -3.427 -4.957 26 H ILE 5 H ILE 5 -6.744 -3.538 -2.132 27 HA ILE 5 HA ILE 5 -8.078 -1.189 -1.249 28 HB ILE 5 HB ILE 5 -7.107 -3.482 0.466 29 1HG1 ILE 5 1HG1 ILE 5 -9.744 -2.977 -0.957 30 2HG1 ILE 5 2HG1 ILE 5 -8.596 -4.212 -1.368 31 1HG2 ILE 5 1HG2 ILE 5 -7.656 -1.459 1.761 32 2HG2 ILE 5 2HG2 ILE 5 -9.270 -1.454 1.015 33 3HG2 ILE 5 3HG2 ILE 5 -8.756 -2.797 2.070 34 1HD1 ILE 5 1HD1 ILE 5 -8.944 -5.062 1.091 35 2HD1 ILE 5 2HD1 ILE 5 -10.391 -4.043 1.048 36 3HD1 ILE 5 3HD1 ILE 5 -10.207 -5.367 -0.118 37 H ALA 6 H ALA 6 -5.057 -2.617 0.128 38 HA ALA 6 HA ALA 6 -4.352 -0.511 1.820 39 1HB ALA 6 1HB ALA 6 -2.082 -1.508 1.710 40 2HB ALA 6 2HB ALA 6 -3.302 -2.799 1.765 41 3HB ALA 6 3HB ALA 6 -2.517 -2.390 0.231 42 H ILE 7 H ILE 7 -3.623 -0.895 -1.662 43 HA ILE 7 HA ILE 7 -1.980 1.478 -1.766 44 HB ILE 7 HB ILE 7 -3.211 -0.224 -3.914 45 1HG1 ILE 7 1HG1 ILE 7 -0.289 -0.041 -3.034 46 2HG1 ILE 7 2HG1 ILE 7 -1.379 -1.129 -2.199 47 1HG2 ILE 7 1HG2 ILE 7 -1.045 1.925 -4.119 48 2HG2 ILE 7 2HG2 ILE 7 -1.506 0.817 -5.424 49 3HG2 ILE 7 3HG2 ILE 7 -2.658 2.005 -4.849 50 1HD1 ILE 7 1HD1 ILE 7 -1.963 -2.226 -4.347 51 2HD1 ILE 7 2HD1 ILE 7 -0.723 -1.254 -5.154 52 3HD1 ILE 7 3HD1 ILE 7 -0.260 -2.380 -3.852 53 H ALA 8 H ALA 8 -5.459 0.887 -2.166 54 HA ALA 8 HA ALA 8 -6.106 3.547 -3.175 55 1HB ALA 8 1HB ALA 8 -7.630 1.630 -3.452 56 2HB ALA 8 2HB ALA 8 -7.816 1.499 -1.692 57 3HB ALA 8 3HB ALA 8 -8.382 2.940 -2.534 58 H GLN 9 H GLN 9 -5.850 1.967 -0.047 59 HA GLN 9 HA GLN 9 -6.527 4.283 1.597 60 1HB GLN 9 1HB GLN 9 -5.241 1.573 2.125 61 2HB GLN 9 2HB GLN 9 -5.734 2.630 3.410 62 1HG GLN 9 1HG GLN 9 -7.628 1.374 1.345 63 2HG GLN 9 2HG GLN 9 -7.307 0.760 2.961 64 2HE2 GLN 9 2HE2 GLN 9 -9.379 0.932 3.859 65 1HE2 GLN 9 1HE2 GLN 9 -10.274 2.425 3.867 66 H CYS 10 H CYS 10 -3.837 3.303 -0.126 67 HA CYS 10 HA CYS 10 -1.643 3.290 0.058 68 1HB CYS 10 1HB CYS 10 -0.562 5.556 0.249 69 2HB CYS 10 2HB CYS 10 -1.664 5.223 -1.043 70 H SER 11 H SER 11 -2.062 1.991 1.986 71 HA SER 11 HA SER 11 -1.127 3.178 4.580 72 1HB SER 11 1HB SER 11 -3.473 2.563 4.712 73 2HB SER 11 2HB SER 11 -3.143 0.981 4.005 74 HG SER 11 HG SER 11 -3.216 1.514 6.510 75 H LEU 12 H LEU 12 0.921 2.467 4.959 76 HA LEU 12 HA LEU 12 1.972 0.009 3.801 77 1HB LEU 12 1HB LEU 12 3.055 1.771 6.005 78 2HB LEU 12 2HB LEU 12 3.907 0.420 5.254 79 HG LEU 12 HG LEU 12 3.014 2.973 3.840 80 1HD1 LEU 12 1HD1 LEU 12 5.742 1.856 4.594 81 2HD1 LEU 12 2HD1 LEU 12 5.458 3.344 3.676 82 3HD1 LEU 12 3HD1 LEU 12 4.930 3.236 5.378 83 1HD2 LEU 12 1HD2 LEU 12 3.035 1.016 2.264 84 2HD2 LEU 12 2HD2 LEU 12 4.289 2.205 1.914 85 3HD2 LEU 12 3HD2 LEU 12 4.719 0.709 2.748 86 H THR 13 H THR 13 0.298 0.816 6.837 87 HA THR 13 HA THR 13 0.901 -1.722 8.046 88 HB THR 13 HB THR 13 -1.514 0.107 8.430 89 HG1 THR 13 HG1 THR 13 0.566 0.948 8.931 90 1HG2 THR 13 1HG2 THR 13 -0.499 -2.252 10.088 91 2HG2 THR 13 2HG2 THR 13 -1.694 -1.062 10.647 92 3HG2 THR 13 3HG2 THR 13 -2.072 -2.120 9.284 93 H LEU 14 H LEU 14 -2.101 -0.732 6.128 94 HA LEU 14 HA LEU 14 -3.125 -3.315 6.440 95 1HB LEU 14 1HB LEU 14 -4.388 -1.238 6.104 96 2HB LEU 14 2HB LEU 14 -3.719 -1.124 4.475 97 HG LEU 14 HG LEU 14 -4.675 -3.011 3.727 98 1HD1 LEU 14 1HD1 LEU 14 -5.806 -3.237 6.530 99 2HD1 LEU 14 2HD1 LEU 14 -6.481 -4.160 5.162 100 3HD1 LEU 14 3HD1 LEU 14 -4.808 -4.455 5.692 101 1HD2 LEU 14 1HD2 LEU 14 -5.951 -0.921 3.625 102 2HD2 LEU 14 2HD2 LEU 14 -7.080 -2.285 3.849 103 3HD2 LEU 14 3HD2 LEU 14 -6.658 -1.249 5.227 104 H CYS 15 H CYS 15 -0.597 -2.084 4.378 105 HA CYS 15 HA CYS 15 -0.843 -3.906 2.188 106 1HB CYS 15 1HB CYS 15 1.419 -2.328 3.391 107 2HB CYS 15 2HB CYS 15 1.849 -3.724 2.422 108 H GLN 16 H GLN 16 0.171 -4.407 5.516 109 HA GLN 16 HA GLN 16 1.736 -6.712 5.319 110 1HB GLN 16 1HB GLN 16 -0.333 -5.805 7.340 111 2HB GLN 16 2HB GLN 16 0.724 -7.197 7.611 112 1HG GLN 16 1HG GLN 16 1.929 -4.496 6.914 113 2HG GLN 16 2HG GLN 16 1.436 -4.891 8.561 114 2HE2 GLN 16 2HE2 GLN 16 2.662 -6.396 9.796 115 1HE2 GLN 16 1HE2 GLN 16 4.171 -7.045 9.191 116 H ASP 17 H ASP 17 -1.862 -6.466 5.134 117 HA ASP 17 HA ASP 17 -2.205 -9.331 5.206 118 1HB ASP 17 1HB ASP 17 -3.978 -7.025 4.348 119 2HB ASP 17 2HB ASP 17 -4.457 -8.722 4.162 120 H CYS 18 H CYS 18 -1.153 -7.201 2.629 121 HA CYS 18 HA CYS 18 -2.412 -8.750 0.536 122 1HB CYS 18 1HB CYS 18 -1.872 -6.497 0.011 123 2HB CYS 18 2HB CYS 18 -0.167 -6.695 0.447 124 H GLU 19 H GLU 19 -1.364 -10.228 -0.886 125 HA GLU 19 HA GLU 19 0.204 -12.231 -0.364 126 1HB GLU 19 1HB GLU 19 -0.704 -11.585 -2.614 127 2HB GLU 19 2HB GLU 19 0.703 -10.534 -2.770 128 1HG GLU 19 1HG GLU 19 2.119 -12.667 -2.347 129 2HG GLU 19 2HG GLU 19 0.596 -13.549 -2.583 130 H ASN 20 H ASN 20 1.719 -9.129 -1.392 131 HA ASN 20 HA ASN 20 4.363 -10.136 -0.530 132 1HB ASN 20 1HB ASN 20 5.117 -8.929 -2.534 133 2HB ASN 20 2HB ASN 20 4.265 -10.446 -2.803 134 2HD2 ASN 20 2HD2 ASN 20 2.590 -7.253 -2.276 135 1HD2 ASN 20 1HD2 ASN 20 1.995 -7.176 -3.919 136 H THR 21 H THR 21 4.893 -8.916 1.290 137 HA THR 21 HA THR 21 3.797 -6.435 1.759 138 HB THR 21 HB THR 21 6.397 -7.114 3.039 139 HG1 THR 21 HG1 THR 21 3.879 -8.320 3.341 140 1HG2 THR 21 1HG2 THR 21 5.089 -5.037 3.650 141 2HG2 THR 21 2HG2 THR 21 3.761 -6.097 4.158 142 3HG2 THR 21 3HG2 THR 21 5.338 -6.185 4.958 143 HA PRO 22 HA PRO 22 7.476 -3.843 0.605 144 1HB PRO 22 1HB PRO 22 9.525 -4.840 -1.068 145 2HB PRO 22 2HB PRO 22 9.571 -4.868 0.707 146 1HG PRO 22 1HG PRO 22 8.673 -7.101 -1.136 147 2HG PRO 22 2HG PRO 22 9.827 -7.188 0.225 148 1HD PRO 22 1HD PRO 22 7.275 -7.918 0.595 149 2HD PRO 22 2HD PRO 22 8.122 -6.900 1.806 150 H ILE 23 H ILE 23 6.486 -6.171 -1.971 151 HA ILE 23 HA ILE 23 6.559 -4.215 -4.061 152 HB ILE 23 HB ILE 23 5.143 -6.800 -3.630 153 1HG1 ILE 23 1HG1 ILE 23 6.573 -7.431 -5.607 154 2HG1 ILE 23 2HG1 ILE 23 7.393 -5.877 -5.449 155 1HG2 ILE 23 1HG2 ILE 23 4.913 -4.993 -6.063 156 2HG2 ILE 23 2HG2 ILE 23 4.493 -6.719 -6.073 157 3HG2 ILE 23 3HG2 ILE 23 3.596 -5.624 -5.035 158 1HD1 ILE 23 1HD1 ILE 23 7.258 -7.941 -3.209 159 2HD1 ILE 23 2HD1 ILE 23 8.539 -7.911 -4.436 160 3HD1 ILE 23 3HD1 ILE 23 8.348 -6.533 -3.348 161 H CYS 24 H CYS 24 4.106 -5.159 -1.620 162 HA CYS 24 HA CYS 24 2.035 -3.425 -2.644 163 1HB CYS 24 1HB CYS 24 1.599 -5.324 -1.164 164 2HB CYS 24 2HB CYS 24 2.424 -4.519 0.169 165 H GLU 25 H GLU 25 4.566 -3.095 -0.093 166 HA GLU 25 HA GLU 25 3.906 -0.524 0.802 167 1HB GLU 25 1HB GLU 25 6.482 -2.092 0.576 168 2HB GLU 25 2HB GLU 25 6.474 -0.587 1.371 169 1HG GLU 25 1HG GLU 25 4.671 -1.471 2.971 170 2HG GLU 25 2HG GLU 25 4.897 -3.048 2.241 171 H LEU 26 H LEU 26 6.049 -1.631 -1.817 172 HA LEU 26 HA LEU 26 7.060 0.850 -2.649 173 1HB LEU 26 1HB LEU 26 7.917 -1.320 -3.370 174 2HB LEU 26 2HB LEU 26 6.453 -1.664 -4.279 175 HG LEU 26 HG LEU 26 7.823 0.916 -4.949 176 1HD1 LEU 26 1HD1 LEU 26 9.012 -1.777 -5.716 177 2HD1 LEU 26 2HD1 LEU 26 9.486 -0.190 -6.358 178 3HD1 LEU 26 3HD1 LEU 26 9.755 -0.566 -4.646 179 1HD2 LEU 26 1HD2 LEU 26 5.791 0.054 -6.199 180 2HD2 LEU 26 2HD2 LEU 26 7.223 0.238 -7.209 181 3HD2 LEU 26 3HD2 LEU 26 6.733 -1.374 -6.660 182 H ALA 27 H ALA 27 4.073 -0.879 -3.704 183 HA ALA 27 HA ALA 27 3.314 1.168 -5.573 184 1HB ALA 27 1HB ALA 27 1.660 -0.927 -4.139 185 2HB ALA 27 2HB ALA 27 1.080 0.136 -5.450 186 3HB ALA 27 3HB ALA 27 2.382 -1.023 -5.765 187 H VAL 28 H VAL 28 2.428 0.622 -2.114 188 HA VAL 28 HA VAL 28 0.720 2.835 -1.790 189 HB VAL 28 HB VAL 28 2.600 1.453 0.062 190 1HG1 VAL 28 1HG1 VAL 28 0.770 3.782 0.672 191 2HG1 VAL 28 2HG1 VAL 28 1.322 2.662 1.926 192 3HG1 VAL 28 3HG1 VAL 28 2.500 3.635 1.038 193 1HG2 VAL 28 1HG2 VAL 28 0.618 0.194 -0.659 194 2HG2 VAL 28 2HG2 VAL 28 0.491 0.639 1.060 195 3HG2 VAL 28 3HG2 VAL 28 -0.426 1.523 -0.152 196 H LYS 29 H LYS 29 4.325 2.760 -1.417 197 HA LYS 29 HA LYS 29 4.641 5.512 -0.942 198 1HB LYS 29 1HB LYS 29 6.442 3.374 -2.168 199 2HB LYS 29 2HB LYS 29 6.965 5.005 -1.762 200 1HG LYS 29 1HG LYS 29 6.365 4.667 0.577 201 2HG LYS 29 2HG LYS 29 5.783 3.045 0.256 202 1HD LYS 29 1HD LYS 29 8.035 2.344 -0.450 203 2HD LYS 29 2HD LYS 29 8.659 3.982 -0.206 204 1HE LYS 29 1HE LYS 29 7.502 2.157 1.983 205 2HE LYS 29 2HE LYS 29 9.207 2.459 1.656 206 1HZ LYS 29 1HZ LYS 29 8.819 4.808 2.137 207 2HZ LYS 29 2HZ LYS 29 7.309 4.447 2.693 208 3HZ LYS 29 3HZ LYS 29 8.630 3.827 3.416 209 H GLY 30 H GLY 30 4.506 3.654 -3.983 210 1HA GLY 30 1HA GLY 30 4.017 4.308 -6.098 211 2HA GLY 30 2HA GLY 30 4.977 5.775 -5.817 212 H SER 31 H SER 31 2.082 4.770 -4.031 213 HA SER 31 HA SER 31 0.247 6.227 -5.701 214 1HB SER 31 1HB SER 31 -0.205 4.041 -4.598 215 2HB SER 31 2HB SER 31 -0.183 4.849 -3.016 216 HG SER 31 HG SER 31 -2.300 4.635 -3.753 217 H CYS 32 H CYS 32 1.769 6.782 -2.494 218 HA CYS 32 HA CYS 32 0.650 9.563 -2.435 219 1HB CYS 32 1HB CYS 32 0.411 7.418 -0.324 220 2HB CYS 32 2HB CYS 32 0.063 9.107 -0.009 221 HA PRO 33 HA PRO 33 4.778 10.063 -0.700 222 1HB PRO 33 1HB PRO 33 4.630 12.552 0.462 223 2HB PRO 33 2HB PRO 33 4.641 12.288 -1.307 224 1HG PRO 33 1HG PRO 33 2.250 12.747 0.490 225 2HG PRO 33 2HG PRO 33 2.628 13.527 -1.071 226 1HD PRO 33 1HD PRO 33 0.914 11.387 -0.844 227 2HD PRO 33 2HD PRO 33 1.950 11.627 -2.282 228 HA PRO 34 HA PRO 34 4.471 8.792 3.574 229 1HB PRO 34 1HB PRO 34 6.764 10.226 4.616 230 2HB PRO 34 2HB PRO 34 6.705 8.555 4.134 231 1HG PRO 34 1HG PRO 34 7.894 10.799 2.733 232 2HG PRO 34 2HG PRO 34 8.003 9.094 2.309 233 1HD PRO 34 1HD PRO 34 6.460 11.142 1.008 234 2HD PRO 34 2HD PRO 34 6.496 9.410 0.629 235 HA PRO 35 HA PRO 35 4.363 8.640 5.852 236 1HB PRO 35 1HB PRO 35 2.514 8.736 7.824 237 2HB PRO 35 2HB PRO 35 4.054 9.628 7.953 238 1HG PRO 35 1HG PRO 35 1.375 10.706 6.999 239 2HG PRO 35 2HG PRO 35 2.423 11.372 8.285 240 1HD PRO 35 1HD PRO 35 2.523 12.306 5.714 241 2HD PRO 35 2HD PRO 35 4.003 12.141 6.709 242 H TRP 36 H TRP 36 2.637 6.925 6.285 243 HA TRP 36 HA TRP 36 0.303 7.049 4.392 244 1HB TRP 36 1HB TRP 36 2.327 4.840 4.937 245 2HB TRP 36 2HB TRP 36 0.878 4.639 3.972 246 HD1 TRP 36 HD1 TRP 36 0.775 6.186 1.719 247 HE1 TRP 36 HE1 TRP 36 2.648 6.868 0.096 248 HE3 TRP 36 HE3 TRP 36 4.766 5.644 4.847 249 HZ2 TRP 36 HZ2 TRP 36 5.486 7.311 0.212 250 HZ3 TRP 36 HZ3 TRP 36 7.038 6.236 4.072 251 HH2 TRP 36 HH2 TRP 36 7.421 7.000 1.738 252 H SER 37 H SER 37 -0.909 7.683 6.365 253 HA SER 37 HA SER 37 -1.789 5.347 7.872 254 1HB SER 37 1HB SER 37 -0.561 7.767 9.283 255 2HB SER 37 2HB SER 37 -1.471 6.466 10.051 256 HG SER 37 HG SER 37 1.011 6.235 8.684 No H/Q in entry = 256 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 -8.139 -5.590 -4.827 2 H2 ASP 1 H2 ASP 1 -6.717 -6.131 -5.386 3 H3 ASP 1 H3 ASP 1 -8.129 -6.729 -6.037 4 HA ASP 1 HA ASP 1 -8.508 -7.824 -3.853 5 1HB ASP 1 1HB ASP 1 -6.554 -9.242 -3.671 6 2HB ASP 1 2HB ASP 1 -6.779 -8.891 -5.389 7 H ILE 2 H ILE 2 -6.719 -8.179 -1.693 8 HA ILE 2 HA ILE 2 -7.118 -5.709 -0.373 9 HB ILE 2 HB ILE 2 -6.943 -8.062 0.410 10 1HG1 ILE 2 1HG1 ILE 2 -7.571 -6.885 2.094 11 2HG1 ILE 2 2HG1 ILE 2 -6.118 -7.691 2.686 12 1HG2 ILE 2 1HG2 ILE 2 -4.545 -8.469 -0.384 13 2HG2 ILE 2 2HG2 ILE 2 -4.054 -7.439 0.993 14 3HG2 ILE 2 3HG2 ILE 2 -4.884 -8.976 1.283 15 1HD1 ILE 2 1HD1 ILE 2 -4.846 -5.552 2.233 16 2HD1 ILE 2 2HD1 ILE 2 -6.424 -4.794 1.876 17 3HD1 ILE 2 3HD1 ILE 2 -6.129 -5.481 3.477 18 H CYS 3 H CYS 3 -4.296 -6.874 -2.233 19 HA CYS 3 HA CYS 3 -2.413 -4.889 -1.285 20 1HB CYS 3 1HB CYS 3 -2.685 -6.642 -3.713 21 2HB CYS 3 2HB CYS 3 -1.903 -5.097 -3.978 22 H ASP 4 H ASP 4 -4.911 -4.938 -3.837 23 HA ASP 4 HA ASP 4 -4.410 -2.247 -4.738 24 1HB ASP 4 1HB ASP 4 -5.690 -3.628 -6.191 25 2HB ASP 4 2HB ASP 4 -6.872 -3.982 -4.926 26 H ILE 5 H ILE 5 -6.659 -3.600 -2.347 27 HA ILE 5 HA ILE 5 -7.922 -1.252 -1.468 28 HB ILE 5 HB ILE 5 -7.026 -3.600 0.204 29 1HG1 ILE 5 1HG1 ILE 5 -9.634 -2.998 -1.205 30 2HG1 ILE 5 2HG1 ILE 5 -8.540 -4.254 -1.629 31 1HG2 ILE 5 1HG2 ILE 5 -7.591 -1.573 1.572 32 2HG2 ILE 5 2HG2 ILE 5 -9.219 -1.650 0.864 33 3HG2 ILE 5 3HG2 ILE 5 -8.593 -2.982 1.872 34 1HD1 ILE 5 1HD1 ILE 5 -8.957 -5.229 0.723 35 2HD1 ILE 5 2HD1 ILE 5 -10.274 -4.050 0.836 36 3HD1 ILE 5 3HD1 ILE 5 -10.302 -5.282 -0.438 37 H ALA 6 H ALA 6 -4.929 -2.706 -0.086 38 HA ALA 6 HA ALA 6 -4.318 -0.607 1.705 39 1HB ALA 6 1HB ALA 6 -2.030 -1.622 1.672 40 2HB ALA 6 2HB ALA 6 -3.282 -2.883 1.759 41 3HB ALA 6 3HB ALA 6 -2.468 -2.550 0.223 42 H ILE 7 H ILE 7 -3.482 -0.971 -1.747 43 HA ILE 7 HA ILE 7 -1.824 1.387 -1.781 44 HB ILE 7 HB ILE 7 -3.121 -0.271 -3.945 45 1HG1 ILE 7 1HG1 ILE 7 -0.177 0.060 -3.228 46 2HG1 ILE 7 2HG1 ILE 7 -1.178 -1.123 -2.399 47 1HG2 ILE 7 1HG2 ILE 7 -1.172 2.057 -4.245 48 2HG2 ILE 7 2HG2 ILE 7 -1.606 0.937 -5.545 49 3HG2 ILE 7 3HG2 ILE 7 -2.835 1.995 -4.863 50 1HD1 ILE 7 1HD1 ILE 7 -1.791 -2.176 -4.534 51 2HD1 ILE 7 2HD1 ILE 7 -0.676 -1.092 -5.390 52 3HD1 ILE 7 3HD1 ILE 7 -0.049 -2.235 -4.184 53 H ALA 8 H ALA 8 -5.294 0.833 -2.389 54 HA ALA 8 HA ALA 8 -5.862 3.462 -3.382 55 1HB ALA 8 1HB ALA 8 -7.342 1.480 -3.640 56 2HB ALA 8 2HB ALA 8 -7.639 1.464 -1.894 57 3HB ALA 8 3HB ALA 8 -8.182 2.835 -2.864 58 H GLN 9 H GLN 9 -5.772 1.919 -0.233 59 HA GLN 9 HA GLN 9 -6.635 4.195 1.347 60 1HB GLN 9 1HB GLN 9 -5.402 1.456 1.918 61 2HB GLN 9 2HB GLN 9 -5.612 2.616 3.197 62 1HG GLN 9 1HG GLN 9 -8.100 2.767 2.397 63 2HG GLN 9 2HG GLN 9 -7.747 1.299 1.485 64 2HE2 GLN 9 2HE2 GLN 9 -9.248 0.107 2.719 65 1HE2 GLN 9 1HE2 GLN 9 -9.049 -0.272 4.418 66 H CYS 10 H CYS 10 -3.738 3.015 0.022 67 HA CYS 10 HA CYS 10 -1.586 3.330 0.073 68 1HB CYS 10 1HB CYS 10 -0.684 5.626 0.467 69 2HB CYS 10 2HB CYS 10 -1.732 5.339 -0.890 70 H SER 11 H SER 11 -1.873 1.891 1.903 71 HA SER 11 HA SER 11 -0.992 3.026 4.536 72 1HB SER 11 1HB SER 11 -3.401 2.455 4.571 73 2HB SER 11 2HB SER 11 -3.019 0.839 3.967 74 HG SER 11 HG SER 11 -2.279 2.015 6.449 75 H LEU 12 H LEU 12 1.041 2.283 4.840 76 HA LEU 12 HA LEU 12 2.091 -0.124 3.613 77 1HB LEU 12 1HB LEU 12 3.079 1.532 5.957 78 2HB LEU 12 2HB LEU 12 3.985 0.255 5.130 79 HG LEU 12 HG LEU 12 3.003 2.864 3.842 80 1HD1 LEU 12 1HD1 LEU 12 5.721 1.849 4.702 81 2HD1 LEU 12 2HD1 LEU 12 5.449 3.302 3.729 82 3HD1 LEU 12 3HD1 LEU 12 4.824 3.216 5.401 83 1HD2 LEU 12 1HD2 LEU 12 4.763 0.632 2.738 84 2HD2 LEU 12 2HD2 LEU 12 3.132 1.024 2.163 85 3HD2 LEU 12 3HD2 LEU 12 4.447 2.178 1.933 86 H THR 13 H THR 13 0.673 0.694 6.811 87 HA THR 13 HA THR 13 1.140 -1.895 7.856 88 HB THR 13 HB THR 13 -1.139 0.003 8.564 89 HG1 THR 13 HG1 THR 13 0.445 0.616 10.197 90 1HG2 THR 13 1HG2 THR 13 0.150 -2.381 9.958 91 2HG2 THR 13 2HG2 THR 13 -0.758 -1.140 10.841 92 3HG2 THR 13 3HG2 THR 13 -1.563 -2.108 9.596 93 H LEU 14 H LEU 14 -1.726 -0.646 6.005 94 HA LEU 14 HA LEU 14 -3.031 -3.159 6.212 95 1HB LEU 14 1HB LEU 14 -3.824 -0.729 5.426 96 2HB LEU 14 2HB LEU 14 -3.547 -1.432 3.835 97 HG LEU 14 HG LEU 14 -5.733 -1.632 5.762 98 1HD1 LEU 14 1HD1 LEU 14 -5.906 -0.946 3.393 99 2HD1 LEU 14 2HD1 LEU 14 -5.537 -2.614 2.894 100 3HD1 LEU 14 3HD1 LEU 14 -7.018 -2.262 3.815 101 1HD2 LEU 14 1HD2 LEU 14 -4.736 -4.304 4.758 102 2HD2 LEU 14 2HD2 LEU 14 -5.054 -3.808 6.438 103 3HD2 LEU 14 3HD2 LEU 14 -6.388 -3.985 5.306 104 H CYS 15 H CYS 15 -0.361 -2.092 4.179 105 HA CYS 15 HA CYS 15 -0.687 -4.054 2.098 106 1HB CYS 15 1HB CYS 15 1.822 -2.713 3.182 107 2HB CYS 15 2HB CYS 15 1.876 -3.987 1.998 108 H GLN 16 H GLN 16 0.381 -4.313 5.449 109 HA GLN 16 HA GLN 16 1.725 -6.807 5.163 110 1HB GLN 16 1HB GLN 16 0.319 -5.708 7.621 111 2HB GLN 16 2HB GLN 16 1.494 -7.027 7.558 112 1HG GLN 16 1HG GLN 16 3.161 -5.381 6.530 113 2HG GLN 16 2HG GLN 16 1.999 -4.090 6.850 114 2HE2 GLN 16 2HE2 GLN 16 3.521 -6.886 8.574 115 1HE2 GLN 16 1HE2 GLN 16 3.770 -5.999 10.071 116 H ASP 17 H ASP 17 -1.683 -6.129 4.899 117 HA ASP 17 HA ASP 17 -2.579 -8.805 5.657 118 1HB ASP 17 1HB ASP 17 -3.793 -6.545 4.016 119 2HB ASP 17 2HB ASP 17 -4.547 -8.117 4.204 120 H CYS 18 H CYS 18 -1.198 -7.277 2.752 121 HA CYS 18 HA CYS 18 -2.553 -9.069 0.940 122 1HB CYS 18 1HB CYS 18 -1.960 -6.777 0.269 123 2HB CYS 18 2HB CYS 18 -0.249 -7.134 0.488 124 H GLU 19 H GLU 19 -1.503 -10.526 -0.560 125 HA GLU 19 HA GLU 19 -0.024 -12.622 0.023 126 1HB GLU 19 1HB GLU 19 -0.918 -12.178 -2.171 127 2HB GLU 19 2HB GLU 19 0.201 -10.836 -2.351 128 1HG GLU 19 1HG GLU 19 1.925 -13.022 -1.981 129 2HG GLU 19 2HG GLU 19 0.588 -13.696 -2.900 130 H ASN 20 H ASN 20 1.524 -9.520 -1.071 131 HA ASN 20 HA ASN 20 4.036 -10.245 0.278 132 1HB ASN 20 1HB ASN 20 5.045 -8.861 -1.362 133 2HB ASN 20 2HB ASN 20 4.114 -10.060 -2.236 134 2HD2 ASN 20 2HD2 ASN 20 2.307 -9.343 -3.425 135 1HD2 ASN 20 1HD2 ASN 20 1.980 -7.632 -3.728 136 H THR 21 H THR 21 5.009 -8.577 1.510 137 HA THR 21 HA THR 21 3.567 -6.120 2.031 138 HB THR 21 HB THR 21 6.132 -5.950 3.100 139 HG1 THR 21 HG1 THR 21 6.218 -8.171 4.083 140 1HG2 THR 21 1HG2 THR 21 3.972 -5.522 4.221 141 2HG2 THR 21 2HG2 THR 21 3.695 -7.283 4.297 142 3HG2 THR 21 3HG2 THR 21 5.040 -6.544 5.205 143 HA PRO 22 HA PRO 22 7.283 -4.091 0.298 144 1HB PRO 22 1HB PRO 22 9.111 -5.376 -1.467 145 2HB PRO 22 2HB PRO 22 9.290 -5.196 0.309 146 1HG PRO 22 1HG PRO 22 8.162 -7.530 -1.261 147 2HG PRO 22 2HG PRO 22 9.324 -7.567 0.098 148 1HD PRO 22 1HD PRO 22 6.736 -8.063 0.544 149 2HD PRO 22 2HD PRO 22 7.646 -6.997 1.654 150 H ILE 23 H ILE 23 5.925 -6.196 -2.320 151 HA ILE 23 HA ILE 23 6.390 -4.188 -4.357 152 HB ILE 23 HB ILE 23 4.526 -6.513 -4.209 153 1HG1 ILE 23 1HG1 ILE 23 6.030 -7.323 -6.025 154 2HG1 ILE 23 2HG1 ILE 23 7.128 -5.986 -5.667 155 1HG2 ILE 23 1HG2 ILE 23 4.989 -4.619 -6.507 156 2HG2 ILE 23 2HG2 ILE 23 4.139 -6.181 -6.606 157 3HG2 ILE 23 3HG2 ILE 23 3.460 -4.881 -5.630 158 1HD1 ILE 23 1HD1 ILE 23 6.313 -8.074 -3.601 159 2HD1 ILE 23 2HD1 ILE 23 7.681 -8.271 -4.707 160 3HD1 ILE 23 3HD1 ILE 23 7.704 -6.950 -3.545 161 H CYS 24 H CYS 24 3.836 -4.996 -2.049 162 HA CYS 24 HA CYS 24 1.932 -3.024 -2.900 163 1HB CYS 24 1HB CYS 24 1.344 -4.979 -1.612 164 2HB CYS 24 2HB CYS 24 2.249 -4.433 -0.221 165 H GLU 25 H GLU 25 4.463 -3.056 -0.337 166 HA GLU 25 HA GLU 25 4.144 -0.486 0.716 167 1HB GLU 25 1HB GLU 25 6.549 -2.217 0.103 168 2HB GLU 25 2HB GLU 25 6.783 -0.667 0.751 169 1HG GLU 25 1HG GLU 25 5.026 -1.617 2.627 170 2HG GLU 25 2HG GLU 25 5.863 -3.101 2.151 171 H LEU 26 H LEU 26 6.092 -1.562 -2.084 172 HA LEU 26 HA LEU 26 7.161 0.911 -2.738 173 1HB LEU 26 1HB LEU 26 7.801 -1.358 -3.541 174 2HB LEU 26 2HB LEU 26 6.522 -1.266 -4.739 175 HG LEU 26 HG LEU 26 8.906 -0.658 -5.320 176 1HD1 LEU 26 1HD1 LEU 26 6.930 -0.184 -6.785 177 2HD1 LEU 26 2HD1 LEU 26 6.857 1.455 -6.101 178 3HD1 LEU 26 3HD1 LEU 26 8.279 0.928 -7.018 179 1HD2 LEU 26 1HD2 LEU 26 9.442 0.811 -3.436 180 2HD2 LEU 26 2HD2 LEU 26 9.780 1.536 -5.013 181 3HD2 LEU 26 3HD2 LEU 26 8.354 2.054 -4.112 182 H ALA 27 H ALA 27 4.213 -0.670 -4.004 183 HA ALA 27 HA ALA 27 3.383 1.471 -5.676 184 1HB ALA 27 1HB ALA 27 1.765 -0.673 -4.269 185 2HB ALA 27 2HB ALA 27 1.157 0.396 -5.565 186 3HB ALA 27 3HB ALA 27 2.462 -0.764 -5.898 187 H VAL 28 H VAL 28 2.674 0.823 -2.201 188 HA VAL 28 HA VAL 28 0.877 2.966 -1.815 189 HB VAL 28 HB VAL 28 2.716 1.519 0.026 190 1HG1 VAL 28 1HG1 VAL 28 0.871 3.842 0.683 191 2HG1 VAL 28 2HG1 VAL 28 1.406 2.678 1.905 192 3HG1 VAL 28 3HG1 VAL 28 2.595 3.680 1.076 193 1HG2 VAL 28 1HG2 VAL 28 0.698 0.317 -0.773 194 2HG2 VAL 28 2HG2 VAL 28 0.593 0.683 0.964 195 3HG2 VAL 28 3HG2 VAL 28 -0.308 1.644 -0.199 196 H LYS 29 H LYS 29 4.522 2.905 -1.406 197 HA LYS 29 HA LYS 29 4.782 5.609 -0.859 198 1HB LYS 29 1HB LYS 29 6.602 3.638 -2.342 199 2HB LYS 29 2HB LYS 29 7.028 5.272 -1.923 200 1HG LYS 29 1HG LYS 29 6.310 4.337 0.559 201 2HG LYS 29 2HG LYS 29 6.899 2.857 -0.198 202 1HD LYS 29 1HD LYS 29 8.936 4.148 -0.980 203 2HD LYS 29 2HD LYS 29 8.415 5.528 -0.016 204 1HE LYS 29 1HE LYS 29 9.171 2.761 1.036 205 2HE LYS 29 2HE LYS 29 10.220 4.175 1.021 206 1HZ LYS 29 1HZ LYS 29 7.706 4.134 2.540 207 2HZ LYS 29 2HZ LYS 29 9.147 3.737 3.169 208 3HZ LYS 29 3HZ LYS 29 8.934 5.255 2.619 209 H GLY 30 H GLY 30 4.556 3.936 -3.989 210 1HA GLY 30 1HA GLY 30 3.874 4.673 -6.033 211 2HA GLY 30 2HA GLY 30 4.855 6.120 -5.765 212 H SER 31 H SER 31 2.064 4.992 -3.888 213 HA SER 31 HA SER 31 0.141 6.433 -5.421 214 1HB SER 31 1HB SER 31 -0.161 4.215 -4.275 215 2HB SER 31 2HB SER 31 -0.153 5.049 -2.714 216 HG SER 31 HG SER 31 -2.277 4.755 -3.343 217 H CYS 32 H CYS 32 1.387 6.841 -2.045 218 HA CYS 32 HA CYS 32 0.316 9.647 -2.023 219 1HB CYS 32 1HB CYS 32 0.086 7.530 0.098 220 2HB CYS 32 2HB CYS 32 -0.326 9.189 0.417 221 HA PRO 33 HA PRO 33 4.345 10.356 -0.390 222 1HB PRO 33 1HB PRO 33 4.101 12.697 0.993 223 2HB PRO 33 2HB PRO 33 3.922 12.607 -0.783 224 1HG PRO 33 1HG PRO 33 1.712 12.579 1.302 225 2HG PRO 33 2HG PRO 33 1.820 13.606 -0.157 226 1HD PRO 33 1HD PRO 33 0.379 11.291 -0.106 227 2HD PRO 33 2HD PRO 33 1.277 11.783 -1.572 228 HA PRO 34 HA PRO 34 4.444 8.916 3.875 229 1HB PRO 34 1HB PRO 34 6.970 9.743 4.661 230 2HB PRO 34 2HB PRO 34 6.712 8.402 3.585 231 1HG PRO 34 1HG PRO 34 7.314 11.237 2.802 232 2HG PRO 34 2HG PRO 34 8.071 9.735 2.173 233 1HD PRO 34 1HD PRO 34 6.128 11.112 0.876 234 2HD PRO 34 2HD PRO 34 6.208 9.330 0.807 235 HA PRO 35 HA PRO 35 4.634 8.863 6.096 236 1HB PRO 35 1HB PRO 35 3.103 9.260 8.332 237 2HB PRO 35 2HB PRO 35 4.813 9.734 8.209 238 1HG PRO 35 1HG PRO 35 2.372 11.457 7.832 239 2HG PRO 35 2HG PRO 35 3.828 11.832 8.792 240 1HD PRO 35 1HD PRO 35 3.492 12.784 6.243 241 2HD PRO 35 2HD PRO 35 5.090 12.315 6.865 242 H TRP 36 H TRP 36 3.114 7.157 6.091 243 HA TRP 36 HA TRP 36 0.630 7.683 4.564 244 1HB TRP 36 1HB TRP 36 2.077 5.147 5.382 245 2HB TRP 36 2HB TRP 36 0.580 5.195 4.454 246 HD1 TRP 36 HD1 TRP 36 0.668 