NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16166 | 1znt | 6656 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 H1 VAL 1 8.087 6.092 8.441 2 2H VAL 1 H2 VAL 1 6.466 6.064 8.040 3 3H VAL 1 H3 VAL 1 7.628 5.657 6.931 4 HA VAL 1 HA VAL 1 8.126 3.676 7.884 5 HB VAL 1 HB VAL 1 8.263 4.459 10.175 6 1HG1 VAL 1 1HG1 VAL 1 6.157 5.773 10.363 7 2HG1 VAL 1 2HG1 VAL 1 5.222 4.263 10.316 8 3HG1 VAL 1 3HG1 VAL 1 6.333 4.580 11.653 9 1HG2 VAL 1 1HG2 VAL 1 8.157 2.031 9.659 10 2HG2 VAL 1 2HG2 VAL 1 7.540 2.429 11.270 11 3HG2 VAL 1 3HG2 VAL 1 6.405 2.054 9.966 12 H GLY 2 H GLY 2 7.055 2.125 6.928 13 1HA GLY 2 HA3 GLY 2 5.045 0.689 6.579 14 2HA GLY 2 HA2 GLY 2 4.034 2.118 6.826 15 H GLU 3 H GLU 3 7.002 2.383 4.984 16 HA GLU 3 HA GLU 3 5.453 3.276 2.641 17 1HB GLU 3 HB2 GLU 3 7.679 4.084 1.976 18 2HB GLU 3 HB1 GLU 3 7.030 4.791 3.298 19 1HG GLU 3 HG2 GLU 3 9.072 2.788 3.532 20 2HG GLU 3 HG1 GLU 3 9.442 4.372 3.383 21 H CYS 4 H CYS 4 5.354 2.225 0.733 22 HA CYS 4 HA CYS 4 6.331 -0.503 0.601 23 1HB CYS 4 HB2 CYS 4 5.355 1.117 -1.658 24 2HB CYS 4 HB1 CYS 4 5.294 -0.506 -1.493 25 H VAL 5 H VAL 5 7.698 -1.363 -1.053 26 HA VAL 5 HA VAL 5 9.917 0.292 -2.054 27 HB VAL 5 HB VAL 5 9.168 -2.575 -2.744 28 1HG1 VAL 5 1HG1 VAL 5 11.821 -1.039 -2.887 29 2HG1 VAL 5 2HG1 VAL 5 11.599 -2.755 -3.277 30 3HG1 VAL 5 3HG1 VAL 5 10.856 -1.524 -4.296 31 1HG2 VAL 5 1HG2 VAL 5 10.975 -1.498 -0.545 32 2HG2 VAL 5 2HG2 VAL 5 9.491 -2.449 -0.328 33 3HG2 VAL 5 3HG2 VAL 5 10.909 -3.193 -1.064 34 H ARG 6 H ARG 6 7.874 1.588 -2.757 35 HA ARG 6 HA ARG 6 6.515 2.512 -4.327 36 1HB ARG 6 HB2 ARG 6 8.680 1.698 -6.166 37 2HB ARG 6 HB1 ARG 6 7.567 2.855 -6.463 38 1HG ARG 6 HG2 ARG 6 9.637 3.000 -4.464 39 2HG ARG 6 HG1 ARG 6 9.585 3.879 -5.839 40 1HD ARG 6 HD2 ARG 6 8.838 5.412 -4.397 41 2HD ARG 6 HD1 ARG 6 7.413 4.745 -4.834 42 HE ARG 6 HE ARG 6 8.657 3.591 -2.517 43 1HH1 ARG 6 2HH2 ARG 6 6.294 6.015 -3.501 44 2HH1 ARG 6 1HH2 ARG 6 5.515 5.973 -1.955 45 1HH2 ARG 6 2HH1 ARG 6 7.552 3.483 -0.671 46 2HH2 ARG 6 1HH1 ARG 6 6.222 4.549 -0.368 47 H GLY 7 H GLY 7 5.855 0.074 -3.624 48 1HA GLY 7 HA3 GLY 7 3.550 -0.333 -5.031 49 2HA GLY 7 HA2 GLY 7 4.656 -1.328 -5.971 50 H ARG 8 H ARG 8 6.124 -2.236 -3.425 51 HA ARG 8 HA ARG 8 3.939 -3.843 -2.171 52 1HB ARG 8 HB2 ARG 8 6.149 -4.746 -3.792 53 2HB ARG 8 HB1 ARG 8 6.038 -5.543 -2.371 54 1HG ARG 8 HG2 ARG 8 3.537 -5.391 -3.515 55 2HG ARG 8 HG1 ARG 8 4.581 -6.031 -4.596 56 1HD ARG 8 HD2 ARG 8 3.541 -7.751 -3.337 57 2HD ARG 8 HD1 ARG 8 5.151 -7.739 -3.063 58 HE ARG 8 HE ARG 8 4.833 -7.278 -0.838 59 1HH1 ARG 8 2HH2 ARG 8 1.753 -6.688 -2.486 60 2HH1 ARG 8 1HH2 ARG 8 0.906 -6.684 -0.976 61 1HH2 ARG 8 2HH1 ARG 8 3.646 -7.231 0.979 62 2HH2 ARG 8 1HH1 ARG 8 1.934 -6.978 0.905 63 H CYS 9 H CYS 9 4.649 -5.126 -0.384 64 HA CYS 9 HA CYS 9 6.671 -4.033 1.443 65 1HB CYS 9 HB2 CYS 9 3.783 -3.741 1.639 66 2HB CYS 9 HB1 CYS 9 4.507 -4.279 3.001 67 HA PRO 10 HA PRO 10 7.058 -8.202 2.820 68 1HB PRO 10 HB2 PRO 10 5.798 -7.628 5.420 69 2HB PRO 10 HB1 PRO 10 7.179 -8.440 5.106 70 1HG PRO 10 HG2 PRO 10 7.385 -5.979 5.847 71 2HG PRO 10 HG1 PRO 10 8.346 -6.483 4.626 72 1HD PRO 10 HD2 PRO 10 5.876 -5.002 4.415 73 2HD PRO 10 HD1 PRO 10 7.246 -4.768 3.556 74 H SER 11 H SER 11 5.946 -10.174 3.951 75 HA SER 11 HA SER 11 3.924 -10.861 2.074 76 1HB SER 11 HB2 SER 11 4.055 -12.992 3.185 77 2HB SER 11 HB1 SER 11 5.553 -12.412 2.890 78 HG SER 11 HG SER 11 4.191 -12.224 5.277 79 H GLY 12 H GLY 12 2.351 -9.357 2.595 80 1HA GLY 12 HA3 GLY 12 -0.026 -10.533 3.224 81 2HA GLY 12 HA2 GLY 12 0.468 -9.981 4.824 82 H MET 13 H MET 13 1.728 -7.479 3.372 83 HA MET 13 HA MET 13 -0.712 -5.905 3.738 84 1HB MET 13 HB2 MET 13 2.007 -5.034 2.983 85 2HB MET 13 HB1 MET 13 0.787 -4.054 3.450 86 1HG MET 13 HG2 MET 13 1.948 -4.187 5.341 87 2HG MET 13 HG1 MET 13 0.867 -5.390 5.567 88 1HE MET 13 HE1 MET 13 3.522 -4.957 7.270 89 2HE MET 13 HE2 MET 13 2.338 -6.240 7.621 90 3HE MET 13 HE3 MET 13 4.061 -6.643 7.437 91 H CYS 14 H CYS 14 -1.295 -4.138 2.266 92 HA CYS 14 HA CYS 14 -0.791 -4.642 -0.638 93 1HB CYS 14 HB2 CYS 14 -3.214 -3.418 0.499 94 2HB CYS 14 HB1 CYS 14 -2.993 -4.011 -1.006 95 H CYS 15 H CYS 15 -1.000 -2.432 -1.847 96 HA CYS 15 HA CYS 15 0.478 -0.427 -0.185 97 1HB CYS 15 HB2 CYS 15 1.848 -1.757 -1.683 98 2HB CYS 15 HB1 CYS 15 0.996 -1.232 -2.974 99 H SER 16 H SER 16 0.295 1.748 -0.703 100 HA SER 16 HA SER 16 -2.320 2.462 -1.873 101 1HB SER 16 HB2 SER 16 -2.281 4.152 -0.297 102 2HB SER 16 HB1 SER 16 -1.581 2.913 0.505 103 HG SER 16 HG SER 16 -0.518 4.830 0.820 104 H GLN 17 H GLN 17 -2.301 5.022 -2.193 105 HA GLN 17 HA GLN 17 -1.012 5.253 -4.772 106 1HB GLN 17 HB2 GLN 17 -2.841 7.130 -3.404 107 2HB GLN 17 HB1 GLN 17 -2.516 7.078 -5.004 108 1HG GLN 17 HG2 GLN 17 -4.604 6.122 -4.750 109 2HG GLN 17 HG1 GLN 17 -3.583 4.884 -5.054 110 1HE2 GLN 17 1HE2 GLN 17 -4.815 3.148 -4.014 111 2HE2 GLN 17 2HE2 GLN 17 -4.834 3.189 -2.246 112 1HN PFF 18 H PFF 18 -0.169 6.295 -1.622 113 HA PFF 18 HA PFF 18 1.927 8.131 -2.750 114 1HBC PFF 18 HB2 PFF 18 0.745 7.741 0.006 115 2HBC PFF 18 HB3 PFF 18 2.429 8.229 -0.157 116 HD1 PFF 18 HD1 PFF 18 -0.201 9.434 -2.521 117 HD2 PFF 18 HD2 PFF 18 2.294 10.329 0.887 118 HE1 PFF 18 HE1 PFF 18 -0.589 11.840 -2.866 119 HE2 PFF 18 HE2 PFF 18 1.890 12.748 0.535 120 H GLY 19 H GLY 19 1.405 4.868 -2.436 121 1HA GLY 19 HA3 GLY 19 2.717 3.064 -2.128 122 2HA GLY 19 HA2 GLY 19 4.140 4.088 -2.276 123 1HN PFF 20 H PFF 20 1.466 3.907 0.136 124 HA PFF 20 HA PFF 20 3.466 2.985 2.145 125 1HBC PFF 20 HB2 PFF 20 0.981 4.681 2.466 126 2HBC PFF 20 HB3 PFF 20 1.686 3.761 3.785 127 HD1 PFF 20 HD1 PFF 20 2.386 6.505 1.377 128 HD2 PFF 20 HD2 PFF 20 3.645 4.476 4.959 129 HE1 PFF 20 HE1 PFF 20 4.134 8.241 1.752 130 HE2 PFF 20 HE2 PFF 20 5.418 6.171 5.301 131 H CYS 21 H CYS 21 2.433 1.329 3.665 132 HA CYS 21 HA CYS 21 0.408 -0.210 2.101 133 1HB CYS 21 HB2 CYS 21 1.746 -2.128 2.437 134 2HB CYS 21 HB1 CYS 21 2.624 -0.981 1.675 135 H GLY 22 H GLY 22 -0.780 -1.806 3.072 136 1HA GLY 22 HA3 GLY 22 -0.870 -2.430 5.845 137 2HA GLY 22 HA2 GLY 22 -1.911 -1.019 5.544 138 H LYS 23 H LYS 23 -3.570 -2.670 6.261 139 HA LYS 23 HA LYS 23 -4.691 -3.962 3.817 140 1HB LYS 23 HB2 LYS 23 -3.736 -5.407 5.863 141 2HB LYS 23 HB1 LYS 23 -5.309 -5.303 6.292 142 1HG LYS 23 HG2 LYS 23 -5.996 -6.237 4.261 143 2HG LYS 23 HG1 LYS 23 -4.483 -6.144 3.653 144 1HD LYS 23 HD2 LYS 23 -3.774 -7.749 5.318 145 2HD LYS 23 HD1 LYS 23 -5.335 -7.911 5.771 146 1HE LYS 23 HE2 LYS 23 -4.809 -9.685 4.330 147 2HE LYS 23 HE1 LYS 23 -5.855 -8.697 3.557 148 1HZ LYS 23 HZ1 LYS 23 -3.005 -8.617 3.164 149 2HZ LYS 23 HZ2 LYS 23 -4.043 -9.391 2.149 150 3HZ LYS 23 HZ3 LYS 23 -4.109 -7.757 2.318 151 H GLY 24 H GLY 24 -5.132 -1.392 4.728 152 1HA GLY 24 HA3 GLY 24 -8.022 -1.428 5.497 153 2HA GLY 24 HA2 GLY 24 -6.922 -0.098 5.884 154 HA PRO 25 HA PRO 25 -9.887 0.272 2.146 155 1HB PRO 25 HB2 PRO 25 -9.658 3.023 3.199 156 2HB PRO 25 HB1 PRO 25 -10.918 2.339 2.417 157 1HG PRO 25 HG2 PRO 25 -10.955 2.305 4.998 158 2HG PRO 25 HG1 PRO 25 -11.419 0.948 4.216 159 1HD PRO 25 HD2 PRO 25 -8.925 1.440 5.541 160 2HD PRO 25 HD1 PRO 25 -9.711 0.016 5.394 161 H LYS 26 H LYS 26 -7.649 3.137 2.420 162 HA LYS 26 HA LYS 26 -7.207 2.989 -0.430 163 1HB LYS 26 HB2 LYS 26 -5.962 4.630 1.682 164 2HB LYS 26 HB1 LYS 26 -5.649 4.816 0.089 165 1HG LYS 26 HG2 LYS 26 -8.174 5.085 -0.069 166 2HG LYS 26 HG1 LYS 26 -8.033 5.499 1.504 167 1HD LYS 26 HD2 LYS 26 -7.832 7.521 0.461 168 2HD LYS 26 HD1 LYS 26 -6.270 7.101 0.689 169 1HE LYS 26 HE2 LYS 26 -6.340 6.113 -1.565 170 2HE LYS 26 HE1 LYS 26 -7.772 6.873 -1.762 171 1HZ LYS 26 HZ1 LYS 26 -6.350 8.339 -2.707 172 2HZ LYS 26 HZ2 LYS 26 -6.500 8.966 -1.234 173 3HZ LYS 26 HZ3 LYS 26 -5.178 8.077 -1.548 174 H TYR 27 H TYR 27 -5.814 1.019 1.923 175 HA TYR 27 HA TYR 27 -3.204 0.830 0.501 176 1HB TYR 27 HB2 TYR 27 -4.208 -0.671 2.838 177 2HB TYR 27 HB1 TYR 27 -2.702 -0.761 2.212 178 HD1 TYR 27 HD1 TYR 27 -1.261 1.388 2.176 179 HD2 TYR 27 HD2 TYR 27 -4.723 0.789 4.653 180 HE1 TYR 27 HE1 TYR 27 -0.436 3.123 3.770 181 HE2 TYR 27 HE2 TYR 27 -3.840 2.477 6.273 182 HH TYR 27 HH TYR 27 -0.861 4.351 5.734 183 H CYS 28 H CYS 28 -6.076 -1.286 1.338 184 HA CYS 28 HA CYS 28 -5.204 -2.974 -0.989 185 1HB CYS 28 HB2 CYS 28 -5.192 -3.667 1.487 186 2HB CYS 28 HB1 CYS 28 -6.790 -3.920 1.265 187 H GLY 29 H GLY 29 -7.560 -0.699 -0.490 188 1HA GLY 29 HA3 GLY 29 -9.587 -0.367 -1.569 189 2HA GLY 29 HA2 GLY 29 -9.564 -2.017 -2.197 190 H ARG 30 H ARG 30 -8.819 -1.980 1.088 191 HA ARG 30 HA ARG 30 -10.982 -1.753 2.666 192 1HB ARG 30 HB2 ARG 30 -11.944 -3.904 2.866 193 2HB ARG 30 HB1 ARG 30 -12.109 -3.461 1.302 194 1HG ARG 30 HG2 ARG 30 -10.211 -5.398 2.254 195 2HG ARG 30 HG1 ARG 30 -11.614 -5.766 1.503 196 1HD ARG 30 HD2 ARG 30 -9.338 -4.506 0.275 197 2HD ARG 30 HD1 ARG 30 -9.861 -6.026 -0.016 198 HE ARG 30 HE ARG 30 -11.687 -3.875 -0.634 199 1HH1 ARG 30 2HH1 ARG 30 -8.908 -5.372 -2.011 200 2HH1 ARG 30 1HH1 ARG 30 -9.537 -5.306 -3.623 201 1HH2 ARG 30 2HH2 ARG 30 -12.644 -4.124 -2.694 202 2HH2 ARG 30 1HH2 ARG 30 -11.622 -4.609 -4.005 203 1HN NH2 31 1HN NH2 31 -10.615 -3.534 4.695 204 2HN NH2 31 2HN NH2 31 -8.880 -3.671 5.009 205 H1 NAG 32 H1 NAG 32 -7.275 13.992 -2.646 206 H2 NAG 32 H2 NAG 32 -5.974 11.343 -3.359 207 H3 NAG 32 H3 NAG 32 -6.648 12.499 -0.618 208 H4 NAG 32 H4 NAG 32 -3.988 11.871 -1.983 209 H5 NAG 32 H5 NAG 32 -5.339 14.517 -1.276 210 1H6 NAG 32 1H6 NAG 32 -2.998 14.840 -0.972 211 2H6 NAG 32 2H6 NAG 32 -3.388 15.488 -2.571 212 1H8 NAG 32 1H8 NAG 32 -9.901 8.913 -3.799 213 2H8 NAG 32 2H8 NAG 32 -10.239 9.918 -2.365 214 3H8 NAG 32 3H8 NAG 32 -10.258 10.642 -4.005 215 HN2 NAG 32 HN2 NAG 32 -8.788 11.966 -2.501 216 HO1 NAG 32 HO1 NAG 32 -6.255 13.866 -4.974 217 HO3 NAG 32 HO3 NAG 32 -5.209 10.609 -0.167 218 HO6 NAG 32 HO6 NAG 32 -1.513 14.225 -2.632 219 H1 NAG 33 H1 NAG 33 -2.234 11.739 -0.481 220 H2 NAG 33 H2 NAG 33 -3.233 12.101 2.352 221 H3 NAG 33 H3 NAG 33 -0.511 11.013 1.547 222 H4 NAG 33 H4 NAG 33 -2.876 9.528 2.739 223 H5 NAG 33 H5 NAG 33 -1.739 9.487 -0.085 224 1H6 NAG 33 1H6 NAG 33 -3.945 7.809 1.190 225 2H6 NAG 33 2H6 NAG 33 -2.353 7.238 0.652 226 1H8 NAG 33 1H8 NAG 33 0.539 15.652 2.007 227 2H8 NAG 33 2H8 NAG 33 -0.476 15.543 0.549 228 3H8 NAG 33 3H8 NAG 33 -1.202 16.003 2.124 229 HN2 NAG 33 HN2 NAG 33 -2.415 14.138 1.041 230 HO3 NAG 33 HO3 NAG 33 -0.515 12.007 3.480 231 HO6 NAG 33 HO6 NAG 33 -3.622 6.768 -1.003 232 H1 NAG 34 H1 NAG 34 -1.330 8.961 4.371 233 H2 NAG 34 H2 NAG 34 0.231 6.552 3.405 234 H3 NAG 34 H3 NAG 34 -0.558 7.398 6.212 235 H4 NAG 34 H4 NAG 34 2.156 7.297 4.828 236 H5 NAG 34 H5 NAG 34 0.496 9.668 5.734 237 1H6 NAG 34 1H6 NAG 34 2.294 11.022 4.836 238 2H6 NAG 34 2H6 NAG 34 3.159 9.593 4.252 239 1H8 NAG 34 1H8 NAG 34 -4.312 5.878 2.933 240 2H8 NAG 34 2H8 NAG 34 -3.741 4.207 2.609 241 3H8 NAG 34 3H8 NAG 34 -3.843 4.806 4.282 242 HN2 NAG 34 HN2 NAG 34 -2.415 6.452 4.883 243 HO4 NAG 34 HO4 NAG 34 2.619 8.361 6.946 244 HO3 NAG 34 HO3 NAG 34 1.136 5.809 6.529 245 HO6 NAG 34 HO6 NAG 34 3.931 10.522 6.256 Start of MODEL 2 1 1H VAL 1 H1 VAL 1 9.089 6.818 6.880 2 2H VAL 1 H2 VAL 1 7.431 6.930 6.804 3 3H VAL 1 H3 VAL 1 8.300 6.151 5.633 4 HA VAL 1 HA VAL 1 8.898 4.397 7.030 5 HB VAL 1 HB VAL 1 7.430 5.885 9.253 6 1HG1 VAL 1 1HG1 VAL 1 8.977 3.248 9.208 7 2HG1 VAL 1 2HG1 VAL 1 8.353 4.046 10.665 8 3HG1 VAL 1 3HG1 VAL 1 7.226 3.424 9.462 9 1HG2 VAL 1 1HG2 VAL 1 9.600 6.960 8.875 10 2HG2 VAL 1 2HG2 VAL 1 9.704 5.943 10.306 11 3HG2 VAL 1 3HG2 VAL 1 10.401 5.370 8.781 12 H GLY 2 H GLY 2 7.707 2.920 6.170 13 1HA GLY 2 HA3 GLY 2 5.671 1.459 6.246 14 2HA GLY 2 HA2 GLY 2 4.700 2.917 6.476 15 H GLU 3 H GLU 3 7.350 3.190 4.284 16 HA GLU 3 HA GLU 3 5.552 3.712 2.031 17 1HB GLU 3 HB2 GLU 3 7.686 4.302 0.965 18 2HB GLU 3 HB1 GLU 3 7.264 5.224 2.246 19 1HG GLU 3 HG2 GLU 3 9.202 3.129 2.537 20 2HG GLU 3 HG1 GLU 3 9.652 4.620 2.046 21 H CYS 4 H CYS 4 5.620 2.615 0.014 22 HA CYS 4 HA CYS 4 5.992 -0.241 0.467 23 1HB CYS 4 HB2 CYS 4 5.289 0.927 -2.122 24 2HB CYS 4 HB1 CYS 4 4.863 -0.524 -1.503 25 H VAL 5 H VAL 5 7.295 -1.608 -0.524 26 HA VAL 5 HA VAL 5 9.851 -0.758 -1.721 27 HB VAL 5 HB VAL 5 8.681 -3.550 -1.321 28 1HG1 VAL 5 1HG1 VAL 5 11.519 -2.592 -1.948 29 2HG1 VAL 5 2HG1 VAL 5 11.048 -4.266 -1.589 30 3HG1 VAL 5 3HG1 VAL 5 10.463 -3.489 -3.062 31 1HG2 VAL 5 1HG2 VAL 5 10.656 -1.951 0.357 32 2HG2 VAL 5 2HG2 VAL 5 9.018 -2.436 0.842 33 3HG2 VAL 5 3HG2 VAL 5 10.260 -3.667 0.587 34 H ARG 6 H ARG 6 8.695 0.456 -3.359 35 HA ARG 6 HA ARG 6 7.949 0.844 -5.429 36 1HB ARG 6 HB2 ARG 6 10.092 -0.726 -5.665 37 2HB ARG 6 HB1 ARG 6 9.036 -1.636 -6.516 38 1HG ARG 6 HG2 ARG 6 8.765 0.922 -7.401 39 2HG ARG 6 HG1 ARG 6 10.366 0.599 -7.373 40 1HD ARG 6 HD2 ARG 6 9.439 0.077 -9.510 41 2HD ARG 6 HD1 ARG 6 10.026 -1.271 -8.798 42 HE ARG 6 HE ARG 6 7.650 -1.582 -7.965 43 1HH1 ARG 6 2HH2 ARG 6 8.221 -0.364 -11.212 44 2HH1 ARG 6 1HH2 ARG 6 6.525 -0.385 -11.559 45 1HH2 ARG 6 2HH1 ARG 6 5.614 -1.489 -8.391 46 2HH2 ARG 6 1HH1 ARG 6 5.047 -1.022 -9.960 47 H GLY 7 H GLY 7 6.246 -0.281 -3.767 48 1HA GLY 7 HA3 GLY 7 3.835 -0.568 -4.207 49 2HA GLY 7 HA2 GLY 7 4.227 -1.620 -5.559 50 H ARG 8 H ARG 8 6.318 -2.755 -3.188 51 HA ARG 8 HA ARG 8 4.267 -4.548 -1.987 52 1HB ARG 8 HB2 ARG 8 7.071 -5.030 -2.788 53 2HB ARG 8 HB1 ARG 8 6.164 -6.106 -1.961 54 1HG ARG 8 HG2 ARG 8 5.492 -5.206 -4.611 55 2HG ARG 8 HG1 ARG 8 6.324 -6.582 -4.327 56 1HD ARG 8 HD2 ARG 8 4.145 -7.235 -4.704 57 2HD ARG 8 HD1 ARG 8 4.376 -7.386 -3.094 58 HE ARG 8 HE ARG 8 3.214 -4.908 -4.002 59 1HH1 ARG 8 2HH2 ARG 8 2.534 -7.886 -2.202 60 2HH1 ARG 8 1HH2 ARG 8 1.362 -7.058 -1.232 61 1HH2 ARG 8 2HH1 ARG 8 1.874 -3.981 -2.629 62 2HH2 ARG 8 1HH1 ARG 8 1.006 -4.922 -1.463 63 H CYS 9 H CYS 9 5.268 -5.723 -0.009 64 HA CYS 9 HA CYS 9 6.741 -4.268 1.908 65 1HB CYS 9 HB2 CYS 9 3.980 -3.579 1.551 66 2HB CYS 9 HB1 CYS 9 4.258 -4.154 3.054 67 HA PRO 10 HA PRO 10 6.497 -8.276 3.649 68 1HB PRO 10 HB2 PRO 10 5.752 -8.047 6.238 69 2HB PRO 10 HB1 PRO 10 7.247 -7.676 5.693 70 1HG PRO 10 HG2 PRO 10 5.079 -5.840 6.233 71 2HG PRO 10 HG1 PRO 10 6.656 -5.643 6.607 72 1HD PRO 10 HD2 PRO 10 5.706 -4.486 4.488 73 2HD PRO 10 HD1 PRO 10 7.222 -5.093 4.453 74 H SER 11 H SER 11 5.174 -9.870 5.087 75 HA SER 11 HA SER 11 3.635 -11.397 4.001 76 1HB SER 11 HB2 SER 11 2.735 -10.263 6.554 77 2HB SER 11 HB1 SER 11 2.450 -11.777 6.010 78 HG SER 11 HG SER 11 4.231 -11.799 7.369 79 H GLY 12 H GLY 12 2.836 -10.200 2.194 80 1HA GLY 12 HA3 GLY 12 1.032 -9.734 0.782 81 2HA GLY 12 HA2 GLY 12 0.023 -10.519 1.998 82 H MET 13 H MET 13 1.902 -7.464 2.519 83 HA MET 13 HA MET 13 -0.628 -6.011 2.973 84 1HB MET 13 HB2 MET 13 2.165 -5.067 2.800 85 2HB MET 13 HB1 MET 13 0.892 -4.108 3.159 86 1HG MET 13 HG2 MET 13 0.460 -5.422 5.096 87 2HG MET 13 HG1 MET 13 1.753 -6.356 4.742 88 1HE MET 13 HE1 MET 13 1.273 -5.079 7.600 89 2HE MET 13 HE2 MET 13 2.656 -6.128 7.207 90 3HE MET 13 HE3 MET 13 2.927 -4.548 7.978 91 H CYS 14 H CYS 14 -1.016 -3.929 1.858 92 HA CYS 14 HA CYS 14 -0.667 -4.100 -1.106 93 1HB CYS 14 HB2 CYS 14 -2.979 -2.946 0.253 94 2HB CYS 14 HB1 CYS 14 -2.856 -3.498 -1.280 95 H CYS 15 H CYS 15 -1.131 -1.773 -2.047 96 HA CYS 15 HA CYS 15 0.482 0.175 -0.444 97 1HB CYS 15 HB2 CYS 15 1.774 -1.055 -2.120 98 2HB CYS 15 HB1 CYS 15 0.830 -0.446 -3.305 99 H SER 16 H SER 16 -0.016 2.319 -0.642 100 HA SER 16 HA SER 16 -2.774 2.842 -1.365 101 1HB SER 16 HB2 SER 16 -2.505 4.627 0.083 102 2HB SER 16 HB1 SER 16 -1.519 3.504 0.742 103 HG SER 16 HG SER 16 -0.630 5.574 0.704 104 H GLN 17 H GLN 17 -3.035 5.415 -1.799 105 HA GLN 17 HA GLN 17 -2.107 5.793 -4.524 106 1HB GLN 17 HB2 GLN 17 -3.514 7.812 -2.909 107 2HB GLN 17 HB1 GLN 17 -3.583 7.579 -4.524 108 1HG GLN 17 HG2 GLN 17 -5.649 7.026 -3.724 109 2HG GLN 17 HG1 GLN 17 -4.924 5.607 -4.083 110 1HE2 GLN 17 1HE2 GLN 17 -6.523 4.572 -2.668 111 2HE2 GLN 17 2HE2 GLN 17 -5.859 4.352 -1.026 112 1HN PFF 18 H PFF 18 -0.714 6.307 -1.498 113 HA PFF 18 HA PFF 18 0.885 8.651 -2.458 114 1HBC PFF 18 HB2 PFF 18 -0.042 7.952 0.352 115 2HBC PFF 18 HB3 PFF 18 1.049 9.275 -0.061 116 HD1 PFF 18 HD1 PFF 18 0.273 11.239 -1.332 117 HD2 PFF 18 HD2 PFF 18 -2.442 8.088 -0.208 118 HE1 PFF 18 HE1 PFF 18 -1.641 12.603 -2.133 119 HE2 PFF 18 HE2 PFF 18 -4.351 9.450 -1.041 120 H GLY 19 H GLY 19 1.195 5.484 -2.418 121 1HA GLY 19 HA3 GLY 19 3.139 4.215 -2.524 122 2HA GLY 19 HA2 GLY 19 4.071 5.650 -2.085 123 1HN PFF 20 H PFF 20 1.497 4.747 0.142 124 HA PFF 20 HA PFF 20 3.535 3.570 1.985 125 1HBC PFF 20 HB2 PFF 20 0.981 5.116 2.467 126 2HBC PFF 20 HB3 PFF 20 1.804 4.187 3.707 127 HD1 PFF 20 HD1 PFF 20 1.969 7.238 1.643 128 HD2 PFF 20 HD2 PFF 20 3.974 4.857 4.620 129 HE1 PFF 20 HE1 PFF 20 3.391 9.180 2.246 130 HE2 PFF 20 HE2 PFF 20 5.465 6.763 5.142 131 H CYS 21 H CYS 21 2.808 1.740 3.300 132 HA CYS 21 HA CYS 21 0.818 0.161 1.737 133 1HB CYS 21 HB2 CYS 21 2.229 -1.639 1.950 134 2HB CYS 21 HB1 CYS 21 3.208 -0.394 1.549 135 H GLY 22 H GLY 22 -0.353 -1.531 2.694 136 1HA GLY 22 HA3 GLY 22 -0.296 -2.314 5.400 137 2HA GLY 22 HA2 GLY 22 -1.455 -0.971 5.270 138 H LYS 23 H LYS 23 -2.703 -3.137 6.013 139 HA LYS 23 HA LYS 23 -3.857 -4.397 3.557 140 1HB LYS 23 HB2 LYS 23 -4.083 -5.170 6.407 141 2HB LYS 23 HB1 LYS 23 -4.864 -5.930 5.191 142 1HG LYS 23 HG2 LYS 23 -2.794 -6.615 4.261 143 2HG LYS 23 HG1 LYS 23 -1.985 -5.802 5.424 144 1HD LYS 23 HD2 LYS 23 -2.978 -7.232 7.080 145 2HD LYS 23 HD1 LYS 23 -3.716 -8.072 5.889 146 1HE LYS 23 HE2 LYS 23 -0.851 -7.856 6.005 147 2HE LYS 23 HE1 LYS 23 -1.639 -9.065 6.770 148 1HZ LYS 23 HZ1 LYS 23 -0.802 -9.739 4.671 149 2HZ LYS 23 HZ2 LYS 23 -2.450 -9.869 4.719 150 3HZ LYS 23 HZ3 LYS 23 -1.720 -8.625 3.917 151 H GLY 24 H GLY 24 -4.418 -1.722 5.168 152 1HA GLY 24 HA3 GLY 24 -7.274 -2.000 5.739 153 2HA GLY 24 HA2 GLY 24 -6.339 -0.503 5.861 154 HA PRO 25 HA PRO 25 -9.425 -0.971 2.154 155 1HB PRO 25 HB2 PRO 25 -10.303 1.552 3.418 156 2HB PRO 25 HB1 PRO 25 -11.192 0.474 2.572 157 1HG PRO 25 HG2 PRO 25 -11.255 0.331 5.150 158 2HG PRO 25 HG1 PRO 25 -11.175 -1.067 4.309 159 1HD PRO 25 HD2 PRO 25 -9.040 0.279 5.684 160 2HD PRO 25 HD1 PRO 25 -9.269 -1.332 5.538 161 H LYS 26 H LYS 26 -8.079 2.177 3.260 162 HA LYS 26 HA LYS 26 -7.655 3.331 0.711 163 1HB LYS 26 HB2 LYS 26 -6.537 3.769 3.395 164 2HB LYS 26 HB1 LYS 26 -5.880 4.570 2.132 165 1HG LYS 26 HG2 LYS 26 -8.719 4.689 2.416 166 2HG LYS 26 HG1 LYS 26 -7.827 5.610 3.428 167 1HD LYS 26 HD2 LYS 26 -7.408 5.750 0.574 168 2HD LYS 26 HD1 LYS 26 -8.521 6.702 1.296 169 1HE LYS 26 HE2 LYS 26 -6.943 7.827 2.506 170 2HE LYS 26 HE1 LYS 26 -5.828 6.653 2.290 171 1HZ LYS 26 HZ1 LYS 26 -6.670 8.518 0.251 172 2HZ LYS 26 HZ2 LYS 26 -5.314 8.592 1.126 173 3HZ LYS 26 HZ3 LYS 26 -5.496 7.333 0.060 174 H TYR 27 H TYR 27 -5.769 0.826 2.213 175 HA TYR 27 HA TYR 27 -3.377 1.427 0.533 176 1HB TYR 27 HB2 TYR 27 -3.850 -0.599 2.639 177 2HB TYR 27 HB1 TYR 27 -2.427 -0.333 1.883 178 HD1 TYR 27 HD1 TYR 27 -1.143 1.744 2.221 179 HD2 TYR 27 HD2 TYR 27 -4.648 0.790 4.495 180 HE1 TYR 27 HE1 TYR 27 -0.397 3.322 4.015 181 HE2 TYR 27 HE2 TYR 27 -4.000 2.521 6.192 182 HH TYR 27 HH TYR 27 -0.917 4.246 6.040 183 H CYS 28 H CYS 28 -5.824 -1.085 1.191 184 HA CYS 28 HA CYS 28 -4.765 -2.619 -1.079 185 1HB CYS 28 HB2 CYS 28 -5.254 -3.382 1.308 186 2HB CYS 28 HB1 CYS 28 -6.787 -3.579 0.780 187 H GLY 29 H GLY 29 -7.983 -1.277 -0.147 188 1HA GLY 29 HA3 GLY 29 -9.144 -2.293 -2.693 189 2HA GLY 29 HA2 GLY 29 -9.974 -1.348 -1.445 190 H ARG 30 H ARG 30 -8.280 0.684 -1.121 191 HA ARG 30 HA ARG 30 -7.522 2.684 -1.687 192 1HB ARG 30 HB2 ARG 30 -5.539 2.430 -2.708 193 2HB ARG 30 HB1 ARG 30 -5.870 0.889 -2.278 194 1HG ARG 30 HG2 ARG 30 -6.674 0.605 -4.615 195 2HG ARG 30 HG1 ARG 30 -5.872 1.993 -4.928 196 1HD ARG 30 HD2 ARG 30 -4.331 0.343 -5.377 197 2HD ARG 30 HD1 ARG 30 -3.901 0.903 -3.904 198 HE ARG 30 HE ARG 30 -5.694 -1.264 -3.622 199 1HH1 ARG 30 2HH2 ARG 30 -2.289 -0.603 -4.119 200 2HH1 ARG 30 1HH2 ARG 30 -1.866 -2.277 -3.984 201 1HH2 ARG 30 2HH1 ARG 30 -5.144 -3.359 -3.600 202 2HH2 ARG 30 1HH1 ARG 30 -3.481 -3.836 -3.690 203 1HN NH2 31 1HN NH2 31 -9.627 3.140 -5.047 204 2HN NH2 31 2HN NH2 31 -9.577 1.574 -4.245 205 H1 NAG 32 H1 NAG 32 -7.425 14.840 1.126 206 H2 NAG 32 H2 NAG 32 -6.241 12.956 -0.924 207 H3 NAG 32 H3 NAG 32 -5.850 12.893 2.104 208 H4 NAG 32 H4 NAG 32 -3.828 13.650 -0.062 209 H5 NAG 32 H5 NAG 32 -5.338 15.394 1.936 210 1H6 NAG 32 1H6 NAG 32 -4.240 17.231 0.457 211 2H6 NAG 32 2H6 NAG 32 -3.009 16.012 0.098 212 1H8 NAG 32 1H8 NAG 32 -10.078 11.058 -0.391 213 2H8 NAG 32 2H8 NAG 32 -9.477 9.464 0.111 214 3H8 NAG 32 3H8 NAG 32 -9.765 10.723 1.339 215 HN2 NAG 32 HN2 NAG 32 -8.684 12.815 0.521 216 HO1 NAG 32 HO1 NAG 32 -7.457 15.739 -1.203 217 HO3 NAG 32 HO3 NAG 32 -5.703 11.108 0.228 218 HO6 NAG 32 HO6 NAG 32 -2.397 16.062 2.208 219 H1 NAG 33 H1 NAG 33 -2.461 12.048 0.994 220 H2 NAG 33 H2 NAG 33 -1.253 13.180 3.535 221 H3 NAG 33 H3 NAG 33 -0.303 10.735 2.009 222 H4 NAG 33 H4 NAG 33 -1.736 10.712 4.710 223 H5 NAG 33 H5 NAG 33 -2.632 9.961 1.896 224 1H6 NAG 33 1H6 NAG 33 -4.241 9.864 4.472 225 2H6 NAG 33 2H6 NAG 33 -3.634 8.439 3.590 226 1H8 NAG 33 1H8 NAG 33 0.960 16.233 0.751 227 2H8 NAG 33 2H8 NAG 33 1.946 14.779 1.043 228 3H8 NAG 33 3H8 NAG 33 0.774 14.818 -0.315 229 HN2 NAG 33 HN2 NAG 33 0.458 12.797 1.159 230 HO3 NAG 33 HO3 NAG 33 0.748 10.532 4.145 231 HO6 NAG 33 HO6 NAG 33 -5.025 10.485 2.272 232 H1 NAG 34 H1 NAG 34 -1.392 8.620 5.694 233 H2 NAG 34 H2 NAG 34 0.393 6.883 3.951 234 H3 NAG 34 H3 NAG 34 -0.474 6.618 6.862 235 H4 NAG 34 H4 NAG 34 2.228 7.149 5.529 236 H5 NAG 34 H5 NAG 34 0.466 8.863 7.317 237 1H6 NAG 34 1H6 NAG 34 2.166 10.575 6.999 238 2H6 NAG 34 2H6 NAG 34 3.092 9.530 5.910 239 1H8 NAG 34 1H8 NAG 34 -3.682 5.713 1.952 240 2H8 NAG 34 2H8 NAG 34 -3.249 4.335 2.988 241 3H8 NAG 34 3H8 NAG 34 -4.010 5.784 3.713 242 HN2 NAG 34 HN2 NAG 34 -2.126 5.766 5.092 243 HO4 NAG 34 HO4 NAG 34 2.718 7.310 7.891 244 HO3 NAG 34 HO3 NAG 34 1.351 5.132 6.658 245 HO6 NAG 34 HO6 NAG 34 3.838 9.671 8.138 Start of MODEL 3 1 1H VAL 1 H1 VAL 1 7.979 6.770 6.537 2 2H VAL 1 H2 VAL 1 8.397 6.281 5.016 3 3H VAL 1 H3 VAL 1 9.550 6.878 5.998 4 HA VAL 1 HA VAL 1 9.580 4.453 5.748 5 HB VAL 1 HB VAL 1 10.707 5.417 7.597 6 1HG1 VAL 1 1HG1 VAL 1 8.923 6.798 8.640 7 2HG1 VAL 1 2HG1 VAL 1 8.144 5.316 9.240 8 3HG1 VAL 1 3HG1 VAL 1 9.757 5.761 9.798 9 1HG2 VAL 1 1HG2 VAL 1 9.074 3.044 8.586 10 2HG2 VAL 1 2HG2 VAL 1 10.463 2.948 7.477 11 3HG2 VAL 1 3HG2 VAL 1 10.681 3.546 9.131 12 H GLY 2 H GLY 2 8.276 3.040 5.103 13 1HA GLY 2 HA3 GLY 2 6.411 1.369 5.783 14 2HA GLY 2 HA2 GLY 2 5.479 2.798 6.225 15 H GLU 3 H GLU 3 7.533 3.106 3.430 16 HA GLU 3 HA GLU 3 5.207 3.162 1.607 17 1HB GLU 3 HB2 GLU 3 6.760 4.461 0.263 18 2HB GLU 3 HB1 GLU 3 6.418 5.173 1.693 19 1HG GLU 3 HG2 GLU 3 8.890 3.774 1.256 20 2HG GLU 3 HG1 GLU 3 8.737 5.372 0.954 21 H CYS 4 H CYS 4 5.248 1.972 -0.334 22 HA CYS 4 HA CYS 4 6.398 -0.560 0.065 23 1HB CYS 4 HB2 CYS 4 5.209 0.617 -2.350 24 2HB CYS 4 HB1 CYS 4 5.687 -0.943 -2.275 25 H VAL 5 H VAL 5 7.672 -1.789 -1.171 26 HA VAL 5 HA VAL 5 10.332 -0.670 -1.764 27 HB VAL 5 HB VAL 5 9.397 -3.569 -1.738 28 1HG1 VAL 5 1HG1 VAL 5 12.163 -2.292 -1.397 29 2HG1 VAL 5 2HG1 VAL 5 11.800 -4.024 -1.300 30 3HG1 VAL 5 3HG1 VAL 5 11.632 -3.179 -2.839 31 1HG2 VAL 5 1HG2 VAL 5 8.940 -2.621 0.466 32 2HG2 VAL 5 2HG2 VAL 5 10.382 -3.632 0.555 33 3HG2 VAL 5 3HG2 VAL 5 10.547 -1.864 0.509 34 H ARG 6 H ARG 6 8.896 0.398 -3.515 35 HA ARG 6 HA ARG 6 8.418 0.763 -5.745 36 1HB ARG 6 HB2 ARG 6 10.226 -1.445 -6.460 37 2HB ARG 6 HB1 ARG 6 9.777 -0.175 -7.386 38 1HG ARG 6 HG2 ARG 6 11.570 -0.061 -5.140 39 2HG ARG 6 HG1 ARG 6 11.996 0.113 -6.707 40 1HD ARG 6 HD2 ARG 6 11.761 2.270 -6.531 41 2HD ARG 6 HD1 ARG 6 10.186 2.073 -6.146 42 HE ARG 6 HE ARG 6 12.365 2.248 -4.233 43 1HH1 ARG 6 2HH2 ARG 6 8.943 2.776 -4.774 44 2HH1 ARG 6 1HH2 ARG 6 8.579 2.712 -3.082 45 1HH2 ARG 6 2HH1 ARG 6 11.729 1.876 -2.067 46 2HH2 ARG 6 1HH1 ARG 6 10.095 2.222 -1.609 47 H GLY 7 H GLY 7 6.556 -0.180 -4.518 48 1HA GLY 7 HA3 GLY 7 4.420 -0.912 -5.182 49 2HA GLY 7 HA2 GLY 7 5.142 -1.817 -6.504 50 H ARG 8 H ARG 8 6.814 -2.912 -3.791 51 HA ARG 8 HA ARG 8 4.752 -4.970 -3.116 52 1HB ARG 8 HB2 ARG 8 7.679 -5.140 -3.506 53 2HB ARG 8 HB1 ARG 8 6.880 -6.255 -2.620 54 1HG ARG 8 HG2 ARG 8 7.119 -7.179 -4.697 55 2HG ARG 8 HG1 ARG 8 5.551 -6.734 -4.592 56 1HD ARG 8 HD2 ARG 8 6.588 -6.268 -6.737 57 2HD ARG 8 HD1 ARG 8 5.861 -4.978 -6.046 58 HE ARG 8 HE ARG 8 7.823 -3.852 -6.138 59 1HH1 ARG 8 2HH2 ARG 8 8.561 -7.239 -6.562 60 2HH1 ARG 8 1HH2 ARG 8 10.268 -6.969 -6.441 61 1HH2 ARG 8 2HH1 ARG 8 10.000 -3.612 -5.690 62 2HH2 ARG 8 1HH1 ARG 8 11.068 -4.949 -5.956 63 H CYS 9 H CYS 9 5.026 -5.822 -0.829 64 HA CYS 9 HA CYS 9 6.788 -4.480 0.976 65 1HB CYS 9 HB2 CYS 9 4.412 -3.191 0.556 66 2HB CYS 9 HB1 CYS 9 4.152 -4.004 1.948 67 HA PRO 10 HA PRO 10 6.093 -8.329 2.910 68 1HB PRO 10 HB2 PRO 10 6.659 -7.944 5.454 69 2HB PRO 10 HB1 PRO 10 7.792 -7.608 4.327 70 1HG PRO 10 HG2 PRO 10 6.075 -5.720 5.694 71 2HG PRO 10 HG1 PRO 10 7.673 -5.561 5.398 72 1HD PRO 10 HD2 PRO 10 5.851 -4.454 3.828 73 2HD PRO 10 HD1 PRO 10 7.329 -4.870 3.271 74 H SER 11 H SER 11 5.091 -9.474 4.944 75 HA SER 11 HA SER 11 3.159 -10.324 5.821 76 1HB SER 11 HB2 SER 11 3.806 -8.525 7.348 77 2HB SER 11 HB1 SER 11 2.831 -7.472 6.569 78 HG SER 11 HG SER 11 1.089 -8.862 7.043 79 H GLY 12 H GLY 12 2.873 -9.655 3.211 80 1HA GLY 12 HA3 GLY 12 1.370 -9.307 1.436 81 2HA GLY 12 HA2 GLY 12 0.164 -10.035 2.504 82 H MET 13 H MET 13 1.896 -6.902 3.035 83 HA MET 13 HA MET 13 -0.704 -5.529 3.246 84 1HB MET 13 HB2 MET 13 2.053 -4.460 3.290 85 2HB MET 13 HB1 MET 13 0.704 -3.607 3.636 86 1HG MET 13 HG2 MET 13 1.679 -5.833 5.173 87 2HG MET 13 HG1 MET 13 1.807 -4.267 5.620 88 1HE MET 13 HE1 MET 13 0.863 -6.351 7.665 89 2HE MET 13 HE2 MET 13 0.925 -4.609 8.023 90 3HE MET 13 HE3 MET 13 -0.550 -5.537 8.374 91 H CYS 14 H CYS 14 -1.080 -3.515 2.009 92 HA CYS 14 HA CYS 14 -0.420 -3.888 -0.885 93 1HB CYS 14 HB2 CYS 14 -2.819 -2.617 0.256 94 2HB CYS 14 HB1 CYS 14 -2.593 -3.145 -1.273 95 H CYS 15 H CYS 15 -0.171 -1.949 -2.133 96 HA CYS 15 HA CYS 15 0.968 0.298 -0.666 97 1HB CYS 15 HB2 CYS 15 0.762 -0.234 -3.564 98 2HB CYS 15 HB1 CYS 15 1.727 0.876 -2.854 99 H SER 16 H SER 16 -0.100 2.134 -0.223 100 HA SER 16 HA SER 16 -2.810 2.590 -1.117 101 1HB SER 16 HB2 SER 16 -2.725 4.264 0.499 102 2HB SER 16 HB1 SER 16 -1.742 3.111 1.111 103 HG SER 16 HG SER 16 -0.870 5.105 1.345 104 H GLN 17 H GLN 17 -3.297 5.146 -1.440 105 HA GLN 17 HA GLN 17 -1.959 5.972 -3.856 106 1HB GLN 17 HB2 GLN 17 -3.514 7.732 -3.826 107 2HB GLN 17 HB1 GLN 17 -4.304 6.348 -3.465 108 1HG GLN 17 HG2 GLN 17 -4.291 6.952 -1.161 109 2HG GLN 17 HG1 GLN 17 -3.526 8.345 -1.537 110 1HE2 GLN 17 1HE2 GLN 17 -4.690 9.897 -3.097 111 2HE2 GLN 17 2HE2 GLN 17 -6.449 9.869 -2.937 112 1HN PFF 18 H PFF 18 -0.945 6.167 -0.679 113 HA PFF 18 HA PFF 18 0.888 8.428 -1.385 114 1HBC PFF 18 HB2 PFF 18 -0.074 7.321 1.259 115 2HBC PFF 18 HB3 PFF 18 1.595 7.800 1.137 116 HD1 PFF 18 HD1 PFF 18 1.744 9.703 2.482 117 HD2 PFF 18 HD2 PFF 18 -1.228 9.513 -0.640 118 HE1 PFF 18 HE1 PFF 18 1.517 12.173 2.532 119 HE2 PFF 18 HE2 PFF 18 -1.413 11.974 -0.612 120 H GLY 19 H GLY 19 0.623 5.293 -2.175 121 1HA GLY 19 HA3 GLY 19 2.137 3.642 -2.665 122 2HA GLY 19 HA2 GLY 19 3.461 4.759 -2.290 123 1HN PFF 20 H PFF 20 1.018 4.311 0.193 124 HA PFF 20 HA PFF 20 3.210 3.307 1.906 125 1HBC PFF 20 HB2 PFF 20 1.030 5.184 2.181 126 2HBC PFF 20 HB3 PFF 20 0.876 3.938 3.402 127 HD1 PFF 20 HD1 PFF 20 2.353 3.909 5.258 128 HD2 PFF 20 HD2 PFF 20 3.285 6.358 1.861 129 HE1 PFF 20 HE1 PFF 20 4.251 4.938 6.522 130 HE2 PFF 20 HE2 PFF 20 5.131 7.427 3.124 131 H CYS 21 H CYS 21 2.975 1.593 3.387 132 HA CYS 21 HA CYS 21 1.558 -0.623 2.106 133 1HB CYS 21 HB2 CYS 21 3.565 -0.595 4.261 134 2HB CYS 21 HB1 CYS 21 3.048 -1.918 3.455 135 H GLY 22 H GLY 22 -0.541 -1.139 2.801 136 1HA GLY 22 HA3 GLY 22 -0.588 -2.165 5.532 137 2HA GLY 22 HA2 GLY 22 -1.660 -0.782 5.337 138 H LYS 23 H LYS 23 -2.974 -2.845 6.074 139 HA LYS 23 HA LYS 23 -4.173 -4.171 3.667 140 1HB LYS 23 HB2 LYS 23 -4.000 -4.881 6.504 141 2HB LYS 23 HB1 LYS 23 -5.357 -5.324 5.710 142 1HG LYS 23 HG2 LYS 23 -4.176 -6.663 4.245 143 2HG LYS 23 HG1 LYS 23 -2.749 -5.999 4.681 144 1HD LYS 23 HD2 LYS 23 -2.696 -7.130 6.661 145 2HD LYS 23 HD1 LYS 23 -4.300 -7.434 6.623 146 1HE LYS 23 HE2 LYS 23 -3.119 -9.429 6.211 147 2HE LYS 23 HE1 LYS 23 -3.955 -9.008 4.872 148 1HZ LYS 23 HZ1 LYS 23 -1.963 -8.164 3.885 149 2HZ LYS 23 HZ2 LYS 23 -1.111 -8.592 5.225 150 3HZ LYS 23 HZ3 LYS 23 -1.796 -9.728 4.290 151 H GLY 24 H GLY 24 -6.622 -4.358 3.866 152 1HA GLY 24 HA3 GLY 24 -8.714 -3.412 4.187 153 2HA GLY 24 HA2 GLY 24 -8.011 -2.289 5.361 154 HA PRO 25 HA PRO 25 -9.907 -0.526 1.480 155 1HB PRO 25 HB2 PRO 25 -10.518 1.595 3.445 156 2HB PRO 25 HB1 PRO 25 -11.416 1.088 2.178 157 1HG PRO 25 HG2 PRO 25 -11.972 0.116 4.503 158 2HG PRO 25 HG1 PRO 25 -11.969 -0.911 3.233 159 1HD PRO 25 HD2 PRO 25 -9.919 -0.575 5.221 160 2HD PRO 25 HD1 PRO 25 -10.392 -1.966 4.508 161 H LYS 26 H LYS 26 -8.450 2.121 3.511 162 HA LYS 26 HA LYS 26 -7.743 3.583 1.238 163 1HB LYS 26 HB2 LYS 26 -6.725 3.668 4.013 164 2HB LYS 26 HB1 LYS 26 -6.268 4.767 2.895 165 1HG LYS 26 HG2 LYS 26 -9.060 4.511 3.173 166 2HG LYS 26 HG1 LYS 26 -8.311 5.122 4.490 167 1HD LYS 26 HD2 LYS 26 -8.983 6.898 3.059 168 2HD LYS 26 HD1 LYS 26 -7.353 6.846 3.140 169 1HE LYS 26 HE2 LYS 26 -7.445 5.505 1.069 170 2HE LYS 26 HE1 LYS 26 -9.004 5.976 0.953 171 1HZ LYS 26 HZ1 LYS 26 -6.734 7.739 0.923 172 2HZ LYS 26 HZ2 LYS 26 -7.621 7.362 -0.374 173 3HZ LYS 26 HZ3 LYS 26 -8.291 8.263 0.827 174 H TYR 27 H TYR 27 -5.872 1.038 2.748 175 HA TYR 27 HA TYR 27 -3.425 1.794 1.266 176 1HB TYR 27 HB2 TYR 27 -4.078 -0.509 2.987 177 2HB TYR 27 HB1 TYR 27 -2.620 -0.265 2.292 178 HD1 TYR 27 HD1 TYR 27 -1.268 1.778 2.867 179 HD2 TYR 27 HD2 TYR 27 -4.637 0.419 5.152 180 HE1 TYR 27 HE1 TYR 27 -0.358 2.930 4.899 181 HE2 TYR 27 HE2 TYR 27 -3.806 1.724 7.120 182 HH TYR 27 HH TYR 27 -0.866 3.753 6.944 183 H CYS 28 H CYS 28 -5.895 -0.819 1.250 184 HA CYS 28 HA CYS 28 -4.453 -2.010 -1.005 185 1HB CYS 28 HB2 CYS 28 -5.324 -3.084 1.132 186 2HB CYS 28 HB1 CYS 28 -6.755 -3.179 0.350 187 H GLY 29 H GLY 29 -7.650 -0.554 -0.459 188 1HA GLY 29 HA3 GLY 29 -8.297 -0.956 -3.369 189 2HA GLY 29 HA2 GLY 29 -9.450 -0.571 -2.096 190 H ARG 30 H ARG 30 -7.629 1.454 -0.929 191 HA ARG 30 HA ARG 30 -7.067 3.631 -0.949 192 1HB ARG 30 HB2 ARG 30 -7.005 3.378 -3.891 193 2HB ARG 30 HB1 ARG 30 -6.539 4.720 -3.085 194 1HG ARG 30 HG2 ARG 30 -4.729 3.705 -2.188 195 2HG ARG 30 HG1 ARG 30 -5.378 2.214 -2.341 196 1HD ARG 30 HD2 ARG 30 -5.102 2.897 -4.864 197 2HD ARG 30 HD1 ARG 30 -3.803 3.631 -4.199 198 HE ARG 30 HE ARG 30 -2.803 1.586 -3.719 199 1HH1 ARG 30 2HH2 ARG 30 -6.133 1.016 -4.761 200 2HH1 ARG 30 1HH2 ARG 30 -6.024 -0.660 -4.335 201 1HH2 ARG 30 2HH1 ARG 30 -2.857 -0.469 -3.046 202 2HH2 ARG 30 1HH1 ARG 30 -4.226 -1.472 -3.390 203 1HN NH2 31 1HN NH2 31 -10.605 4.407 -2.899 204 2HN NH2 31 2HN NH2 31 -9.557 3.111 -3.489 205 H1 NAG 32 H1 NAG 32 -7.931 14.432 1.114 206 H2 NAG 32 H2 NAG 32 -6.954 12.554 -1.062 207 H3 NAG 32 H3 NAG 32 -6.926 12.075 1.934 208 H4 NAG 32 H4 NAG 32 -4.450 12.681 0.289 209 H5 NAG 32 H5 NAG 32 -5.796 14.791 1.995 210 1H6 NAG 32 1H6 NAG 32 -4.257 16.289 0.757 211 2H6 NAG 32 2H6 NAG 32 -3.568 14.902 -0.091 212 1H8 NAG 32 1H8 NAG 32 -11.207 11.534 0.911 213 2H8 NAG 32 2H8 NAG 32 -11.092 11.045 -0.806 214 3H8 NAG 32 3H8 NAG 32 -11.031 9.818 0.480 215 HN2 NAG 32 HN2 NAG 32 -9.493 12.811 -0.332 216 HO1 NAG 32 HO1 NAG 32 -7.760 15.527 -1.125 217 HO3 NAG 32 HO3 NAG 32 -6.933 10.377 0.380 218 HO6 NAG 32 HO6 NAG 32 -2.342 15.696 1.678 219 H1 NAG 33 H1 NAG 33 -2.850 11.720 1.636 220 H2 NAG 33 H2 NAG 33 -3.534 11.924 4.568 221 H3 NAG 33 H3 NAG 33 -1.000 10.681 3.455 222 H4 NAG 33 H4 NAG 33 -3.330 9.165 4.645 223 H5 NAG 33 H5 NAG 33 -2.673 9.391 1.681 224 1H6 NAG 33 1H6 NAG 33 -4.895 7.984 3.228 225 2H6 NAG 33 2H6 NAG 33 -3.714 7.233 2.127 226 1H8 NAG 33 1H8 NAG 33 -1.386 15.641 4.319 227 2H8 NAG 33 2H8 NAG 33 0.311 15.223 4.663 228 3H8 NAG 33 3H8 NAG 33 -0.278 15.167 2.988 229 HN2 NAG 33 HN2 NAG 33 -2.544 13.916 3.159 230 HO3 NAG 33 HO3 NAG 33 -0.901 11.424 5.527 231 HO6 NAG 33 HO6 NAG 33 -5.231 9.399 1.220 232 H1 NAG 34 H1 NAG 34 -1.601 8.229 5.868 233 H2 NAG 34 H2 NAG 34 0.063 6.176 4.359 234 H3 NAG 34 H3 NAG 34 -0.640 6.634 7.296 235 H4 NAG 34 H4 NAG 34 1.943 6.841 5.678 236 H5 NAG 34 H5 NAG 34 0.317 8.995 7.036 237 1H6 NAG 34 1H6 NAG 34 1.966 10.505 6.066 238 2H6 NAG 34 2H6 NAG 34 2.793 9.162 5.257 239 1H8 NAG 34 1H8 NAG 34 -3.960 4.320 2.902 240 2H8 NAG 34 2H8 NAG 34 -3.832 3.849 4.614 241 3H8 NAG 34 3H8 NAG 34 -4.430 5.478 4.190 242 HN2 NAG 34 HN2 NAG 34 -2.447 5.458 5.875 243 HO4 NAG 34 HO4 NAG 34 2.599 7.649 7.850 244 HO3 NAG 34 HO3 NAG 34 1.191 5.169 7.362 245 HO6 NAG 34 HO6 NAG 34 3.752 9.928 7.258 Start of MODEL 4 1 1H VAL 1 H1 VAL 1 11.633 5.338 5.545 2 2H VAL 1 H2 VAL 1 10.188 6.140 5.726 3 3H VAL 1 H3 VAL 1 10.510 5.305 4.364 4 HA VAL 1 HA VAL 1 10.372 3.224 5.440 5 HB VAL 1 HB VAL 1 9.839 3.082 7.850 6 1HG1 VAL 1 1HG1 VAL 1 12.159 2.808 6.986 7 2HG1 VAL 1 2HG1 VAL 1 12.475 4.527 7.322 8 3HG1 VAL 1 3HG1 VAL 1 12.092 3.419 8.644 9 1HG2 VAL 1 1HG2 VAL 1 10.239 4.965 9.341 10 2HG2 VAL 1 2HG2 VAL 1 10.593 6.047 7.990 11 3HG2 VAL 1 3HG2 VAL 1 8.952 5.397 8.212 12 H GLY 2 H GLY 2 8.230 2.210 6.205 13 1HA GLY 2 HA3 GLY 2 5.926 2.094 6.183 14 2HA GLY 2 HA2 GLY 2 5.848 3.852 6.314 15 H GLU 3 H GLU 3 7.257 4.509 3.949 16 HA GLU 3 HA GLU 3 5.740 4.344 1.684 17 1HB GLU 3 HB2 GLU 3 7.835 4.664 0.556 18 2HB GLU 3 HB1 GLU 3 7.857 5.515 1.949 19 1HG GLU 3 HG2 GLU 3 9.102 3.643 2.937 20 2HG GLU 3 HG1 GLU 3 9.261 3.052 1.423 21 H CYS 4 H CYS 4 5.673 2.972 -0.193 22 HA CYS 4 HA CYS 4 5.906 0.155 0.463 23 1HB CYS 4 HB2 CYS 4 5.342 1.269 -2.204 24 2HB CYS 4 HB1 CYS 4 4.889 -0.187 -1.617 25 H VAL 5 H VAL 5 6.961 -1.500 -0.836 26 HA VAL 5 HA VAL 5 9.733 -0.765 -1.542 27 HB VAL 5 HB VAL 5 8.411 -3.506 -1.460 28 1HG1 VAL 5 1HG1 VAL 5 10.759 -4.288 -1.295 29 2HG1 VAL 5 2HG1 VAL 5 10.523 -3.395 -2.798 30 3HG1 VAL 5 3HG1 VAL 5 11.339 -2.616 -1.426 31 1HG2 VAL 5 1HG2 VAL 5 10.032 -2.047 0.664 32 2HG2 VAL 5 2HG2 VAL 5 8.328 -2.531 0.790 33 3HG2 VAL 5 3HG2 VAL 5 9.588 -3.767 0.713 34 H ARG 6 H ARG 6 8.308 0.545 -3.089 35 HA ARG 6 HA ARG 6 7.811 1.134 -5.255 36 1HB ARG 6 HB2 ARG 6 10.273 -0.465 -5.477 37 2HB ARG 6 HB1 ARG 6 9.648 0.300 -6.778 38 1HG ARG 6 HG2 ARG 6 11.399 1.544 -5.615 39 2HG ARG 6 HG1 ARG 6 10.014 2.378 -5.848 40 1HD ARG 6 HD2 ARG 6 9.402 2.091 -3.616 41 2HD ARG 6 HD1 ARG 6 10.668 1.092 -3.358 42 HE ARG 6 HE ARG 6 11.864 3.420 -4.050 43 1HH1 ARG 6 2HH1 ARG 6 9.581 2.452 -1.544 44 2HH1 ARG 6 1HH1 ARG 6 10.161 3.648 -0.433 45 1HH2 ARG 6 2HH2 ARG 6 12.532 4.966 -2.435 46 2HH2 ARG 6 1HH2 ARG 6 11.722 4.979 -0.904 47 H GLY 7 H GLY 7 6.291 -0.741 -4.312 48 1HA GLY 7 HA3 GLY 7 4.356 -1.459 -5.896 49 2HA GLY 7 HA2 GLY 7 5.554 -2.521 -6.631 50 H ARG 8 H ARG 8 6.592 -2.997 -3.584 51 HA ARG 8 HA ARG 8 4.305 -4.722 -2.751 52 1HB ARG 8 HB2 ARG 8 7.008 -5.491 -3.543 53 2HB ARG 8 HB1 ARG 8 6.416 -6.237 -2.217 54 1HG ARG 8 HG2 ARG 8 5.368 -6.368 -4.883 55 2HG ARG 8 HG1 ARG 8 5.928 -7.613 -3.987 56 1HD ARG 8 HD2 ARG 8 3.392 -6.301 -3.743 57 2HD ARG 8 HD1 ARG 8 3.664 -7.888 -4.015 58 HE ARG 8 HE ARG 8 4.594 -7.853 -1.605 59 1HH1 ARG 8 2HH2 ARG 8 1.641 -6.344 -2.803 60 2HH1 ARG 8 1HH2 ARG 8 0.892 -6.398 -1.242 61 1HH2 ARG 8 2HH1 ARG 8 3.552 -7.716 0.414 62 2HH2 ARG 8 1HH1 ARG 8 1.921 -7.137 0.489 63 H CYS 9 H CYS 9 5.066 -5.868 -0.617 64 HA CYS 9 HA CYS 9 6.692 -4.507 1.240 65 1HB CYS 9 HB2 CYS 9 3.912 -3.766 1.011 66 2HB CYS 9 HB1 CYS 9 4.333 -4.219 2.522 67 HA PRO 10 HA PRO 10 6.386 -8.375 3.300 68 1HB PRO 10 HB2 PRO 10 5.090 -7.183 5.662 69 2HB PRO 10 HB1 PRO 10 6.382 -8.180 5.594 70 1HG PRO 10 HG2 PRO 10 6.835 -5.664 5.904 71 2HG PRO 10 HG1 PRO 10 7.788 -6.479 4.857 72 1HD PRO 10 HD2 PRO 10 5.504 -4.827 4.224 73 2HD PRO 10 HD1 PRO 10 6.935 -4.875 3.438 74 H SER 11 H SER 11 5.000 -9.853 4.819 75 HA SER 11 HA SER 11 3.257 -11.323 3.645 76 1HB SER 11 HB2 SER 11 2.906 -10.594 6.475 77 2HB SER 11 HB1 SER 11 2.673 -12.054 5.779 78 HG SER 11 HG SER 11 4.671 -12.038 6.783 79 H GLY 12 H GLY 12 1.752 -10.513 2.270 80 1HA GLY 12 HA3 GLY 12 -0.358 -9.828 1.588 81 2HA GLY 12 HA2 GLY 12 -0.895 -10.228 3.221 82 H MET 13 H MET 13 1.563 -7.707 2.738 83 HA MET 13 HA MET 13 -0.370 -5.607 3.571 84 1HB MET 13 HB2 MET 13 2.470 -5.398 2.759 85 2HB MET 13 HB1 MET 13 1.581 -4.220 3.458 86 1HG MET 13 HG2 MET 13 2.170 -6.700 4.783 87 2HG MET 13 HG1 MET 13 3.099 -5.369 4.965 88 1HE MET 13 HE1 MET 13 2.775 -3.447 6.544 89 2HE MET 13 HE2 MET 13 1.529 -2.895 5.402 90 3HE MET 13 HE3 MET 13 1.179 -2.956 7.144 91 H CYS 14 H CYS 14 -0.540 -3.628 2.251 92 HA CYS 14 HA CYS 14 -0.170 -4.012 -0.684 93 1HB CYS 14 HB2 CYS 14 -2.662 -2.931 0.404 94 2HB CYS 14 HB1 CYS 14 -2.377 -3.559 -1.077 95 H CYS 15 H CYS 15 -0.545 -1.885 -1.852 96 HA CYS 15 HA CYS 15 0.783 0.283 -0.293 97 1HB CYS 15 HB2 CYS 15 1.984 -0.865 -2.092 98 2HB CYS 15 HB1 CYS 15 0.875 -0.357 -3.179 99 H SER 16 H SER 16 -0.036 2.385 -0.327 100 HA SER 16 HA SER 16 -2.789 2.699 -1.303 101 1HB SER 16 HB2 SER 16 -2.801 4.528 0.149 102 2HB SER 16 HB1 SER 16 -1.911 3.415 0.947 103 HG SER 16 HG SER 16 -0.924 5.363 1.122 104 H GLN 17 H GLN 17 -3.421 4.997 -2.105 105 HA GLN 17 HA GLN 17 -1.959 5.674 -4.460 106 1HB GLN 17 HB2 GLN 17 -3.755 7.456 -2.910 107 2HB GLN 17 HB1 GLN 17 -3.394 7.579 -4.499 108 1HG GLN 17 HG2 GLN 17 -5.389 6.700 -4.731 109 2HG GLN 17 HG1 GLN 17 -4.575 5.298 -4.534 110 1HE2 GLN 17 1HE2 GLN 17 -7.405 6.469 -3.731 111 2HE2 GLN 17 2HE2 GLN 17 -7.532 5.692 -2.154 112 1HN PFF 18 H PFF 18 -1.215 6.299 -1.171 113 HA PFF 18 HA PFF 18 0.264 8.797 -1.820 114 1HBC PFF 18 HB2 PFF 18 -0.320 7.563 0.887 115 2HBC PFF 18 HB3 PFF 18 0.253 9.194 0.539 116 HD1 PFF 18 HD1 PFF 18 -1.284 10.724 -0.877 117 HD2 PFF 18 HD2 PFF 18 -2.675 7.041 0.858 118 HE1 PFF 18 HE1 PFF 18 -3.637 11.408 -1.297 119 HE2 PFF 18 HE2 PFF 18 -5.010 7.692 0.378 120 H GLY 19 H GLY 19 0.834 5.569 -2.114 121 1HA GLY 19 HA3 GLY 19 2.857 4.513 -2.451 122 2HA GLY 19 HA2 GLY 19 3.701 6.002 -2.009 123 1HN PFF 20 H PFF 20 1.400 4.811 0.345 124 HA PFF 20 HA PFF 20 3.643 3.790 2.046 125 1HBC PFF 20 HB2 PFF 20 1.010 5.167 2.631 126 2HBC PFF 20 HB3 PFF 20 1.826 4.195 3.842 127 HD1 PFF 20 HD1 PFF 20 1.996 7.350 1.943 128 HD2 PFF 20 HD2 PFF 20 3.926 4.831 4.845 129 HE1 PFF 20 HE1 PFF 20 3.471 9.235 2.598 130 HE2 PFF 20 HE2 PFF 20 5.500 6.675 5.405 131 H CYS 21 H CYS 21 3.229 1.933 3.357 132 HA CYS 21 HA CYS 21 1.334 0.068 2.039 133 1HB CYS 21 HB2 CYS 21 3.728 -0.314 3.678 134 2HB CYS 21 HB1 CYS 21 2.693 -1.548 3.409 135 H GLY 22 H GLY 22 -0.176 -1.206 3.077 136 1HA GLY 22 HA3 GLY 22 -0.253 -1.521 5.943 137 2HA GLY 22 HA2 GLY 22 -1.469 -0.362 5.408 138 H LYS 23 H LYS 23 -3.022 -1.937 6.170 139 HA LYS 23 HA LYS 23 -3.743 -3.910 4.060 140 1HB LYS 23 HB2 LYS 23 -4.092 -4.281 6.990 141 2HB LYS 23 HB1 LYS 23 -4.757 -5.245 5.851 142 1HG LYS 23 HG2 LYS 23 -2.593 -5.912 5.133 143 2HG LYS 23 HG1 LYS 23 -1.910 -4.919 6.235 144 1HD LYS 23 HD2 LYS 23 -2.924 -6.223 7.988 145 2HD LYS 23 HD1 LYS 23 -3.505 -7.248 6.857 146 1HE LYS 23 HE2 LYS 23 -0.680 -6.773 7.166 147 2HE LYS 23 HE1 LYS 23 -1.438 -7.988 7.952 148 1HZ LYS 23 HZ1 LYS 23 -1.945 -9.047 5.961 149 2HZ LYS 23 HZ2 LYS 23 -1.438 -7.765 5.084 150 3HZ LYS 23 HZ3 LYS 23 -0.342 -8.679 5.895 151 H GLY 24 H GLY 24 -6.235 -4.275 4.233 152 1HA GLY 24 HA3 GLY 24 -8.384 -3.385 4.344 153 2HA GLY 24 HA2 GLY 24 -7.785 -2.146 5.457 154 HA PRO 25 HA PRO 25 -9.626 -0.700 1.450 155 1HB PRO 25 HB2 PRO 25 -10.073 1.636 3.203 156 2HB PRO 25 HB1 PRO 25 -11.022 1.070 2.000 157 1HG PRO 25 HG2 PRO 25 -11.580 0.327 4.406 158 2HG PRO 25 HG1 PRO 25 -11.645 -0.806 3.232 159 1HD PRO 25 HD2 PRO 25 -9.556 -0.402 5.164 160 2HD PRO 25 HD1 PRO 25 -10.092 -1.822 4.563 161 H LYS 26 H LYS 26 -8.083 2.216 2.981 162 HA LYS 26 HA LYS 26 -7.346 3.165 0.438 163 1HB LYS 26 HB2 LYS 26 -6.368 3.954 3.110 164 2HB LYS 26 HB1 LYS 26 -6.081 4.803 1.744 165 1HG LYS 26 HG2 LYS 26 -8.456 5.053 1.445 166 2HG LYS 26 HG1 LYS 26 -8.691 4.290 2.870 167 1HD LYS 26 HD2 LYS 26 -8.873 6.549 3.322 168 2HD LYS 26 HD1 LYS 26 -7.431 6.085 3.930 169 1HE LYS 26 HE2 LYS 26 -6.309 7.012 2.076 170 2HE LYS 26 HE1 LYS 26 -7.733 7.385 1.369 171 1HZ LYS 26 HZ1 LYS 26 -6.738 8.563 3.815 172 2HZ LYS 26 HZ2 LYS 26 -6.878 9.367 2.415 173 3HZ LYS 26 HZ3 LYS 26 -8.216 8.905 3.125 174 H TYR 27 H TYR 27 -5.575 0.907 2.396 175 HA TYR 27 HA TYR 27 -3.063 1.392 0.878 176 1HB TYR 27 HB2 TYR 27 -3.774 -0.613 2.924 177 2HB TYR 27 HB1 TYR 27 -2.294 -0.447 2.253 178 HD1 TYR 27 HD1 TYR 27 -1.037 1.760 2.501 179 HD2 TYR 27 HD2 TYR 27 -4.455 0.643 4.863 180 HE1 TYR 27 HE1 TYR 27 -0.263 3.263 4.339 181 HE2 TYR 27 HE2 TYR 27 -3.728 2.239 6.644 182 HH TYR 27 HH TYR 27 -0.684 4.049 6.433 183 H CYS 28 H CYS 28 -5.599 -1.135 1.223 184 HA CYS 28 HA CYS 28 -4.249 -2.619 -0.920 185 1HB CYS 28 HB2 CYS 28 -5.087 -3.422 1.360 186 2HB CYS 28 HB1 CYS 28 -6.516 -3.611 0.593 187 H GLY 29 H GLY 29 -7.495 -1.227 -0.405 188 1HA GLY 29 HA3 GLY 29 -8.198 -1.940 -3.230 189 2HA GLY 29 HA2 GLY 29 -9.318 -1.417 -1.976 190 H ARG 30 H ARG 30 -7.226 0.727 -1.251 191 HA ARG 30 HA ARG 30 -6.662 2.885 -1.663 192 1HB ARG 30 HB2 ARG 30 -6.869 1.990 -4.452 193 2HB ARG 30 HB1 ARG 30 -6.602 3.566 -4.117 194 1HG ARG 30 HG2 ARG 30 -4.619 3.132 -3.080 195 2HG ARG 30 HG1 ARG 30 -5.001 1.565 -2.827 196 1HD ARG 30 HD2 ARG 30 -4.888 1.727 -5.483 197 2HD ARG 30 HD1 ARG 30 -3.649 2.676 -5.002 198 HE ARG 30 HE ARG 30 -2.564 0.879 -3.969 199 1HH1 ARG 30 2HH2 ARG 30 -5.592 -0.258 -5.369 200 2HH1 ARG 30 1HH2 ARG 30 -5.491 -1.742 -4.481 201 1HH2 ARG 30 2HH1 ARG 30 -2.672 -0.890 -2.734 202 2HH2 ARG 30 1HH1 ARG 30 -3.888 -2.086 -3.032 203 1HN NH2 31 1HN NH2 31 -9.498 2.156 -3.764 204 2HN NH2 31 2HN NH2 31 -10.422 3.542 -3.174 205 H1 NAG 32 H1 NAG 32 -8.496 14.652 1.697 206 H2 NAG 32 H2 NAG 32 -8.067 11.745 0.939 207 H3 NAG 32 H3 NAG 32 -7.010 13.066 3.464 208 H4 NAG 32 H4 NAG 32 -5.505 12.237 0.947 209 H5 NAG 32 H5 NAG 32 -6.190 14.972 2.075 210 1H6 NAG 32 1H6 NAG 32 -3.965 15.206 1.364 211 2H6 NAG 32 2H6 NAG 32 -4.919 15.725 -0.029 212 1H8 NAG 32 1H8 NAG 32 -11.057 11.720 4.528 213 2H8 NAG 32 2H8 NAG 32 -11.949 11.740 2.974 214 3H8 NAG 32 3H8 NAG 32 -11.559 10.194 3.762 215 HN2 NAG 32 HN2 NAG 32 -9.936 13.103 2.774 216 HO1 NAG 32 HO1 NAG 32 -8.745 14.312 -0.730 217 HO3 NAG 32 HO3 NAG 32 -5.869 11.163 3.564 218 HO6 NAG 32 HO6 NAG 32 -4.459 13.790 -1.017 219 H1 NAG 33 H1 NAG 33 -3.830 11.158 1.826 220 H2 NAG 33 H2 NAG 33 -2.169 12.916 3.621 221 H3 NAG 33 H3 NAG 33 -1.210 10.407 2.235 222 H4 NAG 33 H4 NAG 33 -1.845 10.529 5.189 223 H5 NAG 33 H5 NAG 33 -3.619 9.232 3.078 224 1H6 NAG 33 1H6 NAG 33 -3.989 9.651 6.082 225 2H6 NAG 33 2H6 NAG 33 -3.559 8.113 5.318 226 1H8 NAG 33 1H8 NAG 33 0.257 13.717 -0.817 227 2H8 NAG 33 2H8 NAG 33 -1.448 13.274 -1.104 228 3H8 NAG 33 3H8 NAG 33 -1.051 14.768 -0.209 229 HN2 NAG 33 HN2 NAG 33 -2.669 13.338 0.985 230 HO3 NAG 33 HO3 NAG 33 0.327 11.829 2.872 231 HO6 NAG 33 HO6 NAG 33 -5.779 8.470 5.888 232 H1 NAG 34 H1 NAG 34 -1.437 8.430 6.172 233 H2 NAG 34 H2 NAG 34 0.282 6.746 4.298 234 H3 NAG 34 H3 NAG 34 -0.330 6.494 7.277 235 H4 NAG 34 H4 NAG 34 2.213 7.167 5.721 236 H5 NAG 34 H5 NAG 34 0.516 8.795 7.638 237 1H6 NAG 34 1H6 NAG 34 2.082 10.597 7.153 238 2H6 NAG 34 2H6 NAG 34 2.962 9.589 5.993 239 1H8 NAG 34 1H8 NAG 34 -3.363 4.131 3.114 240 2H8 NAG 34 2H8 NAG 34 -3.822 4.831 4.688 241 3H8 NAG 34 3H8 NAG 34 -4.132 5.736 3.180 242 HN2 NAG 34 HN2 NAG 34 -2.106 5.605 5.714 243 HO4 NAG 34 HO4 NAG 34 2.878 7.393 8.042 244 HO3 NAG 34 HO3 NAG 34 1.549 5.113 6.943 245 HO6 NAG 34 HO6 NAG 34 3.944 9.774 8.090 Start of MODEL 5 1 1H VAL 1 H1 VAL 1 6.911 -0.053 5.092 2 2H VAL 1 H2 VAL 1 5.783 -0.245 3.989 3 3H VAL 1 H3 VAL 1 6.384 -1.586 4.733 4 HA VAL 1 HA VAL 1 4.091 -0.840 5.455 5 HB VAL 1 HB VAL 1 4.564 -1.107 7.894 6 1HG1 VAL 1 1HG1 VAL 1 4.084 -2.977 6.338 7 2HG1 VAL 1 2HG1 VAL 1 5.827 -3.188 6.050 8 3HG1 VAL 1 3HG1 VAL 1 5.154 -3.449 7.665 9 1HG2 VAL 1 1HG2 VAL 1 7.469 -1.518 6.997 10 2HG2 VAL 1 2HG2 VAL 1 6.880 -0.170 7.995 11 3HG2 VAL 1 3HG2 VAL 1 6.793 -1.825 8.602 12 H GLY 2 H GLY 2 2.838 0.944 5.931 13 1HA GLY 2 HA3 GLY 2 2.395 3.161 6.449 14 2HA GLY 2 HA2 GLY 2 4.061 3.396 7.027 15 H GLU 3 H GLU 3 5.706 2.962 5.214 16 HA GLU 3 HA GLU 3 4.994 4.252 2.620 17 1HB GLU 3 HB2 GLU 3 7.388 3.828 2.212 18 2HB GLU 3 HB1 GLU 3 7.060 4.918 3.383 19 1HG GLU 3 HG2 GLU 3 8.838 3.812 4.200 20 2HG GLU 3 HG1 GLU 3 7.584 3.108 4.974 21 H CYS 4 H CYS 4 5.410 3.039 0.580 22 HA CYS 4 HA CYS 4 5.203 0.071 0.926 23 1HB CYS 4 HB2 CYS 4 5.133 1.596 -1.585 24 2HB CYS 4 HB1 CYS 4 4.776 0.016 -1.377 25 H VAL 5 H VAL 5 6.624 -1.288 -0.119 26 HA VAL 5 HA VAL 5 9.442 -0.458 0.115 27 HB VAL 5 HB VAL 5 8.223 -3.211 -0.355 28 1HG1 VAL 5 1HG1 VAL 5 10.595 -3.053 -1.112 29 2HG1 VAL 5 2HG1 VAL 5 11.040 -2.325 0.449 30 3HG1 VAL 5 3HG1 VAL 5 10.465 -4.001 0.371 31 1HG2 VAL 5 1HG2 VAL 5 8.795 -3.576 2.035 32 2HG2 VAL 5 2HG2 VAL 5 9.253 -1.865 2.178 33 3HG2 VAL 5 3HG2 VAL 5 7.572 -2.311 1.845 34 H ARG 6 H ARG 6 8.991 0.971 -1.666 35 HA ARG 6 HA ARG 6 9.343 1.678 -3.835 36 1HB ARG 6 HB2 ARG 6 11.052 -0.731 -3.780 37 2HB ARG 6 HB1 ARG 6 11.027 0.288 -5.057 38 1HG ARG 6 HG2 ARG 6 12.867 0.810 -3.733 39 2HG ARG 6 HG1 ARG 6 11.799 2.043 -3.652 40 1HD ARG 6 HD2 ARG 6 11.744 0.132 -1.549 41 2HD ARG 6 HD1 ARG 6 12.970 1.211 -1.556 42 HE ARG 6 HE ARG 6 10.831 2.818 -1.780 43 1HH1 ARG 6 2HH2 ARG 6 11.895 0.572 0.729 44 2HH1 ARG 6 1HH2 ARG 6 10.896 1.349 1.911 45 1HH2 ARG 6 2HH1 ARG 6 9.413 3.527 -0.240 46 2HH2 ARG 6 1HH1 ARG 6 9.552 2.944 1.386 47 H GLY 7 H GLY 7 7.083 0.480 -3.319 48 1HA GLY 7 HA3 GLY 7 5.219 0.305 -4.900 49 2HA GLY 7 HA2 GLY 7 6.234 -0.673 -5.957 50 H ARG 8 H ARG 8 7.007 -2.144 -3.132 51 HA ARG 8 HA ARG 8 4.596 -3.936 -3.221 52 1HB ARG 8 HB2 ARG 8 7.135 -4.607 -3.777 53 2HB ARG 8 HB1 ARG 8 7.101 -4.940 -2.179 54 1HG ARG 8 HG2 ARG 8 4.933 -6.152 -2.832 55 2HG ARG 8 HG1 ARG 8 5.680 -6.240 -4.282 56 1HD ARG 8 HD2 ARG 8 7.520 -7.360 -3.260 57 2HD ARG 8 HD1 ARG 8 6.764 -7.280 -1.815 58 HE ARG 8 HE ARG 8 5.922 -8.922 -4.056 59 1HH1 ARG 8 2HH2 ARG 8 5.667 -8.378 -0.567 60 2HH1 ARG 8 1HH2 ARG 8 5.006 -9.959 -0.312 61 1HH2 ARG 8 2HH1 ARG 8 5.094 -10.963 -3.541 62 2HH2 ARG 8 1HH1 ARG 8 4.700 -11.337 -1.896 63 H CYS 9 H CYS 9 4.827 -5.346 -1.039 64 HA CYS 9 HA CYS 9 6.040 -4.097 1.182 65 1HB CYS 9 HB2 CYS 9 3.399 -3.350 0.731 66 2HB CYS 9 HB1 CYS 9 3.362 -4.369 2.007 67 HA PRO 10 HA PRO 10 6.108 -8.326 2.295 68 1HB PRO 10 HB2 PRO 10 4.974 -8.736 4.712 69 2HB PRO 10 HB1 PRO 10 6.466 -8.100 4.525 70 1HG PRO 10 HG2 PRO 10 4.014 -6.682 5.063 71 2HG PRO 10 HG1 PRO 10 5.493 -6.375 5.683 72 1HD PRO 10 HD2 PRO 10 4.569 -4.939 3.699 73 2HD PRO 10 HD1 PRO 10 6.169 -5.240 3.824 74 H SER 11 H SER 11 5.020 -10.290 2.174 75 HA SER 11 HA SER 11 2.711 -10.090 0.495 76 1HB SER 11 HB2 SER 11 3.960 -12.505 1.633 77 2HB SER 11 HB1 SER 11 2.899 -12.478 0.391 78 HG SER 11 HG SER 11 5.243 -12.551 -0.021 79 H GLY 12 H GLY 12 1.351 -9.047 1.913 80 1HA GLY 12 HA3 GLY 12 -0.934 -10.347 2.848 81 2HA GLY 12 HA2 GLY 12 0.152 -10.337 4.245 82 H MET 13 H MET 13 1.320 -7.637 3.271 83 HA MET 13 HA MET 13 -0.904 -5.827 4.113 84 1HB MET 13 HB2 MET 13 1.970 -5.350 3.566 85 2HB MET 13 HB1 MET 13 0.904 -4.178 3.959 86 1HG MET 13 HG2 MET 13 1.453 -6.391 5.704 87 2HG MET 13 HG1 MET 13 2.275 -4.983 5.804 88 1HE MET 13 HE1 MET 13 0.176 -4.936 9.068 89 2HE MET 13 HE2 MET 13 0.920 -6.346 8.282 90 3HE MET 13 HE3 MET 13 1.816 -4.813 8.391 91 H CYS 14 H CYS 14 -0.999 -3.759 2.680 92 HA CYS 14 HA CYS 14 -0.692 -4.440 -0.204 93 1HB CYS 14 HB2 CYS 14 -3.024 -2.999 0.830 94 2HB CYS 14 HB1 CYS 14 -2.850 -3.778 -0.595 95 H CYS 15 H CYS 15 -0.931 -2.390 -1.568 96 HA CYS 15 HA CYS 15 0.357 -0.054 -0.207 97 1HB CYS 15 HB2 CYS 15 1.880 -1.372 -1.548 98 2HB CYS 15 HB1 CYS 15 0.921 -1.231 -2.863 99 H SER 16 H SER 16 -0.420 1.961 -0.705 100 HA SER 16 HA SER 16 -2.660 2.194 -2.636 101 1HB SER 16 HB2 SER 16 -3.074 4.242 -1.667 102 2HB SER 16 HB1 SER 16 -2.790 3.246 -0.404 103 HG SER 16 HG SER 16 -1.669 4.960 0.130 104 H GLN 17 H GLN 17 -2.528 3.636 -4.392 105 HA GLN 17 HA GLN 17 -0.013 3.942 -5.660 106 1HB GLN 17 HB2 GLN 17 -1.306 5.315 -7.205 107 2HB GLN 17 HB1 GLN 17 -1.869 3.798 -6.980 108 1HG GLN 17 HG2 GLN 17 -3.042 5.719 -5.295 109 2HG GLN 17 HG1 GLN 17 -3.396 5.916 -6.877 110 1HE2 GLN 17 1HE2 GLN 17 -5.259 4.918 -7.613 111 2HE2 GLN 17 2HE2 GLN 17 -5.849 3.439 -6.870 112 1HN PFF 18 H PFF 18 -0.924 5.635 -2.972 113 HA PFF 18 HA PFF 18 0.527 8.112 -3.674 114 1HBC PFF 18 HB2 PFF 18 -0.637 7.055 -1.091 115 2HBC PFF 18 HB3 PFF 18 0.037 8.669 -1.303 116 HD1 PFF 18 HD1 PFF 18 -1.084 10.023 -3.371 117 HD2 PFF 18 HD2 PFF 18 -2.937 6.703 -1.340 118 HE1 PFF 18 HE1 PFF 18 -3.247 10.546 -4.477 119 HE2 PFF 18 HE2 PFF 18 -5.091 7.225 -2.456 120 H GLY 19 H GLY 19 1.420 4.921 -2.978 121 1HA GLY 19 HA3 GLY 19 3.636 4.184 -2.723 122 2HA GLY 19 HA2 GLY 19 4.148 5.808 -2.245 123 1HN PFF 20 H PFF 20 1.308 4.609 -0.603 124 HA PFF 20 HA PFF 20 2.935 4.168 1.836 