NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635714 | 6hz2 | 34322 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 1.225 -0.236 0.115 2 HA2 GLY 1 HA1 GLY 1 1.000 1.613 -1.579 3 HA3 GLY 1 HA2 GLY 1 1.523 2.172 0.062 4 H ILE 2 HN ILE 2 4.072 0.685 -0.506 5 HA ILE 2 HA ILE 2 5.644 2.895 -1.058 6 HB ILE 2 HB ILE 2 6.375 1.011 0.279 7 HG12 ILE 2 HG11 ILE 2 8.285 1.491 -2.087 8 HG13 ILE 2 HG12 ILE 2 7.987 2.659 -0.759 9 HG21 ILE 2 HG21 ILE 2 7.132 -1.110 -0.715 10 HG22 ILE 2 HG22 ILE 2 5.418 -0.850 -1.161 11 HG23 ILE 2 HG23 ILE 2 6.731 -0.550 -2.370 12 HD11 ILE 2 HD1 ILE 2 8.791 0.940 0.919 13 HD12 ILE 2 HD2 ILE 2 9.164 -0.185 -0.435 14 HD13 ILE 2 HD3 ILE 2 10.051 1.371 -0.292 15 H GLY 3 HN GLY 3 4.524 0.452 -3.340 16 HA2 GLY 3 HA1 GLY 3 6.112 1.100 -5.559 17 HA3 GLY 3 HA2 GLY 3 4.442 0.442 -5.596 18 H GLY 4 HN GLY 4 3.276 2.821 -4.278 19 HA2 GLY 4 HA1 GLY 4 2.964 4.473 -6.638 20 HA3 GLY 4 HA2 GLY 4 2.141 4.617 -5.045 21 H LYS 5 HN LYS 5 5.211 4.459 -4.130 22 HA LYS 5 HA LYS 5 5.747 7.343 -4.477 23 HB2 LYS 5 HB1 LYS 5 5.683 6.296 -2.155 24 HB3 LYS 5 HB2 LYS 5 7.101 5.314 -2.606 25 HG2 LYS 5 HG1 LYS 5 8.405 7.464 -2.998 26 HG3 LYS 5 HG2 LYS 5 6.943 8.395 -2.527 27 HD2 LYS 5 HD1 LYS 5 7.003 7.175 -0.254 28 HD3 LYS 5 HD2 LYS 5 8.501 6.371 -0.787 29 HE2 LYS 5 HE1 LYS 5 9.136 8.195 0.696 30 HE3 LYS 5 HE2 LYS 5 9.641 8.649 -0.980 31 HZ1 LYS 5 HZ1 LYS 5 8.560 10.468 0.175 32 HZ2 LYS 5 HZ2 LYS 5 7.163 9.544 0.423 33 HZ3 LYS 5 HZ3 LYS 5 7.621 9.975 -1.150 34 H ILE 6 HN ILE 6 7.479 4.143 -4.609 35 HA ILE 6 HA ILE 6 9.691 5.333 -5.894 36 HB ILE 6 HB ILE 6 10.687 3.169 -6.081 37 HG12 ILE 6 HG11 ILE 6 8.012 2.046 -5.043 38 HG13 ILE 6 HG12 ILE 6 8.683 1.797 -6.691 39 HG21 ILE 6 HG21 ILE 6 9.262 3.578 -3.366 40 HG22 ILE 6 HG22 ILE 6 10.850 2.788 -3.657 41 HG23 ILE 6 HG23 ILE 6 10.670 4.549 -3.951 42 HD11 ILE 6 HD1 ILE 6 10.696 0.636 -5.671 43 HD12 ILE 6 HD2 ILE 6 9.922 0.779 -4.051 44 HD13 ILE 6 HD3 ILE 6 9.136 -0.199 -5.335 45 H LEU 7 HN LEU 7 6.940 3.495 -7.402 46 HA LEU 7 HA LEU 7 8.349 3.484 -9.919 47 HB2 LEU 7 HB1 LEU 7 5.419 2.853 -9.306 48 HB3 LEU 7 HB2 LEU 7 6.247 2.545 -10.860 49 HG LEU 7 HG LEU 7 6.930 1.240 -8.159 50 HD11 LEU 7 HD11 LEU 7 5.522 0.096 -10.653 51 HD12 LEU 7 HD12 LEU 7 4.750 0.501 -9.078 52 HD13 LEU 7 HD13 LEU 7 5.967 -0.824 -9.163 53 HD21 LEU 7 HD21 LEU 7 8.371 -0.313 -9.512 54 HD22 LEU 7 HD22 LEU 7 8.981 1.376 -9.549 55 HD23 LEU 7 HD23 LEU 7 8.083 0.713 -10.974 56 H SER 8 HN SER 8 6.160 5.662 -8.280 57 HA SER 8 HA SER 8 5.380 7.188 -10.512 58 HB2 SER 8 HB1 SER 8 5.677 8.021 -7.570 59 HB3 SER 8 HB2 SER 8 4.723 8.899 -8.829 60 HG SER 8 HG1 SER 8 3.677 7.222 -7.348 61 H GLY 9 HN GLY 9 8.370 6.989 -8.795 62 HA2 GLY 9 HA1 GLY 9 9.467 9.298 -10.272 63 HA3 GLY 9 HA2 GLY 9 10.328 8.211 -9.122 64 H LEU 10 HN LEU 10 10.268 5.800 -9.917 65 HA LEU 10 HA LEU 10 12.082 5.829 -11.993 66 HB2 LEU 10 HB1 LEU 10 11.985 4.293 -10.060 67 HB3 LEU 10 HB2 LEU 10 10.537 3.493 -10.715 68 HG LEU 10 HG LEU 10 12.771 2.295 -10.876 69 HD11 LEU 10 HD11 LEU 10 10.788 1.605 -12.239 70 HD12 LEU 10 HD12 LEU 10 12.385 1.222 -13.005 71 HD13 LEU 10 HD13 LEU 10 11.418 2.608 -13.615 72 HD21 LEU 10 HD21 LEU 10 14.369 2.810 -12.664 73 HD22 LEU 10 HD22 LEU 10 14.197 4.228 -11.571 74 HD23 LEU 10 HD23 LEU 10 13.400 4.229 -13.189 75 H LYS 11 HN LYS 11 8.631 4.676 -12.267 76 HA LYS 11 HA LYS 11 9.103 3.868 -15.011 77 HB2 LYS 11 HB1 LYS 11 6.597 4.007 -13.267 78 HB3 LYS 11 HB2 LYS 11 6.506 3.656 -15.012 79 HG2 LYS 11 HG1 LYS 11 8.157 1.965 -13.044 80 HG3 LYS 11 HG2 LYS 11 6.458 1.629 -13.534 81 HD2 LYS 11 HD1 LYS 11 7.194 1.647 -15.964 82 HD3 LYS 11 HD2 LYS 11 8.896 1.705 -15.440 83 HE2 LYS 11 HE1 LYS 11 6.858 -0.548 -14.773 84 HE3 LYS 11 HE2 LYS 11 8.099 -0.612 -16.085 85 HZ1 LYS 11 HZ1 LYS 11 8.848 -1.730 -14.103 86 HZ2 LYS 11 HZ2 LYS 11 8.645 -0.323 -13.174 87 HZ3 LYS 11 HZ3 LYS 11 9.812 -0.368 -14.406 88 H THR 12 HN THR 12 7.620 6.660 -13.339 89 HA THR 12 HA THR 12 6.725 8.032 -15.557 90 HB THR 12 HB THR 12 7.993 9.267 -13.066 91 HG1 THR 12 HG1 THR 12 6.123 8.982 -12.142 92 HG21 THR 12 HG21 THR 12 7.401 10.930 -14.904 93 HG22 THR 12 HG22 THR 12 6.273 11.066 -13.512 94 HG23 THR 12 HG23 THR 12 5.749 10.206 -15.001 95 H ALA 13 HN ALA 13 10.046 8.170 -14.054 96 HA ALA 13 HA ALA 13 11.093 9.914 -15.999 97 HB1 ALA 13 HB1 ALA 13 13.305 9.060 -15.174 98 HB2 ALA 13 HB2 ALA 13 12.186 9.409 -13.809 99 HB3 ALA 13 HB3 ALA 13 12.452 7.710 -14.328 100 H LEU 14 HN LEU 14 11.078 6.314 -15.895 101 HA LEU 14 HA LEU 14 12.587 5.906 -18.175 102 HB2 LEU 14 HB1 LEU 14 12.109 4.257 -16.351 103 HB3 LEU 14 HB2 LEU 14 10.414 4.152 -16.904 104 HG LEU 14 HG LEU 14 11.230 3.187 -19.102 105 HD11 LEU 14 HD11 LEU 14 13.988 3.200 -17.710 106 HD12 LEU 14 HD12 LEU 14 13.537 4.132 -19.186 107 HD13 LEU 14 HD13 LEU 14 13.592 2.337 -19.239 108 HD21 LEU 14 HD21 LEU 14 10.485 1.714 -17.247 109 HD22 LEU 14 HD22 LEU 14 12.166 1.706 -16.568 110 HD23 LEU 14 HD23 LEU 14 11.837 0.957 -18.175 111 H LYS 15 HN LYS 15 8.981 6.117 -17.988 112 HA LYS 15 HA LYS 15 8.977 6.420 -20.896 113 HB2 LYS 15 HB1 LYS 15 8.896 3.873 -20.069 114 HB3 LYS 15 HB2 LYS 15 7.206 4.274 -19.668 115 HG2 LYS 15 HG1 LYS 15 7.112 3.257 -21.764 116 HG3 LYS 15 HG2 LYS 15 6.928 4.974 -22.175 117 HD2 LYS 15 HD1 LYS 15 9.617 3.410 -22.349 118 HD3 LYS 15 HD2 LYS 15 8.397 3.452 -23.641 119 HE2 LYS 15 HE1 LYS 15 9.457 5.211 -24.533 120 HE3 LYS 15 HE2 LYS 15 8.699 6.182 -23.219 121 HZ1 LYS 15 HZ1 LYS 15 10.952 6.645 -23.202 122 HZ2 LYS 15 HZ2 LYS 15 11.447 5.030 -23.321 123 HZ3 LYS 15 HZ3 LYS 15 10.768 5.621 -21.887 124 H GLY 16 HN GLY 16 8.127 7.986 -18.365 125 HA2 GLY 16 HA1 GLY 16 5.648 8.956 -19.684 126 HA3 GLY 16 HA2 GLY 16 6.229 9.379 -18.027 127 H ALA 17 HN ALA 17 8.310 10.503 -17.890 128 HA ALA 17 HA ALA 17 8.464 12.751 -19.546 129 HB1 ALA 17 HB1 ALA 17 9.270 12.662 -17.171 130 HB2 ALA 17 HB2 ALA 17 10.572 11.516 -17.661 131 HB3 ALA 17 HB3 ALA 17 10.581 13.215 -18.273 132 H ALA 18 HN ALA 18 10.502 9.752 -19.579 133 HA ALA 18 HA ALA 18 11.760 10.656 -22.035 134 HB1 ALA 18 HB1 ALA 18 13.078 9.478 -20.293 135 HB2 ALA 18 HB2 ALA 18 12.045 8.024 -20.492 136 HB3 ALA 18 HB3 ALA 18 13.094 8.591 -21.856 137 H LYS 19 HN LYS 19 8.653 9.772 -21.788 138 HA LYS 19 HA LYS 19 8.822 8.527 -24.457 139 HB2 LYS 19 HB1 LYS 19 6.954 7.873 -22.677 140 HB3 LYS 19 HB2 LYS 19 6.189 9.386 -23.174 141 HG2 LYS 19 HG1 LYS 19 6.979 6.973 -24.929 142 HG3 LYS 19 HG2 LYS 19 5.328 7.346 -24.369 143 HD2 LYS 19 HD1 LYS 19 6.856 9.207 -26.341 144 HD3 LYS 19 HD2 LYS 19 6.006 7.738 -26.817 145 HE2 LYS 19 HE1 LYS 19 4.318 9.131 -27.268 146 HE3 LYS 19 HE2 LYS 19 3.887 8.786 -25.548 147 HZ1 LYS 19 HZ1 LYS 19 4.919 10.879 -24.936 148 HZ2 LYS 19 HZ2 LYS 19 3.813 11.170 -26.085 149 HZ3 LYS 19 HZ3 LYS 19 5.417 11.161 -26.544 150 H GLU 20 HN GLU 20 7.445 11.403 -22.680 151 HA GLU 20 HA GLU 20 6.926 12.838 -24.936 152 HB2 GLU 20 HB1 GLU 20 7.593 14.075 -22.226 153 HB3 GLU 20 HB2 GLU 20 6.609 14.768 -23.561 154 HG2 GLU 20 HG1 GLU 20 5.864 12.508 -21.626 155 HG3 GLU 20 HG2 GLU 20 4.955 14.011 -22.029 156 H LEU 21 HN LEU 21 9.975 13.060 -23.049 157 HA LEU 21 HA LEU 21 11.189 15.029 -24.618 158 HB2 LEU 21 HB1 LEU 21 11.878 14.259 -22.364 159 HB3 LEU 21 HB2 LEU 21 12.436 12.701 -23.028 160 HG LEU 21 HG LEU 21 13.602 15.289 -24.149 161 HD11 LEU 21 HD11 LEU 21 15.277 15.387 -22.305 162 HD12 LEU 21 HD12 LEU 21 14.414 14.063 -21.436 163 HD13 LEU 21 HD13 LEU 21 13.606 15.659 -21.687 164 HD21 LEU 21 HD21 LEU 21 15.708 13.928 -24.237 165 HD22 LEU 21 HD22 LEU 21 14.383 13.116 -25.132 166 HD23 LEU 21 HD23 LEU 21 14.848 12.533 -23.488 167 H ALA 22 HN ALA 22 10.829 11.570 -25.224 168 HA ALA 22 HA ALA 22 12.725 11.677 -27.470 169 HB1 ALA 22 HB1 ALA 22 12.527 9.183 -27.355 170 HB2 ALA 22 HB2 ALA 22 12.958 9.867 -25.746 171 HB3 ALA 22 HB3 ALA 22 11.262 9.350 -26.077 172 H SER 23 HN SER 23 9.576 12.509 -27.133 173 HA SER 23 HA SER 23 8.170 10.592 -28.512 174 HB2 SER 23 HB1 SER 23 7.324 12.492 -26.956 175 HB3 SER 23 HB2 SER 23 7.175 13.489 -28.429 176 HG SER 23 HG1 SER 23 5.764 11.882 -29.241 177 H THR 24 HN THR 24 9.453 13.676 -29.926 178 HA THR 24 HA THR 24 8.361 13.297 -32.454 179 HB THR 24 HB THR 24 11.104 14.547 -31.921 180 HG1 THR 24 HG1 THR 24 9.860 16.421 -31.569 181 HG21 THR 24 HG21 THR 24 10.344 16.073 -33.792 182 HG22 THR 24 HG22 THR 24 8.772 15.195 -33.878 183 HG23 THR 24 HG23 THR 24 10.303 14.368 -34.340 184 H TYR 25 HN TYR 25 11.446 12.157 -31.089 185 HA TYR 25 HA TYR 25 12.488 11.115 -33.494 186 HB2 TYR 25 HB1 TYR 25 13.242 10.464 -30.570 187 HB3 TYR 25 HB2 TYR 25 14.281 10.204 -32.026 188 HD1 TYR 25 HD1 TYR 25 14.790 12.300 -33.478 189 HD2 TYR 25 HD2 TYR 25 13.334 12.531 -29.441 190 HE1 TYR 25 HE1 TYR 25 15.582 14.637 -33.326 191 HE2 TYR 25 HE2 TYR 25 14.121 14.874 -29.293 192 HH TYR 25 HH TYR 25 15.766 16.468 -32.030 193 H LEU 26 HN LEU 26 10.762 9.512 -30.778 194 HA LEU 26 HA LEU 26 11.075 6.923 -32.155 195 HB2 LEU 26 HB1 LEU 26 10.282 7.849 -29.361 196 HB3 LEU 26 HB2 LEU 26 9.832 6.206 -29.910 197 HG LEU 26 HG LEU 26 12.142 5.570 -30.278 198 HD11 LEU 26 HD11 LEU 26 14.050 6.989 -29.396 199 HD12 LEU 26 HD12 LEU 26 12.907 8.387 -29.294 200 HD13 LEU 26 HD13 LEU 26 13.288 7.636 -30.887 201 HD21 LEU 26 HD21 LEU 26 12.848 5.500 -27.888 202 HD22 LEU 26 HD22 LEU 26 11.072 5.211 -28.060 203 HD23 LEU 26 HD23 LEU 26 11.676 6.822 -27.499 204 H HIS 27 HN HIS 27 8.708 9.409 -31.967 205 HA HIS 27 HA HIS 27 6.780 7.638 -33.293 206 HB2 HIS 27 HB1 HIS 27 6.167 9.417 -30.847 207 HB3 HIS 27 HB2 HIS 27 4.891 8.800 -31.955 208 HD2 HIS 27 HD2 HIS 27 6.060 5.635 -32.137 209 HE1 HIS 27 HE1 HIS 27 4.842 5.803 -28.082 210 HE2 HIS 27 HE2 HIS 27 5.366 4.277 -30.073 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 1.489 -0.933 -0.212 2 HA2 GLY 1 HA1 GLY 1 1.119 1.043 -1.714 3 HA3 GLY 1 HA2 GLY 1 1.540 1.492 -0.010 4 H ILE 2 HN ILE 2 4.258 0.391 -0.543 5 HA ILE 2 HA ILE 2 5.555 2.801 -0.949 6 HB ILE 2 HB ILE 2 7.640 1.679 -0.848 7 HG12 ILE 2 HG11 ILE 2 7.340 -0.238 -2.367 8 HG13 ILE 2 HG12 ILE 2 7.992 -0.694 -0.777 9 HG21 ILE 2 HG21 ILE 2 7.357 0.563 1.335 10 HG22 ILE 2 HG22 ILE 2 6.309 2.023 1.228 11 HG23 ILE 2 HG23 ILE 2 5.593 0.379 1.067 12 HD11 ILE 2 HD1 ILE 2 5.090 -1.203 -1.721 13 HD12 ILE 2 HD2 ILE 2 6.405 -2.405 -1.514 14 HD13 ILE 2 HD3 ILE 2 5.732 -1.579 -0.074 15 H GLY 3 HN GLY 3 4.665 0.431 -3.315 16 HA2 GLY 3 HA1 GLY 3 6.286 1.165 -5.487 17 HA3 GLY 3 HA2 GLY 3 4.619 0.498 -5.567 18 H GLY 4 HN GLY 4 3.437 2.828 -4.153 19 HA2 GLY 4 HA1 GLY 4 3.115 4.557 -6.447 20 HA3 GLY 4 HA2 GLY 4 2.324 4.665 -4.836 21 H LYS 5 HN LYS 5 5.420 4.473 -3.989 22 HA LYS 5 HA LYS 5 5.971 7.358 -4.337 23 HB2 LYS 5 HB1 LYS 5 5.923 6.397 -2.013 24 HB3 LYS 5 HB2 LYS 5 7.296 5.336 -2.439 25 HG2 LYS 5 HG1 LYS 5 8.737 7.350 -2.826 26 HG3 LYS 5 HG2 LYS 5 7.318 8.422 -2.602 27 HD2 LYS 5 HD1 LYS 5 7.051 7.570 -0.251 28 HD3 LYS 5 HD2 LYS 5 8.536 6.579 -0.451 29 HE2 LYS 5 HE1 LYS 5 9.902 8.671 -0.782 30 HE3 LYS 5 HE2 LYS 5 8.404 9.676 -0.657 31 HZ1 LYS 5 HZ1 LYS 5 8.100 8.854 1.592 32 HZ2 LYS 5 HZ2 LYS 5 9.610 9.598 1.423 33 HZ3 LYS 5 HZ3 LYS 5 9.501 7.909 1.484 34 H ILE 6 HN ILE 6 7.685 4.142 -4.490 35 HA ILE 6 HA ILE 6 9.870 5.326 -5.826 36 HB ILE 6 HB ILE 6 10.823 3.137 -6.096 37 HG12 ILE 6 HG11 ILE 6 8.201 2.055 -4.891 38 HG13 ILE 6 HG12 ILE 6 8.728 1.825 -6.593 39 HG21 ILE 6 HG21 ILE 6 10.947 4.508 -3.967 40 HG22 ILE 6 HG22 ILE 6 9.544 3.574 -3.314 41 HG23 ILE 6 HG23 ILE 6 11.095 2.742 -3.682 42 HD11 ILE 6 HD1 ILE 6 10.169 0.739 -4.087 43 HD12 ILE 6 HD2 ILE 6 9.253 -0.204 -5.311 44 HD13 ILE 6 HD3 ILE 6 10.793 0.608 -5.771 45 H LEU 7 HN LEU 7 7.063 3.541 -7.297 46 HA LEU 7 HA LEU 7 8.420 3.536 -9.842 47 HB2 LEU 7 HB1 LEU 7 5.495 2.940 -9.178 48 HB3 LEU 7 HB2 LEU 7 6.285 2.647 -10.753 49 HG LEU 7 HG LEU 7 7.005 1.287 -8.090 50 HD11 LEU 7 HD11 LEU 7 5.998 -0.748 -9.113 51 HD12 LEU 7 HD12 LEU 7 5.538 0.204 -10.578 52 HD13 LEU 7 HD13 LEU 7 4.800 0.590 -8.982 53 HD21 LEU 7 HD21 LEU 7 8.400 -0.260 -9.502 54 HD22 LEU 7 HD22 LEU 7 9.033 1.420 -9.507 55 HD23 LEU 7 HD23 LEU 7 8.106 0.805 -10.934 56 H SER 8 HN SER 8 6.382 5.753 -8.110 57 HA SER 8 HA SER 8 5.502 7.291 -10.296 58 HB2 SER 8 HB1 SER 8 5.932 8.092 -7.364 59 HB3 SER 8 HB2 SER 8 4.950 9.004 -8.577 60 HG SER 8 HG1 SER 8 3.910 7.332 -7.094 61 H GLY 9 HN GLY 9 8.628 7.053 -8.804 62 HA2 GLY 9 HA1 GLY 9 9.502 9.372 -10.464 63 HA3 GLY 9 HA2 GLY 9 10.473 8.498 -9.234 64 H LEU 10 HN LEU 10 10.191 5.849 -9.930 65 HA LEU 10 HA LEU 10 12.089 5.749 -11.965 66 HB2 LEU 10 HB1 LEU 10 11.899 4.252 -10.012 67 HB3 LEU 10 HB2 LEU 10 10.419 3.515 -10.669 68 HG LEU 10 HG LEU 10 12.591 2.207 -10.799 69 HD11 LEU 10 HD11 LEU 10 12.161 1.131 -12.920 70 HD12 LEU 10 HD12 LEU 10 11.265 2.556 -13.548 71 HD13 LEU 10 HD13 LEU 10 10.583 1.599 -12.164 72 HD21 LEU 10 HD21 LEU 10 14.114 4.059 -11.510 73 HD22 LEU 10 HD22 LEU 10 13.327 4.078 -13.133 74 HD23 LEU 10 HD23 LEU 10 14.222 2.619 -12.585 75 H LYS 11 HN LYS 11 8.591 4.772 -12.223 76 HA LYS 11 HA LYS 11 8.998 3.963 -14.978 77 HB2 LYS 11 HB1 LYS 11 6.521 4.198 -13.201 78 HB3 LYS 11 HB2 LYS 11 6.398 3.850 -14.945 79 HG2 LYS 11 HG1 LYS 11 7.995 2.096 -12.987 80 HG3 LYS 11 HG2 LYS 11 6.282 1.826 -13.467 81 HD2 LYS 11 HD1 LYS 11 7.001 1.806 -15.899 82 HD3 LYS 11 HD2 LYS 11 8.708 1.811 -15.390 83 HE2 LYS 11 HE1 LYS 11 6.606 -0.373 -14.695 84 HE3 LYS 11 HE2 LYS 11 7.831 -0.482 -16.019 85 HZ1 LYS 11 HZ1 LYS 11 9.568 -0.282 -14.357 86 HZ2 LYS 11 HZ2 LYS 11 8.568 -1.615 -14.045 87 HZ3 LYS 11 HZ3 LYS 11 8.414 -0.203 -13.115 88 H THR 12 HN THR 12 7.684 6.793 -13.244 89 HA THR 12 HA THR 12 6.799 8.236 -15.411 90 HB THR 12 HB THR 12 8.181 9.366 -12.934 91 HG1 THR 12 HG1 THR 12 6.291 9.154 -11.988 92 HG21 THR 12 HG21 THR 12 6.534 11.250 -13.308 93 HG22 THR 12 HG22 THR 12 5.946 10.446 -14.804 94 HG23 THR 12 HG23 THR 12 7.629 11.094 -14.724 95 H ALA 13 HN ALA 13 10.199 8.209 -14.040 96 HA ALA 13 HA ALA 13 11.211 9.920 -16.034 97 HB1 ALA 13 HB1 ALA 13 12.400 9.369 -13.909 98 HB2 ALA 13 HB2 ALA 13 12.564 7.660 -14.435 99 HB3 ALA 13 HB3 ALA 13 13.427 8.971 -15.333 100 H LEU 14 HN LEU 14 11.047 6.327 -15.924 101 HA LEU 14 HA LEU 14 12.429 5.849 -18.268 102 HB2 LEU 14 HB1 LEU 14 11.960 4.231 -16.410 103 HB3 LEU 14 HB2 LEU 14 10.242 4.189 -16.897 104 HG LEU 14 HG LEU 14 10.937 3.186 -19.121 105 HD11 LEU 14 HD11 LEU 14 13.743 3.094 -17.831 106 HD12 LEU 14 HD12 LEU 14 13.275 4.038 -19.295 107 HD13 LEU 14 HD13 LEU 14 13.256 2.242 -19.340 108 HD21 LEU 14 HD21 LEU 14 11.905 1.678 -16.616 109 HD22 LEU 14 HD22 LEU 14 11.492 0.936 -18.207 110 HD23 LEU 14 HD23 LEU 14 10.203 1.748 -17.235 111 H LYS 15 HN LYS 15 8.854 6.228 -17.920 112 HA LYS 15 HA LYS 15 8.718 6.507 -20.828 113 HB2 LYS 15 HB1 LYS 15 8.548 3.978 -19.962 114 HB3 LYS 15 HB2 LYS 15 6.908 4.473 -19.471 115 HG2 LYS 15 HG1 LYS 15 6.626 3.445 -21.538 116 HG3 LYS 15 HG2 LYS 15 6.530 5.163 -21.973 117 HD2 LYS 15 HD1 LYS 15 9.097 3.418 -22.272 118 HD3 LYS 15 HD2 LYS 15 7.804 3.523 -23.486 119 HE2 LYS 15 HE1 LYS 15 8.968 5.162 -24.477 120 HE3 LYS 15 HE2 LYS 15 8.285 6.221 -23.189 121 HZ1 LYS 15 HZ1 LYS 15 10.370 5.591 -21.881 122 HZ2 LYS 15 HZ2 LYS 15 10.550 6.588 -23.218 123 HZ3 LYS 15 HZ3 LYS 15 10.977 4.954 -23.326 124 H GLY 16 HN GLY 16 8.085 8.129 -18.258 125 HA2 GLY 16 HA1 GLY 16 5.599 9.231 -19.456 126 HA3 GLY 16 HA2 GLY 16 6.281 9.621 -17.829 127 H ALA 17 HN ALA 17 8.426 10.641 -17.798 128 HA ALA 17 HA ALA 17 8.619 12.868 -19.477 129 HB1 ALA 17 HB1 ALA 17 9.556 12.737 -17.152 130 HB2 ALA 17 HB2 ALA 17 10.761 11.519 -17.710 131 HB3 ALA 17 HB3 ALA 17 10.829 13.213 -18.331 132 H ALA 18 HN ALA 18 10.481 9.760 -19.603 133 HA ALA 18 HA ALA 18 11.632 10.568 -22.142 134 HB1 ALA 18 HB1 ALA 18 12.988 9.339 -20.473 135 HB2 ALA 18 HB2 ALA 18 11.864 7.946 -20.577 136 HB3 ALA 18 HB3 ALA 18 12.853 8.428 -22.017 137 H LYS 19 HN LYS 19 8.495 9.856 -21.697 138 HA LYS 19 HA LYS 19 8.448 8.587 -24.364 139 HB2 LYS 19 HB1 LYS 19 6.684 7.766 -22.648 140 HB3 LYS 19 HB2 LYS 19 6.007 9.406 -22.714 141 HG2 LYS 19 HG1 LYS 19 6.336 8.566 -25.485 142 HG3 LYS 19 HG2 LYS 19 5.769 7.134 -24.600 143 HD2 LYS 19 HD1 LYS 19 3.673 7.892 -24.744 144 HD3 LYS 19 HD2 LYS 19 4.075 9.236 -23.650 145 HE2 LYS 19 HE1 LYS 19 4.288 9.279 -26.746 146 HE3 LYS 19 HE2 LYS 19 2.951 10.003 -25.768 147 HZ1 LYS 19 HZ1 LYS 19 4.460 11.573 -24.850 148 HZ2 LYS 19 HZ2 LYS 19 4.724 11.584 -26.507 149 HZ3 LYS 19 HZ3 LYS 19 5.801 10.806 -25.479 150 H GLU 20 HN GLU 20 7.505 11.554 -22.462 151 HA GLU 20 HA GLU 20 6.765 12.970 -24.743 152 HB2 GLU 20 HB1 GLU 20 7.715 14.197 -22.115 153 HB3 GLU 20 HB2 GLU 20 6.698 14.940 -23.397 154 HG2 GLU 20 HG1 GLU 20 5.916 12.822 -21.334 155 HG3 GLU 20 HG2 GLU 20 5.069 14.345 -21.792 156 H LEU 21 HN LEU 21 9.952 13.012 -23.088 157 HA LEU 21 HA LEU 21 11.181 14.802 -24.838 158 HB2 LEU 21 HB1 LEU 21 12.055 14.035 -22.607 159 HB3 LEU 21 HB2 LEU 21 12.362 12.416 -23.298 160 HG LEU 21 HG LEU 21 14.049 13.429 -24.874 161 HD11 LEU 21 HD11 LEU 21 13.512 16.031 -23.300 162 HD12 LEU 21 HD12 LEU 21 13.201 15.753 -25.058 163 HD13 LEU 21 HD13 LEU 21 14.885 15.754 -24.436 164 HD21 LEU 21 HD21 LEU 21 14.750 12.448 -22.690 165 HD22 LEU 21 HD22 LEU 21 14.516 14.051 -21.890 166 HD23 LEU 21 HD23 LEU 21 15.792 13.846 -23.147 167 H ALA 22 HN ALA 22 10.485 11.382 -25.247 168 HA ALA 22 HA ALA 22 12.176 11.200 -27.643 169 HB1 ALA 22 HB1 ALA 22 12.288 9.401 -25.899 170 HB2 ALA 22 HB2 ALA 22 10.516 9.124 -26.082 171 HB3 ALA 22 HB3 ALA 22 11.635 8.754 -27.448 172 H SER 23 HN SER 23 9.144 12.426 -27.131 173 HA SER 23 HA SER 23 7.455 10.682 -28.436 174 HB2 SER 23 HB1 SER 23 6.894 12.730 -26.901 175 HB3 SER 23 HB2 SER 23 6.836 13.683 -28.408 176 HG SER 23 HG1 SER 23 5.239 12.213 -29.145 177 H THR 24 HN THR 24 9.207 13.442 -29.894 178 HA THR 24 HA THR 24 7.845 13.059 -32.413 179 HB THR 24 HB THR 24 10.247 14.883 -32.048 180 HG1 THR 24 HG1 THR 24 8.841 16.398 -31.177 181 HG21 THR 24 HG21 THR 24 7.456 15.186 -33.384 182 HG22 THR 24 HG22 THR 24 8.972 14.773 -34.263 183 HG23 THR 24 HG23 THR 24 8.803 16.381 -33.478 184 H TYR 25 HN TYR 25 10.231 11.329 -31.003 185 HA TYR 25 HA TYR 25 11.875 11.086 -33.479 186 HB2 TYR 25 HB1 TYR 25 12.779 10.726 -30.545 187 HB3 TYR 25 HB2 TYR 25 13.836 10.707 -32.013 188 HD1 TYR 25 HD1 TYR 25 13.602 12.881 -33.547 189 HD2 TYR 25 HD2 TYR 25 12.577 12.736 -29.373 190 HE1 TYR 25 HE1 TYR 25 13.769 15.342 -33.419 191 HE2 TYR 25 HE2 TYR 25 12.739 15.199 -29.249 192 HH TYR 25 HH TYR 25 13.628 17.158 -32.101 193 H LEU 26 HN LEU 26 10.513 9.327 -30.657 194 HA LEU 26 HA LEU 26 10.953 6.787 -32.113 195 HB2 LEU 26 HB1 LEU 26 10.528 7.507 -29.158 196 HB3 LEU 26 HB2 LEU 26 10.300 5.837 -29.764 197 HG LEU 26 HG LEU 26 12.433 6.045 -28.682 198 HD11 LEU 26 HD11 LEU 26 12.156 4.444 -30.598 199 HD12 LEU 26 HD12 LEU 26 13.860 5.009 -30.403 200 HD13 LEU 26 HD13 LEU 26 12.836 5.685 -31.715 201 HD21 LEU 26 HD21 LEU 26 14.325 7.358 -29.470 202 HD22 LEU 26 HD22 LEU 26 12.945 8.488 -29.177 203 HD23 LEU 26 HD23 LEU 26 13.383 7.996 -30.857 204 H HIS 27 HN HIS 27 8.647 9.139 -31.791 205 HA HIS 27 HA HIS 27 6.482 9.271 -32.038 206 HB2 HIS 27 HB1 HIS 27 6.903 6.826 -33.814 207 HB3 HIS 27 HB2 HIS 27 5.644 8.116 -34.011 208 HD2 HIS 27 HD2 HIS 27 9.260 7.369 -35.144 209 HE1 HIS 27 HE1 HIS 27 8.778 11.580 -35.290 210 HE2 HIS 27 HE2 HIS 27 10.300 9.618 -35.871 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 1.583 -1.187 -0.267 2 HA2 GLY 1 HA1 GLY 1 1.162 0.796 -1.747 3 HA3 GLY 1 HA2 GLY 1 1.565 1.234 -0.036 4 H ILE 2 HN ILE 2 4.315 0.221 -0.566 5 HA ILE 2 HA ILE 2 5.543 2.671 -0.942 6 HB ILE 2 HB ILE 2 7.660 1.607 -0.841 7 HG12 ILE 2 HG11 ILE 2 7.423 -0.301 -2.381 8 HG13 ILE 2 HG12 ILE 2 8.079 -0.755 -0.793 9 HG21 ILE 2 HG21 ILE 2 6.310 1.892 1.231 10 HG22 ILE 2 HG22 ILE 2 5.641 0.229 1.050 11 HG23 ILE 2 HG23 ILE 2 7.398 0.461 1.328 12 HD11 ILE 2 HD1 ILE 2 5.197 -1.337 -1.757 13 HD12 ILE 2 HD2 ILE 2 6.545 -2.503 -1.556 14 HD13 ILE 2 HD3 ILE 2 5.842 -1.711 -0.111 15 H GLY 3 HN GLY 3 4.736 0.299 -3.335 16 HA2 GLY 3 HA1 GLY 3 6.345 1.102 -5.491 17 HA3 GLY 3 HA2 GLY 3 4.700 0.386 -5.587 18 H GLY 4 HN GLY 4 3.441 2.668 -4.158 19 HA2 GLY 4 HA1 GLY 4 3.082 4.407 -6.439 20 HA3 GLY 4 HA2 GLY 4 2.277 4.477 -4.833 21 H LYS 5 HN LYS 5 5.370 4.370 -3.963 22 HA LYS 5 HA LYS 5 5.836 7.274 -4.278 23 HB2 LYS 5 HB1 LYS 5 5.807 6.287 -1.965 24 HB3 LYS 5 HB2 LYS 5 7.212 5.271 -2.396 25 HG2 LYS 5 HG1 LYS 5 8.596 7.329 -2.755 26 HG3 LYS 5 HG2 LYS 5 7.146 8.357 -2.524 27 HD2 LYS 5 HD1 LYS 5 6.895 7.471 -0.184 28 HD3 LYS 5 HD2 LYS 5 8.407 6.524 -0.390 29 HE2 LYS 5 HE1 LYS 5 9.716 8.657 -0.692 30 HE3 LYS 5 HE2 LYS 5 8.190 9.619 -0.560 31 HZ1 LYS 5 HZ1 LYS 5 9.329 7.858 1.564 32 HZ2 LYS 5 HZ2 LYS 5 7.902 8.762 1.678 33 HZ3 LYS 5 HZ3 LYS 5 9.391 9.550 1.523 34 H ILE 6 HN ILE 6 7.650 4.115 -4.455 35 HA ILE 6 HA ILE 6 9.803 5.379 -5.768 36 HB ILE 6 HB ILE 6 10.823 3.222 -6.058 37 HG12 ILE 6 HG11 ILE 6 8.230 2.048 -4.877 38 HG13 ILE 6 HG12 ILE 6 8.770 1.854 -6.580 39 HG21 ILE 6 HG21 ILE 6 9.520 3.589 -3.277 40 HG22 ILE 6 HG22 ILE 6 11.097 2.808 -3.649 41 HG23 ILE 6 HG23 ILE 6 10.897 4.572 -3.914 42 HD11 ILE 6 HD1 ILE 6 10.234 0.783 -4.081 43 HD12 ILE 6 HD2 ILE 6 9.351 -0.173 -5.319 44 HD13 ILE 6 HD3 ILE 6 10.868 0.691 -5.764 45 H LEU 7 HN LEU 7 7.058 3.527 -7.272 46 HA LEU 7 HA LEU 7 8.430 3.592 -9.808 47 HB2 LEU 7 HB1 LEU 7 5.525 2.884 -9.170 48 HB3 LEU 7 HB2 LEU 7 6.335 2.640 -10.744 49 HG LEU 7 HG LEU 7 7.072 1.270 -8.091 50 HD11 LEU 7 HD11 LEU 7 6.169 -0.787 -9.167 51 HD12 LEU 7 HD12 LEU 7 5.695 0.172 -10.624 52 HD13 LEU 7 HD13 LEU 7 4.916 0.498 -9.035 53 HD21 LEU 7 HD21 LEU 7 8.258 0.892 -10.917 54 HD22 LEU 7 HD22 LEU 7 8.553 -0.201 -9.503 55 HD23 LEU 7 HD23 LEU 7 9.122 1.501 -9.450 56 H SER 8 HN SER 8 6.319 5.734 -8.071 57 HA SER 8 HA SER 8 5.392 7.245 -10.256 58 HB2 SER 8 HB1 SER 8 5.789 8.052 -7.321 59 HB3 SER 8 HB2 SER 8 4.781 8.935 -8.534 60 HG SER 8 HG1 SER 8 3.795 7.221 -7.057 61 H GLY 9 HN GLY 9 8.518 7.114 -8.746 62 HA2 GLY 9 HA1 GLY 9 9.325 9.462 -10.399 63 HA3 GLY 9 HA2 GLY 9 10.315 8.618 -9.164 64 H LEU 10 HN LEU 10 10.118 5.961 -9.867 65 HA LEU 10 HA LEU 10 12.033 5.923 -11.887 66 HB2 LEU 10 HB1 LEU 10 11.871 4.406 -9.947 67 HB3 LEU 10 HB2 LEU 10 10.418 3.632 -10.622 68 HG LEU 10 HG LEU 10 12.626 2.387 -10.747 69 HD11 LEU 10 HD11 LEU 10 10.646 1.739 -12.139 70 HD12 LEU 10 HD12 LEU 10 12.244 1.320 -12.882 71 HD13 LEU 10 HD13 LEU 10 11.317 2.726 -13.506 72 HD21 LEU 10 HD21 LEU 10 13.330 4.301 -13.056 73 HD22 LEU 10 HD22 LEU 10 14.259 2.862 -12.514 74 HD23 LEU 10 HD23 LEU 10 14.104 4.287 -11.426 75 H LYS 11 HN LYS 11 8.563 4.853 -12.183 76 HA LYS 11 HA LYS 11 9.012 4.059 -14.932 77 HB2 LYS 11 HB1 LYS 11 6.496 4.295 -13.206 78 HB3 LYS 11 HB2 LYS 11 6.418 3.923 -14.947 79 HG2 LYS 11 HG1 LYS 11 7.954 2.200 -12.912 80 HG3 LYS 11 HG2 LYS 11 6.265 1.920 -13.466 81 HD2 LYS 11 HD1 LYS 11 7.125 1.905 -15.872 82 HD3 LYS 11 HD2 LYS 11 8.793 1.859 -15.249 83 HE2 LYS 11 HE1 LYS 11 6.573 -0.256 -14.722 84 HE3 LYS 11 HE2 LYS 11 7.906 -0.409 -15.933 85 HZ1 LYS 11 HZ1 LYS 11 9.493 -0.261 -14.119 86 HZ2 LYS 11 HZ2 LYS 11 8.426 -1.560 -13.900 87 HZ3 LYS 11 HZ3 LYS 11 8.233 -0.142 -12.987 88 H THR 12 HN THR 12 7.627 6.875 -13.228 89 HA THR 12 HA THR 12 6.743 8.295 -15.406 90 HB THR 12 HB THR 12 8.066 9.456 -12.910 91 HG1 THR 12 HG1 THR 12 6.180 9.170 -11.973 92 HG21 THR 12 HG21 THR 12 7.475 11.169 -14.702 93 HG22 THR 12 HG22 THR 12 6.366 11.290 -13.292 94 HG23 THR 12 HG23 THR 12 5.812 10.471 -14.794 95 H ALA 13 HN ALA 13 10.119 8.349 -13.984 96 HA ALA 13 HA ALA 13 11.115 10.074 -15.986 97 HB1 ALA 13 HB1 ALA 13 12.279 9.600 -13.828 98 HB2 ALA 13 HB2 ALA 13 12.506 7.887 -14.318 99 HB3 ALA 13 HB3 ALA 13 13.345 9.207 -15.224 100 H LEU 14 HN LEU 14 11.080 6.475 -15.808 101 HA LEU 14 HA LEU 14 12.537 6.016 -18.110 102 HB2 LEU 14 HB1 LEU 14 12.116 4.414 -16.235 103 HB3 LEU 14 HB2 LEU 14 10.407 4.286 -16.736 104 HG LEU 14 HG LEU 14 11.164 3.258 -18.925 105 HD11 LEU 14 HD11 LEU 14 13.460 4.217 -19.109 106 HD12 LEU 14 HD12 LEU 14 13.528 2.421 -19.109 107 HD13 LEU 14 HD13 LEU 14 13.964 