6.285 2.017 247 HE1 TRP 36 HE1 TRP 36 2.564 6.796 0.353 248 HE3 TRP 36 HE3 TRP 36 4.676 5.537 5.094 249 HZ2 TRP 36 HZ2 TRP 36 5.425 7.132 0.462 250 HZ3 TRP 36 HZ3 TRP 36 6.973 5.787 4.236 251 HH2 TRP 36 HH2 TRP 36 7.346 6.618 1.898 252 H SER 37 H SER 37 0.238 8.950 6.754 253 HA SER 37 HA SER 37 -1.244 9.268 8.392 254 1HB SER 37 1HB SER 37 -2.475 6.581 7.672 255 2HB SER 37 2HB SER 37 -3.204 7.892 8.591 256 HG SER 37 HG SER 37 -2.932 7.613 5.878 No H/Q in entry = 256 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 -7.630 -6.124 -5.047 2 H2 ASP 1 H2 ASP 1 -8.657 -7.266 -5.634 3 H3 ASP 1 H3 ASP 1 -9.208 -6.092 -4.538 4 HA ASP 1 HA ASP 1 -8.878 -8.061 -3.289 5 1HB ASP 1 1HB ASP 1 -6.705 -9.138 -3.235 6 2HB ASP 1 2HB ASP 1 -7.140 -9.037 -4.934 7 H ILE 2 H ILE 2 -7.263 -8.033 -1.276 8 HA ILE 2 HA ILE 2 -7.462 -5.505 -0.054 9 HB ILE 2 HB ILE 2 -7.298 -7.778 0.928 10 1HG1 ILE 2 1HG1 ILE 2 -5.963 -7.290 2.922 11 2HG1 ILE 2 2HG1 ILE 2 -5.406 -5.775 2.195 12 1HG2 ILE 2 1HG2 ILE 2 -5.183 -8.502 -0.388 13 2HG2 ILE 2 2HG2 ILE 2 -4.257 -7.483 0.726 14 3HG2 ILE 2 3HG2 ILE 2 -5.144 -8.877 1.340 15 1HD1 ILE 2 1HD1 ILE 2 -8.342 -6.550 2.589 16 2HD1 ILE 2 2HD1 ILE 2 -7.379 -5.739 3.824 17 3HD1 ILE 2 3HD1 ILE 2 -7.671 -4.920 2.272 18 H CYS 3 H CYS 3 -4.787 -6.806 -2.074 19 HA CYS 3 HA CYS 3 -2.842 -4.872 -1.161 20 1HB CYS 3 1HB CYS 3 -2.661 -7.068 -2.690 21 2HB CYS 3 2HB CYS 3 -2.858 -5.899 -4.006 22 H ASP 4 H ASP 4 -5.406 -4.906 -3.633 23 HA ASP 4 HA ASP 4 -4.779 -2.296 -4.727 24 1HB ASP 4 1HB ASP 4 -6.367 -3.808 -5.921 25 2HB ASP 4 2HB ASP 4 -7.498 -3.672 -4.572 26 H ILE 5 H ILE 5 -6.858 -3.504 -2.107 27 HA ILE 5 HA ILE 5 -8.005 -1.054 -1.356 28 HB ILE 5 HB ILE 5 -7.295 -3.383 0.474 29 1HG1 ILE 5 1HG1 ILE 5 -9.724 -2.687 -1.193 30 2HG1 ILE 5 2HG1 ILE 5 -8.700 -4.050 -1.428 31 1HG2 ILE 5 1HG2 ILE 5 -7.812 -1.304 1.716 32 2HG2 ILE 5 2HG2 ILE 5 -9.392 -1.267 0.897 33 3HG2 ILE 5 3HG2 ILE 5 -8.954 -2.614 1.984 34 1HD1 ILE 5 1HD1 ILE 5 -9.521 -4.943 0.820 35 2HD1 ILE 5 2HD1 ILE 5 -10.670 -3.586 0.841 36 3HD1 ILE 5 3HD1 ILE 5 -10.753 -4.790 -0.445 37 H ALA 6 H ALA 6 -5.087 -2.583 0.104 38 HA ALA 6 HA ALA 6 -4.308 -0.399 1.735 39 1HB ALA 6 1HB ALA 6 -2.063 -1.496 1.658 40 2HB ALA 6 2HB ALA 6 -3.318 -2.750 1.788 41 3HB ALA 6 3HB ALA 6 -2.556 -2.432 0.229 42 H ILE 7 H ILE 7 -3.600 -1.036 -1.733 43 HA ILE 7 HA ILE 7 -1.883 1.232 -1.959 44 HB ILE 7 HB ILE 7 -3.351 -0.432 -4.015 45 1HG1 ILE 7 1HG1 ILE 7 -0.369 -0.117 -3.390 46 2HG1 ILE 7 2HG1 ILE 7 -1.356 -1.321 -2.579 47 1HG2 ILE 7 1HG2 ILE 7 -1.356 1.807 -4.388 48 2HG2 ILE 7 2HG2 ILE 7 -1.874 0.736 -5.697 49 3HG2 ILE 7 3HG2 ILE 7 -3.033 1.844 -4.961 50 1HD1 ILE 7 1HD1 ILE 7 -1.939 -2.330 -4.777 51 2HD1 ILE 7 2HD1 ILE 7 -0.812 -1.202 -5.568 52 3HD1 ILE 7 3HD1 ILE 7 -0.202 -2.368 -4.382 53 H ALA 8 H ALA 8 -5.373 0.898 -2.495 54 HA ALA 8 HA ALA 8 -5.825 3.569 -3.377 55 1HB ALA 8 1HB ALA 8 -7.482 1.660 -3.493 56 2HB ALA 8 2HB ALA 8 -7.646 1.719 -1.738 57 3HB ALA 8 3HB ALA 8 -8.150 3.106 -2.705 58 H GLN 9 H GLN 9 -5.717 2.026 -0.233 59 HA GLN 9 HA GLN 9 -6.512 4.366 1.284 60 1HB GLN 9 1HB GLN 9 -5.642 1.529 1.960 61 2HB GLN 9 2HB GLN 9 -5.897 2.701 3.217 62 1HG GLN 9 1HG GLN 9 -8.208 3.178 2.010 63 2HG GLN 9 2HG GLN 9 -7.873 1.697 1.117 64 2HE2 GLN 9 2HE2 GLN 9 -9.895 0.976 1.976 65 1HE2 GLN 9 1HE2 GLN 9 -10.075 0.471 3.656 66 H CYS 10 H CYS 10 -3.586 3.107 0.105 67 HA CYS 10 HA CYS 10 -1.411 3.423 0.387 68 1HB CYS 10 1HB CYS 10 -0.598 5.750 0.842 69 2HB CYS 10 2HB CYS 10 -1.498 5.435 -0.619 70 H SER 11 H SER 11 -1.546 2.045 2.179 71 HA SER 11 HA SER 11 -0.793 3.226 4.786 72 1HB SER 11 1HB SER 11 -3.222 2.859 4.863 73 2HB SER 11 2HB SER 11 -3.026 1.205 4.278 74 HG SER 11 HG SER 11 -3.273 1.427 6.579 75 H LEU 12 H LEU 12 1.042 2.172 5.426 76 HA LEU 12 HA LEU 12 1.907 -0.241 3.995 77 1HB LEU 12 1HB LEU 12 3.216 1.248 6.301 78 2HB LEU 12 2HB LEU 12 3.850 -0.165 5.472 79 HG LEU 12 HG LEU 12 3.837 2.674 4.621 80 1HD1 LEU 12 1HD1 LEU 12 5.584 0.235 4.051 81 2HD1 LEU 12 2HD1 LEU 12 5.901 1.807 3.364 82 3HD1 LEU 12 3HD1 LEU 12 5.936 1.614 5.122 83 1HD2 LEU 12 1HD2 LEU 12 3.312 0.517 2.557 84 2HD2 LEU 12 2HD2 LEU 12 2.376 1.981 2.883 85 3HD2 LEU 12 3HD2 LEU 12 3.987 2.095 2.182 86 H THR 13 H THR 13 0.403 0.551 7.151 87 HA THR 13 HA THR 13 0.745 -2.068 8.209 88 HB THR 13 HB THR 13 -1.574 -0.115 8.536 89 HG1 THR 13 HG1 THR 13 0.710 -0.611 10.175 90 1HG2 THR 13 1HG2 THR 13 -2.182 -2.447 9.264 91 2HG2 THR 13 2HG2 THR 13 -0.798 -2.427 10.375 92 3HG2 THR 13 3HG2 THR 13 -2.157 -1.287 10.569 93 H LEU 14 H LEU 14 -1.890 -0.771 6.122 94 HA LEU 14 HA LEU 14 -3.286 -3.246 6.111 95 1HB LEU 14 1HB LEU 14 -3.860 -0.743 5.327 96 2HB LEU 14 2HB LEU 14 -3.514 -1.418 3.742 97 HG LEU 14 HG LEU 14 -5.550 -2.239 5.882 98 1HD1 LEU 14 1HD1 LEU 14 -5.974 -0.163 4.540 99 2HD1 LEU 14 2HD1 LEU 14 -5.965 -1.154 3.072 100 3HD1 LEU 14 3HD1 LEU 14 -7.205 -1.424 4.310 101 1HD2 LEU 14 1HD2 LEU 14 -4.952 -3.471 3.178 102 2HD2 LEU 14 2HD2 LEU 14 -4.876 -4.265 4.781 103 3HD2 LEU 14 3HD2 LEU 14 -6.441 -3.736 4.124 104 H CYS 15 H CYS 15 -0.418 -2.154 4.402 105 HA CYS 15 HA CYS 15 -0.655 -3.959 2.150 106 1HB CYS 15 1HB CYS 15 1.689 -2.451 3.345 107 2HB CYS 15 2HB CYS 15 1.946 -3.722 2.179 108 H GLN 16 H GLN 16 0.171 -4.467 5.513 109 HA GLN 16 HA GLN 16 1.802 -6.803 5.113 110 1HB GLN 16 1HB GLN 16 0.131 -6.057 7.529 111 2HB GLN 16 2HB GLN 16 1.471 -7.214 7.467 112 1HG GLN 16 1HG GLN 16 3.005 -5.366 6.744 113 2HG GLN 16 2HG GLN 16 1.677 -4.221 6.918 114 2HE2 GLN 16 2HE2 GLN 16 3.748 -6.485 8.762 115 1HE2 GLN 16 1HE2 GLN 16 3.561 -5.606 10.270 116 H ASP 17 H ASP 17 -1.648 -6.292 4.811 117 HA ASP 17 HA ASP 17 -2.351 -9.103 5.095 118 1HB ASP 17 1HB ASP 17 -3.792 -6.727 3.814 119 2HB ASP 17 2HB ASP 17 -4.399 -8.389 3.877 120 H CYS 18 H CYS 18 -1.040 -7.041 2.547 121 HA CYS 18 HA CYS 18 -1.984 -8.725 0.342 122 1HB CYS 18 1HB CYS 18 -1.702 -6.426 -0.100 123 2HB CYS 18 2HB CYS 18 -0.018 -6.402 0.445 124 H GLU 19 H GLU 19 -1.005 -10.434 -0.463 125 HA GLU 19 HA GLU 19 0.788 -12.079 0.614 126 1HB GLU 19 1HB GLU 19 -0.385 -12.715 -1.305 127 2HB GLU 19 2HB GLU 19 0.286 -11.399 -2.246 128 1HG GLU 19 1HG GLU 19 1.158 -13.664 -2.851 129 2HG GLU 19 2HG GLU 19 2.399 -12.478 -2.481 130 H ASN 20 H ASN 20 1.862 -9.734 -1.903 131 HA ASN 20 HA ASN 20 4.626 -9.914 -0.869 132 1HB ASN 20 1HB ASN 20 5.117 -8.594 -2.888 133 2HB ASN 20 2HB ASN 20 4.660 -10.247 -3.139 134 2HD2 ASN 20 2HD2 ASN 20 2.704 -7.174 -2.847 135 1HD2 ASN 20 1HD2 ASN 20 1.897 -7.446 -4.394 136 H THR 21 H THR 21 3.675 -8.893 1.119 137 HA THR 21 HA THR 21 2.905 -6.359 1.473 138 HB THR 21 HB THR 21 5.078 -7.735 2.972 139 HG1 THR 21 HG1 THR 21 2.348 -8.118 2.713 140 1HG2 THR 21 1HG2 THR 21 3.201 -5.515 3.876 141 2HG2 THR 21 2HG2 THR 21 4.159 -6.534 4.967 142 3HG2 THR 21 3HG2 THR 21 4.966 -5.461 3.824 143 HA PRO 22 HA PRO 22 7.071 -4.113 1.013 144 1HB PRO 22 1HB PRO 22 9.158 -5.283 -0.425 145 2HB PRO 22 2HB PRO 22 8.987 -5.381 1.348 146 1HG PRO 22 1HG PRO 22 8.064 -7.406 -0.716 147 2HG PRO 22 2HG PRO 22 9.013 -7.714 0.774 148 1HD PRO 22 1HD PRO 22 6.374 -8.133 0.749 149 2HD PRO 22 2HD PRO 22 7.124 -7.314 2.145 150 H ILE 23 H ILE 23 5.995 -6.227 -1.653 151 HA ILE 23 HA ILE 23 6.636 -4.369 -3.778 152 HB ILE 23 HB ILE 23 4.703 -6.580 -3.530 153 1HG1 ILE 23 1HG1 ILE 23 7.215 -7.034 -3.613 154 2HG1 ILE 23 2HG1 ILE 23 6.194 -7.778 -4.828 155 1HG2 ILE 23 1HG2 ILE 23 5.117 -4.724 -5.854 156 2HG2 ILE 23 2HG2 ILE 23 4.473 -6.381 -6.048 157 3HG2 ILE 23 3HG2 ILE 23 3.599 -5.196 -5.074 158 1HD1 ILE 23 1HD1 ILE 23 7.804 -5.291 -5.353 159 2HD1 ILE 23 2HD1 ILE 23 8.279 -6.942 -5.780 160 3HD1 ILE 23 3HD1 ILE 23 6.850 -6.234 -6.534 161 H CYS 24 H CYS 24 3.857 -5.042 -1.629 162 HA CYS 24 HA CYS 24 2.050 -3.105 -2.751 163 1HB CYS 24 1HB CYS 24 1.302 -4.939 -1.389 164 2HB CYS 24 2HB CYS 24 2.150 -4.363 0.020 165 H GLU 25 H GLU 25 4.431 -3.006 -0.080 166 HA GLU 25 HA GLU 25 4.017 -0.349 0.728 167 1HB GLU 25 1HB GLU 25 6.407 -2.202 0.754 168 2HB GLU 25 2HB GLU 25 6.472 -0.723 1.596 169 1HG GLU 25 1HG GLU 25 4.391 -1.371 2.897 170 2HG GLU 25 2HG GLU 25 4.468 -2.956 2.169 171 H LEU 26 H LEU 26 6.158 -1.681 -1.814 172 HA LEU 26 HA LEU 26 7.335 0.768 -2.641 173 1HB LEU 26 1HB LEU 26 8.085 -1.494 -3.244 174 2HB LEU 26 2HB LEU 26 6.721 -1.670 -4.325 175 HG LEU 26 HG LEU 26 9.010 -0.963 -5.161 176 1HD1 LEU 26 1HD1 LEU 26 7.014 -1.113 -6.600 177 2HD1 LEU 26 2HD1 LEU 26 6.595 0.567 -6.210 178 3HD1 LEU 26 3HD1 LEU 26 8.082 0.206 -7.100 179 1HD2 LEU 26 1HD2 LEU 26 9.437 0.965 -3.715 180 2HD2 LEU 26 2HD2 LEU 26 9.542 1.357 -5.438 181 3HD2 LEU 26 3HD2 LEU 26 8.123 1.859 -4.518 182 H ALA 27 H ALA 27 4.440 -0.972 -3.873 183 HA ALA 27 HA ALA 27 3.649 0.911 -5.796 184 1HB ALA 27 1HB ALA 27 2.690 -1.351 -5.594 185 2HB ALA 27 2HB ALA 27 1.426 -0.103 -5.623 186 3HB ALA 27 3HB ALA 27 1.872 -0.886 -4.092 187 H VAL 28 H VAL 28 2.706 0.668 -2.347 188 HA VAL 28 HA VAL 28 0.997 2.863 -2.256 189 HB VAL 28 HB VAL 28 2.578 1.423 -0.179 190 1HG1 VAL 28 1HG1 VAL 28 0.976 3.972 0.150 191 2HG1 VAL 28 2HG1 VAL 28 0.967 2.763 1.437 192 3HG1 VAL 28 3HG1 VAL 28 2.506 3.429 0.894 193 1HG2 VAL 28 1HG2 VAL 28 0.521 0.377 -1.167 194 2HG2 VAL 28 2HG2 VAL 28 0.324 0.762 0.564 195 3HG2 VAL 28 3HG2 VAL 28 -0.372 1.828 -0.658 196 H LYS 29 H LYS 29 4.632 2.823 -1.565 197 HA LYS 29 HA LYS 29 4.823 5.544 -1.081 198 1HB LYS 29 1HB LYS 29 6.734 3.504 -2.460 199 2HB LYS 29 2HB LYS 29 7.061 5.192 -2.390 200 1HG LYS 29 1HG LYS 29 6.912 5.075 0.102 201 2HG LYS 29 2HG LYS 29 6.867 3.294 -0.051 202 1HD LYS 29 1HD LYS 29 9.074 3.306 -1.003 203 2HD LYS 29 2HD LYS 29 9.000 5.044 -1.338 204 1HE LYS 29 1HE LYS 29 8.942 5.590 1.061 205 2HE LYS 29 2HE LYS 29 9.025 3.865 1.482 206 1HZ LYS 29 1HZ LYS 29 11.002 5.120 -0.226 207 2HZ LYS 29 2HZ LYS 29 11.189 5.146 1.417 208 3HZ LYS 29 3HZ LYS 29 11.084 3.699 0.629 209 H GLY 30 H GLY 30 4.087 3.988 -4.149 210 1HA GLY 30 1HA GLY 30 4.120 4.878 -6.308 211 2HA GLY 30 2HA GLY 30 4.628 6.454 -5.698 212 H SER 31 H SER 31 2.066 5.236 -3.804 213 HA SER 31 HA SER 31 -0.085 6.261 -5.603 214 1HB SER 31 1HB SER 31 -0.357 4.613 -3.070 215 2HB SER 31 2HB SER 31 -1.576 4.923 -4.315 216 HG SER 31 HG SER 31 0.899 3.549 -4.700 217 H CYS 32 H CYS 32 1.625 6.958 -2.607 218 HA CYS 32 HA CYS 32 0.166 9.486 -2.361 219 1HB CYS 32 1HB CYS 32 0.262 7.332 -0.256 220 2HB CYS 32 2HB CYS 32 0.068 9.004 0.228 221 HA PRO 33 HA PRO 33 4.428 10.451 -1.698 222 1HB PRO 33 1HB PRO 33 4.321 12.755 -0.212 223 2HB PRO 33 2HB PRO 33 3.944 12.667 -1.954 224 1HG PRO 33 1HG PRO 33 2.000 12.627 0.362 225 2HG PRO 33 2HG PRO 33 1.913 13.590 -1.144 226 1HD PRO 33 1HD PRO 33 0.526 11.276 -0.839 227 2HD PRO 33 2HD PRO 33 1.262 11.711 -2.410 228 HA PRO 34 HA PRO 34 4.862 8.626 2.482 229 1HB PRO 34 1HB PRO 34 7.773 8.781 1.712 230 2HB PRO 34 2HB PRO 34 6.894 7.393 2.400 231 1HG PRO 34 1HG PRO 34 7.541 7.393 -0.232 232 2HG PRO 34 2HG PRO 34 5.886 6.914 0.305 233 1HD PRO 34 1HD PRO 34 6.706 9.622 -0.729 234 2HD PRO 34 2HD PRO 34 5.412 8.527 -1.299 235 HA PRO 35 HA PRO 35 5.933 8.700 4.634 236 1HB PRO 35 1HB PRO 35 5.311 9.902 6.992 237 2HB PRO 35 2HB PRO 35 6.991 9.827 6.342 238 1HG PRO 35 1HG PRO 35 5.009 12.116 6.137 239 2HG PRO 35 2HG PRO 35 6.727 12.187 6.666 240 1HD PRO 35 1HD PRO 35 5.973 12.754 4.096 241 2HD PRO 35 2HD PRO 35 7.500 11.898 4.454 242 H TRP 36 H TRP 36 4.086 7.621 5.440 243 HA TRP 36 HA TRP 36 1.523 8.674 4.420 244 1HB TRP 36 1HB TRP 36 2.112 5.984 5.638 245 2HB TRP 36 2HB TRP 36 0.675 6.476 4.730 246 HD1 TRP 36 HD1 TRP 36 0.921 6.485 2.042 247 HE1 TRP 36 HE1 TRP 36 2.675 5.714 0.433 248 HE3 TRP 36 HE3 TRP 36 4.692 5.546 5.392 249 HZ2 TRP 36 HZ2 TRP 36 5.017 4.099 0.700 250 HZ3 TRP 36 HZ3 TRP 36 6.712 4.370 4.643 251 HH2 TRP 36 HH2 TRP 36 6.917 3.635 2.294 252 H SER 37 H SER 37 2.007 10.380 6.157 253 HA SER 37 HA SER 37 0.894 11.479 7.796 254 1HB SER 37 1HB SER 37 -0.351 8.934 8.884 255 2HB SER 37 2HB SER 37 -0.868 10.603 9.081 256 HG SER 37 HG SER 37 -1.343 10.643 6.812 No H/Q in entry = 256 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 -6.938 -7.215 -4.948 2 H2 ASP 1 H2 ASP 1 -7.903 -8.531 -5.314 3 H3 ASP 1 H3 ASP 1 -8.622 -7.136 -4.828 4 HA ASP 1 HA ASP 1 -8.550 -8.653 -3.015 5 1HB ASP 1 1HB ASP 1 -6.488 -9.698 -2.300 6 2HB ASP 1 2HB ASP 1 -6.532 -9.882 -4.051 7 H ILE 2 H ILE 2 -6.609 -8.164 -1.052 8 HA ILE 2 HA ILE 2 -7.095 -5.519 -0.055 9 HB ILE 2 HB ILE 2 -6.782 -7.642 1.170 10 1HG1 ILE 2 1HG1 ILE 2 -6.797 -6.067 2.665 11 2HG1 ILE 2 2HG1 ILE 2 -5.353 -7.019 2.980 12 1HG2 ILE 2 1HG2 ILE 2 -4.690 -8.489 -0.058 13 2HG2 ILE 2 2HG2 ILE 2 -3.823 -7.273 0.914 14 3HG2 ILE 2 3HG2 ILE 2 -4.658 -8.616 1.701 15 1HD1 ILE 2 1HD1 ILE 2 -4.024 -5.224 1.808 16 2HD1 ILE 2 2HD1 ILE 2 -5.545 -4.265 1.823 17 3HD1 ILE 2 3HD1 ILE 2 -4.811 -4.775 3.343 18 H CYS 3 H CYS 3 -4.223 -6.937 -1.815 19 HA CYS 3 HA CYS 3 -2.452 -4.808 -1.272 20 1HB CYS 3 1HB CYS 3 -2.743 -6.836 -3.428 21 2HB CYS 3 2HB CYS 3 -2.294 -5.284 -4.106 22 H ASP 4 H ASP 4 -5.057 -4.922 -3.649 23 HA ASP 4 HA ASP 4 -4.461 -2.343 -4.756 24 1HB ASP 4 1HB ASP 4 -5.815 -4.193 -5.803 25 2HB ASP 4 2HB ASP 4 -7.153 -3.767 -4.716 26 H ILE 5 H ILE 5 -6.352 -3.435 -2.016 27 HA ILE 5 HA ILE 5 -7.803 -1.025 -1.454 28 HB ILE 5 HB ILE 5 -6.969 -3.280 0.419 29 1HG1 ILE 5 1HG1 ILE 5 -9.441 -2.807 -1.246 30 2HG1 ILE 5 2HG1 ILE 5 -8.261 -4.065 -1.467 31 1HG2 ILE 5 1HG2 ILE 5 -7.626 -1.221 1.612 32 2HG2 ILE 5 2HG2 ILE 5 -9.218 -1.388 0.810 33 3HG2 ILE 5 3HG2 ILE 5 -8.618 -2.646 1.918 34 1HD1 ILE 5 1HD1 ILE 5 -8.909 -4.809 0.967 35 2HD1 ILE 5 2HD1 ILE 5 -10.335 -3.782 0.705 36 3HD1 ILE 5 3HD1 ILE 5 -10.009 -5.154 -0.379 37 H ALA 6 H ALA 6 -4.869 -2.508 -0.041 38 HA ALA 6 HA ALA 6 -4.170 -0.438 1.739 39 1HB ALA 6 1HB ALA 6 -1.977 -1.566 1.736 40 2HB ALA 6 2HB ALA 6 -3.270 -2.780 1.742 41 3HB ALA 6 3HB ALA 6 -2.407 -2.433 0.239 42 H ILE 7 H ILE 7 -3.316 -0.992 -1.671 43 HA ILE 7 HA ILE 7 -1.620 1.285 -1.976 44 HB ILE 7 HB ILE 7 -3.168 -0.423 -3.929 45 1HG1 ILE 7 1HG1 ILE 7 -0.177 -0.218 -3.325 46 2HG1 ILE 7 2HG1 ILE 7 -1.196 -1.352 -2.474 47 1HG2 ILE 7 1HG2 ILE 7 -2.695 1.860 -4.918 48 2HG2 ILE 7 2HG2 ILE 7 -0.974 1.580 -4.560 49 3HG2 ILE 7 3HG2 ILE 7 -1.823 0.560 -5.719 50 1HD1 ILE 7 1HD1 ILE 7 -1.869 -2.406 -4.625 51 2HD1 ILE 7 2HD1 ILE 7 -0.715 -1.363 -5.471 52 3HD1 ILE 7 3HD1 ILE 7 -0.133 -2.524 -4.264 53 H ALA 8 H ALA 8 -5.149 0.854 -2.682 54 HA ALA 8 HA ALA 8 -5.622 3.485 -3.581 55 1HB ALA 8 1HB ALA 8 -7.275 1.623 -3.718 56 2HB ALA 8 2HB ALA 8 -7.466 1.669 -1.957 57 3HB ALA 8 3HB ALA 8 -7.958 3.059 -2.931 58 H GLN 9 H GLN 9 -5.494 2.092 -0.376 59 HA GLN 9 HA GLN 9 -6.384 4.395 1.130 60 1HB GLN 9 1HB GLN 9 -5.012 1.752 1.755 61 2HB GLN 9 2HB GLN 9 -5.417 2.877 3.019 62 1HG GLN 9 1HG GLN 9 -7.594 1.965 1.108 63 2HG GLN 9 2HG GLN 9 -7.019 0.916 2.414 64 2HE2 GLN 9 2HE2 GLN 9 -9.190 1.026 3.306 65 1HE2 GLN 9 1HE2 GLN 9 -9.633 2.397 4.291 66 H CYS 10 H CYS 10 -3.272 3.447 -0.258 67 HA CYS 10 HA CYS 10 -1.248 3.674 0.315 68 1HB CYS 10 1HB CYS 10 -1.186 6.366 1.318 69 2HB CYS 10 2HB CYS 10 -0.393 5.576 -0.059 70 H SER 11 H SER 11 -1.868 2.134 1.937 71 HA SER 11 HA SER 11 -1.216 3.001 4.734 72 1HB SER 11 1HB SER 11 -3.623 2.751 4.435 73 2HB SER 11 2HB SER 11 -3.395 1.081 3.875 74 HG SER 11 HG SER 11 -3.936 1.297 6.071 75 H LEU 12 H LEU 12 0.819 2.269 4.872 76 HA LEU 12 HA LEU 12 1.775 -0.151 3.688 77 1HB LEU 12 1HB LEU 12 2.816 1.462 6.013 78 2HB LEU 12 2HB LEU 12 3.685 0.145 5.213 79 HG LEU 12 HG LEU 12 2.833 2.781 3.886 80 1HD1 LEU 12 1HD1 LEU 12 5.356 1.673 5.095 81 2HD1 LEU 12 2HD1 LEU 12 5.466 2.789 3.737 82 3HD1 LEU 12 3HD1 LEU 12 4.659 3.306 5.234 83 1HD2 LEU 12 1HD2 LEU 12 4.532 0.494 2.824 84 2HD2 LEU 12 2HD2 LEU 12 2.907 0.903 2.240 85 3HD2 LEU 12 3HD2 LEU 12 4.247 2.024 1.996 86 H THR 13 H THR 13 0.323 0.546 6.920 87 HA THR 13 HA THR 13 0.999 -1.993 7.940 88 HB THR 13 HB THR 13 -1.575 -0.702 8.829 89 HG1 THR 13 HG1 THR 13 -0.612 1.163 8.809 90 1HG2 THR 13 1HG2 THR 13 -0.543 -2.629 10.036 91 2HG2 THR 13 2HG2 THR 13 0.936 -1.681 10.296 92 3HG2 THR 13 3HG2 THR 13 -0.586 -1.178 11.050 93 H LEU 14 H LEU 14 -2.010 -0.921 6.200 94 HA LEU 14 HA LEU 14 -3.201 -3.443 6.274 95 1HB LEU 14 1HB LEU 14 -3.851 -0.858 5.356 96 2HB LEU 14 2HB LEU 14 -3.720 -1.773 3.874 97 HG LEU 14 HG LEU 14 -5.126 -3.536 5.218 98 1HD1 LEU 14 1HD1 LEU 14 -5.032 -2.232 7.305 99 2HD1 LEU 14 2HD1 LEU 14 -5.873 -0.893 6.527 100 3HD1 LEU 14 3HD1 LEU 14 -6.715 -2.438 6.747 101 1HD2 LEU 14 1HD2 LEU 14 -5.866 -2.392 3.111 102 2HD2 LEU 14 2HD2 LEU 14 -7.199 -2.583 4.267 103 3HD2 LEU 14 3HD2 LEU 14 -6.406 -1.006 4.067 104 H CYS 15 H CYS 15 -0.575 -2.136 4.290 105 HA CYS 15 HA CYS 15 -0.793 -4.038 2.150 106 1HB CYS 15 1HB CYS 15 1.461 -2.308 3.137 107 2HB CYS 15 2HB CYS 15 1.848 -3.679 2.137 108 H GLN 16 H GLN 16 0.308 -4.459 5.482 109 HA GLN 16 HA GLN 16 1.864 -6.830 4.899 110 1HB GLN 16 1HB GLN 16 0.507 -6.078 7.508 111 2HB GLN 16 2HB GLN 16 1.765 -7.296 7.212 112 1HG GLN 16 1HG GLN 16 3.108 -5.263 6.179 113 2HG GLN 16 2HG GLN 16 1.984 -4.265 7.104 114 2HE2 GLN 16 2HE2 GLN 16 4.614 -4.009 7.692 115 1HE2 GLN 16 1HE2 GLN 16 5.056 -4.913 9.131 116 H ASP 17 H ASP 17 -1.594 -6.232 5.049 117 HA ASP 17 HA ASP 17 -2.248 -9.063 5.418 118 1HB ASP 17 1HB ASP 17 -3.813 -6.680 4.397 119 2HB ASP 17 2HB ASP 17 -4.468 -8.318 4.451 120 H CYS 18 H CYS 18 -1.187 -6.967 2.808 121 HA CYS 18 HA CYS 18 -2.232 -8.714 0.742 122 1HB CYS 18 1HB CYS 18 -1.876 -6.426 0.102 123 2HB CYS 18 2HB CYS 18 -0.144 -6.521 0.480 124 H GLU 19 H GLU 19 -1.193 -10.467 0.016 125 HA GLU 19 HA GLU 19 0.733 -12.053 0.922 126 1HB GLU 19 1HB GLU 19 -0.681 -12.411 -1.049 127 2HB GLU 19 2HB GLU 19 0.258 -11.214 -1.905 128 1HG GLU 19 1HG GLU 19 2.301 -12.756 -1.578 129 2HG GLU 19 2HG GLU 19 1.141 -13.968 -1.037 130 H ASN 20 H ASN 20 1.558 -9.692 -1.644 131 HA ASN 20 HA ASN 20 4.409 -10.167 -1.093 132 1HB ASN 20 1HB ASN 20 4.693 -9.078 -3.273 133 2HB ASN 20 2HB ASN 20 3.813 -10.601 -3.313 134 2HD2 ASN 20 2HD2 ASN 20 3.920 -8.484 -5.349 135 1HD2 ASN 20 1HD2 ASN 20 2.265 -7.989 -5.603 136 H THR 21 H THR 21 3.807 -8.985 0.942 137 HA THR 21 HA THR 21 3.054 -6.484 1.263 138 HB THR 21 HB THR 21 5.287 -7.722 2.794 139 HG1 THR 21 HG1 THR 21 2.516 -8.115 2.663 140 1HG2 THR 21 1HG2 THR 21 3.312 -5.534 3.547 141 2HG2 THR 21 2HG2 THR 21 4.440 -6.348 4.659 142 3HG2 THR 21 3HG2 THR 21 5.065 -5.351 3.356 143 HA PRO 22 HA PRO 22 7.033 -4.040 0.787 144 1HB PRO 22 1HB PRO 22 9.230 -5.023 -0.601 145 2HB PRO 22 2HB PRO 22 8.996 -5.137 1.164 146 1HG PRO 22 1HG PRO 22 8.342 -7.225 -0.915 147 2HG PRO 22 2HG PRO 22 9.270 -7.432 0.609 148 1HD PRO 22 1HD PRO 22 6.648 -8.097 0.510 149 2HD PRO 22 2HD PRO 22 7.300 -7.214 1.925 150 H ILE 23 H ILE 23 6.047 -6.168 -1.915 151 HA ILE 23 HA ILE 23 6.548 -4.137 -3.951 152 HB ILE 23 HB ILE 23 5.077 -6.711 -3.815 153 1HG1 ILE 23 1HG1 ILE 23 7.526 -6.500 -4.367 154 2HG1 ILE 23 2HG1 ILE 23 6.511 -7.343 -5.538 155 1HG2 ILE 23 1HG2 ILE 23 4.615 -4.600 -5.936 156 2HG2 ILE 23 2HG2 ILE 23 4.329 -6.343 -6.176 157 3HG2 ILE 23 3HG2 ILE 23 3.406 -5.457 -4.958 158 1HD1 ILE 23 1HD1 ILE 23 7.475 -4.482 -5.900 159 2HD1 ILE 23 2HD1 ILE 23 8.141 -5.928 -6.674 160 3HD1 ILE 23 3HD1 ILE 23 6.497 -5.421 -7.047 161 H CYS 24 H CYS 24 3.864 -5.150 -1.842 162 HA CYS 24 HA CYS 24 1.912 -3.291 -2.797 163 1HB CYS 24 1HB CYS 24 1.461 -5.249 -1.353 164 2HB CYS 24 2HB CYS 24 2.191 -4.441 0.011 165 H GLU 25 H GLU 25 4.313 -3.090 -0.169 166 HA GLU 25 HA GLU 25 3.844 -0.519 0.765 167 1HB GLU 25 1HB GLU 25 6.407 -2.110 0.457 168 2HB GLU 25 2HB GLU 25 6.358 -0.659 1.343 169 1HG GLU 25 1HG GLU 25 4.550 -1.682 2.859 170 2HG GLU 25 2HG GLU 25 4.841 -3.199 2.051 171 H LEU 26 H LEU 26 6.001 -1.597 -1.886 172 HA LEU 26 HA LEU 26 7.038 0.927 -2.611 173 1HB LEU 26 1HB LEU 26 7.901 -1.237 -3.322 174 2HB LEU 26 2HB LEU 26 6.511 -1.492 -4.359 175 HG LEU 26 HG LEU 26 8.760 -0.585 -5.238 176 1HD1 LEU 26 1HD1 LEU 26 6.040 0.454 -6.121 177 2HD1 LEU 26 2HD1 LEU 26 7.494 0.634 -7.092 178 3HD1 LEU 26 3HD1 LEU 26 6.891 -0.985 -6.699 179 1HD2 LEU 26 1HD2 LEU 26 8.928 1.383 -3.754 180 2HD2 LEU 26 2HD2 LEU 26 9.086 1.732 -5.482 181 3HD2 LEU 26 3HD2 LEU 26 7.584 2.131 -4.645 182 H ALA 27 H ALA 27 4.191 -0.867 -3.863 183 HA ALA 27 HA ALA 27 3.265 1.125 -5.652 184 1HB ALA 27 1HB ALA 27 1.774 -1.030 -4.138 185 2HB ALA 27 2HB ALA 27 1.106 -0.044 -5.463 186 3HB ALA 27 3HB ALA 27 2.473 -1.138 -5.759 187 H VAL 28 H VAL 28 2.600 0.661 -2.162 188 HA VAL 28 HA VAL 28 0.742 2.739 -1.894 189 HB VAL 28 HB VAL 28 2.525 1.300 0.000 190 1HG1 VAL 28 1HG1 VAL 28 0.993 3.837 0.656 191 2HG1 VAL 28 2HG1 VAL 28 1.345 2.612 1.882 192 3HG1 VAL 28 3HG1 VAL 28 2.673 3.407 1.033 193 1HG2 VAL 28 1HG2 VAL 28 0.396 0.300 -0.745 194 2HG2 VAL 28 2HG2 VAL 28 0.349 0.693 0.996 195 3HG2 VAL 28 3HG2 VAL 28 -0.461 1.735 -0.167 196 H LYS 29 H LYS 29 4.347 2.876 -1.327 197 HA LYS 29 HA LYS 29 4.547 5.655 -1.010 198 1HB LYS 29 1HB LYS 29 6.378 3.467 -1.883 199 2HB LYS 29 2HB LYS 29 6.694 4.962 -2.737 200 1HG LYS 29 1HG LYS 29 6.539 5.922 -0.177 201 2HG LYS 29 2HG LYS 29 7.152 4.293 0.129 202 1HD LYS 29 1HD LYS 29 8.444 6.032 -1.992 203 2HD LYS 29 2HD LYS 29 8.728 6.409 -0.311 204 1HE LYS 29 1HE LYS 29 9.315 3.658 -1.482 205 2HE LYS 29 2HE LYS 29 10.484 4.981 -1.315 206 1HZ LYS 29 1HZ LYS 29 9.936 4.969 1.119 207 2HZ LYS 29 2HZ LYS 29 9.198 3.513 0.894 208 3HZ LYS 29 3HZ LYS 29 10.760 3.682 0.536 209 H GLY 30 H GLY 30 4.419 3.826 -4.068 210 1HA GLY 30 1HA GLY 30 3.706 4.455 -6.161 