125 1HBC PFF 20 HB2 PFF 20 0.141 5.270 1.422 126 2HBC PFF 20 HB3 PFF 20 0.959 5.114 2.967 127 HD1 PFF 20 HD1 PFF 20 3.623 6.168 2.524 128 HD2 PFF 20 HD2 PFF 20 -0.128 7.578 0.966 129 HE1 PFF 20 HE1 PFF 20 4.479 8.495 2.577 130 HE2 PFF 20 HE2 PFF 20 0.765 9.889 0.922 131 H CYS 21 H CYS 21 2.261 2.462 3.279 132 HA CYS 21 HA CYS 21 0.389 0.493 2.015 133 1HB CYS 21 HB2 CYS 21 2.089 -0.683 1.348 134 2HB CYS 21 HB1 CYS 21 3.179 0.297 2.067 135 H GLY 22 H GLY 22 -0.410 -1.147 3.173 136 1HA GLY 22 HA3 GLY 22 -0.044 -1.870 5.846 137 2HA GLY 22 HA2 GLY 22 -1.260 -0.569 5.850 138 H LYS 23 H LYS 23 -2.349 -2.863 6.655 139 HA LYS 23 HA LYS 23 -3.509 -4.175 4.254 140 1HB LYS 23 HB2 LYS 23 -2.662 -5.424 6.280 141 2HB LYS 23 HB1 LYS 23 -4.034 -4.968 7.039 142 1HG LYS 23 HG2 LYS 23 -5.352 -6.156 5.548 143 2HG LYS 23 HG1 LYS 23 -4.091 -6.399 4.538 144 1HD LYS 23 HD2 LYS 23 -3.063 -7.796 6.195 145 2HD LYS 23 HD1 LYS 23 -4.369 -7.591 7.155 146 1HE LYS 23 HE2 LYS 23 -4.507 -9.674 6.015 147 2HE LYS 23 HE1 LYS 23 -5.731 -8.697 5.553 148 1HZ LYS 23 HZ1 LYS 23 -3.298 -8.918 4.056 149 2HZ LYS 23 HZ2 LYS 23 -4.629 -9.842 3.713 150 3HZ LYS 23 HZ3 LYS 23 -4.671 -8.200 3.560 151 H GLY 24 H GLY 24 -4.263 -1.530 5.851 152 1HA GLY 24 HA3 GLY 24 -7.082 -1.890 6.367 153 2HA GLY 24 HA2 GLY 24 -6.251 -0.332 6.313 154 HA PRO 25 HA PRO 25 -9.274 -1.424 2.662 155 1HB PRO 25 HB2 PRO 25 -10.499 1.020 3.790 156 2HB PRO 25 HB1 PRO 25 -11.225 -0.212 3.002 157 1HG PRO 25 HG2 PRO 25 -11.304 -0.216 5.583 158 2HG PRO 25 HG1 PRO 25 -11.031 -1.636 4.824 159 1HD PRO 25 HD2 PRO 25 -9.106 0.053 6.129 160 2HD PRO 25 HD1 PRO 25 -9.123 -1.579 6.077 161 H LYS 26 H LYS 26 -8.189 1.901 3.675 162 HA LYS 26 HA LYS 26 -8.030 2.773 0.957 163 1HB LYS 26 HB2 LYS 26 -6.862 3.954 3.391 164 2HB LYS 26 HB1 LYS 26 -6.997 4.712 1.951 165 1HG LYS 26 HG2 LYS 26 -9.456 4.185 2.204 166 2HG LYS 26 HG1 LYS 26 -9.088 4.046 3.789 167 1HD LYS 26 HD2 LYS 26 -9.549 6.206 3.838 168 2HD LYS 26 HD1 LYS 26 -8.019 6.363 3.290 169 1HE LYS 26 HE2 LYS 26 -10.363 6.336 1.612 170 2HE LYS 26 HE1 LYS 26 -9.510 7.676 1.990 171 1HZ LYS 26 HZ1 LYS 26 -8.915 7.013 -0.154 172 2HZ LYS 26 HZ2 LYS 26 -7.639 6.809 0.817 173 3HZ LYS 26 HZ3 LYS 26 -8.586 5.498 0.349 174 H TYR 27 H TYR 27 -5.804 0.831 2.724 175 HA TYR 27 HA TYR 27 -3.523 1.558 0.943 176 1HB TYR 27 HB2 TYR 27 -3.851 -0.483 3.058 177 2HB TYR 27 HB1 TYR 27 -2.477 -0.242 2.210 178 HD1 TYR 27 HD1 TYR 27 -1.473 2.185 2.250 179 HD2 TYR 27 HD2 TYR 27 -4.251 0.608 5.121 180 HE1 TYR 27 HE1 TYR 27 -0.607 3.782 3.968 181 HE2 TYR 27 HE2 TYR 27 -3.458 2.298 6.796 182 HH TYR 27 HH TYR 27 -0.967 4.696 5.998 183 H CYS 28 H CYS 28 -5.849 -1.041 1.618 184 HA CYS 28 HA CYS 28 -4.742 -2.636 -0.560 185 1HB CYS 28 HB2 CYS 28 -5.491 -3.255 1.819 186 2HB CYS 28 HB1 CYS 28 -6.961 -3.450 1.136 187 H GLY 29 H GLY 29 -8.065 -1.415 0.189 188 1HA GLY 29 HA3 GLY 29 -8.885 -2.040 -2.618 189 2HA GLY 29 HA2 GLY 29 -9.956 -1.696 -1.264 190 H ARG 30 H ARG 30 -7.787 0.583 -0.766 191 HA ARG 30 HA ARG 30 -7.337 2.773 -1.316 192 1HB ARG 30 HB2 ARG 30 -8.789 2.296 -3.835 193 2HB ARG 30 HB1 ARG 30 -8.105 3.722 -3.427 194 1HG ARG 30 HG2 ARG 30 -6.448 2.949 -4.640 195 2HG ARG 30 HG1 ARG 30 -6.029 2.238 -3.230 196 1HD ARG 30 HD2 ARG 30 -7.722 0.599 -4.684 197 2HD ARG 30 HD1 ARG 30 -6.397 0.983 -5.559 198 HE ARG 30 HE ARG 30 -6.491 -0.923 -3.516 199 1HH1 ARG 30 2HH2 ARG 30 -4.198 1.533 -4.687 200 2HH1 ARG 30 1HH2 ARG 30 -2.868 0.626 -4.047 201 1HH2 ARG 30 2HH1 ARG 30 -4.735 -1.897 -2.741 202 2HH2 ARG 30 1HH1 ARG 30 -3.159 -1.223 -2.996 203 1HN NH2 31 1HN NH2 31 -10.706 1.880 -2.187 204 2HN NH2 31 2HN NH2 31 -11.436 3.167 -1.221 205 H1 NAG 32 H1 NAG 32 -9.395 12.714 -2.468 206 H2 NAG 32 H2 NAG 32 -7.888 10.345 -3.605 207 H3 NAG 32 H3 NAG 32 -7.891 11.230 -0.688 208 H4 NAG 32 H4 NAG 32 -5.667 11.510 -2.776 209 H5 NAG 32 H5 NAG 32 -7.509 13.601 -1.561 210 1H6 NAG 32 1H6 NAG 32 -6.256 15.022 -3.382 211 2H6 NAG 32 2H6 NAG 32 -4.918 13.903 -3.085 212 1H8 NAG 32 1H8 NAG 32 -11.914 9.225 -1.260 213 2H8 NAG 32 2H8 NAG 32 -11.747 8.505 -2.888 214 3H8 NAG 32 3H8 NAG 32 -11.427 7.522 -1.444 215 HN2 NAG 32 HN2 NAG 32 -10.495 10.536 -2.842 216 HO1 NAG 32 HO1 NAG 32 -9.102 12.846 -4.928 217 HO3 NAG 32 HO3 NAG 32 -7.549 8.981 -1.595 218 HO6 NAG 32 HO6 NAG 32 -4.695 14.767 -1.115 219 H1 NAG 33 H1 NAG 33 -4.215 10.485 -1.280 220 H2 NAG 33 H2 NAG 33 -3.445 12.477 0.860 221 H3 NAG 33 H3 NAG 33 -1.914 9.954 0.203 222 H4 NAG 33 H4 NAG 33 -3.607 10.361 2.719 223 H5 NAG 33 H5 NAG 33 -4.056 8.717 0.181 224 1H6 NAG 33 1H6 NAG 33 -5.870 8.995 2.605 225 2H6 NAG 33 2H6 NAG 33 -4.992 7.522 2.125 226 1H8 NAG 33 1H8 NAG 33 -1.348 14.993 -2.458 227 2H8 NAG 33 2H8 NAG 33 -0.248 13.721 -1.874 228 3H8 NAG 33 3H8 NAG 33 -1.409 13.372 -3.197 229 HN2 NAG 33 HN2 NAG 33 -1.572 11.692 -1.330 230 HO3 NAG 33 HO3 NAG 33 -1.024 10.640 2.272 231 HO6 NAG 33 HO6 NAG 33 -6.504 8.892 0.219 232 H1 NAG 34 H1 NAG 34 -2.760 8.847 4.321 233 H2 NAG 34 H2 NAG 34 -0.742 6.951 3.050 234 H3 NAG 34 H3 NAG 34 -1.290 7.426 5.986 235 H4 NAG 34 H4 NAG 34 1.124 8.078 4.184 236 H5 NAG 34 H5 NAG 34 -0.905 9.786 5.695 237 1H6 NAG 34 1H6 NAG 34 0.310 11.701 4.817 238 2H6 NAG 34 2H6 NAG 34 1.444 10.651 3.955 239 1H8 NAG 34 1H8 NAG 34 -4.928 5.415 3.381 240 2H8 NAG 34 2H8 NAG 34 -4.499 4.499 1.907 241 3H8 NAG 34 3H8 NAG 34 -4.016 3.879 3.513 242 HN2 NAG 34 HN2 NAG 34 -3.036 6.001 4.698 243 HO4 NAG 34 HO4 NAG 34 1.681 8.996 6.392 244 HO3 NAG 34 HO3 NAG 34 0.818 6.339 5.888 245 HO6 NAG 34 HO6 NAG 34 2.214 11.509 5.978 Start of MODEL 6 1 1H VAL 1 H1 VAL 1 5.080 5.950 8.815 2 2H VAL 1 H2 VAL 1 3.858 5.797 7.691 3 3H VAL 1 H3 VAL 1 5.394 5.435 7.272 4 HA VAL 1 HA VAL 1 5.506 3.557 8.631 5 HB VAL 1 HB VAL 1 3.466 2.754 9.797 6 1HG1 VAL 1 1HG1 VAL 1 3.793 4.109 11.773 7 2HG1 VAL 1 2HG1 VAL 1 5.351 3.878 10.969 8 3HG1 VAL 1 3HG1 VAL 1 4.496 5.433 10.835 9 1HG2 VAL 1 1HG2 VAL 1 2.408 5.606 9.417 10 2HG2 VAL 1 2HG2 VAL 1 1.713 4.135 8.697 11 3HG2 VAL 1 3HG2 VAL 1 1.716 4.347 10.446 12 H GLY 2 H GLY 2 5.239 1.681 7.454 13 1HA GLY 2 HA3 GLY 2 4.233 0.240 5.907 14 2HA GLY 2 HA2 GLY 2 2.930 1.397 5.652 15 H GLU 3 H GLU 3 5.891 3.076 5.293 16 HA GLU 3 HA GLU 3 5.834 3.605 2.599 17 1HB GLU 3 HB2 GLU 3 8.039 3.414 4.513 18 2HB GLU 3 HB1 GLU 3 8.320 3.844 2.962 19 1HG GLU 3 HG2 GLU 3 8.104 5.777 4.282 20 2HG GLU 3 HG1 GLU 3 6.871 5.705 3.213 21 H CYS 4 H CYS 4 5.344 2.119 1.102 22 HA CYS 4 HA CYS 4 6.466 -0.503 0.992 23 1HB CYS 4 HB2 CYS 4 5.272 1.094 -1.200 24 2HB CYS 4 HB1 CYS 4 5.448 -0.530 -1.188 25 H VAL 5 H VAL 5 7.744 -1.405 -0.733 26 HA VAL 5 HA VAL 5 10.026 0.236 -1.596 27 HB VAL 5 HB VAL 5 10.214 -2.087 -0.811 28 1HG1 VAL 5 1HG1 VAL 5 9.300 -3.037 -3.545 29 2HG1 VAL 5 2HG1 VAL 5 9.843 -3.988 -2.162 30 3HG1 VAL 5 3HG1 VAL 5 8.312 -3.112 -2.072 31 1HG2 VAL 5 1HG2 VAL 5 11.368 -1.567 -3.579 32 2HG2 VAL 5 2HG2 VAL 5 12.019 -0.957 -2.042 33 3HG2 VAL 5 3HG2 VAL 5 11.994 -2.699 -2.368 34 H ARG 6 H ARG 6 7.990 1.476 -2.446 35 HA ARG 6 HA ARG 6 6.796 2.411 -4.141 36 1HB ARG 6 HB2 ARG 6 9.020 1.494 -5.859 37 2HB ARG 6 HB1 ARG 6 7.991 2.719 -6.185 38 1HG ARG 6 HG2 ARG 6 9.968 2.729 -4.089 39 2HG ARG 6 HG1 ARG 6 10.064 3.587 -5.476 40 1HD ARG 6 HD2 ARG 6 9.371 5.182 -4.063 41 2HD ARG 6 HD1 ARG 6 7.935 4.658 -4.638 42 HE ARG 6 HE ARG 6 8.877 3.454 -2.190 43 1HH1 ARG 6 2HH2 ARG 6 6.680 5.845 -3.535 44 2HH1 ARG 6 1HH2 ARG 6 5.685 5.838 -2.117 45 1HH2 ARG 6 2HH1 ARG 6 7.515 3.373 -0.503 46 2HH2 ARG 6 1HH1 ARG 6 6.156 4.443 -0.409 47 H GLY 7 H GLY 7 6.087 -0.030 -3.403 48 1HA GLY 7 HA3 GLY 7 3.842 -0.474 -4.813 49 2HA GLY 7 HA2 GLY 7 4.953 -1.412 -5.805 50 H ARG 8 H ARG 8 6.442 -2.358 -3.264 51 HA ARG 8 HA ARG 8 4.327 -4.149 -2.164 52 1HB ARG 8 HB2 ARG 8 6.301 -4.880 -3.859 53 2HB ARG 8 HB1 ARG 8 6.968 -5.252 -2.416 54 1HG ARG 8 HG2 ARG 8 5.971 -7.187 -3.035 55 2HG ARG 8 HG1 ARG 8 4.901 -6.539 -1.985 56 1HD ARG 8 HD2 ARG 8 4.628 -6.405 -4.853 57 2HD ARG 8 HD1 ARG 8 3.808 -7.451 -3.903 58 HE ARG 8 HE ARG 8 3.290 -4.635 -4.208 59 1HH1 ARG 8 2HH2 ARG 8 2.361 -7.463 -2.303 60 2HH1 ARG 8 1HH2 ARG 8 1.232 -6.523 -1.386 61 1HH2 ARG 8 2HH1 ARG 8 2.011 -3.536 -2.924 62 2HH2 ARG 8 1HH1 ARG 8 1.041 -4.332 -1.731 63 H CYS 9 H CYS 9 5.077 -5.459 -0.270 64 HA CYS 9 HA CYS 9 6.525 -3.957 1.775 65 1HB CYS 9 HB2 CYS 9 3.667 -3.866 1.360 66 2HB CYS 9 HB1 CYS 9 4.070 -4.361 2.864 67 HA PRO 10 HA PRO 10 6.567 -8.101 3.583 68 1HB PRO 10 HB2 PRO 10 5.895 -7.675 6.147 69 2HB PRO 10 HB1 PRO 10 7.378 -7.300 5.574 70 1HG PRO 10 HG2 PRO 10 5.152 -5.485 5.968 71 2HG PRO 10 HG1 PRO 10 6.711 -5.233 6.385 72 1HD PRO 10 HD2 PRO 10 5.819 -4.229 4.162 73 2HD PRO 10 HD1 PRO 10 7.346 -4.805 4.221 74 H SER 11 H SER 11 5.086 -9.565 4.999 75 HA SER 11 HA SER 11 3.387 -11.018 4.405 76 1HB SER 11 HB2 SER 11 2.344 -8.748 5.975 77 2HB SER 11 HB1 SER 11 1.583 -10.190 5.872 78 HG SER 11 HG SER 11 2.901 -10.159 7.686 79 H GLY 12 H GLY 12 3.749 -9.630 2.204 80 1HA GLY 12 HA3 GLY 12 2.856 -9.209 0.097 81 2HA GLY 12 HA2 GLY 12 1.457 -10.142 0.625 82 H MET 13 H MET 13 1.972 -7.271 2.540 83 HA MET 13 HA MET 13 -0.709 -6.689 2.298 84 1HB MET 13 HB2 MET 13 1.496 -4.883 3.079 85 2HB MET 13 HB1 MET 13 -0.078 -4.498 3.284 86 1HG MET 13 HG2 MET 13 1.068 -6.877 4.422 87 2HG MET 13 HG1 MET 13 1.010 -5.469 5.247 88 1HE MET 13 HE1 MET 13 -0.182 -8.451 6.008 89 2HE MET 13 HE2 MET 13 -0.042 -7.101 7.162 90 3HE MET 13 HE3 MET 13 -1.605 -7.922 6.931 91 H CYS 14 H CYS 14 -1.775 -4.554 1.719 92 HA CYS 14 HA CYS 14 -1.307 -4.171 -1.204 93 1HB CYS 14 HB2 CYS 14 -3.410 -2.885 0.380 94 2HB CYS 14 HB1 CYS 14 -3.366 -3.145 -1.232 95 H CYS 15 H CYS 15 -0.641 -2.126 -2.027 96 HA CYS 15 HA CYS 15 0.132 -0.060 -0.046 97 1HB CYS 15 HB2 CYS 15 1.043 -0.631 -2.793 98 2HB CYS 15 HB1 CYS 15 1.492 0.690 -1.944 99 H SER 16 H SER 16 -0.935 1.907 -0.137 100 HA SER 16 HA SER 16 -2.828 2.591 -2.272 101 1HB SER 16 HB2 SER 16 -2.682 4.780 -1.237 102 2HB SER 16 HB1 SER 16 -2.996 3.658 -0.093 103 HG SER 16 HG SER 16 -1.455 4.808 0.848 104 H GLN 17 H GLN 17 -2.281 4.205 -3.888 105 HA GLN 17 HA GLN 17 0.188 3.435 -5.073 106 1HB GLN 17 HB2 GLN 17 -2.085 5.071 -5.913 107 2HB GLN 17 HB1 GLN 17 -0.750 5.011 -6.852 108 1HG GLN 17 HG2 GLN 17 -2.521 3.337 -7.344 109 2HG GLN 17 HG1 GLN 17 -0.992 2.771 -7.249 110 1HE2 GLN 17 1HE2 GLN 17 -0.553 0.991 -5.904 111 2HE2 GLN 17 2HE2 GLN 17 -1.596 0.649 -4.520 112 1HN PFF 18 H PFF 18 -0.245 5.942 -2.923 113 HA PFF 18 HA PFF 18 2.075 7.538 -3.695 114 1HBC PFF 18 HB2 PFF 18 0.982 6.917 -0.969 115 2HBC PFF 18 HB3 PFF 18 1.914 8.353 -1.419 116 HD1 PFF 18 HD1 PFF 18 0.672 9.823 -3.337 117 HD2 PFF 18 HD2 PFF 18 -1.316 7.001 -0.754 118 HE1 PFF 18 HE1 PFF 18 -1.534 10.676 -4.091 119 HE2 PFF 18 HE2 PFF 18 -3.516 7.841 -1.537 120 H GLY 19 H GLY 19 1.639 4.296 -2.676 121 1HA GLY 19 HA3 GLY 19 3.197 2.625 -2.400 122 2HA GLY 19 HA2 GLY 19 4.494 3.814 -2.323 123 1HN PFF 20 H PFF 20 1.498 3.402 -0.362 124 HA PFF 20 HA PFF 20 3.178 2.865 2.041 125 1HBC PFF 20 HB2 PFF 20 0.596 4.449 1.875 126 2HBC PFF 20 HB3 PFF 20 1.642 4.199 3.262 127 HD1 PFF 20 HD1 PFF 20 4.277 4.858 2.474 128 HD2 PFF 20 HD2 PFF 20 0.604 6.711 1.261 129 HE1 PFF 20 HE1 PFF 20 5.502 6.986 1.999 130 HE2 PFF 20 HE2 PFF 20 1.820 8.857 0.930 131 H CYS 21 H CYS 21 2.456 0.992 3.183 132 HA CYS 21 HA CYS 21 -0.008 -0.210 2.053 133 1HB CYS 21 HB2 CYS 21 1.085 -2.295 2.472 134 2HB CYS 21 HB1 CYS 21 2.084 -1.339 1.602 135 H GLY 22 H GLY 22 -1.140 -1.866 3.124 136 1HA GLY 22 HA3 GLY 22 -0.783 -2.825 5.644 137 2HA GLY 22 HA2 GLY 22 -1.660 -1.325 5.978 138 H LYS 23 H LYS 23 -2.711 -3.737 6.721 139 HA LYS 23 HA LYS 23 -4.572 -4.796 4.763 140 1HB LYS 23 HB2 LYS 23 -3.567 -5.983 6.726 141 2HB LYS 23 HB1 LYS 23 -4.634 -5.208 7.689 142 1HG LYS 23 HG2 LYS 23 -6.370 -6.153 6.144 143 2HG LYS 23 HG1 LYS 23 -5.195 -7.198 5.701 144 1HD LYS 23 HD2 LYS 23 -6.565 -8.168 7.368 145 2HD LYS 23 HD1 LYS 23 -5.039 -7.990 7.922 146 1HE LYS 23 HE2 LYS 23 -6.727 -7.382 9.545 147 2HE LYS 23 HE1 LYS 23 -5.655 -6.186 9.248 148 1HZ LYS 23 HZ1 LYS 23 -7.190 -5.091 7.872 149 2HZ LYS 23 HZ2 LYS 23 -8.264 -6.325 8.056 150 3HZ LYS 23 HZ3 LYS 23 -7.878 -5.358 9.334 151 H GLY 24 H GLY 24 -5.201 -2.265 4.491 152 1HA GLY 24 HA3 GLY 24 -7.879 -2.050 5.785 153 2HA GLY 24 HA2 GLY 24 -6.747 -0.723 6.066 154 HA PRO 25 HA PRO 25 -9.351 -0.685 2.023 155 1HB PRO 25 HB2 PRO 25 -11.102 1.272 2.687 156 2HB PRO 25 HB1 PRO 25 -11.411 -0.317 2.901 157 1HG PRO 25 HG2 PRO 25 -10.518 1.574 4.898 158 2HG PRO 25 HG1 PRO 25 -11.643 0.403 5.078 159 1HD PRO 25 HD2 PRO 25 -9.225 -0.018 5.935 160 2HD PRO 25 HD1 PRO 25 -10.064 -1.251 5.270 161 H LYS 26 H LYS 26 -8.447 2.178 4.030 162 HA LYS 26 HA LYS 26 -7.943 3.916 1.837 163 1HB LYS 26 HB2 LYS 26 -7.066 3.837 4.644 164 2HB LYS 26 HB1 LYS 26 -6.380 4.925 3.637 165 1HG LYS 26 HG2 LYS 26 -9.215 4.753 4.108 166 2HG LYS 26 HG1 LYS 26 -8.242 5.837 4.846 167 1HD LYS 26 HD2 LYS 26 -8.865 5.774 2.034 168 2HD LYS 26 HD1 LYS 26 -9.354 6.916 3.094 169 1HE LYS 26 HE2 LYS 26 -7.670 8.058 2.257 170 2HE LYS 26 HE1 LYS 26 -6.791 7.190 3.326 171 1HZ LYS 26 HZ1 LYS 26 -6.179 5.661 1.585 172 2HZ LYS 26 HZ2 LYS 26 -7.117 6.545 0.547 173 3HZ LYS 26 HZ3 LYS 26 -5.775 7.219 1.227 174 H TYR 27 H TYR 27 -6.110 1.158 2.741 175 HA TYR 27 HA TYR 27 -3.771 2.146 1.177 176 1HB TYR 27 HB2 TYR 27 -4.156 -0.227 2.887 177 2HB TYR 27 HB1 TYR 27 -2.830 0.021 1.967 178 HD1 TYR 27 HD1 TYR 27 -1.858 2.577 2.305 179 HD2 TYR 27 HD2 TYR 27 -3.916 0.166 5.207 180 HE1 TYR 27 HE1 TYR 27 -0.411 3.504 4.100 181 HE2 TYR 27 HE2 TYR 27 -2.662 1.350 7.035 182 HH TYR 27 HH TYR 27 -0.168 3.792 6.300 183 H CYS 28 H CYS 28 -6.012 -0.688 1.427 184 HA CYS 28 HA CYS 28 -4.957 -1.688 -1.067 185 1HB CYS 28 HB2 CYS 28 -5.819 -2.877 1.017 186 2HB CYS 28 HB1 CYS 28 -7.306 -2.724 0.359 187 H GLY 29 H GLY 29 -8.032 -0.172 -0.101 188 1HA GLY 29 HA3 GLY 29 -9.123 -0.262 -2.862 189 2HA GLY 29 HA2 GLY 29 -9.944 0.283 -1.402 190 H ARG 30 H ARG 30 -7.618 1.868 -0.594 191 HA ARG 30 HA ARG 30 -6.797 3.875 -0.518 192 1HB ARG 30 HB2 ARG 30 -5.491 4.578 -2.070 193 2HB ARG 30 HB1 ARG 30 -5.762 3.087 -2.679 194 1HG ARG 30 HG2 ARG 30 -7.259 5.228 -3.765 195 2HG ARG 30 HG1 ARG 30 -5.682 5.124 -4.175 196 1HD ARG 30 HD2 ARG 30 -7.764 3.273 -4.861 197 2HD ARG 30 HD1 ARG 30 -6.826 4.128 -5.889 198 HE ARG 30 HE ARG 30 -4.910 2.745 -5.190 199 1HH1 ARG 30 2HH2 ARG 30 -8.102 1.298 -4.815 200 2HH1 ARG 30 1HH2 ARG 30 -7.402 -0.206 -4.315 201 1HH2 ARG 30 2HH1 ARG 30 -4.166 0.893 -4.354 202 2HH2 ARG 30 1HH1 ARG 30 -5.249 -0.426 -4.060 203 1HN NH2 31 1HN NH2 31 -9.545 3.976 -2.789 204 2HN NH2 31 2HN NH2 31 -10.120 5.514 -2.142 205 H1 NAG 32 H1 NAG 32 -7.020 13.130 -3.312 206 H2 NAG 32 H2 NAG 32 -6.100 10.832 -2.531 207 H3 NAG 32 H3 NAG 32 -5.786 12.060 0.194 208 H4 NAG 32 H4 NAG 32 -3.573 12.020 -1.877 209 H5 NAG 32 H5 NAG 32 -4.671 14.399 -0.326 210 1H6 NAG 32 1H6 NAG 32 -2.534 14.850 -1.316 211 2H6 NAG 32 2H6 NAG 32 -3.765 15.678 -2.279 212 1H8 NAG 32 1H8 NAG 32 -10.285 10.820 -1.341 213 2H8 NAG 32 2H8 NAG 32 -10.007 9.719 0.030 214 3H8 NAG 32 3H8 NAG 32 -9.835 11.477 0.264 215 HN2 NAG 32 HN2 NAG 32 -8.328 12.384 -1.519 216 HO1 NAG 32 HO1 NAG 32 -4.476 13.392 -3.669 217 HO3 NAG 32 HO3 NAG 32 -5.927 9.827 -0.560 218 HO6 NAG 32 HO6 NAG 32 -2.171 13.458 -2.870 219 H1 NAG 33 H1 NAG 33 -2.161 10.800 -0.529 220 H2 NAG 33 H2 NAG 33 -1.228 12.420 1.859 221 H3 NAG 33 H3 NAG 33 -0.096 9.851 0.728 222 H4 NAG 33 H4 NAG 33 -1.535 10.335 3.399 223 H5 NAG 33 H5 NAG 33 -2.276 8.886 0.812 224 1H6 NAG 33 1H6 NAG 33 -3.972 9.329 3.305 225 2H6 NAG 33 2H6 NAG 33 -3.317 7.767 2.768 226 1H8 NAG 33 1H8 NAG 33 1.368 14.334 -1.183 227 2H8 NAG 33 2H8 NAG 33 2.021 12.707 -1.558 228 3H8 NAG 33 3H8 NAG 33 1.032 13.576 -2.757 229 HN2 NAG 33 HN2 NAG 33 0.890 12.638 0.574 230 HO3 NAG 33 HO3 NAG 33 1.105 10.097 2.785 231 HO6 NAG 33 HO6 NAG 33 -4.711 9.400 0.994 232 H1 NAG 34 H1 NAG 34 -0.683 8.797 4.921 233 H2 NAG 34 H2 NAG 34 0.306 6.314 3.503 234 H3 NAG 34 H3 NAG 34 0.446 6.821 6.468 235 H4 NAG 34 H4 NAG 34 2.586 6.713 4.245 236 H5 NAG 34 H5 NAG 34 1.532 8.881 6.070 237 1H6 NAG 34 1H6 NAG 34 3.839 9.219 6.153 238 2H6 NAG 34 2H6 NAG 34 3.281 10.268 4.848 239 1H8 NAG 34 1H8 NAG 34 -3.407 4.507 4.984 240 2H8 NAG 34 2H8 NAG 34 -4.159 5.998 4.335 241 3H8 NAG 34 3H8 NAG 34 -3.937 4.558 3.291 242 HN2 NAG 34 HN2 NAG 34 -1.893 6.286 5.508 243 HO4 NAG 34 HO4 NAG 34 3.993 6.491 5.781 244 HO3 NAG 34 HO3 NAG 34 1.833 4.861 5.957 245 HO6 NAG 34 HO6 NAG 34 4.843 7.875 4.703 Start of MODEL 7 1 1H VAL 1 H1 VAL 1 8.437 6.241 5.994 2 2H VAL 1 H2 VAL 1 8.791 7.544 6.961 3 3H VAL 1 H3 VAL 1 7.588 7.561 5.819 4 HA VAL 1 HA VAL 1 7.634 5.845 8.226 5 HB VAL 1 HB VAL 1 5.707 7.230 9.036 6 1HG1 VAL 1 1HG1 VAL 1 7.135 8.920 9.998 7 2HG1 VAL 1 2HG1 VAL 1 8.014 7.387 9.919 8 3HG1 VAL 1 3HG1 VAL 1 8.370 8.686 8.754 9 1HG2 VAL 1 1HG2 VAL 1 5.162 8.437 6.885 10 2HG2 VAL 1 2HG2 VAL 1 5.478 9.522 8.238 11 3HG2 VAL 1 3HG2 VAL 1 6.714 9.292 6.996 12 H GLY 2 H GLY 2 7.381 4.353 6.188 13 1HA GLY 2 HA3 GLY 2 5.766 2.467 6.514 14 2HA GLY 2 HA2 GLY 2 4.460 3.622 6.273 15 H GLU 3 H GLU 3 7.234 4.069 4.227 16 HA GLU 3 HA GLU 3 5.633 4.060 1.923 17 1HB GLU 3 HB2 GLU 3 8.551 4.108 2.276 18 2HB GLU 3 HB1 GLU 3 7.800 4.402 0.856 19 1HG GLU 3 HG2 GLU 3 8.249 6.467 1.683 20 2HG GLU 3 HG1 GLU 3 6.661 6.246 1.995 21 H CYS 4 H CYS 4 5.780 2.813 -0.034 22 HA CYS 4 HA CYS 4 6.037 -0.043 0.541 23 1HB CYS 4 HB2 CYS 4 5.398 1.157 -2.066 24 2HB CYS 4 HB1 CYS 4 4.998 -0.331 -1.522 25 H VAL 5 H VAL 5 7.132 -1.558 -0.663 26 HA VAL 5 HA VAL 5 9.847 -0.859 -1.561 27 HB VAL 5 HB VAL 5 8.410 -3.553 -1.525 28 1HG1 VAL 5 1HG1 VAL 5 10.722 -4.452 -1.629 29 2HG1 VAL 5 2HG1 VAL 5 10.368 -3.485 -3.064 30 3HG1 VAL 5 3HG1 VAL 5 11.365 -2.803 -1.760 31 1HG2 VAL 5 1HG2 VAL 5 8.594 -2.683 0.762 32 2HG2 VAL 5 2HG2 VAL 5 9.768 -3.980 0.509 33 3HG2 VAL 5 3HG2 VAL 5 10.304 -2.287 0.494 34 H ARG 6 H ARG 6 8.866 0.592 -3.118 35 HA ARG 6 HA ARG 6 8.271 1.243 -5.205 36 1HB ARG 6 HB2 ARG 6 10.316 -0.510 -5.509 37 2HB ARG 6 HB1 ARG 6 9.237 -1.116 -6.574 38 1HG ARG 6 HG2 ARG 6 9.860 1.672 -6.649 39 2HG ARG 6 HG1 ARG 6 10.869 0.611 -7.374 40 1HD ARG 6 HD2 ARG 6 8.098 0.693 -8.099 41 2HD ARG 6 HD1 ARG 6 9.167 1.706 -8.804 42 HE ARG 6 HE ARG 6 10.329 -0.134 -9.754 43 1HH1 ARG 6 2HH2 ARG 6 7.177 -1.028 -8.444 44 2HH1 ARG 6 1HH2 ARG 6 7.014 -2.347 -9.556 45 1HH2 ARG 6 2HH1 ARG 6 9.996 -1.806 -11.170 46 2HH2 ARG 6 1HH1 ARG 6 8.565 -2.775 -11.056 47 H GLY 7 H GLY 7 6.412 0.050 -3.762 48 1HA GLY 7 HA3 GLY 7 4.031 -0.032 -4.407 49 2HA GLY 7 HA2 GLY 7 4.470 -0.970 -5.825 50 H ARG 8 H ARG 8 6.292 -2.508 -3.486 51 HA ARG 8 HA ARG 8 3.997 -4.234 -2.632 52 1HB ARG 8 HB2 ARG 8 6.682 -4.859 -3.654 53 2HB ARG 8 HB1 ARG 8 6.016 -5.876 -2.564 54 1HG ARG 8 HG2 ARG 8 4.967 -5.254 -5.171 55 2HG ARG 8 HG1 ARG 8 5.534 -6.706 -4.682 56 1HD ARG 8 HD2 ARG 8 3.023 -5.498 -4.000 57 2HD ARG 8 HD1 ARG 8 3.268 -6.966 -4.673 58 HE ARG 8 HE ARG 8 4.310 -7.541 -2.397 59 1HH1 ARG 8 2HH2 ARG 8 1.296 -5.816 -2.983 60 2HH1 ARG 8 1HH2 ARG 8 0.720 -6.127 -1.379 61 1HH2 ARG 8 2HH1 ARG 8 3.526 -7.691 -0.262 62 2HH2 ARG 8 1HH1 ARG 8 1.922 -7.138 0.088 63 H CYS 9 H CYS 9 4.798 -5.701 -0.743 64 HA CYS 9 HA CYS 9 6.548 -4.548 1.206 65 1HB CYS 9 HB2 CYS 9 3.765 -3.844 1.174 66 2HB CYS 9 HB1 CYS 9 4.195 -4.546 2.584 67 HA PRO 10 HA PRO 10 6.243 -8.750 2.584 68 1HB PRO 10 HB2 PRO 10 6.511 -8.612 5.222 69 2HB PRO 10 HB1 PRO 10 7.739 -8.175 4.237 70 1HG PRO 10 HG2 PRO 10 5.858 -6.410 5.562 71 2HG PRO 10 HG1 PRO 10 7.480 -6.234 5.483 72 1HD PRO 10 HD2 PRO 10 5.945 -4.951 3.803 73 2HD PRO 10 HD1 PRO 10 7.415 -5.482 3.328 74 H SER 11 H SER 11 5.251 -10.076 4.529 75 HA SER 11 HA SER 11 3.358 -11.355 4.935 76 1HB SER 11 HB2 SER 11 3.381 -8.865 6.523 77 2HB SER 11 HB1 SER 11 2.676 -10.260 6.998 78 HG SER 11 HG SER 11 4.744 -10.153 7.844 79 H GLY 12 H GLY 12 2.593 -10.265 2.693 80 1HA GLY 12 HA3 GLY 12 0.688 -9.853 1.362 81 2HA GLY 12 HA2 GLY 12 -0.232 -10.563 2.691 82 H MET 13 H MET 13 1.697 -7.504 2.861 83 HA MET 13 HA MET 13 -0.836 -6.002 3.320 84 1HB MET 13 HB2 MET 13 1.960 -5.049 3.210 85 2HB MET 13 HB1 MET 13 0.665 -4.151 3.640 86 1HG MET 13 HG2 MET 13 0.310 -5.893 5.389 87 2HG MET 13 HG1 MET 13 1.863 -6.305 5.097 88 1HE MET 13 HE1 MET 13 3.308 -3.501 4.581 89 2HE MET 13 HE2 MET 13 3.909 -3.214 6.226 90 3HE MET 13 HE3 MET 13 3.982 -4.849 5.528 91 H CYS 14 H CYS 14 -1.104 -3.894 2.075 92 HA CYS 14 HA CYS 14 -0.474 -4.269 -0.825 93 1HB CYS 14 HB2 CYS 14 -2.915 -3.039 0.252 94 2HB CYS 14 HB1 CYS 14 -2.629 -3.551 -1.272 95 H CYS 15 H CYS 15 -0.564 -2.128 -2.020 96 HA CYS 15 HA CYS 15 0.741 -0.037 -0.337 97 1HB CYS 15 HB2 CYS 15 2.078 -1.100 -2.055 98 2HB CYS 15 HB1 CYS 15 1.043 -0.600 -3.215 99 H SER 16 H SER 16 0.048 1.991 -0.360 100 HA SER 16 HA SER 16 -2.643 2.661 -1.115 101 1HB SER 16 HB2 SER 16 -1.537 3.581 0.805 102 2HB SER 16 HB1 SER 16 -0.376 4.279 -0.108 103 HG SER 16 HG SER 16 -2.088 5.624 0.706 104 H GLN 17 H GLN 17 -2.689 5.052 -1.919 105 HA GLN 17 HA GLN 17 -1.546 5.201 -4.659 106 1HB GLN 17 HB2 GLN 17 -3.633 6.864 -3.350 107 2HB GLN 17 HB1 GLN 17 -3.186 6.956 -4.919 108 1HG GLN 17 HG2 GLN 17 -5.084 5.766 -5.086 109 2HG GLN 17 HG1 GLN 17 -3.976 4.567 -5.018 110 1HE2 GLN 17 1HE2 GLN 17 -4.021 3.017 -3.314 111 2HE2 GLN 17 2HE2 GLN 17 -5.093 3.255 -1.935 112 1HN PFF 18 H PFF 18 -1.290 6.378 -1.386 113 HA PFF 18 HA PFF 18 0.368 8.700 -2.186 114 1HBC PFF 18 HB2 PFF 18 -0.519 7.664 0.528 115 2HBC PFF 18 HB3 PFF 18 0.404 9.140 0.248 116 HD1 PFF 18 HD1 PFF 18 -0.593 10.992 -1.188 117 HD2 PFF 18 HD2 PFF 18 -2.924 7.686 0.308 118 HE1 PFF 18 HE1 PFF 18 -2.678 12.255 -1.637 119 HE2 PFF 18 HE2 PFF 18 -5.006 8.969 -0.121 120 H GLY 19 H GLY 19 1.066 5.528 -2.170 121 1HA GLY 19 HA3 GLY 19 3.192 4.633 -2.454 122 2HA GLY 19 HA2 GLY 19 3.903 6.092 -1.775 123 1HN PFF 20 H PFF 20 1.584 4.834 0.415 124 HA PFF 20 HA PFF 20 3.697 3.489 2.006 125 1HBC PFF 20 HB2 PFF 20 1.065 4.751 2.816 126 2HBC PFF 20 HB3 PFF 20 2.292 4.121 3.898 127 HD1 PFF 20 HD1 PFF 20 1.413 6.869 1.608 128 HD2 PFF 20 HD2 PFF 20 4.371 5.397 4.344 129 HE1 PFF 20 HE1 PFF 20 2.284 9.181 1.904 130 HE2 PFF 20 HE2 PFF 20 5.261 7.691 4.617 131 H CYS 21 H CYS 21 3.061 1.669 3.375 132 HA CYS 21 HA CYS 21 1.162 -0.085 1.913 133 1HB CYS 21 HB2 CYS 21 3.284 -0.664 3.871 134 2HB CYS 21 HB1 CYS 21 2.319 -1.806 3.214 135 H GLY 22 H GLY 22 -0.405 -1.411 2.898 136 1HA GLY 22 HA3 GLY 22 -0.477 -1.901 5.694 137 2HA GLY 22 HA2 GLY 22 -1.677 -0.646 5.326 138 H LYS 23 H LYS 23 -2.843 -2.768 6.280 139 HA LYS 23 HA LYS 23 -3.884 -4.324 3.944 140 1HB LYS 23 HB2 LYS 23 -4.133 -4.817 6.854 141 2HB LYS 23 HB1 LYS 23 -4.891 -5.709 5.715 142 1HG LYS 23 HG2 LYS 23 -2.797 -6.423 4.858 143 2HG LYS 23 HG1 LYS 23 -2.019 -5.497 5.955 144 1HD LYS 23 HD2 LYS 23 -2.964 -6.806 7.719 145 2HD LYS 23 HD1 LYS 23 -3.718 -7.742 6.613 146 1HE LYS 23 HE2 LYS 23 -0.853 -7.509 6.656 147 2HE LYS 23 HE1 LYS 23 -1.619 -8.650 7.539 148 1HZ LYS 23 HZ1 LYS 23 -0.816 -9.488 5.470 149 2HZ LYS 23 HZ2 LYS 23 -2.456 -9.643 5.590 150 3HZ LYS 23 HZ3 LYS 23 -1.787 -8.460 4.662 151 H GLY 24 H GLY 24 -4.545 -1.521 5.240 152 1HA GLY 24 HA3 GLY 24 -7.443 -1.780 5.698 153 2HA GLY 24 HA2 GLY 24 -6.513 -0.275 5.741 154 HA PRO 25 HA PRO 25 -9.247 -1.153 1.903 155 1HB PRO 25 HB2 PRO 25 -10.762 1.109 2.150 156 2HB PRO 25 HB1 PRO 25 -11.208 -0.367 2.688 157 1HG PRO 25 HG2 PRO 25 -10.074 1.790 4.234 158 2HG PRO 25 HG1 PRO 25 -11.254 0.757 4.690 159 1HD PRO 25 HD2 PRO 25 -8.832 0.349 5.525 160 2HD PRO 25 HD1 PRO 25 -9.764 -0.934 5.135 161 H LYS 26 H LYS 26 -8.153 2.170 2.896 162 HA LYS 26 HA LYS 26 -7.614 3.014 0.225 163 1HB LYS 26 HB2 LYS 26 -6.589 3.923 2.845 164 2HB LYS 26 HB1 LYS 26 -6.209 4.677 1.447 165 1HG LYS 26 HG2 LYS 26 -8.850 4.464 2.577 166 2HG LYS 26 HG1 LYS 26 -7.973 5.836 2.458 167 1HD LYS 26 HD2 LYS 26 -9.275 4.429 0.313 168 2HD LYS 26 HD1 LYS 26 -9.531 5.976 0.770 169 1HE LYS 26 HE2 LYS 26 -7.405 6.596 -0.045 170 2HE LYS 26 HE1 LYS 26 -7.081 5.044 -0.437 171 1HZ LYS 26 HZ1 LYS 26 -8.939 5.158 -2.007 172 2HZ LYS 26 HZ2 LYS 26 -8.945 6.790 -1.747 173 3HZ LYS 26 HZ3 LYS 26 -7.606 6.023 -2.373 174 H TYR 27 H TYR 27 -5.746 0.847 2.208 175 HA TYR 27 HA TYR 27 -3.257 1.383 0.677 176 1HB TYR 27 HB2 TYR 27 -3.922 -0.620 2.742 177 2HB TYR 27 HB1 TYR 27 -2.450 -0.435 2.059 178 HD1 TYR 27 HD1 TYR 27 -1.201 1.750 2.315 179 HD2 TYR 27 HD2 TYR 27 -4.667 0.712 4.618 180 HE1 TYR 27 HE1 TYR 27 -0.421 3.253 4.156 181 HE2 TYR 27 HE2 TYR 27 -3.943 2.313 6.410 182 HH TYR 27 HH TYR 27 -0.849 4.025 6.244 183 H CYS 28 H CYS 28 -5.776 -1.114 1.076 184 HA CYS 28 HA CYS 28 -4.606 -2.560 -1.215 185 1HB CYS 28 HB2 CYS 