3.334 -17.620 108 HD21 LEU 14 HD21 LEU 14 12.192 1.864 -16.377 109 HD22 LEU 14 HD22 LEU 14 11.817 1.061 -17.947 110 HD23 LEU 14 HD23 LEU 14 10.491 1.840 -16.998 111 H LYS 15 HN LYS 15 8.948 6.248 -17.848 112 HA LYS 15 HA LYS 15 8.852 6.429 -20.764 113 HB2 LYS 15 HB1 LYS 15 8.758 3.923 -19.815 114 HB3 LYS 15 HB2 LYS 15 7.095 4.378 -19.364 115 HG2 LYS 15 HG1 LYS 15 6.861 3.284 -21.397 116 HG3 LYS 15 HG2 LYS 15 6.747 4.983 -21.899 117 HD2 LYS 15 HD1 LYS 15 9.345 3.267 -22.084 118 HD3 LYS 15 HD2 LYS 15 8.075 3.309 -23.325 119 HE2 LYS 15 HE1 LYS 15 9.249 4.920 -24.352 120 HE3 LYS 15 HE2 LYS 15 8.505 6.017 -23.132 121 HZ1 LYS 15 HZ1 LYS 15 11.230 4.811 -23.137 122 HZ2 LYS 15 HZ2 LYS 15 10.563 5.489 -21.737 123 HZ3 LYS 15 HZ3 LYS 15 10.758 6.436 -23.100 124 H GLY 16 HN GLY 16 8.153 8.101 -18.256 125 HA2 GLY 16 HA1 GLY 16 5.638 9.091 -19.486 126 HA3 GLY 16 HA2 GLY 16 6.310 9.557 -17.875 127 H ALA 17 HN ALA 17 8.395 10.677 -17.870 128 HA ALA 17 HA ALA 17 8.523 12.816 -19.672 129 HB1 ALA 17 HB1 ALA 17 10.693 13.324 -18.509 130 HB2 ALA 17 HB2 ALA 17 9.416 12.864 -17.328 131 HB3 ALA 17 HB3 ALA 17 10.682 11.667 -17.788 132 H ALA 18 HN ALA 18 10.546 9.807 -19.570 133 HA ALA 18 HA ALA 18 11.705 10.518 -22.134 134 HB1 ALA 18 HB1 ALA 18 12.046 8.005 -20.413 135 HB2 ALA 18 HB2 ALA 18 13.041 8.465 -21.853 136 HB3 ALA 18 HB3 ALA 18 13.089 9.464 -20.359 137 H LYS 19 HN LYS 19 8.611 9.679 -21.682 138 HA LYS 19 HA LYS 19 8.662 8.231 -24.257 139 HB2 LYS 19 HB1 LYS 19 6.794 7.498 -22.653 140 HB3 LYS 19 HB2 LYS 19 6.206 9.179 -22.704 141 HG2 LYS 19 HG1 LYS 19 6.241 8.820 -25.364 142 HG3 LYS 19 HG2 LYS 19 6.275 7.090 -24.970 143 HD2 LYS 19 HD1 LYS 19 4.051 7.089 -24.304 144 HD3 LYS 19 HD2 LYS 19 4.222 8.620 -23.410 145 HE2 LYS 19 HE1 LYS 19 3.803 8.406 -26.468 146 HE3 LYS 19 HE2 LYS 19 2.583 8.898 -25.221 147 HZ1 LYS 19 HZ1 LYS 19 4.992 10.370 -26.135 148 HZ2 LYS 19 HZ2 LYS 19 4.322 10.645 -24.611 149 HZ3 LYS 19 HZ3 LYS 19 3.417 10.945 -25.939 150 H GLU 20 HN GLU 20 7.328 11.257 -22.677 151 HA GLU 20 HA GLU 20 6.677 12.434 -25.038 152 HB2 GLU 20 HB1 GLU 20 7.532 13.995 -22.546 153 HB3 GLU 20 HB2 GLU 20 6.441 14.524 -23.871 154 HG2 GLU 20 HG1 GLU 20 5.868 12.516 -21.622 155 HG3 GLU 20 HG2 GLU 20 4.943 13.986 -22.100 156 H LEU 21 HN LEU 21 9.837 12.843 -23.377 157 HA LEU 21 HA LEU 21 10.819 14.672 -25.314 158 HB2 LEU 21 HB1 LEU 21 11.548 13.857 -22.804 159 HB3 LEU 21 HB2 LEU 21 12.757 12.949 -23.748 160 HG LEU 21 HG LEU 21 12.245 15.992 -23.841 161 HD11 LEU 21 HD11 LEU 21 14.492 14.398 -22.455 162 HD12 LEU 21 HD12 LEU 21 13.113 15.226 -21.631 163 HD13 LEU 21 HD13 LEU 21 14.347 16.195 -22.522 164 HD21 LEU 21 HD21 LEU 21 14.523 14.333 -25.099 165 HD22 LEU 21 HD22 LEU 21 14.505 16.132 -24.964 166 HD23 LEU 21 HD23 LEU 21 13.276 15.297 -25.971 167 H ALA 22 HN ALA 22 10.330 11.255 -25.483 168 HA ALA 22 HA ALA 22 12.305 10.952 -27.659 169 HB1 ALA 22 HB1 ALA 22 12.380 9.268 -25.803 170 HB2 ALA 22 HB2 ALA 22 10.644 8.883 -26.099 171 HB3 ALA 22 HB3 ALA 22 11.882 8.510 -27.362 172 H SER 23 HN SER 23 8.946 11.641 -27.191 173 HA SER 23 HA SER 23 7.943 10.024 -29.300 174 HB2 SER 23 HB1 SER 23 6.738 12.224 -27.600 175 HB3 SER 23 HB2 SER 23 5.894 11.754 -29.113 176 HG SER 23 HG1 SER 23 5.872 9.637 -28.428 177 H THR 24 HN THR 24 9.533 13.138 -29.427 178 HA THR 24 HA THR 24 8.701 13.918 -31.964 179 HB THR 24 HB THR 24 11.580 14.061 -30.941 180 HG1 THR 24 HG1 THR 24 10.921 15.940 -29.926 181 HG21 THR 24 HG21 THR 24 9.804 15.979 -32.619 182 HG22 THR 24 HG22 THR 24 11.123 14.947 -33.284 183 HG23 THR 24 HG23 THR 24 11.518 16.280 -32.144 184 H TYR 25 HN TYR 25 10.952 11.362 -30.968 185 HA TYR 25 HA TYR 25 11.823 10.991 -33.776 186 HB2 TYR 25 HB1 TYR 25 13.190 10.043 -31.177 187 HB3 TYR 25 HB2 TYR 25 13.909 10.085 -32.834 188 HD1 TYR 25 HD1 TYR 25 13.830 12.522 -33.967 189 HD2 TYR 25 HD2 TYR 25 13.673 11.786 -29.734 190 HE1 TYR 25 HE1 TYR 25 14.565 14.842 -33.537 191 HE2 TYR 25 HE2 TYR 25 14.403 14.114 -29.305 192 HH TYR 25 HH TYR 25 15.117 16.368 -31.978 193 H LEU 26 HN LEU 26 10.572 9.249 -30.916 194 HA LEU 26 HA LEU 26 10.482 6.731 -32.452 195 HB2 LEU 26 HB1 LEU 26 10.393 7.408 -29.454 196 HB3 LEU 26 HB2 LEU 26 9.919 5.804 -30.088 197 HG LEU 26 HG LEU 26 12.180 5.478 -31.065 198 HD11 LEU 26 HD11 LEU 26 14.100 6.819 -30.075 199 HD12 LEU 26 HD12 LEU 26 12.898 8.037 -29.495 200 HD13 LEU 26 HD13 LEU 26 13.111 7.726 -31.264 201 HD21 LEU 26 HD21 LEU 26 13.230 4.907 -28.881 202 HD22 LEU 26 HD22 LEU 26 11.473 4.498 -28.888 203 HD23 LEU 26 HD23 LEU 26 12.054 5.978 -28.024 204 H HIS 27 HN HIS 27 8.496 9.332 -32.004 205 HA HIS 27 HA HIS 27 6.340 9.700 -32.042 206 HB2 HIS 27 HB1 HIS 27 6.299 7.096 -33.627 207 HB3 HIS 27 HB2 HIS 27 5.116 8.468 -33.758 208 HD2 HIS 27 HD2 HIS 27 8.631 7.450 -35.133 209 HE1 HIS 27 HE1 HIS 27 8.331 11.669 -35.432 210 HE2 HIS 27 HE2 HIS 27 9.753 9.615 -35.963 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 1.509 -0.751 0.050 2 HA2 GLY 1 HA1 GLY 1 1.093 1.161 -1.549 3 HA3 GLY 1 HA2 GLY 1 1.559 1.664 0.127 4 H ILE 2 HN ILE 2 4.257 0.573 -0.372 5 HA ILE 2 HA ILE 2 5.537 2.957 -0.911 6 HB ILE 2 HB ILE 2 7.628 1.850 -0.767 7 HG12 ILE 2 HG11 ILE 2 7.328 -0.145 -2.182 8 HG13 ILE 2 HG12 ILE 2 7.989 -0.513 -0.574 9 HG21 ILE 2 HG21 ILE 2 6.310 2.300 1.293 10 HG22 ILE 2 HG22 ILE 2 5.595 0.648 1.225 11 HG23 ILE 2 HG23 ILE 2 7.360 0.851 1.471 12 HD11 ILE 2 HD1 ILE 2 5.084 -1.084 -1.472 13 HD12 ILE 2 HD2 ILE 2 6.405 -2.268 -1.209 14 HD13 ILE 2 HD3 ILE 2 5.738 -1.368 0.189 15 H GLY 3 HN GLY 3 4.686 0.447 -3.169 16 HA2 GLY 3 HA1 GLY 3 6.302 1.136 -5.362 17 HA3 GLY 3 HA2 GLY 3 4.657 0.416 -5.426 18 H GLY 4 HN GLY 4 3.368 2.753 -4.144 19 HA2 GLY 4 HA1 GLY 4 3.072 4.406 -6.506 20 HA3 GLY 4 HA2 GLY 4 2.208 4.524 -4.933 21 H LYS 5 HN LYS 5 5.252 4.444 -3.932 22 HA LYS 5 HA LYS 5 5.679 7.348 -4.180 23 HB2 LYS 5 HB1 LYS 5 5.660 5.958 -1.955 24 HB3 LYS 5 HB2 LYS 5 7.283 5.408 -2.423 25 HG2 LYS 5 HG1 LYS 5 6.337 8.326 -2.000 26 HG3 LYS 5 HG2 LYS 5 7.217 7.315 -0.807 27 HD2 LYS 5 HD1 LYS 5 9.142 7.128 -2.484 28 HD3 LYS 5 HD2 LYS 5 8.342 8.375 -3.477 29 HE2 LYS 5 HE1 LYS 5 9.348 8.685 -0.555 30 HE3 LYS 5 HE2 LYS 5 10.125 9.373 -2.035 31 HZ1 LYS 5 HZ1 LYS 5 8.120 10.676 -2.404 32 HZ2 LYS 5 HZ2 LYS 5 8.784 11.003 -0.876 33 HZ3 LYS 5 HZ3 LYS 5 7.405 10.027 -1.012 34 H ILE 6 HN ILE 6 7.515 4.221 -4.497 35 HA ILE 6 HA ILE 6 9.667 5.554 -5.777 36 HB ILE 6 HB ILE 6 10.742 3.425 -6.046 37 HG12 ILE 6 HG11 ILE 6 8.174 2.190 -4.871 38 HG13 ILE 6 HG12 ILE 6 8.736 1.993 -6.566 39 HG21 ILE 6 HG21 ILE 6 10.773 4.791 -3.909 40 HG22 ILE 6 HG22 ILE 6 9.421 3.774 -3.271 41 HG23 ILE 6 HG23 ILE 6 11.019 3.035 -3.632 42 HD11 ILE 6 HD1 ILE 6 10.858 0.898 -5.716 43 HD12 ILE 6 HD2 ILE 6 10.202 0.988 -4.041 44 HD13 ILE 6 HD3 ILE 6 9.361 -0.003 -5.280 45 H LEU 7 HN LEU 7 6.983 3.591 -7.268 46 HA LEU 7 HA LEU 7 8.372 3.624 -9.784 47 HB2 LEU 7 HB1 LEU 7 5.467 2.906 -9.154 48 HB3 LEU 7 HB2 LEU 7 6.285 2.631 -10.719 49 HG LEU 7 HG LEU 7 7.045 1.339 -8.033 50 HD11 LEU 7 HD11 LEU 7 5.648 0.160 -10.517 51 HD12 LEU 7 HD12 LEU 7 4.883 0.528 -8.930 52 HD13 LEU 7 HD13 LEU 7 6.144 -0.753 -9.039 53 HD21 LEU 7 HD21 LEU 7 8.193 0.879 -10.863 54 HD22 LEU 7 HD22 LEU 7 8.520 -0.159 -9.418 55 HD23 LEU 7 HD23 LEU 7 9.077 1.547 -9.433 56 H SER 8 HN SER 8 6.176 5.763 -8.160 57 HA SER 8 HA SER 8 5.308 7.252 -10.374 58 HB2 SER 8 HB1 SER 8 5.666 8.100 -7.444 59 HB3 SER 8 HB2 SER 8 4.663 8.958 -8.680 60 HG SER 8 HG1 SER 8 3.695 7.237 -7.176 61 H GLY 9 HN GLY 9 8.418 7.121 -8.846 62 HA2 GLY 9 HA1 GLY 9 9.240 9.468 -10.493 63 HA3 GLY 9 HA2 GLY 9 10.213 8.648 -9.227 64 H LEU 10 HN LEU 10 10.041 5.984 -9.890 65 HA LEU 10 HA LEU 10 11.996 5.920 -11.870 66 HB2 LEU 10 HB1 LEU 10 11.797 4.442 -9.900 67 HB3 LEU 10 HB2 LEU 10 10.366 3.643 -10.597 68 HG LEU 10 HG LEU 10 12.586 2.413 -10.641 69 HD11 LEU 10 HD11 LEU 10 12.267 1.303 -12.764 70 HD12 LEU 10 HD12 LEU 10 11.345 2.689 -13.437 71 HD13 LEU 10 HD13 LEU 10 10.649 1.721 -12.069 72 HD21 LEU 10 HD21 LEU 10 14.260 2.867 -12.374 73 HD22 LEU 10 HD22 LEU 10 14.067 4.311 -11.319 74 HD23 LEU 10 HD23 LEU 10 13.334 4.287 -12.968 75 H LYS 11 HN LYS 11 8.545 4.807 -12.212 76 HA LYS 11 HA LYS 11 9.047 3.985 -14.944 77 HB2 LYS 11 HB1 LYS 11 6.522 4.191 -13.231 78 HB3 LYS 11 HB2 LYS 11 6.436 3.849 -14.978 79 HG2 LYS 11 HG1 LYS 11 8.007 2.097 -12.997 80 HG3 LYS 11 HG2 LYS 11 6.307 1.820 -13.521 81 HD2 LYS 11 HD1 LYS 11 7.109 1.853 -15.943 82 HD3 LYS 11 HD2 LYS 11 8.793 1.808 -15.364 83 HE2 LYS 11 HE1 LYS 11 6.606 -0.334 -14.811 84 HE3 LYS 11 HE2 LYS 11 7.895 -0.451 -16.072 85 HZ1 LYS 11 HZ1 LYS 11 8.493 -1.642 -14.083 86 HZ2 LYS 11 HZ2 LYS 11 8.334 -0.241 -13.137 87 HZ3 LYS 11 HZ3 LYS 11 9.547 -0.335 -14.320 88 H THR 12 HN THR 12 7.606 6.800 -13.290 89 HA THR 12 HA THR 12 6.741 8.191 -15.494 90 HB THR 12 HB THR 12 8.020 9.395 -12.996 91 HG1 THR 12 HG1 THR 12 6.112 9.126 -12.088 92 HG21 THR 12 HG21 THR 12 5.781 10.364 -14.922 93 HG22 THR 12 HG22 THR 12 7.436 11.079 -14.819 94 HG23 THR 12 HG23 THR 12 6.309 11.209 -13.425 95 H ALA 13 HN ALA 13 10.096 8.297 -14.025 96 HA ALA 13 HA ALA 13 11.104 10.027 -16.008 97 HB1 ALA 13 HB1 ALA 13 12.493 7.847 -14.329 98 HB2 ALA 13 HB2 ALA 13 13.331 9.179 -15.218 99 HB3 ALA 13 HB3 ALA 13 12.242 9.556 -13.835 100 H LEU 14 HN LEU 14 11.086 6.429 -15.848 101 HA LEU 14 HA LEU 14 12.577 5.984 -18.133 102 HB2 LEU 14 HB1 LEU 14 12.117 4.369 -16.274 103 HB3 LEU 14 HB2 LEU 14 10.416 4.253 -16.807 104 HG LEU 14 HG LEU 14 11.209 3.244 -18.993 105 HD11 LEU 14 HD11 LEU 14 13.569 2.392 -19.140 106 HD12 LEU 14 HD12 LEU 14 13.983 3.286 -17.633 107 HD13 LEU 14 HD13 LEU 14 13.514 4.188 -19.123 108 HD21 LEU 14 HD21 LEU 14 11.827 1.033 -18.028 109 HD22 LEU 14 HD22 LEU 14 10.487 1.810 -17.097 110 HD23 LEU 14 HD23 LEU 14 12.176 1.815 -16.441 111 H LYS 15 HN LYS 15 8.977 6.189 -17.916 112 HA LYS 15 HA LYS 15 8.929 6.444 -20.826 113 HB2 LYS 15 HB1 LYS 15 8.867 3.909 -19.959 114 HB3 LYS 15 HB2 LYS 15 7.183 4.314 -19.536 115 HG2 LYS 15 HG1 LYS 15 7.046 3.272 -21.614 116 HG3 LYS 15 HG2 LYS 15 6.871 4.984 -22.052 117 HD2 LYS 15 HD1 LYS 15 9.545 3.391 -22.237 118 HD3 LYS 15 HD2 LYS 15 8.305 3.422 -23.510 119 HE2 LYS 15 HE1 LYS 15 9.374 5.148 -24.451 120 HE3 LYS 15 HE2 LYS 15 8.632 6.153 -23.153 121 HZ1 LYS 15 HZ1 LYS 15 10.713 5.610 -21.826 122 HZ2 LYS 15 HZ2 LYS 15 10.884 6.608 -23.163 123 HZ3 LYS 15 HZ3 LYS 15 11.373 4.990 -23.257 124 H GLY 16 HN GLY 16 8.143 8.055 -18.317 125 HA2 GLY 16 HA1 GLY 16 5.629 9.000 -19.589 126 HA3 GLY 16 HA2 GLY 16 6.245 9.451 -17.952 127 H ALA 17 HN ALA 17 8.319 10.590 -17.876 128 HA ALA 17 HA ALA 17 8.439 12.800 -19.585 129 HB1 ALA 17 HB1 ALA 17 10.583 11.610 -17.710 130 HB2 ALA 17 HB2 ALA 17 10.578 13.295 -18.360 131 HB3 ALA 17 HB3 ALA 17 9.288 12.765 -17.224 132 H ALA 18 HN ALA 18 10.489 9.808 -19.585 133 HA ALA 18 HA ALA 18 11.698 10.657 -22.084 134 HB1 ALA 18 HB1 ALA 18 13.049 9.521 -20.337 135 HB2 ALA 18 HB2 ALA 18 12.015 8.062 -20.484 136 HB3 ALA 18 HB3 ALA 18 13.039 8.597 -21.879 137 H LYS 19 HN LYS 19 8.601 9.773 -21.756 138 HA LYS 19 HA LYS 19 8.711 8.454 -24.391 139 HB2 LYS 19 HB1 LYS 19 6.901 7.845 -22.541 140 HB3 LYS 19 HB2 LYS 19 6.107 9.335 -23.060 141 HG2 LYS 19 HG1 LYS 19 6.869 6.878 -24.773 142 HG3 LYS 19 HG2 LYS 19 5.238 7.237 -24.149 143 HD2 LYS 19 HD1 LYS 19 6.669 9.005 -26.269 144 HD3 LYS 19 HD2 LYS 19 5.702 7.566 -26.617 145 HE2 LYS 19 HE1 LYS 19 4.035 9.026 -26.959 146 HE3 LYS 19 HE2 LYS 19 3.776 8.809 -25.184 147 HZ1 LYS 19 HZ1 LYS 19 3.808 11.169 -25.903 148 HZ2 LYS 19 HZ2 LYS 19 5.390 11.004 -26.434 149 HZ3 LYS 19 HZ3 LYS 19 4.925 10.839 -24.792 150 H GLU 20 HN GLU 20 7.383 11.388 -22.665 151 HA GLU 20 HA GLU 20 6.809 12.757 -24.960 152 HB2 GLU 20 HB1 GLU 20 7.568 14.085 -22.313 153 HB3 GLU 20 HB2 GLU 20 6.539 14.732 -23.636 154 HG2 GLU 20 HG1 GLU 20 5.858 12.567 -21.576 155 HG3 GLU 20 HG2 GLU 20 4.939 14.055 -22.015 156 H LEU 21 HN LEU 21 9.881 13.046 -23.116 157 HA LEU 21 HA LEU 21 11.050 14.996 -24.733 158 HB2 LEU 21 HB1 LEU 21 11.760 14.304 -22.463 159 HB3 LEU 21 HB2 LEU 21 12.340 12.736 -23.081 160 HG LEU 21 HG LEU 21 13.469 15.305 -24.278 161 HD11 LEU 21 HD11 LEU 21 15.144 15.479 -22.439 162 HD12 LEU 21 HD12 LEU 21 14.299 14.169 -21.532 163 HD13 LEU 21 HD13 LEU 21 13.470 15.747 -21.828 164 HD21 LEU 21 HD21 LEU 21 15.594 13.971 -24.326 165 HD22 LEU 21 HD22 LEU 21 14.281 13.116 -25.199 166 HD23 LEU 21 HD23 LEU 21 14.752 12.586 -23.538 167 H ALA 22 HN ALA 22 10.807 11.509 -25.229 168 HA ALA 22 HA ALA 22 12.689 11.624 -27.488 169 HB1 ALA 22 HB1 ALA 22 11.330 9.283 -26.013 170 HB2 ALA 22 HB2 ALA 22 12.609 9.131 -27.278 171 HB3 ALA 22 HB3 ALA 22 12.998 9.891 -25.694 172 H SER 23 HN SER 23 9.496 12.304 -27.176 173 HA SER 23 HA SER 23 8.174 10.278 -28.451 174 HB2 SER 23 HB1 SER 23 7.259 12.278 -27.030 175 HB3 SER 23 HB2 SER 23 7.057 13.126 -28.586 176 HG SER 23 HG1 SER 23 5.771 11.327 -29.249 177 H THR 24 HN THR 24 9.506 13.198 -30.017 178 HA THR 24 HA THR 24 8.469 12.828 -32.557 179 HB THR 24 HB THR 24 11.272 13.884 -31.928 180 HG1 THR 24 HG1 THR 24 10.210 15.841 -31.602 181 HG21 THR 24 HG21 THR 24 9.096 14.671 -34.001 182 HG22 THR 24 HG22 THR 24 10.593 13.745 -34.380 183 HG23 THR 24 HG23 THR 24 10.712 15.449 -33.826 184 H TYR 25 HN TYR 25 11.330 11.339 -31.014 185 HA TYR 25 HA TYR 25 12.285 10.366 -33.604 186 HB2 TYR 25 HB1 TYR 25 13.591 10.170 -30.812 187 HB3 TYR 25 HB2 TYR 25 14.408 9.983 -32.413 188 HD1 TYR 25 HD1 TYR 25 14.195 12.058 -34.029 189 HD2 TYR 25 HD2 TYR 25 13.572 12.267 -29.782 190 HE1 TYR 25 HE1 TYR 25 14.517 14.509 -34.104 191 HE2 TYR 25 HE2 TYR 25 13.885 14.726 -29.860 192 HH TYR 25 HH TYR 25 14.647 16.417 -32.904 193 H LEU 26 HN LEU 26 10.545 9.230 -30.893 194 HA LEU 26 HA LEU 26 10.917 6.399 -31.677 195 HB2 LEU 26 HB1 LEU 26 10.315 7.778 -29.010 196 HB3 LEU 26 HB2 LEU 26 9.799 6.085 -29.278 197 HG LEU 26 HG LEU 26 11.865 6.228 -27.995 198 HD11 LEU 26 HD11 LEU 26 13.103 4.456 -29.205 199 HD12 LEU 26 HD12 LEU 26 12.284 4.895 -30.741 200 HD13 LEU 26 HD13 LEU 26 11.321 4.206 -29.384 201 HD21 LEU 26 HD21 LEU 26 13.338 7.147 -30.528 202 HD22 LEU 26 HD22 LEU 26 14.029 6.857 -28.897 203 HD23 LEU 26 HD23 LEU 26 12.909 8.254 -29.175 204 H HIS 27 HN HIS 27 9.328 8.363 -33.071 205 HA HIS 27 HA HIS 27 6.571 7.919 -32.320 206 HB2 HIS 27 HB1 HIS 27 7.583 10.079 -33.332 207 HB3 HIS 27 HB2 HIS 27 7.595 9.221 -34.902 208 HD2 HIS 27 HD2 HIS 27 5.502 11.792 -33.400 209 HE1 HIS 27 HE1 HIS 27 2.704 9.132 -35.169 210 HE2 HIS 27 HE2 HIS 27 3.067 11.482 -34.232 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 1.425 -1.228 -0.684 2 HA2 GLY 1 HA1 GLY 1 0.951 0.803 -2.077 3 HA3 GLY 1 HA2 GLY 1 1.308 1.180 -0.341 4 H ILE 2 HN ILE 2 4.111 0.324 -0.825 5 HA ILE 2 HA ILE 2 5.179 2.878 -1.146 6 HB ILE 2 HB ILE 2 7.352 1.969 -0.887 7 HG12 ILE 2 HG11 ILE 2 7.352 0.036 -2.411 8 HG13 ILE 2 HG12 ILE 2 7.935 -0.357 -0.778 9 HG21 ILE 2 HG21 ILE 2 7.040 0.832 1.280 10 HG22 ILE 2 HG22 ILE 2 5.856 2.175 1.094 11 HG23 ILE 2 HG23 ILE 2 5.326 0.465 0.897 12 HD11 ILE 2 HD1 ILE 2 6.584 -2.218 -1.612 13 HD12 ILE 2 HD2 ILE 2 5.725 -1.463 -0.232 14 HD13 ILE 2 HD3 ILE 2 5.175 -1.154 -1.926 15 H GLY 3 HN GLY 3 4.528 0.500 -3.533 16 HA2 GLY 3 HA1 GLY 3 6.225 1.282 -5.637 17 HA3 GLY 3 HA2 GLY 3 4.577 0.579 -5.785 18 H GLY 4 HN GLY 4 3.280 2.848 -4.393 19 HA2 GLY 4 HA1 GLY 4 3.005 4.609 -6.663 20 HA3 GLY 4 HA2 GLY 4 2.159 4.679 -5.079 21 H LYS 5 HN LYS 5 5.235 4.541 -4.143 22 HA LYS 5 HA LYS 5 5.735 7.443 -4.436 23 HB2 LYS 5 HB1 LYS 5 5.610 6.462 -2.122 24 HB3 LYS 5 HB2 LYS 5 7.021 5.433 -2.498 25 HG2 LYS 5 HG1 LYS 5 8.436 7.478 -2.807 26 HG3 LYS 5 HG2 LYS 5 6.987 8.520 -2.635 27 HD2 LYS 5 HD1 LYS 5 6.636 7.641 -0.305 28 HD3 LYS 5 HD2 LYS 5 8.148 6.681 -0.449 29 HE2 LYS 5 HE1 LYS 5 9.484 8.803 -0.701 30 HE3 LYS 5 HE2 LYS 5 7.962 9.777 -0.633 31 HZ1 LYS 5 HZ1 LYS 5 9.078 9.703 1.497 32 HZ2 LYS 5 HZ2 LYS 5 9.001 8.012 1.539 33 HZ3 LYS 5 HZ3 LYS 5 7.578 8.929 1.594 34 H ILE 6 HN ILE 6 7.524 4.265 -4.532 35 HA ILE 6 HA ILE 6 9.739 5.501 -5.759 36 HB ILE 6 HB ILE 6 10.755 3.343 -5.994 37 HG12 ILE 6 HG11 ILE 6 8.095 2.180 -4.962 38 HG13 ILE 6 HG12 ILE 6 8.732 1.985 -6.631 39 HG21 ILE 6 HG21 ILE 6 10.904 2.918 -3.576 40 HG22 ILE 6 HG22 ILE 6 10.722 4.684 -3.841 41 HG23 ILE 6 HG23 ILE 6 9.312 3.700 -3.282 42 HD11 ILE 6 HD1 ILE 6 9.226 -0.047 -5.342 43 HD12 ILE 6 HD2 ILE 6 10.772 0.807 -5.694 44 HD13 ILE 6 HD3 ILE 6 10.039 0.900 -4.051 45 H LEU 7 HN LEU 7 7.033 3.693 -7.367 46 HA LEU 7 HA LEU 7 8.488 3.738 -9.858 47 HB2 LEU 7 HB1 LEU 7 5.548 3.084 -9.325 48 HB3 LEU 7 HB2 LEU 7 6.432 2.775 -10.847 49 HG LEU 7 HG LEU 7 7.015 1.477 -8.119 50 HD11 LEU 7 HD11 LEU 7 6.091 -0.590 -9.152 51 HD12 LEU 7 HD12 LEU 7 5.711 0.322 -10.663 52 HD13 LEU 7 HD13 LEU 7 4.870 0.735 -9.125 53 HD21 LEU 7 HD21 LEU 7 8.513 -0.074 -9.391 54 HD22 LEU 7 HD22 LEU 7 9.116 1.619 -9.451 55 HD23 LEU 7 HD23 LEU 7 8.263 0.910 -10.884 56 H SER 8 HN SER 8 6.270 5.862 -8.192 57 HA SER 8 HA SER 8 5.483 7.431 -10.390 58 HB2 SER 8 HB1 SER 8 5.736 8.189 -7.423 59 HB3 SER 8 HB2 SER 8 4.788 9.091 -8.670 60 HG SER 8 HG1 SER 8 3.729 7.374 -7.261 61 H GLY 9 HN GLY 9 8.465 7.212 -8.697 62 HA2 GLY 9 HA1 GLY 9 9.530 9.575 -10.125 63 HA3 GLY 9 HA2 GLY 9 10.399 8.514 -8.956 64 H LEU 10 HN LEU 10 10.497 6.138 -9.706 65 HA LEU 10 HA LEU 10 12.290 6.214 -11.795 66 HB2 LEU 10 HB1 LEU 10 12.284 4.742 -9.801 67 HB3 LEU 10 HB2 LEU 10 10.907 3.818 -10.444 68 HG LEU 10 HG LEU 10 13.238 2.798 -10.551 69 HD11 LEU 10 HD11 LEU 10 11.864 2.923 -13.294 70 HD12 LEU 10 HD12 LEU 10 11.335 1.901 -11.887 71 HD13 LEU 10 HD13 LEU 10 12.958 1.641 -12.655 72 HD21 LEU 10 HD21 LEU 10 14.505 4.818 -11.304 73 HD22 LEU 10 HD22 LEU 10 13.724 4.699 -12.926 74 HD23 LEU 10 HD23 LEU 10 14.802 3.383 -12.346 75 H LYS 11 HN LYS 11 8.874 4.964 -12.013 76 HA LYS 11 HA LYS 11 9.443 4.210 -14.802 77 HB2 LYS 11 HB1 LYS 11 7.106 3.676 -12.923 78 HB3 LYS 11 HB2 LYS 11 6.981 3.387 -14.681 79 HG2 LYS 11 HG1 LYS 11 9.133 2.077 -12.919 80 HG3 LYS 11 HG2 LYS 11 7.537 1.345 -13.303 81 HD2 LYS 11 HD1 LYS 11 8.014 1.542 -15.752 82 HD3 LYS 11 HD2 LYS 11 9.659 2.136 -15.416 83 HE2 LYS 11 HE1 LYS 11 8.549 -0.640 -14.566 84 HE3 LYS 11 HE2 LYS 11 9.538 -0.324 -16.046 85 HZ1 LYS 11 HZ1 LYS 11 11.318 0.475 -14.632 86 HZ2 LYS 11 HZ2 LYS 11 10.889 -1.115 -14.233 87 HZ3 LYS 11 HZ3 LYS 11 10.399 0.172 -13.240 88 H THR 12 HN THR 12 7.911 6.834 -12.971 89 HA THR 12 HA THR 12 6.662 8.024 -15.202 90 HB THR 12 HB THR 12 8.057 9.412 -12.870 91 HG1 THR 12 HG1 THR 12 6.176 9.260 -11.920 92 HG21 THR 12 HG21 THR 12 7.523 11.002 -14.782 93 HG22 THR 12 HG22 THR 12 6.402 11.252 -13.403 94 HG23 THR 12 HG23 THR 12 5.844 10.337 -14.847 95 H ALA 13 HN ALA 13 10.066 8.329 -13.969 96 HA ALA 13 HA ALA 13 10.955 9.912 -16.110 97 HB1 ALA 13 HB1 ALA 13 13.230 9.210 -15.324 98 HB2 ALA 13 HB2 ALA 13 12.161 9.645 -13.944 99 HB3 ALA 13 HB3 ALA 13 12.470 7.915 -14.320 100 H LEU 14 HN LEU 14 11.146 6.329 -15.685 101 HA LEU 14 HA LEU 14 12.489 5.967 -18.142 102 HB2 LEU 14 HB1 LEU 14 12.631 4.550 -16.039 103 HB3 LEU 14 HB2 LEU 14 10.994 3.929 -16.401 104 HG LEU 14 HG LEU 14 11.922 2.960 -18.574 105 HD11 LEU 14 HD11 LEU 14 14.639 3.856 -17.407 106 HD12 LEU 14 HD12 LEU 14 13.879 4.446 -18.933 107 HD13 LEU 14 HD13 LEU 14 14.413 2.739 -18.803 108 HD21 LEU 14 HD21 LEU 14 13.165 1.096 -17.478 109 HD22 LEU 14 HD22 LEU 14 11.682 1.555 -16.553 110 HD23 LEU 14 HD23 LEU 14 13.326 2.080 -15.976 111 H LYS 15 HN LYS 15 9.070 6.232 -17.506 112 HA LYS 15 HA LYS 15 8.613 5.345 -20.265 113 HB2 LYS 15 HB1 LYS 15 7.499 3.755 -18.723 114 HB3 LYS 15 HB2 LYS 15 6.564 5.112 -18.039 115 HG2 LYS 15 HG1 LYS 15 5.110 4.060 -19.545 116 HG3 LYS 15 HG2 LYS 15 5.577 5.536 -20.400 117 HD2 LYS 15 HD1 LYS 15 6.622 2.655 -20.868 118 HD3 LYS 15 HD2 LYS 15 5.373 3.478 -21.827 119 HE2 LYS 15 HE1 LYS 15 8.405 4.065 -21.823 120 HE3 LYS 15 HE2 LYS 15 7.387 3.400 -23.143 121 HZ1 LYS 15 HZ1 LYS 15 7.808 5.671 -23.578 122 HZ2 LYS 15 HZ2 LYS 15 7.337 6.172 -22.051 123 HZ3 LYS 15 HZ3 LYS 15 6.174 5.565 -23.122 124 H GLY 16 HN GLY 16 6.870 7.481 -17.908 125 HA2 GLY 16 HA1 GLY 16 5.570 8.948 -19.903 126 HA3 GLY 16 HA2 GLY 16 5.942 9.496 -18.234 127 H ALA 17 HN ALA 17 8.445 10.131 -18.046 128 HA ALA 17 HA ALA 17 8.744 12.429 -19.630 129 HB1 ALA 17 HB1 ALA 17 10.888 10.959 -17.980 130 HB2 ALA 17 HB2 ALA 17 10.933 12.686 -18.493 131 HB3 ALA 17 HB3 ALA 17 9.694 12.137 -17.306 132 H ALA 18 HN ALA 18 10.395 9.269 -19.850 133 HA ALA 18 HA ALA 18 11.920 9.647 -22.089 134 HB1 ALA 18 HB1 ALA 18 11.932 7.600 -20.671 135 HB2 ALA 18 HB2 ALA 18 10.304 7.152 -21.288 136 HB3 ALA 18 HB3 ALA 18 11.726 7.182 -22.406 137 H LYS 19 HN LYS 19 8.369 8.931 -22.096 138 HA LYS 19 HA LYS 19 8.213 8.784 -24.949 139 HB2 LYS 19 HB1 LYS 19 6.474 8.130 -22.961 140 HB3 LYS 19 HB2 LYS 19 5.857 9.747 -23.257 141 HG2 LYS 19 HG1 LYS 19 6.049 7.394 -25.238 142 HG3 LYS 19 HG2 LYS 19 4.558 8.029 -24.476 143 HD2 LYS 19 HD1 LYS 19 6.251 9.525 -26.592 144 HD3 LYS 19 HD2 LYS 19 4.865 8.477 -26.915 145 HE2 LYS 19 HE1 LYS 19 3.862 10.527 -27.092 146 HE3 LYS 19 HE2 LYS 19 3.426 10.075 -25.398 147 HZ1 LYS 19 HZ1 LYS 19 5.043 11.538 -24.587 148 HZ2 LYS 19 HZ2 LYS 19 4.251 12.409 -25.671 149 HZ3 LYS 19 HZ3 LYS 19 5.766 11.812 -26.110 150 H GLU 20 HN GLU 20 7.590 11.517 -22.615 151 HA GLU 20 HA GLU 20 6.875 13.294 -24.648 152 HB2 GLU 20 HB1 GLU 20 7.968 14.080 -21.912 153 HB3 GLU 20 HB2 GLU 20 6.976 15.061 -23.044 154 HG2 GLU 20 HG1 GLU 20 6.096 12.737 -21.260 155 HG3 GLU 20 HG2 GLU 20 5.356 14.367 -21.463 156 H LEU 21 HN LEU 21 10.120 12.628 -23.350 157 HA LEU 21 HA LEU 21 11.234 14.763 -24.951 158 HB2 LEU 21 HB1 LEU 21 11.954 13.383 -22.621 159 HB3 LEU 21 HB2 LEU 21 13.138 12.773 -23.806 160 HG LEU 21 HG LEU 21 12.550 15.735 -23.174 161 HD11 LEU 21 HD11 LEU 21 13.556 14.525 -21.235 162 HD12 LEU 21 HD12 LEU 21 14.722 15.706 -21.947 163 HD13 LEU 21 HD13 LEU 21 14.901 13.944 -22.290 164 HD21 LEU 21 HD21 LEU 21 14.809 14.471 -24.856 165 HD22 LEU 21 HD22 LEU 21 14.718 16.207 -24.371 166 HD23 LEU 21 HD23 LEU 21 13.476 15.509 -25.470 167 H ALA 22 HN ALA 22 10.230 11.587 -25.787 168 HA ALA 22 HA ALA 22 12.096 11.692 -28.103 169 HB1 ALA 22 HB1 ALA 22 11.388 9.185 -26.478 170 HB2 ALA 22 HB2 ALA 22 12.514 9.273 -27.887 171 HB3 ALA 22 HB3 ALA 22 12.933 10.099 -26.343 172 H SER 23 HN SER 23 8.784 11.788 -27.473 173 HA SER 23 HA SER 23 7.989 10.138 -29.656 174 HB2 SER 23 HB1 SER 23 5.913 11.773 -29.746 175 HB3 SER 23 HB2 SER 23 6.137 10.613 -28.422 176 HG SER 23 HG1 SER 23 6.740 13.399 -28.344 177 H THR 24 HN THR 24 9.373 13.366 -29.500 178 HA THR 24 HA THR 24 8.897 14.271 -32.049 179 HB THR 24 HB THR 24 11.563 14.559 -30.577 180 HG1 THR 24 HG1 THR 24 10.546 16.207 -29.448 181 HG21 THR 24 HG21 THR 24 11.398 16.899 -31.501 182 HG22 THR 24 HG22 THR 24 9.802 16.503 -32.242 183 HG23 THR 24 HG23 THR 24 11.300 15.701 -32.838 184 H TYR 25 HN TYR 25 11.125 11.762 -30.940 185 HA TYR 25 HA TYR 25 12.488 11.762 -33.567 186 HB2 TYR 25 HB1 TYR 25 13.470 10.652 -30.862 187 HB3 TYR 25 HB2 TYR 25 14.442 10.840 -32.376 188 HD1 TYR 25 HD1 TYR 25 14.172 13.402 -33.390 189 HD2 TYR 25 HD2 TYR 25 13.891 12.271 -29.249 190 HE1 TYR 25 HE1 TYR 25 14.660 15.725 -32.722 191 HE2 TYR 25 HE2 TYR 25 14.357 14.605 -28.583 192 HH TYR 25 HH TYR 25 14.987 17.146 -31.014 193 H LEU 26 HN LEU 26 10.979 9.545 -31.128 194 HA LEU 26 HA LEU 26 11.380 7.331 -33.031 195 HB2 LEU 26 HB1 LEU 26 10.726 7.519 -30.046 196 HB3 LEU 26 HB2 LEU 26 10.485 5.999 -30.960 197 HG LEU 26 HG LEU 26 12.535 5.913 -29.714 198 HD11 LEU 26 HD11 LEU 26 13.148 6.053 -32.731 199 HD12 LEU 26 HD12 LEU 26 12.343 4.676 -31.890 200 HD13 LEU 26 HD13 LEU 26 14.046 5.116 -31.488 201 HD21 LEU 26 HD21 LEU 26 14.526 7.250 -30.140 202 HD22 LEU 26 HD22 LEU 26 13.164 8.368 -29.734 203 HD23 LEU 26 HD23 LEU 26 13.704 8.165 -31.447 204 H HIS 27 HN HIS 27 8.965 9.607 -32.466 205 HA HIS 27 HA HIS 27 6.993 7.733 -33.621 206 HB2 HIS 27 HB1 HIS 27 6.337 9.765 -31.406 207 HB3 HIS 27 HB2 HIS 27 5.147 8.740 -32.281 208 HD2 HIS 27 HD2 HIS 27 6.570 5.799 -32.001 209 HE1 HIS 27 HE1 HIS 27 