211 2HA GLY 30 2HA GLY 30 4.551 5.986 -5.884 212 H SER 31 H SER 31 1.865 4.893 -3.840 213 HA SER 31 HA SER 31 -0.138 6.388 -5.358 214 1HB SER 31 1HB SER 31 -0.425 4.885 -2.729 215 2HB SER 31 2HB SER 31 -1.718 5.510 -3.756 216 HG SER 31 HG SER 31 0.263 3.572 -4.453 217 H CYS 32 H CYS 32 1.007 6.529 -1.916 218 HA CYS 32 HA CYS 32 0.548 9.488 -1.981 219 1HB CYS 32 1HB CYS 32 0.475 7.657 0.419 220 2HB CYS 32 2HB CYS 32 0.539 9.389 0.492 221 HA PRO 33 HA PRO 33 5.030 9.185 -1.475 222 1HB PRO 33 1HB PRO 33 5.625 11.734 -0.646 223 2HB PRO 33 2HB PRO 33 5.112 11.382 -2.322 224 1HG PRO 33 1HG PRO 33 3.351 12.258 -0.006 225 2HG PRO 33 2HG PRO 33 3.467 13.044 -1.596 226 1HD PRO 33 1HD PRO 33 1.526 11.269 -1.096 227 2HD PRO 33 2HD PRO 33 2.384 11.186 -2.663 228 HA PRO 34 HA PRO 34 5.287 8.668 3.006 229 1HB PRO 34 1HB PRO 34 7.982 8.741 3.471 230 2HB PRO 34 2HB PRO 34 7.242 7.428 2.534 231 1HG PRO 34 1HG PRO 34 8.569 9.912 1.449 232 2HG PRO 34 2HG PRO 34 8.887 8.225 0.989 233 1HD PRO 34 1HD PRO 34 7.152 9.834 -0.411 234 2HD PRO 34 2HD PRO 34 6.870 8.090 -0.267 235 HA PRO 35 HA PRO 35 5.866 9.111 5.229 236 1HB PRO 35 1HB PRO 35 4.830 10.484 7.344 237 2HB PRO 35 2HB PRO 35 6.566 10.562 6.943 238 1HG PRO 35 1HG PRO 35 4.389 12.537 6.206 239 2HG PRO 35 2HG PRO 35 5.988 12.896 6.906 240 1HD PRO 35 1HD PRO 35 5.449 13.048 4.207 241 2HD PRO 35 2HD PRO 35 7.054 12.595 4.812 242 H TRP 36 H TRP 36 3.891 8.137 6.108 243 HA TRP 36 HA TRP 36 1.364 9.003 4.739 244 1HB TRP 36 1HB TRP 36 2.047 6.257 5.815 245 2HB TRP 36 2HB TRP 36 0.643 6.748 4.871 246 HD1 TRP 36 HD1 TRP 36 0.794 6.449 2.308 247 HE1 TRP 36 HE1 TRP 36 2.574 5.750 0.659 248 HE3 TRP 36 HE3 TRP 36 4.837 6.233 5.474 249 HZ2 TRP 36 HZ2 TRP 36 5.131 4.473 0.887 250 HZ3 TRP 36 HZ3 TRP 36 6.988 5.391 4.663 251 HH2 TRP 36 HH2 TRP 36 7.180 4.480 2.376 252 H SER 37 H SER 37 -0.407 9.465 6.121 253 HA SER 37 HA SER 37 -0.530 8.463 8.810 254 1HB SER 37 1HB SER 37 -0.745 10.795 9.769 255 2HB SER 37 2HB SER 37 0.899 10.272 9.370 256 HG SER 37 HG SER 37 0.366 11.419 7.224 No H/Q in entry = 256 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 -9.161 -5.890 -4.419 2 H2 ASP 1 H2 ASP 1 -7.833 -6.618 -5.049 3 H3 ASP 1 H3 ASP 1 -9.298 -7.368 -5.178 4 HA ASP 1 HA ASP 1 -9.421 -7.762 -2.875 5 1HB ASP 1 1HB ASP 1 -7.651 -9.291 -2.518 6 2HB ASP 1 2HB ASP 1 -7.873 -9.309 -4.263 7 H ILE 2 H ILE 2 -7.687 -7.889 -0.858 8 HA ILE 2 HA ILE 2 -7.531 -5.308 0.132 9 HB ILE 2 HB ILE 2 -7.435 -7.425 1.396 10 1HG1 ILE 2 1HG1 ILE 2 -5.769 -6.875 3.103 11 2HG1 ILE 2 2HG1 ILE 2 -5.175 -5.534 2.133 12 1HG2 ILE 2 1HG2 ILE 2 -5.654 -8.621 0.021 13 2HG2 ILE 2 2HG2 ILE 2 -4.446 -7.545 0.766 14 3HG2 ILE 2 3HG2 ILE 2 -5.361 -8.660 1.763 15 1HD1 ILE 2 1HD1 ILE 2 -8.124 -5.871 2.922 16 2HD1 ILE 2 2HD1 ILE 2 -6.944 -5.117 3.989 17 3HD1 ILE 2 3HD1 ILE 2 -7.290 -4.377 2.414 18 H CYS 3 H CYS 3 -5.121 -6.987 -1.911 19 HA CYS 3 HA CYS 3 -2.950 -5.213 -1.180 20 1HB CYS 3 1HB CYS 3 -2.967 -7.562 -2.522 21 2HB CYS 3 2HB CYS 3 -3.142 -6.495 -3.912 22 H ASP 4 H ASP 4 -5.561 -5.093 -3.523 23 HA ASP 4 HA ASP 4 -4.662 -2.586 -4.755 24 1HB ASP 4 1HB ASP 4 -6.100 -3.940 -6.041 25 2HB ASP 4 2HB ASP 4 -7.262 -4.135 -4.745 26 H ILE 5 H ILE 5 -6.936 -3.531 -2.183 27 HA ILE 5 HA ILE 5 -7.886 -0.980 -1.511 28 HB ILE 5 HB ILE 5 -7.239 -3.205 0.439 29 1HG1 ILE 5 1HG1 ILE 5 -9.752 -2.496 -1.106 30 2HG1 ILE 5 2HG1 ILE 5 -8.803 -3.911 -1.304 31 1HG2 ILE 5 1HG2 ILE 5 -7.597 -0.942 1.535 32 2HG2 ILE 5 2HG2 ILE 5 -9.229 -0.975 0.842 33 3HG2 ILE 5 3HG2 ILE 5 -8.709 -2.207 2.011 34 1HD1 ILE 5 1HD1 ILE 5 -9.430 -4.522 1.120 35 2HD1 ILE 5 2HD1 ILE 5 -10.572 -3.159 1.041 36 3HD1 ILE 5 3HD1 ILE 5 -10.754 -4.527 -0.062 37 H ALA 6 H ALA 6 -5.015 -2.621 -0.119 38 HA ALA 6 HA ALA 6 -4.209 -0.627 1.669 39 1HB ALA 6 1HB ALA 6 -3.311 -2.979 1.600 40 2HB ALA 6 2HB ALA 6 -2.001 -1.785 1.558 41 3HB ALA 6 3HB ALA 6 -2.513 -2.615 0.070 42 H ILE 7 H ILE 7 -3.448 -1.016 -1.785 43 HA ILE 7 HA ILE 7 -1.713 1.258 -1.938 44 HB ILE 7 HB ILE 7 -3.302 -0.258 -4.021 45 1HG1 ILE 7 1HG1 ILE 7 -0.308 -0.138 -3.358 46 2HG1 ILE 7 2HG1 ILE 7 -1.393 -1.428 -2.840 47 1HG2 ILE 7 1HG2 ILE 7 -2.892 2.122 -4.748 48 2HG2 ILE 7 2HG2 ILE 7 -1.157 1.838 -4.472 49 3HG2 ILE 7 3HG2 ILE 7 -2.036 0.942 -5.729 50 1HD1 ILE 7 1HD1 ILE 7 -1.963 -1.807 -5.268 51 2HD1 ILE 7 2HD1 ILE 7 -0.618 -0.756 -5.703 52 3HD1 ILE 7 3HD1 ILE 7 -0.299 -2.240 -4.789 53 H ALA 8 H ALA 8 -5.218 0.917 -2.687 54 HA ALA 8 HA ALA 8 -5.610 3.632 -3.406 55 1HB ALA 8 1HB ALA 8 -7.254 1.913 -3.822 56 2HB ALA 8 2HB ALA 8 -7.404 1.551 -2.101 57 3HB ALA 8 3HB ALA 8 -7.986 3.112 -2.713 58 H GLN 9 H GLN 9 -5.587 2.031 -0.290 59 HA GLN 9 HA GLN 9 -6.458 4.373 1.261 60 1HB GLN 9 1HB GLN 9 -5.962 1.434 1.745 61 2HB GLN 9 2HB GLN 9 -5.770 2.491 3.105 62 1HG GLN 9 1HG GLN 9 -8.064 1.564 2.922 63 2HG GLN 9 2HG GLN 9 -7.991 3.324 2.969 64 2HE2 GLN 9 2HE2 GLN 9 -7.774 0.868 0.325 65 1HE2 GLN 9 1HE2 GLN 9 -9.088 1.539 -0.616 66 H CYS 10 H CYS 10 -3.495 3.408 -0.086 67 HA CYS 10 HA CYS 10 -1.423 3.480 0.588 68 1HB CYS 10 1HB CYS 10 -1.428 6.272 1.253 69 2HB CYS 10 2HB CYS 10 -0.533 5.391 0.022 70 H SER 11 H SER 11 -1.907 2.076 2.346 71 HA SER 11 HA SER 11 -0.951 3.181 4.963 72 1HB SER 11 1HB SER 11 -3.378 2.912 5.071 73 2HB SER 11 2HB SER 11 -3.255 1.265 4.446 74 HG SER 11 HG SER 11 -2.350 2.300 6.930 75 H LEU 12 H LEU 12 1.033 2.251 5.215 76 HA LEU 12 HA LEU 12 1.815 -0.169 3.796 77 1HB LEU 12 1HB LEU 12 3.104 1.272 6.167 78 2HB LEU 12 2HB LEU 12 3.787 -0.100 5.293 79 HG LEU 12 HG LEU 12 3.428 2.753 4.287 80 1HD1 LEU 12 1HD1 LEU 12 5.731 0.747 4.528 81 2HD1 LEU 12 2HD1 LEU 12 5.870 2.234 3.630 82 3HD1 LEU 12 3HD1 LEU 12 5.556 2.307 5.375 83 1HD2 LEU 12 1HD2 LEU 12 3.939 0.228 2.729 84 2HD2 LEU 12 2HD2 LEU 12 2.607 1.348 2.462 85 3HD2 LEU 12 3HD2 LEU 12 4.257 1.847 2.062 86 H THR 13 H THR 13 0.583 0.546 7.062 87 HA THR 13 HA THR 13 0.970 -2.045 8.079 88 HB THR 13 HB THR 13 -1.399 -0.192 8.593 89 HG1 THR 13 HG1 THR 13 1.215 -0.198 9.740 90 1HG2 THR 13 1HG2 THR 13 -1.583 -2.386 9.708 91 2HG2 THR 13 2HG2 THR 13 0.006 -2.158 10.452 92 3HG2 THR 13 3HG2 THR 13 -1.342 -1.084 10.881 93 H LEU 14 H LEU 14 -1.660 -0.844 5.880 94 HA LEU 14 HA LEU 14 -3.157 -3.235 6.163 95 1HB LEU 14 1HB LEU 14 -3.929 -0.872 5.775 96 2HB LEU 14 2HB LEU 14 -3.195 -0.963 4.165 97 HG LEU 14 HG LEU 14 -4.607 -2.520 3.410 98 1HD1 LEU 14 1HD1 LEU 14 -5.520 -2.722 6.282 99 2HD1 LEU 14 2HD1 LEU 14 -6.578 -3.240 4.949 100 3HD1 LEU 14 3HD1 LEU 14 -5.001 -4.042 5.190 101 1HD2 LEU 14 1HD2 LEU 14 -5.456 -0.149 3.521 102 2HD2 LEU 14 2HD2 LEU 14 -6.804 -1.303 3.639 103 3HD2 LEU 14 3HD2 LEU 14 -6.189 -0.505 5.097 104 H CYS 15 H CYS 15 -0.340 -2.271 4.327 105 HA CYS 15 HA CYS 15 -0.727 -4.059 2.058 106 1HB CYS 15 1HB CYS 15 1.757 -2.746 3.234 107 2HB CYS 15 2HB CYS 15 1.847 -3.958 1.988 108 H GLN 16 H GLN 16 0.143 -4.523 5.409 109 HA GLN 16 HA GLN 16 1.778 -6.847 5.064 110 1HB GLN 16 1HB GLN 16 0.106 -5.933 7.408 111 2HB GLN 16 2HB GLN 16 1.395 -7.145 7.479 112 1HG GLN 16 1HG GLN 16 3.069 -5.536 6.796 113 2HG GLN 16 2HG GLN 16 1.878 -4.275 6.493 114 2HE2 GLN 16 2HE2 GLN 16 4.047 -3.780 8.151 115 1HE2 GLN 16 1HE2 GLN 16 3.430 -3.612 9.792 116 H ASP 17 H ASP 17 -1.700 -6.389 5.003 117 HA ASP 17 HA ASP 17 -2.401 -9.199 5.267 118 1HB ASP 17 1HB ASP 17 -3.870 -6.731 4.272 119 2HB ASP 17 2HB ASP 17 -4.577 -8.340 4.259 120 H CYS 18 H CYS 18 -1.055 -7.241 2.725 121 HA CYS 18 HA CYS 18 -2.057 -8.974 0.556 122 1HB CYS 18 1HB CYS 18 -1.919 -6.728 -0.035 123 2HB CYS 18 2HB CYS 18 -0.236 -6.549 0.479 124 H GLU 19 H GLU 19 -0.975 -10.589 -0.221 125 HA GLU 19 HA GLU 19 0.955 -12.126 0.778 126 1HB GLU 19 1HB GLU 19 -0.373 -12.617 -1.191 127 2HB GLU 19 2HB GLU 19 0.530 -11.432 -2.097 128 1HG GLU 19 1HG GLU 19 2.244 -13.548 -0.880 129 2HG GLU 19 2HG GLU 19 1.078 -14.118 -2.094 130 H ASN 20 H ASN 20 1.831 -9.708 -1.748 131 HA ASN 20 HA ASN 20 4.646 -9.890 -0.841 132 1HB ASN 20 1HB ASN 20 5.046 -8.620 -2.907 133 2HB ASN 20 2HB ASN 20 4.580 -10.290 -3.084 134 2HD2 ASN 20 2HD2 ASN 20 3.098 -10.695 -4.619 135 1HD2 ASN 20 1HD2 ASN 20 2.006 -9.514 -5.327 136 H THR 21 H THR 21 3.653 -8.823 1.116 137 HA THR 21 HA THR 21 2.872 -6.333 1.491 138 HB THR 21 HB THR 21 5.148 -7.584 2.954 139 HG1 THR 21 HG1 THR 21 2.428 -8.099 2.742 140 1HG2 THR 21 1HG2 THR 21 3.139 -5.472 3.838 141 2HG2 THR 21 2HG2 THR 21 4.266 -6.346 4.906 142 3HG2 THR 21 3HG2 THR 21 4.885 -5.258 3.662 143 HA PRO 22 HA PRO 22 6.859 -3.929 0.821 144 1HB PRO 22 1HB PRO 22 9.129 -4.899 -0.268 145 2HB PRO 22 2HB PRO 22 8.661 -5.257 1.427 146 1HG PRO 22 1HG PRO 22 8.107 -6.997 -0.977 147 2HG PRO 22 2HG PRO 22 8.990 -7.452 0.517 148 1HD PRO 22 1HD PRO 22 6.376 -7.990 0.308 149 2HD PRO 22 2HD PRO 22 7.026 -7.309 1.825 150 H ILE 23 H ILE 23 5.826 -6.095 -1.806 151 HA ILE 23 HA ILE 23 6.598 -4.239 -3.945 152 HB ILE 23 HB ILE 23 4.698 -6.507 -3.725 153 1HG1 ILE 23 1HG1 ILE 23 7.430 -6.500 -3.986 154 2HG1 ILE 23 2HG1 ILE 23 6.346 -7.775 -4.455 155 1HG2 ILE 23 1HG2 ILE 23 3.628 -4.995 -5.276 156 2HG2 ILE 23 2HG2 ILE 23 5.125 -4.821 -6.205 157 3HG2 ILE 23 3HG2 ILE 23 4.272 -6.385 -6.136 158 1HD1 ILE 23 1HD1 ILE 23 6.340 -7.009 -6.789 159 2HD1 ILE 23 2HD1 ILE 23 7.418 -5.662 -6.325 160 3HD1 ILE 23 3HD1 ILE 23 7.968 -7.338 -6.189 161 H CYS 24 H CYS 24 3.778 -5.041 -1.902 162 HA CYS 24 HA CYS 24 2.055 -2.966 -2.858 163 1HB CYS 24 1HB CYS 24 1.177 -4.825 -1.710 164 2HB CYS 24 2HB CYS 24 2.072 -4.493 -0.240 165 H GLU 25 H GLU 25 4.472 -3.006 -0.194 166 HA GLU 25 HA GLU 25 4.089 -0.415 0.757 167 1HB GLU 25 1HB GLU 25 6.716 -1.919 0.329 168 2HB GLU 25 2HB GLU 25 6.633 -0.468 1.203 169 1HG GLU 25 1HG GLU 25 5.297 -1.404 2.989 170 2HG GLU 25 2HG GLU 25 5.226 -2.955 2.178 171 H LEU 26 H LEU 26 6.163 -1.519 -1.892 172 HA LEU 26 HA LEU 26 7.194 0.997 -2.609 173 1HB LEU 26 1HB LEU 26 7.961 -1.337 -3.304 174 2HB LEU 26 2HB LEU 26 6.624 -1.436 -4.424 175 HG LEU 26 HG LEU 26 8.468 0.920 -4.654 176 1HD1 LEU 26 1HD1 LEU 26 9.116 -1.901 -5.580 177 2HD1 LEU 26 2HD1 LEU 26 9.996 -0.433 -6.069 178 3HD1 LEU 26 3HD1 LEU 26 10.005 -0.951 -4.372 179 1HD2 LEU 26 1HD2 LEU 26 6.967 -0.847 -6.643 180 2HD2 LEU 26 2HD2 LEU 26 6.560 0.823 -6.216 181 3HD2 LEU 26 3HD2 LEU 26 8.046 0.465 -7.106 182 H ALA 27 H ALA 27 4.365 -0.752 -3.885 183 HA ALA 27 HA ALA 27 3.582 1.253 -5.738 184 1HB ALA 27 1HB ALA 27 2.730 -1.067 -5.771 185 2HB ALA 27 2HB ALA 27 1.426 0.138 -5.742 186 3HB ALA 27 3HB ALA 27 1.842 -0.763 -4.262 187 H VAL 28 H VAL 28 2.640 0.732 -2.318 188 HA VAL 28 HA VAL 28 0.840 2.866 -2.058 189 HB VAL 28 HB VAL 28 2.534 1.357 -0.127 190 1HG1 VAL 28 1HG1 VAL 28 1.016 3.909 0.398 191 2HG1 VAL 28 2HG1 VAL 28 1.079 2.670 1.651 192 3HG1 VAL 28 3HG1 VAL 28 2.589 3.333 1.015 193 1HG2 VAL 28 1HG2 VAL 28 0.407 0.372 -1.013 194 2HG2 VAL 28 2HG2 VAL 28 0.344 0.678 0.739 195 3HG2 VAL 28 3HG2 VAL 28 -0.444 1.793 -0.366 196 H LYS 29 H LYS 29 4.485 2.955 -1.321 197 HA LYS 29 HA LYS 29 4.523 5.674 -0.976 198 1HB LYS 29 1HB LYS 29 6.369 3.582 -0.954 199 2HB LYS 29 2HB LYS 29 6.808 4.357 -2.467 200 1HG LYS 29 1HG LYS 29 6.488 6.515 -0.802 201 2HG LYS 29 2HG LYS 29 6.985 5.304 0.353 202 1HD LYS 29 1HD LYS 29 8.533 5.741 -2.265 203 2HD LYS 29 2HD LYS 29 8.896 6.714 -0.854 204 1HE LYS 29 1HE LYS 29 8.949 3.682 -0.791 205 2HE LYS 29 2HE LYS 29 10.357 4.728 -1.078 206 1HZ LYS 29 1HZ LYS 29 9.985 5.775 1.042 207 2HZ LYS 29 2HZ LYS 29 8.774 4.790 1.436 208 3HZ LYS 29 3HZ LYS 29 10.272 4.197 1.222 209 H GLY 30 H GLY 30 4.560 3.847 -4.019 210 1HA GLY 30 1HA GLY 30 4.316 4.544 -6.188 211 2HA GLY 30 2HA GLY 30 5.084 6.080 -5.760 212 H SER 31 H SER 31 2.192 4.956 -4.050 213 HA SER 31 HA SER 31 0.368 6.461 -5.778 214 1HB SER 31 1HB SER 31 -0.210 4.969 -3.195 215 2HB SER 31 2HB SER 31 -1.375 5.603 -4.363 216 HG SER 31 HG SER 31 0.690 3.702 -4.900 217 H CYS 32 H CYS 32 0.801 6.554 -2.186 218 HA CYS 32 HA CYS 32 -0.024 9.412 -2.312 219 1HB CYS 32 1HB CYS 32 0.228 7.497 0.024 220 2HB CYS 32 2HB CYS 32 0.080 9.216 0.193 221 HA PRO 33 HA PRO 33 4.296 10.437 -1.878 222 1HB PRO 33 1HB PRO 33 4.160 12.965 -0.788 223 2HB PRO 33 2HB PRO 33 3.780 12.589 -2.483 224 1HG PRO 33 1HG PRO 33 1.817 12.881 -0.214 225 2HG PRO 33 2HG PRO 33 1.742 13.631 -1.835 226 1HD PRO 33 1HD PRO 33 0.379 11.362 -1.261 227 2HD PRO 33 2HD PRO 33 1.166 11.556 -2.853 228 HA PRO 34 HA PRO 34 4.423 8.848 2.373 229 1HB PRO 34 1HB PRO 34 7.087 8.275 2.618 230 2HB PRO 34 2HB PRO 34 6.059 7.401 1.460 231 1HG PRO 34 1HG PRO 34 7.745 9.868 0.870 232 2HG PRO 34 2HG PRO 34 7.838 8.303 0.046 233 1HD PRO 34 1HD PRO 34 6.353 10.308 -0.946 234 2HD PRO 34 2HD PRO 34 5.675 8.653 -0.987 235 HA PRO 35 HA PRO 35 5.534 8.397 4.510 236 1HB PRO 35 1HB PRO 35 5.090 9.099 7.097 237 2HB PRO 35 2HB PRO 35 6.723 9.138 6.377 238 1HG PRO 35 1HG PRO 35 4.791 11.464 6.669 239 2HG PRO 35 2HG PRO 35 6.501 11.374 7.187 240 1HD PRO 35 1HD PRO 35 5.759 12.481 4.796 241 2HD PRO 35 2HD PRO 35 7.267 11.536 4.953 242 H TRP 36 H TRP 36 3.686 7.581 5.846 243 HA TRP 36 HA TRP 36 1.103 8.615 4.777 244 1HB TRP 36 1HB TRP 36 1.899 5.863 5.762 245 2HB TRP 36 2HB TRP 36 0.445 6.281 4.872 246 HD1 TRP 36 HD1 TRP 36 0.656 6.444 2.202 247 HE1 TRP 36 HE1 TRP 36 2.409 5.708 0.557 248 HE3 TRP 36 HE3 TRP 36 4.679 5.904 5.380 249 HZ2 TRP 36 HZ2 TRP 36 4.957 4.291 0.742 250 HZ3 TRP 36 HZ3 TRP 36 6.726 4.862 4.600 251 HH2 TRP 36 HH2 TRP 36 6.878 3.992 2.286 252 H SER 37 H SER 37 -0.760 7.571 6.304 253 HA SER 37 HA SER 37 -0.141 7.797 9.152 254 1HB SER 37 1HB SER 37 -2.370 9.441 7.880 255 2HB SER 37 2HB SER 37 -1.891 9.394 9.586 256 HG SER 37 HG SER 37 0.302 9.979 8.447 No H/Q in entry = 256 Start of MODEL 11 1 H1 ASP 1 H1 ASP 1 -8.872 -6.063 -4.320 2 H2 ASP 1 H2 ASP 1 -7.620 -6.390 -5.373 3 H3 ASP 1 H3 ASP 1 -9.011 -7.306 -5.346 4 HA ASP 1 HA ASP 1 -8.520 -8.222 -3.273 5 1HB ASP 1 1HB ASP 1 -6.269 -9.160 -3.452 6 2HB ASP 1 2HB ASP 1 -7.101 -9.233 -5.008 7 H ILE 2 H ILE 2 -7.317 -8.097 -1.243 8 HA ILE 2 HA ILE 2 -7.359 -5.587 -0.187 9 HB ILE 2 HB ILE 2 -7.420 -7.744 1.017 10 1HG1 ILE 2 1HG1 ILE 2 -6.270 -7.186 3.067 11 2HG1 ILE 2 2HG1 ILE 2 -5.333 -5.915 2.264 12 1HG2 ILE 2 1HG2 ILE 2 -5.404 -8.826 -0.050 13 2HG2 ILE 2 2HG2 ILE 2 -4.362 -7.716 0.873 14 3HG2 ILE 2 3HG2 ILE 2 -5.357 -8.895 1.716 15 1HD1 ILE 2 1HD1 ILE 2 -8.377 -5.998 2.547 16 2HD1 ILE 2 2HD1 ILE 2 -7.278 -5.151 3.647 17 3HD1 ILE 2 3HD1 ILE 2 -7.388 -4.618 1.973 18 H CYS 3 H CYS 3 -4.611 -6.982 -1.823 19 HA CYS 3 HA CYS 3 -2.619 -5.098 -0.926 20 1HB CYS 3 1HB CYS 3 -2.685 -7.307 -2.669 21 2HB CYS 3 2HB CYS 3 -2.692 -5.969 -3.811 22 H ASP 4 H ASP 4 -4.973 -5.045 -3.568 23 HA ASP 4 HA ASP 4 -4.106 -2.496 -4.652 24 1HB ASP 4 1HB ASP 4 -5.256 -4.240 -5.993 25 2HB ASP 4 2HB ASP 4 -6.707 -4.036 -5.000 26 H ILE 5 H ILE 5 -6.582 -3.666 -2.385 27 HA ILE 5 HA ILE 5 -7.879 -1.219 -1.828 28 HB ILE 5 HB ILE 5 -7.223 -3.422 0.135 29 1HG1 ILE 5 1HG1 ILE 5 -9.629 -2.935 -1.646 30 2HG1 ILE 5 2HG1 ILE 5 -8.479 -4.232 -1.787 31 1HG2 ILE 5 1HG2 ILE 5 -7.796 -1.381 1.304 32 2HG2 ILE 5 2HG2 ILE 5 -9.284 -1.225 0.340 33 3HG2 ILE 5 3HG2 ILE 5 -9.064 -2.569 1.487 34 1HD1 ILE 5 1HD1 ILE 5 -9.238 -4.927 0.613 35 2HD1 ILE 5 2HD1 ILE 5 -10.549 -3.775 0.368 36 3HD1 ILE 5 3HD1 ILE 5 -10.378 -5.161 -0.708 37 H ALA 6 H ALA 6 -5.047 -2.675 -0.150 38 HA ALA 6 HA ALA 6 -4.595 -0.531 1.657 39 1HB ALA 6 1HB ALA 6 -2.402 -1.676 1.976 40 2HB ALA 6 2HB ALA 6 -3.646 -2.937 1.771 41 3HB ALA 6 3HB ALA 6 -2.588 -2.525 0.429 42 H ILE 7 H ILE 7 -3.386 -1.075 -1.643 43 HA ILE 7 HA ILE 7 -1.680 1.248 -1.638 44 HB ILE 7 HB ILE 7 -2.940 -0.388 -3.844 45 1HG1 ILE 7 1HG1 ILE 7 -0.029 -0.205 -2.945 46 2HG1 ILE 7 2HG1 ILE 7 -1.135 -1.327 -2.169 47 1HG2 ILE 7 1HG2 ILE 7 -0.832 1.815 -4.008 48 2HG2 ILE 7 2HG2 ILE 7 -1.299 0.735 -5.340 49 3HG2 ILE 7 3HG2 ILE 7 -2.470 1.876 -4.696 50 1HD1 ILE 7 1HD1 ILE 7 -1.670 -2.390 -4.296 51 2HD1 ILE 7 2HD1 ILE 7 -0.510 -1.332 -5.132 52 3HD1 ILE 7 3HD1 ILE 7 0.055 -2.482 -3.903 53 H ALA 8 H ALA 8 -5.119 0.724 -2.639 54 HA ALA 8 HA ALA 8 -5.549 3.403 -3.538 55 1HB ALA 8 1HB ALA 8 -7.017 1.468 -4.067 56 2HB ALA 8 2HB ALA 8 -7.543 1.407 -2.370 57 3HB ALA 8 3HB ALA 8 -7.917 2.827 -3.365 58 H GLN 9 H GLN 9 -5.617 1.879 -0.393 59 HA GLN 9 HA GLN 9 -6.477 4.314 1.057 60 1HB GLN 9 1HB GLN 9 -5.921 1.397 1.772 61 2HB GLN 9 2HB GLN 9 -6.269 2.592 2.990 62 1HG GLN 9 1HG GLN 9 -8.354 3.191 1.456 63 2HG GLN 9 2HG GLN 9 -8.060 1.631 0.702 64 2HE2 GLN 9 2HE2 GLN 9 -7.425 0.023 2.792 65 1HE2 GLN 9 1HE2 GLN 9 -8.755 -0.096 3.930 66 H CYS 10 H CYS 10 -3.743 3.375 -0.342 67 HA CYS 10 HA CYS 10 -1.551 3.303 0.000 68 1HB CYS 10 1HB CYS 10 -0.607 5.616 0.369 69 2HB CYS 10 2HB CYS 10 -1.675 5.317 -0.971 70 H SER 11 H SER 11 -1.925 1.916 1.935 71 HA SER 11 HA SER 11 -0.833 3.147 4.453 72 1HB SER 11 1HB SER 11 -3.175 2.751 4.802 73 2HB SER 11 2HB SER 11 -3.078 1.163 4.040 74 HG SER 11 HG SER 11 -1.962 2.040 6.495 75 H LEU 12 H LEU 12 1.165 2.315 4.799 76 HA LEU 12 HA LEU 12 2.130 -0.108 3.532 77 1HB LEU 12 1HB LEU 12 3.201 1.460 5.921 78 2HB LEU 12 2HB LEU 12 3.936 0.016 5.240 79 HG LEU 12 HG LEU 12 3.717 1.478 2.950 80 1HD1 LEU 12 1HD1 LEU 12 4.205 3.522 5.121 81 2HD1 LEU 12 2HD1 LEU 12 4.399 3.740 3.363 82 3HD1 LEU 12 3HD1 LEU 12 2.796 3.424 4.039 83 1HD2 LEU 12 1HD2 LEU 12 5.751 0.347 3.859 84 2HD2 LEU 12 2HD2 LEU 12 6.097 1.946 3.220 85 3HD2 LEU 12 3HD2 LEU 12 5.979 1.705 4.979 86 H THR 13 H THR 13 0.853 0.725 6.810 87 HA THR 13 HA THR 13 1.303 -1.803 7.839 88 HB THR 13 HB THR 13 -0.975 -0.018 8.742 89 HG1 THR 13 HG1 THR 13 0.501 1.459 9.395 90 1HG2 THR 13 1HG2 THR 13 -0.390 -2.201 9.950 91 2HG2 THR 13 2HG2 THR 13 1.206 -1.513 10.291 92 3HG2 THR 13 3HG2 THR 13 -0.252 -0.758 10.964 93 H LEU 14 H LEU 14 -1.721 -0.596 6.107 94 HA LEU 14 HA LEU 14 -3.091 -3.048 6.569 95 1HB LEU 14 1HB LEU 14 -4.164 -0.871 6.130 96 2HB LEU 14 2HB LEU 14 -3.405 -0.882 4.528 97 HG LEU 14 HG LEU 14 -4.493 -2.721 3.790 98 1HD1 LEU 14 1HD1 LEU 14 -5.697 -2.799 6.564 99 2HD1 LEU 14 2HD1 LEU 14 -6.452 -3.626 5.175 100 3HD1 LEU 14 3HD1 LEU 14 -4.823 -4.104 5.703 101 1HD2 LEU 14 1HD2 LEU 14 -5.573 -0.433 3.709 102 2HD2 LEU 14 2HD2 LEU 14 -6.713 -1.803 3.595 103 3HD2 LEU 14 3HD2 LEU 14 -6.534 -0.907 5.125 104 H CYS 15 H CYS 15 -0.567 -1.921 4.330 105 HA CYS 15 HA CYS 15 -1.060 -3.860 2.257 106 1HB CYS 15 1HB CYS 15 1.180 -2.035 2.951 107 2HB CYS 15 2HB CYS 15 1.638 -3.506 2.116 108 H GLN 16 H GLN 16 0.125 -4.243 5.516 109 HA GLN 16 HA GLN 16 1.562 -6.706 4.962 110 1HB GLN 16 1HB GLN 16 0.503 -5.677 7.592 111 2HB GLN 16 2HB GLN 16 1.723 -6.934 7.319 112 1HG GLN 16 1HG GLN 16 3.010 -5.103 5.960 113 2HG GLN 16 2HG GLN 16 1.935 -3.946 6.744 114 2HE2 GLN 16 2HE2 GLN 16 4.514 -3.507 7.138 115 1HE2 GLN 16 1HE2 GLN 16 5.012 -4.038 8.755 116 H ASP 17 H ASP 17 -1.782 -6.055 4.815 117 HA ASP 17 HA ASP 17 -2.553 -8.867 5.343 118 1HB ASP 17 1HB ASP 17 -3.945 -6.477 4.091 119 2HB ASP 17 2HB ASP 17 -4.445 -8.126 3.749 120 H CYS 18 H CYS 18 -1.051 -6.970 2.764 121 HA CYS 18 HA CYS 18 -1.958 -8.754 0.695 122 1HB CYS 18 1HB CYS 18 -1.432 -6.485 0.161 123 2HB CYS 18 2HB CYS 18 0.274 -6.690 0.586 124 H GLU 19 H GLU 19 -1.046 -10.530 -0.057 125 HA GLU 19 HA GLU 19 0.898 -12.099 1.038 126 1HB GLU 19 1HB GLU 19 -0.494 -12.997 -0.548 127 2HB GLU 19 2HB GLU 19 -0.122 -11.749 -1.741 128 1HG GLU 19 1HG GLU 19 0.811 -14.044 -2.231 129 2HG GLU 19 2HG GLU 19 1.968 -12.716 -2.277 130 H ASN 20 H ASN 20 1.523 -10.089 -1.905 131 HA ASN 20 HA ASN 20 4.356 -10.165 -1.355 132 1HB ASN 20 1HB ASN 20 4.563 -9.061 -3.499 133 2HB ASN 20 2HB ASN 20 3.661 -10.567 -3.518 134 2HD2 ASN 20 2HD2 ASN 20 2.862 -7.013 -3.260 135 1HD2 ASN 20 1HD2 ASN 20 1.669 -7.119 -4.559 136 H THR 21 H THR 21 3.831 -9.092 0.780 137 HA THR 21 HA THR 21 3.020 -6.605 1.183 138 HB THR 21 HB THR 21 5.403 -7.580 2.682 139 HG1 THR 21 HG1 THR 21 2.725 -8.527 2.690 140 1HG2 THR 21 1HG2 THR 21 2.918 -5.985 3.372 141 2HG2 THR 21 2HG2 THR 21 4.079 -6.580 4.570 142 3HG2 THR 21 3HG2 THR 21 4.582 -5.416 3.350 143 HA PRO 22 HA PRO 22 7.037 -4.186 0.641 144 1HB PRO 22 1HB PRO 22 9.108 -5.182 -0.932 145 2HB PRO 22 2HB PRO 22 8.991 -5.431 0.826 146 1HG PRO 22 1HG PRO 22 8.102 -7.335 -1.369 147 2HG PRO 22 2HG PRO 22 9.120 -7.697 0.054 148 1HD PRO 22 1HD PRO 22 6.479 -8.215 0.121 149 2HD PRO 22 2HD PRO 22 7.289 -7.476 1.537 150 H ILE 23 H ILE 23 5.979 -6.214 -2.092 151 HA ILE 23 HA ILE 23 6.370 -4.209 -4.149 152 HB ILE 23 HB ILE 23 4.807 -6.708 -3.858 153 1HG1 ILE 23 1HG1 ILE 23 7.326 -6.569 -4.304 154 2HG1 ILE 23 2HG1 ILE 23 6.320 -7.592 -5.316 155 1HG2 ILE 23 1HG2 ILE 23 4.619 -4.880 -6.271 156 2HG2 ILE 23 2HG2 ILE 23 4.053 -6.555 -6.166 157 3HG2 ILE 23 3HG2 ILE 23 3.291 -5.308 -5.179 158 1HD1 ILE 23 1HD1 ILE 23 7.197 -4.812 -6.164 159 2HD1 ILE 23 2HD1 ILE 23 8.028 -6.319 -6.590 160 3HD1 ILE 23 3HD1 ILE 23 6.379 -6.040 -7.158 161 H CYS 24 H CYS 24 3.775 -5.123 -1.904 162 HA CYS 24 HA CYS 24 1.820 -3.241 -2.761 163 1HB CYS 24 1HB CYS 24 1.516 -5.279 -1.315 164 2HB CYS 24 2HB CYS 24 2.144 -4.368 0.044 165 H GLU 25 H GLU 25 4.255 -3.119 -0.122 166 HA GLU 25 HA GLU 25 3.807 -0.535 0.850 167 1HB GLU 25 1HB GLU 25 6.229 -2.324 0.610 168 2HB GLU 25 2HB GLU 25 6.328 -0.886 1.532 169 1HG GLU 25 1HG GLU 25 4.416 -1.627 2.966 170 2HG GLU 25 2HG GLU 25 4.380 -3.173 2.121 171 H LEU 26 H LEU 26 5.932 -1.650 -1.837 172 HA LEU 26 HA LEU 26 7.045 0.880 -2.496 173 1HB LEU 26 1HB LEU 26 7.747 -1.374 -3.316 174 2HB LEU 26 2HB LEU 26 6.403 -1.368 -4.453 175 HG LEU 26 HG LEU 26 8.425 0.912 -4.379 176 1HD1 