28 -5.228 -3.440 1.096 186 2HB CYS 28 HB1 CYS 28 -6.731 -3.590 0.475 187 H GLY 29 H GLY 29 -8.095 -2.248 -0.354 188 1HA GLY 29 HA3 GLY 29 -8.799 -2.734 -3.116 189 2HA GLY 29 HA2 GLY 29 -9.909 -2.380 -1.794 190 H ARG 30 H ARG 30 -8.201 0.124 -1.398 191 HA ARG 30 HA ARG 30 -8.188 2.283 -1.728 192 1HB ARG 30 HB2 ARG 30 -7.206 2.950 -3.744 193 2HB ARG 30 HB1 ARG 30 -6.533 1.572 -3.181 194 1HG ARG 30 HG2 ARG 30 -7.959 0.457 -4.925 195 2HG ARG 30 HG1 ARG 30 -8.002 1.943 -5.601 196 1HD ARG 30 HD2 ARG 30 -6.190 0.782 -6.553 197 2HD ARG 30 HD1 ARG 30 -5.576 1.954 -5.595 198 HE ARG 30 HE ARG 30 -5.913 -0.701 -4.466 199 1HH1 ARG 30 2HH2 ARG 30 -3.573 1.878 -5.173 200 2HH1 ARG 30 1HH2 ARG 30 -2.462 1.211 -4.024 201 1HH2 ARG 30 2HH1 ARG 30 -4.484 -1.406 -3.102 202 2HH2 ARG 30 1HH1 ARG 30 -2.968 -0.599 -2.882 203 1HN NH2 31 1HN NH2 31 -11.610 2.589 -3.800 204 2HN NH2 31 2HN NH2 31 -10.788 1.034 -3.775 205 H1 NAG 32 H1 NAG 32 -6.386 16.395 2.181 206 H2 NAG 32 H2 NAG 32 -6.507 14.023 0.273 207 H3 NAG 32 H3 NAG 32 -5.404 14.087 3.108 208 H4 NAG 32 H4 NAG 32 -3.914 13.675 0.501 209 H5 NAG 32 H5 NAG 32 -3.993 16.161 2.260 210 1H6 NAG 32 1H6 NAG 32 -1.840 15.973 1.205 211 2H6 NAG 32 2H6 NAG 32 -2.775 17.185 0.326 212 1H8 NAG 32 1H8 NAG 32 -9.666 12.748 3.328 213 2H8 NAG 32 2H8 NAG 32 -9.761 14.036 4.555 214 3H8 NAG 32 3H8 NAG 32 -10.362 14.349 2.906 215 HN2 NAG 32 HN2 NAG 32 -8.553 13.577 1.304 216 HO1 NAG 32 HO1 NAG 32 -6.747 16.971 -0.267 217 HO3 NAG 32 HO3 NAG 32 -4.906 12.010 2.564 218 HO6 NAG 32 HO6 NAG 32 -1.955 14.618 -0.458 219 H1 NAG 33 H1 NAG 33 -2.441 12.081 1.334 220 H2 NAG 33 H2 NAG 33 -1.148 12.848 3.979 221 H3 NAG 33 H3 NAG 33 -0.437 10.587 2.084 222 H4 NAG 33 H4 NAG 33 -1.646 10.508 4.880 223 H5 NAG 33 H5 NAG 33 -2.934 9.963 2.183 224 1H6 NAG 33 1H6 NAG 33 -3.868 8.502 3.888 225 2H6 NAG 33 2H6 NAG 33 -5.025 9.781 3.506 226 1H8 NAG 33 1H8 NAG 33 2.141 13.658 0.701 227 2H8 NAG 33 2H8 NAG 33 1.194 14.614 -0.465 228 3H8 NAG 33 3H8 NAG 33 1.431 15.231 1.189 229 HN2 NAG 33 HN2 NAG 33 0.848 13.447 2.785 230 HO3 NAG 33 HO3 NAG 33 0.820 10.034 3.913 231 HO6 NAG 33 HO6 NAG 33 -4.318 10.868 5.390 232 H1 NAG 34 H1 NAG 34 -1.439 8.390 5.787 233 H2 NAG 34 H2 NAG 34 0.187 6.576 3.966 234 H3 NAG 34 H3 NAG 34 -0.406 6.436 6.955 235 H4 NAG 34 H4 NAG 34 2.183 7.014 5.438 236 H5 NAG 34 H5 NAG 34 0.417 8.718 7.250 237 1H6 NAG 34 1H6 NAG 34 3.035 9.345 5.799 238 2H6 NAG 34 2H6 NAG 34 2.736 9.445 7.542 239 1H8 NAG 34 1H8 NAG 34 -3.564 4.090 3.111 240 2H8 NAG 34 2H8 NAG 34 -4.087 5.106 4.487 241 3H8 NAG 34 3H8 NAG 34 -4.322 5.675 2.816 242 HN2 NAG 34 HN2 NAG 34 -2.169 5.502 5.424 243 HO4 NAG 34 HO4 NAG 34 3.167 6.493 7.283 244 HO3 NAG 34 HO3 NAG 34 1.384 4.965 6.711 245 HO6 NAG 34 HO6 NAG 34 1.429 10.986 5.507 Start of MODEL 8 1 1H VAL 1 H1 VAL 1 5.334 9.086 5.334 2 2H VAL 1 H2 VAL 1 3.849 8.345 5.456 3 3H VAL 1 H3 VAL 1 5.037 7.729 4.456 4 HA VAL 1 HA VAL 1 6.363 7.001 6.098 5 HB VAL 1 HB VAL 1 6.169 8.916 7.580 6 1HG1 VAL 1 1HG1 VAL 1 3.516 7.736 8.517 7 2HG1 VAL 1 2HG1 VAL 1 4.416 9.035 9.307 8 3HG1 VAL 1 3HG1 VAL 1 3.758 9.301 7.696 9 1HG2 VAL 1 1HG2 VAL 1 7.161 6.767 8.364 10 2HG2 VAL 1 2HG2 VAL 1 6.484 7.760 9.660 11 3HG2 VAL 1 3HG2 VAL 1 5.592 6.342 9.100 12 H GLY 2 H GLY 2 6.082 4.932 7.076 13 1HA GLY 2 HA3 GLY 2 4.992 2.838 7.040 14 2HA GLY 2 HA2 GLY 2 3.427 3.652 6.825 15 H GLU 3 H GLU 3 6.528 2.964 5.151 16 HA GLU 3 HA GLU 3 5.328 3.689 2.543 17 1HB GLU 3 HB2 GLU 3 8.096 2.906 3.222 18 2HB GLU 3 HB1 GLU 3 7.590 3.571 1.818 19 1HG GLU 3 HG2 GLU 3 7.666 4.914 4.371 20 2HG GLU 3 HG1 GLU 3 8.641 5.236 3.101 21 H CYS 4 H CYS 4 5.248 2.254 0.757 22 HA CYS 4 HA CYS 4 5.907 -0.630 1.252 23 1HB CYS 4 HB2 CYS 4 4.819 0.857 -1.061 24 2HB CYS 4 HB1 CYS 4 5.407 -0.659 -1.206 25 H VAL 5 H VAL 5 7.477 -1.416 -0.564 26 HA VAL 5 HA VAL 5 9.844 0.323 -0.819 27 HB VAL 5 HB VAL 5 9.249 -2.339 -2.167 28 1HG1 VAL 5 1HG1 VAL 5 11.884 -0.909 -1.492 29 2HG1 VAL 5 2HG1 VAL 5 11.745 -2.515 -2.235 30 3HG1 VAL 5 3HG1 VAL 5 11.226 -1.088 -3.130 31 1HG2 VAL 5 1HG2 VAL 5 10.632 -3.328 -0.335 32 2HG2 VAL 5 2HG2 VAL 5 10.590 -1.764 0.503 33 3HG2 VAL 5 3HG2 VAL 5 9.095 -2.688 0.243 34 H ARG 6 H ARG 6 7.854 1.690 -1.610 35 HA ARG 6 HA ARG 6 6.357 2.517 -3.072 36 1HB ARG 6 HB2 ARG 6 9.016 3.252 -3.839 37 2HB ARG 6 HB1 ARG 6 7.923 3.504 -5.025 38 1HG ARG 6 HG2 ARG 6 7.999 5.440 -3.707 39 2HG ARG 6 HG1 ARG 6 6.556 4.717 -3.457 40 1HD ARG 6 HD2 ARG 6 7.544 3.761 -1.423 41 2HD ARG 6 HD1 ARG 6 8.778 4.808 -1.641 42 HE ARG 6 HE ARG 6 7.088 5.610 0.023 43 1HH1 ARG 6 2HH1 ARG 6 6.413 6.644 -3.317 44 2HH1 ARG 6 1HH1 ARG 6 5.003 7.466 -2.740 45 1HH2 ARG 6 2HH2 ARG 6 5.298 6.490 0.498 46 2HH2 ARG 6 1HH2 ARG 6 4.404 7.381 -0.688 47 H GLY 7 H GLY 7 6.377 -0.034 -3.201 48 1HA GLY 7 HA3 GLY 7 4.662 -0.476 -5.471 49 2HA GLY 7 HA2 GLY 7 6.221 -1.208 -5.842 50 H ARG 8 H ARG 8 6.819 -2.298 -3.191 51 HA ARG 8 HA ARG 8 4.481 -4.081 -2.699 52 1HB ARG 8 HB2 ARG 8 7.001 -4.792 -3.770 53 2HB ARG 8 HB1 ARG 8 6.809 -5.548 -2.335 54 1HG ARG 8 HG2 ARG 8 4.920 -5.740 -4.499 55 2HG ARG 8 HG1 ARG 8 6.057 -6.871 -4.190 56 1HD ARG 8 HD2 ARG 8 4.307 -7.822 -3.178 57 2HD ARG 8 HD1 ARG 8 4.906 -6.965 -1.923 58 HE ARG 8 HE ARG 8 2.929 -5.634 -3.504 59 1HH1 ARG 8 2HH2 ARG 8 3.384 -7.336 -0.423 60 2HH1 ARG 8 1HH2 ARG 8 1.752 -7.003 0.054 61 1HH2 ARG 8 2HH1 ARG 8 0.868 -5.311 -2.758 62 2HH2 ARG 8 1HH1 ARG 8 0.398 -5.911 -1.203 63 H CYS 9 H CYS 9 4.745 -5.436 -0.730 64 HA CYS 9 HA CYS 9 6.327 -4.416 1.470 65 1HB CYS 9 HB2 CYS 9 4.142 -3.058 1.035 66 2HB CYS 9 HB1 CYS 9 3.421 -4.302 1.810 67 HA PRO 10 HA PRO 10 5.933 -8.574 2.662 68 1HB PRO 10 HB2 PRO 10 4.830 -7.963 5.322 69 2HB PRO 10 HB1 PRO 10 6.122 -8.884 4.932 70 1HG PRO 10 HG2 PRO 10 6.575 -6.491 5.774 71 2HG PRO 10 HG1 PRO 10 7.451 -7.021 4.502 72 1HD PRO 10 HD2 PRO 10 5.082 -5.362 4.423 73 2HD PRO 10 HD1 PRO 10 6.460 -5.148 3.573 74 H SER 11 H SER 11 4.666 -10.415 3.774 75 HA SER 11 HA SER 11 2.696 -11.464 2.480 76 1HB SER 11 HB2 SER 11 2.804 -11.555 5.427 77 2HB SER 11 HB1 SER 11 2.380 -12.758 4.408 78 HG SER 11 HG SER 11 4.503 -13.049 5.067 79 H GLY 12 H GLY 12 0.920 -10.447 1.670 80 1HA GLY 12 HA3 GLY 12 -1.348 -9.954 1.708 81 2HA GLY 12 HA2 GLY 12 -1.345 -10.190 3.456 82 H MET 13 H MET 13 1.046 -7.872 2.964 83 HA MET 13 HA MET 13 -0.820 -5.678 3.604 84 1HB MET 13 HB2 MET 13 2.094 -5.607 3.109 85 2HB MET 13 HB1 MET 13 1.193 -4.405 3.751 86 1HG MET 13 HG2 MET 13 1.632 -6.952 5.014 87 2HG MET 13 HG1 MET 13 2.407 -5.576 5.428 88 1HE MET 13 HE1 MET 13 0.971 -7.532 7.460 89 2HE MET 13 HE2 MET 13 1.858 -6.076 7.975 90 3HE MET 13 HE3 MET 13 0.196 -6.352 8.544 91 H CYS 14 H CYS 14 -0.762 -3.672 2.336 92 HA CYS 14 HA CYS 14 -0.447 -4.123 -0.593 93 1HB CYS 14 HB2 CYS 14 -2.868 -2.912 0.508 94 2HB CYS 14 HB1 CYS 14 -2.644 -3.626 -0.943 95 H CYS 15 H CYS 15 -0.738 -2.013 -1.830 96 HA CYS 15 HA CYS 15 0.598 0.142 -0.311 97 1HB CYS 15 HB2 CYS 15 0.860 -0.725 -3.121 98 2HB CYS 15 HB1 CYS 15 1.678 0.513 -2.438 99 H SER 16 H SER 16 -0.455 2.130 -0.316 100 HA SER 16 HA SER 16 -2.808 2.470 -2.079 101 1HB SER 16 HB2 SER 16 -2.931 4.661 -1.133 102 2HB SER 16 HB1 SER 16 -2.846 3.551 0.063 103 HG SER 16 HG SER 16 -1.575 5.093 0.729 104 H GLN 17 H GLN 17 -2.863 4.222 -3.729 105 HA GLN 17 HA GLN 17 -0.715 3.941 -5.507 106 1HB GLN 17 HB2 GLN 17 -1.960 5.336 -6.886 107 2HB GLN 17 HB1 GLN 17 -3.048 4.463 -6.036 108 1HG GLN 17 HG2 GLN 17 -3.097 6.422 -4.490 109 2HG GLN 17 HG1 GLN 17 -2.412 7.241 -5.726 110 1HE2 GLN 17 1HE2 GLN 17 -3.634 7.500 -7.811 111 2HE2 GLN 17 2HE2 GLN 17 -5.384 7.351 -7.671 112 1HN PFF 18 H PFF 18 -0.718 5.926 -2.816 113 HA PFF 18 HA PFF 18 1.197 7.909 -3.883 114 1HBC PFF 18 HB2 PFF 18 -0.060 7.440 -1.168 115 2HBC PFF 18 HB3 PFF 18 1.072 8.754 -1.537 116 HD1 PFF 18 HD1 PFF 18 -2.376 7.475 -1.998 117 HD2 PFF 18 HD2 PFF 18 0.425 10.560 -3.099 118 HE1 PFF 18 HE1 PFF 18 -4.099 8.553 -3.431 119 HE2 PFF 18 HE2 PFF 18 -1.317 11.640 -4.495 120 H GLY 19 H GLY 19 1.406 4.713 -3.017 121 1HA GLY 19 HA3 GLY 19 3.310 3.429 -2.957 122 2HA GLY 19 HA2 GLY 19 4.306 4.843 -2.656 123 1HN PFF 20 H PFF 20 1.616 4.632 -0.501 124 HA PFF 20 HA PFF 20 3.428 3.939 1.719 125 1HBC PFF 20 HB2 PFF 20 0.559 4.912 1.681 126 2HBC PFF 20 HB3 PFF 20 1.636 4.816 3.071 127 HD1 PFF 20 HD1 PFF 20 4.020 6.031 2.571 128 HD2 PFF 20 HD2 PFF 20 0.203 7.135 0.963 129 HE1 PFF 20 HE1 PFF 20 4.840 8.370 2.238 130 HE2 PFF 20 HE2 PFF 20 0.988 9.478 0.696 131 H CYS 21 H CYS 21 2.797 2.333 3.314 132 HA CYS 21 HA CYS 21 1.445 0.014 2.007 133 1HB CYS 21 HB2 CYS 21 3.755 -0.294 2.473 134 2HB CYS 21 HB1 CYS 21 3.584 0.157 4.033 135 H GLY 22 H GLY 22 -0.117 -1.161 3.034 136 1HA GLY 22 HA3 GLY 22 0.030 -1.626 5.801 137 2HA GLY 22 HA2 GLY 22 -1.285 -0.465 5.578 138 H LYS 23 H LYS 23 -2.089 -2.735 6.645 139 HA LYS 23 HA LYS 23 -2.882 -4.679 4.648 140 1HB LYS 23 HB2 LYS 23 -2.522 -5.201 7.025 141 2HB LYS 23 HB1 LYS 23 -3.846 -4.333 7.430 142 1HG LYS 23 HG2 LYS 23 -4.484 -6.550 7.470 143 2HG LYS 23 HG1 LYS 23 -5.169 -5.900 6.138 144 1HD LYS 23 HD2 LYS 23 -2.828 -6.867 5.268 145 2HD LYS 23 HD1 LYS 23 -3.387 -8.019 6.282 146 1HE LYS 23 HE2 LYS 23 -4.286 -8.665 4.307 147 2HE LYS 23 HE1 LYS 23 -5.515 -7.819 4.971 148 1HZ LYS 23 HZ1 LYS 23 -5.232 -7.196 2.713 149 2HZ LYS 23 HZ2 LYS 23 -4.887 -5.914 3.686 150 3HZ LYS 23 HZ3 LYS 23 -3.664 -6.837 3.025 151 H GLY 24 H GLY 24 -4.230 -1.938 5.889 152 1HA GLY 24 HA3 GLY 24 -7.007 -2.651 5.719 153 2HA GLY 24 HA2 GLY 24 -6.378 -1.066 6.179 154 HA PRO 25 HA PRO 25 -8.825 -1.491 2.138 155 1HB PRO 25 HB2 PRO 25 -10.685 0.415 2.726 156 2HB PRO 25 HB1 PRO 25 -10.881 -1.182 3.005 157 1HG PRO 25 HG2 PRO 25 -10.090 0.841 4.908 158 2HG PRO 25 HG1 PRO 25 -11.105 -0.413 5.160 159 1HD PRO 25 HD2 PRO 25 -8.652 -0.604 5.976 160 2HD PRO 25 HD1 PRO 25 -9.380 -1.923 5.346 161 H LYS 26 H LYS 26 -8.057 1.679 3.751 162 HA LYS 26 HA LYS 26 -7.892 3.162 1.344 163 1HB LYS 26 HB2 LYS 26 -6.455 3.493 3.907 164 2HB LYS 26 HB1 LYS 26 -6.461 4.616 2.721 165 1HG LYS 26 HG2 LYS 26 -8.784 3.773 4.185 166 2HG LYS 26 HG1 LYS 26 -7.986 5.175 4.438 167 1HD LYS 26 HD2 LYS 26 -9.380 4.564 2.002 168 2HD LYS 26 HD1 LYS 26 -10.026 5.453 3.210 169 1HE LYS 26 HE2 LYS 26 -9.362 7.047 1.775 170 2HE LYS 26 HE1 LYS 26 -8.099 6.989 2.809 171 1HZ LYS 26 HZ1 LYS 26 -8.014 5.435 0.420 172 2HZ LYS 26 HZ2 LYS 26 -7.698 7.013 0.328 173 3HZ LYS 26 HZ3 LYS 26 -6.716 6.095 1.258 174 H TYR 27 H TYR 27 -5.665 0.757 2.524 175 HA TYR 27 HA TYR 27 -3.575 1.620 0.578 176 1HB TYR 27 HB2 TYR 27 -3.606 -0.531 2.599 177 2HB TYR 27 HB1 TYR 27 -2.347 -0.175 1.621 178 HD1 TYR 27 HD1 TYR 27 -1.275 2.152 1.758 179 HD2 TYR 27 HD2 TYR 27 -3.873 0.477 4.745 180 HE1 TYR 27 HE1 TYR 27 -0.248 3.629 3.490 181 HE2 TYR 27 HE2 TYR 27 -2.865 2.018 6.457 182 HH TYR 27 HH TYR 27 -0.323 4.374 5.634 183 H CYS 28 H CYS 28 -5.688 -1.133 1.405 184 HA CYS 28 HA CYS 28 -4.667 -2.586 -0.901 185 1HB CYS 28 HB2 CYS 28 -5.132 -3.286 1.527 186 2HB CYS 28 HB1 CYS 28 -6.655 -3.568 1.012 187 H GLY 29 H GLY 29 -7.701 -1.014 -0.119 188 1HA GLY 29 HA3 GLY 29 -8.766 -1.799 -2.820 189 2HA GLY 29 HA2 GLY 29 -9.799 -1.569 -1.409 190 H ARG 30 H ARG 30 -7.578 0.711 -0.949 191 HA ARG 30 HA ARG 30 -7.154 2.873 -1.343 192 1HB ARG 30 HB2 ARG 30 -8.562 2.461 -3.913 193 2HB ARG 30 HB1 ARG 30 -7.880 3.885 -3.493 194 1HG ARG 30 HG2 ARG 30 -6.402 1.419 -3.734 195 2HG ARG 30 HG1 ARG 30 -6.441 2.564 -4.898 196 1HD ARG 30 HD2 ARG 30 -5.280 2.893 -2.276 197 2HD ARG 30 HD1 ARG 30 -4.443 2.797 -3.674 198 HE ARG 30 HE ARG 30 -5.481 4.934 -4.363 199 1HH1 ARG 30 2HH2 ARG 30 -5.293 4.352 -0.873 200 2HH1 ARG 30 1HH2 ARG 30 -5.680 6.008 -0.547 201 1HH2 ARG 30 2HH1 ARG 30 -5.932 6.926 -3.861 202 2HH2 ARG 30 1HH1 ARG 30 -6.034 7.439 -2.210 203 1HN NH2 31 1HN NH2 31 -10.560 2.193 -2.221 204 2HN NH2 31 2HN NH2 31 -11.201 3.489 -1.206 205 H1 NAG 32 H1 NAG 32 -9.041 11.609 -2.305 206 H2 NAG 32 H2 NAG 32 -6.941 10.076 -3.884 207 H3 NAG 32 H3 NAG 32 -7.299 10.328 -0.875 208 H4 NAG 32 H4 NAG 32 -5.079 11.390 -2.669 209 H5 NAG 32 H5 NAG 32 -7.301 12.968 -1.328 210 1H6 NAG 32 1H6 NAG 32 -5.278 14.304 -1.512 211 2H6 NAG 32 2H6 NAG 32 -6.454 14.840 -2.717 212 1H8 NAG 32 1H8 NAG 32 -10.800 7.727 -2.462 213 2H8 NAG 32 2H8 NAG 32 -9.764 6.680 -3.479 214 3H8 NAG 32 3H8 NAG 32 -9.952 6.341 -1.741 215 HN2 NAG 32 HN2 NAG 32 -9.270 9.083 -3.724 216 HO1 NAG 32 HO1 NAG 32 -8.856 12.243 -4.756 217 HO3 NAG 32 HO3 NAG 32 -5.482 9.172 -0.857 218 HO6 NAG 32 HO6 NAG 32 -4.075 13.350 -3.085 219 H1 NAG 33 H1 NAG 33 -3.531 10.536 -1.137 220 H2 NAG 33 H2 NAG 33 -3.556 12.010 1.519 221 H3 NAG 33 H3 NAG 33 -1.542 10.080 0.303 222 H4 NAG 33 H4 NAG 33 -3.314 9.895 2.800 223 H5 NAG 33 H5 NAG 33 -3.328 8.394 0.146 224 1H6 NAG 33 1H6 NAG 33 -5.775 8.288 1.790 225 2H6 NAG 33 2H6 NAG 33 -4.423 7.686 2.722 226 1H8 NAG 33 1H8 NAG 33 -1.220 14.492 -2.502 227 2H8 NAG 33 2H8 NAG 33 -1.432 15.113 -0.848 228 3H8 NAG 33 3H8 NAG 33 -0.164 13.895 -1.198 229 HN2 NAG 33 HN2 NAG 33 -1.550 13.170 0.686 230 HO3 NAG 33 HO3 NAG 33 -0.489 10.406 2.203 231 HO6 NAG 33 HO6 NAG 33 -4.086 6.115 1.280 232 H1 NAG 34 H1 NAG 34 -2.077 8.725 4.370 233 H2 NAG 34 H2 NAG 34 -0.310 6.608 3.120 234 H3 NAG 34 H3 NAG 34 -0.372 7.275 6.065 235 H4 NAG 34 H4 NAG 34 1.804 7.970 4.036 236 H5 NAG 34 H5 NAG 34 -0.260 9.675 5.502 237 1H6 NAG 34 1H6 NAG 34 1.931 10.593 3.584 238 2H6 NAG 34 2H6 NAG 34 1.891 10.924 5.325 239 1H8 NAG 34 1H8 NAG 34 -4.757 5.454 3.987 240 2H8 NAG 34 2H8 NAG 34 -4.127 3.918 3.283 241 3H8 NAG 34 3H8 NAG 34 -3.711 4.395 4.945 242 HN2 NAG 34 HN2 NAG 34 -2.129 5.793 5.235 243 HO4 NAG 34 HO4 NAG 34 2.236 7.539 6.478 244 HO3 NAG 34 HO3 NAG 34 1.696 5.861 5.504 245 HO6 NAG 34 HO6 NAG 34 -0.106 11.747 3.436 Start of MODEL 9 1 1H VAL 1 H1 VAL 1 10.851 4.814 1.113 2 2H VAL 1 H2 VAL 1 11.885 3.805 0.366 3 3H VAL 1 H3 VAL 1 12.290 4.484 1.853 4 HA VAL 1 HA VAL 1 10.043 2.666 1.354 5 HB VAL 1 HB VAL 1 12.167 1.472 1.226 6 1HG1 VAL 1 1HG1 VAL 1 12.679 2.391 4.092 7 2HG1 VAL 1 2HG1 VAL 1 13.616 1.198 3.183 8 3HG1 VAL 1 3HG1 VAL 1 13.613 2.885 2.661 9 1HG2 VAL 1 1HG2 VAL 1 10.697 0.824 3.813 10 2HG2 VAL 1 2HG2 VAL 1 10.126 0.411 2.179 11 3HG2 VAL 1 3HG2 VAL 1 11.637 -0.279 2.800 12 H GLY 2 H GLY 2 8.657 2.430 2.961 13 1HA GLY 2 HA3 GLY 2 7.874 3.279 5.307 14 2HA GLY 2 HA2 GLY 2 8.538 4.823 4.710 15 H GLU 3 H GLU 3 8.012 4.850 2.079 16 HA GLU 3 HA GLU 3 5.260 4.001 1.486 17 1HB GLU 3 HB2 GLU 3 5.642 4.891 -0.541 18 2HB GLU 3 HB1 GLU 3 6.566 5.886 0.367 19 1HG GLU 3 HG2 GLU 3 7.546 3.827 -1.372 20 2HG GLU 3 HG1 GLU 3 7.634 5.433 -1.654 21 H CYS 4 H CYS 4 5.091 2.221 -0.207 22 HA CYS 4 HA CYS 4 6.371 -0.162 0.545 23 1HB CYS 4 HB2 CYS 4 5.103 0.708 -1.955 24 2HB CYS 4 HB1 CYS 4 5.790 -0.771 -1.864 25 H VAL 5 H VAL 5 7.692 -1.544 -0.858 26 HA VAL 5 HA VAL 5 10.254 -0.272 -1.557 27 HB VAL 5 HB VAL 5 9.453 -3.206 -1.687 28 1HG1 VAL 5 1HG1 VAL 5 12.181 -1.818 -1.427 29 2HG1 VAL 5 2HG1 VAL 5 11.912 -3.570 -1.421 30 3HG1 VAL 5 3HG1 VAL 5 11.605 -2.644 -2.887 31 1HG2 VAL 5 1HG2 VAL 5 10.599 -3.398 0.522 32 2HG2 VAL 5 2HG2 VAL 5 10.692 -1.626 0.600 33 3HG2 VAL 5 3HG2 VAL 5 9.116 -2.450 0.611 34 H ARG 6 H ARG 6 8.519 0.802 -3.088 35 HA ARG 6 HA ARG 6 7.771 1.279 -5.192 36 1HB ARG 6 HB2 ARG 6 10.517 0.324 -5.721 37 2HB ARG 6 HB1 ARG 6 9.613 1.084 -6.850 38 1HG ARG 6 HG2 ARG 6 10.729 2.836 -5.989 39 2HG ARG 6 HG1 ARG 6 9.377 2.866 -5.072 40 1HD ARG 6 HD2 ARG 6 10.705 1.541 -3.429 41 2HD ARG 6 HD1 ARG 6 12.007 2.043 -4.277 42 HE ARG 6 HE ARG 6 10.522 3.603 -2.397 43 1HH1 ARG 6 2HH2 ARG 6 12.554 4.003 -5.267 44 2HH1 ARG 6 1HH2 ARG 6 12.885 5.650 -4.847 45 1HH2 ARG 6 2HH1 ARG 6 10.977 5.598 -1.955 46 2HH2 ARG 6 1HH1 ARG 6 11.998 6.546 -2.984 47 H GLY 7 H GLY 7 6.822 -0.937 -4.251 48 1HA GLY 7 HA3 GLY 7 5.160 -1.865 -6.207 49 2HA GLY 7 HA2 GLY 7 6.531 -2.949 -6.434 50 H ARG 8 H ARG 8 7.020 -3.075 -3.373 51 HA ARG 8 HA ARG 8 4.532 -4.501 -2.561 52 1HB ARG 8 HB2 ARG 8 7.263 -5.515 -2.884 53 2HB ARG 8 HB1 ARG 8 6.433 -6.060 -1.586 54 1HG ARG 8 HG2 ARG 8 5.744 -6.455 -4.345 55 2HG ARG 8 HG1 ARG 8 6.154 -7.614 -3.269 56 1HD ARG 8 HD2 ARG 8 3.665 -6.201 -3.428 57 2HD ARG 8 HD1 ARG 8 3.892 -7.815 -3.535 58 HE ARG 8 HE ARG 8 4.640 -7.311 -0.968 59 1HH1 ARG 8 2HH2 ARG 8 1.707 -6.561 -2.787 60 2HH1 ARG 8 1HH2 ARG 8 0.730 -6.659 -1.361 61 1HH2 ARG 8 2HH1 ARG 8 3.274 -7.369 0.785 62 2HH2 ARG 8 1HH1 ARG 8 1.577 -7.095 0.569 63 H CYS 9 H CYS 9 4.453 -5.125 -0.396 64 HA CYS 9 HA CYS 9 6.380 -4.040 1.494 65 1HB CYS 9 HB2 CYS 9 3.651 -3.197 1.398 66 2HB CYS 9 HB1 CYS 9 3.988 -3.917 2.824 67 HA PRO 10 HA PRO 10 6.258 -8.032 3.277 68 1HB PRO 10 HB2 PRO 10 4.806 -7.103 5.670 69 2HB PRO 10 HB1 PRO 10 6.137 -8.045 5.581 70 1HG PRO 10 HG2 PRO 10 6.488 -5.548 6.093 71 2HG PRO 10 HG1 PRO 10 7.501 -6.242 5.017 72 1HD PRO 10 HD2 PRO 10 5.184 -4.619 4.447 73 2HD PRO 10 HD1 PRO 10 6.633 -4.571 3.694 74 H SER 11 H SER 11 4.924 -9.725 4.615 75 HA SER 11 HA SER 11 3.357 -11.197 3.215 76 1HB SER 11 HB2 SER 11 2.815 -10.784 6.077 77 2HB SER 11 HB1 SER 11 2.738 -12.180 5.233 78 HG SER 11 HG SER 11 4.677 -12.118 6.337 79 H GLY 12 H GLY 12 1.863 -10.356 1.843 80 1HA GLY 12 HA3 GLY 12 -0.274 -9.806 1.126 81 2HA GLY 12 HA2 GLY 12 -0.837 -10.373 2.699 82 H MET 13 H MET 13 1.416 -7.633 2.585 83 HA MET 13 HA MET 13 -0.712 -5.717 3.347 84 1HB MET 13 HB2 MET 13 2.099 -5.245 2.526 85 2HB MET 13 HB1 MET 13 1.111 -4.155 3.234 86 1HG MET 13 HG2 MET 13 2.017 -6.555 4.528 87 2HG MET 13 HG1 MET 13 2.705 -5.092 4.756 88 1HE MET 13 HE1 MET 13 2.636 -5.274 7.350 89 2HE MET 13 HE2 MET 13 1.160 -5.725 8.230 90 3HE MET 13 HE3 MET 13 1.943 -6.901 7.147 91 H CYS 14 H CYS 14 -0.942 -3.659 1.984 92 HA CYS 14 HA CYS 14 -0.184 -3.987 -0.881 93 1HB CYS 14 HB2 CYS 14 -2.763 -2.958 0.113 94 2HB CYS 14 HB1 CYS 14 -2.266 -2.920 -1.442 95 H CYS 15 H CYS 15 -0.258 -1.758 -1.975 96 HA CYS 15 HA CYS 15 0.785 0.346 -0.170 97 1HB CYS 15 HB2 CYS 15 0.900 0.165 -3.110 98 2HB CYS 15 HB1 CYS 15 1.839 1.069 -2.125 99 H SER 16 H SER 16 -0.108 2.526 -0.376 100 HA SER 16 HA SER 16 -2.869 2.602 -1.457 101 1HB SER 16 HB2 SER 16 -3.207 4.388 -0.061 102 2HB SER 16 HB1 SER 16 -2.297 3.383 0.849 103 HG SER 16 HG SER 16 -1.410 5.300 1.152 104 H GLN 17 H GLN 17 -3.551 4.748 -2.457 105 HA GLN 17 HA GLN 17 -1.945 5.625 -4.594 106 1HB GLN 17 HB2 GLN 17 -3.980 7.151 -3.076 107 2HB GLN 17 HB1 GLN 17 -3.421 7.551 -4.557 108 1HG GLN 17 HG2 GLN 17 -5.284 6.519 -5.180 109 2HG GLN 17 HG1 GLN 17 -4.297 5.219 -5.134 110 1HE2 GLN 17 1HE2 GLN 17 -7.102 6.674 -3.772 111 2HE2 GLN 17 2HE2 GLN 17 -7.387 5.368 -2.623 112 1HN PFF 18 H PFF 18 -1.256 6.145 -1.261 113 HA PFF 18 HA PFF 18 0.451 8.511 -1.887 114 1HBC PFF 18 HB2 PFF 18 -0.374 7.294 0.750 115 2HBC PFF 18 HB3 PFF 18 0.487 8.815 0.547 116 HD1 PFF 18 HD1 PFF 18 -0.871 10.501 -1.185 117 HD2 PFF 18 HD2 PFF 18 -2.676 7.292 1.051 118 HE1 PFF 18 HE1 PFF 18 -3.125 11.312 -1.827 119 HE2 PFF 18 HE2 PFF 18 -4.914 8.101 0.395 120 H GLY 19 H GLY 19 0.799 5.317 -2.266 121 1HA GLY 19 HA3 GLY 19 2.688 4.032 -2.483 122 2HA GLY 19 HA2 GLY 19 3.675 5.381 -1.915 123 1HN PFF 20 H PFF 20 2.388 5.671 0.645 124 HA PFF 20 HA PFF 20 3.449 3.866 2.474 125 1HBC PFF 20 HB2 PFF 20 0.715 5.199 2.544 126 2HBC PFF 20 HB3 PFF 20 1.633 4.634 3.941 127 HD1 PFF 20 HD1 PFF 20 4.308 5.613 3.546 128 HD2 PFF 20 HD2 PFF 20 0.609 7.588 2.622 129 HE1 PFF 20 HE1 PFF 20 5.311 7.786 4.200 130 HE2 PFF 20 HE2 PFF 20 1.660 9.770 3.107 131 H CYS 21 H CYS 21 2.476 2.084 3.774 132 HA CYS 21 HA CYS 21 0.645 0.460 2.072 133 1HB CYS 21 HB2 CYS 21 2.177 -1.182 1.947 134 2HB CYS 21 HB1 CYS 21 3.114 0.147 1.787 135 H GLY 22 H GLY 22 -0.294 -1.418 2.989 136 1HA GLY 22 HA3 GLY 22 -0.268 -2.239 5.678 137 2HA GLY 22 HA2 GLY 22 -1.403 -0.877 5.581 138 H LYS 23 H LYS 23 -2.804 -2.834 6.296 139 HA LYS 23 HA LYS 23 -3.893 -4.255 3.907 140 1HB LYS 23 HB2 LYS 23 -4.265 -4.821 6.792 141 2HB LYS 23 HB1 LYS 23 -4.949 -5.684 5.586 142 1HG LYS 23 HG2 LYS 23 -2.813 -6.367 4.834 143 2HG LYS 23 HG1 LYS 23 -2.100 -5.458 5.989 144 1HD LYS 23 HD2 LYS 23 -3.137 -6.841 7.666 145 2HD LYS 23 HD1 LYS 23 -3.743 -7.784 6.479 146 1HE LYS 23 HE2 LYS 23 -0.907 -7.363 6.758 147 2HE LYS 23 HE1 LYS 23 -1.658 -8.600 7.515 148 1HZ LYS 23 HZ1 LYS 23 -2.231 -9.574 5.499 149 2HZ LYS 23 HZ2 LYS 23 -1.743 -8.255 4.661 150 3HZ LYS 23 HZ3 LYS 23 -0.625 -9.202 5.402 151 H GLY 24 H GLY 24 -4.538 -1.530 5.469 152 1HA GLY 24 HA3 GLY 24 -7.432 -1.772 5.823 153 2HA GLY 24 HA2 GLY 24 -6.505 -0.269 5.957 154 HA PRO 25 HA PRO 25 -9.412 -0.947 2.151 155 1HB PRO 25 HB2 PRO 25 -10.236 1.728 3.106 156 2HB PRO 25 HB1 PRO 25 -11.131 0.606 2.326 157 1HG PRO 25 HG2 PRO 25 -11.303 0.702 4.901 158 2HG PRO 25 HG1 PRO 25 -11.234 -0.770 4.197 159 1HD PRO 25 HD2 PRO 25 -9.120 0.632 5.543 160 2HD PRO 25 HD1 PRO 25 -9.389 -0.979 5.520 161 H LYS 26 H LYS 26 -8.051 2.363 2.810 162 HA LYS 26 HA LYS 26 -7.587 2.887 0.044 163 1HB LYS 26 HB2 LYS 26 -6.497 4.136 2.497 164 2HB LYS 26 HB1 LYS 26 -6.234 4.732 0.999 165 1HG LYS 26 HG2 LYS 26 -8.564 5.038 0.692 166 2HG LYS 26 HG1 LYS 26 -8.855 4.391 2.163 167 1HD LYS 26 HD2 LYS 26 -9.047 6.698 2.373 168 2HD LYS 26 HD1 LYS 26 -7.681 6.252 3.151 169 1HE LYS 26 HE2 LYS 26 -6.365 7.005 1.351 170 2HE LYS 26 HE1 LYS 26 -7.703 7.346 0.479 171 1HZ LYS 26 HZ1 LYS 26 -6.960 8.692 2.927 172 2HZ LYS 26 HZ2 LYS 26 -6.843 9.389 1.482 173 3HZ LYS 26 HZ3 LYS 26 -8.302 9.039 2.021 174 H TYR 27 H TYR 27 -5.750 0.833 2.121 175 HA TYR 27 HA TYR 27 -3.343 1.081 0.379 176 1HB TYR 27 HB2 TYR 27 -3.793 -0.781 2.612 177 2HB TYR 27 HB1 TYR 27 -2.380 -0.452 1.862 178 HD1 TYR 27 HD1 TYR 27 -1.221 1.783 2.199 179 HD2 TYR 27 HD2 TYR 27 -4.622 0.481 4.470 180 HE1 TYR 27 HE1 TYR 27 -0.442 3.137 4.154 181 HE2 TYR 27 HE2 TYR 27 -3.835 1.845 6.422 182 HH TYR 27 HH TYR 27 -0.829 3.712 6.330 183 H CYS 28 H CYS 28 -5.710 -1.396 1.493 184 HA CYS 28 HA CYS 28 -4.823 -3.070 -0.779 185 1HB CYS 28 HB2 CYS 28 -4.373 -3.298 1.780 186 2HB CYS 28 HB1 CYS 28 -5.809 -4.077 1.765 187 H GLY 29 H GLY 29 -7.664 -1.529 0.258 188 1HA GLY 29 HA3 GLY 29 -9.485 -3.388 -1.165 189 2HA GLY 29 HA2 GLY 29 -9.836 -1.741 -0.593 190 H ARG 30 H ARG 30 -7.556 -3.379 -2.742 191 HA ARG 30 HA ARG 30 -6.430 -1.031 -3.444 192 1HB ARG 30 HB2 ARG 30 -5.466 -3.256 -3.570 193 2HB ARG 30 HB1 ARG 30 -6.211 -3.529 -4.998 194 1HG ARG 30 HG2 ARG 30 -3.899 -3.032 -5.265 195 2HG ARG 30 HG1 ARG 30 -4.852 -1.976 -6.067 196 1HD ARG 30 HD2 ARG 30 -3.829 -1.310 -3.464 197 2HD ARG 30 HD1 ARG 30 -2.941 -1.012 -4.802 198 HE ARG 30 HE ARG 30 -5.239 0.117 -5.482 199 1HH1 ARG 30 2HH2 ARG 30 -3.622 0.577 -2.378 200 2HH1 ARG 30 1HH2 ARG 30 -4.624 1.950 -2.043 201 1HH2 ARG 30 2HH1 ARG 30 -6.415 1.751 -4.964 202 2HH2 ARG 30 1HH1 ARG 30 -6.172 2.597 -3.472 203 1HN NH2 31 1HN NH2 31 -9.035 -2.483 -5.327 204 2HN NH2 31 2HN NH2 31 -9.094 -1.190 -6.519 205 H1 NAG 32 H1 NAG 32 -7.877 14.903 1.368 206 H2 NAG 32 H2 NAG 32 -7.731 12.070 0.280 207 H3 NAG 32 H3 NAG 32 -6.621 13.001 2.937 208 H4 NAG 32 H4 NAG 32 -4.942 12.285 0.512 209 H5 NAG 32 H5 NAG 32 -5.543 15.073 1.550 210 1H6 NAG 32 1H6 NAG 32 -3.331 15.042 0.639 211 2H6 NAG 32 2H6 NAG 32 -4.395 15.757 -0.574 212 1H8 NAG 32 1H8 NAG 32 -11.469 10.561 2.754 213 2H8 NAG 32 2H8 NAG 32 -10.805 11.856 3.783 214 3H8 NAG 32 3H8 NAG 32 -11.642 12.257 2.249 215 HN2 NAG 32 HN2 NAG 32 -9.458 13.358 2.326 216 HO1 NAG 32 HO1 NAG 32 -8.220 14.643 -1.146 217 HO3 NAG 32 HO3 NAG 32 -5.801 10.996 2.930 218 HO6 NAG 32 HO6 NAG 32 -2.995 13.349 -0.590 219 H1 NAG 33 H1 NAG 33 -3.219 11.269 1.668 220 H2 NAG 33 H2 NAG 33 -2.320 12.606 4.242 221 H3 NAG 33 H3 NAG 33 -1.112 10.350 2.600 222 H4 NAG 33 H4 NAG 33 -2.333 10.258 5.390 223 H5 NAG 33 H5 NAG 33 -3.653 9.237 2.844 224 1H6 NAG 33 1H6 NAG 33 -4.644 9.726 5.695 225 2H6 NAG 33 2H6 NAG 33 -4.200 8.142 5.039 226 1H8 NAG 33 1H8 NAG 33 1.048 13.738 1.164 227 2H8 NAG 33 2H8 NAG 33 0.077 14.257 -0.234 228 3H8 NAG 33 3H8 NAG 33 -0.042 15.155 1.300 229 HN2 NAG 33 HN2 NAG 33 -0.430 13.535 3.127 230 HO3 NAG 33 HO3 NAG 33 0.060 10.246 4.691 231 HO6 NAG 33 HO6 NAG 33 -6.468 8.812 5.119 232 H1 NAG 34 H1 NAG 34 -1.834 8.164 6.337 233 H2 NAG 34 H2 NAG 34 -0.140 6.533 4.399 234 H3 NAG 34 H3 NAG 34 -0.556 6.157 7.370 235 H4 NAG 34 H4 NAG 34 1.902 7.040 5.724 236 H5 NAG 34 H5 NAG 34 0.137 8.421 7.790 237 1H6 NAG 34 1H6 NAG 34 1.579 10.351 7.475 238 2H6 NAG 34 2H6 NAG 34 2.553 9.492 6.274 239 1H8 NAG 34 1H8 NAG 34 -3.759 3.980 3.142 240 2H8 NAG 34 2H8 NAG 34 -4.110 4.459 4.821 241 3H8 NAG 34 3H8 NAG 34 -4.550 5.546 3.474 242 HN2 NAG 34 HN2 NAG 34 -2.460 5.361 5.849 243 HO4 NAG 34 HO4 NAG 34 2.597 7.141 8.073 244 HO3 NAG 34 HO3 NAG 34 1.346 4.873 6.860 245 HO6 NAG 34 HO6 NAG 34 3.466 