6.456 6.681 -27.856 210 HE2 HIS 27 HE2 HIS 27 6.708 4.836 -29.632 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 1.149 0.015 0.336 2 HA2 GLY 1 HA1 GLY 1 0.988 1.877 -1.333 3 HA3 GLY 1 HA2 GLY 1 1.479 2.436 0.319 4 H ILE 2 HN ILE 2 4.021 0.861 -0.296 5 HA ILE 2 HA ILE 2 5.639 3.062 -0.813 6 HB ILE 2 HB ILE 2 6.373 1.153 0.478 7 HG12 ILE 2 HG11 ILE 2 8.224 1.598 -1.940 8 HG13 ILE 2 HG12 ILE 2 7.985 2.781 -0.613 9 HG21 ILE 2 HG21 ILE 2 6.623 -0.395 -2.189 10 HG22 ILE 2 HG22 ILE 2 7.061 -0.974 -0.550 11 HG23 ILE 2 HG23 ILE 2 5.341 -0.678 -0.943 12 HD11 ILE 2 HD1 ILE 2 9.115 -0.084 -0.306 13 HD12 ILE 2 HD2 ILE 2 10.040 1.450 -0.201 14 HD13 ILE 2 HD3 ILE 2 8.809 1.053 1.053 15 H GLY 3 HN GLY 3 4.490 0.636 -3.094 16 HA2 GLY 3 HA1 GLY 3 5.995 1.283 -5.360 17 HA3 GLY 3 HA2 GLY 3 4.322 0.632 -5.336 18 H GLY 4 HN GLY 4 3.274 3.009 -3.934 19 HA2 GLY 4 HA1 GLY 4 2.651 4.564 -6.265 20 HA3 GLY 4 HA2 GLY 4 2.041 4.756 -4.584 21 H LYS 5 HN LYS 5 5.273 4.773 -4.175 22 HA LYS 5 HA LYS 5 5.632 7.511 -5.234 23 HB2 LYS 5 HB1 LYS 5 6.753 8.353 -3.298 24 HB3 LYS 5 HB2 LYS 5 5.109 7.792 -2.915 25 HG2 LYS 5 HG1 LYS 5 6.167 7.043 -1.082 26 HG3 LYS 5 HG2 LYS 5 6.294 5.561 -2.073 27 HD2 LYS 5 HD1 LYS 5 8.640 6.100 -2.653 28 HD3 LYS 5 HD2 LYS 5 8.518 7.721 -1.929 29 HE2 LYS 5 HE1 LYS 5 8.324 5.066 -0.335 30 HE3 LYS 5 HE2 LYS 5 9.820 6.066 -0.511 31 HZ1 LYS 5 HZ1 LYS 5 7.254 6.978 0.698 32 HZ2 LYS 5 HZ2 LYS 5 8.659 7.904 0.530 33 HZ3 LYS 5 HZ3 LYS 5 8.659 6.548 1.543 34 H ILE 6 HN ILE 6 7.244 4.347 -4.534 35 HA ILE 6 HA ILE 6 9.661 5.378 -5.678 36 HB ILE 6 HB ILE 6 10.571 3.201 -5.752 37 HG12 ILE 6 HG11 ILE 6 7.840 2.163 -4.791 38 HG13 ILE 6 HG12 ILE 6 8.550 1.874 -6.417 39 HG21 ILE 6 HG21 ILE 6 10.511 4.625 -3.662 40 HG22 ILE 6 HG22 ILE 6 9.040 3.719 -3.120 41 HG23 ILE 6 HG23 ILE 6 10.613 2.866 -3.316 42 HD11 ILE 6 HD1 ILE 6 8.919 -0.111 -5.022 43 HD12 ILE 6 HD2 ILE 6 10.504 0.682 -5.337 44 HD13 ILE 6 HD3 ILE 6 9.702 0.866 -3.734 45 H LEU 7 HN LEU 7 6.882 3.586 -7.201 46 HA LEU 7 HA LEU 7 8.318 3.467 -9.695 47 HB2 LEU 7 HB1 LEU 7 5.352 3.000 -9.086 48 HB3 LEU 7 HB2 LEU 7 6.170 2.606 -10.627 49 HG LEU 7 HG LEU 7 6.796 1.346 -7.890 50 HD11 LEU 7 HD11 LEU 7 5.699 -0.687 -8.818 51 HD12 LEU 7 HD12 LEU 7 5.295 0.209 -10.331 52 HD13 LEU 7 HD13 LEU 7 4.560 0.709 -8.765 53 HD21 LEU 7 HD21 LEU 7 8.828 1.326 -9.332 54 HD22 LEU 7 HD22 LEU 7 7.859 0.650 -10.705 55 HD23 LEU 7 HD23 LEU 7 8.126 -0.325 -9.211 56 H SER 8 HN SER 8 6.165 5.728 -8.131 57 HA SER 8 HA SER 8 5.383 7.208 -10.353 58 HB2 SER 8 HB1 SER 8 5.724 8.174 -7.460 59 HB3 SER 8 HB2 SER 8 4.660 8.902 -8.726 60 HG SER 8 HG1 SER 8 3.655 7.344 -7.196 61 H GLY 9 HN GLY 9 8.469 7.128 -8.747 62 HA2 GLY 9 HA1 GLY 9 9.305 9.421 -10.467 63 HA3 GLY 9 HA2 GLY 9 10.263 8.650 -9.161 64 H LEU 10 HN LEU 10 10.149 5.974 -9.717 65 HA LEU 10 HA LEU 10 12.142 5.870 -11.641 66 HB2 LEU 10 HB1 LEU 10 11.896 4.486 -9.600 67 HB3 LEU 10 HB2 LEU 10 10.533 3.603 -10.324 68 HG LEU 10 HG LEU 10 12.814 2.476 -10.201 69 HD11 LEU 10 HD11 LEU 10 10.983 1.608 -11.641 70 HD12 LEU 10 HD12 LEU 10 12.642 1.254 -12.283 71 HD13 LEU 10 HD13 LEU 10 11.652 2.558 -13.041 72 HD21 LEU 10 HD21 LEU 10 14.232 4.405 -10.928 73 HD22 LEU 10 HD22 LEU 10 13.574 4.255 -12.600 74 HD23 LEU 10 HD23 LEU 10 14.540 2.916 -11.888 75 H LYS 11 HN LYS 11 8.697 4.792 -12.048 76 HA LYS 11 HA LYS 11 9.392 3.937 -14.783 77 HB2 LYS 11 HB1 LYS 11 6.971 3.530 -12.979 78 HB3 LYS 11 HB2 LYS 11 6.872 3.217 -14.735 79 HG2 LYS 11 HG1 LYS 11 8.975 1.879 -12.942 80 HG3 LYS 11 HG2 LYS 11 7.349 1.186 -13.263 81 HD2 LYS 11 HD1 LYS 11 7.736 1.195 -15.694 82 HD3 LYS 11 HD2 LYS 11 9.364 1.887 -15.507 83 HE2 LYS 11 HE1 LYS 11 8.486 -0.864 -14.362 84 HE3 LYS 11 HE2 LYS 11 9.293 -0.630 -15.963 85 HZ1 LYS 11 HZ1 LYS 11 10.428 0.189 -13.336 86 HZ2 LYS 11 HZ2 LYS 11 11.173 0.343 -14.848 87 HZ3 LYS 11 HZ3 LYS 11 10.858 -1.198 -14.218 88 H THR 12 HN THR 12 7.824 6.605 -13.068 89 HA THR 12 HA THR 12 6.690 7.818 -15.331 90 HB THR 12 HB THR 12 8.015 9.190 -12.949 91 HG1 THR 12 HG1 THR 12 6.105 9.011 -12.035 92 HG21 THR 12 HG21 THR 12 7.473 10.777 -14.864 93 HG22 THR 12 HG22 THR 12 6.337 11.006 -13.493 94 HG23 THR 12 HG23 THR 12 5.807 10.087 -14.944 95 H ALA 13 HN ALA 13 10.070 8.113 -13.978 96 HA ALA 13 HA ALA 13 11.003 9.719 -16.079 97 HB1 ALA 13 HB1 ALA 13 12.160 9.439 -13.888 98 HB2 ALA 13 HB2 ALA 13 12.477 7.711 -14.267 99 HB3 ALA 13 HB3 ALA 13 13.259 9.012 -15.247 100 H LEU 14 HN LEU 14 11.124 6.138 -15.682 101 HA LEU 14 HA LEU 14 12.588 5.727 -18.039 102 HB2 LEU 14 HB1 LEU 14 12.437 4.236 -15.986 103 HB3 LEU 14 HB2 LEU 14 10.795 3.758 -16.515 104 HG LEU 14 HG LEU 14 11.847 2.818 -18.651 105 HD11 LEU 14 HD11 LEU 14 14.322 2.391 -18.652 106 HD12 LEU 14 HD12 LEU 14 14.498 3.419 -17.182 107 HD13 LEU 14 HD13 LEU 14 13.944 4.142 -18.738 108 HD21 LEU 14 HD21 LEU 14 12.902 1.699 -15.982 109 HD22 LEU 14 HD22 LEU 14 12.820 0.804 -17.546 110 HD23 LEU 14 HD23 LEU 14 11.288 1.344 -16.755 111 H LYS 15 HN LYS 15 9.076 5.982 -17.628 112 HA LYS 15 HA LYS 15 8.858 5.364 -20.503 113 HB2 LYS 15 HB1 LYS 15 7.741 3.617 -19.143 114 HB3 LYS 15 HB2 LYS 15 6.673 4.865 -18.446 115 HG2 LYS 15 HG1 LYS 15 5.528 3.647 -20.209 116 HG3 LYS 15 HG2 LYS 15 5.714 5.334 -20.741 117 HD2 LYS 15 HD1 LYS 15 7.777 3.228 -21.605 118 HD3 LYS 15 HD2 LYS 15 6.141 3.218 -22.338 119 HE2 LYS 15 HE1 LYS 15 6.420 5.580 -23.133 120 HE3 LYS 15 HE2 LYS 15 8.100 5.613 -22.471 121 HZ1 LYS 15 HZ1 LYS 15 8.666 3.783 -23.928 122 HZ2 LYS 15 HZ2 LYS 15 8.098 5.117 -24.795 123 HZ3 LYS 15 HZ3 LYS 15 7.100 3.765 -24.583 124 H GLY 16 HN GLY 16 6.843 7.187 -18.080 125 HA2 GLY 16 HA1 GLY 16 5.587 8.754 -19.982 126 HA3 GLY 16 HA2 GLY 16 5.894 9.224 -18.276 127 H ALA 17 HN ALA 17 8.391 9.939 -18.038 128 HA ALA 17 HA ALA 17 8.614 12.350 -19.471 129 HB1 ALA 17 HB1 ALA 17 9.555 11.942 -17.159 130 HB2 ALA 17 HB2 ALA 17 10.775 10.829 -17.890 131 HB3 ALA 17 HB3 ALA 17 10.795 12.585 -18.298 132 H ALA 18 HN ALA 18 10.283 9.215 -19.902 133 HA ALA 18 HA ALA 18 11.947 9.955 -22.006 134 HB1 ALA 18 HB1 ALA 18 10.630 7.239 -21.389 135 HB2 ALA 18 HB2 ALA 18 12.085 7.496 -22.433 136 HB3 ALA 18 HB3 ALA 18 12.160 7.852 -20.671 137 H LYS 19 HN LYS 19 8.502 8.892 -22.145 138 HA LYS 19 HA LYS 19 8.378 8.784 -24.974 139 HB2 LYS 19 HB1 LYS 19 6.645 8.038 -23.028 140 HB3 LYS 19 HB2 LYS 19 5.940 9.623 -23.336 141 HG2 LYS 19 HG1 LYS 19 6.289 7.251 -25.264 142 HG3 LYS 19 HG2 LYS 19 4.753 7.867 -24.585 143 HD2 LYS 19 HD1 LYS 19 6.472 9.343 -26.710 144 HD3 LYS 19 HD2 LYS 19 5.147 8.217 -27.029 145 HE2 LYS 19 HE1 LYS 19 4.135 10.261 -27.361 146 HE3 LYS 19 HE2 LYS 19 3.545 9.787 -25.720 147 HZ1 LYS 19 HZ1 LYS 19 4.886 11.392 -24.751 148 HZ2 LYS 19 HZ2 LYS 19 4.408 12.182 -26.094 149 HZ3 LYS 19 HZ3 LYS 19 5.945 11.505 -26.064 150 H GLU 20 HN GLU 20 7.642 11.495 -22.655 151 HA GLU 20 HA GLU 20 6.964 13.246 -24.761 152 HB2 GLU 20 HB1 GLU 20 7.871 14.065 -21.969 153 HB3 GLU 20 HB2 GLU 20 6.925 15.015 -23.167 154 HG2 GLU 20 HG1 GLU 20 6.001 12.669 -21.430 155 HG3 GLU 20 HG2 GLU 20 5.236 14.282 -21.672 156 H LEU 21 HN LEU 21 10.088 12.803 -23.063 157 HA LEU 21 HA LEU 21 11.481 14.803 -24.436 158 HB2 LEU 21 HB1 LEU 21 12.128 13.643 -22.327 159 HB3 LEU 21 HB2 LEU 21 12.487 12.149 -23.230 160 HG LEU 21 HG LEU 21 13.904 14.771 -23.945 161 HD11 LEU 21 HD11 LEU 21 15.657 14.285 -22.236 162 HD12 LEU 21 HD12 LEU 21 14.675 12.906 -21.611 163 HD13 LEU 21 HD13 LEU 21 14.056 14.596 -21.465 164 HD21 LEU 21 HD21 LEU 21 14.814 11.813 -23.974 165 HD22 LEU 21 HD22 LEU 21 15.839 13.225 -24.426 166 HD23 LEU 21 HD23 LEU 21 14.403 12.814 -25.419 167 H ALA 22 HN ALA 22 11.048 11.328 -25.313 168 HA ALA 22 HA ALA 22 12.615 11.774 -27.735 169 HB1 ALA 22 HB1 ALA 22 13.055 9.799 -26.253 170 HB2 ALA 22 HB2 ALA 22 11.376 9.223 -26.559 171 HB3 ALA 22 HB3 ALA 22 12.564 9.312 -27.916 172 H SER 23 HN SER 23 9.616 12.694 -27.213 173 HA SER 23 HA SER 23 7.925 11.014 -28.565 174 HB2 SER 23 HB1 SER 23 7.379 13.100 -27.065 175 HB3 SER 23 HB2 SER 23 7.389 14.037 -28.578 176 HG SER 23 HG1 SER 23 5.745 12.666 -29.342 177 H THR 24 HN THR 24 9.692 13.791 -30.017 178 HA THR 24 HA THR 24 8.455 13.570 -32.535 179 HB THR 24 HB THR 24 11.249 14.706 -32.073 180 HG1 THR 24 HG1 THR 24 10.220 16.562 -31.364 181 HG21 THR 24 HG21 THR 24 10.378 16.462 -33.666 182 HG22 THR 24 HG22 THR 24 8.774 15.640 -33.703 183 HG23 THR 24 HG23 THR 24 10.223 14.831 -34.403 184 H TYR 25 HN TYR 25 10.892 11.644 -31.050 185 HA TYR 25 HA TYR 25 12.229 11.056 -33.622 186 HB2 TYR 25 HB1 TYR 25 13.256 10.714 -30.731 187 HB3 TYR 25 HB2 TYR 25 14.226 10.539 -32.248 188 HD1 TYR 25 HD1 TYR 25 14.119 12.651 -33.865 189 HD2 TYR 25 HD2 TYR 25 13.278 12.789 -29.651 190 HE1 TYR 25 HE1 TYR 25 14.513 15.089 -33.867 191 HE2 TYR 25 HE2 TYR 25 13.668 15.234 -29.656 192 HH TYR 25 HH TYR 25 14.612 16.967 -32.630 193 H LEU 26 HN LEU 26 10.855 9.472 -30.720 194 HA LEU 26 HA LEU 26 11.371 6.837 -31.966 195 HB2 LEU 26 HB1 LEU 26 11.159 7.873 -29.111 196 HB3 LEU 26 HB2 LEU 26 10.772 6.157 -29.434 197 HG LEU 26 HG LEU 26 13.041 6.425 -28.615 198 HD11 LEU 26 HD11 LEU 26 12.411 4.495 -30.092 199 HD12 LEU 26 HD12 LEU 26 14.155 4.941 -30.238 200 HD13 LEU 26 HD13 LEU 26 12.998 5.416 -31.527 201 HD21 LEU 26 HD21 LEU 26 13.649 8.650 -29.656 202 HD22 LEU 26 HD22 LEU 26 13.774 7.823 -31.256 203 HD23 LEU 26 HD23 LEU 26 14.885 7.361 -29.923 204 H HIS 27 HN HIS 27 8.959 8.852 -32.321 205 HA HIS 27 HA HIS 27 6.789 7.045 -31.519 206 HB2 HIS 27 HB1 HIS 27 6.445 9.478 -31.214 207 HB3 HIS 27 HB2 HIS 27 6.664 9.731 -32.979 208 HD2 HIS 27 HD2 HIS 27 4.275 9.570 -34.365 209 HE1 HIS 27 HE1 HIS 27 2.122 7.416 -31.410 210 HE2 HIS 27 HE2 HIS 27 1.997 8.549 -33.700 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 1.027 0.200 0.488 2 HA2 GLY 1 HA1 GLY 1 0.910 2.018 -1.243 3 HA3 GLY 1 HA2 GLY 1 1.457 2.590 0.386 4 H ILE 2 HN ILE 2 3.929 0.962 -0.125 5 HA ILE 2 HA ILE 2 5.608 3.078 -0.728 6 HB ILE 2 HB ILE 2 6.268 1.217 0.657 7 HG12 ILE 2 HG11 ILE 2 8.164 1.486 -1.754 8 HG13 ILE 2 HG12 ILE 2 7.954 2.724 -0.472 9 HG21 ILE 2 HG21 ILE 2 6.889 -0.983 -0.243 10 HG22 ILE 2 HG22 ILE 2 5.189 -0.649 -0.687 11 HG23 ILE 2 HG23 ILE 2 6.504 -0.479 -1.919 12 HD11 ILE 2 HD1 ILE 2 8.976 -0.165 -0.045 13 HD12 ILE 2 HD2 ILE 2 9.950 1.343 0.021 14 HD13 ILE 2 HD3 ILE 2 8.687 1.034 1.266 15 H GLY 3 HN GLY 3 4.485 0.550 -2.910 16 HA2 GLY 3 HA1 GLY 3 5.902 0.963 -5.220 17 HA3 GLY 3 HA2 GLY 3 4.148 0.583 -5.139 18 H GLY 4 HN GLY 4 3.179 2.978 -4.064 19 HA2 GLY 4 HA1 GLY 4 3.060 4.517 -6.495 20 HA3 GLY 4 HA2 GLY 4 2.173 4.782 -4.957 21 H LYS 5 HN LYS 5 5.222 4.699 -3.864 22 HA LYS 5 HA LYS 5 5.836 7.457 -4.779 23 HB2 LYS 5 HB1 LYS 5 6.646 8.126 -2.652 24 HB3 LYS 5 HB2 LYS 5 5.001 7.494 -2.511 25 HG2 LYS 5 HG1 LYS 5 6.112 6.738 -0.575 26 HG3 LYS 5 HG2 LYS 5 5.806 5.333 -1.615 27 HD2 LYS 5 HD1 LYS 5 7.910 5.061 -0.536 28 HD3 LYS 5 HD2 LYS 5 8.246 5.262 -2.261 29 HE2 LYS 5 HE1 LYS 5 8.609 7.427 -0.049 30 HE3 LYS 5 HE2 LYS 5 9.907 6.384 -0.744 31 HZ1 LYS 5 HZ1 LYS 5 8.448 8.613 -1.987 32 HZ2 LYS 5 HZ2 LYS 5 9.085 7.415 -2.971 33 HZ3 LYS 5 HZ3 LYS 5 10.115 8.300 -1.950 34 H ILE 6 HN ILE 6 7.028 4.225 -4.830 35 HA ILE 6 HA ILE 6 9.649 5.311 -5.594 36 HB ILE 6 HB ILE 6 10.443 3.092 -5.987 37 HG12 ILE 6 HG11 ILE 6 7.728 2.140 -4.891 38 HG13 ILE 6 HG12 ILE 6 8.320 1.904 -6.572 39 HG21 ILE 6 HG21 ILE 6 9.156 3.448 -3.205 40 HG22 ILE 6 HG22 ILE 6 10.670 2.564 -3.601 41 HG23 ILE 6 HG23 ILE 6 10.618 4.349 -3.783 42 HD11 ILE 6 HD1 ILE 6 10.265 0.547 -5.672 43 HD12 ILE 6 HD2 ILE 6 9.549 0.672 -4.023 44 HD13 ILE 6 HD3 ILE 6 8.653 -0.175 -5.327 45 H LEU 7 HN LEU 7 6.914 3.564 -7.240 46 HA LEU 7 HA LEU 7 8.259 3.481 -9.696 47 HB2 LEU 7 HB1 LEU 7 5.272 3.241 -9.061 48 HB3 LEU 7 HB2 LEU 7 6.006 2.838 -10.643 49 HG LEU 7 HG LEU 7 6.644 1.442 -7.979 50 HD11 LEU 7 HD11 LEU 7 4.332 0.998 -8.778 51 HD12 LEU 7 HD12 LEU 7 5.368 -0.469 -8.932 52 HD13 LEU 7 HD13 LEU 7 4.969 0.509 -10.392 53 HD21 LEU 7 HD21 LEU 7 8.611 1.324 -9.506 54 HD22 LEU 7 HD22 LEU 7 7.539 0.785 -10.862 55 HD23 LEU 7 HD23 LEU 7 7.785 -0.270 -9.424 56 H SER 8 HN SER 8 6.031 5.845 -8.353 57 HA SER 8 HA SER 8 5.446 7.310 -10.570 58 HB2 SER 8 HB1 SER 8 5.783 8.343 -7.701 59 HB3 SER 8 HB2 SER 8 4.742 9.058 -8.995 60 HG SER 8 HG1 SER 8 3.794 7.459 -7.371 61 H GLY 9 HN GLY 9 8.531 7.215 -8.961 62 HA2 GLY 9 HA1 GLY 9 9.425 9.323 -10.880 63 HA3 GLY 9 HA2 GLY 9 10.349 8.757 -9.450 64 H LEU 10 HN LEU 10 10.173 6.053 -9.610 65 HA LEU 10 HA LEU 10 12.331 5.593 -11.234 66 HB2 LEU 10 HB1 LEU 10 11.756 4.619 -9.029 67 HB3 LEU 10 HB2 LEU 10 10.491 3.613 -9.768 68 HG LEU 10 HG LEU 10 12.745 2.589 -9.073 69 HD11 LEU 10 HD11 LEU 10 11.760 1.982 -11.911 70 HD12 LEU 10 HD12 LEU 10 11.081 1.336 -10.367 71 HD13 LEU 10 HD13 LEU 10 12.759 0.906 -10.854 72 HD21 LEU 10 HD21 LEU 10 13.784 3.756 -11.729 73 HD22 LEU 10 HD22 LEU 10 14.632 2.606 -10.633 74 HD23 LEU 10 HD23 LEU 10 14.272 4.275 -10.074 75 H LYS 11 HN LYS 11 8.922 4.855 -12.038 76 HA LYS 11 HA LYS 11 9.933 3.897 -14.661 77 HB2 LYS 11 HB1 LYS 11 7.493 3.013 -13.076 78 HB3 LYS 11 HB2 LYS 11 7.649 2.710 -14.836 79 HG2 LYS 11 HG1 LYS 11 9.742 1.793 -12.776 80 HG3 LYS 11 HG2 LYS 11 8.374 0.784 -13.313 81 HD2 LYS 11 HD1 LYS 11 9.301 0.228 -15.267 82 HD3 LYS 11 HD2 LYS 11 9.823 1.873 -15.674 83 HE2 LYS 11 HE1 LYS 11 11.363 0.131 -13.626 84 HE3 LYS 11 HE2 LYS 11 11.648 -0.003 -15.404 85 HZ1 LYS 11 HZ1 LYS 11 11.870 2.592 -13.937 86 HZ2 LYS 11 HZ2 LYS 11 12.334 2.233 -15.508 87 HZ3 LYS 11 HZ3 LYS 11 13.157 1.541 -14.206 88 H THR 12 HN THR 12 7.962 6.380 -13.087 89 HA THR 12 HA THR 12 6.739 7.309 -15.421 90 HB THR 12 HB THR 12 7.928 9.009 -13.186 91 HG1 THR 12 HG1 THR 12 5.985 8.799 -12.305 92 HG21 THR 12 HG21 THR 12 7.241 10.374 -15.221 93 HG22 THR 12 HG22 THR 12 6.087 10.605 -13.872 94 HG23 THR 12 HG23 THR 12 5.649 9.523 -15.238 95 H ALA 13 HN ALA 13 10.070 7.918 -14.162 96 HA ALA 13 HA ALA 13 10.839 9.673 -16.175 97 HB1 ALA 13 HB1 ALA 13 13.141 9.202 -15.336 98 HB2 ALA 13 HB2 ALA 13 11.982 9.428 -13.981 99 HB3 ALA 13 HB3 ALA 13 12.512 7.769 -14.433 100 H LEU 14 HN LEU 14 10.420 6.227 -16.382 101 HA LEU 14 HA LEU 14 12.238 6.099 -18.729 102 HB2 LEU 14 HB1 LEU 14 12.663 4.678 -16.600 103 HB3 LEU 14 HB2 LEU 14 11.186 3.758 -17.057 104 HG LEU 14 HG LEU 14 12.343 3.254 -19.304 105 HD11 LEU 14 HD11 LEU 14 14.808 4.462 -17.884 106 HD12 LEU 14 HD12 LEU 14 14.007 5.097 -19.369 107 HD13 LEU 14 HD13 LEU 14 14.834 3.509 -19.413 108 HD21 LEU 14 HD21 LEU 14 12.321 1.559 -17.482 109 HD22 LEU 14 HD22 LEU 14 13.877 2.269 -16.823 110 HD23 LEU 14 HD23 LEU 14 13.834 1.507 -18.446 111 H LYS 15 HN LYS 15 8.913 6.174 -17.922 112 HA LYS 15 HA LYS 15 8.342 5.148 -20.635 113 HB2 LYS 15 HB1 LYS 15 7.345 3.613 -18.973 114 HB3 LYS 15 HB2 LYS 15 6.489 4.975 -18.203 115 HG2 LYS 15 HG1 LYS 15 4.953 3.693 -19.636 116 HG3 LYS 15 HG2 LYS 15 5.161 5.347 -20.293 117 HD2 LYS 15 HD1 LYS 15 6.872 4.436 -21.946 118 HD3 LYS 15 HD2 LYS 15 6.523 2.784 -21.377 119 HE2 LYS 15 HE1 LYS 15 4.513 4.766 -22.693 120 HE3 LYS 15 HE2 LYS 15 5.373 3.427 -23.548 121 HZ1 LYS 15 HZ1 LYS 15 3.473 3.108 -21.278 122 HZ2 LYS 15 HZ2 LYS 15 4.283 1.855 -22.087 123 HZ3 LYS 15 HZ3 LYS 15 3.145 2.800 -22.914 124 H GLY 16 HN GLY 16 6.672 7.241 -18.206 125 HA2 GLY 16 HA1 GLY 16 5.338 8.760 -20.158 126 HA3 GLY 16 HA2 GLY 16 5.654 9.228 -18.448 127 H ALA 17 HN ALA 17 8.113 9.867 -18.134 128 HA ALA 17 HA ALA 17 8.466 12.245 -19.544 129 HB1 ALA 17 HB1 ALA 17 10.570 10.703 -17.928 130 HB2 ALA 17 HB2 ALA 17 10.552 12.469 -18.297 131 HB3 ALA 17 HB3 ALA 17 9.297 11.784 -17.212 132 H ALA 18 HN ALA 18 9.932 9.029 -20.032 133 HA ALA 18 HA ALA 18 11.854 9.788 -21.921 134 HB1 ALA 18 HB1 ALA 18 10.325 7.129 -21.617 135 HB2 ALA 18 HB2 ALA 18 11.875 7.355 -22.516 136 HB3 ALA 18 HB3 ALA 18 11.828 7.594 -20.734 137 H LYS 19 HN LYS 19 8.397 8.779 -22.518 138 HA LYS 19 HA LYS 19 8.837 9.254 -25.360 139 HB2 LYS 19 HB1 LYS 19 7.121 7.590 -23.990 140 HB3 LYS 19 HB2 LYS 19 6.012 8.900 -24.456 141 HG2 LYS 19 HG1 LYS 19 7.833 7.185 -26.277 142 HG3 LYS 19 HG2 LYS 19 6.061 7.019 -26.123 143 HD2 LYS 19 HD1 LYS 19 7.570 9.412 -27.353 144 HD3 LYS 19 HD2 LYS 19 6.798 8.084 -28.261 145 HE2 LYS 19 HE1 LYS 19 4.543 8.752 -27.464 146 HE3 LYS 19 HE2 LYS 19 5.252 10.083 -26.466 147 HZ1 LYS 19 HZ1 LYS 19 5.558 9.866 -29.427 148 HZ2 LYS 19 HZ2 LYS 19 5.975 11.186 -28.448 149 HZ3 LYS 19 HZ3 LYS 19 4.376 10.774 -28.663 150 H GLU 20 HN GLU 20 7.767 11.188 -22.615 151 HA GLU 20 HA GLU 20 6.530 13.259 -24.108 152 HB2 GLU 20 HB1 GLU 20 6.259 12.797 -21.684 153 HB3 GLU 20 HB2 GLU 20 7.999 13.091 -21.424 154 HG2 GLU 20 HG1 GLU 20 7.699 15.527 -21.917 155 HG3 GLU 20 HG2 GLU 20 5.935 15.247 -22.239 156 H LEU 21 HN LEU 21 9.883 12.917 -22.787 157 HA LEU 21 HA LEU 21 10.895 15.206 -24.055 158 HB2 LEU 21 HB1 LEU 21 11.759 14.066 -22.018 159 HB3 LEU 21 HB2 LEU 21 12.347 12.702 -22.996 160 HG LEU 21 HG LEU 21 13.283 15.576 -23.544 161 HD11 LEU 21 HD11 LEU 21 14.431 13.666 -21.412 162 HD12 LEU 21 HD12 LEU 21 13.545 15.206 -21.098 163 HD13 LEU 21 HD13 LEU 21 15.151 15.242 -21.920 164 HD21 LEU 21 HD21 LEU 21 14.659 12.823 -23.874 165 HD22 LEU 21 HD22 LEU 21 15.436 14.417 -24.195 166 HD23 LEU 21 HD23 LEU 21 14.057 13.880 -25.208 167 H ALA 22 HN ALA 22 11.072 11.733 -25.060 168 HA ALA 22 HA ALA 22 12.464 12.566 -27.484 169 HB1 ALA 22 HB1 ALA 22 11.797 9.751 -26.467 170 HB2 ALA 22 HB2 ALA 22 12.953 10.193 -27.785 171 HB3 ALA 22 HB3 ALA 22 13.307 10.652 -26.080 172 H SER 23 HN SER 23 9.628 13.267 -27.121 173 HA SER 23 HA SER 23 7.880 11.418 -28.065 174 HB2 SER 23 HB1 SER 23 7.326 13.608 -26.890 175 HB3 SER 23 HB2 SER 23 7.515 14.451 -28.459 176 HG SER 23 HG1 SER 23 5.374 13.923 -28.079 177 H THR 24 HN THR 24 9.351 13.972 -30.140 178 HA THR 24 HA THR 24 8.113 13.227 -32.506 179 HB THR 24 HB THR 24 10.934 14.393 -32.293 180 HG1 THR 24 HG1 THR 24 9.814 16.376 -32.181 181 HG21 THR 24 HG21 THR 24 10.153 15.662 -34.330 182 HG22 THR 24 HG22 THR 24 8.542 14.863 -34.219 183 HG23 THR 24 HG23 THR 24 10.005 13.893 -34.618 184 H TYR 25 HN TYR 25 11.201 12.126 -31.073 185 HA TYR 25 HA TYR 25 12.065 10.712 -33.366 186 HB2 TYR 25 HB1 TYR 25 12.940 10.376 -30.425 187 HB3 TYR 25 HB2 TYR 25 13.881 9.879 -31.886 188 HD1 TYR 25 HD1 TYR 25 14.270 11.829 -33.663 189 HD2 TYR 25 HD2 TYR 25 13.398 12.462 -29.504 190 HE1 TYR 25 HE1 TYR 25 15.197 14.116 -33.818 191 HE2 TYR 25 HE2 TYR 25 14.318 14.762 -29.665 192 HH TYR 25 HH TYR 25 15.682 16.020 -32.708 193 H LEU 26 HN LEU 26 10.362 9.672 -30.417 194 HA LEU 26 HA LEU 26 10.374 6.888 -31.347 195 HB2 LEU 26 HB1 LEU 26 9.874 8.334 -28.726 196 HB3 LEU 26 HB2 LEU 26 9.136 6.719 -28.958 197 HG LEU 26 HG LEU 26 11.282 5.660 -29.325 198 HD11 LEU 26 HD11 LEU 26 12.548 8.434 -28.896 199 HD12 LEU 26 HD12 LEU 26 12.661 7.401 -30.371 200 HD13 LEU 26 HD13 LEU 26 13.449 6.870 -28.846 201 HD21 LEU 26 HD21 LEU 26 10.369 5.873 -27.011 202 HD22 LEU 26 HD22 LEU 26 11.257 7.432 -26.798 203 HD23 LEU 26 HD23 LEU 26 12.174 5.895 -27.008 204 H HIS 27 HN HIS 27 8.515 9.379 -32.216 205 HA HIS 27 HA HIS 27 6.422 9.697 -32.863 206 HB2 HIS 27 HB1 HIS 27 6.933 6.820 -33.772 207 HB3 HIS 27 HB2 HIS 27 5.606 7.863 -34.427 208 HD2 HIS 27 HD2 HIS 27 9.466 7.391 -34.906 209 HE1 HIS 27 HE1 HIS 27 8.269 11.026 -36.737 210 HE2 HIS 27 HE2 HIS 27 10.188 9.373 -36.391 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 1.205 0.161 0.438 2 HA2 GLY 1 HA1 GLY 1 1.123 2.087 -1.180 3 HA3 GLY 1 HA2 GLY 1 1.765 2.523 0.457 4 H ILE 2 HN ILE 2 4.128 0.817 -0.227 5 HA ILE 2 HA ILE 2 5.886 2.875 -0.813 6 HB ILE 2 HB ILE 2 6.480 0.925 0.489 7 HG12 ILE 2 HG11 ILE 2 8.340 1.225 -1.945 8 HG13 ILE 2 HG12 ILE 2 8.208 2.409 -0.605 9 HG21 ILE 2 HG21 ILE 2 5.292 -0.828 -0.915 10 HG22 ILE 2 HG22 ILE 2 6.585 -0.656 -2.169 11 HG23 ILE 2 HG23 ILE 2 6.986 -1.257 -0.528 12 HD11 ILE 2 HD1 ILE 2 8.898 0.609 1.039 13 HD12 ILE 2 HD2 ILE 2 9.110 -0.539 -0.331 14 HD13 ILE 2 HD3 ILE 2 10.149 0.922 -0.216 15 H GLY 3 HN GLY 3 4.495 0.540 -3.072 16 HA2 GLY 3 HA1 GLY 3 6.062 1.112 -5.334 17 HA3 GLY 3 HA2 GLY 3 4.355 0.551 -5.327 18 H GLY 4 HN GLY 4 3.380 2.973 -3.940 19 HA2 GLY 4 HA1 GLY 4 3.088 4.685 -6.260 20 HA3 GLY 4 HA2 GLY 4 2.320 4.839 -4.642 21 H LYS 5 HN LYS 5 5.405 4.491 -3.821 22 HA LYS 5 HA LYS 5 6.078 7.347 -4.133 23 HB2 LYS 5 HB1 LYS 5 6.069 6.267 -1.823 24 HB3 LYS 5 HB2 LYS 5 7.377 5.188 -2.369 25 HG2 LYS 5 HG1 LYS 5 8.338 6.966 -1.065 26 HG3 LYS 5 HG2 LYS 5 8.845 7.233 -2.764 27 HD2 LYS 5 HD1 LYS 5 7.150 8.992 -3.067 28 HD3 LYS 5 HD2 LYS 5 6.428 8.672 -1.470 29 HE2 LYS 5 HE1 LYS 5 9.307 9.740 -1.939 30 HE3 LYS 5 HE2 LYS 5 7.867 10.767 -1.567 31 HZ1 LYS 5 HZ1 LYS 5 7.607 9.571 0.509 32 HZ2 LYS 5 HZ2 LYS 5 9.143 10.278 0.409 33 HZ3 LYS 5 HZ3 LYS 5 8.960 8.609 0.173 34 H ILE 6 HN ILE 6 7.632 4.068 -4.431 35 HA ILE 6 HA ILE 6 9.843 5.189 -5.787 36 HB ILE 6 HB ILE 6 10.714 2.979 -6.081 37 HG12 ILE 6 HG11 ILE 6 8.037 1.972 -4.931 38 HG13 ILE 6 HG12 ILE 6 8.611 1.727 -6.616 39 HG21 ILE 6 HG21 ILE 6 9.453 3.387 -3.286 40 HG22 ILE 6 HG22 ILE 6 10.981 2.527 -3.680 41 HG23 ILE 6 HG23 ILE 6 10.877 4.302 -3.921 42 HD11 ILE 6 HD1 ILE 6 9.023 -0.322 -5.328 43 HD12 ILE 6 HD2 ILE 6 10.607 0.438 -5.724 44 HD13 ILE 6 HD3 ILE 6 9.921 0.582 -4.064 45 H LEU 7 HN LEU 7 6.943 3.507 -7.208 46 HA LEU 7 HA LEU 7 8.239 3.469 -9.778 47 HB2 LEU 7 HB1 LEU 7 5.305 2.999 -9.049 48 HB3 LEU 7 HB2 LEU 7 6.042 2.675 -10.644 49 HG LEU 7 HG LEU 7 6.775 1.280 -8.002 50 HD11 LEU 7 HD11 LEU 7 4.514 0.686 -8.824 51 HD12 LEU 7 HD12 LEU 7 5.644 -0.705 -8.992 52 HD13 LEU 7 HD13 LEU 7 5.183 0.268 -10.442 53 HD21 LEU 7 HD21 LEU 7 8.760 1.324 -9.490 54 HD22 LEU 7 HD22 LEU 7 7.756 0.744 -10.880 55 HD23 LEU 7 HD23 LEU 7 8.054 -0.327 -9.452 56 H SER 8 HN SER 8 6.298 5.748 -8.015 57 HA SER 8 HA SER 8 5.438 7.328 -10.171 58 HB2 SER 8 HB1 SER 8 5.959 8.101 -7.246 59 HB3 SER 8 HB2 SER 8 4.973 9.046 -8.431 60 HG SER 8 HG1 SER 8 3.930 7.397 -6.924 61 H GLY 9 HN GLY 9 8.585 6.990 -8.744 62 HA2 GLY 9 HA1 GLY 9 9.491 9.304 -10.395 63 HA3 GLY 9 HA2 GLY 9 10.457 8.401 -9.181 64 H LEU 10 HN LEU 10 10.104 5.765 -9.881 65 HA LEU 10 HA LEU 10 11.978 5.626 -11.936 66 HB2 LEU 10 HB1 LEU 10 11.769 4.126 -9.987 67 HB3 LEU 10 HB2 LEU 10 10.260 3.434 -10.628 68 HG LEU 10 HG LEU 10 12.393 2.065 -10.788 69 HD11 LEU 10 HD11 LEU 10 11.908 1.007 -12.905 70 HD12 LEU 10 HD12 LEU 10 11.045 2.458 -13.519 71 HD13 LEU 10 HD13 LEU 10 10.352 1.518 -12.129 72 HD21 LEU 10 HD21 LEU 10 14.013 2.436 -12.592 73 HD22 LEU 10 HD22 LEU 10 13.960 3.874 -11.513 74 HD23 LEU 10 HD23 LEU 10 13.153 3.921 -13.126 75 H LYS 11 HN LYS 11 8.456 4.735 -12.157 76 HA LYS 11 HA LYS 11 8.816 3.928 -14.921 77 HB2 LYS 11 HB1 LYS 11 6.366 4.195 -13.111 78 HB3 LYS 11 HB2 LYS 11 6.216 3.852 -14.854 79 HG2 LYS 11 HG1 LYS 11 7.814 2.073 -12.919 80 HG3 LYS 11 HG2 LYS 11 6.091 1.828 -13.374 81 HD2 LYS 11 HD1 LYS 11 6.767 1.792 -15.814 82 HD3 LYS 11 HD2 LYS 11 8.484 1.784 -15.338 83 HE2 LYS 11 HE1 LYS 11 6.381 -0.382 -14.592 84 HE3 LYS 11 HE2 LYS 11 7.572 -0.502 -15.947 85 HZ1 LYS 11 HZ1 LYS 11 8.231 -0.223 -13.058 86 HZ2 LYS 11 HZ2 LYS 11 9.352 -0.317 -14.330 87 HZ3 LYS 11 HZ3 LYS 11 8.347 -1.639 -13.988 88 H THR 12 HN THR 12 7.570 6.772 -13.159 89 HA THR 12 HA THR 12 6.678 8.238 -15.307 90 HB THR 12 HB THR 12 8.119 9.339 -12.850 91 HG1 THR 12 HG1 THR 12 6.242 9.155 -11.870 92 HG21 THR 12 HG21 THR 12 7.554 11.079 -14.624 93 HG22 THR 12 HG22 THR 12 6.490 11.245 -13.186 94 HG23 THR 12 HG23 THR 12 5.860 10.453 -14.672 95 H ALA 13 HN ALA 13 10.094 8.152 -13.982 96 HA ALA 13 HA ALA 13 11.104 9.853 -15.988 97 HB1 ALA 13 HB1 ALA 13 13.316 8.878 -15.310 98 HB2 ALA 13 HB2 ALA 13 12.311 9.294 -13.875 99 HB3 ALA 13 HB3 ALA 13 12.448 7.581 -14.398 100 H LEU 14 HN LEU 14 10.916 6.256 -15.866 101 HA LEU 14 HA LEU 14 12.272 5.771 -18.223 102 HB2 LEU 14 HB1 LEU 14 11.818 4.147 -16.374 103 HB3 LEU 14 HB2 LEU 14 10.090 4.128 -16.824 104 HG LEU 14 HG LEU 14 10.718 3.120 -19.062 105 HD11 LEU 14 HD11 LEU 14 13.022 2.155 -19.346 106 HD12 LEU 14 HD12 LEU 14 13.557 3.000 -17.849 107 HD13 LEU 14 HD13 LEU 14 13.058 3.951 -19.298 108 HD21 LEU 