NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636863 | 6dst | 30481 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.573 -4.078 -0.816 2 HA2 GLY 1 HA2 GLY 1 2.197 -3.493 -1.047 3 HA3 GLY 1 HA3 GLY 1 1.089 -3.792 -2.378 4 H ILE 2 H ILE 2 3.196 -1.616 -1.294 5 HA ILE 2 HA ILE 2 1.822 0.844 -1.418 6 HB ILE 2 HB ILE 2 4.726 0.296 -2.045 7 HG12 ILE 2 HG12 ILE 2 4.085 -0.482 0.195 8 HG13 ILE 2 HG13 ILE 2 5.138 0.926 0.291 9 HG21 ILE 2 HG21 ILE 2 4.928 2.721 -1.265 10 HG22 ILE 2 HG22 ILE 2 4.263 2.436 -2.872 11 HG23 ILE 2 HG23 ILE 2 3.188 2.820 -1.529 12 HD11 ILE 2 HD11 ILE 2 2.144 0.963 0.584 13 HD12 ILE 2 HD12 ILE 2 3.312 1.031 1.904 14 HD13 ILE 2 HD13 ILE 2 3.225 2.348 0.734 15 H GLY 3 H GLY 3 3.561 -1.030 -3.880 16 HA2 GLY 3 HA2 GLY 3 3.067 0.908 -5.948 17 HA3 GLY 3 HA3 GLY 3 3.755 -0.695 -6.161 18 H ALA 4 H ALA 4 1.258 -1.636 -4.569 19 HA ALA 4 HA ALA 4 -0.282 -2.282 -6.904 20 HB1 ALA 4 HB1 ALA 4 -0.080 -3.217 -4.177 21 HB2 ALA 4 HB2 ALA 4 -1.762 -3.064 -4.686 22 HB3 ALA 4 HB3 ALA 4 -0.645 -4.061 -5.619 23 H VAL 5 H VAL 5 -0.365 0.185 -4.523 24 HA VAL 5 HA VAL 5 -3.043 0.831 -4.325 25 HB VAL 5 HB VAL 5 -1.196 1.951 -3.079 26 HG11 VAL 5 HG11 VAL 5 0.170 3.579 -4.023 27 HG12 VAL 5 HG12 VAL 5 0.122 2.326 -5.265 28 HG13 VAL 5 HG13 VAL 5 -0.870 3.775 -5.433 29 HG21 VAL 5 HG21 VAL 5 -2.794 4.093 -4.411 30 HG22 VAL 5 HG22 VAL 5 -3.618 2.845 -3.477 31 HG23 VAL 5 HG23 VAL 5 -2.413 3.873 -2.703 32 H LEU 6 H LEU 6 -0.752 1.648 -6.887 33 HA LEU 6 HA LEU 6 -2.634 3.263 -8.332 34 HB2 LEU 6 HB2 LEU 6 -0.902 3.147 -10.139 35 HB3 LEU 6 HB3 LEU 6 -0.353 3.812 -8.601 36 HG LEU 6 HG LEU 6 0.152 0.968 -8.753 37 HD11 LEU 6 HD11 LEU 6 2.083 1.448 -10.459 38 HD12 LEU 6 HD12 LEU 6 0.965 2.673 -11.056 39 HD13 LEU 6 HD13 LEU 6 0.478 0.979 -11.021 40 HD21 LEU 6 HD21 LEU 6 2.551 2.043 -8.509 41 HD22 LEU 6 HD22 LEU 6 1.403 2.037 -7.169 42 HD23 LEU 6 HD23 LEU 6 1.608 3.490 -8.149 43 H LYS 7 H LYS 7 -1.625 -0.080 -8.354 44 HA LYS 7 HA LYS 7 -2.765 -0.770 -10.865 45 HB2 LYS 7 HB2 LYS 7 -1.787 -2.306 -8.487 46 HB3 LYS 7 HB3 LYS 7 -2.708 -3.138 -9.733 47 HG2 LYS 7 HG2 LYS 7 -0.665 -3.480 -10.607 48 HG3 LYS 7 HG3 LYS 7 -0.922 -1.867 -11.276 49 HD2 LYS 7 HD2 LYS 7 0.274 -0.893 -9.370 50 HD3 LYS 7 HD3 LYS 7 0.537 -2.509 -8.712 51 HE2 LYS 7 HE2 LYS 7 1.625 -2.991 -11.017 52 HE3 LYS 7 HE3 LYS 7 1.725 -1.236 -11.147 53 HZ1 LYS 7 HZ1 LYS 7 2.985 -2.980 -9.112 54 HZ2 LYS 7 HZ2 LYS 7 2.870 -1.303 -8.926 55 HZ3 LYS 7 HZ3 LYS 7 3.748 -1.952 -10.218 56 H VAL 8 H VAL 8 -3.885 -1.247 -7.516 57 HA VAL 8 HA VAL 8 -6.298 -2.479 -8.004 58 HB VAL 8 HB VAL 8 -7.108 -1.473 -5.891 59 HG11 VAL 8 HG11 VAL 8 -5.248 -2.353 -4.453 60 HG12 VAL 8 HG12 VAL 8 -5.809 -3.459 -5.709 61 HG13 VAL 8 HG13 VAL 8 -4.303 -2.566 -5.926 62 HG21 VAL 8 HG21 VAL 8 -6.002 0.746 -6.289 63 HG22 VAL 8 HG22 VAL 8 -5.812 0.100 -4.660 64 HG23 VAL 8 HG23 VAL 8 -4.480 -0.004 -5.811 65 H LEU 9 H LEU 9 -5.405 0.831 -8.546 66 HA LEU 9 HA LEU 9 -7.853 2.116 -8.562 67 HB2 LEU 9 HB2 LEU 9 -5.633 2.576 -10.545 68 HB3 LEU 9 HB3 LEU 9 -6.871 3.729 -10.051 69 HG LEU 9 HG LEU 9 -4.533 2.725 -8.440 70 HD11 LEU 9 HD11 LEU 9 -4.357 5.337 -8.260 71 HD12 LEU 9 HD12 LEU 9 -5.300 5.286 -9.749 72 HD13 LEU 9 HD13 LEU 9 -3.733 4.481 -9.670 73 HD21 LEU 9 HD21 LEU 9 -6.356 2.760 -6.914 74 HD22 LEU 9 HD22 LEU 9 -6.949 4.291 -7.557 75 HD23 LEU 9 HD23 LEU 9 -5.435 4.241 -6.654 76 H THR 10 H THR 10 -6.418 0.024 -10.992 77 HA THR 10 HA THR 10 -8.631 0.482 -12.832 78 HB THR 10 HB THR 10 -6.260 -1.372 -13.135 79 HG1 THR 10 HG1 THR 10 -6.681 1.230 -14.225 80 HG21 THR 10 HG21 THR 10 -7.056 -0.741 -15.641 81 HG22 THR 10 HG22 THR 10 -8.608 -0.740 -14.804 82 HG23 THR 10 HG23 THR 10 -7.591 -2.180 -14.775 83 H THR 11 H THR 11 -7.394 -1.982 -10.664 84 HA THR 11 HA THR 11 -9.067 -4.095 -11.544 85 HB THR 11 HB THR 11 -7.873 -3.751 -8.788 86 HG1 THR 11 HG1 THR 11 -6.771 -4.853 -11.174 87 HG21 THR 11 HG21 THR 11 -8.944 -6.106 -10.325 88 HG22 THR 11 HG22 THR 11 -9.414 -5.534 -8.724 89 HG23 THR 11 HG23 THR 11 -7.842 -6.297 -8.962 90 H GLY 12 H GLY 12 -9.606 -1.332 -9.557 91 HA2 GLY 12 HA2 GLY 12 -11.827 -2.368 -8.081 92 HA3 GLY 12 HA3 GLY 12 -11.379 -0.675 -8.237 93 H LEU 13 H LEU 13 -11.450 -1.112 -11.264 94 HA LEU 13 HA LEU 13 -14.045 -0.097 -11.683 95 HB2 LEU 13 HB2 LEU 13 -12.660 0.566 -13.356 96 HB3 LEU 13 HB3 LEU 13 -11.783 -0.962 -13.382 97 HG LEU 13 HG LEU 13 -13.666 -1.987 -14.607 98 HD11 LEU 13 HD11 LEU 13 -15.574 -0.805 -14.049 99 HD12 LEU 13 HD12 LEU 13 -15.237 -0.233 -15.682 100 HD13 LEU 13 HD13 LEU 13 -14.801 0.762 -14.293 101 HD21 LEU 13 HD21 LEU 13 -13.370 -0.422 -16.691 102 HD22 LEU 13 HD22 LEU 13 -12.014 -1.366 -16.072 103 HD23 LEU 13 HD23 LEU 13 -12.151 0.347 -15.674 104 HA PRO 14 HA PRO 14 -15.122 -4.440 -13.509 105 HB2 PRO 14 HB2 PRO 14 -13.355 -6.451 -13.056 106 HB3 PRO 14 HB3 PRO 14 -13.272 -5.400 -14.475 107 HG2 PRO 14 HG2 PRO 14 -11.710 -5.268 -11.924 108 HG3 PRO 14 HG3 PRO 14 -11.147 -5.062 -13.593 109 HD2 PRO 14 HD2 PRO 14 -11.631 -2.965 -11.949 110 HD3 PRO 14 HD3 PRO 14 -11.882 -2.880 -13.704 111 H ALA 15 H ALA 15 -13.453 -4.188 -10.445 112 HA ALA 15 HA ALA 15 -14.953 -6.333 -9.217 113 HB1 ALA 15 HB1 ALA 15 -13.422 -4.360 -7.600 114 HB2 ALA 15 HB2 ALA 15 -13.570 -6.108 -7.410 115 HB3 ALA 15 HB3 ALA 15 -12.534 -5.443 -8.673 116 H LEU 16 H LEU 16 -15.191 -2.884 -9.549 117 HA LEU 16 HA LEU 16 -16.863 -2.297 -7.378 118 HB2 LEU 16 HB2 LEU 16 -15.840 -0.513 -8.560 119 HB3 LEU 16 HB3 LEU 16 -16.555 -1.027 -10.086 120 HG LEU 16 HG LEU 16 -18.604 -0.405 -8.151 121 HD11 LEU 16 HD11 LEU 16 -16.940 1.967 -8.903 122 HD12 LEU 16 HD12 LEU 16 -16.632 1.080 -7.410 123 HD13 LEU 16 HD13 LEU 16 -18.204 1.832 -7.680 124 HD21 LEU 16 HD21 LEU 16 -19.055 1.314 -10.065 125 HD22 LEU 16 HD22 LEU 16 -19.292 -0.411 -10.346 126 HD23 LEU 16 HD23 LEU 16 -17.826 0.383 -10.922 127 H ILE 17 H ILE 17 -17.805 -2.766 -10.790 128 HA ILE 17 HA ILE 17 -20.577 -2.957 -10.185 129 HB ILE 17 HB ILE 17 -20.937 -3.412 -12.468 130 HG12 ILE 17 HG12 ILE 17 -19.261 -5.309 -12.533 131 HG13 ILE 17 HG13 ILE 17 -19.333 -4.316 -13.984 132 HG21 ILE 17 HG21 ILE 17 -18.449 -1.724 -12.239 133 HG22 ILE 17 HG22 ILE 17 -19.529 -1.760 -13.632 134 HG23 ILE 17 HG23 ILE 17 -20.115 -1.169 -12.077 135 HD11 ILE 17 HD11 ILE 17 -17.047 -4.795 -13.465 136 HD12 ILE 17 HD12 ILE 17 -17.349 -3.082 -13.174 137 HD13 ILE 17 HD13 ILE 17 -17.252 -4.203 -11.817 138 H SER 18 H SER 18 -17.973 -5.263 -10.430 139 HA SER 18 HA SER 18 -19.416 -7.623 -10.787 140 HB2 SER 18 HB2 SER 18 -17.062 -7.765 -10.985 141 HB3 SER 18 HB3 SER 18 -16.803 -7.041 -9.398 142 HG SER 18 HG SER 18 -17.502 -9.654 -10.078 143 H TRP 19 H TRP 19 -18.943 -5.645 -7.956 144 HA TRP 19 HA TRP 19 -19.694 -7.516 -5.991 145 HB2 TRP 19 HB2 TRP 19 -18.586 -5.374 -5.473 146 HB3 TRP 19 HB3 TRP 19 -20.040 -4.509 -5.965 147 HD1 TRP 19 HD1 TRP 19 -22.259 -4.907 -4.375 148 HE1 TRP 19 HE1 TRP 19 -22.398 -5.344 -1.843 149 HE3 TRP 19 HE3 TRP 19 -17.448 -6.426 -3.548 150 HZ2 TRP 19 HZ2 TRP 19 -20.694 -6.216 0.232 151 HZ3 TRP 19 HZ3 TRP 19 -16.783 -7.043 -1.260 152 HH2 TRP 19 HH2 TRP 19 -18.374 -6.939 0.589 153 H ILE 20 H ILE 20 -21.609 -5.042 -7.691 154 HA ILE 20 HA ILE 20 -24.072 -5.862 -6.496 155 HB ILE 20 HB ILE 20 -23.824 -3.578 -7.259 156 HG12 ILE 20 HG12 ILE 20 -25.801 -4.715 -9.197 157 HG13 ILE 20 HG13 ILE 20 -26.049 -4.971 -7.473 158 HG21 ILE 20 HG21 ILE 20 -22.290 -3.879 -9.084 159 HG22 ILE 20 HG22 ILE 20 -23.493 -4.786 -9.999 160 HG23 ILE 20 HG23 ILE 20 -23.735 -3.068 -9.686 161 HD11 ILE 20 HD11 ILE 20 -25.802 -2.443 -7.246 162 HD12 ILE 20 HD12 ILE 20 -26.014 -2.397 -8.997 163 HD13 ILE 20 HD13 ILE 20 -27.284 -3.064 -7.973 164 H LYS 21 H LYS 21 -22.341 -6.662 -9.426 165 HA LYS 21 HA LYS 21 -24.428 -7.863 -10.867 166 HB2 LYS 21 HB2 LYS 21 -21.443 -8.219 -10.872 167 HB3 LYS 21 HB3 LYS 21 -22.471 -9.217 -11.892 168 HG2 LYS 21 HG2 LYS 21 -22.289 -6.212 -11.953 169 HG3 LYS 21 HG3 LYS 21 -21.600 -7.329 -13.133 170 HD2 LYS 21 HD2 LYS 21 -24.200 -8.124 -13.101 171 HD3 LYS 21 HD3 LYS 21 -24.366 -6.392 -12.803 172 HE2 LYS 21 HE2 LYS 21 -24.421 -6.525 -15.118 173 HE3 LYS 21 HE3 LYS 21 -22.735 -6.131 -14.790 174 HZ1 LYS 21 HZ1 LYS 21 -23.188 -7.973 -16.445 175 HZ2 LYS 21 HZ2 LYS 21 -23.648 -8.924 -15.124 176 HZ3 LYS 21 HZ3 LYS 21 -22.072 -8.316 -15.221 177 H ARG 22 H ARG 22 -21.961 -9.373 -8.779 178 HA ARG 22 HA ARG 22 -22.890 -11.986 -8.923 179 HB2 ARG 22 HB2 ARG 22 -21.678 -12.379 -6.841 180 HB3 ARG 22 HB3 ARG 22 -20.735 -11.366 -7.926 181 HG2 ARG 22 HG2 ARG 22 -21.062 -9.459 -6.633 182 HG3 ARG 22 HG3 ARG 22 -22.445 -10.158 -5.788 183 HD2 ARG 22 HD2 ARG 22 -20.860 -10.400 -4.168 184 HD3 ARG 22 HD3 ARG 22 -20.625 -11.921 -5.028 185 HE ARG 22 HE ARG 22 -18.938 -10.098 -6.226 186 HH11 ARG 22 HH11 ARG 22 -19.376 -11.453 -3.049 187 HH12 ARG 22 HH12 ARG 22 -17.704 -11.317 -2.618 188 HH21 ARG 22 HH21 ARG 22 -16.734 -9.913 -5.670 189 HH22 ARG 22 HH22 ARG 22 -16.202 -10.440 -4.109 190 H LYS 23 H LYS 23 -24.124 -9.270 -7.152 191 HA LYS 23 HA LYS 23 -25.607 -10.564 -5.172 192 HB2 LYS 23 HB2 LYS 23 -25.169 -8.040 -5.550 193 HB3 LYS 23 HB3 LYS 23 -26.598 -8.097 -6.575 194 HG2 LYS 23 HG2 LYS 23 -27.603 -7.523 -4.635 195 HG3 LYS 23 HG3 LYS 23 -27.611 -9.274 -4.414 196 HD2 LYS 23 HD2 LYS 23 -26.781 -8.467 -2.389 197 HD3 LYS 23 HD3 LYS 23 -25.328 -8.931 -3.277 198 HE2 LYS 23 HE2 LYS 23 -24.917 -6.803 -2.283 199 HE3 LYS 23 HE3 LYS 23 -25.123 -6.550 -4.016 200 HZ1 LYS 23 HZ1 LYS 23 -27.618 -6.341 -2.715 201 HZ2 LYS 23 HZ2 LYS 23 -26.791 -5.172 -3.615 202 HZ3 LYS 23 HZ3 LYS 23 -26.506 -5.318 -1.954 203 H ARG 24 H ARG 24 -26.752 -9.391 -8.343 204 HA ARG 24 HA ARG 24 -29.131 -11.056 -8.091 205 HB2 ARG 24 HB2 ARG 24 -28.492 -9.321 -10.457 206 HB3 ARG 24 HB3 ARG 24 -30.065 -9.801 -9.834 207 HG2 ARG 24 HG2 ARG 24 -28.921 -8.389 -7.747 208 HG3 ARG 24 HG3 ARG 24 -28.443 -7.496 -9.193 209 HD2 ARG 24 HD2 ARG 24 -31.259 -8.307 -8.479 210 HD3 ARG 24 HD3 ARG 24 -30.574 -6.696 -8.269 211 HE ARG 24 HE ARG 24 -30.235 -7.372 -10.935 212 HH11 ARG 24 HH11 ARG 24 -32.869 -6.862 -8.717 213 HH12 ARG 24 HH12 ARG 24 -33.966 -6.313 -9.941 214 HH21 ARG 24 HH21 ARG 24 -31.670 -6.652 -12.556 215 HH22 ARG 24 HH22 ARG 24 -33.283 -6.195 -12.124 216 H GLN 25 H GLN 25 -26.904 -10.399 -10.799 217 HA GLN 25 HA GLN 25 -27.396 -13.048 -11.862 218 HB2 GLN 25 HB2 GLN 25 -26.551 -10.526 -12.912 219 HB3 GLN 25 HB3 GLN 25 -25.337 -11.735 -13.310 220 HG2 GLN 25 HG2 GLN 25 -26.940 -11.583 -15.090 221 HG3 GLN 25 HG3 GLN 25 -27.095 -13.146 -14.290 222 HE21 GLN 25 HE21 GLN 25 -28.476 -9.907 -14.446 223 HE22 GLN 25 HE22 GLN 25 -30.082 -10.375 -14.017 224 H GLN 26 H GLN 26 -25.170 -13.948 -12.938 225 HA GLN 26 HA GLN 26 -23.749 -15.085 -10.806 226 HB2 GLN 26 HB2 GLN 26 -24.020 -15.927 -13.224 227 HB3 GLN 26 HB3 GLN 26 -22.658 -14.881 -13.602 228 HG2 GLN 26 HG2 GLN 26 -21.211 -16.098 -12.176 229 HG3 GLN 26 HG3 GLN 26 -22.556 -16.996 -11.473 230 HE21 GLN 26 HE21 GLN 26 -23.605 -18.580 -12.748 231 HE22 GLN 26 HE22 GLN 26 -22.797 -19.322 -14.082 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.126 0.079 -1.027 3 HA3 GLY 1 HA3 GLY 1 1.890 -0.931 -1.761 4 H ILE 2 H ILE 2 3.456 2.015 -1.903 5 HA ILE 2 HA ILE 2 1.459 3.761 -2.806 6 HB ILE 2 HB ILE 2 4.372 3.715 -3.606 7 HG12 ILE 2 HG12 ILE 2 4.072 3.821 -1.174 8 HG13 ILE 2 HG13 ILE 2 4.676 5.352 -1.799 9 HG21 ILE 2 HG21 ILE 2 3.923 6.210 -3.890 10 HG22 ILE 2 HG22 ILE 2 3.283 5.128 -5.127 11 HG23 ILE 2 HG23 ILE 2 2.212 5.781 -3.887 12 HD11 ILE 2 HD11 ILE 2 2.449 6.304 -1.658 13 HD12 ILE 2 HD12 ILE 2 1.815 4.763 -1.079 14 HD13 ILE 2 HD13 ILE 2 2.964 5.670 -0.095 15 H GLY 3 H GLY 3 3.430 1.385 -4.520 16 HA2 GLY 3 HA2 GLY 3 2.452 2.152 -7.116 17 HA3 GLY 3 HA3 GLY 3 3.430 0.741 -6.743 18 H ALA 4 H ALA 4 1.243 0.215 -4.586 19 HA ALA 4 HA ALA 4 -0.238 -1.633 -6.195 20 HB1 ALA 4 HB1 ALA 4 0.185 -1.137 -3.366 21 HB2 ALA 4 HB2 ALA 4 -1.488 -1.562 -3.733 22 HB3 ALA 4 HB3 ALA 4 -0.179 -2.643 -4.209 23 H VAL 5 H VAL 5 -0.699 1.610 -5.185 24 HA VAL 5 HA VAL 5 -3.438 1.873 -4.982 25 HB VAL 5 HB VAL 5 -1.847 3.718 -4.594 26 HG11 VAL 5 HG11 VAL 5 -0.582 3.154 -6.778 27 HG12 VAL 5 HG12 VAL 5 -1.768 4.213 -7.545 28 HG13 VAL 5 HG13 VAL 5 -0.713 4.840 -6.278 29 HG21 VAL 5 HG21 VAL 5 -4.412 3.868 -5.567 30 HG22 VAL 5 HG22 VAL 5 -3.501 5.201 -4.858 31 HG23 VAL 5 HG23 VAL 5 -3.530 4.986 -6.608 32 H LEU 6 H LEU 6 -1.446 1.815 -7.912 33 HA LEU 6 HA LEU 6 -3.665 2.223 -9.676 34 HB2 LEU 6 HB2 LEU 6 -2.006 1.552 -11.437 35 HB3 LEU 6 HB3 LEU 6 -1.558 2.943 -10.453 36 HG LEU 6 HG LEU 6 -0.494 0.460 -9.385 37 HD11 LEU 6 HD11 LEU 6 1.274 0.696 -11.430 38 HD12 LEU 6 HD12 LEU 6 -0.256 0.960 -12.265 39 HD13 LEU 6 HD13 LEU 6 -0.001 -0.520 -11.341 40 HD21 LEU 6 HD21 LEU 6 1.638 1.893 -9.756 41 HD22 LEU 6 HD22 LEU 6 0.452 2.398 -8.552 42 HD23 LEU 6 HD23 LEU 6 0.494 3.182 -10.132 43 H LYS 7 H LYS 7 -1.861 -0.565 -8.499 44 HA LYS 7 HA LYS 7 -2.941 -2.504 -10.213 45 HB2 LYS 7 HB2 LYS 7 -1.686 -2.574 -7.496 46 HB3 LYS 7 HB3 LYS 7 -2.442 -4.029 -8.132 47 HG2 LYS 7 HG2 LYS 7 -0.379 -4.405 -8.939 48 HG3 LYS 7 HG3 LYS 7 -0.931 -3.349 -10.242 49 HD2 LYS 7 HD2 LYS 7 0.091 -1.431 -9.135 50 HD3 LYS 7 HD3 LYS 7 0.611 -2.464 -7.801 51 HE2 LYS 7 HE2 LYS 7 1.435 -2.925 -10.660 52 HE3 LYS 7 HE3 LYS 7 2.364 -1.930 -9.539 53 HZ1 LYS 7 HZ1 LYS 7 3.191 -4.207 -9.642 54 HZ2 LYS 7 HZ2 LYS 7 1.689 -4.794 -9.133 55 HZ3 LYS 7 HZ3 LYS 7 2.618 -3.836 -8.094 56 H VAL 8 H VAL 8 -3.954 -1.531 -6.940 57 HA VAL 8 HA VAL 8 -6.219 -3.233 -6.862 58 HB VAL 8 HB VAL 8 -6.897 -2.026 -4.893 59 HG11 VAL 8 HG11 VAL 8 -5.171 -2.675 -3.564 60 HG12 VAL 8 HG12 VAL 8 -4.640 -3.431 -5.068 61 HG13 VAL 8 HG13 VAL 8 -3.955 -1.884 -4.567 62 HG21 VAL 8 HG21 VAL 8 -4.883 0.050 -5.744 63 HG22 VAL 8 HG22 VAL 8 -6.633 0.245 -5.644 64 HG23 VAL 8 HG23 VAL 8 -5.685 0.020 -4.174 65 H LEU 9 H LEU 9 -5.639 -0.121 -8.246 66 HA LEU 9 HA LEU 9 -8.361 0.733 -8.359 67 HB2 LEU 9 HB2 LEU 9 -5.765 1.708 -9.227 68 HB3 LEU 9 HB3 LEU 9 -7.034 2.036 -10.405 69 HG LEU 9 HG LEU 9 -8.262 3.342 -8.841 70 HD11 LEU 9 HD11 LEU 9 -8.270 2.691 -6.715 71 HD12 LEU 9 HD12 LEU 9 -6.737 3.545 -6.539 72 HD13 LEU 9 HD13 LEU 9 -6.749 1.818 -6.898 73 HD21 LEU 9 HD21 LEU 9 -5.312 3.938 -8.765 74 HD22 LEU 9 HD22 LEU 9 -6.544 5.046 -8.163 75 HD23 LEU 9 HD23 LEU 9 -6.522 4.592 -9.868 76 H THR 10 H THR 10 -6.221 -1.061 -10.488 77 HA THR 10 HA THR 10 -8.086 -1.063 -12.687 78 HB THR 10 HB THR 10 -5.670 -2.844 -12.359 79 HG1 THR 10 HG1 THR 10 -5.895 -0.138 -13.153 80 HG21 THR 10 HG21 THR 10 -6.789 -3.644 -14.209 81 HG22 THR 10 HG22 THR 10 -5.762 -2.416 -14.949 82 HG23 THR 10 HG23 THR 10 -7.458 -2.065 -14.619 83 H THR 11 H THR 11 -7.196 -3.207 -10.059 84 HA THR 11 HA THR 11 -8.778 -5.404 -11.077 85 HB THR 11 HB THR 11 -8.274 -6.326 -8.696 86 HG1 THR 11 HG1 THR 11 -7.166 -5.018 -7.469 87 HG21 THR 11 HG21 THR 11 -7.127 -6.778 -11.012 88 HG22 THR 11 HG22 THR 11 -6.381 -7.353 -9.520 89 HG23 THR 11 HG23 THR 11 -5.790 -5.882 -10.293 90 H GLY 12 H GLY 12 -9.161 -2.748 -8.857 91 HA2 GLY 12 HA2 GLY 12 -11.467 -3.803 -7.521 92 HA3 GLY 12 HA3 GLY 12 -10.890 -2.145 -7.452 93 H LEU 13 H LEU 13 -10.954 -2.220 -10.525 94 HA LEU 13 HA LEU 13 -13.444 -0.933 -10.824 95 HB2 LEU 13 HB2 LEU 13 -11.989 -0.210 -12.410 96 HB3 LEU 13 HB3 LEU 13 -11.249 -1.797 -12.610 97 HG LEU 13 HG LEU 13 -13.201 -2.506 -13.945 98 HD11 LEU 13 HD11 LEU 13 -14.611 -0.523 -14.812 99 HD12 LEU 13 HD12 LEU 13 -14.093 0.284 -13.332 100 HD13 LEU 13 HD13 LEU 13 -15.000 -1.226 -13.242 101 HD21 LEU 13 HD21 LEU 13 -12.482 -0.110 -15.422 102 HD22 LEU 13 HD22 LEU 13 -12.148 -1.805 -15.781 103 HD23 LEU 13 HD23 LEU 13 -11.083 -0.904 -14.700 104 HA PRO 14 HA PRO 14 -14.882 -4.928 -13.134 105 HB2 PRO 14 HB2 PRO 14 -13.309 -7.129 -12.905 106 HB3 PRO 14 HB3 PRO 14 -13.112 -5.938 -14.196 107 HG2 PRO 14 HG2 PRO 14 -11.579 -6.234 -11.641 108 HG3 PRO 14 HG3 PRO 14 -10.977 -5.894 -13.274 109 HD2 PRO 14 HD2 PRO 14 -11.294 -3.960 -11.406 110 HD3 PRO 14 HD3 PRO 14 -11.512 -3.656 -13.142 111 H ALA 15 H ALA 15 -13.237 -5.176 -10.056 112 HA ALA 15 HA ALA 15 -14.942 -7.297 -9.083 113 HB1 ALA 15 HB1 ALA 15 -13.487 -7.493 -7.376 114 HB2 ALA 15 HB2 ALA 15 -12.439 -6.538 -8.425 115 HB3 ALA 15 HB3 ALA 15 -13.359 -5.750 -7.144 116 H LEU 16 H LEU 16 -14.857 -3.825 -9.021 117 HA LEU 16 HA LEU 16 -16.497 -3.335 -6.801 118 HB2 LEU 16 HB2 LEU 16 -15.306 -1.526 -7.754 119 HB3 LEU 16 HB3 LEU 16 -16.018 -1.803 -9.343 120 HG LEU 16 HG LEU 16 -18.032 -1.202 -7.341 121 HD11 LEU 16 HD11 LEU 16 -17.462 1.055 -6.870 122 HD12 LEU 16 HD12 LEU 16 -16.049 0.986 -7.921 123 HD13 LEU 16 HD13 LEU 16 -16.073 0.066 -6.417 124 HD21 LEU 16 HD21 LEU 16 -18.694 -1.035 -9.558 125 HD22 LEU 16 HD22 LEU 16 -17.210 -0.217 -10.047 126 HD23 LEU 16 HD23 LEU 16 -18.425 0.648 -9.104 127 H ILE 17 H ILE 17 -17.431 -3.320 -10.247 128 HA ILE 17 HA ILE 17 -20.217 -3.318 -9.679 129 HB ILE 17 HB ILE 17 -20.585 -3.475 -11.999 130 HG12 ILE 17 HG12 ILE 17 -19.098 -5.505 -12.274 131 HG13 ILE 17 HG13 ILE 17 -19.052 -4.352 -13.603 132 HG21 ILE 17 HG21 ILE 17 -19.014 -1.843 -12.964 133 HG22 ILE 17 HG22 ILE 17 -19.559 -1.380 -11.353 134 HG23 ILE 17 HG23 ILE 17 -17.951 -2.070 -11.575 135 HD11 ILE 17 HD11 ILE 17 -16.831 -5.107 -13.131 136 HD12 ILE 17 HD12 ILE 17 -16.971 -3.416 -12.650 137 HD13 ILE 17 HD13 ILE 17 -17.003 -4.686 -11.427 138 H SER 18 H SER 18 -17.836 -5.815 -10.159 139 HA SER 18 HA SER 18 -19.488 -7.974 -10.791 140 HB2 SER 18 HB2 SER 18 -17.155 -8.316 -10.995 141 HB3 SER 18 HB3 SER 18 -16.852 -7.800 -9.336 142 HG SER 18 HG SER 18 -16.757 -10.045 -9.460 143 H TRP 19 H TRP 19 -18.733 -6.483 -7.703 144 HA TRP 19 HA TRP 19 -19.715 -8.443 -5.981 145 HB2 TRP 19 HB2 TRP 19 -18.446 -6.481 -5.216 146 HB3 TRP 19 HB3 TRP 19 -19.802 -5.438 -5.633 147 HD1 TRP 19 HD1 TRP 19 -22.143 -5.963 -4.174 148 HE1 TRP 19 HE1 TRP 19 -22.357 -6.577 -1.684 149 HE3 TRP 19 HE3 TRP 19 -17.371 -7.588 -3.326 150 HZ2 TRP 19 HZ2 TRP 19 -20.720 -7.613 0.369 151 HZ3 TRP 19 HZ3 TRP 19 -16.776 -8.373 -1.071 152 HH2 TRP 19 HH2 TRP 19 -18.417 -8.384 0.736 153 H ILE 20 H ILE 20 -21.421 -5.590 -7.275 154 HA ILE 20 HA ILE 20 -23.947 -6.406 -6.228 155 HB ILE 20 HB ILE 20 -23.479 -4.049 -6.638 156 HG12 ILE 20 HG12 ILE 20 -25.662 -5.026 -8.490 157 HG13 ILE 20 HG13 ILE 20 -25.819 -4.921 -6.740 158 HG21 ILE 20 HG21 ILE 20 -22.040 -4.298 -8.592 159 HG22 ILE 20 HG22 ILE 20 -23.427 -4.797 -9.558 160 HG23 ILE 20 HG23 ILE 20 -23.348 -3.159 -8.911 161 HD11 ILE 20 HD11 ILE 20 -25.757 -2.766 -8.775 162 HD12 ILE 20 HD12 ILE 20 -26.784 -2.956 -7.353 163 HD13 ILE 20 HD13 ILE 20 -25.113 -2.424 -7.170 164 H LYS 21 H LYS 21 -22.288 -6.796 -9.292 165 HA LYS 21 HA LYS 21 -24.378 -7.555 -10.942 166 HB2 LYS 21 HB2 LYS 21 -21.468 -8.230 -10.843 167 HB3 LYS 21 HB3 LYS 21 -22.502 -9.110 -11.960 168 HG2 LYS 21 HG2 LYS 21 -23.160 -7.044 -13.032 169 HG3 LYS 21 HG3 LYS 21 -22.217 -6.113 -11.866 170 HD2 LYS 21 HD2 LYS 21 -20.167 -7.147 -12.670 171 HD3 LYS 21 HD3 LYS 21 -21.091 -8.146 -13.794 172 HE2 LYS 21 HE2 LYS 21 -21.842 -6.156 -14.973 173 HE3 LYS 21 HE3 LYS 21 -20.987 -5.130 -13.821 174 HZ1 LYS 21 HZ1 LYS 21 -19.745 -7.074 -15.692 175 HZ2 LYS 21 HZ2 LYS 21 -18.903 -6.153 -14.550 176 HZ3 LYS 21 HZ3 LYS 21 -19.704 -5.388 -15.830 177 H ARG 22 H ARG 22 -22.266 -9.739 -9.066 178 HA ARG 22 HA ARG 22 -23.620 -12.103 -9.605 179 HB2 ARG 22 HB2 ARG 22 -22.560 -12.989 -7.572 180 HB3 ARG 22 HB3 ARG 22 -21.426 -12.060 -8.543 181 HG2 ARG 22 HG2 ARG 22 -21.384 -10.294 -7.032 182 HG3 ARG 22 HG3 ARG 22 -22.891 -10.795 -6.262 183 HD2 ARG 22 HD2 ARG 22 -20.538 -12.625 -6.185 184 HD3 ARG 22 HD3 ARG 22 -20.576 -11.232 -5.105 185 HE ARG 22 HE ARG 22 -23.016 -12.510 -4.836 186 HH11 ARG 22 HH11 ARG 22 -19.655 -13.250 -4.311 187 HH12 ARG 22 HH12 ARG 22 -19.967 -14.363 -3.020 188 HH21 ARG 22 HH21 ARG 22 -23.439 -13.973 -3.137 189 HH22 ARG 22 HH22 ARG 22 -22.120 -14.773 -2.353 190 H LYS 23 H LYS 23 -24.424 -9.513 -7.442 191 HA LYS 23 HA LYS 23 -26.189 -10.873 -5.724 192 HB2 LYS 23 HB2 LYS 23 -25.207 -8.440 -5.635 193 HB3 LYS 23 HB3 LYS 23 -26.667 -8.027 -6.522 194 HG2 LYS 23 HG2 LYS 23 -28.058 -8.607 -4.757 195 HG3 LYS 23 HG3 LYS 23 -26.819 -9.597 -3.980 196 HD2 LYS 23 HD2 LYS 23 -26.383 -6.659 -4.327 197 HD3 LYS 23 HD3 LYS 23 -27.401 -7.249 -3.011 198 HE2 LYS 23 HE2 LYS 23 -24.624 -8.293 -3.496 199 HE3 LYS 23 HE3 LYS 23 -24.937 -6.879 -2.492 200 HZ1 LYS 23 HZ1 LYS 23 -26.677 -8.863 -1.644 201 HZ2 LYS 23 HZ2 LYS 23 -25.332 -8.253 -0.820 202 HZ3 LYS 23 HZ3 LYS 23 -25.168 -9.608 -1.818 203 H ARG 24 H ARG 24 -26.938 -8.829 -8.554 204 HA ARG 24 HA ARG 24 -29.539 -10.186 -8.744 205 HB2 ARG 24 HB2 ARG 24 -28.822 -7.698 -10.261 206 HB3 ARG 24 HB3 ARG 24 -30.410 -8.280 -9.778 207 HG2 ARG 24 HG2 ARG 24 -29.117 -7.892 -7.375 208 HG3 ARG 24 HG3 ARG 24 -28.554 -6.550 -8.374 209 HD2 ARG 24 HD2 ARG 24 -31.448 -7.306 -7.996 210 HD3 ARG 24 HD3 ARG 24 -30.618 -6.049 -7.079 211 HE ARG 24 HE ARG 24 -31.621 -5.853 -9.748 212 HH11 ARG 24 HH11 ARG 24 -29.172 -4.693 -7.562 213 HH12 ARG 24 HH12 ARG 24 -28.954 -3.190 -8.396 214 HH21 ARG 24 HH21 ARG 24 -31.343 -3.878 -10.856 215 HH22 ARG 24 HH22 ARG 24 -30.190 -2.728 -10.269 216 H GLN 25 H GLN 25 -27.318 -8.637 -11.067 217 HA GLN 25 HA GLN 25 -28.105 -10.196 -13.254 218 HB2 GLN 25 HB2 GLN 25 -26.458 -8.031 -12.883 219 HB3 GLN 25 HB3 GLN 25 -25.317 -9.293 -13.327 220 HG2 GLN 25 HG2 GLN 25 -26.847 -9.764 -15.300 221 HG3 GLN 25 HG3 GLN 25 -27.633 -8.235 -14.909 222 HE21 GLN 25 HE21 GLN 25 -24.439 -9.628 -15.533 223 HE22 GLN 25 HE22 GLN 25 -23.807 -8.249 -16.360 224 H GLN 26 H GLN 26 -26.124 -11.388 -14.497 225 HA GLN 26 HA GLN 26 -25.668 -13.757 -12.914 226 HB2 GLN 26 HB2 GLN 26 -26.204 -13.448 -15.514 227 HB3 GLN 26 HB3 GLN 26 -24.448 -13.458 -15.609 228 HG2 GLN 26 HG2 GLN 26 -26.046 -15.606 -14.245 229 HG3 GLN 26 HG3 GLN 26 -25.560 -15.674 -15.938 230 HE21 GLN 26 HE21 GLN 26 -23.127 -15.160 -16.214 231 HE22 GLN 26 HE22 GLN 26 -22.072 -16.019 -15.149 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.521 -1.883 0.112 2 HA2 GLY 1 HA2 GLY 1 2.273 -0.314 0.028 3 HA3 GLY 1 HA3 GLY 1 2.501 -1.205 -1.470 4 H ILE 2 H ILE 2 3.561 1.030 -1.827 5 HA ILE 2 HA ILE 2 1.808 3.217 -2.407 6 HB ILE 2 HB ILE 2 4.688 2.797 -3.216 7 HG12 ILE 2 HG12 ILE 2 4.429 2.808 -0.795 8 HG13 ILE 2 HG13 ILE 2 5.180 4.312 -1.320 9 HG21 ILE 2 HG21 ILE 2 4.169 4.503 -4.602 10 HG22 ILE 2 HG22 ILE 2 2.758 4.982 -3.661 11 HG23 ILE 2 HG23 ILE 2 4.372 5.464 -3.137 12 HD11 ILE 2 HD11 ILE 2 2.284 3.947 -0.592 13 HD12 ILE 2 HD12 ILE 2 3.524 4.707 0.407 14 HD13 ILE 2 HD13 ILE 2 3.037 5.454 -1.114 15 H GLY 3 H GLY 3 3.976 1.369 -4.565 16 HA2 GLY 3 HA2 GLY 3 2.776 2.249 -6.948 17 HA3 GLY 3 HA3 GLY 3 3.783 0.818 -6.784 18 H ALA 4 H ALA 4 1.664 -0.004 -4.649 19 HA ALA 4 HA ALA 4 0.165 -1.670 -6.428 20 HB1 ALA 4 HB1 ALA 4 -1.034 -1.924 -3.964 21 HB2 ALA 4 HB2 ALA 4 0.307 -2.897 -4.570 22 HB3 ALA 4 HB3 ALA 4 0.626 -1.486 -3.562 23 H VAL 5 H VAL 5 -0.309 1.430 -5.053 24 HA VAL 5 HA VAL 5 -3.044 1.631 -4.751 25 HB VAL 5 HB VAL 5 -1.452 3.444 -4.212 26 HG11 VAL 5 HG11 VAL 5 -1.499 4.270 -7.087 27 HG12 VAL 5 HG12 VAL 5 -0.396 4.762 -5.800 28 HG13 VAL 5 HG13 VAL 5 -0.274 3.147 -6.499 29 HG21 VAL 5 HG21 VAL 5 -3.996 3.718 -4.697 30 HG22 VAL 5 HG22 VAL 5 -2.984 5.149 -4.499 31 HG23 VAL 5 HG23 VAL 5 -3.440 4.609 -6.114 32 H LEU 6 H LEU 6 -1.134 1.912 -7.721 33 HA LEU 6 HA LEU 6 -3.405 2.480 -9.371 34 HB2 LEU 6 HB2 LEU 6 -1.790 2.030 -11.238 35 HB3 LEU 6 HB3 LEU 6 -1.328 3.310 -10.118 36 HG LEU 6 HG LEU 6 -0.205 0.753 -9.343 37 HD11 LEU 6 HD11 LEU 6 -0.145 0.136 -11.615 38 HD12 LEU 6 HD12 LEU 6 1.462 0.762 -11.250 39 HD13 LEU 6 HD13 LEU 6 0.306 1.762 -12.128 40 HD21 LEU 6 HD21 LEU 6 0.642 3.564 -9.760 41 HD22 LEU 6 HD22 LEU 6 1.893 2.321 -9.790 42 HD23 LEU 6 HD23 LEU 6 0.866 2.506 -8.367 43 H LYS 7 H LYS 7 -1.541 -0.392 -8.547 44 HA LYS 7 HA LYS 7 -2.647 -2.150 -10.434 45 HB2 LYS 7 HB2 LYS 7 -1.320 -2.502 -7.771 46 HB3 LYS 7 HB3 LYS 7 -2.066 -3.888 -8.557 47 HG2 LYS 7 HG2 LYS 7 -0.010 -4.123 -9.439 48 HG3 LYS 7 HG3 LYS 7 -0.616 -2.944 -10.605 49 HD2 LYS 7 HD2 LYS 7 0.377 -1.136 -9.281 50 HD3 LYS 7 HD3 LYS 7 0.990 -2.321 -8.125 51 HE2 LYS 7 HE2 LYS 7 2.681 -1.547 -9.780 52 HE3 LYS 7 HE3 LYS 7 2.421 -3.291 -9.781 53 HZ1 LYS 7 HZ1 LYS 7 0.809 -1.720 -11.632 54 HZ2 LYS 7 HZ2 LYS 7 1.508 -3.247 -11.833 55 HZ3 LYS 7 HZ3 LYS 7 2.457 -1.855 -11.992 56 H VAL 8 H VAL 8 -3.573 -1.555 -7.046 57 HA VAL 8 HA VAL 8 -5.810 -3.290 -7.081 58 HB VAL 8 HB VAL 8 -6.456 -2.285 -4.987 59 HG11 VAL 8 HG11 VAL 8 -4.698 -3.055 -3.773 60 HG12 VAL 8 HG12 VAL 8 -4.195 -3.647 -5.357 61 HG13 VAL 8 HG13 VAL 8 -3.510 -2.155 -4.714 62 HG21 VAL 8 HG21 VAL 8 -5.207 -0.316 -4.101 63 HG22 VAL 8 HG22 VAL 8 -4.488 -0.114 -5.699 64 HG23 VAL 8 HG23 VAL 8 -6.232 0.047 -5.490 65 H LEU 9 H LEU 9 -5.338 0.018 -8.045 66 HA LEU 9 HA LEU 9 -8.031 0.863 -8.006 67 HB2 LEU 9 HB2 LEU 9 -5.489 1.861 -8.949 68 HB3 LEU 9 HB3 LEU 9 -6.780 2.225 -10.093 69 HG LEU 9 HG LEU 9 -7.979 3.479 -8.455 70 HD11 LEU 9 HD11 LEU 9 -7.907 2.811 -6.338 71 HD12 LEU 9 HD12 LEU 9 -6.350 3.628 -6.209 72 HD13 LEU 9 HD13 LEU 9 -6.415 1.910 -6.604 73 HD21 LEU 9 HD21 LEU 9 -5.800 4.386 -9.569 74 HD22 LEU 9 HD22 LEU 9 -5.172 4.342 -7.922 75 HD23 LEU 9 HD23 LEU 9 -6.597 5.312 -8.298 76 H THR 10 H THR 10 -6.090 -0.829 -10.398 77 HA THR 10 HA THR 10 -8.144 -0.691 -12.424 78 HB THR 10 HB THR 10 -6.554 -2.478 -13.507 79 HG1 THR 10 HG1 THR 10 -4.582 -2.621 -12.614 80 HG21 THR 10 HG21 THR 10 -5.191 -0.698 -14.434 81 HG22 THR 10 HG22 THR 10 -5.628 0.368 -13.099 82 HG23 THR 10 HG23 THR 10 -6.855 -0.140 -14.259 83 H THR 11 H THR 11 -6.999 -2.993 -10.039 84 HA THR 11 HA THR 11 -8.530 -5.196 -11.049 85 HB THR 11 HB THR 11 -7.410 -4.923 -8.259 86 HG1 THR 11 HG1 THR 11 -5.684 -4.590 -9.624 87 HG21 THR 11 HG21 THR 11 -7.853 -7.114 -8.000 88 HG22 THR 11 HG22 THR 11 -7.362 -7.505 -9.648 89 HG23 THR 11 HG23 THR 11 -8.981 -6.880 -9.336 90 H GLY 12 H GLY 12 -9.067 -2.604 -8.776 91 HA2 GLY 12 HA2 GLY 12 -11.368 -3.785 -7.534 92 HA3 GLY 12 HA3 GLY 12 -10.848 -2.113 -7.389 93 H LEU 13 H LEU 13 -10.845 -2.204 -10.506 94 HA LEU 13 HA LEU 13 -13.319 -0.897 -10.840 95 HB2 LEU 13 HB2 LEU 13 -11.847 -0.212 -12.427 96 HB3 LEU 13 HB3 LEU 13 -11.123 -1.809 -12.599 97 HG LEU 13 HG LEU 13 -13.073 -2.517 -13.937 98 HD11 LEU 13 HD11 LEU 13 -14.374 -0.397 -14.837 99 HD12 LEU 13 HD12 LEU 13 -13.984 0.218 -13.231 100 HD13 LEU 13 HD13 LEU 13 -14.905 -1.276 -13.403 101 HD21 LEU 13 HD21 LEU 13 -12.572 -0.598 -15.773 102 HD22 LEU 13 HD22 LEU 13 -11.500 -1.960 -15.447 103 HD23 LEU 13 HD23 LEU 13 -11.187 -0.393 -14.700 104 HA PRO 14 HA PRO 14 -14.785 -4.910 -13.102 105 HB2 PRO 14 HB2 PRO 14 -13.237 -7.123 -12.831 106 HB3 PRO 14 HB3 PRO 14 -13.019 -5.953 -14.138 107 HG2 PRO 14 HG2 PRO 14 -11.505 -6.228 -11.570 108 HG3 PRO 14 HG3 PRO 14 -10.890 -5.918 -13.204 109 HD2 PRO 14 HD2 PRO 14 -11.197 -3.954 -11.366 110 HD3 PRO 14 HD3 PRO 14 -11.402 -3.673 -13.107 111 H ALA 15 H ALA 15 -13.158 -5.135 -10.011 112 HA ALA 15 HA ALA 15 -14.891 -7.223 -9.018 113 HB1 ALA 15 HB1 ALA 15 -12.391 -6.172 -8.283 114 HB2 ALA 15 HB2 ALA 15 -13.479 -5.866 -6.929 115 HB3 ALA 15 HB3 ALA 15 -13.266 -7.508 -7.535 116 H LEU 16 H LEU 16 -14.773 -3.751 -9.005 117 HA LEU 16 HA LEU 16 -16.421 -3.214 -6.803 118 HB2 LEU 16 HB2 LEU 16 -15.201 -1.436 -7.791 119 HB3 LEU 16 HB3 LEU 16 -15.934 -1.722 -9.368 120 HG LEU 16 HG LEU 16 -17.950 -1.089 -7.405 121 HD11 LEU 16 HD11 LEU 16 -15.775 0.962 -7.791 122 HD12 LEU 16 HD12 LEU 16 -16.135 0.112 -6.289 123 HD13 LEU 16 HD13 LEU 16 -17.319 1.221 -6.980 124 HD21 LEU 16 HD21 LEU 16 -17.010 -0.014 -10.039 125 HD22 LEU 16 HD22 LEU 16 -18.259 0.816 -9.111 126 HD23 LEU 16 HD23 LEU 16 -18.516 -0.845 -9.649 127 H ILE 17 H ILE 17 -17.337 -3.246 -10.254 128 HA ILE 17 HA ILE 17 -20.126 -3.216 -9.697 129 HB ILE 17 HB ILE 17 -20.486 -3.395 -12.017 130 HG12 ILE 17 HG12 ILE 17 -19.008 -5.436 -12.264 131 HG13 ILE 17 HG13 ILE 17 -18.953 -4.297 -13.605 132 HG21 ILE 17 HG21 ILE 17 -19.450 -1.299 -11.386 133 HG22 ILE 17 HG22 ILE 17 -17.847 -2.001 -11.595 134 HG23 ILE 17 HG23 ILE 17 -18.902 -1.781 -12.991 135 HD11 ILE 17 HD11 ILE 17 -16.870 -3.361 -12.659 136 HD12 ILE 17 HD12 ILE 17 -16.911 -4.617 -11.421 137 HD13 ILE 17 HD13 ILE 17 -16.737 -5.057 -13.120 138 H SER 18 H SER 18 -17.760 -5.734 -10.163 139 HA SER 18 HA SER 18 -19.389 -7.894 -10.794 140 HB2 SER 18 HB2 SER 18 -17.063 -8.269 -10.898 141 HB3 SER 18 HB3 SER 18 -16.808 -7.690 -9.252 142 HG SER 18 HG SER 18 -17.978 -10.123 -10.097 143 H TRP 19 H TRP 19 -18.900 -6.257 -7.755 144 HA TRP 19 HA TRP 19 -19.954 -8.242 -6.046 145 HB2 TRP 19 HB2 TRP 19 -18.722 -5.879 -5.625 146 HB3 TRP 19 HB3 TRP 19 -20.390 -5.401 -5.322 147 HD1 TRP 19 HD1 TRP 19 -17.872 -8.085 -4.093 148 HE1 TRP 19 HE1 TRP 19 -18.396 -8.588 -1.624 149 HE3 TRP 19 HE3 TRP 19 -22.014 -5.142 -3.526 150 HZ2 TRP 19 HZ2 TRP 19 -20.311 -7.837 0.309 151 HZ3 TRP 19 HZ3 TRP 19 -23.134 -5.092 -1.336 152 HH2 TRP 19 HH2 TRP 19 -22.299 -6.412 0.541 153 H ILE 20 H ILE 20 -21.468 -5.378 -7.523 154 HA ILE 20 HA ILE 20 -24.073 -6.019 -6.537 155 HB ILE 20 HB ILE 20 -23.516 -3.711 -7.013 156 HG12 ILE 20 HG12 ILE 20 -25.586 -4.723 -8.975 157 HG13 ILE 20 HG13 ILE 20 -25.870 -4.452 -7.259 158 HG21 ILE 20 HG21 ILE 20 -21.930 -3.993 -8.798 159 HG22 ILE 20 HG22 ILE 20 -23.181 -4.634 -9.862 160 HG23 ILE 20 HG23 ILE 20 -23.234 -2.945 -9.357 161 HD11 ILE 20 HD11 ILE 20 -25.344 -2.066 -7.590 162 HD12 ILE 20 HD12 ILE 20 -25.181 -2.373 -9.319 163 HD13 ILE 20 HD13 ILE 20 -26.737 -2.608 -8.524 164 H LYS 21 H LYS 21 -22.287 -6.689 -9.466 165 HA LYS 21 HA LYS 21 -24.374 -7.426 -11.164 166 HB2 LYS 21 HB2 LYS 21 -21.495 -8.258 -10.965 167 HB3 LYS 21 HB3 LYS 21 -22.560 -9.000 -12.153 168 HG2 LYS 21 HG2 LYS 21 -21.926 -6.065 -11.920 169 HG3 LYS 21 HG3 LYS 21 -21.307 -7.179 -13.141 170 HD2 LYS 21 HD2 LYS 21 -23.956 -7.573 -13.440 171 HD3 LYS 21 HD3 LYS 21 -23.952 -5.889 -12.909 172 HE2 LYS 21 HE2 LYS 21 -23.787 -5.691 -15.210 173 HE3 LYS 21 HE3 LYS 21 -22.104 -5.586 -14.696 174 HZ1 LYS 21 HZ1 LYS 21 -21.696 -7.777 -15.376 175 HZ2 LYS 21 HZ2 LYS 21 -22.600 -7.098 -16.634 176 HZ3 LYS 21 HZ3 LYS 21 -23.342 -8.142 -15.529 177 H ARG 22 H ARG 22 -22.364 -9.552 -9.120 178 HA ARG 22 HA ARG 22 -23.725 -11.923 -9.603 179 HB2 ARG 22 HB2 ARG 22 -22.781 -12.703 -7.452 180 HB3 ARG 22 HB3 ARG 22 -21.589 -11.898 -8.463 181 HG2 ARG 22 HG2 ARG 22 -21.310 -10.191 -7.016 182 HG3 ARG 22 HG3 ARG 22 -23.002 -10.196 -6.515 183 HD2 ARG 22 HD2 ARG 22 -22.463 -11.326 -4.683 184 HD3 ARG 22 HD3 ARG 22 -21.830 -12.640 -5.675 185 HE ARG 22 HE ARG 22 -20.001 -10.445 -5.358 186 HH11 ARG 22 HH11 ARG 22 -21.171 -13.421 -3.981 187 HH12 ARG 22 HH12 ARG 22 -19.722 -13.727 -3.082 188 HH21 ARG 22 HH21 ARG 22 -18.088 -10.837 -4.179 189 HH22 ARG 22 HH22 ARG 22 -17.970 -12.256 -3.194 190 H LYS 23 H LYS 23 -24.591 -9.221 -7.613 191 HA LYS 23 HA LYS 23 -26.406 -10.430 -5.862 192 HB2 LYS 23 HB2 LYS 23 -25.497 -7.997 -5.938 193 HB3 LYS 23 HB3 LYS 23 -26.866 -7.688 -6.998 194 HG2 LYS 23 HG2 LYS 23 -27.835 -7.155 -5.026 195 HG3 LYS 23 HG3 LYS 23 -28.169 -8.888 -5.018 196 HD2 LYS 23 HD2 LYS 23 -26.950 -9.167 -3.177 197 HD3 LYS 23 HD3 LYS 23 -25.560 -8.376 -3.925 198 HE2 LYS 23 HE2 LYS 23 -27.870 -6.870 -2.716 199 HE3 LYS 23 HE3 LYS 23 -26.424 -7.311 -1.809 200 HZ1 LYS 23 HZ1 LYS 23 -25.178 -6.126 -3.675 201 HZ2 LYS 23 HZ2 LYS 23 -26.001 -5.167 -2.551 202 HZ3 LYS 23 HZ3 LYS 23 -26.672 -5.441 -4.080 203 H ARG 24 H ARG 24 -27.050 -8.804 -8.971 204 HA ARG 24 HA ARG 24 -29.671 -10.125 -9.047 205 HB2 ARG 24 HB2 ARG 24 -28.774 -7.987 -10.958 206 HB3 ARG 24 HB3 ARG 24 -30.410 -8.435 -10.494 207 HG2 ARG 24 HG2 ARG 24 -29.222 -7.634 -8.120 208 HG3 ARG 24 HG3 ARG 24 -28.625 -6.491 -9.325 209 HD2 ARG 24 HD2 ARG 24 -30.570 -5.447 -8.759 210 HD3 ARG 24 HD3 ARG 24 -31.170 -6.488 -10.049 211 HE ARG 24 HE ARG 24 -32.428 -7.593 -8.499 212 HH11 ARG 24 HH11 ARG 24 -29.887 -5.873 -6.853 213 HH12 ARG 24 HH12 ARG 24 -30.479 -6.252 -5.270 214 HH21 ARG 24 HH21 ARG 24 -33.217 -8.098 -6.420 215 HH22 ARG 24 HH22 ARG 24 -32.372 -7.518 -5.024 216 H GLN 25 H GLN 25 -27.290 -9.123 -11.508 217 HA GLN 25 HA GLN 25 -28.029 -11.299 -13.226 218 HB2 GLN 25 HB2 GLN 25 -26.877 -8.834 -13.621 219 HB3 GLN 25 HB3 GLN 25 -25.514 -9.923 -13.841 220 HG2 GLN 25 HG2 GLN 25 -27.097 -11.222 -15.407 221 HG3 GLN 25 HG3 GLN 25 -28.051 -9.740 -15.408 222 HE21 GLN 25 HE21 GLN 25 -27.718 -8.950 -17.386 223 HE22 GLN 25 HE22 GLN 25 -26.172 -8.586 -18.064 224 H GLN 26 H GLN 26 -25.741 -12.225 -14.325 225 HA GLN 26 HA GLN 26 -24.747 -13.966 -12.226 226 HB2 GLN 26 HB2 GLN 26 -25.493 -14.667 -14.610 227 HB3 GLN 26 HB3 GLN 26 -23.906 -14.095 -15.106 228 HG2 GLN 26 HG2 GLN 26 -22.796 -15.733 -13.874 229 HG3 GLN 26 HG3 GLN 26 -24.218 -16.087 -12.894 230 HE21 GLN 26 HE21 GLN 26 -23.343 -18.279 -13.667 231 HE22 GLN 26 HE22 GLN 26 -24.078 -18.912 -15.097 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.456 -0.613 0.882 2 HA2 GLY 1 HA2 GLY 1 2.648 -1.320 -1.299 3 HA3 GLY 1 HA3 GLY 1 0.906 -1.553 -1.311 4 H ILE 2 H ILE 2 3.376 0.996 -1.474 5 HA ILE 2 HA ILE 2 1.747 3.049 -2.420 6 HB ILE 2 HB ILE 2 4.657 2.577 -3.080 7 HG12 ILE 2 HG12 ILE 2 4.204 2.626 -0.655 8 HG13 ILE 2 HG13 ILE 2 5.129 4.031 -1.173 9 HG21 ILE 2 HG21 ILE 2 3.948 4.216 -4.571 10 HG22 ILE 2 HG22 ILE 2 2.841 4.937 -3.404 11 HG23 ILE 2 HG23 ILE 2 4.582 5.147 -3.215 12 HD11 ILE 2 HD11 ILE 2 2.721 3.964 0.277 13 HD12 ILE 2 HD12 ILE 2 3.609 5.374 -0.301 14 HD13 ILE 2 HD13 ILE 2 2.352 4.651 -1.305 15 H GLY 3 H GLY 3 3.495 0.526 -4.187 16 HA2 GLY 3 HA2 GLY 3 2.718 1.541 -6.766 17 HA3 GLY 3 HA3 GLY 3 3.520 0.011 -6.443 18 H ALA 4 H ALA 4 1.199 -0.389 -4.403 19 HA ALA 4 HA ALA 4 -0.405 -1.968 -6.174 20 HB1 ALA 4 HB1 ALA 4 -0.050 -1.684 -3.306 21 HB2 ALA 4 HB2 ALA 4 -1.741 -1.902 -3.759 22 HB3 ALA 4 HB3 ALA 4 -0.536 -3.091 -4.253 23 H VAL 5 H VAL 5 -0.553 1.242 -4.982 24 HA VAL 5 HA VAL 5 -3.254 1.794 -4.861 25 HB VAL 5 HB VAL 5 -1.487 3.424 -4.300 26 HG11 VAL 5 HG11 VAL 5 -0.206 2.860 -6.474 27 HG12 VAL 5 HG12 VAL 5 -1.241 4.085 -7.209 28 HG13 VAL 5 HG13 VAL 5 -0.175 4.516 -5.871 29 HG21 VAL 5 HG21 VAL 5 -3.975 3.912 -5.469 30 HG22 VAL 5 HG22 VAL 5 -3.037 5.013 -4.460 31 HG23 VAL 5 HG23 VAL 5 -2.875 5.071 -6.215 32 H LEU 6 H LEU 6 -1.157 1.686 -7.713 33 HA LEU 6 HA LEU 6 -3.236 2.444 -9.529 34 HB2 LEU 6 HB2 LEU 6 -1.592 1.702 -11.268 35 HB3 LEU 6 HB3 LEU 6 -1.021 2.958 -10.171 36 HG LEU 6 HG LEU 6 -0.304 0.314 -9.229 37 HD11 LEU 6 HD11 LEU 6 1.477 0.074 -11.059 38 HD12 LEU 6 HD12 LEU 6 0.411 1.083 -12.037 39 HD13 LEU 6 HD13 LEU 6 -0.163 -0.467 -11.420 40 HD21 LEU 6 HD21 LEU 6 0.977 2.948 -9.752 41 HD22 LEU 6 HD22 LEU 6 2.010 1.530 -9.572 42 HD23 LEU 6 HD23 LEU 6 0.914 1.994 -8.270 43 H LYS 7 H LYS 7 -1.821 -0.594 -8.450 44 HA LYS 7 HA LYS 7 -3.041 -2.293 -10.324 45 HB2 LYS 7 HB2 LYS 7 -1.906 -2.670 -7.579 46 HB3 LYS 7 HB3 LYS 7 -2.791 -3.988 -8.335 47 HG2 LYS 7 HG2 LYS 7 -0.751 -4.541 -9.100 48 HG3 LYS 7 HG3 LYS 7 -1.132 -3.349 -10.345 49 HD2 LYS 7 HD2 LYS 7 0.050 -1.632 -9.077 50 HD3 LYS 7 HD3 LYS 7 0.400 -2.801 -7.801 51 HE2 LYS 7 HE2 LYS 7 1.218 -3.547 -10.543 52 HE3 LYS 7 HE3 LYS 7 2.109 -2.226 -9.789 53 HZ1 LYS 7 HZ1 LYS 7 1.759 -4.966 -8.699 54 HZ2 LYS 7 HZ2 LYS 7 2.521 -3.697 -7.880 55 HZ3 LYS 7 HZ3 LYS 7 3.188 -4.299 -9.314 56 H VAL 8 H VAL 8 -4.055 -1.408 -7.026 57 HA VAL 8 HA VAL 8 -6.495 -2.842 -7.113 58 HB VAL 8 HB VAL 8 -7.112 -1.654 -5.106 59 HG11 VAL 8 HG11 VAL 8 -4.203 -1.884 -4.640 60 HG12 VAL 8 HG12 VAL 8 -5.555 -2.613 -3.771 61 HG13 VAL 8 HG13 VAL 8 -5.012 -3.305 -5.301 62 HG21 VAL 8 HG21 VAL 8 -6.553 0.599 -5.697 63 HG22 VAL 8 HG22 VAL 8 -5.658 0.179 -4.237 64 HG23 VAL 8 HG23 VAL 8 -4.838 0.200 -5.798 65 H LEU 9 H LEU 9 -5.540 0.299 -8.233 66 HA LEU 9 HA LEU 9 -8.101 1.492 -8.376 67 HB2 LEU 9 HB2 LEU 9 -5.405 2.107 -9.209 68 HB3 LEU 9 HB3 LEU 9 -6.573 2.567 -10.446 69 HG LEU 9 HG LEU 9 -7.695 4.044 -8.939 70 HD11 LEU 9 HD11 LEU 9 -6.447 2.399 -6.933 71 HD12 LEU 9 HD12 LEU 9 -7.794 3.527 -6.784 72 HD13 LEU 9 HD13 LEU 9 -6.137 4.108 -6.626 73 HD21 LEU 9 HD21 LEU 9 -5.845 5.093 -9.958 74 HD22 LEU 9 HD22 LEU 9 -4.698 4.287 -8.889 75 HD23 LEU 9 HD23 LEU 9 -5.767 5.539 -8.254 76 H THR 10 H THR 10 -6.276 -0.560 -10.567 77 HA THR 10 HA THR 10 -8.335 -0.337 -12.621 78 HB THR 10 HB THR 10 -6.006 -0.303 -13.367 79 HG1 THR 10 HG1 THR 10 -6.276 -1.834 -14.992 80 HG21 THR 10 HG21 THR 10 -4.592 -2.285 -13.174 81 HG22 THR 10 HG22 THR 10 -5.847 -3.103 -12.244 82 HG23 THR 10 HG23 THR 10 -5.041 -1.683 -11.579 83 H THR 11 H THR 11 -7.057 -2.636 -10.298 84 HA THR 11 HA THR 11 -8.541 -4.874 -11.278 85 HB THR 11 HB THR 11 -7.258 -4.462 -8.571 86 HG1 THR 11 HG1 THR 11 -5.502 -5.497 -9.471 87 HG21 THR 11 HG21 THR 11 -7.238 -7.036 -8.685 88 HG22 THR 11 HG22 THR 11 -8.494 -6.848 -9.909 89 HG23 THR 11 HG23 THR 11 -8.754 -6.235 -8.276 90 H GLY 12 H GLY 12 -9.143 -2.299 -9.002 91 HA2 GLY 12 HA2 GLY 12 -11.397 -3.553 -7.744 92 HA3 GLY 12 HA3 GLY 12 -10.928 -1.865 -7.601 93 H LEU 13 H LEU 13 -10.947 -1.978 -10.725 94 HA LEU 13 HA LEU 13 -13.456 -0.734 -11.042 95 HB2 LEU 13 HB2 LEU 13 -12.018 -0.024 -12.649 96 HB3 LEU 13 HB3 LEU 13 -11.256 -1.604 -12.818 97 HG LEU 13 HG LEU 13 -13.202 -2.368 -14.130 98 HD11 LEU 13 HD11 LEU 13 -15.087 -1.213 -13.737 99 HD12 LEU 13 HD12 LEU 13 -14.482 -0.151 -15.007 100 HD13 LEU 13 HD13 LEU 13 -14.220 0.263 -13.313 101 HD21 LEU 13 HD21 LEU 13 -11.167 -1.395 -15.183 102 HD22 LEU 13 HD22 LEU 13 -11.995 0.161 -15.240 103 HD23 LEU 13 HD23 LEU 13 -12.632 -1.211 -16.148 104 HA PRO 14 HA PRO 14 -14.843 -4.798 -13.261 105 HB2 PRO 14 HB2 PRO 14 -13.238 -6.970 -12.990 106 HB3 PRO 14 HB3 PRO 14 -13.062 -5.804 -14.307 107 HG2 PRO 14 HG2 PRO 14 -11.517 -6.023 -11.753 108 HG3 PRO 14 HG3 PRO 14 -10.926 -5.710 -13.395 109 HD2 PRO 14 HD2 PRO 14 -11.264 -3.740 -11.568 110 HD3 PRO 14 HD3 PRO 14 -11.493 -3.477 -13.309 111 H ALA 15 H ALA 15 -13.186 -4.953 -10.184 112 HA ALA 15 HA ALA 15 -14.856 -7.078 -9.159 113 HB1 ALA 15 HB1 ALA 15 -12.373 -6.379 -8.535 114 HB2 ALA 15 HB2 ALA 15 -13.223 -5.410 -7.331 115 HB3 ALA 15 HB3 ALA 15 -13.448 -7.158 -7.375 116 H LEU 16 H LEU 16 -14.823 -3.605 -9.173 117 HA LEU 16 HA LEU 16 -16.462 -3.090 -6.959 118 HB2 LEU 16 HB2 LEU 16 -15.294 -1.291 -7.973 119 HB3 LEU 16 HB3 LEU 16 -16.037 -1.607 -9.540 120 HG LEU 16 HG LEU 16 -18.045 -1.006 -7.556 121 HD11 LEU 16 HD11 LEU 16 -17.269 1.502 -7.584 122 HD12 LEU 16 HD12 LEU 16 -15.667 0.778 -7.715 123 HD13 LEU 16 HD13 LEU 16 -16.700 0.389 -6.339 124 HD21 LEU 16 HD21 LEU 16 -18.395 0.887 -9.286 125 HD22 LEU 16 HD22 LEU 16 -18.672 -0.784 -9.775 126 HD23 LEU 16 HD23 LEU 16 -17.173 0.030 -10.225 127 H ILE 17 H ILE 17 -17.409 -3.174 -10.401 128 HA ILE 17 HA ILE 17 -20.193 -3.202 -9.819 129 HB ILE 17 HB ILE 17 -20.569 -3.419 -12.134 130 HG12 ILE 17 HG12 ILE 17 -19.046 -5.427 -12.370 131 HG13 ILE 17 HG13 ILE 17 -19.027 -4.304 -13.724 132 HG21 ILE 17 HG21 ILE 17 -19.030 -1.781 -13.142 133 HG22 ILE 17 HG22 ILE 17 -19.579 -1.292 -11.540 134 HG23 ILE 17 HG23 ILE 17 -17.960 -1.957 -11.751 135 HD11 ILE 17 HD11 ILE 17 -16.960 -3.307 -12.804 136 HD12 ILE 17 HD12 ILE 17 -16.962 -4.553 -11.554 137 HD13 ILE 17 HD13 ILE 17 -16.791 -5.005 -13.250 138 H SER 18 H SER 18 -17.774 -5.672 -10.268 139 HA SER 18 HA SER 18 -19.396 -7.870 -10.839 140 HB2 SER 18 HB2 SER 18 -17.057 -8.174 -11.052 141 HB3 SER 18 HB3 SER 18 -16.754 -7.625 -9.404 142 HG SER 18 HG SER 18 -17.262 -10.109 -10.291 143 H TRP 19 H TRP 19 -18.781 -6.202 -7.839 144 HA TRP 19 HA TRP 19 -19.686 -8.177 -6.050 145 HB2 TRP 19 HB2 TRP 19 -18.420 -6.180 -5.345 146 HB3 TRP 19 HB3 TRP 19 -19.803 -5.168 -5.753 147 HD1 TRP 19 HD1 TRP 19 -22.043 -5.517 -4.193 148 HE1 TRP 19 HE1 TRP 19 -22.229 -6.178 -1.712 149 HE3 TRP 19 HE3 TRP 19 -17.384 -7.515 -3.534 150 HZ2 TRP 19 HZ2 TRP 19 -20.613 -7.385 0.263 151 HZ3 TRP 19 HZ3 TRP 19 -16.783 -8.401 -1.319 152 HH2 TRP 19 HH2 TRP 19 -18.365 -8.336 0.539 153 H ILE 20 H ILE 20 -21.398 -5.422 -7.519 154 HA ILE 20 HA ILE 20 -23.922 -6.155 -6.397 155 HB ILE 20 HB ILE 20 -23.496 -3.837 -6.953 156 HG12 ILE 20 HG12 ILE 20 -25.559 -4.739 -8.946 157 HG13 ILE 20 HG13 ILE 20 -25.823 -4.952 -7.219 158 HG21 ILE 20 HG21 ILE 20 -23.245 -4.817 -9.792 159 HG22 ILE 20 HG22 ILE 20 -23.360 -3.121 -9.325 160 HG23 ILE 20 HG23 ILE 20 -21.981 -4.088 -8.802 161 HD11 ILE 20 HD11 ILE 20 -26.888 -2.938 -7.877 162 HD12 ILE 20 HD12 ILE 20 -25.453 -2.496 -6.952 163 HD13 ILE 20 HD13 ILE 20 -25.441 -2.373 -8.711 164 H LYS 21 H LYS 21 -22.241 -6.821 -9.388 165 HA LYS 21 HA LYS 21 -24.415 -7.733 -10.919 166 HB2 LYS 21 HB2 LYS 21 -21.461 -8.289 -10.990 167 HB3 LYS 21 HB3 LYS 21 -22.561 -9.108 -12.090 168 HG2 LYS 21 HG2 LYS 21 -22.168 -6.131 -11.861 169 HG3 LYS 21 HG3 LYS 21 -21.563 -7.173 -13.151 170 HD2 LYS 21 HD2 LYS 21 -24.192 -7.794 -13.208 171 HD3 LYS 21 HD3 LYS 21 -24.273 -6.113 -12.677 172 HE2 LYS 21 HE2 LYS 21 -22.799 -5.516 -14.602 173 HE3 LYS 21 HE3 LYS 21 -22.943 -7.182 -15.162 174 HZ1 LYS 21 HZ1 LYS 21 -25.508 -6.517 -14.836 175 HZ2 LYS 21 HZ2 LYS 21 -24.674 -6.359 -16.299 176 HZ3 LYS 21 HZ3 LYS 21 -24.864 -5.018 -15.285 177 H ARG 22 H ARG 22 -22.051 -9.581 -8.992 178 HA ARG 22 HA ARG 22 -23.143 -12.108 -9.372 179 HB2 ARG 22 HB2 ARG 22 -21.954 -12.770 -7.351 180 HB3 ARG 22 HB3 ARG 22 -20.953 -11.705 -8.328 181 HG2 ARG 22 HG2 ARG 22 -21.164 -9.933 -6.843 182 HG3 ARG 22 HG3 ARG 22 -22.603 -10.616 -6.084 183 HD2 ARG 22 HD2 ARG 22 -21.174 -12.471 -5.220 184 HD3 ARG 22 HD3 ARG 22 -19.768 -11.612 -5.848 185 HE ARG 22 HE ARG 22 -21.100 -9.808 -4.250 186 HH11 ARG 22 HH11 ARG 22 -19.616 -12.932 -3.851 187 HH12 ARG 22 HH12 ARG 22 -19.186 -12.661 -2.195 188 HH21 ARG 22 HH21 ARG 22 -20.539 -9.439 -2.070 189 HH22 ARG 22 HH22 ARG 22 -19.712 -10.674 -1.183 190 H LYS 23 H LYS 23 -24.211 -9.490 -7.363 191 HA LYS 23 HA LYS 23 -25.726 -10.760 -5.441 192 HB2 LYS 23 HB2 LYS 23 -25.322 -8.262 -5.758 193 HB3 LYS 23 HB3 LYS 23 -26.659 -8.292 -6.900 194 HG2 LYS 23 HG2 LYS 23 -28.218 -8.488 -5.282 195 HG3 LYS 23 HG3 LYS 23 -27.186 -9.486 -4.256 196 HD2 LYS 23 HD2 LYS 23 -26.543 -6.593 -4.672 197 HD3 LYS 23 HD3 LYS 23 -27.789 -7.065 -3.514 198 HE2 LYS 23 HE2 LYS 23 -26.213 -8.405 -2.288 199 HE3 LYS 23 HE3 LYS 23 -24.970 -8.136 -3.509 200 HZ1 LYS 23 HZ1 LYS 23 -26.050 -5.704 -2.428 201 HZ2 LYS 23 HZ2 LYS 23 -24.438 -6.175 -2.626 202 HZ3 LYS 23 HZ3 LYS 23 -25.301 -6.670 -1.258 203 H ARG 24 H ARG 24 -26.628 -9.977 -8.778 204 HA ARG 24 HA ARG 24 -28.847 -11.894 -8.533 205 HB2 ARG 24 HB2 ARG 24 -29.806 -10.224 -10.426 206 HB3 ARG 24 HB3 ARG 24 -30.185 -10.078 -8.715 207 HG2 ARG 24 HG2 ARG 24 -28.845 -8.245 -8.430 208 HG3 ARG 24 HG3 ARG 24 -27.783 -8.678 -9.772 209 HD2 ARG 24 HD2 ARG 24 -28.986 -7.487 -11.222 210 HD3 ARG 24 HD3 ARG 24 -30.498 -8.194 -10.655 211 HE ARG 24 HE ARG 24 -29.480 -5.630 -10.005 212 HH11 ARG 24 HH11 ARG 24 -31.228 -8.323 -8.659 213 HH12 ARG 24 HH12 ARG 24 -32.076 -7.359 -7.495 214 HH21 ARG 24 HH21 ARG 24 -30.590 -4.350 -8.477 215 HH22 ARG 24 HH22 ARG 24 -31.713 -5.099 -7.394 216 H GLN 25 H GLN 25 -27.559 -9.945 -11.214 217 HA GLN 25 HA GLN 25 -26.489 -12.326 -12.493 218 HB2 GLN 25 HB2 GLN 25 -28.886 -10.831 -13.461 219 HB3 GLN 25 HB3 GLN 25 -27.759 -11.475 -14.648 220 HG2 GLN 25 HG2 GLN 25 -28.033 -13.690 -13.334 221 HG3 GLN 25 HG3 GLN 25 -29.494 -12.931 -12.705 222 HE21 GLN 25 HE21 GLN 25 -29.617 -15.236 -14.181 223 HE22 GLN 25 HE22 GLN 25 -30.353 -14.908 -15.709 224 H GLN 26 H GLN 26 -25.062 -11.871 -14.237 225 HA GLN 26 HA GLN 26 -23.511 -9.548 -13.886 226 HB2 GLN 26 HB2 GLN 26 -23.571 -11.661 -16.030 227 HB3 GLN 26 HB3 GLN 26 -22.446 -10.310 -16.088 228 HG2 GLN 26 HG2 GLN 26 -21.170 -11.925 -15.087 229 HG3 GLN 26 HG3 GLN 26 -21.820 -11.076 -13.686 230 HE21 GLN 26 HE21 GLN 26 -21.957 -13.973 -15.605 231 HE22 GLN 26 HE22 GLN 26 -22.830 -14.931 -14.463 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.816 -2.792 -0.219 2 HA2 GLY 1 HA2 GLY 1 1.621 -2.950 -0.494 3 HA3 GLY 1 HA3 GLY 1 1.322 -3.388 -2.170 4 H ILE 2 H ILE 2 2.981 -1.244 -1.191 5 HA ILE 2 HA ILE 2 1.694 1.258 -1.391 6 HB ILE 2 HB ILE 2 4.580 0.589 -1.982 7 HG12 ILE 2 HG12 ILE 2 3.910 -0.094 0.275 8 HG13 ILE 2 HG13 ILE 2 4.993 1.292 0.339 9 HG21 ILE 2 HG21 ILE 2 3.055 3.107 -1.898 10 HG22 ILE 2 HG22 ILE 2 4.602 3.118 -1.052 11 HG23 ILE 2 HG23 ILE 2 4.536 2.703 -2.765 12 HD11 ILE 2 HD11 ILE 2 2.010 1.299 0.710 13 HD12 ILE 2 HD12 ILE 2 3.246 1.609 1.930 14 HD13 ILE 2 HD13 ILE 2 3.005 2.752 0.609 15 H GLY 3 H GLY 3 3.483 -0.669 -3.790 16 HA2 GLY 3 HA2 GLY 3 2.970 1.212 -5.905 17 HA3 GLY 3 HA3 GLY 3 3.704 -0.376 -6.074 18 H ALA 4 H ALA 4 1.209 -1.353 -4.502 19 HA ALA 4 HA ALA 4 -0.275 -2.089 -6.846 20 HB1 ALA 4 HB1 ALA 4 -0.097 -2.957 -4.092 21 HB2 ALA 4 HB2 ALA 4 -1.771 -2.871 -4.643 22 HB3 ALA 4 HB3 ALA 4 -0.601 -3.851 -5.527 23 H VAL 5 H VAL 5 -0.464 0.423 -4.518 24 HA VAL 5 HA VAL 5 -3.161 0.998 -4.375 25 HB VAL 5 HB VAL 5 -1.366 2.194 -3.125 26 HG11 VAL 5 HG11 VAL 5 -0.037 3.849 -4.083 27 HG12 VAL 5 HG12 VAL 5 -0.019 2.561 -5.289 28 HG13 VAL 5 HG13 VAL 5 -1.055 3.970 -5.518 29 HG21 VAL 5 HG21 VAL 5 -2.485 4.383 -3.145 30 HG22 VAL 5 HG22 VAL 5 -3.323 3.930 -4.629 31 HG23 VAL 5 HG23 VAL 5 -3.639 3.050 -3.134 32 H LEU 6 H LEU 6 -0.853 1.825 -6.918 33 HA LEU 6 HA LEU 6 -2.756 3.358 -8.425 34 HB2 LEU 6 HB2 LEU 6 -0.993 3.254 -10.202 35 HB3 LEU 6 HB3 LEU 6 -0.487 3.964 -8.671 36 HG LEU 6 HG LEU 6 0.099 1.134 -8.756 37 HD11 LEU 6 HD11 LEU 6 0.452 1.116 -11.023 38 HD12 LEU 6 HD12 LEU 6 2.039 1.618 -10.441 39 HD13 LEU 6 HD13 LEU 6 0.913 2.817 -11.076 40 HD21 LEU 6 HD21 LEU 6 1.298 2.264 -7.177 41 HD22 LEU 6 HD22 LEU 6 1.470 3.707 -8.177 42 HD23 LEU 6 HD23 LEU 6 2.463 2.285 -8.501 43 H LYS 7 H LYS 7 -1.655 0.045 -8.362 44 HA LYS 7 HA LYS 7 -2.736 -0.728 -10.875 45 HB2 LYS 7 HB2 LYS 7 -1.755 -2.187 -8.451 46 HB3 LYS 7 HB3 LYS 7 -2.633 -3.070 -9.693 47 HG2 LYS 7 HG2 LYS 7 -0.567 -3.373 -10.528 48 HG3 LYS 7 HG3 LYS 7 -0.858 -1.782 -11.235 49 HD2 LYS 7 HD2 LYS 7 0.279 -0.736 -9.330 50 HD3 LYS 7 HD3 LYS 7 0.578 -2.331 -8.636 51 HE2 LYS 7 HE2 LYS 7 1.471 -1.916 -11.422 52 HE3 LYS 7 HE3 LYS 7 2.350 -1.028 -10.178 53 HZ1 LYS 7 HZ1 LYS 7 1.953 -3.714 -9.378 54 HZ2 LYS 7 HZ2 LYS 7 3.403 -2.870 -9.593 55 HZ3 LYS 7 HZ3 LYS 7 2.691 -3.672 -10.901 56 H VAL 8 H VAL 8 -3.896 -1.167 -7.534 57 HA VAL 8 HA VAL 8 -6.266 -2.475 -8.033 58 HB VAL 8 HB VAL 8 -7.137 -1.449 -5.955 59 HG11 VAL 8 HG11 VAL 8 -5.777 -3.396 -5.726 60 HG12 VAL 8 HG12 VAL 8 -4.297 -2.453 -5.910 61 HG13 VAL 8 HG13 VAL 8 -5.294 -2.259 -4.468 62 HG21 VAL 8 HG21 VAL 8 -4.552 0.092 -5.867 63 HG22 VAL 8 HG22 VAL 8 -6.086 0.793 -6.382 64 HG23 VAL 8 HG23 VAL 8 -5.903 0.183 -4.737 65 H LEU 9 H LEU 9 -5.456 0.847 -8.630 66 HA LEU 9 HA LEU 9 -7.938 2.062 -8.711 67 HB2 LEU 9 HB2 LEU 9 -5.699 2.543 -10.668 68 HB3 LEU 9 HB3 LEU 9 -6.976 3.671 -10.217 69 HG LEU 9 HG LEU 9 -4.638 2.765 -8.550 70 HD11 LEU 9 HD11 LEU 9 -4.149 4.540 -10.122 71 HD12 LEU 9 HD12 LEU 9 -4.167 5.177 -8.478 72 HD13 LEU 9 HD13 LEU 9 -5.539 5.464 -9.549 73 HD21 LEU 9 HD21 LEU 9 -5.605 4.287 -6.808 74 HD22 LEU 9 HD22 LEU 9 -6.490 2.781 -7.056 75 HD23 LEU 9 HD23 LEU 9 -7.105 4.288 -7.736 76 H THR 10 H THR 10 -6.407 -0.036 -11.076 77 HA THR 10 HA THR 10 -8.599 0.323 -12.960 78 HB THR 10 HB THR 10 -6.187 -1.486 -13.186 79 HG1 THR 10 HG1 THR 10 -5.153 0.186 -14.049 80 HG21 THR 10 HG21 THR 10 -6.751 -1.308 -15.643 81 HG22 THR 10 HG22 THR 10 -8.291 -0.600 -15.154 82 HG23 THR 10 HG23 THR 10 -7.884 -2.245 -14.670 83 H THR 11 H THR 11 -7.342 -2.059 -10.715 84 HA THR 11 HA THR 11 -8.949 -4.232 -11.576 85 HB THR 11 HB THR 11 -7.789 -3.787 -8.819 86 HG1 THR 11 HG1 THR 11 -6.070 -5.148 -9.739 87 HG21 THR 11 HG21 THR 11 -7.702 -6.464 -9.324 88 HG22 THR 11 HG22 THR 11 -9.202 -6.004 -10.129 89 HG23 THR 11 HG23 THR 11 -8.979 -5.657 -8.415 90 H GLY 12 H GLY 12 -9.586 -1.441 -9.659 91 HA2 GLY 12 HA2 GLY 12 -11.807 -2.498 -8.198 92 HA3 GLY 12 HA3 GLY 12 -11.395 -0.800 -8.382 93 H LEU 13 H LEU 13 -11.405 -1.307 -11.401 94 HA LEU 13 HA LEU 13 -14.015 -0.359 -11.883 95 HB2 LEU 13 HB2 LEU 13 -12.617 0.302 -13.546 96 HB3 LEU 13 HB3 LEU 13 -11.705 -1.206 -13.526 97 HG LEU 13 HG LEU 13 -13.543 -2.299 -14.761 98 HD11 LEU 13 HD11 LEU 13 -15.516 -1.231 -14.382 99 HD12 LEU 13 HD12 LEU 13 -15.073 -0.468 -15.909 100 HD13 LEU 13 HD13 LEU 13 -14.781 0.372 -14.386 101 HD21 LEU 13 HD21 LEU 13 -13.252 -0.564 -16.816 102 HD22 LEU 13 HD22 LEU 13 -12.035 -1.748 -16.336 103 HD23 LEU 13 HD23 LEU 13 -11.909 -0.078 -15.782 104 HA PRO 14 HA PRO 14 -14.959 -4.763 -13.635 105 HB2 PRO 14 HB2 PRO 14 -13.155 -6.722 -13.111 106 HB3 PRO 14 HB3 PRO 14 -13.071 -5.699 -14.549 107 HG2 PRO 14 HG2 PRO 14 -11.557 -5.477 -11.976 108 HG3 PRO 14 HG3 PRO 14 -10.970 -5.292 -13.640 109 HD2 PRO 14 HD2 PRO 14 -11.531 -3.174 -12.048 110 HD3 PRO 14 HD3 PRO 14 -11.754 -3.131 -13.809 111 H ALA 15 H ALA 15 -13.353 -4.405 -10.549 112 HA ALA 15 HA ALA 15 -14.824 -6.559 -9.302 113 HB1 ALA 15 HB1 ALA 15 -13.469 -6.277 -7.487 114 HB2 ALA 15 HB2 ALA 15 -12.434 -5.588 -8.739 115 HB3 ALA 15 HB3 ALA 15 -13.374 -4.527 -7.690 116 H LEU 16 H LEU 16 -15.131 -3.123 -9.707 117 HA LEU 16 HA LEU 16 -16.852 -2.530 -7.578 118 HB2 LEU 16 HB2 LEU 16 -15.859 -0.741 -8.765 119 HB3 LEU 16 HB3 LEU 16 -16.507 -1.309 -10.302 120 HG LEU 16 HG LEU 16 -18.610 -0.678 -8.403 121 HD11 LEU 16 HD11 LEU 16 -18.182 1.845 -8.752 122 HD12 LEU 16 HD12 LEU 16 -16.500 1.366 -8.972 123 HD13 LEU 16 HD13 LEU 16 -17.328 1.006 -7.458 124 HD21 LEU 16 HD21 LEU 16 -19.187 0.854 -10.400 125 HD22 LEU 16 HD22 LEU 16 -19.247 -0.894 -10.625 126 HD23 LEU 16 HD23 LEU 16 -17.862 0.025 -11.216 127 H ILE 17 H ILE 17 -17.725 -3.086 -10.995 128 HA ILE 17 HA ILE 17 -20.502 -3.323 -10.437 129 HB ILE 17 HB ILE 17 -20.809 -3.840 -12.714 130 HG12 ILE 17 HG12 ILE 17 -19.098 -5.704 -12.704 131 HG13 ILE 17 HG13 ILE 17 -19.158 -4.745 -14.179 132 HG21 ILE 17 HG21 ILE 17 -20.037 -1.571 -12.359 133 HG22 ILE 17 HG22 ILE 17 -18.360 -2.098 -12.484 134 HG23 ILE 17 HG23 ILE 17 -19.418 -2.185 -13.891 135 HD11 ILE 17 HD11 ILE 17 -17.214 -3.456 -13.360 136 HD12 ILE 17 HD12 ILE 17 -17.124 -4.543 -11.974 137 HD13 ILE 17 HD13 ILE 17 -16.875 -5.170 -13.603 138 H SER 18 H SER 18 -17.848 -5.576 -10.558 139 HA SER 18 HA SER 18 -19.273 -7.970 -10.869 140 HB2 SER 18 HB2 SER 18 -16.910 -8.061 -11.110 141 HB3 SER 18 HB3 SER 18 -16.645 -7.340 -9.523 142 HG SER 18 HG SER 18 -18.076 -9.730 -9.631 143 H TRP 19 H TRP 19 -18.613 -6.000 -8.039 144 HA TRP 19 HA TRP 19 -19.400 -7.836 -6.065 145 HB2 TRP 19 HB2 TRP 19 -18.207 -5.579 -5.781 146 HB3 TRP 19 HB3 TRP 19 -19.814 -4.860 -5.846 147 HD1 TRP 19 HD1 TRP 19 -17.423 -6.502 -3.496 148 HE1 TRP 19 HE1 TRP 19 -18.516 -6.782 -1.183 149 HE3 TRP 19 HE3 TRP 19 -22.258 -5.403 -4.745 150 HZ2 TRP 19 HZ2 TRP 19 -21.088 -6.566 -0.039 151 HZ3 TRP 19 HZ3 TRP 19 -23.973 -5.463 -2.982 152 HH2 TRP 19 HH2 TRP 19 -23.399 -6.033 -0.679 153 H ILE 20 H ILE 20 -21.256 -5.270 -7.692 154 HA ILE 20 HA ILE 20 -23.711 -5.961 -6.412 155 HB ILE 20 HB ILE 20 -23.350 -3.700 -7.239 156 HG12 ILE 20 HG12 ILE 20 -25.482 -3.423 -8.499 157 HG13 ILE 20 HG13 ILE 20 -25.563 -5.172 -8.687 158 HG21 ILE 20 HG21 ILE 20 -23.339 -3.223 -9.647 159 HG22 ILE 20 HG22 ILE 20 -21.959 -4.208 -9.163 160 HG23 ILE 20 HG23 ILE 20 -23.331 -4.954 -9.982 161 HD11 ILE 20 HD11 ILE 20 -25.212 -4.639 -5.939 162 HD12 ILE 20 HD12 ILE 20 -26.476 -3.563 -6.536 163 HD13 ILE 20 HD13 ILE 20 -26.624 -5.306 -6.758 164 H LYS 21 H LYS 21 -22.144 -6.855 -9.414 165 HA LYS 21 HA LYS 21 -24.321 -7.979 -10.761 166 HB2 LYS 21 HB2 LYS 21 -21.362 -8.348 -10.863 167 HB3 LYS 21 HB3 LYS 21 -22.374 -9.521 -11.695 168 HG2 LYS 21 HG2 LYS 21 -23.283 -7.871 -13.120 169 HG3 LYS 21 HG3 LYS 21 -22.615 -6.561 -12.144 170 HD2 LYS 21 HD2 LYS 21 -20.332 -7.396 -12.728 171 HD3 LYS 21 HD3 LYS 21 -21.092 -8.539 -13.837 172 HE2 LYS 21 HE2 LYS 21 -21.603 -5.583 -13.996 173 HE3 LYS 21 HE3 LYS 21 -20.233 -6.337 -14.810 174 HZ1 LYS 21 HZ1 LYS 21 -22.500 -7.837 -15.417 175 HZ2 LYS 21 HZ2 LYS 21 -21.583 -6.872 -16.461 176 HZ3 LYS 21 HZ3 LYS 21 -22.911 -6.212 -15.647 177 H ARG 22 H ARG 22 -21.871 -9.621 -8.751 178 HA ARG 22 HA ARG 22 -22.983 -12.165 -8.811 179 HB2 ARG 22 HB2 ARG 22 -21.712 -12.606 -6.765 180 HB3 ARG 22 HB3 ARG 22 -20.749 -11.702 -7.926 181 HG2 ARG 22 HG2 ARG 22 -20.887 -9.730 -6.682 182 HG3 ARG 22 HG3 ARG 22 -22.245 -10.326 -5.725 183 HD2 ARG 22 HD2 ARG 22 -20.621 -10.692 -4.194 184 HD3 ARG 22 HD3 ARG 22 -20.419 -12.186 -5.107 185 HE ARG 22 HE ARG 22 -18.820 -10.031 -6.113 186 HH11 ARG 22 HH11 ARG 22 -18.999 -12.566 -3.733 187 HH12 ARG 22 HH12 ARG 22 -17.281 -12.695 -3.551 188 HH21 ARG 22 HH21 ARG 22 -16.556 -10.192 -5.882 189 HH22 ARG 22 HH22 ARG 22 -15.893 -11.344 -4.773 190 H LYS 23 H LYS 23 -23.938 -9.350 -7.017 191 HA LYS 23 HA LYS 23 -25.407 -10.504 -4.949 192 HB2 LYS 23 HB2 LYS 23 -24.838 -8.022 -5.408 193 HB3 LYS 23 HB3 LYS 23 -26.311 -8.012 -6.369 194 HG2 LYS 23 HG2 LYS 23 -27.433 -8.958 -4.248 195 HG3 LYS 23 HG3 LYS 23 -25.987 -8.376 -3.419 196 HD2 LYS 23 HD2 LYS 23 -26.642 -6.214 -4.932 197 HD3 LYS 23 HD3 LYS 23 -28.237 -6.882 -4.577 198 HE2 LYS 23 HE2 LYS 23 -26.174 -6.443 -2.437 199 HE3 LYS 23 HE3 LYS 23 -27.286 -5.170 -2.939 200 HZ1 LYS 23 HZ1 LYS 23 -28.864 -7.374 -2.520 201 HZ2 LYS 23 HZ2 LYS 23 -28.715 -6.034 -1.499 202 HZ3 LYS 23 HZ3 LYS 23 -27.758 -7.404 -1.240 203 H ARG 24 H ARG 24 -26.588 -9.398 -8.128 204 HA ARG 24 HA ARG 24 -28.949 -11.112 -7.752 205 HB2 ARG 24 HB2 ARG 24 -28.745 -8.976 -9.850 206 HB3 ARG 24 HB3 ARG 24 -30.184 -9.665 -9.111 207 HG2 ARG 24 HG2 ARG 24 -28.852 -8.522 -6.983 208 HG3 ARG 24 HG3 ARG 24 -28.589 -7.384 -8.305 209 HD2 ARG 24 HD2 ARG 24 -31.325 -8.479 -7.864 210 HD3 ARG 24 HD3 ARG 24 -30.724 -7.226 -6.778 211 HE ARG 24 HE ARG 24 -30.405 -6.584 -9.559 212 HH11 ARG 24 HH11 ARG 24 -32.577 -6.510 -6.839 213 HH12 ARG 24 HH12 ARG 24 -33.517 -5.193 -7.459 214 HH21 ARG 24 HH21 ARG 24 -31.634 -4.849 -10.385 215 HH22 ARG 24 HH22 ARG 24 -32.980 -4.250 -9.477 216 H GLN 25 H GLN 25 -27.138 -9.842 -10.551 217 HA GLN 25 HA GLN 25 -27.758 -12.010 -12.230 218 HB2 GLN 25 HB2 GLN 25 -26.561 -9.558 -12.555 219 HB3 GLN 25 HB3 GLN 25 -25.221 -10.666 -12.819 220 HG2 GLN 25 HG2 GLN 25 -26.744 -11.878 -14.448 221 HG3 GLN 25 HG3 GLN 25 -27.802 -10.472 -14.333 222 HE21 GLN 25 HE21 GLN 25 -27.484 -10.055 -16.541 223 HE22 GLN 25 HE22 GLN 25 -26.023 -9.338 -17.122 224 H GLN 26 H GLN 26 -25.970 -13.366 -13.287 225 HA GLN 26 HA GLN 26 -24.864 -15.051 -11.289 226 HB2 GLN 26 HB2 GLN 26 -25.594 -15.950 -13.429 227 HB3 GLN 26 HB3 GLN 26 -24.401 -14.973 -14.275 228 HG2 GLN 26 HG2 GLN 26 -23.684 -17.285 -14.095 229 HG3 GLN 26 HG3 GLN 26 -22.603 -16.211 -13.209 230 HE21 GLN 26 HE21 GLN 26 -21.875 -17.968 -11.971 231 HE22 GLN 26 HE22 GLN 26 -22.830 -18.626 -10.691 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.154 -2.089 0.178 2 HA2 GLY 1 HA2 GLY 1 1.226 -2.997 -0.451 3 HA3 GLY 1 HA3 GLY 1 0.390 -3.387 -1.947 4 H ILE 2 H ILE 2 2.586 -1.418 -1.101 5 HA ILE 2 HA ILE 2 1.577 1.196 -1.477 6 HB ILE 2 HB ILE 2 4.372 0.188 -2.020 7 HG12 ILE 2 HG12 ILE 2 3.633 -0.301 0.274 8 HG13 ILE 2 HG13 ILE 2 4.882 0.939 0.256 9 HG21 ILE 2 HG21 ILE 2 4.496 2.255 -2.934 10 HG22 ILE 2 HG22 ILE 2 3.119 2.863 -2.017 11 HG23 ILE 2 HG23 ILE 2 4.700 2.730 -1.248 12 HD11 ILE 2 HD11 ILE 2 3.132 1.476 1.845 13 HD12 ILE 2 HD12 ILE 2 3.172 2.658 0.536 14 HD13 ILE 2 HD13 ILE 2 1.926 1.411 0.560 15 H GLY 3 H GLY 3 3.117 -1.104 -3.711 16 HA2 GLY 3 HA2 GLY 3 2.825 0.657 -5.968 17 HA3 GLY 3 HA3 GLY 3 3.362 -1.016 -6.011 18 H ALA 4 H ALA 4 0.774 -1.561 -4.379 19 HA ALA 4 HA ALA 4 -0.798 -2.291 -6.667 20 HB1 ALA 4 HB1 ALA 4 -1.330 -3.893 -5.219 21 HB2 ALA 4 HB2 ALA 4 -0.715 -2.960 -3.854 22 HB3 ALA 4 HB3 ALA 4 -2.368 -2.713 -4.417 23 H VAL 5 H VAL 5 -0.672 0.397 -4.541 24 HA VAL 5 HA VAL 5 -3.281 1.303 -4.458 25 HB VAL 5 HB VAL 5 -1.349 2.364 -3.291 26 HG11 VAL 5 HG11 VAL 5 0.014 2.403 -5.483 27 HG12 VAL 5 HG12 VAL 5 -0.832 3.919 -5.798 28 HG13 VAL 5 HG13 VAL 5 0.176 3.753 -4.360 29 HG21 VAL 5 HG21 VAL 5 -2.882 4.382 -4.913 30 HG22 VAL 5 HG22 VAL 5 -3.619 3.436 -3.619 31 HG23 VAL 5 HG23 VAL 5 -2.288 4.535 -3.259 32 H LEU 6 H LEU 6 -0.895 1.650 -7.041 33 HA LEU 6 HA LEU 6 -2.603 3.283 -8.672 34 HB2 LEU 6 HB2 LEU 6 -0.870 2.835 -10.424 35 HB3 LEU 6 HB3 LEU 6 -0.276 3.589 -8.946 36 HG LEU 6 HG LEU 6 -0.041 0.709 -8.820 37 HD11 LEU 6 HD11 LEU 6 0.311 0.470 -11.070 38 HD12 LEU 6 HD12 LEU 6 1.946 0.847 -10.527 39 HD13 LEU 6 HD13 LEU 6 0.949 2.103 -11.259 40 HD21 LEU 6 HD21 LEU 6 1.630 3.132 -8.416 41 HD22 LEU 6 HD22 LEU 6 2.450 1.587 -8.643 42 HD23 LEU 6 HD23 LEU 6 1.298 1.789 -7.323 43 H LYS 7 H LYS 7 -1.904 -0.126 -8.357 44 HA LYS 7 HA LYS 7 -3.078 -0.951 -10.809 45 HB2 LYS 7 HB2 LYS 7 -2.272 -2.328 -8.276 46 HB3 LYS 7 HB3 LYS 7 -3.254 -3.192 -9.452 47 HG2 LYS 7 HG2 LYS 7 -1.245 -3.804 -10.253 48 HG3 LYS 7 HG3 LYS 7 -1.341 -2.245 -11.076 49 HD2 LYS 7 HD2 LYS 7 -0.071 -1.207 -9.262 50 HD3 LYS 7 HD3 LYS 7 0.016 -2.762 -8.430 51 HE2 LYS 7 HE2 LYS 7 1.035 -2.435 -11.232 52 HE3 LYS 7 HE3 LYS 7 2.032 -2.006 -9.843 53 HZ1 LYS 7 HZ1 LYS 7 0.882 -4.555 -9.451 54 HZ2 LYS 7 HZ2 LYS 7 2.517 -4.129 -9.532 55 HZ3 LYS 7 HZ3 LYS 7 1.674 -4.521 -10.946 56 H VAL 8 H VAL 8 -4.274 -0.989 -7.454 57 HA VAL 8 HA VAL 8 -6.786 -2.038 -7.870 58 HB VAL 8 HB VAL 8 -7.523 -0.765 -5.879 59 HG11 VAL 8 HG11 VAL 8 -5.730 -1.646 -4.334 60 HG12 VAL 8 HG12 VAL 8 -6.429 -2.821 -5.449 61 HG13 VAL 8 HG13 VAL 8 -4.841 -2.126 -5.779 62 HG21 VAL 8 HG21 VAL 8 -6.209 1.296 -6.475 63 HG22 VAL 8 HG22 VAL 8 -6.114 0.805 -4.784 64 HG23 VAL 8 HG23 VAL 8 -4.773 0.463 -5.878 65 H LEU 9 H LEU 9 -5.580 1.098 -8.725 66 HA LEU 9 HA LEU 9 -7.902 2.595 -8.910 67 HB2 LEU 9 HB2 LEU 9 -5.618 2.662 -10.873 68 HB3 LEU 9 HB3 LEU 9 -6.753 3.963 -10.521 69 HG LEU 9 HG LEU 9 -4.543 2.913 -8.765 70 HD11 LEU 9 HD11 LEU 9 -3.823 5.280 -8.855 71 HD12 LEU 9 HD12 LEU 9 -5.114 5.596 -10.014 72 HD13 LEU 9 HD13 LEU 9 -3.808 4.486 -10.430 73 HD21 LEU 9 HD21 LEU 9 -6.378 3.260 -7.295 74 HD22 LEU 9 HD22 LEU 9 -6.819 4.769 -8.095 75 HD23 LEU 9 HD23 LEU 9 -5.329 4.671 -7.154 76 H THR 10 H THR 10 -6.507 0.348 -11.269 77 HA THR 10 HA THR 10 -8.792 0.717 -13.042 78 HB THR 10 HB THR 10 -6.656 0.607 -14.147 79 HG1 THR 10 HG1 THR 10 -8.301 -0.406 -15.300 80 HG21 THR 10 HG21 THR 10 -6.323 -2.045 -12.744 81 HG22 THR 10 HG22 THR 10 -5.349 -0.592 -12.517 82 HG23 THR 10 HG23 THR 10 -5.283 -1.470 -14.046 83 H THR 11 H THR 11 -7.436 -1.640 -10.841 84 HA THR 11 HA THR 11 -9.019 -3.850 -11.633 85 HB THR 11 HB THR 11 -7.939 -3.400 -8.852 86 HG1 THR 11 HG1 THR 11 -5.972 -3.815 -9.583 87 HG21 THR 11 HG21 THR 11 -9.053 -5.665 -10.357 88 HG22 THR 11 HG22 THR 11 -8.955 -5.398 -8.616 89 HG23 THR 11 HG23 THR 11 -7.557 -6.019 -9.494 90 H GLY 12 H GLY 12 -9.698 -1.031 -9.779 91 HA2 GLY 12 HA2 GLY 12 -11.870 -2.098 -8.254 92 HA3 GLY 12 HA3 GLY 12 -11.508 -0.396 -8.500 93 H LEU 13 H LEU 13 -11.548 -0.979 -11.497 94 HA LEU 13 HA LEU 13 -14.195 -0.133 -11.965 95 HB2 LEU 13 HB2 LEU 13 -12.844 0.533 -13.664 96 HB3 LEU 13 HB3 LEU 13 -11.880 -0.942 -13.619 97 HG LEU 13 HG LEU 13 -13.695 -2.128 -14.800 98 HD11 LEU 13 HD11 LEU 13 -15.244 -0.234 -15.962 99 HD12 LEU 13 HD12 LEU 13 -15.061 0.428 -14.338 100 HD13 LEU 13 HD13 LEU 13 -15.720 -1.192 -14.560 101 HD21 LEU 13 HD21 LEU 13 -12.032 -1.439 -16.251 102 HD22 LEU 13 HD22 LEU 13 -12.372 0.273 -15.996 103 HD23 LEU 13 HD23 LEU 13 -13.471 -0.711 -16.963 104 HA PRO 14 HA PRO 14 -15.014 -4.609 -13.594 105 HB2 PRO 14 HB2 PRO 14 -13.136 -6.492 -13.049 106 HB3 PRO 14 HB3 PRO 14 -13.107 -5.503 -14.513 107 HG2 PRO 14 HG2 PRO 14 -11.566 -5.167 -11.969 108 HG3 PRO 14 HG3 PRO 14 -11.009 -5.003 -13.645 109 HD2 PRO 14 HD2 PRO 14 -11.619 -2.866 -12.098 110 HD3 PRO 14 HD3 PRO 14 -11.868 -2.875 -13.855 111 H ALA 15 H ALA 15 -13.375 -4.123 -10.542 112 HA ALA 15 HA ALA 15 -14.754 -6.293 -9.221 113 HB1 ALA 15 HB1 ALA 15 -12.391 -5.200 -8.722 114 HB2 ALA 15 HB2 ALA 15 -13.368 -4.184 -7.661 115 HB3 ALA 15 HB3 ALA 15 -13.369 -5.935 -7.451 116 H LEU 16 H LEU 16 -15.187 -2.881 -9.708 117 HA LEU 16 HA LEU 16 -16.899 -2.296 -7.567 118 HB2 LEU 16 HB2 LEU 16 -15.983 -0.503 -8.809 119 HB3 LEU 16 HB3 LEU 16 -16.630 -1.129 -10.324 120 HG LEU 16 HG LEU 16 -18.729 -0.525 -8.413 121 HD11 LEU 16 HD11 LEU 16 -18.439 1.977 -8.728 122 HD12 LEU 16 HD12 LEU 16 -16.760 1.625 -9.137 123 HD13 LEU 16 HD13 LEU 16 -17.388 1.199 -7.545 124 HD21 LEU 16 HD21 LEU 16 -19.401 -0.807 -10.611 125 HD22 LEU 16 HD22 LEU 16 -18.041 0.114 -11.254 126 HD23 LEU 16 HD23 LEU 16 -19.368 0.949 -10.446 127 H ILE 17 H ILE 17 -17.796 -2.961 -10.959 128 HA ILE 17 HA ILE 17 -20.556 -3.282 -10.355 129 HB ILE 17 HB ILE 17 -20.877 -3.854 -12.616 130 HG12 ILE 17 HG12 ILE 17 -19.105 -5.661 -12.593 131 HG13 ILE 17 HG13 ILE 17 -19.218 -4.736 -14.086 132 HG21 ILE 17 HG21 ILE 17 -20.176 -1.555 -12.320 133 HG22 ILE 17 HG22 ILE 17 -18.484 -2.029 -12.458 134 HG23 ILE 17 HG23 ILE 17 -19.558 -2.181 -13.848 135 HD11 ILE 17 HD11 ILE 17 -17.162 -4.417 -11.916 136 HD12 ILE 17 HD12 ILE 17 -16.914 -5.073 -13.534 137 HD13 ILE 17 HD13 ILE 17 -17.307 -3.366 -13.324 138 H SER 18 H SER 18 -17.827 -5.444 -10.473 139 HA SER 18 HA SER 18 -19.134 -7.896 -10.734 140 HB2 SER 18 HB2 SER 18 -16.775 -7.916 -10.915 141 HB3 SER 18 HB3 SER 18 -16.567 -7.106 -9.363 142 HG SER 18 HG SER 18 -16.139 -9.331 -9.186 143 H TRP 19 H TRP 19 -18.637 -5.843 -7.929 144 HA TRP 19 HA TRP 19 -19.334 -7.631 -5.907 145 HB2 TRP 19 HB2 TRP 19 -18.376 -5.408 -5.476 146 HB3 TRP 19 HB3 TRP 19 -19.867 -4.654 -6.035 147 HD1 TRP 19 HD1 TRP 19 -22.121 -5.282 -4.482 148 HE1 TRP 19 HE1 TRP 19 -22.270 -5.520 -1.924 149 HE3 TRP 19 HE3 TRP 19 -17.171 -6.032 -3.449 150 HZ2 TRP 19 HZ2 TRP 19 -20.520 -5.967 0.246 151 HZ3 TRP 19 HZ3 TRP 19 -16.491 -6.356 -1.106 152 HH2 TRP 19 HH2 TRP 19 -18.132 -6.323 0.701 153 H ILE 20 H ILE 20 -21.431 -5.300 -7.608 154 HA ILE 20 HA ILE 20 -23.819 -6.306 -6.411 155 HB ILE 20 HB ILE 20 -23.701 -4.000 -7.192 156 HG12 ILE 20 HG12 ILE 20 -25.696 -5.355 -8.984 157 HG13 ILE 20 HG13 ILE 20 -25.861 -5.446 -7.234 158 HG21 ILE 20 HG21 ILE 20 -23.682 -3.468 -9.577 159 HG22 ILE 20 HG22 ILE 20 -22.224 -4.337 -9.102 160 HG23 ILE 20 HG23 ILE 20 -23.512 -5.181 -9.960 161 HD11 ILE 20 HD11 ILE 20 -27.174 -3.639 -7.730 162 HD12 ILE 20 HD12 ILE 20 -25.636 -2.853 -7.371 163 HD13 ILE 20 HD13 ILE 20 -26.129 -3.102 -9.045 164 H LYS 21 H LYS 21 -22.092 -6.923 -9.399 165 HA LYS 21 HA LYS 21 -24.031 -8.232 -10.880 166 HB2 LYS 21 HB2 LYS 21 -21.054 -8.443 -10.718 167 HB3 LYS 21 HB3 LYS 21 -21.935 -9.634 -11.667 168 HG2 LYS 21 HG2 LYS 21 -22.884 -7.887 -13.043 169 HG3 LYS 21 HG3 LYS 21 -22.105 -6.651 -12.052 170 HD2 LYS 21 HD2 LYS 21 -19.913 -7.487 -12.706 171 HD3 LYS 21 HD3 LYS 21 -20.669 -8.767 -13.657 172 HE2 LYS 21 HE2 LYS 21 -21.113 -5.827 -14.146 173 HE3 LYS 21 HE3 LYS 21 -19.886 -6.782 -14.976 174 HZ1 LYS 21 HZ1 LYS 21 -21.454 -7.290 -16.439 175 HZ2 LYS 21 HZ2 LYS 21 -22.677 -6.605 -15.492 176 HZ3 LYS 21 HZ3 LYS 21 -22.214 -8.213 -15.242 177 H ARG 22 H ARG 22 -21.635 -9.757 -8.716 178 HA ARG 22 HA ARG 22 -22.618 -12.351 -8.858 179 HB2 ARG 22 HB2 ARG 22 -21.456 -12.740 -6.727 180 HB3 ARG 22 HB3 ARG 22 -20.464 -11.817 -7.848 181 HG2 ARG 22 HG2 ARG 22 -20.697 -9.850 -6.631 182 HG3 ARG 22 HG3 ARG 22 -22.122 -10.441 -5.772 183 HD2 ARG 22 HD2 ARG 22 -19.523 -11.867 -5.443 184 HD3 ARG 22 HD3 ARG 22 -19.781 -10.346 -4.590 185 HE ARG 22 HE ARG 22 -21.997 -11.754 -3.978 186 HH11 ARG 22 HH11 ARG 22 -18.599 -12.500 -3.827 187 HH12 ARG 22 HH12 ARG 22 -18.763 -13.578 -2.480 188 HH21 ARG 22 HH21 ARG 22 -22.225 -13.170 -2.205 189 HH22 ARG 22 HH22 ARG 22 -20.825 -13.959 -1.559 190 H LYS 23 H LYS 23 -23.817 -9.601 -7.117 191 HA LYS 23 HA LYS 23 -25.375 -10.920 -5.180 192 HB2 LYS 23 HB2 LYS 23 -24.766 -8.377 -5.515 193 HB3 LYS 23 HB3 LYS 23 -26.289 -8.345 -6.395 194 HG2 LYS 23 HG2 LYS 23 -27.537 -8.863 -4.500 195 HG3 LYS 23 HG3 LYS 23 -26.131 -9.476 -3.627 196 HD2 LYS 23 HD2 LYS 23 -26.696 -7.349 -2.697 197 HD3 LYS 23 HD3 LYS 23 -25.215 -7.147 -3.635 198 HE2 LYS 23 HE2 LYS 23 -26.794 -6.467 -5.558 199 HE3 LYS 23 HE3 LYS 23 -28.003 -6.260 -4.291 200 HZ1 LYS 23 HZ1 LYS 23 -25.370 -4.984 -4.001 201 HZ2 LYS 23 HZ2 LYS 23 -26.865 -4.511 -3.367 202 HZ3 LYS 23 HZ3 LYS 23 -26.529 -4.272 -5.008 203 H ARG 24 H ARG 24 -26.395 -9.480 -8.283 204 HA ARG 24 HA ARG 24 -28.767 -11.215 -8.217 205 HB2 ARG 24 HB2 ARG 24 -28.407 -8.930 -10.128 206 HB3 ARG 24 HB3 ARG 24 -29.896 -9.647 -9.529 207 HG2 ARG 24 HG2 ARG 24 -28.694 -8.691 -7.244 208 HG3 ARG 24 HG3 ARG 24 -28.315 -7.465 -8.455 209 HD2 ARG 24 HD2 ARG 24 -30.654 -7.223 -9.001 210 HD3 ARG 24 HD3 ARG 24 -31.077 -8.545 -7.914 211 HE ARG 24 HE ARG 24 -29.771 -6.688 -6.359 212 HH11 ARG 24 HH11 ARG 24 -32.619 -6.755 -8.361 213 HH12 ARG 24 HH12 ARG 24 -33.460 -5.560 -7.430 214 HH21 ARG 24 HH21 ARG 24 -30.868 -5.114 -5.126 215 HH22 ARG 24 HH22 ARG 24 -32.463 -4.627 -5.590 216 H GLN 25 H GLN 25 -26.773 -9.757 -10.791 217 HA GLN 25 HA GLN 25 -27.307 -11.717 -12.704 218 HB2 GLN 25 HB2 GLN 25 -25.954 -9.341 -12.685 219 HB3 GLN 25 HB3 GLN 25 -24.639 -10.492 -12.880 220 HG2 GLN 25 HG2 GLN 25 -26.128 -11.491 -14.751 221 HG3 GLN 25 HG3 GLN 25 -26.941 -9.927 -14.693 222 HE21 GLN 25 HE21 GLN 25 -23.637 -11.229 -14.744 223 HE22 GLN 25 HE22 GLN 25 -23.022 -10.084 -15.882 224 H GLN 26 H GLN 26 -25.324 -12.956 -13.747 225 HA GLN 26 HA GLN 26 -24.480 -14.850 -11.722 226 HB2 GLN 26 HB2 GLN 26 -25.331 -15.211 -14.250 227 HB3 GLN 26 HB3 GLN 26 -23.595 -15.174 -14.531 228 HG2 GLN 26 HG2 GLN 26 -23.223 -17.056 -13.192 229 HG3 GLN 26 HG3 GLN 26 -24.816 -16.944 -12.445 230 HE21 GLN 26 HE21 GLN 26 -25.313 -19.068 -12.976 231 HE22 GLN 26 HE22 GLN 26 -25.688 -19.549 -14.592 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.591 -4.247 -1.274 2 HA2 GLY 1 HA2 GLY 1 -0.019 -3.335 -1.645 3 HA3 GLY 1 HA3 GLY 1 0.968 -3.007 -0.228 4 H ILE 2 H ILE 2 2.850 -1.342 -0.914 5 HA ILE 2 HA ILE 2 1.594 1.132 -1.207 6 HB ILE 2 HB ILE 2 4.492 0.481 -1.758 7 HG12 ILE 2 HG12 ILE 2 3.802 -0.240 0.477 8 HG13 ILE 2 HG13 ILE 2 4.864 1.159 0.580 9 HG21 ILE 2 HG21 ILE 2 4.581 2.609 -2.423 10 HG22 ILE 2 HG22 ILE 2 2.962 2.953 -1.814 11 HG23 ILE 2 HG23 ILE 2 4.348 3.029 -0.726 12 HD11 ILE 2 HD11 ILE 2 3.344 2.098 1.882 13 HD12 ILE 2 HD12 ILE 2 2.292 2.213 0.471 14 HD13 ILE 2 HD13 ILE 2 2.180 0.818 1.545 15 H GLY 3 H GLY 3 3.425 -0.775 -3.588 16 HA2 GLY 3 HA2 GLY 3 2.948 1.121 -5.698 17 HA3 GLY 3 HA3 GLY 3 3.685 -0.465 -5.866 18 H ALA 4 H ALA 4 1.163 -1.453 -4.343 19 HA ALA 4 HA ALA 4 -0.281 -2.172 -6.717 20 HB1 ALA 4 HB1 ALA 4 -0.625 -3.943 -5.416 21 HB2 ALA 4 HB2 ALA 4 -0.154 -3.058 -3.965 22 HB3 ALA 4 HB3 ALA 4 -1.816 -2.971 -4.550 23 H VAL 5 H VAL 5 -0.509 0.324 -4.375 24 HA VAL 5 HA VAL 5 -3.208 0.899 -4.274 25 HB VAL 5 HB VAL 5 -1.434 2.085 -2.985 26 HG11 VAL 5 HG11 VAL 5 -0.077 3.731 -3.907 27 HG12 VAL 5 HG12 VAL 5 -0.060 2.468 -5.139 28 HG13 VAL 5 HG13 VAL 5 -1.081 3.891 -5.348 29 HG21 VAL 5 HG21 VAL 5 -2.729 4.412 -4.041 30 HG22 VAL 5 HG22 VAL 5 -3.871 3.070 -3.985 31 HG23 VAL 5 HG23 VAL 5 -3.023 3.568 -2.521 32 H LEU 6 H LEU 6 -0.857 1.743 -6.772 33 HA LEU 6 HA LEU 6 -2.734 3.287 -8.299 34 HB2 LEU 6 HB2 LEU 6 -0.941 3.194 -10.048 35 HB3 LEU 6 HB3 LEU 6 -0.460 3.895 -8.503 36 HG LEU 6 HG LEU 6 0.126 1.064 -8.598 37 HD11 LEU 6 HD11 LEU 6 1.921 1.197 -10.271 38 HD12 LEU 6 HD12 LEU 6 1.351 2.800 -10.736 39 HD13 LEU 6 HD13 LEU 6 0.321 1.391 -10.989 40 HD21 LEU 6 HD21 LEU 6 1.478 3.632 -7.967 41 HD22 LEU 6 HD22 LEU 6 2.488 2.225 -8.302 42 HD23 LEU 6 HD23 LEU 6 1.306 2.172 -6.993 43 H LYS 7 H LYS 7 -1.634 -0.027 -8.242 44 HA LYS 7 HA LYS 7 -2.672 -0.782 -10.778 45 HB2 LYS 7 HB2 LYS 7 -1.733 -2.258 -8.348 46 HB3 LYS 7 HB3 LYS 7 -2.589 -3.132 -9.611 47 HG2 LYS 7 HG2 LYS 7 -0.509 -3.429 -10.413 48 HG3 LYS 7 HG3 LYS 7 -0.788 -1.833 -11.113 49 HD2 LYS 7 HD2 LYS 7 0.317 -0.801 -9.184 50 HD3 LYS 7 HD3 LYS 7 0.602 -2.401 -8.494 51 HE2 LYS 7 HE2 LYS 7 2.576 -1.458 -9.665 52 HE3 LYS 7 HE3 LYS 7 2.031 -2.997 -10.331 53 HZ1 LYS 7 HZ1 LYS 7 1.008 -0.518 -11.515 54 HZ2 LYS 7 HZ2 LYS 7 1.299 -2.017 -12.241 55 HZ3 LYS 7 HZ3 LYS 7 2.592 -0.988 -11.880 56 H VAL 8 H VAL 8 -3.889 -1.243 -7.461 57 HA VAL 8 HA VAL 8 -6.250 -2.547 -8.010 58 HB VAL 8 HB VAL 8 -7.157 -1.536 -5.939 59 HG11 VAL 8 HG11 VAL 8 -4.324 -2.556 -5.872 60 HG12 VAL 8 HG12 VAL 8 -5.318 -2.344 -4.429 61 HG13 VAL 8 HG13 VAL 8 -5.812 -3.482 -5.683 62 HG21 VAL 8 HG21 VAL 8 -5.946 0.088 -4.690 63 HG22 VAL 8 HG22 VAL 8 -4.572 0.005 -5.793 64 HG23 VAL 8 HG23 VAL 8 -6.096 0.708 -6.334 65 H LEU 9 H LEU 9 -5.429 0.777 -8.571 66 HA LEU 9 HA LEU 9 -7.910 1.994 -8.685 67 HB2 LEU 9 HB2 LEU 9 -5.637 2.490 -10.599 68 HB3 LEU 9 HB3 LEU 9 -6.922 3.614 -10.162 69 HG LEU 9 HG LEU 9 -4.613 2.696 -8.462 70 HD11 LEU 9 HD11 LEU 9 -4.015 4.467 -9.937 71 HD12 LEU 9 HD12 LEU 9 -4.236 5.164 -8.333 72 HD13 LEU 9 HD13 LEU 9 -5.488 5.360 -9.558 73 HD21 LEU 9 HD21 LEU 9 -7.098 4.207 -7.681 74 HD22 LEU 9 HD22 LEU 9 -5.614 4.211 -6.727 75 HD23 LEU 9 HD23 LEU 9 -6.487 2.701 -6.997 76 H THR 10 H THR 10 -6.337 -0.088 -11.037 77 HA THR 10 HA THR 10 -8.498 0.284 -12.956 78 HB THR 10 HB THR 10 -6.250 -1.683 -13.287 79 HG1 THR 10 HG1 THR 10 -5.267 0.258 -14.424 80 HG21 THR 10 HG21 THR 10 -7.734 -1.912 -15.053 81 HG22 THR 10 HG22 THR 10 -6.579 -0.745 -15.697 82 HG23 THR 10 HG23 THR 10 -8.134 -0.195 -15.073 83 H THR 11 H THR 11 -7.268 -2.116 -10.715 84 HA THR 11 HA THR 11 -8.854 -4.286 -11.620 85 HB THR 11 HB THR 11 -8.042 -4.095 -8.752 86 HG1 THR 11 HG1 THR 11 -5.947 -4.127 -9.209 87 HG21 THR 11 HG21 THR 11 -7.237 -6.431 -10.266 88 HG22 THR 11 HG22 THR 11 -8.963 -6.108 -10.437 89 HG23 THR 11 HG23 THR 11 -8.259 -6.317 -8.834 90 H GLY 12 H GLY 12 -9.532 -1.512 -9.691 91 HA2 GLY 12 HA2 GLY 12 -11.772 -2.589 -8.274 92 HA3 GLY 12 HA3 GLY 12 -11.365 -0.888 -8.439 93 H LEU 13 H LEU 13 -11.324 -1.373 -11.461 94 HA LEU 13 HA LEU 13 -13.932 -0.433 -11.978 95 HB2 LEU 13 HB2 LEU 13 -12.510 0.248 -13.612 96 HB3 LEU 13 HB3 LEU 13 -11.591 -1.255 -13.590 97 HG LEU 13 HG LEU 13 -13.405 -2.347 -14.862 98 HD11 LEU 13 HD11 LEU 13 -14.583 0.425 -14.848 99 HD12 LEU 13 HD12 LEU 13 -15.303 -1.055 -14.215 100 HD13 LEU 13 HD13 LEU 13 -15.084 -0.855 -15.954 101 HD21 LEU 13 HD21 LEU 13 -12.817 -1.437 -16.961 102 HD22 LEU 13 HD22 LEU 13 -11.413 -1.203 -15.919 103 HD23 LEU 13 HD23 LEU 13 -12.490 0.151 -16.266 104 HA PRO 14 HA PRO 14 -14.824 -4.828 -13.780 105 HB2 PRO 14 HB2 PRO 14 -13.018 -6.782 -13.242 106 HB3 PRO 14 HB3 PRO 14 -12.916 -5.747 -14.671 107 HG2 PRO 14 HG2 PRO 14 -11.445 -5.538 -12.072 108 HG3 PRO 14 HG3 PRO 14 -10.832 -5.336 -13.724 109 HD2 PRO 14 HD2 PRO 14 -11.430 -3.234 -12.125 110 HD3 PRO 14 HD3 PRO 14 -11.625 -3.178 -13.889 111 H ALA 15 H ALA 15 -13.271 -4.485 -10.665 112 HA ALA 15 HA ALA 15 -14.750 -6.658 -9.460 113 HB1 ALA 15 HB1 ALA 15 -12.383 -5.786 -8.836 114 HB2 ALA 15 HB2 ALA 15 -13.270 -4.593 -7.885 115 HB3 ALA 15 HB3 ALA 15 -13.481 -6.314 -7.560 116 H LEU 16 H LEU 16 -15.066 -3.218 -9.840 117 HA LEU 16 HA LEU 16 -16.825 -2.651 -7.734 118 HB2 LEU 16 HB2 LEU 16 -15.822 -0.849 -8.894 119 HB3 LEU 16 HB3 LEU 16 -16.446 -1.408 -10.444 120 HG LEU 16 HG LEU 16 -18.577 -0.801 -8.570 121 HD11 LEU 16 HD11 LEU 16 -16.895 0.805 -7.738 122 HD12 LEU 16 HD12 LEU 16 -18.287 1.589 -8.484 123 HD13 LEU 16 HD13 LEU 16 -16.764 1.472 -9.365 124 HD21 LEU 16 HD21 LEU 16 -19.181 -1.005 -10.802 125 HD22 LEU 16 HD22 LEU 16 -17.794 -0.074 -11.368 126 HD23 LEU 16 HD23 LEU 16 -19.136 0.742 -10.563 127 H ILE 17 H ILE 17 -17.641 -3.186 -11.168 128 HA ILE 17 HA ILE 17 -20.425 -3.442 -10.657 129 HB ILE 17 HB ILE 17 -20.694 -3.945 -12.942 130 HG12 ILE 17 HG12 ILE 17 -18.971 -5.799 -12.916 131 HG13 ILE 17 HG13 ILE 17 -19.015 -4.831 -14.386 132 HG21 ILE 17 HG21 ILE 17 -18.259 -2.189 -12.658 133 HG22 ILE 17 HG22 ILE 17 -19.289 -2.276 -14.086 134 HG23 ILE 17 HG23 ILE 17 -19.943 -1.675 -12.562 135 HD11 ILE 17 HD11 ILE 17 -16.738 -5.244 -13.778 136 HD12 ILE 17 HD12 ILE 17 -17.092 -3.535 -13.525 137 HD13 ILE 17 HD13 ILE 17 -17.017 -4.633 -12.147 138 H SER 18 H SER 18 -17.759 -5.681 -10.751 139 HA SER 18 HA SER 18 -19.178 -8.078 -11.093 140 HB2 SER 18 HB2 SER 18 -16.811 -8.153 -11.327 141 HB3 SER 18 HB3 SER 18 -16.557 -7.457 -9.727 142 HG SER 18 HG SER 18 -16.710 -9.377 -8.897 143 H TRP 19 H TRP 19 -18.531 -6.124 -8.248 144 HA TRP 19 HA TRP 19 -19.369 -8.003 -6.313 145 HB2 TRP 19 HB2 TRP 19 -18.052 -5.847 -5.937 146 HB3 TRP 19 HB3 TRP 19 -19.599 -5.008 -6.029 147 HD1 TRP 19 HD1 TRP 19 -17.405 -6.884 -3.655 148 HE1 TRP 19 HE1 TRP 19 -18.575 -7.112 -1.374 149 HE3 TRP 19 HE3 TRP 19 -22.097 -5.357 -4.993 150 HZ2 TRP 19 HZ2 TRP 19 -21.146 -6.700 -0.286 151 HZ3 TRP 19 HZ3 TRP 19 -23.855 -5.304 -3.272 152 HH2 TRP 19 HH2 TRP 19 -23.388 -5.962 -0.968 153 H ILE 20 H ILE 20 -21.090 -5.306 -7.873 154 HA ILE 20 HA ILE 20 -23.571 -5.852 -6.593 155 HB ILE 20 HB ILE 20 -23.091 -3.632 -7.466 156 HG12 ILE 20 HG12 ILE 20 -25.212 -3.237 -8.670 157 HG13 ILE 20 HG13 ILE 20 -25.382 -4.971 -8.923 158 HG21 ILE 20 HG21 ILE 20 -23.053 -3.195 -9.875 159 HG22 ILE 20 HG22 ILE 20 -21.741 -4.266 -9.387 160 HG23 ILE 20 HG23 ILE 20 -23.166 -4.927 -10.188 161 HD11 ILE 20 HD11 ILE 20 -24.998 -4.409 -6.138 162 HD12 ILE 20 HD12 ILE 20 -26.336 -3.459 -6.785 163 HD13 ILE 20 HD13 ILE 20 -26.341 -5.215 -6.948 164 H LYS 21 H LYS 21 -22.083 -6.881 -9.594 165 HA LYS 21 HA LYS 21 -24.344 -7.922 -10.881 166 HB2 LYS 21 HB2 LYS 21 -21.405 -8.385 -11.063 167 HB3 LYS 21 HB3 LYS 21 -22.470 -9.551 -11.838 168 HG2 LYS 21 HG2 LYS 21 -23.367 -7.923 -13.285 169 HG3 LYS 21 HG3 LYS 21 -22.672 -6.599 -12.348 170 HD2 LYS 21 HD2 LYS 21 -20.428 -7.309 -12.987 171 HD3 LYS 21 HD3 LYS 21 -21.104 -8.664 -13.895 172 HE2 LYS 21 HE2 LYS 21 -21.743 -5.775 -14.465 173 HE3 LYS 21 HE3 LYS 21 -20.462 -6.672 -15.277 174 HZ1 LYS 21 HZ1 LYS 21 -23.347 -6.867 -15.588 175 HZ2 LYS 21 HZ2 LYS 21 -22.495 -8.326 -15.647 176 HZ3 LYS 21 HZ3 LYS 21 -22.118 -7.082 -16.730 177 H ARG 22 H ARG 22 -21.894 -9.652 -8.946 178 HA ARG 22 HA ARG 22 -23.117 -12.144 -8.940 179 HB2 ARG 22 HB2 ARG 22 -21.787 -12.630 -6.946 180 HB3 ARG 22 HB3 ARG 22 -20.832 -11.766 -8.143 181 HG2 ARG 22 HG2 ARG 22 -20.847 -9.788 -6.899 182 HG3 ARG 22 HG3 ARG 22 -22.191 -10.330 -5.891 183 HD2 ARG 22 HD2 ARG 22 -20.613 -12.182 -5.104 184 HD3 ARG 22 HD3 ARG 22 -19.326 -11.230 -5.843 185 HE ARG 22 HE ARG 22 -20.873 -9.617 -4.111 186 HH11 ARG 22 HH11 ARG 22 -18.474 -12.139 -4.088 187 HH12 ARG 22 HH12 ARG 22 -17.814 -11.677 -2.554 188 HH21 ARG 22 HH21 ARG 22 -20.013 -8.999 -2.091 189 HH22 ARG 22 HH22 ARG 22 -18.691 -9.891 -1.419 190 H LYS 23 H LYS 23 -23.888 -9.277 -7.145 191 HA LYS 23 HA LYS 23 -25.277 -10.263 -4.975 192 HB2 LYS 23 HB2 LYS 23 -24.788 -7.827 -5.647 193 HB3 LYS 23 HB3 LYS 23 -26.281 -7.919 -6.573 194 HG2 LYS 23 HG2 LYS 23 -27.599 -7.998 -4.706 195 HG3 LYS 23 HG3 LYS 23 -26.333 -8.717 -3.708 196 HD2 LYS 23 HD2 LYS 23 -25.303 -6.682 -3.319 197 HD3 LYS 23 HD3 LYS 23 -25.997 -5.940 -4.763 198 HE2 LYS 23 HE2 LYS 23 -27.208 -4.950 -3.055 199 HE3 LYS 23 HE3 LYS 23 -28.260 -6.275 -3.552 200 HZ1 LYS 23 HZ1 LYS 23 -27.590 -7.557 -1.698 201 HZ2 LYS 23 HZ2 LYS 23 -27.960 -6.018 -1.102 202 HZ3 LYS 23 HZ3 LYS 23 -26.345 -6.483 -1.298 203 H ARG 24 H ARG 24 -26.607 -9.513 -8.196 204 HA ARG 24 HA ARG 24 -28.871 -11.292 -7.567 205 HB2 ARG 24 HB2 ARG 24 -29.033 -9.243 -9.736 206 HB3 ARG 24 HB3 ARG 24 -30.317 -9.926 -8.747 207 HG2 ARG 24 HG2 ARG 24 -28.854 -8.631 -6.870 208 HG3 ARG 24 HG3 ARG 24 -28.608 -7.593 -8.276 209 HD2 ARG 24 HD2 ARG 24 -31.225 -8.420 -7.034 210 HD3 ARG 24 HD3 ARG 24 -30.530 -6.800 -7.095 211 HE ARG 24 HE ARG 24 -30.791 -7.566 -9.714 212 HH11 ARG 24 HH11 ARG 24 -32.931 -7.219 -6.990 213 HH12 ARG 24 HH12 ARG 24 -34.311 -6.824 -7.959 214 HH21 ARG 24 HH21 ARG 24 -32.601 -7.046 -11.000 215 HH22 ARG 24 HH22 ARG 24 -34.123 -6.727 -10.240 216 H GLN 25 H GLN 25 -27.327 -9.961 -10.497 217 HA GLN 25 HA GLN 25 -27.141 -12.705 -11.540 218 HB2 GLN 25 HB2 GLN 25 -28.678 -10.492 -12.595 219 HB3 GLN 25 HB3 GLN 25 -27.481 -11.036 -13.763 220 HG2 GLN 25 HG2 GLN 25 -28.349 -13.365 -13.413 221 HG3 GLN 25 HG3 GLN 25 -29.663 -12.653 -12.478 222 HE21 GLN 25 HE21 GLN 25 -31.027 -13.655 -14.093 223 HE22 GLN 25 HE22 GLN 25 -31.313 -12.837 -15.588 224 H GLN 26 H GLN 26 -25.165 -13.237 -12.192 225 HA GLN 26 HA GLN 26 -22.935 -11.639 -11.908 226 HB2 GLN 26 HB2 GLN 26 -23.524 -14.187 -13.295 227 HB3 GLN 26 HB3 GLN 26 -22.058 -13.354 -13.797 228 HG2 GLN 26 HG2 GLN 26 -21.627 -13.220 -11.216 229 HG3 GLN 26 HG3 GLN 26 -22.739 -14.588 -11.179 230 HE21 GLN 26 HE21 GLN 26 -19.762 -14.225 -10.730 231 HE22 GLN 26 HE22 GLN 26 -19.041 -15.467 -11.690 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.566 -1.999 0.781 2 HA2 GLY 1 HA2 GLY 1 1.341 -3.102 -1.906 3 HA3 GLY 1 HA3 GLY 1 -0.174 -2.781 -1.075 4 H ILE 2 H ILE 2 2.913 -1.015 -1.318 5 HA ILE 2 HA ILE 2 1.579 1.505 -1.490 6 HB ILE 2 HB ILE 2 4.472 0.847 -2.059 7 HG12 ILE 2 HG12 ILE 2 3.764 0.222 0.223 8 HG13 ILE 2 HG13 ILE 2 4.899 1.567 0.234 9 HG21 ILE 2 HG21 ILE 2 4.609 3.356 -1.296 10 HG22 ILE 2 HG22 ILE 2 4.240 2.938 -2.968 11 HG23 ILE 2 HG23 ILE 2 2.941 3.394 -1.866 12 HD11 ILE 2 HD11 ILE 2 1.914 1.773 0.545 13 HD12 ILE 2 HD12 ILE 2 3.111 1.913 1.832 14 HD13 ILE 2 HD13 ILE 2 3.047 3.123 0.551 15 H GLY 3 H GLY 3 3.389 -0.493 -3.813 16 HA2 GLY 3 HA2 GLY 3 2.864 1.306 -5.997 17 HA3 GLY 3 HA3 GLY 3 3.613 -0.280 -6.107 18 H ALA 4 H ALA 4 1.122 -1.221 -4.504 19 HA ALA 4 HA ALA 4 -0.350 -2.056 -6.822 20 HB1 ALA 4 HB1 ALA 4 -0.164 -2.825 -4.043 21 HB2 ALA 4 HB2 ALA 4 -1.841 -2.761 -4.585 22 HB3 ALA 4 HB3 ALA 4 -0.676 -3.769 -5.443 23 H VAL 5 H VAL 5 -0.565 0.540 -4.590 24 HA VAL 5 HA VAL 5 -3.268 1.098 -4.473 25 HB VAL 5 HB VAL 5 -1.486 2.355 -3.265 26 HG11 VAL 5 HG11 VAL 5 -0.157 3.969 -4.279 27 HG12 VAL 5 HG12 VAL 5 -0.144 2.650 -5.451 28 HG13 VAL 5 HG13 VAL 5 -1.180 4.054 -5.713 29 HG21 VAL 5 HG21 VAL 5 -3.340 4.142 -4.832 30 HG22 VAL 5 HG22 VAL 5 -3.838 3.153 -3.459 31 HG23 VAL 5 HG23 VAL 5 -2.661 4.447 -3.233 32 H LEU 6 H LEU 6 -0.960 1.849 -7.042 33 HA LEU 6 HA LEU 6 -2.873 3.308 -8.608 34 HB2 LEU 6 HB2 LEU 6 -1.105 3.152 -10.377 35 HB3 LEU 6 HB3 LEU 6 -0.608 3.924 -8.872 36 HG LEU 6 HG LEU 6 0.002 1.097 -8.850 37 HD11 LEU 6 HD11 LEU 6 1.956 1.596 -10.553 38 HD12 LEU 6 HD12 LEU 6 0.753 2.681 -11.249 39 HD13 LEU 6 HD13 LEU 6 0.401 0.960 -11.091 40 HD21 LEU 6 HD21 LEU 6 1.193 2.287 -7.313 41 HD22 LEU 6 HD22 LEU 6 1.341 3.702 -8.355 42 HD23 LEU 6 HD23 LEU 6 2.356 2.287 -8.639 43 H LYS 7 H LYS 7 -1.739 0.009 -8.423 44 HA LYS 7 HA LYS 7 -2.809 -0.867 -10.906 45 HB2 LYS 7 HB2 LYS 7 -1.821 -2.225 -8.427 46 HB3 LYS 7 HB3 LYS 7 -2.687 -3.162 -9.638 47 HG2 LYS 7 HG2 LYS 7 -0.616 -3.477 -10.456 48 HG3 LYS 7 HG3 LYS 7 -0.920 -1.915 -11.222 49 HD2 LYS 7 HD2 LYS 7 0.204 -0.790 -9.356 50 HD3 LYS 7 HD3 LYS 7 0.512 -2.355 -8.600 51 HE2 LYS 7 HE2 LYS 7 1.433 -1.852 -11.397 52 HE3 LYS 7 HE3 LYS 7 2.358 -1.200 -10.045 53 HZ1 LYS 7 HZ1 LYS 7 3.321 -3.251 -10.404 54 HZ2 LYS 7 HZ2 LYS 7 1.853 -4.016 -10.753 55 HZ3 LYS 7 HZ3 LYS 7 2.229 -3.595 -9.158 56 H VAL 8 H VAL 8 -3.973 -1.191 -7.554 57 HA VAL 8 HA VAL 8 -6.330 -2.538 -8.010 58 HB VAL 8 HB VAL 8 -7.216 -1.444 -5.973 59 HG11 VAL 8 HG11 VAL 8 -5.317 -2.146 -4.462 60 HG12 VAL 8 HG12 VAL 8 -5.868 -3.358 -5.620 61 HG13 VAL 8 HG13 VAL 8 -4.383 -2.456 -5.925 62 HG21 VAL 8 HG21 VAL 8 -6.186 0.789 -6.483 63 HG22 VAL 8 HG22 VAL 8 -6.005 0.247 -4.815 64 HG23 VAL 8 HG23 VAL 8 -4.647 0.127 -5.933 65 H LEU 9 H LEU 9 -5.547 0.765 -8.731 66 HA LEU 9 HA LEU 9 -8.041 1.954 -8.863 67 HB2 LEU 9 HB2 LEU 9 -5.799 2.385 -10.828 68 HB3 LEU 9 HB3 LEU 9 -7.089 3.516 -10.424 69 HG LEU 9 HG LEU 9 -4.749 2.694 -8.715 70 HD11 LEU 9 HD11 LEU 9 -5.670 5.348 -9.810 71 HD12 LEU 9 HD12 LEU 9 -4.275 4.415 -10.354 72 HD13 LEU 9 HD13 LEU 9 -4.295 5.107 -8.732 73 HD21 LEU 9 HD21 LEU 9 -5.740 4.273 -7.036 74 HD22 LEU 9 HD22 LEU 9 -6.604 2.747 -7.227 75 HD23 LEU 9 HD23 LEU 9 -7.236 4.218 -7.968 76 H THR 10 H THR 10 -6.482 -0.218 -11.142 77 HA THR 10 HA THR 10 -8.670 0.052 -13.046 78 HB THR 10 HB THR 10 -7.372 -1.533 -14.440 79 HG1 THR 10 HG1 THR 10 -5.302 -2.156 -13.713 80 HG21 THR 10 HG21 THR 10 -6.709 1.128 -13.767 81 HG22 THR 10 HG22 THR 10 -6.354 0.268 -15.265 82 HG23 THR 10 HG23 THR 10 -5.190 0.250 -13.941 83 H THR 11 H THR 11 -7.397 -2.233 -10.712 84 HA THR 11 HA THR 11 -8.977 -4.453 -11.499 85 HB THR 11 HB THR 11 -8.086 -4.087 -8.662 86 HG1 THR 11 HG1 THR 11 -6.381 -4.704 -10.866 87 HG21 THR 11 HG21 THR 11 -7.450 -6.517 -9.052 88 HG22 THR 11 HG22 THR 11 -8.303 -6.390 -10.590 89 HG23 THR 11 HG23 THR 11 -9.174 -6.147 -9.076 90 H GLY 12 H GLY 12 -9.647 -1.602 -9.682 91 HA2 GLY 12 HA2 GLY 12 -11.863 -2.631 -8.192 92 HA3 GLY 12 HA3 GLY 12 -11.467 -0.935 -8.433 93 H LEU 13 H LEU 13 -11.462 -1.548 -11.433 94 HA LEU 13 HA LEU 13 -14.079 -0.641 -11.956 95 HB2 LEU 13 HB2 LEU 13 -12.682 -0.027 -13.637 96 HB3 LEU 13 HB3 LEU 13 -11.756 -1.525 -13.561 97 HG LEU 13 HG LEU 13 -13.581 -2.677 -14.761 98 HD11 LEU 13 HD11 LEU 13 -15.143 -0.946 -15.975 99 HD12 LEU 13 HD12 LEU 13 -14.831 0.012 -14.528 100 HD13 LEU 13 HD13 LEU 13 -15.556 -1.589 -14.385 101 HD21 LEU 13 HD21 LEU 13 -12.515 -2.196 -16.650 102 HD22 LEU 13 HD22 LEU 13 -11.669 -0.922 -15.771 103 HD23 LEU 13 HD23 LEU 13 -13.147 -0.549 -16.660 104 HA PRO 14 HA PRO 14 -14.979 -5.113 -13.553 105 HB2 PRO 14 HB2 PRO 14 -13.159 -7.036 -12.955 106 HB3 PRO 14 HB3 PRO 14 -13.080 -6.063 -14.429 107 HG2 PRO 14 HG2 PRO 14 -11.575 -5.738 -11.862 108 HG3 PRO 14 HG3 PRO 14 -10.985 -5.606 -13.529 109 HD2 PRO 14 HD2 PRO 14 -11.570 -3.439 -12.015 110 HD3 PRO 14 HD3 PRO 14 -11.787 -3.460 -13.777 111 H ALA 15 H ALA 15 -13.385 -4.633 -10.478 112 HA ALA 15 HA ALA 15 -14.840 -6.754 -9.159 113 HB1 ALA 15 HB1 ALA 15 -12.468 -5.841 -8.607 114 HB2 ALA 15 HB2 ALA 15 -13.352 -4.621 -7.689 115 HB3 ALA 15 HB3 ALA 15 -13.544 -6.330 -7.298 116 H LEU 16 H LEU 16 -15.177 -3.338 -9.688 117 HA LEU 16 HA LEU 16 -16.910 -2.685 -7.584 118 HB2 LEU 16 HB2 LEU 16 -15.926 -0.932 -8.834 119 HB3 LEU 16 HB3 LEU 16 -16.570 -1.558 -10.350 120 HG LEU 16 HG LEU 16 -18.679 -0.877 -8.476 121 HD11 LEU 