9.569 8.408 Start of MODEL 10 1 1H VAL 1 H1 VAL 1 8.248 8.056 7.197 2 2H VAL 1 H2 VAL 1 6.617 7.703 7.175 3 3H VAL 1 H3 VAL 1 7.545 7.457 5.852 4 HA VAL 1 HA VAL 1 8.692 5.674 6.779 5 HB VAL 1 HB VAL 1 7.133 6.241 9.345 6 1HG1 VAL 1 1HG1 VAL 1 8.624 4.467 10.283 7 2HG1 VAL 1 2HG1 VAL 1 7.545 3.826 9.048 8 3HG1 VAL 1 3HG1 VAL 1 9.253 4.148 8.656 9 1HG2 VAL 1 1HG2 VAL 1 9.415 6.671 10.293 10 2HG2 VAL 1 2HG2 VAL 1 10.083 6.614 8.654 11 3HG2 VAL 1 3HG2 VAL 1 8.934 7.892 9.125 12 H GLY 2 H GLY 2 7.841 3.674 6.290 13 1HA GLY 2 HA3 GLY 2 6.057 2.052 6.121 14 2HA GLY 2 HA2 GLY 2 4.867 3.349 6.245 15 H GLU 3 H GLU 3 7.299 4.464 4.199 16 HA GLU 3 HA GLU 3 5.763 4.401 1.832 17 1HB GLU 3 HB2 GLU 3 8.661 4.796 2.261 18 2HB GLU 3 HB1 GLU 3 7.900 5.087 0.846 19 1HG GLU 3 HG2 GLU 3 8.068 7.141 1.772 20 2HG GLU 3 HG1 GLU 3 6.531 6.705 2.111 21 H CYS 4 H CYS 4 5.360 2.725 0.423 22 HA CYS 4 HA CYS 4 6.608 0.197 0.963 23 1HB CYS 4 HB2 CYS 4 5.116 -0.565 -0.697 24 2HB CYS 4 HB1 CYS 4 4.320 0.546 0.199 25 H VAL 5 H VAL 5 7.288 -1.274 -0.672 26 HA VAL 5 HA VAL 5 9.407 -0.228 -2.467 27 HB VAL 5 HB VAL 5 8.541 -3.097 -1.944 28 1HG1 VAL 5 1HG1 VAL 5 10.811 -3.625 -2.819 29 2HG1 VAL 5 2HG1 VAL 5 9.874 -2.781 -4.051 30 3HG1 VAL 5 3HG1 VAL 5 11.104 -1.902 -3.122 31 1HG2 VAL 5 1HG2 VAL 5 10.747 -1.449 -0.652 32 2HG2 VAL 5 2HG2 VAL 5 9.326 -2.139 0.160 33 3HG2 VAL 5 3HG2 VAL 5 10.566 -3.208 -0.497 34 H ARG 6 H ARG 6 7.247 0.857 -3.161 35 HA ARG 6 HA ARG 6 5.717 1.347 -4.765 36 1HB ARG 6 HB2 ARG 6 7.759 0.113 -6.502 37 2HB ARG 6 HB1 ARG 6 6.671 1.248 -6.945 38 1HG ARG 6 HG2 ARG 6 8.850 1.662 -5.100 39 2HG ARG 6 HG1 ARG 6 8.776 2.261 -6.618 40 1HD ARG 6 HD2 ARG 6 8.161 4.083 -5.510 41 2HD ARG 6 HD1 ARG 6 6.687 3.406 -5.702 42 HE ARG 6 HE ARG 6 7.954 2.668 -3.233 43 1HH1 ARG 6 2HH2 ARG 6 5.925 5.170 -4.659 44 2HH1 ARG 6 1HH2 ARG 6 5.349 5.666 -3.103 45 1HH2 ARG 6 2HH1 ARG 6 7.130 3.294 -1.343 46 2HH2 ARG 6 1HH1 ARG 6 6.020 4.621 -1.258 47 H GLY 7 H GLY 7 5.149 -0.833 -3.479 48 1HA GLY 7 HA3 GLY 7 2.850 -1.955 -4.178 49 2HA GLY 7 HA2 GLY 7 3.842 -2.751 -5.400 50 H ARG 8 H ARG 8 6.093 -2.782 -3.065 51 HA ARG 8 HA ARG 8 4.818 -4.991 -1.555 52 1HB ARG 8 HB2 ARG 8 7.296 -4.937 -3.073 53 2HB ARG 8 HB1 ARG 8 7.289 -5.821 -1.699 54 1HG ARG 8 HG2 ARG 8 5.141 -6.171 -3.549 55 2HG ARG 8 HG1 ARG 8 6.566 -6.897 -3.880 56 1HD ARG 8 HD2 ARG 8 4.921 -8.308 -2.783 57 2HD ARG 8 HD1 ARG 8 6.394 -8.283 -2.078 58 HE ARG 8 HE ARG 8 5.438 -7.682 -0.125 59 1HH1 ARG 8 2HH2 ARG 8 3.197 -6.368 -2.545 60 2HH1 ARG 8 1HH2 ARG 8 1.917 -6.372 -1.378 61 1HH2 ARG 8 2HH1 ARG 8 3.782 -7.634 1.194 62 2HH2 ARG 8 1HH1 ARG 8 2.238 -7.058 0.661 63 H CYS 9 H CYS 9 5.950 -5.774 0.191 64 HA CYS 9 HA CYS 9 7.150 -4.430 2.294 65 1HB CYS 9 HB2 CYS 9 4.645 -3.376 1.551 66 2HB CYS 9 HB1 CYS 9 4.436 -4.182 2.956 67 HA PRO 10 HA PRO 10 6.440 -8.274 4.188 68 1HB PRO 10 HB2 PRO 10 4.567 -7.215 6.202 69 2HB PRO 10 HB1 PRO 10 5.866 -8.181 6.419 70 1HG PRO 10 HG2 PRO 10 6.145 -5.659 6.888 71 2HG PRO 10 HG1 PRO 10 7.356 -6.427 6.105 72 1HD PRO 10 HD2 PRO 10 5.298 -4.772 4.957 73 2HD PRO 10 HD1 PRO 10 6.873 -4.835 4.530 74 H SER 11 H SER 11 4.858 -9.845 5.273 75 HA SER 11 HA SER 11 3.572 -11.421 3.618 76 1HB SER 11 HB2 SER 11 2.249 -12.135 5.524 77 2HB SER 11 HB1 SER 11 3.795 -11.846 5.963 78 HG SER 11 HG SER 11 1.735 -10.032 6.232 79 H GLY 12 H GLY 12 2.353 -10.690 1.930 80 1HA GLY 12 HA3 GLY 12 0.355 -10.313 0.840 81 2HA GLY 12 HA2 GLY 12 -0.440 -10.612 2.386 82 H MET 13 H MET 13 1.659 -7.899 2.728 83 HA MET 13 HA MET 13 -0.631 -6.128 2.902 84 1HB MET 13 HB2 MET 13 2.261 -5.507 2.899 85 2HB MET 13 HB1 MET 13 1.079 -4.450 3.291 86 1HG MET 13 HG2 MET 13 0.443 -5.895 5.098 87 2HG MET 13 HG1 MET 13 1.708 -6.862 4.736 88 1HE MET 13 HE1 MET 13 2.718 -5.311 8.173 89 2HE MET 13 HE2 MET 13 1.057 -5.662 7.644 90 3HE MET 13 HE3 MET 13 2.361 -6.823 7.304 91 H CYS 14 H CYS 14 -0.675 -3.973 1.793 92 HA CYS 14 HA CYS 14 -0.061 -4.154 -1.125 93 1HB CYS 14 HB2 CYS 14 -2.480 -2.984 0.081 94 2HB CYS 14 HB1 CYS 14 -2.213 -3.348 -1.489 95 H CYS 15 H CYS 15 -0.387 -1.801 -2.069 96 HA CYS 15 HA CYS 15 0.687 0.169 -0.114 97 1HB CYS 15 HB2 CYS 15 2.392 -0.707 -1.614 98 2HB CYS 15 HB1 CYS 15 1.578 -0.116 -2.901 99 H SER 16 H SER 16 -0.079 2.215 -0.171 100 HA SER 16 HA SER 16 -2.638 2.652 -1.486 101 1HB SER 16 HB2 SER 16 -2.522 4.720 -0.269 102 2HB SER 16 HB1 SER 16 -2.067 3.515 0.736 103 HG SER 16 HG SER 16 -0.735 5.223 1.021 104 H GLN 17 H GLN 17 -3.105 4.665 -2.771 105 HA GLN 17 HA GLN 17 -1.157 5.109 -4.825 106 1HB GLN 17 HB2 GLN 17 -3.561 6.687 -4.109 107 2HB GLN 17 HB1 GLN 17 -2.731 6.821 -5.509 108 1HG GLN 17 HG2 GLN 17 -4.470 5.541 -6.133 109 2HG GLN 17 HG1 GLN 17 -3.325 4.416 -5.832 110 1HE2 GLN 17 1HE2 GLN 17 -5.651 3.222 -5.842 111 2HE2 GLN 17 2HE2 GLN 17 -6.255 3.021 -4.193 112 1HN PFF 18 H PFF 18 -1.351 6.322 -1.631 113 HA PFF 18 HA PFF 18 0.302 8.705 -2.213 114 1HBC PFF 18 HB2 PFF 18 -0.522 7.489 0.441 115 2HBC PFF 18 HB3 PFF 18 0.206 9.072 0.177 116 HD1 PFF 18 HD1 PFF 18 -1.144 10.609 -1.580 117 HD2 PFF 18 HD2 PFF 18 -2.843 7.406 0.749 118 HE1 PFF 18 HE1 PFF 18 -3.415 11.566 -1.916 119 HE2 PFF 18 HE2 PFF 18 -5.106 8.387 0.439 120 H GLY 19 H GLY 19 0.850 5.366 -2.070 121 1HA GLY 19 HA3 GLY 19 2.935 4.446 -2.455 122 2HA GLY 19 HA2 GLY 19 3.710 5.927 -1.887 123 1HN PFF 20 H PFF 20 1.338 4.554 0.326 124 HA PFF 20 HA PFF 20 3.610 3.638 2.044 125 1HBC PFF 20 HB2 PFF 20 0.880 4.793 2.677 126 2HBC PFF 20 HB3 PFF 20 1.955 4.097 3.870 127 HD1 PFF 20 HD1 PFF 20 1.403 6.970 1.632 128 HD2 PFF 20 HD2 PFF 20 4.022 5.225 4.572 129 HE1 PFF 20 HE1 PFF 20 2.421 9.194 2.047 130 HE2 PFF 20 HE2 PFF 20 5.073 7.437 4.942 131 H CYS 21 H CYS 21 3.265 1.792 3.408 132 HA CYS 21 HA CYS 21 1.767 -0.298 2.040 133 1HB CYS 21 HB2 CYS 21 3.406 -0.411 4.489 134 2HB CYS 21 HB1 CYS 21 2.862 -1.704 3.652 135 H GLY 22 H GLY 22 -0.044 -1.438 2.699 136 1HA GLY 22 HA3 GLY 22 -0.424 -2.179 5.369 137 2HA GLY 22 HA2 GLY 22 -1.567 -0.854 5.062 138 H LYS 23 H LYS 23 -2.875 -3.090 5.572 139 HA LYS 23 HA LYS 23 -3.764 -3.927 2.833 140 1HB LYS 23 HB2 LYS 23 -2.935 -5.687 4.518 141 2HB LYS 23 HB1 LYS 23 -4.424 -5.550 5.175 142 1HG LYS 23 HG2 LYS 23 -5.447 -6.236 3.211 143 2HG LYS 23 HG1 LYS 23 -4.060 -6.081 2.364 144 1HD LYS 23 HD2 LYS 23 -3.134 -7.919 3.597 145 2HD LYS 23 HD1 LYS 23 -4.561 -8.096 4.370 146 1HE LYS 23 HE2 LYS 23 -4.444 -9.673 2.622 147 2HE LYS 23 HE1 LYS 23 -5.612 -8.586 2.274 148 1HZ LYS 23 HZ1 LYS 23 -4.206 -7.488 0.773 149 2HZ LYS 23 HZ2 LYS 23 -2.949 -8.437 1.212 150 3HZ LYS 23 HZ3 LYS 23 -4.216 -9.086 0.384 151 H GLY 24 H GLY 24 -4.471 -1.719 4.884 152 1HA GLY 24 HA3 GLY 24 -7.329 -2.094 5.331 153 2HA GLY 24 HA2 GLY 24 -6.372 -0.661 5.725 154 HA PRO 25 HA PRO 25 -9.485 -0.355 2.229 155 1HB PRO 25 HB2 PRO 25 -10.947 1.677 3.229 156 2HB PRO 25 HB1 PRO 25 -11.202 0.113 3.625 157 1HG PRO 25 HG2 PRO 25 -9.727 2.081 5.154 158 2HG PRO 25 HG1 PRO 25 -10.813 1.002 5.724 159 1HD PRO 25 HD2 PRO 25 -8.290 0.455 5.918 160 2HD PRO 25 HD1 PRO 25 -9.336 -0.749 5.566 161 H LYS 26 H LYS 26 -7.072 1.899 3.206 162 HA LYS 26 HA LYS 26 -7.391 3.085 0.507 163 1HB LYS 26 HB2 LYS 26 -6.529 4.304 3.009 164 2HB LYS 26 HB1 LYS 26 -5.749 4.783 1.657 165 1HG LYS 26 HG2 LYS 26 -8.608 4.834 1.718 166 2HG LYS 26 HG1 LYS 26 -7.774 6.070 2.384 167 1HD LYS 26 HD2 LYS 26 -8.286 6.775 0.265 168 2HD LYS 26 HD1 LYS 26 -6.705 6.371 0.206 169 1HE LYS 26 HE2 LYS 26 -8.537 4.358 -0.568 170 2HE LYS 26 HE1 LYS 26 -8.360 5.609 -1.603 171 1HZ LYS 26 HZ1 LYS 26 -6.926 3.646 -2.019 172 2HZ LYS 26 HZ2 LYS 26 -6.155 5.067 -2.035 173 3HZ LYS 26 HZ3 LYS 26 -6.048 4.119 -0.726 174 H TYR 27 H TYR 27 -5.574 0.808 2.155 175 HA TYR 27 HA TYR 27 -3.046 1.532 0.736 176 1HB TYR 27 HB2 TYR 27 -3.601 -0.605 2.687 177 2HB TYR 27 HB1 TYR 27 -2.145 -0.274 2.026 178 HD1 TYR 27 HD1 TYR 27 -1.155 2.091 2.368 179 HD2 TYR 27 HD2 TYR 27 -4.386 0.482 4.690 180 HE1 TYR 27 HE1 TYR 27 -0.487 3.536 4.291 181 HE2 TYR 27 HE2 TYR 27 -3.801 2.048 6.556 182 HH TYR 27 HH TYR 27 -1.001 4.215 6.385 183 H CYS 28 H CYS 28 -5.392 -1.241 1.062 184 HA CYS 28 HA CYS 28 -4.058 -2.437 -1.254 185 1HB CYS 28 HB2 CYS 28 -5.082 -3.540 0.830 186 2HB CYS 28 HB1 CYS 28 -6.455 -3.536 -0.054 187 H GLY 29 H GLY 29 -4.475 -0.367 -2.287 188 1HA GLY 29 HA3 GLY 29 -5.383 0.787 -4.085 189 2HA GLY 29 HA2 GLY 29 -6.484 -0.569 -4.385 190 H ARG 30 H ARG 30 -8.149 -0.830 -2.702 191 HA ARG 30 HA ARG 30 -9.003 1.448 -1.119 192 1HB ARG 30 HB2 ARG 30 -10.263 0.977 -3.623 193 2HB ARG 30 HB1 ARG 30 -11.359 0.849 -2.418 194 1HG ARG 30 HG2 ARG 30 -9.673 3.108 -2.247 195 2HG ARG 30 HG1 ARG 30 -10.719 3.132 -3.502 196 1HD ARG 30 HD2 ARG 30 -11.518 4.242 -1.479 197 2HD ARG 30 HD1 ARG 30 -12.543 3.134 -2.104 198 HE ARG 30 HE ARG 30 -10.850 2.073 -0.036 199 1HH1 ARG 30 2HH2 ARG 30 -13.856 3.841 -0.399 200 2HH1 ARG 30 1HH2 ARG 30 -14.652 2.877 0.800 201 1HH2 ARG 30 2HH1 ARG 30 -11.992 0.723 1.270 202 2HH2 ARG 30 1HH1 ARG 30 -13.610 1.134 1.732 203 1HN NH2 31 1HN NH2 31 -8.627 -1.885 -1.320 204 2HN NH2 31 2HN NH2 31 -9.816 -2.284 -0.100 205 H1 NAG 32 H1 NAG 32 -7.366 15.955 1.447 206 H2 NAG 32 H2 NAG 32 -7.557 13.008 0.679 207 H3 NAG 32 H3 NAG 32 -6.047 14.290 2.982 208 H4 NAG 32 H4 NAG 32 -4.987 12.903 0.477 209 H5 NAG 32 H5 NAG 32 -4.916 15.822 1.367 210 1H6 NAG 32 1H6 NAG 32 -4.027 16.139 -0.991 211 2H6 NAG 32 2H6 NAG 32 -3.797 14.387 -1.082 212 1H8 NAG 32 1H8 NAG 32 -10.558 12.365 3.671 213 2H8 NAG 32 2H8 NAG 32 -10.710 14.125 3.980 214 3H8 NAG 32 3H8 NAG 32 -11.810 13.318 2.836 215 HN2 NAG 32 HN2 NAG 32 -8.353 13.512 3.369 216 HO1 NAG 32 HO1 NAG 32 -9.180 14.815 0.156 217 HO3 NAG 32 HO3 NAG 32 -5.339 12.109 3.144 218 HO6 NAG 32 HO6 NAG 32 -2.486 16.305 0.527 219 H1 NAG 33 H1 NAG 33 -3.293 11.676 1.244 220 H2 NAG 33 H2 NAG 33 -1.438 13.099 3.158 221 H3 NAG 33 H3 NAG 33 -1.022 10.481 1.684 222 H4 NAG 33 H4 NAG 33 -1.438 10.879 4.662 223 H5 NAG 33 H5 NAG 33 -3.348 9.756 2.561 224 1H6 NAG 33 1H6 NAG 33 -3.684 8.604 4.658 225 2H6 NAG 33 2H6 NAG 33 -5.006 9.747 4.402 226 1H8 NAG 33 1H8 NAG 33 0.309 14.761 -0.581 227 2H8 NAG 33 2H8 NAG 33 0.851 13.375 -1.564 228 3H8 NAG 33 3H8 NAG 33 -0.883 13.803 -1.502 229 HN2 NAG 33 HN2 NAG 33 -1.626 14.000 0.774 230 HO3 NAG 33 HO3 NAG 33 0.842 11.481 2.054 231 HO6 NAG 33 HO6 NAG 33 -3.922 11.187 5.817 232 H1 NAG 34 H1 NAG 34 -1.533 8.773 5.769 233 H2 NAG 34 H2 NAG 34 0.164 6.849 4.131 234 H3 NAG 34 H3 NAG 34 -0.646 6.734 7.065 235 H4 NAG 34 H4 NAG 34 2.046 7.199 5.690 236 H5 NAG 34 H5 NAG 34 0.275 8.974 7.415 237 1H6 NAG 34 1H6 NAG 34 1.980 10.678 7.081 238 2H6 NAG 34 2H6 NAG 34 2.944 9.590 6.069 239 1H8 NAG 34 1H8 NAG 34 -3.767 4.680 4.310 240 2H8 NAG 34 2H8 NAG 34 -4.279 6.049 3.279 241 3H8 NAG 34 3H8 NAG 34 -3.571 4.574 2.547 242 HN2 NAG 34 HN2 NAG 34 -2.498 6.192 5.407 243 HO4 NAG 34 HO4 NAG 34 2.532 7.446 8.063 244 HO3 NAG 34 HO3 NAG 34 1.176 5.247 6.885 245 HO6 NAG 34 HO6 NAG 34 3.556 9.859 8.353 Start of MODEL 11 1 1H VAL 1 H1 VAL 1 10.270 7.309 5.578 2 2H VAL 1 H2 VAL 1 8.683 7.561 6.006 3 3H VAL 1 H3 VAL 1 9.086 6.680 4.671 4 HA VAL 1 HA VAL 1 9.973 4.923 5.914 5 HB VAL 1 HB VAL 1 9.350 6.595 8.389 6 1HG1 VAL 1 1HG1 VAL 1 10.494 4.715 9.567 7 2HG1 VAL 1 2HG1 VAL 1 9.006 4.175 8.791 8 3HG1 VAL 1 3HG1 VAL 1 10.579 3.815 8.040 9 1HG2 VAL 1 1HG2 VAL 1 11.828 6.464 8.720 10 2HG2 VAL 1 2HG2 VAL 1 11.990 5.766 7.100 11 3HG2 VAL 1 3HG2 VAL 1 11.394 7.433 7.317 12 H GLY 2 H GLY 2 8.475 3.592 5.391 13 1HA GLY 2 HA3 GLY 2 6.424 2.302 6.198 14 2HA GLY 2 HA2 GLY 2 5.658 3.870 6.453 15 H GLU 3 H GLU 3 7.631 3.950 3.715 16 HA GLU 3 HA GLU 3 5.397 3.949 1.809 17 1HB GLU 3 HB2 GLU 3 7.145 4.628 0.293 18 2HB GLU 3 HB1 GLU 3 6.969 5.648 1.556 19 1HG GLU 3 HG2 GLU 3 9.106 3.735 1.475 20 2HG GLU 3 HG1 GLU 3 9.271 5.226 0.828 21 H CYS 4 H CYS 4 5.217 2.533 0.015 22 HA CYS 4 HA CYS 4 6.073 -0.134 0.731 23 1HB CYS 4 HB2 CYS 4 4.830 -0.745 -1.198 24 2HB CYS 4 HB1 CYS 4 3.968 0.297 -0.282 25 H VAL 5 H VAL 5 7.008 -1.610 -0.647 26 HA VAL 5 HA VAL 5 9.544 -0.722 -1.861 27 HB VAL 5 HB VAL 5 8.398 -3.530 -1.534 28 1HG1 VAL 5 1HG1 VAL 5 10.786 -4.203 -1.774 29 2HG1 VAL 5 2HG1 VAL 5 10.223 -3.392 -3.236 30 3HG1 VAL 5 3HG1 VAL 5 11.238 -2.514 -2.071 31 1HG2 VAL 5 1HG2 VAL 5 8.681 -2.504 0.672 32 2HG2 VAL 5 2HG2 VAL 5 9.965 -3.683 0.393 33 3HG2 VAL 5 3HG2 VAL 5 10.308 -1.949 0.231 34 H ARG 6 H ARG 6 8.061 0.509 -3.323 35 HA ARG 6 HA ARG 6 7.145 0.947 -5.344 36 1HB ARG 6 HB2 ARG 6 8.506 -0.008 -7.221 37 2HB ARG 6 HB1 ARG 6 9.199 1.033 -6.171 38 1HG ARG 6 HG2 ARG 6 10.778 -0.513 -6.738 39 2HG ARG 6 HG1 ARG 6 10.358 -0.799 -5.186 40 1HD ARG 6 HD2 ARG 6 10.699 -2.712 -6.828 41 2HD ARG 6 HD1 ARG 6 9.596 -2.823 -5.629 42 HE ARG 6 HE ARG 6 7.847 -2.555 -7.085 43 1HH1 ARG 6 2HH2 ARG 6 10.799 -2.495 -8.989 44 2HH1 ARG 6 1HH2 ARG 6 9.923 -2.045 -10.413 45 1HH2 ARG 6 2HH1 ARG 6 6.850 -1.880 -8.801 46 2HH2 ARG 6 1HH1 ARG 6 7.686 -1.695 -10.306 47 H GLY 7 H GLY 7 5.773 -0.766 -4.009 48 1HA GLY 7 HA3 GLY 7 3.563 -1.589 -5.213 49 2HA GLY 7 HA2 GLY 7 4.632 -2.747 -5.978 50 H ARG 8 H ARG 8 6.190 -3.005 -3.263 51 HA ARG 8 HA ARG 8 4.168 -4.846 -2.024 52 1HB ARG 8 HB2 ARG 8 6.830 -5.313 -3.093 53 2HB ARG 8 HB1 ARG 8 6.506 -6.073 -1.684 54 1HG ARG 8 HG2 ARG 8 4.453 -6.306 -3.591 55 2HG ARG 8 HG1 ARG 8 5.844 -7.036 -4.038 56 1HD ARG 8 HD2 ARG 8 4.285 -8.509 -2.921 57 2HD ARG 8 HD1 ARG 8 5.767 -8.473 -2.235 58 HE ARG 8 HE ARG 8 4.848 -7.841 -0.254 59 1HH1 ARG 8 2HH2 ARG 8 2.539 -6.795 -2.729 60 2HH1 ARG 8 1HH2 ARG 8 1.309 -6.586 -1.528 61 1HH2 ARG 8 2HH1 ARG 8 3.232 -7.534 1.124 62 2HH2 ARG 8 1HH1 ARG 8 1.687 -6.985 0.565 63 H CYS 9 H CYS 9 5.055 -5.821 0.013 64 HA CYS 9 HA CYS 9 6.591 -4.504 1.928 65 1HB CYS 9 HB2 CYS 9 4.023 -3.397 1.489 66 2HB CYS 9 HB1 CYS 9 4.042 -4.100 2.963 67 HA PRO 10 HA PRO 10 5.825 -8.315 4.041 68 1HB PRO 10 HB2 PRO 10 4.074 -7.075 6.067 69 2HB PRO 10 HB1 PRO 10 5.284 -8.151 6.284 70 1HG PRO 10 HG2 PRO 10 5.818 -5.665 6.695 71 2HG PRO 10 HG1 PRO 10 6.923 -6.547 5.877 72 1HD PRO 10 HD2 PRO 10 4.973 -4.727 4.781 73 2HD PRO 10 HD1 PRO 10 6.520 -4.928 4.299 74 H SER 11 H SER 11 4.134 -9.798 5.163 75 HA SER 11 HA SER 11 2.580 -11.112 3.381 76 1HB SER 11 HB2 SER 11 1.454 -11.966 5.378 77 2HB SER 11 HB1 SER 11 3.071 -11.889 5.597 78 HG SER 11 HG SER 11 1.313 -9.916 6.392 79 H GLY 12 H GLY 12 1.080 -10.213 2.022 80 1HA GLY 12 HA3 GLY 12 -1.110 -9.685 1.468 81 2HA GLY 12 HA2 GLY 12 -1.506 -9.644 3.186 82 H MET 13 H MET 13 1.084 -7.485 2.653 83 HA MET 13 HA MET 13 -0.702 -5.184 2.895 84 1HB MET 13 HB2 MET 13 2.215 -5.254 2.416 85 2HB MET 13 HB1 MET 13 1.355 -3.983 2.975 86 1HG MET 13 HG2 MET 13 1.586 -6.435 4.447 87 2HG MET 13 HG1 MET 13 2.629 -5.196 4.658 88 1HE MET 13 HE1 MET 13 0.596 -5.341 7.984 89 2HE MET 13 HE2 MET 13 1.037 -6.713 6.942 90 3HE MET 13 HE3 MET 13 2.225 -5.431 7.279 91 H CYS 14 H CYS 14 -0.505 -3.270 1.486 92 HA CYS 14 HA CYS 14 0.585 -3.648 -1.248 93 1HB CYS 14 HB2 CYS 14 -2.125 -2.604 -0.714 94 2HB CYS 14 HB1 CYS 14 -1.372 -2.593 -2.163 95 H CYS 15 H CYS 15 0.571 -1.374 -2.355 96 HA CYS 15 HA CYS 15 1.417 0.777 -0.555 97 1HB CYS 15 HB2 CYS 15 0.695 0.833 -3.420 98 2HB CYS 15 HB1 CYS 15 1.566 1.953 -2.610 99 H SER 16 H SER 16 0.259 2.817 -0.358 100 HA SER 16 HA SER 16 -2.575 2.840 -1.238 101 1HB SER 16 HB2 SER 16 -2.848 4.702 0.032 102 2HB SER 16 HB1 SER 16 -1.929 3.739 0.978 103 HG SER 16 HG SER 16 -1.015 5.620 1.163 104 H GLN 17 H GLN 17 -3.272 4.670 -2.561 105 HA GLN 17 HA GLN 17 -1.552 5.652 -4.590 106 1HB GLN 17 HB2 GLN 17 -3.349 7.234 -4.912 107 2HB GLN 17 HB1 GLN 17 -3.860 5.683 -4.863 108 1HG GLN 17 HG2 GLN 17 -3.938 7.036 -2.393 109 2HG GLN 17 HG1 GLN 17 -5.001 7.584 -3.506 110 1HE2 GLN 17 1HE2 GLN 17 -6.999 6.922 -2.642 111 2HE2 GLN 17 2HE2 GLN 17 -7.296 5.200 -2.389 112 1HN PFF 18 H PFF 18 -1.181 6.304 -1.306 113 HA PFF 18 HA PFF 18 0.220 8.854 -1.910 114 1HBC PFF 18 HB2 PFF 18 -0.547 7.919 0.851 115 2HBC PFF 18 HB3 PFF 18 -0.164 9.543 0.292 116 HD1 PFF 18 HD1 PFF 18 -2.774 7.281 1.132 117 HD2 PFF 18 HD2 PFF 18 -1.864 10.499 -1.577 118 HE1 PFF 18 HE1 PFF 18 -5.173 7.535 0.631 119 HE2 PFF 18 HE2 PFF 18 -4.285 10.774 -2.057 120 H GLY 19 H GLY 19 0.961 5.765 -2.114 121 1HA GLY 19 HA3 GLY 19 3.066 4.856 -2.262 122 2HA GLY 19 HA2 GLY 19 3.754 6.310 -1.537 123 1HN PFF 20 H PFF 20 2.210 6.121 0.942 124 HA PFF 20 HA PFF 20 3.635 4.342 2.604 125 1HBC PFF 20 HB2 PFF 20 0.880 5.550 2.789 126 2HBC PFF 20 HB3 PFF 20 1.543 4.518 4.056 127 HD1 PFF 20 HD1 PFF 20 1.775 7.845 2.516 128 HD2 PFF 20 HD2 PFF 20 3.626 5.086 5.260 129 HE1 PFF 20 HE1 PFF 20 3.083 9.705 3.507 130 HE2 PFF 20 HE2 PFF 20 4.958 6.946 6.226 131 H CYS 21 H CYS 21 3.206 2.228 3.483 132 HA CYS 21 HA CYS 21 1.388 0.625 1.730 133 1HB CYS 21 HB2 CYS 21 2.908 -0.964 1.686 134 2HB CYS 21 HB1 CYS 21 3.939 0.280 1.928 135 H GLY 22 H GLY 22 0.220 -1.177 2.623 136 1HA GLY 22 HA3 GLY 22 0.185 -1.814 5.401 137 2HA GLY 22 HA2 GLY 22 -1.061 -0.594 5.102 138 H LYS 23 H LYS 23 -2.002 -2.840 6.037 139 HA LYS 23 HA LYS 23 -2.761 -4.646 3.863 140 1HB LYS 23 HB2 LYS 23 -2.176 -5.108 6.393 141 2HB LYS 23 HB1 LYS 23 -3.794 -4.973 6.574 142 1HG LYS 23 HG2 LYS 23 -2.745 -6.805 4.652 143 2HG LYS 23 HG1 LYS 23 -2.819 -7.243 6.224 144 1HD LYS 23 HD2 LYS 23 -4.922 -7.757 6.055 145 2HD LYS 23 HD1 LYS 23 -5.277 -6.314 5.379 146 1HE LYS 23 HE2 LYS 23 -4.333 -8.605 3.905 147 2HE LYS 23 HE1 LYS 23 -5.891 -8.115 3.943 148 1HZ LYS 23 HZ1 LYS 23 -5.070 -7.291 1.974 149 2HZ LYS 23 HZ2 LYS 23 -5.089 -5.998 3.009 150 3HZ LYS 23 HZ3 LYS 23 -3.680 -6.808 2.681 151 H GLY 24 H GLY 24 -4.090 -2.047 5.357 152 1HA GLY 24 HA3 GLY 24 -6.890 -2.822 5.289 153 2HA GLY 24 HA2 GLY 24 -6.269 -1.247 5.793 154 HA PRO 25 HA PRO 25 -9.026 -1.528 1.920 155 1HB PRO 25 HB2 PRO 25 -9.896 0.989 3.202 156 2HB PRO 25 HB1 PRO 25 -10.776 -0.047 2.296 157 1HG PRO 25 HG2 PRO 25 -10.896 -0.303 4.862 158 2HG PRO 25 HG1 PRO 25 -10.793 -1.666 3.967 159 1HD PRO 25 HD2 PRO 25 -8.701 -0.386 5.459 160 2HD PRO 25 HD1 PRO 25 -8.912 -1.987 5.214 161 H LYS 26 H LYS 26 -7.899 1.799 2.813 162 HA LYS 26 HA LYS 26 -7.508 2.571 0.110 163 1HB LYS 26 HB2 LYS 26 -6.450 3.741 2.613 164 2HB LYS 26 HB1 LYS 26 -6.393 4.480 1.158 165 1HG LYS 26 HG2 LYS 26 -8.805 4.392 1.074 166 2HG LYS 26 HG1 LYS 26 -8.802 3.784 2.590 167 1HD LYS 26 HD2 LYS 26 -9.269 6.057 2.762 168 2HD LYS 26 HD1 LYS 26 -7.759 5.832 3.342 169 1HE LYS 26 HE2 LYS 26 -6.842 6.598 1.294 170 2HE LYS 26 HE1 LYS 26 -8.344 6.784 0.679 171 1HZ LYS 26 HZ1 LYS 26 -7.397 8.899 1.467 172 2HZ LYS 26 HZ2 LYS 26 -8.800 8.546 2.140 173 3HZ LYS 26 HZ3 LYS 26 -7.371 8.277 2.952 174 H TYR 27 H TYR 27 -5.500 0.472 1.880 175 HA TYR 27 HA TYR 27 -3.209 1.077 0.069 176 1HB TYR 27 HB2 TYR 27 -3.317 -0.960 2.181 177 2HB TYR 27 HB1 TYR 27 -2.000 -0.404 1.390 178 HD1 TYR 27 HD1 TYR 27 -0.994 1.821 1.906 179 HD2 TYR 27 HD2 TYR 27 -4.225 0.091 4.150 180 HE1 TYR 27 HE1 TYR 27 -0.369 3.208 3.880 181 HE2 TYR 27 HE2 TYR 27 -3.608 1.521 6.116 182 HH TYR 27 HH TYR 27 -0.865 3.771 6.103 183 H CYS 28 H CYS 28 -5.139 -1.696 1.252 184 HA CYS 28 HA CYS 28 -4.492 -3.132 -1.265 185 1HB CYS 28 HB2 CYS 28 -3.363 -3.342 1.052 186 2HB CYS 28 HB1 CYS 28 -4.636 -4.303 1.403 187 H GLY 29 H GLY 29 -7.190 -2.040 0.400 188 1HA GLY 29 HA3 GLY 29 -8.900 -4.152 -0.874 189 2HA GLY 29 HA2 GLY 29 -9.484 -2.770 0.065 190 H ARG 30 H ARG 30 -7.498 -0.997 -1.217 191 HA ARG 30 HA ARG 30 -6.744 0.055 -2.975 192 1HB ARG 30 HB2 ARG 30 -6.393 -2.188 -3.894 193 2HB ARG 30 HB1 ARG 30 -7.826 -2.107 -4.673 194 1HG ARG 30 HG2 ARG 30 -6.425 -1.531 -6.320 195 2HG ARG 30 HG1 ARG 30 -6.842 -0.060 -5.745 196 1HD ARG 30 HD2 ARG 30 -4.349 -1.419 -5.412 197 2HD ARG 30 HD1 ARG 30 -4.596 0.069 -6.037 198 HE ARG 30 HE ARG 30 -4.104 -0.552 -3.315 199 1HH1 ARG 30 2HH2 ARG 30 -6.161 1.848 -4.896 200 2HH1 ARG 30 1HH2 ARG 30 -5.612 3.068 -3.796 201 1HH2 ARG 30 2HH1 ARG 30 -3.441 1.043 -2.106 202 2HH2 ARG 30 1HH1 ARG 30 -4.133 2.623 -2.266 203 1HN NH2 31 1HN NH2 31 -10.126 -0.871 -3.470 204 2HN NH2 31 2HN NH2 31 -10.564 0.675 -4.207 205 H1 NAG 32 H1 NAG 32 -8.790 13.085 -1.299 206 H2 NAG 32 H2 NAG 32 -8.048 10.883 -0.169 207 H3 NAG 32 H3 NAG 32 -7.476 12.422 2.320 208 H4 NAG 32 H4 NAG 32 -5.350 12.063 0.191 209 H5 NAG 32 H5 NAG 32 -6.330 14.646 1.464 210 1H6 NAG 32 1H6 NAG 32 -4.214 14.902 0.359 211 2H6 NAG 32 2H6 NAG 32 -5.455 15.646 -0.656 212 1H8 NAG 32 1H8 NAG 32 -11.480 12.104 2.722 213 2H8 NAG 32 2H8 NAG 32 -12.157 11.790 1.094 214 3H8 NAG 32 3H8 NAG 32 -12.063 10.478 2.292 215 HN2 NAG 32 HN2 NAG 32 -9.936 12.896 0.907 216 HO1 NAG 32 HO1 NAG 32 -6.270 13.190 -1.738 217 HO3 NAG 32 HO3 NAG 32 -6.232 10.644 2.595 218 HO6 NAG 32 HO6 NAG 32 -3.921 13.352 -1.047 219 H1 NAG 33 H1 NAG 33 -3.849 11.001 1.478 220 H2 NAG 33 H2 NAG 33 -2.878 12.588 3.877 221 H3 NAG 33 H3 NAG 33 -1.624 10.242 2.420 222 H4 NAG 33 H4 NAG 33 -2.778 10.285 5.236 223 H5 NAG 33 H5 NAG 33 -4.070 9.022 2.785 224 1H6 NAG 33 1H6 NAG 33 -5.077 9.578 5.613 225 2H6 NAG 33 2H6 NAG 33 -4.488 8.008 5.050 226 1H8 NAG 33 1H8 NAG 33 -0.935 14.066 -0.842 227 2H8 NAG 33 2H8 NAG 33 -0.799 14.952 0.697 228 3H8 NAG 33 3H8 NAG 33 0.188 13.482 0.409 229 HN2 NAG 33 HN2 NAG 33 -0.984 13.300 2.533 230 HO3 NAG 33 HO3 NAG 33 -0.432 10.340 4.505 231 HO6 NAG 33 HO6 NAG 33 -6.796 8.422 5.105 232 H1 NAG 34 H1 NAG 34 -2.234 8.232 6.261 233 H2 NAG 34 H2 NAG 34 -0.219 6.738 4.513 234 H3 NAG 34 H3 NAG 34 -1.034 6.359 7.422 235 H4 NAG 34 H4 NAG 34 1.553 7.318 6.114 236 H5 NAG 34 H5 NAG 34 -0.461 8.811 7.817 237 1H6 NAG 34 1H6 NAG 34 0.965 10.739 7.455 238 2H6 NAG 34 2H6 NAG 34 2.029 9.825 6.379 239 1H8 NAG 34 1H8 NAG 34 -3.600 4.035 2.772 240 2H8 NAG 34 2H8 NAG 34 -3.990 4.223 4.496 241 3H8 NAG 34 3H8 NAG 34 -4.505 5.471 3.326 242 HN2 NAG 34 HN2 NAG 34 -2.646 5.419 5.717 243 HO4 NAG 34 HO4 NAG 34 1.970 7.628 8.464 244 HO3 NAG 34 HO3 NAG 34 0.987 5.180 7.217 245 HO6 NAG 34 HO6 NAG 34 2.828 10.086 8.539 Start of MODEL 12 1 1H VAL 1 H1 VAL 1 7.619 9.914 1.007 2 2H VAL 1 H2 VAL 1 6.857 11.033 1.975 3 3H VAL 1 H3 VAL 1 6.871 9.389 2.303 4 HA VAL 1 HA VAL 1 9.444 10.644 1.988 5 HB VAL 1 HB VAL 1 9.529 11.368 4.395 6 1HG1 VAL 1 1HG1 VAL 1 9.430 12.920 2.488 7 2HG1 VAL 1 2HG1 VAL 1 7.654 12.933 2.571 8 3HG1 VAL 1 3HG1 VAL 1 8.613 13.555 3.923 9 1HG2 VAL 1 1HG2 VAL 1 6.476 11.492 4.194 10 2HG2 VAL 1 2HG2 VAL 1 7.352 10.269 5.148 11 3HG2 VAL 1 3HG2 VAL 1 7.504 11.984 5.542 12 H GLY 2 H GLY 2 9.057 8.191 1.388 13 1HA GLY 2 HA3 GLY 2 10.748 6.552 2.857 14 2HA GLY 2 HA2 GLY 2 9.200 6.419 3.720 15 H GLU 3 H GLU 3 7.328 6.241 2.094 16 HA GLU 3 HA GLU 3 6.017 4.803 1.049 17 1HB GLU 3 HB2 GLU 3 8.127 5.611 -0.823 18 2HB GLU 3 HB1 GLU 3 6.769 4.863 -1.339 19 1HG GLU 3 HG2 GLU 3 6.513 7.193 -1.573 20 2HG GLU 3 HG1 GLU 3 5.460 6.645 -0.451 21 H CYS 4 H CYS 4 5.594 3.009 -0.383 22 HA CYS 4 HA CYS 4 6.132 0.550 0.718 23 1HB CYS 4 HB2 CYS 4 5.537 1.112 -2.128 24 2HB CYS 4 HB1 CYS 4 5.273 -0.312 -1.372 25 H VAL 5 H VAL 5 6.979 -1.468 -0.555 26 HA VAL 5 HA VAL 5 9.775 -1.068 -1.435 27 HB VAL 5 HB VAL 5 8.120 -3.613 -1.326 28 1HG1 VAL 5 1HG1 VAL 5 10.352 -4.701 -1.363 29 2HG1 VAL 5 2HG1 VAL 5 10.115 -3.749 -2.829 30 3HG1 VAL 5 3HG1 VAL 5 11.132 -3.116 -1.518 31 1HG2 VAL 5 1HG2 VAL 5 8.352 -2.690 0.943 32 2HG2 VAL 5 2HG2 VAL 5 9.404 -4.095 0.741 33 3HG2 VAL 5 3HG2 VAL 5 10.092 -2.459 0.684 34 H ARG 6 H ARG 6 8.441 0.472 -2.873 35 HA ARG 6 HA ARG 6 7.844 1.230 -4.896 36 1HB ARG 6 HB2 ARG 6 9.662 -0.847 -5.922 37 2HB ARG 6 HB1 ARG 6 9.335 0.606 -6.592 38 1HG ARG 6 HG2 ARG 6 10.843 0.173 -4.176 39 2HG ARG 6 HG1 ARG 6 11.458 0.683 -5.601 40 1HD ARG 6 HD2 ARG 6 11.356 2.681 -4.727 41 2HD ARG 6 HD1 ARG 6 9.760 2.606 -5.062 42 HE ARG 6 HE ARG 6 9.816 1.561 -2.571 43 1HH1 ARG 6 2HH2 ARG 6 11.174 4.586 -3.727 44 2HH1 ARG 6 1HH2 ARG 6 11.053 5.278 -2.143 45 1HH2 ARG 6 2HH1 ARG 6 9.673 2.487 -0.678 46 2HH2 ARG 6 1HH1 ARG 6 10.222 4.115 -0.455 47 H GLY 7 H GLY 7 6.124 -0.361 -3.808 48 1HA GLY 7 HA3 GLY 7 3.884 -0.725 -4.951 49 2HA GLY 7 HA2 GLY 7 4.729 -1.811 -6.052 50 H ARG 8 H ARG 8 6.316 -2.710 -3.367 51 HA ARG 8 HA ARG 8 4.168 -4.580 -2.455 52 1HB ARG 8 HB2 ARG 8 7.008 -4.952 -3.157 53 2HB ARG 8 HB1 ARG 8 6.332 -5.949 -2.054 54 1HG ARG 8 HG2 ARG 8 5.546 -5.683 -4.809 55 2HG ARG 8 HG1 ARG 8 6.215 -7.005 -4.121 56 1HD ARG 8 HD2 ARG 8 3.520 -6.071 -3.850 57 2HD ARG 8 HD1 ARG 8 4.018 -7.558 -4.309 58 HE ARG 8 HE ARG 8 4.818 -7.774 -1.887 59 1HH1 ARG 8 2HH2 ARG 8 1.782 -6.374 -2.972 60 2HH1 ARG 8 1HH2 ARG 8 1.055 -6.533 -1.408 61 1HH2 ARG 8 2HH1 ARG 8 3.828 -7.738 0.170 62 2HH2 ARG 8 1HH1 ARG 8 2.165 -7.272 0.297 63 H CYS 9 H CYS 9 4.979 -5.718 -0.366 64 HA CYS 9 HA CYS 9 6.698 -4.413 1.421 65 1HB