LEU 26 1HD1 LEU 26 8.692 -1.736 -5.850 177 2HD1 LEU 26 2HD1 LEU 26 9.728 -0.311 -6.084 178 3HD1 LEU 26 3HD1 LEU 26 9.724 -1.149 -4.525 179 1HD2 LEU 26 1HD2 LEU 26 6.678 -0.268 -6.596 180 2HD2 LEU 26 2HD2 LEU 26 6.464 1.321 -5.833 181 3HD2 LEU 26 3HD2 LEU 26 7.886 1.012 -6.820 182 H ALA 27 H ALA 27 4.086 -0.751 -3.777 183 HA ALA 27 HA ALA 27 3.360 1.433 -5.456 184 1HB ALA 27 1HB ALA 27 1.785 -0.853 -4.275 185 2HB ALA 27 2HB ALA 27 1.048 0.386 -5.327 186 3HB ALA 27 3HB ALA 27 2.350 -0.624 -5.944 187 H VAL 28 H VAL 28 2.535 0.763 -2.024 188 HA VAL 28 HA VAL 28 0.738 2.894 -1.654 189 HB VAL 28 HB VAL 28 2.729 1.600 0.153 190 1HG1 VAL 28 1HG1 VAL 28 0.876 3.880 0.854 191 2HG1 VAL 28 2HG1 VAL 28 1.520 2.758 2.067 192 3HG1 VAL 28 3HG1 VAL 28 2.625 3.773 1.138 193 1HG2 VAL 28 1HG2 VAL 28 0.688 0.359 -0.564 194 2HG2 VAL 28 2HG2 VAL 28 0.827 0.613 1.195 195 3HG2 VAL 28 3HG2 VAL 28 -0.298 1.581 0.239 196 H LYS 29 H LYS 29 4.294 2.791 -1.313 197 HA LYS 29 HA LYS 29 4.662 5.642 -1.063 198 1HB LYS 29 1HB LYS 29 6.448 3.204 -1.552 199 2HB LYS 29 2HB LYS 29 7.093 4.836 -1.420 200 1HG LYS 29 1HG LYS 29 6.208 5.115 0.787 201 2HG LYS 29 2HG LYS 29 5.437 3.526 0.769 202 1HD LYS 29 1HD LYS 29 7.443 2.380 0.947 203 2HD LYS 29 2HD LYS 29 8.429 3.679 0.272 204 1HE LYS 29 1HE LYS 29 6.999 4.000 2.947 205 2HE LYS 29 2HE LYS 29 8.596 3.252 2.841 206 1HZ LYS 29 1HZ LYS 29 8.181 5.895 1.630 207 2HZ LYS 29 2HZ LYS 29 8.462 5.742 3.267 208 3HZ LYS 29 3HZ LYS 29 9.542 5.258 2.199 209 H GLY 30 H GLY 30 3.479 4.128 -3.643 210 1HA GLY 30 1HA GLY 30 3.770 4.446 -5.964 211 2HA GLY 30 2HA GLY 30 4.826 5.852 -5.679 212 H SER 31 H SER 31 1.916 5.227 -3.774 213 HA SER 31 HA SER 31 0.186 6.867 -5.479 214 1HB SER 31 1HB SER 31 -0.398 5.631 -2.769 215 2HB SER 31 2HB SER 31 -1.553 6.118 -4.011 216 HG SER 31 HG SER 31 0.361 4.005 -4.080 217 H CYS 32 H CYS 32 1.417 6.958 -2.063 218 HA CYS 32 HA CYS 32 0.356 9.761 -1.925 219 1HB CYS 32 1HB CYS 32 0.221 7.558 0.083 220 2HB CYS 32 2HB CYS 32 -0.217 9.215 0.461 221 HA PRO 33 HA PRO 33 4.403 10.734 -0.433 222 1HB PRO 33 1HB PRO 33 3.964 13.195 0.733 223 2HB PRO 33 2HB PRO 33 3.906 12.949 -1.035 224 1HG PRO 33 1HG PRO 33 1.560 12.991 0.879 225 2HG PRO 33 2HG PRO 33 1.731 13.865 -0.677 226 1HD PRO 33 1HD PRO 33 0.405 11.512 -0.487 227 2HD PRO 33 2HD PRO 33 1.386 11.921 -1.931 228 HA PRO 34 HA PRO 34 4.354 9.300 3.755 229 1HB PRO 34 1HB PRO 34 6.557 10.704 4.878 230 2HB PRO 34 2HB PRO 34 6.736 9.266 3.903 231 1HG PRO 34 1HG PRO 34 6.946 12.120 3.027 232 2HG PRO 34 2HG PRO 34 7.966 10.726 2.549 233 1HD PRO 34 1HD PRO 34 6.021 11.716 0.944 234 2HD PRO 34 2HD PRO 34 6.333 9.958 1.022 235 HA PRO 35 HA PRO 35 4.423 9.117 6.001 236 1HB PRO 35 1HB PRO 35 2.852 9.124 8.185 237 2HB PRO 35 2HB PRO 35 4.338 10.111 8.133 238 1HG PRO 35 1HG PRO 35 1.503 10.988 7.528 239 2HG PRO 35 2HG PRO 35 2.652 11.765 8.665 240 1HD PRO 35 1HD PRO 35 2.266 12.581 6.056 241 2HD PRO 35 2HD PRO 35 3.860 12.722 6.852 242 H TRP 36 H TRP 36 2.765 7.302 6.510 243 HA TRP 36 HA TRP 36 0.352 7.522 4.745 244 1HB TRP 36 1HB TRP 36 2.094 5.147 5.407 245 2HB TRP 36 2HB TRP 36 0.618 5.083 4.456 246 HD1 TRP 36 HD1 TRP 36 0.678 6.267 2.018 247 HE1 TRP 36 HE1 TRP 36 2.550 7.013 0.458 248 HE3 TRP 36 HE3 TRP 36 4.584 5.914 5.260 249 HZ2 TRP 36 HZ2 TRP 36 5.321 7.638 0.646 250 HZ3 TRP 36 HZ3 TRP 36 6.787 6.798 4.609 251 HH2 TRP 36 HH2 TRP 36 7.178 7.669 2.300 252 H SER 37 H SER 37 -1.499 6.223 5.455 253 HA SER 37 HA SER 37 -1.683 5.885 8.424 254 1HB SER 37 1HB SER 37 -3.198 7.642 7.409 255 2HB SER 37 2HB SER 37 -3.889 6.364 6.395 256 HG SER 37 HG SER 37 -4.247 5.219 8.427 No H/Q in entry = 256 Start of MODEL 12 1 H1 ASP 1 H1 ASP 1 -8.754 -5.797 -4.717 2 H2 ASP 1 H2 ASP 1 -7.273 -6.260 -5.289 3 H3 ASP 1 H3 ASP 1 -8.680 -7.058 -5.763 4 HA ASP 1 HA ASP 1 -8.928 -7.849 -3.491 5 1HB ASP 1 1HB ASP 1 -7.059 -9.321 -3.365 6 2HB ASP 1 2HB ASP 1 -7.226 -9.021 -5.092 7 H ILE 2 H ILE 2 -7.263 -8.082 -1.372 8 HA ILE 2 HA ILE 2 -7.471 -5.514 -0.266 9 HB ILE 2 HB ILE 2 -7.442 -7.727 0.860 10 1HG1 ILE 2 1HG1 ILE 2 -6.185 -7.060 2.932 11 2HG1 ILE 2 2HG1 ILE 2 -5.683 -5.584 2.112 12 1HG2 ILE 2 1HG2 ILE 2 -5.222 -8.549 -0.162 13 2HG2 ILE 2 2HG2 ILE 2 -4.413 -7.448 0.968 14 3HG2 ILE 2 3HG2 ILE 2 -5.384 -8.791 1.588 15 1HD1 ILE 2 1HD1 ILE 2 -8.585 -6.461 2.471 16 2HD1 ILE 2 2HD1 ILE 2 -7.703 -5.529 3.688 17 3HD1 ILE 2 3HD1 ILE 2 -7.965 -4.824 2.078 18 H CYS 3 H CYS 3 -4.788 -6.922 -2.113 19 HA CYS 3 HA CYS 3 -2.806 -4.986 -1.282 20 1HB CYS 3 1HB CYS 3 -2.863 -7.062 -3.230 21 2HB CYS 3 2HB CYS 3 -2.624 -5.569 -4.135 22 H ASP 4 H ASP 4 -5.322 -4.929 -3.800 23 HA ASP 4 HA ASP 4 -4.628 -2.319 -4.842 24 1HB ASP 4 1HB ASP 4 -6.170 -3.705 -6.136 25 2HB ASP 4 2HB ASP 4 -7.320 -3.767 -4.785 26 H ILE 5 H ILE 5 -6.835 -3.504 -2.342 27 HA ILE 5 HA ILE 5 -7.915 -1.073 -1.555 28 HB ILE 5 HB ILE 5 -7.286 -3.441 0.249 29 1HG1 ILE 5 1HG1 ILE 5 -9.674 -2.655 -1.432 30 2HG1 ILE 5 2HG1 ILE 5 -8.699 -4.049 -1.651 31 1HG2 ILE 5 1HG2 ILE 5 -7.672 -1.428 1.591 32 2HG2 ILE 5 2HG2 ILE 5 -9.230 -1.189 0.768 33 3HG2 ILE 5 3HG2 ILE 5 -8.943 -2.610 1.789 34 1HD1 ILE 5 1HD1 ILE 5 -9.601 -4.953 0.541 35 2HD1 ILE 5 2HD1 ILE 5 -10.654 -3.513 0.596 36 3HD1 ILE 5 3HD1 ILE 5 -10.822 -4.678 -0.710 37 H ALA 6 H ALA 6 -5.040 -2.673 -0.125 38 HA ALA 6 HA ALA 6 -4.417 -0.654 1.743 39 1HB ALA 6 1HB ALA 6 -2.131 -1.738 1.699 40 2HB ALA 6 2HB ALA 6 -3.388 -2.995 1.684 41 3HB ALA 6 3HB ALA 6 -2.550 -2.564 0.190 42 H ILE 7 H ILE 7 -3.459 -1.003 -1.693 43 HA ILE 7 HA ILE 7 -1.688 1.259 -1.602 44 HB ILE 7 HB ILE 7 -2.970 -0.045 -3.979 45 1HG1 ILE 7 1HG1 ILE 7 -0.110 -0.300 -2.951 46 2HG1 ILE 7 2HG1 ILE 7 -1.344 -1.388 -2.350 47 1HG2 ILE 7 1HG2 ILE 7 -0.625 1.908 -3.650 48 2HG2 ILE 7 2HG2 ILE 7 -1.062 1.118 -5.163 49 3HG2 ILE 7 3HG2 ILE 7 -2.166 2.282 -4.425 50 1HD1 ILE 7 1HD1 ILE 7 -0.637 -1.090 -5.280 51 2HD1 ILE 7 2HD1 ILE 7 -0.189 -2.422 -4.189 52 3HD1 ILE 7 3HD1 ILE 7 -1.896 -2.140 -4.600 53 H ALA 8 H ALA 8 -5.157 0.854 -2.422 54 HA ALA 8 HA ALA 8 -5.572 3.562 -3.278 55 1HB ALA 8 1HB ALA 8 -7.088 1.709 -3.867 56 2HB ALA 8 2HB ALA 8 -7.493 1.480 -2.160 57 3HB ALA 8 3HB ALA 8 -7.972 2.970 -2.988 58 H GLN 9 H GLN 9 -5.655 1.897 -0.201 59 HA GLN 9 HA GLN 9 -6.549 4.202 1.398 60 1HB GLN 9 1HB GLN 9 -6.037 1.238 1.897 61 2HB GLN 9 2HB GLN 9 -6.218 2.317 3.238 62 1HG GLN 9 1HG GLN 9 -8.399 3.150 2.230 63 2HG GLN 9 2HG GLN 9 -8.188 1.998 0.913 64 2HE2 GLN 9 2HE2 GLN 9 -10.511 1.840 1.891 65 1HE2 GLN 9 1HE2 GLN 9 -10.709 0.442 2.957 66 H CYS 10 H CYS 10 -3.738 3.284 -0.034 67 HA CYS 10 HA CYS 10 -1.582 3.369 0.320 68 1HB CYS 10 1HB CYS 10 -0.777 5.707 0.860 69 2HB CYS 10 2HB CYS 10 -1.641 5.338 -0.629 70 H SER 11 H SER 11 -1.466 1.944 1.903 71 HA SER 11 HA SER 11 -0.688 2.884 4.633 72 1HB SER 11 1HB SER 11 -3.120 2.398 4.656 73 2HB SER 11 2HB SER 11 -2.804 0.799 3.987 74 HG SER 11 HG SER 11 -3.048 1.122 6.379 75 H LEU 12 H LEU 12 1.371 2.102 4.767 76 HA LEU 12 HA LEU 12 2.243 -0.415 3.616 77 1HB LEU 12 1HB LEU 12 3.462 1.219 5.880 78 2HB LEU 12 2HB LEU 12 4.145 -0.217 5.109 79 HG LEU 12 HG LEU 12 3.949 1.120 2.875 80 1HD1 LEU 12 1HD1 LEU 12 4.050 3.381 4.912 81 2HD1 LEU 12 2HD1 LEU 12 4.360 3.521 3.165 82 3HD1 LEU 12 3HD1 LEU 12 2.748 3.088 3.738 83 1HD2 LEU 12 1HD2 LEU 12 6.078 0.404 3.940 84 2HD2 LEU 12 2HD2 LEU 12 6.222 2.026 3.252 85 3HD2 LEU 12 3HD2 LEU 12 6.019 1.819 5.006 86 H THR 13 H THR 13 0.594 0.599 6.599 87 HA THR 13 HA THR 13 0.935 -1.825 7.999 88 HB THR 13 HB THR 13 -1.435 0.104 8.073 89 HG1 THR 13 HG1 THR 13 -0.203 1.424 9.115 90 1HG2 THR 13 1HG2 THR 13 -0.316 -1.833 10.137 91 2HG2 THR 13 2HG2 THR 13 -1.567 -0.594 10.448 92 3HG2 THR 13 3HG2 THR 13 -1.885 -1.927 9.327 93 H LEU 14 H LEU 14 -1.792 -0.760 5.955 94 HA LEU 14 HA LEU 14 -3.106 -3.282 6.064 95 1HB LEU 14 1HB LEU 14 -3.808 -0.828 5.296 96 2HB LEU 14 2HB LEU 14 -3.488 -1.473 3.695 97 HG LEU 14 HG LEU 14 -5.283 -2.811 5.784 98 1HD1 LEU 14 1HD1 LEU 14 -5.980 -0.599 3.824 99 2HD1 LEU 14 2HD1 LEU 14 -7.159 -1.592 4.717 100 3HD1 LEU 14 3HD1 LEU 14 -6.074 -0.510 5.597 101 1HD2 LEU 14 1HD2 LEU 14 -5.371 -2.770 2.750 102 2HD2 LEU 14 2HD2 LEU 14 -4.753 -4.115 3.752 103 3HD2 LEU 14 3HD2 LEU 14 -6.462 -3.646 3.842 104 H CYS 15 H CYS 15 -0.325 -2.198 4.238 105 HA CYS 15 HA CYS 15 -0.590 -4.070 2.077 106 1HB CYS 15 1HB CYS 15 1.811 -2.673 3.267 107 2HB CYS 15 2HB CYS 15 2.010 -3.955 2.092 108 H GLN 16 H GLN 16 0.339 -4.529 5.451 109 HA GLN 16 HA GLN 16 1.548 -7.143 4.975 110 1HB GLN 16 1HB GLN 16 0.536 -5.733 7.440 111 2HB GLN 16 2HB GLN 16 1.264 -7.336 7.464 112 1HG GLN 16 1HG GLN 16 3.380 -6.563 6.771 113 2HG GLN 16 2HG GLN 16 2.750 -5.039 6.138 114 2HE2 GLN 16 2HE2 GLN 16 2.360 -3.312 7.508 115 1HE2 GLN 16 1HE2 GLN 16 2.704 -3.354 9.241 116 H ASP 17 H ASP 17 -1.779 -6.113 4.912 117 HA ASP 17 HA ASP 17 -2.809 -8.807 5.560 118 1HB ASP 17 1HB ASP 17 -4.105 -6.403 4.155 119 2HB ASP 17 2HB ASP 17 -4.801 -8.011 4.271 120 H CYS 18 H CYS 18 -1.639 -6.875 2.796 121 HA CYS 18 HA CYS 18 -2.437 -8.859 0.818 122 1HB CYS 18 1HB CYS 18 -2.307 -6.616 0.080 123 2HB CYS 18 2HB CYS 18 -0.630 -6.421 0.607 124 H GLU 19 H GLU 19 -1.192 -10.278 -0.238 125 HA GLU 19 HA GLU 19 0.721 -11.823 1.053 126 1HB GLU 19 1HB GLU 19 -0.696 -12.479 -0.756 127 2HB GLU 19 2HB GLU 19 0.129 -11.365 -1.838 128 1HG GLU 19 1HG GLU 19 2.188 -12.713 -1.640 129 2HG GLU 19 2HG GLU 19 1.319 -13.864 -0.586 130 H ASN 20 H ASN 20 1.328 -9.558 -1.656 131 HA ASN 20 HA ASN 20 4.163 -9.989 -1.427 132 1HB ASN 20 1HB ASN 20 4.285 -8.810 -3.513 133 2HB ASN 20 2HB ASN 20 3.038 -10.031 -3.538 134 2HD2 ASN 20 2HD2 ASN 20 3.552 -6.525 -3.243 135 1HD2 ASN 20 1HD2 ASN 20 2.212 -6.084 -4.271 136 H THR 21 H THR 21 3.785 -8.891 0.910 137 HA THR 21 HA THR 21 3.280 -6.489 1.506 138 HB THR 21 HB THR 21 5.751 -7.593 2.748 139 HG1 THR 21 HG1 THR 21 4.510 -9.144 3.660 140 1HG2 THR 21 1HG2 THR 21 3.227 -6.266 3.804 141 2HG2 THR 21 2HG2 THR 21 4.510 -6.968 4.805 142 3HG2 THR 21 3HG2 THR 21 4.855 -5.571 3.777 143 HA PRO 22 HA PRO 22 7.234 -4.033 0.804 144 1HB PRO 22 1HB PRO 22 9.301 -4.955 -0.747 145 2HB PRO 22 2HB PRO 22 9.177 -5.310 0.992 146 1HG PRO 22 1HG PRO 22 8.301 -7.067 -1.322 147 2HG PRO 22 2HG PRO 22 9.342 -7.492 0.060 148 1HD PRO 22 1HD PRO 22 6.683 -8.057 0.116 149 2HD PRO 22 2HD PRO 22 7.516 -7.435 1.567 150 H ILE 23 H ILE 23 6.257 -6.104 -1.935 151 HA ILE 23 HA ILE 23 6.763 -4.065 -3.933 152 HB ILE 23 HB ILE 23 5.300 -6.648 -3.856 153 1HG1 ILE 23 1HG1 ILE 23 7.854 -6.348 -3.956 154 2HG1 ILE 23 2HG1 ILE 23 7.047 -7.453 -5.043 155 1HG2 ILE 23 1HG2 ILE 23 5.378 -4.743 -6.233 156 2HG2 ILE 23 2HG2 ILE 23 4.854 -6.434 -6.277 157 3HG2 ILE 23 3HG2 ILE 23 3.928 -5.229 -5.371 158 1HD1 ILE 23 1HD1 ILE 23 7.787 -4.630 -5.837 159 2HD1 ILE 23 2HD1 ILE 23 8.794 -6.063 -6.132 160 3HD1 ILE 23 3HD1 ILE 23 7.202 -5.946 -6.896 161 H CYS 24 H CYS 24 4.096 -4.999 -1.786 162 HA CYS 24 HA CYS 24 2.173 -3.103 -2.810 163 1HB CYS 24 1HB CYS 24 1.474 -5.035 -1.590 164 2HB CYS 24 2HB CYS 24 2.321 -4.534 -0.136 165 H GLU 25 H GLU 25 4.462 -3.026 -0.009 166 HA GLU 25 HA GLU 25 4.045 -0.443 0.946 167 1HB GLU 25 1HB GLU 25 6.546 -2.116 0.565 168 2HB GLU 25 2HB GLU 25 6.643 -0.641 1.389 169 1HG GLU 25 1HG GLU 25 4.896 -1.468 3.035 170 2HG GLU 25 2HG GLU 25 5.069 -3.063 2.307 171 H LEU 26 H LEU 26 6.162 -1.529 -1.688 172 HA LEU 26 HA LEU 26 7.174 0.987 -2.463 173 1HB LEU 26 1HB LEU 26 8.034 -1.277 -2.962 174 2HB LEU 26 2HB LEU 26 6.762 -1.525 -4.150 175 HG LEU 26 HG LEU 26 8.661 0.841 -4.366 176 1HD1 LEU 26 1HD1 LEU 26 9.138 -2.031 -5.160 177 2HD1 LEU 26 2HD1 LEU 26 10.136 -0.658 -5.701 178 3HD1 LEU 26 3HD1 LEU 26 10.085 -1.091 -3.984 179 1HD2 LEU 26 1HD2 LEU 26 7.162 -0.907 -6.380 180 2HD2 LEU 26 2HD2 LEU 26 6.783 0.781 -5.975 181 3HD2 LEU 26 3HD2 LEU 26 8.289 0.380 -6.814 182 H ALA 27 H ALA 27 4.283 -0.794 -3.644 183 HA ALA 27 HA ALA 27 3.516 1.223 -5.544 184 1HB ALA 27 1HB ALA 27 1.824 -0.814 -4.047 185 2HB ALA 27 2HB ALA 27 1.288 0.193 -5.415 186 3HB ALA 27 3HB ALA 27 2.558 -1.012 -5.646 187 H VAL 28 H VAL 28 2.732 0.779 -2.064 188 HA VAL 28 HA VAL 28 0.895 2.883 -1.798 189 HB VAL 28 HB VAL 28 2.733 1.498 0.094 190 1HG1 VAL 28 1HG1 VAL 28 0.907 3.820 0.736 191 2HG1 VAL 28 2HG1 VAL 28 1.450 2.643 1.945 192 3HG1 VAL 28 3HG1 VAL 28 2.647 3.636 1.107 193 1HG2 VAL 28 1HG2 VAL 28 0.691 0.323 -0.725 194 2HG2 VAL 28 2HG2 VAL 28 0.666 0.641 1.025 195 3HG2 VAL 28 3HG2 VAL 28 -0.277 1.653 -0.058 196 H LYS 29 H LYS 29 4.519 2.954 -1.387 197 HA LYS 29 HA LYS 29 4.689 5.747 -0.918 198 1HB LYS 29 1HB LYS 29 6.682 3.779 -2.081 199 2HB LYS 29 2HB LYS 29 6.996 5.409 -1.540 200 1HG LYS 29 1HG LYS 29 6.211 4.729 0.794 201 2HG LYS 29 2HG LYS 29 5.982 3.115 0.179 202 1HD LYS 29 1HD LYS 29 8.054 2.719 0.895 203 2HD LYS 29 2HD LYS 29 8.562 3.444 -0.622 204 1HE LYS 29 1HE LYS 29 8.298 4.802 2.108 205 2HE LYS 29 2HE LYS 29 9.804 4.347 1.310 206 1HZ LYS 29 1HZ LYS 29 9.291 6.044 -0.410 207 2HZ LYS 29 2HZ LYS 29 7.969 6.500 0.434 208 3HZ LYS 29 3HZ LYS 29 9.459 6.634 1.062 209 H GLY 30 H GLY 30 4.549 3.766 -3.853 210 1HA GLY 30 1HA GLY 30 3.882 4.281 -5.949 211 2HA GLY 30 2HA GLY 30 4.920 5.707 -5.850 212 H SER 31 H SER 31 1.819 4.754 -4.173 213 HA SER 31 HA SER 31 0.367 6.429 -5.972 214 1HB SER 31 1HB SER 31 -1.593 5.622 -4.678 215 2HB SER 31 2HB SER 31 -0.548 4.334 -5.303 216 HG SER 31 HG SER 31 -1.262 4.161 -3.028 217 H CYS 32 H CYS 32 1.007 6.655 -2.445 218 HA CYS 32 HA CYS 32 -0.307 9.373 -2.473 219 1HB CYS 32 1HB CYS 32 -0.021 7.242 -0.420 220 2HB CYS 32 2HB CYS 32 -0.314 8.886 0.115 221 HA PRO 33 HA PRO 33 3.602 11.087 -1.343 222 1HB PRO 33 1HB PRO 33 2.883 13.325 0.076 223 2HB PRO 33 2HB PRO 33 2.627 13.162 -1.685 224 1HG PRO 33 1HG PRO 33 0.614 12.705 0.524 225 2HG PRO 33 2HG PRO 33 0.390 13.632 -0.981 226 1HD PRO 33 1HD PRO 33 -0.431 11.043 -0.697 227 2HD PRO 33 2HD PRO 33 0.134 11.688 -2.257 228 HA PRO 34 HA PRO 34 4.263 9.472 2.738 229 1HB PRO 34 1HB PRO 34 6.551 10.736 3.576 230 2HB PRO 34 2HB PRO 34 6.557 9.642 2.190 231 1HG PRO 34 1HG PRO 34 6.324 12.642 2.051 232 2HG PRO 34 2HG PRO 34 7.471 11.571 1.184 233 1HD PRO 34 1HD PRO 34 5.163 12.401 0.030 234 2HD PRO 34 2HD PRO 34 5.773 10.741 -0.239 235 HA PRO 35 HA PRO 35 4.460 9.140 4.903 236 1HB PRO 35 1HB PRO 35 3.234 8.995 7.304 237 2HB PRO 35 2HB PRO 35 4.698 9.996 7.078 238 1HG PRO 35 1HG PRO 35 1.802 10.918 7.044 239 2HG PRO 35 2HG PRO 35 3.167 11.616 7.961 240 1HD PRO 35 1HD PRO 35 2.338 12.584 5.504 241 2HD PRO 35 2HD PRO 35 4.032 12.665 6.048 242 H TRP 36 H TRP 36 2.936 7.211 5.354 243 HA TRP 36 HA TRP 36 0.693 7.491 3.448 244 1HB TRP 36 1HB TRP 36 2.173 5.121 4.614 245 2HB TRP 36 2HB TRP 36 0.889 5.001 3.397 246 HD1 TRP 36 HD1 TRP 36 1.286 6.140 1.063 247 HE1 TRP 36 HE1 TRP 36 3.267 7.218 -0.143 248 HE3 TRP 36 HE3 TRP 36 4.707 5.725 4.808 249 HZ2 TRP 36 HZ2 TRP 36 6.085 7.767 0.482 250 HZ3 TRP 36 HZ3 TRP 36 7.041 6.473 4.485 251 HH2 TRP 36 HH2 TRP 36 7.721 7.557 2.385 252 H SER 37 H SER 37 -0.243 8.815 5.238 253 HA SER 37 HA SER 37 -1.864 7.144 7.094 254 1HB SER 37 1HB SER 37 -0.192 8.767 8.100 255 2HB SER 37 2HB SER 37 -1.063 10.087 7.303 256 HG SER 37 HG SER 37 -2.868 9.596 8.521 No H/Q in entry = 256 Start of MODEL 13 1 H1 ASP 1 H1 ASP 1 -6.645 -6.125 -5.273 2 H2 ASP 1 H2 ASP 1 -7.800 -6.976 -6.099 3 H3 ASP 1 H3 ASP 1 -8.231 -5.726 -5.152 4 HA ASP 1 HA ASP 1 -8.702 -7.690 -3.903 5 1HB ASP 1 1HB ASP 1 -7.128 -9.353 -3.463 6 2HB ASP 1 2HB ASP 1 -6.910 -9.035 -5.182 7 H ILE 2 H ILE 2 -7.431 -8.052 -1.489 8 HA ILE 2 HA ILE 2 -7.560 -5.530 -0.278 9 HB ILE 2 HB ILE 2 -7.725 -7.747 0.807 10 1HG1 ILE 2 1HG1 ILE 2 -6.501 -7.269 2.896 11 2HG1 ILE 2 2HG1 ILE 2 -5.691 -5.897 2.138 12 1HG2 ILE 2 1HG2 ILE 2 -5.643 -8.778 -0.253 13 2HG2 ILE 2 2HG2 ILE 2 -4.673 -7.780 0.843 14 3HG2 ILE 2 3HG2 ILE 2 -5.766 -9.012 1.495 15 1HD1 ILE 2 1HD1 ILE 2 -8.718 -6.181 2.320 16 2HD1 ILE 2 2HD1 ILE 2 -7.742 -5.453 3.605 17 3HD1 ILE 2 3HD1 ILE 2 -7.774 -4.703 2.003 18 H CYS 3 H CYS 3 -4.759 -7.048 -1.868 19 HA CYS 3 HA CYS 3 -2.765 -5.255 -0.905 20 1HB CYS 3 1HB CYS 3 -2.570 -7.295 -2.503 21 2HB CYS 3 2HB CYS 3 -2.921 -6.143 -3.800 22 H ASP 4 H ASP 4 -5.069 -4.987 -3.572 23 HA ASP 4 HA ASP 4 -4.165 -2.437 -4.603 24 1HB ASP 4 1HB ASP 4 -5.551 -3.993 -5.960 25 2HB ASP 4 2HB ASP 4 -6.906 -3.751 -4.837 26 H ILE 5 H ILE 5 -6.642 -3.554 -2.319 27 HA ILE 5 HA ILE 5 -7.742 -1.069 -1.621 28 HB ILE 5 HB ILE 5 -7.313 -3.424 0.224 29 1HG1 ILE 5 1HG1 ILE 5 -9.572 -2.629 -1.647 30 2HG1 ILE 5 2HG1 ILE 5 -8.557 -4.024 -1.807 31 1HG2 ILE 5 1HG2 ILE 5 -9.176 -1.065 0.472 32 2HG2 ILE 5 2HG2 ILE 5 -9.164 -2.500 1.529 33 3HG2 ILE 5 3HG2 ILE 5 -7.774 -1.433 1.502 34 1HD1 ILE 5 1HD1 ILE 5 -9.544 -4.829 0.444 35 2HD1 ILE 5 2HD1 ILE 5 -10.725 -3.519 0.236 36 3HD1 ILE 5 3HD1 ILE 5 -10.597 -4.809 -0.976 37 H ALA 6 H ALA 6 -4.935 -2.747 -0.039 38 HA ALA 6 HA ALA 6 -4.248 -0.679 1.744 39 1HB ALA 6 1HB ALA 6 -1.995 -1.728 1.747 40 2HB ALA 6 2HB ALA 6 -3.241 -2.999 1.735 41 3HB ALA 6 3HB ALA 6 -2.376 -2.595 0.253 42 H ILE 7 H ILE 7 -3.409 -1.048 -1.685 43 HA ILE 7 HA ILE 7 -1.624 1.188 -1.729 44 HB ILE 7 HB ILE 7 -3.034 -0.302 -3.943 45 1HG1 ILE 7 1HG1 ILE 7 -0.101 -0.307 -3.108 46 2HG1 ILE 7 2HG1 ILE 7 -1.235 -1.416 -2.367 47 1HG2 ILE 7 1HG2 ILE 7 -0.786 1.748 -4.079 48 2HG2 ILE 7 2HG2 ILE 7 -1.361 0.769 -5.435 49 3HG2 ILE 7 3HG2 ILE 7 -2.431 1.975 -4.726 50 1HD1 ILE 7 1HD1 ILE 7 -1.828 -2.383 -4.532 51 2HD1 ILE 7 2HD1 ILE 7 -0.655 -1.326 -5.345 52 3HD1 ILE 7 3HD1 ILE 7 -0.099 -2.534 -4.167 53 H ALA 8 H ALA 8 -5.083 0.902 -2.582 54 HA ALA 8 HA ALA 8 -5.534 3.636 -3.259 55 1HB ALA 8 1HB ALA 8 -7.157 1.917 -3.784 56 2HB ALA 8 2HB ALA 8 -7.335 1.473 -2.073 57 3HB ALA 8 3HB ALA 8 -7.897 3.051 -2.623 58 H GLN 9 H GLN 9 -5.560 1.894 -0.215 59 HA GLN 9 HA GLN 9 -6.452 4.101 1.497 60 1HB GLN 9 1HB GLN 9 -5.200 1.377 2.011 61 2HB GLN 9 2HB GLN 9 -5.781 2.404 3.296 62 1HG GLN 9 1HG GLN 9 -7.548 1.299 1.047 63 2HG GLN 9 2HG GLN 9 -7.361 0.583 2.644 64 2HE2 GLN 9 2HE2 GLN 9 -9.333 2.479 0.783 65 1HE2 GLN 9 1HE2 GLN 9 -10.253 3.179 2.096 66 H CYS 10 H CYS 10 -3.622 3.315 -0.128 67 HA CYS 10 HA CYS 10 -1.444 3.346 0.162 68 1HB CYS 10 1HB CYS 10 -0.544 5.670 0.428 69 2HB CYS 10 2HB CYS 10 -1.573 5.283 -0.925 70 H SER 11 H SER 11 -1.660 2.009 2.061 71 HA SER 11 HA SER 11 -0.576 3.284 4.530 72 1HB SER 11 1HB SER 11 -3.041 3.196 4.717 73 2HB SER 11 2HB SER 11 -3.011 1.459 4.387 74 HG SER 11 HG SER 11 -3.094 2.003 6.641 75 H LEU 12 H LEU 12 1.295 2.261 4.933 76 HA LEU 12 HA LEU 12 1.993 -0.265 3.756 77 1HB LEU 12 1HB LEU 12 3.333 1.028 6.123 78 2HB LEU 12 2HB LEU 12 3.980 -0.184 5.024 79 HG LEU 12 HG LEU 12 3.348 2.738 4.370 80 1HD1 LEU 12 1HD1 LEU 12 5.866 1.042 4.600 81 2HD1 LEU 12 2HD1 LEU 12 5.837 2.586 3.773 82 3HD1 LEU 12 3HD1 LEU 12 5.454 2.528 5.503 83 1HD2 LEU 12 1HD2 LEU 12 2.940 1.106 2.377 84 2HD2 LEU 12 2HD2 LEU 12 4.126 2.408 2.154 85 3HD2 LEU 12 3HD2 LEU 12 4.688 0.794 2.487 86 H THR 13 H THR 13 0.763 0.684 7.029 87 HA THR 13 HA THR 13 0.938 -1.884 8.149 88 HB THR 13 HB THR 13 -1.290 0.169 8.523 89 HG1 THR 13 HG1 THR 13 0.888 -0.273 10.245 90 1HG2 THR 13 1HG2 THR 13 -0.351 -2.164 10.271 91 2HG2 THR 13 2HG2 THR 13 -1.512 -0.912 10.773 92 3HG2 THR 13 3HG2 THR 13 -1.909 -2.027 9.475 93 H LEU 14 H LEU 14 -1.508 -0.692 5.809 94 HA LEU 14 HA LEU 14 -3.044 -3.146 6.111 95 1HB LEU 14 1HB LEU 14 -3.709 -0.694 5.257 96 2HB LEU 14 2HB LEU 14 -3.433 -1.448 3.698 97 HG LEU 14 HG LEU 14 -5.273 -2.312 5.991 98 1HD1 LEU 14 1HD1 LEU 14 -5.976 -0.205 4.811 99 2HD1 LEU 14 2HD1 LEU 14 -5.946 -1.105 3.278 100 3HD1 LEU 14 3HD1 LEU 14 -7.111 -1.543 4.540 101 1HD2 LEU 14 1HD2 LEU 14 -4.914 -3.442 3.219 102 2HD2 LEU 14 2HD2 LEU 14 -4.661 -4.255 4.796 103 3HD2 LEU 14 3HD2 LEU 14 -6.295 -3.788 4.297 104 H CYS 15 H CYS 15 -0.173 -2.207 4.347 105 HA CYS 15 HA CYS 15 -0.493 -4.097 2.164 106 1HB CYS 15 1HB CYS 15 1.966 -2.724 3.305 107 2HB CYS 15 2HB CYS 15 2.067 -3.973 2.096 108 H GLN 16 H GLN 16 0.219 -4.451 5.531 109 HA GLN 16 HA GLN 16 1.569 -6.942 5.557 110 1HB GLN 16 1HB GLN 16 -0.671 -5.896 7.310 111 2HB GLN 16 2HB GLN 16 0.356 -7.263 7.705 112 1HG GLN 16 1HG GLN 16 1.531 -4.471 7.157 113 2HG GLN 16 2HG GLN 16 0.971 -4.972 8.740 114 2HE2 GLN 16 2HE2 GLN 16 1.825 -7.208 9.423 115 1HE2 GLN 16 1HE2 GLN 16 3.566 -7.463 9.180 116 H ASP 17 H ASP 17 -1.917 -6.136 4.963 117 HA ASP 17 HA ASP 17 -2.701 -8.935 4.882 118 1HB ASP 17 1HB ASP 17 -4.177 -6.461 3.870 119 2HB ASP 17 2HB ASP 17 -4.799 -8.103 3.975 120 H CYS 18 H CYS 18 -0.962 -6.979 2.642 121 HA CYS 18 HA CYS 18 -2.141 -8.151 0.227 122 1HB CYS 18 1HB CYS 18 -1.017 -5.944 0.107 123 2HB CYS 18 2HB CYS 18 0.489 -6.677 0.623 124 H GLU 19 H GLU 19 -1.130 -9.772 -1.036 125 HA GLU 19 HA GLU 19 0.115 -12.004 0.080 126 1HB GLU 19 1HB GLU 19 -0.998 -11.931 -2.027 127 2HB GLU 19 2HB GLU 19 0.225 -10.844 -2.670 128 1HG GLU 19 1HG GLU 19 1.900 -12.661 -2.537 129 2HG GLU 19 2HG GLU 19 0.677 -13.731 -1.825 130 H ASN 20 H ASN 20 1.643 -9.380 -1.793 131 HA ASN 20 HA ASN 20 4.292 -9.967 -0.615 132 1HB ASN 20 1HB ASN 20 5.060 -8.790 -2.694 133 2HB ASN 20 2HB ASN 20 4.357 -10.392 -2.853 134 2HD2 ASN 20 2HD2 ASN 20 2.877 -7.056 -2.814 135 1HD2 ASN 20 1HD2 ASN 20 2.058 -7.281 -4.354 136 H THR 21 H THR 21 3.842 -8.745 1.320 137 HA THR 21 HA THR 21 2.978 -6.178 1.531 138 HB THR 21 HB THR 21 5.089 -7.508 3.154 139 HG1 THR 21 HG1 THR 21 2.240 -7.529 3.142 140 1HG2 THR 21 1HG2 THR 21 3.158 -5.318 4.007 141 2HG2 THR 21 2HG2 THR 21 4.234 -6.245 5.057 