16 HD11 LEU 16 -17.079 1.459 -9.460 122 HD12 LEU 16 HD12 LEU 16 -16.803 0.755 -7.867 123 HD13 LEU 16 HD13 LEU 16 -18.382 1.427 -8.272 124 HD21 LEU 16 HD21 LEU 16 -17.931 -0.257 -11.309 125 HD22 LEU 16 HD22 LEU 16 -19.268 0.582 -10.521 126 HD23 LEU 16 HD23 LEU 16 -19.306 -1.174 -10.693 127 H ILE 17 H ILE 17 -17.767 -3.369 -10.982 128 HA ILE 17 HA ILE 17 -20.544 -3.611 -10.424 129 HB ILE 17 HB ILE 17 -20.840 -4.208 -12.683 130 HG12 ILE 17 HG12 ILE 17 -19.113 -6.057 -12.603 131 HG13 ILE 17 HG13 ILE 17 -19.177 -5.150 -14.111 132 HG21 ILE 17 HG21 ILE 17 -20.088 -1.923 -12.405 133 HG22 ILE 17 HG22 ILE 17 -18.406 -2.438 -12.505 134 HG23 ILE 17 HG23 ILE 17 -19.458 -2.584 -13.913 135 HD11 ILE 17 HD11 ILE 17 -17.151 -4.853 -11.909 136 HD12 ILE 17 HD12 ILE 17 -16.892 -5.533 -13.515 137 HD13 ILE 17 HD13 ILE 17 -17.247 -3.815 -13.331 138 H SER 18 H SER 18 -17.870 -5.843 -10.461 139 HA SER 18 HA SER 18 -19.266 -8.260 -10.696 140 HB2 SER 18 HB2 SER 18 -16.903 -8.340 -10.914 141 HB3 SER 18 HB3 SER 18 -16.657 -7.553 -9.355 142 HG SER 18 HG SER 18 -16.637 -10.092 -9.775 143 H TRP 19 H TRP 19 -18.658 -6.183 -7.932 144 HA TRP 19 HA TRP 19 -19.439 -7.958 -5.900 145 HB2 TRP 19 HB2 TRP 19 -18.274 -5.691 -5.669 146 HB3 TRP 19 HB3 TRP 19 -19.877 -4.976 -5.809 147 HD1 TRP 19 HD1 TRP 19 -17.563 -6.567 -3.335 148 HE1 TRP 19 HE1 TRP 19 -18.715 -6.727 -1.039 149 HE3 TRP 19 HE3 TRP 19 -22.337 -5.397 -4.740 150 HZ2 TRP 19 HZ2 TRP 19 -21.306 -6.400 0.034 151 HZ3 TRP 19 HZ3 TRP 19 -24.094 -5.343 -3.018 152 HH2 TRP 19 HH2 TRP 19 -23.587 -5.835 -0.681 153 H ILE 20 H ILE 20 -21.313 -5.473 -7.631 154 HA ILE 20 HA ILE 20 -23.771 -6.155 -6.350 155 HB ILE 20 HB ILE 20 -23.434 -3.919 -7.249 156 HG12 ILE 20 HG12 ILE 20 -25.567 -5.096 -8.994 157 HG13 ILE 20 HG13 ILE 20 -25.730 -5.186 -7.244 158 HG21 ILE 20 HG21 ILE 20 -23.408 -3.523 -9.674 159 HG22 ILE 20 HG22 ILE 20 -22.015 -4.462 -9.139 160 HG23 ILE 20 HG23 ILE 20 -23.362 -5.265 -9.946 161 HD11 ILE 20 HD11 ILE 20 -25.158 -2.571 -8.561 162 HD12 ILE 20 HD12 ILE 20 -26.798 -3.218 -8.526 163 HD13 ILE 20 HD13 ILE 20 -25.942 -2.903 -7.017 164 H LYS 21 H LYS 21 -22.159 -7.135 -9.299 165 HA LYS 21 HA LYS 21 -24.307 -8.329 -10.633 166 HB2 LYS 21 HB2 LYS 21 -21.344 -8.660 -10.688 167 HB3 LYS 21 HB3 LYS 21 -22.327 -9.884 -11.482 168 HG2 LYS 21 HG2 LYS 21 -23.248 -8.306 -12.982 169 HG3 LYS 21 HG3 LYS 21 -22.605 -6.947 -12.056 170 HD2 LYS 21 HD2 LYS 21 -20.307 -7.782 -12.584 171 HD3 LYS 21 HD3 LYS 21 -21.046 -8.973 -13.656 172 HE2 LYS 21 HE2 LYS 21 -21.571 -6.026 -13.926 173 HE3 LYS 21 HE3 LYS 21 -20.201 -6.810 -14.712 174 HZ1 LYS 21 HZ1 LYS 21 -22.900 -6.737 -15.528 175 HZ2 LYS 21 HZ2 LYS 21 -22.441 -8.345 -15.278 176 HZ3 LYS 21 HZ3 LYS 21 -21.562 -7.372 -16.347 177 H ARG 22 H ARG 22 -21.866 -9.874 -8.538 178 HA ARG 22 HA ARG 22 -22.952 -12.429 -8.522 179 HB2 ARG 22 HB2 ARG 22 -21.702 -12.784 -6.444 180 HB3 ARG 22 HB3 ARG 22 -20.734 -11.919 -7.630 181 HG2 ARG 22 HG2 ARG 22 -20.899 -9.900 -6.466 182 HG3 ARG 22 HG3 ARG 22 -22.260 -10.469 -5.498 183 HD2 ARG 22 HD2 ARG 22 -20.609 -12.228 -4.602 184 HD3 ARG 22 HD3 ARG 22 -19.357 -11.185 -5.275 185 HE ARG 22 HE ARG 22 -20.861 -9.497 -3.775 186 HH11 ARG 22 HH11 ARG 22 -19.261 -12.522 -3.139 187 HH12 ARG 22 HH12 ARG 22 -18.965 -12.164 -1.470 188 HH21 ARG 22 HH21 ARG 22 -20.477 -9.013 -1.580 189 HH22 ARG 22 HH22 ARG 22 -19.658 -10.169 -0.584 190 H LYS 23 H LYS 23 -23.953 -9.564 -6.836 191 HA LYS 23 HA LYS 23 -25.409 -10.604 -4.723 192 HB2 LYS 23 HB2 LYS 23 -24.955 -8.149 -5.370 193 HB3 LYS 23 HB3 LYS 23 -26.403 -8.283 -6.359 194 HG2 LYS 23 HG2 LYS 23 -27.785 -8.249 -4.583 195 HG3 LYS 23 HG3 LYS 23 -26.678 -9.178 -3.568 196 HD2 LYS 23 HD2 LYS 23 -25.333 -7.225 -3.160 197 HD3 LYS 23 HD3 LYS 23 -26.281 -6.281 -4.311 198 HE2 LYS 23 HE2 LYS 23 -27.327 -5.608 -2.417 199 HE3 LYS 23 HE3 LYS 23 -28.251 -7.084 -2.692 200 HZ1 LYS 23 HZ1 LYS 23 -27.239 -6.636 -0.378 201 HZ2 LYS 23 HZ2 LYS 23 -25.793 -7.169 -1.074 202 HZ3 LYS 23 HZ3 LYS 23 -27.137 -8.195 -1.028 203 H ARG 24 H ARG 24 -26.449 -10.067 -8.075 204 HA ARG 24 HA ARG 24 -28.650 -11.959 -7.600 205 HB2 ARG 24 HB2 ARG 24 -29.731 -10.389 -9.512 206 HB3 ARG 24 HB3 ARG 24 -30.007 -10.158 -7.790 207 HG2 ARG 24 HG2 ARG 24 -28.661 -8.310 -7.679 208 HG3 ARG 24 HG3 ARG 24 -27.681 -8.807 -9.060 209 HD2 ARG 24 HD2 ARG 24 -29.239 -8.053 -10.600 210 HD3 ARG 24 HD3 ARG 24 -30.564 -8.114 -9.438 211 HE ARG 24 HE ARG 24 -28.803 -5.919 -9.919 212 HH11 ARG 24 HH11 ARG 24 -30.728 -7.501 -7.487 213 HH12 ARG 24 HH12 ARG 24 -30.944 -6.066 -6.539 214 HH21 ARG 24 HH21 ARG 24 -29.081 -4.024 -8.680 215 HH22 ARG 24 HH22 ARG 24 -30.008 -4.089 -7.219 216 H GLN 25 H GLN 25 -27.533 -10.142 -10.445 217 HA GLN 25 HA GLN 25 -26.722 -12.667 -11.696 218 HB2 GLN 25 HB2 GLN 25 -29.119 -11.517 -12.305 219 HB3 GLN 25 HB3 GLN 25 -28.069 -10.777 -13.506 220 HG2 GLN 25 HG2 GLN 25 -27.283 -13.232 -13.908 221 HG3 GLN 25 HG3 GLN 25 -28.822 -13.636 -13.150 222 HE21 GLN 25 HE21 GLN 25 -27.331 -11.883 -15.805 223 HE22 GLN 25 HE22 GLN 25 -28.704 -11.931 -16.853 224 H GLN 26 H GLN 26 -25.461 -12.292 -13.726 225 HA GLN 26 HA GLN 26 -23.468 -10.278 -13.226 226 HB2 GLN 26 HB2 GLN 26 -23.774 -12.509 -15.205 227 HB3 GLN 26 HB3 GLN 26 -22.544 -11.277 -15.452 228 HG2 GLN 26 HG2 GLN 26 -21.690 -11.802 -13.156 229 HG3 GLN 26 HG3 GLN 26 -22.801 -13.171 -13.134 230 HE21 GLN 26 HE21 GLN 26 -20.932 -14.505 -12.892 231 HE22 GLN 26 HE22 GLN 26 -19.979 -14.928 -14.269 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.273 -2.810 -0.217 2 HA2 GLY 1 HA2 GLY 1 1.640 -3.169 -0.575 3 HA3 GLY 1 HA3 GLY 1 0.480 -3.453 -1.865 4 H ILE 2 H ILE 2 2.788 -1.432 -1.115 5 HA ILE 2 HA ILE 2 1.528 1.125 -1.298 6 HB ILE 2 HB ILE 2 4.409 0.370 -1.803 7 HG12 ILE 2 HG12 ILE 2 3.612 -0.177 0.474 8 HG13 ILE 2 HG13 ILE 2 4.808 1.114 0.483 9 HG21 ILE 2 HG21 ILE 2 4.119 2.460 -2.807 10 HG22 ILE 2 HG22 ILE 2 3.009 3.010 -1.553 11 HG23 ILE 2 HG23 ILE 2 4.728 2.839 -1.196 12 HD11 ILE 2 HD11 ILE 2 2.240 1.111 1.621 13 HD12 ILE 2 HD12 ILE 2 3.406 2.433 1.563 14 HD13 ILE 2 HD13 ILE 2 2.207 2.259 0.282 15 H GLY 3 H GLY 3 3.286 -0.936 -3.602 16 HA2 GLY 3 HA2 GLY 3 2.875 0.890 -5.787 17 HA3 GLY 3 HA3 GLY 3 3.551 -0.729 -5.891 18 H ALA 4 H ALA 4 0.998 -1.556 -4.324 19 HA ALA 4 HA ALA 4 -0.479 -2.317 -6.665 20 HB1 ALA 4 HB1 ALA 4 -2.040 -2.972 -4.471 21 HB2 ALA 4 HB2 ALA 4 -0.878 -4.019 -5.287 22 HB3 ALA 4 HB3 ALA 4 -0.384 -3.087 -3.874 23 H VAL 5 H VAL 5 -0.608 0.277 -4.422 24 HA VAL 5 HA VAL 5 -3.288 0.954 -4.356 25 HB VAL 5 HB VAL 5 -1.471 2.109 -3.091 26 HG11 VAL 5 HG11 VAL 5 -0.079 2.385 -5.244 27 HG12 VAL 5 HG12 VAL 5 -1.055 3.832 -5.506 28 HG13 VAL 5 HG13 VAL 5 -0.062 3.687 -4.056 29 HG21 VAL 5 HG21 VAL 5 -3.399 3.271 -2.794 30 HG22 VAL 5 HG22 VAL 5 -2.499 4.499 -3.683 31 HG23 VAL 5 HG23 VAL 5 -3.669 3.482 -4.524 32 H LEU 6 H LEU 6 -0.885 1.631 -6.856 33 HA LEU 6 HA LEU 6 -2.686 3.199 -8.447 34 HB2 LEU 6 HB2 LEU 6 -0.890 3.005 -10.170 35 HB3 LEU 6 HB3 LEU 6 -0.375 3.693 -8.631 36 HG LEU 6 HG LEU 6 0.068 0.839 -8.689 37 HD11 LEU 6 HD11 LEU 6 0.755 2.353 -11.100 38 HD12 LEU 6 HD12 LEU 6 0.625 0.613 -10.846 39 HD13 LEU 6 HD13 LEU 6 2.099 1.462 -10.384 40 HD21 LEU 6 HD21 LEU 6 1.641 3.335 -8.207 41 HD22 LEU 6 HD22 LEU 6 2.467 1.783 -8.356 42 HD23 LEU 6 HD23 LEU 6 1.254 2.020 -7.097 43 H LYS 7 H LYS 7 -1.702 -0.152 -8.296 44 HA LYS 7 HA LYS 7 -2.766 -0.938 -10.810 45 HB2 LYS 7 HB2 LYS 7 -1.879 -2.380 -8.341 46 HB3 LYS 7 HB3 LYS 7 -2.767 -3.258 -9.579 47 HG2 LYS 7 HG2 LYS 7 -0.713 -3.648 -10.395 48 HG3 LYS 7 HG3 LYS 7 -0.913 -2.044 -11.105 49 HD2 LYS 7 HD2 LYS 7 0.283 -1.037 -9.261 50 HD3 LYS 7 HD3 LYS 7 0.390 -2.596 -8.440 51 HE2 LYS 7 HE2 LYS 7 1.449 -2.497 -11.193 52 HE3 LYS 7 HE3 LYS 7 2.347 -1.578 -9.985 53 HZ1 LYS 7 HZ1 LYS 7 2.966 -4.018 -10.373 54 HZ2 LYS 7 HZ2 LYS 7 1.576 -4.381 -9.481 55 HZ3 LYS 7 HZ3 LYS 7 2.822 -3.479 -8.776 56 H VAL 8 H VAL 8 -4.006 -1.221 -7.485 57 HA VAL 8 HA VAL 8 -6.413 -2.470 -8.006 58 HB VAL 8 HB VAL 8 -7.283 -1.354 -5.963 59 HG11 VAL 8 HG11 VAL 8 -6.146 -3.334 -5.517 60 HG12 VAL 8 HG12 VAL 8 -4.583 -2.653 -5.973 61 HG13 VAL 8 HG13 VAL 8 -5.351 -2.166 -4.461 62 HG21 VAL 8 HG21 VAL 8 -5.802 0.751 -6.568 63 HG22 VAL 8 HG22 VAL 8 -6.234 0.376 -4.900 64 HG23 VAL 8 HG23 VAL 8 -4.642 -0.063 -5.518 65 H LEU 9 H LEU 9 -5.444 0.760 -8.740 66 HA LEU 9 HA LEU 9 -7.888 2.083 -8.858 67 HB2 LEU 9 HB2 LEU 9 -5.579 2.443 -10.759 68 HB3 LEU 9 HB3 LEU 9 -6.833 3.623 -10.381 69 HG LEU 9 HG LEU 9 -4.588 2.684 -8.606 70 HD11 LEU 9 HD11 LEU 9 -3.996 5.055 -8.602 71 HD12 LEU 9 HD12 LEU 9 -5.343 5.395 -9.686 72 HD13 LEU 9 HD13 LEU 9 -4.001 4.393 -10.237 73 HD21 LEU 9 HD21 LEU 9 -5.560 4.302 -6.952 74 HD22 LEU 9 HD22 LEU 9 -6.487 2.819 -7.181 75 HD23 LEU 9 HD23 LEU 9 -7.024 4.321 -7.935 76 H THR 10 H THR 10 -6.399 -0.148 -11.117 77 HA THR 10 HA THR 10 -8.551 0.252 -13.051 78 HB THR 10 HB THR 10 -6.327 -1.744 -13.370 79 HG1 THR 10 HG1 THR 10 -6.208 1.045 -13.961 80 HG21 THR 10 HG21 THR 10 -7.905 -1.950 -15.090 81 HG22 THR 10 HG22 THR 10 -6.650 -0.927 -15.788 82 HG23 THR 10 HG23 THR 10 -8.148 -0.207 -15.199 83 H THR 11 H THR 11 -7.347 -2.110 -10.762 84 HA THR 11 HA THR 11 -8.972 -4.276 -11.631 85 HB THR 11 HB THR 11 -8.289 -4.299 -8.785 86 HG1 THR 11 HG1 THR 11 -6.055 -4.270 -9.100 87 HG21 THR 11 HG21 THR 11 -8.840 -6.191 -10.544 88 HG22 THR 11 HG22 THR 11 -7.718 -6.481 -9.214 89 HG23 THR 11 HG23 THR 11 -7.101 -6.116 -10.826 90 H GLY 12 H GLY 12 -9.543 -1.491 -9.666 91 HA2 GLY 12 HA2 GLY 12 -11.801 -2.535 -8.243 92 HA3 GLY 12 HA3 GLY 12 -11.332 -0.845 -8.358 93 H LEU 13 H LEU 13 -11.344 -1.296 -11.408 94 HA LEU 13 HA LEU 13 -13.898 -0.200 -11.877 95 HB2 LEU 13 HB2 LEU 13 -12.466 0.409 -13.530 96 HB3 LEU 13 HB3 LEU 13 -11.634 -1.144 -13.530 97 HG LEU 13 HG LEU 13 -13.526 -2.122 -14.781 98 HD11 LEU 13 HD11 LEU 13 -14.927 0.074 -13.908 99 HD12 LEU 13 HD12 LEU 13 -15.450 -1.058 -15.154 100 HD13 LEU 13 HD13 LEU 13 -14.636 0.439 -15.609 101 HD21 LEU 13 HD21 LEU 13 -12.254 0.314 -16.024 102 HD22 LEU 13 HD22 LEU 13 -13.055 -0.982 -16.913 103 HD23 LEU 13 HD23 LEU 13 -11.589 -1.319 -15.991 104 HA PRO 14 HA PRO 14 -15.075 -4.522 -13.694 105 HB2 PRO 14 HB2 PRO 14 -13.382 -6.583 -13.192 106 HB3 PRO 14 HB3 PRO 14 -13.237 -5.546 -14.617 107 HG2 PRO 14 HG2 PRO 14 -11.722 -5.443 -12.037 108 HG3 PRO 14 HG3 PRO 14 -11.120 -5.267 -13.696 109 HD2 PRO 14 HD2 PRO 14 -11.571 -3.144 -12.077 110 HD3 PRO 14 HD3 PRO 14 -11.785 -3.065 -13.837 111 H ALA 15 H ALA 15 -13.459 -4.298 -10.600 112 HA ALA 15 HA ALA 15 -15.051 -6.384 -9.387 113 HB1 ALA 15 HB1 ALA 15 -13.568 -6.322 -7.709 114 HB2 ALA 15 HB2 ALA 15 -12.604 -5.336 -8.809 115 HB3 ALA 15 HB3 ALA 15 -13.622 -4.563 -7.595 116 H LEU 16 H LEU 16 -15.169 -2.932 -9.748 117 HA LEU 16 HA LEU 16 -16.859 -2.274 -7.611 118 HB2 LEU 16 HB2 LEU 16 -15.761 -0.528 -8.773 119 HB3 LEU 16 HB3 LEU 16 -16.443 -1.035 -10.318 120 HG LEU 16 HG LEU 16 -18.503 -0.313 -8.406 121 HD11 LEU 16 HD11 LEU 16 -17.777 2.219 -8.931 122 HD12 LEU 16 HD12 LEU 16 -16.188 1.481 -8.734 123 HD13 LEU 16 HD13 LEU 16 -17.374 1.379 -7.433 124 HD21 LEU 16 HD21 LEU 16 -17.718 0.385 -11.209 125 HD22 LEU 16 HD22 LEU 16 -18.989 1.284 -10.380 126 HD23 LEU 16 HD23 LEU 16 -19.156 -0.455 -10.628 127 H ILE 17 H ILE 17 -17.751 -2.731 -11.038 128 HA ILE 17 HA ILE 17 -20.539 -2.823 -10.489 129 HB ILE 17 HB ILE 17 -20.869 -3.284 -12.774 130 HG12 ILE 17 HG12 ILE 17 -19.264 -5.241 -12.792 131 HG13 ILE 17 HG13 ILE 17 -19.267 -4.256 -14.251 132 HG21 ILE 17 HG21 ILE 17 -18.326 -1.685 -12.512 133 HG22 ILE 17 HG22 ILE 17 -19.383 -1.692 -13.923 134 HG23 ILE 17 HG23 ILE 17 -19.973 -1.068 -12.383 135 HD11 ILE 17 HD11 ILE 17 -17.012 -4.815 -13.679 136 HD12 ILE 17 HD12 ILE 17 -17.256 -3.090 -13.404 137 HD13 ILE 17 HD13 ILE 17 -17.231 -4.205 -12.039 138 H SER 18 H SER 18 -18.013 -5.217 -10.645 139 HA SER 18 HA SER 18 -19.550 -7.526 -11.006 140 HB2 SER 18 HB2 SER 18 -17.197 -7.748 -11.203 141 HB3 SER 18 HB3 SER 18 -16.919 -7.044 -9.609 142 HG SER 18 HG SER 18 -17.504 -9.627 -10.310 143 H TRP 19 H TRP 19 -18.858 -5.630 -8.134 144 HA TRP 19 HA TRP 19 -19.699 -7.411 -6.166 145 HB2 TRP 19 HB2 TRP 19 -18.567 -5.310 -5.640 146 HB3 TRP 19 HB3 TRP 19 -19.956 -4.396 -6.222 147 HD1 TRP 19 HD1 TRP 19 -22.213 -4.516 -4.696 148 HE1 TRP 19 HE1 TRP 19 -22.495 -4.904 -2.167 149 HE3 TRP 19 HE3 TRP 19 -17.621 -6.512 -3.664 150 HZ2 TRP 19 HZ2 TRP 19 -20.972 -5.921 -0.019 151 HZ3 TRP 19 HZ3 TRP 19 -17.113 -7.166 -1.347 152 HH2 TRP 19 HH2 TRP 19 -18.755 -6.876 0.436 153 H ILE 20 H ILE 20 -21.602 -4.898 -7.831 154 HA ILE 20 HA ILE 20 -24.062 -5.707 -6.634 155 HB ILE 20 HB ILE 20 -23.781 -3.419 -7.394 156 HG12 ILE 20 HG12 ILE 20 -25.825 -4.588 -9.258 157 HG13 ILE 20 HG13 ILE 20 -26.038 -4.718 -7.516 158 HG21 ILE 20 HG21 ILE 20 -23.713 -2.890 -9.803 159 HG22 ILE 20 HG22 ILE 20 -22.291 -3.779 -9.261 160 HG23 ILE 20 HG23 ILE 20 -23.562 -4.612 -10.154 161 HD11 ILE 20 HD11 ILE 20 -27.201 -2.806 -7.964 162 HD12 ILE 20 HD12 ILE 20 -25.613 -2.139 -7.585 163 HD13 ILE 20 HD13 ILE 20 -26.116 -2.317 -9.265 164 H LYS 21 H LYS 21 -22.377 -6.485 -9.602 165 HA LYS 21 HA LYS 21 -24.464 -7.647 -11.049 166 HB2 LYS 21 HB2 LYS 21 -21.540 -7.676 -11.124 167 HB3 LYS 21 HB3 LYS 21 -22.259 -9.169 -11.711 168 HG2 LYS 21 HG2 LYS 21 -23.005 -8.214 -13.590 169 HG3 LYS 21 HG3 LYS 21 -23.522 -6.747 -12.756 170 HD2 LYS 21 HD2 LYS 21 -20.966 -6.276 -12.579 171 HD3 LYS 21 HD3 LYS 21 -20.846 -7.437 -13.903 172 HE2 LYS 21 HE2 LYS 21 -20.978 -5.165 -14.761 173 HE3 LYS 21 HE3 LYS 21 -22.408 -6.088 -15.220 174 HZ1 LYS 21 HZ1 LYS 21 -22.515 -4.505 -12.759 175 HZ2 LYS 21 HZ2 LYS 21 -23.746 -4.872 -13.859 176 HZ3 LYS 21 HZ3 LYS 21 -22.603 -3.684 -14.236 177 H ARG 22 H ARG 22 -22.059 -9.266 -8.969 178 HA ARG 22 HA ARG 22 -23.110 -11.832 -9.114 179 HB2 ARG 22 HB2 ARG 22 -21.906 -12.282 -7.030 180 HB3 ARG 22 HB3 ARG 22 -20.921 -11.336 -8.138 181 HG2 ARG 22 HG2 ARG 22 -21.126 -9.399 -6.863 182 HG3 ARG 22 HG3 ARG 22 -22.531 -10.013 -5.990 183 HD2 ARG 22 HD2 ARG 22 -21.036 -10.454 -4.369 184 HD3 ARG 22 HD3 ARG 22 -20.675 -11.876 -5.346 185 HE ARG 22 HE ARG 22 -19.105 -9.709 -6.221 186 HH11 ARG 22 HH11 ARG 22 -19.425 -11.909 -3.541 187 HH12 ARG 22 HH12 ARG 22 -17.747 -11.840 -3.116 188 HH21 ARG 22 HH21 ARG 22 -16.894 -9.610 -5.670 189 HH22 ARG 22 HH22 ARG 22 -16.308 -10.532 -4.327 190 H LYS 23 H LYS 23 -24.202 -9.068 -7.323 191 HA LYS 23 HA LYS 23 -25.708 -10.267 -5.316 192 HB2 LYS 23 HB2 LYS 23 -25.215 -7.750 -5.848 193 HB3 LYS 23 HB3 LYS 23 -26.726 -7.837 -6.744 194 HG2 LYS 23 HG2 LYS 23 -27.342 -7.046 -4.644 195 HG3 LYS 23 HG3 LYS 23 -27.744 -8.764 -4.594 196 HD2 LYS 23 HD2 LYS 23 -26.653 -8.564 -2.595 197 HD3 LYS 23 HD3 LYS 23 -25.285 -8.948 -3.641 198 HE2 LYS 23 HE2 LYS 23 -24.672 -7.103 -2.242 199 HE3 LYS 23 HE3 LYS 23 -24.870 -6.508 -3.889 200 HZ1 LYS 23 HZ1 LYS 23 -26.075 -5.520 -1.628 201 HZ2 LYS 23 HZ2 LYS 23 -27.308 -6.350 -2.434 202 HZ3 LYS 23 HZ3 LYS 23 -26.454 -5.125 -3.228 203 H ARG 24 H ARG 24 -26.849 -9.178 -8.518 204 HA ARG 24 HA ARG 24 -29.236 -10.836 -8.190 205 HB2 ARG 24 HB2 ARG 24 -28.704 -9.026 -10.528 206 HB3 ARG 24 HB3 ARG 24 -30.248 -9.555 -9.874 207 HG2 ARG 24 HG2 ARG 24 -29.056 -8.180 -7.782 208 HG3 ARG 24 HG3 ARG 24 -28.659 -7.234 -9.219 209 HD2 ARG 24 HD2 ARG 24 -30.707 -6.363 -8.500 210 HD3 ARG 24 HD3 ARG 24 -31.135 -7.451 -9.821 211 HE ARG 24 HE ARG 24 -32.304 -8.722 -8.329 212 HH11 ARG 24 HH11 ARG 24 -30.072 -6.706 -6.575 213 HH12 ARG 24 HH12 ARG 24 -30.681 -7.162 -5.019 214 HH21 ARG 24 HH21 ARG 24 -33.114 -9.330 -6.286 215 HH22 ARG 24 HH22 ARG 24 -32.411 -8.655 -4.855 216 H GLN 25 H GLN 25 -27.119 -10.076 -10.959 217 HA GLN 25 HA GLN 25 -27.671 -12.607 -12.189 218 HB2 GLN 25 HB2 GLN 25 -26.767 -10.139 -13.074 219 HB3 GLN 25 HB3 GLN 25 -25.361 -11.181 -13.246 220 HG2 GLN 25 HG2 GLN 25 -27.908 -12.278 -14.236 221 HG3 GLN 25 HG3 GLN 25 -27.255 -10.901 -15.123 222 HE21 GLN 25 HE21 GLN 25 -27.557 -13.657 -15.978 223 HE22 GLN 25 HE22 GLN 25 -25.977 -14.211 -16.404 224 H GLN 26 H GLN 26 -25.832 -14.005 -12.973 225 HA GLN 26 HA GLN 26 -24.442 -15.057 -10.766 226 HB2 GLN 26 HB2 GLN 26 -25.127 -16.261 -12.901 227 HB3 GLN 26 HB3 GLN 26 -23.716 -15.529 -13.654 228 HG2 GLN 26 HG2 GLN 26 -22.233 -16.696 -12.231 229 HG3 GLN 26 HG3 GLN 26 -23.546 -17.214 -11.175 230 HE21 GLN 26 HE21 GLN 26 -21.442 -18.427 -13.186 231 HE22 GLN 26 HE22 GLN 26 -22.361 -19.674 -13.950 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.597 -4.583 -2.626 2 HA2 GLY 1 HA2 GLY 1 0.650 -3.396 -1.014 3 HA3 GLY 1 HA3 GLY 1 2.384 -3.235 -0.782 4 H ILE 2 H ILE 2 3.249 -1.277 -1.013 5 HA ILE 2 HA ILE 2 1.726 1.017 -1.354 6 HB ILE 2 HB ILE 2 4.683 0.717 -1.893 7 HG12 ILE 2 HG12 ILE 2 4.094 -0.071 0.340 8 HG13 ILE 2 HG13 ILE 2 4.951 1.463 0.446 9 HG21 ILE 2 HG21 ILE 2 3.834 2.790 -2.794 10 HG22 ILE 2 HG22 ILE 2 3.010 3.148 -1.278 11 HG23 ILE 2 HG23 ILE 2 4.772 3.123 -1.339 12 HD11 ILE 2 HD11 ILE 2 3.144 1.485 2.002 13 HD12 ILE 2 HD12 ILE 2 2.754 2.596 0.688 14 HD13 ILE 2 HD13 ILE 2 1.996 1.005 0.752 15 H GLY 3 H GLY 3 3.549 -0.852 -3.732 16 HA2 GLY 3 HA2 GLY 3 3.082 1.025 -5.861 17 HA3 GLY 3 HA3 GLY 3 3.773 -0.583 -6.019 18 H ALA 4 H ALA 4 1.255 -1.479 -4.433 19 HA ALA 4 HA ALA 4 -0.253 -2.194 -6.768 20 HB1 ALA 4 HB1 ALA 4 -0.567 -3.938 -5.415 21 HB2 ALA 4 HB2 ALA 4 -0.134 -3.010 -3.979 22 HB3 ALA 4 HB3 ALA 4 -1.781 -2.948 -4.605 23 H VAL 5 H VAL 5 -0.368 0.342 -4.460 24 HA VAL 5 HA VAL 5 -3.049 0.991 -4.316 25 HB VAL 5 HB VAL 5 -1.218 2.148 -3.080 26 HG11 VAL 5 HG11 VAL 5 0.160 3.748 -4.053 27 HG12 VAL 5 HG12 VAL 5 0.126 2.461 -5.260 28 HG13 VAL 5 HG13 VAL 5 -0.864 3.905 -5.480 29 HG21 VAL 5 HG21 VAL 5 -3.271 3.193 -2.833 30 HG22 VAL 5 HG22 VAL 5 -2.252 4.501 -3.434 31 HG23 VAL 5 HG23 VAL 5 -3.351 3.664 -4.531 32 H LEU 6 H LEU 6 -0.724 1.735 -6.871 33 HA LEU 6 HA LEU 6 -2.589 3.307 -8.386 34 HB2 LEU 6 HB2 LEU 6 -0.833 3.140 -10.166 35 HB3 LEU 6 HB3 LEU 6 -0.304 3.849 -8.642 36 HG LEU 6 HG LEU 6 0.204 1.002 -8.705 37 HD11 LEU 6 HD11 LEU 6 0.563 0.946 -10.966 38 HD12 LEU 6 HD12 LEU 6 2.158 1.437 -10.398 39 HD13 LEU 6 HD13 LEU 6 1.044 2.641 -11.046 40 HD21 LEU 6 HD21 LEU 6 1.645 3.541 -8.148 41 HD22 LEU 6 HD22 LEU 6 2.600 2.093 -8.465 42 HD23 LEU 6 HD23 LEU 6 1.438 2.110 -7.138 43 H LYS 7 H LYS 7 -1.577 -0.035 -8.300 44 HA LYS 7 HA LYS 7 -2.685 -0.798 -10.803 45 HB2 LYS 7 HB2 LYS 7 -1.737 -2.264 -8.370 46 HB3 LYS 7 HB3 LYS 7 -2.642 -3.133 -9.603 47 HG2 LYS 7 HG2 LYS 7 -0.587 -3.498 -10.440 48 HG3 LYS 7 HG3 LYS 7 -0.836 -1.905 -11.159 49 HD2 LYS 7 HD2 LYS 7 0.335 -0.875 -9.267 50 HD3 LYS 7 HD3 LYS 7 0.589 -2.472 -8.558 51 HE2 LYS 7 HE2 LYS 7 1.486 -2.146 -11.347 52 HE3 LYS 7 HE3 LYS 7 2.378 -1.216 -10.144 53 HZ1 LYS 7 HZ1 LYS 7 2.273 -4.088 -10.563 54 HZ2 LYS 7 HZ2 LYS 7 2.270 -3.585 -8.948 55 HZ3 LYS 7 HZ3 LYS 7 3.533 -3.123 -9.975 56 H VAL 8 H VAL 8 -3.848 -1.178 -7.457 57 HA VAL 8 HA VAL 8 -6.254 -2.425 -7.941 58 HB VAL 8 HB VAL 8 -7.092 -1.360 -5.868 59 HG11 VAL 8 HG11 VAL 8 -5.801 -3.336 -5.601 60 HG12 VAL 8 HG12 VAL 8 -4.289 -2.459 -5.844 61 HG13 VAL 8 HG13 VAL 8 -5.241 -2.190 -4.383 62 HG21 VAL 8 HG21 VAL 8 -5.816 0.250 -4.668 63 HG22 VAL 8 HG22 VAL 8 -4.465 0.113 -5.794 64 HG23 VAL 8 HG23 VAL 8 -5.979 0.849 -6.319 65 H LEU 9 H LEU 9 -5.355 0.867 -8.569 66 HA LEU 9 HA LEU 9 -7.804 2.149 -8.654 67 HB2 LEU 9 HB2 LEU 9 -5.556 2.554 -10.618 68 HB3 LEU 9 HB3 LEU 9 -6.801 3.720 -10.174 69 HG LEU 9 HG LEU 9 -4.486 2.764 -8.503 70 HD11 LEU 9 HD11 LEU 9 -4.317 5.383 -8.396 71 HD12 LEU 9 HD12 LEU 9 -5.234 5.284 -9.899 72 HD13 LEU 9 HD13 LEU 9 -3.667 4.486 -9.768 73 HD21 LEU 9 HD21 LEU 9 -5.411 4.327 -6.772 74 HD22 LEU 9 HD22 LEU 9 -6.333 2.841 -7.005 75 HD23 LEU 9 HD23 LEU 9 -6.912 4.357 -7.698 76 H THR 10 H THR 10 -6.334 -0.011 -11.002 77 HA THR 10 HA THR 10 -8.521 0.392 -12.885 78 HB THR 10 HB THR 10 -6.172 -1.497 -13.119 79 HG1 THR 10 HG1 THR 10 -5.497 0.699 -13.002 80 HG21 THR 10 HG21 THR 10 -7.370 -2.261 -14.854 81 HG22 THR 10 HG22 THR 10 -6.969 -0.735 -15.642 82 HG23 THR 10 HG23 THR 10 -8.498 -0.908 -14.780 83 H THR 11 H THR 11 -7.312 -2.007 -10.631 84 HA THR 11 HA THR 11 -8.971 -4.147 -11.473 85 HB THR 11 HB THR 11 -7.927 -3.795 -8.668 86 HG1 THR 11 HG1 THR 11 -6.465 -5.016 -10.767 87 HG21 THR 11 HG21 THR 11 -7.772 -6.246 -8.749 88 HG22 THR 11 HG22 THR 11 -8.415 -6.228 -10.391 89 HG23 THR 11 HG23 THR 11 -9.419 -5.691 -9.045 90 H GLY 12 H GLY 12 -9.537 -1.330 -9.571 91 HA2 GLY 12 HA2 GLY 12 -11.777 -2.326 -8.096 92 HA3 GLY 12 HA3 GLY 12 -11.328 -0.639 -8.293 93 H LEU 13 H LEU 13 -11.359 -1.158 -11.307 94 HA LEU 13 HA LEU 13 -13.949 -0.157 -11.789 95 HB2 LEU 13 HB2 LEU 13 -12.542 0.459 -13.461 96 HB3 LEU 13 HB3 LEU 13 -11.664 -1.068 -13.433 97 HG LEU 13 HG LEU 13 -13.530 -2.129 -14.653 98 HD11 LEU 13 HD11 LEU 13 -14.651 0.655 -14.547 99 HD12 LEU 13 HD12 LEU 13 -15.414 -0.858 -14.061 100 HD13 LEU 13 HD13 LEU 13 -15.144 -0.517 -15.770 101 HD21 LEU 13 HD21 LEU 13 -11.801 -1.502 -16.063 102 HD22 LEU 13 HD22 LEU 13 -12.073 0.221 -15.800 103 HD23 LEU 13 HD23 LEU 13 -13.198 -0.708 -16.791 104 HA PRO 14 HA PRO 14 -15.002 -4.550 -13.506 105 HB2 PRO 14 HB2 PRO 14 -13.241 -6.547 -12.975 106 HB3 PRO 14 HB3 PRO 14 -13.139 -5.536 -14.421 107 HG2 PRO 14 HG2 PRO 14 -11.610 -5.332 -11.855 108 HG3 PRO 14 HG3 PRO 14 -11.025 -5.172 -13.522 109 HD2 PRO 14 HD2 PRO 14 -11.531 -3.031 -11.943 110 HD3 PRO 14 HD3 PRO 14 -11.759 -2.994 -13.703 111 H ALA 15 H ALA 15 -13.370 -4.215 -10.429 112 HA ALA 15 HA ALA 15 -14.885 -6.325 -9.161 113 HB1 ALA 15 HB1 ALA 15 -13.420 -4.334 -7.528 114 HB2 ALA 15 HB2 ALA 15 -13.487 -6.091 -7.387 115 HB3 ALA 15 HB3 ALA 15 -12.470 -5.344 -8.619 116 H LEU 16 H LEU 16 -15.122 -2.886 -9.593 117 HA LEU 16 HA LEU 16 -16.823 -2.242 -7.461 118 HB2 LEU 16 HB2 LEU 16 -15.785 -0.490 -8.678 119 HB3 LEU 16 HB3 LEU 16 -16.481 -1.047 -10.199 120 HG LEU 16 HG LEU 16 -18.556 -0.375 -8.311 121 HD11 LEU 16 HD11 LEU 16 -17.296 1.237 -7.261 122 HD12 LEU 16 HD12 LEU 16 -18.003 2.156 -8.590 123 HD13 LEU 16 HD13 LEU 16 -16.339 1.584 -8.702 124 HD21 LEU 16 HD21 LEU 16 -19.055 1.251 -10.242 125 HD22 LEU 16 HD22 LEU 16 -19.137 -0.481 -10.563 126 HD23 LEU 16 HD23 LEU 16 -17.724 0.445 -11.071 127 H ILE 17 H ILE 17 -17.718 -2.805 -10.871 128 HA ILE 17 HA ILE 17 -20.498 -2.986 -10.296 129 HB ILE 17 HB ILE 17 -20.830 -3.495 -12.570 130 HG12 ILE 17 HG12 ILE 17 -19.153 -5.392 -12.570 131 HG13 ILE 17 HG13 ILE 17 -19.207 -4.434 -14.045 132 HG21 ILE 17 HG21 ILE 17 -20.012 -1.242 -12.221 133 HG22 ILE 17 HG22 ILE 17 -18.346 -1.800 -12.355 134 HG23 ILE 17 HG23 ILE 17 -19.413 -1.868 -13.757 135 HD11 ILE 17 HD11 ILE 17 -17.233 -3.180 -13.245 136 HD12 ILE 17 HD12 ILE 17 -17.153 -4.266 -11.857 137 HD13 ILE 17 HD13 ILE 17 -16.928 -4.900 -13.487 138 H SER 18 H SER 18 -17.887 -5.291 -10.454 139 HA SER 18 HA SER 18 -19.290 -7.666 -10.789 140 HB2 SER 18 HB2 SER 18 -16.937 -7.813 -10.876 141 HB3 SER 18 HB3 SER 18 -16.743 -7.012 -9.317 142 HG SER 18 HG SER 18 -17.220 -8.838 -8.294 143 H TRP 19 H TRP 19 -18.966 -5.615 -7.990 144 HA TRP 19 HA TRP 19 -19.815 -7.461 -6.029 145 HB2 TRP 19 HB2 TRP 19 -18.785 -5.006 -5.874 146 HB3 TRP 19 HB3 TRP 19 -20.486 -4.574 -5.724 147 HD1 TRP 19 HD1 TRP 19 -17.721 -6.508 -3.898 148 HE1 TRP 19 HE1 TRP 19 -18.431 -6.825 -1.444 149 HE3 TRP 19 HE3 TRP 19 -22.494 -4.700 -4.194 150 HZ2 TRP 19 HZ2 TRP 19 -20.713 -6.369 0.154 151 HZ3 TRP 19 HZ3 TRP 19 -23.874 -4.675 -2.157 152 HH2 TRP 19 HH2 TRP 19 -23.000 -5.494 -0.030 153 H ILE 20 H ILE 20 -21.607 -4.971 -7.838 154 HA ILE 20 HA ILE 20 -24.134 -5.732 -6.742 155 HB ILE 20 HB ILE 20 -23.805 -3.460 -7.518 156 HG12 ILE 20 HG12 ILE 20 -25.820 -3.215 -8.902 157 HG13 ILE 20 HG13 ILE 20 -25.779 -4.935 -9.277 158 HG21 ILE 20 HG21 ILE 20 -22.208 -3.822 -9.281 159 HG22 ILE 20 HG22 ILE 20 -23.400 -4.706 -10.232 160 HG23 ILE 20 HG23 ILE 20 -23.608 -2.979 -9.943 161 HD11 ILE 20 HD11 ILE 20 -25.924 -4.039 -6.437 162 HD12 ILE 20 HD12 ILE 20 -27.374 -4.049 -7.442 163 HD13 ILE 20 HD13 ILE 20 -26.477 -5.543 -7.172 164 H LYS 21 H LYS 21 -22.295 -6.594 -9.587 165 HA LYS 21 HA LYS 21 -24.334 -7.768 -11.111 166 HB2 LYS 21 HB2 LYS 21 -21.363 -8.201 -10.962 167 HB3 LYS 21 HB3 LYS 21 -22.366 -9.181 -12.023 168 HG2 LYS 21 HG2 LYS 21 -22.101 -6.183 -12.101 169 HG3 LYS 21 HG3 LYS 21 -21.380 -7.329 -13.234 170 HD2 LYS 21 HD2 LYS 21 -23.988 -8.063 -13.346 171 HD3 LYS 21 HD3 LYS 21 -24.142 -6.330 -13.046 172 HE2 LYS 21 HE2 LYS 21 -22.834 -5.813 -14.980 173 HE3 LYS 21 HE3 LYS 21 -22.413 -7.509 -15.215 174 HZ1 LYS 21 HZ1 LYS 21 -24.139 -6.844 -16.745 175 HZ2 LYS 21 HZ2 LYS 21 -25.128 -6.332 -15.472 176 HZ3 LYS 21 HZ3 LYS 21 -24.758 -7.973 -15.648 177 H ARG 22 H ARG 22 -22.009 -9.315 -8.891 178 HA ARG 22 HA ARG 22 -23.000 -11.904 -9.049 179 HB2 ARG 22 HB2 ARG 22 -21.901 -12.300 -6.903 180 HB3 ARG 22 HB3 ARG 22 -20.879 -11.335 -7.960 181 HG2 ARG 22 HG2 ARG 22 -21.211 -9.396 -6.715 182 HG3 ARG 22 HG3 ARG 22 -22.647 -10.044 -5.918 183 HD2 ARG 22 HD2 ARG 22 -21.394 -10.778 -4.239 184 HD3 ARG 22 HD3 ARG 22 -20.464 -11.773 -5.359 185 HE ARG 22 HE ARG 22 -19.684 -9.246 -4.216 186 HH11 ARG 22 HH11 ARG 22 -19.187 -11.510 -6.813 187 HH12 ARG 22 HH12 ARG 22 -17.582 -10.958 -7.161 188 HH21 ARG 22 HH21 ARG 22 -17.572 -8.511 -4.664 189 HH22 ARG 22 HH22 ARG 22 -16.664 -9.253 -5.938 190 H LYS 23 H LYS 23 -24.241 -9.135 -7.365 191 HA LYS 23 HA LYS 23 -25.849 -10.365 -5.444 192 HB2 LYS 23 HB2 LYS 23 -25.335 -7.873 -5.771 193 HB3 LYS 23 HB3 LYS 23 -26.652 -7.876 -6.937 194 HG2 LYS 23 HG2 LYS 23 -27.639 -7.148 -4.962 195 HG3 LYS 23 HG3 LYS 23 -28.075 -8.856 -5.051 196 HD2 LYS 23 HD2 LYS 23 -27.397 -8.577 -2.838 197 HD3 LYS 23 HD3 LYS 23 -25.969 -9.251 -3.626 198 HE2 LYS 23 HE2 LYS 23 -24.868 -7.184 -3.648 199 HE3 LYS 23 HE3 LYS 23 -26.358 -6.287 -3.358 200 HZ1 LYS 23 HZ1 LYS 23 -26.152 -7.910 -1.189 201 HZ2 LYS 23 HZ2 LYS 23 -25.722 -6.275 -1.239 202 HZ3 LYS 23 HZ3 LYS 23 -24.545 -7.466 -1.477 203 H ARG 24 H ARG 24 -26.812 -9.204 -8.679 204 HA ARG 24 HA ARG 24 -29.246 -10.799 -8.519 205 HB2 ARG 24 HB2 ARG 24 -28.438 -9.111 -10.870 206 HB3 ARG 24 HB3 ARG 24 -30.054 -9.549 -10.333 207 HG2 ARG 24 HG2 ARG 24 -28.977 -8.137 -8.201 208 HG3 ARG 24 HG3 ARG 24 -28.433 -7.267 -9.636 209 HD2 ARG 24 HD2 ARG 24 -30.516 -6.321 -9.025 210 HD3 ARG 24 HD3 ARG 24 -30.819 -7.330 -10.439 211 HE ARG 24 HE ARG 24 -32.138 -8.691 -9.148 212 HH11 ARG 24 HH11 ARG 24 -30.268 -6.601 -7.085 213 HH12 ARG 24 HH12 ARG 24 -31.116 -7.050 -5.643 214 HH21 ARG 24 HH21 ARG 24 -33.262 -9.290 -7.255 215 HH22 ARG 24 HH22 ARG 24 -32.818 -8.580 -5.740 216 H GLN 25 H GLN 25 -26.875 -10.245 -11.127 217 HA GLN 25 HA GLN 25 -27.412 -12.861 -12.222 218 HB2 GLN 25 HB2 GLN 25 -26.613 -10.472 -13.311 219 HB3 GLN 25 HB3 GLN 25 -25.114 -11.391 -13.301 220 HG2 GLN 25 HG2 GLN 25 -26.829 -13.229 -14.300 221 HG3 GLN 25 HG3 GLN 25 -27.535 -11.737 -14.919 222 HE21 GLN 25 HE21 GLN 25 -26.127 -10.308 -16.131 223 HE22 GLN 25 HE22 GLN 25 -24.840 -10.983 -17.065 224 H GLN 26 H GLN 26 -25.156 -13.895 -13.114 225 HA GLN 26 HA GLN 26 -23.975 -15.051 -10.813 226 HB2 GLN 26 HB2 GLN 26 -23.518 -15.250 -13.759 227 HB3 GLN 26 HB3 GLN 26 -22.305 -15.904 -12.667 228 HG2 GLN 26 HG2 GLN 26 -25.213 -16.655 -12.554 229 HG3 GLN 26 HG3 GLN 26 -24.010 -17.538 -13.492 230 HE21 GLN 26 HE21 GLN 26 -25.611 -18.514 -11.315 231 HE22 GLN 26 HE22 GLN 26 -24.519 -19.021 -10.076 