CYS 9 HB2 CYS 9 4.000 -3.533 1.433 66 2HB CYS 9 HB1 CYS 9 4.344 -4.262 2.853 67 HA PRO 10 HA PRO 10 6.594 -8.329 3.398 68 1HB PRO 10 HB2 PRO 10 5.433 -7.226 5.871 69 2HB PRO 10 HB1 PRO 10 6.739 -8.191 5.693 70 1HG PRO 10 HG2 PRO 10 7.154 -5.673 6.048 71 2HG PRO 10 HG1 PRO 10 8.061 -6.438 4.926 72 1HD PRO 10 HD2 PRO 10 5.708 -4.824 4.473 73 2HD PRO 10 HD1 PRO 10 7.091 -4.818 3.605 74 H SER 11 H SER 11 5.318 -9.887 4.913 75 HA SER 11 HA SER 11 3.665 -11.451 3.907 76 1HB SER 11 HB2 SER 11 3.102 -10.387 6.591 77 2HB SER 11 HB1 SER 11 2.836 -11.908 6.059 78 HG SER 11 HG SER 11 4.774 -11.835 7.183 79 H GLY 12 H GLY 12 2.382 -10.707 2.281 80 1HA GLY 12 HA3 GLY 12 0.294 -10.421 1.325 81 2HA GLY 12 HA2 GLY 12 -0.375 -10.640 2.940 82 H MET 13 H MET 13 1.686 -7.875 2.981 83 HA MET 13 HA MET 13 -0.658 -6.160 3.216 84 1HB MET 13 HB2 MET 13 2.223 -5.478 3.141 85 2HB MET 13 HB1 MET 13 1.028 -4.435 3.533 86 1HG MET 13 HG2 MET 13 1.636 -6.833 5.009 87 2HG MET 13 HG1 MET 13 2.075 -5.332 5.480 88 1HE MET 13 HE1 MET 13 1.117 -6.036 7.893 89 2HE MET 13 HE2 MET 13 -0.573 -6.542 8.119 90 3HE MET 13 HE3 MET 13 0.549 -7.575 7.202 91 H CYS 14 H CYS 14 -0.745 -4.000 2.048 92 HA CYS 14 HA CYS 14 -0.329 -4.395 -0.887 93 1HB CYS 14 HB2 CYS 14 -2.610 -2.983 0.277 94 2HB CYS 14 HB1 CYS 14 -2.495 -3.739 -1.166 95 H CYS 15 H CYS 15 -0.508 -2.172 -2.055 96 HA CYS 15 HA CYS 15 0.919 -0.101 -0.429 97 1HB CYS 15 HB2 CYS 15 2.260 -1.237 -2.106 98 2HB CYS 15 HB1 CYS 15 1.238 -0.760 -3.288 99 H SER 16 H SER 16 0.127 1.970 -0.468 100 HA SER 16 HA SER 16 -2.600 2.279 -1.462 101 1HB SER 16 HB2 SER 16 -2.566 4.196 -0.070 102 2HB SER 16 HB1 SER 16 -1.820 3.013 0.774 103 HG SER 16 HG SER 16 -0.728 4.832 1.089 104 H GLN 17 H GLN 17 -3.375 4.206 -2.597 105 HA GLN 17 HA GLN 17 -1.565 5.228 -4.603 106 1HB GLN 17 HB2 GLN 17 -4.224 6.187 -3.738 107 2HB GLN 17 HB1 GLN 17 -3.445 6.655 -5.095 108 1HG GLN 17 HG2 GLN 17 -4.792 5.086 -5.949 109 2HG GLN 17 HG1 GLN 17 -3.473 4.179 -5.623 110 1HE2 GLN 17 1HE2 GLN 17 -5.616 2.657 -5.933 111 2HE2 GLN 17 2HE2 GLN 17 -6.344 2.238 -4.388 112 1HN PFF 18 H PFF 18 -1.568 5.823 -1.307 113 HA PFF 18 HA PFF 18 -0.465 8.563 -1.635 114 1HBC PFF 18 HB2 PFF 18 -1.091 6.896 0.830 115 2HBC PFF 18 HB3 PFF 18 -0.394 8.519 0.848 116 HD1 PFF 18 HD1 PFF 18 -1.844 10.246 -0.739 117 HD2 PFF 18 HD2 PFF 18 -3.385 6.708 1.165 118 HE1 PFF 18 HE1 PFF 18 -4.114 11.236 -0.744 119 HE2 PFF 18 HE2 PFF 18 -5.650 7.738 1.236 120 H GLY 19 H GLY 19 0.561 5.353 -1.945 121 1HA GLY 19 HA3 GLY 19 2.718 4.740 -2.490 122 2HA GLY 19 HA2 GLY 19 3.348 6.242 -1.814 123 1HN PFF 20 H PFF 20 1.310 4.671 0.500 124 HA PFF 20 HA PFF 20 3.730 3.556 1.878 125 1HBC PFF 20 HB2 PFF 20 1.115 4.641 3.024 126 2HBC PFF 20 HB3 PFF 20 2.412 3.889 3.911 127 HD1 PFF 20 HD1 PFF 20 1.594 6.895 1.880 128 HD2 PFF 20 HD2 PFF 20 4.515 4.997 4.409 129 HE1 PFF 20 HE1 PFF 20 2.773 9.058 2.129 130 HE2 PFF 20 HE2 PFF 20 5.718 7.159 4.629 131 H CYS 21 H CYS 21 3.040 1.640 3.405 132 HA CYS 21 HA CYS 21 1.115 0.003 1.814 133 1HB CYS 21 HB2 CYS 21 2.527 -1.780 1.992 134 2HB CYS 21 HB1 CYS 21 3.472 -0.528 1.538 135 H GLY 22 H GLY 22 -0.186 -1.517 2.741 136 1HA GLY 22 HA3 GLY 22 -0.312 -2.282 5.469 137 2HA GLY 22 HA2 GLY 22 -1.310 -0.825 5.235 138 H LYS 23 H LYS 23 -2.936 -2.693 5.874 139 HA LYS 23 HA LYS 23 -3.945 -3.908 3.332 140 1HB LYS 23 HB2 LYS 23 -3.194 -5.499 4.995 141 2HB LYS 23 HB1 LYS 23 -4.260 -4.921 6.089 142 1HG LYS 23 HG2 LYS 23 -6.038 -5.832 5.013 143 2HG LYS 23 HG1 LYS 23 -5.226 -5.966 3.603 144 1HD LYS 23 HD2 LYS 23 -4.611 -7.583 5.906 145 2HD LYS 23 HD1 LYS 23 -5.615 -8.088 4.721 146 1HE LYS 23 HE2 LYS 23 -2.830 -7.457 4.315 147 2HE LYS 23 HE1 LYS 23 -3.414 -8.977 4.440 148 1HZ LYS 23 HZ1 LYS 23 -4.120 -7.144 2.343 149 2HZ LYS 23 HZ2 LYS 23 -3.025 -8.345 2.195 150 3HZ LYS 23 HZ3 LYS 23 -4.616 -8.715 2.448 151 H GLY 24 H GLY 24 -4.625 -1.361 5.098 152 1HA GLY 24 HA3 GLY 24 -7.507 -1.694 5.472 153 2HA GLY 24 HA2 GLY 24 -6.612 -0.179 5.659 154 HA PRO 25 HA PRO 25 -9.323 -0.442 1.688 155 1HB PRO 25 HB2 PRO 25 -10.520 1.881 3.058 156 2HB PRO 25 HB1 PRO 25 -11.240 0.789 2.080 157 1HG PRO 25 HG2 PRO 25 -11.527 0.502 4.627 158 2HG PRO 25 HG1 PRO 25 -11.260 -0.839 3.733 159 1HD PRO 25 HD2 PRO 25 -9.348 0.617 5.324 160 2HD PRO 25 HD1 PRO 25 -9.470 -1.003 5.158 161 H LYS 26 H LYS 26 -7.703 2.261 3.386 162 HA LYS 26 HA LYS 26 -7.309 3.785 0.934 163 1HB LYS 26 HB2 LYS 26 -6.338 4.069 3.688 164 2HB LYS 26 HB1 LYS 26 -5.785 5.030 2.488 165 1HG LYS 26 HG2 LYS 26 -8.058 5.724 2.059 166 2HG LYS 26 HG1 LYS 26 -8.535 4.850 3.354 167 1HD LYS 26 HD2 LYS 26 -7.448 6.246 4.826 168 2HD LYS 26 HD1 LYS 26 -6.549 6.917 3.639 169 1HE LYS 26 HE2 LYS 26 -8.530 7.948 2.756 170 2HE LYS 26 HE1 LYS 26 -9.388 7.323 3.998 171 1HZ LYS 26 HZ1 LYS 26 -7.166 9.086 4.411 172 2HZ LYS 26 HZ2 LYS 26 -8.683 9.663 4.271 173 3HZ LYS 26 HZ3 LYS 26 -8.287 8.660 5.529 174 H TYR 27 H TYR 27 -5.755 0.991 2.091 175 HA TYR 27 HA TYR 27 -3.313 1.641 0.490 176 1HB TYR 27 HB2 TYR 27 -3.677 -0.408 2.572 177 2HB TYR 27 HB1 TYR 27 -2.316 -0.181 1.699 178 HD1 TYR 27 HD1 TYR 27 -4.494 1.553 4.125 179 HD2 TYR 27 HD2 TYR 27 -0.645 1.387 2.290 180 HE1 TYR 27 HE1 TYR 27 -3.486 2.765 6.089 181 HE2 TYR 27 HE2 TYR 27 0.324 2.681 4.215 182 HH TYR 27 HH TYR 27 -0.210 3.924 6.112 183 H CYS 28 H CYS 28 -5.654 -1.011 1.166 184 HA CYS 28 HA CYS 28 -4.281 -2.553 -0.858 185 1HB CYS 28 HB2 CYS 28 -5.205 -3.288 1.374 186 2HB CYS 28 HB1 CYS 28 -6.639 -3.448 0.608 187 H GLY 29 H GLY 29 -4.831 -0.861 -2.376 188 1HA GLY 29 HA3 GLY 29 -5.706 -0.448 -4.521 189 2HA GLY 29 HA2 GLY 29 -6.719 -1.900 -4.378 190 H ARG 30 H ARG 30 -8.465 -1.724 -2.787 191 HA ARG 30 HA ARG 30 -9.092 0.773 -1.652 192 1HB ARG 30 HB2 ARG 30 -10.238 0.870 -3.924 193 2HB ARG 30 HB1 ARG 30 -11.383 -0.084 -3.256 194 1HG ARG 30 HG2 ARG 30 -12.237 1.995 -2.985 195 2HG ARG 30 HG1 ARG 30 -11.583 1.676 -1.522 196 1HD ARG 30 HD2 ARG 30 -10.256 3.267 -3.525 197 2HD ARG 30 HD1 ARG 30 -11.123 3.913 -2.300 198 HE ARG 30 HE ARG 30 -9.386 2.547 -0.867 199 1HH1 ARG 30 2HH2 ARG 30 -8.695 4.786 -3.503 200 2HH1 ARG 30 1HH2 ARG 30 -6.990 4.663 -3.224 201 1HH2 ARG 30 2HH1 ARG 30 -7.217 2.359 -0.708 202 2HH2 ARG 30 1HH1 ARG 30 -6.183 3.336 -1.696 203 1HN NH2 31 1HN NH2 31 -8.952 -2.444 -1.223 204 2HN NH2 31 2HN NH2 31 -10.196 -2.576 0.004 205 H1 NAG 32 H1 NAG 32 -7.520 15.799 2.867 206 H2 NAG 32 H2 NAG 32 -7.839 13.141 1.449 207 H3 NAG 32 H3 NAG 32 -6.210 13.632 3.972 208 H4 NAG 32 H4 NAG 32 -5.125 13.142 1.161 209 H5 NAG 32 H5 NAG 32 -5.225 15.762 2.697 210 1H6 NAG 32 1H6 NAG 32 -4.298 16.666 0.531 211 2H6 NAG 32 2H6 NAG 32 -4.003 14.997 0.013 212 1H8 NAG 32 1H8 NAG 32 -10.407 13.279 5.459 213 2H8 NAG 32 2H8 NAG 32 -11.370 13.088 3.963 214 3H8 NAG 32 3H8 NAG 32 -10.969 11.669 4.954 215 HN2 NAG 32 HN2 NAG 32 -9.384 14.355 3.462 216 HO1 NAG 32 HO1 NAG 32 -8.328 16.005 0.509 217 HO3 NAG 32 HO3 NAG 32 -7.281 11.577 3.128 218 HO6 NAG 32 HO6 NAG 32 -2.785 14.850 2.077 219 H1 NAG 33 H1 NAG 33 -3.382 11.788 1.734 220 H2 NAG 33 H2 NAG 33 -1.655 12.840 4.013 221 H3 NAG 33 H3 NAG 33 -1.094 10.549 2.091 222 H4 NAG 33 H4 NAG 33 -1.713 10.554 5.088 223 H5 NAG 33 H5 NAG 33 -3.402 9.725 2.697 224 1H6 NAG 33 1H6 NAG 33 -4.064 9.747 5.669 225 2H6 NAG 33 2H6 NAG 33 -3.974 8.308 4.620 226 1H8 NAG 33 1H8 NAG 33 0.910 13.994 0.327 227 2H8 NAG 33 2H8 NAG 33 -0.259 14.123 -1.011 228 3H8 NAG 33 3H8 NAG 33 -0.357 15.270 0.347 229 HN2 NAG 33 HN2 NAG 33 -0.267 13.921 2.460 230 HO3 NAG 33 HO3 NAG 33 0.492 10.321 3.946 231 HO6 NAG 33 HO6 NAG 33 -5.512 10.528 3.872 232 H1 NAG 34 H1 NAG 34 -1.247 8.469 6.023 233 H2 NAG 34 H2 NAG 34 0.368 6.760 4.082 234 H3 NAG 34 H3 NAG 34 -0.077 6.519 7.086 235 H4 NAG 34 H4 NAG 34 2.391 7.241 5.445 236 H5 NAG 34 H5 NAG 34 0.712 8.922 7.332 237 1H6 NAG 34 1H6 NAG 34 2.233 10.729 6.756 238 2H6 NAG 34 2H6 NAG 34 3.117 9.695 5.625 239 1H8 NAG 34 1H8 NAG 34 -3.926 6.045 3.380 240 2H8 NAG 34 2H8 NAG 34 -3.478 4.385 2.881 241 3H8 NAG 34 3H8 NAG 34 -3.693 4.778 4.613 242 HN2 NAG 34 HN2 NAG 34 -2.162 6.031 5.587 243 HO4 NAG 34 HO4 NAG 34 3.102 7.567 7.736 244 HO3 NAG 34 HO3 NAG 34 1.840 5.232 6.686 245 HO6 NAG 34 HO6 NAG 34 4.110 9.972 7.719 Start of MODEL 13 1 1H VAL 1 H1 VAL 1 7.617 8.052 7.625 2 2H VAL 1 H2 VAL 1 6.005 7.636 7.753 3 3H VAL 1 H3 VAL 1 6.827 7.428 6.328 4 HA VAL 1 HA VAL 1 8.059 5.689 7.050 5 HB VAL 1 HB VAL 1 7.896 4.848 9.395 6 1HG1 VAL 1 1HG1 VAL 1 9.580 6.364 10.244 7 2HG1 VAL 1 2HG1 VAL 1 9.829 6.128 8.508 8 3HG1 VAL 1 3HG1 VAL 1 9.103 7.637 9.111 9 1HG2 VAL 1 1HG2 VAL 1 5.870 6.088 10.169 10 2HG2 VAL 1 2HG2 VAL 1 7.278 6.383 11.190 11 3HG2 VAL 1 3HG2 VAL 1 6.764 7.621 10.039 12 H GLY 2 H GLY 2 7.220 3.892 6.462 13 1HA GLY 2 HA3 GLY 2 5.450 2.042 6.961 14 2HA GLY 2 HA2 GLY 2 4.273 3.349 6.834 15 H GLU 3 H GLU 3 7.093 3.354 4.707 16 HA GLU 3 HA GLU 3 5.401 3.624 2.429 17 1HB GLU 3 HB2 GLU 3 8.336 3.529 2.778 18 2HB GLU 3 HB1 GLU 3 7.582 3.985 1.403 19 1HG GLU 3 HG2 GLU 3 8.208 5.930 2.442 20 2HG GLU 3 HG1 GLU 3 6.593 5.812 2.654 21 H CYS 4 H CYS 4 5.861 2.500 0.352 22 HA CYS 4 HA CYS 4 6.555 -0.396 0.736 23 1HB CYS 4 HB2 CYS 4 4.936 0.916 -1.343 24 2HB CYS 4 HB1 CYS 4 5.347 -0.665 -1.352 25 H VAL 5 H VAL 5 7.618 -1.453 -0.907 26 HA VAL 5 HA VAL 5 9.990 -0.071 -1.958 27 HB VAL 5 HB VAL 5 9.155 -3.000 -2.167 28 1HG1 VAL 5 1HG1 VAL 5 11.838 -1.590 -2.602 29 2HG1 VAL 5 2HG1 VAL 5 11.584 -3.347 -2.606 30 3HG1 VAL 5 3HG1 VAL 5 10.853 -2.356 -3.869 31 1HG2 VAL 5 1HG2 VAL 5 10.823 -3.340 -0.356 32 2HG2 VAL 5 2HG2 VAL 5 10.995 -1.580 -0.197 33 3HG2 VAL 5 3HG2 VAL 5 9.451 -2.370 0.186 34 H ARG 6 H ARG 6 8.513 1.292 -3.184 35 HA ARG 6 HA ARG 6 7.585 2.043 -5.120 36 1HB ARG 6 HB2 ARG 6 8.716 1.303 -7.189 37 2HB ARG 6 HB1 ARG 6 9.676 1.969 -6.048 38 1HG ARG 6 HG2 ARG 6 10.913 0.300 -6.938 39 2HG ARG 6 HG1 ARG 6 10.396 -0.290 -5.505 40 1HD ARG 6 HD2 ARG 6 10.010 -2.074 -6.762 41 2HD ARG 6 HD1 ARG 6 8.578 -1.317 -6.974 42 HE ARG 6 HE ARG 6 10.736 -1.452 -8.884 43 1HH1 ARG 6 2HH2 ARG 6 7.366 -0.528 -8.393 44 2HH1 ARG 6 1HH2 ARG 6 7.084 -0.404 -10.097 45 1HH2 ARG 6 2HH1 ARG 6 10.265 -1.275 -11.039 46 2HH2 ARG 6 1HH1 ARG 6 8.677 -0.814 -11.552 47 H GLY 7 H GLY 7 6.210 0.214 -3.853 48 1HA GLY 7 HA3 GLY 7 3.865 -0.055 -4.801 49 2HA GLY 7 HA2 GLY 7 4.574 -1.059 -6.056 50 H ARG 8 H ARG 8 6.299 -2.311 -3.533 51 HA ARG 8 HA ARG 8 3.957 -3.829 -2.457 52 1HB ARG 8 HB2 ARG 8 6.333 -4.837 -3.754 53 2HB ARG 8 HB1 ARG 8 5.988 -5.574 -2.338 54 1HG ARG 8 HG2 ARG 8 4.319 -5.483 -4.668 55 2HG ARG 8 HG1 ARG 8 5.010 -6.814 -4.021 56 1HD ARG 8 HD2 ARG 8 2.744 -5.391 -2.986 57 2HD ARG 8 HD1 ARG 8 2.757 -6.921 -3.556 58 HE ARG 8 HE ARG 8 4.400 -6.807 -1.258 59 1HH1 ARG 8 2HH2 ARG 8 1.002 -6.851 -2.176 60 2HH1 ARG 8 1HH2 ARG 8 0.530 -7.521 -0.650 61 1HH2 ARG 8 2HH1 ARG 8 3.704 -7.596 0.664 62 2HH2 ARG 8 1HH1 ARG 8 2.025 -7.933 0.920 63 H CYS 9 H CYS 9 4.135 -4.744 -0.494 64 HA CYS 9 HA CYS 9 6.231 -3.724 1.377 65 1HB CYS 9 HB2 CYS 9 3.843 -2.926 1.543 66 2HB CYS 9 HB1 CYS 9 3.426 -4.448 1.963 67 HA PRO 10 HA PRO 10 6.557 -8.230 2.133 68 1HB PRO 10 HB2 PRO 10 6.593 -7.715 5.014 69 2HB PRO 10 HB1 PRO 10 7.666 -8.549 4.107 70 1HG PRO 10 HG2 PRO 10 8.319 -6.176 4.936 71 2HG PRO 10 HG1 PRO 10 8.758 -6.624 3.427 72 1HD PRO 10 HD2 PRO 10 6.461 -5.027 4.175 73 2HD PRO 10 HD1 PRO 10 7.505 -4.734 2.954 74 H SER 11 H SER 11 5.413 -9.977 3.497 75 HA SER 11 HA SER 11 3.531 -11.065 4.217 76 1HB SER 11 HB2 SER 11 4.221 -9.586 6.064 77 2HB SER 11 HB1 SER 11 3.023 -8.552 5.659 78 HG SER 11 HG SER 11 2.491 -10.115 7.298 79 H GLY 12 H GLY 12 1.157 -10.527 5.011 80 1HA GLY 12 HA3 GLY 12 -0.474 -10.335 2.590 81 2HA GLY 12 HA2 GLY 12 -1.058 -10.586 4.237 82 H MET 13 H MET 13 0.831 -7.874 2.872 83 HA MET 13 HA MET 13 -1.293 -5.946 3.747 84 1HB MET 13 HB2 MET 13 1.583 -5.512 3.176 85 2HB MET 13 HB1 MET 13 0.532 -4.364 3.672 86 1HG MET 13 HG2 MET 13 1.224 -6.650 5.267 87 2HG MET 13 HG1 MET 13 1.954 -5.198 5.429 88 1HE MET 13 HE1 MET 13 0.879 -6.695 7.905 89 2HE MET 13 HE2 MET 13 1.611 -5.074 7.998 90 3HE MET 13 HE3 MET 13 0.037 -5.385 8.766 91 H CYS 14 H CYS 14 -1.348 -3.927 2.310 92 HA CYS 14 HA CYS 14 -0.778 -4.478 -0.558 93 1HB CYS 14 HB2 CYS 14 -3.143 -3.004 0.376 94 2HB CYS 14 HB1 CYS 14 -2.853 -3.622 -1.108 95 H CYS 15 H CYS 15 -0.771 -2.264 -1.777 96 HA CYS 15 HA CYS 15 0.470 -0.192 -0.041 97 1HB CYS 15 HB2 CYS 15 1.242 -1.300 -2.657 98 2HB CYS 15 HB1 CYS 15 1.850 0.107 -2.095 99 H SER 16 H SER 16 0.124 1.968 -0.542 100 HA SER 16 HA SER 16 -2.249 2.533 -2.223 101 1HB SER 16 HB2 SER 16 -2.315 4.521 -0.990 102 2HB SER 16 HB1 SER 16 -1.996 3.343 0.095 103 HG SER 16 HG SER 16 -0.752 5.087 0.529 104 H GLN 17 H GLN 17 -2.284 4.294 -3.801 105 HA GLN 17 HA GLN 17 0.066 4.826 -5.288 106 1HB GLN 17 HB2 GLN 17 -2.569 6.128 -5.061 107 2HB GLN 17 HB1 GLN 17 -1.407 6.805 -5.989 108 1HG GLN 17 HG2 GLN 17 -2.774 5.508 -7.363 109 2HG GLN 17 HG1 GLN 17 -1.309 4.792 -7.279 110 1HE2 GLN 17 1HE2 GLN 17 -2.234 2.741 -7.995 111 2HE2 GLN 17 2HE2 GLN 17 -3.126 1.810 -6.805 112 1HN PFF 18 H PFF 18 -0.806 6.076 -2.194 113 HA PFF 18 HA PFF 18 0.908 8.460 -2.453 114 1HBC PFF 18 HB2 PFF 18 -0.297 7.247 0.052 115 2HBC PFF 18 HB3 PFF 18 0.316 8.885 -0.168 116 HD1 PFF 18 HD1 PFF 18 -0.857 10.336 -2.010 117 HD2 PFF 18 HD2 PFF 18 -2.589 6.754 -0.357 118 HE1 PFF 18 HE1 PFF 18 -3.039 10.912 -3.034 119 HE2 PFF 18 HE2 PFF 18 -4.780 7.353 -1.353 120 H GLY 19 H GLY 19 1.480 5.150 -2.241 121 1HA GLY 19 HA3 GLY 19 3.617 4.250 -2.272 122 2HA GLY 19 HA2 GLY 19 4.266 5.675 -1.457 123 1HN PFF 20 H PFF 20 1.440 4.428 0.195 124 HA PFF 20 HA PFF 20 3.329 3.422 2.279 125 1HBC PFF 20 HB2 PFF 20 0.634 4.788 2.424 126 2HBC PFF 20 HB3 PFF 20 1.420 3.999 3.784 127 HD1 PFF 20 HD1 PFF 20 1.646 6.896 1.497 128 HD2 PFF 20 HD2 PFF 20 3.339 4.892 4.912 129 HE1 PFF 20 HE1 PFF 20 3.065 8.878 1.961 130 HE2 PFF 20 HE2 PFF 20 4.760 6.865 5.366 131 H CYS 21 H CYS 21 2.594 1.807 3.725 132 HA CYS 21 HA CYS 21 1.268 -0.415 2.268 133 1HB CYS 21 HB2 CYS 21 3.506 -0.737 2.901 134 2HB CYS 21 HB1 CYS 21 3.256 -0.237 4.435 135 H GLY 22 H GLY 22 -0.433 -1.554 3.078 136 1HA GLY 22 HA3 GLY 22 -0.632 -2.189 5.806 137 2HA GLY 22 HA2 GLY 22 -1.821 -0.908 5.520 138 H LYS 23 H LYS 23 -2.637 -3.431 6.344 139 HA LYS 23 HA LYS 23 -3.952 -4.590 3.911 140 1HB LYS 23 HB2 LYS 23 -2.819 -6.081 5.536 141 2HB LYS 23 HB1 LYS 23 -3.959 -5.703 6.644 142 1HG LYS 23 HG2 LYS 23 -5.604 -6.431 4.908 143 2HG LYS 23 HG1 LYS 23 -4.329 -7.150 4.185 144 1HD LYS 23 HD2 LYS 23 -5.500 -8.708 5.536 145 2HD LYS 23 HD1 LYS 23 -3.980 -8.496 6.095 146 1HE LYS 23 HE2 LYS 23 -5.675 -8.554 7.836 147 2HE LYS 23 HE1 LYS 23 -4.728 -7.224 7.877 148 1HZ LYS 23 HZ1 LYS 23 -6.410 -5.949 6.856 149 2HZ LYS 23 HZ2 LYS 23 -7.354 -7.287 6.719 150 3HZ LYS 23 HZ3 LYS 23 -7.010 -6.664 8.203 151 H GLY 24 H GLY 24 -4.975 -2.280 4.078 152 1HA GLY 24 HA3 GLY 24 -7.661 -2.685 5.203 153 2HA GLY 24 HA2 GLY 24 -6.775 -1.283 5.832 154 HA PRO 25 HA PRO 25 -9.535 -0.893 1.928 155 1HB PRO 25 HB2 PRO 25 -10.283 1.524 3.461 156 2HB PRO 25 HB1 PRO 25 -11.204 0.641 2.442 157 1HG PRO 25 HG2 PRO 25 -11.406 0.154 4.970 158 2HG PRO 25 HG1 PRO 25 -11.376 -1.121 3.950 159 1HD PRO 25 HD2 PRO 25 -9.234 -0.138 5.591 160 2HD PRO 25 HD1 PRO 25 -9.552 -1.690 5.195 161 H LYS 26 H LYS 26 -8.036 2.119 3.351 162 HA LYS 26 HA LYS 26 -7.627 3.168 0.731 163 1HB LYS 26 HB2 LYS 26 -6.470 4.060 3.289 164 2HB LYS 26 HB1 LYS 26 -6.555 4.941 1.916 165 1HG LYS 26 HG2 LYS 26 -9.035 4.536 2.099 166 2HG LYS 26 HG1 LYS 26 -8.706 4.206 3.665 167 1HD LYS 26 HD2 LYS 26 -8.994 6.357 3.995 168 2HD LYS 26 HD1 LYS 26 -7.499 6.521 3.357 169 1HE LYS 26 HE2 LYS 26 -9.937 6.710 1.828 170 2HE LYS 26 HE1 LYS 26 -9.063 8.000 2.317 171 1HZ LYS 26 HZ1 LYS 26 -8.569 7.642 0.121 172 2HZ LYS 26 HZ2 LYS 26 -7.245 7.230 0.988 173 3HZ LYS 26 HZ3 LYS 26 -8.256 6.044 0.364 174 H TYR 27 H TYR 27 -5.756 0.836 2.362 175 HA TYR 27 HA TYR 27 -3.280 1.520 0.833 176 1HB TYR 27 HB2 TYR 27 -3.892 -0.628 2.775 177 2HB TYR 27 HB1 TYR 27 -2.435 -0.378 2.081 178 HD1 TYR 27 HD1 TYR 27 -1.194 1.789 2.464 179 HD2 TYR 27 HD2 TYR 27 -4.614 0.542 4.756 180 HE1 TYR 27 HE1 TYR 27 -0.646 3.481 4.221 181 HE2 TYR 27 HE2 TYR 27 -4.150 2.373 6.406 182 HH TYR 27 HH TYR 27 -1.307 4.471 6.132 183 H CYS 28 H CYS 28 -5.825 -0.923 1.144 184 HA CYS 28 HA CYS 28 -4.712 -2.410 -1.122 185 1HB CYS 28 HB2 CYS 28 -5.601 -3.199 1.159 186 2HB CYS 28 HB1 CYS 28 -7.050 -3.223 0.406 187 H GLY 29 H GLY 29 -7.929 -0.933 -0.376 188 1HA GLY 29 HA3 GLY 29 -8.706 -1.282 -3.246 189 2HA GLY 29 HA2 GLY 29 -9.794 -0.968 -1.900 190 H ARG 30 H ARG 30 -7.497 1.090 -1.135 191 HA ARG 30 HA ARG 30 -6.861 3.270 -1.472 192 1HB ARG 30 HB2 ARG 30 -8.203 3.110 -4.094 193 2HB ARG 30 HB1 ARG 30 -7.423 4.434 -3.542 194 1HG ARG 30 HG2 ARG 30 -5.786 3.596 -4.744 195 2HG ARG 30 HG1 ARG 30 -5.490 2.782 -3.359 196 1HD ARG 30 HD2 ARG 30 -7.225 1.370 -5.001 197 2HD ARG 30 HD1 ARG 30 -5.813 1.680 -5.761 198 HE ARG 30 HE ARG 30 -6.209 -0.366 -3.933 199 1HH1 ARG 30 2HH2 ARG 30 -3.703 2.067 -4.525 200 2HH1 ARG 30 1HH2 ARG 30 -2.487 1.022 -3.870 201 1HH2 ARG 30 2HH1 ARG 30 -4.564 -1.543 -3.103 202 2HH2 ARG 30 1HH1 ARG 30 -2.950 -0.915 -3.106 203 1HN NH2 31 1HN NH2 31 -10.231 2.741 -2.603 204 2HN NH2 31 2HN NH2 31 -10.915 4.005 -1.575 205 H1 NAG 32 H1 NAG 32 -8.854 13.786 -1.239 206 H2 NAG 32 H2 NAG 32 -7.942 10.892 -1.474 207 H3 NAG 32 H3 NAG 32 -7.613 12.855 0.831 208 H4 NAG 32 H4 NAG 32 -5.605 11.557 -1.067 209 H5 NAG 32 H5 NAG 32 -6.543 14.437 -0.733 210 1H6 NAG 32 1H6 NAG 32 -4.139 14.326 -1.363 211 2H6 NAG 32 2H6 NAG 32 -5.144 14.904 -2.701 212 1H8 NAG 32 1H8 NAG 32 -11.466 10.455 1.463 213 2H8 NAG 32 2H8 NAG 32 -12.133 10.491 -0.198 214 3H8 NAG 32 3H8 NAG 32 -11.679 8.941 0.545 215 HN2 NAG 32 HN2 NAG 32 -10.293 12.092 -0.069 216 HO1 NAG 32 HO1 NAG 32 -8.780 13.097 -3.596 217 HO3 NAG 32 HO3 NAG 32 -6.381 11.169 1.628 218 HO6 NAG 32 HO6 NAG 32 -5.149 12.747 -3.487 219 H1 NAG 33 H1 NAG 33 -3.625 11.245 -0.080 220 H2 NAG 33 H2 NAG 33 -3.157 12.703 2.537 221 H3 NAG 33 H3 NAG 33 -1.497 10.544 1.171 222 H4 NAG 33 H4 NAG 33 -3.142 10.311 3.738 223 H5 NAG 33 H5 NAG 33 -3.603 9.199 0.941 224 1H6 NAG 33 1H6 NAG 33 -5.376 9.000 3.408 225 2H6 NAG 33 2H6 NAG 33 -4.488 7.655 2.667 226 1H8 NAG 33 1H8 NAG 33 -1.334 14.992 -1.017 227 2H8 NAG 33 2H8 NAG 33 -1.432 16.326 0.160 228 3H8 NAG 33 3H8 NAG 33 -0.170 15.082 0.347 229 HN2 NAG 33 HN2 NAG 33 -1.199 12.833 0.288 230 HO3 NAG 33 HO3 NAG 33 -0.541 10.658 3.328 231 HO6 NAG 33 HO6 NAG 33 -6.398 9.278 1.310 232 H1 NAG 34 H1 NAG 34 -2.271 8.581 4.994 233 H2 NAG 34 H2 NAG 34 -0.206 6.857 3.557 234 H3 NAG 34 H3 NAG 34 -1.190 6.974 6.445 235 H4 NAG 34 H4 NAG 34 1.485 7.585 5.106 236 H5 NAG 34 H5 NAG 34 -0.513 9.380 6.530 237 1H6 NAG 34 1H6 NAG 34 0.995 11.188 5.896 238 2H6 NAG 34 2H6 NAG 34 2.056 10.065 5.029 239 1H8 NAG 34 1H8 NAG 34 -4.444 5.333 3.366 240 2H8 NAG 34 2H8 NAG 34 -4.058 5.007 1.652 241 3H8 NAG 34 3H8 NAG 34 -3.591 3.832 2.903 242 HN2 NAG 34 HN2 NAG 34 -2.669 5.677 4.790 243 HO4 NAG 34 HO4 NAG 34 1.848 8.237 7.406 244 HO3 NAG 34 HO3 NAG 34 0.812 5.716 6.547 245 HO6 NAG 34 HO6 NAG 34 2.725 10.704 7.191 Start of MODEL 14 1 1H VAL 1 H1 VAL 1 9.145 9.896 0.553 2 2H VAL 1 H2 VAL 1 8.236 8.936 1.569 3 3H VAL 1 H3 VAL 1 9.152 8.252 0.381 4 HA VAL 1 HA VAL 1 11.145 8.755 1.365 5 HB VAL 1 HB VAL 1 10.588 10.946 2.248 6 1HG1 VAL 1 1HG1 VAL 1 8.322 10.530 3.191 7 2HG1 VAL 1 2HG1 VAL 1 9.053 9.555 4.486 8 3HG1 VAL 1 3HG1 VAL 1 9.417 11.278 4.356 9 1HG2 VAL 1 1HG2 VAL 1 12.547 9.701 3.131 10 2HG2 VAL 1 2HG2 VAL 1 11.865 10.838 4.304 11 3HG2 VAL 1 3HG2 VAL 1 11.548 9.106 4.479 12 H GLY 2 H GLY 2 11.892 6.921 2.226 13 1HA GLY 2 HA3 GLY 2 11.938 4.911 3.403 14 2HA GLY 2 HA2 GLY 2 10.425 5.336 4.226 15 H GLU 3 H GLU 3 8.610 5.570 2.751 16 HA GLU 3 HA GLU 3 6.883 4.348 1.855 17 1HB GLU 3 HB2 GLU 3 6.793 4.902 -0.381 18 2HB GLU 3 HB1 GLU 3 7.604 6.089 0.393 19 1HG GLU 3 HG2 GLU 3 8.916 4.167 -1.269 20 2HG GLU 3 HG1 GLU 3 8.384 5.604 -1.833 21 H CYS 4 H CYS 4 5.987 2.860 0.252 22 HA CYS 4 HA CYS 4 6.243 0.263 0.812 23 1HB CYS 4 HB2 CYS 4 5.706 1.403 -1.864 24 2HB CYS 4 HB1 CYS 4 5.342 -0.131 -1.439 25 H VAL 5 H VAL 5 6.818 -1.649 -0.716 26 HA VAL 5 HA VAL 5 9.646 -1.528 -1.593 27 HB VAL 5 HB VAL 5 7.649 -3.812 -1.720 28 1HG1 VAL 5 1HG1 VAL 5 9.519 -4.070 -3.368 29 2HG1 VAL 5 2HG1 VAL 5 10.688 -3.721 -2.079 30 3HG1 VAL 5 3HG1 VAL 5 9.700 -5.192 -2.021 31 1HG2 VAL 5 1HG2 VAL 5 9.909 -3.243 0.239 32 2HG2 VAL 5 2HG2 VAL 5 8.180 -3.170 0.620 33 3HG2 VAL 5 3HG2 VAL 5 8.921 -4.716 0.187 34 H ARG 6 H ARG 6 8.614 0.366 -2.802 35 HA ARG 6 HA ARG 6 8.017 1.479 -4.645 36 1HB ARG 6 HB2 ARG 6 9.780 -0.605 -5.719 37 2HB ARG 6 HB1 ARG 6 9.227 0.621 -6.646 38 1HG ARG 6 HG2 ARG 6 11.241 1.384 -5.937 39 2HG ARG 6 HG1 ARG 6 10.183 2.128 -4.940 40 1HD ARG 6 HD2 ARG 6 11.352 -0.256 -3.966 41 2HD ARG 6 HD1 ARG 6 12.335 1.044 -4.066 42 HE ARG 6 HE ARG 6 10.318 0.623 -2.080 43 1HH1 ARG 6 2HH2 ARG 6 12.185 3.254 -3.485 44 2HH1 ARG 6 1HH2 ARG 6 12.043 4.149 -2.008 45 1HH2 ARG 6 2HH1 ARG 6 10.204 1.808 -0.345 46 2HH2 ARG 6 1HH1 ARG 6 10.966 3.363 -0.302 47 H GLY 7 H GLY 7 6.129 0.088 -3.690 48 1HA GLY 7 HA3 GLY 7 3.834 0.160 -4.548 49 2HA GLY 7 HA2 GLY 7 4.364 -0.619 -6.018 50 H ARG 8 H ARG 8 5.948 -2.382 -3.619 51 HA ARG 8 HA ARG 8 3.597 -4.165 -3.037 52 1HB ARG 8 HB2 ARG 8 6.439 -4.710 -3.598 53 2HB ARG 8 HB1 ARG 8 5.629 -5.698 -2.580 54 1HG ARG 8 HG2 ARG 8 5.143 -6.846 -4.370 55 2HG ARG 8 HG1 ARG 8 4.030 -5.685 -4.651 56 1HD ARG 8 HD2 ARG 8 6.671 -5.381 -5.706 57 2HD ARG 8 HD1 ARG 8 5.587 -6.303 -6.508 58 HE ARG 8 HE ARG 8 4.165 -4.356 -6.764 59 1HH1 ARG 8 2HH2 ARG 8 7.491 -3.631 -5.845 60 2HH1 ARG 8 1HH2 ARG 8 7.502 -2.171 -6.776 61 1HH2 ARG 8 2HH1 ARG 8 4.325 -2.454 -7.959 62 2HH2 ARG 8 1HH1 ARG 8 5.792 -1.534 -7.917 63 H CYS 9 H CYS 9 4.100 -5.361 -0.820 64 HA CYS 9 HA CYS 9 6.080 -4.085 0.822 65 1HB CYS 9 HB2 CYS 9 3.288 -3.514 1.222 66 2HB CYS 9 HB1 CYS 9 4.021 -4.096 2.560 67 HA PRO 10 HA PRO 10 6.136 -8.276 2.234 68 1HB PRO 10 HB2 PRO 10 6.922 -8.099 4.774 69 2HB PRO 10 HB1 PRO 10 7.941 -7.693 3.564 70 1HG PRO 10 HG2 PRO 10 6.374 -5.888 5.204 71 2HG PRO 10 HG1 PRO 10 7.942 -5.720 4.780 72 1HD PRO 10 HD2 PRO 10 6.063 -4.464 3.450 73 2HD PRO 10 HD1 PRO 10 7.421 -4.965 2.694 74 H SER 11 H SER 11 5.241 -9.831 3.893 75 HA SER 11 HA SER 11 3.313 -10.865 4.629 76 1HB SER 11 HB2 SER 11 3.902 -9.427 6.516 77 2HB SER 11 HB1 SER 11 2.831 -8.309 5.996 78 HG SER 11 HG SER 11 2.054 -9.837 7.590 79 H GLY 12 H GLY 12 0.865 -10.121 5.180 80 1HA GLY 12 HA3 GLY 12 -0.449 -10.062 2.591 81 2HA GLY 12 HA2 GLY 12 -1.260 -9.975 4.155 82 H MET 13 H MET 13 1.123 -7.517 3.052 83 HA MET 13 HA MET 13 -0.982 -5.476 3.572 84 1HB MET 13 HB2 MET 13 1.922 -5.123 3.141 85 2HB MET 13 HB1 MET 13 0.872 -3.991 3.675 86 1HG MET 13 HG2 MET 13 1.614 -6.356 5.133 87 2HG MET 13 HG1 MET 13 2.164 -4.853 5.460 88 1HE MET 13 HE1 MET 13 1.688 -5.130 8.016 89 2HE MET 13 HE2 MET 13 0.105 -5.656 8.634 90 3HE MET 13 HE3 MET 13 1.099 -6.775 7.671 91 H CYS 14 H CYS 14 -1.073 -3.606 2.139 92 HA CYS 14 HA CYS 14 -0.354 -4.147 -0.706 93 1HB CYS 14 HB2 CYS 14 -2.955 -3.015 0.066 94 2HB CYS 14 HB1 CYS 14 -2.530 -3.727 -1.341 95 H CYS 15 H CYS 15 -0.189 -2.090 -1.947 96 HA CYS 15 HA CYS 15 0.756 0.119 -0.177 97 1HB CYS 15 HB2 CYS 15 2.306 -0.969 -1.699 98 2HB CYS 15 HB1 CYS 15 1.398 -0.530 -2.984 99 H SER 16 H SER 16 0.394 2.368 -0.896 100 HA SER 16 HA SER 16 -2.031 2.706 -2.631 101 1HB SER 16 HB2 SER 16 -2.639 4.461 -1.286 102 2HB SER 16 HB1 SER 16 -2.052 3.413 -0.180 103 HG SER 16 HG SER 16 -1.142 5.226 0.412 104 H GLN 17 H GLN 17 -2.163 4.872 -3.698 105 HA GLN 17 HA GLN 17 0.027 5.531 -5.373 106 1HB GLN 17 HB2 GLN 17 -2.373 7.031 -4.511 107 2HB GLN 17 HB1 GLN 17 -1.322 7.628 -5.610 108 1HG GLN 17 HG2 GLN 17 -1.800 5.817 -7.066 109 2HG GLN 17 HG1 GLN 17 -2.828 5.191 -5.962 110 1HE2 GLN 17 1HE2 GLN 17 -2.853 6.863 -8.800 111 2HE2 GLN 17 2HE2 GLN 17 -4.341 7.757 -8.503 112 1HN PFF 18 H PFF 18 -0.317 6.245 -1.987 113 HA PFF 18 HA PFF 18 1.382 8.674 -2.205 114 1HBC PFF 18 HB2 PFF 18 0.007 7.327 0.126 115 2HBC PFF 18 HB3 PFF 18 0.873 8.859 0.213 116 HD1 PFF 18 HD1 PFF 18 0.027 10.749 -1.424 117 HD2 PFF 18 HD2 PFF 18 -2.273 7.214 -0.545 118 HE1 PFF 18 HE1 PFF 18 -1.911 11.698 -2.653 119 HE2 PFF 18 HE2 PFF 18 -4.226 8.195 -1.716 120 H GLY 19 H GLY 19 1.988 5.413 -2.328 121 1HA GLY 19 HA3 GLY 19 4.009 4.304 -2.037 122 2HA GLY 19 HA2 GLY 19 4.736 5.794 -1.416 123 1HN PFF 20 H PFF 20 1.791 4.919 0.221 124 HA PFF 20 HA PFF 20 3.388 3.798 2.474 125 1HBC PFF 20 HB2 PFF 20 0.605 5.027 2.312 126 2HBC PFF 20 HB3 