14 HD21 LEU 14 11.740 1.597 -16.588 109 HD22 LEU 14 HD22 LEU 14 11.275 0.864 -18.168 110 HD23 LEU 14 HD23 LEU 14 10.022 1.686 -17.158 111 H LYS 15 HN LYS 15 8.696 6.139 -17.840 112 HA LYS 15 HA LYS 15 8.558 6.436 -20.751 113 HB2 LYS 15 HB1 LYS 15 8.113 3.919 -19.622 114 HB3 LYS 15 HB2 LYS 15 6.470 4.596 -19.660 115 HG2 LYS 15 HG1 LYS 15 6.584 3.520 -21.693 116 HG3 LYS 15 HG2 LYS 15 6.999 5.164 -22.215 117 HD2 LYS 15 HD1 LYS 15 9.386 3.479 -21.402 118 HD3 LYS 15 HD2 LYS 15 8.382 2.708 -22.651 119 HE2 LYS 15 HE1 LYS 15 10.189 3.876 -23.759 120 HE3 LYS 15 HE2 LYS 15 8.640 4.718 -24.160 121 HZ1 LYS 15 HZ1 LYS 15 10.399 5.579 -21.918 122 HZ2 LYS 15 HZ2 LYS 15 9.157 6.426 -22.663 123 HZ3 LYS 15 HZ3 LYS 15 10.586 6.185 -23.485 124 H GLY 16 HN GLY 16 7.940 8.071 -18.153 125 HA2 GLY 16 HA1 GLY 16 5.529 9.270 -19.405 126 HA3 GLY 16 HA2 GLY 16 6.233 9.666 -17.789 127 H ALA 17 HN ALA 17 8.382 10.624 -17.761 128 HA ALA 17 HA ALA 17 8.641 12.808 -19.473 129 HB1 ALA 17 HB1 ALA 17 9.527 12.700 -17.129 130 HB2 ALA 17 HB2 ALA 17 10.735 11.465 -17.648 131 HB3 ALA 17 HB3 ALA 17 10.827 13.151 -18.288 132 H ALA 18 HN ALA 18 10.503 9.684 -19.538 133 HA ALA 18 HA ALA 18 11.733 10.506 -22.035 134 HB1 ALA 18 HB1 ALA 18 11.899 7.863 -20.490 135 HB2 ALA 18 HB2 ALA 18 12.942 8.360 -21.883 136 HB3 ALA 18 HB3 ALA 18 13.024 9.251 -20.324 137 H LYS 19 HN LYS 19 8.590 9.689 -21.608 138 HA LYS 19 HA LYS 19 8.561 8.495 -24.308 139 HB2 LYS 19 HB1 LYS 19 6.821 7.739 -22.537 140 HB3 LYS 19 HB2 LYS 19 6.082 9.332 -22.714 141 HG2 LYS 19 HG1 LYS 19 6.548 7.142 -24.861 142 HG3 LYS 19 HG2 LYS 19 4.992 7.468 -24.062 143 HD2 LYS 19 HD1 LYS 19 6.360 9.447 -26.024 144 HD3 LYS 19 HD2 LYS 19 5.276 8.144 -26.515 145 HE2 LYS 19 HE1 LYS 19 4.132 10.374 -26.433 146 HE3 LYS 19 HE2 LYS 19 3.337 9.123 -25.398 147 HZ1 LYS 19 HZ1 LYS 19 5.448 10.591 -24.143 148 HZ2 LYS 19 HZ2 LYS 19 4.010 10.159 -23.512 149 HZ3 LYS 19 HZ3 LYS 19 4.141 11.579 -24.402 150 H GLU 20 HN GLU 20 7.490 11.459 -22.409 151 HA GLU 20 HA GLU 20 6.811 12.892 -24.647 152 HB2 GLU 20 HB1 GLU 20 8.032 14.265 -22.200 153 HB3 GLU 20 HB2 GLU 20 6.819 14.882 -23.360 154 HG2 GLU 20 HG1 GLU 20 6.444 13.036 -20.966 155 HG3 GLU 20 HG2 GLU 20 5.551 14.519 -21.433 156 H LEU 21 HN LEU 21 10.039 12.917 -23.072 157 HA LEU 21 HA LEU 21 11.248 14.737 -24.792 158 HB2 LEU 21 HB1 LEU 21 12.135 13.903 -22.589 159 HB3 LEU 21 HB2 LEU 21 12.441 12.307 -23.333 160 HG LEU 21 HG LEU 21 14.117 13.375 -24.885 161 HD11 LEU 21 HD11 LEU 21 13.582 15.924 -23.223 162 HD12 LEU 21 HD12 LEU 21 13.263 15.701 -24.988 163 HD13 LEU 21 HD13 LEU 21 14.950 15.687 -24.375 164 HD21 LEU 21 HD21 LEU 21 15.870 13.735 -23.160 165 HD22 LEU 21 HD22 LEU 21 14.830 12.325 -22.738 166 HD23 LEU 21 HD23 LEU 21 14.605 13.902 -21.886 167 H ALA 22 HN ALA 22 10.551 11.321 -25.327 168 HA ALA 22 HA ALA 22 12.260 11.249 -27.724 169 HB1 ALA 22 HB1 ALA 22 12.489 9.422 -26.024 170 HB2 ALA 22 HB2 ALA 22 10.726 9.075 -26.167 171 HB3 ALA 22 HB3 ALA 22 11.824 8.775 -27.568 172 H SER 23 HN SER 23 9.187 12.290 -27.087 173 HA SER 23 HA SER 23 7.563 10.494 -28.393 174 HB2 SER 23 HB1 SER 23 6.936 12.389 -26.726 175 HB3 SER 23 HB2 SER 23 6.767 13.443 -28.159 176 HG SER 23 HG1 SER 23 5.292 11.819 -28.966 177 H THR 24 HN THR 24 9.141 13.352 -29.810 178 HA THR 24 HA THR 24 7.683 13.030 -32.294 179 HB THR 24 HB THR 24 10.038 14.917 -31.932 180 HG1 THR 24 HG1 THR 24 8.615 16.358 -30.976 181 HG21 THR 24 HG21 THR 24 7.209 15.173 -33.197 182 HG22 THR 24 HG22 THR 24 8.718 14.842 -34.122 183 HG23 THR 24 HG23 THR 24 8.513 16.415 -33.278 184 H TYR 25 HN TYR 25 10.188 11.346 -31.013 185 HA TYR 25 HA TYR 25 11.738 11.230 -33.558 186 HB2 TYR 25 HB1 TYR 25 12.771 10.832 -30.671 187 HB3 TYR 25 HB2 TYR 25 13.769 10.891 -32.179 188 HD1 TYR 25 HD1 TYR 25 13.383 13.092 -33.646 189 HD2 TYR 25 HD2 TYR 25 12.549 12.804 -29.438 190 HE1 TYR 25 HE1 TYR 25 13.461 15.554 -33.461 191 HE2 TYR 25 HE2 TYR 25 12.621 15.268 -29.256 192 HH TYR 25 HH TYR 25 13.309 17.329 -32.091 193 H LEU 26 HN LEU 26 10.570 9.353 -30.730 194 HA LEU 26 HA LEU 26 11.033 6.863 -32.261 195 HB2 LEU 26 HB1 LEU 26 10.686 7.507 -29.278 196 HB3 LEU 26 HB2 LEU 26 10.494 5.843 -29.911 197 HG LEU 26 HG LEU 26 12.655 6.105 -28.897 198 HD11 LEU 26 HD11 LEU 26 12.966 5.818 -31.949 199 HD12 LEU 26 HD12 LEU 26 12.369 4.533 -30.834 200 HD13 LEU 26 HD13 LEU 26 14.057 5.154 -30.685 201 HD21 LEU 26 HD21 LEU 26 14.471 7.499 -29.721 202 HD22 LEU 26 HD22 LEU 26 13.064 8.573 -29.356 203 HD23 LEU 26 HD23 LEU 26 13.460 8.132 -31.061 204 H HIS 27 HN HIS 27 8.677 9.128 -31.834 205 HA HIS 27 HA HIS 27 6.496 9.204 -31.993 206 HB2 HIS 27 HB1 HIS 27 6.936 6.812 -33.838 207 HB3 HIS 27 HB2 HIS 27 5.626 8.060 -33.963 208 HD2 HIS 27 HD2 HIS 27 9.221 7.469 -35.242 209 HE1 HIS 27 HE1 HIS 27 8.591 11.662 -35.262 210 HE2 HIS 27 HE2 HIS 27 10.156 9.769 -35.948 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 1.112 0.099 0.315 2 HA2 GLY 1 HA1 GLY 1 1.065 2.009 -1.320 3 HA3 GLY 1 HA2 GLY 1 1.689 2.459 0.319 4 H ILE 2 HN ILE 2 4.035 0.698 -0.369 5 HA ILE 2 HA ILE 2 5.833 2.735 -0.898 6 HB ILE 2 HB ILE 2 6.386 0.748 0.364 7 HG12 ILE 2 HG11 ILE 2 8.269 1.074 -2.050 8 HG13 ILE 2 HG12 ILE 2 8.145 2.230 -0.686 9 HG21 ILE 2 HG21 ILE 2 6.488 -0.774 -2.328 10 HG22 ILE 2 HG22 ILE 2 6.867 -1.418 -0.698 11 HG23 ILE 2 HG23 ILE 2 5.183 -0.955 -1.087 12 HD11 ILE 2 HD1 ILE 2 8.796 0.386 0.925 13 HD12 ILE 2 HD2 ILE 2 9.000 -0.736 -0.468 14 HD13 ILE 2 HD3 ILE 2 10.060 0.706 -0.315 15 H GLY 3 HN GLY 3 4.431 0.471 -3.229 16 HA2 GLY 3 HA1 GLY 3 6.033 1.073 -5.456 17 HA3 GLY 3 HA2 GLY 3 4.318 0.540 -5.485 18 H GLY 4 HN GLY 4 3.352 2.939 -4.060 19 HA2 GLY 4 HA1 GLY 4 3.128 4.710 -6.344 20 HA3 GLY 4 HA2 GLY 4 2.331 4.838 -4.738 21 H LYS 5 HN LYS 5 5.390 4.428 -3.860 22 HA LYS 5 HA LYS 5 6.110 7.280 -4.091 23 HB2 LYS 5 HB1 LYS 5 6.048 6.141 -1.810 24 HB3 LYS 5 HB2 LYS 5 7.349 5.058 -2.363 25 HG2 LYS 5 HG1 LYS 5 8.314 6.787 -0.998 26 HG3 LYS 5 HG2 LYS 5 8.853 7.088 -2.681 27 HD2 LYS 5 HD1 LYS 5 7.189 8.879 -2.968 28 HD3 LYS 5 HD2 LYS 5 6.439 8.533 -1.389 29 HE2 LYS 5 HE1 LYS 5 9.341 9.566 -1.795 30 HE3 LYS 5 HE2 LYS 5 7.912 10.607 -1.417 31 HZ1 LYS 5 HZ1 LYS 5 8.949 8.392 0.284 32 HZ2 LYS 5 HZ2 LYS 5 7.606 9.366 0.627 33 HZ3 LYS 5 HZ3 LYS 5 9.154 10.052 0.563 34 H ILE 6 HN ILE 6 7.605 3.981 -4.473 35 HA ILE 6 HA ILE 6 9.861 5.112 -5.749 36 HB ILE 6 HB ILE 6 10.711 2.903 -6.092 37 HG12 ILE 6 HG11 ILE 6 8.005 1.894 -5.016 38 HG13 ILE 6 HG12 ILE 6 8.605 1.690 -6.697 39 HG21 ILE 6 HG21 ILE 6 9.406 3.248 -3.309 40 HG22 ILE 6 HG22 ILE 6 10.931 2.381 -3.700 41 HG23 ILE 6 HG23 ILE 6 10.851 4.164 -3.892 42 HD11 ILE 6 HD1 ILE 6 10.572 0.356 -5.809 43 HD12 ILE 6 HD2 ILE 6 9.859 0.459 -4.158 44 HD13 ILE 6 HD3 ILE 6 8.974 -0.398 -5.463 45 H LEU 7 HN LEU 7 6.974 3.495 -7.277 46 HA LEU 7 HA LEU 7 8.316 3.478 -9.816 47 HB2 LEU 7 HB1 LEU 7 5.357 3.078 -9.147 48 HB3 LEU 7 HB2 LEU 7 6.113 2.755 -10.736 49 HG LEU 7 HG LEU 7 6.784 1.308 -8.106 50 HD11 LEU 7 HD11 LEU 7 5.598 -0.630 -9.123 51 HD12 LEU 7 HD12 LEU 7 5.176 0.371 -10.563 52 HD13 LEU 7 HD13 LEU 7 4.503 0.791 -8.946 53 HD21 LEU 7 HD21 LEU 7 8.771 1.316 -9.606 54 HD22 LEU 7 HD22 LEU 7 7.742 0.767 -10.992 55 HD23 LEU 7 HD23 LEU 7 8.017 -0.316 -9.576 56 H SER 8 HN SER 8 6.407 5.758 -8.056 57 HA SER 8 HA SER 8 5.608 7.429 -10.149 58 HB2 SER 8 HB1 SER 8 6.144 8.083 -7.198 59 HB3 SER 8 HB2 SER 8 5.197 9.105 -8.350 60 HG SER 8 HG1 SER 8 4.082 7.436 -6.919 61 H GLY 9 HN GLY 9 8.758 6.967 -8.759 62 HA2 GLY 9 HA1 GLY 9 9.691 9.247 -10.451 63 HA3 GLY 9 HA2 GLY 9 10.657 8.373 -9.217 64 H LEU 10 HN LEU 10 10.251 5.745 -9.801 65 HA LEU 10 HA LEU 10 12.165 5.445 -11.758 66 HB2 LEU 10 HB1 LEU 10 11.760 4.090 -9.707 67 HB3 LEU 10 HB2 LEU 10 10.343 3.329 -10.467 68 HG LEU 10 HG LEU 10 12.504 2.007 -10.302 69 HD11 LEU 10 HD11 LEU 10 12.286 0.829 -12.404 70 HD12 LEU 10 HD12 LEU 10 11.450 2.238 -13.170 71 HD13 LEU 10 HD13 LEU 10 10.648 1.325 -11.815 72 HD21 LEU 10 HD21 LEU 10 13.493 3.744 -12.647 73 HD22 LEU 10 HD22 LEU 10 14.314 2.313 -11.930 74 HD23 LEU 10 HD23 LEU 10 14.110 3.809 -10.953 75 H LYS 11 HN LYS 11 8.619 4.873 -12.160 76 HA LYS 11 HA LYS 11 9.193 4.119 -14.970 77 HB2 LYS 11 HB1 LYS 11 6.865 3.575 -13.094 78 HB3 LYS 11 HB2 LYS 11 6.650 3.461 -14.867 79 HG2 LYS 11 HG1 LYS 11 8.864 1.934 -13.395 80 HG3 LYS 11 HG2 LYS 11 7.216 1.267 -13.631 81 HD2 LYS 11 HD1 LYS 11 7.356 1.347 -16.027 82 HD3 LYS 11 HD2 LYS 11 8.872 2.276 -16.033 83 HE2 LYS 11 HE1 LYS 11 8.636 -0.615 -14.935 84 HE3 LYS 11 HE2 LYS 11 9.111 -0.199 -16.630 85 HZ1 LYS 11 HZ1 LYS 11 11.032 -0.531 -15.226 86 HZ2 LYS 11 HZ2 LYS 11 10.528 0.699 -14.170 87 HZ3 LYS 11 HZ3 LYS 11 10.957 1.075 -15.760 88 H THR 12 HN THR 12 7.788 6.690 -12.989 89 HA THR 12 HA THR 12 6.615 8.134 -15.072 90 HB THR 12 HB THR 12 8.138 9.253 -12.680 91 HG1 THR 12 HG1 THR 12 6.248 9.133 -11.691 92 HG21 THR 12 HG21 THR 12 5.861 10.400 -14.457 93 HG22 THR 12 HG22 THR 12 7.556 11.022 -14.409 94 HG23 THR 12 HG23 THR 12 6.503 11.169 -12.963 95 H ALA 13 HN ALA 13 10.097 7.994 -14.038 96 HA ALA 13 HA ALA 13 11.027 9.830 -15.908 97 HB1 ALA 13 HB1 ALA 13 12.343 7.260 -14.826 98 HB2 ALA 13 HB2 ALA 13 13.216 8.632 -15.615 99 HB3 ALA 13 HB3 ALA 13 12.382 8.875 -14.040 100 H LEU 14 HN LEU 14 10.450 6.301 -16.349 101 HA LEU 14 HA LEU 14 11.445 6.332 -19.031 102 HB2 LEU 14 HB1 LEU 14 11.534 4.370 -17.485 103 HB3 LEU 14 HB2 LEU 14 9.744 4.279 -17.509 104 HG LEU 14 HG LEU 14 9.835 3.780 -19.988 105 HD11 LEU 14 HD11 LEU 14 12.893 3.711 -19.555 106 HD12 LEU 14 HD12 LEU 14 11.982 4.854 -20.612 107 HD13 LEU 14 HD13 LEU 14 12.025 3.108 -21.013 108 HD21 LEU 14 HD21 LEU 14 10.687 1.463 -19.769 109 HD22 LEU 14 HD22 LEU 14 9.711 1.932 -18.329 110 HD23 LEU 14 HD23 LEU 14 11.529 1.893 -18.237 111 H LYS 15 HN LYS 15 8.033 6.111 -17.770 112 HA LYS 15 HA LYS 15 7.128 6.295 -20.575 113 HB2 LYS 15 HB1 LYS 15 6.498 4.188 -19.463 114 HB3 LYS 15 HB2 LYS 15 5.927 5.100 -18.041 115 HG2 LYS 15 HG1 LYS 15 4.002 4.282 -19.050 116 HG3 LYS 15 HG2 LYS 15 3.974 6.004 -19.378 117 HD2 LYS 15 HD1 LYS 15 4.349 3.625 -21.229 118 HD3 LYS 15 HD2 LYS 15 3.127 4.915 -21.321 119 HE2 LYS 15 HE1 LYS 15 6.111 5.151 -22.093 120 HE3 LYS 15 HE2 LYS 15 4.755 4.865 -23.223 121 HZ1 LYS 15 HZ1 LYS 15 4.056 7.129 -23.027 122 HZ2 LYS 15 HZ2 LYS 15 5.722 7.061 -23.039 123 HZ3 LYS 15 HZ3 LYS 15 4.906 7.430 -21.639 124 H GLY 16 HN GLY 16 7.599 8.353 -18.033 125 HA2 GLY 16 HA1 GLY 16 5.447 10.127 -19.066 126 HA3 GLY 16 HA2 GLY 16 6.376 10.339 -17.535 127 H ALA 17 HN ALA 17 8.658 10.804 -17.694 128 HA ALA 17 HA ALA 17 8.983 12.924 -19.474 129 HB1 ALA 17 HB1 ALA 17 10.022 12.782 -17.208 130 HB2 ALA 17 HB2 ALA 17 11.098 11.456 -17.788 131 HB3 ALA 17 HB3 ALA 17 11.260 13.120 -18.469 132 H ALA 18 HN ALA 18 10.815 9.749 -19.638 133 HA ALA 18 HA ALA 18 12.376 10.672 -21.748 134 HB1 ALA 18 HB1 ALA 18 12.998 8.798 -20.226 135 HB2 ALA 18 HB2 ALA 18 11.713 7.776 -20.964 136 HB3 ALA 18 HB3 ALA 18 13.126 8.311 -21.955 137 H LYS 19 HN LYS 19 9.494 8.474 -22.022 138 HA LYS 19 HA LYS 19 9.770 8.344 -24.836 139 HB2 LYS 19 HB1 LYS 19 8.404 6.854 -23.100 140 HB3 LYS 19 HB2 LYS 19 7.048 7.903 -23.590 141 HG2 LYS 19 HG1 LYS 19 8.847 6.118 -25.373 142 HG3 LYS 19 HG2 LYS 19 7.181 5.734 -24.866 143 HD2 LYS 19 HD1 LYS 19 8.050 7.937 -26.847 144 HD3 LYS 19 HD2 LYS 19 7.321 6.378 -27.239 145 HE2 LYS 19 HE1 LYS 19 5.227 7.207 -27.121 146 HE3 LYS 19 HE2 LYS 19 5.479 7.637 -25.390 147 HZ1 LYS 19 HZ1 LYS 19 6.762 9.629 -26.530 148 HZ2 LYS 19 HZ2 LYS 19 5.132 9.671 -26.201 149 HZ3 LYS 19 HZ3 LYS 19 5.660 9.348 -27.775 150 H GLU 20 HN GLU 20 7.755 10.590 -22.792 151 HA GLU 20 HA GLU 20 6.565 11.663 -25.148 152 HB2 GLU 20 HB1 GLU 20 6.362 12.365 -22.241 153 HB3 GLU 20 HB2 GLU 20 5.690 13.434 -23.512 154 HG2 GLU 20 HG1 GLU 20 3.978 11.852 -22.593 155 HG3 GLU 20 HG2 GLU 20 4.199 11.683 -24.370 156 H LEU 21 HN LEU 21 9.405 12.746 -23.190 157 HA LEU 21 HA LEU 21 9.817 15.097 -24.686 158 HB2 LEU 21 HB1 LEU 21 10.921 14.572 -22.497 159 HB3 LEU 21 HB2 LEU 21 11.835 13.256 -23.285 160 HG LEU 21 HG LEU 21 12.993 14.955 -24.743 161 HD11 LEU 21 HD11 LEU 21 12.852 17.389 -24.132 162 HD12 LEU 21 HD12 LEU 21 11.479 17.025 -23.019 163 HD13 LEU 21 HD13 LEU 21 11.303 16.772 -24.799 164 HD21 LEU 21 HD21 LEU 21 14.439 15.891 -22.948 165 HD22 LEU 21 HD22 LEU 21 14.011 14.172 -22.608 166 HD23 LEU 21 HD23 LEU 21 13.180 15.503 -21.714 167 H ALA 22 HN ALA 22 10.882 11.713 -25.281 168 HA ALA 22 HA ALA 22 12.246 12.533 -27.708 169 HB1 ALA 22 HB1 ALA 22 12.951 10.164 -27.800 170 HB2 ALA 22 HB2 ALA 22 13.207 10.817 -26.140 171 HB3 ALA 22 HB3 ALA 22 11.793 9.756 -26.472 172 H SER 23 HN SER 23 9.115 12.635 -27.385 173 HA SER 23 HA SER 23 8.135 10.451 -28.861 174 HB2 SER 23 HB1 SER 23 6.801 11.976 -27.252 175 HB3 SER 23 HB2 SER 23 6.604 13.099 -28.627 176 HG SER 23 HG1 SER 23 5.649 11.344 -29.769 177 H THR 24 HN THR 24 9.491 13.465 -30.081 178 HA THR 24 HA THR 24 8.313 13.332 -32.641 179 HB THR 24 HB THR 24 11.116 14.407 -32.085 180 HG1 THR 24 HG1 THR 24 10.025 16.311 -31.476 181 HG21 THR 24 HG21 THR 24 10.341 16.184 -33.702 182 HG22 THR 24 HG22 THR 24 8.721 15.397 -33.800 183 HG23 THR 24 HG23 THR 24 10.178 14.560 -34.449 184 H TYR 25 HN TYR 25 10.767 11.421 -31.118 185 HA TYR 25 HA TYR 25 11.877 10.547 -33.728 186 HB2 TYR 25 HB1 TYR 25 13.200 10.279 -30.957 187 HB3 TYR 25 HB2 TYR 25 13.987 10.158 -32.578 188 HD1 TYR 25 HD1 TYR 25 13.626 12.398 -34.080 189 HD2 TYR 25 HD2 TYR 25 13.430 12.235 -29.792 190 HE1 TYR 25 HE1 TYR 25 14.018 14.845 -33.964 191 HE2 TYR 25 HE2 TYR 25 13.809 14.677 -29.676 192 HH TYR 25 HH TYR 25 14.200 16.563 -30.840 193 H LEU 26 HN LEU 26 10.697 9.436 -30.539 194 HA LEU 26 HA LEU 26 10.810 6.635 -31.461 195 HB2 LEU 26 HB1 LEU 26 10.696 8.029 -28.738 196 HB3 LEU 26 HB2 LEU 26 10.196 6.317 -28.889 197 HG LEU 26 HG LEU 26 12.454 6.497 -28.052 198 HD11 LEU 26 HD11 LEU 26 13.521 4.827 -29.515 199 HD12 LEU 26 HD12 LEU 26 12.433 5.264 -30.877 200 HD13 LEU 26 HD13 LEU 26 11.750 4.496 -29.395 201 HD21 LEU 26 HD21 LEU 26 14.383 7.235 -29.354 202 HD22 LEU 26 HD22 LEU 26 13.200 8.597 -29.248 203 HD23 LEU 26 HD23 LEU 26 13.347 7.632 -30.767 204 H HIS 27 HN HIS 27 8.627 9.071 -31.681 205 HA HIS 27 HA HIS 27 6.440 9.244 -31.814 206 HB2 HIS 27 HB1 HIS 27 6.807 6.493 -33.084 207 HB3 HIS 27 HB2 HIS 27 5.498 7.691 -33.463 208 HD2 HIS 27 HD2 HIS 27 9.122 6.883 -34.587 209 HE1 HIS 27 HE1 HIS 27 8.450 10.988 -35.405 210 HE2 HIS 27 HE2 HIS 27 10.044 9.021 -35.699 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 0.982 -0.153 0.016 2 HA2 GLY 1 HA1 GLY 1 0.878 1.778 -1.569 3 HA3 GLY 1 HA2 GLY 1 1.398 2.253 0.099 4 H ILE 2 HN ILE 2 3.875 0.610 -0.610 5 HA ILE 2 HA ILE 2 5.578 2.768 -1.025 6 HB ILE 2 HB ILE 2 6.233 0.767 0.164 7 HG12 ILE 2 HG11 ILE 2 8.094 1.240 -2.240 8 HG13 ILE 2 HG12 ILE 2 7.917 2.369 -0.858 9 HG21 ILE 2 HG21 ILE 2 6.404 -0.659 -2.576 10 HG22 ILE 2 HG22 ILE 2 6.817 -1.337 -0.970 11 HG23 ILE 2 HG23 ILE 2 5.112 -0.943 -1.341 12 HD11 ILE 2 HD1 ILE 2 8.910 -0.558 -0.693 13 HD12 ILE 2 HD2 ILE 2 9.907 0.923 -0.517 14 HD13 ILE 2 HD3 ILE 2 8.660 0.524 0.721 15 H GLY 3 HN GLY 3 4.324 0.508 -3.423 16 HA2 GLY 3 HA1 GLY 3 5.857 1.200 -5.655 17 HA3 GLY 3 HA2 GLY 3 4.158 0.621 -5.662 18 H GLY 4 HN GLY 4 3.203 2.975 -4.157 19 HA2 GLY 4 HA1 GLY 4 2.671 4.664 -6.418 20 HA3 GLY 4 HA2 GLY 4 2.056 4.808 -4.735 21 H LYS 5 HN LYS 5 5.281 4.651 -4.309 22 HA LYS 5 HA LYS 5 5.782 7.414 -5.229 23 HB2 LYS 5 HB1 LYS 5 6.911 8.111 -3.234 24 HB3 LYS 5 HB2 LYS 5 5.229 7.631 -2.916 25 HG2 LYS 5 HG1 LYS 5 6.205 6.757 -1.091 26 HG3 LYS 5 HG2 LYS 5 6.243 5.306 -2.133 27 HD2 LYS 5 HD1 LYS 5 8.630 5.679 -2.647 28 HD3 LYS 5 HD2 LYS 5 8.616 7.289 -1.887 29 HE2 LYS 5 HE1 LYS 5 8.192 4.621 -0.360 30 HE3 LYS 5 HE2 LYS 5 9.763 5.508 -0.486 31 HZ1 LYS 5 HZ1 LYS 5 8.602 6.032 1.558 32 HZ2 LYS 5 HZ2 LYS 5 7.249 6.585 0.699 33 HZ3 LYS 5 HZ3 LYS 5 8.723 7.406 0.577 34 H ILE 6 HN ILE 6 7.225 4.146 -4.673 35 HA ILE 6 HA ILE 6 9.704 5.120 -5.739 36 HB ILE 6 HB ILE 6 10.513 2.913 -5.927 37 HG12 ILE 6 HG11 ILE 6 7.738 1.945 -5.021 38 HG13 ILE 6 HG12 ILE 6 8.432 1.717 -6.664 39 HG21 ILE 6 HG21 ILE 6 10.508 4.227 -3.766 40 HG22 ILE 6 HG22 ILE 6 8.994 3.365 -3.276 41 HG23 ILE 6 HG23 ILE 6 10.526 2.449 -3.510 42 HD11 ILE 6 HD1 ILE 6 9.548 0.513 -4.048 43 HD12 ILE 6 HD2 ILE 6 8.718 -0.356 -5.383 44 HD13 ILE 6 HD3 ILE 6 10.334 0.383 -5.663 45 H LEU 7 HN LEU 7 6.859 3.533 -7.377 46 HA LEU 7 HA LEU 7 8.309 3.428 -9.853 47 HB2 LEU 7 HB1 LEU 7 5.311 3.147 -9.298 48 HB3 LEU 7 HB2 LEU 7 6.121 2.759 -10.845 49 HG LEU 7 HG LEU 7 6.630 1.352 -8.157 50 HD11 LEU 7 HD11 LEU 7 5.089 0.415 -10.657 51 HD12 LEU 7 HD12 LEU 7 4.366 0.900 -9.080 52 HD13 LEU 7 HD13 LEU 7 5.414 -0.564 -9.179 53 HD21 LEU 7 HD21 LEU 7 7.681 0.706 -10.990 54 HD22 LEU 7 HD22 LEU 7 7.859 -0.350 -9.542 55 HD23 LEU 7 HD23 LEU 7 8.675 1.251 -9.578 56 H SER 8 HN SER 8 6.360 5.780 -8.217 57 HA SER 8 HA SER 8 5.685 7.435 -10.331 58 HB2 SER 8 HB1 SER 8 6.190 8.209 -7.406 59 HB3 SER 8 HB2 SER 8 5.169 9.103 -8.601 60 HG SER 8 HG1 SER 8 4.016 7.572 -7.161 61 H GLY 9 HN GLY 9 8.800 6.977 -8.846 62 HA2 GLY 9 HA1 GLY 9 9.797 9.163 -10.621 63 HA3 GLY 9 HA2 GLY 9 10.726 8.347 -9.322 64 H LEU 10 HN LEU 10 10.298 5.700 -9.780 65 HA LEU 10 HA LEU 10 12.280 5.263 -11.631 66 HB2 LEU 10 HB1 LEU 10 11.803 4.066 -9.518 67 HB3 LEU 10 HB2 LEU 10 10.393 3.269 -10.249 68 HG LEU 10 HG LEU 10 12.577 1.973 -9.908 69 HD11 LEU 10 HD11 LEU 10 11.344 1.851 -12.713 70 HD12 LEU 10 HD12 LEU 10 10.706 1.065 -11.215 71 HD13 LEU 10 HD13 LEU 10 12.298 0.558 -11.885 72 HD21 LEU 10 HD21 LEU 10 13.524 3.404 -12.467 73 HD22 LEU 10 HD22 LEU 10 14.339 2.049 -11.606 74 HD23 LEU 10 HD23 LEU 10 14.180 3.649 -10.806 75 H LYS 11 HN LYS 11 8.755 4.874 -12.204 76 HA LYS 11 HA LYS 11 9.450 4.081 -14.983 77 HB2 LYS 11 HB1 LYS 11 7.019 3.468 -13.271 78 HB3 LYS 11 HB2 LYS 11 6.994 3.300 -15.053 79 HG2 LYS 11 HG1 LYS 11 9.048 1.861 -13.254 80 HG3 LYS 11 HG2 LYS 11 7.482 1.170 -13.747 81 HD2 LYS 11 HD1 LYS 11 8.254 0.481 -15.689 82 HD3 LYS 11 HD2 LYS 11 8.722 2.112 -16.199 83 HE2 LYS 11 HE1 LYS 11 10.530 0.309 -14.424 84 HE3 LYS 11 HE2 LYS 11 10.531 0.223 -16.226 85 HZ1 LYS 11 HZ1 LYS 11 11.146 2.702 -14.667 86 HZ2 LYS 11 HZ2 LYS 11 11.186 2.508 -16.340 87 HZ3 LYS 11 HZ3 LYS 11 12.268 1.659 -15.355 88 H THR 12 HN THR 12 7.898 6.632 -13.052 89 HA THR 12 HA THR 12 6.779 7.999 -15.204 90 HB THR 12 HB THR 12 8.205 9.245 -12.819 91 HG1 THR 12 HG1 THR 12 6.295 9.103 -11.879 92 HG21 THR 12 HG21 THR 12 6.531 11.101 -13.225 93 HG22 THR 12 HG22 THR 12 5.940 10.251 -14.695 94 HG23 THR 12 HG23 THR 12 7.615 10.922 -14.644 95 H ALA 13 HN ALA 13 10.230 7.993 -14.070 96 HA ALA 13 HA ALA 13 11.201 9.833 -15.872 97 HB1 ALA 13 HB1 ALA 13 12.511 8.818 -14.005 98 HB2 ALA 13 HB2 ALA 13 12.507 7.232 -14.851 99 HB3 ALA 13 HB3 ALA 13 13.389 8.640 -15.563 100 H LEU 14 HN LEU 14 10.371 6.429 -16.497 101 HA LEU 14 HA LEU 14 11.409 6.507 -19.205 102 HB2 LEU 14 HB1 LEU 14 11.415 4.441 -17.826 103 HB3 LEU 14 HB2 LEU 14 9.619 4.499 -17.730 104 HG LEU 14 HG LEU 14 9.497 4.165 -20.219 105 HD11 LEU 14 HD11 LEU 14 12.565 3.838 -20.049 106 HD12 LEU 14 HD12 LEU 14 11.666 5.119 -20.949 107 HD13 LEU 14 HD13 LEU 14 11.539 3.407 -21.463 108 HD21 LEU 14 HD21 LEU 14 10.139 1.786 -20.226 109 HD22 LEU 14 HD22 LEU 14 9.366 2.215 -18.660 110 HD23 LEU 14 HD23 LEU 14 11.171 2.015 -18.774 111 H LYS 15 HN LYS 15 8.078 6.546 -17.757 112 HA LYS 15 HA LYS 15 7.022 6.884 -20.493 113 HB2 LYS 15 HB1 LYS 15 6.642 4.687 -19.361 114 HB3 LYS 15 HB2 LYS 15 5.917 5.541 -17.975 115 HG2 LYS 15 HG1 LYS 15 4.180 4.485 -19.142 116 HG3 LYS 15 HG2 LYS 15 3.940 6.211 -19.416 117 HD2 LYS 15 HD1 LYS 15 5.125 4.133 -21.386 118 HD3 LYS 15 HD2 LYS 15 3.446 4.728 -21.380 119 HE2 LYS 15 HE1 LYS 15 5.964 6.322 -22.178 120 HE3 LYS 15 HE2 LYS 15 4.627 5.746 -23.232 121 HZ1 LYS 15 HZ1 LYS 15 4.417 7.786 -21.081 122 HZ2 LYS 15 HZ2 LYS 15 3.126 7.315 -22.090 123 HZ3 LYS 15 HZ3 LYS 15 4.516 8.091 -22.682 124 H GLY 16 HN GLY 16 7.449 8.873 -17.822 125 HA2 GLY 16 HA1 GLY 16 5.214 10.547 -18.844 126 HA3 GLY 16 HA2 GLY 16 5.954 10.654 -17.207 127 H ALA 17 HN ALA 17 8.644 10.118 -18.529 128 HA ALA 17 HA ALA 17 9.067 12.849 -19.576 129 HB1 ALA 17 HB1 ALA 17 10.928 11.123 -17.839 130 HB2 ALA 17 HB2 ALA 17 11.308 12.762 -18.500 131 HB3 ALA 17 HB3 ALA 17 9.984 12.555 -17.300 132 H ALA 18 HN ALA 18 11.118 9.825 -19.617 133 HA ALA 18 HA ALA 18 12.494 10.752 -21.773 134 HB1 ALA 18 HB1 ALA 18 13.286 9.014 -20.171 135 HB2 ALA 18 HB2 ALA 18 12.134 7.832 -20.894 136 HB3 ALA 18 HB3 ALA 18 13.505 8.482 -21.876 137 H LYS 19 HN LYS 19 9.793 8.302 -22.074 138 HA LYS 19 HA LYS 19 10.173 8.103 -24.877 139 HB2 LYS 19 HB1 LYS 19 8.856 6.461 -23.437 140 HB3 LYS 19 HB2 LYS 19 7.531 7.657 -23.403 141 HG2 LYS 19 HG1 LYS 19 8.372 7.277 -26.206 142 HG3 LYS 19 HG2 LYS 19 8.270 5.678 -25.451 143 HD2 LYS 19 HD1 LYS 19 6.062 5.666 -25.787 144 HD3 LYS 19 HD2 LYS 19 5.871 7.010 -24.615 145 HE2 LYS 19 HE1 LYS 19 6.320 7.360 -27.665 146 HE3 LYS 19 HE2 LYS 19 4.729 7.428 -26.818 147 HZ1 LYS 19 HZ1 LYS 19 7.043 9.205 -26.275 148 HZ2 LYS 19 HZ2 LYS 19 5.538 9.258 -25.508 149 HZ3 LYS 19 HZ3 LYS 19 5.704 9.628 -27.174 150 H GLU 20 HN GLU 20 8.168 10.309 -22.926 151 HA GLU 20 HA GLU 20 6.842 11.518 -25.097 152 HB2 GLU 20 HB1 GLU 20 7.220 12.129 -22.158 153 HB3 GLU 20 HB2 GLU 20 6.379 13.286 -23.235 154 HG2 GLU 20 HG1 GLU 20 4.820 11.687 -22.012 155 HG3 GLU 20 HG2 GLU 20 4.629 11.720 -23.800 156 H LEU 21 HN LEU 21 9.803 12.477 -23.327 157 HA LEU 21 HA LEU 21 10.389 14.767 -24.815 158 HB2 LEU 21 HB1 LEU 21 11.450 14.075 -22.643 159 HB3 LEU 21 HB2 LEU 21 12.233 12.701 -23.474 160 HG LEU 21 HG LEU 21 13.552 14.321 -24.881 161 HD11 LEU 21 HD11 LEU 21 12.247 16.477 -23.094 162 HD12 LEU 21 HD12 LEU 21 12.047 16.294 -24.880 163 HD13 LEU 21 HD13 LEU 21 13.648 16.736 -24.200 164 HD21 LEU 21 HD21 LEU 21 14.491 13.380 -22.773 165 HD22 LEU 21 HD22 LEU 21 13.792 14.758 -21.838 166 HD23 LEU 21 HD23 LEU 21 15.080 15.059 -23.064 167 H ALA 22 HN ALA 22 11.227 11.328 -25.473 168 HA ALA 22 HA ALA 22 12.641 12.077 -27.890 169 HB1 ALA 22 HB1 ALA 22 11.929 9.353 -26.645 170 HB2 ALA 22 HB2 ALA 22 13.098 9.618 -27.996 171 HB3 ALA 22 HB3 ALA 22 13.451 10.268 -26.353 172 H SER 23 HN SER 23 9.420 11.987 -27.326 173 HA SER 23 HA SER 23 8.389 10.052 -29.015 174 HB2 SER 23 HB1 SER 23 7.204 11.560 -27.212 175 HB3 SER 23 HB2 SER 23 6.859 12.677 -28.557 176 HG SER 23 HG1 SER 23 5.761 10.958 -29.573 177 H THR 24 HN THR 24 9.210 13.436 -29.806 178 HA THR 24 HA THR 24 8.199 13.584 -32.360 179 HB THR 24 HB THR 24 10.854 14.799 -31.444 180 HG1 THR 24 HG1 THR 24 9.575 16.430 -30.599 181 HG21 THR 24 HG21 THR 24 8.541 15.816 -33.251 182 HG22 THR 24 HG22 THR 24 10.138 15.235 -33.847 183 HG23 THR 24 HG23 THR 24 10.045 16.730 -32.854 184 H TYR 25 HN TYR 25 11.214 12.067 -31.216 185 HA TYR 25 HA TYR 25 12.206 11.905 -33.981 186 HB2 TYR 25 HB1 TYR 25 13.655 11.331 -31.317 187 HB3 TYR 25 HB2 TYR 25 14.416 11.571 -32.939 188 HD1 TYR 25 HD1 TYR 25 13.797 13.866 -34.119 189 HD2 TYR 25 HD2 TYR 25 13.472 13.169 -29.891 190 HE1 TYR 25 HE1 TYR 25 13.796 16.305 -33.719 191 HE2 TYR 25 HE2 TYR 25 13.462 15.616 -29.491 192 HH TYR 25 HH TYR 25 13.753 17.945 -32.178 193 H LEU 26 HN LEU 26 11.170 9.796 -31.301 194 HA LEU 26 HA LEU 26 12.002 7.431 -32.888 195 HB2 LEU 26 HB1 LEU 26 11.400 7.964 -29.939 196 HB3 LEU 26 HB2 LEU 26 11.333 6.302 -30.595 197 HG LEU 26 HG LEU 26 13.671 6.370 -31.286 198 HD11 LEU 26 HD11 LEU 26 13.766 9.168 -29.997 199 HD12 LEU 26 HD12 LEU 26 14.168 8.718 -31.699 200 HD13 LEU 26 HD13 LEU 26 15.220 8.156 -30.358 201 HD21 LEU 26 HD21 LEU 26 13.215 7.133 -28.332 202 HD22 LEU 26 HD22 LEU 26 14.639 6.242 -28.992 203 HD23 LEU 26 HD23 LEU 26 13.001 5.489 -29.054 204 H HIS 27 HN HIS 27 9.158 9.279 -32.211 205 HA HIS 27 HA HIS 27 7.487 6.981 -33.002 206 HB2 HIS 27 HB1 HIS 27 6.887 8.752 -30.557 207 HB3 HIS 27 HB2 HIS 27 5.911 7.354 -31.141 208 HD2 HIS 27 HD2 HIS 27 7.710 4.849 -31.138 209 HE1 HIS 27 HE1 HIS 27 9.815 6.366 -27.785 210 HE2 HIS 27 HE2 