142 3HG2 THR 21 3HG2 THR 21 4.911 -5.150 3.844 143 HA PRO 22 HA PRO 22 7.180 -4.046 0.930 144 1HB PRO 22 1HB PRO 22 9.217 -5.198 -0.491 145 2HB PRO 22 2HB PRO 22 8.995 -5.499 1.241 146 1HG PRO 22 1HG PRO 22 8.063 -7.267 -1.031 147 2HG PRO 22 2HG PRO 22 8.961 -7.751 0.428 148 1HD PRO 22 1HD PRO 22 6.297 -8.016 0.275 149 2HD PRO 22 2HD PRO 22 7.046 -7.503 1.807 150 H ILE 23 H ILE 23 6.227 -6.172 -1.788 151 HA ILE 23 HA ILE 23 6.786 -4.270 -3.876 152 HB ILE 23 HB ILE 23 5.051 -6.657 -3.570 153 1HG1 ILE 23 1HG1 ILE 23 7.653 -6.633 -3.786 154 2HG1 ILE 23 2HG1 ILE 23 6.695 -7.750 -4.725 155 1HG2 ILE 23 1HG2 ILE 23 5.202 -4.891 -6.032 156 2HG2 ILE 23 2HG2 ILE 23 4.637 -6.579 -6.037 157 3HG2 ILE 23 3HG2 ILE 23 3.752 -5.355 -5.123 158 1HD1 ILE 23 1HD1 ILE 23 7.613 -5.092 -5.852 159 2HD1 ILE 23 2HD1 ILE 23 8.543 -6.588 -6.003 160 3HD1 ILE 23 3HD1 ILE 23 6.930 -6.467 -6.729 161 H CYS 24 H CYS 24 4.034 -5.015 -1.779 162 HA CYS 24 HA CYS 24 2.175 -3.097 -2.846 163 1HB CYS 24 1HB CYS 24 1.442 -4.940 -1.592 164 2HB CYS 24 2HB CYS 24 2.341 -4.505 -0.160 165 H GLU 25 H GLU 25 4.522 -2.987 -0.130 166 HA GLU 25 HA GLU 25 3.995 -0.437 0.819 167 1HB GLU 25 1HB GLU 25 6.461 -2.169 0.617 168 2HB GLU 25 2HB GLU 25 6.685 -0.594 1.144 169 1HG GLU 25 1HG GLU 25 4.713 -1.284 2.915 170 2HG GLU 25 2HG GLU 25 5.301 -2.878 2.513 171 H LEU 26 H LEU 26 6.154 -1.472 -1.803 172 HA LEU 26 HA LEU 26 7.148 1.087 -2.504 173 1HB LEU 26 1HB LEU 26 7.900 -1.292 -3.150 174 2HB LEU 26 2HB LEU 26 6.781 -1.105 -4.489 175 HG LEU 26 HG LEU 26 9.192 -0.547 -4.812 176 1HD1 LEU 26 1HD1 LEU 26 7.420 0.227 -6.374 177 2HD1 LEU 26 2HD1 LEU 26 7.387 1.791 -5.524 178 3HD1 LEU 26 3HD1 LEU 26 8.854 1.258 -6.365 179 1HD2 LEU 26 1HD2 LEU 26 9.579 0.715 -2.698 180 2HD2 LEU 26 2HD2 LEU 26 10.257 1.415 -4.177 181 3HD2 LEU 26 3HD2 LEU 26 8.796 2.119 -3.484 182 H ALA 27 H ALA 27 4.326 -0.791 -3.714 183 HA ALA 27 HA ALA 27 3.424 1.202 -5.568 184 1HB ALA 27 1HB ALA 27 1.869 -0.952 -4.101 185 2HB ALA 27 2HB ALA 27 1.285 0.010 -5.483 186 3HB ALA 27 3HB ALA 27 2.651 -1.106 -5.683 187 H VAL 28 H VAL 28 2.840 0.762 -2.077 188 HA VAL 28 HA VAL 28 0.811 2.731 -1.813 189 HB VAL 28 HB VAL 28 2.672 1.425 0.106 190 1HG1 VAL 28 1HG1 VAL 28 0.890 3.824 0.635 191 2HG1 VAL 28 2HG1 VAL 28 1.324 2.685 1.927 192 3HG1 VAL 28 3HG1 VAL 28 2.592 3.544 1.065 193 1HG2 VAL 28 1HG2 VAL 28 0.627 0.228 -0.636 194 2HG2 VAL 28 2HG2 VAL 28 0.578 0.640 1.100 195 3HG2 VAL 28 3HG2 VAL 28 -0.344 1.582 -0.051 196 H LYS 29 H LYS 29 4.454 3.039 -1.244 197 HA LYS 29 HA LYS 29 4.532 5.830 -1.069 198 1HB LYS 29 1HB LYS 29 6.329 3.826 -2.547 199 2HB LYS 29 2HB LYS 29 6.669 5.520 -2.297 200 1HG LYS 29 1HG LYS 29 6.981 5.255 0.058 201 2HG LYS 29 2HG LYS 29 6.519 3.527 0.008 202 1HD LYS 29 1HD LYS 29 8.452 2.871 -1.138 203 2HD LYS 29 2HD LYS 29 8.631 4.431 -1.934 204 1HE LYS 29 1HE LYS 29 10.423 4.365 -0.503 205 2HE LYS 29 2HE LYS 29 9.294 5.473 0.269 206 1HZ LYS 29 1HZ LYS 29 8.707 3.280 1.657 207 2HZ LYS 29 2HZ LYS 29 10.121 2.780 1.057 208 3HZ LYS 29 3HZ LYS 29 10.137 4.111 1.910 209 H GLY 30 H GLY 30 4.420 3.787 -4.016 210 1HA GLY 30 1HA GLY 30 3.682 4.222 -6.139 211 2HA GLY 30 2HA GLY 30 4.448 5.816 -5.942 212 H SER 31 H SER 31 1.723 4.663 -4.007 213 HA SER 31 HA SER 31 -0.264 6.053 -5.596 214 1HB SER 31 1HB SER 31 -0.732 3.957 -4.457 215 2HB SER 31 2HB SER 31 -0.369 4.675 -2.881 216 HG SER 31 HG SER 31 -2.568 4.646 -3.171 217 H CYS 32 H CYS 32 1.166 6.506 -2.323 218 HA CYS 32 HA CYS 32 0.497 9.411 -2.417 219 1HB CYS 32 1HB CYS 32 0.133 7.551 -0.081 220 2HB CYS 32 2HB CYS 32 -0.126 9.266 0.009 221 HA PRO 33 HA PRO 33 4.829 8.901 -1.674 222 1HB PRO 33 1HB PRO 33 5.652 11.500 -1.210 223 2HB PRO 33 2HB PRO 33 5.181 10.855 -2.808 224 1HG PRO 33 1HG PRO 33 3.471 12.438 -0.880 225 2HG PRO 33 2HG PRO 33 3.652 12.679 -2.641 226 1HD PRO 33 1HD PRO 33 1.557 11.313 -1.556 227 2HD PRO 33 2HD PRO 33 2.267 10.836 -3.124 228 HA PRO 34 HA PRO 34 5.178 8.602 2.714 229 1HB PRO 34 1HB PRO 34 7.917 8.489 3.137 230 2HB PRO 34 2HB PRO 34 7.012 7.202 2.311 231 1HG PRO 34 1HG PRO 34 8.529 9.457 1.018 232 2HG PRO 34 2HG PRO 34 8.624 7.711 0.664 233 1HD PRO 34 1HD PRO 34 7.073 9.381 -0.816 234 2HD PRO 34 2HD PRO 34 6.525 7.727 -0.429 235 HA PRO 35 HA PRO 35 5.836 8.778 4.909 236 1HB PRO 35 1HB PRO 35 5.187 9.984 7.212 237 2HB PRO 35 2HB PRO 35 6.878 9.946 6.644 238 1HG PRO 35 1HG PRO 35 4.898 12.228 6.318 239 2HG PRO 35 2HG PRO 35 6.564 12.314 6.943 240 1HD PRO 35 1HD PRO 35 5.944 12.830 4.319 241 2HD PRO 35 2HD PRO 35 7.481 12.046 4.776 242 H TRP 36 H TRP 36 3.856 7.795 5.199 243 HA TRP 36 HA TRP 36 1.418 9.069 4.268 244 1HB TRP 36 1HB TRP 36 1.802 6.385 5.656 245 2HB TRP 36 2HB TRP 36 0.410 6.911 4.697 246 HD1 TRP 36 HD1 TRP 36 0.605 6.559 2.060 247 HE1 TRP 36 HE1 TRP 36 2.425 5.948 0.455 248 HE3 TRP 36 HE3 TRP 36 4.520 5.874 5.378 249 HZ2 TRP 36 HZ2 TRP 36 4.923 4.662 0.678 250 HZ3 TRP 36 HZ3 TRP 36 6.602 4.971 4.622 251 HH2 TRP 36 HH2 TRP 36 6.883 4.331 2.238 252 H SER 37 H SER 37 0.778 10.725 5.617 253 HA SER 37 HA SER 37 0.142 10.163 8.435 254 1HB SER 37 1HB SER 37 1.604 12.656 7.475 255 2HB SER 37 2HB SER 37 1.261 12.188 9.147 256 HG SER 37 HG SER 37 3.019 10.995 7.256 No H/Q in entry = 256 Start of MODEL 14 1 H1 ASP 1 H1 ASP 1 -7.935 -6.263 -5.148 2 H2 ASP 1 H2 ASP 1 -6.538 -6.669 -5.901 3 H3 ASP 1 H3 ASP 1 -7.895 -7.640 -6.011 4 HA ASP 1 HA ASP 1 -7.760 -8.372 -3.860 5 1HB ASP 1 1HB ASP 1 -5.538 -9.219 -3.440 6 2HB ASP 1 2HB ASP 1 -5.939 -9.359 -5.149 7 H ILE 2 H ILE 2 -6.433 -8.190 -1.739 8 HA ILE 2 HA ILE 2 -6.924 -5.743 -0.520 9 HB ILE 2 HB ILE 2 -6.635 -8.016 0.430 10 1HG1 ILE 2 1HG1 ILE 2 -7.102 -6.700 2.089 11 2HG1 ILE 2 2HG1 ILE 2 -5.625 -7.533 2.576 12 1HG2 ILE 2 1HG2 ILE 2 -4.308 -8.462 -0.558 13 2HG2 ILE 2 2HG2 ILE 2 -3.712 -7.344 0.695 14 3HG2 ILE 2 3HG2 ILE 2 -4.481 -8.864 1.161 15 1HD1 ILE 2 1HD1 ILE 2 -4.345 -5.476 1.909 16 2HD1 ILE 2 2HD1 ILE 2 -5.943 -4.672 1.724 17 3HD1 ILE 2 3HD1 ILE 2 -5.458 -5.323 3.295 18 H CYS 3 H CYS 3 -4.048 -6.694 -2.396 19 HA CYS 3 HA CYS 3 -2.251 -4.685 -1.302 20 1HB CYS 3 1HB CYS 3 -2.302 -6.472 -3.666 21 2HB CYS 3 2HB CYS 3 -1.735 -4.847 -4.051 22 H ASP 4 H ASP 4 -4.664 -4.790 -3.900 23 HA ASP 4 HA ASP 4 -4.256 -2.025 -4.673 24 1HB ASP 4 1HB ASP 4 -5.112 -3.701 -6.169 25 2HB ASP 4 2HB ASP 4 -6.605 -3.840 -5.232 26 H ILE 5 H ILE 5 -6.458 -3.667 -2.441 27 HA ILE 5 HA ILE 5 -8.007 -1.415 -1.643 28 HB ILE 5 HB ILE 5 -7.069 -3.696 0.095 29 1HG1 ILE 5 1HG1 ILE 5 -9.574 -3.248 -1.561 30 2HG1 ILE 5 2HG1 ILE 5 -8.373 -4.460 -1.844 31 1HG2 ILE 5 1HG2 ILE 5 -7.839 -1.718 1.403 32 2HG2 ILE 5 2HG2 ILE 5 -9.401 -1.835 0.561 33 3HG2 ILE 5 3HG2 ILE 5 -8.815 -3.159 1.600 34 1HD1 ILE 5 1HD1 ILE 5 -9.017 -5.499 0.401 35 2HD1 ILE 5 2HD1 ILE 5 -10.348 -4.317 0.471 36 3HD1 ILE 5 3HD1 ILE 5 -10.296 -5.492 -0.836 37 H ALA 6 H ALA 6 -4.911 -2.646 -0.302 38 HA ALA 6 HA ALA 6 -4.545 -0.599 1.648 39 1HB ALA 6 1HB ALA 6 -2.268 -1.468 1.795 40 2HB ALA 6 2HB ALA 6 -3.381 -2.844 1.630 41 3HB ALA 6 3HB ALA 6 -2.448 -2.294 0.231 42 H ILE 7 H ILE 7 -3.682 -0.820 -1.788 43 HA ILE 7 HA ILE 7 -2.201 1.643 -1.843 44 HB ILE 7 HB ILE 7 -3.493 0.035 -4.032 45 1HG1 ILE 7 1HG1 ILE 7 -0.528 0.482 -3.466 46 2HG1 ILE 7 2HG1 ILE 7 -1.403 -0.781 -2.614 47 1HG2 ILE 7 1HG2 ILE 7 -1.686 2.483 -4.213 48 2HG2 ILE 7 2HG2 ILE 7 -2.108 1.439 -5.585 49 3HG2 ILE 7 3HG2 ILE 7 -3.364 2.372 -4.776 50 1HD1 ILE 7 1HD1 ILE 7 -2.096 -1.790 -4.770 51 2HD1 ILE 7 2HD1 ILE 7 -1.105 -0.595 -5.627 52 3HD1 ILE 7 3HD1 ILE 7 -0.355 -1.773 -4.523 53 H ALA 8 H ALA 8 -5.650 0.889 -2.494 54 HA ALA 8 HA ALA 8 -6.495 3.504 -3.095 55 1HB ALA 8 1HB ALA 8 -7.937 1.405 -3.175 56 2HB ALA 8 2HB ALA 8 -8.048 1.470 -1.411 57 3HB ALA 8 3HB ALA 8 -8.702 2.791 -2.365 58 H GLN 9 H GLN 9 -6.061 1.853 -0.014 59 HA GLN 9 HA GLN 9 -6.738 4.144 1.678 60 1HB GLN 9 1HB GLN 9 -5.551 1.376 2.126 61 2HB GLN 9 2HB GLN 9 -5.752 2.508 3.429 62 1HG GLN 9 1HG GLN 9 -8.285 2.584 2.264 63 2HG GLN 9 2HG GLN 9 -7.792 0.932 1.906 64 2HE2 GLN 9 2HE2 GLN 9 -9.076 -0.248 3.423 65 1HE2 GLN 9 1HE2 GLN 9 -9.085 0.101 5.123 66 H CYS 10 H CYS 10 -4.028 3.366 -0.143 67 HA CYS 10 HA CYS 10 -1.827 3.195 0.181 68 1HB CYS 10 1HB CYS 10 -0.738 5.480 0.329 69 2HB CYS 10 2HB CYS 10 -1.747 5.050 -1.033 70 H SER 11 H SER 11 -2.171 1.972 2.142 71 HA SER 11 HA SER 11 -0.949 3.282 4.554 72 1HB SER 11 1HB SER 11 -3.288 2.951 5.039 73 2HB SER 11 2HB SER 11 -3.206 1.268 4.505 74 HG SER 11 HG SER 11 -2.385 2.392 6.899 75 H LEU 12 H LEU 12 1.007 2.482 4.823 76 HA LEU 12 HA LEU 12 1.979 0.043 3.700 77 1HB LEU 12 1HB LEU 12 3.057 1.739 5.967 78 2HB LEU 12 2HB LEU 12 3.923 0.435 5.152 79 HG LEU 12 HG LEU 12 2.915 3.011 3.828 80 1HD1 LEU 12 1HD1 LEU 12 5.696 2.012 4.539 81 2HD1 LEU 12 2HD1 LEU 12 5.335 3.476 3.601 82 3HD1 LEU 12 3HD1 LEU 12 4.826 3.363 5.304 83 1HD2 LEU 12 1HD2 LEU 12 2.992 1.088 2.192 84 2HD2 LEU 12 2HD2 LEU 12 4.194 2.323 1.874 85 3HD2 LEU 12 3HD2 LEU 12 4.685 0.820 2.666 86 H THR 13 H THR 13 0.284 0.695 6.714 87 HA THR 13 HA THR 13 1.091 -1.848 7.881 88 HB THR 13 HB THR 13 -1.249 -0.151 8.698 89 HG1 THR 13 HG1 THR 13 1.478 0.138 9.478 90 1HG2 THR 13 1HG2 THR 13 0.713 -1.932 10.248 91 2HG2 THR 13 2HG2 THR 13 -0.636 -1.016 10.949 92 3HG2 THR 13 3HG2 THR 13 -0.960 -2.349 9.837 93 H LEU 14 H LEU 14 -1.886 -0.685 6.093 94 HA LEU 14 HA LEU 14 -3.226 -3.165 6.480 95 1HB LEU 14 1HB LEU 14 -4.325 -1.029 6.017 96 2HB LEU 14 2HB LEU 14 -3.491 -0.952 4.456 97 HG LEU 14 HG LEU 14 -4.516 -2.773 3.586 98 1HD1 LEU 14 1HD1 LEU 14 -5.847 -2.992 6.298 99 2HD1 LEU 14 2HD1 LEU 14 -6.463 -3.841 4.855 100 3HD1 LEU 14 3HD1 LEU 14 -4.850 -4.234 5.475 101 1HD2 LEU 14 1HD2 LEU 14 -5.698 -0.528 3.576 102 2HD2 LEU 14 2HD2 LEU 14 -6.824 -1.906 3.456 103 3HD2 LEU 14 3HD2 LEU 14 -6.606 -1.065 5.003 104 H CYS 15 H CYS 15 -0.702 -1.878 4.334 105 HA CYS 15 HA CYS 15 -0.846 -3.860 2.324 106 1HB CYS 15 1HB CYS 15 1.295 -2.023 3.327 107 2HB CYS 15 2HB CYS 15 1.823 -3.408 2.400 108 H GLN 16 H GLN 16 0.269 -4.224 5.657 109 HA GLN 16 HA GLN 16 1.885 -6.559 5.147 110 1HB GLN 16 1HB GLN 16 0.441 -5.708 7.677 111 2HB GLN 16 2HB GLN 16 1.557 -7.057 7.519 112 1HG GLN 16 1HG GLN 16 3.252 -5.277 6.607 113 2HG GLN 16 2HG GLN 16 2.138 -4.094 7.315 114 2HE2 GLN 16 2HE2 GLN 16 3.954 -7.118 8.048 115 1HE2 GLN 16 1HE2 GLN 16 4.107 -6.856 9.772 116 H ASP 17 H ASP 17 -1.582 -6.097 4.994 117 HA ASP 17 HA ASP 17 -2.283 -8.878 5.500 118 1HB ASP 17 1HB ASP 17 -3.615 -6.672 3.856 119 2HB ASP 17 2HB ASP 17 -4.258 -8.295 4.084 120 H CYS 18 H CYS 18 -1.066 -6.904 2.768 121 HA CYS 18 HA CYS 18 -2.052 -8.756 0.781 122 1HB CYS 18 1HB CYS 18 -1.732 -6.388 0.168 123 2HB CYS 18 2HB CYS 18 0.003 -6.534 0.486 124 H GLU 19 H GLU 19 -1.112 -10.545 0.170 125 HA GLU 19 HA GLU 19 0.816 -12.050 1.115 126 1HB GLU 19 1HB GLU 19 -0.787 -12.440 -0.781 127 2HB GLU 19 2HB GLU 19 0.416 -11.676 -1.816 128 1HG GLU 19 1HG GLU 19 0.661 -14.281 -0.267 129 2HG GLU 19 2HG GLU 19 0.449 -14.107 -2.000 130 H ASN 20 H ASN 20 1.626 -9.844 -1.702 131 HA ASN 20 HA ASN 20 4.485 -10.216 -1.101 132 1HB ASN 20 1HB ASN 20 4.795 -9.215 -3.262 133 2HB ASN 20 2HB ASN 20 3.823 -10.685 -3.358 134 2HD2 ASN 20 2HD2 ASN 20 3.790 -9.193 -5.560 135 1HD2 ASN 20 1HD2 ASN 20 2.261 -8.307 -5.679 136 H THR 21 H THR 21 3.605 -9.004 0.933 137 HA THR 21 HA THR 21 2.987 -6.497 1.256 138 HB THR 21 HB THR 21 5.274 -7.715 2.731 139 HG1 THR 21 HG1 THR 21 2.511 -8.218 2.670 140 1HG2 THR 21 1HG2 THR 21 3.208 -5.614 3.484 141 2HG2 THR 21 2HG2 THR 21 4.276 -6.435 4.643 142 3HG2 THR 21 3HG2 THR 21 4.962 -5.401 3.389 143 HA PRO 22 HA PRO 22 7.117 -4.297 0.482 144 1HB PRO 22 1HB PRO 22 8.960 -5.453 -1.291 145 2HB PRO 22 2HB PRO 22 9.058 -5.584 0.484 146 1HG PRO 22 1HG PRO 22 7.829 -7.536 -1.486 147 2HG PRO 22 2HG PRO 22 8.968 -7.898 -0.157 148 1HD PRO 22 1HD PRO 22 6.344 -8.310 0.168 149 2HD PRO 22 2HD PRO 22 7.260 -7.533 1.484 150 H ILE 23 H ILE 23 5.688 -6.283 -2.149 151 HA ILE 23 HA ILE 23 6.151 -4.274 -4.187 152 HB ILE 23 HB ILE 23 4.131 -6.445 -4.079 153 1HG1 ILE 23 1HG1 ILE 23 6.409 -7.272 -4.025 154 2HG1 ILE 23 2HG1 ILE 23 5.693 -7.501 -5.634 155 1HG2 ILE 23 1HG2 ILE 23 4.946 -4.537 -6.310 156 2HG2 ILE 23 2HG2 ILE 23 4.020 -6.029 -6.552 157 3HG2 ILE 23 3HG2 ILE 23 3.343 -4.723 -5.584 158 1HD1 ILE 23 1HD1 ILE 23 6.996 -5.542 -6.458 159 2HD1 ILE 23 2HD1 ILE 23 7.805 -5.455 -4.873 160 3HD1 ILE 23 3HD1 ILE 23 7.981 -6.896 -5.867 161 H CYS 24 H CYS 24 3.652 -5.159 -1.839 162 HA CYS 24 HA CYS 24 1.694 -3.228 -2.519 163 1HB CYS 24 1HB CYS 24 1.517 -5.215 -0.915 164 2HB CYS 24 2HB CYS 24 2.239 -4.203 0.307 165 H GLU 25 H GLU 25 4.344 -3.100 -0.104 166 HA GLU 25 HA GLU 25 4.042 -0.480 0.822 167 1HB GLU 25 1HB GLU 25 6.308 -2.429 0.468 168 2HB GLU 25 2HB GLU 25 6.735 -0.856 0.929 169 1HG GLU 25 1HG GLU 25 4.682 -1.462 2.767 170 2HG GLU 25 2HG GLU 25 5.496 -3.003 2.531 171 H LEU 26 H LEU 26 5.976 -1.730 -1.898 172 HA LEU 26 HA LEU 26 7.127 0.668 -2.753 173 1HB LEU 26 1HB LEU 26 7.777 -1.578 -3.379 174 2HB LEU 26 2HB LEU 26 6.331 -1.784 -4.353 175 HG LEU 26 HG LEU 26 8.603 -1.174 -5.327 176 1HD1 LEU 26 1HD1 LEU 26 6.508 -1.386 -6.652 177 2HD1 LEU 26 2HD1 LEU 26 6.152 0.328 -6.340 178 3HD1 LEU 26 3HD1 LEU 26 7.574 -0.131 -7.296 179 1HD2 LEU 26 1HD2 LEU 26 9.086 0.793 -4.015 180 2HD2 LEU 26 2HD2 LEU 26 9.141 1.116 -5.761 181 3HD2 LEU 26 3HD2 LEU 26 7.744 1.637 -4.823 182 H ALA 27 H ALA 27 4.131 -0.877 -3.938 183 HA ALA 27 HA ALA 27 3.389 1.190 -5.730 184 1HB ALA 27 1HB ALA 27 2.446 -1.074 -5.800 185 2HB ALA 27 2HB ALA 27 1.161 0.142 -5.639 186 3HB ALA 27 3HB ALA 27 1.674 -0.813 -4.221 187 H VAL 28 H VAL 28 2.503 0.659 -2.276 188 HA VAL 28 HA VAL 28 0.797 2.894 -1.998 189 HB VAL 28 HB VAL 28 2.468 1.362 -0.063 190 1HG1 VAL 28 1HG1 VAL 28 0.669 3.743 0.523 191 2HG1 VAL 28 2HG1 VAL 28 1.178 2.585 1.761 192 3HG1 VAL 28 3HG1 VAL 28 2.383 3.587 0.948 193 1HG2 VAL 28 1HG2 VAL 28 -0.506 1.673 -0.557 194 2HG2 VAL 28 2HG2 VAL 28 0.451 0.242 -0.922 195 3HG2 VAL 28 3HG2 VAL 28 0.166 0.743 0.768 196 H LYS 29 H LYS 29 4.420 2.661 -1.512 197 HA LYS 29 HA LYS 29 4.647 5.392 -0.776 198 1HB LYS 29 1HB LYS 29 6.559 3.285 -1.906 199 2HB LYS 29 2HB LYS 29 7.066 4.918 -1.475 200 1HG LYS 29 1HG LYS 29 6.425 4.611 0.820 201 2HG LYS 29 2HG LYS 29 5.679 3.050 0.473 202 1HD LYS 29 1HD LYS 29 7.812 2.056 -0.059 203 2HD LYS 29 2HD LYS 29 8.658 3.597 0.118 204 1HE LYS 29 1HE LYS 29 7.169 2.177 2.380 205 2HE LYS 29 2HE LYS 29 8.901 2.033 2.071 206 1HZ LYS 29 1HZ LYS 29 7.606 4.599 2.723 207 2HZ LYS 29 2HZ LYS 29 8.408 3.678 3.781 208 3HZ LYS 29 3HZ LYS 29 9.213 4.336 2.544 209 H GLY 30 H GLY 30 4.517 3.666 -3.884 210 1HA GLY 30 1HA GLY 30 4.274 4.425 -6.022 211 2HA GLY 30 2HA GLY 30 5.226 5.854 -5.597 212 H SER 31 H SER 31 2.253 4.893 -3.943 213 HA SER 31 HA SER 31 0.477 6.426 -5.632 214 1HB SER 31 1HB SER 31 -0.117 4.250 -4.578 215 2HB SER 31 2HB SER 31 0.010 4.997 -2.977 216 HG SER 31 HG SER 31 -1.992 5.217 -4.874 217 H CYS 32 H CYS 32 1.622 6.688 -2.207 218 HA CYS 32 HA CYS 32 0.650 9.522 -2.149 219 1HB CYS 32 1HB CYS 32 0.236 7.363 -0.092 220 2HB CYS 32 2HB CYS 32 -0.178 9.047 0.178 221 HA PRO 33 HA PRO 33 4.719 9.912 -0.371 222 1HB PRO 33 1HB PRO 33 4.651 12.450 0.612 223 2HB PRO 33 2HB PRO 33 4.538 12.125 -1.137 224 1HG PRO 33 1HG PRO 33 2.298 12.671 0.819 225 2HG PRO 33 2HG PRO 33 2.555 13.389 -0.803 226 1HD PRO 33 1HD PRO 33 0.859 11.258 -0.317 227 2HD PRO 33 2HD PRO 33 1.714 11.509 -1.860 228 HA PRO 34 HA PRO 34 4.328 9.075 3.968 229 1HB PRO 34 1HB PRO 34 6.713 10.053 5.047 230 2HB PRO 34 2HB PRO 34 6.651 8.580 4.095 231 1HG PRO 34 1HG PRO 34 7.384 11.334 3.153 232 2HG PRO 34 2HG PRO 34 8.187 9.775 2.788 233 1HD PRO 34 1HD PRO 34 6.449 10.962 1.043 234 2HD PRO 34 2HD PRO 34 6.531 9.187 1.220 235 HA PRO 35 HA PRO 35 4.421 9.242 6.262 236 1HB PRO 35 1HB PRO 35 2.763 9.783 8.307 237 2HB PRO 35 2HB PRO 35 4.408 10.474 8.242 238 1HG PRO 35 1HG PRO 35 1.820 11.821 7.402 239 2HG PRO 35 2HG PRO 35 3.088 12.467 8.484 240 1HD PRO 35 1HD PRO 35 2.996 13.061 5.807 241 2HD PRO 35 2HD PRO 35 4.549 12.863 6.675 242 H TRP 36 H TRP 36 2.880 7.509 6.216 243 HA TRP 36 HA TRP 36 0.403 7.991 4.633 244 1HB TRP 36 1HB TRP 36 1.700 5.416 5.602 245 2HB TRP 36 2HB TRP 36 0.243 5.562 4.628 246 HD1 TRP 36 HD1 TRP 36 0.550 6.263 2.080 247 HE1 TRP 36 HE1 TRP 36 2.529 6.630 0.509 248 HE3 TRP 36 HE3 TRP 36 4.357 5.850 5.473 249 HZ2 TRP 36 HZ2 TRP 36 5.363 6.948 0.728 250 HZ3 TRP 36 HZ3 TRP 36 6.697 6.086 4.731 251 HH2 TRP 36 HH2 TRP 36 7.203 6.741 2.369 252 H SER 37 H SER 37 -0.476 9.346 6.213 253 HA SER 37 HA SER 37 -1.737 8.050 8.545 254 1HB SER 37 1HB SER 37 -0.077 10.612 8.649 255 2HB SER 37 2HB SER 37 -1.017 9.950 9.988 256 HG SER 37 HG SER 37 1.302 9.447 9.950 No H/Q in entry = 256 Start of MODEL 15 1 H1 ASP 1 H1 ASP 1 -8.023 -6.015 -5.556 2 H2 ASP 1 H2 ASP 1 -6.414 -5.887 -5.807 3 H3 ASP 1 H3 ASP 1 -7.253 -7.106 -6.552 4 HA ASP 1 HA ASP 1 -7.542 -8.098 -4.311 5 1HB ASP 1 1HB ASP 1 -5.131 -8.693 -3.973 6 2HB ASP 1 2HB ASP 1 -5.646 -8.863 -5.647 7 H ILE 2 H ILE 2 -6.211 -8.080 -2.137 8 HA ILE 2 HA ILE 2 -7.002 -5.672 -0.805 9 HB ILE 2 HB ILE 2 -6.819 -8.023 -0.017 10 1HG1 ILE 2 1HG1 ILE 2 -7.436 -6.836 1.705 11 2HG1 ILE 2 2HG1 ILE 2 -6.022 -7.725 2.272 12 1HG2 ILE 2 1HG2 ILE 2 -4.379 -8.414 -0.751 13 2HG2 ILE 2 2HG2 ILE 2 -3.946 -7.417 0.662 14 3HG2 ILE 2 3HG2 ILE 2 -4.770 -8.962 0.890 15 1HD1 ILE 2 1HD1 ILE 2 -4.677 -5.621 1.848 16 2HD1 ILE 2 2HD1 ILE 2 -6.252 -4.801 1.589 17 3HD1 ILE 2 3HD1 ILE 2 -5.897 -5.568 3.145 18 H CYS 3 H CYS 3 -3.980 -6.617 -2.409 19 HA CYS 3 HA CYS 3 -2.334 -4.490 -1.345 20 1HB CYS 3 1HB CYS 3 -2.438 -6.160 -3.865 21 2HB CYS 3 2HB CYS 3 -1.645 -4.603 -3.982 22 H ASP 4 H ASP 4 -4.654 -4.639 -4.110 23 HA ASP 4 HA ASP 4 -4.333 -1.929 -4.940 24 1HB ASP 4 1HB ASP 4 -5.432 -3.671 -6.288 25 2HB ASP 4 2HB ASP 4 -6.758 -3.735 -5.122 26 H ILE 5 H ILE 5 -6.434 -3.477 -2.542 27 HA ILE 5 HA ILE 5 -7.858 -1.156 -1.716 28 HB ILE 5 HB ILE 5 -7.024 -3.601 -0.108 29 1HG1 ILE 5 1HG1 ILE 5 -9.488 -2.949 -1.697 30 2HG1 ILE 5 2HG1 ILE 5 -8.341 -4.179 -2.049 31 1HG2 ILE 5 1HG2 ILE 5 -9.031 -1.475 0.575 32 2HG2 ILE 5 2HG2 ILE 5 -8.848 -3.036 1.424 33 3HG2 ILE 5 3HG2 ILE 5 -7.513 -1.909 1.423 34 1HD1 ILE 5 1HD1 ILE 5 -9.009 -5.208 0.241 35 2HD1 ILE 5 2HD1 ILE 5 -10.388 -4.085 0.177 36 3HD1 ILE 5 3HD1 ILE 5 -10.183 -5.297 -1.097 37 H ALA 6 H ALA 6 -4.927 -2.589 -0.123 38 HA ALA 6 HA ALA 6 -4.510 -0.470 1.718 39 1HB ALA 6 1HB ALA 6 -2.200 -1.445 1.876 40 2HB ALA 6 2HB ALA 6 -3.418 -2.737 1.842 41 3HB ALA 6 3HB ALA 6 -2.489 -2.363 0.387 42 H ILE 7 H ILE 7 -3.569 -0.793 -1.649 43 HA ILE 7 HA ILE 7 -1.759 1.439 -1.760 44 HB ILE 7 HB ILE 7 -3.129 -0.318 -3.787 45 1HG1 ILE 7 1HG1 ILE 7 -0.180 -0.141 -2.973 46 2HG1 ILE 7 2HG1 ILE 7 -1.285 -1.228 -2.165 47 1HG2 ILE 7 1HG2 ILE 7 -2.488 1.949 -4.792 48 2HG2 ILE 7 2HG2 ILE 7 -0.804 1.485 -4.442 49 3HG2 ILE 7 3HG2 ILE 7 -1.792 0.526 -5.548 50 1HD1 ILE 7 1HD1 ILE 7 -1.848 -2.255 -4.405 51 2HD1 ILE 7 2HD1 ILE 7 -0.548 -1.299 -5.104 52 3HD1 ILE 7 3HD1 ILE 7 -0.177 -2.498 -3.849 53 H ALA 8 H ALA 8 -5.210 0.940 -2.510 54 HA ALA 8 HA ALA 8 -5.709 3.622 -3.417 55 1HB ALA 8 1HB ALA 8 -7.146 1.733 -3.904 56 2HB ALA 8 2HB ALA 8 -7.529 1.487 -2.188 57 3HB ALA 8 3HB ALA 8 -8.073 2.957 -3.015 58 H GLN 9 H GLN 9 -5.752 1.981 -0.330 59 HA GLN 9 HA GLN 9 -6.817 4.229 1.223 60 1HB GLN 9 1HB GLN 9 -5.826 1.421 1.877 61 2HB GLN 9 2HB GLN 9 -6.329 2.538 3.119 62 1HG GLN 9 1HG GLN 9 -8.532 2.806 1.644 63 2HG GLN 9 2HG GLN 9 -8.006 1.339 0.861 64 2HE2 GLN 9 2HE2 GLN 9 -7.347 -0.434 2.651 65 1HE2 GLN 9 1HE2 GLN 9 -8.570 -0.646 3.889 66 H CYS 10 H CYS 10 -3.750 3.071 0.212 67 HA CYS 10 HA CYS 10 -1.650 3.516 0.580 68 1HB CYS 10 1HB CYS 10 -0.982 5.920 1.041 69 2HB CYS 10 2HB CYS 10 -1.678 5.408 -0.489 70 H SER 11 H SER 11 -1.662 2.129 2.241 71 HA SER 11 HA SER 11 -0.819 3.215 4.867 72 1HB SER 11 1HB SER 11 -3.165 2.599 5.109 73 2HB SER 11 2HB SER 11 -2.868 1.008 4.405 74 HG SER 11 HG SER 11 -2.834 1.343 6.868 75 H LEU 12 H LEU 12 1.226 2.466 5.067 76 HA LEU 12 HA LEU 12 2.197 0.046 3.744 77 1HB LEU 12 1HB LEU 12 3.349 1.704 6.005 78 2HB LEU 12 2HB LEU 12 4.164 0.366 5.186 79 HG LEU 12 HG LEU 12 3.298 3.015 3.927 80 1HD1 LEU 12 1HD1 LEU 12 6.005 1.774 4.555 81 2HD1 LEU 12 2HD1 LEU 12 5.768 3.285 3.649 82 3HD1 LEU 12 3HD1 LEU 12 5.268 3.183 5.357 83 1HD2 LEU 12 1HD2 LEU 12 3.185 1.153 2.244 84 2HD2 LEU 12 2HD2 LEU 12 4.446 2.331 1.908 85 3HD2 LEU 12 3HD2 LEU 12 4.878 0.772 2.625 86 H THR 13 H THR 13 0.570 0.748 6.817 87 HA THR 13 HA THR 13 1.396 -1.767 7.968 88 HB THR 13 HB THR 13 -1.032 -0.067 8.659 89 HG1 THR 13 HG1 THR 13 1.498 -0.057 9.927 90 1HG2 THR 13 1HG2 THR 13 0.599 -2.065 10.312 91 2HG2 THR 13 2HG2 THR 13 -0.766 -1.091 10.905 92 3HG2 THR 13 3HG2 THR 13 -1.028 -2.342 9.682 93 H LEU 14 H LEU 14 -1.569 -0.718 6.204 94 HA LEU 14 HA LEU 14 -2.843 -3.226 6.506 95 1HB LEU 14 1HB LEU 14 -3.591 -0.785 5.702 96 2HB LEU 14 2HB LEU 14 -3.410 -1.496 4.101 97 HG LEU 14 HG LEU 14 -5.095 -2.492 6.464 98 1HD1 LEU 14 1HD1 LEU 14 -5.820 -0.937 3.951 99 2HD1 LEU 14 2HD1 LEU 14 -6.992 -1.534 5.160 100 3HD1 LEU 14 3HD1 LEU 14 -5.826 -0.273 5.595 101 1HD2 LEU 14 1HD2 LEU 14 -4.937 -3.329 3.570 102 2HD2 LEU 14 2HD2 LEU 14 -4.645 -4.319 5.034 103 3HD2 LEU 14 3HD2 LEU 14 -6.284 -3.751 4.670 104 H CYS 15 H CYS 15 -0.260 -2.164 4.383 105 HA CYS 15 HA CYS 15 -0.616 -4.056 2.309 106 1HB CYS 15 1HB CYS 15 1.813 -2.660 3.453 107 2HB CYS 15 2HB CYS 15 2.007 -3.943 2.287 