PFF 20 1.392 4.469 3.781 127 HD1 PFF 20 HD1 PFF 20 4.029 5.549 3.783 128 HD2 PFF 20 HD2 PFF 20 0.476 7.399 2.232 129 HE1 PFF 20 HE1 PFF 20 4.845 7.765 4.561 130 HE2 PFF 20 HE2 PFF 20 1.334 9.617 2.910 131 H CYS 21 H CYS 21 2.365 1.905 3.609 132 HA CYS 21 HA CYS 21 0.354 0.480 1.970 133 1HB CYS 21 HB2 CYS 21 1.685 -1.457 1.919 134 2HB CYS 21 HB1 CYS 21 2.594 -0.246 1.308 135 H GLY 22 H GLY 22 -0.525 -1.427 2.985 136 1HA GLY 22 HA3 GLY 22 -0.139 -2.204 5.675 137 2HA GLY 22 HA2 GLY 22 -1.377 -0.935 5.676 138 H LYS 23 H LYS 23 -2.351 -3.212 6.552 139 HA LYS 23 HA LYS 23 -3.150 -5.053 4.525 140 1HB LYS 23 HB2 LYS 23 -2.996 -5.592 6.895 141 2HB LYS 23 HB1 LYS 23 -4.278 -4.637 7.230 142 1HG LYS 23 HG2 LYS 23 -5.102 -6.773 7.258 143 2HG LYS 23 HG1 LYS 23 -5.614 -6.140 5.841 144 1HD LYS 23 HD2 LYS 23 -3.236 -7.351 5.346 145 2HD LYS 23 HD1 LYS 23 -4.132 -8.407 6.212 146 1HE LYS 23 HE2 LYS 23 -4.654 -8.950 4.076 147 2HE LYS 23 HE1 LYS 23 -5.904 -7.995 4.514 148 1HZ LYS 23 HZ1 LYS 23 -4.961 -6.177 3.376 149 2HZ LYS 23 HZ2 LYS 23 -3.628 -7.105 3.018 150 3HZ LYS 23 HZ3 LYS 23 -5.083 -7.446 2.342 151 H GLY 24 H GLY 24 -4.590 -2.325 5.733 152 1HA GLY 24 HA3 GLY 24 -7.284 -3.124 5.384 153 2HA GLY 24 HA2 GLY 24 -6.787 -1.503 5.872 154 HA PRO 25 HA PRO 25 -9.061 -1.870 1.655 155 1HB PRO 25 HB2 PRO 25 -10.788 0.005 3.144 156 2HB PRO 25 HB1 PRO 25 -11.208 -1.079 1.997 157 1HG PRO 25 HG2 PRO 25 -11.578 -1.730 4.468 158 2HG PRO 25 HG1 PRO 25 -10.992 -2.870 3.455 159 1HD PRO 25 HD2 PRO 25 -9.521 -1.292 5.359 160 2HD PRO 25 HD1 PRO 25 -9.284 -2.863 4.977 161 H LYS 26 H LYS 26 -8.319 1.024 3.694 162 HA LYS 26 HA LYS 26 -8.260 2.851 1.524 163 1HB LYS 26 HB2 LYS 26 -7.093 2.827 4.224 164 2HB LYS 26 HB1 LYS 26 -6.591 3.984 3.187 165 1HG LYS 26 HG2 LYS 26 -9.349 3.558 3.900 166 2HG LYS 26 HG1 LYS 26 -8.414 4.728 4.554 167 1HD LYS 26 HD2 LYS 26 -9.242 4.598 1.794 168 2HD LYS 26 HD1 LYS 26 -9.789 5.673 2.896 169 1HE LYS 26 HE2 LYS 26 -8.324 6.992 1.910 170 2HE LYS 26 HE1 LYS 26 -7.301 6.292 2.974 171 1HZ LYS 26 HZ1 LYS 26 -6.528 4.811 1.246 172 2HZ LYS 26 HZ2 LYS 26 -7.568 5.483 0.211 173 3HZ LYS 26 HZ3 LYS 26 -6.351 6.409 0.856 174 H TYR 27 H TYR 27 -5.960 0.412 2.284 175 HA TYR 27 HA TYR 27 -4.110 1.583 0.239 176 1HB TYR 27 HB2 TYR 27 -3.691 -0.863 1.828 177 2HB TYR 27 HB1 TYR 27 -2.583 -0.010 0.985 178 HD1 TYR 27 HD1 TYR 27 -1.691 2.171 1.834 179 HD2 TYR 27 HD2 TYR 27 -4.306 -0.358 4.104 180 HE1 TYR 27 HE1 TYR 27 -0.811 3.171 3.953 181 HE2 TYR 27 HE2 TYR 27 -3.637 0.867 6.198 182 HH TYR 27 HH TYR 27 -1.160 3.406 6.174 183 H CYS 28 H CYS 28 -5.717 -1.488 1.204 184 HA CYS 28 HA CYS 28 -4.868 -2.678 -1.258 185 1HB CYS 28 HB2 CYS 28 -5.176 -3.554 1.143 186 2HB CYS 28 HB1 CYS 28 -6.693 -3.922 0.664 187 H GLY 29 H GLY 29 -7.799 -1.082 -0.381 188 1HA GLY 29 HA3 GLY 29 -8.902 -1.749 -3.078 189 2HA GLY 29 HA2 GLY 29 -9.938 -1.426 -1.677 190 H ARG 30 H ARG 30 -6.946 0.325 -1.849 191 HA ARG 30 HA ARG 30 -6.377 2.448 -1.937 192 1HB ARG 30 HB2 ARG 30 -6.672 1.972 -4.250 193 2HB ARG 30 HB1 ARG 30 -8.262 2.347 -4.219 194 1HG ARG 30 HG2 ARG 30 -7.018 4.057 -5.272 195 2HG ARG 30 HG1 ARG 30 -7.741 4.620 -3.920 196 1HD ARG 30 HD2 ARG 30 -5.654 4.360 -2.745 197 2HD ARG 30 HD1 ARG 30 -4.951 3.917 -4.151 198 HE ARG 30 HE ARG 30 -4.963 6.117 -4.927 199 1HH1 ARG 30 2HH2 ARG 30 -6.995 5.890 -2.064 200 2HH1 ARG 30 1HH2 ARG 30 -7.288 7.597 -2.085 201 1HH2 ARG 30 2HH1 ARG 30 -5.367 8.228 -4.854 202 2HH2 ARG 30 1HH1 ARG 30 -6.392 8.883 -3.622 203 1HN NH2 31 1HN NH2 31 -9.871 2.162 -1.495 204 2HN NH2 31 2HN NH2 31 -10.041 3.720 -0.704 205 H1 NAG 32 H1 NAG 32 -8.281 13.763 -1.041 206 H2 NAG 32 H2 NAG 32 -6.669 11.555 -2.346 207 H3 NAG 32 H3 NAG 32 -6.995 11.972 0.645 208 H4 NAG 32 H4 NAG 32 -4.537 12.408 -1.135 209 H5 NAG 32 H5 NAG 32 -6.441 14.335 0.261 210 1H6 NAG 32 1H6 NAG 32 -4.924 15.987 -1.157 211 2H6 NAG 32 2H6 NAG 32 -3.671 14.779 -0.838 212 1H8 NAG 32 1H8 NAG 32 -10.311 9.218 -0.775 213 2H8 NAG 32 2H8 NAG 32 -10.789 10.029 -2.295 214 3H8 NAG 32 3H8 NAG 32 -10.102 8.392 -2.344 215 HN2 NAG 32 HN2 NAG 32 -9.341 11.531 -0.992 216 HO1 NAG 32 HO1 NAG 32 -7.639 14.302 -3.371 217 HO3 NAG 32 HO3 NAG 32 -5.180 10.406 0.271 218 HO6 NAG 32 HO6 NAG 32 -3.790 15.285 1.285 219 H1 NAG 33 H1 NAG 33 -3.103 11.193 0.265 220 H2 NAG 33 H2 NAG 33 -2.832 12.445 3.008 221 H3 NAG 33 H3 NAG 33 -1.192 10.165 1.865 222 H4 NAG 33 H4 NAG 33 -3.266 9.920 4.106 223 H5 NAG 33 H5 NAG 33 -3.266 9.005 1.199 224 1H6 NAG 33 1H6 NAG 33 -5.580 8.820 3.154 225 2H6 NAG 33 2H6 NAG 33 -4.493 7.474 2.801 226 1H8 NAG 33 1H8 NAG 33 0.719 14.471 1.493 227 2H8 NAG 33 2H8 NAG 33 -0.026 14.378 -0.137 228 3H8 NAG 33 3H8 NAG 33 -0.317 15.793 0.904 229 HN2 NAG 33 HN2 NAG 33 -0.507 12.312 1.176 230 HO3 NAG 33 HO3 NAG 33 -0.618 10.179 4.157 231 HO6 NAG 33 HO6 NAG 33 -6.036 8.863 0.835 232 H1 NAG 34 H1 NAG 34 -2.660 8.017 5.355 233 H2 NAG 34 H2 NAG 34 -0.506 6.401 3.929 234 H3 NAG 34 H3 NAG 34 -1.498 6.112 6.765 235 H4 NAG 34 H4 NAG 34 1.183 7.072 5.577 236 H5 NAG 34 H5 NAG 34 -1.021 8.434 7.193 237 1H6 NAG 34 1H6 NAG 34 0.359 10.432 7.057 238 2H6 NAG 34 2H6 NAG 34 1.592 9.580 6.114 239 1H8 NAG 34 1H8 NAG 34 -3.832 4.070 1.702 240 2H8 NAG 34 2H8 NAG 34 -4.015 3.682 3.434 241 3H8 NAG 34 3H8 NAG 34 -4.700 5.205 2.778 242 HN2 NAG 34 HN2 NAG 34 -3.075 5.232 4.896 243 HO4 NAG 34 HO4 NAG 34 1.401 7.323 8.014 244 HO3 NAG 34 HO3 NAG 34 0.558 4.957 6.698 245 HO6 NAG 34 HO6 NAG 34 2.038 9.820 8.395 Start of MODEL 15 1 1H VAL 1 H1 VAL 1 9.965 2.717 5.028 2 2H VAL 1 H2 VAL 1 11.079 1.904 4.230 3 3H VAL 1 H3 VAL 1 10.912 1.660 5.905 4 HA VAL 1 HA VAL 1 9.171 0.883 3.667 5 HB VAL 1 HB VAL 1 10.224 -0.760 6.013 6 1HG1 VAL 1 1HG1 VAL 1 9.280 -2.667 4.674 7 2HG1 VAL 1 2HG1 VAL 1 8.023 -1.588 5.282 8 3HG1 VAL 1 3HG1 VAL 1 8.524 -1.491 3.579 9 1HG2 VAL 1 1HG2 VAL 1 12.012 -0.262 4.391 10 2HG2 VAL 1 2HG2 VAL 1 11.489 -1.934 4.199 11 3HG2 VAL 1 3HG2 VAL 1 10.938 -0.706 3.042 12 H GLY 2 H GLY 2 7.123 1.107 3.825 13 1HA GLY 2 HA3 GLY 2 5.083 1.209 5.524 14 2HA GLY 2 HA2 GLY 2 6.100 2.499 6.221 15 H GLU 3 H GLU 3 7.321 3.624 4.090 16 HA GLU 3 HA GLU 3 5.456 4.271 1.924 17 1HB GLU 3 HB2 GLU 3 7.223 5.336 1.025 18 2HB GLU 3 HB1 GLU 3 7.547 5.537 2.613 19 1HG GLU 3 HG2 GLU 3 8.903 3.725 0.847 20 2HG GLU 3 HG1 GLU 3 9.529 5.101 1.464 21 H CYS 4 H CYS 4 5.566 3.086 -0.124 22 HA CYS 4 HA CYS 4 5.622 0.301 0.489 23 1HB CYS 4 HB2 CYS 4 5.461 1.441 -2.218 24 2HB CYS 4 HB1 CYS 4 4.916 -0.018 -1.727 25 H VAL 5 H VAL 5 6.713 -1.426 -0.584 26 HA VAL 5 HA VAL 5 9.614 -0.986 -0.921 27 HB VAL 5 HB VAL 5 8.018 -3.577 -0.856 28 1HG1 VAL 5 1HG1 VAL 5 10.248 -3.809 -1.979 29 2HG1 VAL 5 2HG1 VAL 5 11.017 -2.988 -0.605 30 3HG1 VAL 5 3HG1 VAL 5 10.257 -4.577 -0.392 31 1HG2 VAL 5 1HG2 VAL 5 7.880 -2.396 1.310 32 2HG2 VAL 5 2HG2 VAL 5 8.941 -3.804 1.433 33 3HG2 VAL 5 3HG2 VAL 5 9.640 -2.176 1.310 34 H ARG 6 H ARG 6 8.516 0.359 -2.740 35 HA ARG 6 HA ARG 6 8.531 0.838 -4.966 36 1HB ARG 6 HB2 ARG 6 10.685 -1.184 -4.863 37 2HB ARG 6 HB1 ARG 6 10.453 -0.154 -6.110 38 1HG ARG 6 HG2 ARG 6 12.023 0.958 -4.984 39 2HG ARG 6 HG1 ARG 6 10.681 1.618 -4.327 40 1HD ARG 6 HD2 ARG 6 11.668 -0.584 -2.897 41 2HD ARG 6 HD1 ARG 6 12.686 0.694 -2.924 42 HE ARG 6 HE ARG 6 9.983 1.239 -2.028 43 1HH1 ARG 6 2HH2 ARG 6 13.340 0.947 -0.985 44 2HH1 ARG 6 1HH2 ARG 6 12.929 1.512 0.600 45 1HH2 ARG 6 2HH1 ARG 6 9.561 1.825 -0.041 46 2HH2 ARG 6 1HH1 ARG 6 10.832 1.998 1.123 47 H GLY 7 H GLY 7 6.609 -0.746 -4.226 48 1HA GLY 7 HA3 GLY 7 4.888 -1.399 -6.039 49 2HA GLY 7 HA2 GLY 7 6.069 -2.606 -6.540 50 H ARG 8 H ARG 8 6.571 -2.946 -3.345 51 HA ARG 8 HA ARG 8 4.053 -4.479 -2.817 52 1HB ARG 8 HB2 ARG 8 6.785 -5.432 -3.028 53 2HB ARG 8 HB1 ARG 8 6.019 -5.927 -1.673 54 1HG ARG 8 HG2 ARG 8 5.236 -6.483 -4.376 55 2HG ARG 8 HG1 ARG 8 5.739 -7.573 -3.269 56 1HD ARG 8 HD2 ARG 8 3.183 -6.275 -3.365 57 2HD ARG 8 HD1 ARG 8 3.475 -7.877 -3.490 58 HE ARG 8 HE ARG 8 4.268 -7.425 -0.953 59 1HH1 ARG 8 2HH2 ARG 8 1.270 -6.640 -2.652 60 2HH1 ARG 8 1HH2 ARG 8 0.350 -6.738 -1.188 61 1HH2 ARG 8 2HH1 ARG 8 2.968 -7.445 0.862 62 2HH2 ARG 8 1HH1 ARG 8 1.265 -7.171 0.705 63 H CYS 9 H CYS 9 4.317 -5.388 -0.469 64 HA CYS 9 HA CYS 9 6.149 -4.116 1.226 65 1HB CYS 9 HB2 CYS 9 3.476 -3.130 1.275 66 2HB CYS 9 HB1 CYS 9 3.875 -3.778 2.720 67 HA PRO 10 HA PRO 10 5.996 -7.964 3.269 68 1HB PRO 10 HB2 PRO 10 4.623 -6.879 5.649 69 2HB PRO 10 HB1 PRO 10 5.904 -7.890 5.584 70 1HG PRO 10 HG2 PRO 10 6.380 -5.386 5.957 71 2HG PRO 10 HG1 PRO 10 7.345 -6.190 4.913 72 1HD PRO 10 HD2 PRO 10 5.141 -4.448 4.278 73 2HD PRO 10 HD1 PRO 10 6.563 -4.578 3.484 74 H SER 11 H SER 11 4.698 -9.617 4.603 75 HA SER 11 HA SER 11 2.800 -10.861 3.048 76 1HB SER 11 HB2 SER 11 2.378 -12.083 5.144 77 2HB SER 11 HB1 SER 11 3.976 -11.909 4.857 78 HG SER 11 HG SER 11 2.513 -10.189 6.444 79 H GLY 12 H GLY 12 0.833 -10.109 2.424 80 1HA GLY 12 HA3 GLY 12 -1.455 -9.795 2.784 81 2HA GLY 12 HA2 GLY 12 -1.162 -9.616 4.513 82 H MET 13 H MET 13 0.976 -7.428 3.038 83 HA MET 13 HA MET 13 -0.974 -5.237 3.441 84 1HB MET 13 HB2 MET 13 1.884 -5.130 2.747 85 2HB MET 13 HB1 MET 13 0.949 -3.849 3.135 86 1HG MET 13 HG2 MET 13 0.527 -4.964 5.274 87 2HG MET 13 HG1 MET 13 1.722 -6.002 4.875 88 1HE MET 13 HE1 MET 13 3.353 -3.972 7.754 89 2HE MET 13 HE2 MET 13 1.646 -4.453 7.618 90 3HE MET 13 HE3 MET 13 2.932 -5.601 7.177 91 H CYS 14 H CYS 14 -1.090 -3.461 1.903 92 HA CYS 14 HA CYS 14 -0.408 -4.118 -0.924 93 1HB CYS 14 HB2 CYS 14 -2.800 -2.602 -0.078 94 2HB CYS 14 HB1 CYS 14 -2.352 -2.937 -1.612 95 H CYS 15 H CYS 15 -0.133 -2.061 -2.158 96 HA CYS 15 HA CYS 15 1.033 0.149 -0.543 97 1HB CYS 15 HB2 CYS 15 2.225 -0.837 -2.467 98 2HB CYS 15 HB1 CYS 15 1.031 -0.339 -3.463 99 H SER 16 H SER 16 0.292 2.393 -1.127 100 HA SER 16 HA SER 16 -2.503 2.461 -2.197 101 1HB SER 16 HB2 SER 16 -2.996 3.930 -0.525 102 2HB SER 16 HB1 SER 16 -1.934 2.977 0.269 103 HG SER 16 HG SER 16 -1.345 5.024 0.739 104 H GLN 17 H GLN 17 -3.195 4.626 -2.888 105 HA GLN 17 HA GLN 17 -1.755 5.925 -4.860 106 1HB GLN 17 HB2 GLN 17 -4.162 5.916 -4.277 107 2HB GLN 17 HB1 GLN 17 -3.867 6.965 -3.060 108 1HG GLN 17 HG2 GLN 17 -2.925 7.917 -5.492 109 2HG GLN 17 HG1 GLN 17 -4.536 7.649 -5.525 110 1HE2 GLN 17 1HE2 GLN 17 -2.002 9.517 -4.035 111 2HE2 GLN 17 2HE2 GLN 17 -3.115 10.756 -3.415 112 1HN PFF 18 H PFF 18 -1.064 6.119 -1.458 113 HA PFF 18 HA PFF 18 0.207 8.799 -1.770 114 1HBC PFF 18 HB2 PFF 18 -0.367 7.017 0.627 115 2HBC PFF 18 HB3 PFF 18 0.645 8.430 0.747 116 HD1 PFF 18 HD1 PFF 18 -2.821 7.267 0.335 117 HD2 PFF 18 HD2 PFF 18 -0.205 10.680 0.122 118 HE1 PFF 18 HE1 PFF 18 -4.688 8.652 -0.551 119 HE2 PFF 18 HE2 PFF 18 -2.067 12.057 -0.753 120 H GLY 19 H GLY 19 1.082 5.644 -2.532 121 1HA GLY 19 HA3 GLY 19 3.190 4.670 -2.788 122 2HA GLY 19 HA2 GLY 19 3.957 6.190 -2.293 123 1HN PFF 20 H PFF 20 1.465 4.914 -0.240 124 HA PFF 20 HA PFF 20 3.445 3.993 1.791 125 1HBC PFF 20 HB2 PFF 20 0.946 5.672 1.921 126 2HBC PFF 20 HB3 PFF 20 1.337 4.620 3.267 127 HD1 PFF 20 HD1 PFF 20 3.148 4.928 4.680 128 HD2 PFF 20 HD2 PFF 20 2.569 7.593 1.398 129 HE1 PFF 20 HE1 PFF 20 4.930 6.431 5.607 130 HE2 PFF 20 HE2 PFF 20 4.225 9.169 2.360 131 H CYS 21 H CYS 21 2.680 2.211 3.175 132 HA CYS 21 HA CYS 21 0.677 0.532 1.709 133 1HB CYS 21 HB2 CYS 21 2.203 -1.183 1.684 134 2HB CYS 21 HB1 CYS 21 3.098 0.118 1.267 135 H GLY 22 H GLY 22 -0.176 -1.305 2.779 136 1HA GLY 22 HA3 GLY 22 0.240 -1.984 5.488 137 2HA GLY 22 HA2 GLY 22 -1.039 -0.764 5.477 138 H LYS 23 H LYS 23 -1.718 -3.101 6.485 139 HA LYS 23 HA LYS 23 -2.695 -4.989 4.453 140 1HB LYS 23 HB2 LYS 23 -3.170 -6.361 6.377 141 2HB LYS 23 HB1 LYS 23 -1.600 -5.922 6.273 142 1HG LYS 23 HG2 LYS 23 -1.735 -4.553 8.062 143 2HG LYS 23 HG1 LYS 23 -3.351 -4.373 7.913 144 1HD LYS 23 HD2 LYS 23 -2.470 -6.977 8.583 145 2HD LYS 23 HD1 LYS 23 -2.302 -5.853 9.756 146 1HE LYS 23 HE2 LYS 23 -4.359 -6.978 10.027 147 2HE LYS 23 HE1 LYS 23 -4.636 -5.410 9.664 148 1HZ LYS 23 HZ1 LYS 23 -5.136 -5.973 7.450 149 2HZ LYS 23 HZ2 LYS 23 -4.789 -7.551 7.756 150 3HZ LYS 23 HZ3 LYS 23 -6.093 -6.834 8.460 151 H GLY 24 H GLY 24 -4.180 -2.932 3.828 152 1HA GLY 24 HA3 GLY 24 -6.672 -4.177 3.922 153 2HA GLY 24 HA2 GLY 24 -6.755 -2.958 5.199 154 HA PRO 25 HA PRO 25 -8.269 -1.563 0.912 155 1HB PRO 25 HB2 PRO 25 -10.438 -0.668 2.696 156 2HB PRO 25 HB1 PRO 25 -10.535 -1.203 1.156 157 1HG PRO 25 HG2 PRO 25 -11.096 -2.867 3.044 158 2HG PRO 25 HG1 PRO 25 -10.207 -3.412 1.787 159 1HD PRO 25 HD2 PRO 25 -9.264 -2.634 4.395 160 2HD PRO 25 HD1 PRO 25 -8.732 -3.876 3.478 161 H LYS 26 H LYS 26 -7.968 0.172 4.027 162 HA LYS 26 HA LYS 26 -8.055 2.822 3.159 163 1HB LYS 26 HB2 LYS 26 -6.380 1.437 5.175 164 2HB LYS 26 HB1 LYS 26 -6.145 3.029 4.892 165 1HG LYS 26 HG2 LYS 26 -8.636 1.885 5.785 166 2HG LYS 26 HG1 LYS 26 -7.599 2.701 6.748 167 1HD LYS 26 HD2 LYS 26 -9.190 3.805 4.616 168 2HD LYS 26 HD1 LYS 26 -9.280 4.196 6.199 169 1HE LYS 26 HE2 LYS 26 -8.068 5.935 5.639 170 2HE LYS 26 HE1 LYS 26 -6.815 4.887 5.661 171 1HZ LYS 26 HZ1 LYS 26 -6.761 6.165 3.725 172 2HZ LYS 26 HZ2 LYS 26 -7.024 4.623 3.259 173 3HZ LYS 26 HZ3 LYS 26 -8.267 5.770 3.351 174 H TYR 27 H TYR 27 -5.558 0.460 2.734 175 HA TYR 27 HA TYR 27 -3.812 2.368 1.265 176 1HB TYR 27 HB2 TYR 27 -3.390 -0.358 2.362 177 2HB TYR 27 HB1 TYR 27 -2.276 0.441 1.474 178 HD1 TYR 27 HD1 TYR 27 -1.176 2.456 2.272 179 HD2 TYR 27 HD2 TYR 27 -3.825 0.191 4.755 180 HE1 TYR 27 HE1 TYR 27 -0.175 3.528 4.299 181 HE2 TYR 27 HE2 TYR 27 -2.999 1.472 6.759 182 HH TYR 27 HH TYR 27 -0.439 3.960 6.453 183 H CYS 28 H CYS 28 -5.315 -0.881 1.067 184 HA CYS 28 HA CYS 28 -4.297 -1.410 -1.509 185 1HB CYS 28 HB2 CYS 28 -5.161 -2.852 0.431 186 2HB CYS 28 HB1 CYS 28 -6.612 -2.761 -0.313 187 H GLY 29 H GLY 29 -7.211 0.293 -0.585 188 1HA GLY 29 HA3 GLY 29 -7.738 0.742 -3.495 189 2HA GLY 29 HA2 GLY 29 -9.069 0.524 -2.346 190 H ARG 30 H ARG 30 -6.080 2.136 -1.439 191 HA ARG 30 HA ARG 30 -5.851 3.962 -0.136 192 1HB ARG 30 HB2 ARG 30 -5.832 5.938 -1.332 193 2HB ARG 30 HB1 ARG 30 -5.396 4.744 -2.358 194 1HG ARG 30 HG2 ARG 30 -6.972 5.270 -3.775 195 2HG ARG 30 HG1 ARG 30 -8.101 5.355 -2.599 196 1HD ARG 30 HD2 ARG 30 -6.214 7.489 -3.065 197 2HD ARG 30 HD1 ARG 30 -7.698 7.479 -3.748 198 HE ARG 30 HE ARG 30 -8.109 7.107 -1.063 199 1HH1 ARG 30 2HH2 ARG 30 -6.435 9.724 -2.737 200 2HH1 ARG 30 1HH2 ARG 30 -7.061 10.906 -1.637 201 1HH2 ARG 30 2HH1 ARG 30 -9.022 8.723 0.130 202 2HH2 ARG 30 1HH1 ARG 30 -8.480 10.357 -0.064 203 1HN NH2 31 1HN NH2 31 -9.458 4.006 1.057 204 2HN NH2 31 2HN NH2 31 -8.435 2.696 0.473 205 H1 NAG 32 H1 NAG 32 -10.763 11.500 2.558 206 H2 NAG 32 H2 NAG 32 -8.809 9.181 2.321 207 H3 NAG 32 H3 NAG 32 -8.686 11.570 4.198 208 H4 NAG 32 H4 NAG 32 -7.013 10.564 1.842 209 H5 NAG 32 H5 NAG 32 -8.717 13.046 2.319 210 1H6 NAG 32 1H6 NAG 32 -6.882 13.761 0.937 211 2H6 NAG 32 2H6 NAG 32 -8.255 13.462 -0.131 212 1H8 NAG 32 1H8 NAG 32 -11.054 6.338 5.207 213 2H8 NAG 32 2H8 NAG 32 -10.845 7.843 6.140 214 3H8 NAG 32 3H8 NAG 32 -12.129 7.719 4.898 215 HN2 NAG 32 HN2 NAG 32 -10.824 9.751 4.487 216 HO1 NAG 32 HO1 NAG 32 -11.313 10.585 0.547 217 HO3 NAG 32 HO3 NAG 32 -6.695 10.401 4.622 218 HO6 NAG 32 HO6 NAG 32 -5.817 12.331 -0.050 219 H1 NAG 33 H1 NAG 33 -4.803 10.991 1.892 220 H2 NAG 33 H2 NAG 33 -3.893 12.350 4.459 221 H3 NAG 33 H3 NAG 33 -2.285 10.814 2.391 222 H4 NAG 33 H4 NAG 33 -2.996 10.006 5.221 223 H5 NAG 33 H5 NAG 33 -4.120 8.900 2.615 224 1H6 NAG 33 1H6 NAG 33 -4.866 8.492 5.575 225 2H6 NAG 33 2H6 NAG 33 -4.059 7.291 4.569 226 1H8 NAG 33 1H8 NAG 33 -3.390 15.089 -0.072 227 2H8 NAG 33 2H8 NAG 33 -3.329 15.747 1.582 228 3H8 NAG 33 3H8 NAG 33 -1.948 14.804 0.934 229 HN2 NAG 33 HN2 NAG 33 -2.639 13.909 3.104 230 HO3 NAG 33 HO3 NAG 33 -0.831 10.820 4.277 231 HO6 NAG 33 HO6 NAG 33 -6.632 8.433 4.179 232 H1 NAG 34 H1 NAG 34 -1.769 8.335 5.901 233 H2 NAG 34 H2 NAG 34 0.046 6.903 3.906 234 H3 NAG 34 H3 NAG 34 -0.484 6.703 6.916 235 H4 NAG 34 H4 NAG 34 1.904 7.583 5.227 236 H5 NAG 34 H5 NAG 34 0.185 9.112 7.191 237 1H6 NAG 34 1H6 NAG 34 1.535 11.029 6.500 238 2H6 NAG 34 2H6 NAG 34 2.419 10.038 5.325 239 1H8 NAG 34 1H8 NAG 34 -4.313 5.419 3.359 240 2H8 NAG 34 2H8 NAG 34 -3.469 4.029 2.682 241 3H8 NAG 34 3H8 NAG 34 -3.576 4.193 4.446 242 HN2 NAG 34 HN2 NAG 34 -2.288 5.692 5.415 243 HO4 NAG 34 HO4 NAG 34 2.675 7.952 7.483 244 HO3 NAG 34 HO3 NAG 34 1.517 5.501 6.592 245 HO6 NAG 34 HO6 NAG 34 3.539 10.401 7.322 Start of MODEL 16 1 1H VAL 1 H1 VAL 1 6.211 7.679 6.415 2 2H VAL 1 H2 VAL 1 7.366 7.388 5.237 3 3H VAL 1 H3 VAL 1 7.753 8.266 6.554 4 HA VAL 1 HA VAL 1 8.581 5.946 6.449 5 HB VAL 1 HB VAL 1 8.072 5.405 8.814 6 1HG1 VAL 1 1HG1 VAL 1 8.908 8.301 8.331 7 2HG1 VAL 1 2HG1 VAL 1 9.327 7.268 9.705 8 3HG1 VAL 1 3HG1 VAL 1 9.942 6.872 8.094 9 1HG2 VAL 1 1HG2 VAL 1 6.899 7.009 10.218 10 2HG2 VAL 1 2HG2 VAL 1 6.475 8.014 8.830 11 3HG2 VAL 1 3HG2 VAL 1 5.776 6.384 9.010 12 H GLY 2 H GLY 2 8.114 3.940 5.987 13 1HA GLY 2 HA3 GLY 2 6.803 1.853 6.166 14 2HA GLY 2 HA2 GLY 2 5.337 2.820 6.372 15 H GLU 3 H GLU 3 7.814 3.705 4.050 16 HA GLU 3 HA GLU 3 5.803 3.738 1.923 17 1HB GLU 3 HB2 GLU 3 7.733 4.792 0.730 18 2HB GLU 3 HB1 GLU 3 6.989 5.630 1.919 19 1HG GLU 3 HG2 GLU 3 9.511 4.326 2.336 20 2HG GLU 3 HG1 GLU 3 9.406 5.878 1.836 21 H CYS 4 H CYS 4 5.940 2.721 -0.085 22 HA CYS 4 HA CYS 4 6.691 -0.003 0.427 23 1HB CYS 4 HB2 CYS 4 5.685 1.061 -2.123 24 2HB CYS 4 HB1 CYS 4 5.548 -0.465 -1.559 25 H VAL 5 H VAL 5 7.844 -1.416 -0.776 26 HA VAL 5 HA VAL 5 10.352 -0.559 -2.044 27 HB VAL 5 HB VAL 5 9.122 -3.342 -1.765 28 1HG1 VAL 5 1HG1 VAL 5 10.808 -3.196 -3.585 29 2HG1 VAL 5 2HG1 VAL 5 11.947 -2.408 -2.469 30 3HG1 VAL 5 3HG1 VAL 5 11.447 -4.090 -2.203 31 1HG2 VAL 5 1HG2 VAL 5 10.792 -3.622 0.050 32 2HG2 VAL 5 2HG2 VAL 5 11.214 -1.902 -0.082 33 3HG2 VAL 5 3HG2 VAL 5 9.592 -2.390 0.450 34 H ARG 6 H ARG 6 9.199 0.765 -3.534 35 HA ARG 6 HA ARG 6 8.487 1.309 -5.616 36 1HB ARG 6 HB2 ARG 6 10.492 -0.520 -5.930 37 2HB ARG 6 HB1 ARG 6 9.354 -1.079 -6.960 38 1HG ARG 6 HG2 ARG 6 10.445 1.586 -7.020 39 2HG ARG 6 HG1 ARG 6 10.847 0.399 -8.067 40 1HD ARG 6 HD2 ARG 6 8.300 1.734 -7.919 41 2HD ARG 6 HD1 ARG 6 9.363 1.821 -9.157 42 HE ARG 6 HE ARG 6 7.597 -0.355 -8.534 43 1HH1 ARG 6 2HH2 ARG 6 10.138 0.731 -10.719 44 2HH1 ARG 6 1HH2 ARG 6 9.821 -0.537 -11.855 45 1HH2 ARG 6 2HH1 ARG 6 7.223 -1.928 -10.054 46 2HH2 ARG 6 1HH1 ARG 6 8.196 -2.019 -11.484 47 H GLY 7 H GLY 7 6.712 0.189 -4.015 48 1HA GLY 7 HA3 GLY 7 4.304 0.121 -4.585 49 2HA GLY 7 HA2 GLY 7 4.679 -0.944 -5.930 50 H ARG 8 H ARG 8 6.520 -2.304 -3.415 51 HA ARG 8 HA ARG 8 4.120 -3.711 -2.293 52 1HB ARG 8 HB2 ARG 8 6.492 -4.780 -3.618 53 2HB ARG 8 HB1 ARG 8 5.982 -5.590 -2.294 54 1HG ARG 8 HG2 ARG 8 4.505 -5.187 -4.720 55 2HG ARG 8 HG1 ARG 8 5.044 -6.615 -4.140 56 1HD ARG 8 HD2 ARG 8 2.807 -5.094 -3.191 57 2HD ARG 8 HD1 ARG 8 2.791 -6.625 -3.759 58 HE ARG 8 HE ARG 8 4.287 -6.794 -1.450 59 1HH1 ARG 8 2HH2 ARG 8 0.939 -5.997 -2.266 60 2HH1 ARG 8 1HH2 ARG 8 0.409 -6.363 -0.659 61 1HH2 ARG 8 2HH1 ARG 8 3.477 -7.105 0.592 62 2HH2 ARG 8 1HH1 ARG 8 1.775 -6.959 0.877 63 H CYS 9 H CYS 9 4.554 -4.959 -0.404 64 HA CYS 9 HA CYS 9 7.045 -4.484 1.044 65 1HB CYS 9 HB2 CYS 9 4.333 -4.023 2.041 66 2HB CYS 9 HB1 CYS 9 5.352 -4.817 3.040 67 HA PRO 10 HA PRO 10 6.675 -9.033 1.609 68 1HB PRO 10 HB2 PRO 10 6.383 -8.483 4.489 69 2HB PRO 10 HB1 PRO 10 7.306 -9.610 3.750 70 1HG PRO 10 HG2 PRO 10 8.471 -7.462 4.571 71 2HG PRO 10 HG1 PRO 10 8.894 -8.038 3.102 72 1HD PRO 10 HD2 PRO 10 7.062 -5.881 3.677 73 2HD PRO 10 HD1 PRO 10 8.192 -5.930 2.498 74 H SER 11 H SER 11 5.169 -10.644 2.900 75 HA SER 11 HA SER 11 2.635 -10.221 1.726 76 1HB SER 11 HB2 SER 11 3.592 -12.407 2.263 77 2HB SER 11 HB1 SER 11 3.189 -12.206 3.833 78 HG SER 11 HG SER 11 1.610 -13.353 2.612 79 H GLY 12 H GLY 12 0.607 -10.837 3.057 80 1HA GLY 12 HA3 GLY 12 -1.150 -10.011 4.334 81 2HA GLY 12 HA2 GLY 12 0.065 -9.690 5.567 82 H MET 13 H MET 13 1.330 -7.579 3.601 83 HA MET 13 HA MET 13 -0.618 -5.391 4.182 84 1HB MET 13 HB2 MET 13 2.176 -5.232 3.231 85 2HB MET 13 HB1 MET 13 1.271 -4.004 3.814 86 1HG MET 13 HG2 MET 13 1.288 -5.021 5.960 87 2HG MET 13 HG1 MET 13 2.213 -6.232 5.373 88 1HE MET 13 HE1 MET 13 4.746 -4.470 7.718 89 2HE MET 13 HE2 MET 13 3.010 -4.738 7.994 90 3HE MET 13 HE3 MET 13 4.008 -6.026 7.274 91 H CYS 14 H CYS 14 -0.882 -3.647 2.600 92 HA CYS 14 HA CYS 14 -0.299 -4.367 -0.249 93 1HB CYS 14 HB2 CYS 14 -2.763 -3.008 0.594 94 2HB CYS 14 HB1 CYS 14 -2.412 -3.641 -0.871 95 H CYS 15 H CYS 15 -0.114 -2.432 -1.668 96 HA CYS 15 HA CYS 15 1.093 -0.204 -0.137 97 1HB CYS 15 HB2 CYS 15 2.351 -1.362 -1.878 98 2HB CYS 15 HB1 CYS 15 1.304 -0.818 -3.007 99 H SER 16 H SER 16 0.308 1.892 -0.231 100 HA SER 16 HA SER 16 -2.452 2.160 -1.143 101 1HB SER 16 HB2 SER 16 -2.406 4.088 0.206 102 2HB SER 16 HB1 SER 16 -1.529 2.987 1.034 103 HG SER 16 HG SER 16 -0.525 4.959 1.110 104 H GLN 17 H GLN 17 -3.234 4.161 -2.168 105 HA GLN 17 HA GLN 17 -1.698 5.057 -4.394 106 1HB GLN 17 HB2 GLN 17 -3.468 6.380 -4.870 107 2HB GLN 17 HB1 GLN 17 -4.135 5.054 -4.189 108 1HG GLN 17 HG2 GLN 17 -3.744 7.525 -2.778 109 2HG GLN 17 HG1 GLN 17 -5.159 7.106 -3.476 110 1HE2 GLN 17 1HE2 GLN 17 -5.651 4.561 -2.769 111 2HE2 GLN 17 2HE2 GLN 17 -5.569 4.373 -0.997 112 1HN PFF 18 H PFF 18 -1.038 5.717 -1.195 113 HA PFF 18 HA PFF 18 0.318 8.251 -2.000 114 1HBC PFF 18 HB2 PFF 18 -0.802 7.287 0.641 115 2HBC PFF 18 HB3 PFF 18 0.541 8.451 0.590 116 HD1 PFF 18 HD1 PFF 18 0.333 10.588 -0.773 117 HD2 PFF 18 HD2 PFF 18 -2.998 8.070 0.198 118 HE1 PFF 18 HE1 PFF 18 -1.220 12.302 -1.689 119 HE2 PFF 18 HE2 PFF 18 -4.563 9.742 -0.828 120 H GLY 19 H GLY 19 0.901 5.018 -2.013 121 1HA GLY 19 HA3 GLY 19 2.967 4.081 -2.464 122 2HA GLY 19 HA2 GLY 19 3.768 5.572 -1.962 123 1HN PFF 20 H PFF 20 1.506 4.170 0.358 124 HA PFF 20 HA PFF 20 3.856 3.195 1.929 125 1HBC PFF 20 HB2 PFF 20 1.204 4.364 2.859 126 2HBC PFF 20 HB3 PFF 20 2.505 3.772 3.864 127 HD1 PFF 20 HD1 PFF 20 1.450 6.566 1.729 128 HD2 PFF 20 HD2 PFF 20 4.722 4.889 3.952 129 HE1 PFF 20 HE1 PFF 20 2.551 8.798 1.804 130 HE2 PFF 20 HE2 PFF 20 5.905 7.065 3.842 131 H CYS 21 H CYS 21 3.534 1.432 3.374 132 HA CYS 21 HA CYS 21 1.786 -0.637 2.188 133 1HB CYS 21 HB2 CYS 21 3.916 -0.777 4.220 134 2HB CYS 21 HB1 CYS 21 3.137 -2.067 3.589 135 H GLY 22 H GLY 22 -0.192 -1.218 3.110 136 1HA GLY 22 HA3 GLY 22 -0.435 -1.426 5.998 137 2HA GLY 22 HA2 GLY 22 -1.295 -0.034 5.342 138 H LYS 23 H LYS 23 -3.292 -0.773 5.818 139 HA LYS 23 HA LYS 23 -4.238 -3.404 4.748 140 1HB LYS 23 HB2 LYS 23 -4.818 -2.071 7.345 141 2HB LYS 23 HB1 LYS 23 -5.517 -3.458 6.843 142 1HG LYS 23 HG2 LYS 23 -2.686 -3.251 7.307 143 2HG LYS 23 HG1 LYS 23 -3.725 -3.762 8.458 144 1HD LYS 23 HD2 LYS 23 -4.383 -5.554 6.923 145 2HD LYS 23 HD1 LYS 23 -3.123 -5.112 5.982 146 1HE LYS 23 HE2 LYS 23 -1.598 -5.607 7.697 147 2HE LYS 23 HE1 LYS 23 -2.816 -5.879 8.751 148 1HZ LYS 23 HZ1 LYS 23 -1.884 -7.918 7.959 149 2HZ LYS 23 HZ2 LYS 23 -3.468 -7.781 7.525 150 3HZ LYS 23 HZ3 LYS 23 -2.287 -7.473 6.428 151 H GLY 24 H GLY 24 -6.666 -3.529 4.964 152 1HA GLY 24 HA3 GLY 24 -8.802 -2.870 4.507 153 2HA GLY 24 HA2 GLY 24 -8.347 -1.277 5.132 154 HA PRO 25 HA PRO 25 -9.651 -1.113 0.599 155 1HB PRO 25 HB2 PRO 25 -11.105 1.157 1.791 156 2HB PRO 25 HB1 PRO 25 -11.575 0.161 0.585 157 1HG PRO 25 HG2 PRO 25 -12.527 -0.261 2.952 158 2HG PRO 25 HG1 PRO 25 -12.093 -1.556 2.057 159 1HD PRO 25 HD2 PRO 25 -10.594 -0.314 4.186 160 2HD PRO 25 HD1 PRO 25 -10.737 -1.912 3.876 161 H LYS 26 H LYS 26 -8.851 1.551 2.865 162 HA LYS 26 HA LYS 26 -8.065 3.386 0.909 163 1HB LYS 26 HB2 LYS 26 -8.349 3.458 3.573 164 2HB LYS 26 HB1 LYS 26 -6.732 3.657 3.456 165 1HG LYS 26 HG2 LYS 26 -8.564 5.324 1.995 166 2HG LYS 26 HG1 LYS 26 -8.049 5.727 3.492 167 1HD LYS 26 HD2 LYS 26 -5.801 5.796 2.667 168 2HD LYS 26 HD1 LYS 26 -6.364 5.478 1.167 169 1HE LYS 26 HE2 LYS 26 -7.500 7.524 1.095 170 2HE LYS 26 HE1 LYS 26 -7.154 7.817 2.665 171 1HZ LYS 26 HZ1 LYS 26 -5.153 7.629 0.601 172 2HZ LYS 26 HZ2 LYS 26 -5.704 9.077 1.240 173 3HZ LYS 26 HZ3 LYS 26 -4.910 8.050 2.193 174 H TYR 27 H TYR 27 -5.945 0.953 2.489 175 HA TYR 27 HA TYR 27 -3.743 1.894 0.692 176 1HB TYR 27 HB2 TYR 27 -3.757 -0.222 2.734 177 2HB TYR 27 HB1 TYR 27 -2.500 0.084 1.738 178 HD1 TYR 27 HD1 TYR 27 -4.602 2.191 3.995 179 HD2 TYR 27 HD2 TYR 27 -0.682 1.199 2.594 180 HE1 TYR 27 HE1 TYR 27 -3.595 3.334 5.968 181 HE2 TYR 27 HE2 TYR 27 0.310 2.541 4.458 182 HH TYR 27 HH TYR 27 -0.168 3.924 6.240 183 H CYS 28 H CYS 28 -5.721 -1.054 1.343 184 HA CYS 28 HA CYS 28 -4.316 -2.391 -0.823 185 1HB CYS 28 HB2 CYS 28 -5.054 -3.304 1.411 186 2HB CYS 28 HB1 CYS 28 -6.548 -3.460 0.770 187 H