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -1.316 -4.338 -0.844 2 HA2 GLY 1 HA2 GLY 1 0.770 -3.472 -0.262 3 HA3 GLY 1 HA3 GLY 1 1.124 -4.078 -1.873 4 H ILE 2 H ILE 2 2.699 -2.122 -1.097 5 HA ILE 2 HA ILE 2 1.838 0.516 -1.434 6 HB ILE 2 HB ILE 2 4.565 -0.626 -2.049 7 HG12 ILE 2 HG12 ILE 2 3.881 -1.106 0.243 8 HG13 ILE 2 HG13 ILE 2 5.133 0.130 0.235 9 HG21 ILE 2 HG21 ILE 2 4.839 1.432 -2.928 10 HG22 ILE 2 HG22 ILE 2 3.466 2.106 -2.051 11 HG23 ILE 2 HG23 ILE 2 5.018 1.902 -1.238 12 HD11 ILE 2 HD11 ILE 2 3.451 0.707 1.839 13 HD12 ILE 2 HD12 ILE 2 3.373 1.845 0.493 14 HD13 ILE 2 HD13 ILE 2 2.181 0.552 0.624 15 H GLY 3 H GLY 3 3.224 -1.756 -3.795 16 HA2 GLY 3 HA2 GLY 3 2.974 0.112 -5.968 17 HA3 GLY 3 HA3 GLY 3 3.430 -1.580 -6.093 18 H ALA 4 H ALA 4 0.849 -2.073 -4.433 19 HA ALA 4 HA ALA 4 -0.798 -2.631 -6.716 20 HB1 ALA 4 HB1 ALA 4 -2.346 -3.073 -4.457 21 HB2 ALA 4 HB2 ALA 4 -1.377 -4.266 -5.323 22 HB3 ALA 4 HB3 ALA 4 -0.697 -3.418 -3.934 23 H VAL 5 H VAL 5 -0.505 -0.043 -4.484 24 HA VAL 5 HA VAL 5 -3.065 0.980 -4.311 25 HB VAL 5 HB VAL 5 -1.065 1.899 -3.140 26 HG11 VAL 5 HG11 VAL 5 0.260 1.965 -5.355 27 HG12 VAL 5 HG12 VAL 5 -0.517 3.532 -5.590 28 HG13 VAL 5 HG13 VAL 5 0.507 3.256 -4.181 29 HG21 VAL 5 HG21 VAL 5 -1.878 4.130 -3.031 30 HG22 VAL 5 HG22 VAL 5 -2.558 4.031 -4.655 31 HG23 VAL 5 HG23 VAL 5 -3.270 3.093 -3.343 32 H LEU 6 H LEU 6 -0.713 1.324 -6.925 33 HA LEU 6 HA LEU 6 -2.371 3.102 -8.452 34 HB2 LEU 6 HB2 LEU 6 -0.693 2.651 -10.255 35 HB3 LEU 6 HB3 LEU 6 -0.036 3.310 -8.758 36 HG LEU 6 HG LEU 6 0.063 0.420 -8.761 37 HD11 LEU 6 HD11 LEU 6 0.884 1.819 -11.212 38 HD12 LEU 6 HD12 LEU 6 0.484 0.122 -10.949 39 HD13 LEU 6 HD13 LEU 6 2.085 0.726 -10.524 40 HD21 LEU 6 HD21 LEU 6 1.475 1.376 -7.245 41 HD22 LEU 6 HD22 LEU 6 1.860 2.741 -8.294 42 HD23 LEU 6 HD23 LEU 6 2.593 1.165 -8.593 43 H LYS 7 H LYS 7 -1.823 -0.346 -8.297 44 HA LYS 7 HA LYS 7 -3.079 -1.011 -10.756 45 HB2 LYS 7 HB2 LYS 7 -2.296 -2.530 -8.298 46 HB3 LYS 7 HB3 LYS 7 -3.339 -3.297 -9.489 47 HG2 LYS 7 HG2 LYS 7 -1.376 -3.967 -10.355 48 HG3 LYS 7 HG3 LYS 7 -1.411 -2.372 -11.110 49 HD2 LYS 7 HD2 LYS 7 -0.059 -1.474 -9.282 50 HD3 LYS 7 HD3 LYS 7 -0.036 -3.062 -8.512 51 HE2 LYS 7 HE2 LYS 7 1.075 -3.965 -10.543 52 HE3 LYS 7 HE3 LYS 7 1.150 -2.325 -11.186 53 HZ1 LYS 7 HZ1 LYS 7 2.217 -2.189 -8.648 54 HZ2 LYS 7 HZ2 LYS 7 3.060 -2.107 -10.112 55 HZ3 LYS 7 HZ3 LYS 7 2.873 -3.594 -9.326 56 H VAL 8 H VAL 8 -4.218 -1.134 -7.383 57 HA VAL 8 HA VAL 8 -6.784 -2.047 -7.793 58 HB VAL 8 HB VAL 8 -7.425 -0.828 -5.737 59 HG11 VAL 8 HG11 VAL 8 -4.808 -2.312 -5.748 60 HG12 VAL 8 HG12 VAL 8 -5.647 -1.854 -4.265 61 HG13 VAL 8 HG13 VAL 8 -6.419 -2.947 -5.415 62 HG21 VAL 8 HG21 VAL 8 -4.622 0.271 -5.733 63 HG22 VAL 8 HG22 VAL 8 -6.022 1.195 -6.278 64 HG23 VAL 8 HG23 VAL 8 -5.932 0.634 -4.609 65 H LEU 9 H LEU 9 -5.444 1.059 -8.547 66 HA LEU 9 HA LEU 9 -7.698 2.669 -8.625 67 HB2 LEU 9 HB2 LEU 9 -5.443 2.718 -10.621 68 HB3 LEU 9 HB3 LEU 9 -6.512 4.052 -10.194 69 HG LEU 9 HG LEU 9 -4.327 2.829 -8.522 70 HD11 LEU 9 HD11 LEU 9 -4.710 5.339 -10.043 71 HD12 LEU 9 HD12 LEU 9 -3.249 4.393 -9.759 72 HD13 LEU 9 HD13 LEU 9 -3.874 5.452 -8.494 73 HD21 LEU 9 HD21 LEU 9 -6.504 4.755 -7.737 74 HD22 LEU 9 HD22 LEU 9 -5.008 4.552 -6.826 75 HD23 LEU 9 HD23 LEU 9 -6.122 3.196 -7.007 76 H THR 10 H THR 10 -6.363 0.639 -11.226 77 HA THR 10 HA THR 10 -8.684 1.130 -12.893 78 HB THR 10 HB THR 10 -6.502 0.983 -13.974 79 HG1 THR 10 HG1 THR 10 -8.474 0.140 -15.017 80 HG21 THR 10 HG21 THR 10 -5.296 -1.156 -14.083 81 HG22 THR 10 HG22 THR 10 -6.460 -1.864 -12.963 82 HG23 THR 10 HG23 THR 10 -5.405 -0.556 -12.429 83 H THR 11 H THR 11 -7.381 -1.417 -10.871 84 HA THR 11 HA THR 11 -9.069 -3.506 -11.754 85 HB THR 11 HB THR 11 -8.102 -3.392 -8.923 86 HG1 THR 11 HG1 THR 11 -6.089 -3.259 -9.542 87 HG21 THR 11 HG21 THR 11 -9.268 -5.340 -10.490 88 HG22 THR 11 HG22 THR 11 -8.372 -5.615 -8.995 89 HG23 THR 11 HG23 THR 11 -7.553 -5.746 -10.551 90 H GLY 12 H GLY 12 -9.621 -0.767 -9.754 91 HA2 GLY 12 HA2 GLY 12 -11.805 -1.829 -8.244 92 HA3 GLY 12 HA3 GLY 12 -11.390 -0.130 -8.419 93 H LEU 13 H LEU 13 -11.494 -0.558 -11.435 94 HA LEU 13 HA LEU 13 -14.122 0.384 -11.819 95 HB2 LEU 13 HB2 LEU 13 -12.776 1.097 -13.503 96 HB3 LEU 13 HB3 LEU 13 -11.855 -0.405 -13.548 97 HG LEU 13 HG LEU 13 -13.722 -1.477 -14.758 98 HD11 LEU 13 HD11 LEU 13 -15.664 -0.371 -14.196 99 HD12 LEU 13 HD12 LEU 13 -15.343 0.266 -15.808 100 HD13 LEU 13 HD13 LEU 13 -14.938 1.225 -14.385 101 HD21 LEU 13 HD21 LEU 13 -13.403 -0.242 -16.885 102 HD22 LEU 13 HD22 LEU 13 -11.894 -0.582 -16.037 103 HD23 LEU 13 HD23 LEU 13 -12.592 1.037 -15.980 104 HA PRO 14 HA PRO 14 -15.093 -3.978 -13.658 105 HB2 PRO 14 HB2 PRO 14 -13.264 -5.940 -13.237 106 HB3 PRO 14 HB3 PRO 14 -13.227 -4.879 -14.650 107 HG2 PRO 14 HG2 PRO 14 -11.641 -4.715 -12.116 108 HG3 PRO 14 HG3 PRO 14 -11.103 -4.483 -13.789 109 HD2 PRO 14 HD2 PRO 14 -11.629 -2.411 -12.128 110 HD3 PRO 14 HD3 PRO 14 -11.902 -2.324 -13.880 111 H ALA 15 H ALA 15 -13.398 -3.695 -10.611 112 HA ALA 15 HA ALA 15 -14.822 -5.889 -9.380 113 HB1 ALA 15 HB1 ALA 15 -13.420 -5.642 -7.595 114 HB2 ALA 15 HB2 ALA 15 -12.424 -4.919 -8.858 115 HB3 ALA 15 HB3 ALA 15 -13.338 -3.888 -7.758 116 H LEU 16 H LEU 16 -15.162 -2.445 -9.687 117 HA LEU 16 HA LEU 16 -16.826 -1.920 -7.495 118 HB2 LEU 16 HB2 LEU 16 -15.869 -0.101 -8.678 119 HB3 LEU 16 HB3 LEU 16 -16.586 -0.627 -10.199 120 HG LEU 16 HG LEU 16 -18.631 -0.076 -8.239 121 HD11 LEU 16 HD11 LEU 16 -18.310 2.277 -7.951 122 HD12 LEU 16 HD12 LEU 16 -16.845 2.249 -8.933 123 HD13 LEU 16 HD13 LEU 16 -16.869 1.448 -7.362 124 HD21 LEU 16 HD21 LEU 16 -17.895 0.821 -10.999 125 HD22 LEU 16 HD22 LEU 16 -19.199 1.614 -10.114 126 HD23 LEU 16 HD23 LEU 16 -19.291 -0.113 -10.461 127 H ILE 17 H ILE 17 -17.792 -2.397 -10.899 128 HA ILE 17 HA ILE 17 -20.551 -2.672 -10.266 129 HB ILE 17 HB ILE 17 -20.923 -3.123 -12.547 130 HG12 ILE 17 HG12 ILE 17 -19.195 -4.972 -12.642 131 HG13 ILE 17 HG13 ILE 17 -19.311 -3.973 -14.086 132 HG21 ILE 17 HG21 ILE 17 -20.160 -0.860 -12.150 133 HG22 ILE 17 HG22 ILE 17 -18.482 -1.367 -12.336 134 HG23 ILE 17 HG23 ILE 17 -19.578 -1.423 -13.716 135 HD11 ILE 17 HD11 ILE 17 -17.210 -3.811 -11.941 136 HD12 ILE 17 HD12 ILE 17 -17.007 -4.388 -13.596 137 HD13 ILE 17 HD13 ILE 17 -17.355 -2.686 -13.292 138 H SER 18 H SER 18 -17.884 -4.900 -10.553 139 HA SER 18 HA SER 18 -19.262 -7.299 -10.910 140 HB2 SER 18 HB2 SER 18 -16.906 -7.372 -11.131 141 HB3 SER 18 HB3 SER 18 -16.653 -6.648 -9.542 142 HG SER 18 HG SER 18 -16.322 -8.975 -9.673 143 H TRP 19 H TRP 19 -18.819 -5.324 -8.071 144 HA TRP 19 HA TRP 19 -19.498 -7.228 -6.111 145 HB2 TRP 19 HB2 TRP 19 -18.444 -5.055 -5.597 146 HB3 TRP 19 HB3 TRP 19 -19.933 -4.234 -6.058 147 HD1 TRP 19 HD1 TRP 19 -22.099 -4.670 -4.426 148 HE1 TRP 19 HE1 TRP 19 -22.188 -5.151 -1.899 149 HE3 TRP 19 HE3 TRP 19 -17.258 -6.150 -3.712 150 HZ2 TRP 19 HZ2 TRP 19 -20.437 -6.039 0.129 151 HZ3 TRP 19 HZ3 TRP 19 -16.545 -6.799 -1.448 152 HH2 TRP 19 HH2 TRP 19 -18.103 -6.743 0.431 153 H ILE 20 H ILE 20 -21.497 -4.797 -7.777 154 HA ILE 20 HA ILE 20 -23.924 -5.692 -6.563 155 HB ILE 20 HB ILE 20 -23.746 -3.397 -7.314 156 HG12 ILE 20 HG12 ILE 20 -25.725 -4.840 -9.085 157 HG13 ILE 20 HG13 ILE 20 -25.963 -4.584 -7.360 158 HG21 ILE 20 HG21 ILE 20 -23.696 -2.868 -9.737 159 HG22 ILE 20 HG22 ILE 20 -22.224 -3.645 -9.157 160 HG23 ILE 20 HG23 ILE 20 -23.413 -4.576 -10.067 161 HD11 ILE 20 HD11 ILE 20 -26.718 -2.898 -9.428 162 HD12 ILE 20 HD12 ILE 20 -26.715 -2.532 -7.702 163 HD13 ILE 20 HD13 ILE 20 -25.319 -2.115 -8.695 164 H LYS 21 H LYS 21 -22.202 -6.424 -9.516 165 HA LYS 21 HA LYS 21 -24.268 -7.672 -10.946 166 HB2 LYS 21 HB2 LYS 21 -21.275 -7.948 -10.980 167 HB3 LYS 21 HB3 LYS 21 -22.285 -8.967 -11.997 168 HG2 LYS 21 HG2 LYS 21 -22.184 -5.957 -12.040 169 HG3 LYS 21 HG3 LYS 21 -21.476 -7.048 -13.233 170 HD2 LYS 21 HD2 LYS 21 -24.054 -7.911 -13.184 171 HD3 LYS 21 HD3 LYS 21 -24.262 -6.186 -12.872 172 HE2 LYS 21 HE2 LYS 21 -24.334 -6.304 -15.187 173 HE3 LYS 21 HE3 LYS 21 -22.655 -5.871 -14.872 174 HZ1 LYS 21 HZ1 LYS 21 -22.958 -7.667 -16.537 175 HZ2 LYS 21 HZ2 LYS 21 -23.584 -8.654 -15.314 176 HZ3 LYS 21 HZ3 LYS 21 -21.984 -8.112 -15.227 177 H ARG 22 H ARG 22 -21.743 -9.129 -8.891 178 HA ARG 22 HA ARG 22 -22.603 -11.765 -9.044 179 HB2 ARG 22 HB2 ARG 22 -21.362 -12.139 -6.975 180 HB3 ARG 22 HB3 ARG 22 -20.456 -11.095 -8.063 181 HG2 ARG 22 HG2 ARG 22 -20.822 -9.206 -6.754 182 HG3 ARG 22 HG3 ARG 22 -22.178 -9.946 -5.901 183 HD2 ARG 22 HD2 ARG 22 -20.554 -10.132 -4.302 184 HD3 ARG 22 HD3 ARG 22 -20.327 -11.662 -5.148 185 HE ARG 22 HE ARG 22 -18.710 -9.561 -6.219 186 HH11 ARG 22 HH11 ARG 22 -18.942 -11.937 -3.685 187 HH12 ARG 22 HH12 ARG 22 -17.229 -12.038 -3.445 188 HH21 ARG 22 HH21 ARG 22 -16.453 -9.685 -5.912 189 HH22 ARG 22 HH22 ARG 22 -15.814 -10.756 -4.711 190 H LYS 23 H LYS 23 -23.893 -9.094 -7.244 191 HA LYS 23 HA LYS 23 -25.298 -10.373 -5.227 192 HB2 LYS 23 HB2 LYS 23 -25.042 -7.854 -5.734 193 HB3 LYS 23 HB3 LYS 23 -26.458 -8.057 -6.757 194 HG2 LYS 23 HG2 LYS 23 -27.810 -8.681 -4.909 195 HG3 LYS 23 HG3 LYS 23 -26.406 -8.820 -3.849 196 HD2 LYS 23 HD2 LYS 23 -26.187 -6.549 -3.615 197 HD3 LYS 23 HD3 LYS 23 -26.927 -6.208 -5.180 198 HE2 LYS 23 HE2 LYS 23 -28.393 -5.506 -3.375 199 HE3 LYS 23 HE3 LYS 23 -29.115 -6.842 -4.271 200 HZ1 LYS 23 HZ1 LYS 23 -28.767 -6.714 -1.567 201 HZ2 LYS 23 HZ2 LYS 23 -27.531 -7.750 -2.076 202 HZ3 LYS 23 HZ3 LYS 23 -29.140 -8.102 -2.458 203 H ARG 24 H ARG 24 -26.513 -9.503 -8.468 204 HA ARG 24 HA ARG 24 -28.743 -11.362 -8.087 205 HB2 ARG 24 HB2 ARG 24 -28.390 -9.576 -10.475 206 HB3 ARG 24 HB3 ARG 24 -29.875 -10.223 -9.791 207 HG2 ARG 24 HG2 ARG 24 -28.811 -8.686 -7.749 208 HG3 ARG 24 HG3 ARG 24 -28.492 -7.752 -9.212 209 HD2 ARG 24 HD2 ARG 24 -30.603 -7.024 -8.578 210 HD3 ARG 24 HD3 ARG 24 -30.955 -8.249 -9.795 211 HE ARG 24 HE ARG 24 -30.910 -9.277 -7.114 212 HH11 ARG 24 HH11 ARG 24 -32.854 -7.717 -9.545 213 HH12 ARG 24 HH12 ARG 24 -34.357 -8.274 -8.886 214 HH21 ARG 24 HH21 ARG 24 -32.882 -10.016 -6.238 215 HH22 ARG 24 HH22 ARG 24 -34.372 -9.581 -7.005 216 H GLN 25 H GLN 25 -26.708 -10.474 -10.879 217 HA GLN 25 HA GLN 25 -26.980 -13.128 -11.976 218 HB2 GLN 25 HB2 GLN 25 -26.298 -10.535 -12.962 219 HB3 GLN 25 HB3 GLN 25 -24.999 -11.646 -13.374 220 HG2 GLN 25 HG2 GLN 25 -27.915 -12.016 -14.026 221 HG3 GLN 25 HG3 GLN 25 -26.653 -11.512 -15.149 222 HE21 GLN 25 HE21 GLN 25 -25.182 -13.014 -15.904 223 HE22 GLN 25 HE22 GLN 25 -25.410 -14.715 -15.713 224 H GLN 26 H GLN 26 -24.889 -14.144 -12.898 225 HA GLN 26 HA GLN 26 -23.189 -14.709 -10.649 226 HB2 GLN 26 HB2 GLN 26 -23.290 -15.736 -13.480 227 HB3 GLN 26 HB3 GLN 26 -22.040 -16.232 -12.347 228 HG2 GLN 26 HG2 GLN 26 -23.861 -16.997 -10.812 229 HG3 GLN 26 HG3 GLN 26 -25.002 -16.684 -12.118 230 HE21 GLN 26 HE21 GLN 26 -24.835 -19.174 -11.071 231 HE22 GLN 26 HE22 GLN 26 -24.100 -20.253 -12.202 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.026 -4.154 -0.550 2 HA2 GLY 1 HA2 GLY 1 2.098 -3.336 -1.062 3 HA3 GLY 1 HA3 GLY 1 1.520 -3.734 -2.673 4 H ILE 2 H ILE 2 3.334 -1.583 -1.590 5 HA ILE 2 HA ILE 2 2.099 0.923 -1.761 6 HB ILE 2 HB ILE 2 4.941 0.205 -2.488 7 HG12 ILE 2 HG12 ILE 2 4.384 -0.465 -0.207 8 HG13 ILE 2 HG13 ILE 2 5.461 0.927 -0.184 9 HG21 ILE 2 HG21 ILE 2 5.262 2.660 -1.745 10 HG22 ILE 2 HG22 ILE 2 4.640 2.332 -3.362 11 HG23 ILE 2 HG23 ILE 2 3.536 2.815 -2.074 12 HD11 ILE 2 HD11 ILE 2 2.493 0.931 0.293 13 HD12 ILE 2 HD12 ILE 2 3.767 1.214 1.479 14 HD13 ILE 2 HD13 ILE 2 3.493 2.379 0.183 15 H GLY 3 H GLY 3 3.728 -1.008 -4.266 16 HA2 GLY 3 HA2 GLY 3 3.152 0.909 -6.333 17 HA3 GLY 3 HA3 GLY 3 3.843 -0.691 -6.555 18 H ALA 4 H ALA 4 1.407 -1.635 -4.872 19 HA ALA 4 HA ALA 4 -0.206 -2.311 -7.147 20 HB1 ALA 4 HB1 ALA 4 -1.605 -3.081 -4.874 21 HB2 ALA 4 HB2 ALA 4 -0.515 -4.080 -5.836 22 HB3 ALA 4 HB3 ALA 4 0.094 -3.221 -4.421 23 H VAL 5 H VAL 5 -0.225 0.176 -4.785 24 HA VAL 5 HA VAL 5 -2.900 0.807 -4.503 25 HB VAL 5 HB VAL 5 -1.019 1.948 -3.329 26 HG11 VAL 5 HG11 VAL 5 -0.788 3.747 -5.715 27 HG12 VAL 5 HG12 VAL 5 0.298 3.586 -4.333 28 HG13 VAL 5 HG13 VAL 5 0.227 2.314 -5.553 29 HG21 VAL 5 HG21 VAL 5 -3.281 2.846 -3.234 30 HG22 VAL 5 HG22 VAL 5 -2.094 4.150 -3.247 31 HG23 VAL 5 HG23 VAL 5 -2.994 3.761 -4.713 32 H LEU 6 H LEU 6 -0.701 1.617 -7.147 33 HA LEU 6 HA LEU 6 -2.641 3.209 -8.540 34 HB2 LEU 6 HB2 LEU 6 -0.970 3.090 -10.403 35 HB3 LEU 6 HB3 LEU 6 -0.373 3.769 -8.890 36 HG LEU 6 HG LEU 6 0.144 0.928 -9.038 37 HD11 LEU 6 HD11 LEU 6 0.391 0.929 -11.318 38 HD12 LEU 6 HD12 LEU 6 2.013 1.401 -10.811 39 HD13 LEU 6 HD13 LEU 6 0.876 2.624 -11.377 40 HD21 LEU 6 HD21 LEU 6 1.593 3.462 -8.488 41 HD22 LEU 6 HD22 LEU 6 2.545 2.033 -8.891 42 HD23 LEU 6 HD23 LEU 6 1.450 2.003 -7.508 43 H LYS 7 H LYS 7 -1.608 -0.128 -8.572 44 HA LYS 7 HA LYS 7 -2.827 -0.846 -11.037 45 HB2 LYS 7 HB2 LYS 7 -1.760 -2.355 -8.682 46 HB3 LYS 7 HB3 LYS 7 -2.716 -3.204 -9.889 47 HG2 LYS 7 HG2 LYS 7 -0.702 -3.539 -10.829 48 HG3 LYS 7 HG3 LYS 7 -0.992 -1.933 -11.501 49 HD2 LYS 7 HD2 LYS 7 0.263 -0.936 -9.648 50 HD3 LYS 7 HD3 LYS 7 0.553 -2.544 -8.980 51 HE2 LYS 7 HE2 LYS 7 2.058 -3.101 -10.620 52 HE3 LYS 7 HE3 LYS 7 1.339 -2.007 -11.801 53 HZ1 LYS 7 HZ1 LYS 7 2.267 -0.375 -9.809 54 HZ2 LYS 7 HZ2 LYS 7 2.991 -0.627 -11.317 55 HZ3 LYS 7 HZ3 LYS 7 3.481 -1.541 -9.980 56 H VAL 8 H VAL 8 -3.832 -1.302 -7.649 57 HA VAL 8 HA VAL 8 -6.251 -2.554 -8.047 58 HB VAL 8 HB VAL 8 -6.998 -1.538 -5.916 59 HG11 VAL 8 HG11 VAL 8 -4.193 -2.623 -6.052 60 HG12 VAL 8 HG12 VAL 8 -5.066 -2.382 -4.537 61 HG13 VAL 8 HG13 VAL 8 -5.687 -3.509 -5.744 62 HG21 VAL 8 HG21 VAL 8 -5.921 0.686 -6.372 63 HG22 VAL 8 HG22 VAL 8 -5.678 0.057 -4.742 64 HG23 VAL 8 HG23 VAL 8 -4.380 -0.049 -5.931 65 H LEU 9 H LEU 9 -5.399 0.755 -8.649 66 HA LEU 9 HA LEU 9 -7.857 2.022 -8.593 67 HB2 LEU 9 HB2 LEU 9 -5.704 2.485 -10.648 68 HB3 LEU 9 HB3 LEU 9 -6.935 3.632 -10.123 69 HG LEU 9 HG LEU 9 -4.539 2.656 -8.580 70 HD11 LEU 9 HD11 LEU 9 -5.409 5.438 -9.342 71 HD12 LEU 9 HD12 LEU 9 -4.230 4.481 -10.236 72 HD13 LEU 9 HD13 LEU 9 -3.893 4.964 -8.574 73 HD21 LEU 9 HD21 LEU 9 -6.937 4.212 -7.633 74 HD22 LEU 9 HD22 LEU 9 -5.395 4.181 -6.777 75 HD23 LEU 9 HD23 LEU 9 -6.313 2.690 -6.997 76 H THR 10 H THR 10 -6.485 -0.079 -11.050 77 HA THR 10 HA THR 10 -8.755 0.351 -12.825 78 HB THR 10 HB THR 10 -6.464 -1.573 -13.232 79 HG1 THR 10 HG1 THR 10 -5.303 0.186 -13.424 80 HG21 THR 10 HG21 THR 10 -8.304 -0.215 -15.206 81 HG22 THR 10 HG22 THR 10 -8.469 -1.881 -14.651 82 HG23 THR 10 HG23 THR 10 -7.049 -1.396 -15.578 83 H THR 11 H THR 11 -7.442 -2.083 -10.670 84 HA THR 11 HA THR 11 -9.130 -4.214 -11.482 85 HB THR 11 HB THR 11 -8.076 -4.008 -8.684 86 HG1 THR 11 HG1 THR 11 -6.050 -4.163 -9.347 87 HG21 THR 11 HG21 THR 11 -7.789 -6.381 -8.905 88 HG22 THR 11 HG22 THR 11 -8.128 -6.310 -10.634 89 HG23 THR 11 HG23 THR 11 -9.408 -5.974 -9.470 90 H GLY 12 H GLY 12 -9.614 -1.441 -9.493 91 HA2 GLY 12 HA2 GLY 12 -11.787 -2.477 -7.946 92 HA3 GLY 12 HA3 GLY 12 -11.346 -0.785 -8.118 93 H LEU 13 H LEU 13 -11.510 -1.237 -11.143 94 HA LEU 13 HA LEU 13 -14.115 -0.219 -11.485 95 HB2 LEU 13 HB2 LEU 13 -12.782 0.432 -13.205 96 HB3 LEU 13 HB3 LEU 13 -11.908 -1.098 -13.249 97 HG LEU 13 HG LEU 13 -13.829 -2.127 -14.410 98 HD11 LEU 13 HD11 LEU 13 -15.807 -1.135 -14.608 99 HD12 LEU 13 HD12 LEU 13 -15.080 0.350 -15.221 100 HD13 LEU 13 HD13 LEU 13 -15.218 0.089 -13.482 101 HD21 LEU 13 HD21 LEU 13 -13.471 -1.027 -16.557 102 HD22 LEU 13 HD22 LEU 13 -11.951 -1.214 -15.682 103 HD23 LEU 13 HD23 LEU 13 -12.750 0.358 -15.737 104 HA PRO 14 HA PRO 14 -15.256 -4.570 -13.252 105 HB2 PRO 14 HB2 PRO 14 -13.480 -6.582 -12.844 106 HB3 PRO 14 HB3 PRO 14 -13.438 -5.539 -14.270 107 HG2 PRO 14 HG2 PRO 14 -11.797 -5.396 -11.770 108 HG3 PRO 14 HG3 PRO 14 -11.286 -5.200 -13.457 109 HD2 PRO 14 HD2 PRO 14 -11.715 -3.094 -11.811 110 HD3 PRO 14 HD3 PRO 14 -12.021 -3.018 -13.558 111 H ALA 15 H ALA 15 -13.489 -4.308 -10.243 112 HA ALA 15 HA ALA 15 -14.954 -6.442 -8.958 113 HB1 ALA 15 HB1 ALA 15 -13.426 -4.504 -7.328 114 HB2 ALA 15 HB2 ALA 15 -13.465 -6.266 -7.260 115 HB3 ALA 15 HB3 ALA 15 -12.513 -5.453 -8.502 116 H LEU 16 H LEU 16 -15.197 -2.993 -9.301 117 HA LEU 16 HA LEU 16 -16.800 -2.393 -7.081 118 HB2 LEU 16 HB2 LEU 16 -15.813 -0.615 -8.299 119 HB3 LEU 16 HB3 LEU 16 -16.569 -1.137 -9.803 120 HG LEU 16 HG LEU 16 -18.558 -0.498 -7.806 121 HD11 LEU 16 HD11 LEU 16 -18.086 2.000 -7.961 122 HD12 LEU 16 HD12 LEU 16 -16.439 1.545 -8.395 123 HD13 LEU 16 HD13 LEU 16 -17.105 1.063 -6.835 124 HD21 LEU 16 HD21 LEU 16 -19.264 -0.577 -10.017 125 HD22 LEU 16 HD22 LEU 16 -17.869 0.329 -10.602 126 HD23 LEU 16 HD23 LEU 16 -19.142 1.153 -9.701 127 H ILE 17 H ILE 17 -17.846 -2.875 -10.461 128 HA ILE 17 HA ILE 17 -20.599 -3.060 -9.769 129 HB ILE 17 HB ILE 17 -21.032 -3.517 -12.038 130 HG12 ILE 17 HG12 ILE 17 -19.367 -5.420 -12.152 131 HG13 ILE 17 HG13 ILE 17 -19.479 -4.429 -13.603 132 HG21 ILE 17 HG21 ILE 17 -19.659 -1.871 -13.250 133 HG22 ILE 17 HG22 ILE 17 -20.190 -1.276 -11.678 134 HG23 ILE 17 HG23 ILE 17 -18.532 -1.837 -11.895 135 HD11 ILE 17 HD11 ILE 17 -17.332 -4.317 -11.501 136 HD12 ILE 17 HD12 ILE 17 -17.181 -4.916 -13.154 137 HD13 ILE 17 HD13 ILE 17 -17.467 -3.201 -12.860 138 H SER 18 H SER 18 -18.007 -5.368 -10.086 139 HA SER 18 HA SER 18 -19.439 -7.731 -10.410 140 HB2 SER 18 HB2 SER 18 -17.092 -7.884 -10.616 141 HB3 SER 18 HB3 SER 18 -16.819 -7.122 -9.049 142 HG SER 18 HG SER 18 -16.999 -9.001 -8.129 143 H TRP 19 H TRP 19 -18.919 -5.768 -7.567 144 HA TRP 19 HA TRP 19 -19.685 -7.638 -5.610 145 HB2 TRP 19 HB2 TRP 19 -18.646 -5.207 -5.438 146 HB3 TRP 19 HB3 TRP 19 -20.336 -4.745 -5.255 147 HD1 TRP 19 HD1 TRP 19 -17.438 -6.062 -3.324 148 HE1 TRP 19 HE1 TRP 19 -18.163 -6.644 -0.924 149 HE3 TRP 19 HE3 TRP 19 -22.507 -5.783 -3.919 150 HZ2 TRP 19 HZ2 TRP 19 -20.567 -6.946 0.524 151 HZ3 TRP 19 HZ3 TRP 19 -23.949 -6.233 -1.977 152 HH2 TRP 19 HH2 TRP 19 -22.997 -6.803 0.198 153 H ILE 20 H ILE 20 -21.584 -5.119 -7.264 154 HA ILE 20 HA ILE 20 -24.047 -5.930 -6.063 155 HB ILE 20 HB ILE 20 -23.769 -3.636 -6.799 156 HG12 ILE 20 HG12 ILE 20 -25.807 -4.870 -8.645 157 HG13 ILE 20 HG13 ILE 20 -26.029 -4.858 -6.899 158 HG21 ILE 20 HG21 ILE 20 -23.507 -4.814 -9.561 159 HG22 ILE 20 HG22 ILE 20 -23.711 -3.097 -9.218 160 HG23 ILE 20 HG23 ILE 20 -22.270 -3.943 -8.655 161 HD11 ILE 20 HD11 ILE 20 -26.198 -2.655 -8.850 162 HD12 ILE 20 HD12 ILE 20 -27.124 -2.950 -7.378 163 HD13 ILE 20 HD13 ILE 20 -25.500 -2.272 -7.276 164 H LYS 21 H LYS 21 -22.342 -6.718 -9.008 165 HA LYS 21 HA LYS 21 -24.489 -7.906 -10.407 166 HB2 LYS 21 HB2 LYS 21 -21.498 -8.190 -10.577 167 HB3 LYS 21 HB3 LYS 21 -22.566 -9.153 -11.590 168 HG2 LYS 21 HG2 LYS 21 -22.427 -6.145 -11.514 169 HG3 LYS 21 HG3 LYS 21 -21.780 -7.193 -12.779 170 HD2 LYS 21 HD2 LYS 21 -24.362 -8.032 -12.664 171 HD3 LYS 21 HD3 LYS 21 -24.541 -6.321 -12.267 172 HE2 LYS 21 HE2 LYS 21 -24.694 -6.291 -14.569 173 HE3 LYS 21 HE3 LYS 21 -22.980 -5.962 -14.319 174 HZ1 LYS 21 HZ1 LYS 21 -22.882 -8.579 -14.469 175 HZ2 LYS 21 HZ2 LYS 21 -22.828 -7.606 -15.851 176 HZ3 LYS 21 HZ3 LYS 21 -24.279 -8.347 -15.395 177 H ARG 22 H ARG 22 -21.931 -9.325 -8.378 178 HA ARG 22 HA ARG 22 -22.740 -11.989 -8.584 179 HB2 ARG 22 HB2 ARG 22 -21.409 -12.399 -6.610 180 HB3 ARG 22 HB3 ARG 22 -20.579 -11.231 -7.629 181 HG2 ARG 22 HG2 ARG 22 -20.919 -9.499 -6.160 182 HG3 ARG 22 HG3 ARG 22 -22.339 -10.253 -5.434 183 HD2 ARG 22 HD2 ARG 22 -20.683 -12.047 -4.604 184 HD3 ARG 22 HD3 ARG 22 -19.439 -10.854 -4.975 185 HE ARG 22 HE ARG 22 -21.334 -9.564 -3.426 186 HH11 ARG 22 HH11 ARG 22 -19.148 -12.253 -3.097 187 HH12 ARG 22 HH12 ARG 22 -18.951 -12.052 -1.388 188 HH21 ARG 22 HH21 ARG 22 -21.082 -9.288 -1.176 189 HH22 ARG 22 HH22 ARG 22 -20.052 -10.366 -0.296 190 H LYS 23 H LYS 23 -24.128 -9.358 -6.861 191 HA LYS 23 HA LYS 23 -25.393 -10.502 -4.717 192 HB2 LYS 23 HB2 LYS 23 -25.476 -8.084 -5.432 193 HB3 LYS 23 HB3 LYS 23 -26.722 -8.538 -6.588 194 HG2 LYS 23 HG2 LYS 23 -28.302 -8.860 -4.976 195 HG3 LYS 23 HG3 LYS 23 -27.115 -9.287 -3.741 196 HD2 LYS 23 HD2 LYS 23 -27.859 -7.188 -3.063 197 HD3 LYS 23 HD3 LYS 23 -26.364 -6.825 -3.929 198 HE2 LYS 23 HE2 LYS 23 -27.747 -6.379 -5.962 199 HE3 LYS 23 HE3 LYS 23 -29.185 -6.561 -4.960 200 HZ1 LYS 23 HZ1 LYS 23 -28.810 -4.291 -4.976 201 HZ2 LYS 23 HZ2 LYS 23 -27.129 -4.448 -4.866 202 HZ3 LYS 23 HZ3 LYS 23 -28.098 -4.767 -3.516 203 H ARG 24 H ARG 24 -26.798 -10.221 -7.988 204 HA ARG 24 HA ARG 24 -28.462 -12.571 -7.358 205 HB2 ARG 24 HB2 ARG 24 -29.981 -11.553 -9.200 206 HB3 ARG 24 HB3 ARG 24 -30.023 -10.865 -7.582 207 HG2 ARG 24 HG2 ARG 24 -29.246 -8.888 -8.274 208 HG3 ARG 24 HG3 ARG 24 -28.049 -9.624 -9.343 209 HD2 ARG 24 HD2 ARG 24 -30.912 -9.805 -10.116 210 HD3 ARG 24 HD3 ARG 24 -30.112 -8.242 -10.275 211 HE ARG 24 HE ARG 24 -28.551 -10.307 -11.436 212 HH11 ARG 24 HH11 ARG 24 -31.378 -8.347 -11.970 213 HH12 ARG 24 HH12 ARG 24 -31.277 -8.441 -13.697 214 HH21 ARG 24 HH21 ARG 24 -28.408 -10.439 -13.709 215 HH22 ARG 24 HH22 ARG 24 -29.588 -9.632 -14.685 216 H GLN 25 H GLN 25 -26.666 -10.851 -9.868 217 HA GLN 25 HA GLN 25 -25.611 -13.159 -11.031 218 HB2 GLN 25 HB2 GLN 25 -28.291 -12.477 -11.923 219 HB3 GLN 25 HB3 GLN 25 -27.142 -12.473 -13.254 220 HG2 GLN 25 HG2 GLN 25 -26.467 -14.776 -12.005 221 HG3 GLN 25 HG3 GLN 25 -28.197 -14.705 -11.673 222 HE21 GLN 25 HE21 GLN 25 -29.643 -14.543 -13.477 223 HE22 GLN 25 HE22 GLN 25 -29.185 -15.188 -15.012 224 H GLN 26 H GLN 26 -24.223 -12.713 -12.796 225 HA GLN 26 HA GLN 26 -23.659 -9.847 -13.113 226 HB2 GLN 26 HB2 GLN 26 -21.803 -11.077 -12.185 227 HB3 GLN 26 HB3 GLN 26 -21.896 -12.274 -13.471 228 HG2 GLN 26 HG2 GLN 26 -21.318 -10.491 -15.096 229 HG3 GLN 26 HG3 GLN 26 -21.088 -9.389 -13.739 230 HE21 GLN 26 HE21 GLN 26 -19.067 -9.906 -15.526 231 HE22 GLN 26 HE22 GLN 26 -17.815 -10.798 -14.738 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.732 -2.871 0.346 2 HA2 GLY 1 HA2 GLY 1 2.318 -3.451 -1.494 3 HA3 GLY 1 HA3 GLY 1 0.892 -3.640 -2.504 4 H ILE 2 H ILE 2 3.221 -1.472 -1.275 5 HA ILE 2 HA ILE 2 1.942 0.990 -1.488 6 HB ILE 2 HB ILE 2 4.825 0.394 -2.164 7 HG12 ILE 2 HG12 ILE 2 4.253 -0.428 0.063 8 HG13 ILE 2 HG13 ILE 2 5.273 1.001 0.187 9 HG21 ILE 2 HG21 ILE 2 3.340 2.930 -1.556 10 HG22 ILE 2 HG22 ILE 2 5.084 2.796 -1.337 11 HG23 ILE 2 HG23 ILE 2 4.376 2.561 -2.935 12 HD11 ILE 2 HD11 ILE 2 2.625 0.533 1.215 13 HD12 ILE 2 HD12 ILE 2 3.772 1.820 1.591 14 HD13 ILE 2 HD13 ILE 2 2.679 1.986 0.218 15 H GLY 3 H GLY 3 3.668 -0.878 -3.972 16 HA2 GLY 3 HA2 GLY 3 3.144 1.068 -6.026 17 HA3 GLY 3 HA3 GLY 3 3.847 -0.527 -6.252 18 H ALA 4 H ALA 4 1.367 -1.503 -4.654 19 HA ALA 4 HA ALA 4 -0.177 -2.151 -6.985 20 HB1 ALA 4 HB1 ALA 4 0.049 -3.101 -4.266 21 HB2 ALA 4 HB2 ALA 4 -1.638 -2.958 -4.763 22 HB3 ALA 4 HB3 ALA 4 -0.520 -3.940 -5.710 23 H VAL 5 H VAL 5 -0.274 0.302 -4.590 24 HA VAL 5 HA VAL 5 -2.957 0.920 -4.377 25 HB VAL 5 HB VAL 5 -1.116 2.051 -3.133 26 HG11 VAL 5 HG11 VAL 5 0.230 3.699 -4.074 27 HG12 VAL 5 HG12 VAL 5 0.188 2.452 -5.322 28 HG13 VAL 5 HG13 VAL 5 -0.820 3.892 -5.478 29 HG21 VAL 5 HG21 VAL 5 -3.341 2.962 -3.023 30 HG22 VAL 5 HG22 VAL 5 -2.187 4.291 -3.125 31 HG23 VAL 5 HG23 VAL 5 -3.111 3.814 -4.549 32 H LEU 6 H LEU 6 -0.685 1.774 -6.944 33 HA LEU 6 HA LEU 6 -2.590 3.379 -8.371 34 HB2 LEU 6 HB2 LEU 6 -0.865 3.291 -10.186 35 HB3 LEU 6 HB3 LEU 6 -0.315 3.952 -8.647 36 HG LEU 6 HG LEU 6 0.217 1.115 -8.819 37 HD11 LEU 6 HD11 LEU 6 1.015 2.845 -11.110 38 HD12 LEU 6 HD12 LEU 6 0.525 1.151 -11.092 39 HD13 LEU 6 HD13 LEU 6 2.132 1.609 -10.530 40 HD21 LEU 6 HD21 LEU 6 2.606 2.215 -8.581 41 HD22 LEU 6 HD22 LEU 6 1.467 2.182 -7.235 42 HD23 LEU 6 HD23 LEU 6 1.648 3.646 -8.202 43 H LYS 7 H LYS 7 -1.547 0.046 -8.417 44 HA LYS 7 HA LYS 7 -2.691 -0.641 -10.927 45 HB2 LYS 7 HB2 LYS 7 -1.688 -2.180 -8.562 46 HB3 LYS 7 HB3 LYS 7 -2.607 -3.015 -9.808 47 HG2 LYS 7 HG2 LYS 7 -0.564 -3.331 -10.694 48 HG3 LYS 7 HG3 LYS 7 -0.840 -1.717 -11.352 49 HD2 LYS 7 HD2 LYS 7 0.356 -0.742 -9.447 50 HD3 LYS 7 HD3 LYS 7 0.636 -2.360 -8.798 51 HE2 LYS 7 HE2 LYS 7 1.488 -1.842 -11.590 52 HE3 LYS 7 HE3 LYS 7 2.425 -1.081 -10.306 53 HZ1 LYS 7 HZ1 LYS 7 3.499 -3.016 -10.219 54 HZ2 LYS 7 HZ2 LYS 7 2.312 -3.840 -11.098 55 HZ3 LYS 7 HZ3 LYS 7 2.133 -3.625 -9.429 56 H VAL 8 H VAL 8 -3.793 -1.147 -7.576 57 HA VAL 8 HA VAL 8 -6.195 -2.401 -8.062 58 HB VAL 8 HB VAL 8 -7.007 -1.415 -5.940 59 HG11 VAL 8 HG11 VAL 8 -5.680 -3.390 -5.786 60 HG12 VAL 8 HG12 VAL 8 -4.186 -2.471 -5.982 61 HG13 VAL 8 HG13 VAL 8 -5.146 -2.293 -4.513 62 HG21 VAL 8 HG21 VAL 8 -5.925 0.818 -6.330 63 HG22 VAL 8 HG22 VAL 8 -5.720 0.164 -4.705 64 HG23 VAL 8 HG23 VAL 8 -4.393 0.080 -5.862 65 H LEU 9 H LEU 9 -5.338 0.921 -8.588 66 HA LEU 9 HA LEU 9 -7.799 2.181 -8.587 67 HB2 LEU 9 HB2 LEU 9 -5.591 2.675 -10.575 68 HB3 LEU 9 HB3 LEU 9 -6.838 3.813 -10.070 69 HG LEU 9 HG LEU 9 -4.484 2.822 -8.474 70 HD11 LEU 9 HD11 LEU 9 -4.383 5.460 -8.282 71 HD12 LEU 9 HD12 LEU 9 -5.260 5.357 -9.809 72 HD13 LEU 9 HD13 LEU 9 -3.677 4.596 -9.649 73 HD21 LEU 9 HD21 LEU 9 -6.911 4.361 -7.573 74 HD22 LEU 9 HD22 LEU 9 -5.393 4.320 -6.675 75 HD23 LEU 9 HD23 LEU 9 -6.302 2.831 -6.940 76 H THR 10 H THR 10 -6.352 0.117 -11.034 77 HA THR 10 HA THR 10 -8.575 0.564 -12.864 78 HB THR 10 HB THR 10 -6.284 -1.361 -13.247 79 HG1 THR 10 HG1 THR 10 -6.436 1.435 -13.659 80 HG21 THR 10 HG21 THR 10 -8.371 -1.453 -14.708 81 HG22 THR 10 HG22 THR 10 -6.827 -1.283 -15.543 82 HG23 THR 10 HG23 THR 10 -7.874 0.120 -15.329 83 H THR 11 H THR 11 -7.307 -1.900 -10.715 84 HA THR 11 HA THR 11 -8.964 -4.024 -11.600 85 HB THR 11 HB THR 11 -7.743 -3.672 -8.857 86 HG1 THR 11 HG1 THR 11 -5.951 -4.706 -9.710 87 HG21 THR 11 HG21 THR 11 -9.157 -5.868 -10.238 88 HG22 THR 11 HG22 THR 11 -9.022 -5.511 -8.516 89 HG23 THR 11 HG23 THR 11 -7.699 -6.319 -9.356 90 H GLY 12 H GLY 12 -9.520 -1.277 -9.594 91 HA2 GLY 12 HA2 GLY 12 -11.726 -2.341 -8.116 92 HA3 GLY 12 HA3 GLY 12 -11.295 -0.644 -8.265 93 H LEU 13 H LEU 13 -11.374 -1.064 -11.294 94 HA LEU 13 HA LEU 13 -13.981 -0.073 -11.697 95 HB2 LEU 13 HB2 LEU 13 -12.610 0.613 -13.372 96 HB3 LEU 13 HB3 LEU 13 -11.716 -0.906 -13.409 97 HG LEU 13 HG LEU 13 -13.592 -1.945 -14.633 98 HD11 LEU 13 HD11 LEU 13 -15.581 -0.982 -14.815 99 HD12 LEU 13 HD12 LEU 13 -14.870 0.483 -15.490 100 HD13 LEU 13 HD13 LEU 13 -15.008 0.294 -13.742 101 HD21 LEU 13 HD21 LEU 13 -11.994 0.322 -15.644 102 HD22 LEU 13 HD22 LEU 13 -13.327 -0.214 -16.667 103 HD23 LEU 13 HD23 LEU 13 -12.067 -1.353 -16.191 104 HA PRO 14 HA PRO 14 -15.023 -4.417 -13.542 105 HB2 PRO 14 HB2 PRO 14 -13.234 -6.413 -13.108 106 HB3 PRO 14 HB3 PRO 14 -13.167 -5.353 -14.521 107 HG2 PRO 14 HG2 PRO 14 -11.595 -5.219 -11.977 108 HG3 PRO 14 HG3 PRO 14 -11.042 -4.998 -13.647 109 HD2 PRO 14 HD2 PRO 14 -11.539 -2.916 -11.989 110 HD3 PRO 14 HD3 PRO 14 -11.799 -2.823 -13.743 111 H ALA 15 H ALA 15 -13.340 -4.169 -10.484 112 HA ALA 15 HA ALA 15 -14.812 -6.334 -9.262 113 HB1 ALA 15 HB1 ALA 15 -13.334 -4.381 -7.594 114 HB2 ALA 15 HB2 ALA 15 -13.390 -6.141 -7.501 115 HB3 ALA 15 HB3 ALA 15 -12.398 -5.354 -8.728 116 H LEU 16 H LEU 16 -15.089 -2.886 -9.573 117 HA LEU 16 HA LEU 16 -16.759 -2.330 -7.392 118 HB2 LEU 16 HB2 LEU 16 -15.760 -0.528 -8.568 119 HB3 LEU 16 HB3 LEU 16 -16.476 -1.042 -10.094 120 HG LEU 16 HG LEU 16 -18.527 -0.455 -8.152 121 HD11 LEU 16 HD11 LEU 16 -18.166 