HIS 27 9.415 4.332 -29.289 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 0.503 -0.160 -0.070 2 HA2 GLY 1 HA1 GLY 1 0.672 1.798 -1.657 3 HA3 GLY 1 HA2 GLY 1 1.098 2.182 0.061 4 H ILE 2 HN ILE 2 3.481 0.413 -0.375 5 HA ILE 2 HA ILE 2 5.351 2.433 -0.576 6 HB ILE 2 HB ILE 2 5.702 0.387 0.660 7 HG12 ILE 2 HG11 ILE 2 7.899 0.770 -1.462 8 HG13 ILE 2 HG12 ILE 2 7.614 1.857 -0.062 9 HG21 ILE 2 HG21 ILE 2 6.145 -1.041 -2.047 10 HG22 ILE 2 HG22 ILE 2 6.278 -1.749 -0.406 11 HG23 ILE 2 HG23 ILE 2 4.675 -1.231 -1.008 12 HD11 ILE 2 HD1 ILE 2 8.378 -1.137 0.104 13 HD12 ILE 2 HD2 ILE 2 9.434 0.268 0.477 14 HD13 ILE 2 HD3 ILE 2 8.007 -0.083 1.516 15 H GLY 3 HN GLY 3 4.314 0.248 -3.173 16 HA2 GLY 3 HA1 GLY 3 6.223 0.960 -5.103 17 HA3 GLY 3 HA2 GLY 3 4.546 0.394 -5.419 18 H GLY 4 HN GLY 4 3.363 2.755 -4.036 19 HA2 GLY 4 HA1 GLY 4 3.244 4.446 -6.365 20 HA3 GLY 4 HA2 GLY 4 2.356 4.607 -4.812 21 H LYS 5 HN LYS 5 5.359 4.420 -3.699 22 HA LYS 5 HA LYS 5 6.048 7.224 -4.345 23 HB2 LYS 5 HB1 LYS 5 6.938 7.581 -2.120 24 HB3 LYS 5 HB2 LYS 5 5.212 7.196 -2.139 25 HG2 LYS 5 HG1 LYS 5 6.075 6.101 -0.225 26 HG3 LYS 5 HG2 LYS 5 5.593 4.882 -1.419 27 HD2 LYS 5 HD1 LYS 5 7.532 4.077 -0.379 28 HD3 LYS 5 HD2 LYS 5 8.041 4.519 -2.016 29 HE2 LYS 5 HE1 LYS 5 8.557 6.138 0.601 30 HE3 LYS 5 HE2 LYS 5 9.736 5.059 -0.241 31 HZ1 LYS 5 HZ1 LYS 5 10.294 7.139 -1.004 32 HZ2 LYS 5 HZ2 LYS 5 8.684 7.678 -1.082 33 HZ3 LYS 5 HZ3 LYS 5 9.250 6.602 -2.235 34 H ILE 6 HN ILE 6 6.935 4.362 -5.392 35 HA ILE 6 HA ILE 6 9.647 5.466 -5.802 36 HB ILE 6 HB ILE 6 10.575 3.172 -6.126 37 HG12 ILE 6 HG11 ILE 6 8.086 2.282 -4.541 38 HG13 ILE 6 HG12 ILE 6 8.363 1.928 -6.279 39 HG21 ILE 6 HG21 ILE 6 10.993 4.674 -4.140 40 HG22 ILE 6 HG22 ILE 6 9.636 3.844 -3.273 41 HG23 ILE 6 HG23 ILE 6 11.107 2.923 -3.750 42 HD11 ILE 6 HD1 ILE 6 8.993 -0.039 -4.955 43 HD12 ILE 6 HD2 ILE 6 10.483 0.678 -5.667 44 HD13 ILE 6 HD3 ILE 6 10.097 0.932 -3.925 45 H LEU 7 HN LEU 7 7.008 3.425 -7.267 46 HA LEU 7 HA LEU 7 8.258 3.312 -9.788 47 HB2 LEU 7 HB1 LEU 7 5.307 3.047 -9.001 48 HB3 LEU 7 HB2 LEU 7 5.969 2.629 -10.611 49 HG LEU 7 HG LEU 7 6.780 1.286 -7.964 50 HD11 LEU 7 HD11 LEU 7 5.450 -0.652 -8.782 51 HD12 LEU 7 HD12 LEU 7 4.941 0.293 -10.230 52 HD13 LEU 7 HD13 LEU 7 4.416 0.813 -8.586 53 HD21 LEU 7 HD21 LEU 7 7.826 -0.449 -9.450 54 HD22 LEU 7 HD22 LEU 7 8.630 1.149 -9.626 55 HD23 LEU 7 HD23 LEU 7 7.468 0.573 -10.889 56 H SER 8 HN SER 8 6.025 5.601 -8.321 57 HA SER 8 HA SER 8 5.428 7.221 -10.425 58 HB2 SER 8 HB1 SER 8 5.859 8.087 -7.510 59 HB3 SER 8 HB2 SER 8 4.745 8.834 -8.719 60 HG SER 8 HG1 SER 8 3.886 7.203 -7.124 61 H GLY 9 HN GLY 9 8.559 6.904 -8.978 62 HA2 GLY 9 HA1 GLY 9 9.422 9.254 -10.602 63 HA3 GLY 9 HA2 GLY 9 10.381 8.469 -9.304 64 H LEU 10 HN LEU 10 10.165 5.826 -9.840 65 HA LEU 10 HA LEU 10 12.211 5.553 -11.640 66 HB2 LEU 10 HB1 LEU 10 11.663 4.246 -9.576 67 HB3 LEU 10 HB2 LEU 10 10.362 3.400 -10.445 68 HG LEU 10 HG LEU 10 12.547 2.179 -10.022 69 HD11 LEU 10 HD11 LEU 10 12.605 0.942 -12.103 70 HD12 LEU 10 HD12 LEU 10 11.805 2.301 -12.990 71 HD13 LEU 10 HD13 LEU 10 10.895 1.378 -11.713 72 HD21 LEU 10 HD21 LEU 10 14.135 4.037 -10.548 73 HD22 LEU 10 HD22 LEU 10 13.706 3.908 -12.295 74 HD23 LEU 10 HD23 LEU 10 14.506 2.531 -11.458 75 H LYS 11 HN LYS 11 8.738 4.845 -12.286 76 HA LYS 11 HA LYS 11 9.541 4.189 -15.071 77 HB2 LYS 11 HB1 LYS 11 7.181 3.331 -13.366 78 HB3 LYS 11 HB2 LYS 11 7.074 3.282 -15.153 79 HG2 LYS 11 HG1 LYS 11 9.355 1.931 -13.615 80 HG3 LYS 11 HG2 LYS 11 7.813 1.096 -13.989 81 HD2 LYS 11 HD1 LYS 11 8.104 1.203 -16.334 82 HD3 LYS 11 HD2 LYS 11 9.381 2.435 -16.272 83 HE2 LYS 11 HE1 LYS 11 9.747 -0.464 -15.235 84 HE3 LYS 11 HE2 LYS 11 10.195 0.103 -16.893 85 HZ1 LYS 11 HZ1 LYS 11 12.080 0.170 -15.413 86 HZ2 LYS 11 HZ2 LYS 11 11.262 1.195 -14.336 87 HZ3 LYS 11 HZ3 LYS 11 11.658 1.743 -15.881 88 H THR 12 HN THR 12 7.888 6.618 -13.132 89 HA THR 12 HA THR 12 6.666 7.951 -15.276 90 HB THR 12 HB THR 12 8.001 9.210 -12.845 91 HG1 THR 12 HG1 THR 12 6.063 8.991 -11.955 92 HG21 THR 12 HG21 THR 12 5.738 10.171 -14.747 93 HG22 THR 12 HG22 THR 12 7.385 10.902 -14.643 94 HG23 THR 12 HG23 THR 12 6.265 11.010 -13.246 95 H ALA 13 HN ALA 13 10.095 8.086 -14.091 96 HA ALA 13 HA ALA 13 11.003 10.000 -15.849 97 HB1 ALA 13 HB1 ALA 13 12.327 9.031 -13.967 98 HB2 ALA 13 HB2 ALA 13 12.414 7.455 -14.826 99 HB3 ALA 13 HB3 ALA 13 13.244 8.908 -15.509 100 H LEU 14 HN LEU 14 10.546 6.496 -16.507 101 HA LEU 14 HA LEU 14 11.523 6.712 -19.202 102 HB2 LEU 14 HB1 LEU 14 11.589 4.617 -17.856 103 HB3 LEU 14 HB2 LEU 14 9.796 4.591 -17.808 104 HG LEU 14 HG LEU 14 9.758 4.310 -20.314 105 HD11 LEU 14 HD11 LEU 14 12.830 4.112 -20.051 106 HD12 LEU 14 HD12 LEU 14 11.907 5.373 -20.954 107 HD13 LEU 14 HD13 LEU 14 11.870 3.669 -21.507 108 HD21 LEU 14 HD21 LEU 14 10.527 1.959 -20.345 109 HD22 LEU 14 HD22 LEU 14 9.656 2.327 -18.811 110 HD23 LEU 14 HD23 LEU 14 11.470 2.219 -18.835 111 H LYS 15 HN LYS 15 8.147 6.505 -17.851 112 HA LYS 15 HA LYS 15 7.177 6.733 -20.622 113 HB2 LYS 15 HB1 LYS 15 6.780 4.646 -19.391 114 HB3 LYS 15 HB2 LYS 15 5.989 5.551 -18.075 115 HG2 LYS 15 HG1 LYS 15 4.397 4.328 -19.401 116 HG3 LYS 15 HG2 LYS 15 4.043 6.060 -19.503 117 HD2 LYS 15 HD1 LYS 15 5.671 4.585 -21.699 118 HD3 LYS 15 HD2 LYS 15 3.904 4.394 -21.605 119 HE2 LYS 15 HE1 LYS 15 5.413 7.002 -22.242 120 HE3 LYS 15 HE2 LYS 15 4.309 6.055 -23.307 121 HZ1 LYS 15 HZ1 LYS 15 2.518 6.542 -21.648 122 HZ2 LYS 15 HZ2 LYS 15 3.145 7.923 -22.387 123 HZ3 LYS 15 HZ3 LYS 15 3.664 7.534 -20.837 124 H GLY 16 HN GLY 16 7.394 8.818 -17.918 125 HA2 GLY 16 HA1 GLY 16 5.136 10.427 -19.008 126 HA3 GLY 16 HA2 GLY 16 5.805 10.503 -17.342 127 H ALA 17 HN ALA 17 8.588 10.237 -18.495 128 HA ALA 17 HA ALA 17 8.836 12.978 -19.580 129 HB1 ALA 17 HB1 ALA 17 10.809 11.376 -17.844 130 HB2 ALA 17 HB2 ALA 17 11.084 13.030 -18.518 131 HB3 ALA 17 HB3 ALA 17 9.784 12.752 -17.307 132 H ALA 18 HN ALA 18 11.035 10.077 -19.595 133 HA ALA 18 HA ALA 18 12.409 11.048 -21.719 134 HB1 ALA 18 HB1 ALA 18 12.151 8.115 -20.847 135 HB2 ALA 18 HB2 ALA 18 13.519 8.825 -21.791 136 HB3 ALA 18 HB3 ALA 18 13.231 9.344 -20.092 137 H LYS 19 HN LYS 19 9.825 8.493 -22.070 138 HA LYS 19 HA LYS 19 10.233 8.283 -24.853 139 HB2 LYS 19 HB1 LYS 19 8.987 6.618 -23.528 140 HB3 LYS 19 HB2 LYS 19 7.643 7.778 -23.285 141 HG2 LYS 19 HG1 LYS 19 8.577 7.005 -26.115 142 HG3 LYS 19 HG2 LYS 19 7.535 5.885 -25.194 143 HD2 LYS 19 HD1 LYS 19 5.634 7.117 -25.559 144 HD3 LYS 19 HD2 LYS 19 6.471 8.619 -25.087 145 HE2 LYS 19 HE1 LYS 19 7.508 8.733 -27.433 146 HE3 LYS 19 HE2 LYS 19 6.409 7.385 -27.908 147 HZ1 LYS 19 HZ1 LYS 19 5.800 9.996 -28.028 148 HZ2 LYS 19 HZ2 LYS 19 5.126 9.646 -26.547 149 HZ3 LYS 19 HZ3 LYS 19 4.682 8.775 -27.958 150 H GLU 20 HN GLU 20 8.083 10.559 -23.039 151 HA GLU 20 HA GLU 20 6.957 11.553 -25.451 152 HB2 GLU 20 HB1 GLU 20 6.837 12.888 -22.725 153 HB3 GLU 20 HB2 GLU 20 5.782 13.156 -24.152 154 HG2 GLU 20 HG1 GLU 20 5.885 10.706 -22.295 155 HG3 GLU 20 HG2 GLU 20 4.504 11.805 -22.619 156 H LEU 21 HN LEU 21 9.652 12.633 -23.404 157 HA LEU 21 HA LEU 21 10.308 14.967 -24.806 158 HB2 LEU 21 HB1 LEU 21 11.125 14.216 -22.566 159 HB3 LEU 21 HB2 LEU 21 12.117 12.948 -23.334 160 HG LEU 21 HG LEU 21 12.492 15.891 -24.099 161 HD11 LEU 21 HD11 LEU 21 13.687 14.526 -21.603 162 HD12 LEU 21 HD12 LEU 21 12.460 15.853 -21.609 163 HD13 LEU 21 HD13 LEU 21 14.124 16.160 -22.231 164 HD21 LEU 21 HD21 LEU 21 13.833 14.237 -25.408 165 HD22 LEU 21 HD22 LEU 21 14.454 13.507 -23.879 166 HD23 LEU 21 HD23 LEU 21 14.905 15.192 -24.334 167 H ALA 22 HN ALA 22 11.242 11.552 -25.441 168 HA ALA 22 HA ALA 22 12.756 12.350 -27.788 169 HB1 ALA 22 HB1 ALA 22 13.383 9.943 -27.832 170 HB2 ALA 22 HB2 ALA 22 13.587 10.612 -26.173 171 HB3 ALA 22 HB3 ALA 22 12.151 9.598 -26.554 172 H SER 23 HN SER 23 9.582 12.361 -27.493 173 HA SER 23 HA SER 23 8.554 10.301 -28.998 174 HB2 SER 23 HB1 SER 23 7.247 11.884 -27.508 175 HB3 SER 23 HB2 SER 23 7.248 13.079 -28.838 176 HG SER 23 HG1 SER 23 6.021 11.659 -30.037 177 H THR 24 HN THR 24 9.813 13.394 -30.252 178 HA THR 24 HA THR 24 8.905 13.259 -32.843 179 HB THR 24 HB THR 24 11.719 14.146 -32.031 180 HG1 THR 24 HG1 THR 24 10.699 16.115 -31.589 181 HG21 THR 24 HG21 THR 24 11.131 14.248 -34.506 182 HG22 THR 24 HG22 THR 24 11.289 15.892 -33.800 183 HG23 THR 24 HG23 THR 24 9.654 15.195 -34.101 184 H TYR 25 HN TYR 25 11.655 11.517 -31.351 185 HA TYR 25 HA TYR 25 12.457 10.524 -34.014 186 HB2 TYR 25 HB1 TYR 25 13.967 10.386 -31.329 187 HB3 TYR 25 HB2 TYR 25 14.642 10.076 -32.977 188 HD1 TYR 25 HD1 TYR 25 14.273 12.096 -34.693 189 HD2 TYR 25 HD2 TYR 25 14.257 12.503 -30.415 190 HE1 TYR 25 HE1 TYR 25 14.708 14.518 -34.925 191 HE2 TYR 25 HE2 TYR 25 14.691 14.937 -30.651 192 HH TYR 25 HH TYR 25 15.091 16.462 -33.845 193 H LEU 26 HN LEU 26 11.111 9.426 -30.952 194 HA LEU 26 HA LEU 26 11.489 6.603 -31.781 195 HB2 LEU 26 HB1 LEU 26 11.133 8.038 -29.105 196 HB3 LEU 26 HB2 LEU 26 10.724 6.301 -29.244 197 HG LEU 26 HG LEU 26 12.917 6.633 -28.273 198 HD11 LEU 26 HD11 LEU 26 14.136 4.948 -29.602 199 HD12 LEU 26 HD12 LEU 26 13.101 5.277 -31.035 200 HD13 LEU 26 HD13 LEU 26 12.376 4.544 -29.555 201 HD21 LEU 26 HD21 LEU 26 13.626 8.714 -29.559 202 HD22 LEU 26 HD22 LEU 26 13.943 7.653 -30.984 203 HD23 LEU 26 HD23 LEU 26 14.882 7.415 -29.471 204 H HIS 27 HN HIS 27 9.200 8.845 -32.313 205 HA HIS 27 HA HIS 27 7.162 6.840 -32.590 206 HB2 HIS 27 HB1 HIS 27 6.948 7.441 -30.130 207 HB3 HIS 27 HB2 HIS 27 6.652 9.147 -30.602 208 HD2 HIS 27 HD2 HIS 27 4.515 6.964 -32.953 209 HE1 HIS 27 HE1 HIS 27 2.189 7.763 -29.506 210 HE2 HIS 27 HE2 HIS 27 2.173 6.922 -31.916 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 1.428 -0.198 0.384 2 HA2 GLY 1 HA1 GLY 1 1.228 1.733 -1.213 3 HA3 GLY 1 HA2 GLY 1 1.892 2.187 0.410 4 H ILE 2 HN ILE 2 4.292 0.549 -0.402 5 HA ILE 2 HA ILE 2 5.962 2.684 -0.975 6 HB ILE 2 HB ILE 2 6.668 0.711 0.236 7 HG12 ILE 2 HG11 ILE 2 8.430 1.182 -2.244 8 HG13 ILE 2 HG12 ILE 2 8.296 2.308 -0.854 9 HG21 ILE 2 HG21 ILE 2 7.227 -1.408 -0.880 10 HG22 ILE 2 HG22 ILE 2 5.506 -1.033 -1.199 11 HG23 ILE 2 HG23 ILE 2 6.752 -0.762 -2.484 12 HD11 ILE 2 HD1 ILE 2 9.119 0.478 0.694 13 HD12 ILE 2 HD2 ILE 2 9.327 -0.608 -0.726 14 HD13 ILE 2 HD3 ILE 2 10.311 0.889 -0.591 15 H GLY 3 HN GLY 3 4.583 0.372 -3.269 16 HA2 GLY 3 HA1 GLY 3 6.029 1.041 -5.571 17 HA3 GLY 3 HA2 GLY 3 4.324 0.479 -5.510 18 H GLY 4 HN GLY 4 3.421 2.829 -3.990 19 HA2 GLY 4 HA1 GLY 4 2.892 4.562 -6.226 20 HA3 GLY 4 HA2 GLY 4 2.275 4.673 -4.541 21 H LYS 5 HN LYS 5 5.489 4.490 -4.069 22 HA LYS 5 HA LYS 5 5.982 7.315 -4.823 23 HB2 LYS 5 HB1 LYS 5 7.120 7.838 -2.805 24 HB3 LYS 5 HB2 LYS 5 5.482 7.226 -2.453 25 HG2 LYS 5 HG1 LYS 5 6.591 6.094 -0.785 26 HG3 LYS 5 HG2 LYS 5 6.643 4.892 -2.082 27 HD2 LYS 5 HD1 LYS 5 8.811 4.761 -1.377 28 HD3 LYS 5 HD2 LYS 5 9.053 6.000 -2.630 29 HE2 LYS 5 HE1 LYS 5 8.724 6.463 0.431 30 HE3 LYS 5 HE2 LYS 5 10.279 6.511 -0.488 31 HZ1 LYS 5 HZ1 LYS 5 9.395 8.714 -0.084 32 HZ2 LYS 5 HZ2 LYS 5 7.954 8.320 -0.888 33 HZ3 LYS 5 HZ3 LYS 5 9.412 8.376 -1.749 34 H ILE 6 HN ILE 6 7.339 4.014 -4.784 35 HA ILE 6 HA ILE 6 9.815 5.115 -5.843 36 HB ILE 6 HB ILE 6 10.667 2.936 -6.115 37 HG12 ILE 6 HG11 ILE 6 7.952 1.884 -5.120 38 HG13 ILE 6 HG12 ILE 6 8.612 1.680 -6.779 39 HG21 ILE 6 HG21 ILE 6 10.819 2.425 -3.712 40 HG22 ILE 6 HG22 ILE 6 10.732 4.207 -3.924 41 HG23 ILE 6 HG23 ILE 6 9.274 3.284 -3.381 42 HD11 ILE 6 HD1 ILE 6 8.979 -0.392 -5.522 43 HD12 ILE 6 HD2 ILE 6 10.572 0.391 -5.822 44 HD13 ILE 6 HD3 ILE 6 9.806 0.488 -4.194 45 H LEU 7 HN LEU 7 6.930 3.438 -7.336 46 HA LEU 7 HA LEU 7 8.247 3.427 -9.884 47 HB2 LEU 7 HB1 LEU 7 5.301 2.981 -9.179 48 HB3 LEU 7 HB2 LEU 7 6.048 2.651 -10.771 49 HG LEU 7 HG LEU 7 6.770 1.249 -8.130 50 HD11 LEU 7 HD11 LEU 7 5.609 -0.721 -9.110 51 HD12 LEU 7 HD12 LEU 7 5.154 0.253 -10.558 52 HD13 LEU 7 HD13 LEU 7 4.491 0.682 -8.940 53 HD21 LEU 7 HD21 LEU 7 7.708 0.690 -11.019 54 HD22 LEU 7 HD22 LEU 7 8.018 -0.370 -9.594 55 HD23 LEU 7 HD23 LEU 7 8.742 1.274 -9.652 56 H SER 8 HN SER 8 6.215 5.644 -8.149 57 HA SER 8 HA SER 8 5.436 7.320 -10.216 58 HB2 SER 8 HB1 SER 8 5.979 8.042 -7.282 59 HB3 SER 8 HB2 SER 8 4.917 8.943 -8.435 60 HG SER 8 HG1 SER 8 3.887 7.323 -6.971 61 H GLY 9 HN GLY 9 8.604 6.909 -8.866 62 HA2 GLY 9 HA1 GLY 9 9.472 9.262 -10.486 63 HA3 GLY 9 HA2 GLY 9 10.463 8.380 -9.277 64 H LEU 10 HN LEU 10 10.114 5.755 -9.928 65 HA LEU 10 HA LEU 10 12.018 5.525 -11.905 66 HB2 LEU 10 HB1 LEU 10 11.594 4.097 -9.904 67 HB3 LEU 10 HB2 LEU 10 10.212 3.331 -10.724 68 HG LEU 10 HG LEU 10 13.024 3.295 -11.958 69 HD11 LEU 10 HD11 LEU 10 13.291 2.571 -9.596 70 HD12 LEU 10 HD12 LEU 10 13.506 1.183 -10.718 71 HD13 LEU 10 HD13 LEU 10 11.967 1.365 -9.794 72 HD21 LEU 10 HD21 LEU 10 12.286 1.049 -12.813 73 HD22 LEU 10 HD22 LEU 10 11.208 2.375 -13.399 74 HD23 LEU 10 HD23 LEU 10 10.670 1.294 -12.039 75 H LYS 11 HN LYS 11 8.476 4.881 -12.299 76 HA LYS 11 HA LYS 11 9.038 4.187 -15.123 77 HB2 LYS 11 HB1 LYS 11 6.715 3.639 -13.236 78 HB3 LYS 11 HB2 LYS 11 6.495 3.524 -15.007 79 HG2 LYS 11 HG1 LYS 11 8.697 1.977 -13.530 80 HG3 LYS 11 HG2 LYS 11 7.040 1.332 -13.782 81 HD2 LYS 11 HD1 LYS 11 7.207 1.512 -16.201 82 HD3 LYS 11 HD2 LYS 11 8.804 2.291 -16.135 83 HE2 LYS 11 HE1 LYS 11 8.243 -0.589 -15.125 84 HE3 LYS 11 HE2 LYS 11 8.814 -0.185 -16.792 85 HZ1 LYS 11 HZ1 LYS 11 10.635 -0.754 -15.327 86 HZ2 LYS 11 HZ2 LYS 11 10.236 0.515 -14.272 87 HZ3 LYS 11 HZ3 LYS 11 10.755 0.854 -15.846 88 H THR 12 HN THR 12 7.624 6.718 -13.098 89 HA THR 12 HA THR 12 6.425 8.187 -15.154 90 HB THR 12 HB THR 12 7.935 9.284 -12.742 91 HG1 THR 12 HG1 THR 12 6.055 9.107 -11.742 92 HG21 THR 12 HG21 THR 12 7.301 11.066 -14.442 93 HG22 THR 12 HG22 THR 12 6.262 11.171 -12.982 94 HG23 THR 12 HG23 THR 12 5.619 10.411 -14.481 95 H ALA 13 HN ALA 13 9.908 8.099 -14.089 96 HA ALA 13 HA ALA 13 10.798 9.963 -15.961 97 HB1 ALA 13 HB1 ALA 13 12.166 9.074 -14.069 98 HB2 ALA 13 HB2 ALA 13 12.186 7.450 -14.837 99 HB3 ALA 13 HB3 ALA 13 13.022 8.840 -15.634 100 H LEU 14 HN LEU 14 10.395 6.399 -16.360 101 HA LEU 14 HA LEU 14 11.417 6.417 -19.009 102 HB2 LEU 14 HB1 LEU 14 11.460 4.477 -17.425 103 HB3 LEU 14 HB2 LEU 14 9.676 4.362 -17.537 104 HG LEU 14 HG LEU 14 9.902 3.839 -20.006 105 HD11 LEU 14 HD11 LEU 14 12.933 3.810 -19.409 106 HD12 LEU 14 HD12 LEU 14 12.067 4.930 -20.527 107 HD13 LEU 14 HD13 LEU 14 12.151 3.181 -20.905 108 HD21 LEU 14 HD21 LEU 14 11.516 1.995 -18.139 109 HD22 LEU 14 HD22 LEU 14 10.774 1.534 -19.715 110 HD23 LEU 14 HD23 LEU 14 9.706 2.007 -18.341 111 H LYS 15 HN LYS 15 7.956 6.196 -17.886 112 HA LYS 15 HA LYS 15 7.180 6.400 -20.735 113 HB2 LYS 15 HB1 LYS 15 6.591 4.224 -19.718 114 HB3 LYS 15 HB2 LYS 15 5.920 5.066 -18.296 115 HG2 LYS 15 HG1 LYS 15 4.074 4.205 -19.404 116 HG3 LYS 15 HG2 LYS 15 3.989 5.930 -19.700 117 HD2 LYS 15 HD1 LYS 15 4.537 3.607 -21.574 118 HD3 LYS 15 HD2 LYS 15 3.283 4.865 -21.706 119 HE2 LYS 15 HE1 LYS 15 6.296 5.200 -22.313 120 HE3 LYS 15 HE2 LYS 15 5.014 4.882 -23.518 121 HZ1 LYS 15 HZ1 LYS 15 4.190 7.129 -23.279 122 HZ2 LYS 15 HZ2 LYS 15 5.851 7.077 -23.343 123 HZ3 LYS 15 HZ3 LYS 15 5.067 7.443 -21.914 124 H GLY 16 HN GLY 16 7.466 8.387 -18.126 125 HA2 GLY 16 HA1 GLY 16 5.233 10.080 -19.122 126 HA3 GLY 16 HA2 GLY 16 6.157 10.297 -17.589 127 H ALA 17 HN ALA 17 8.445 10.835 -17.765 128 HA ALA 17 HA ALA 17 8.700 12.990 -19.543 129 HB1 ALA 17 HB1 ALA 17 10.841 11.586 -17.838 130 HB2 ALA 17 HB2 ALA 17 10.966 13.248 -18.531 131 HB3 ALA 17 HB3 ALA 17 9.731 12.890 -17.272 132 H ALA 18 HN ALA 18 10.614 9.859 -19.673 133 HA ALA 18 HA ALA 18 12.236 10.861 -21.680 134 HB1 ALA 18 HB1 ALA 18 11.644 7.927 -20.991 135 HB2 ALA 18 HB2 ALA 18 13.090 8.538 -21.886 136 HB3 ALA 18 HB3 ALA 18 12.841 8.985 -20.160 137 H LYS 19 HN LYS 19 9.458 8.580 -22.190 138 HA LYS 19 HA LYS 19 9.932 8.484 -24.977 139 HB2 LYS 19 HB1 LYS 19 8.510 6.936 -23.362 140 HB3 LYS 19 HB2 LYS 19 7.153 7.970 -23.884 141 HG2 LYS 19 HG1 LYS 19 9.060 6.271 -25.643 142 HG3 LYS 19 HG2 LYS 19 7.393 5.824 -25.196 143 HD2 LYS 19 HD1 LYS 19 8.259 8.099 -27.086 144 HD3 LYS 19 HD2 LYS 19 7.574 6.539 -27.543 145 HE2 LYS 19 HE1 LYS 19 5.429 7.240 -27.351 146 HE3 LYS 19 HE2 LYS 19 5.708 7.814 -25.669 147 HZ1 LYS 19 HZ1 LYS 19 5.307 9.762 -26.577 148 HZ2 LYS 19 HZ2 LYS 19 5.698 9.318 -28.157 149 HZ3 LYS 19 HZ3 LYS 19 6.908 9.752 -27.043 150 H GLU 20 HN GLU 20 7.757 10.664 -23.057 151 HA GLU 20 HA GLU 20 6.698 11.784 -25.451 152 HB2 GLU 20 HB1 GLU 20 6.427 12.433 -22.519 153 HB3 GLU 20 HB2 GLU 20 5.719 13.483 -23.788 154 HG2 GLU 20 HG1 GLU 20 4.063 11.848 -22.859 155 HG3 GLU 20 HG2 GLU 20 4.277 11.684 -24.637 156 H LEU 21 HN LEU 21 9.405 12.821 -23.291 157 HA LEU 21 HA LEU 21 9.936 15.200 -24.709 158 HB2 LEU 21 HB1 LEU 21 10.775 14.617 -22.449 159 HB3 LEU 21 HB2 LEU 21 11.845 13.369 -23.138 160 HG LEU 21 HG LEU 21 12.064 16.267 -24.098 161 HD11 LEU 21 HD11 LEU 21 13.616 16.790 -22.215 162 HD12 LEU 21 HD12 LEU 21 13.255 15.189 -21.465 163 HD13 LEU 21 HD13 LEU 21 11.953 16.431 -21.617 164 HD21 LEU 21 HD21 LEU 21 14.162 14.042 -23.619 165 HD22 LEU 21 HD22 LEU 21 14.519 15.706 -24.215 166 HD23 LEU 21 HD23 LEU 21 13.542 14.588 -25.223 167 H ALA 22 HN ALA 22 11.098 11.831 -25.255 168 HA ALA 22 HA ALA 22 12.650 12.708 -27.539 169 HB1 ALA 22 HB1 ALA 22 13.401 10.345 -27.590 170 HB2 ALA 22 HB2 ALA 22 13.499 10.994 -25.912 171 HB3 ALA 22 HB3 ALA 22 12.138 9.912 -26.372 172 H SER 23 HN SER 23 9.530 12.750 -27.488 173 HA SER 23 HA SER 23 8.635 10.595 -29.029 174 HB2 SER 23 HB1 SER 23 7.246 12.142 -27.514 175 HB3 SER 23 HB2 SER 23 7.173 13.294 -28.879 176 HG SER 23 HG1 SER 23 6.130 11.668 -30.071 177 H THR 24 HN THR 24 10.172 13.536 -30.141 178 HA THR 24 HA THR 24 9.316 13.598 -32.768 179 HB THR 24 HB THR 24 12.213 14.044 -31.910 180 HG1 THR 24 HG1 THR 24 11.474 16.148 -31.434 181 HG21 THR 24 HG21 THR 24 12.048 15.880 -33.625 182 HG22 THR 24 HG22 THR 24 10.316 15.467 -33.919 183 HG23 THR 24 HG23 THR 24 11.616 14.307 -34.377 184 H TYR 25 HN TYR 25 11.646 11.397 -31.201 185 HA TYR 25 HA TYR 25 12.175 10.147 -33.855 186 HB2 TYR 25 HB1 TYR 25 14.085 10.334 -31.441 187 HB3 TYR 25 HB2 TYR 25 14.476 9.692 -33.085 188 HD1 TYR 25 HD1 TYR 25 13.798 11.487 -35.048 189 HD2 TYR 25 HD2 TYR 25 14.862 12.457 -30.998 190 HE1 TYR 25 HE1 TYR 25 14.420 13.768 -35.760 191 HE2 TYR 25 HE2 TYR 25 15.484 14.751 -31.718 192 HH TYR 25 HH TYR 25 15.249 15.768 -35.122 193 H LEU 26 HN LEU 26 11.401 9.519 -30.431 194 HA LEU 26 HA LEU 26 11.749 6.627 -30.891 195 HB2 LEU 26 HB1 LEU 26 11.709 8.436 -28.428 196 HB3 LEU 26 HB2 LEU 26 11.433 6.679 -28.259 197 HG LEU 26 HG LEU 26 13.703 7.255 -27.714 198 HD11 LEU 26 HD11 LEU 26 13.590 5.563 -30.287 199 HD12 LEU 26 HD12 LEU 26 13.147 4.990 -28.635 200 HD13 LEU 26 HD13 LEU 26 14.842 5.489 -29.001 201 HD21 LEU 26 HD21 LEU 26 15.403 7.975 -29.301 202 HD22 LEU 26 HD22 LEU 26 14.067 9.191 -29.313 203 HD23 LEU 26 HD23 LEU 26 14.221 7.988 -30.652 204 H HIS 27 HN HIS 27 9.301 8.413 -31.676 205 HA HIS 27 HA HIS 27 7.236 7.111 -30.048 206 HB2 HIS 27 HB1 HIS 27 7.058 9.516 -30.748 207 HB3 HIS 27 HB2 HIS 27 6.844 8.976 -32.446 208 HD2 HIS 27 HD2 HIS 27 4.147 8.474 -33.009 209 HE1 HIS 27 HE1 HIS 27 2.828 8.386 -28.980 210 HE2 HIS 27 HE2 HIS 27 2.114 8.326 -31.429 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 1.423 -0.196 0.327 2 HA2 GLY 1 HA1 GLY 1 1.171 1.688 -1.300 3 HA3 GLY 1 HA2 GLY 1 1.724 2.226 0.339 4 H ILE 2 HN ILE 2 4.256 0.702 -0.392 5 HA ILE 2 HA ILE 2 5.828 2.928 -0.933 6 HB ILE 2 HB ILE 2 6.621 1.009 0.305 7 HG12 ILE 2 HG11 ILE 2 8.390 1.497 -2.165 8 HG13 ILE 2 HG12 ILE 2 8.189 2.660 -0.815 9 HG21 ILE 2 HG21 ILE 2 6.797 -0.503 -2.388 10 HG22 ILE 2 HG22 ILE 2 7.288 -1.100 -0.772 11 HG23 ILE 2 HG23 ILE 2 5.555 -0.811 -1.108 12 HD11 ILE 2 HD1 ILE 2 9.072 0.913 0.801 13 HD12 ILE 2 HD2 ILE 2 9.342 -0.202 -0.583 14 HD13 ILE 2 HD3 ILE 2 10.262 1.335 -0.484 15 H GLY 3 HN GLY 3 4.626 0.525 -3.208 16 HA2 GLY 3 HA1 GLY 3 6.052 1.206 -5.513 17 HA3 GLY 3 HA2 GLY 3 4.385 0.545 -5.443 18 H GLY 4 HN GLY 4 3.363 2.905 -3.988 19 HA2 GLY 4 HA1 GLY 4 2.667 4.473 -6.290 20 HA3 GLY 4 HA2 GLY 4 2.105 4.653 -4.592 21 H LYS 5 HN LYS 5 5.344 4.682 -4.268 22 HA LYS 5 HA LYS 5 5.665 7.431 -5.311 23 HB2 LYS 5 HB1 LYS 5 6.831 8.256 -3.391 24 HB3 LYS 5 HB2 LYS 5 5.194 7.694 -2.983 25 HG2 LYS 5 HG1 LYS 5 6.284 6.929 -1.177 26 HG3 LYS 5 HG2 LYS 5 6.385 5.454 -2.180 27 HD2 LYS 5 HD1 LYS 5 8.723 5.982 -2.796 28 HD3 LYS 5 HD2 LYS 5 8.622 7.602 -2.066 29 HE2 LYS 5 HE1 LYS 5 8.442 4.944 -0.475 30 HE3 LYS 5 HE2 LYS 5 9.940 5.937 -0.675 31 HZ1 LYS 5 HZ1 LYS 5 8.818 6.419 1.401 32 HZ2 LYS 5 HZ2 LYS 5 7.400 6.859 0.582 33 HZ3 LYS 5 HZ3 LYS 5 8.807 7.778 0.392 34 H ILE 6 HN ILE 6 7.310 4.269 -4.676 35 HA ILE 6 HA ILE 6 9.688 5.319 -5.880 36 HB ILE 6 HB ILE 6 10.603 3.149 -6.008 37 HG12 ILE 6 HG11 ILE 6 7.909 2.082 -4.980 38 HG13 ILE 6 HG12 ILE 6 8.566 1.822 -6.633 39 HG21 ILE 6 HG21 ILE 6 10.717 2.780 -3.578 40 HG22 ILE 6 HG22 ILE 6 10.599 4.544 -3.899 41 HG23 ILE 6 HG23 ILE 6 9.147 3.626 -3.326 42 HD11 ILE 6 HD1 ILE 6 9.812 0.780 -4.005 43 HD12 ILE 6 HD2 ILE 6 8.992 -0.182 -5.280 44 HD13 ILE 6 HD3 ILE 6 10.561 0.625 -5.636 45 H LEU 7 HN LEU 7 6.865 3.543 -7.345 46 HA LEU 7 HA LEU 7 8.230 3.458 -9.877 47 HB2 LEU 7 HB1 LEU 7 5.285 2.982 -9.191 48 HB3 LEU 7 HB2 LEU 7 6.050 2.626 -10.767 49 HG LEU 7 HG LEU 7 6.781 1.303 -8.088 50 HD11 LEU 7 HD11 LEU 7 5.175 0.222 -10.487 51 HD12 LEU 7 HD12 LEU 7 4.510 0.685 -8.879 52 HD13 LEU 7 HD13 LEU 7 5.644 -0.709 -9.014 53 HD21 LEU 7 HD21 LEU 7 8.750 1.316 -9.613 54 HD22 LEU 7 HD22 LEU 7 7.723 0.674 -10.961 55 HD23 LEU 7 HD23 LEU 7 8.052 -0.337 -9.502 56 H SER 8 HN SER 8 6.127 5.716 -8.235 57 HA SER 8 HA SER 8 5.326 7.235 -10.430 58 HB2 SER 8 HB1 SER 8 5.724 8.155 -7.529 59 HB3 SER 8 HB2 SER 8 4.642 8.908 -8.766 60 HG SER 8 HG1 SER 8 3.658 7.330 -7.231 61 H GLY 9 HN GLY 9 8.425 7.095 -8.843 62 HA2 GLY 9 HA1 GLY 9 9.292 9.411 -10.509 63 HA3 GLY 9 HA2 GLY 9 10.242 8.576 -9.236 64 H LEU 10 HN LEU 10 10.022 5.909 -9.909 65 HA LEU 10 HA LEU 10 12.004 5.795 -11.850 66 HB2 LEU 10 HB1 LEU 10 11.700 4.313 -9.902 67 HB3 LEU 10 HB2 LEU 10 10.292 3.535 -10.661 68 HG LEU 10 HG LEU 10 13.013 3.554 -12.076 69 HD11 LEU 10 HD11 LEU 10 13.492 2.869 -9.739 70 HD12 LEU 10 HD12 LEU 10 13.657 1.473 -10.859 71 HD13 LEU 10 HD13 LEU 10 12.193 1.622 -9.813 72 HD21 LEU 10 HD21 LEU 10 11.115 2.558 -13.361 73 HD22 LEU 10 HD22 LEU 10 10.722 1.484 -11.948 74 HD23 LEU 10 HD23 LEU 10 12.277 1.279 -12.852 75 H LYS 11 HN LYS 11 8.510 4.867 -12.292 76 HA LYS 11 HA LYS 11 9.133 4.044 -15.029 77 HB2 LYS 11 HB1 LYS 11 6.618 4.004 -13.307 78 HB3 LYS 11 HB2 LYS 11 6.538 3.692 -15.064 79 HG2 LYS 11 HG1 LYS 11 8.382 2.086 -13.205 80 HG3 LYS 11 HG2 LYS 11 6.677 1.633 -13.539 81 HD2 LYS 11 HD1 LYS 11 7.078 1.536 -15.958 82 HD3 LYS 11 HD2 LYS 11 8.781 2.015 -15.775 83 HE2 LYS 11 HE1 LYS 11 7.551 -0.579 -14.586 84 HE3 LYS 11 HE2 LYS 11 8.381 -0.482 -16.189 85 HZ1 LYS 11 HZ1 LYS 11 9.859 -1.216 -14.431 86 HZ2 LYS 11 HZ2 LYS 11 9.614 0.231 -13.575 87 HZ3 LYS 11 HZ3 LYS 11 10.371 0.258 -15.090 88 H THR 12 HN THR 12 7.781 6.837 -13.324 89 HA THR 12 HA THR 12 6.877 8.244 -15.557 90 HB THR 12 HB THR 12 8.199 9.382 -13.052 91 HG1 THR 12 HG1 THR 12 6.266 9.219 -12.184 92 HG21 THR 12 HG21 THR 12 6.100 10.515 -15.046 93 HG22 THR 12 HG22 THR 12 7.802 11.096 -14.896 94 HG23 THR 12 HG23 THR 12 6.648 11.321 -13.537 95 H ALA 13 HN ALA 13 10.217 8.214 -14.057 96 HA ALA 13 HA ALA 13 11.349 9.786 -16.100 97 HB1 ALA 13 HB1 ALA 13 13.512 8.887 -15.204 98 HB2 ALA 13 HB2 ALA 13 12.406 9.380 -13.873 99 HB3 ALA 13 HB3 ALA 13 12.595 7.638 -14.275 100 H LEU 14 HN LEU 14 11.129 6.199 -15.779 101 HA LEU 14 HA LEU 14 12.631 5.636 -18.035 102 HB2 LEU 14 HB1 LEU 14 12.048 4.071 -16.145 103 HB3 LEU 14 HB2 LEU 14 10.387 3.948 -16.808 104 HG LEU 14 HG LEU 14 11.379 2.958 -18.935 105 HD11 LEU 14 HD11 LEU 14 13.737 2.092 -18.859 106 HD12 LEU 14 HD12 LEU 14 14.012 2.988 -17.320 107 HD13 LEU 14 HD13 LEU 14 13.678 3.883 -18.848 108 HD21 LEU 14 HD21 LEU 14 12.086 1.504 -16.313 