108 H GLN 16 H GLN 16 0.418 -4.586 5.656 109 HA GLN 16 HA GLN 16 1.586 -7.192 5.107 110 1HB GLN 16 1HB GLN 16 0.577 -5.832 7.604 111 2HB GLN 16 2HB GLN 16 1.257 -7.455 7.625 112 1HG GLN 16 1HG GLN 16 3.399 -6.796 6.978 113 2HG GLN 16 2HG GLN 16 2.848 -5.287 6.236 114 2HE2 GLN 16 2HE2 GLN 16 1.576 -3.859 7.845 115 1HE2 GLN 16 1HE2 GLN 16 2.463 -3.519 9.336 116 H ASP 17 H ASP 17 -1.699 -6.226 4.870 117 HA ASP 17 HA ASP 17 -2.755 -8.934 5.405 118 1HB ASP 17 1HB ASP 17 -3.792 -6.545 3.797 119 2HB ASP 17 2HB ASP 17 -4.492 -8.139 3.723 120 H CYS 18 H CYS 18 -1.378 -6.989 2.718 121 HA CYS 18 HA CYS 18 -2.298 -8.875 0.737 122 1HB CYS 18 1HB CYS 18 -1.988 -6.460 0.149 123 2HB CYS 18 2HB CYS 18 -0.251 -6.643 0.412 124 H GLU 19 H GLU 19 -1.161 -10.653 0.061 125 HA GLU 19 HA GLU 19 0.861 -11.839 1.419 126 1HB GLU 19 1HB GLU 19 -0.267 -13.248 0.053 127 2HB GLU 19 2HB GLU 19 -0.305 -12.112 -1.296 128 1HG GLU 19 1HG GLU 19 0.964 -14.130 -1.809 129 2HG GLU 19 2HG GLU 19 1.927 -12.667 -1.969 130 H ASN 20 H ASN 20 1.415 -10.007 -1.656 131 HA ASN 20 HA ASN 20 4.313 -10.091 -1.187 132 1HB ASN 20 1HB ASN 20 4.376 -8.865 -3.327 133 2HB ASN 20 2HB ASN 20 3.768 -10.502 -3.384 134 2HD2 ASN 20 2HD2 ASN 20 2.658 -7.077 -3.281 135 1HD2 ASN 20 1HD2 ASN 20 1.344 -7.334 -4.427 136 H THR 21 H THR 21 3.783 -9.019 0.924 137 HA THR 21 HA THR 21 2.977 -6.479 1.292 138 HB THR 21 HB THR 21 5.236 -7.717 2.786 139 HG1 THR 21 HG1 THR 21 2.489 -8.327 2.608 140 1HG2 THR 21 1HG2 THR 21 4.679 -5.405 3.537 141 2HG2 THR 21 2HG2 THR 21 2.993 -5.878 3.712 142 3HG2 THR 21 3HG2 THR 21 4.227 -6.619 4.740 143 HA PRO 22 HA PRO 22 7.125 -4.315 0.645 144 1HB PRO 22 1HB PRO 22 9.166 -5.378 -0.855 145 2HB PRO 22 2HB PRO 22 8.969 -5.710 0.887 146 1HG PRO 22 1HG PRO 22 8.054 -7.431 -1.427 147 2HG PRO 22 2HG PRO 22 8.989 -7.935 0.010 148 1HD PRO 22 1HD PRO 22 6.315 -8.288 -0.099 149 2HD PRO 22 2HD PRO 22 7.096 -7.758 1.416 150 H ILE 23 H ILE 23 6.115 -6.338 -2.183 151 HA ILE 23 HA ILE 23 6.348 -4.253 -4.119 152 HB ILE 23 HB ILE 23 4.663 -6.672 -3.785 153 1HG1 ILE 23 1HG1 ILE 23 7.058 -6.655 -4.636 154 2HG1 ILE 23 2HG1 ILE 23 5.833 -7.483 -5.575 155 1HG2 ILE 23 1HG2 ILE 23 4.151 -4.592 -5.938 156 2HG2 ILE 23 2HG2 ILE 23 3.640 -6.299 -6.015 157 3HG2 ILE 23 3HG2 ILE 23 3.008 -5.241 -4.751 158 1HD1 ILE 23 1HD1 ILE 23 6.779 -4.695 -6.282 159 2HD1 ILE 23 2HD1 ILE 23 7.403 -6.208 -6.979 160 3HD1 ILE 23 3HD1 ILE 23 5.713 -5.759 -7.231 161 H CYS 24 H CYS 24 3.768 -5.170 -1.825 162 HA CYS 24 HA CYS 24 1.864 -3.218 -2.602 163 1HB CYS 24 1HB CYS 24 1.429 -5.161 -1.112 164 2HB CYS 24 2HB CYS 24 2.289 -4.378 0.171 165 H GLU 25 H GLU 25 4.395 -3.124 -0.083 166 HA GLU 25 HA GLU 25 4.067 -0.549 0.923 167 1HB GLU 25 1HB GLU 25 6.404 -2.398 0.460 168 2HB GLU 25 2HB GLU 25 6.749 -0.872 1.097 169 1HG GLU 25 1HG GLU 25 5.179 -1.388 3.054 170 2HG GLU 25 2HG GLU 25 5.020 -3.014 2.384 171 H LEU 26 H LEU 26 6.108 -1.673 -1.799 172 HA LEU 26 HA LEU 26 7.109 0.823 -2.578 173 1HB LEU 26 1HB LEU 26 7.870 -1.499 -3.239 174 2HB LEU 26 2HB LEU 26 6.520 -1.610 -4.342 175 HG LEU 26 HG LEU 26 8.143 0.849 -4.731 176 1HD1 LEU 26 1HD1 LEU 26 9.368 -1.909 -5.193 177 2HD1 LEU 26 2HD1 LEU 26 10.019 -0.385 -5.826 178 3HD1 LEU 26 3HD1 LEU 26 9.961 -0.660 -4.077 179 1HD2 LEU 26 1HD2 LEU 26 6.324 -0.038 -6.262 180 2HD2 LEU 26 2HD2 LEU 26 7.887 0.206 -7.074 181 3HD2 LEU 26 3HD2 LEU 26 7.360 -1.426 -6.612 182 H ALA 27 H ALA 27 4.115 -0.822 -3.575 183 HA ALA 27 HA ALA 27 3.347 1.183 -5.488 184 1HB ALA 27 1HB ALA 27 1.719 -0.943 -4.081 185 2HB ALA 27 2HB ALA 27 1.208 0.028 -5.493 186 3HB ALA 27 3HB ALA 27 2.562 -1.111 -5.631 187 H VAL 28 H VAL 28 2.493 0.676 -2.030 188 HA VAL 28 HA VAL 28 0.698 2.867 -1.751 189 HB VAL 28 HB VAL 28 2.522 1.428 0.113 190 1HG1 VAL 28 1HG1 VAL 28 0.736 3.807 0.760 191 2HG1 VAL 28 2HG1 VAL 28 1.309 2.666 1.989 192 3HG1 VAL 28 3HG1 VAL 28 2.478 3.630 1.090 193 1HG2 VAL 28 1HG2 VAL 28 0.439 0.284 -0.630 194 2HG2 VAL 28 2HG2 VAL 28 0.418 0.654 1.107 195 3HG2 VAL 28 3HG2 VAL 28 -0.495 1.660 -0.007 196 H LYS 29 H LYS 29 4.290 2.671 -1.382 197 HA LYS 29 HA LYS 29 4.726 5.417 -0.940 198 1HB LYS 29 1HB LYS 29 6.411 3.210 -2.186 199 2HB LYS 29 2HB LYS 29 6.956 4.852 -1.865 200 1HG LYS 29 1HG LYS 29 6.529 4.547 0.548 201 2HG LYS 29 2HG LYS 29 5.856 2.973 0.262 202 1HD LYS 29 1HD LYS 29 8.206 2.956 1.148 203 2HD LYS 29 2HD LYS 29 7.932 1.994 -0.297 204 1HE LYS 29 1HE LYS 29 10.078 3.335 -0.285 205 2HE LYS 29 2HE LYS 29 9.077 3.507 -1.714 206 1HZ LYS 29 1HZ LYS 29 8.574 5.500 0.308 207 2HZ LYS 29 2HZ LYS 29 10.064 5.571 -0.336 208 3HZ LYS 29 3HZ LYS 29 8.803 5.622 -1.348 209 H GLY 30 H GLY 30 4.228 3.553 -3.913 210 1HA GLY 30 1HA GLY 30 3.702 4.213 -6.017 211 2HA GLY 30 2HA GLY 30 4.757 5.620 -5.807 212 H SER 31 H SER 31 1.900 4.749 -3.912 213 HA SER 31 HA SER 31 0.050 6.052 -5.619 214 1HB SER 31 1HB SER 31 -0.095 4.778 -2.860 215 2HB SER 31 2HB SER 31 -1.492 5.471 -3.640 216 HG SER 31 HG SER 31 0.265 3.485 -4.733 217 H CYS 32 H CYS 32 1.266 6.937 -2.380 218 HA CYS 32 HA CYS 32 -0.310 9.498 -2.549 219 1HB CYS 32 1HB CYS 32 -0.112 7.455 -0.348 220 2HB CYS 32 2HB CYS 32 -0.546 9.112 0.029 221 HA PRO 33 HA PRO 33 3.572 11.267 -1.533 222 1HB PRO 33 1HB PRO 33 2.930 13.372 0.143 223 2HB PRO 33 2HB PRO 33 2.629 13.381 -1.621 224 1HG PRO 33 1HG PRO 33 0.659 12.667 0.571 225 2HG PRO 33 2HG PRO 33 0.396 13.773 -0.810 226 1HD PRO 33 1HD PRO 33 -0.462 11.228 -0.901 227 2HD PRO 33 2HD PRO 33 0.278 11.961 -2.349 228 HA PRO 34 HA PRO 34 4.460 9.298 2.444 229 1HB PRO 34 1HB PRO 34 6.946 10.360 3.023 230 2HB PRO 34 2HB PRO 34 6.710 9.217 1.709 231 1HG PRO 34 1HG PRO 34 6.812 12.198 1.437 232 2HG PRO 34 2HG PRO 34 7.702 10.968 0.494 233 1HD PRO 34 1HD PRO 34 5.400 12.073 -0.414 234 2HD PRO 34 2HD PRO 34 5.756 10.344 -0.700 235 HA PRO 35 HA PRO 35 4.816 9.004 4.597 236 1HB PRO 35 1HB PRO 35 3.645 8.974 7.055 237 2HB PRO 35 2HB PRO 35 5.181 9.843 6.764 238 1HG PRO 35 1HG PRO 35 2.358 10.948 6.758 239 2HG PRO 35 2HG PRO 35 3.758 11.572 7.677 240 1HD PRO 35 1HD PRO 35 2.998 12.606 5.232 241 2HD PRO 35 2HD PRO 35 4.712 12.510 5.693 242 H TRP 36 H TRP 36 3.313 7.211 5.368 243 HA TRP 36 HA TRP 36 0.612 7.403 4.082 244 1HB TRP 36 1HB TRP 36 2.366 4.978 4.539 245 2HB TRP 36 2HB TRP 36 0.895 5.052 3.567 246 HD1 TRP 36 HD1 TRP 36 1.058 6.306 1.242 247 HE1 TRP 36 HE1 TRP 36 2.967 7.184 -0.242 248 HE3 TRP 36 HE3 TRP 36 4.919 5.568 4.480 249 HZ2 TRP 36 HZ2 TRP 36 5.858 7.451 -0.028 250 HZ3 TRP 36 HZ3 TRP 36 7.253 6.009 3.787 251 HH2 TRP 36 HH2 TRP 36 7.733 7.006 1.569 252 H SER 37 H SER 37 -1.023 5.943 5.064 253 HA SER 37 HA SER 37 -2.440 5.829 6.815 254 1HB SER 37 1HB SER 37 -1.657 4.345 8.716 255 2HB SER 37 2HB SER 37 -1.681 3.666 7.103 256 HG SER 37 HG SER 37 0.289 3.595 8.712 No H/Q in entry = 256 Start of MODEL 16 1 H1 ASP 1 H1 ASP 1 -7.007 -5.724 -5.208 2 H2 ASP 1 H2 ASP 1 -8.081 -6.665 -6.043 3 H3 ASP 1 H3 ASP 1 -8.627 -5.503 -4.990 4 HA ASP 1 HA ASP 1 -8.713 -7.641 -3.869 5 1HB ASP 1 1HB ASP 1 -6.754 -9.031 -3.728 6 2HB ASP 1 2HB ASP 1 -6.833 -8.580 -5.425 7 H ILE 2 H ILE 2 -7.008 -8.033 -1.689 8 HA ILE 2 HA ILE 2 -7.311 -5.573 -0.314 9 HB ILE 2 HB ILE 2 -7.330 -7.896 0.563 10 1HG1 ILE 2 1HG1 ILE 2 -6.323 -7.468 2.768 11 2HG1 ILE 2 2HG1 ILE 2 -5.614 -5.958 2.169 12 1HG2 ILE 2 1HG2 ILE 2 -5.094 -8.624 -0.418 13 2HG2 ILE 2 2HG2 ILE 2 -4.312 -7.615 0.815 14 3HG2 ILE 2 3HG2 ILE 2 -5.288 -8.997 1.304 15 1HD1 ILE 2 1HD1 ILE 2 -8.593 -6.627 2.233 16 2HD1 ILE 2 2HD1 ILE 2 -7.730 -5.779 3.530 17 3HD1 ILE 2 3HD1 ILE 2 -7.854 -5.029 1.939 18 H CYS 3 H CYS 3 -4.498 -6.821 -2.158 19 HA CYS 3 HA CYS 3 -2.606 -4.834 -1.195 20 1HB CYS 3 1HB CYS 3 -2.815 -6.555 -3.646 21 2HB CYS 3 2HB CYS 3 -2.166 -4.963 -3.920 22 H ASP 4 H ASP 4 -5.085 -4.846 -3.767 23 HA ASP 4 HA ASP 4 -4.631 -2.164 -4.641 24 1HB ASP 4 1HB ASP 4 -5.996 -4.040 -5.775 25 2HB ASP 4 2HB ASP 4 -7.340 -3.507 -4.734 26 H ILE 5 H ILE 5 -6.671 -3.542 -2.087 27 HA ILE 5 HA ILE 5 -7.959 -1.125 -1.258 28 HB ILE 5 HB ILE 5 -7.166 -3.567 0.374 29 1HG1 ILE 5 1HG1 ILE 5 -9.689 -2.716 -1.056 30 2HG1 ILE 5 2HG1 ILE 5 -8.721 -4.047 -1.557 31 1HG2 ILE 5 1HG2 ILE 5 -7.519 -1.648 1.824 32 2HG2 ILE 5 2HG2 ILE 5 -9.091 -1.353 1.045 33 3HG2 ILE 5 3HG2 ILE 5 -8.801 -2.821 2.019 34 1HD1 ILE 5 1HD1 ILE 5 -10.306 -3.940 1.006 35 2HD1 ILE 5 2HD1 ILE 5 -10.829 -4.678 -0.509 36 3HD1 ILE 5 3HD1 ILE 5 -9.450 -5.362 0.358 37 H ALA 6 H ALA 6 -4.940 -2.653 0.035 38 HA ALA 6 HA ALA 6 -4.267 -0.508 1.778 39 1HB ALA 6 1HB ALA 6 -1.989 -1.476 1.702 40 2HB ALA 6 2HB ALA 6 -3.169 -2.795 1.764 41 3HB ALA 6 3HB ALA 6 -2.392 -2.382 0.234 42 H ILE 7 H ILE 7 -3.634 -0.915 -1.696 43 HA ILE 7 HA ILE 7 -1.956 1.412 -1.879 44 HB ILE 7 HB ILE 7 -3.346 -0.288 -3.945 45 1HG1 ILE 7 1HG1 ILE 7 -0.389 -0.041 -3.264 46 2HG1 ILE 7 2HG1 ILE 7 -1.409 -1.170 -2.392 47 1HG2 ILE 7 1HG2 ILE 7 -1.340 1.981 -4.323 48 2HG2 ILE 7 2HG2 ILE 7 -1.769 0.808 -5.583 49 3HG2 ILE 7 3HG2 ILE 7 -3.002 1.893 -4.960 50 1HD1 ILE 7 1HD1 ILE 7 -2.069 -2.274 -4.500 51 2HD1 ILE 7 2HD1 ILE 7 -0.927 -1.243 -5.382 52 3HD1 ILE 7 3HD1 ILE 7 -0.333 -2.370 -4.144 53 H ALA 8 H ALA 8 -5.420 0.878 -2.475 54 HA ALA 8 HA ALA 8 -6.027 3.537 -3.340 55 1HB ALA 8 1HB ALA 8 -7.581 1.683 -3.660 56 2HB ALA 8 2HB ALA 8 -7.725 1.443 -1.900 57 3HB ALA 8 3HB ALA 8 -8.353 2.919 -2.651 58 H GLN 9 H GLN 9 -5.849 1.949 -0.200 59 HA GLN 9 HA GLN 9 -6.722 4.253 1.371 60 1HB GLN 9 1HB GLN 9 -5.573 1.495 1.960 61 2HB GLN 9 2HB GLN 9 -5.706 2.680 3.214 62 1HG GLN 9 1HG GLN 9 -8.217 2.940 2.440 63 2HG GLN 9 2HG GLN 9 -7.944 1.434 1.560 64 2HE2 GLN 9 2HE2 GLN 9 -9.145 -0.068 2.855 65 1HE2 GLN 9 1HE2 GLN 9 -8.825 -0.281 4.572 66 H CYS 10 H CYS 10 -3.753 3.003 0.099 67 HA CYS 10 HA CYS 10 -1.610 3.342 0.366 68 1HB CYS 10 1HB CYS 10 -0.753 5.700 0.766 69 2HB CYS 10 2HB CYS 10 -1.525 5.249 -0.750 70 H SER 11 H SER 11 -1.830 1.996 2.142 71 HA SER 11 HA SER 11 -0.972 3.203 4.715 72 1HB SER 11 1HB SER 11 -3.401 2.731 4.897 73 2HB SER 11 2HB SER 11 -3.116 1.059 4.388 74 HG SER 11 HG SER 11 -2.156 2.391 6.707 75 H LEU 12 H LEU 12 0.973 2.309 5.135 76 HA LEU 12 HA LEU 12 1.922 -0.039 3.695 77 1HB LEU 12 1HB LEU 12 3.147 1.586 5.931 78 2HB LEU 12 2HB LEU 12 3.955 0.305 5.021 79 HG LEU 12 HG LEU 12 2.863 2.911 3.882 80 1HD1 LEU 12 1HD1 LEU 12 5.671 1.872 4.421 81 2HD1 LEU 12 2HD1 LEU 12 5.315 3.359 3.524 82 3HD1 LEU 12 3HD1 LEU 12 4.885 3.230 5.247 83 1HD2 LEU 12 1HD2 LEU 12 2.854 1.073 2.160 84 2HD2 LEU 12 2HD2 LEU 12 3.947 2.404 1.829 85 3HD2 LEU 12 3HD2 LEU 12 4.602 0.897 2.448 86 H THR 13 H THR 13 0.772 0.605 7.048 87 HA THR 13 HA THR 13 1.279 -2.021 7.976 88 HB THR 13 HB THR 13 -0.978 -0.068 8.635 89 HG1 THR 13 HG1 THR 13 1.603 -0.565 9.720 90 1HG2 THR 13 1HG2 THR 13 0.116 -2.388 10.270 91 2HG2 THR 13 2HG2 THR 13 -1.017 -1.159 10.866 92 3HG2 THR 13 3HG2 THR 13 -1.513 -2.278 9.592 93 H LEU 14 H LEU 14 -1.561 -0.820 6.115 94 HA LEU 14 HA LEU 14 -2.955 -3.287 6.326 95 1HB LEU 14 1HB LEU 14 -3.644 -0.866 5.548 96 2HB LEU 14 2HB LEU 14 -3.289 -1.475 3.935 97 HG LEU 14 HG LEU 14 -5.264 -2.445 6.065 98 1HD1 LEU 14 1HD1 LEU 14 -5.683 -1.047 3.396 99 2HD1 LEU 14 2HD1 LEU 14 -6.959 -1.652 4.457 100 3HD1 LEU 14 3HD1 LEU 14 -5.889 -0.349 5.016 101 1HD2 LEU 14 1HD2 LEU 14 -4.633 -3.509 3.305 102 2HD2 LEU 14 2HD2 LEU 14 -4.658 -4.380 4.868 103 3HD2 LEU 14 3HD2 LEU 14 -6.177 -3.831 4.126 104 H CYS 15 H CYS 15 -0.225 -2.303 4.317 105 HA CYS 15 HA CYS 15 -0.640 -4.143 2.193 106 1HB CYS 15 1HB CYS 15 1.886 -2.881 3.299 107 2HB CYS 15 2HB CYS 15 1.956 -4.131 2.090 108 H GLN 16 H GLN 16 0.398 -4.750 5.523 109 HA GLN 16 HA GLN 16 1.605 -7.306 4.989 110 1HB GLN 16 1HB GLN 16 0.164 -6.322 7.469 111 2HB GLN 16 2HB GLN 16 1.152 -7.791 7.345 112 1HG GLN 16 1HG GLN 16 3.111 -6.399 6.669 113 2HG GLN 16 2HG GLN 16 2.151 -4.936 6.941 114 2HE2 GLN 16 2HE2 GLN 16 4.120 -4.593 8.408 115 1HE2 GLN 16 1HE2 GLN 16 4.008 -5.237 10.050 116 H ASP 17 H ASP 17 -1.780 -6.351 4.820 117 HA ASP 17 HA ASP 17 -2.828 -9.024 5.308 118 1HB ASP 17 1HB ASP 17 -4.013 -6.602 3.871 119 2HB ASP 17 2HB ASP 17 -4.820 -8.147 4.128 120 H CYS 18 H CYS 18 -1.313 -7.383 2.595 121 HA CYS 18 HA CYS 18 -2.424 -9.241 0.584 122 1HB CYS 18 1HB CYS 18 -2.081 -6.859 0.050 123 2HB CYS 18 2HB CYS 18 -0.348 -7.027 0.373 124 H GLU 19 H GLU 19 -1.061 -10.638 -0.666 125 HA GLU 19 HA GLU 19 0.795 -12.327 0.317 126 1HB GLU 19 1HB GLU 19 -0.177 -12.355 -1.923 127 2HB GLU 19 2HB GLU 19 0.913 -11.063 -2.389 128 1HG GLU 19 1HG GLU 19 1.871 -13.774 -1.407 129 2HG GLU 19 2HG GLU 19 1.526 -13.408 -3.105 130 H ASN 20 H ASN 20 1.706 -9.309 -1.321 131 HA ASN 20 HA ASN 20 4.507 -9.674 -0.420 132 1HB ASN 20 1HB ASN 20 4.897 -8.117 -2.402 133 2HB ASN 20 2HB ASN 20 4.520 -9.790 -2.686 134 2HD2 ASN 20 2HD2 ASN 20 2.830 -10.323 -3.986 135 1HD2 ASN 20 1HD2 ASN 20 1.699 -9.144 -4.669 136 H THR 21 H THR 21 4.311 -8.620 1.616 137 HA THR 21 HA THR 21 3.573 -6.091 2.157 138 HB THR 21 HB THR 21 6.292 -6.726 3.148 139 HG1 THR 21 HG1 THR 21 4.345 -8.383 4.160 140 1HG2 THR 21 1HG2 THR 21 3.624 -6.204 4.475 141 2HG2 THR 21 2HG2 THR 21 5.196 -6.360 5.303 142 3HG2 THR 21 3HG2 THR 21 4.910 -5.021 4.177 143 HA PRO 22 HA PRO 22 7.312 -3.912 0.546 144 1HB PRO 22 1HB PRO 22 9.295 -4.991 -0.994 145 2HB PRO 22 2HB PRO 22 9.239 -5.220 0.781 146 1HG PRO 22 1HG PRO 22 8.227 -7.119 -1.356 147 2HG PRO 22 2HG PRO 22 9.307 -7.496 0.022 148 1HD PRO 22 1HD PRO 22 6.632 -7.943 0.148 149 2HD PRO 22 2HD PRO 22 7.550 -7.344 1.555 150 H ILE 23 H ILE 23 6.210 -6.200 -2.022 151 HA ILE 23 HA ILE 23 6.583 -4.276 -4.121 152 HB ILE 23 HB ILE 23 4.634 -6.510 -3.980 153 1HG1 ILE 23 1HG1 ILE 23 7.496 -6.509 -4.130 154 2HG1 ILE 23 2HG1 ILE 23 6.368 -7.848 -4.143 155 1HG2 ILE 23 1HG2 ILE 23 3.983 -4.863 -5.678 156 2HG2 ILE 23 2HG2 ILE 23 5.597 -4.947 -6.372 157 3HG2 ILE 23 3HG2 ILE 23 4.518 -6.363 -6.422 158 1HD1 ILE 23 1HD1 ILE 23 6.273 -7.742 -6.613 159 2HD1 ILE 23 2HD1 ILE 23 7.377 -6.334 -6.584 160 3HD1 ILE 23 3HD1 ILE 23 7.932 -7.913 -6.020 161 H CYS 24 H CYS 24 3.966 -5.080 -1.832 162 HA CYS 24 HA CYS 24 1.994 -3.245 -2.824 163 1HB CYS 24 1HB CYS 24 1.454 -5.155 -1.439 164 2HB CYS 24 2HB CYS 24 2.374 -4.514 -0.090 165 H GLU 25 H GLU 25 4.449 -3.046 -0.178 166 HA GLU 25 HA GLU 25 3.825 -0.431 0.669 167 1HB GLU 25 1HB GLU 25 6.258 -2.196 0.732 168 2HB GLU 25 2HB GLU 25 6.508 -0.569 1.138 169 1HG GLU 25 1HG GLU 25 4.216 -1.345 2.686 170 2HG GLU 25 2HG GLU 25 5.262 -2.748 2.681 171 H LEU 26 H LEU 26 6.046 -1.618 -1.895 172 HA LEU 26 HA LEU 26 6.983 0.870 -2.653 173 1HB LEU 26 1HB LEU 26 7.840 -1.360 -3.362 174 2HB LEU 26 2HB LEU 26 6.551 -1.453 -4.556 175 HG LEU 26 HG LEU 26 8.918 -0.602 -5.144 176 1HD1 LEU 26 1HD1 LEU 26 7.062 -0.618 -6.751 177 2HD1 LEU 26 2HD1 LEU 26 6.519 0.964 -6.157 178 3HD1 LEU 26 3HD1 LEU 26 8.079 0.813 -6.977 179 1HD2 LEU 26 1HD2 LEU 26 9.075 1.153 -3.384 180 2HD2 LEU 26 2HD2 LEU 26 9.399 1.737 -5.007 181 3HD2 LEU 26 3HD2 LEU 26 7.854 2.105 -4.274 182 H ALA 27 H ALA 27 4.059 -0.868 -3.780 183 HA ALA 27 HA ALA 27 3.230 1.102 -5.684 184 1HB ALA 27 1HB ALA 27 1.618 -0.887 -4.039 185 2HB ALA 27 2HB ALA 27 0.974 0.091 -5.375 186 3HB ALA 27 3HB ALA 27 2.237 -1.121 -5.677 187 H VAL 28 H VAL 28 2.329 0.716 -2.240 188 HA VAL 28 HA VAL 28 0.647 2.953 -2.014 189 HB VAL 28 HB VAL 28 2.488 1.585 -0.105 190 1HG1 VAL 28 1HG1 VAL 28 0.603 3.874 0.467 191 2HG1 VAL 28 2HG1 VAL 28 1.114 2.742 1.739 192 3HG1 VAL 28 3HG1 VAL 28 2.317 3.725 0.891 193 1HG2 VAL 28 1HG2 VAL 28 0.531 0.265 -0.881 194 2HG2 VAL 28 2HG2 VAL 28 0.462 0.624 0.858 195 3HG2 VAL 28 3HG2 VAL 28 -0.527 1.548 -0.271 196 H LYS 29 H LYS 29 4.205 2.743 -1.574 197 HA LYS 29 HA LYS 29 4.579 5.440 -0.949 198 1HB LYS 29 1HB LYS 29 6.409 3.306 -2.098 199 2HB LYS 29 2HB LYS 29 6.971 4.857 -1.483 200 1HG LYS 29 1HG LYS 29 6.288 4.336 0.781 201 2HG LYS 29 2HG LYS 29 5.283 3.038 0.251 202 1HD LYS 29 1HD LYS 29 7.088 1.907 1.145 203 2HD LYS 29 2HD LYS 29 7.325 1.792 -0.580 204 1HE LYS 29 1HE LYS 29 9.437 2.277 0.538 205 2HE LYS 29 2HE LYS 29 8.976 3.588 -0.563 206 1HZ LYS 29 1HZ LYS 29 8.501 3.627 2.361 207 2HZ LYS 29 2HZ LYS 29 9.836 4.249 1.685 208 3HZ LYS 29 3HZ LYS 29 8.372 4.904 1.323 209 H GLY 30 H GLY 30 4.501 3.693 -3.995 210 1HA GLY 30 1HA GLY 30 4.134 4.405 -6.112 211 2HA GLY 30 2HA GLY 30 5.284 5.719 -5.788 212 H SER 31 H SER 31 1.987 4.968 -4.358 213 HA SER 31 HA SER 31 0.842 7.013 -6.055 214 1HB SER 31 1HB SER 31 -1.234 6.396 -4.722 215 2HB SER 31 2HB SER 31 -0.475 5.128 -5.710 216 HG SER 31 HG SER 31 -1.058 4.569 -3.432 217 H CYS 32 H CYS 32 1.289 6.733 -2.500 218 HA CYS 32 HA CYS 32 0.302 9.567 -2.219 219 1HB CYS 32 1HB CYS 32 0.271 7.170 -0.423 220 2HB CYS 32 2HB CYS 32 -0.082 8.776 0.207 221 HA PRO 33 HA PRO 33 4.296 10.665 -0.772 222 1HB PRO 33 1HB PRO 33 3.853 12.840 0.839 223 2HB PRO 33 2HB PRO 33 3.529 12.859 -0.920 224 1HG PRO 33 1HG PRO 33 1.545 12.345 1.320 225 2HG PRO 33 2HG PRO 33 1.385 13.499 -0.035 226 1HD PRO 33 1HD PRO 33 0.269 11.016 -0.121 227 2HD PRO 33 2HD PRO 33 0.983 11.760 -1.575 228 HA PRO 34 HA PRO 34 4.988 8.885 3.318 229 1HB PRO 34 1HB PRO 34 7.408 9.929 4.040 230 2HB PRO 34 2HB PRO 34 7.301 8.863 2.663 231 1HG PRO 34 1HG PRO 34 7.233 11.874 2.544 232 2HG PRO 34 2HG PRO 34 8.295 10.760 1.631 233 1HD PRO 34 1HD PRO 34 6.000 11.740 0.565 234 2HD PRO 34 2HD PRO 34 6.491 10.054 0.244 235 HA PRO 35 HA PRO 35 5.750 8.733 5.553 236 1HB PRO 35 1HB PRO 35 4.477 8.970 8.048 237 2HB PRO 35 2HB PRO 35 6.193 9.292 7.746 238 1HG PRO 35 1HG PRO 35 4.053 11.177 8.388 239 2HG PRO 35 2HG PRO 35 5.789 11.516 8.221 240 1HD PRO 35 1HD PRO 35 3.602 11.977 6.299 241 2HD PRO 35 2HD PRO 35 5.290 12.564 6.227 242 H TRP 36 H TRP 36 4.366 6.844 5.571 243 HA TRP 36 HA TRP 36 1.572 7.344 4.705 244 1HB TRP 36 1HB TRP 36 3.254 4.860 4.852 245 2HB TRP 36 2HB TRP 36 1.595 4.935 4.229 246 HD1 TRP 36 HD1 TRP 36 1.197 6.063 1.897 247 HE1 TRP 36 HE1 TRP 36 2.745 6.908 -0.005 248 HE3 TRP 36 HE3 TRP 36 5.715 5.694 4.268 249 HZ2 TRP 36 HZ2 TRP 36 5.533 7.507 -0.358 250 HZ3 TRP 36 HZ3 TRP 36 7.792 6.340 3.104 251 HH2 TRP 36 HH2 TRP 36 7.728 7.178 0.759 252 H SER 37 H SER 37 1.475 8.309 6.988 253 HA SER 37 HA SER 37 0.913 6.406 9.142 254 1HB SER 37 1HB SER 37 0.130 9.315 9.081 255 2HB SER 37 2HB SER 37 0.686 8.324 10.440 256 HG SER 37 HG SER 37 2.101 9.886 8.780 No H/Q in entry = 256 Start of MODEL 17 1 H1 ASP 1 H1 ASP 1 -8.684 -5.472 -4.586 2 H2 ASP 1 H2 ASP 1 -7.550 -5.959 -5.641 3 H3 ASP 1 H3 ASP 1 -9.014 -6.754 -5.546 4 HA ASP 1 HA ASP 1 -8.603 -7.770 -3.592 5 1HB ASP 1 1HB ASP 1 -6.426 -8.898 -3.754 6 2HB ASP 1 2HB ASP 1 -7.200 -8.804 -5.340 7 H ILE 2 H ILE 2 -7.043 -8.013 -1.630 8 HA ILE 2 HA ILE 2 -7.287 -5.540 -0.395 9 HB ILE 2 HB ILE 2 -7.317 -7.787 0.649 10 1HG1 ILE 2 1HG1 ILE 2 -6.202 -7.304 2.807 11 2HG1 ILE 2 2HG1 ILE 2 -5.485 -5.845 2.118 12 1HG2 ILE 2 1HG2 ILE 2 -5.151 -8.659 -0.340 13 2HG2 ILE 2 2HG2 ILE 2 -4.285 -7.603 0.802 14 3HG2 ILE 2 3HG2 ILE 2 -5.293 -8.912 1.410 15 1HD1 ILE 2 1HD1 ILE 2 -8.473 -6.440 2.336 16 2HD1 ILE 2 2HD1 ILE 2 -7.526 -5.540 3.539 17 3HD1 ILE 2 3HD1 ILE 2 -7.714 -4.877 1.907 18 H CYS 3 H CYS 3 -4.534 -6.778 -2.140 19 HA CYS 3 HA CYS 3 -2.486 -4.942 -1.145 20 1HB CYS 3 1HB CYS 3 -2.839 -6.744 -3.512 21 2HB CYS 3 2HB CYS 3 -2.146 -5.173 -3.922 22 H ASP 4 H ASP 4 -4.894 -4.881 -3.755 23 HA ASP 4 HA ASP 4 -4.286 -2.228 -4.653 24 1HB ASP 4 1HB ASP 4 -5.426 -3.830 -6.071 25 2HB ASP 4 2HB ASP 4 -6.771 -3.940 -4.945 26 H ILE 5 H ILE 5 -6.611 -3.515 -2.311 27 HA ILE 5 HA ILE 5 -7.860 -1.101 -1.563 28 HB ILE 5 HB ILE 5 -7.196 -3.486 0.187 29 1HG1 ILE 5 1HG1 ILE 5 -9.598 -2.734 -1.491 30 2HG1 ILE 5 2HG1 ILE 5 -8.587 -4.079 -1.760 31 1HG2 ILE 5 1HG2 ILE 5 -7.675 -1.583 1.571 32 2HG2 ILE 5 2HG2 ILE 5 -9.192 -1.275 0.677 33 3HG2 ILE 5 3HG2 ILE 5 -8.976 -2.745 1.668 34 1HD1 ILE 5 1HD1 ILE 5 -9.436 -5.072 0.419 35 2HD1 ILE 5 2HD1 ILE 5 -10.597 -3.714 0.465 36 3HD1 ILE 5 3HD1 ILE 5 -10.623 -4.865 -0.879 37 H ALA 6 H ALA 6 -4.905 -2.618 -0.163 38 HA ALA 6 HA ALA 6 -4.331 -0.551 1.716 39 1HB ALA 6 1HB ALA 6 -2.070 -1.557 1.748 40 2HB ALA 6 2HB ALA 6 -3.289 -2.849 1.717 41 3HB ALA 6 3HB ALA 6 -2.409 -2.428 0.245 42 H ILE 7 H ILE 7 -3.491 -0.909 -1.721 43 HA ILE 7 HA ILE 7 -1.762 1.373 -1.793 44 HB ILE 7 HB ILE 7 -3.157 -0.195 -3.960 45 1HG1 ILE 7 1HG1 ILE 7 -0.204 -0.117 -3.208 46 2HG1 ILE 7 2HG1 ILE 7 -1.292 -1.200 -2.360 47 1HG2 ILE 7 1HG2 ILE 7 -2.609 2.088 -4.791 48 2HG2 ILE 7 2HG2 ILE 7 -0.941 1.887 -4.226 49 3HG2 ILE 7 3HG2 ILE 7 -1.575 0.876 -5.535 50 1HD1 ILE 7 1HD1 ILE 7 -1.973 -2.272 -4.463 51 2HD1 ILE 7 2HD1 ILE 7 -0.824 -1.263 -5.356 52 3HD1 ILE 7 3HD1 ILE 7 -0.241 -2.410 -4.126 53 H ALA 8 H ALA 8 -5.232 0.947 -2.539 54 HA ALA 8 HA ALA 8 -5.804 3.608 -3.375 55 1HB ALA 8 1HB ALA 8 -7.378 1.714 -3.586 56 2HB ALA 8 2HB ALA 8 -7.498 1.576 -1.822 57 3HB ALA 8 3HB ALA 8 -8.102 3.031 -2.621 58 H GLN 9 H GLN 9 -5.695 2.002 -0.244 59 HA GLN 9 HA GLN 9 -6.583 4.282 1.341 60 1HB GLN 9 1HB GLN 9 -5.439 1.525 1.867 61 2HB GLN 9 2HB GLN 9 -5.714 2.633 3.198 62 1HG GLN 9 1HG GLN 9 -8.081 2.867 2.630 63 2HG GLN 9 2HG GLN 9 -7.866 1.946 1.138 64 2HE2 GLN 9 2HE2 GLN 9 -6.035 0.507 3.645 65 1HE2 GLN 9 1HE2 GLN 9 -7.184 -0.768 3.992 66 H CYS 10 H CYS 10 -3.631 3.080 0.094 67 HA CYS 10 HA CYS 10 -1.495 3.403 0.284 68 1HB CYS 10 1HB CYS 10 -0.630 5.726 0.610 69 2HB CYS 10 2HB CYS 10 -1.600 5.345 -0.774 70 H SER 11 H SER 11 -1.930 2.033 2.073 71 HA SER 11 HA SER 11 -1.019 3.093 4.727 72 1HB SER 11 1HB SER 11 -3.389 2.454 4.917 73 