1.883 -7.841 122 HD12 LEU 16 HD12 LEU 16 -16.705 1.846 -8.828 123 HD13 LEU 16 HD13 LEU 16 -16.732 1.034 -7.263 124 HD21 LEU 16 HD21 LEU 16 -19.032 1.258 -10.033 125 HD22 LEU 16 HD22 LEU 16 -19.182 -0.467 -10.370 126 HD23 LEU 16 HD23 LEU 16 -17.751 0.416 -10.906 127 H ILE 17 H ILE 17 -17.709 -2.790 -10.803 128 HA ILE 17 HA ILE 17 -20.476 -3.018 -10.186 129 HB ILE 17 HB ILE 17 -20.843 -3.454 -12.470 130 HG12 ILE 17 HG12 ILE 17 -19.147 -5.332 -12.562 131 HG13 ILE 17 HG13 ILE 17 -19.239 -4.327 -14.004 132 HG21 ILE 17 HG21 ILE 17 -18.373 -1.741 -12.239 133 HG22 ILE 17 HG22 ILE 17 -19.460 -1.776 -13.627 134 HG23 ILE 17 HG23 ILE 17 -20.045 -1.206 -12.064 135 HD11 ILE 17 HD11 ILE 17 -16.945 -4.785 -13.502 136 HD12 ILE 17 HD12 ILE 17 -17.264 -3.078 -13.195 137 HD13 ILE 17 HD13 ILE 17 -17.146 -4.209 -11.848 138 H SER 18 H SER 18 -17.846 -5.289 -10.470 139 HA SER 18 HA SER 18 -19.230 -7.667 -10.859 140 HB2 SER 18 HB2 SER 18 -16.878 -7.787 -10.990 141 HB3 SER 18 HB3 SER 18 -16.666 -7.035 -9.409 142 HG SER 18 HG SER 18 -16.339 -9.338 -9.423 143 H TRP 19 H TRP 19 -18.888 -5.704 -8.001 144 HA TRP 19 HA TRP 19 -19.687 -7.627 -6.091 145 HB2 TRP 19 HB2 TRP 19 -18.657 -5.191 -5.848 146 HB3 TRP 19 HB3 TRP 19 -20.354 -4.746 -5.693 147 HD1 TRP 19 HD1 TRP 19 -17.493 -6.194 -3.758 148 HE1 TRP 19 HE1 TRP 19 -18.265 -6.794 -1.377 149 HE3 TRP 19 HE3 TRP 19 -22.540 -5.681 -4.388 150 HZ2 TRP 19 HZ2 TRP 19 -20.693 -7.021 0.045 151 HZ3 TRP 19 HZ3 TRP 19 -24.018 -6.108 -2.468 152 HH2 TRP 19 HH2 TRP 19 -23.111 -6.765 -0.298 153 H ILE 20 H ILE 20 -21.521 -5.092 -7.789 154 HA ILE 20 HA ILE 20 -24.027 -5.900 -6.676 155 HB ILE 20 HB ILE 20 -23.721 -3.604 -7.388 156 HG12 ILE 20 HG12 ILE 20 -25.675 -4.678 -9.386 157 HG13 ILE 20 HG13 ILE 20 -25.964 -4.952 -7.671 158 HG21 ILE 20 HG21 ILE 20 -23.352 -4.767 -10.143 159 HG22 ILE 20 HG22 ILE 20 -23.574 -3.052 -9.803 160 HG23 ILE 20 HG23 ILE 20 -22.154 -3.896 -9.187 161 HD11 ILE 20 HD11 ILE 20 -25.931 -2.391 -9.197 162 HD12 ILE 20 HD12 ILE 20 -27.141 -3.019 -8.078 163 HD13 ILE 20 HD13 ILE 20 -25.610 -2.397 -7.463 164 H LYS 21 H LYS 21 -22.229 -6.665 -9.574 165 HA LYS 21 HA LYS 21 -24.300 -7.815 -11.085 166 HB2 LYS 21 HB2 LYS 21 -21.318 -8.206 -11.047 167 HB3 LYS 21 HB3 LYS 21 -22.345 -9.144 -12.124 168 HG2 LYS 21 HG2 LYS 21 -22.087 -6.144 -12.064 169 HG3 LYS 21 HG3 LYS 21 -21.429 -7.235 -13.285 170 HD2 LYS 21 HD2 LYS 21 -23.801 -7.980 -13.722 171 HD3 LYS 21 HD3 LYS 21 -24.323 -6.639 -12.701 172 HE2 LYS 21 HE2 LYS 21 -22.782 -6.495 -15.285 173 HE3 LYS 21 HE3 LYS 21 -24.416 -5.912 -14.975 174 HZ1 LYS 21 HZ1 LYS 21 -23.172 -4.496 -13.179 175 HZ2 LYS 21 HZ2 LYS 21 -23.242 -3.985 -14.790 176 HZ3 LYS 21 HZ3 LYS 21 -21.846 -4.738 -14.202 177 H ARG 22 H ARG 22 -21.882 -9.376 -8.978 178 HA ARG 22 HA ARG 22 -22.809 -11.985 -9.202 179 HB2 ARG 22 HB2 ARG 22 -21.639 -12.429 -7.112 180 HB3 ARG 22 HB3 ARG 22 -20.677 -11.375 -8.139 181 HG2 ARG 22 HG2 ARG 22 -21.042 -9.518 -6.790 182 HG3 ARG 22 HG3 ARG 22 -22.451 -10.242 -6.013 183 HD2 ARG 22 HD2 ARG 22 -20.664 -12.029 -5.244 184 HD3 ARG 22 HD3 ARG 22 -19.553 -10.684 -5.502 185 HE ARG 22 HE ARG 22 -21.785 -9.885 -3.938 186 HH11 ARG 22 HH11 ARG 22 -18.781 -11.639 -3.786 187 HH12 ARG 22 HH12 ARG 22 -18.545 -11.346 -2.095 188 HH21 ARG 22 HH21 ARG 22 -21.485 -9.492 -1.712 189 HH22 ARG 22 HH22 ARG 22 -20.084 -10.125 -0.916 190 H LYS 23 H LYS 23 -24.085 -9.306 -7.405 191 HA LYS 23 HA LYS 23 -25.587 -10.567 -5.451 192 HB2 LYS 23 HB2 LYS 23 -25.260 -8.047 -5.949 193 HB3 LYS 23 HB3 LYS 23 -26.664 -8.223 -6.994 194 HG2 LYS 23 HG2 LYS 23 -28.084 -8.276 -5.272 195 HG3 LYS 23 HG3 LYS 23 -27.042 -9.337 -4.321 196 HD2 LYS 23 HD2 LYS 23 -26.847 -7.485 -3.031 197 HD3 LYS 23 HD3 LYS 23 -25.594 -7.084 -4.208 198 HE2 LYS 23 HE2 LYS 23 -26.722 -5.168 -4.472 199 HE3 LYS 23 HE3 LYS 23 -27.847 -6.133 -5.425 200 HZ1 LYS 23 HZ1 LYS 23 -28.912 -4.760 -3.679 201 HZ2 LYS 23 HZ2 LYS 23 -28.119 -5.682 -2.505 202 HZ3 LYS 23 HZ3 LYS 23 -29.246 -6.412 -3.534 203 H ARG 24 H ARG 24 -26.583 -9.752 -8.773 204 HA ARG 24 HA ARG 24 -28.845 -11.608 -8.471 205 HB2 ARG 24 HB2 ARG 24 -28.549 -9.647 -10.727 206 HB3 ARG 24 HB3 ARG 24 -30.014 -10.388 -10.094 207 HG2 ARG 24 HG2 ARG 24 -28.995 -8.967 -7.946 208 HG3 ARG 24 HG3 ARG 24 -28.712 -7.921 -9.339 209 HD2 ARG 24 HD2 ARG 24 -31.009 -7.909 -9.911 210 HD3 ARG 24 HD3 ARG 24 -31.365 -9.230 -8.800 211 HE ARG 24 HE ARG 24 -31.270 -6.459 -8.175 212 HH11 ARG 24 HH11 ARG 24 -30.597 -9.622 -6.884 213 HH12 ARG 24 HH12 ARG 24 -30.822 -9.140 -5.235 214 HH21 ARG 24 HH21 ARG 24 -31.569 -5.813 -6.008 215 HH22 ARG 24 HH22 ARG 24 -31.375 -6.973 -4.738 216 H GLN 25 H GLN 25 -26.844 -10.465 -11.195 217 HA GLN 25 HA GLN 25 -27.106 -12.930 -12.598 218 HB2 GLN 25 HB2 GLN 25 -26.330 -10.351 -13.249 219 HB3 GLN 25 HB3 GLN 25 -24.845 -11.279 -13.412 220 HG2 GLN 25 HG2 GLN 25 -27.207 -12.521 -14.624 221 HG3 GLN 25 HG3 GLN 25 -26.714 -10.992 -15.349 222 HE21 GLN 25 HE21 GLN 25 -24.125 -10.942 -15.418 223 HE22 GLN 25 HE22 GLN 25 -23.447 -12.302 -16.240 224 H GLN 26 H GLN 26 -25.348 -14.347 -13.217 225 HA GLN 26 HA GLN 26 -23.887 -15.301 -11.022 226 HB2 GLN 26 HB2 GLN 26 -23.906 -15.871 -13.951 227 HB3 GLN 26 HB3 GLN 26 -22.572 -16.494 -12.989 228 HG2 GLN 26 HG2 GLN 26 -24.483 -17.378 -11.445 229 HG3 GLN 26 HG3 GLN 26 -25.464 -17.195 -12.898 230 HE21 GLN 26 HE21 GLN 26 -25.239 -19.651 -11.900 231 HE22 GLN 26 HE22 GLN 26 -24.202 -20.632 -12.873 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.033 -4.439 -1.464 2 HA2 GLY 1 HA2 GLY 1 0.707 -3.571 -1.551 3 HA3 GLY 1 HA3 GLY 1 1.533 -3.055 -0.087 4 H ILE 2 H ILE 2 3.240 -1.121 -1.215 5 HA ILE 2 HA ILE 2 1.449 1.091 -1.346 6 HB ILE 2 HB ILE 2 4.417 1.017 -1.898 7 HG12 ILE 2 HG12 ILE 2 3.841 0.219 0.358 8 HG13 ILE 2 HG13 ILE 2 4.667 1.772 0.418 9 HG21 ILE 2 HG21 ILE 2 3.611 3.019 -2.817 10 HG22 ILE 2 HG22 ILE 2 2.474 3.269 -1.493 11 HG23 ILE 2 HG23 ILE 2 4.205 3.465 -1.218 12 HD11 ILE 2 HD11 ILE 2 3.014 2.555 1.652 13 HD12 ILE 2 HD12 ILE 2 1.914 2.325 0.292 14 HD13 ILE 2 HD13 ILE 2 2.129 1.040 1.480 15 H GLY 3 H GLY 3 3.739 -0.295 -3.706 16 HA2 GLY 3 HA2 GLY 3 3.048 1.386 -5.845 17 HA3 GLY 3 HA3 GLY 3 3.789 -0.200 -5.998 18 H ALA 4 H ALA 4 1.289 -1.164 -4.417 19 HA ALA 4 HA ALA 4 -0.180 -1.947 -6.752 20 HB1 ALA 4 HB1 ALA 4 -0.015 -2.758 -3.985 21 HB2 ALA 4 HB2 ALA 4 -1.691 -2.665 -4.530 22 HB3 ALA 4 HB3 ALA 4 -0.536 -3.675 -5.399 23 H VAL 5 H VAL 5 -0.379 0.628 -4.500 24 HA VAL 5 HA VAL 5 -3.075 1.211 -4.380 25 HB VAL 5 HB VAL 5 -1.272 2.443 -3.169 26 HG11 VAL 5 HG11 VAL 5 0.056 4.061 -4.179 27 HG12 VAL 5 HG12 VAL 5 0.053 2.753 -5.364 28 HG13 VAL 5 HG13 VAL 5 -0.979 4.164 -5.603 29 HG21 VAL 5 HG21 VAL 5 -3.561 3.282 -3.215 30 HG22 VAL 5 HG22 VAL 5 -2.405 4.614 -3.221 31 HG23 VAL 5 HG23 VAL 5 -3.224 4.151 -4.713 32 H LEU 6 H LEU 6 -0.761 1.961 -6.944 33 HA LEU 6 HA LEU 6 -2.666 3.441 -8.501 34 HB2 LEU 6 HB2 LEU 6 -0.894 3.287 -10.269 35 HB3 LEU 6 HB3 LEU 6 -0.401 4.054 -8.761 36 HG LEU 6 HG LEU 6 0.204 1.225 -8.749 37 HD11 LEU 6 HD11 LEU 6 2.172 1.749 -10.439 38 HD12 LEU 6 HD12 LEU 6 0.953 2.814 -11.140 39 HD13 LEU 6 HD13 LEU 6 0.629 1.088 -10.980 40 HD21 LEU 6 HD21 LEU 6 1.397 2.392 -7.201 41 HD22 LEU 6 HD22 LEU 6 1.535 3.825 -8.220 42 HD23 LEU 6 HD23 LEU 6 2.560 2.422 -8.526 43 H LYS 7 H LYS 7 -1.549 0.136 -8.335 44 HA LYS 7 HA LYS 7 -2.612 -0.719 -10.827 45 HB2 LYS 7 HB2 LYS 7 -1.649 -2.100 -8.350 46 HB3 LYS 7 HB3 LYS 7 -2.510 -3.022 -9.575 47 HG2 LYS 7 HG2 LYS 7 -0.431 -3.341 -10.374 48 HG3 LYS 7 HG3 LYS 7 -0.724 -1.777 -11.137 49 HD2 LYS 7 HD2 LYS 7 0.375 -0.667 -9.233 50 HD3 LYS 7 HD3 LYS 7 0.703 -2.248 -8.518 51 HE2 LYS 7 HE2 LYS 7 1.634 -1.530 -11.282 52 HE3 LYS 7 HE3 LYS 7 2.581 -1.129 -9.850 53 HZ1 LYS 7 HZ1 LYS 7 1.756 -3.835 -9.761 54 HZ2 LYS 7 HZ2 LYS 7 3.323 -3.199 -9.748 55 HZ3 LYS 7 HZ3 LYS 7 2.556 -3.528 -11.219 56 H VAL 8 H VAL 8 -3.795 -1.055 -7.483 57 HA VAL 8 HA VAL 8 -6.159 -2.385 -7.958 58 HB VAL 8 HB VAL 8 -7.048 -1.296 -5.919 59 HG11 VAL 8 HG11 VAL 8 -4.211 -2.304 -5.838 60 HG12 VAL 8 HG12 VAL 8 -5.196 -2.044 -4.397 61 HG13 VAL 8 HG13 VAL 8 -5.694 -3.229 -5.605 62 HG21 VAL 8 HG21 VAL 8 -6.000 0.933 -6.409 63 HG22 VAL 8 HG22 VAL 8 -5.827 0.377 -4.744 64 HG23 VAL 8 HG23 VAL 8 -4.467 0.256 -5.860 65 H LEU 9 H LEU 9 -5.353 0.920 -8.650 66 HA LEU 9 HA LEU 9 -7.839 2.123 -8.789 67 HB2 LEU 9 HB2 LEU 9 -5.583 2.556 -10.738 68 HB3 LEU 9 HB3 LEU 9 -6.869 3.692 -10.333 69 HG LEU 9 HG LEU 9 -4.544 2.844 -8.616 70 HD11 LEU 9 HD11 LEU 9 -4.102 5.271 -8.604 71 HD12 LEU 9 HD12 LEU 9 -5.440 5.497 -9.729 72 HD13 LEU 9 HD13 LEU 9 -4.025 4.568 -10.220 73 HD21 LEU 9 HD21 LEU 9 -6.409 2.899 -7.141 74 HD22 LEU 9 HD22 LEU 9 -7.027 4.379 -7.875 75 HD23 LEU 9 HD23 LEU 9 -5.537 4.418 -6.932 76 H THR 10 H THR 10 -6.277 -0.039 -11.076 77 HA THR 10 HA THR 10 -8.452 0.257 -12.991 78 HB THR 10 HB THR 10 -7.101 -1.511 -14.268 79 HG1 THR 10 HG1 THR 10 -5.121 -2.004 -13.521 80 HG21 THR 10 HG21 THR 10 -6.870 1.268 -14.086 81 HG22 THR 10 HG22 THR 10 -6.309 0.239 -15.404 82 HG23 THR 10 HG23 THR 10 -5.213 0.665 -14.090 83 H THR 11 H THR 11 -7.200 -2.057 -10.671 84 HA THR 11 HA THR 11 -8.790 -4.261 -11.483 85 HB THR 11 HB THR 11 -7.814 -3.837 -8.666 86 HG1 THR 11 HG1 THR 11 -6.344 -4.431 -11.011 87 HG21 THR 11 HG21 THR 11 -8.997 -5.826 -8.731 88 HG22 THR 11 HG22 THR 11 -7.357 -6.375 -9.077 89 HG23 THR 11 HG23 THR 11 -8.517 -6.177 -10.391 90 H GLY 12 H GLY 12 -9.458 -1.420 -9.652 91 HA2 GLY 12 HA2 GLY 12 -11.685 -2.446 -8.179 92 HA3 GLY 12 HA3 GLY 12 -11.282 -0.751 -8.410 93 H LEU 13 H LEU 13 -11.264 -1.342 -11.412 94 HA LEU 13 HA LEU 13 -13.876 -0.428 -11.944 95 HB2 LEU 13 HB2 LEU 13 -12.469 0.193 -13.614 96 HB3 LEU 13 HB3 LEU 13 -11.547 -1.307 -13.542 97 HG LEU 13 HG LEU 13 -13.366 -2.449 -14.758 98 HD11 LEU 13 HD11 LEU 13 -14.603 0.259 -14.563 99 HD12 LEU 13 HD12 LEU 13 -15.333 -1.331 -14.344 100 HD13 LEU 13 HD13 LEU 13 -14.942 -0.757 -15.965 101 HD21 LEU 13 HD21 LEU 13 -12.694 -0.087 -16.432 102 HD22 LEU 13 HD22 LEU 13 -12.598 -1.808 -16.809 103 HD23 LEU 13 HD23 LEU 13 -11.369 -1.058 -15.789 104 HA PRO 14 HA PRO 14 -14.778 -4.888 -13.573 105 HB2 PRO 14 HB2 PRO 14 -12.965 -6.819 -12.977 106 HB3 PRO 14 HB3 PRO 14 -12.876 -5.837 -14.444 107 HG2 PRO 14 HG2 PRO 14 -11.384 -5.531 -11.867 108 HG3 PRO 14 HG3 PRO 14 -10.785 -5.390 -13.530 109 HD2 PRO 14 HD2 PRO 14 -11.373 -3.231 -12.006 110 HD3 PRO 14 HD3 PRO 14 -11.581 -3.241 -13.769 111 H ALA 15 H ALA 15 -13.199 -4.429 -10.486 112 HA ALA 15 HA ALA 15 -14.666 -6.556 -9.188 113 HB1 ALA 15 HB1 ALA 15 -13.271 -4.484 -7.592 114 HB2 ALA 15 HB2 ALA 15 -13.302 -6.237 -7.398 115 HB3 ALA 15 HB3 ALA 15 -12.286 -5.505 -8.640 116 H LEU 16 H LEU 16 -14.996 -3.136 -9.700 117 HA LEU 16 HA LEU 16 -16.740 -2.495 -7.602 118 HB2 LEU 16 HB2 LEU 16 -15.737 -0.740 -8.843 119 HB3 LEU 16 HB3 LEU 16 -16.395 -1.348 -10.360 120 HG LEU 16 HG LEU 16 -18.505 -0.687 -8.499 121 HD11 LEU 16 HD11 LEU 16 -18.147 1.780 -8.629 122 HD12 LEU 16 HD12 LEU 16 -16.496 1.457 -9.157 123 HD13 LEU 16 HD13 LEU 16 -17.030 0.934 -7.559 124 HD21 LEU 16 HD21 LEU 16 -17.700 -0.031 -11.298 125 HD22 LEU 16 HD22 LEU 16 -18.984 0.893 -10.517 126 HD23 LEU 16 HD23 LEU 16 -19.144 -0.854 -10.707 127 H ILE 17 H ILE 17 -17.574 -3.158 -11.009 128 HA ILE 17 HA ILE 17 -20.356 -3.399 -10.470 129 HB ILE 17 HB ILE 17 -20.640 -3.976 -12.734 130 HG12 ILE 17 HG12 ILE 17 -18.918 -5.830 -12.659 131 HG13 ILE 17 HG13 ILE 17 -18.971 -4.911 -14.160 132 HG21 ILE 17 HG21 ILE 17 -18.201 -2.215 -12.530 133 HG22 ILE 17 HG22 ILE 17 -19.245 -2.347 -13.944 134 HG23 ILE 17 HG23 ILE 17 -19.883 -1.695 -12.436 135 HD11 ILE 17 HD11 ILE 17 -16.958 -4.635 -11.944 136 HD12 ILE 17 HD12 ILE 17 -16.691 -5.307 -13.553 137 HD13 ILE 17 HD13 ILE 17 -17.042 -3.589 -13.361 138 H SER 18 H SER 18 -17.684 -5.633 -10.507 139 HA SER 18 HA SER 18 -19.064 -8.049 -10.780 140 HB2 SER 18 HB2 SER 18 -16.701 -8.133 -10.938 141 HB3 SER 18 HB3 SER 18 -16.488 -7.334 -9.381 142 HG SER 18 HG SER 18 -16.170 -9.675 -9.407 143 H TRP 19 H TRP 19 -18.654 -5.929 -8.038 144 HA TRP 19 HA TRP 19 -19.480 -7.764 -6.037 145 HB2 TRP 19 HB2 TRP 19 -18.229 -5.718 -5.505 146 HB3 TRP 19 HB3 TRP 19 -19.590 -4.740 -6.045 147 HD1 TRP 19 HD1 TRP 19 -21.926 -5.083 -4.535 148 HE1 TRP 19 HE1 TRP 19 -22.144 -5.405 -1.990 149 HE3 TRP 19 HE3 TRP 19 -17.159 -6.612 -3.499 150 HZ2 TRP 19 HZ2 TRP 19 -20.511 -6.202 0.170 151 HZ3 TRP 19 HZ3 TRP 19 -16.568 -7.134 -1.169 152 HH2 TRP 19 HH2 TRP 19 -18.211 -6.932 0.626 153 H ILE 20 H ILE 20 -21.206 -5.220 -7.823 154 HA ILE 20 HA ILE 20 -23.724 -5.787 -6.607 155 HB ILE 20 HB ILE 20 -23.285 -3.578 -7.517 156 HG12 ILE 20 HG12 ILE 20 -25.420 -4.903 -9.195 157 HG13 ILE 20 HG13 ILE 20 -25.620 -4.543 -7.484 158 HG21 ILE 20 HG21 ILE 20 -21.812 -4.164 -9.340 159 HG22 ILE 20 HG22 ILE 20 -23.131 -4.971 -10.186 160 HG23 ILE 20 HG23 ILE 20 -23.170 -3.223 -9.956 161 HD11 ILE 20 HD11 ILE 20 -25.153 -2.141 -8.052 162 HD12 ILE 20 HD12 ILE 20 -25.273 -2.606 -9.749 163 HD13 ILE 20 HD13 ILE 20 -26.662 -2.800 -8.681 164 H LYS 21 H LYS 21 -22.062 -6.876 -9.487 165 HA LYS 21 HA LYS 21 -24.264 -8.038 -10.811 166 HB2 LYS 21 HB2 LYS 21 -21.341 -8.100 -11.043 167 HB3 LYS 21 HB3 LYS 21 -22.121 -9.591 -11.556 168 HG2 LYS 21 HG2 LYS 21 -22.864 -8.669 -13.438 169 HG3 LYS 21 HG3 LYS 21 -23.450 -7.230 -12.600 170 HD2 LYS 21 HD2 LYS 21 -21.719 -6.670 -14.237 171 HD3 LYS 21 HD3 LYS 21 -21.192 -6.303 -12.593 172 HE2 LYS 21 HE2 LYS 21 -19.400 -7.359 -13.850 173 HE3 LYS 21 HE3 LYS 21 -19.935 -8.406 -12.536 174 HZ1 LYS 21 HZ1 LYS 21 -21.356 -8.895 -14.969 175 HZ2 LYS 21 HZ2 LYS 21 -20.533 -9.980 -13.967 176 HZ3 LYS 21 HZ3 LYS 21 -19.689 -9.118 -15.154 177 H ARG 22 H ARG 22 -21.774 -9.518 -8.733 178 HA ARG 22 HA ARG 22 -22.773 -12.111 -8.727 179 HB2 ARG 22 HB2 ARG 22 -21.493 -12.452 -6.690 180 HB3 ARG 22 HB3 ARG 22 -20.571 -11.467 -7.818 181 HG2 ARG 22 HG2 ARG 22 -20.851 -9.536 -6.552 182 HG3 ARG 22 HG3 ARG 22 -22.222 -10.204 -5.665 183 HD2 ARG 22 HD2 ARG 22 -20.628 -11.878 -4.675 184 HD3 ARG 22 HD3 ARG 22 -19.317 -10.954 -5.407 185 HE ARG 22 HE ARG 22 -20.684 -9.094 -3.988 186 HH11 ARG 22 HH11 ARG 22 -19.313 -12.196 -3.200 187 HH12 ARG 22 HH12 ARG 22 -18.987 -11.778 -1.551 188 HH21 ARG 22 HH21 ARG 22 -20.259 -8.533 -1.818 189 HH22 ARG 22 HH22 ARG 22 -19.526 -9.695 -0.766 190 H LYS 23 H LYS 23 -23.888 -9.281 -7.060 191 HA LYS 23 HA LYS 23 -25.301 -10.333 -4.936 192 HB2 LYS 23 HB2 LYS 23 -25.024 -7.856 -5.966 193 HB3 LYS 23 HB3 LYS 23 -26.669 -8.205 -6.480 194 HG2 LYS 23 HG2 LYS 23 -25.762 -8.524 -3.635 195 HG3 LYS 23 HG3 LYS 23 -26.403 -7.008 -4.273 196 HD2 LYS 23 HD2 LYS 23 -28.085 -9.276 -4.946 197 HD3 LYS 23 HD3 LYS 23 -27.870 -9.103 -3.202 198 HE2 LYS 23 HE2 LYS 23 -29.825 -7.861 -4.050 199 HE3 LYS 23 HE3 LYS 23 -28.625 -6.810 -3.298 200 HZ1 LYS 23 HZ1 LYS 23 -29.720 -6.385 -5.708 201 HZ2 LYS 23 HZ2 LYS 23 -28.293 -7.181 -6.145 202 HZ3 LYS 23 HZ3 LYS 23 -28.222 -5.765 -5.221 203 H ARG 24 H ARG 24 -26.622 -9.661 -8.184 204 HA ARG 24 HA ARG 24 -28.615 -11.776 -7.693 205 HB2 ARG 24 HB2 ARG 24 -29.149 -9.575 -9.640 206 HB3 ARG 24 HB3 ARG 24 -30.283 -10.532 -8.696 207 HG2 ARG 24 HG2 ARG 24 -28.999 -9.226 -6.720 208 HG3 ARG 24 HG3 ARG 24 -28.887 -8.036 -8.019 209 HD2 ARG 24 HD2 ARG 24 -31.365 -9.273 -6.841 210 HD3 ARG 24 HD3 ARG 24 -30.888 -7.575 -6.828 211 HE ARG 24 HE ARG 24 -31.091 -8.253 -9.480 212 HH11 ARG 24 HH11 ARG 24 -33.208 -8.280 -6.716 213 HH12 ARG 24 HH12 ARG 24 -34.644 -8.014 -7.649 214 HH21 ARG 24 HH21 ARG 24 -32.974 -7.902 -10.719 215 HH22 ARG 24 HH22 ARG 24 -34.509 -7.800 -9.926 216 H GLN 25 H GLN 25 -27.347 -9.936 -10.477 217 HA GLN 25 HA GLN 25 -27.712 -11.985 -12.347 218 HB2 GLN 25 HB2 GLN 25 -26.565 -9.354 -12.298 219 HB3 GLN 25 HB3 GLN 25 -25.501 -10.436 -13.186 220 HG2 GLN 25 HG2 GLN 25 -26.873 -9.661 -14.849 221 HG3 GLN 25 HG3 GLN 25 -27.677 -11.162 -14.396 222 HE21 GLN 25 HE21 GLN 25 -29.770 -11.047 -14.032 223 HE22 GLN 25 HE22 GLN 25 -30.659 -9.618 -13.642 224 H GLN 26 H GLN 26 -25.530 -12.588 -13.698 225 HA GLN 26 HA GLN 26 -23.663 -13.791 -11.767 226 HB2 GLN 26 HB2 GLN 26 -23.587 -15.818 -13.148 227 HB3 GLN 26 HB3 GLN 26 -25.209 -15.515 -12.541 228 HG2 GLN 26 HG2 GLN 26 -24.657 -14.351 -15.171 229 HG3 GLN 26 HG3 GLN 26 -24.595 -16.112 -15.113 230 HE21 GLN 26 HE21 GLN 26 -26.488 -17.041 -13.748 231 HE22 GLN 26 HE22 GLN 26 -28.047 -16.414 -14.150 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.758 -1.416 -2.301 2 HA2 GLY 1 HA2 GLY 1 1.572 -0.269 -0.848 3 HA3 GLY 1 HA3 GLY 1 3.225 0.328 -0.887 4 H ILE 2 H ILE 2 3.731 2.035 -2.164 5 HA ILE 2 HA ILE 2 1.712 3.752 -3.041 6 HB ILE 2 HB ILE 2 4.600 3.698 -3.923 7 HG12 ILE 2 HG12 ILE 2 4.328 3.858 -1.480 8 HG13 ILE 2 HG13 ILE 2 4.960 5.354 -2.158 9 HG21 ILE 2 HG21 ILE 2 4.259 6.076 -4.438 10 HG22 ILE 2 HG22 ILE 2 3.234 5.031 -5.420 11 HG23 ILE 2 HG23 ILE 2 2.548 5.903 -4.050 12 HD11 ILE 2 HD11 ILE 2 3.289 5.786 -0.451 13 HD12 ILE 2 HD12 ILE 2 2.742 6.352 -2.029 14 HD13 ILE 2 HD13 ILE 2 2.103 4.850 -1.361 15 H GLY 3 H GLY 3 3.665 1.399 -4.817 16 HA2 GLY 3 HA2 GLY 3 2.558 2.125 -7.372 17 HA3 GLY 3 HA3 GLY 3 3.590 0.743 -7.035 18 H ALA 4 H ALA 4 1.511 0.169 -4.786 19 HA ALA 4 HA ALA 4 0.015 -1.729 -6.323 20 HB1 ALA 4 HB1 ALA 4 0.196 -2.724 -4.337 21 HB2 ALA 4 HB2 ALA 4 0.533 -1.200 -3.514 22 HB3 ALA 4 HB3 ALA 4 -1.134 -1.688 -3.818 23 H VAL 5 H VAL 5 -0.493 1.506 -5.311 24 HA VAL 5 HA VAL 5 -3.227 1.696 -4.993 25 HB VAL 5 HB VAL 5 -1.674 3.586 -4.683 26 HG11 VAL 5 HG11 VAL 5 -0.646 4.730 -6.422 27 HG12 VAL 5 HG12 VAL 5 -0.482 3.043 -6.913 28 HG13 VAL 5 HG13 VAL 5 -1.730 4.058 -7.639 29 HG21 VAL 5 HG21 VAL 5 -3.480 4.874 -4.776 30 HG22 VAL 5 HG22 VAL 5 -3.370 4.950 -6.534 31 HG23 VAL 5 HG23 VAL 5 -4.280 3.651 -5.763 32 H LEU 6 H LEU 6 -1.361 1.673 -8.005 33 HA LEU 6 HA LEU 6 -3.663 2.007 -9.675 34 HB2 LEU 6 HB2 LEU 6 -2.060 1.366 -11.501 35 HB3 LEU 6 HB3 LEU 6 -1.616 2.781 -10.549 36 HG LEU 6 HG LEU 6 -0.431 0.340 -9.509 37 HD11 LEU 6 HD11 LEU 6 1.251 0.610 -11.611 38 HD12 LEU 6 HD12 LEU 6 -0.308 0.848 -12.399 39 HD13 LEU 6 HD13 LEU 6 0.002 -0.629 -11.487 40 HD21 LEU 6 HD21 LEU 6 0.438 2.356 -8.733 41 HD22 LEU 6 HD22 LEU 6 0.476 3.072 -10.344 42 HD23 LEU 6 HD23 LEU 6 1.636 1.816 -9.909 43 H LYS 7 H LYS 7 -1.727 -0.722 -8.569 44 HA LYS 7 HA LYS 7 -2.823 -2.702 -10.222 45 HB2 LYS 7 HB2 LYS 7 -1.458 -2.719 -7.557 46 HB3 LYS 7 HB3 LYS 7 -2.197 -4.198 -8.155 47 HG2 LYS 7 HG2 LYS 7 -0.156 -4.519 -9.040 48 HG3 LYS 7 HG3 LYS 7 -0.793 -3.493 -10.328 49 HD2 LYS 7 HD2 LYS 7 0.212 -1.534 -9.275 50 HD3 LYS 7 HD3 LYS 7 0.823 -2.542 -7.961 51 HE2 LYS 7 HE2 LYS 7 1.932 -3.888 -9.909 52 HE3 LYS 7 HE3 LYS 7 1.704 -2.390 -10.810 53 HZ1 LYS 7 HZ1 LYS 7 3.170 -2.648 -8.240 54 HZ2 LYS 7 HZ2 LYS 7 2.962 -1.218 -9.117 55 HZ3 LYS 7 HZ3 LYS 7 3.882 -2.481 -9.765 56 H VAL 8 H VAL 8 -3.731 -1.732 -6.917 57 HA VAL 8 HA VAL 8 -5.945 -3.497 -6.743 58 HB VAL 8 HB VAL 8 -6.570 -2.309 -4.747 59 HG11 VAL 8 HG11 VAL 8 -4.284 -3.648 -5.016 60 HG12 VAL 8 HG12 VAL 8 -3.622 -2.081 -4.547 61 HG13 VAL 8 HG13 VAL 8 -4.771 -2.905 -3.493 62 HG21 VAL 8 HG21 VAL 8 -5.303 -0.235 -4.093 63 HG22 VAL 8 HG22 VAL 8 -4.708 -0.164 -5.751 64 HG23 VAL 8 HG23 VAL 8 -6.437 -0.035 -5.428 65 H LEU 9 H LEU 9 -5.505 -0.359 -8.129 66 HA LEU 9 HA LEU 9 -8.258 0.405 -8.143 67 HB2 LEU 9 HB2 LEU 9 -5.724 1.471 -9.103 68 HB3 LEU 9 HB3 LEU 9 -7.060 1.784 -10.208 69 HG LEU 9 HG LEU 9 -8.236 3.036 -8.572 70 HD11 LEU 9 HD11 LEU 9 -6.602 1.508 -6.719 71 HD12 LEU 9 HD12 LEU 9 -8.160 2.296 -6.473 72 HD13 LEU 9 HD13 LEU 9 -6.669 3.224 -6.313 73 HD21 LEU 9 HD21 LEU 9 -5.318 3.761 -8.331 74 HD22 LEU 9 HD22 LEU 9 -6.697 4.834 -8.089 75 HD23 LEU 9 HD23 LEU 9 -6.358 4.183 -9.693 76 H THR 10 H THR 10 -6.131 -1.301 -10.353 77 HA THR 10 HA THR 10 -8.027 -1.324 -12.515 78 HB THR 10 HB THR 10 -6.395 -3.166 -13.377 79 HG1 THR 10 HG1 THR 10 -4.696 -3.538 -12.168 80 HG21 THR 10 HG21 THR 10 -6.486 -0.413 -13.616 81 HG22 THR 10 HG22 THR 10 -5.520 -1.510 -14.604 82 HG23 THR 10 HG23 THR 10 -4.806 -0.734 -13.190 83 H THR 11 H THR 11 -7.132 -3.458 -9.884 84 HA THR 11 HA THR 11 -8.733 -5.650 -10.890 85 HB THR 11 HB THR 11 -6.586 -5.920 -9.534 86 HG1 THR 11 HG1 THR 11 -7.324 -7.869 -9.084 87 HG21 THR 11 HG21 THR 11 -8.300 -5.722 -7.102 88 HG22 THR 11 HG22 THR 11 -7.599 -4.246 -7.767 89 HG23 THR 11 HG23 THR 11 -6.551 -5.571 -7.263 90 H GLY 12 H GLY 12 -9.035 -3.030 -8.602 91 HA2 GLY 12 HA2 GLY 12 -11.350 -4.078 -7.272 92 HA3 GLY 12 HA3 GLY 12 -10.733 -2.436 -7.154 93 H LEU 13 H LEU 13 -10.835 -2.420 -10.232 94 HA LEU 13 HA LEU 13 -13.288 -1.054 -10.461 95 HB2 LEU 13 HB2 LEU 13 -11.835 -0.334 -12.049 96 HB3 LEU 13 HB3 LEU 13 -11.147 -1.937 -12.302 97 HG LEU 13 HG LEU 13 -13.140 -2.550 -13.624 98 HD11 LEU 13 HD11 LEU 13 -13.894 0.332 -13.173 99 HD12 LEU 13 HD12 LEU 13 -14.789 -1.098 -12.660 100 HD13 LEU 13 HD13 LEU 13 -14.637 -0.721 -14.376 101 HD21 LEU 13 HD21 LEU 13 -11.313 -0.330 -14.368 102 HD22 LEU 13 HD22 LEU 13 -12.654 -0.696 -15.453 103 HD23 LEU 13 HD23 LEU 13 -11.473 -1.946 -15.057 104 HA PRO 14 HA PRO 14 -14.880 -4.942 -12.851 105 HB2 PRO 14 HB2 PRO 14 -13.373 -7.194 -12.702 106 HB3 PRO 14 HB3 PRO 14 -13.158 -5.976 -13.965 107 HG2 PRO 14 HG2 PRO 14 -11.598 -6.385 -11.442 108 HG3 PRO 14 HG3 PRO 14 -11.010 -6.021 -13.075 109 HD2 PRO 14 HD2 PRO 14 -11.240 -4.127 -11.153 110 HD3 PRO 14 HD3 PRO 14 -11.474 -3.772 -12.877 111 H ALA 15 H ALA 15 -13.200 -5.319 -9.806 112 HA ALA 15 HA ALA 15 -14.955 -7.413 -8.862 113 HB1 ALA 15 HB1 ALA 15 -13.239 -5.913 -6.967 114 HB2 ALA 15 HB2 ALA 15 -13.528 -7.648 -7.110 115 HB3 ALA 15 HB3 ALA 15 -12.434 -6.841 -8.233 116 H LEU 16 H LEU 16 -14.766 -3.948 -8.714 117 HA LEU 16 HA LEU 16 -16.358 -3.467 -6.458 118 HB2 LEU 16 HB2 LEU 16 -15.119 -1.676 -7.403 119 HB3 LEU 16 HB3 LEU 16 -15.895 -1.882 -8.972 120 HG LEU 16 HG LEU 16 -17.849 -1.288 -6.935 121 HD11 LEU 16 HD11 LEU 16 -15.714 0.799 -7.331 122 HD12 LEU 16 HD12 LEU 16 -15.895 -0.179 -5.875 123 HD13 LEU 16 HD13 LEU 16 -17.175 0.937 -6.354 124 HD21 LEU 16 HD21 LEU 16 -16.963 -0.176 -9.566 125 HD22 LEU 16 HD22 LEU 16 -18.119 0.708 -8.570 126 HD23 LEU 16 HD23 LEU 16 -18.499 -0.923 -9.125 127 H ILE 17 H ILE 17 -17.343 -3.342 -9.888 128 HA ILE 17 HA ILE 17 -20.119 -3.275 -9.275 129 HB ILE 17 HB ILE 17 -20.527 -3.364 -11.592 130 HG12 ILE 17 HG12 ILE 17 -19.097 -5.424 -11.941 131 HG13 ILE 17 HG13 ILE 17 -19.043 -4.239 -13.242 132 HG21 ILE 17 HG21 ILE 17 -18.926 -1.750 -12.540 133 HG22 ILE 17 HG22 ILE 17 -19.438 -1.313 -10.910 134 HG23 ILE 17 HG23 ILE 17 -17.852 -2.039 -11.172 135 HD11 ILE 17 HD11 ILE 17 -16.835 -5.060 -12.827 136 HD12 ILE 17 HD12 ILE 17 -16.924 -3.379 -12.299 137 HD13 ILE 17 HD13 ILE 17 -16.969 -4.681 -11.110 138 H SER 18 H SER 18 -17.818 -5.825 -9.871 139 HA SER 18 HA SER 18 -19.539 -7.920 -10.527 140 HB2 SER 18 HB2 SER 18 -17.219 -8.320 -10.776 141 HB3 SER 18 HB3 SER 18 -16.878 -7.858 -9.108 142 HG SER 18 HG SER 18 -18.456 -10.102 -9.825 143 H TRP 19 H TRP 19 -18.835 -6.423 -7.459 144 HA TRP 19 HA TRP 19 -19.818 -8.441 -5.759 145 HB2 TRP 19 HB2 TRP 19 -18.452 -6.533 -4.980 146 HB3 TRP 19 HB3 TRP 19 -19.802 -5.449 -5.306 147 HD1 TRP 19 HD1 TRP 19 -21.992 -5.727 -3.697 148 HE1 TRP 19 HE1 TRP 19 -22.173 -6.544 -1.263 149 HE3 TRP 19 HE3 TRP 19 -17.483 -8.103 -3.301 150 HZ2 TRP 19 HZ2 TRP 19 -20.610 -8.001 0.581 151 HZ3 TRP 19 HZ3 TRP 19 -16.902 -9.183 -1.168 152 HH2 TRP 19 HH2 TRP 19 -18.434 -9.131 0.732 153 H ILE 20 H ILE 20 -21.405 -5.539 -7.077 154 HA ILE 20 HA ILE 20 -23.954 -6.204 -5.969 155 HB ILE 20 HB ILE 20 -23.421 -3.885 -6.417 156 HG12 ILE 20 HG12 ILE 20 -25.578 -4.781 -8.338 157 HG13 ILE 20 HG13 ILE 20 -25.791 -4.694 -6.593 158 HG21 ILE 20 HG21 ILE 20 -23.236 -4.738 -9.302 159 HG22 ILE 20 HG22 ILE 20 -23.266 -3.063 -8.754 160 HG23 ILE 20 HG23 ILE 20 -21.932 -4.119 -8.289 161 HD11 ILE 20 HD11 ILE 20 -26.090 -2.645 -8.532 162 HD12 ILE 20 HD12 ILE 20 -26.370 -2.575 -6.791 163 HD13 ILE 20 HD13 ILE 20 -24.775 -2.202 -7.444 164 H LYS 21 H LYS 21 -22.328 -6.804 -9.004 165 HA LYS 21 HA LYS 21 -24.552 -7.536 -10.558 166 HB2 LYS 21 HB2 LYS 21 -21.630 -8.232 -10.679 167 HB3 LYS 21 HB3 LYS 21 -22.776 -8.941 -11.809 168 HG2 LYS 21 HG2 LYS 21 -22.229 -6.003 -11.440 169 HG3 LYS 21 HG3 LYS 21 -21.691 -7.010 -12.786 170 HD2 LYS 21 HD2 LYS 21 -24.289 -7.512 -12.960 171 HD3 LYS 21 HD3 LYS 21 -24.396 -5.939 -12.167 172 HE2 LYS 21 HE2 LYS 21 -22.579 -5.394 -14.086 173 HE3 LYS 21 HE3 LYS 21 -23.528 -6.639 -14.897 174 HZ1 LYS 21 HZ1 LYS 21 -24.785 -4.869 -15.447 175 HZ2 LYS 21 HZ2 LYS 21 -24.283 -3.939 -14.126 176 HZ3 LYS 21 HZ3 LYS 21 -25.471 -5.125 -13.922 177 H ARG 22 H ARG 22 -22.270 -9.589 -8.742 178 HA ARG 22 HA ARG 22 -23.488 -12.037 -9.232 179 HB2 ARG 22 HB2 ARG 22 -22.320 -12.853 -7.256 180 HB3 ARG 22 HB3 ARG 22 -21.273 -11.795 -8.192 181 HG2 ARG 22 HG2 ARG 22 -21.387 -10.084 -6.624 182 HG3 ARG 22 HG3 ARG 22 -22.850 -10.735 -5.881 183 HD2 ARG 22 HD2 ARG 22 -21.371 -11.448 -4.323 184 HD3 ARG 22 HD3 ARG 22 -21.199 -12.793 -5.450 185 HE ARG 22 HE ARG 22 -19.357 -10.906 -6.244 186 HH11 ARG 22 HH11 ARG 22 -20.002 -12.763 -3.371 187 HH12 ARG 22 HH12 ARG 22 -18.343 -12.815 -2.875 188 HH21 ARG 22 HH21 ARG 22 -17.170 -10.967 -5.601 189 HH22 ARG 22 HH22 ARG 22 -16.733 -11.793 -4.144 190 H LYS 23 H LYS 23 -24.410 -9.470 -7.089 191 HA LYS 23 HA LYS 23 -25.973 -10.755 -5.216 192 HB2 LYS 23 HB2 LYS 23 -25.446 -8.266 -5.420 193 HB3 LYS 23 HB3 LYS 23 -26.796 -8.176 -6.544 194 HG2 LYS 23 HG2 LYS 23 -28.350 -8.417 -4.915 195 HG3 LYS 23 HG3 LYS 23 -27.317 -9.453 -3.928 196 HD2 LYS 23 HD2 LYS 23 -27.546 -7.416 -2.741 197 HD3 LYS 23 HD3 LYS 23 -25.928 -7.398 -3.446 198 HE2 LYS 23 HE2 LYS 23 -27.060 -5.236 -3.694 199 HE3 LYS 23 HE3 LYS 23 -26.709 -5.977 -5.255 200 HZ1 LYS 23 HZ1 LYS 23 -28.946 -6.562 -5.547 201 HZ2 LYS 23 HZ2 LYS 23 -28.989 -4.973 -4.971 202 HZ3 LYS 23 HZ3 LYS 23 -29.341 -6.259 -3.930 203 H ARG 24 H ARG 24 -26.949 -9.635 -8.448 204 HA ARG 24 HA ARG 24 -29.238 -11.483 -8.289 205 HB2 ARG 24 HB2 ARG 24 -30.106 -9.677 -10.099 206 HB3 ARG 24 HB3 ARG 24 -30.462 -9.581 -8.380 207 HG2 ARG 24 HG2 ARG 24 -29.005 -7.850 -8.031 208 HG3 ARG 24 HG3 ARG 24 -27.985 -8.289 -9.403 209 HD2 ARG 24 HD2 ARG 24 -30.781 -7.425 -9.936 210 HD3 ARG 24 HD3 ARG 24 -29.600 -6.197 -9.482 211 HE ARG 24 HE ARG 24 -28.370 -7.605 -11.461 212 HH11 ARG 24 HH11 ARG 24 -31.413 -5.939 -11.175 213 HH12 ARG 24 HH12 ARG 24 -31.490 -5.520 -12.855 214 HH21 ARG 24 HH21 ARG 24 -28.460 -7.059 -13.674 215 HH22 ARG 24 HH22 ARG 24 -29.810 -6.158 -14.275 216 H GLN 25 H GLN 25 -27.847 -9.504 -10.896 217 HA GLN 25 HA GLN 25 -27.026 -11.926 -12.305 218 HB2 GLN 25 HB2 GLN 25 -29.198 -10.080 -13.148 219 HB3 GLN 25 HB3 GLN 25 -28.110 -10.666 -14.399 220 HG2 GLN 25 HG2 GLN 25 -28.639 -12.993 -13.276 221 HG3 GLN 25 HG3 GLN 25 -30.094 -12.142 -12.762 222 HE21 GLN 25 HE21 GLN 25 -28.242 -13.256 -15.502 223 HE22 GLN 25 HE22 GLN 25 -29.523 -13.161 -16.657 224 H GLN 26 H GLN 26 -25.823 -11.344 -14.363 225 HA GLN 26 HA GLN 26 -23.873 -9.322 -13.703 226 HB2 GLN 26 HB2 GLN 26 -24.105 -11.452 -15.791 227 HB3 GLN 26 HB3 GLN 26 -22.950 -10.146 -16.019 228 HG2 GLN 26 HG2 GLN 26 -21.709 -10.757 -14.136 229 HG3 GLN 26 HG3 GLN 26 -23.010 -11.762 -13.498 230 HE21 GLN 26 HE21 GLN 26 -20.917 -11.484 -16.347 231 HE22 GLN 26 HE22 GLN 26 -20.674 -13.183 -16.547 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.062 -2.184 0.792 2 HA2 GLY 1 HA2 GLY 1 1.241 -3.375 -1.332 3 HA3 GLY 1 HA3 GLY 1 -0.445 -3.268 -1.816 4 H ILE 2 H ILE 2 2.482 -1.523 -1.205 5 HA ILE 2 HA ILE 2 1.390 1.099 -1.391 6 HB ILE 2 HB ILE 2 4.221 0.193 -1.925 7 HG12 ILE 2 HG12 ILE 2 3.484 -0.422 0.324 8 HG13 ILE 2 HG13 ILE 2 4.651 0.893 0.399 9 HG21 ILE 2 HG21 ILE 2 2.910 2.851 -1.762 10 HG22 ILE 2 HG22 ILE 2 4.525 2.682 -1.075 11 HG23 ILE 2 HG23 ILE 2 4.247 2.307 -2.776 12 HD11 ILE 2 HD11 ILE 2 2.858 1.273 1.962 13 HD12 ILE 2 HD12 ILE 2 2.801 2.483 0.680 14 HD13 ILE 2 HD13 ILE 2 1.665 1.134 0.671 15 H GLY 3 H GLY 3 3.615 -0.490 -3.685 16 HA2 GLY 3 HA2 GLY 3 3.023 1.220 -5.829 17 HA3 GLY 3 HA3 GLY 3 3.766 -0.366 -5.971 18 H ALA 4 H ALA 4 1.201 -1.355 -4.523 19 HA ALA 4 HA ALA 4 -0.170 -2.080 -6.937 20 HB1 ALA 4 HB1 ALA 4 -1.644 -2.730 -4.553 21 HB2 ALA 4 HB2 ALA 4 -0.865 -3.801 -5.718 22 HB3 ALA 4 HB3 ALA 4 0.060 -3.148 -4.366 23 H VAL 5 H VAL 5 -0.443 0.452 -4.658 24 HA VAL 5 HA VAL 5 -3.137 1.031 -4.579 25 HB VAL 5 HB VAL 5 -1.364 2.270 -3.342 26 HG11 VAL 5 HG11 VAL 5 -1.015 3.997 -5.760 27 HG12 VAL 5 HG12 VAL 5 0.005 3.861 -4.326 28 HG13 VAL 5 HG13 VAL 5 -0.006 2.570 -5.528 29 HG21 VAL 5 HG21 VAL 5 -3.270 3.984 -4.932 30 HG22 VAL 5 HG22 VAL 5 -3.655 3.113 -3.448 31 HG23 VAL 5 HG23 VAL 5 -2.492 4.438 -3.415 32 H LEU 6 H LEU 6 -0.802 1.754 -7.126 33 HA LEU 6 HA LEU 6 -2.672 3.258 -8.700 34 HB2 LEU 6 HB2 LEU 6 -0.892 3.034 -10.466 35 HB3 LEU 6 HB3 LEU 6 -0.408 3.835 -8.973 36 HG LEU 6 HG LEU 6 0.173 1.009 -8.861 37 HD11 LEU 6 HD11 LEU 6 2.044 1.155 -10.555 38 HD12 LEU 6 HD12 LEU 6 1.210 2.559 -11.219 39 HD13 LEU 6 HD13 LEU 6 0.414 0.986 -11.207 40 HD21 LEU 6 HD21 LEU 6 1.537 3.614 -8.450 41 HD22 LEU 6 HD22 LEU 6 2.543 2.185 -8.692 42 HD23 LEU 6 HD23 LEU 6 1.381 2.231 -7.366 43 H LYS 7 H LYS 7 -1.639 -0.068 -8.497 44 HA LYS 7 HA LYS 7 -2.724 -0.909 -10.993 45 HB2 LYS 7 HB2 LYS 7 -1.784 -2.322 -8.519 46 HB3 LYS 7 HB3 LYS 7 -2.619 -3.215 -9.783 47 HG2 LYS 7 HG2 LYS 7 -0.475 -3.525 -10.459 48 HG3 LYS 7 HG3 LYS 7 -0.830 -2.024 -11.317 49 HD2 LYS 7 HD2 LYS 7 0.872 -1.051 -10.270 50 HD3 LYS 7 HD3 LYS 7 0.054 -1.313 -8.728 51 HE2 LYS 7 HE2 LYS 7 2.241 -2.283 -8.599 52 HE3 LYS 7 HE3 LYS 7 1.057 -3.589 -8.655 53 HZ1 LYS 7 HZ1 LYS 7 2.211 -4.402 -10.346 54 HZ2 LYS 7 HZ2 LYS 7 3.190 -3.027 -10.443 55 HZ3 LYS 7 HZ3 LYS 7 1.719 -3.077 -11.277 56 H VAL 8 H VAL 8 -3.872 -1.222 -7.635 57 HA VAL 8 HA VAL 8 -6.254 -2.529 -8.075 58 HB VAL 8 HB VAL 8 -7.111 -1.405 -6.035 59 HG11 VAL 8 HG11 VAL 8 -5.777 -3.373 -5.758 60 HG12 VAL 8 HG12 VAL 8 -4.285 -2.449 -5.944 61 HG13 VAL 8 HG13 VAL 8 -5.301 -2.210 -4.521 62 HG21 VAL 8 HG21 VAL 8 -5.808 0.230 -4.871 63 HG22 VAL 8 HG22 VAL 8 -4.498 0.098 -6.044 64 HG23 VAL 8 HG23 VAL 8 -6.043 0.800 -6.523 65 H LEU 9 H LEU 9 -5.433 0.783 -8.755 66 HA LEU 9 HA LEU 9 -7.892 2.015 -8.882 67 HB2 LEU 9 HB2 LEU 9 -5.686 2.382 -10.899 68 HB3 LEU 9 HB3 LEU 9 -6.932 3.548 -10.461 69 HG LEU 9 HG LEU 9 -4.569 2.663 -8.817 70 HD11 LEU 9 HD11 LEU 9 -5.428 5.408 -9.709 71 HD12 LEU 9 HD12 LEU 9 -4.254 4.412 -10.568 72 HD13 LEU 9 HD13 LEU 9 -3.914 4.956 -8.925 73 HD21 LEU 9 HD21 LEU 9 -6.391 2.765 -7.285 74 HD22 LEU 9 HD22 LEU 9 -6.989 4.262 -8.001 75 HD23 LEU 9 HD23 LEU 9 -5.468 4.258 -7.107 76 H THR 10 H THR 10 -6.425 -0.204 -11.177 77 HA THR 10 HA THR 10 -8.644 0.103 -13.040 78 HB THR 10 HB THR 10 -6.463 -1.932 -13.362 79 HG1 THR 10 HG1 THR 10 -6.286 0.878 -13.765 80 HG21 THR 10 HG21 THR 10 -7.439 -0.250 -15.587 81 HG22 THR 10 HG22 THR 10 -8.611 -1.368 -14.889 82 HG23 THR 10 HG23 THR 10 -7.090 -1.978 -15.539 83 H THR 11 H THR 11 -7.371 -2.202 -10.723 84 HA THR 11 HA THR 11 -9.004 -4.395 -11.462 85 HB THR 11 HB THR 11 -8.070 -4.000 -8.641 86 HG1 THR 11 HG1 THR 11 -5.991 -4.520 -9.244 87 HG21 THR 11 HG21 THR 11 -8.030 -6.420 -10.444 88 HG22 THR 11 HG22 THR 11 -9.348 -6.028 -9.341 89 HG23 THR 11 HG23 THR 11 -7.741 -6.380 -8.706 90 H GLY 12 H GLY 12 -9.620 -1.507 -9.694 91 HA2 GLY 12 HA2 GLY 12 -11.828 -2.472 -8.155 92 HA3 GLY 12 HA3 GLY 12 -11.420 -0.788 -8.446 93 H LEU 13 H LEU 13 -11.457 -1.457 -11.426 94 HA LEU 13 HA LEU 13 -14.078 -0.555 -11.937 95 HB2 LEU 13 HB2 LEU 13 -12.699 0.026 -13.644 96 HB3 LEU 13 HB3 LEU 13 -11.775 -1.472 -13.551 97 HG LEU 13 HG LEU 13 -13.615 -2.643 -14.709 98 HD11 LEU 13 HD11 LEU 13 -15.471 -1.512 -15.614 99 HD12 LEU 13 HD12 LEU 13 -14.794 0.071 -15.233 100 HD13 LEU 13 HD13 LEU 13 -15.363 -0.980 -13.936 101 HD21 LEU 13 HD21 LEU 13 -11.756 -1.837 -16.012 102 HD22 LEU 13 HD22 LEU 13 -12.473 -0.228 -16.110 103 HD23 LEU 13 HD23 LEU 13 -13.248 -1.591 -16.921 104 HA PRO 14 HA PRO 14 -15.004 -5.053 -13.443 105 HB2 PRO 14 HB2 PRO 14 -13.180 -6.969 -12.832 106 HB3 PRO 14 HB3 PRO 14 -13.116 -6.023 -14.323 107 HG2 PRO 14 HG2 PRO 14 -11.582 -5.654 -11.779 108 HG3 PRO 14 HG3 PRO 14 -11.011 -5.553 -13.455 109 HD2 PRO 14 HD2 PRO 14 -11.574 -3.358 -11.974 110 HD3 PRO 14 HD3 PRO 14 -11.812 -3.410 -13.732 111 H ALA 15 H ALA 15 -13.372 -4.522 -10.395 112 HA ALA 15 HA ALA 15 -14.816 -6.617 -9.022 113 HB1 ALA 15 HB1 ALA 15 -13.734 -5.440 -6.985 114 HB2 ALA 15 HB2 ALA 15 -12.705 -6.318 -8.118 115 HB3 ALA 15 HB3 ALA 15 -12.807 -4.559 -8.200 116 H LEU 16 H LEU 16 -15.156 -3.211 -9.609 117 HA LEU 16 HA LEU 16 -16.864 -2.519 -7.498 118 HB2 LEU 16 HB2 LEU 16 -15.897 -0.785 -8.783 119 HB3 LEU 16 HB3 LEU 16 -16.546 -1.441 -10.285 120 HG LEU 16 HG LEU 16 -18.643 -0.725 -8.407 121 HD11 LEU 16 HD11 LEU 16 -18.061 1.805 -9.165 122 HD12 LEU 16 HD12 LEU 16 -16.446 1.172 -8.852 123 HD13 LEU 16 HD13 LEU 16 -17.672 1.125 -7.585 124 HD21 LEU 16 HD21 LEU 16 -19.321 -1.065 -10.591 125 HD22 LEU 16 HD22 LEU 16 -17.929 -0.218 -11.266 126 HD23 LEU 16 HD23 LEU 16 -19.229 0.694 -10.499 127 H ILE 17 H ILE 17 -17.760 -3.261 -10.873 128 HA ILE 17 HA ILE 17 -20.530 -3.492 -10.278 129 HB ILE 17 HB ILE 17 -20.854 -4.124 -12.523 130 HG12 ILE 17 HG12 ILE 17 -19.127 -5.972 -12.435 131 HG13 ILE 17 HG13 ILE 17 -19.209 -5.090 -13.956 132 HG21 ILE 17 HG21 ILE 17 -20.098 -1.835 -12.290 133 HG22 ILE 17 HG22 ILE 17 -18.417 -2.354 -12.403 134 HG23 ILE 17 HG23 ILE 17 -19.486 -2.520 -13.795 135 HD11 ILE 17 HD11 ILE 17 -16.917 -5.467 -13.381 136 HD12 ILE 17 HD12 ILE 17 -17.268 -3.745 -13.221 137 HD13 ILE 17 HD13 ILE 17 -17.157 -4.760 -11.783 138 H SER 18 H SER 18 -17.857 -5.726 -10.315 139 HA SER 18 HA SER 18 -19.234 -8.149 -10.508 140 HB2 SER 18 HB2 SER 18 -16.874 -8.235 -10.692 141 HB3 SER 18 HB3 SER 18 -16.644 -7.394 -9.159 142 HG SER 18 HG SER 18 -16.471 -9.341 -8.385 143 H TRP 19 H TRP 19 -18.659 -6.037 -7.760 144 HA TRP 19 HA TRP 19 -19.425 -7.756 -5.697 145 HB2 TRP 19 HB2 TRP 19 -18.362 -5.648 -5.201 146 HB3 TRP 19 HB3 TRP 19 -19.689 -4.754 -5.938 147 HD1 TRP 19 HD1 TRP 19 -18.743 -6.627 -2.750 148 HE1 TRP 19 HE1 TRP 19 -20.481 -6.093 -0.929 149 HE3 TRP 19 HE3 TRP 19 -22.148 -4.092 -5.598 150 HZ2 TRP 19 HZ2 TRP 19 -22.968 -4.772 -0.726 151 HZ3 TRP 19 HZ3 TRP 19 -24.181 -3.226 -4.514 152 HH2 TRP 19 HH2 TRP 19 -24.580 -3.561 -2.129 153 H ILE 20 H ILE 20 -21.403 -5.375 -7.466 154 HA ILE 20 HA ILE 20 -23.836 -6.188 -6.225 155 HB ILE 20 HB ILE 20 -23.608 -3.940 -7.125 156 HG12 ILE 20 HG12 ILE 20 -25.666 -5.513 -8.687 157 HG13 ILE 20 HG13 ILE 20 -25.852 -5.003 -7.013 158 HG21 ILE 20 HG21 ILE 20 -23.574 -3.554 -9.556 159 HG22 ILE 20 HG22 ILE 20 -22.134 -4.398 -8.990 160 HG23 ILE 20 HG23 ILE 20 -23.412 -5.291 -9.813 161 HD11 ILE 20 HD11 ILE 20 -26.413 -3.567 -9.411 162 HD12 ILE 20 HD12 ILE 20 -26.736 -3.114 -7.737 163 HD13 ILE 20 HD13 ILE 20 -25.190 -2.702 -8.480 164 H LYS 21 H LYS 21 -22.129 -7.105 -9.137 165 HA LYS 21 HA LYS 21 -24.189 -8.401 -10.511 166 HB2 LYS 21 HB2 LYS 21 -21.219 -8.569 -10.501 167 HB3 LYS 21 HB3 LYS 21 -22.099 -9.885 -11.266 168 HG2 LYS 21 HG2 LYS 21 -23.136 -8.391 -12.810 169 HG3 LYS 21 HG3 LYS 21 -22.501 -6.984 -11.954 170 HD2 LYS 21 HD2 LYS 21 -20.191 -7.864 -12.471 171 HD3 LYS 21 HD3 LYS 21 -20.967 -9.033 -13.542 172 HE2 LYS 21 HE2 LYS 21 -21.272 -6.040 -13.755 173 HE3 LYS 21 HE3 LYS 21 -20.145 -7.002 -14.710 174 HZ1 LYS 21 HZ1 LYS 21 -23.061 -6.834 -14.888 175 HZ2 LYS 21 HZ2 LYS 21 -22.334 -8.315 -15.259 176 HZ3 LYS 21 HZ3 LYS 21 -21.908 -6.924 -16.123 177 H ARG 22 H ARG 22 -21.729 -9.840 -8.362 178 HA ARG 22 HA ARG 22 -22.728 -12.431 -8.346 179 HB2 ARG 22 HB2 ARG 22 -21.486 -12.736 -6.258 180 HB3 ARG 22 HB3 ARG 22 -20.536 -11.837 -7.433 181 HG2 ARG 22 HG2 ARG 22 -20.743 -9.842 -6.264 182 HG3 ARG 22 HG3 ARG 22 -22.146 -10.409 -5.356 183 HD2 ARG 22 HD2 ARG 22 -20.882 -11.495 -3.822 184 HD3 ARG 22 HD3 ARG 22 -19.651 -11.946 -5.001 185 HE ARG 22 HE ARG 22 -19.705 -9.138 -4.355 186 HH11 ARG 22 HH11 ARG 22 -18.423 -12.267 -3.523 187 HH12 ARG 22 HH12 ARG 22 -17.030 -11.626 -2.717 188 HH21 ARG 22 HH21 ARG 22 -17.874 -8.283 -3.296 189 HH22 ARG 22 HH22 ARG 22 -16.719 -9.360 -2.588 190 H LYS 23 H LYS 23 -23.854 -9.592 -6.703 191 HA LYS 23 HA LYS 23 -25.293 -10.669 -4.594 192 HB2 LYS 23 HB2 LYS 23 -24.916 -8.202 -5.264 193 HB3 LYS 23 HB3 LYS 23 -26.358 -8.395 -6.251 194 HG2 LYS 23 HG2 LYS 23 -27.221 -7.527 -4.307 195 HG3 LYS 23 HG3 LYS 23 -27.433 -9.261 -4.052 196 HD2 LYS 23 HD2 LYS 23 -25.718 -9.375 -2.505 197 HD3 LYS 23 HD3 LYS 23 -24.929 -7.920 -3.120 198 HE2 LYS 23 HE2 LYS 23 -26.754 -6.559 -2.211 199 HE3 LYS 23 HE3 LYS 23 -27.527 -8.015 -1.588 200 HZ1 LYS 23 HZ1 LYS 23 -25.932 -8.281 0.024 201 HZ2 LYS 23 HZ2 LYS 23 -26.037 -6.594 -0.046 202 HZ3 LYS 23 HZ3 LYS 23 -24.759 -7.394 -0.813 203 H ARG 24 H ARG 24 -26.455 -10.003 -7.899 204 HA ARG 24 HA ARG 24 -28.556 -12.021 -7.455 205 HB2 ARG 24 HB2 ARG 24 -29.650 -10.489 -9.391 206 HB3 ARG 24 HB3 ARG 24 -29.950 -10.251 -7.675 207 HG2 ARG 24 HG2 ARG 24 -28.639 -8.376 -7.562 208 HG3 ARG 24 HG3 ARG 24 -27.641 -8.859 -8.935 209 HD2 ARG 24 HD2 ARG 24 -28.941 -7.071 -9.726 210 HD3 ARG 24 HD3 ARG 24 -29.721 -8.520 -10.361 211 HE ARG 24 HE ARG 24 -30.870 -7.764 -7.883 212 HH11 ARG 24 HH11 ARG 24 -30.772 -6.893 -11.252 213 HH12 ARG 24 HH12 ARG 24 -32.349 -6.176 -11.247 214 HH21 ARG 24 HH21 ARG 24 -32.947 -6.823 -7.863 215 HH22 ARG 24 HH22 ARG 24 -33.585 -6.136 -9.318 216 H GLN 25 H GLN 25 -27.451 -10.205 -10.306 217 HA GLN 25 HA GLN 25 -26.590 -12.729 -11.530 218 HB2 GLN 25 HB2 GLN 25 -28.732 -10.901 -12.460 219 HB3 GLN 25 HB3 GLN 25 -27.641 -11.523 -13.691 220 HG2 GLN 25 HG2 GLN 25 -28.167 -13.820 -12.536 221 HG3 GLN 25 HG3 GLN 25 -29.611 -12.964 -11.997 222 HE21 GLN 25 HE21 GLN 25 -28.497 -14.963 -14.287 223 HE22 GLN 25 HE22 GLN 25 -29.544 -14.552 -15.598 224 H GLN 26 H GLN 26 -25.215 -12.413 -13.440 225 HA GLN 26 HA GLN 26 -23.227 -10.441 -12.941 226 HB2 GLN 26 HB2 GLN 26 -22.718 -12.671 -13.875 227 HB3 GLN 26 HB3 GLN 26 -23.573 -12.236 -15.349 228 HG2 GLN 26 HG2 GLN 26 -21.521 -11.702 -16.069 229 HG3 GLN 26 HG3 GLN 26 -21.829 -10.197 -15.204 230 HE21 GLN 26 HE21 GLN 26 -19.302 -10.669 -15.555 231 HE22 GLN 26 HE22 GLN 26 -18.528 -11.270 -14.133 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -0.602 -4.372 -0.911 2 HA2 GLY 1 HA2 GLY 1 1.513 -3.494 -0.671 3 HA3 GLY 1 HA3 GLY 1 1.669 -3.908 -2.372 4 H ILE 2 H ILE 2 3.070 -1.793 -1.354 5 HA ILE 2 HA ILE 2 1.816 0.707 -1.489 6 HB ILE 2 HB ILE 2 4.685 0.060 -2.181 7 HG12 ILE 2 HG12 ILE 2 4.073 -0.756 0.049 8 HG13 ILE 2 HG13 ILE 2 5.164 0.620 0.164 9 HG21 ILE 2 HG21 ILE 2 3.163 2.558 -1.959 10 HG22 ILE 2 HG22 ILE 2 4.689 2.540 -1.076 11 HG23 ILE 2 HG23 ILE 2 4.670 2.216 -2.809 12 HD11 ILE 2 HD11 ILE 2 2.179 0.705 0.534 13 HD12 ILE 2 HD12 ILE 2 3.389 0.746 1.817 14 HD13 ILE 2 HD13 ILE 2 3.280 2.077 0.665 15 H GLY 3 H GLY 3 3.507 -1.161 -3.998 16 HA2 GLY 3 HA2 GLY 3 2.997 0.811 -6.030 17 HA3 GLY 3 HA3 GLY 3 3.682 -0.788 -6.276 18 H ALA 4 H ALA 4 1.198 -1.755 -4.678 19 HA ALA 4 HA ALA 4 -0.361 -2.362 -7.010 20 HB1 ALA 4 HB1 ALA 4 -0.712 -4.161 -5.752 21 HB2 ALA 4 HB2 ALA 4 -0.140 -3.340 -4.299 22 HB3 ALA 4 HB3 ALA 4 -1.824 -3.181 -4.796 23 H VAL 5 H VAL 5 -0.424 0.066 -4.588 24 HA VAL 5 HA VAL 5 -3.100 0.709 -4.358 25 HB VAL 5 HB VAL 5 -1.242 1.807 -3.109 26 HG11 VAL 5 HG11 VAL 5 0.120 3.446 -4.037 27 HG12 VAL 5 HG12 VAL 5 0.053 2.221 -5.304 28 HG13 VAL 5 HG13 VAL 5 -0.936 3.675 -5.430 29 HG21 VAL 5 HG21 VAL 5 -3.421 2.757 -2.927 30 HG22 VAL 5 HG22 VAL 5 -2.283 4.089 -3.128 31 HG23 VAL 5 HG23 VAL 5 -3.267 3.557 -4.491 32 H LEU 6 H LEU 6 -0.829 1.568 -6.925 33 HA LEU 6 HA LEU 6 -2.722 3.208 -8.326 34 HB2 LEU 6 HB2 LEU 6 -1.005 3.122 -10.149 35 HB3 LEU 6 HB3 LEU 6 -0.443 3.760 -8.605 36 HG LEU 6 HG LEU 6 0.059 0.919 -8.810 37 HD11 LEU 6 HD11 LEU 6 0.377 0.960 -11.075 38 HD12 LEU 6 HD12 LEU 6 1.981 1.440 -10.523 39 HD13 LEU 6 HD13 LEU 6 0.843 2.661 -11.094 40 HD21 LEU 6 HD21 LEU 6 1.507 3.429 -8.158 41 HD22 LEU 6 HD22 LEU 6 2.463 2.007 -8.579 42 HD23 LEU 6 HD23 LEU 6 1.335 1.943 -7.223 43 H LYS 7 H LYS 7 -1.713 -0.135 -8.415 44 HA LYS 7 HA LYS 7 -2.874 -0.782 -10.927 45 HB2 LYS 7 HB2 LYS 7 -1.878 -2.358 -8.583 46 HB3 LYS 7 HB3 LYS 7 -2.809 -3.169 -9.835 47 HG2 LYS 7 HG2 LYS 7 -0.773 -3.496 -10.732 48 HG3 LYS 7 HG3 LYS 7 -1.035 -1.872 -11.371 49 HD2 LYS 7 HD2 LYS 7 0.178 -0.931 -9.461 50 HD3 LYS 7 HD3 LYS 7 0.443 -2.557 -8.829 51 HE2 LYS 7 HE2 LYS 7 1.314 -1.883 -11.606 52 HE3 LYS 7 HE3 LYS 7 2.297 -1.371 -10.235 53 HZ1 LYS 7 HZ1 LYS 7 2.641 -3.693 -11.390 54 HZ2 LYS 7 HZ2 LYS 7 1.421 -4.160 -10.316 55 HZ3 LYS 7 HZ3 LYS 7 2.860 -3.497 -9.724 56 H VAL 8 H VAL 8 -3.967 -1.314 -7.577 57 HA VAL 8 HA VAL 8 -6.385 -2.538 -8.066 58 HB VAL 8 HB VAL 8 -7.178 -1.568 -5.931 59 HG11 VAL 8 HG11 VAL 8 -4.376 -2.666 -6.016 60 HG12 VAL 8 HG12 VAL 8 -5.296 -2.466 -4.524 61 HG13 VAL 8 HG13 VAL 8 -5.881 -3.554 -5.783 62 HG21 VAL 8 HG21 VAL 8 -4.550 -0.100 -5.847 63 HG22 VAL 8 HG22 VAL 8 -6.074 0.660 -6.302 64 HG23 VAL 8 HG23 VAL 8 -5.874 -0.014 -4.685 65 H LEU 9 H LEU 9 -5.495 0.779 -8.563 66 HA LEU 9 HA LEU 9 -7.944 2.064 -8.538 67 HB2 LEU 9 HB2 LEU 9 -5.737 2.559 -10.527 68 HB3 LEU 9 HB3 LEU 9 -6.971 3.703 -10.005 69 HG LEU 9 HG LEU 9 -4.623 2.672 -8.428 70 HD11 LEU 9 HD11 LEU 9 -3.956 4.458 -9.795 71 HD12 LEU 9 HD12 LEU 9 -4.265 5.181 -8.217 72 HD13 LEU 9 HD13 LEU 9 -5.453 5.347 -9.510 73 HD21 LEU 9 HD21 LEU 9 -6.434 2.680 -6.888 74 HD22 LEU 9 HD22 LEU 9 -7.033 4.222 -7.502 75 HD23 LEU 9 HD23 LEU 9 -5.512 4.158 -6.610 76 H THR 10 H THR 10 -6.525 0.016 -11.014 77 HA THR 10 HA THR 10 -8.748 0.505 -12.831 78 HB THR 10 HB THR 10 -7.522 -1.134 -14.315 79 HG1 THR 10 HG1 THR 10 -5.674 -1.989 -13.636 80 HG21 THR 10 HG21 THR 10 -6.402 0.594 -15.225 81 HG22 THR 10 HG22 THR 10 -5.496 0.911 -13.746 82 HG23 THR 10 HG23 THR 10 -7.133 1.538 -13.929 83 H THR 11 H THR 11 -7.504 -1.993 -10.709 84 HA THR 11 HA THR 11 -9.187 -4.090 -11.613 85 HB THR 11 HB THR 11 -8.040 -3.835 -8.833 86 HG1 THR 11 HG1 THR 11 -6.206 -4.933 -9.758 87 HG21 THR 11 HG21 THR 11 -7.843 -6.393 -9.295 88 HG22 THR 11 HG22 THR 11 -9.064 -6.079 -10.528 89 HG23 THR 11 HG23 THR 11 -9.402 -5.710 -8.837 90 H GLY 12 H GLY 12 -9.704 -1.360 -9.573 91 HA2 GLY 12 HA2 GLY 12 -11.920 -2.417 -8.103 92 HA3 GLY 12 HA3 GLY 12 -11.466 -0.724 -8.229 93 H LEU 13 H LEU 13 -11.557 -1.104 -11.264 94 HA LEU 13 HA LEU 13 -14.149 -0.068 -11.648 95 HB2 LEU 13 HB2 LEU 13 -12.771 0.617 -13.317 96 HB3 LEU 13 HB3 LEU 13 -11.903 -0.915 -13.377 97 HG LEU 13 HG LEU 13 -13.800 -1.907 -14.607 98 HD11 LEU 13 HD11 LEU 13 -15.548 -0.482 -15.501 99 HD12 LEU 13 HD12 LEU 13 -14.876 0.909 -14.650 100 HD13 LEU 13 HD13 LEU 13 -15.560 -0.437 -13.738 101 HD21 LEU 13 HD21 LEU 13 -13.505 -0.101 -16.601 102 HD22 LEU 13 HD22 LEU 13 -12.315 -1.340 -16.198 103 HD23 LEU 13 HD23 LEU 13 -12.123 0.302 -15.581 104 HA PRO 14 HA PRO 14 -15.263 -4.372 -13.543 105 HB2 PRO 14 HB2 PRO 14 -13.505 -6.400 -13.138 106 HB3 PRO 14 HB3 PRO 14 -13.424 -5.325 -14.538 107 HG2 PRO 14 HG2 PRO 14 -11.845 -5.247 -11.996 108 HG3 PRO 14 HG3 PRO 14 -11.291 -5.014 -13.664 109 HD2 PRO 14 HD2 PRO 14 -11.753 -2.944 -11.980 110 HD3 PRO 14 HD3 PRO 14 -12.015 -2.826 -13.732 111 H ALA 15 H ALA 15 -13.573 -4.184 -10.486 112 HA ALA 15 HA ALA 15 -15.077 -6.342 -9.287 113 HB1 ALA 15 HB1 ALA 15 -13.577 -4.444 -7.582 114 HB2 ALA 15 HB2 ALA 15 -13.635 -6.207 -7.543 115 HB3 ALA 15 HB3 ALA 15 -12.645 -5.384 -8.748 116 H LEU 16 H LEU 16 -15.298 -2.885 -9.556 117 HA LEU 16 HA LEU 16 -16.953 -2.328 -7.364 118 HB2 LEU 16 HB2 LEU 16 -15.926 -0.530 -8.522 119 HB3 LEU 16 HB3 LEU 16 -16.657 -1.012 -10.052 120 HG LEU 16 HG LEU 16 -18.690 -0.415 -8.095 121 HD11 LEU 16 HD11 LEU 16 -16.668 1.043 -7.363 122 HD12 LEU 16 HD12 LEU 16 -18.262 1.779 -7.530 123 HD13 LEU 16 HD13 LEU 16 -17.058 1.984 -8.802 124 HD21 LEU 16 HD21 LEU 16 -19.224 1.297 -9.933 125 HD22 LEU 16 HD22 LEU 16 -19.305 -0.417 -10.343 126 HD23 LEU 16 HD23 LEU 16 -17.904 0.541 -10.826 127 H ILE 17 H ILE 17 -17.918 -2.732 -10.778 128 HA ILE 17 HA ILE 17 -20.688 -2.919 -10.159 129 HB ILE 17 HB ILE 17 -21.065 -3.331 -12.447 130 HG12 ILE 17 HG12 ILE 17 -19.400 -5.236 -12.557 131 HG13 ILE 17 HG13 ILE 17 -19.476 -4.216 -13.989 132 HG21 ILE 17 HG21 ILE 17 -19.659 -1.664 -13.590 133 HG22 ILE 17 HG22 ILE 17 -20.228 -1.100 -12.020 134 HG23 ILE 17 HG23 ILE 17 -18.567 -1.660 -12.206 135 HD11 ILE 17 HD11 ILE 17 -17.480 -3.008 -13.173 136 HD12 ILE 17 HD12 ILE 17 -17.380 -4.153 -11.835 137 HD13 ILE 17 HD13 ILE 17 -17.190 -4.717 -13.495 138 H SER 18 H SER 18 -18.098 -5.234 -10.464 139 HA SER 18 HA SER 18 -19.554 -7.580 -10.855 140 HB2 SER 18 HB2 SER 18 -17.202 -7.732 -11.063 141 HB3 SER 18 HB3 SER 18 -16.933 -7.034 -9.466 142 HG SER 18 HG SER 18 -16.755 -9.083 -8.956 143 H TRP 19 H TRP 19 -19.066 -5.653 -7.992 144 HA TRP 19 HA TRP 19 -19.823 -7.559 -6.060 145 HB2 TRP 19 HB2 TRP 19 -18.692 -5.424 -5.523 146 HB3 TRP 19 HB3 TRP 19 -20.159 -4.553 -5.960 147 HD1 TRP 19 HD1 TRP 19 -22.306 -4.893 -4.308 148 HE1 TRP 19 HE1 TRP 19 -22.402 -5.440 -1.795 149 HE3 TRP 19 HE3 TRP 19 -17.555 -6.674 -3.684 150 HZ2 TRP 19 HZ2 TRP 19 -20.689 -6.487 0.189 151 HZ3 TRP 19 HZ3 TRP 19 -16.863 -7.428 -1.447 152 HH2 TRP 19 HH2 TRP 19 -18.399 -7.335 0.449 153 H ILE 20 H ILE 20 -21.719 -5.036 -7.708 154 HA ILE 20 HA ILE 20 -24.185 -5.852 -6.517 155 HB ILE 20 HB ILE 20 -23.916 -3.558 -7.243 156 HG12 ILE 20 HG12 ILE 20 -25.940 -4.919 -9.031 157 HG13 ILE 20 HG13 ILE 20 -26.177 -4.648 -7.307 158 HG21 ILE 20 HG21 ILE 20 -23.610 -4.725 -10.005 159 HG22 ILE 20 HG22 ILE 20 -23.838 -3.010 -9.664 160 HG23 ILE 20 HG23 ILE 20 -22.395 -3.841 -9.081 161 HD11 ILE 20 HD11 ILE 20 -25.565 -2.151 -8.117 162 HD12 ILE 20 HD12 ILE 20 -26.363 -2.780 -9.560 163 HD13 ILE 20 HD13 ILE 20 -27.206 -2.789 -8.011 164 H LYS 21 H LYS 21 -22.473 -6.620 -9.466 165 HA LYS 21 HA LYS 21 -24.593 -7.793 -10.898 166 HB2 LYS 21 HB2 LYS 21 -21.606 -8.134 -10.987 167 HB3 LYS 21 HB3 LYS 21 -22.662 -9.089 -12.019 168 HG2 LYS 21 HG2 LYS 21 -22.449 -6.085 -11.969 169 HG3 LYS 21 HG3 LYS 21 -21.830 -7.167 -13.219 170 HD2 LYS 21 HD2 LYS 21 -24.209 -7.948 -13.549 171 HD3 LYS 21 HD3 LYS 21 -24.704 -6.612 -12.507 172 HE2 LYS 21 HE2 LYS 21 -23.281 -6.452 -15.158 173 HE3 LYS 21 HE3 LYS 21 -24.908 -5.890 -14.775 174 HZ1 LYS 21 HZ1 LYS 21 -22.337 -4.754 -13.836 175 HZ2 LYS 21 HZ2 LYS 21 -23.831 -4.324 -13.170 176 HZ3 LYS 21 HZ3 LYS 21 -23.509 -4.005 -14.799 177 H ARG 22 H ARG 22 -22.069 -9.307 -8.886 178 HA ARG 22 HA ARG 22 -22.948 -11.934 -9.076 179 HB2 ARG 22 HB2 ARG 22 -21.692 -12.359 -7.040 180 HB3 ARG 22 HB3 ARG 22 -20.795 -11.262 -8.082 181 HG2 ARG 22 HG2 ARG 22 -21.149 -9.443 -6.692 182 HG3 ARG 22 HG3 ARG 22 -22.539 -10.192 -5.904 183 HD2 ARG 22 HD2 ARG 22 -21.027 -10.552 -4.259 184 HD3 ARG 22 HD3 ARG 22 -20.654 -11.970 -5.238 185 HE ARG 22 HE ARG 22 -19.045 -9.951 -6.196 186 HH11 ARG 22 HH11 ARG 22 -19.530 -11.575 -3.155 187 HH12 ARG 22 HH12 ARG 22 -17.892 -11.362 -2.632 188 HH21 ARG 22 HH21 ARG 22 -16.886 -9.664 -5.518 189 HH22 ARG 22 HH22 ARG 22 -16.390 -10.274 -3.976 190 H LYS 23 H LYS 23 -24.235 -9.280 -7.260 191 HA LYS 23 HA LYS 23 -25.624 -10.523 -5.229 192 HB2 LYS 23 HB2 LYS 23 -25.452 -8.034 -5.733 193 HB3 LYS 23 HB3 LYS 23 -26.768 -8.268 -6.875 194 HG2 LYS 23 HG2 LYS 23 -28.290 -8.822 -5.176 195 HG3 LYS 23 HG3 LYS 23 -27.003 -9.065 -3.992 196 HD2 LYS 23 HD2 LYS 23 -27.454 -6.394 -5.284 197 HD3 LYS 23 HD3 LYS 23 -28.379 -6.896 -3.867 198 HE2 LYS 23 HE2 LYS 23 -26.183 -7.340 -2.726 199 HE3 LYS 23 HE3 LYS 23 -25.393 -6.568 -4.100 200 HZ1 LYS 23 HZ1 LYS 23 -26.182 -4.520 -3.524 201 HZ2 LYS 23 HZ2 LYS 23 -26.022 -5.203 -1.985 202 HZ3 LYS 23 HZ3 LYS 23 -27.543 -5.126 -2.721 203 H ARG 24 H ARG 24 -26.583 -10.118 -8.615 204 HA ARG 24 HA ARG 24 -28.809 -11.986 -8.130 205 HB2 ARG 24 HB2 ARG 24 -28.695 -10.228 -10.548 206 HB3 ARG 24 HB3 ARG 24 -30.095 -10.901 -9.725 207 HG2 ARG 24 HG2 ARG 24 -29.061 -9.279 -7.800 208 HG3 ARG 24 HG3 ARG 24 -28.672 -8.388 -9.273 209 HD2 ARG 24 HD2 ARG 24 -31.417 -9.502 -8.810 210 HD3 ARG 24 HD3 ARG 24 -30.937 -7.949 -8.126 211 HE ARG 24 HE ARG 24 -31.574 -8.502 -10.857 212 HH11 ARG 24 HH11 ARG 24 -29.675 -6.475 -8.758 213 HH12 ARG 24 HH12 ARG 24 -29.586 -5.165 -9.888 214 HH21 ARG 24 HH21 ARG 24 -31.465 -6.784 -12.353 215 HH22 ARG 24 HH22 ARG 24 -30.606 -5.341 -11.932 216 H GLN 25 H GLN 25 -26.843 -10.922 -10.912 217 HA GLN 25 HA GLN 25 -26.434 -13.761 -11.581 218 HB2 GLN 25 HB2 GLN 25 -27.564 -11.600 -13.183 219 HB3 GLN 25 HB3 GLN 25 -26.223 -12.407 -13.985 220 HG2 GLN 25 HG2 GLN 25 -27.379 -14.580 -13.536 221 HG3 GLN 25 HG3 GLN 25 -28.767 -13.648 -12.976 222 HE21 GLN 25 HE21 GLN 25 -30.083 -12.663 -14.438 223 HE22 GLN 25 HE22 GLN 25 -29.931 -12.860 -16.147 224 H GLN 26 H GLN 26 -24.372 -14.345 -11.620 225 HA GLN 26 HA GLN 26 -22.233 -12.702 -11.050 226 HB2 GLN 26 HB2 GLN 26 -22.585 -15.439 -12.033 227 HB3 GLN 26 HB3 GLN 26 -21.064 -14.707 -12.527 228 HG2 GLN 26 HG2 GLN 26 -20.626 -14.155 -10.146 229 HG3 GLN 26 HG3 GLN 26 -22.080 -15.055 -9.718 230 HE21 GLN 26 HE21 GLN 26 -18.785 -15.236 -10.679 231 HE22 GLN 26 HE22 GLN 26 -18.613 -16.950 -10.553 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.083 -1.502 0.406 2 HA2 GLY 1 HA2 GLY 1 1.892 -0.334 0.242 3 HA3 GLY 1 HA3 GLY 1 2.155 -1.325 -1.186 4 H ILE 2 H ILE 2 3.353 0.868 -1.543 5 HA ILE 2 HA ILE 2 1.754 3.083 -2.381 6 HB ILE 2 HB ILE 2 4.661 2.493 -2.953 7 HG12 ILE 2 HG12 ILE 2 4.134 2.659 -0.545 8 HG13 ILE 2 HG13 ILE 2 5.133 4.001 -1.093 9 HG21 ILE 2 HG21 ILE 2 2.898 4.821 -3.530 10 HG22 ILE 2 HG22 ILE 2 4.585 5.115 -3.113 11 HG23 ILE 2 HG23 ILE 2 4.184 4.109 -4.505 12 HD11 ILE 2 HD11 ILE 2 2.386 4.722 -1.333 13 HD12 ILE 2 HD12 ILE 2 2.694 4.105 0.290 14 HD13 ILE 2 HD13 ILE 2 3.648 5.448 -0.339 15 H GLY 3 H GLY 3 3.490 0.485 -4.059 16 HA2 GLY 3 HA2 GLY 3 2.760 1.449 -6.670 17 HA3 GLY 3 HA3 GLY 3 3.543 -0.081 -6.302 18 H ALA 4 H ALA 4 1.189 -0.414 -4.288 19 HA ALA 4 HA ALA 4 -0.404 -2.017 -6.047 20 HB1 ALA 4 HB1 ALA 4 -0.099 -1.663 -3.178 21 HB2 ALA 4 HB2 ALA 4 -1.779 -1.899 -3.662 22 HB3 ALA 4 HB3 ALA 4 -0.558 -3.094 -4.100 23 H VAL 5 H VAL 5 -0.539 1.220 -4.928 24 HA VAL 5 HA VAL 5 -3.236 1.800 -4.858 25 HB VAL 5 HB VAL 5 -1.461 3.425 -4.307 26 HG11 VAL 5 HG11 VAL 5 -0.122 4.476 -5.887 27 HG12 VAL 5 HG12 VAL 5 -0.153 2.803 -6.449 28 HG13 VAL 5 HG13 VAL 5 -1.170 4.015 -7.228 29 HG21 VAL 5 HG21 VAL 5 -3.922 3.911 -5.570 30 HG22 VAL 5 HG22 VAL 5 -3.026 4.992 -4.504 31 HG23 VAL 5 HG23 VAL 5 -2.782 5.073 -6.248 32 H LEU 6 H LEU 6 -1.100 1.608 -7.677 33 HA LEU 6 HA LEU 6 -3.146 2.347 -9.538 34 HB2 LEU 6 HB2 LEU 6 -1.485 1.549 -11.237 35 HB3 LEU 6 HB3 LEU 6 -0.917 2.824 -10.160 36 HG LEU 6 HG LEU 6 -0.239 0.196 -9.148 37 HD11 LEU 6 HD11 LEU 6 -0.062 -0.648 -11.306 38 HD12 LEU 6 HD12 LEU 6 1.571 -0.086 -10.955 39 HD13 LEU 6 HD13 LEU 6 0.503 0.886 -11.967 40 HD21 LEU 6 HD21 LEU 6 0.981 1.887 -8.211 41 HD22 LEU 6 HD22 LEU 6 1.074 2.806 -9.714 42 HD23 LEU 6 HD23 LEU 6 2.091 1.381 -9.486 43 H LYS 7 H LYS 7 -1.774 -0.681 -8.375 44 HA LYS 7 HA LYS 7 -2.986 -2.409 -10.227 45 HB2 LYS 7 HB2 LYS 7 -1.894 -2.736 -7.458 46 HB3 LYS 7 HB3 LYS 7 -2.781 -4.062 -8.199 47 HG2 LYS 7 HG2 LYS 7 -0.735 -4.651 -8.921 48 HG3 LYS 7 HG3 LYS 7 -1.085 -3.483 -10.197 49 HD2 LYS 7 HD2 LYS 7 0.093 -1.750 -8.949 50 HD3 LYS 7 HD3 LYS 7 0.414 -2.894 -7.643 51 HE2 LYS 7 HE2 LYS 7 2.351 -2.591 -9.135 52 HE3 LYS 7 HE3 LYS 7 1.764 -4.253 -9.118 53 HZ1 LYS 7 HZ1 LYS 7 0.750 -3.964 -11.216 54 HZ2 LYS 7 HZ2 LYS 7 2.311 -3.329 -11.361 55 HZ3 LYS 7 HZ3 LYS 7 0.988 -2.289 -11.197 56 H VAL 8 H VAL 8 -4.038 -1.443 -6.964 57 HA VAL 8 HA VAL 8 -6.490 -2.856 -7.054 58 HB VAL 8 HB VAL 8 -7.125 -1.615 -5.085 59 HG11 VAL 8 HG11 VAL 8 -5.582 -2.532 -3.695 60 HG12 VAL 8 HG12 VAL 8 -5.057 -3.298 -5.196 61 HG13 VAL 8 HG13 VAL 8 -4.216 -1.870 -4.593 62 HG21 VAL 8 HG21 VAL 8 -5.725 0.238 -4.237 63 HG22 VAL 8 HG22 VAL 8 -4.796 0.190 -5.736 64 HG23 VAL 8 HG23 VAL 8 -6.506 0.618 -5.772 65 H LEU 9 H LEU 9 -5.490 0.252 -8.230 66 HA LEU 9 HA LEU 9 -8.037 1.462 -8.439 67 HB2 LEU 9 HB2 LEU 9 -5.324 2.035 -9.247 68 HB3 LEU 9 HB3 LEU 9 -6.470 2.478 -10.510 69 HG LEU 9 HG LEU 9 -7.595 4.003 -9.057 70 HD11 LEU 9 HD11 LEU 9 -6.394 2.389 -6.991 71 HD12 LEU 9 HD12 LEU 9 -7.750 3.512 -6.898 72 HD13 LEU 9 HD13 LEU 9 -6.100 4.105 -6.713 73 HD21 LEU 9 HD21 LEU 9 -5.982 5.645 -8.907 74 HD22 LEU 9 HD22 LEU 9 -5.258 4.537 -10.073 75 HD23 LEU 9 HD23 LEU 9 -4.728 4.517 -8.390 76 H THR 10 H THR 10 -6.198 -0.655 -10.555 77 HA THR 10 HA THR 10 -8.225 -0.461 -12.645 78 HB THR 10 HB THR 10 -5.887 -0.465 -13.358 79 HG1 THR 10 HG1 THR 10 -6.095 -2.241 -14.857 80 HG21 THR 10 HG21 THR 10 -5.766 -3.237 -12.162 81 HG22 THR 10 HG22 THR 10 -4.957 -1.806 -11.523 82 HG23 THR 10 HG23 THR 10 -4.492 -2.454 -13.095 83 H THR 11 H THR 11 -7.007 -2.714 -10.247 84 HA THR 11 HA THR 11 -8.493 -4.963 -11.199 85 HB THR 11 HB THR 11 -7.293 -4.517 -8.458 86 HG1 THR 11 HG1 THR 11 -6.240 -5.570 -10.876 87 HG21 THR 11 HG21 THR 11 -8.122 -7.055 -9.872 88 HG22 THR 11 HG22 THR 11 -8.952 -6.315 -8.504 89 HG23 THR 11 HG23 THR 11 -7.325 -6.963 -8.302 90 H GLY 12 H GLY 12 -9.110 -2.330 -8.992 91 HA2 GLY 12 HA2 GLY 12 -11.400 -3.535 -7.749 92 HA3 GLY 12 HA3 GLY 12 -10.915 -1.850 -7.632 93 H LEU 13 H LEU 13 -10.879 -2.033 -10.755 94 HA LEU 13 HA LEU 13 -13.366 -0.765 -11.145 95 HB2 LEU 13 HB2 LEU 13 -11.890 -0.109 -12.740 96 HB3 LEU 13 HB3 LEU 13 -11.146 -1.702 -12.860 97 HG LEU 13 HG LEU 13 -13.080 -2.472 -14.190 98 HD11 LEU 13 HD11 LEU 13 -14.483 -0.541 -15.162 99 HD12 LEU 13 HD12 LEU 13 -13.978 0.346 -13.724 100 HD13 LEU 13 HD13 LEU 13 -14.885 -1.158 -13.559 101 HD21 LEU 13 HD21 LEU 13 -10.959 -0.868 -14.979 102 HD22 LEU 13 HD22 LEU 13 -12.362 -0.164 -15.783 103 HD23 LEU 13 HD23 LEU 13 -11.971 -1.867 -16.022 104 HA PRO 14 HA PRO 14 -14.765 -4.862 -13.296 105 HB2 PRO 14 HB2 PRO 14 -13.193 -7.047 -12.947 106 HB3 PRO 14 HB3 PRO 14 -12.979 -5.913 -14.287 107 HG2 PRO 14 HG2 PRO 14 -11.482 -6.093 -11.700 108 HG3 PRO 14 HG3 PRO 14 -10.858 -5.824 -13.338 109 HD2 PRO 14 HD2 PRO 14 -11.204 -3.809 -11.562 110 HD3 PRO 14 HD3 PRO 14 -11.398 -3.584 -13.312 111 H ALA 15 H ALA 15 -13.165 -4.967 -10.187 112 HA ALA 15 HA ALA 15 -14.881 -7.047 -9.145 113 HB1 ALA 15 HB1 ALA 15 -13.169 -5.307 -7.422 114 HB2 ALA 15 HB2 ALA 15 -13.571 -7.015 -7.244 115 HB3 ALA 15 HB3 ALA 15 -12.426 -6.504 -8.484 116 H LEU 16 H LEU 16 -14.801 -3.575 -9.234 117 HA LEU 16 HA LEU 16 -16.473 -2.990 -7.063 118 HB2 LEU 16 HB2 LEU 16 -15.264 -1.229 -8.093 119 HB3 LEU 16 HB3 LEU 16 -15.979 -1.570 -9.667 120 HG LEU 16 HG LEU 16 -18.013 -0.897 -7.730 121 HD11 LEU 16 HD11 LEU 16 -15.618 0.861 -7.916 122 