GLY 29 H GLY 29 -7.605 -1.103 -0.425 188 1HA GLY 29 HA3 GLY 29 -8.560 -2.226 -2.993 189 2HA GLY 29 HA2 GLY 29 -9.382 -1.036 -1.970 190 H ARG 30 H ARG 30 -7.258 0.715 -1.661 191 HA ARG 30 HA ARG 30 -5.956 2.337 -2.370 192 1HB ARG 30 HB2 ARG 30 -4.306 1.762 -3.741 193 2HB ARG 30 HB1 ARG 30 -4.881 0.287 -3.342 194 1HG ARG 30 HG2 ARG 30 -6.119 0.701 -5.611 195 2HG ARG 30 HG1 ARG 30 -4.701 1.463 -5.884 196 1HD ARG 30 HD2 ARG 30 -4.356 -0.716 -6.578 197 2HD ARG 30 HD1 ARG 30 -3.590 -0.600 -5.140 198 HE ARG 30 HE ARG 30 -5.209 -1.941 -4.086 199 1HH1 ARG 30 2HH2 ARG 30 -6.077 -1.398 -7.459 200 2HH1 ARG 30 1HH2 ARG 30 -7.291 -2.632 -7.405 201 1HH2 ARG 30 2HH1 ARG 30 -6.685 -3.516 -4.121 202 2HH2 ARG 30 1HH1 ARG 30 -7.630 -3.813 -5.542 203 1HN NH2 31 1HN NH2 31 -8.478 3.230 -5.409 204 2HN NH2 31 2HN NH2 31 -8.395 1.566 -4.829 205 H1 NAG 32 H1 NAG 32 -7.018 14.217 3.126 206 H2 NAG 32 H2 NAG 32 -7.239 11.974 1.085 207 H3 NAG 32 H3 NAG 32 -5.366 12.201 3.434 208 H4 NAG 32 H4 NAG 32 -4.399 12.466 0.603 209 H5 NAG 32 H5 NAG 32 -4.874 14.909 2.313 210 1H6 NAG 32 1H6 NAG 32 -4.554 16.124 0.285 211 2H6 NAG 32 2H6 NAG 32 -4.741 14.677 -0.713 212 1H8 NAG 32 1H8 NAG 32 -9.240 11.222 5.372 213 2H8 NAG 32 2H8 NAG 32 -9.791 10.042 4.144 214 3H8 NAG 32 3H8 NAG 32 -8.696 9.532 5.453 215 HN2 NAG 32 HN2 NAG 32 -8.893 12.048 3.071 216 HO1 NAG 32 HO1 NAG 32 -8.456 14.782 1.144 217 HO3 NAG 32 HO3 NAG 32 -5.379 10.241 2.918 218 HO6 NAG 32 HO6 NAG 32 -2.574 14.976 1.099 219 H1 NAG 33 H1 NAG 33 -2.492 11.334 1.455 220 H2 NAG 33 H2 NAG 33 -1.114 12.796 3.749 221 H3 NAG 33 H3 NAG 33 -0.179 10.331 2.242 222 H4 NAG 33 H4 NAG 33 -1.156 10.422 5.127 223 H5 NAG 33 H5 NAG 33 -2.498 9.322 2.614 224 1H6 NAG 33 1H6 NAG 33 -3.684 9.591 5.403 225 2H6 NAG 33 2H6 NAG 33 -2.917 8.104 4.837 226 1H8 NAG 33 1H8 NAG 33 0.476 15.847 0.545 227 2H8 NAG 33 2H8 NAG 33 1.642 14.547 0.909 228 3H8 NAG 33 3H8 NAG 33 0.411 14.330 -0.382 229 HN2 NAG 33 HN2 NAG 33 0.444 12.441 1.303 230 HO3 NAG 33 HO3 NAG 33 1.206 10.291 4.158 231 HO6 NAG 33 HO6 NAG 33 -5.380 8.959 4.385 232 H1 NAG 34 H1 NAG 34 -0.453 8.461 6.144 233 H2 NAG 34 H2 NAG 34 0.913 6.584 4.198 234 H3 NAG 34 H3 NAG 34 0.515 6.440 7.196 235 H4 NAG 34 H4 NAG 34 2.997 6.734 5.417 236 H5 NAG 34 H5 NAG 34 1.750 8.711 7.327 237 1H6 NAG 34 1H6 NAG 34 3.512 10.157 6.792 238 2H6 NAG 34 2H6 NAG 34 3.897 9.324 5.288 239 1H8 NAG 34 1H8 NAG 34 -3.082 4.555 3.046 240 2H8 NAG 34 2H8 NAG 34 -3.424 5.434 4.573 241 3H8 NAG 34 3H8 NAG 34 -3.416 6.297 3.016 242 HN2 NAG 34 HN2 NAG 34 -1.591 5.850 5.669 243 HO4 NAG 34 HO4 NAG 34 3.868 5.856 7.153 244 HO3 NAG 34 HO3 NAG 34 2.018 4.713 6.856 245 HO6 NAG 34 HO6 NAG 34 4.234 7.836 7.577 Start of MODEL 17 1 1H VAL 1 H1 VAL 1 6.548 8.419 5.620 2 2H VAL 1 H2 VAL 1 7.093 9.094 7.006 3 3H VAL 1 H3 VAL 1 5.546 8.481 6.942 4 HA VAL 1 HA VAL 1 7.911 6.835 6.464 5 HB VAL 1 HB VAL 1 7.629 5.928 8.761 6 1HG1 VAL 1 1HG1 VAL 1 8.923 7.665 9.828 7 2HG1 VAL 1 2HG1 VAL 1 9.405 7.552 8.129 8 3HG1 VAL 1 3HG1 VAL 1 8.368 8.889 8.681 9 1HG2 VAL 1 1HG2 VAL 1 5.965 8.447 9.291 10 2HG2 VAL 1 2HG2 VAL 1 5.345 6.778 9.302 11 3HG2 VAL 1 3HG2 VAL 1 6.550 7.285 10.486 12 H GLY 2 H GLY 2 7.457 4.887 5.893 13 1HA GLY 2 HA3 GLY 2 6.086 2.764 6.313 14 2HA GLY 2 HA2 GLY 2 4.656 3.767 6.085 15 H GLU 3 H GLU 3 7.343 4.530 4.038 16 HA GLU 3 HA GLU 3 5.760 4.441 1.719 17 1HB GLU 3 HB2 GLU 3 8.654 4.847 2.137 18 2HB GLU 3 HB1 GLU 3 7.859 5.188 0.752 19 1HG GLU 3 HG2 GLU 3 8.096 7.200 1.771 20 2HG GLU 3 HG1 GLU 3 6.541 6.784 2.052 21 H CYS 4 H CYS 4 5.273 2.676 0.505 22 HA CYS 4 HA CYS 4 6.217 0.149 1.231 23 1HB CYS 4 HB2 CYS 4 4.885 -0.602 -0.564 24 2HB CYS 4 HB1 CYS 4 4.108 0.637 0.161 25 H VAL 5 H VAL 5 6.821 -1.540 -0.546 26 HA VAL 5 HA VAL 5 9.620 -0.853 -1.084 27 HB VAL 5 HB VAL 5 8.216 -3.516 -1.473 28 1HG1 VAL 5 1HG1 VAL 5 10.496 -4.427 -1.029 29 2HG1 VAL 5 2HG1 VAL 5 10.555 -3.365 -2.430 30 3HG1 VAL 5 3HG1 VAL 5 11.130 -2.781 -0.858 31 1HG2 VAL 5 1HG2 VAL 5 9.517 -2.382 1.033 32 2HG2 VAL 5 2HG2 VAL 5 7.815 -2.853 0.843 33 3HG2 VAL 5 3HG2 VAL 5 9.072 -4.085 0.804 34 H ARG 6 H ARG 6 8.126 0.624 -2.596 35 HA ARG 6 HA ARG 6 7.863 1.513 -4.660 36 1HB ARG 6 HB2 ARG 6 10.066 -0.341 -5.274 37 2HB ARG 6 HB1 ARG 6 9.542 0.817 -6.300 38 1HG ARG 6 HG2 ARG 6 11.264 1.853 -5.276 39 2HG ARG 6 HG1 ARG 6 9.982 2.393 -4.420 40 1HD ARG 6 HD2 ARG 6 11.205 0.138 -3.294 41 2HD ARG 6 HD1 ARG 6 12.173 1.453 -3.339 42 HE ARG 6 HE ARG 6 9.573 1.663 -2.018 43 1HH1 ARG 6 2HH2 ARG 6 13.051 1.946 -1.623 44 2HH1 ARG 6 1HH2 ARG 6 12.864 2.419 0.032 45 1HH2 ARG 6 2HH1 ARG 6 9.433 2.188 0.064 46 2HH2 ARG 6 1HH1 ARG 6 10.867 2.552 0.963 47 H GLY 7 H GLY 7 6.002 0.001 -3.902 48 1HA GLY 7 HA3 GLY 7 3.975 -0.334 -5.199 49 2HA GLY 7 HA2 GLY 7 4.900 -1.214 -6.410 50 H ARG 8 H ARG 8 6.006 -2.293 -3.374 51 HA ARG 8 HA ARG 8 4.024 -4.495 -3.179 52 1HB ARG 8 HB2 ARG 8 6.963 -4.592 -3.600 53 2HB ARG 8 HB1 ARG 8 6.151 -5.855 -2.955 54 1HG ARG 8 HG2 ARG 8 5.059 -6.300 -4.894 55 2HG ARG 8 HG1 ARG 8 5.291 -4.790 -5.472 56 1HD ARG 8 HD2 ARG 8 7.301 -6.852 -5.323 57 2HD ARG 8 HD1 ARG 8 6.628 -6.281 -6.697 58 HE ARG 8 HE ARG 8 8.877 -5.243 -5.446 59 1HH1 ARG 8 2HH2 ARG 8 6.108 -4.006 -7.270 60 2HH1 ARG 8 1HH2 ARG 8 6.890 -2.478 -7.505 61 1HH2 ARG 8 2HH1 ARG 8 9.661 -3.198 -5.661 62 2HH2 ARG 8 1HH1 ARG 8 8.811 -2.042 -6.632 63 H CYS 9 H CYS 9 4.434 -5.727 -1.036 64 HA CYS 9 HA CYS 9 5.664 -4.060 1.067 65 1HB CYS 9 HB2 CYS 9 2.863 -4.990 0.813 66 2HB CYS 9 HB1 CYS 9 3.502 -4.523 2.241 67 HA PRO 10 HA PRO 10 6.334 -8.236 2.698 68 1HB PRO 10 HB2 PRO 10 6.656 -7.699 5.283 69 2HB PRO 10 HB1 PRO 10 7.816 -7.281 4.212 70 1HG PRO 10 HG2 PRO 10 5.821 -5.552 5.394 71 2HG PRO 10 HG1 PRO 10 7.397 -5.209 5.138 72 1HD PRO 10 HD2 PRO 10 5.511 -4.400 3.466 73 2HD PRO 10 HD1 PRO 10 7.045 -4.660 2.969 74 H SER 11 H SER 11 5.290 -9.734 4.200 75 HA SER 11 HA SER 11 3.347 -10.897 4.688 76 1HB SER 11 HB2 SER 11 3.607 -9.406 6.613 77 2HB SER 11 HB1 SER 11 2.535 -8.367 5.950 78 HG SER 11 HG SER 11 1.643 -9.897 7.453 79 H GLY 12 H GLY 12 0.812 -10.364 4.928 80 1HA GLY 12 HA3 GLY 12 -0.169 -10.320 2.184 81 2HA GLY 12 HA2 GLY 12 -1.169 -10.399 3.634 82 H MET 13 H MET 13 1.072 -7.679 2.967 83 HA MET 13 HA MET 13 -1.281 -5.864 3.271 84 1HB MET 13 HB2 MET 13 1.625 -5.352 3.471 85 2HB MET 13 HB1 MET 13 0.477 -4.199 3.615 86 1HG MET 13 HG2 MET 13 -0.450 -5.538 5.446 87 2HG MET 13 HG1 MET 13 0.929 -6.411 5.391 88 1HE MET 13 HE1 MET 13 3.693 -4.008 6.573 89 2HE MET 13 HE2 MET 13 3.294 -5.687 6.142 90 3HE MET 13 HE3 MET 13 3.245 -4.415 4.901 91 H CYS 14 H CYS 14 -1.086 -3.757 2.015 92 HA CYS 14 HA CYS 14 -0.307 -4.284 -0.821 93 1HB CYS 14 HB2 CYS 14 -2.744 -2.844 -0.024 94 2HB CYS 14 HB1 CYS 14 -2.391 -3.525 -1.466 95 H CYS 15 H CYS 15 -0.047 -2.185 -2.050 96 HA CYS 15 HA CYS 15 0.970 -0.072 -0.226 97 1HB CYS 15 HB2 CYS 15 2.546 -0.912 -1.822 98 2HB CYS 15 HB1 CYS 15 1.596 -0.453 -3.069 99 H SER 16 H SER 16 -0.055 1.788 -0.020 100 HA SER 16 HA SER 16 -2.522 2.411 -1.398 101 1HB SER 16 HB2 SER 16 -2.479 4.334 -0.076 102 2HB SER 16 HB1 SER 16 -1.798 3.204 0.886 103 HG SER 16 HG SER 16 -0.716 5.109 1.017 104 H GLN 17 H GLN 17 -2.896 4.298 -2.712 105 HA GLN 17 HA GLN 17 -0.681 4.802 -4.570 106 1HB GLN 17 HB2 GLN 17 -3.557 5.360 -4.577 107 2HB GLN 17 HB1 GLN 17 -2.568 6.051 -5.678 108 1HG GLN 17 HG2 GLN 17 -3.536 3.986 -6.485 109 2HG GLN 17 HG1 GLN 17 -1.903 3.949 -6.485 110 1HE2 GLN 17 1HE2 GLN 17 -0.797 2.247 -5.417 111 2HE2 GLN 17 2HE2 GLN 17 -1.634 1.246 -4.242 112 1HN PFF 18 H PFF 18 -1.275 6.019 -1.607 113 HA PFF 18 HA PFF 18 0.046 8.598 -2.260 114 1HBC PFF 18 HB2 PFF 18 -0.644 7.385 0.437 115 2HBC PFF 18 HB3 PFF 18 -0.007 9.001 0.133 116 HD1 PFF 18 HD1 PFF 18 -2.971 7.044 0.575 117 HD2 PFF 18 HD2 PFF 18 -1.450 10.564 -1.390 118 HE1 PFF 18 HE1 PFF 18 -5.292 7.879 0.269 119 HE2 PFF 18 HE2 PFF 18 -3.774 11.387 -1.709 120 H GLY 19 H GLY 19 0.826 5.269 -1.922 121 1HA GLY 19 HA3 GLY 19 2.997 4.610 -2.512 122 2HA GLY 19 HA2 GLY 19 3.679 6.031 -1.729 123 1HN PFF 20 H PFF 20 1.347 4.330 0.297 124 HA PFF 20 HA PFF 20 3.712 3.457 1.917 125 1HBC PFF 20 HB2 PFF 20 0.941 4.400 2.699 126 2HBC PFF 20 HB3 PFF 20 2.203 3.896 3.806 127 HD1 PFF 20 HD1 PFF 20 1.191 6.502 1.391 128 HD2 PFF 20 HD2 PFF 20 4.133 5.345 4.284 129 HE1 PFF 20 HE1 PFF 20 1.844 8.894 1.677 130 HE2 PFF 20 HE2 PFF 20 4.879 7.697 4.463 131 H CYS 21 H CYS 21 3.478 1.558 3.310 132 HA CYS 21 HA CYS 21 1.757 -0.523 2.063 133 1HB CYS 21 HB2 CYS 21 3.888 -0.578 4.086 134 2HB CYS 21 HB1 CYS 21 2.923 -1.876 3.858 135 H GLY 22 H GLY 22 -0.144 -1.362 2.891 136 1HA GLY 22 HA3 GLY 22 -0.267 -1.808 5.726 137 2HA GLY 22 HA2 GLY 22 -1.401 -0.529 5.272 138 H LYS 23 H LYS 23 -2.473 -2.776 6.346 139 HA LYS 23 HA LYS 23 -3.366 -4.470 4.116 140 1HB LYS 23 HB2 LYS 23 -2.789 -5.440 6.267 141 2HB LYS 23 HB1 LYS 23 -3.995 -4.617 7.000 142 1HG LYS 23 HG2 LYS 23 -4.640 -6.843 6.742 143 2HG LYS 23 HG1 LYS 23 -5.589 -5.904 5.801 144 1HD LYS 23 HD2 LYS 23 -3.318 -7.146 4.610 145 2HD LYS 23 HD1 LYS 23 -4.649 -8.056 4.873 146 1HE LYS 23 HE2 LYS 23 -5.920 -6.572 3.502 147 2HE LYS 23 HE1 LYS 23 -4.574 -5.691 3.221 148 1HZ LYS 23 HZ1 LYS 23 -5.002 -8.403 2.379 149 2HZ LYS 23 HZ2 LYS 23 -4.898 -7.085 1.387 150 3HZ LYS 23 HZ3 LYS 23 -3.579 -7.621 2.216 151 H GLY 24 H GLY 24 -4.394 -1.695 5.456 152 1HA GLY 24 HA3 GLY 24 -7.261 -2.157 5.530 153 2HA GLY 24 HA2 GLY 24 -6.472 -0.583 5.698 154 HA PRO 25 HA PRO 25 -8.694 -1.450 1.530 155 1HB PRO 25 HB2 PRO 25 -10.739 0.297 1.864 156 2HB PRO 25 HB1 PRO 25 -10.848 -1.290 2.235 157 1HG PRO 25 HG2 PRO 25 -10.363 0.901 4.058 158 2HG PRO 25 HG1 PRO 25 -11.337 -0.387 4.299 159 1HD PRO 25 HD2 PRO 25 -8.958 -0.385 5.345 160 2HD PRO 25 HD1 PRO 25 -9.574 -1.783 4.766 161 H LYS 26 H LYS 26 -8.099 1.629 3.302 162 HA LYS 26 HA LYS 26 -7.790 3.361 1.088 163 1HB LYS 26 HB2 LYS 26 -6.358 3.388 3.663 164 2HB LYS 26 HB1 LYS 26 -6.491 4.646 2.630 165 1HG LYS 26 HG2 LYS 26 -8.991 4.234 2.977 166 2HG LYS 26 HG1 LYS 26 -8.472 3.588 4.384 167 1HD LYS 26 HD2 LYS 26 -8.886 5.749 4.970 168 2HD LYS 26 HD1 LYS 26 -7.276 5.771 4.695 169 1HE LYS 26 HE2 LYS 26 -7.663 6.609 2.495 170 2HE LYS 26 HE1 LYS 26 -9.273 6.585 2.769 171 1HZ LYS 26 HZ1 LYS 26 -8.550 8.781 3.041 172 2HZ LYS 26 HZ2 LYS 26 -8.919 8.203 4.533 173 3HZ LYS 26 HZ3 LYS 26 -7.348 8.305 4.032 174 H TYR 27 H TYR 27 -5.622 0.880 2.335 175 HA TYR 27 HA TYR 27 -3.374 1.784 0.648 176 1HB TYR 27 HB2 TYR 27 -3.674 -0.630 2.330 177 2HB TYR 27 HB1 TYR 27 -2.302 -0.152 1.584 178 HD1 TYR 27 HD1 TYR 27 -0.934 1.671 2.374 179 HD2 TYR 27 HD2 TYR 27 -4.512 0.447 4.392 180 HE1 TYR 27 HE1 TYR 27 -0.205 2.927 4.401 181 HE2 TYR 27 HE2 TYR 27 -3.838 1.820 6.388 182 HH TYR 27 HH TYR 27 -0.802 3.667 6.425 183 H CYS 28 H CYS 28 -5.642 -0.993 0.948 184 HA CYS 28 HA CYS 28 -4.358 -2.240 -1.322 185 1HB CYS 28 HB2 CYS 28 -5.303 -3.195 0.864 186 2HB CYS 28 HB1 CYS 28 -6.718 -3.278 0.051 187 H GLY 29 H GLY 29 -5.070 -0.202 -2.507 188 1HA GLY 29 HA3 GLY 29 -5.865 0.297 -4.645 189 2HA GLY 29 HA2 GLY 29 -6.743 -1.232 -4.648 190 H ARG 30 H ARG 30 -8.229 -0.581 -2.219 191 HA ARG 30 HA ARG 30 -9.962 0.488 -1.306 192 1HB ARG 30 HB2 ARG 30 -9.547 2.638 -3.303 193 2HB ARG 30 HB1 ARG 30 -10.658 2.707 -2.108 194 1HG ARG 30 HG2 ARG 30 -9.097 2.932 -0.497 195 2HG ARG 30 HG1 ARG 30 -7.931 2.236 -1.404 196 1HD ARG 30 HD2 ARG 30 -8.949 4.903 -1.836 197 2HD ARG 30 HD1 ARG 30 -7.511 4.566 -1.139 198 HE ARG 30 HE ARG 30 -8.110 4.489 -3.923 199 1HH1 ARG 30 2HH1 ARG 30 -5.614 3.462 -1.629 200 2HH1 ARG 30 1HH1 ARG 30 -4.710 2.708 -2.899 201 1HH2 ARG 30 2HH2 ARG 30 -7.021 3.304 -5.358 202 2HH2 ARG 30 1HH2 ARG 30 -5.486 2.618 -4.944 203 1HN NH2 31 1HN NH2 31 -11.712 -0.029 -5.004 204 2HN NH2 31 2HN NH2 31 -10.078 0.641 -4.891 205 H1 NAG 32 H1 NAG 32 -7.834 14.832 1.393 206 H2 NAG 32 H2 NAG 32 -7.468 12.116 0.101 207 H3 NAG 32 H3 NAG 32 -6.705 12.878 2.956 208 H4 NAG 32 H4 NAG 32 -4.918 12.414 0.531 209 H5 NAG 32 H5 NAG 32 -5.592 15.018 1.919 210 1H6 NAG 32 1H6 NAG 32 -3.323 15.233 1.444 211 2H6 NAG 32 2H6 NAG 32 -4.085 15.894 -0.001 212 1H8 NAG 32 1H8 NAG 32 -11.110 12.154 3.183 213 2H8 NAG 32 2H8 NAG 32 -11.554 11.698 1.511 214 3H8 NAG 32 3H8 NAG 32 -11.311 10.441 2.743 215 HN2 NAG 32 HN2 NAG 32 -9.668 13.187 1.438 216 HO1 NAG 32 HO1 NAG 32 -7.937 14.932 -1.086 217 HO3 NAG 32 HO3 NAG 32 -7.261 10.656 1.994 218 HO6 NAG 32 HO6 NAG 32 -3.538 14.047 -1.093 219 H1 NAG 33 H1 NAG 33 -3.480 11.126 1.513 220 H2 NAG 33 H2 NAG 33 -1.873 12.566 3.610 221 H3 NAG 33 H3 NAG 33 -1.028 10.035 2.176 222 H4 NAG 33 H4 NAG 33 -2.073 10.048 5.025 223 H5 NAG 33 H5 NAG 33 -3.581 9.179 2.535 224 1H6 NAG 33 1H6 NAG 33 -4.464 9.298 5.446 225 2H6 NAG 33 2H6 NAG 33 -4.269 7.823 4.465 226 1H8 NAG 33 1H8 NAG 33 -0.072 14.413 0.018 227 2H8 NAG 33 2H8 NAG 33 1.103 13.195 -0.547 228 3H8 NAG 33 3H8 NAG 33 -0.620 13.041 -0.987 229 HN2 NAG 33 HN2 NAG 33 -2.005 13.210 0.997 230 HO3 NAG 33 HO3 NAG 33 0.564 11.248 3.083 231 HO6 NAG 33 HO6 NAG 33 -5.757 9.961 3.451 232 H1 NAG 34 H1 NAG 34 -1.671 7.938 5.945 233 H2 NAG 34 H2 NAG 34 0.082 6.330 4.051 234 H3 NAG 34 H3 NAG 34 -0.492 6.115 7.041 235 H4 NAG 34 H4 NAG 34 2.001 6.830 5.419 236 H5 NAG 34 H5 NAG 34 0.247 8.463 7.309 237 1H6 NAG 34 1H6 NAG 34 2.760 9.140 5.708 238 2H6 NAG 34 2H6 NAG 34 2.468 9.422 7.432 239 1H8 NAG 34 1H8 NAG 34 -3.997 4.901 2.315 240 2H8 NAG 34 2H8 NAG 34 -3.568 3.649 3.501 241 3H8 NAG 34 3H8 NAG 34 -4.291 5.190 4.053 242 HN2 NAG 34 HN2 NAG 34 -2.278 5.080 5.413 243 HO4 NAG 34 HO4 NAG 34 3.100 6.427 7.230 244 HO3 NAG 34 HO3 NAG 34 1.392 4.754 6.766 245 HO6 NAG 34 HO6 NAG 34 0.874 10.524 5.332 Start of MODEL 18 1 1H VAL 1 H1 VAL 1 2.653 2.198 6.335 2 2H VAL 1 H2 VAL 1 1.686 2.763 7.535 3 3H VAL 1 H3 VAL 1 1.461 1.242 6.940 4 HA VAL 1 HA VAL 1 3.911 2.131 8.291 5 HB VAL 1 HB VAL 1 3.111 0.581 10.155 6 1HG1 VAL 1 1HG1 VAL 1 1.629 3.212 9.704 7 2HG1 VAL 1 2HG1 VAL 1 1.948 2.415 11.253 8 3HG1 VAL 1 3HG1 VAL 1 3.297 3.044 10.296 9 1HG2 VAL 1 1HG2 VAL 1 0.709 0.396 10.513 10 2HG2 VAL 1 2HG2 VAL 1 0.340 1.200 8.985 11 3HG2 VAL 1 3HG2 VAL 1 1.097 -0.408 8.993 12 H GLY 2 H GLY 2 5.373 1.153 7.247 13 1HA GLY 2 HA3 GLY 2 6.653 -1.017 6.987 14 2HA GLY 2 HA2 GLY 2 5.104 -1.766 6.529 15 H GLU 3 H GLU 3 6.547 1.355 5.688 16 HA GLU 3 HA GLU 3 5.198 1.552 3.348 17 1HB GLU 3 HB2 GLU 3 7.563 2.912 4.422 18 2HB GLU 3 HB1 GLU 3 7.013 3.333 2.943 19 1HG GLU 3 HG2 GLU 3 6.117 4.560 4.953 20 2HG GLU 3 HG1 GLU 3 5.082 4.161 3.754 21 H CYS 4 H CYS 4 5.624 1.751 1.183 22 HA CYS 4 HA CYS 4 6.607 -0.879 0.538 23 1HB CYS 4 HB2 CYS 4 5.334 1.123 -1.218 24 2HB CYS 4 HB1 CYS 4 5.358 -0.495 -1.435 25 H VAL 5 H VAL 5 7.700 -1.463 -1.400 26 HA VAL 5 HA VAL 5 9.928 0.239 -2.293 27 HB VAL 5 HB VAL 5 9.001 -2.455 -3.361 28 1HG1 VAL 5 1HG1 VAL 5 11.389 -2.649 -4.065 29 2HG1 VAL 5 2HG1 VAL 5 10.658 -1.239 -4.829 30 3HG1 VAL 5 3HG1 VAL 5 11.719 -1.029 -3.422 31 1HG2 VAL 5 1HG2 VAL 5 9.464 -2.741 -0.984 32 2HG2 VAL 5 2HG2 VAL 5 10.805 -3.404 -1.914 33 3HG2 VAL 5 3HG2 VAL 5 10.975 -1.818 -1.134 34 H ARG 6 H ARG 6 7.834 1.645 -2.597 35 HA ARG 6 HA ARG 6 6.499 2.917 -3.930 36 1HB ARG 6 HB2 ARG 6 8.522 2.301 -5.992 37 2HB ARG 6 HB1 ARG 6 7.561 3.621 -5.939 38 1HG ARG 6 HG2 ARG 6 9.674 3.040 -4.065 39 2HG ARG 6 HG1 ARG 6 9.747 4.180 -5.232 40 1HD ARG 6 HD2 ARG 6 9.285 5.451 -3.449 41 2HD ARG 6 HD1 ARG 6 7.778 5.173 -4.012 42 HE ARG 6 HE ARG 6 8.747 3.395 -1.941 43 1HH1 ARG 6 2HH2 ARG 6 6.673 6.145 -2.638 44 2HH1 ARG 6 1HH2 ARG 6 5.767 5.927 -1.178 45 1HH2 ARG 6 2HH1 ARG 6 7.497 3.080 -0.199 46 2HH2 ARG 6 1HH1 ARG 6 6.232 4.194 0.199 47 H GLY 7 H GLY 7 5.702 0.439 -3.630 48 1HA GLY 7 HA3 GLY 7 3.376 0.381 -5.128 49 2HA GLY 7 HA2 GLY 7 4.452 -0.619 -6.102 50 H ARG 8 H ARG 8 5.780 -1.868 -3.669 51 HA ARG 8 HA ARG 8 3.460 -3.246 -2.398 52 1HB ARG 8 HB2 ARG 8 5.608 -4.351 -4.022 53 2HB ARG 8 HB1 ARG 8 5.301 -5.172 -2.644 54 1HG ARG 8 HG2 ARG 8 3.411 -4.684 -4.755 55 2HG ARG 8 HG1 ARG 8 4.088 -6.128 -4.403 56 1HD ARG 8 HD2 ARG 8 2.073 -4.751 -2.892 57 2HD ARG 8 HD1 ARG 8 1.956 -6.234 -3.566 58 HE ARG 8 HE ARG 8 3.952 -6.225 -1.532 59 1HH1 ARG 8 2HH2 ARG 8 0.474 -6.509 -1.986 60 2HH1 ARG 8 1HH2 ARG 8 0.279 -7.268 -0.441 61 1HH2 ARG 8 2HH1 ARG 8 3.614 -7.120 0.402 62 2HH2 ARG 8 1HH1 ARG 8 2.024 -7.607 0.886 63 H CYS 9 H CYS 9 3.742 -4.036 -0.350 64 HA CYS 9 HA CYS 9 6.302 -3.538 1.058 65 1HB CYS 9 HB2 CYS 9 4.276 -4.678 2.601 66 2HB CYS 9 HB1 CYS 9 4.987 -3.219 2.785 67 HA PRO 10 HA PRO 10 6.643 -8.110 1.000 68 1HB PRO 10 HB2 PRO 10 7.503 -8.680 3.448 69 2HB PRO 10 HB1 PRO 10 8.496 -7.920 2.397 70 1HG PRO 10 HG2 PRO 10 6.959 -6.704 4.534 71 2HG PRO 10 HG1 PRO 10 8.522 -6.413 4.159 72 1HD PRO 10 HD2 PRO 10 6.613 -4.825 3.294 73 2HD PRO 10 HD1 PRO 10 7.975 -5.050 2.421 74 H SER 11 H SER 11 5.787 -10.032 2.293 75 HA SER 11 HA SER 11 4.091 -11.251 3.207 76 1HB SER 11 HB2 SER 11 5.144 -10.083 5.096 77 2HB SER 11 HB1 SER 11 3.915 -9.008 5.102 78 HG SER 11 HG SER 11 3.676 -10.827 6.540 79 H GLY 12 H GLY 12 1.916 -10.936 4.506 80 1HA GLY 12 HA3 GLY 12 -0.103 -10.619 2.473 81 2HA GLY 12 HA2 GLY 12 -0.396 -10.951 4.179 82 H MET 13 H MET 13 1.327 -7.999 3.387 83 HA MET 13 HA MET 13 -0.993 -6.365 4.294 84 1HB MET 13 HB2 MET 13 1.816 -5.601 3.817 85 2HB MET 13 HB1 MET 13 0.651 -4.644 4.447 86 1HG MET 13 HG2 MET 13 1.708 -7.003 5.710 87 2HG MET 13 HG1 MET 13 2.051 -5.470 6.159 88 1HE MET 13 HE1 MET 13 0.122 -6.692 9.269 89 2HE MET 13 HE2 MET 13 1.292 -7.593 8.277 90 3HE MET 13 HE3 MET 13 1.598 -5.888 8.687 91 H CYS 14 H CYS 14 -1.114 -4.167 3.022 92 HA CYS 14 HA CYS 14 -0.750 -4.612 0.100 93 1HB CYS 14 HB2 CYS 14 -3.153 -3.326 1.096 94 2HB CYS 14 HB1 CYS 14 -2.919 -4.170 -0.282 95 H CYS 15 H CYS 15 -1.204 -2.370 -1.049 96 HA CYS 15 HA CYS 15 0.383 -0.340 0.469 97 1HB CYS 15 HB2 CYS 15 1.753 -1.857 -0.885 98 2HB CYS 15 HB1 CYS 15 0.969 -1.376 -2.235 99 H SER 16 H SER 16 -0.150 1.810 0.053 100 HA SER 16 HA SER 16 -2.329 2.358 -1.866 101 1HB SER 16 HB2 SER 16 -2.225 4.526 -0.899 102 2HB SER 16 HB1 SER 16 -2.213 3.438 0.319 103 HG SER 16 HG SER 16 -0.780 4.940 0.824 104 H GLN 17 H GLN 17 -2.009 4.419 -3.379 105 HA GLN 17 HA GLN 17 0.256 3.765 -5.036 106 1HB GLN 17 HB2 GLN 17 -0.732 4.978 -6.581 107 2HB GLN 17 HB1 GLN 17 -2.021 4.472 -5.714 108 1HG GLN 17 HG2 GLN 17 -0.920 7.063 -5.259 109 2HG GLN 17 HG1 GLN 17 -1.985 6.827 -6.475 110 1HE2 GLN 17 1HE2 GLN 17 -3.591 8.219 -5.709 111 2HE2 GLN 17 2HE2 GLN 17 -4.501 7.810 -4.267 112 1HN PFF 18 H PFF 18 -0.032 5.880 -2.385 113 HA PFF 18 HA PFF 18 2.369 7.446 -3.161 114 1HBC PFF 18 HB2 PFF 18 0.570 7.386 -0.720 115 2HBC PFF 18 HB3 PFF 18 2.125 8.214 -0.713 116 HD1 PFF 18 HD1 PFF 18 -1.095 8.065 -2.671 117 HD2 PFF 18 HD2 PFF 18 2.351 10.399 -1.542 118 HE1 PFF 18 HE1 PFF 18 -1.894 9.942 -4.081 119 HE2 PFF 18 HE2 PFF 18 1.486 12.307 -2.868 120 H GLY 19 H GLY 19 1.862 4.267 -2.305 121 1HA GLY 19 HA3 GLY 19 3.388 2.673 -1.786 122 2HA GLY 19 HA2 GLY 19 4.636 3.891 -1.669 123 1HN PFF 20 H PFF 20 1.625 3.949 0.228 124 HA PFF 20 HA PFF 20 3.239 3.468 2.705 125 1HBC PFF 20 HB2 PFF 20 1.500 5.517 2.178 126 2HBC PFF 20 HB3 PFF 20 0.416 4.365 2.917 127 HD1 PFF 20 HD1 PFF 20 3.751 5.994 3.401 128 HD2 PFF 20 HD2 PFF 20 0.505 4.003 5.370 129 HE1 PFF 20 HE1 PFF 20 4.581 6.827 5.586 130 HE2 PFF 20 HE2 PFF 20 1.340 4.814 7.558 131 H CYS 21 H CYS 21 2.564 1.856 4.143 132 HA CYS 21 HA CYS 21 1.038 -0.273 2.692 133 1HB CYS 21 HB2 CYS 21 3.388 -0.536 3.363 134 2HB CYS 21 HB1 CYS 21 2.917 -0.581 4.926 135 H GLY 22 H GLY 22 -0.607 -1.518 3.607 136 1HA GLY 22 HA3 GLY 22 -1.151 -1.792 6.359 137 2HA GLY 22 HA2 GLY 22 -2.199 -0.498 5.735 138 H LYS 23 H LYS 23 -3.770 -2.383 6.485 139 HA LYS 23 HA LYS 23 -4.475 -3.791 3.936 140 1HB LYS 23 HB2 LYS 23 -5.038 -4.722 6.682 141 2HB LYS 23 HB1 LYS 23 -5.624 -5.429 5.331 142 1HG LYS 23 HG2 LYS 23 -3.331 -5.777 4.608 143 2HG LYS 23 HG1 LYS 23 -2.841 -5.242 6.071 144 1HD LYS 23 HD2 LYS 23 -2.814 -7.581 6.098 145 2HD LYS 23 HD1 LYS 23 -4.000 -7.068 7.097 146 1HE LYS 23 HE2 LYS 23 -4.763 -8.904 5.818 147 2HE LYS 23 HE1 LYS 23 -5.621 -7.567 5.435 148 1HZ LYS 23 HZ1 LYS 23 -4.375 -7.289 3.474 149 2HZ LYS 23 HZ2 LYS 23 -3.400 -8.531 3.893 150 3HZ LYS 23 HZ3 LYS 23 -4.971 -8.823 3.498 151 H GLY 24 H GLY 24 -5.276 -1.199 5.529 152 1HA GLY 24 HA3 GLY 24 -8.200 -1.288 5.457 153 2HA GLY 24 HA2 GLY 24 -7.197 0.155 5.675 154 HA PRO 25 HA PRO 25 -9.611 -0.520 1.683 155 1HB PRO 25 HB2 PRO 25 -10.615 2.036 1.513 156 2HB PRO 25 HB1 PRO 25 -11.395 0.747 2.143 157 1HG PRO 25 HG2 PRO 25 -9.957 2.794 3.575 158 2HG PRO 25 HG1 PRO 25 -11.338 2.049 4.028 159 1HD PRO 25 HD2 PRO 25 -9.107 1.295 5.099 160 2HD PRO 25 HD1 PRO 25 -10.228 0.164 4.735 161 H LYS 26 H LYS 26 -7.935 2.641 2.144 162 HA LYS 26 HA LYS 26 -7.123 2.728 -0.648 163 1HB LYS 26 HB2 LYS 26 -6.680 4.378 1.718 164 2HB LYS 26 HB1 LYS 26 -5.593 4.528 0.509 165 1HG LYS 26 HG2 LYS 26 -8.413 5.043 0.283 166 2HG LYS 26 HG1 LYS 26 -7.242 6.182 0.296 167 1HD LYS 26 HD2 LYS 26 -7.929 4.395 -1.827 168 2HD LYS 26 HD1 LYS 26 -7.765 6.019 -1.898 169 1HE LYS 26 HE2 LYS 26 -5.535 4.219 -1.635 170 2HE LYS 26 HE1 LYS 26 -6.022 4.841 -3.064 171 1HZ LYS 26 HZ1 LYS 26 -4.222 6.084 -2.353 172 2HZ LYS 26 HZ2 LYS 26 -5.542 7.034 -2.216 173 3HZ LYS 26 HZ3 LYS 26 -4.857 6.337 -0.878 174 H TYR 27 H TYR 27 -5.851 0.798 1.817 175 HA TYR 27 HA TYR 27 -3.130 0.852 0.561 176 1HB TYR 27 HB2 TYR 27 -4.079 -0.758 2.840 177 2HB TYR 27 HB1 TYR 27 -2.534 -0.547 2.353 178 HD1 TYR 27 HD1 TYR 27 -1.527 1.859 2.480 179 HD2 TYR 27 HD2 TYR 27 -5.127 0.639 4.445 180 HE1 TYR 27 HE1 TYR 27 -1.227 3.658 4.180 181 HE2 TYR 27 HE2 TYR 27 -4.779 2.401 6.191 182 HH TYR 27 HH TYR 27 -2.069 4.688 6.126 183 H CYS 28 H CYS 28 -5.889 -1.310 1.321 184 HA CYS 28 HA CYS 28 -4.811 -3.273 -0.594 185 1HB CYS 28 HB2 CYS 28 -5.574 -3.499 1.889 186 2HB CYS 28 HB1 CYS 28 -7.028 -3.789 1.204 187 H GLY 29 H GLY 29 -6.839 -0.755 -1.127 188 1HA GLY 29 HA3 GLY 29 -8.348 -0.377 -2.842 189 2HA GLY 29 HA2 GLY 29 -7.927 -1.962 -3.525 190 H ARG 30 H ARG 30 -9.171 -1.168 -0.342 191 HA ARG 30 HA ARG 30 -10.836 -2.085 0.984 192 1HB ARG 30 HB2 ARG 30 -12.490 -1.121 -0.103 193 2HB ARG 30 HB1 ARG 30 -12.148 -1.783 -1.556 194 1HG ARG 30 HG2 ARG 30 -13.548 -3.175 0.517 195 2HG ARG 30 HG1 ARG 30 -14.297 -2.375 -0.694 196 1HD ARG 30 HD2 ARG 30 -13.307 -4.967 -0.691 197 2HD ARG 30 HD1 ARG 30 -14.387 -4.292 -1.713 198 HE ARG 30 HE ARG 30 -11.871 -3.370 -2.457 199 1HH1 ARG 30 2HH1 ARG 30 -13.571 -6.442 -2.552 200 2HH1 ARG 30 1HH1 ARG 30 -12.461 -7.080 -3.718 201 1HH2 ARG 30 2HH2 ARG 30 -10.523 -4.209 -3.866 202 2HH2 ARG 30 1HH2 ARG 30 -10.743 -5.821 -4.458 203 1HN NH2 31 1HN NH2 31 -9.661 -5.603 -0.284 204 2HN NH2 31 2HN NH2 31 -9.050 -4.143 -1.033 205 H1 NAG 32 H1 NAG 32 -7.258 12.772 -3.223 206 H2 NAG 32 H2 NAG 32 -5.034 11.339 -4.707 207 H3 NAG 32 H3 NAG 32 -5.645 11.074 -1.745 208 H4 NAG 32 H4 NAG 32 -3.288 12.547 -2.990 209 H5 NAG 32 H5 NAG 32 -5.806 13.762 -1.759 210 1H6 NAG 32 1H6 NAG 32 -4.737 15.889 -2.765 211 2H6 NAG 32 2H6 NAG 32 -3.204 15.009 -2.702 212 1H8 NAG 32 1H8 NAG 32 -7.875 7.208 -4.169 213 2H8 NAG 32 2H8 NAG 32 -8.873 8.592 -3.654 214 3H8 NAG 32 3H8 NAG 32 -8.239 8.505 -5.323 215 HN2 NAG 32 HN2 NAG 32 -7.622 10.617 -4.579 216 HO1 NAG 32 HO1 NAG 32 -6.719 13.789 -5.438 217 HO3 NAG 32 HO3 NAG 32 -4.623 9.391 -2.730 218 HO6 NAG 32 HO6 NAG 32 -3.314 15.038 -0.515 219 H1 NAG 33 H1 NAG 33 -2.234 11.082 -1.431 220 H2 NAG 33 H2 NAG 33 -2.250 12.522 1.213 221 H3 NAG 33 H3 NAG 33 -0.426 10.203 0.496 222 H4 NAG 33 H4 NAG 33 -2.828 10.253 2.385 223 H5 NAG 33 H5 NAG 33 -2.320 8.980 -0.337 224 1H6 NAG 33 1H6 NAG 33 -4.959 8.517 0.240 225 2H6 NAG 33 2H6 NAG 33 -4.231 8.205 1.817 226 1H8 NAG 33 1H8 NAG 33 0.337 15.794 -0.835 227 2H8 NAG 33 2H8 NAG 33 1.373 14.436 -0.331 228 3H8 NAG 33 3H8 NAG 33 0.587 14.426 -1.946 229 HN2 NAG 33 HN2 NAG 33 0.213 12.318 -0.442 230 HO3 NAG 33 HO3 NAG 33 -0.050 10.495 2.767 231 HO6 NAG 33 HO6 NAG 33 -2.861 6.678 0.738 232 H1 NAG 34 H1 NAG 34 -2.265 9.057 4.176 233 H2 NAG 34 H2 NAG 34 -0.440 6.638 3.815 234 H3 NAG 34 H3 NAG 34 -1.940 7.855 6.185 235 H4 NAG 34 H4 NAG 34 1.022 7.504 5.521 236 H5 NAG 34 H5 NAG 34 -0.734 9.966 5.856 237 1H6 NAG 34 1H6 NAG 34 1.270 11.207 5.226 238 2H6 NAG 34 2H6 NAG 34 2.187 9.706 5.005 239 1H8 NAG 34 1H8 NAG 34 -4.009 4.121 2.200 240 2H8 NAG 34 2H8 NAG 34 -4.451 4.693 3.826 241 3H8 NAG 34 3H8 NAG 34 -4.828 5.709 2.414 242 HN2 NAG 34 HN2 NAG 34 -3.234 6.264 4.735 243 HO4 NAG 34 HO4 NAG 34 1.028 8.753 7.611 244 HO3 NAG 34 HO3 NAG 34 -0.483 6.374 7.201 245 HO6 NAG 34 HO6 NAG 34 2.509 10.833 7.043
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