2HB SER 11 2HB SER 11 -3.039 0.888 4.162 74 HG SER 11 HG SER 11 -2.257 1.851 6.706 75 H LEU 12 H LEU 12 1.019 2.367 4.967 76 HA LEU 12 HA LEU 12 2.101 0.016 3.607 77 1HB LEU 12 1HB LEU 12 3.170 1.656 5.923 78 2HB LEU 12 2HB LEU 12 4.049 0.409 5.017 79 HG LEU 12 HG LEU 12 2.963 3.002 3.803 80 1HD1 LEU 12 1HD1 LEU 12 5.753 2.096 4.561 81 2HD1 LEU 12 2HD1 LEU 12 5.362 3.572 3.651 82 3HD1 LEU 12 3HD1 LEU 12 4.803 3.393 5.337 83 1HD2 LEU 12 1HD2 LEU 12 3.155 1.115 2.147 84 2HD2 LEU 12 2HD2 LEU 12 4.325 2.399 1.858 85 3HD2 LEU 12 3HD2 LEU 12 4.847 0.899 2.636 86 H THR 13 H THR 13 0.544 0.742 6.690 87 HA THR 13 HA THR 13 1.201 -1.798 7.862 88 HB THR 13 HB THR 13 -1.215 -0.019 8.434 89 HG1 THR 13 HG1 THR 13 1.512 0.217 9.227 90 1HG2 THR 13 1HG2 THR 13 0.419 -1.847 10.255 91 2HG2 THR 13 2HG2 THR 13 -0.951 -0.825 10.751 92 3HG2 THR 13 3HG2 THR 13 -1.211 -2.177 9.639 93 H LEU 14 H LEU 14 -1.837 -0.731 6.102 94 HA LEU 14 HA LEU 14 -2.901 -3.291 6.404 95 1HB LEU 14 1HB LEU 14 -3.916 -0.942 5.731 96 2HB LEU 14 2HB LEU 14 -3.555 -1.459 4.087 97 HG LEU 14 HG LEU 14 -5.833 -1.700 5.325 98 1HD1 LEU 14 1HD1 LEU 14 -5.463 -2.101 2.907 99 2HD1 LEU 14 2HD1 LEU 14 -4.847 -3.725 3.272 100 3HD1 LEU 14 3HD1 LEU 14 -6.541 -3.308 3.602 101 1HD2 LEU 14 1HD2 LEU 14 -5.022 -3.335 6.964 102 2HD2 LEU 14 2HD2 LEU 14 -6.319 -3.983 5.931 103 3HD2 LEU 14 3HD2 LEU 14 -4.644 -4.472 5.631 104 H CYS 15 H CYS 15 -0.379 -2.184 4.236 105 HA CYS 15 HA CYS 15 -0.772 -4.050 2.122 106 1HB CYS 15 1HB CYS 15 1.714 -2.783 3.299 107 2HB CYS 15 2HB CYS 15 1.844 -4.064 2.121 108 H GLN 16 H GLN 16 0.312 -4.567 5.462 109 HA GLN 16 HA GLN 16 1.545 -7.091 5.006 110 1HB GLN 16 1HB GLN 16 0.147 -5.993 7.479 111 2HB GLN 16 2HB GLN 16 1.148 -7.457 7.431 112 1HG GLN 16 1HG GLN 16 3.072 -6.110 6.608 113 2HG GLN 16 2HG GLN 16 2.099 -4.639 6.734 114 2HE2 GLN 16 2HE2 GLN 16 3.274 -7.453 8.725 115 1HE2 GLN 16 1HE2 GLN 16 3.455 -6.489 10.165 116 H ASP 17 H ASP 17 -1.880 -6.334 4.780 117 HA ASP 17 HA ASP 17 -2.686 -9.119 5.371 118 1HB ASP 17 1HB ASP 17 -4.172 -6.740 4.155 119 2HB ASP 17 2HB ASP 17 -4.769 -8.387 4.065 120 H CYS 18 H CYS 18 -1.444 -7.299 2.619 121 HA CYS 18 HA CYS 18 -2.415 -9.266 0.653 122 1HB CYS 18 1HB CYS 18 -2.126 -6.903 0.027 123 2HB CYS 18 2HB CYS 18 -0.397 -7.005 0.387 124 H GLU 19 H GLU 19 -1.093 -10.768 -0.406 125 HA GLU 19 HA GLU 19 0.828 -12.263 0.763 126 1HB GLU 19 1HB GLU 19 -0.154 -12.812 -1.373 127 2HB GLU 19 2HB GLU 19 0.666 -11.440 -2.099 128 1HG GLU 19 1HG GLU 19 2.871 -12.469 -1.719 129 2HG GLU 19 2HG GLU 19 2.134 -13.827 -0.871 130 H ASN 20 H ASN 20 1.615 -9.572 -1.429 131 HA ASN 20 HA ASN 20 4.449 -9.852 -0.671 132 1HB ASN 20 1HB ASN 20 4.806 -8.725 -2.816 133 2HB ASN 20 2HB ASN 20 4.054 -10.318 -2.876 134 2HD2 ASN 20 2HD2 ASN 20 2.683 -6.923 -2.663 135 1HD2 ASN 20 1HD2 ASN 20 1.660 -7.189 -4.075 136 H THR 21 H THR 21 4.141 -8.724 1.293 137 HA THR 21 HA THR 21 3.269 -6.159 1.690 138 HB THR 21 HB THR 21 5.698 -7.206 3.054 139 HG1 THR 21 HG1 THR 21 4.168 -8.831 2.986 140 1HG2 THR 21 1HG2 THR 21 4.953 -4.909 3.695 141 2HG2 THR 21 2HG2 THR 21 3.345 -5.568 4.075 142 3HG2 THR 21 3HG2 THR 21 4.767 -6.085 5.002 143 HA PRO 22 HA PRO 22 7.321 -4.063 0.556 144 1HB PRO 22 1HB PRO 22 9.269 -5.269 -1.022 145 2HB PRO 22 2HB PRO 22 9.221 -5.436 0.755 146 1HG PRO 22 1HG PRO 22 8.116 -7.360 -1.301 147 2HG PRO 22 2HG PRO 22 9.175 -7.731 0.078 148 1HD PRO 22 1HD PRO 22 6.511 -8.081 0.240 149 2HD PRO 22 2HD PRO 22 7.399 -7.402 1.629 150 H ILE 23 H ILE 23 6.236 -6.254 -2.136 151 HA ILE 23 HA ILE 23 6.517 -4.293 -4.187 152 HB ILE 23 HB ILE 23 4.773 -6.667 -3.777 153 1HG1 ILE 23 1HG1 ILE 23 6.058 -7.506 -5.690 154 2HG1 ILE 23 2HG1 ILE 23 7.015 -6.027 -5.733 155 1HG2 ILE 23 1HG2 ILE 23 4.774 -4.807 -6.182 156 2HG2 ILE 23 2HG2 ILE 23 4.058 -6.435 -6.159 157 3HG2 ILE 23 3HG2 ILE 23 3.398 -5.181 -5.115 158 1HD1 ILE 23 1HD1 ILE 23 6.932 -7.933 -3.364 159 2HD1 ILE 23 2HD1 ILE 23 8.106 -8.048 -4.685 160 3HD1 ILE 23 3HD1 ILE 23 8.095 -6.610 -3.652 161 H CYS 24 H CYS 24 3.947 -5.066 -1.848 162 HA CYS 24 HA CYS 24 2.043 -3.158 -2.824 163 1HB CYS 24 1HB CYS 24 1.413 -5.078 -1.525 164 2HB CYS 24 2HB CYS 24 2.299 -4.517 -0.119 165 H GLU 25 H GLU 25 4.549 -3.025 -0.279 166 HA GLU 25 HA GLU 25 4.077 -0.484 0.799 167 1HB GLU 25 1HB GLU 25 6.525 -2.176 0.278 168 2HB GLU 25 2HB GLU 25 6.717 -0.653 1.007 169 1HG GLU 25 1HG GLU 25 5.326 -1.312 2.935 170 2HG GLU 25 2HG GLU 25 5.072 -2.896 2.233 171 H LEU 26 H LEU 26 6.119 -1.550 -1.946 172 HA LEU 26 HA LEU 26 7.068 0.996 -2.675 173 1HB LEU 26 1HB LEU 26 7.766 -1.379 -3.434 174 2HB LEU 26 2HB LEU 26 6.568 -1.207 -4.715 175 HG LEU 26 HG LEU 26 8.729 0.899 -4.181 176 1HD1 LEU 26 1HD1 LEU 26 9.828 -1.278 -4.472 177 2HD1 LEU 26 2HD1 LEU 26 8.947 -1.509 -6.006 178 3HD1 LEU 26 3HD1 LEU 26 10.125 -0.182 -5.824 179 1HD2 LEU 26 1HD2 LEU 26 6.991 0.187 -6.593 180 2HD2 LEU 26 2HD2 LEU 26 7.048 1.730 -5.705 181 3HD2 LEU 26 3HD2 LEU 26 8.419 1.230 -6.698 182 H ALA 27 H ALA 27 4.192 -0.824 -3.848 183 HA ALA 27 HA ALA 27 3.252 1.190 -5.609 184 1HB ALA 27 1HB ALA 27 1.733 -0.950 -4.090 185 2HB ALA 27 2HB ALA 27 1.095 0.023 -5.439 186 3HB ALA 27 3HB ALA 27 2.452 -1.090 -5.708 187 H VAL 28 H VAL 28 2.590 0.740 -2.094 188 HA VAL 28 HA VAL 28 0.695 2.840 -1.814 189 HB VAL 28 HB VAL 28 2.613 1.527 0.047 190 1HG1 VAL 28 1HG1 VAL 28 0.751 3.842 0.668 191 2HG1 VAL 28 2HG1 VAL 28 1.320 2.726 1.917 192 3HG1 VAL 28 3HG1 VAL 28 2.476 3.719 1.031 193 1HG2 VAL 28 1HG2 VAL 28 0.597 0.256 -0.673 194 2HG2 VAL 28 2HG2 VAL 28 0.589 0.626 1.065 195 3HG2 VAL 28 3HG2 VAL 28 -0.418 1.551 -0.036 196 H LYS 29 H LYS 29 4.285 2.840 -1.456 197 HA LYS 29 HA LYS 29 4.560 5.609 -0.955 198 1HB LYS 29 1HB LYS 29 6.387 3.467 -2.149 199 2HB LYS 29 2HB LYS 29 6.915 5.095 -1.762 200 1HG LYS 29 1HG LYS 29 6.313 4.774 0.615 201 2HG LYS 29 2HG LYS 29 5.614 3.216 0.248 202 1HD LYS 29 1HD LYS 29 7.726 2.876 1.312 203 2HD LYS 29 2HD LYS 29 7.775 2.275 -0.341 204 1HE LYS 29 1HE LYS 29 9.855 3.448 0.368 205 2HE LYS 29 2HE LYS 29 9.123 4.152 -1.073 206 1HZ LYS 29 1HZ LYS 29 8.832 5.290 1.660 207 2HZ LYS 29 2HZ LYS 29 9.922 5.748 0.536 208 3HZ LYS 29 3HZ LYS 29 8.362 5.978 0.199 209 H GLY 30 H GLY 30 4.385 3.731 -3.957 210 1HA GLY 30 1HA GLY 30 3.859 4.311 -6.090 211 2HA GLY 30 2HA GLY 30 4.745 5.817 -5.838 212 H SER 31 H SER 31 1.989 4.879 -3.844 213 HA SER 31 HA SER 31 0.017 6.269 -5.452 214 1HB SER 31 1HB SER 31 -0.447 4.167 -4.203 215 2HB SER 31 2HB SER 31 -0.221 5.032 -2.676 216 HG SER 31 HG SER 31 -2.369 4.929 -3.091 217 H CYS 32 H CYS 32 1.419 6.773 -2.150 218 HA CYS 32 HA CYS 32 0.384 9.601 -2.255 219 1HB CYS 32 1HB CYS 32 0.199 7.532 -0.078 220 2HB CYS 32 2HB CYS 32 -0.194 9.204 0.208 221 HA PRO 33 HA PRO 33 4.504 10.411 -0.833 222 1HB PRO 33 1HB PRO 33 4.263 12.860 0.382 223 2HB PRO 33 2HB PRO 33 4.025 12.642 -1.375 224 1HG PRO 33 1HG PRO 33 1.891 12.729 0.782 225 2HG PRO 33 2HG PRO 33 1.947 13.665 -0.742 226 1HD PRO 33 1HD PRO 33 0.529 11.345 -0.501 227 2HD PRO 33 2HD PRO 33 1.364 11.764 -2.024 228 HA PRO 34 HA PRO 34 4.603 9.252 3.507 229 1HB PRO 34 1HB PRO 34 6.982 10.366 4.420 230 2HB PRO 34 2HB PRO 34 6.985 9.015 3.294 231 1HG PRO 34 1HG PRO 34 7.206 11.937 2.576 232 2HG PRO 34 2HG PRO 34 8.257 10.600 2.064 233 1HD PRO 34 1HD PRO 34 6.234 11.484 0.490 234 2HD PRO 34 2HD PRO 34 6.557 9.731 0.617 235 HA PRO 35 HA PRO 35 4.617 9.303 5.775 236 1HB PRO 35 1HB PRO 35 2.976 9.682 7.859 237 2HB PRO 35 2HB PRO 35 4.574 10.484 7.800 238 1HG PRO 35 1HG PRO 35 1.908 11.706 7.050 239 2HG PRO 35 2HG PRO 35 3.157 12.379 8.144 240 1HD PRO 35 1HD PRO 35 3.026 13.086 5.502 241 2HD PRO 35 2HD PRO 35 4.589 12.907 6.343 242 H TRP 36 H TRP 36 2.816 7.678 6.393 243 HA TRP 36 HA TRP 36 0.526 7.908 4.479 244 1HB TRP 36 1HB TRP 36 2.140 5.539 5.469 245 2HB TRP 36 2HB TRP 36 0.631 5.400 4.572 246 HD1 TRP 36 HD1 TRP 36 0.628 6.425 2.108 247 HE1 TRP 36 HE1 TRP 36 2.477 6.921 0.366 248 HE3 TRP 36 HE3 TRP 36 4.706 6.039 5.146 249 HZ2 TRP 36 HZ2 TRP 36 5.304 7.320 0.374 250 HZ3 TRP 36 HZ3 TRP 36 6.970 6.452 4.246 251 HH2 TRP 36 HH2 TRP 36 7.266 7.118 1.858 252 H SER 37 H SER 37 -1.345 8.239 5.426 253 HA SER 37 HA SER 37 -3.062 8.304 6.894 254 1HB SER 37 1HB SER 37 -1.736 6.103 8.506 255 2HB SER 37 2HB SER 37 -3.423 6.598 8.524 256 HG SER 37 HG SER 37 -2.229 5.793 6.078 No H/Q in entry = 256 Start of MODEL 18 1 H1 ASP 1 H1 ASP 1 -6.748 -6.294 -5.097 2 H2 ASP 1 H2 ASP 1 -7.698 -7.369 -5.910 3 H3 ASP 1 H3 ASP 1 -8.403 -6.064 -5.201 4 HA ASP 1 HA ASP 1 -8.818 -7.812 -3.746 5 1HB ASP 1 1HB ASP 1 -7.145 -9.358 -3.011 6 2HB ASP 1 2HB ASP 1 -6.879 -9.218 -4.755 7 H ILE 2 H ILE 2 -7.315 -8.037 -1.364 8 HA ILE 2 HA ILE 2 -7.543 -5.481 -0.146 9 HB ILE 2 HB ILE 2 -7.627 -7.666 1.003 10 1HG1 ILE 2 1HG1 ILE 2 -6.272 -7.184 3.005 11 2HG1 ILE 2 2HG1 ILE 2 -5.460 -5.855 2.170 12 1HG2 ILE 2 1HG2 ILE 2 -5.709 -8.805 -0.159 13 2HG2 ILE 2 2HG2 ILE 2 -4.585 -7.769 0.746 14 3HG2 ILE 2 3HG2 ILE 2 -5.607 -8.923 1.595 15 1HD1 ILE 2 1HD1 ILE 2 -8.465 -6.065 2.645 16 2HD1 ILE 2 2HD1 ILE 2 -7.331 -5.300 3.768 17 3HD1 ILE 2 3HD1 ILE 2 -7.539 -4.611 2.150 18 H CYS 3 H CYS 3 -4.743 -7.012 -1.782 19 HA CYS 3 HA CYS 3 -2.792 -5.092 -0.978 20 1HB CYS 3 1HB CYS 3 -2.779 -7.217 -2.777 21 2HB CYS 3 2HB CYS 3 -2.782 -5.836 -3.871 22 H ASP 4 H ASP 4 -5.187 -5.070 -3.566 23 HA ASP 4 HA ASP 4 -4.408 -2.501 -4.594 24 1HB ASP 4 1HB ASP 4 -5.738 -4.140 -5.934 25 2HB ASP 4 2HB ASP 4 -7.135 -3.847 -4.870 26 H ILE 5 H ILE 5 -6.854 -3.565 -2.275 27 HA ILE 5 HA ILE 5 -8.019 -1.106 -1.592 28 HB ILE 5 HB ILE 5 -7.392 -3.363 0.301 29 1HG1 ILE 5 1HG1 ILE 5 -9.822 -2.745 -1.425 30 2HG1 ILE 5 2HG1 ILE 5 -8.748 -4.083 -1.636 31 1HG2 ILE 5 1HG2 ILE 5 -7.927 -1.280 1.483 32 2HG2 ILE 5 2HG2 ILE 5 -9.449 -1.159 0.557 33 3HG2 ILE 5 3HG2 ILE 5 -9.172 -2.503 1.696 34 1HD1 ILE 5 1HD1 ILE 5 -9.458 -4.798 0.776 35 2HD1 ILE 5 2HD1 ILE 5 -10.804 -3.671 0.521 36 3HD1 ILE 5 3HD1 ILE 5 -10.559 -5.043 -0.582 37 H ALA 6 H ALA 6 -5.084 -2.659 -0.145 38 HA ALA 6 HA ALA 6 -4.445 -0.597 1.669 39 1HB ALA 6 1HB ALA 6 -2.244 -1.625 1.785 40 2HB ALA 6 2HB ALA 6 -3.422 -2.944 1.591 41 3HB ALA 6 3HB ALA 6 -2.461 -2.404 0.209 42 H ILE 7 H ILE 7 -3.531 -0.993 -1.756 43 HA ILE 7 HA ILE 7 -1.869 1.356 -1.775 44 HB ILE 7 HB ILE 7 -3.095 -0.305 -3.974 45 1HG1 ILE 7 1HG1 ILE 7 -0.177 -0.083 -3.117 46 2HG1 ILE 7 2HG1 ILE 7 -1.260 -1.193 -2.285 47 1HG2 ILE 7 1HG2 ILE 7 -1.000 1.904 -4.173 48 2HG2 ILE 7 2HG2 ILE 7 -1.471 0.820 -5.491 49 3HG2 ILE 7 3HG2 ILE 7 -2.637 1.974 -4.857 50 1HD1 ILE 7 1HD1 ILE 7 -1.827 -2.315 -4.368 51 2HD1 ILE 7 2HD1 ILE 7 -0.681 -1.284 -5.257 52 3HD1 ILE 7 3HD1 ILE 7 -0.092 -2.393 -4.000 53 H ALA 8 H ALA 8 -5.314 0.833 -2.423 54 HA ALA 8 HA ALA 8 -5.913 3.474 -3.380 55 1HB ALA 8 1HB ALA 8 -7.415 1.367 -3.393 56 2HB ALA 8 2HB ALA 8 -7.783 1.732 -1.708 57 3HB ALA 8 3HB ALA 8 -8.186 2.907 -2.966 58 H GLN 9 H GLN 9 -5.809 1.934 -0.234 59 HA GLN 9 HA GLN 9 -6.665 4.215 1.325 60 1HB GLN 9 1HB GLN 9 -5.400 1.496 1.919 61 2HB GLN 9 2HB GLN 9 -5.871 2.543 3.220 62 1HG GLN 9 1HG GLN 9 -7.808 1.465 1.106 63 2HG GLN 9 2HG GLN 9 -7.496 0.718 2.675 64 2HE2 GLN 9 2HE2 GLN 9 -9.300 1.028 3.924 65 1HE2 GLN 9 1HE2 GLN 9 -10.198 2.531 3.978 66 H CYS 10 H CYS 10 -3.724 2.958 0.120 67 HA CYS 10 HA CYS 10 -1.581 3.231 0.391 68 1HB CYS 10 1HB CYS 10 -0.733 5.606 0.609 69 2HB CYS 10 2HB CYS 10 -1.553 5.061 -0.844 70 H SER 11 H SER 11 -2.036 1.998 2.244 71 HA SER 11 HA SER 11 -1.028 3.203 4.766 72 1HB SER 11 1HB SER 11 -3.300 2.753 5.169 73 2HB SER 11 2HB SER 11 -3.267 1.220 4.298 74 HG SER 11 HG SER 11 -3.143 1.153 6.707 75 H LEU 12 H LEU 12 0.970 2.500 4.999 76 HA LEU 12 HA LEU 12 2.035 0.154 3.702 77 1HB LEU 12 1HB LEU 12 3.084 1.896 5.946 78 2HB LEU 12 2HB LEU 12 4.001 0.598 5.176 79 HG LEU 12 HG LEU 12 2.841 3.017 3.692 80 1HD1 LEU 12 1HD1 LEU 12 5.655 2.409 4.627 81 2HD1 LEU 12 2HD1 LEU 12 5.193 3.752 3.562 82 3HD1 LEU 12 3HD1 LEU 12 4.579 3.696 5.230 83 1HD2 LEU 12 1HD2 LEU 12 4.871 0.922 2.792 84 2HD2 LEU 12 2HD2 LEU 12 3.197 1.046 2.199 85 3HD2 LEU 12 3HD2 LEU 12 4.342 2.333 1.868 86 H THR 13 H THR 13 0.387 0.678 6.791 87 HA THR 13 HA THR 13 1.264 -1.910 7.779 88 HB THR 13 HB THR 13 -1.144 -0.369 8.781 89 HG1 THR 13 HG1 THR 13 1.016 0.106 10.224 90 1HG2 THR 13 1HG2 THR 13 0.896 -2.287 10.034 91 2HG2 THR 13 2HG2 THR 13 -0.427 -1.522 10.910 92 3HG2 THR 13 3HG2 THR 13 -0.786 -2.690 9.641 93 H LEU 14 H LEU 14 -1.716 -0.698 5.987 94 HA LEU 14 HA LEU 14 -3.041 -3.155 6.334 95 1HB LEU 14 1HB LEU 14 -4.078 -0.962 5.905 96 2HB LEU 14 2HB LEU 14 -3.305 -0.959 4.303 97 HG LEU 14 HG LEU 14 -4.439 -2.736 3.533 98 1HD1 LEU 14 1HD1 LEU 14 -5.573 -2.891 6.335 99 2HD1 LEU 14 2HD1 LEU 14 -6.415 -3.645 4.954 100 3HD1 LEU 14 3HD1 LEU 14 -4.775 -4.182 5.384 101 1HD2 LEU 14 1HD2 LEU 14 -5.523 -0.421 3.550 102 2HD2 LEU 14 2HD2 LEU 14 -6.705 -1.754 3.443 103 3HD2 LEU 14 3HD2 LEU 14 -6.402 -0.935 4.990 104 H CYS 15 H CYS 15 -0.437 -2.074 4.195 105 HA CYS 15 HA CYS 15 -0.688 -4.073 2.172 106 1HB CYS 15 1HB CYS 15 1.715 -2.664 3.361 107 2HB CYS 15 2HB CYS 15 1.908 -3.967 2.204 108 H GLN 16 H GLN 16 0.129 -4.404 5.577 109 HA GLN 16 HA GLN 16 1.527 -6.909 5.334 110 1HB GLN 16 1HB GLN 16 0.188 -5.714 7.763 111 2HB GLN 16 2HB GLN 16 1.368 -7.033 7.703 112 1HG GLN 16 1HG GLN 16 2.983 -5.501 6.548 113 2HG GLN 16 2HG GLN 16 1.881 -4.146 6.812 114 2HE2 GLN 16 2HE2 GLN 16 4.629 -4.617 7.748 115 1HE2 GLN 16 1HE2 GLN 16 4.603 -4.568 9.508 116 H ASP 17 H ASP 17 -1.811 -6.184 4.867 117 HA ASP 17 HA ASP 17 -2.699 -8.923 5.460 118 1HB ASP 17 1HB ASP 17 -3.934 -6.589 3.924 119 2HB ASP 17 2HB ASP 17 -4.545 -8.220 3.827 120 H CYS 18 H CYS 18 -1.239 -7.139 2.780 121 HA CYS 18 HA CYS 18 -2.153 -8.944 0.717 122 1HB CYS 18 1HB CYS 18 -1.976 -6.700 0.175 123 2HB CYS 18 2HB CYS 18 -0.286 -6.561 0.691 124 H GLU 19 H GLU 19 -1.113 -10.355 -0.524 125 HA GLU 19 HA GLU 19 0.779 -12.155 0.356 126 1HB GLU 19 1HB GLU 19 -0.599 -12.543 -1.520 127 2HB GLU 19 2HB GLU 19 0.110 -11.196 -2.390 128 1HG GLU 19 1HG GLU 19 1.961 -13.422 -1.564 129 2HG GLU 19 2HG GLU 19 0.776 -13.781 -2.818 130 H ASN 20 H ASN 20 1.519 -9.491 -1.959 131 HA ASN 20 HA ASN 20 4.370 -9.916 -1.464 132 1HB ASN 20 1HB ASN 20 4.678 -8.695 -3.468 133 2HB ASN 20 2HB ASN 20 3.601 -10.036 -3.739 134 2HD2 ASN 20 2HD2 ASN 20 3.500 -8.582 -5.781 135 1HD2 ASN 20 1HD2 ASN 20 2.082 -7.540 -5.782 136 H THR 21 H THR 21 3.823 -9.005 0.759 137 HA THR 21 HA THR 21 3.163 -6.540 1.394 138 HB THR 21 HB THR 21 5.631 -7.284 2.834 139 HG1 THR 21 HG1 THR 21 3.459 -9.098 2.896 140 1HG2 THR 21 1HG2 THR 21 3.925 -5.724 3.676 141 2HG2 THR 21 2HG2 THR 21 2.751 -7.059 3.621 142 3HG2 THR 21 3HG2 THR 21 4.136 -7.129 4.740 143 HA PRO 22 HA PRO 22 7.194 -4.223 0.792 144 1HB PRO 22 1HB PRO 22 9.339 -5.236 -0.629 145 2HB PRO 22 2HB PRO 22 9.082 -5.551 1.099 146 1HG PRO 22 1HG PRO 22 8.365 -7.347 -1.223 147 2HG PRO 22 2HG PRO 22 9.177 -7.793 0.301 148 1HD PRO 22 1HD PRO 22 6.528 -8.197 -0.053 149 2HD PRO 22 2HD PRO 22 7.230 -7.715 1.515 150 H ILE 23 H ILE 23 6.123 -6.192 -2.012 151 HA ILE 23 HA ILE 23 6.688 -4.212 -4.035 152 HB ILE 23 HB ILE 23 4.776 -6.483 -3.804 153 1HG1 ILE 23 1HG1 ILE 23 6.158 -7.413 -5.553 154 2HG1 ILE 23 2HG1 ILE 23 7.191 -5.982 -5.550 155 1HG2 ILE 23 1HG2 ILE 23 5.172 -4.638 -6.173 156 2HG2 ILE 23 2HG2 ILE 23 4.334 -6.178 -6.224 157 3HG2 ILE 23 3HG2 ILE 23 3.660 -4.868 -5.263 158 1HD1 ILE 23 1HD1 ILE 23 6.905 -7.886 -3.186 159 2HD1 ILE 23 2HD1 ILE 23 8.143 -8.047 -4.446 160 3HD1 ILE 23 3HD1 ILE 23 8.139 -6.613 -3.426 161 H CYS 24 H CYS 24 3.975 -5.040 -1.889 162 HA CYS 24 HA CYS 24 2.112 -3.078 -2.792 163 1HB CYS 24 1HB CYS 24 1.482 -5.034 -1.519 164 2HB CYS 24 2HB CYS 24 2.343 -4.480 -0.098 165 H GLU 25 H GLU 25 4.491 -3.094 -0.108 166 HA GLU 25 HA GLU 25 4.085 -0.518 0.876 167 1HB GLU 25 1HB GLU 25 6.468 -2.335 0.620 168 2HB GLU 25 2HB GLU 25 6.698 -0.807 1.330 169 1HG GLU 25 1HG GLU 25 4.830 -1.341 3.004 170 2HG GLU 25 2HG GLU 25 4.788 -2.968 2.335 171 H LEU 26 H LEU 26 6.270 -1.573 -1.785 172 HA LEU 26 HA LEU 26 7.251 0.956 -2.468 173 1HB LEU 26 1HB LEU 26 7.985 -1.302 -3.296 174 2HB LEU 26 2HB LEU 26 6.702 -1.191 -4.482 175 HG LEU 26 HG LEU 26 9.014 -0.481 -5.114 176 1HD1 LEU 26 1HD1 LEU 26 7.016 0.106 -6.505 177 2HD1 LEU 26 2HD1 LEU 26 6.950 1.678 -5.685 178 3HD1 LEU 26 3HD1 LEU 26 8.360 1.246 -6.660 179 1HD2 LEU 26 1HD2 LEU 26 9.554 0.896 -3.122 180 2HD2 LEU 26 2HD2 LEU 26 9.922 1.645 -4.686 181 3HD2 LEU 26 3HD2 LEU 26 8.497 2.173 -3.783 182 H ALA 27 H ALA 27 4.406 -0.778 -3.819 183 HA ALA 27 HA ALA 27 3.523 1.225 -5.584 184 1HB ALA 27 1HB ALA 27 1.918 -0.866 -4.067 185 2HB ALA 27 2HB ALA 27 1.336 0.083 -5.447 186 3HB ALA 27 3HB ALA 27 2.682 -1.055 -5.657 187 H VAL 28 H VAL 28 2.674 0.748 -2.121 188 HA VAL 28 HA VAL 28 0.826 2.871 -1.863 189 HB VAL 28 HB VAL 28 2.682 1.539 0.047 190 1HG1 VAL 28 1HG1 VAL 28 0.770 3.828 0.601 191 2HG1 VAL 28 2HG1 VAL 28 1.314 2.718 1.869 192 3HG1 VAL 28 3HG1 VAL 28 2.492 3.722 1.018 193 1HG2 VAL 28 1HG2 VAL 28 0.713 0.245 -0.728 194 2HG2 VAL 28 2HG2 VAL 28 0.575 0.669 0.995 195 3HG2 VAL 28 3HG2 VAL 28 -0.343 1.561 -0.213 196 H LYS 29 H LYS 29 4.431 2.865 -1.508 197 HA LYS 29 HA LYS 29 4.612 5.630 -0.890 198 1HB LYS 29 1HB LYS 29 6.576 3.557 -1.952 199 2HB LYS 29 2HB LYS 29 6.999 5.216 -1.577 200 1HG LYS 29 1HG LYS 29 6.164 4.907 0.770 201 2HG LYS 29 2HG LYS 29 5.703 3.268 0.369 202 1HD LYS 29 1HD LYS 29 7.798 3.311 1.635 203 2HD LYS 29 2HD LYS 29 7.962 2.551 0.057 204 1HE LYS 29 1HE LYS 29 9.877 4.062 0.690 205 2HE LYS 29 2HE LYS 29 9.141 4.420 -0.868 206 1HZ LYS 29 1HZ LYS 29 8.229 5.927 1.483 207 2HZ LYS 29 2HZ LYS 29 9.673 6.280 0.853 208 3HZ LYS 29 3HZ LYS 29 8.355 6.389 -0.098 209 H GLY 30 H GLY 30 4.632 3.862 -3.987 210 1HA GLY 30 1HA GLY 30 4.273 4.609 -6.113 211 2HA GLY 30 2HA GLY 30 5.082 6.125 -5.685 212 H SER 31 H SER 31 2.218 4.805 -4.112 213 HA SER 31 HA SER 31 0.303 6.138 -5.772 214 1HB SER 31 1HB SER 31 -0.038 3.943 -4.748 215 2HB SER 31 2HB SER 31 0.058 4.659 -3.127 216 HG SER 31 HG SER 31 -2.063 4.342 -3.657 217 H CYS 32 H CYS 32 1.684 6.819 -2.519 218 HA CYS 32 HA CYS 32 0.174 9.403 -2.459 219 1HB CYS 32 1HB CYS 32 0.184 7.151 -0.482 220 2HB CYS 32 2HB CYS 32 -0.269 8.753 0.050 221 HA PRO 33 HA PRO 33 4.036 10.802 -0.881 222 1HB PRO 33 1HB PRO 33 3.344 13.016 0.567 223 2HB PRO 33 2HB PRO 33 3.115 12.956 -1.200 224 1HG PRO 33 1HG PRO 33 1.052 12.377 0.941 225 2HG PRO 33 2HG PRO 33 0.896 13.491 -0.451 226 1HD PRO 33 1HD PRO 33 -0.049 10.943 -0.546 227 2HD PRO 33 2HD PRO 33 0.711 11.684 -1.978 228 HA PRO 34 HA PRO 34 4.232 9.487 3.482 229 1HB PRO 34 1HB PRO 34 6.357 10.938 4.435 230 2HB PRO 34 2HB PRO 34 6.586 9.585 3.319 231 1HG PRO 34 1HG PRO 34 6.452 12.519 2.631 232 2HG PRO 34 2HG PRO 34 7.659 11.308 2.091 233 1HD PRO 34 1HD PRO 34 5.507 12.046 0.570 234 2HD PRO 34 2HD PRO 34 6.146 10.381 0.531 235 HA PRO 35 HA PRO 35 4.492 9.713 5.784 236 1HB PRO 35 1HB PRO 35 2.993 9.879 8.026 237 2HB PRO 35 2HB PRO 35 4.384 10.963 7.750 238 1HG PRO 35 1HG PRO 35 1.449 11.560 7.259 239 2HG PRO 35 2HG PRO 35 2.638 12.555 8.130 240 1HD PRO 35 1HD PRO 35 2.008 12.956 5.473 241 2HD PRO 35 2HD PRO 35 3.640 13.278 6.113 242 H TRP 36 H TRP 36 3.587 7.654 5.484 243 HA TRP 36 HA TRP 36 0.827 7.430 4.495 244 1HB TRP 36 1HB TRP 36 2.886 5.307 5.132 245 2HB TRP 36 2HB TRP 36 1.310 5.047 4.366 246 HD1 TRP 36 HD1 TRP 36 0.947 6.097 1.922 247 HE1 TRP 36 HE1 TRP 36 2.553 6.977 0.095 248 HE3 TRP 36 HE3 TRP 36 5.310 6.169 4.600 249 HZ2 TRP 36 HZ2 TRP 36 5.272 7.863 -0.077 250 HZ3 TRP 36 HZ3 TRP 36 7.392 7.035 3.573 251 HH2 TRP 36 HH2 TRP 36 7.327 8.069 1.309 252 H SER 37 H SER 37 -0.130 8.457 6.238 253 HA SER 37 HA SER 37 -0.966 6.676 8.423 254 1HB SER 37 1HB SER 37 0.089 9.499 8.942 255 2HB SER 37 2HB SER 37 -0.506 8.317 10.124 256 HG SER 37 HG SER 37 1.251 6.937 9.277 No H/Q in entry = 256 Start of MODEL 19 1 H1 ASP 1 H1 ASP 1 -8.224 -5.452 -5.127 2 H2 ASP 1 H2 ASP 1 -6.789 -6.208 -5.500 3 H3 ASP 1 H3 ASP 1 -8.265 -6.772 -6.084 4 HA ASP 1 HA ASP 1 -8.921 -7.469 -3.966 5 1HB ASP 1 1HB ASP 1 -7.269 -9.122 -3.420 6 2HB ASP 1 2HB ASP 1 -7.127 -8.893 -5.168 7 H ILE 2 H ILE 2 -7.382 -7.885 -1.647 8 HA ILE 2 HA ILE 2 -7.565 -5.386 -0.348 9 HB ILE 2 HB ILE 2 -7.680 -7.631 0.685 10 1HG1 ILE 2 1HG1 ILE 2 -6.405 -7.243 2.737 11 2HG1 ILE 2 2HG1 ILE 2 -5.578 -5.864 2.009 12 1HG2 ILE 2 1HG2 ILE 2 -5.704 -8.683 -0.470 13 2HG2 ILE 2 2HG2 ILE 2 -4.630 -7.683 0.529 14 3HG2 ILE 2 3HG2 ILE 2 -5.665 -8.887 1.288 15 1HD1 ILE 2 1HD1 ILE 2 -8.612 -6.098 2.241 16 2HD1 ILE 2 2HD1 ILE 2 -7.612 -5.464 3.545 17 3HD1 ILE 2 3HD1 ILE 2 -7.642 -4.622 1.986 18 H CYS 3 H CYS 3 -4.804 -6.874 -2.068 19 HA CYS 3 HA CYS 3 -2.810 -5.019 -1.136 20 1HB CYS 3 1HB CYS 3 -2.832 -7.139 -2.970 21 2HB CYS 3 2HB CYS 3 -2.798 -5.755 -4.052 22 H ASP 4 H ASP 4 -5.187 -4.832 -3.736 23 HA ASP 4 HA ASP 4 -4.358 -2.237 -4.699 24 1HB ASP 4 1HB ASP 4 -5.730 -3.908 -5.980 25 2HB ASP 4 2HB ASP 4 -7.105 -3.517 -4.918 26 H ILE 5 H ILE 5 -6.860 -3.387 -2.414 27 HA ILE 5 HA ILE 5 -7.941 -0.948 -1.610 28 HB ILE 5 HB ILE 5 -7.315 -3.311 0.184 29 1HG1 ILE 5 1HG1 ILE 5 -9.759 -2.485 -1.402 30 2HG1 ILE 5 2HG1 ILE 5 -8.805 -3.899 -1.661 31 1HG2 ILE 5 1HG2 ILE 5 -7.677 -1.194 1.467 32 2HG2 ILE 5 2HG2 ILE 5 -9.281 -1.098 0.693 33 3HG2 ILE 5 3HG2 ILE 5 -8.839 -2.446 1.780 34 1HD1 ILE 5 1HD1 ILE 5 -10.540 -3.319 0.799 35 2HD1 ILE 5 2HD1 ILE 5 -10.989 -4.364 -0.513 36 3HD1 ILE 5 3HD1 ILE 5 -9.621 -4.812 0.528 37 H ALA 