109 HD22 LEU 14 HD22 LEU 14 11.922 0.738 -17.939 110 HD23 LEU 14 HD23 LEU 14 10.473 1.489 -17.165 111 H LYS 15 HN LYS 15 9.044 6.093 -17.919 112 HA LYS 15 HA LYS 15 9.202 6.128 -20.869 113 HB2 LYS 15 HB1 LYS 15 8.563 3.824 -20.039 114 HB3 LYS 15 HB2 LYS 15 7.080 4.545 -19.353 115 HG2 LYS 15 HG1 LYS 15 6.601 3.424 -21.448 116 HG3 LYS 15 HG2 LYS 15 6.321 5.168 -21.684 117 HD2 LYS 15 HD1 LYS 15 9.047 4.011 -22.455 118 HD3 LYS 15 HD2 LYS 15 7.626 3.568 -23.459 119 HE2 LYS 15 HE1 LYS 15 7.102 5.973 -23.902 120 HE3 LYS 15 HE2 LYS 15 8.500 6.463 -22.875 121 HZ1 LYS 15 HZ1 LYS 15 9.219 6.604 -24.991 122 HZ2 LYS 15 HZ2 LYS 15 8.572 5.132 -25.526 123 HZ3 LYS 15 HZ3 LYS 15 9.915 5.161 -24.474 124 H GLY 16 HN GLY 16 7.427 7.408 -18.013 125 HA2 GLY 16 HA1 GLY 16 5.641 9.027 -19.492 126 HA3 GLY 16 HA2 GLY 16 6.426 9.440 -17.929 127 H ALA 17 HN ALA 17 8.859 10.007 -18.289 128 HA ALA 17 HA ALA 17 9.033 12.365 -19.766 129 HB1 ALA 17 HB1 ALA 17 11.287 10.590 -18.638 130 HB2 ALA 17 HB2 ALA 17 11.441 12.329 -19.091 131 HB3 ALA 17 HB3 ALA 17 10.386 11.847 -17.713 132 H ALA 18 HN ALA 18 10.038 9.065 -20.589 133 HA ALA 18 HA ALA 18 11.210 9.945 -23.094 134 HB1 ALA 18 HB1 ALA 18 10.772 7.121 -21.959 135 HB2 ALA 18 HB2 ALA 18 11.802 7.562 -23.384 136 HB3 ALA 18 HB3 ALA 18 12.243 8.124 -21.737 137 H LYS 19 HN LYS 19 8.023 9.838 -22.317 138 HA LYS 19 HA LYS 19 7.343 9.352 -25.163 139 HB2 LYS 19 HB1 LYS 19 5.688 10.246 -22.714 140 HB3 LYS 19 HB2 LYS 19 5.091 10.363 -24.397 141 HG2 LYS 19 HG1 LYS 19 4.951 7.973 -24.630 142 HG3 LYS 19 HG2 LYS 19 5.895 7.713 -23.122 143 HD2 LYS 19 HD1 LYS 19 3.553 7.280 -22.684 144 HD3 LYS 19 HD2 LYS 19 4.102 8.685 -21.728 145 HE2 LYS 19 HE1 LYS 19 2.567 9.022 -24.402 146 HE3 LYS 19 HE2 LYS 19 1.726 8.715 -22.837 147 HZ1 LYS 19 HZ1 LYS 19 3.033 10.780 -22.009 148 HZ2 LYS 19 HZ2 LYS 19 1.775 11.052 -23.096 149 HZ3 LYS 19 HZ3 LYS 19 3.380 11.112 -23.508 150 H GLU 20 HN GLU 20 7.003 11.837 -22.572 151 HA GLU 20 HA GLU 20 6.343 13.850 -24.257 152 HB2 GLU 20 HB1 GLU 20 7.299 13.632 -21.400 153 HB3 GLU 20 HB2 GLU 20 7.054 15.261 -22.108 154 HG2 GLU 20 HG1 GLU 20 5.058 14.364 -20.795 155 HG3 GLU 20 HG2 GLU 20 4.715 14.949 -22.460 156 H LEU 21 HN LEU 21 9.690 13.111 -23.192 157 HA LEU 21 HA LEU 21 10.624 15.353 -24.860 158 HB2 LEU 21 HB1 LEU 21 11.346 14.328 -22.322 159 HB3 LEU 21 HB2 LEU 21 12.690 13.827 -23.378 160 HG LEU 21 HG LEU 21 11.595 16.694 -23.101 161 HD11 LEU 21 HD11 LEU 21 13.652 17.145 -21.761 162 HD12 LEU 21 HD12 LEU 21 14.125 15.408 -21.888 163 HD13 LEU 21 HD13 LEU 21 12.632 15.874 -20.982 164 HD21 LEU 21 HD21 LEU 21 12.714 16.364 -25.305 165 HD22 LEU 21 HD22 LEU 21 14.148 15.648 -24.490 166 HD23 LEU 21 HD23 LEU 21 13.735 17.386 -24.232 167 H ALA 22 HN ALA 22 9.897 12.119 -25.449 168 HA ALA 22 HA ALA 22 12.107 11.977 -27.433 169 HB1 ALA 22 HB1 ALA 22 12.672 9.685 -26.790 170 HB2 ALA 22 HB2 ALA 22 12.795 10.757 -25.352 171 HB3 ALA 22 HB3 ALA 22 11.359 9.680 -25.548 172 H SER 23 HN SER 23 8.808 11.956 -27.300 173 HA SER 23 HA SER 23 8.165 9.781 -28.951 174 HB2 SER 23 HB1 SER 23 6.756 12.506 -28.809 175 HB3 SER 23 HB2 SER 23 6.124 11.052 -29.662 176 HG SER 23 HG1 SER 23 6.613 11.374 -26.896 177 H THR 24 HN THR 24 9.316 13.057 -29.852 178 HA THR 24 HA THR 24 9.047 12.936 -32.556 179 HB THR 24 HB THR 24 11.513 14.091 -31.158 180 HG1 THR 24 HG1 THR 24 10.178 15.883 -30.787 181 HG21 THR 24 HG21 THR 24 11.326 14.322 -33.691 182 HG22 THR 24 HG22 THR 24 11.166 15.911 -32.865 183 HG23 THR 24 HG23 THR 24 9.699 15.066 -33.484 184 H TYR 25 HN TYR 25 11.638 11.476 -30.555 185 HA TYR 25 HA TYR 25 13.177 10.877 -32.982 186 HB2 TYR 25 HB1 TYR 25 13.952 10.512 -30.020 187 HB3 TYR 25 HB2 TYR 25 15.063 10.535 -31.445 188 HD1 TYR 25 HD1 TYR 25 14.729 12.755 -32.981 189 HD2 TYR 25 HD2 TYR 25 13.824 12.478 -28.787 190 HE1 TYR 25 HE1 TYR 25 14.838 15.216 -32.795 191 HE2 TYR 25 HE2 TYR 25 13.915 14.945 -28.606 192 HH TYR 25 HH TYR 25 14.713 16.994 -31.418 193 H LEU 26 HN LEU 26 11.049 9.209 -30.809 194 HA LEU 26 HA LEU 26 12.084 6.603 -31.810 195 HB2 LEU 26 HB1 LEU 26 10.636 7.435 -29.242 196 HB3 LEU 26 HB2 LEU 26 10.582 5.739 -29.817 197 HG LEU 26 HG LEU 26 12.204 5.969 -28.070 198 HD11 LEU 26 HD11 LEU 26 12.573 4.282 -29.901 199 HD12 LEU 26 HD12 LEU 26 14.115 4.831 -29.136 200 HD13 LEU 26 HD13 LEU 26 13.639 5.462 -30.748 201 HD21 LEU 26 HD21 LEU 26 13.923 7.788 -29.847 202 HD22 LEU 26 HD22 LEU 26 14.270 7.241 -28.174 203 HD23 LEU 26 HD23 LEU 26 12.900 8.384 -28.487 204 H HIS 27 HN HIS 27 9.800 8.826 -32.610 205 HA HIS 27 HA HIS 27 8.231 6.837 -33.977 206 HB2 HIS 27 HB1 HIS 27 7.123 6.851 -31.692 207 HB3 HIS 27 HB2 HIS 27 6.854 8.615 -31.860 208 HD2 HIS 27 HD2 HIS 27 5.926 6.883 -35.217 209 HE1 HIS 27 HE1 HIS 27 2.448 7.116 -32.804 210 HE2 HIS 27 HE2 HIS 27 3.364 6.656 -35.148 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 0.363 0.877 -0.073 2 HA2 GLY 1 HA1 GLY 1 0.809 2.603 -1.838 3 HA3 GLY 1 HA2 GLY 1 0.889 3.256 -0.150 4 H ILE 2 HN ILE 2 3.316 1.743 0.365 5 HA ILE 2 HA ILE 2 5.194 3.731 -0.193 6 HB ILE 2 HB ILE 2 5.295 2.328 1.771 7 HG12 ILE 2 HG11 ILE 2 7.854 2.003 0.096 8 HG13 ILE 2 HG12 ILE 2 7.319 3.545 0.845 9 HG21 ILE 2 HG21 ILE 2 6.063 -0.007 1.714 10 HG22 ILE 2 HG22 ILE 2 4.596 0.134 0.702 11 HG23 ILE 2 HG23 ILE 2 6.229 0.024 -0.069 12 HD11 ILE 2 HD1 ILE 2 7.995 0.934 2.362 13 HD12 ILE 2 HD2 ILE 2 8.992 2.422 2.307 14 HD13 ILE 2 HD3 ILE 2 7.389 2.442 3.129 15 H GLY 3 HN GLY 3 4.637 0.669 -1.878 16 HA2 GLY 3 HA1 GLY 3 6.794 0.877 -3.708 17 HA3 GLY 3 HA2 GLY 3 5.273 -0.054 -3.916 18 H GLY 4 HN GLY 4 3.678 2.534 -3.638 19 HA2 GLY 4 HA1 GLY 4 3.464 2.888 -6.460 20 HA3 GLY 4 HA2 GLY 4 2.589 3.782 -5.166 21 H LYS 5 HN LYS 5 4.755 4.997 -3.860 22 HA LYS 5 HA LYS 5 5.296 7.116 -5.661 23 HB2 LYS 5 HB1 LYS 5 6.560 8.209 -3.895 24 HB3 LYS 5 HB2 LYS 5 4.957 7.623 -3.396 25 HG2 LYS 5 HG1 LYS 5 6.067 7.024 -1.544 26 HG3 LYS 5 HG2 LYS 5 6.309 5.505 -2.459 27 HD2 LYS 5 HD1 LYS 5 8.581 6.376 -3.195 28 HD3 LYS 5 HD2 LYS 5 8.328 7.859 -2.246 29 HE2 LYS 5 HE1 LYS 5 8.423 4.984 -1.067 30 HE3 LYS 5 HE2 LYS 5 9.821 6.129 -1.114 31 HZ1 LYS 5 HZ1 LYS 5 8.691 6.176 1.011 32 HZ2 LYS 5 HZ2 LYS 5 7.228 6.616 0.271 33 HZ3 LYS 5 HZ3 LYS 5 8.552 7.671 0.229 34 H ILE 6 HN ILE 6 7.445 4.382 -4.663 35 HA ILE 6 HA ILE 6 9.603 5.430 -6.229 36 HB ILE 6 HB ILE 6 10.671 3.230 -6.032 37 HG12 ILE 6 HG11 ILE 6 8.256 2.515 -4.252 38 HG13 ILE 6 HG12 ILE 6 8.580 1.810 -5.870 39 HG21 ILE 6 HG21 ILE 6 11.226 3.571 -3.676 40 HG22 ILE 6 HG22 ILE 6 10.930 5.179 -4.419 41 HG23 ILE 6 HG23 ILE 6 9.664 4.414 -3.370 42 HD11 ILE 6 HD1 ILE 6 9.362 0.244 -4.151 43 HD12 ILE 6 HD2 ILE 6 10.789 0.908 -5.023 44 HD13 ILE 6 HD3 ILE 6 10.377 1.507 -3.375 45 H LEU 7 HN LEU 7 7.018 3.012 -7.002 46 HA LEU 7 HA LEU 7 8.005 2.503 -9.581 47 HB2 LEU 7 HB1 LEU 7 5.208 2.292 -8.368 48 HB3 LEU 7 HB2 LEU 7 5.553 1.788 -10.052 49 HG LEU 7 HG LEU 7 6.971 0.620 -7.593 50 HD11 LEU 7 HD11 LEU 7 5.497 -1.364 -7.908 51 HD12 LEU 7 HD12 LEU 7 4.607 -0.510 -9.225 52 HD13 LEU 7 HD13 LEU 7 4.539 0.115 -7.535 53 HD21 LEU 7 HD21 LEU 7 7.632 -1.211 -9.159 54 HD22 LEU 7 HD22 LEU 7 8.315 0.366 -9.682 55 HD23 LEU 7 HD23 LEU 7 6.869 -0.326 -10.531 56 H SER 8 HN SER 8 5.714 5.044 -8.458 57 HA SER 8 HA SER 8 5.123 6.062 -10.993 58 HB2 SER 8 HB1 SER 8 3.921 6.677 -8.870 59 HB3 SER 8 HB2 SER 8 5.346 7.657 -8.377 60 HG SER 8 HG1 SER 8 3.688 8.887 -9.472 61 H GLY 9 HN GLY 9 7.852 6.989 -8.777 62 HA2 GLY 9 HA1 GLY 9 8.860 8.945 -10.579 63 HA3 GLY 9 HA2 GLY 9 9.754 8.126 -9.250 64 H LEU 10 HN LEU 10 9.724 5.482 -10.147 65 HA LEU 10 HA LEU 10 11.761 5.454 -12.077 66 HB2 LEU 10 HB1 LEU 10 11.387 3.777 -10.291 67 HB3 LEU 10 HB2 LEU 10 9.875 3.239 -11.059 68 HG LEU 10 HG LEU 10 11.939 1.767 -11.270 69 HD11 LEU 10 HD11 LEU 10 9.938 1.484 -12.754 70 HD12 LEU 10 HD12 LEU 10 11.499 0.955 -13.505 71 HD13 LEU 10 HD13 LEU 10 10.756 2.511 -14.007 72 HD21 LEU 10 HD21 LEU 10 12.906 3.803 -13.370 73 HD22 LEU 10 HD22 LEU 10 13.662 2.226 -12.956 74 HD23 LEU 10 HD23 LEU 10 13.631 3.550 -11.737 75 H LYS 11 HN LYS 11 8.229 4.697 -12.462 76 HA LYS 11 HA LYS 11 8.482 4.171 -15.245 77 HB2 LYS 11 HB1 LYS 11 6.091 4.864 -13.472 78 HB3 LYS 11 HB2 LYS 11 5.913 4.573 -15.226 79 HG2 LYS 11 HG1 LYS 11 7.080 2.524 -13.255 80 HG3 LYS 11 HG2 LYS 11 5.367 2.596 -13.791 81 HD2 LYS 11 HD1 LYS 11 6.112 2.392 -16.192 82 HD3 LYS 11 HD2 LYS 11 7.794 2.135 -15.661 83 HE2 LYS 11 HE1 LYS 11 5.367 0.323 -14.971 84 HE3 LYS 11 HE2 LYS 11 6.612 -0.017 -16.239 85 HZ1 LYS 11 HZ1 LYS 11 8.292 -0.036 -14.523 86 HZ2 LYS 11 HZ2 LYS 11 7.073 -1.160 -14.164 87 HZ3 LYS 11 HZ3 LYS 11 7.140 0.321 -13.331 88 H THR 12 HN THR 12 7.666 7.200 -13.467 89 HA THR 12 HA THR 12 7.135 8.711 -15.761 90 HB THR 12 HB THR 12 8.335 9.698 -13.132 91 HG1 THR 12 HG1 THR 12 6.368 8.859 -12.742 92 HG21 THR 12 HG21 THR 12 6.850 11.153 -15.440 93 HG22 THR 12 HG22 THR 12 8.578 11.422 -14.972 94 HG23 THR 12 HG23 THR 12 7.254 11.877 -13.848 95 H ALA 13 HN ALA 13 10.327 8.185 -14.068 96 HA ALA 13 HA ALA 13 11.787 9.712 -15.922 97 HB1 ALA 13 HB1 ALA 13 12.636 8.991 -13.684 98 HB2 ALA 13 HB2 ALA 13 12.610 7.277 -14.223 99 HB3 ALA 13 HB3 ALA 13 13.748 8.451 -14.993 100 H LEU 14 HN LEU 14 11.105 6.168 -15.910 101 HA LEU 14 HA LEU 14 12.594 5.592 -18.196 102 HB2 LEU 14 HB1 LEU 14 11.882 3.989 -16.411 103 HB3 LEU 14 HB2 LEU 14 10.187 4.154 -16.945 104 HG LEU 14 HG LEU 14 10.828 3.125 -19.173 105 HD11 LEU 14 HD11 LEU 14 13.569 2.693 -17.814 106 HD12 LEU 14 HD12 LEU 14 13.251 3.716 -19.265 107 HD13 LEU 14 HD13 LEU 14 13.034 1.934 -19.356 108 HD21 LEU 14 HD21 LEU 14 11.094 0.810 -18.296 109 HD22 LEU 14 HD22 LEU 14 9.890 1.745 -17.325 110 HD23 LEU 14 HD23 LEU 14 11.560 1.465 -16.683 111 H LYS 15 HN LYS 15 9.066 6.332 -17.969 112 HA LYS 15 HA LYS 15 8.982 6.608 -20.866 113 HB2 LYS 15 HB1 LYS 15 8.746 4.069 -20.017 114 HB3 LYS 15 HB2 LYS 15 7.107 4.598 -19.561 115 HG2 LYS 15 HG1 LYS 15 6.825 3.606 -21.633 116 HG3 LYS 15 HG2 LYS 15 6.833 5.324 -22.082 117 HD2 LYS 15 HD1 LYS 15 9.322 3.451 -22.279 118 HD3 LYS 15 HD2 LYS 15 8.070 3.585 -23.532 119 HE2 LYS 15 HE1 LYS 15 9.356 5.135 -24.521 120 HE3 LYS 15 HE2 LYS 15 8.648 6.258 -23.304 121 HZ1 LYS 15 HZ1 LYS 15 11.317 4.951 -23.320 122 HZ2 LYS 15 HZ2 LYS 15 10.664 5.558 -21.879 123 HZ3 LYS 15 HZ3 LYS 15 10.884 6.582 -23.183 124 H GLY 16 HN GLY 16 8.374 8.261 -18.341 125 HA2 GLY 16 HA1 GLY 16 5.800 9.296 -19.414 126 HA3 GLY 16 HA2 GLY 16 6.528 9.679 -17.808 127 H ALA 17 HN ALA 17 8.637 10.789 -17.837 128 HA ALA 17 HA ALA 17 8.723 13.012 -19.565 129 HB1 ALA 17 HB1 ALA 17 9.659 13.001 -17.241 130 HB2 ALA 17 HB2 ALA 17 10.876 11.768 -17.733 131 HB3 ALA 17 HB3 ALA 17 10.935 13.432 -18.433 132 H ALA 18 HN ALA 18 10.618 9.937 -19.554 133 HA ALA 18 HA ALA 18 11.811 10.646 -22.111 134 HB1 ALA 18 HB1 ALA 18 13.145 9.505 -20.329 135 HB2 ALA 18 HB2 ALA 18 12.046 8.090 -20.425 136 HB3 ALA 18 HB3 ALA 18 13.074 8.541 -21.843 137 H LYS 19 HN LYS 19 8.724 9.928 -21.642 138 HA LYS 19 HA LYS 19 8.630 8.520 -24.241 139 HB2 LYS 19 HB1 LYS 19 6.902 7.653 -22.721 140 HB3 LYS 19 HB2 LYS 19 6.433 9.311 -22.250 141 HG2 LYS 19 HG1 LYS 19 5.584 9.774 -24.518 142 HG3 LYS 19 HG2 LYS 19 6.048 8.139 -25.081 143 HD2 LYS 19 HD1 LYS 19 4.447 7.075 -23.609 144 HD3 LYS 19 HD2 LYS 19 4.254 8.545 -22.613 145 HE2 LYS 19 HE1 LYS 19 3.302 8.375 -25.554 146 HE3 LYS 19 HE2 LYS 19 2.263 8.028 -24.111 147 HZ1 LYS 19 HZ1 LYS 19 1.950 10.338 -24.654 148 HZ2 LYS 19 HZ2 LYS 19 3.601 10.619 -24.755 149 HZ3 LYS 19 HZ3 LYS 19 3.022 10.343 -23.331 150 H GLU 20 HN GLU 20 7.296 11.454 -22.560 151 HA GLU 20 HA GLU 20 6.674 12.783 -24.875 152 HB2 GLU 20 HB1 GLU 20 7.093 13.465 -21.966 153 HB3 GLU 20 HB2 GLU 20 6.916 14.838 -23.099 154 HG2 GLU 20 HG1 GLU 20 4.768 13.914 -21.870 155 HG3 GLU 20 HG2 GLU 20 4.693 14.408 -23.596 156 H LEU 21 HN LEU 21 9.805 13.149 -23.101 157 HA LEU 21 HA LEU 21 10.704 15.140 -24.933 158 HB2 LEU 21 HB1 LEU 21 11.464 14.835 -22.541 159 HB3 LEU 21 HB2 LEU 21 12.258 13.307 -23.016 160 HG LEU 21 HG LEU 21 13.794 14.603 -24.535 161 HD11 LEU 21 HD11 LEU 21 13.930 17.100 -24.300 162 HD12 LEU 21 HD12 LEU 21 12.404 17.088 -23.337 163 HD13 LEU 21 HD13 LEU 21 12.395 16.578 -25.070 164 HD21 LEU 21 HD21 LEU 21 13.726 15.600 -21.618 165 HD22 LEU 21 HD22 LEU 21 15.152 15.630 -22.724 166 HD23 LEU 21 HD23 LEU 21 14.457 14.051 -22.196 167 H ALA 22 HN ALA 22 10.433 11.720 -25.233 168 HA ALA 22 HA ALA 22 12.559 11.607 -27.289 169 HB1 ALA 22 HB1 ALA 22 11.104 9.378 -25.747 170 HB2 ALA 22 HB2 ALA 22 12.468 9.154 -26.914 171 HB3 ALA 22 HB3 ALA 22 12.747 10.014 -25.356 172 H SER 23 HN SER 23 9.246 12.133 -27.104 173 HA SER 23 HA SER 23 8.158 10.081 -28.551 174 HB2 SER 23 HB1 SER 23 6.905 11.797 -27.156 175 HB3 SER 23 HB2 SER 23 6.992 12.923 -28.544 176 HG SER 23 HG1 SER 23 5.828 11.345 -29.751 177 H THR 24 HN THR 24 9.335 13.196 -29.899 178 HA THR 24 HA THR 24 8.620 12.838 -32.529 179 HB THR 24 HB THR 24 11.261 14.085 -31.609 180 HG1 THR 24 HG1 THR 24 10.003 15.938 -31.301 181 HG21 THR 24 HG21 THR 24 10.783 14.016 -34.112 182 HG22 THR 24 HG22 THR 24 10.721 15.696 -33.477 183 HG23 THR 24 HG23 THR 24 9.192 14.803 -33.812 184 H TYR 25 HN TYR 25 11.389 11.484 -30.749 185 HA TYR 25 HA TYR 25 12.743 10.723 -33.213 186 HB2 TYR 25 HB1 TYR 25 13.600 10.404 -30.263 187 HB3 TYR 25 HB2 TYR 25 14.670 10.281 -31.716 188 HD1 TYR 25 HD1 TYR 25 14.628 12.399 -33.308 189 HD2 TYR 25 HD2 TYR 25 13.419 12.477 -29.184 190 HE1 TYR 25 HE1 TYR 25 14.899 14.856 -33.276 191 HE2 TYR 25 HE2 TYR 25 13.684 14.938 -29.154 192 HH TYR 25 HH TYR 25 14.783 16.732 -32.040 193 H LEU 26 HN LEU 26 10.423 9.351 -31.261 194 HA LEU 26 HA LEU 26 11.137 6.623 -32.182 195 HB2 LEU 26 HB1 LEU 26 9.548 7.690 -29.793 196 HB3 LEU 26 HB2 LEU 26 9.125 6.092 -30.476 197 HG LEU 26 HG LEU 26 10.511 5.844 -28.524 198 HD11 LEU 26 HD11 LEU 26 10.613 4.143 -30.370 199 HD12 LEU 26 HD12 LEU 26 12.147 4.226 -29.419 200 HD13 LEU 26 HD13 LEU 26 12.055 4.983 -31.047 201 HD21 LEU 26 HD21 LEU 26 12.883 6.467 -28.387 202 HD22 LEU 26 HD22 LEU 26 11.892 7.950 -28.703 203 HD23 LEU 26 HD23 LEU 26 12.832 7.184 -30.035 204 H HIS 27 HN HIS 27 9.771 9.200 -33.415 205 HA HIS 27 HA HIS 27 7.699 7.663 -34.778 206 HB2 HIS 27 HB1 HIS 27 6.527 8.836 -32.875 207 HB3 HIS 27 HB2 HIS 27 7.163 10.403 -33.464 208 HD2 HIS 27 HD2 HIS 27 4.280 7.821 -34.257 209 HE1 HIS 27 HE1 HIS 27 4.098 11.032 -37.031 210 HE2 HIS 27 HE2 HIS 27 2.920 8.937 -36.160 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 1.178 -0.263 -0.013 2 HA2 GLY 1 HA1 GLY 1 0.973 1.620 -1.668 3 HA3 GLY 1 HA2 GLY 1 1.480 2.147 -0.010 4 H ILE 2 HN ILE 2 4.033 0.661 -0.598 5 HA ILE 2 HA ILE 2 5.612 2.882 -1.079 6 HB ILE 2 HB ILE 2 6.332 0.964 0.212 7 HG12 ILE 2 HG11 ILE 2 8.258 1.504 -2.128 8 HG13 ILE 2 HG12 ILE 2 7.952 2.637 -0.772 9 HG21 ILE 2 HG21 ILE 2 5.384 -0.858 -1.282 10 HG22 ILE 2 HG22 ILE 2 6.705 -0.528 -2.473 11 HG23 ILE 2 HG23 ILE 2 7.094 -1.132 -0.830 12 HD11 ILE 2 HD1 ILE 2 9.126 -0.215 -0.514 13 HD12 ILE 2 HD2 ILE 2 10.012 1.336 -0.325 14 HD13 ILE 2 HD3 ILE 2 8.744 0.875 0.867 15 H GLY 3 HN GLY 3 4.516 0.496 -3.437 16 HA2 GLY 3 HA1 GLY 3 6.121 1.218 -5.622 17 HA3 GLY 3 HA2 GLY 3 4.455 0.549 -5.693 18 H GLY 4 HN GLY 4 3.255 2.876 -4.322 19 HA2 GLY 4 HA1 GLY 4 2.962 4.598 -6.636 20 HA3 GLY 4 HA2 GLY 4 2.113 4.684 -5.053 21 H LYS 5 HN LYS 5 5.170 4.525 -4.094 22 HA LYS 5 HA LYS 5 5.682 7.423 -4.345 23 HB2 LYS 5 HB1 LYS 5 5.604 6.307 -2.058 24 HB3 LYS 5 HB2 LYS 5 7.038 5.354 -2.522 25 HG2 LYS 5 HG1 LYS 5 8.325 7.524 -2.837 26 HG3 LYS 5 HG2 LYS 5 6.847 8.430 -2.365 27 HD2 LYS 5 HD1 LYS 5 6.886 7.165 -0.120 28 HD3 LYS 5 HD2 LYS 5 8.394 6.380 -0.647 29 HE2 LYS 5 HE1 LYS 5 8.995 8.179 0.883 30 HE3 LYS 5 HE2 LYS 5 9.528 8.663 -0.776 31 HZ1 LYS 5 HZ1 LYS 5 7.509 9.986 -0.961 32 HZ2 LYS 5 HZ2 LYS 5 8.421 10.460 0.390 33 HZ3 LYS 5 HZ3 LYS 5 7.023 9.528 0.596 34 H ILE 6 HN ILE 6 7.441 4.242 -4.574 35 HA ILE 6 HA ILE 6 9.654 5.504 -5.794 36 HB ILE 6 HB ILE 6 10.681 3.362 -6.043 37 HG12 ILE 6 HG11 ILE 6 8.012 2.169 -5.070 38 HG13 ILE 6 HG12 ILE 6 8.705 1.980 -6.716 39 HG21 ILE 6 HG21 ILE 6 10.829 2.903 -3.632 40 HG22 ILE 6 HG22 ILE 6 10.625 4.670 -3.869 41 HG23 ILE 6 HG23 ILE 6 9.227 3.660 -3.329 42 HD11 ILE 6 HD1 ILE 6 10.723 0.817 -5.709 43 HD12 ILE 6 HD2 ILE 6 9.927 0.897 -4.095 44 HD13 ILE 6 HD3 ILE 6 9.171 -0.051 -5.420 45 H LEU 7 HN LEU 7 6.947 3.666 -7.389 46 HA LEU 7 HA LEU 7 8.388 3.720 -9.880 47 HB2 LEU 7 HB1 LEU 7 5.449 3.077 -9.327 48 HB3 LEU 7 HB2 LEU 7 6.304 2.792 -10.871 49 HG LEU 7 HG LEU 7 6.957 1.452 -8.179 50 HD11 LEU 7 HD11 LEU 7 4.777 0.732 -9.120 51 HD12 LEU 7 HD12 LEU 7 5.991 -0.597 -9.210 52 HD13 LEU 7 HD13 LEU 7 5.561 0.339 -10.692 53 HD21 LEU 7 HD21 LEU 7 8.107 0.932 -10.997 54 HD22 LEU 7 HD22 LEU 7 8.401 -0.087 -9.535 55 HD23 LEU 7 HD23 LEU 7 9.013 1.603 -9.577 56 H SER 8 HN SER 8 6.215 5.865 -8.222 57 HA SER 8 HA SER 8 5.384 7.413 -10.411 58 HB2 SER 8 HB1 SER 8 5.696 8.190 -7.457 59 HB3 SER 8 HB2 SER 8 4.714 9.077 -8.688 60 HG SER 8 HG1 SER 8 3.698 7.358 -7.247 61 H GLY 9 HN GLY 9 8.460 7.260 -8.802 62 HA2 GLY 9 HA1 GLY 9 9.313 9.620 -10.421 63 HA3 GLY 9 HA2 GLY 9 10.259 8.800 -9.136 64 H LEU 10 HN LEU 10 10.138 6.147 -9.791 65 HA LEU 10 HA LEU 10 12.137 6.106 -11.720 66 HB2 LEU 10 HB1 LEU 10 11.916 4.641 -9.742 67 HB3 LEU 10 HB2 LEU 10 10.526 3.804 -10.470 68 HG LEU 10 HG LEU 10 12.786 2.637 -10.442 69 HD11 LEU 10 HD11 LEU 10 12.554 1.499 -12.563 70 HD12 LEU 10 HD12 LEU 10 11.590 2.851 -13.263 71 HD13 LEU 10 HD13 LEU 10 10.909 1.868 -11.894 72 HD21 LEU 10 HD21 LEU 10 14.489 3.119 -12.140 73 HD22 LEU 10 HD22 LEU 10 14.224 4.570 -11.111 74 HD23 LEU 10 HD23 LEU 10 13.535 4.503 -12.776 75 H LYS 11 HN LYS 11 8.691 4.996 -12.153 76 HA LYS 11 HA LYS 11 9.380 4.230 -14.901 77 HB2 LYS 11 HB1 LYS 11 6.884 3.921 -13.178 78 HB3 LYS 11 HB2 LYS 11 6.834 3.645 -14.942 79 HG2 LYS 11 HG1 LYS 11 8.767 2.150 -13.078 80 HG3 LYS 11 HG2 LYS 11 7.129 1.562 -13.529 81 HD2 LYS 11 HD1 LYS 11 7.711 1.680 -15.949 82 HD3 LYS 11 HD2 LYS 11 9.380 2.169 -15.569 83 HE2 LYS 11 HE1 LYS 11 8.068 -0.516 -14.719 84 HE3 LYS 11 HE2 LYS 11 9.114 -0.286 -16.175 85 HZ1 LYS 11 HZ1 LYS 11 10.905 0.411 -14.727 86 HZ2 LYS 11 HZ2 LYS 11 10.358 -1.137 -14.307 87 HZ3 LYS 11 HZ3 LYS 11 9.932 0.203 -13.355 88 H THR 12 HN THR 12 7.852 6.909 -13.150 89 HA THR 12 HA THR 12 6.821 8.230 -15.384 90 HB THR 12 HB THR 12 8.142 9.488 -12.938 91 HG1 THR 12 HG1 THR 12 6.213 9.304 -12.052 92 HG21 THR 12 HG21 THR 12 5.977 10.494 -14.929 93 HG22 THR 12 HG22 THR 12 7.655 11.148 -14.807 94 HG23 THR 12 HG23 THR 12 6.506 11.354 -13.442 95 H ALA 13 HN ALA 13 10.197 8.425 -13.978 96 HA ALA 13 HA ALA 13 11.175 10.014 -16.090 97 HB1 ALA 13 HB1 ALA 13 13.413 9.275 -15.230 98 HB2 ALA 13 HB2 ALA 13 12.311 9.737 -13.883 99 HB3 ALA 13 HB3 ALA 13 12.598 8.000 -14.242 100 H LEU 14 HN LEU 14 11.222 6.430 -15.654 101 HA LEU 14 HA LEU 14 12.742 6.005 -17.975 102 HB2 LEU 14 HB1 LEU 14 12.604 4.556 -15.908 103 HB3 LEU 14 HB2 LEU 14 10.964 4.054 -16.413 104 HG LEU 14 HG LEU 14 11.997 3.030 -18.508 105 HD11 LEU 14 HD11 LEU 14 14.665 3.733 -17.117 106 HD12 LEU 14 HD12 LEU 14 14.074 4.379 -18.694 107 HD13 LEU 14 HD13 LEU 14 14.478 2.639 -18.536 108 HD21 LEU 14 HD21 LEU 14 11.495 1.648 -16.516 109 HD22 LEU 14 HD22 LEU 14 13.122 2.050 -15.811 110 HD23 LEU 14 HD23 LEU 14 13.008 1.080 -17.328 111 H LYS 15 HN LYS 15 9.222 6.342 -17.695 112 HA LYS 15 HA LYS 15 9.208 5.895 -20.590 113 HB2 LYS 15 HB1 LYS 15 8.628 3.701 -19.417 114 HB3 LYS 15 HB2 LYS 15 7.219 4.533 -18.703 115 HG2 LYS 15 HG1 LYS 15 6.374 3.248 -20.470 116 HG3 LYS 15 HG2 LYS 15 6.325 4.895 -21.111 117 HD2 LYS 15 HD1 LYS 15 8.395 2.666 -21.723 118 HD3 LYS 15 HD2 LYS 15 7.028 3.137 -22.763 119 HE2 LYS 15 HE1 LYS 15 9.605 4.749 -22.222 120 HE3 LYS 15 HE2 LYS 15 9.069 3.996 -23.761 121 HZ1 LYS 15 HZ1 LYS 15 7.607 6.193 -22.366 122 HZ2 LYS 15 HZ2 LYS 15 7.270 5.563 -23.904 123 HZ3 LYS 15 HZ3 LYS 15 8.711 6.409 -23.595 124 H GLY 16 HN GLY 16 7.722 7.697 -17.931 125 HA2 GLY 16 HA1 GLY 16 5.745 8.847 -19.733 126 HA3 GLY 16 HA2 GLY 16 6.229 9.409 -18.095 127 H ALA 17 HN ALA 17 8.678 10.198 -18.128 128 HA ALA 17 HA ALA 17 8.857 12.455 -19.791 129 HB1 ALA 17 HB1 ALA 17 10.001 12.237 -17.560 130 HB2 ALA 17 HB2 ALA 17 11.080 10.968 -18.250 131 HB3 ALA 17 HB3 ALA 17 11.174 12.664 -18.858 132 H ALA 18 HN ALA 18 10.398 9.245 -20.032 133 HA ALA 18 HA ALA 18 11.442 9.798 -22.665 134 HB1 ALA 18 HB1 ALA 18 11.222 7.177 -21.074 135 HB2 ALA 18 HB2 ALA 18 12.219 7.440 -22.558 136 HB3 ALA 18 HB3 ALA 18 12.617 8.309 -21.035 137 H LYS 19 HN LYS 19 8.292 9.826 -22.119 138 HA LYS 19 HA LYS 19 7.915 8.586 -24.771 139 HB2 LYS 19 HB1 LYS 19 6.054 8.008 -23.070 140 HB3 LYS 19 HB2 LYS 19 5.608 9.724 -23.200 141 HG2 LYS 19 HG1 LYS 19 5.770 9.224 -25.887 142 HG3 LYS 19 HG2 LYS 19 5.764 7.527 -25.379 143 HD2 LYS 19 HD1 LYS 19 3.533 7.781 -25.846 144 HD3 LYS 19 HD2 LYS 19 3.478 8.234 -24.118 145 HE2 LYS 19 HE1 LYS 19 3.497 10.124 -26.603 146 HE3 LYS 19 HE2 LYS 19 2.131 9.850 -25.437 147 HZ1 LYS 19 HZ1 LYS 19 4.763 11.123 -24.949 148 HZ2 LYS 19 HZ2 LYS 19 3.892 10.478 -23.734 149 HZ3 LYS 19 HZ3 LYS 19 3.310 11.815 -24.571 150 H GLU 20 HN GLU 20 6.943 11.591 -22.925 151 HA GLU 20 HA GLU 20 6.629 13.142 -25.095 152 HB2 GLU 20 HB1 GLU 20 7.267 13.566 -22.168 153 HB3 GLU 20 HB2 GLU 20 7.542 15.002 -23.192 154 HG2 GLU 20 HG1 GLU 20 5.292 15.005 -22.098 155 HG3 GLU 20 HG2 GLU 20 5.229 15.130 -23.893 156 H LEU 21 HN LEU 21 9.824 12.792 -23.429 157 HA LEU 21 HA LEU 21 11.059 14.626 -25.256 158 HB2 LEU 21 HB1 LEU 21 11.810 14.153 -22.895 159 HB3 LEU 21 HB2 LEU 21 12.248 12.494 -23.389 160 HG LEU 21 HG LEU 21 13.985 13.433 -24.948 161 HD11 LEU 21 HD11 LEU 21 13.020 15.656 -25.474 162 HD12 LEU 21 HD12 LEU 21 14.649 15.846 -24.744 163 HD13 LEU 21 HD13 LEU 21 13.179 16.162 -23.747 164 HD21 LEU 21 HD21 LEU 21 14.202 14.440 -22.042 165 HD22 LEU 21 HD22 LEU 21 15.573 14.162 -23.182 166 HD23 LEU 21 HD23 LEU 21 14.575 12.769 -22.618 167 H ALA 22 HN ALA 22 10.091 11.327 -25.586 168 HA ALA 22 HA ALA 22 12.202 10.751 -27.572 169 HB1 ALA 22 HB1 ALA 22 10.145 8.927 -26.188 170 HB2 ALA 22 HB2 ALA 22 11.460 8.385 -27.302 171 HB3 ALA 22 HB3 ALA 22 11.873 9.112 -25.708 172 H SER 23 HN SER 23 8.725 11.386 -27.339 173 HA SER 23 HA SER 23 7.878 10.171 -29.669 174 HB2 SER 23 HB1 SER 23 6.784 12.610 -28.190 175 HB3 SER 23 HB2 SER 23 6.012 12.008 -29.699 176 HG SER 23 HG1 SER 23 5.856 9.963 -28.707 177 H THR 24 HN THR 24 9.467 13.360 -29.390 178 HA THR 24 HA THR 24 9.102 14.276 -31.947 179 HB THR 24 HB THR 24 11.733 14.411 -30.389 180 HG1 THR 24 HG1 THR 24 10.797 16.177 -29.387 181 HG21 THR 24 HG21 THR 24 10.250 16.408 -32.250 182 HG22 THR 24 HG22 THR 24 11.723 15.474 -32.700 183 HG23 THR 24 HG23 THR 24 11.815 16.720 -31.409 184 H TYR 25 HN TYR 25 11.349 11.735 -30.820 185 HA TYR 25 HA TYR 25 12.597 11.655 -33.498 186 HB2 TYR 25 HB1 TYR 25 13.558 10.436 -30.832 187 HB3 TYR 25 HB2 TYR 25 14.514 10.600 -32.358 188 HD1 TYR 25 HD1 TYR 25 14.648 13.085 -33.299 189 HD2 TYR 25 HD2 TYR 25 13.767 12.112 -29.198 190 HE1 TYR 25 HE1 TYR 25 15.279 15.373 -32.615 191 HE2 TYR 25 HE2 TYR 25 14.393 14.396 -28.523 192 HH TYR 25 HH TYR 25 15.515 16.810 -30.907 193 H LEU 26 HN LEU 26 10.730 9.656 -31.222 194 HA LEU 26 HA LEU 26 11.076 7.324 -33.011 195 HB2 LEU 26 HB1 LEU 26 10.167 7.649 -30.094 196 HB3 LEU 26 HB2 LEU 26 9.941 6.124 -31.004 197 HG LEU 26 HG LEU 26 11.809 5.892 -29.566 198 HD11 LEU 26 HD11 LEU 26 13.516 5.085 -31.146 199 HD12 LEU 26 HD12 LEU 26 12.847 6.114 -32.458 200 HD13 LEU 26 HD13 LEU 26 11.868 4.749 -31.803 201 HD21 LEU 26 HD21 LEU 26 13.310 8.139 -31.019 202 HD22 LEU 26 HD22 LEU 26 13.891 7.143 -29.642 203 HD23 LEU 26 HD23 LEU 26 12.536 8.316 -29.395 204 H HIS 27 HN HIS 27 8.802 9.819 -32.566 205 HA HIS 27 HA HIS 27 6.755 8.107 -33.839 206 HB2 HIS 27 HB1 HIS 27 6.176 10.185 -31.639 207 HB3 HIS 27 HB2 HIS 27 4.941 9.286 -32.583 208 HD2 HIS 27 HD2 HIS 27 6.140 6.221 -32.252 209 HE1 HIS 27 HE1 HIS 27 5.568 7.069 -28.140 210 HE2 HIS 27 HE2 HIS 27 5.870 5.230 -29.907 