HD12 LEU 16 HD12 LEU 16 -16.662 0.516 -6.538 123 HD13 LEU 16 HD13 LEU 16 -17.216 1.599 -7.815 124 HD21 LEU 16 HD21 LEU 16 -18.573 -0.759 -9.988 125 HD22 LEU 16 HD22 LEU 16 -17.088 0.096 -10.404 126 HD23 LEU 16 HD23 LEU 16 -18.362 0.924 -9.507 127 H ILE 17 H ILE 17 -17.359 -3.137 -10.518 128 HA ILE 17 HA ILE 17 -20.153 -3.115 -9.989 129 HB ILE 17 HB ILE 17 -20.489 -3.380 -12.304 130 HG12 ILE 17 HG12 ILE 17 -18.992 -5.416 -12.465 131 HG13 ILE 17 HG13 ILE 17 -18.932 -4.325 -13.845 132 HG21 ILE 17 HG21 ILE 17 -19.476 -1.254 -11.739 133 HG22 ILE 17 HG22 ILE 17 -17.865 -1.949 -11.908 134 HG23 ILE 17 HG23 ILE 17 -18.908 -1.789 -13.320 135 HD11 ILE 17 HD11 ILE 17 -16.911 -4.549 -11.630 136 HD12 ILE 17 HD12 ILE 17 -16.715 -5.047 -13.311 137 HD13 ILE 17 HD13 ILE 17 -16.868 -3.337 -12.910 138 H SER 18 H SER 18 -17.760 -5.627 -10.331 139 HA SER 18 HA SER 18 -19.411 -7.814 -10.876 140 HB2 SER 18 HB2 SER 18 -17.072 -8.152 -11.062 141 HB3 SER 18 HB3 SER 18 -16.779 -7.580 -9.420 142 HG SER 18 HG SER 18 -16.847 -9.631 -8.956 143 H TRP 19 H TRP 19 -18.766 -6.110 -7.898 144 HA TRP 19 HA TRP 19 -19.699 -8.010 -6.064 145 HB2 TRP 19 HB2 TRP 19 -18.468 -5.990 -5.397 146 HB3 TRP 19 HB3 TRP 19 -19.835 -4.992 -5.886 147 HD1 TRP 19 HD1 TRP 19 -22.094 -5.203 -4.359 148 HE1 TRP 19 HE1 TRP 19 -22.361 -5.783 -1.865 149 HE3 TRP 19 HE3 TRP 19 -17.525 -7.341 -3.527 150 HZ2 TRP 19 HZ2 TRP 19 -20.837 -6.987 0.183 151 HZ3 TRP 19 HZ3 TRP 19 -17.008 -8.181 -1.273 152 HH2 TRP 19 HH2 TRP 19 -18.632 -8.006 0.543 153 H ILE 20 H ILE 20 -21.430 -5.321 -7.630 154 HA ILE 20 HA ILE 20 -23.958 -6.075 -6.522 155 HB ILE 20 HB ILE 20 -23.568 -3.758 -7.095 156 HG12 ILE 20 HG12 ILE 20 -25.559 -4.584 -9.164 157 HG13 ILE 20 HG13 ILE 20 -25.862 -5.022 -7.486 158 HG21 ILE 20 HG21 ILE 20 -23.390 -3.056 -9.465 159 HG22 ILE 20 HG22 ILE 20 -22.013 -4.008 -8.913 160 HG23 ILE 20 HG23 ILE 20 -23.252 -4.754 -9.922 161 HD11 ILE 20 HD11 ILE 20 -26.988 -2.982 -7.920 162 HD12 ILE 20 HD12 ILE 20 -25.596 -2.607 -6.904 163 HD13 ILE 20 HD13 ILE 20 -25.544 -2.264 -8.632 164 H LYS 21 H LYS 21 -22.231 -6.744 -9.487 165 HA LYS 21 HA LYS 21 -24.316 -7.664 -11.089 166 HB2 LYS 21 HB2 LYS 21 -21.397 -7.949 -11.020 167 HB3 LYS 21 HB3 LYS 21 -22.223 -9.305 -11.775 168 HG2 LYS 21 HG2 LYS 21 -21.483 -7.405 -13.286 169 HG3 LYS 21 HG3 LYS 21 -23.151 -7.958 -13.448 170 HD2 LYS 21 HD2 LYS 21 -24.007 -6.014 -12.673 171 HD3 LYS 21 HD3 LYS 21 -22.706 -5.788 -11.502 172 HE2 LYS 21 HE2 LYS 21 -21.228 -4.988 -13.222 173 HE3 LYS 21 HE3 LYS 21 -22.409 -5.371 -14.473 174 HZ1 LYS 21 HZ1 LYS 21 -23.892 -3.757 -13.100 175 HZ2 LYS 21 HZ2 LYS 21 -22.751 -3.140 -14.186 176 HZ3 LYS 21 HZ3 LYS 21 -22.411 -3.170 -12.529 177 H ARG 22 H ARG 22 -22.145 -9.589 -9.011 178 HA ARG 22 HA ARG 22 -23.373 -12.053 -9.369 179 HB2 ARG 22 HB2 ARG 22 -22.336 -12.701 -7.231 180 HB3 ARG 22 HB3 ARG 22 -21.217 -11.824 -8.266 181 HG2 ARG 22 HG2 ARG 22 -21.315 -9.901 -6.941 182 HG3 ARG 22 HG3 ARG 22 -22.783 -10.436 -6.121 183 HD2 ARG 22 HD2 ARG 22 -21.454 -11.170 -4.490 184 HD3 ARG 22 HD3 ARG 22 -20.969 -12.453 -5.598 185 HE ARG 22 HE ARG 22 -19.395 -10.203 -6.121 186 HH11 ARG 22 HH11 ARG 22 -19.910 -12.544 -3.596 187 HH12 ARG 22 HH12 ARG 22 -18.289 -12.443 -2.993 188 HH21 ARG 22 HH21 ARG 22 -17.259 -10.061 -5.336 189 HH22 ARG 22 HH22 ARG 22 -16.782 -11.030 -3.983 190 H LYS 23 H LYS 23 -24.340 -9.333 -7.437 191 HA LYS 23 HA LYS 23 -26.056 -10.563 -5.614 192 HB2 LYS 23 HB2 LYS 23 -25.301 -8.083 -5.827 193 HB3 LYS 23 HB3 LYS 23 -26.713 -7.912 -6.862 194 HG2 LYS 23 HG2 LYS 23 -28.194 -8.312 -5.127 195 HG3 LYS 23 HG3 LYS 23 -26.973 -9.113 -4.136 196 HD2 LYS 23 HD2 LYS 23 -26.769 -6.204 -4.859 197 HD3 LYS 23 HD3 LYS 23 -27.692 -6.751 -3.457 198 HE2 LYS 23 HE2 LYS 23 -24.825 -7.536 -3.901 199 HE3 LYS 23 HE3 LYS 23 -25.274 -6.053 -3.060 200 HZ1 LYS 23 HZ1 LYS 23 -26.422 -8.624 -2.206 201 HZ2 LYS 23 HZ2 LYS 23 -26.171 -7.215 -1.306 202 HZ3 LYS 23 HZ3 LYS 23 -24.859 -8.201 -1.716 203 H ARG 24 H ARG 24 -26.875 -9.105 -8.766 204 HA ARG 24 HA ARG 24 -29.424 -10.548 -8.719 205 HB2 ARG 24 HB2 ARG 24 -28.625 -8.556 -10.819 206 HB3 ARG 24 HB3 ARG 24 -30.238 -9.005 -10.280 207 HG2 ARG 24 HG2 ARG 24 -29.044 -7.972 -8.010 208 HG3 ARG 24 HG3 ARG 24 -28.471 -6.930 -9.314 209 HD2 ARG 24 HD2 ARG 24 -30.454 -5.914 -8.651 210 HD3 ARG 24 HD3 ARG 24 -30.937 -6.868 -10.053 211 HE ARG 24 HE ARG 24 -31.303 -8.427 -7.762 212 HH11 ARG 24 HH11 ARG 24 -32.600 -5.559 -9.249 213 HH12 ARG 24 HH12 ARG 24 -34.178 -5.759 -8.564 214 HH21 ARG 24 HH21 ARG 24 -33.378 -8.702 -6.854 215 HH22 ARG 24 HH22 ARG 24 -34.619 -7.547 -7.201 216 H GLN 25 H GLN 25 -27.104 -9.682 -11.286 217 HA GLN 25 HA GLN 25 -27.781 -12.049 -12.777 218 HB2 GLN 25 HB2 GLN 25 -26.534 -9.539 -13.318 219 HB3 GLN 25 HB3 GLN 25 -25.439 -10.819 -13.823 220 HG2 GLN 25 HG2 GLN 25 -26.647 -10.543 -15.730 221 HG3 GLN 25 HG3 GLN 25 -27.603 -11.794 -14.938 222 HE21 GLN 25 HE21 GLN 25 -29.586 -11.245 -14.007 223 HE22 GLN 25 HE22 GLN 25 -30.416 -9.789 -14.426 224 H GLN 26 H GLN 26 -25.558 -13.022 -13.858 225 HA GLN 26 HA GLN 26 -24.356 -14.456 -11.656 226 HB2 GLN 26 HB2 GLN 26 -23.249 -15.770 -13.460 227 HB3 GLN 26 HB3 GLN 26 -25.003 -15.742 -13.582 228 HG2 GLN 26 HG2 GLN 26 -24.972 -14.300 -15.417 229 HG3 GLN 26 HG3 GLN 26 -23.300 -13.822 -15.124 230 HE21 GLN 26 HE21 GLN 26 -23.098 -14.338 -17.424 231 HE22 GLN 26 HE22 GLN 26 -22.778 -15.973 -17.881 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.355 -3.242 0.284 2 HA2 GLY 1 HA2 GLY 1 1.952 -3.694 -1.504 3 HA3 GLY 1 HA3 GLY 1 0.587 -3.812 -2.604 4 H ILE 2 H ILE 2 3.053 -1.857 -1.582 5 HA ILE 2 HA ILE 2 1.842 0.703 -1.662 6 HB ILE 2 HB ILE 2 4.716 -0.006 -2.260 7 HG12 ILE 2 HG12 ILE 2 4.041 -0.856 -0.071 8 HG13 ILE 2 HG13 ILE 2 5.123 0.519 0.115 9 HG21 ILE 2 HG21 ILE 2 3.257 2.549 -1.836 10 HG22 ILE 2 HG22 ILE 2 4.901 2.409 -1.216 11 HG23 ILE 2 HG23 ILE 2 4.585 2.173 -2.935 12 HD11 ILE 2 HD11 ILE 2 3.222 1.961 0.585 13 HD12 ILE 2 HD12 ILE 2 2.127 0.593 0.377 14 HD13 ILE 2 HD13 ILE 2 3.288 0.601 1.705 15 H GLY 3 H GLY 3 3.600 -1.194 -4.105 16 HA2 GLY 3 HA2 GLY 3 3.201 0.786 -6.153 17 HA3 GLY 3 HA3 GLY 3 3.872 -0.824 -6.373 18 H ALA 4 H ALA 4 1.314 -1.761 -4.883 19 HA ALA 4 HA ALA 4 -0.162 -2.329 -7.279 20 HB1 ALA 4 HB1 ALA 4 -0.876 -4.079 -6.115 21 HB2 ALA 4 HB2 ALA 4 0.112 -3.520 -4.765 22 HB3 ALA 4 HB3 ALA 4 -1.580 -3.036 -4.880 23 H VAL 5 H VAL 5 -0.264 0.098 -4.872 24 HA VAL 5 HA VAL 5 -2.930 0.772 -4.679 25 HB VAL 5 HB VAL 5 -1.086 1.882 -3.433 26 HG11 VAL 5 HG11 VAL 5 0.260 2.215 -5.607 27 HG12 VAL 5 HG12 VAL 5 -0.707 3.679 -5.801 28 HG13 VAL 5 HG13 VAL 5 0.317 3.479 -4.378 29 HG21 VAL 5 HG21 VAL 5 -3.404 3.170 -4.634 30 HG22 VAL 5 HG22 VAL 5 -2.835 3.193 -2.965 31 HG23 VAL 5 HG23 VAL 5 -2.158 4.318 -4.143 32 H LEU 6 H LEU 6 -0.647 1.532 -7.261 33 HA LEU 6 HA LEU 6 -2.500 3.186 -8.699 34 HB2 LEU 6 HB2 LEU 6 -0.787 2.976 -10.532 35 HB3 LEU 6 HB3 LEU 6 -0.223 3.682 -9.019 36 HG LEU 6 HG LEU 6 0.241 0.833 -9.061 37 HD11 LEU 6 HD11 LEU 6 2.045 0.955 -10.808 38 HD12 LEU 6 HD12 LEU 6 1.300 2.454 -11.364 39 HD13 LEU 6 HD13 LEU 6 0.392 0.943 -11.423 40 HD21 LEU 6 HD21 LEU 6 1.728 3.357 -8.575 41 HD22 LEU 6 HD22 LEU 6 2.662 1.900 -8.914 42 HD23 LEU 6 HD23 LEU 6 1.544 1.933 -7.550 43 H LYS 7 H LYS 7 -1.609 -0.187 -8.686 44 HA LYS 7 HA LYS 7 -2.807 -0.857 -11.183 45 HB2 LYS 7 HB2 LYS 7 -1.838 -2.427 -8.817 46 HB3 LYS 7 HB3 LYS 7 -2.758 -3.224 -10.086 47 HG2 LYS 7 HG2 LYS 7 -0.657 -3.587 -10.863 48 HG3 LYS 7 HG3 LYS 7 -0.979 -2.032 -11.633 49 HD2 LYS 7 HD2 LYS 7 0.795 -1.174 -10.604 50 HD3 LYS 7 HD3 LYS 7 0.034 -1.499 -9.045 51 HE2 LYS 7 HE2 LYS 7 2.104 -2.600 -8.950 52 HE3 LYS 7 HE3 LYS 7 0.929 -3.871 -9.287 53 HZ1 LYS 7 HZ1 LYS 7 1.523 -3.517 -11.703 54 HZ2 LYS 7 HZ2 LYS 7 2.706 -4.250 -10.741 55 HZ3 LYS 7 HZ3 LYS 7 2.848 -2.617 -11.158 56 H VAL 8 H VAL 8 -3.853 -1.289 -7.805 57 HA VAL 8 HA VAL 8 -6.301 -2.478 -8.224 58 HB VAL 8 HB VAL 8 -7.041 -1.427 -6.102 59 HG11 VAL 8 HG11 VAL 8 -5.212 -2.375 -4.695 60 HG12 VAL 8 HG12 VAL 8 -5.776 -3.457 -5.970 61 HG13 VAL 8 HG13 VAL 8 -4.257 -2.581 -6.163 62 HG21 VAL 8 HG21 VAL 8 -5.898 0.756 -6.525 63 HG22 VAL 8 HG22 VAL 8 -5.643 0.101 -4.907 64 HG23 VAL 8 HG23 VAL 8 -4.371 -0.030 -6.123 65 H LEU 9 H LEU 9 -5.365 0.825 -8.778 66 HA LEU 9 HA LEU 9 -7.772 2.163 -8.753 67 HB2 LEU 9 HB2 LEU 9 -5.622 2.534 -10.829 68 HB3 LEU 9 HB3 LEU 9 -6.804 3.728 -10.297 69 HG LEU 9 HG LEU 9 -4.425 2.676 -8.781 70 HD11 LEU 9 HD11 LEU 9 -3.811 5.049 -8.718 71 HD12 LEU 9 HD12 LEU 9 -5.238 5.437 -9.678 72 HD13 LEU 9 HD13 LEU 9 -3.952 4.448 -10.370 73 HD21 LEU 9 HD21 LEU 9 -6.752 4.318 -7.801 74 HD22 LEU 9 HD22 LEU 9 -5.202 4.220 -6.965 75 HD23 LEU 9 HD23 LEU 9 -6.184 2.769 -7.178 76 H THR 10 H THR 10 -6.484 -0.001 -11.203 77 HA THR 10 HA THR 10 -8.755 0.486 -12.963 78 HB THR 10 HB THR 10 -6.546 -1.525 -13.387 79 HG1 THR 10 HG1 THR 10 -6.632 1.213 -14.184 80 HG21 THR 10 HG21 THR 10 -8.138 -1.983 -14.987 81 HG22 THR 10 HG22 THR 10 -7.173 -0.768 -15.827 82 HG23 THR 10 HG23 THR 10 -8.696 -0.312 -15.063 83 H THR 11 H THR 11 -7.491 -1.980 -10.812 84 HA THR 11 HA THR 11 -9.237 -4.069 -11.592 85 HB THR 11 HB THR 11 -8.039 -3.741 -8.842 86 HG1 THR 11 HG1 THR 11 -6.155 -3.922 -9.770 87 HG21 THR 11 HG21 THR 11 -9.551 -5.577 -8.937 88 HG22 THR 11 HG22 THR 11 -7.926 -6.255 -9.041 89 HG23 THR 11 HG23 THR 11 -8.914 -6.105 -10.494 90 H GLY 12 H GLY 12 -9.673 -1.249 -9.666 91 HA2 GLY 12 HA2 GLY 12 -11.861 -2.204 -8.092 92 HA3 GLY 12 HA3 GLY 12 -11.397 -0.525 -8.318 93 H LEU 13 H LEU 13 -11.568 -1.042 -11.322 94 HA LEU 13 HA LEU 13 -14.168 -0.019 -11.689 95 HB2 LEU 13 HB2 LEU 13 -12.831 0.592 -13.419 96 HB3 LEU 13 HB3 LEU 13 -11.963 -0.942 -13.432 97 HG LEU 13 HG LEU 13 -13.885 -1.986 -14.574 98 HD11 LEU 13 HD11 LEU 13 -15.052 0.677 -14.079 99 HD12 LEU 13 HD12 LEU 13 -15.827 -0.903 -14.188 100 HD13 LEU 13 HD13 LEU 13 -15.378 -0.039 -15.658 101 HD21 LEU 13 HD21 LEU 13 -12.329 -1.438 -16.143 102 HD22 LEU 13 HD22 LEU 13 -12.341 0.275 -15.721 103 HD23 LEU 13 HD23 LEU 13 -13.650 -0.405 -16.689 104 HA PRO 14 HA PRO 14 -15.327 -4.399 -13.370 105 HB2 PRO 14 HB2 PRO 14 -13.560 -6.410 -12.921 106 HB3 PRO 14 HB3 PRO 14 -13.513 -5.396 -14.367 107 HG2 PRO 14 HG2 PRO 14 -11.873 -5.210 -11.870 108 HG3 PRO 14 HG3 PRO 14 -11.360 -5.050 -13.559 109 HD2 PRO 14 HD2 PRO 14 -11.781 -2.910 -11.955 110 HD3 PRO 14 HD3 PRO 14 -12.085 -2.867 -13.703 111 H ALA 15 H ALA 15 -13.563 -4.083 -10.365 112 HA ALA 15 HA ALA 15 -15.038 -6.185 -9.039 113 HB1 ALA 15 HB1 ALA 15 -13.463 -4.192 -7.499 114 HB2 ALA 15 HB2 ALA 15 -13.585 -5.941 -7.298 115 HB3 ALA 15 HB3 ALA 15 -12.597 -5.269 -8.595 116 H LEU 16 H LEU 16 -15.266 -2.744 -9.451 117 HA LEU 16 HA LEU 16 -16.869 -2.093 -7.245 118 HB2 LEU 16 HB2 LEU 16 -15.872 -0.344 -8.497 119 HB3 LEU 16 HB3 LEU 16 -16.630 -0.891 -9.991 120 HG LEU 16 HG LEU 16 -18.616 -0.204 -8.007 121 HD11 LEU 16 HD11 LEU 16 -18.049 2.328 -8.376 122 HD12 LEU 16 HD12 LEU 16 -16.399 1.721 -8.507 123 HD13 LEU 16 HD13 LEU 16 -17.332 1.428 -7.039 124 HD21 LEU 16 HD21 LEU 16 -17.924 0.575 -10.817 125 HD22 LEU 16 HD22 LEU 16 -19.205 1.404 -9.931 126 HD23 LEU 16 HD23 LEU 16 -19.315 -0.332 -10.222 127 H ILE 17 H ILE 17 -17.913 -2.638 -10.616 128 HA ILE 17 HA ILE 17 -20.667 -2.797 -9.925 129 HB ILE 17 HB ILE 17 -21.099 -3.298 -12.184 130 HG12 ILE 17 HG12 ILE 17 -19.442 -5.210 -12.258 131 HG13 ILE 17 HG13 ILE 17 -19.548 -4.248 -13.728 132 HG21 ILE 17 HG21 ILE 17 -18.592 -1.627 -12.072 133 HG22 ILE 17 HG22 ILE 17 -19.718 -1.682 -13.427 134 HG23 ILE 17 HG23 ILE 17 -20.246 -1.053 -11.867 135 HD11 ILE 17 HD11 ILE 17 -17.530 -3.015 -13.008 136 HD12 ILE 17 HD12 ILE 17 -17.403 -4.105 -11.627 137 HD13 ILE 17 HD13 ILE 17 -17.253 -4.738 -13.266 138 H SER 18 H SER 18 -18.084 -5.122 -10.188 139 HA SER 18 HA SER 18 -19.529 -7.485 -10.466 140 HB2 SER 18 HB2 SER 18 -17.183 -7.651 -10.672 141 HB3 SER 18 HB3 SER 18 -16.905 -6.862 -9.120 142 HG SER 18 HG SER 18 -16.611 -9.141 -9.025 143 H TRP 19 H TRP 19 -18.994 -5.467 -7.664 144 HA TRP 19 HA TRP 19 -19.768 -7.295 -5.669 145 HB2 TRP 19 HB2 TRP 19 -18.707 -4.875 -5.539 146 HB3 TRP 19 HB3 TRP 19 -20.392 -4.387 -5.376 147 HD1 TRP 19 HD1 TRP 19 -17.522 -5.710 -3.402 148 HE1 TRP 19 HE1 TRP 19 -18.269 -6.226 -0.994 149 HE3 TRP 19 HE3 TRP 19 -22.583 -5.352 -4.027 150 HZ2 TRP 19 HZ2 TRP 19 -20.684 -6.451 0.450 151 HZ3 TRP 19 HZ3 TRP 19 -24.042 -5.733 -2.082 152 HH2 TRP 19 HH2 TRP 19 -23.110 -6.271 0.109 153 H ILE 20 H ILE 20 -21.651 -4.799 -7.375 154 HA ILE 20 HA ILE 20 -24.118 -5.574 -6.153 155 HB ILE 20 HB ILE 20 -23.818 -3.290 -6.924 156 HG12 ILE 20 HG12 ILE 20 -25.875 -4.392 -8.800 157 HG13 ILE 20 HG13 ILE 20 -26.082 -4.624 -7.067 158 HG21 ILE 20 HG21 ILE 20 -23.770 -2.783 -9.346 159 HG22 ILE 20 HG22 ILE 20 -22.341 -3.654 -8.792 160 HG23 ILE 20 HG23 ILE 20 -23.607 -4.508 -9.673 161 HD11 ILE 20 HD11 ILE 20 -26.676 -2.343 -8.649 162 HD12 ILE 20 HD12 ILE 20 -26.957 -2.604 -6.927 163 HD13 ILE 20 HD13 ILE 20 -25.432 -1.910 -7.477 164 H LYS 21 H LYS 21 -22.425 -6.405 -9.094 165 HA LYS 21 HA LYS 21 -24.614 -7.639 -10.420 166 HB2 LYS 21 HB2 LYS 21 -21.626 -7.835 -10.746 167 HB3 LYS 21 HB3 LYS 21 -22.733 -8.780 -11.734 168 HG2 LYS 21 HG2 LYS 21 -22.624 -5.775 -11.568 169 HG3 LYS 21 HG3 LYS 21 -22.037 -6.775 -12.899 170 HD2 LYS 21 HD2 LYS 21 -24.453 -7.673 -12.996 171 HD3 LYS 21 HD3 LYS 21 -24.861 -6.252 -12.032 172 HE2 LYS 21 HE2 LYS 21 -23.610 -6.320 -14.772 173 HE3 LYS 21 HE3 LYS 21 -25.205 -5.709 -14.335 174 HZ1 LYS 21 HZ1 LYS 21 -23.832 -3.838 -14.574 175 HZ2 LYS 21 HZ2 LYS 21 -22.566 -4.531 -13.692 176 HZ3 LYS 21 HZ3 LYS 21 -23.985 -4.055 -12.903 177 H ARG 22 H ARG 22 -21.933 -8.921 -8.469 178 HA ARG 22 HA ARG 22 -22.576 -11.629 -8.669 179 HB2 ARG 22 HB2 ARG 22 -21.187 -11.962 -6.731 180 HB3 ARG 22 HB3 ARG 22 -20.459 -10.712 -7.730 181 HG2 ARG 22 HG2 ARG 22 -20.556 -9.224 -6.086 182 HG3 ARG 22 HG3 ARG 22 -22.252 -9.588 -5.760 183 HD2 ARG 22 HD2 ARG 22 -20.183 -11.540 -4.885 184 HD3 ARG 22 HD3 ARG 22 -20.368 -10.046 -3.968 185 HE ARG 22 HE ARG 22 -22.903 -11.148 -4.313 186 HH11 ARG 22 HH11 ARG 22 -19.909 -11.909 -2.709 187 HH12 ARG 22 HH12 ARG 22 -20.667 -12.817 -1.442 188 HH21 ARG 22 HH21 ARG 22 -23.913 -12.340 -2.651 189 HH22 ARG 22 HH22 ARG 22 -22.944 -13.062 -1.411 190 H LYS 23 H LYS 23 -24.140 -9.097 -6.969 191 HA LYS 23 HA LYS 23 -25.299 -10.317 -4.798 192 HB2 LYS 23 HB2 LYS 23 -25.585 -7.939 -5.338 193 HB3 LYS 23 HB3 LYS 23 -26.609 -8.366 -6.702 194 HG2 LYS 23 HG2 LYS 23 -28.405 -8.786 -5.401 195 HG3 LYS 23 HG3 LYS 23 -27.432 -9.420 -4.071 196 HD2 LYS 23 HD2 LYS 23 -27.313 -6.509 -4.736 197 HD3 LYS 23 HD3 LYS 23 -28.680 -7.139 -3.815 198 HE2 LYS 23 HE2 LYS 23 -25.876 -7.795 -3.001 199 HE3 LYS 23 HE3 LYS 23 -26.588 -6.243 -2.561 200 HZ1 LYS 23 HZ1 LYS 23 -28.328 -8.447 -2.007 201 HZ2 LYS 23 HZ2 LYS 23 -27.819 -7.195 -0.991 202 HZ3 LYS 23 HZ3 LYS 23 -26.856 -8.574 -1.181 203 H ARG 24 H ARG 24 -26.713 -10.156 -8.071 204 HA ARG 24 HA ARG 24 -28.363 -12.492 -7.373 205 HB2 ARG 24 HB2 ARG 24 -29.727 -11.729 -9.403 206 HB3 ARG 24 HB3 ARG 24 -29.826 -10.748 -7.947 207 HG2 ARG 24 HG2 ARG 24 -29.008 -8.957 -8.979 208 HG3 ARG 24 HG3 ARG 24 -27.699 -9.881 -9.720 209 HD2 ARG 24 HD2 ARG 24 -30.341 -10.436 -10.848 210 HD3 ARG 24 HD3 ARG 24 -29.810 -8.768 -11.057 211 HE ARG 24 HE ARG 24 -27.762 -10.612 -11.762 212 HH11 ARG 24 HH11 ARG 24 -30.722 -9.171 -12.893 213 HH12 ARG 24 HH12 ARG 24 -30.325 -9.356 -14.569 214 HH21 ARG 24 HH21 ARG 24 -27.228 -10.862 -13.966 215 HH22 ARG 24 HH22 ARG 24 -28.337 -10.318 -15.178 216 H GLN 25 H GLN 25 -26.203 -11.123 -9.788 217 HA GLN 25 HA GLN 25 -25.164 -13.591 -10.587 218 HB2 GLN 25 HB2 GLN 25 -27.659 -12.902 -11.851 219 HB3 GLN 25 HB3 GLN 25 -26.371 -12.942 -13.048 220 HG2 GLN 25 HG2 GLN 25 -25.845 -15.216 -11.707 221 HG3 GLN 25 HG3 GLN 25 -27.593 -15.125 -11.505 222 HE21 GLN 25 HE21 GLN 25 -28.691 -16.148 -13.001 223 HE22 GLN 25 HE22 GLN 25 -28.210 -16.388 -14.643 224 H GLN 26 H GLN 26 -23.257 -13.236 -11.550 225 HA GLN 26 HA GLN 26 -22.183 -10.699 -11.840 226 HB2 GLN 26 HB2 GLN 26 -20.771 -12.652 -11.632 227 HB3 GLN 26 HB3 GLN 26 -21.359 -13.287 -13.162 228 HG2 GLN 26 HG2 GLN 26 -19.207 -12.383 -13.551 229 HG3 GLN 26 HG3 GLN 26 -20.376 -11.283 -14.280 230 HE21 GLN 26 HE21 GLN 26 -20.161 -9.211 -13.835 231 HE22 GLN 26 HE22 GLN 26 -19.275 -8.542 -12.512 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -0.707 -3.791 -0.460 2 HA2 GLY 1 HA2 GLY 1 1.341 -2.721 -0.202 3 HA3 GLY 1 HA3 GLY 1 1.532 -3.311 -1.846 4 H ILE 2 H ILE 2 2.929 -1.123 -1.149 5 HA ILE 2 HA ILE 2 1.652 1.354 -1.512 6 HB ILE 2 HB ILE 2 4.516 0.674 -2.185 7 HG12 ILE 2 HG12 ILE 2 3.976 0.012 0.108 8 HG13 ILE 2 HG13 ILE 2 5.029 1.423 0.105 9 HG21 ILE 2 HG21 ILE 2 2.996 3.217 -1.886 10 HG22 ILE 2 HG22 ILE 2 4.690 3.172 -1.400 11 HG23 ILE 2 HG23 ILE 2 4.237 2.776 -3.058 12 HD11 ILE 2 HD11 ILE 2 3.169 2.864 0.599 13 HD12 ILE 2 HD12 ILE 2 2.045 1.510 0.473 14 HD13 ILE 2 HD13 ILE 2 3.231 1.553 1.777 15 H GLY 3 H GLY 3 3.789 -0.315 -3.841 16 HA2 GLY 3 HA2 GLY 3 3.076 1.277 -6.040 17 HA3 GLY 3 HA3 GLY 3 3.808 -0.317 -6.135 18 H ALA 4 H ALA 4 1.326 -1.202 -4.483 19 HA ALA 4 HA ALA 4 -0.178 -2.076 -6.763 20 HB1 ALA 4 HB1 ALA 4 -0.516 -3.744 -5.332 21 HB2 ALA 4 HB2 ALA 4 0.013 -2.765 -3.963 22 HB3 ALA 4 HB3 ALA 4 -1.665 -2.695 -4.499 23 H VAL 5 H VAL 5 -0.336 0.594 -4.620 24 HA VAL 5 HA VAL 5 -3.028 1.194 -4.490 25 HB VAL 5 HB VAL 5 -1.204 2.468 -3.356 26 HG11 VAL 5 HG11 VAL 5 0.118 4.034 -4.451 27 HG12 VAL 5 HG12 VAL 5 0.094 2.678 -5.579 28 HG13 VAL 5 HG13 VAL 5 -0.934 4.082 -5.864 29 HG21 VAL 5 HG21 VAL 5 -3.688 3.315 -4.179 30 HG22 VAL 5 HG22 VAL 5 -2.666 4.120 -2.988 31 HG23 VAL 5 HG23 VAL 5 -2.633 4.639 -4.673 32 H LEU 6 H LEU 6 -0.744 1.823 -7.113 33 HA LEU 6 HA LEU 6 -2.663 3.245 -8.707 34 HB2 LEU 6 HB2 LEU 6 -0.915 3.009 -10.490 35 HB3 LEU 6 HB3 LEU 6 -0.399 3.836 -9.021 36 HG LEU 6 HG LEU 6 0.195 1.007 -8.899 37 HD11 LEU 6 HD11 LEU 6 1.505 2.546 -11.134 38 HD12 LEU 6 HD12 LEU 6 0.295 1.284 -11.359 39 HD13 LEU 6 HD13 LEU 6 1.853 0.891 -10.633 40 HD21 LEU 6 HD21 LEU 6 1.538 3.620 -8.490 41 HD22 LEU 6 HD22 LEU 6 2.559 2.208 -8.761 42 HD23 LEU 6 HD23 LEU 6 1.416 2.226 -7.417 43 H LYS 7 H LYS 7 -1.551 -0.054 -8.421 44 HA LYS 7 HA LYS 7 -2.649 -1.010 -10.859 45 HB2 LYS 7 HB2 LYS 7 -1.663 -2.288 -8.337 46 HB3 LYS 7 HB3 LYS 7 -2.542 -3.258 -9.510 47 HG2 LYS 7 HG2 LYS 7 -0.476 -3.622 -10.321 48 HG3 LYS 7 HG3 LYS 7 -0.771 -2.089 -11.145 49 HD2 LYS 7 HD2 LYS 7 0.360 -0.905 -9.309 50 HD3 LYS 7 HD3 LYS 7 0.683 -2.453 -8.524 51 HE2 LYS 7 HE2 LYS 7 2.614 -1.572 -9.805 52 HE3 LYS 7 HE3 LYS 7 2.067 -3.153 -10.361 53 HZ1 LYS 7 HZ1 LYS 7 0.983 -0.765 -11.667 54 HZ2 LYS 7 HZ2 LYS 7 1.281 -2.301 -12.308 55 HZ3 LYS 7 HZ3 LYS 7 2.565 -1.232 -12.042 56 H VAL 8 H VAL 8 -3.795 -1.197 -7.490 57 HA VAL 8 HA VAL 8 -6.170 -2.535 -7.882 58 HB VAL 8 HB VAL 8 -7.030 -1.360 -5.880 59 HG11 VAL 8 HG11 VAL 8 -4.195 -2.370 -5.788 60 HG12 VAL 8 HG12 VAL 8 -5.163 -2.048 -4.349 61 HG13 VAL 8 HG13 VAL 8 -5.677 -3.281 -5.501 62 HG21 VAL 8 HG21 VAL 8 -5.797 0.360 -4.794 63 HG22 VAL 8 HG22 VAL 8 -4.443 0.184 -5.911 64 HG23 VAL 8 HG23 VAL 8 -5.976 0.844 -6.480 65 H LEU 9 H LEU 9 -5.356 0.730 -8.728 66 HA LEU 9 HA LEU 9 -7.842 1.936 -8.889 67 HB2 LEU 9 HB2 LEU 9 -5.602 2.284 -10.872 68 HB3 LEU 9 HB3 LEU 9 -6.882 3.438 -10.503 69 HG LEU 9 HG LEU 9 -4.546 2.655 -8.770 70 HD11 LEU 9 HD11 LEU 9 -4.064 4.315 -10.472 71 HD12 LEU 9 HD12 LEU 9 -4.066 5.058 -8.873 72 HD13 LEU 9 HD13 LEU 9 -5.445 5.281 -9.949 73 HD21 LEU 9 HD21 LEU 9 -6.396 2.777 -7.283 74 HD22 LEU 9 HD22 LEU 9 -7.022 4.223 -8.076 75 HD23 LEU 9 HD23 LEU 9 -5.524 4.304 -7.148 76 H THR 10 H THR 10 -6.306 -0.323 -11.097 77 HA THR 10 HA THR 10 -8.488 -0.095 -13.012 78 HB THR 10 HB THR 10 -7.165 -1.924 -14.220 79 HG1 THR 10 HG1 THR 10 -5.853 -2.668 -12.575 80 HG21 THR 10 HG21 THR 10 -5.199 -0.079 -14.540 81 HG22 THR 10 HG22 THR 10 -6.472 0.910 -13.825 82 HG23 THR 10 HG23 THR 10 -6.781 0.014 -15.312 83 H THR 11 H THR 11 -7.269 -2.300 -10.577 84 HA THR 11 HA THR 11 -8.884 -4.525 -11.290 85 HB THR 11 HB THR 11 -7.922 -4.019 -8.487 86 HG1 THR 11 HG1 THR 11 -5.889 -4.792 -9.136 87 HG21 THR 11 HG21 THR 11 -8.697 -6.102 -8.264 88 HG22 THR 11 HG22 THR 11 -7.377 -6.625 -9.310 89 HG23 THR 11 HG23 THR 11 -8.956 -6.257 -10.001 90 H GLY 12 H GLY 12 -9.492 -1.603 -9.558 91 HA2 GLY 12 HA2 GLY 12 -11.738 -2.543 -8.051 92 HA3 GLY 12 HA3 GLY 12 -11.297 -0.864 -8.325 93 H LEU 13 H LEU 13 -11.297 -1.559 -11.315 94 HA LEU 13 HA LEU 13 -13.879 -0.579 -11.874 95 HB2 LEU 13 HB2 LEU 13 -12.458 -0.066 -13.569 96 HB3 LEU 13 HB3 LEU 13 -11.585 -1.592 -13.443 97 HG LEU 13 HG LEU 13 -13.443 -2.718 -14.615 98 HD11 LEU 13 HD11 LEU 13 -15.266 -1.566 -15.525 99 HD12 LEU 13 HD12 LEU 13 -14.536 0.010 -15.224 100 HD13 LEU 13 HD13 LEU 13 -15.132 -0.957 -13.875 101 HD21 LEU 13 HD21 LEU 13 -12.265 -0.347 -16.061 102 HD22 LEU 13 HD22 LEU 13 -12.991 -1.760 -16.827 103 HD23 LEU 13 HD23 LEU 13 -11.517 -1.933 -15.873 104 HA PRO 14 HA PRO 14 -14.933 -5.063 -13.337 105 HB2 PRO 14 HB2 PRO 14 -13.184 -7.030 -12.672 106 HB3 PRO 14 HB3 PRO 14 -13.065 -6.107 -14.175 107 HG2 PRO 14 HG2 PRO 14 -11.558 -5.755 -11.613 108 HG3 PRO 14 HG3 PRO 14 -10.959 -5.697 -13.280 109 HD2 PRO 14 HD2 PRO 14 -11.470 -3.464 -11.837 110 HD3 PRO 14 HD3 PRO 14 -11.684 -3.532 -13.598 111 H ALA 15 H ALA 15 -13.328 -4.549 -10.271 112 HA ALA 15 HA ALA 15 -14.862 -6.575 -8.894 113 HB1 ALA 15 HB1 ALA 15 -13.444 -4.526 -7.318 114 HB2 ALA 15 HB2 ALA 15 -13.438 -6.284 -7.168 115 HB3 ALA 15 HB3 ALA 15 -12.446 -5.501 -8.398 116 H LEU 16 H LEU 16 -15.077 -3.165 -9.526 117 HA LEU 16 HA LEU 16 -16.795 -2.391 -7.452 118 HB2 LEU 16 HB2 LEU 16 -15.739 -0.716 -8.757 119 HB3 LEU 16 HB3 LEU 16 -16.419 -1.359 -10.251 120 HG LEU 16 HG LEU 16 -18.508 -0.565 -8.421 121 HD11 LEU 16 HD11 LEU 16 -16.436 0.988 -7.901 122 HD12 LEU 16 HD12 LEU 16 -18.073 1.633 -8.009 123 HD13 LEU 16 HD13 LEU 16 -16.972 1.790 -9.377 124 HD21 LEU 16 HD21 LEU 16 -19.083 -0.822 -10.661 125 HD22 LEU 16 HD22 LEU 16 -17.664 0.058 -11.229 126 HD23 LEU 16 HD23 LEU 16 -18.994 0.928 -10.462 127 H ILE 17 H ILE 17 -17.663 -3.144 -10.833 128 HA ILE 17 HA ILE 17 -20.448 -3.278 -10.278 129 HB ILE 17 HB ILE 17 -20.759 -3.923 -12.521 130 HG12 ILE 17 HG12 ILE 17 -19.095 -5.826 -12.385 131 HG13 ILE 17 HG13 ILE 17 -19.127 -4.960 -13.917 132 HG21 ILE 17 HG21 ILE 17 -18.265 -2.234 -12.384 133 HG22 ILE 17 HG22 ILE 17 -19.319 -2.381 -13.789 134 HG23 ILE 17 HG23 ILE 17 -19.929 -1.658 -12.302 135 HD11 ILE 17 HD11 ILE 17 -17.153 -3.673 -13.175 136 HD12 ILE 17 HD12 ILE 17 -17.095 -4.669 -11.721 137 HD13 ILE 17 HD13 ILE 17 -16.857 -5.406 -13.305 138 H SER 18 H SER 18 -17.851 -5.604 -10.268 139 HA SER 18 HA SER 18 -19.274 -7.985 -10.467 140 HB2 SER 18 HB2 SER 18 -16.919 -8.152 -10.540 141 HB3 SER 18 HB3 SER 18 -16.725 -7.266 -9.028 142 HG SER 18 HG SER 18 -16.453 -9.367 -8.490 143 H TRP 19 H TRP 19 -18.895 -5.790 -7.776 144 HA TRP 19 HA TRP 19 -19.758 -7.487 -5.708 145 HB2 TRP 19 HB2 TRP 19 -18.657 -5.294 -5.348 146 HB3 TRP 19 HB3 TRP 19 -20.116 -4.490 -5.922 147 HD1 TRP 19 HD1 TRP 19 -22.420 -5.204 -4.373 148 HE1 TRP 19 HE1 TRP 19 -22.568 -5.307 -1.806 149 HE3 TRP 19 HE3 TRP 19 -17.443 -5.640 -3.290 150 HZ2 TRP 19 HZ2 TRP 19 -20.808 -5.541 0.388 151 HZ3 TRP 19 HZ3 TRP 19 -16.758 -5.798 -0.932 152 HH2 TRP 19 HH2 TRP 19 -18.407 -5.748 0.868 153 H ILE 20 H ILE 20 -21.581 -5.133 -7.663 154 HA ILE 20 HA ILE 20 -24.098 -5.868 -6.526 155 HB ILE 20 HB ILE 20 -23.799 -3.638 -7.428 156 HG12 ILE 20 HG12 ILE 20 -25.815 -3.506 -8.840 157 HG13 ILE 20 HG13 ILE 20 -25.757 -5.249 -9.083 158 HG21 ILE 20 HG21 ILE 20 -23.607 -3.286 -9.872 159 HG22 ILE 20 HG22 ILE 20 -22.198 -4.081 -9.170 160 HG23 ILE 20 HG23 ILE 20 -23.383 -5.024 -10.072 161 HD11 ILE 20 HD11 ILE 20 -26.204 -5.637 -6.760 162 HD12 ILE 20 HD12 ILE 20 -26.101 -3.911 -6.412 163 HD13 ILE 20 HD13 ILE 20 -27.417 -4.533 -7.407 164 H LYS 21 H LYS 21 -22.245 -6.862 -9.318 165 HA LYS 21 HA LYS 21 -24.290 -8.166 -10.746 166 HB2 LYS 21 HB2 LYS 21 -21.301 -8.483 -10.665 167 HB3 LYS 21 HB3 LYS 21 -22.299 -9.538 -11.658 168 HG2 LYS 21 HG2 LYS 21 -22.133 -6.538 -11.862 169 HG3 LYS 21 HG3 LYS 21 -21.414 -7.708 -12.972 170 HD2 LYS 21 HD2 LYS 21 -24.001 -8.521 -12.970 171 HD3 LYS 21 HD3 LYS 21 -24.198 -6.783 -12.731 172 HE2 LYS 21 HE2 LYS 21 -22.682 -6.439 -14.699 173 HE3 LYS 21 HE3 LYS 21 -22.755 -8.178 -14.980 174 HZ1 LYS 21 HZ1 LYS 21 -24.800 -6.140 -15.398 175 HZ2 LYS 21 HZ2 LYS 21 -25.330 -7.653 -14.859 176 HZ3 LYS 21 HZ3 LYS 21 -24.455 -7.528 -16.302 177 H ARG 22 H ARG 22 -21.945 -9.407 -8.378 178 HA ARG 22 HA ARG 22 -22.822 -12.077 -8.427 179 HB2 ARG 22 HB2 ARG 22 -21.583 -12.358 -6.368 180 HB3 ARG 22 HB3 ARG 22 -20.667 -11.331 -7.462 181 HG2 ARG 22 HG2 ARG 22 -20.991 -9.445 -6.183 182 HG3 ARG 22 HG3 ARG 22 -22.449 -10.085 -5.422 183 HD2 ARG 22 HD2 ARG 22 -19.801 -11.399 -4.959 184 HD3 ARG 22 HD3 ARG 22 -20.239 -9.946 -4.061 185 HE ARG 22 HE ARG 22 -21.261 -12.585 -3.665 186 HH11 ARG 22 HH11 ARG 22 -22.019 -9.198 -3.398 187 HH12 ARG 22 HH12 ARG 22 -23.200 -9.427 -2.151 188 HH21 ARG 22 HH21 ARG 22 -22.814 -12.900 -2.024 189 HH22 ARG 22 HH22 ARG 22 -23.650 -11.533 -1.370 190 H LYS 23 H LYS 23 -24.140 -9.253 -6.961 191 HA LYS 23 HA LYS 23 -25.536 -10.190 -4.792 192 HB2 LYS 23 HB2 LYS 23 -25.448 -7.818 -5.666 193 HB3 LYS 23 HB3 LYS 23 -26.695 -8.275 -6.819 194 HG2 LYS 23 HG2 LYS 23 -27.859 -7.268 -5.072 195 HG3 LYS 23 HG3 LYS 23 -28.062 -8.998 -4.787 196 HD2 LYS 23 HD2 LYS 23 -27.542 -8.103 -2.681 197 HD3 LYS 23 HD3 LYS 23 -26.028 -8.808 -3.254 198 HE2 LYS 23 HE2 LYS 23 -25.192 -6.655 -3.887 199 HE3 LYS 23 HE3 LYS 23 -26.752 -5.899 -3.566 200 HZ1 LYS 23 HZ1 LYS 23 -25.347 -7.313 -1.403 201 HZ2 LYS 23 HZ2 LYS 23 -26.456 -6.040 -1.305 202 HZ3 LYS 23 HZ3 LYS 23 -24.872 -5.743 -1.819 203 H ARG 24 H ARG 24 -26.807 -10.030 -8.125 204 HA ARG 24 HA ARG 24 -28.620 -12.246 -7.426 205 HB2 ARG 24 HB2 ARG 24 -29.974 -11.206 -9.431 206 HB3 ARG 24 HB3 ARG 24 -30.130 -10.555 -7.805 207 HG2 ARG 24 HG2 ARG 24 -29.133 -8.604 -8.342 208 HG3 ARG 24 HG3 ARG 24 -28.019 -9.362 -9.482 209 HD2 ARG 24 HD2 ARG 24 -29.408 -9.066 -11.229 210 HD3 ARG 24 HD3 ARG 24 -30.846 -9.432 -10.276 211 HE ARG 24 HE ARG 24 -29.813 -6.851 -10.882 212 HH11 ARG 24 HH11 ARG 24 -31.478 -8.681 -8.432 213 HH12 ARG 24 HH12 ARG 24 -32.274 -7.298 -7.756 214 HH21 ARG 24 HH21 ARG 24 -30.855 -5.024 -10.000 215 HH22 ARG 24 HH22 ARG 24 -31.919 -5.219 -8.649 216 H GLN 25 H GLN 25 -26.785 -10.715 -10.047 217 HA GLN 25 HA GLN 25 -25.716 -13.095 -11.033 218 HB2 GLN 25 HB2 GLN 25 -28.421 -12.607 -11.881 219 HB3 GLN 25 HB3 GLN 25 -27.342 -12.529 -13.268 220 HG2 GLN 25 HG2 GLN 25 -26.423 -14.761 -12.077 221 HG3 GLN 25 HG3 GLN 25 -28.118 -14.819 -11.595 222 HE21 GLN 25 HE21 GLN 25 -25.993 -15.797 -13.874 223 HE22 GLN 25 HE22 GLN 25 -27.068 -16.031 -15.205 224 H GLN 26 H GLN 26 -24.603 -12.801 -13.130 225 HA GLN 26 HA GLN 26 -23.239 -10.351 -13.221 226 HB2 GLN 26 HB2 GLN 26 -22.737 -12.794 -14.218 227 HB3 GLN 26 HB3 GLN 26 -23.305 -12.004 -15.683 228 HG2 GLN 26 HG2 GLN 26 -21.381 -10.403 -14.202 229 HG3 GLN 26 HG3 GLN 26 -20.741 -11.965 -14.711 230 HE21 GLN 26 HE21 GLN 26 -21.294 -12.521 -17.045 231 HE22 GLN 26 HE22 GLN 26 -21.087 -11.250 -18.197
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