6 H ALA 6 -5.079 -2.576 -0.143 38 HA ALA 6 HA ALA 6 -4.461 -0.525 1.714 39 1HB ALA 6 1HB ALA 6 -2.210 -1.658 1.764 40 2HB ALA 6 2HB ALA 6 -3.493 -2.889 1.700 41 3HB ALA 6 3HB ALA 6 -2.581 -2.484 0.245 42 H ILE 7 H ILE 7 -3.664 -0.811 -1.731 43 HA ILE 7 HA ILE 7 -1.800 1.411 -1.647 44 HB ILE 7 HB ILE 7 -3.032 -0.095 -3.947 45 1HG1 ILE 7 1HG1 ILE 7 -0.144 -0.135 -2.982 46 2HG1 ILE 7 2HG1 ILE 7 -1.321 -1.177 -2.201 47 1HG2 ILE 7 1HG2 ILE 7 -0.846 2.038 -3.864 48 2HG2 ILE 7 2HG2 ILE 7 -1.138 0.971 -5.242 49 3HG2 ILE 7 3HG2 ILE 7 -2.385 2.120 -4.751 50 1HD1 ILE 7 1HD1 ILE 7 -1.947 -2.189 -4.338 51 2HD1 ILE 7 2HD1 ILE 7 -0.713 -1.237 -5.170 52 3HD1 ILE 7 3HD1 ILE 7 -0.236 -2.425 -3.935 53 H ALA 8 H ALA 8 -5.232 1.027 -2.496 54 HA ALA 8 HA ALA 8 -5.743 3.698 -3.390 55 1HB ALA 8 1HB ALA 8 -7.287 1.703 -3.599 56 2HB ALA 8 2HB ALA 8 -7.588 1.793 -1.859 57 3HB ALA 8 3HB ALA 8 -8.062 3.140 -2.896 58 H GLN 9 H GLN 9 -5.805 2.063 -0.296 59 HA GLN 9 HA GLN 9 -6.597 4.392 1.285 60 1HB GLN 9 1HB GLN 9 -5.957 1.466 1.799 61 2HB GLN 9 2HB GLN 9 -6.140 2.556 3.138 62 1HG GLN 9 1HG GLN 9 -8.380 3.292 2.260 63 2HG GLN 9 2HG GLN 9 -8.141 2.313 0.808 64 2HE2 GLN 9 2HE2 GLN 9 -7.200 0.919 3.869 65 1HE2 GLN 9 1HE2 GLN 9 -8.570 -0.181 3.960 66 H CYS 10 H CYS 10 -3.728 2.923 0.148 67 HA CYS 10 HA CYS 10 -1.576 3.229 0.348 68 1HB CYS 10 1HB CYS 10 -0.732 5.567 0.672 69 2HB CYS 10 2HB CYS 10 -1.607 5.104 -0.762 70 H SER 11 H SER 11 -1.400 1.883 2.001 71 HA SER 11 HA SER 11 -0.672 2.960 4.674 72 1HB SER 11 1HB SER 11 -3.104 2.220 4.667 73 2HB SER 11 2HB SER 11 -2.570 0.637 4.140 74 HG SER 11 HG SER 11 -2.150 1.939 6.608 75 H LEU 12 H LEU 12 1.381 2.201 4.959 76 HA LEU 12 HA LEU 12 2.355 -0.229 3.638 77 1HB LEU 12 1HB LEU 12 3.501 1.298 5.984 78 2HB LEU 12 2HB LEU 12 4.303 0.058 5.011 79 HG LEU 12 HG LEU 12 3.471 2.876 4.159 80 1HD1 LEU 12 1HD1 LEU 12 6.121 1.391 4.433 81 2HD1 LEU 12 2HD1 LEU 12 5.962 3.003 3.716 82 3HD1 LEU 12 3HD1 LEU 12 5.536 2.742 5.431 83 1HD2 LEU 12 1HD2 LEU 12 3.174 1.228 2.241 84 2HD2 LEU 12 2HD2 LEU 12 4.392 2.482 1.970 85 3HD2 LEU 12 3HD2 LEU 12 4.906 0.855 2.414 86 H THR 13 H THR 13 0.772 0.658 6.693 87 HA THR 13 HA THR 13 1.242 -1.859 7.929 88 HB THR 13 HB THR 13 -1.142 -0.014 8.301 89 HG1 THR 13 HG1 THR 13 0.107 1.058 9.776 90 1HG2 THR 13 1HG2 THR 13 -1.337 -2.206 9.485 91 2HG2 THR 13 2HG2 THR 13 0.203 -1.900 10.300 92 3HG2 THR 13 3HG2 THR 13 -1.194 -0.844 10.601 93 H LEU 14 H LEU 14 -1.623 -0.748 6.017 94 HA LEU 14 HA LEU 14 -2.911 -3.267 6.295 95 1HB LEU 14 1HB LEU 14 -3.712 -0.863 5.472 96 2HB LEU 14 2HB LEU 14 -3.476 -1.576 3.876 97 HG LEU 14 HG LEU 14 -5.228 -2.511 6.213 98 1HD1 LEU 14 1HD1 LEU 14 -5.983 -0.425 5.110 99 2HD1 LEU 14 2HD1 LEU 14 -5.965 -1.258 3.538 100 3HD1 LEU 14 3HD1 LEU 14 -7.093 -1.772 4.811 101 1HD2 LEU 14 1HD2 LEU 14 -4.778 -3.611 3.427 102 2HD2 LEU 14 2HD2 LEU 14 -4.667 -4.460 5.001 103 3HD2 LEU 14 3HD2 LEU 14 -6.243 -3.937 4.373 104 H CYS 15 H CYS 15 -0.223 -2.294 4.263 105 HA CYS 15 HA CYS 15 -0.515 -4.205 2.205 106 1HB CYS 15 1HB CYS 15 2.023 -3.147 3.504 107 2HB CYS 15 2HB CYS 15 2.006 -4.266 2.174 108 H GLN 16 H GLN 16 0.478 -4.759 5.656 109 HA GLN 16 HA GLN 16 1.411 -7.364 5.224 110 1HB GLN 16 1HB GLN 16 0.015 -6.009 7.590 111 2HB GLN 16 2HB GLN 16 0.593 -7.676 7.628 112 1HG GLN 16 1HG GLN 16 2.470 -6.768 8.387 113 2HG GLN 16 2HG GLN 16 2.833 -6.621 6.664 114 2HE2 GLN 16 2HE2 GLN 16 1.290 -4.759 9.305 115 1HE2 GLN 16 1HE2 GLN 16 2.149 -3.265 8.943 116 H ASP 17 H ASP 17 -1.934 -6.380 4.735 117 HA ASP 17 HA ASP 17 -2.895 -9.166 5.106 118 1HB ASP 17 1HB ASP 17 -4.174 -6.703 3.832 119 2HB ASP 17 2HB ASP 17 -4.815 -8.335 3.701 120 H CYS 18 H CYS 18 -1.476 -7.159 2.566 121 HA CYS 18 HA CYS 18 -2.274 -8.965 0.416 122 1HB CYS 18 1HB CYS 18 -2.057 -6.707 -0.110 123 2HB CYS 18 2HB CYS 18 -0.405 -6.567 0.503 124 H GLU 19 H GLU 19 -0.933 -10.389 -0.684 125 HA GLU 19 HA GLU 19 0.748 -12.088 0.646 126 1HB GLU 19 1HB GLU 19 -0.276 -12.446 -1.571 127 2HB GLU 19 2HB GLU 19 0.900 -11.314 -2.234 128 1HG GLU 19 1HG GLU 19 2.743 -12.874 -1.412 129 2HG GLU 19 2HG GLU 19 1.457 -13.984 -0.899 130 H ASN 20 H ASN 20 1.836 -9.445 -1.511 131 HA ASN 20 HA ASN 20 4.616 -9.890 -0.646 132 1HB ASN 20 1HB ASN 20 5.129 -8.715 -2.715 133 2HB ASN 20 2HB ASN 20 4.260 -10.219 -2.897 134 2HD2 ASN 20 2HD2 ASN 20 3.012 -6.797 -2.451 135 1HD2 ASN 20 1HD2 ASN 20 2.086 -6.872 -3.942 136 H THR 21 H THR 21 3.963 -8.709 1.477 137 HA THR 21 HA THR 21 3.250 -6.236 1.811 138 HB THR 21 HB THR 21 5.708 -7.014 3.299 139 HG1 THR 21 HG1 THR 21 4.178 -8.195 4.611 140 1HG2 THR 21 1HG2 THR 21 4.575 -4.837 3.840 141 2HG2 THR 21 2HG2 THR 21 3.099 -5.743 4.203 142 3HG2 THR 21 3HG2 THR 21 4.556 -5.992 5.171 143 HA PRO 22 HA PRO 22 7.269 -3.860 0.819 144 1HB PRO 22 1HB PRO 22 9.270 -5.070 -0.686 145 2HB PRO 22 2HB PRO 22 9.205 -5.056 1.096 146 1HG PRO 22 1HG PRO 22 8.217 -7.229 -0.782 147 2HG PRO 22 2HG PRO 22 9.284 -7.421 0.647 148 1HD PRO 22 1HD PRO 22 6.684 -7.907 0.908 149 2HD PRO 22 2HD PRO 22 7.527 -6.925 2.138 150 H ILE 23 H ILE 23 6.018 -6.081 -1.711 151 HA ILE 23 HA ILE 23 6.571 -4.153 -3.873 152 HB ILE 23 HB ILE 23 5.129 -6.721 -3.609 153 1HG1 ILE 23 1HG1 ILE 23 7.646 -6.477 -3.974 154 2HG1 ILE 23 2HG1 ILE 23 6.736 -7.548 -5.014 155 1HG2 ILE 23 1HG2 ILE 23 4.860 -4.838 -5.974 156 2HG2 ILE 23 2HG2 ILE 23 4.543 -6.589 -6.050 157 3HG2 ILE 23 3HG2 ILE 23 3.572 -5.570 -5.001 158 1HD1 ILE 23 1HD1 ILE 23 7.519 -4.727 -5.829 159 2HD1 ILE 23 2HD1 ILE 23 8.366 -6.223 -6.286 160 3HD1 ILE 23 3HD1 ILE 23 6.716 -5.947 -6.843 161 H CYS 24 H CYS 24 3.979 -4.987 -1.590 162 HA CYS 24 HA CYS 24 2.030 -3.140 -2.712 163 1HB CYS 24 1HB CYS 24 1.225 -4.901 -1.405 164 2HB CYS 24 2HB CYS 24 2.240 -4.523 -0.034 165 H GLU 25 H GLU 25 4.473 -2.964 -0.068 166 HA GLU 25 HA GLU 25 4.027 -0.391 0.813 167 1HB GLU 25 1HB GLU 25 6.595 -1.957 0.404 168 2HB GLU 25 2HB GLU 25 6.624 -0.454 1.197 169 1HG GLU 25 1HG GLU 25 5.222 -1.264 3.041 170 2HG GLU 25 2HG GLU 25 5.037 -2.816 2.253 171 H LEU 26 H LEU 26 6.113 -1.524 -1.884 172 HA LEU 26 HA LEU 26 7.057 0.982 -2.662 173 1HB LEU 26 1HB LEU 26 7.929 -1.229 -3.334 174 2HB LEU 26 2HB LEU 26 6.544 -1.431 -4.402 175 HG LEU 26 HG LEU 26 7.179 0.357 -5.797 176 1HD1 LEU 26 1HD1 LEU 26 9.290 1.156 -3.740 177 2HD1 LEU 26 2HD1 LEU 26 9.259 1.743 -5.414 178 3HD1 LEU 26 3HD1 LEU 26 7.936 2.154 -4.329 179 1HD2 LEU 26 1HD2 LEU 26 8.483 -1.798 -5.876 180 2HD2 LEU 26 2HD2 LEU 26 9.382 -0.392 -6.521 181 3HD2 LEU 26 3HD2 LEU 26 9.732 -1.010 -4.883 182 H ALA 27 H ALA 27 4.103 -0.783 -3.728 183 HA ALA 27 HA ALA 27 3.295 1.253 -5.588 184 1HB ALA 27 1HB ALA 27 1.700 -0.893 -4.166 185 2HB ALA 27 2HB ALA 27 1.106 0.133 -5.503 186 3HB ALA 27 3HB ALA 27 2.459 -0.977 -5.772 187 H VAL 28 H VAL 28 2.665 0.813 -2.111 188 HA VAL 28 HA VAL 28 0.758 2.910 -1.767 189 HB VAL 28 HB VAL 28 2.729 1.614 0.053 190 1HG1 VAL 28 1HG1 VAL 28 0.756 3.818 0.694 191 2HG1 VAL 28 2HG1 VAL 28 1.409 2.735 1.936 192 3HG1 VAL 28 3HG1 VAL 28 2.498 3.781 1.029 193 1HG2 VAL 28 1HG2 VAL 28 0.772 0.250 -0.678 194 2HG2 VAL 28 2HG2 VAL 28 0.766 0.594 1.059 195 3HG2 VAL 28 3HG2 VAL 28 -0.295 1.493 -0.023 196 H LYS 29 H LYS 29 4.330 2.875 -1.326 197 HA LYS 29 HA LYS 29 4.814 5.650 -1.098 198 1HB LYS 29 1HB LYS 29 6.243 3.154 -1.936 199 2HB LYS 29 2HB LYS 29 6.842 4.560 -2.778 200 1HG LYS 29 1HG LYS 29 6.489 4.812 0.199 201 2HG LYS 29 2HG LYS 29 7.717 3.702 -0.348 202 1HD LYS 29 1HD LYS 29 8.861 5.332 -1.697 203 2HD LYS 29 2HD LYS 29 7.524 6.475 -1.606 204 1HE LYS 29 1HE LYS 29 9.554 7.100 -0.271 205 2HE LYS 29 2HE LYS 29 8.026 7.141 0.578 206 1HZ LYS 29 1HZ LYS 29 8.706 4.818 1.421 207 2HZ LYS 29 2HZ LYS 29 10.170 5.110 0.806 208 3HZ LYS 29 3HZ LYS 29 9.609 6.052 1.988 209 H GLY 30 H GLY 30 4.266 3.605 -3.921 210 1HA GLY 30 1HA GLY 30 3.580 4.008 -6.028 211 2HA GLY 30 2HA GLY 30 4.659 5.411 -5.989 212 H SER 31 H SER 31 1.616 4.790 -4.078 213 HA SER 31 HA SER 31 0.109 6.547 -5.840 214 1HB SER 31 1HB SER 31 -1.701 6.032 -4.114 215 2HB SER 31 2HB SER 31 -1.089 4.703 -5.107 216 HG SER 31 HG SER 31 -1.274 4.169 -2.877 217 H CYS 32 H CYS 32 1.122 6.620 -2.398 218 HA CYS 32 HA CYS 32 0.294 9.515 -2.258 219 1HB CYS 32 1HB CYS 32 0.133 7.328 -0.209 220 2HB CYS 32 2HB CYS 32 -0.342 8.998 0.082 221 HA PRO 33 HA PRO 33 4.423 10.071 -0.822 222 1HB PRO 33 1HB PRO 33 4.372 12.539 0.325 223 2HB PRO 33 2HB PRO 33 3.989 12.293 -1.402 224 1HG PRO 33 1HG PRO 33 2.036 12.552 0.897 225 2HG PRO 33 2HG PRO 33 2.029 13.417 -0.668 226 1HD PRO 33 1HD PRO 33 0.554 11.127 -0.176 227 2HD PRO 33 2HD PRO 33 1.180 11.543 -1.797 228 HA PRO 34 HA PRO 34 4.697 8.933 3.490 229 1HB PRO 34 1HB PRO 34 7.210 9.988 4.151 230 2HB PRO 34 2HB PRO 34 6.935 8.454 3.351 231 1HG PRO 34 1HG PRO 34 7.697 11.105 2.175 232 2HG PRO 34 2HG PRO 34 8.242 9.493 1.663 233 1HD PRO 34 1HD PRO 34 6.301 10.946 0.348 234 2HD PRO 34 2HD PRO 34 6.296 9.163 0.381 235 HA PRO 35 HA PRO 35 4.622 8.960 5.650 236 1HB PRO 35 1HB PRO 35 3.139 9.434 7.841 237 2HB PRO 35 2HB PRO 35 4.785 10.117 7.659 238 1HG PRO 35 1HG PRO 35 2.151 11.504 7.099 239 2HG PRO 35 2HG PRO 35 3.503 12.089 8.112 240 1HD PRO 35 1HD PRO 35 3.206 12.780 5.437 241 2HD PRO 35 2HD PRO 35 4.795 12.635 6.230 242 H TRP 36 H TRP 36 2.929 7.365 5.959 243 HA TRP 36 HA TRP 36 0.456 7.794 4.349 244 1HB TRP 36 1HB TRP 36 1.809 5.256 5.332 245 2HB TRP 36 2HB TRP 36 0.383 5.344 4.300 246 HD1 TRP 36 HD1 TRP 36 0.771 6.469 1.853 247 HE1 TRP 36 HE1 TRP 36 2.829 6.837 0.369 248 HE3 TRP 36 HE3 TRP 36 4.382 5.077 5.169 249 HZ2 TRP 36 HZ2 TRP 36 5.690 6.915 0.758 250 HZ3 TRP 36 HZ3 TRP 36 6.758 5.386 4.644 251 HH2 TRP 36 HH2 TRP 36 7.428 6.356 2.520 252 H SER 37 H SER 37 0.358 9.183 6.557 253 HA SER 37 HA SER 37 -0.650 9.603 8.534 254 1HB SER 37 1HB SER 37 -2.223 7.020 8.210 255 2HB SER 37 2HB SER 37 -2.643 8.455 9.128 256 HG SER 37 HG SER 37 -2.312 9.487 6.853 No H/Q in entry = 256 Start of MODEL 20 1 H1 ASP 1 H1 ASP 1 -7.396 -6.262 -5.029 2 H2 ASP 1 H2 ASP 1 -8.498 -7.268 -5.730 3 H3 ASP 1 H3 ASP 1 -8.997 -5.945 -4.836 4 HA ASP 1 HA ASP 1 -9.119 -7.938 -3.418 5 1HB ASP 1 1HB ASP 1 -7.162 -9.304 -3.083 6 2HB ASP 1 2HB ASP 1 -7.288 -9.122 -4.832 7 H ILE 2 H ILE 2 -7.574 -8.091 -1.233 8 HA ILE 2 HA ILE 2 -7.635 -5.531 -0.059 9 HB ILE 2 HB ILE 2 -7.695 -7.731 1.078 10 1HG1 ILE 2 1HG1 ILE 2 -6.230 -7.268 3.015 11 2HG1 ILE 2 2HG1 ILE 2 -5.512 -5.902 2.161 12 1HG2 ILE 2 1HG2 ILE 2 -5.626 -8.684 -0.218 13 2HG2 ILE 2 2HG2 ILE 2 -4.639 -7.799 0.940 14 3HG2 ILE 2 3HG2 ILE 2 -5.732 -9.071 1.510 15 1HD1 ILE 2 1HD1 ILE 2 -8.505 -6.211 2.743 16 2HD1 ILE 2 2HD1 ILE 2 -7.359 -5.355 3.792 17 3HD1 ILE 2 3HD1 ILE 2 -7.672 -4.751 2.158 18 H CYS 3 H CYS 3 -4.941 -7.119 -1.822 19 HA CYS 3 HA CYS 3 -2.924 -5.328 -0.844 20 1HB CYS 3 1HB CYS 3 -2.667 -7.519 -2.212 21 2HB CYS 3 2HB CYS 3 -3.077 -6.562 -3.639 22 H ASP 4 H ASP 4 -5.260 -5.185 -3.478 23 HA ASP 4 HA ASP 4 -4.354 -2.635 -4.570 24 1HB ASP 4 1HB ASP 4 -5.662 -4.069 -5.982 25 2HB ASP 4 2HB ASP 4 -6.951 -4.190 -4.788 26 H ILE 5 H ILE 5 -6.846 -3.658 -2.221 27 HA ILE 5 HA ILE 5 -7.874 -1.142 -1.527 28 HB ILE 5 HB ILE 5 -7.329 -3.437 0.378 29 1HG1 ILE 5 1HG1 ILE 5 -9.713 -2.596 -1.247 30 2HG1 ILE 5 2HG1 ILE 5 -8.821 -4.056 -1.481 31 1HG2 ILE 5 1HG2 ILE 5 -9.102 -1.018 0.748 32 2HG2 ILE 5 2HG2 ILE 5 -9.020 -2.426 1.835 33 3HG2 ILE 5 3HG2 ILE 5 -7.612 -1.416 1.644 34 1HD1 ILE 5 1HD1 ILE 5 -9.633 -4.788 0.844 35 2HD1 ILE 5 2HD1 ILE 5 -10.720 -3.374 0.780 36 3HD1 ILE 5 3HD1 ILE 5 -10.850 -4.642 -0.435 37 H ALA 6 H ALA 6 -5.011 -2.756 -0.021 38 HA ALA 6 HA ALA 6 -4.333 -0.698 1.742 39 1HB ALA 6 1HB ALA 6 -2.089 -1.747 1.750 40 2HB ALA 6 2HB ALA 6 -3.360 -2.991 1.771 41 3HB ALA 6 3HB ALA 6 -2.498 -2.641 0.269 42 H ILE 7 H ILE 7 -3.526 -0.956 -1.704 43 HA ILE 7 HA ILE 7 -1.758 1.356 -1.666 44 HB ILE 7 HB ILE 7 -3.038 -0.231 -3.892 45 1HG1 ILE 7 1HG1 ILE 7 -0.130 -0.110 -2.949 46 2HG1 ILE 7 2HG1 ILE 7 -1.272 -1.259 -2.258 47 1HG2 ILE 7 1HG2 ILE 7 -0.895 1.943 -4.031 48 2HG2 ILE 7 2HG2 ILE 7 -1.394 0.905 -5.381 49 3HG2 ILE 7 3HG2 ILE 7 -2.536 2.060 -4.699 50 1HD1 ILE 7 1HD1 ILE 7 -1.755 -2.182 -4.486 51 2HD1 ILE 7 2HD1 ILE 7 -0.468 -1.152 -5.156 52 3HD1 ILE 7 3HD1 ILE 7 -0.077 -2.388 -3.942 53 H ALA 8 H ALA 8 -5.204 0.799 -2.544 54 HA ALA 8 HA ALA 8 -5.744 3.500 -3.338 55 1HB ALA 8 1HB ALA 8 -7.215 1.572 -3.810 56 2HB ALA 8 2HB ALA 8 -7.605 1.442 -2.084 57 3HB ALA 8 3HB ALA 8 -8.079 2.893 -2.990 58 H GLN 9 H GLN 9 -5.704 1.883 -0.225 59 HA GLN 9 HA GLN 9 -6.664 4.056 1.455 60 1HB GLN 9 1HB GLN 9 -5.039 1.521 1.921 61 2HB GLN 9 2HB GLN 9 -5.649 2.510 3.222 62 1HG GLN 9 1HG GLN 9 -7.528 1.273 1.144 63 2HG GLN 9 2HG GLN 9 -6.950 0.417 2.577 64 2HE2 GLN 9 2HE2 GLN 9 -9.092 2.937 1.370 65 1HE2 GLN 9 1HE2 GLN 9 -9.906 3.152 2.917 66 H CYS 10 H CYS 10 -3.681 2.984 0.050 67 HA CYS 10 HA CYS 10 -1.547 3.271 0.306 68 1HB CYS 10 1HB CYS 10 -0.685 5.620 0.557 69 2HB CYS 10 2HB CYS 10 -1.555 5.119 -0.868 70 H SER 11 H SER 11 -1.889 1.960 2.104 71 HA SER 11 HA SER 11 -0.899 3.090 4.692 72 1HB SER 11 1HB SER 11 -3.294 2.588 4.962 73 2HB SER 11 2HB SER 11 -3.074 1.014 4.202 74 HG SER 11 HG SER 11 -1.894 1.913 6.631 75 H LEU 12 H LEU 12 1.101 2.143 5.048 76 HA LEU 12 HA LEU 12 1.913 -0.232 3.538 77 1HB LEU 12 1HB LEU 12 3.323 1.193 5.832 78 2HB LEU 12 2HB LEU 12 3.903 -0.187 4.904 79 HG LEU 12 HG LEU 12 3.479 1.403 2.802 80 1HD1 LEU 12 1HD1 LEU 12 4.024 3.391 5.031 81 2HD1 LEU 12 2HD1 LEU 12 4.047 3.683 3.270 82 3HD1 LEU 12 3HD1 LEU 12 2.530 3.275 4.075 83 1HD2 LEU 12 1HD2 LEU 12 5.834 1.461 4.711 84 2HD2 LEU 12 2HD2 LEU 12 5.638 0.495 3.249 85 3HD2 LEU 12 3HD2 LEU 12 5.865 2.235 3.107 86 H THR 13 H THR 13 0.728 0.643 6.785 87 HA THR 13 HA THR 13 1.050 -1.895 7.961 88 HB THR 13 HB THR 13 -1.173 0.128 8.466 89 HG1 THR 13 HG1 THR 13 1.006 0.933 8.566 90 1HG2 THR 13 1HG2 THR 13 0.062 -2.007 10.267 91 2HG2 THR 13 2HG2 THR 13 -1.171 -0.819 10.756 92 3HG2 THR 13 3HG2 THR 13 -1.560 -2.074 9.576 93 H LEU 14 H LEU 14 -1.733 -0.646 6.011 94 HA LEU 14 HA LEU 14 -3.092 -3.172 6.174 95 1HB LEU 14 1HB LEU 14 -3.841 -0.699 5.546 96 2HB LEU 14 2HB LEU 14 -3.571 -1.252 3.898 97 HG LEU 14 HG LEU 14 -5.220 -2.898 5.844 98 1HD1 LEU 14 1HD1 LEU 14 -6.156 -0.304 4.577 99 2HD1 LEU 14 2HD1 LEU 14 -7.230 -1.505 5.328 100 3HD1 LEU 14 3HD1 LEU 14 -6.024 -0.662 6.307 101 1HD2 LEU 14 1HD2 LEU 14 -5.533 -2.205 2.894 102 2HD2 LEU 14 2HD2 LEU 14 -4.889 -3.733 3.549 103 3HD2 LEU 14 3HD2 LEU 14 -6.582 -3.277 3.819 104 H CYS 15 H CYS 15 -0.389 -2.057 4.256 105 HA CYS 15 HA CYS 15 -0.712 -4.053 2.162 106 1HB CYS 15 1HB CYS 15 1.689 -2.435 3.047 107 2HB CYS 15 2HB CYS 15 1.851 -3.788 1.969 108 H GLN 16 H GLN 16 0.217 -4.280 5.547 109 HA GLN 16 HA GLN 16 1.741 -6.730 5.178 110 1HB GLN 16 1HB GLN 16 0.252 -5.932 7.663 111 2HB GLN 16 2HB GLN 16 1.624 -7.034 7.490 112 1HG GLN 16 1HG GLN 16 1.633 -4.003 7.347 113 2HG GLN 16 2HG GLN 16 2.452 -5.059 8.483 114 2HE2 GLN 16 2HE2 GLN 16 2.657 -3.450 5.417 115 1HE2 GLN 16 1HE2 GLN 16 4.310 -3.932 5.060 116 H ASP 17 H ASP 17 -1.635 -6.014 4.773 117 HA ASP 17 HA ASP 17 -2.494 -8.809 5.193 118 1HB ASP 17 1HB ASP 17 -3.903 -6.495 3.814 119 2HB ASP 17 2HB ASP 17 -4.545 -8.110 4.113 120 H CYS 18 H CYS 18 -0.952 -6.890 2.686 121 HA CYS 18 HA CYS 18 -1.948 -8.462 0.425 122 1HB CYS 18 1HB CYS 18 -1.206 -6.143 0.091 123 2HB CYS 18 2HB CYS 18 0.425 -6.558 0.599 124 H GLU 19 H GLU 19 -1.048 -10.277 -0.393 125 HA GLU 19 HA GLU 19 0.774 -11.936 0.818 126 1HB GLU 19 1HB GLU 19 -0.540 -12.766 -0.908 127 2HB GLU 19 2HB GLU 19 0.029 -11.545 -2.043 128 1HG GLU 19 1HG GLU 19 0.921 -13.846 -2.463 129 2HG GLU 19 2HG GLU 19 2.176 -12.623 -2.279 130 H ASN 20 H ASN 20 1.680 -9.820 -2.021 131 HA ASN 20 HA ASN 20 4.478 -10.023 -1.187 132 1HB ASN 20 1HB ASN 20 4.952 -8.904 -3.201 133 2HB ASN 20 2HB ASN 20 4.178 -10.458 -3.432 134 2HD2 ASN 20 2HD2 ASN 20 2.580 -7.188 -2.928 135 1HD2 ASN 20 1HD2 ASN 20 1.773 -7.301 -4.499 136 H THR 21 H THR 21 3.611 -8.984 0.840 137 HA THR 21 HA THR 21 2.918 -6.507 1.320 138 HB THR 21 HB THR 21 5.217 -7.863 2.646 139 HG1 THR 21 HG1 THR 21 2.439 -8.338 2.633 140 1HG2 THR 21 1HG2 THR 21 3.144 -5.901 3.654 141 2HG2 THR 21 2HG2 THR 21 4.272 -6.824 4.682 142 3HG2 THR 21 3HG2 THR 21 4.876 -5.632 3.509 143 HA PRO 22 HA PRO 22 6.983 -4.191 0.850 144 1HB PRO 22 1HB PRO 22 9.140 -5.196 -0.582 145 2HB PRO 22 2HB PRO 22 8.880 -5.498 1.163 146 1HG PRO 22 1HG PRO 22 8.091 -7.297 -1.154 147 2HG PRO 22 2HG PRO 22 9.019 -7.737 0.309 148 1HD PRO 22 1HD PRO 22 6.381 -8.207 0.228 149 2HD PRO 22 2HD PRO 22 7.120 -7.509 1.699 150 H ILE 23 H ILE 23 6.039 -6.177 -1.950 151 HA ILE 23 HA ILE 23 6.562 -4.241 -4.013 152 HB ILE 23 HB ILE 23 4.826 -6.624 -3.721 153 1HG1 ILE 23 1HG1 ILE 23 7.357 -6.712 -4.070 154 2HG1 ILE 23 2HG1 ILE 23 6.299 -7.641 -5.119 155 1HG2 ILE 23 1HG2 ILE 23 4.787 -4.744 -6.088 156 2HG2 ILE 23 2HG2 ILE 23 4.258 -6.444 -6.146 157 3HG2 ILE 23 3HG2 ILE 23 3.416 -5.300 -5.103 158 1HD1 ILE 23 1HD1 ILE 23 7.506 -4.979 -5.914 159 2HD1 ILE 23 2HD1 ILE 23 8.081 -6.599 -6.389 160 3HD1 ILE 23 3HD1 ILE 23 6.495 -6.035 -6.921 161 H CYS 24 H CYS 24 3.841 -5.053 -1.874 162 HA CYS 24 HA CYS 24 1.985 -3.111 -2.885 163 1HB CYS 24 1HB CYS 24 1.339 -5.046 -1.648 164 2HB CYS 24 2HB CYS 24 2.133 -4.502 -0.186 165 H GLU 25 H GLU 25 4.282 -3.065 -0.109 166 HA GLU 25 HA GLU 25 3.831 -0.454 0.802 167 1HB GLU 25 1HB GLU 25 6.196 -2.327 0.735 168 2HB GLU 25 2HB GLU 25 6.382 -0.811 1.484 169 1HG GLU 25 1HG GLU 25 4.268 -1.374 2.892 170 2HG GLU 25 2HG GLU 25 4.414 -3.010 2.269 171 H LEU 26 H LEU 26 6.020 -1.626 -1.797 172 HA LEU 26 HA LEU 26 7.173 0.854 -2.483 173 1HB LEU 26 1HB LEU 26 7.856 -1.387 -3.212 174 2HB LEU 26 2HB LEU 26 6.537 -1.398 -4.382 175 HG LEU 26 HG LEU 26 8.821 -0.783 -5.095 176 1HD1 LEU 26 1HD1 LEU 26 6.832 -0.325 -6.506 177 2HD1 LEU 26 2HD1 LEU 26 6.752 1.316 -5.833 178 3HD1 LEU 26 3HD1 LEU 26 8.152 0.819 -6.794 179 1HD2 LEU 26 1HD2 LEU 26 9.502 0.679 -3.298 180 2HD2 LEU 26 2HD2 LEU 26 9.771 1.376 -4.905 181 3HD2 LEU 26 3HD2 LEU 26 8.423 1.952 -3.913 182 H ALA 27 H ALA 27 4.230 -0.731 -3.812 183 HA ALA 27 HA ALA 27 3.534 1.430 -5.530 184 1HB ALA 27 1HB ALA 27 1.823 -0.746 -4.300 185 2HB ALA 27 2HB ALA 27 1.266 0.412 -5.540 186 3HB ALA 27 3HB ALA 27 2.592 -0.698 -5.907 187 H VAL 28 H VAL 28 2.580 0.803 -2.111 188 HA VAL 28 HA VAL 28 0.815 2.963 -1.714 189 HB VAL 28 HB VAL 28 2.750 1.605 0.104 190 1HG1 VAL 28 1HG1 VAL 28 0.852 3.868 0.764 191 2HG1 VAL 28 2HG1 VAL 28 1.470 2.740 1.981 192 3HG1 VAL 28 3HG1 VAL 28 2.595 3.776 1.101 193 1HG2 VAL 28 1HG2 VAL 28 0.761 0.331 -0.646 194 2HG2 VAL 28 2HG2 VAL 28 0.719 0.701 1.101 195 3HG2 VAL 28 3HG2 VAL 28 -0.275 1.612 -0.028 196 H LYS 29 H LYS 29 4.435 2.862 -1.362 197 HA LYS 29 HA LYS 29 4.608 5.602 -0.676 198 1HB LYS 29 1HB LYS 29 6.602 3.599 -1.817 199 2HB LYS 29 2HB LYS 29 6.999 5.209 -1.218 200 1HG LYS 29 1HG LYS 29 6.232 4.642 1.034 201 2HG LYS 29 2HG LYS 29 5.581 3.120 0.505 202 1HD LYS 29 1HD LYS 29 7.731 2.864 1.677 203 2HD LYS 29 2HD LYS 29 7.753 2.206 0.044 204 1HE LYS 29 1HE LYS 29 9.832 3.422 0.585 205 2HE LYS 29 2HE LYS 29 8.999 4.103 -0.807 206 1HZ LYS 29 1HZ LYS 29 8.909 5.174 1.949 207 2HZ LYS 29 2HZ LYS 29 9.883 5.721 0.779 208 3HZ LYS 29 3HZ LYS 29 8.277 5.946 0.609 209 H GLY 30 H GLY 30 4.326 3.954 -3.735 210 1HA GLY 30 1HA GLY 30 4.493 4.700 -5.886 211 2HA GLY 30 2HA GLY 30 5.213 6.223 -5.338 212 H SER 31 H SER 31 2.097 5.016 -4.030 213 HA SER 31 HA SER 31 0.559 6.549 -6.024 214 1HB SER 31 1HB SER 31 -1.364 5.698 -4.497 215 2HB SER 31 2HB SER 31 -0.495 4.543 -5.518 216 HG SER 31 HG SER 31 0.627 3.821 -3.773 217 H CYS 32 H CYS 32 1.335 6.649 -2.524 218 HA CYS 32 HA CYS 32 0.325 9.478 -2.442 219 1HB CYS 32 1HB CYS 32 0.203 7.304 -0.376 220 2HB CYS 32 2HB CYS 32 -0.240 8.965 -0.028 221 HA PRO 33 HA PRO 33 4.524 10.100 -1.086 222 1HB PRO 33 1HB PRO 33 4.319 12.522 0.186 223 2HB PRO 33 2HB PRO 33 4.190 12.340 -1.584 224 1HG PRO 33 1HG PRO 33 1.944 12.520 0.457 225 2HG PRO 33 2HG PRO 33 2.094 13.457 -1.061 226 1HD PRO 33 1HD PRO 33 0.587 11.207 -0.889 227 2HD PRO 33 2HD PRO 33 1.512 11.586 -2.373 228 HA PRO 34 HA PRO 34 4.576 9.124 3.371 229 1HB PRO 34 1HB PRO 34 6.760 10.594 4.269 230 2HB PRO 34 2HB PRO 34 6.943 9.082 3.386 231 1HG PRO 34 1HG PRO 34 7.081 11.870 2.277 232 2HG PRO 34 2HG PRO 34 8.180 10.500 1.960 233 1HD PRO 34 1HD PRO 34 6.194 11.151 0.220 234 2HD PRO 34 2HD PRO 34 6.598 9.452 0.536 235 HA PRO 35 HA PRO 35 4.364 9.341 5.572 236 1HB PRO 35 1HB PRO 35 2.496 9.723 7.496 237 2HB PRO 35 2HB PRO 35 4.048 10.602 7.483 238 1HG PRO 35 1HG PRO 35 1.332 11.546 6.529 239 2HG PRO 35 2HG PRO 35 2.520 12.421 7.545 240 1HD PRO 35 1HD PRO 35 2.271 12.762 4.795 241 2HD PRO 35 2HD PRO 35 3.794 13.015 5.692 242 H TRP 36 H TRP 36 2.737 7.633 6.292 243 HA TRP 36 HA TRP 36 0.319 7.480 4.529 244 1HB TRP 36 1HB TRP 36 2.227 5.269 5.329 245 2HB TRP 36 2HB TRP 36 0.763 5.066 4.366 246 HD1 TRP 36 HD1 TRP 36 0.736 6.302 1.956 247 HE1 TRP 36 HE1 TRP 36 2.615 6.926 0.305 248 HE3 TRP 36 HE3 TRP 36 4.711 5.770 5.066 249 HZ2 TRP 36 HZ2 TRP 36 5.470 7.385 0.427 250 HZ3 TRP 36 HZ3 TRP 36 7.010 6.360 4.319 251 HH2 TRP 36 HH2 TRP 36 7.383 7.220 2.022 252 H SER 37 H SER 37 -1.091 5.616 5.463 253 HA SER 37 HA SER 37 -1.694 6.296 8.287 254 1HB SER 37 1HB SER 37 -3.129 4.479 6.314 255 2HB SER 37 2HB SER 37 -3.725 5.006 7.891 256 HG SER 37 HG SER 37 -2.891 6.895 5.937 No H/Q in entry = 256
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