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 1.539 -0.183 0.467 2 HA2 GLY 1 HA1 GLY 1 1.269 1.701 -1.165 3 HA3 GLY 1 HA2 GLY 1 1.842 2.234 0.468 4 H ILE 2 HN ILE 2 4.366 0.715 -0.276 5 HA ILE 2 HA ILE 2 5.931 2.938 -0.855 6 HB ILE 2 HB ILE 2 6.741 1.034 0.396 7 HG12 ILE 2 HG11 ILE 2 8.481 1.491 -2.101 8 HG13 ILE 2 HG12 ILE 2 8.295 2.672 -0.764 9 HG21 ILE 2 HG21 ILE 2 6.884 -0.510 -2.281 10 HG22 ILE 2 HG22 ILE 2 7.395 -1.087 -0.663 11 HG23 ILE 2 HG23 ILE 2 5.658 -0.803 -0.983 12 HD11 ILE 2 HD1 ILE 2 9.197 0.945 0.864 13 HD12 ILE 2 HD2 ILE 2 9.451 -0.188 -0.510 14 HD13 ILE 2 HD3 ILE 2 10.372 1.351 -0.440 15 H GLY 3 HN GLY 3 4.711 0.507 -3.091 16 HA2 GLY 3 HA1 GLY 3 6.108 1.178 -5.419 17 HA3 GLY 3 HA2 GLY 3 4.447 0.502 -5.324 18 H GLY 4 HN GLY 4 3.434 2.873 -3.869 19 HA2 GLY 4 HA1 GLY 4 2.692 4.419 -6.171 20 HA3 GLY 4 HA2 GLY 4 2.159 4.610 -4.465 21 H LYS 5 HN LYS 5 5.404 4.650 -4.199 22 HA LYS 5 HA LYS 5 5.699 7.390 -5.271 23 HB2 LYS 5 HB1 LYS 5 6.899 8.234 -3.376 24 HB3 LYS 5 HB2 LYS 5 5.262 7.688 -2.948 25 HG2 LYS 5 HG1 LYS 5 6.357 6.937 -1.142 26 HG3 LYS 5 HG2 LYS 5 6.444 5.449 -2.127 27 HD2 LYS 5 HD1 LYS 5 8.781 5.958 -2.763 28 HD3 LYS 5 HD2 LYS 5 8.693 7.586 -2.049 29 HE2 LYS 5 HE1 LYS 5 8.507 4.944 -0.431 30 HE3 LYS 5 HE2 LYS 5 10.009 5.927 -0.647 31 HZ1 LYS 5 HZ1 LYS 5 7.479 6.873 0.613 32 HZ2 LYS 5 HZ2 LYS 5 8.889 7.784 0.408 33 HZ3 LYS 5 HZ3 LYS 5 8.898 6.434 1.429 34 H ILE 6 HN ILE 6 7.374 4.244 -4.630 35 HA ILE 6 HA ILE 6 9.724 5.296 -5.889 36 HB ILE 6 HB ILE 6 10.652 3.129 -6.000 37 HG12 ILE 6 HG11 ILE 6 7.979 2.061 -4.917 38 HG13 ILE 6 HG12 ILE 6 8.620 1.778 -6.572 39 HG21 ILE 6 HG21 ILE 6 10.810 2.799 -3.568 40 HG22 ILE 6 HG22 ILE 6 10.668 4.557 -3.909 41 HG23 ILE 6 HG23 ILE 6 9.236 3.630 -3.300 42 HD11 ILE 6 HD1 ILE 6 9.075 -0.200 -5.192 43 HD12 ILE 6 HD2 ILE 6 10.633 0.611 -5.581 44 HD13 ILE 6 HD3 ILE 6 9.904 0.788 -3.943 45 H LEU 7 HN LEU 7 6.893 3.470 -7.270 46 HA LEU 7 HA LEU 7 8.207 3.371 -9.832 47 HB2 LEU 7 HB1 LEU 7 5.284 2.852 -9.079 48 HB3 LEU 7 HB2 LEU 7 6.028 2.485 -10.663 49 HG LEU 7 HG LEU 7 6.815 1.215 -7.973 50 HD11 LEU 7 HD11 LEU 7 5.221 0.067 -10.350 51 HD12 LEU 7 HD12 LEU 7 4.554 0.537 -8.744 52 HD13 LEU 7 HD13 LEU 7 5.719 -0.833 -8.866 53 HD21 LEU 7 HD21 LEU 7 8.778 1.248 -9.502 54 HD22 LEU 7 HD22 LEU 7 7.767 0.573 -10.841 55 HD23 LEU 7 HD23 LEU 7 8.116 -0.416 -9.373 56 H SER 8 HN SER 8 6.118 5.617 -8.161 57 HA SER 8 HA SER 8 5.248 7.101 -10.364 58 HB2 SER 8 HB1 SER 8 5.683 8.051 -7.478 59 HB3 SER 8 HB2 SER 8 4.594 8.801 -8.709 60 HG SER 8 HG1 SER 8 3.627 7.232 -7.150 61 H GLY 9 HN GLY 9 8.384 6.993 -8.857 62 HA2 GLY 9 HA1 GLY 9 9.189 9.331 -10.520 63 HA3 GLY 9 HA2 GLY 9 10.180 8.478 -9.291 64 H LEU 10 HN LEU 10 9.955 5.821 -10.006 65 HA LEU 10 HA LEU 10 11.871 5.745 -12.022 66 HB2 LEU 10 HB1 LEU 10 11.613 4.220 -10.088 67 HB3 LEU 10 HB2 LEU 10 10.178 3.468 -10.826 68 HG LEU 10 HG LEU 10 12.880 3.490 -12.283 69 HD11 LEU 10 HD11 LEU 10 13.348 2.702 -9.973 70 HD12 LEU 10 HD12 LEU 10 13.475 1.349 -11.152 71 HD13 LEU 10 HD13 LEU 10 12.018 1.490 -10.097 72 HD21 LEU 10 HD21 LEU 10 12.084 1.251 -13.134 73 HD22 LEU 10 HD22 LEU 10 10.973 2.579 -13.614 74 HD23 LEU 10 HD23 LEU 10 10.529 1.477 -12.244 75 H LYS 11 HN LYS 11 8.387 4.744 -12.313 76 HA LYS 11 HA LYS 11 8.792 3.928 -15.053 77 HB2 LYS 11 HB1 LYS 11 6.251 4.317 -13.385 78 HB3 LYS 11 HB2 LYS 11 6.257 3.702 -15.062 79 HG2 LYS 11 HG1 LYS 11 7.681 2.324 -12.696 80 HG3 LYS 11 HG2 LYS 11 6.043 1.927 -13.301 81 HD2 LYS 11 HD1 LYS 11 7.013 1.430 -15.573 82 HD3 LYS 11 HD2 LYS 11 8.663 1.695 -14.911 83 HE2 LYS 11 HE1 LYS 11 8.351 -0.214 -13.308 84 HE3 LYS 11 HE2 LYS 11 6.665 -0.458 -13.914 85 HZ1 LYS 11 HZ1 LYS 11 8.219 -1.979 -14.943 86 HZ2 LYS 11 HZ2 LYS 11 9.155 -0.700 -15.541 87 HZ3 LYS 11 HZ3 LYS 11 7.571 -0.926 -16.099 88 H THR 12 HN THR 12 7.464 6.768 -13.362 89 HA THR 12 HA THR 12 6.580 8.205 -15.540 90 HB THR 12 HB THR 12 7.906 9.332 -13.030 91 HG1 THR 12 HG1 THR 12 6.022 9.059 -12.106 92 HG21 THR 12 HG21 THR 12 6.243 11.199 -13.415 93 HG22 THR 12 HG22 THR 12 5.689 10.402 -14.928 94 HG23 THR 12 HG23 THR 12 7.364 11.069 -14.813 95 H ALA 13 HN ALA 13 9.958 8.208 -14.113 96 HA ALA 13 HA ALA 13 10.982 9.944 -16.079 97 HB1 ALA 13 HB1 ALA 13 12.333 7.683 -14.481 98 HB2 ALA 13 HB2 ALA 13 13.197 9.008 -15.356 99 HB3 ALA 13 HB3 ALA 13 12.147 9.386 -13.943 100 H LEU 14 HN LEU 14 10.850 6.354 -15.990 101 HA LEU 14 HA LEU 14 12.261 5.872 -18.310 102 HB2 LEU 14 HB1 LEU 14 11.762 4.259 -16.464 103 HB3 LEU 14 HB2 LEU 14 10.045 4.240 -16.953 104 HG LEU 14 HG LEU 14 10.721 3.210 -19.167 105 HD11 LEU 14 HD11 LEU 14 13.072 4.027 -19.347 106 HD12 LEU 14 HD12 LEU 14 13.027 2.230 -19.383 107 HD13 LEU 14 HD13 LEU 14 13.527 3.085 -17.879 108 HD21 LEU 14 HD21 LEU 14 11.231 0.961 -18.231 109 HD22 LEU 14 HD22 LEU 14 9.970 1.814 -17.251 110 HD23 LEU 14 HD23 LEU 14 11.676 1.710 -16.652 111 H LYS 15 HN LYS 15 8.680 6.258 -18.030 112 HA LYS 15 HA LYS 15 8.599 6.529 -20.946 113 HB2 LYS 15 HB1 LYS 15 8.390 4.009 -20.066 114 HB3 LYS 15 HB2 LYS 15 6.747 4.523 -19.607 115 HG2 LYS 15 HG1 LYS 15 6.463 3.505 -21.668 116 HG3 LYS 15 HG2 LYS 15 6.447 5.218 -22.133 117 HD2 LYS 15 HD1 LYS 15 8.949 3.365 -22.341 118 HD3 LYS 15 HD2 LYS 15 7.688 3.497 -23.585 119 HE2 LYS 15 HE1 LYS 15 8.957 5.053 -24.582 120 HE3 LYS 15 HE2 LYS 15 8.264 6.174 -23.354 121 HZ1 LYS 15 HZ1 LYS 15 10.524 6.478 -23.286 122 HZ2 LYS 15 HZ2 LYS 15 10.923 4.836 -23.372 123 HZ3 LYS 15 HZ3 LYS 15 10.285 5.505 -21.951 124 H GLY 16 HN GLY 16 7.970 8.189 -18.426 125 HA2 GLY 16 HA1 GLY 16 5.501 9.310 -19.638 126 HA3 GLY 16 HA2 GLY 16 6.146 9.670 -17.990 127 H ALA 17 HN ALA 17 8.336 10.632 -17.910 128 HA ALA 17 HA ALA 17 8.601 12.880 -19.566 129 HB1 ALA 17 HB1 ALA 17 9.499 12.714 -17.227 130 HB2 ALA 17 HB2 ALA 17 10.686 11.474 -17.777 131 HB3 ALA 17 HB3 ALA 17 10.796 13.170 -18.386 132 H ALA 18 HN ALA 18 10.480 9.760 -19.642 133 HA ALA 18 HA ALA 18 11.608 10.539 -22.203 134 HB1 ALA 18 HB1 ALA 18 12.992 9.375 -20.494 135 HB2 ALA 18 HB2 ALA 18 11.900 7.953 -20.579 136 HB3 ALA 18 HB3 ALA 18 12.883 8.433 -22.022 137 H LYS 19 HN LYS 19 8.538 9.868 -21.765 138 HA LYS 19 HA LYS 19 8.417 8.461 -24.365 139 HB2 LYS 19 HB1 LYS 19 6.658 7.669 -22.819 140 HB3 LYS 19 HB2 LYS 19 6.229 9.350 -22.403 141 HG2 LYS 19 HG1 LYS 19 5.435 9.767 -24.708 142 HG3 LYS 19 HG2 LYS 19 5.830 8.089 -25.192 143 HD2 LYS 19 HD1 LYS 19 4.170 7.165 -23.688 144 HD3 LYS 19 HD2 LYS 19 4.030 8.689 -22.767 145 HE2 LYS 19 HE1 LYS 19 3.104 8.414 -25.709 146 HE3 LYS 19 HE2 LYS 19 2.036 8.187 -24.265 147 HZ1 LYS 19 HZ1 LYS 19 2.854 10.497 -23.584 148 HZ2 LYS 19 HZ2 LYS 19 1.841 10.479 -24.953 149 HZ3 LYS 19 HZ3 LYS 19 3.509 10.684 -24.991 150 H GLU 20 HN GLU 20 7.211 11.444 -22.686 151 HA GLU 20 HA GLU 20 6.703 12.817 -25.022 152 HB2 GLU 20 HB1 GLU 20 6.922 13.421 -22.092 153 HB3 GLU 20 HB2 GLU 20 6.934 14.833 -23.193 154 HG2 GLU 20 HG1 GLU 20 4.624 14.086 -22.248 155 HG3 GLU 20 HG2 GLU 20 4.754 14.463 -24.000 156 H LEU 21 HN LEU 21 9.778 12.981 -23.140 157 HA LEU 21 HA LEU 21 10.883 14.910 -24.928 158 HB2 LEU 21 HB1 LEU 21 11.566 14.527 -22.528 159 HB3 LEU 21 HB2 LEU 21 12.230 12.936 -22.995 160 HG LEU 21 HG LEU 21 13.909 14.092 -24.474 161 HD11 LEU 21 HD11 LEU 21 14.261 16.566 -24.230 162 HD12 LEU 21 HD12 LEU 21 12.719 16.691 -23.302 163 HD13 LEU 21 HD13 LEU 21 12.705 16.185 -25.037 164 HD21 LEU 21 HD21 LEU 21 14.468 13.483 -22.121 165 HD22 LEU 21 HD22 LEU 21 13.865 15.090 -21.557 166 HD23 LEU 21 HD23 LEU 21 15.311 14.994 -22.631 167 H ALA 22 HN ALA 22 10.323 11.527 -25.273 168 HA ALA 22 HA ALA 22 12.456 11.214 -27.291 169 HB1 ALA 22 HB1 ALA 22 11.952 8.772 -27.036 170 HB2 ALA 22 HB2 ALA 22 12.357 9.518 -25.445 171 HB3 ALA 22 HB3 ALA 22 10.636 9.178 -25.869 172 H SER 23 HN SER 23 9.385 12.373 -27.233 173 HA SER 23 HA SER 23 7.819 10.633 -28.661 174 HB2 SER 23 HB1 SER 23 6.324 12.657 -29.086 175 HB3 SER 23 HB2 SER 23 6.824 12.443 -27.380 176 HG SER 23 HG1 SER 23 7.959 14.217 -27.475 177 H THR 24 HN THR 24 9.506 13.466 -30.053 178 HA THR 24 HA THR 24 8.726 12.828 -32.740 179 HB THR 24 HB THR 24 11.105 14.495 -31.778 180 HG1 THR 24 HG1 THR 24 8.924 15.183 -31.204 181 HG21 THR 24 HG21 THR 24 9.663 14.320 -34.517 182 HG22 THR 24 HG22 THR 24 11.370 13.829 -34.202 183 HG23 THR 24 HG23 THR 24 10.888 15.556 -34.065 184 H TYR 25 HN TYR 25 11.688 12.139 -30.868 185 HA TYR 25 HA TYR 25 13.154 11.102 -32.995 186 HB2 TYR 25 HB1 TYR 25 13.501 10.561 -29.978 187 HB3 TYR 25 HB2 TYR 25 14.783 10.417 -31.245 188 HD1 TYR 25 HD1 TYR 25 15.028 12.631 -32.766 189 HD2 TYR 25 HD2 TYR 25 13.456 12.554 -28.763 190 HE1 TYR 25 HE1 TYR 25 15.520 15.040 -32.524 191 HE2 TYR 25 HE2 TYR 25 13.950 14.962 -28.524 192 HH TYR 25 HH TYR 25 15.378 16.852 -31.196 193 H LEU 26 HN LEU 26 11.152 9.327 -30.609 194 HA LEU 26 HA LEU 26 11.854 6.804 -31.997 195 HB2 LEU 26 HB1 LEU 26 10.847 7.492 -29.185 196 HB3 LEU 26 HB2 LEU 26 10.697 5.834 -29.841 197 HG LEU 26 HG LEU 26 12.579 5.985 -28.356 198 HD11 LEU 26 HD11 LEU 26 12.624 4.379 -30.287 199 HD12 LEU 26 HD12 LEU 26 14.278 4.888 -29.771 200 HD13 LEU 26 HD13 LEU 26 13.544 5.587 -31.255 201 HD21 LEU 26 HD21 LEU 26 14.629 7.236 -28.763 202 HD22 LEU 26 HD22 LEU 26 13.249 8.407 -28.756 203 HD23 LEU 26 HD23 LEU 26 13.994 7.883 -30.313 204 H HIS 27 HN HIS 27 9.562 9.099 -32.371 205 HA HIS 27 HA HIS 27 7.737 7.216 -33.518 206 HB2 HIS 27 HB1 HIS 27 7.001 7.119 -31.085 207 HB3 HIS 27 HB2 HIS 27 6.705 8.886 -31.132 208 HD2 HIS 27 HD2 HIS 27 5.300 7.266 -34.378 209 HE1 HIS 27 HE1 HIS 27 2.205 7.363 -31.484 210 HE2 HIS 27 HE2 HIS 27 2.781 7.002 -33.951 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 0.833 0.062 -0.018 2 HA2 GLY 1 HA1 GLY 1 0.821 2.014 -1.585 3 HA3 GLY 1 HA2 GLY 1 1.390 2.436 0.082 4 H ILE 2 HN ILE 2 3.784 0.735 -0.554 5 HA ILE 2 HA ILE 2 5.561 2.809 -1.006 6 HB ILE 2 HB ILE 2 6.107 0.818 0.255 7 HG12 ILE 2 HG11 ILE 2 8.061 1.199 -2.093 8 HG13 ILE 2 HG12 ILE 2 7.872 2.341 -0.723 9 HG21 ILE 2 HG21 ILE 2 6.660 -1.329 -0.814 10 HG22 ILE 2 HG22 ILE 2 4.980 -0.890 -1.252 11 HG23 ILE 2 HG23 ILE 2 6.322 -0.673 -2.448 12 HD11 ILE 2 HD1 ILE 2 8.771 -0.613 -0.504 13 HD12 ILE 2 HD2 ILE 2 9.801 0.845 -0.303 14 HD13 ILE 2 HD3 ILE 2 8.502 0.492 0.892 15 H GLY 3 HN GLY 3 4.263 0.549 -3.395 16 HA2 GLY 3 HA1 GLY 3 5.915 1.186 -5.573 17 HA3 GLY 3 HA2 GLY 3 4.207 0.638 -5.651 18 H GLY 4 HN GLY 4 3.182 3.023 -4.232 19 HA2 GLY 4 HA1 GLY 4 3.003 4.799 -6.517 20 HA3 GLY 4 HA2 GLY 4 2.166 4.919 -4.930 21 H LYS 5 HN LYS 5 5.202 4.533 -3.968 22 HA LYS 5 HA LYS 5 5.909 7.388 -4.192 23 HB2 LYS 5 HB1 LYS 5 5.820 6.300 -1.906 24 HB3 LYS 5 HB2 LYS 5 7.096 5.170 -2.425 25 HG2 LYS 5 HG1 LYS 5 8.080 6.906 -1.067 26 HG3 LYS 5 HG2 LYS 5 8.673 7.127 -2.744 27 HD2 LYS 5 HD1 LYS 5 7.073 8.965 -3.137 28 HD3 LYS 5 HD2 LYS 5 6.300 8.718 -1.550 29 HE2 LYS 5 HE1 LYS 5 9.242 9.616 -1.989 30 HE3 LYS 5 HE2 LYS 5 7.855 10.726 -1.651 31 HZ1 LYS 5 HZ1 LYS 5 7.505 9.576 0.438 32 HZ2 LYS 5 HZ2 LYS 5 9.079 10.197 0.348 33 HZ3 LYS 5 HZ3 LYS 5 8.807 8.537 0.132 34 H ILE 6 HN ILE 6 7.429 4.097 -4.547 35 HA ILE 6 HA ILE 6 9.706 5.251 -5.770 36 HB ILE 6 HB ILE 6 10.577 3.048 -6.109 37 HG12 ILE 6 HG11 ILE 6 7.867 2.016 -5.066 38 HG13 ILE 6 HG12 ILE 6 8.483 1.824 -6.743 39 HG21 ILE 6 HG21 ILE 6 10.679 4.306 -3.907 40 HG22 ILE 6 HG22 ILE 6 9.230 3.384 -3.345 41 HG23 ILE 6 HG23 ILE 6 10.764 2.524 -3.713 42 HD11 ILE 6 HD1 ILE 6 8.857 -0.266 -5.515 43 HD12 ILE 6 HD2 ILE 6 10.452 0.501 -5.846 44 HD13 ILE 6 HD3 ILE 6 9.727 0.592 -4.199 45 H LEU 7 HN LEU 7 6.865 3.613 -7.360 46 HA LEU 7 HA LEU 7 8.259 3.599 -9.867 47 HB2 LEU 7 HB1 LEU 7 5.288 3.178 -9.272 48 HB3 LEU 7 HB2 LEU 7 6.096 2.843 -10.833 49 HG LEU 7 HG LEU 7 6.686 1.431 -8.165 50 HD11 LEU 7 HD11 LEU 7 5.193 0.449 -10.676 51 HD12 LEU 7 HD12 LEU 7 4.447 0.880 -9.093 52 HD13 LEU 7 HD13 LEU 7 5.566 -0.530 -9.209 53 HD21 LEU 7 HD21 LEU 7 7.770 0.870 -11.004 54 HD22 LEU 7 HD22 LEU 7 7.995 -0.194 -9.568 55 HD23 LEU 7 HD23 LEU 7 8.734 1.444 -9.583 56 H SER 8 HN SER 8 6.315 5.891 -8.161 57 HA SER 8 HA SER 8 5.528 7.522 -10.284 58 HB2 SER 8 HB1 SER 8 6.060 8.230 -7.346 59 HB3 SER 8 HB2 SER 8 5.117 9.234 -8.517 60 HG SER 8 HG1 SER 8 3.994 7.577 -7.064 61 H GLY 9 HN GLY 9 8.675 7.110 -8.861 62 HA2 GLY 9 HA1 GLY 9 9.616 9.320 -10.638 63 HA3 GLY 9 HA2 GLY 9 10.574 8.515 -9.352 64 H LEU 10 HN LEU 10 10.178 5.863 -9.817 65 HA LEU 10 HA LEU 10 12.127 5.461 -11.717 66 HB2 LEU 10 HB1 LEU 10 11.719 4.239 -9.597 67 HB3 LEU 10 HB2 LEU 10 10.311 3.420 -10.308 68 HG LEU 10 HG LEU 10 12.520 2.160 -10.035 69 HD11 LEU 10 HD11 LEU 10 12.246 0.774 -12.022 70 HD12 LEU 10 HD12 LEU 10 11.289 2.066 -12.843 71 HD13 LEU 10 HD13 LEU 10 10.643 1.256 -11.359 72 HD21 LEU 10 HD21 LEU 10 14.259 2.309 -11.752 73 HD22 LEU 10 HD22 LEU 10 14.077 3.892 -10.920 74 HD23 LEU 10 HD23 LEU 10 13.403 3.660 -12.578 75 H LYS 11 HN LYS 11 8.592 5.017 -12.185 76 HA LYS 11 HA LYS 11 9.201 4.244 -14.989 77 HB2 LYS 11 HB1 LYS 11 6.847 3.606 -13.171 78 HB3 LYS 11 HB2 LYS 11 6.748 3.429 -14.948 79 HG2 LYS 11 HG1 LYS 11 8.890 2.003 -13.245 80 HG3 LYS 11 HG2 LYS 11 7.294 1.316 -13.636 81 HD2 LYS 11 HD1 LYS 11 7.993 0.558 -15.580 82 HD3 LYS 11 HD2 LYS 11 8.328 2.198 -16.175 83 HE2 LYS 11 HE1 LYS 11 10.367 0.520 -14.533 84 HE3 LYS 11 HE2 LYS 11 10.232 0.445 -16.331 85 HZ1 LYS 11 HZ1 LYS 11 10.865 2.914 -14.767 86 HZ2 LYS 11 HZ2 LYS 11 10.675 2.810 -16.426 87 HZ3 LYS 11 HZ3 LYS 11 11.936 1.983 -15.678 88 H THR 12 HN THR 12 7.673 6.784 -12.988 89 HA THR 12 HA THR 12 6.437 8.026 -15.183 90 HB THR 12 HB THR 12 7.809 9.436 -12.858 91 HG1 THR 12 HG1 THR 12 5.928 9.223 -11.877 92 HG21 THR 12 HG21 THR 12 7.102 10.991 -14.749 93 HG22 THR 12 HG22 THR 12 6.031 11.176 -13.323 94 HG23 THR 12 HG23 THR 12 5.468 10.229 -14.743 95 H ALA 13 HN ALA 13 9.861 8.464 -13.940 96 HA ALA 13 HA ALA 13 10.524 10.148 -16.132 97 HB1 ALA 13 HB1 ALA 13 12.306 8.486 -14.246 98 HB2 ALA 13 HB2 ALA 13 12.873 9.806 -15.344 99 HB3 ALA 13 HB3 ALA 13 11.766 10.179 -13.979 100 H LEU 14 HN LEU 14 11.209 6.673 -15.472 101 HA LEU 14 HA LEU 14 12.113 6.402 -18.254 102 HB2 LEU 14 HB1 LEU 14 13.622 5.736 -16.421 103 HB3 LEU 14 HB2 LEU 14 12.449 4.510 -15.885 104 HG LEU 14 HG LEU 14 12.743 3.336 -18.135 105 HD11 LEU 14 HD11 LEU 14 13.425 5.248 -19.578 106 HD12 LEU 14 HD12 LEU 14 14.697 3.981 -19.572 107 HD13 LEU 14 HD13 LEU 14 14.921 5.473 -18.595 108 HD21 LEU 14 HD21 LEU 14 14.112 2.686 -16.107 109 HD22 LEU 14 HD22 LEU 14 15.369 3.873 -16.610 110 HD23 LEU 14 HD23 LEU 14 15.016 2.456 -17.654 111 H LYS 15 HN LYS 15 9.697 6.846 -18.486 112 HA LYS 15 HA LYS 15 9.060 5.043 -20.321 113 HB2 LYS 15 HB1 LYS 15 8.203 3.360 -18.705 114 HB3 LYS 15 HB2 LYS 15 7.140 4.594 -17.962 115 HG2 LYS 15 HG1 LYS 15 5.818 3.100 -19.377 116 HG3 LYS 15 HG2 LYS 15 5.807 4.757 -20.048 117 HD2 LYS 15 HD1 LYS 15 7.758 3.958 -21.613 118 HD3 LYS 15 HD2 LYS 15 7.332 2.297 -21.129 119 HE2 LYS 15 HE1 LYS 15 5.501 4.405 -22.508 120 HE3 LYS 15 HE2 LYS 15 6.312 3.015 -23.328 121 HZ1 LYS 15 HZ1 LYS 15 4.009 2.550 -22.821 122 HZ2 LYS 15 HZ2 LYS 15 4.273 2.820 -21.167 123 HZ3 LYS 15 HZ3 LYS 15 5.027 1.514 -21.948 124 H GLY 16 HN GLY 16 7.452 7.269 -17.964 125 HA2 GLY 16 HA1 GLY 16 5.693 8.346 -19.962 126 HA3 GLY 16 HA2 GLY 16 6.055 9.003 -18.325 127 H ALA 17 HN ALA 17 8.235 10.077 -18.121 128 HA ALA 17 HA ALA 17 8.433 12.212 -19.872 129 HB1 ALA 17 HB1 ALA 17 10.431 12.850 -18.623 130 HB2 ALA 17 HB2 ALA 17 9.199 12.213 -17.486 131 HB3 ALA 17 HB3 ALA 17 10.608 11.176 -17.967 132 H ALA 18 HN ALA 18 10.392 9.212 -19.752 133 HA ALA 18 HA ALA 18 12.085 9.643 -21.864 134 HB1 ALA 18 HB1 ALA 18 12.101 7.157 -22.126 135 HB2 ALA 18 HB2 ALA 18 12.093 7.628 -20.388 136 HB3 ALA 18 HB3 ALA 18 10.569 7.053 -21.171 137 H LYS 19 HN LYS 19 8.622 8.548 -22.245 138 HA LYS 19 HA LYS 19 8.849 8.443 -25.097 139 HB2 LYS 19 HB1 LYS 19 7.096 7.337 -23.441 140 HB3 LYS 19 HB2 LYS 19 6.196 8.854 -23.636 141 HG2 LYS 19 HG1 LYS 19 7.044 6.798 -25.792 142 HG3 LYS 19 HG2 LYS 19 5.396 7.025 -25.139 143 HD2 LYS 19 HD1 LYS 19 6.945 8.939 -26.991 144 HD3 LYS 19 HD2 LYS 19 5.593 7.866 -27.429 145 HE2 LYS 19 HE1 LYS 19 4.030 9.172 -25.963 146 HE3 LYS 19 HE2 LYS 19 5.369 10.306 -25.525 147 HZ1 LYS 19 HZ1 LYS 19 4.516 9.783 -28.330 148 HZ2 LYS 19 HZ2 LYS 19 5.513 11.015 -27.794 149 HZ3 LYS 19 HZ3 LYS 19 3.895 11.039 -27.391 150 H GLU 20 HN GLU 20 7.778 10.923 -22.752 151 HA GLU 20 HA GLU 20 6.737 12.801 -24.532 152 HB2 GLU 20 HB1 GLU 20 6.418 12.554 -22.062 153 HB3 GLU 20 HB2 GLU 20 8.126 12.994 -21.806 154 HG2 GLU 20 HG1 GLU 20 7.693 15.329 -22.567 155 HG3 GLU 20 HG2 GLU 20 5.963 14.904 -22.921 156 H LEU 21 HN LEU 21 10.034 12.671 -23.072 157 HA LEU 21 HA LEU 21 11.120 14.796 -24.518 158 HB2 LEU 21 HB1 LEU 21 11.929 13.813 -22.372 159 HB3 LEU 21 HB2 LEU 21 12.450 12.336 -23.217 160 HG LEU 21 HG LEU 21 14.225 14.001 -22.511 161 HD11 LEU 21 HD11 LEU 21 14.306 13.430 -25.530 162 HD12 LEU 21 HD12 LEU 21 14.679 12.232 -24.231 163 HD13 LEU 21 HD13 LEU 21 15.689 13.714 -24.424 164 HD21 LEU 21 HD21 LEU 21 13.257 15.709 -24.883 165 HD22 LEU 21 HD22 LEU 21 14.690 16.015 -23.839 166 HD23 LEU 21 HD23 LEU 21 13.029 16.113 -23.139 167 H ALA 22 HN ALA 22 11.100 11.269 -25.265 168 HA ALA 22 HA ALA 22 12.690 11.759 -27.641 169 HB1 ALA 22 HB1 ALA 22 12.697 9.289 -27.840 170 HB2 ALA 22 HB2 ALA 22 13.098 9.779 -26.153 171 HB3 ALA 22 HB3 ALA 22 11.449 9.174 -26.541 172 H SER 23 HN SER 23 9.620 12.506 -27.197 173 HA SER 23 HA SER 23 8.069 10.876 -28.764 174 HB2 SER 23 HB1 SER 23 7.272 12.680 -27.138 175 HB3 SER 23 HB2 SER 23 7.561 13.894 -28.410 176 HG SER 23 HG1 SER 23 5.976 12.951 -29.626 177 H THR 24 HN THR 24 9.839 13.800 -29.876 178 HA THR 24 HA THR 24 8.813 13.870 -32.454 179 HB THR 24 HB THR 24 11.644 14.697 -31.673 180 HG1 THR 24 HG1 THR 24 10.651 16.619 -31.014 181 HG21 THR 24 HG21 THR 24 10.928 15.040 -34.093 182 HG22 THR 24 HG22 THR 24 11.117 16.608 -33.241 183 HG23 THR 24 HG23 THR 24 9.470 15.930 -33.522 184 H TYR 25 HN TYR 25 11.226 11.734 -31.066 185 HA TYR 25 HA TYR 25 12.385 11.190 -33.732 186 HB2 TYR 25 HB1 TYR 25 13.596 10.456 -31.000 187 HB3 TYR 25 HB2 TYR 25 14.441 10.628 -32.584 188 HD1 TYR 25 HD1 TYR 25 14.201 13.096 -33.664 189 HD2 TYR 25 HD2 TYR 25 13.705 12.171 -29.501 190 HE1 TYR 25 HE1 TYR 25 14.571 15.482 -33.083 191 HE2 TYR 25 HE2 TYR 25 14.038 14.549 -28.921 192 HH TYR 25 HH TYR 25 14.467 16.608 -29.692 193 H LEU 26 HN LEU 26 11.100 9.569 -30.797 194 HA LEU 26 HA LEU 26 11.197 6.974 -32.213 195 HB2 LEU 26 HB1 LEU 26 11.162 7.814 -29.266 196 HB3 LEU 26 HB2 LEU 26 10.677 6.161 -29.751 197 HG LEU 26 HG LEU 26 12.933 6.165 -28.941 198 HD11 LEU 26 HD11 LEU 26 14.005 4.884 -30.748 199 HD12 LEU 26 HD12 LEU 26 12.912 5.614 -31.972 200 HD13 LEU 26 HD13 LEU 26 12.238 4.520 -30.706 201 HD21 LEU 26 HD21 LEU 26 13.802 7.901 -31.324 202 HD22 LEU 26 HD22 LEU 26 14.847 7.194 -30.048 203 HD23 LEU 26 HD23 LEU 26 13.664 8.490 -29.621 204 H HIS 27 HN HIS 27 9.085 9.396 -32.120 205 HA HIS 27 HA HIS 27 6.910 7.547 -32.536 206 HB2 HIS 27 HB1 HIS 27 6.802 7.977 -30.018 207 HB3 HIS 27 HB2 HIS 27 6.552 9.720 -30.377 208 HD2 HIS 27 HD2 HIS 27 4.450 7.473 -32.778 209 HE1 HIS 27 HE1 HIS 27 1.984 8.512 -29.503 210 HE2 HIS 27 HE2 HIS 27 2.067 7.522 -31.850 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 1.776 -1.065 -0.139 2 HA2 GLY 1 HA1 GLY 1 1.219 0.951 -1.537 3 HA3 GLY 1 HA2 GLY 1 1.682 1.339 0.171 4 H ILE 2 HN ILE 2 4.448 0.495 -0.428 5 HA ILE 2 HA ILE 2 5.475 3.051 -0.884 6 HB ILE 2 HB ILE 2 7.664 2.176 -0.666 7 HG12 ILE 2 HG11 ILE 2 7.635 0.183 -2.110 8 HG13 ILE 2 HG12 ILE 2 8.277 -0.139 -0.483 9 HG21 ILE 2 HG21 ILE 2 7.445 1.126 1.554 10 HG22 ILE 2 HG22 ILE 2 6.239 2.447 1.358 11 HG23 ILE 2 HG23 ILE 2 5.723 0.725 1.251 12 HD11 ILE 2 HD1 ILE 2 6.098 -1.242 0.181 13 HD12 ILE 2 HD2 ILE 2 5.489 -1.009 -1.504 14 HD13 ILE 2 HD3 ILE 2 6.919 -2.044 -1.194 15 H GLY 3 HN GLY 3 4.726 0.592 -3.148 16 HA2 GLY 3 HA1 GLY 3 6.340 1.296 -5.346 17 HA3 GLY 3 HA2 GLY 3 4.686 0.593 -5.404 18 H GLY 4 HN GLY 4 3.447 2.902 -4.033 19 HA2 GLY 4 HA1 GLY 4 3.101 4.616 -6.333 20 HA3 GLY 4 HA2 GLY 4 2.304 4.719 -4.725 21 H LYS 5 HN LYS 5 5.408 4.585 -3.883 22 HA LYS 5 HA LYS 5 5.893 7.484 -4.203 23 HB2 LYS 5 HB1 LYS 5 5.900 6.427 -1.886 24 HB3 LYS 5 HB2 LYS 5 7.323 5.469 -2.376 25 HG2 LYS 5 HG1 LYS 5 8.583 7.639 -2.793 26 HG3 LYS 5 HG2 LYS 5 7.116 8.548 -2.294 27 HD2 LYS 5 HD1 LYS 5 7.243 7.342 -0.018 28 HD3 LYS 5 HD2 LYS 5 8.739 6.555 -0.578 29 HE2 LYS 5 HE1 LYS 5 9.381 8.395 0.881 30 HE3 LYS 5 HE2 LYS 5 9.846 8.844 -0.807 31 HZ1 LYS 5 HZ1 LYS 5 8.768 10.658 0.358 32 HZ2 LYS 5 HZ2 LYS 5 7.388 9.720 0.641 33 HZ3 LYS 5 HZ3 LYS 5 7.808 10.146 -0.944 34 H ILE 6 HN ILE 6 7.675 4.309 -4.402 35 HA ILE 6 HA ILE 6 9.823 5.555 -5.745 36 HB ILE 6 HB ILE 6 10.847 3.401 -5.994 37 HG12 ILE 6 HG11 ILE 6 8.250 2.235 -4.813 38 HG13 ILE 6 HG12 ILE 6 8.813 2.010 -6.504 39 HG21 ILE 6 HG21 ILE 6 10.908 4.781 -3.866 40 HG22 ILE 6 HG22 ILE 6 9.539 3.794 -3.219 41 HG23 ILE 6 HG23 ILE 6 11.122 3.022 -3.580 42 HD11 ILE 6 HD1 ILE 6 10.242 0.992 -3.963 43 HD12 ILE 6 HD2 ILE 6 9.384 0.010 -5.197 44 HD13 ILE 6 HD3 ILE 6 10.905 0.871 -5.634 45 H LEU 7 HN LEU 7 7.068 3.670 -7.189 46 HA LEU 7 HA LEU 7 8.420 3.648 -9.732 47 HB2 LEU 7 HB1 LEU 7 5.502 3.019 -9.063 48 HB3 LEU 7 HB2 LEU 7 6.313 2.674 -10.617 49 HG LEU 7 HG LEU 7 7.033 1.439 -7.891 50 HD11 LEU 7 HD11 LEU 7 4.832 0.686 -8.752 51 HD12 LEU 7 HD12 LEU 7 6.041 -0.648 -8.818 52 HD13 LEU 7 HD13 LEU 7 5.577 0.230 -10.326 53 HD21 LEU 7 HD21 LEU 7 8.449 -0.151 -9.207 54 HD22 LEU 7 HD22 LEU 7 9.055 1.536 -9.343 55 HD23 LEU 7 HD23 LEU 7 8.116 0.798 -10.709 56 H SER 8 HN SER 8 6.302 5.832 -8.052 57 HA SER 8 HA SER 8 5.367 7.306 -10.246 58 HB2 SER 8 HB1 SER 8 5.809 8.182 -7.336 59 HB3 SER 8 HB2 SER 8 4.760 9.017 -8.549 60 HG SER 8 HG1 SER 8 3.817 7.352 -7.012 61 H GLY 9 HN GLY 9 8.512 7.225 -8.770 62 HA2 GLY 9 HA1 GLY 9 9.276 9.536 -10.500 63 HA3 GLY 9 HA2 GLY 9 10.284 8.763 -9.233 64 H LEU 10 HN LEU 10 10.162 6.090 -9.801 65 HA LEU 10 HA LEU 10 12.071 6.007 -11.819 66 HB2 LEU 10 HB1 LEU 10 11.953 4.602 -9.790 67 HB3 LEU 10 HB2 LEU 10 10.538 3.733 -10.427 68 HG LEU 10 HG LEU 10 12.805 2.581 -10.467 69 HD11 LEU 10 HD11 LEU 10 12.491 1.379 -12.541 70 HD12 LEU 10 HD12 LEU 10 11.493 2.703 -13.241 71 HD13 LEU 10 HD13 LEU 10 10.871 1.762 -11.817 72 HD21 LEU 10 HD21 LEU 10 14.429 3.025 -12.251 73 HD22 LEU 10 HD22 LEU 10 14.198 4.503 -11.253 74 HD23 LEU 10 HD23 LEU 10 13.438 4.384 -12.884 75 H LYS 11 HN LYS 11 8.620 4.866 -12.055 76 HA LYS 11 HA LYS 11 9.178 3.982 -14.794 77 HB2 LYS 11 HB1 LYS 11 6.711 3.817 -12.997 78 HB3 LYS 11 HB2 LYS 11 6.668 3.376 -14.727 79 HG2 LYS 11 HG1 LYS 11 8.526 2.041 -12.669 80 HG3 LYS 11 HG2 LYS 11 6.916 1.424 -13.181 81 HD2 LYS 11 HD1 LYS 11 7.718 1.440 -15.589 82 HD3 LYS 11 HD2 LYS 11 9.370 1.805 -15.029 83 HE2 LYS 11 HE1 LYS 11 7.715 -0.724 -14.296 84 HE3 LYS 11 HE2 LYS 11 8.992 -0.638 -15.572 85 HZ1 LYS 11 HZ1 LYS 11 9.866 -1.523 -13.534 86 HZ2 LYS 11 HZ2 LYS 11 9.380 -0.150 -12.662 87 HZ3 LYS 11 HZ3 LYS 11 10.580 -0.019 -13.854 88 H THR 12 HN THR 12 7.708 6.730 -13.092 89 HA THR 12 HA THR 12 6.576 7.963 -15.325 90 HB THR 12 HB THR 12 7.975 9.320 -12.976 91 HG1 THR 12 HG1 THR 12 6.096 9.124 -11.990 92 HG21 THR 12 HG21 THR 12 7.348 10.905 -14.869 93 HG22 THR 12 HG22 THR 12 6.269 11.127 -13.451 94 HG23 THR 12 HG23 THR 12 5.684 10.207 -14.880 95 H ALA 13 HN ALA 13 9.991 8.220 -14.053 96 HA ALA 13 HA ALA 13 10.871 9.804 -16.209 97 HB1 ALA 13 HB1 ALA 13 12.077 9.584 -14.037 98 HB2 ALA 13 HB2 ALA 13 12.393 7.849 -14.378 99 HB3 ALA 13 HB3 ALA 13 13.149 9.128 -15.409 100 H LEU 14 HN LEU 14 11.061 6.232 -15.724 101 HA LEU 14 HA LEU 14 12.439 5.731 -18.090 102 HB2 LEU 14 HB1 LEU 14 12.325 4.268 -16.050 103 HB3 LEU 14 HB2 LEU 14 10.634 3.859 -16.462 104 HG LEU 14 HG LEU 14 11.456 2.780 -18.600 105 HD11 LEU 14 HD11 LEU 14 13.559 4.050 -18.992 106 HD12 LEU 14 HD12 LEU 14 13.914 2.297 -18.846 107 HD13 LEU 14 HD13 LEU 14 14.262 3.398 -17.466 108 HD21 LEU 14 HD21 LEU 14 12.804 1.768 -16.020 109 HD22 LEU 14 HD22 LEU 14 12.504 0.797 -17.507 110 HD23 LEU 14 HD23 LEU 14 11.104 1.420 -16.548 111 H LYS 15 HN LYS 15 8.900 5.916 -17.592 112 HA LYS 15 HA LYS 15 8.708 5.464 -20.482 113 HB2 LYS 15 HB1 LYS 15 7.649 3.639 -19.034 114 HB3 LYS 15 HB2 LYS 15 6.362 4.838 -18.719 115 HG2 LYS 15 HG1 LYS 15 5.697 3.440 -20.565 116 HG3 LYS 15 HG2 LYS 15 6.015 5.048 -21.254 117 HD2 LYS 15 HD1 LYS 15 8.103 2.743 -21.336 118 HD3 LYS 15 HD2 LYS 15 6.757 2.881 -22.486 119 HE2 LYS 15 HE1 LYS 15 8.086 4.035 -23.852 120 HE3 LYS 15 HE2 LYS 15 7.807 5.437 -22.758 121 HZ1 LYS 15 HZ1 LYS 15 9.876 4.693 -21.542 122 HZ2 LYS 15 HZ2 LYS 15 10.116 5.175 -23.137 123 HZ3 LYS 15 HZ3 LYS 15 10.108 3.531 -22.742 124 H GLY 16 HN GLY 16 6.805 7.336 -18.032 125 HA2 GLY 16 HA1 GLY 16 5.499 8.823 -19.997 126 HA3 GLY 16 HA2 GLY 16 5.837 9.352 -18.315 127 H ALA 17 HN ALA 17 8.306 10.117 -18.098 128 HA ALA 17 HA ALA 17 8.486 12.425 -19.708 129 HB1 ALA 17 HB1 ALA 17 10.665 12.792 -18.548 130 HB2 ALA 17 HB2 ALA 17 9.416 12.233 -17.378 131 HB3 ALA 17 HB3 ALA 17 10.659 11.076 -17.988 132 H ALA 18 HN ALA 18 10.324 9.403 -19.817 133 HA ALA 18 HA ALA 18 11.923 9.799 -21.980 134 HB1 ALA 18 HB1 ALA 18 11.994 7.311 -22.113 135 HB2 ALA 18 HB2 ALA 18 12.096 7.905 -20.424 136 HB3 ALA 18 HB3 ALA 18 10.533 7.246 -21.032 137 H LYS 19 HN LYS 19 8.523 8.506 -22.308 138 HA LYS 19 HA LYS 19 8.592 8.910 -25.133 139 HB2 LYS 19 HB1 LYS 19 6.912 7.485 -23.700 140 HB3 LYS 19 HB2 LYS 19 6.100 9.038 -23.386 141 HG2 LYS 19 HG1 LYS 19 6.187 9.259 -26.096 142 HG3 LYS 19 HG2 LYS 19 6.537 7.525 -26.031 143 HD2 LYS 19 HD1 LYS 19 4.299 7.264 -26.135 144 HD3 LYS 19 HD2 LYS 19 4.259 7.670 -24.392 145 HE2 LYS 19 HE1 LYS 19 3.940 9.660 -26.769 146 HE3 LYS 19 HE2 LYS 19 2.577 8.973 -25.812 147 HZ1 LYS 19 HZ1 LYS 19 4.663 10.246 -24.229 148 HZ2 LYS 19 HZ2 LYS 19 2.988 10.344 -24.122 149 HZ3 LYS 19 HZ3 LYS 19 3.832 11.292 -25.208 150 H GLU 20 HN GLU 20 7.416 11.233 -22.505 151 HA GLU 20 HA GLU 20 6.488 13.044 -24.411 152 HB2 GLU 20 HB1 GLU 20 7.145 13.008 -21.513 153 HB3 GLU 20 HB2 GLU 20 7.305 14.638 -22.234 154 HG2 GLU 20 HG1 GLU 20 5.008 14.061 -21.187 155 HG3 GLU 20 HG2 GLU 20 5.003 14.757 -22.848 156 H LEU 21 HN LEU 21 9.817 12.832 -23.126 157 HA LEU 21 HA LEU 21 10.789 14.904 -24.785 158 HB2 LEU 21 HB1 LEU 21 11.857 13.871 -22.724 159 HB3 LEU 21 HB2 LEU 21 12.251 12.415 -23.667 160 HG LEU 21 HG LEU 21 13.240 15.210 -24.482 161 HD11 LEU 21 HD11 LEU 21 13.850 14.869 -22.092 162 HD12 LEU 21 HD12 LEU 21 15.307 14.802 -23.152 163 HD13 LEU 21 HD13 LEU 21 14.599 13.276 -22.500 164 HD21 LEU 21 HD21 LEU 21 14.393 12.377 -24.957 165 HD22 LEU 21 HD22 LEU 21 15.210 13.920 -25.406 166 HD23 LEU 21 HD23 LEU 21 13.672 13.468 -26.205 167 H ALA 22 HN ALA 22 10.527 11.327 -25.375 168 HA ALA 22 HA ALA 22 11.935 11.718 -27.877 169 HB1 ALA 22 HB1 ALA 22 12.504 9.852 -26.315 170 HB2 ALA 22 HB2 ALA 22 10.876 9.142 -26.615 171 HB3 ALA 22 HB3 ALA 22 12.066 9.279 -27.965 172 H SER 23 HN SER 23 8.630 12.069 -27.296 173 HA SER 23 HA SER 23 7.653 10.563 -29.496 174 HB2 SER 23 HB1 SER 23 6.463 12.777 -27.823 175 HB3 SER 23 HB2 SER 23 5.695 12.440 -29.409 176 HG SER 23 HG1 SER 23 5.479 10.284 -28.819 177 H THR 24 HN THR 24 9.529 13.466 -29.591 178 HA THR 24 HA THR 24 8.668 14.089 -32.299 179 HB THR 24 HB THR 24 9.468 15.930 -31.049 180 HG1 THR 24 HG1 THR 24 10.257 15.652 -33.303 181 HG21 THR 24 HG21 THR 24 12.045 14.288 -30.612 182 HG22 THR 24 HG22 THR 24 10.867 14.802 -29.337 183 HG23 THR 24 HG23 THR 24 11.846 16.024 -30.209 184 H TYR 25 HN TYR 25 10.809 11.693 -30.887 185 HA TYR 25 HA TYR 25 12.177 11.354 -33.501 186 HB2 TYR 25 HB1 TYR 25 13.021 10.356 -30.707 187 HB3 TYR 25 HB2 TYR 25 14.010 10.300 -32.216 188 HD1 TYR 25 HD1 TYR 25 13.795 12.981 -33.359 189 HD2 TYR 25 HD2 TYR 25 14.046 11.780 -29.233 190 HE1 TYR 25 HE1 TYR 25 14.748 15.175 -32.778 191 HE2 TYR 25 HE2 TYR 25 15.013 13.992 -28.659 192 HH TYR 25 HH TYR 25 15.451 16.522 -31.128 193 H LEU 26 HN LEU 26 10.532 9.548 -30.885 194 HA LEU 26 HA LEU 26 10.432 7.141 -32.605 195 HB2 LEU 26 HB1 LEU 26 10.566 7.510 -29.545 196 HB3 LEU 26 HB2 LEU 26 10.023 5.979 -30.298 197 HG LEU 26 HG LEU 26 12.238 5.684 -29.572 198 HD11 LEU 26 HD11 LEU 26 12.306 5.942 -32.640 199 HD12 LEU 26 HD12 LEU 26 11.552 4.584 -31.725 200 HD13 LEU 26 HD13 LEU 26 13.331 4.873 -31.623 201 HD21 LEU 26 HD21 LEU 26 13.255 7.929 -31.398 202 HD22 LEU 26 HD22 LEU 26 14.216 6.891 -30.295 203 HD23 LEU 26 HD23 LEU 26 13.046 8.085 -29.607 204 H HIS 27 HN HIS 27 8.675 9.627 -32.184 205 HA HIS 27 HA HIS 27 6.502 10.172 -32.023 206 HB2 HIS 27 HB1 HIS 27 6.330 7.776 -33.882 207 HB3 HIS 27 HB2 HIS 27 5.323 9.280 -33.923 208 HD2 HIS 27 HD2 HIS 27 7.191 11.715 -34.156 209 HE1 HIS 27 HE1 HIS 27 10.254 9.330 -35.862 210 HE2 HIS 27 HE2 HIS 27 9.538 11.696 -35.212 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 1.107 -0.048 0.195 2 HA2 GLY 1 HA1 GLY 1 0.933 1.850 -1.425 3 HA3 GLY 1 HA2 GLY 1 1.445 2.369 0.233 4 H ILE 2 HN ILE 2 3.982 0.835 -0.394 5 HA ILE 2 HA ILE 2 5.588 3.043 -0.912 6 HB ILE 2 HB ILE 2 6.315 1.132 0.386 7 HG12 ILE 2 HG11 ILE 2 8.191 1.591 -2.010 8 HG13 ILE 2 HG12 ILE 2 7.930 2.770 -0.683 9 HG21 ILE 2 HG21 ILE 2 6.600 -0.405 -2.284 10 HG22 ILE 2 HG22 ILE 2 7.022 -0.989 -0.643 11 HG23 ILE 2 HG23 ILE 2 5.305 -0.698 -1.054 12 HD11 ILE 2 HD1 ILE 2 8.739 1.043 0.991 13 HD12 ILE 2 HD2 ILE 2 9.068 -0.091 -0.365 14 HD13 ILE 2 HD3 ILE 2 9.986 1.447 -0.244 15 H GLY 3 HN GLY 3 4.427 0.628 -3.186 16 HA2 GLY 3 HA1 GLY 3 5.922 1.248 -5.465 17 HA3 GLY 3 HA2 GLY 3 4.235 0.633 -5.425 18 H GLY 4 HN GLY 4 3.241 3.029 -4.014 19 HA2 GLY 4 HA1 GLY 4 2.633 4.590 -6.341 20 HA3 GLY 4 HA2 GLY 4 2.048 4.804 -4.654 21 H LYS 5 HN LYS 5 5.284 4.756 -4.278 22 HA LYS 5 HA LYS 5 5.689 7.484 -5.350 23 HB2 LYS 5 HB1 LYS 5 6.843 8.309 -3.436 24 HB3 LYS 5 HB2 LYS 5 5.206 7.758 -3.015 25 HG2 LYS 5 HG1 LYS 5 6.293 6.986 -1.211 26 HG3 LYS 5 HG2 LYS 5 6.414 5.512 -2.215 27 HD2 LYS 5 HD1 LYS 5 8.746 6.079 -2.833 28 HD3 LYS 5 HD2 LYS 5 8.622 7.690 -2.087 29 HE2 LYS 5 HE1 LYS 5 8.483 5.012 -0.525 30 HE3 LYS 5 HE2 LYS 5 9.965 6.031 -0.714 31 HZ1 LYS 5 HZ1 LYS 5 8.837 6.472 1.367 32 HZ2 LYS 5 HZ2 LYS 5 7.411 6.898 0.556 33 HZ3 LYS 5 HZ3 LYS 5 8.803 7.842 0.374 34 H ILE 6 HN ILE 6 7.247 4.288 -4.666 35 HA ILE 6 HA ILE 6 9.674 5.262 -5.832 36 HB ILE 6 HB ILE 6 10.526 3.055 -5.915 37 HG12 ILE 6 HG11 ILE 6 7.774 2.108 -4.920 38 HG13 ILE 6 HG12 ILE 6 8.458 1.784 -6.551 39 HG21 ILE 6 HG21 ILE 6 9.040 3.632 -3.269 40 HG22 ILE 6 HG22 ILE 6 10.584 2.730 -3.476 41 HG23 ILE 6 HG23 ILE 6 10.532 4.490 -3.832 42 HD11 ILE 6 HD1 ILE 6 9.599 0.759 -3.869 43 HD12 ILE 6 HD2 ILE 6 8.779 -0.202 -5.144 44 HD13 ILE 6 HD3 ILE 6 10.386 0.539 -5.475 45 H LEU 7 HN LEU 7 6.853 3.534 -7.320 46 HA LEU 7 HA LEU 7 8.155 3.415 -9.864 47 HB2 LEU 7 HB1 LEU 7 5.183 3.162 -9.170 48 HB3 LEU 7 HB2 LEU 7 5.922 2.755 -10.746 49 HG LEU 7 HG LEU 7 6.539 1.366 -8.069 50 HD11 LEU 7 HD11 LEU 7 5.249 -0.546 -9.008 51 HD12 LEU 7 HD12 LEU 7 4.863 0.424 -10.479 52 HD13 LEU 7 HD13 LEU 7 4.228 0.933 -8.873 53 HD21 LEU 7 HD21 LEU 7 7.433 0.665 -10.940 54 HD22 LEU 7 HD22 LEU 7 7.680 -0.365 -9.481 55 HD23 LEU 7 HD23 LEU 7 8.507 1.229 -9.593 56 H SER 8 HN SER 8 5.905 5.678 -8.291 57 HA SER 8 HA SER 8 5.384 7.314 -10.446 58 HB2 SER 8 HB1 SER 8 5.565 8.166 -7.503 59 HB3 SER 8 HB2 SER 8 4.559 8.920 -8.800 60 HG SER 8 HG1 SER 8 3.533 7.314 -7.320 61 H GLY 9 HN GLY 9 8.307 7.058 -8.626 62 HA2 GLY 9 HA1 GLY 9 9.433 9.452 -9.937 63 HA3 GLY 9 HA2 GLY 9 10.251 8.334 -8.786 64 H LEU 10 HN LEU 10 10.423 6.000 -9.638 65 HA LEU 10 HA LEU 10 12.264 6.213 -11.688 66 HB2 LEU 10 HB1 LEU 10 12.281 4.653 -9.767 67 HB3 LEU 10 HB2 LEU 10 10.920 3.736 -10.451 68 HG LEU 10 HG LEU 10 13.261 2.751 -10.597 69 HD11 LEU 10 HD11 LEU 10 11.911 2.977 -13.346 70 HD12 LEU 10 HD12 LEU 10 11.371 1.897 -11.989 71 HD13 LEU 10 HD13 LEU 10 13.005 1.680 -12.746 72 HD21 LEU 10 HD21 LEU 10 13.733 4.764 -12.881 73 HD22 LEU 10 HD22 LEU 10 14.825 3.437 -12.358 74 HD23 LEU 10 HD23 LEU 10 14.506 4.819 -11.252 75 H LYS 11 HN LYS 11 8.898 4.857 -11.993 76 HA LYS 11 HA LYS 11 9.513 4.159 -14.773 77 HB2 LYS 11 HB1 LYS 11 7.096 3.705 -12.973 78 HB3 LYS 11 HB2 LYS 11 7.008 3.434 -14.736 79 HG2 LYS 11 HG1 LYS 11 9.050 2.026 -12.918 80 HG3 LYS 11 HG2 LYS 11 7.445 1.359 -13.378 81 HD2 LYS 11 HD1 LYS 11 8.034 1.586 -15.806 82 HD3 LYS 11 HD2 LYS 11 9.688 2.091 -15.384 83 HE2 LYS 11 HE1 LYS 11 8.402 -0.643 -14.658 84 HE3 LYS 11 HE2 LYS 11 9.489 -0.342 -16.070 85 HZ1 LYS 11 HZ1 LYS 11 10.203 0.037 -13.206 86 HZ2 LYS 11 HZ2 LYS 11 11.217 0.340 -14.530 87 HZ3 LYS 11 HZ3 LYS 11 10.696 -1.240 -14.209 88 H THR 12 HN THR 12 7.898 6.763 -12.975 89 HA THR 12 HA THR 12 6.741 8.013 -15.207 90 HB THR 12 HB THR 12 8.019 9.347 -12.780 91 HG1 THR 12 HG1 THR 12 6.114 9.126 -11.900 92 HG21 THR 12 HG21 THR 12 5.837 10.278 -14.788 93 HG22 THR 12 HG22 THR 12 7.493 10.987 -14.652 94 HG23 THR 12 HG23 THR 12 6.327 11.158 -13.298 95 H ALA 13 HN ALA 13 10.106 8.344 -13.844 96 HA ALA 13 HA ALA 13 11.000 9.994 -15.952 97 HB1 ALA 13 HB1 ALA 13 12.525 8.007 -14.158 98 HB2 ALA 13 HB2 ALA 13 13.275 9.327 -15.138 99 HB3 ALA 13 HB3 ALA 13 12.179 9.727 -13.768 100 H LEU 14 HN LEU 14 11.236 6.414 -15.557 101 HA LEU 14 HA LEU 14 12.718 6.088 -17.917 102 HB2 LEU 14 HB1 LEU 14 12.749 4.648 -15.845 103 HB3 LEU 14 HB2 LEU 14 11.129 4.032 -16.285 104 HG LEU 14 HG LEU 14 12.146 3.050 -18.402 105 HD11 LEU 14 HD11 LEU 14 14.644 2.838 -18.538 106 HD12 LEU 14 HD12 LEU 14 14.815 3.968 -17.145 107 HD13 LEU 14 HD13 LEU 14 14.108 4.541 -18.703 108 HD21 LEU 14 HD21 LEU 14 11.839 1.671 -16.362 109 HD22 LEU 14 HD22 LEU 14 13.467 2.197 -15.751 110 HD23 LEU 14 HD23 LEU 14 13.344 1.196 -17.245 111 H LYS 15 HN LYS 15 9.188 6.131 -17.533 112 HA LYS 15 HA LYS 15 9.111 5.525 -20.433 113 HB2 LYS 15 HB1 LYS 15 8.383 3.541 -19.027 114 HB3 LYS 15 HB2 LYS 15 7.029 4.542 -18.428 115 HG2 LYS 15 HG1 LYS 15 6.228 3.098 -20.213 116 HG3 LYS 15 HG2 LYS 15 6.182 4.764 -20.821 117 HD2 LYS 15 HD1 LYS 15 8.802 3.547 -21.498 118 HD3 LYS 15 HD2 LYS 15 7.503 2.400 -21.881 119 HE2 LYS 15 HE1 LYS 15 7.889 3.631 -23.906 120 HE3 LYS 15 HE2 LYS 15 6.319 4.230 -23.242 121 HZ1 LYS 15 HZ1 LYS 15 7.679 6.056 -23.964 122 HZ2 LYS 15 HZ2 LYS 15 8.988 5.552 -23.015 123 HZ3 LYS 15 HZ3 LYS 15 7.575 6.108 -22.281 124 H GLY 16 HN GLY 16 7.726 7.532 -17.817 125 HA2 GLY 16 HA1 GLY 16 5.759 8.685 -19.600 126 HA3 GLY 16 HA2 GLY 16 6.256 9.244 -17.963 127 H ALA 17 HN ALA 17 8.486 10.256 -17.883 128 HA ALA 17 HA ALA 17 8.620 12.482 -19.566 129 HB1 ALA 17 HB1 ALA 17 10.829 11.215 -17.824 130 HB2 ALA 17 HB2 ALA 17 10.806 12.915 -18.427 131 HB3 ALA 17 HB3 ALA 17 9.572 12.369 -17.235 132 H ALA 18 HN ALA 18 10.431 9.418 -19.677 133 HA ALA 18 HA ALA 18 11.918 9.769 -21.945 134 HB1 ALA 18 HB1 ALA 18 12.007 7.773 -20.463 135 HB2 ALA 18 HB2 ALA 18 10.387 7.261 -21.053 136 HB3 ALA 18 HB3 ALA 18 11.805 7.296 -22.182 137 H LYS 19 HN LYS 19 8.336 9.027 -21.927 138 HA LYS 19 HA LYS 19 8.264 8.726 -24.791 139 HB2 LYS 19 HB1 LYS 19 6.465 8.006 -22.939 140 HB3 LYS 19 HB2 LYS 19 5.856 9.646 -23.128 141 HG2 LYS 19 HG1 LYS 19 6.156 7.506 -25.342 142 HG3 LYS 19 HG2 LYS 19 4.647 7.869 -24.457 143 HD2 LYS 19 HD1 LYS 19 6.033 9.824 -26.425 144 HD3 LYS 19 HD2 LYS 19 4.776 8.645 -26.810 145 HE2 LYS 19 HE1 LYS 19 3.434 10.452 -26.650 146 HE3 LYS 19 HE2 LYS 19 3.302 9.871 -24.945 147 HZ1 LYS 19 HZ1 LYS 19 3.738 12.318 -25.189 148 HZ2 LYS 19 HZ2 LYS 19 5.231 11.968 -25.869 149 HZ3 LYS 19 HZ3 LYS 19 4.809 11.550 -24.271 150 H GLU 20 HN GLU 20 7.542 11.483 -22.521 151 HA GLU 20 HA GLU 20 6.840 13.247 -24.530 152 HB2 GLU 20 HB1 GLU 20 8.147 14.076 -21.900 153 HB3 GLU 20 HB2 GLU 20 7.025 15.011 -22.945 154 HG2 GLU 20 HG1 GLU 20 6.391 12.659 -21.075 155 HG3 GLU 20 HG2 GLU 20 5.631 14.291 -21.143 156 H LEU 21 HN LEU 21 10.111 12.773 -23.133 157 HA LEU 21 HA LEU 21 11.420 14.626 -24.777 158 HB2 LEU 21 HB1 LEU 21 12.247 13.588 -22.654 159 HB3 LEU 21 HB2 LEU 21 12.433 12.019 -23.478 160 HG LEU 21 HG LEU 21 14.520 13.386 -23.012 161 HD11 LEU 21 HD11 LEU 21 14.505 11.509 -24.684 162 HD12 LEU 21 HD12 LEU 21 15.724 12.794 -25.030 163 HD13 LEU 21 HD13 LEU 21 14.217 12.718 -25.996 164 HD21 LEU 21 HD21 LEU 21 15.177 15.243 -24.481 165 HD22 LEU 21 HD22 LEU 21 13.633 15.652 -23.641 166 HD23 LEU 21 HD23 LEU 21 13.624 15.147 -25.375 167 H ALA 22 HN ALA 22 10.745 11.121 -25.353 168 HA ALA 22 HA ALA 22 12.241 11.243 -27.835 169 HB1 ALA 22 HB1 ALA 22 12.453 9.317 -26.258 170 HB2 ALA 22 HB2 ALA 22 10.703 8.955 -26.489 171 HB3 ALA 22 HB3 ALA 22 11.849 8.793 -27.874 172 H SER 23 HN SER 23 9.279 12.432 -27.327 173 HA SER 23 HA SER 23 7.536 10.912 -28.909 174 HB2 SER 23 HB1 SER 23 7.445 13.910 -28.252 175 HB3 SER 23 HB2 SER 23 6.125 13.043 -29.115 176 HG SER 23 HG1 SER 23 7.178 12.244 -26.622 177 H THR 24 HN THR 24 9.574 13.691 -29.965 178 HA THR 24 HA THR 24 8.602 13.338 -32.683 179 HB THR 24 HB THR 24 10.804 15.284 -31.953 180 HG1 THR 24 HG1 THR 24 9.159 16.711 -31.320 181 HG21 THR 24 HG21 THR 24 9.847 15.119 -34.321 182 HG22 THR 24 HG22 THR 24 9.491 16.712 -33.568 183 HG23 THR 24 HG23 THR 24 8.208 15.446 -33.657 184 H TYR 25 HN TYR 25 10.813 11.679 -30.949 185 HA TYR 25 HA TYR 25 12.783 11.516 -33.173 186 HB2 TYR 25 HB1 TYR 25 13.137 10.769 -30.201 187 HB3 TYR 25 HB2 TYR 25 14.407 10.651 -31.485 188 HD1 TYR 25 HD1 TYR 25 14.319 13.100 -32.982 189 HD2 TYR 25 HD2 TYR 25 13.661 12.532 -28.766 190 HE1 TYR 25 HE1 TYR 25 14.965 15.436 -32.565 191 HE2 TYR 25 HE2 TYR 25 14.296 14.881 -28.356 192 HH TYR 25 HH TYR 25 15.253 17.047 -31.033 193 H LEU 26 HN LEU 26 10.778 9.560 -30.944 194 HA LEU 26 HA LEU 26 11.365 7.178 -32.602 195 HB2 LEU 26 HB1 LEU 26 10.556 7.633 -29.695 196 HB3 LEU 26 HB2 LEU 26 10.140 6.089 -30.500 197 HG LEU 26 HG LEU 26 12.471 5.587 -30.979 198 HD11 LEU 26 HD11 LEU 26 13.574 7.761 -31.161 199 HD12 LEU 26 HD12 LEU 26 14.337 6.837 -29.828 200 HD13 LEU 26 HD13 LEU 26 13.179 8.169 -29.447 201 HD21 LEU 26 HD21 LEU 26 11.954 6.270 -28.017 202 HD22 LEU 26 HD22 LEU 26 13.151 5.072 -28.642 203 HD23 LEU 26 HD23 LEU 26 11.386 4.788 -28.885 204 H HIS 27 HN HIS 27 9.253 9.633 -32.752 205 HA HIS 27 HA HIS 27 7.410 8.108 -34.188 206 HB2 HIS 27 HB1 HIS 27 6.475 7.653 -31.853 207 HB3 HIS 27 HB2 HIS 27 6.221 9.421 -31.659 208 HD2 HIS 27 HD2 HIS 27 4.598 6.278 -33.410 209 HE1 HIS 27 HE1 HIS 27 2.377 9.740 -34.466 210 HE2 HIS 27 HE2 HIS 27 2.471 7.188 -34.576 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 1.112 -0.116 0.477 2 HA2 GLY 1 HA1 GLY 1 1.239 1.900 -1.025 3 HA3 GLY 1 HA2 GLY 1 1.814 2.199 0.667 4 H ILE 2 HN ILE 2 4.090 0.372 -0.019 5 HA ILE 2 HA ILE 2 6.007 2.340 -0.306 6 HB ILE 2 HB ILE 2 6.382 0.247 0.839 7 HG12 ILE 2 HG11 ILE 2 8.422 0.632 -1.435 8 HG13 ILE 2 HG12 ILE 2 8.280 1.681 0.014 9 HG21 ILE 2 HG21 ILE 2 5.178 -1.286 -0.793 10 HG22 ILE 2 HG22 ILE 2 6.571 -1.107 -1.936 11 HG23 ILE 2 HG23 ILE 2 6.804 -1.871 -0.331 12 HD11 ILE 2 HD1 ILE 2 10.083 0.022 0.365 13 HD12 ILE 2 HD2 ILE 2 8.727 -0.320 1.499 14 HD13 ILE 2 HD3 ILE 2 8.957 -1.338 0.032 15 H GLY 3 HN GLY 3 4.701 0.268 -2.877 16 HA2 GLY 3 HA1 GLY 3 6.468 1.012 -4.933 17 HA3 GLY 3 HA2 GLY 3 4.762 0.479 -5.130 18 H GLY 4 HN GLY 4 3.756 2.815 -3.559 19 HA2 GLY 4 HA1 GLY 4 3.466 4.600 -5.801 20 HA3 GLY 4 HA2 GLY 4 2.722 4.711 -4.169 21 H LYS 5 HN LYS 5 5.822 4.417 -3.354 22 HA LYS 5 HA LYS 5 6.499 7.238 -3.946 23 HB2 LYS 5 HB1 LYS 5 7.595 7.495 -1.805 24 HB3 LYS 5 HB2 LYS 5 5.870 7.126 -1.673 25 HG2 LYS 5 HG1 LYS 5 6.901 5.948 0.106 26 HG3 LYS 5 HG2 LYS 5 6.285 4.784 -1.083 27 HD2 LYS 5 HD1 LYS 5 8.306 3.915 -0.270 28 HD3 LYS 5 HD2 LYS 5 8.656 4.415 -1.931 29 HE2 LYS 5 HE1 LYS 5 9.458 5.915 0.685 30 HE3 LYS 5 HE2 LYS 5 10.529 4.866 -0.322 31 HZ1 LYS 5 HZ1 LYS 5 9.439 7.534 -0.926 32 HZ2 LYS 5 HZ2 LYS 5 9.856 6.506 -2.184 33 HZ3 LYS 5 HZ3 LYS 5 11.037 6.969 -1.052 34 H ILE 6 HN ILE 6 7.236 4.405 -5.180 35 HA ILE 6 HA ILE 6 9.907 5.502 -5.822 36 HB ILE 6 HB ILE 6 10.772 3.196 -6.285 37 HG12 ILE 6 HG11 ILE 6 8.457 2.306 -4.454 38 HG13 ILE 6 HG12 ILE 6 8.530 1.996 -6.220 39 HG21 ILE 6 HG21 ILE 6 11.425 4.656 -4.334 40 HG22 ILE 6 HG22 ILE 6 10.156 3.833 -3.338 41 HG23 ILE 6 HG23 ILE 6 11.551 2.897 -3.986 42 HD11 ILE 6 HD1 ILE 6 10.679 0.695 -5.889 43 HD12 ILE 6 HD2 ILE 6 10.510 0.917 -4.109 44 HD13 ILE 6 HD3 ILE 6 9.272 -0.014 -5.017 45 H LEU 7 HN LEU 7 7.071 3.567 -7.057 46 HA LEU 7 HA LEU 7 8.172 3.561 -9.693 47 HB2 LEU 7 HB1 LEU 7 5.320 3.029 -8.704 48 HB3 LEU 7 HB2 LEU 7 5.919 2.688 -10.357 49 HG LEU 7 HG LEU 7 6.950 1.376 -7.771 50 HD11 LEU 7 HD11 LEU 7 5.141 0.264 -10.005 51 HD12 LEU 7 HD12 LEU 7 4.622 0.708 -8.338 52 HD13 LEU 7 HD13 LEU 7 5.773 -0.657 -8.589 53 HD21 LEU 7 HD21 LEU 7 7.620 0.767 -10.724 54 HD22 LEU 7 HD22 LEU 7 8.111 -0.231 -9.306 55 HD23 LEU 7 HD23 LEU 7 8.758 1.435 -9.486 56 H SER 8 HN SER 8 6.170 5.754 -7.854 57 HA SER 8 HA SER 8 5.216 7.353 -9.912 58 HB2 SER 8 HB1 SER 8 5.931 8.209 -7.049 59 HB3 SER 8 HB2 SER 8 4.716 8.974 -8.144 60 HG SER 8 HG1 SER 8 4.005 7.333 -6.485 61 H GLY 9 HN GLY 9 8.460 7.020 -8.799 62 HA2 GLY 9 HA1 GLY 9 9.186 9.434 -10.395 63 HA3 GLY 9 HA2 GLY 9 10.258 8.558 -9.252 64 H LEU 10 HN LEU 10 9.988 5.931 -9.929 65 HA LEU 10 HA LEU 10 11.711 5.821 -12.098 66 HB2 LEU 10 HB1 LEU 10 11.593 4.328 -10.115 67 HB3 LEU 10 HB2 LEU 10 10.119 3.556 -10.750 68 HG LEU 10 HG LEU 10 12.723 3.586 -12.375 69 HD11 LEU 10 HD11 LEU 10 12.016 1.596 -10.125 70 HD12 LEU 10 HD12 LEU 10 13.341 2.820 -10.092 71 HD13 LEU 10 HD13 LEU 10 13.406 1.460 -11.267 72 HD21 LEU 10 HD21 LEU 10 10.402 1.550 -12.173 73 HD22 LEU 10 HD22 LEU 10 11.897 1.340 -13.163 74 HD23 LEU 10 HD23 LEU 10 10.739 2.652 -13.572 75 H LYS 11 HN LYS 11 8.190 4.896 -12.093 76 HA LYS 11 HA LYS 11 8.461 4.154 -14.914 77 HB2 LYS 11 HB1 LYS 11 6.135 3.995 -12.936 78 HB3 LYS 11 HB2 LYS 11 5.981 3.575 -14.667 79 HG2 LYS 11 HG1 LYS 11 7.916 2.182 -12.711 80 HG3 LYS 11 HG2 LYS 11 6.282 1.594 -13.154 81 HD2 LYS 11 HD1 LYS 11 6.972 1.527 -15.577 82 HD3 LYS 11 HD2 LYS 11 8.639 2.001 -15.102 83 HE2 LYS 11 HE1 LYS 11 8.882 -0.104 -13.755 84 HE3 LYS 11 HE2 LYS 11 7.192 -0.584 -14.190 85 HZ1 LYS 11 HZ1 LYS 11 8.841 -1.643 -15.604 86 HZ2 LYS 11 HZ2 LYS 11 9.424 -0.140 -16.122 87 HZ3 LYS 11 HZ3 LYS 11 7.847 -0.615 -16.508 88 H THR 12 HN THR 12 7.305 6.854 -12.940 89 HA THR 12 HA THR 12 6.023 8.273 -14.987 90 HB THR 12 HB THR 12 7.683 9.416 -12.695 91 HG1 THR 12 HG1 THR 12 5.869 9.276 -11.573 92 HG21 THR 12 HG21 THR 12 6.983 11.144 -14.428 93 HG22 THR 12 HG22 THR 12 6.036 11.328 -12.913 94 HG23 THR 12 HG23 THR 12 5.291 10.525 -14.340 95 H ALA 13 HN ALA 13 9.547 8.222 -14.045 96 HA ALA 13 HA ALA 13 10.346 9.889 -16.166 97 HB1 ALA 13 HB1 ALA 13 11.847 7.637 -14.693 98 HB2 ALA 13 HB2 ALA 13 12.614 8.924 -15.702 99 HB3 ALA 13 HB3 ALA 13 11.761 9.357 -14.177 100 H LEU 14 HN LEU 14 10.149 6.289 -15.982 101 HA LEU 14 HA LEU 14 11.177 5.855 -18.534 102 HB2 LEU 14 HB1 LEU 14 11.024 4.208 -16.613 103 HB3 LEU 14 HB2 LEU 14 9.266 4.073 -16.932 104 HG LEU 14 HG LEU 14 9.838 3.225 -19.280 105 HD11 LEU 14 HD11 LEU 14 12.159 2.356 -19.677 106 HD12 LEU 14 HD12 LEU 14 12.716 3.151 -18.157 107 HD13 LEU 14 HD13 LEU 14 12.127 4.143 -19.544 108 HD21 LEU 14 HD21 LEU 14 9.234 1.684 -17.453 109 HD22 LEU 14 HD22 LEU 14 10.972 1.627 -16.905 110 HD23 LEU 14 HD23 LEU 14 10.505 0.952 -18.517 111 H LYS 15 HN LYS 15 7.639 6.009 -17.625 112 HA LYS 15 HA LYS 15 6.977 5.737 -20.465 113 HB2 LYS 15 HB1 LYS 15 5.325 4.714 -19.072 114 HB3 LYS 15 HB2 LYS 15 5.338 6.085 -17.924 115 HG2 LYS 15 HG1 LYS 15 3.229 6.049 -19.194 116 HG3 LYS 15 HG2 LYS 15 4.142 7.541 -19.471 117 HD2 LYS 15 HD1 LYS 15 5.016 6.065 -21.659 118 HD3 LYS 15 HD2 LYS 15 3.438 5.289 -21.378 119 HE2 LYS 15 HE1 LYS 15 3.185 7.073 -23.046 120 HE3 LYS 15 HE2 LYS 15 2.337 7.624 -21.546 121 HZ1 LYS 15 HZ1 LYS 15 5.154 8.386 -21.724 122 HZ2 LYS 15 HZ2 LYS 15 3.847 9.346 -21.347 123 HZ3 LYS 15 HZ3 LYS 15 4.196 9.116 -22.865 124 H GLY 16 HN GLY 16 6.913 8.352 -17.947 125 HA2 GLY 16 HA1 GLY 16 5.511 10.077 -19.772 126 HA3 GLY 16 HA2 GLY 16 6.117 10.446 -18.120 127 H ALA 17 HN ALA 17 8.510 10.738 -17.944 128 HA ALA 17 HA ALA 17 9.161 12.908 -19.566 129 HB1 ALA 17 HB1 ALA 17 10.042 12.532 -17.240 130 HB2 ALA 17 HB2 ALA 17 11.057 11.176 -17.867 131 HB3 ALA 17 HB3 ALA 17 11.367 12.867 -18.413 132 H ALA 18 HN ALA 18 10.438 9.524 -19.836 133 HA ALA 18 HA ALA 18 12.174 10.134 -21.949 134 HB1 ALA 18 HB1 ALA 18 12.284 7.668 -22.261 135 HB2 ALA 18 HB2 ALA 18 12.322 8.094 -20.510 136 HB3 ALA 18 HB3 ALA 18 10.802 7.477 -21.248 137 H LYS 19 HN LYS 19 8.740 8.838 -22.220 138 HA LYS 19 HA LYS 19 9.059 8.843 -25.079 139 HB2 LYS 19 HB1 LYS 19 7.625 7.125 -24.181 140 HB3 LYS 19 HB2 LYS 19 6.586 8.366 -23.398 141 HG2 LYS 19 HG1 LYS 19 5.489 7.430 -25.431 142 HG3 LYS 19 HG2 LYS 19 5.758 9.189 -25.485 143 HD2 LYS 19 HD1 LYS 19 7.964 8.557 -26.852 144 HD3 LYS 19 HD2 LYS 19 7.124 7.007 -27.155 145 HE2 LYS 19 HE1 LYS 19 5.282 8.200 -28.314 146 HE3 LYS 19 HE2 LYS 19 5.848 9.789 -27.661 147 HZ1 LYS 19 HZ1 LYS 19 7.338 8.098 -29.617 148 HZ2 LYS 19 HZ2 LYS 19 7.881 9.536 -28.965 149 HZ3 LYS 19 HZ3 LYS 19 6.526 9.515 -29.957 150 H GLU 20 HN GLU 20 7.416 11.140 -22.785 151 HA GLU 20 HA GLU 20 6.377 12.666 -24.894 152 HB2 GLU 20 HB1 GLU 20 6.789 13.206 -21.944 153 HB3 GLU 20 HB2 GLU 20 6.269 14.503 -23.062 154 HG2 GLU 20 HG1 GLU 20 4.296 13.555 -22.007 155 HG3 GLU 20 HG2 GLU 20 4.266 13.239 -23.775 156 H LEU 21 HN LEU 21 9.598 12.905 -23.251 157 HA LEU 21 HA LEU 21 10.456 15.110 -24.818 158 HB2 LEU 21 HB1 LEU 21 11.623 14.305 -22.755 159 HB3 LEU 21 HB2 LEU 21 12.041 12.786 -23.590 160 HG LEU 21 HG LEU 21 13.452 14.083 -25.225 161 HD11 LEU 21 HD11 LEU 21 14.053 16.475 -24.688 162 HD12 LEU 21 HD12 LEU 21 12.759 16.505 -23.433 163 HD13 LEU 21 HD13 LEU 21 12.331 16.301 -25.177 164 HD21 LEU 21 HD21 LEU 21 14.119 14.586 -22.258 165 HD22 LEU 21 HD22 LEU 21 15.291 14.594 -23.631 166 HD23 LEU 21 HD23 LEU 21 14.442 13.068 -23.176 167 H ALA 22 HN ALA 22 10.656 11.548 -25.393 168 HA ALA 22 HA ALA 22 11.751 11.972 -28.033 169 HB1 ALA 22 HB1 ALA 22 10.833 9.412 -26.613 170 HB2 ALA 22 HB2 ALA 22 11.794 9.498 -28.141 171 HB3 ALA 22 HB3 ALA 22 12.503 10.075 -26.587 172 H SER 23 HN SER 23 9.124 13.196 -27.666 173 HA SER 23 HA SER 23 6.999 11.637 -28.501 174 HB2 SER 23 HB1 SER 23 7.480 14.637 -28.867 175 HB3 SER 23 HB2 SER 23 5.983 13.832 -29.456 176 HG SER 23 HG1 SER 23 6.881 14.081 -26.800 177 H THR 24 HN THR 24 8.919 13.812 -30.679 178 HA THR 24 HA THR 24 7.930 12.591 -33.032 179 HB THR 24 HB THR 24 10.541 14.167 -32.783 180 HG1 THR 24 HG1 THR 24 9.169 15.950 -33.169 181 HG21 THR 24 HG21 THR 24 9.857 14.924 -35.089 182 HG22 THR 24 HG22 THR 24 8.356 13.934 -34.979 183 HG23 THR 24 HG23 THR 24 9.966 13.130 -35.046 184 H TYR 25 HN TYR 25 10.973 12.258 -31.190 185 HA TYR 25 HA TYR 25 12.363 11.003 -33.223 186 HB2 TYR 25 HB1 TYR 25 13.025 10.932 -30.217 187 HB3 TYR 25 HB2 TYR 25 14.191 10.771 -31.589 188 HD1 TYR 25 HD1 TYR 25 13.769 12.819 -33.443 189 HD2 TYR 25 HD2 TYR 25 13.118 13.029 -29.192 190 HE1 TYR 25 HE1 TYR 25 13.885 15.291 -33.534 191 HE2 TYR 25 HE2 TYR 25 13.214 15.483 -29.297 192 HH TYR 25 HH TYR 25 13.519 17.294 -30.609 193 H LEU 26 HN LEU 26 10.749 9.401 -30.455 194 HA LEU 26 HA LEU 26 11.259 6.814 -31.831 195 HB2 LEU 26 HB1 LEU 26 10.846 7.486 -28.866 196 HB3 LEU 26 HB2 LEU 26 10.477 5.859 -29.515 197 HG LEU 26 HG LEU 26 12.619 5.855 -28.429 198 HD11 LEU 26 HD11 LEU 26 13.948 4.737 -30.167 199 HD12 LEU 26 HD12 LEU 26 12.994 5.525 -31.469 200 HD13 LEU 26 HD13 LEU 26 12.205 4.325 -30.375 201 HD21 LEU 26 HD21 LEU 26 14.627 6.994 -29.257 202 HD22 LEU 26 HD22 LEU 26 13.382 8.218 -28.810 203 HD23 LEU 26 HD23 LEU 26 13.689 7.814 -30.547 204 H HIS 27 HN HIS 27 9.614 7.595 -33.293 205 HA HIS 27 HA HIS 27 7.515 8.997 -32.978 206 HB2 HIS 27 HB1 HIS 27 7.463 6.553 -34.833 207 HB3 HIS 27 HB2 HIS 27 6.696 8.162 -35.112 208 HD2 HIS 27 HD2 HIS 27 8.440 10.037 -36.330 209 HE1 HIS 27 HE1 HIS 27 11.909 7.610 -36.017 210 HE2 HIS 27 HE2 HIS 27 10.941 9.786 -36.941
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