NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643132 | 6g4v | 34253 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 -14.372 -27.779 -0.060 2 HA PHE 1 HA PHE 1 -13.358 -27.370 -2.514 3 HB2 PHE 1 HB1 PHE 1 -14.636 -25.281 -0.633 4 HB3 PHE 1 HB2 PHE 1 -14.439 -25.031 -2.411 5 HD1 PHE 1 HD1 PHE 1 -15.318 -26.944 -3.959 6 HD2 PHE 1 HD2 PHE 1 -16.672 -26.246 0.062 7 HE1 PHE 1 HE1 PHE 1 -17.431 -28.128 -4.464 8 HE2 PHE 1 HE2 PHE 1 -18.786 -27.426 -0.449 9 HZ PHE 1 HZ PHE 1 -19.169 -28.366 -2.709 10 H LEU 2 HN LEU 2 -12.657 -24.542 -2.681 11 HA LEU 2 HA LEU 2 -10.013 -24.407 -1.511 12 HB2 LEU 2 HB1 LEU 2 -10.564 -24.274 -4.564 13 HB3 LEU 2 HB2 LEU 2 -9.019 -23.863 -3.769 14 HG LEU 2 HG LEU 2 -9.248 -26.412 -2.865 15 HD11 LEU 2 HD11 LEU 2 -10.586 -26.453 -5.656 16 HD12 LEU 2 HD12 LEU 2 -11.397 -26.908 -4.114 17 HD13 LEU 2 HD13 LEU 2 -10.027 -27.896 -4.742 18 HD21 LEU 2 HD21 LEU 2 -7.300 -25.420 -4.056 19 HD22 LEU 2 HD22 LEU 2 -8.168 -25.573 -5.628 20 HD23 LEU 2 HD23 LEU 2 -7.695 -27.050 -4.714 21 HA PRO 3 HA PRO 3 -11.704 -20.377 -1.500 22 HB2 PRO 3 HB1 PRO 3 -9.566 -18.633 -1.258 23 HB3 PRO 3 HB2 PRO 3 -9.982 -19.860 -0.002 24 HG2 PRO 3 HG1 PRO 3 -7.907 -20.135 -2.247 25 HG3 PRO 3 HG2 PRO 3 -7.667 -20.426 -0.473 26 HD2 PRO 3 HD1 PRO 3 -8.215 -22.486 -2.220 27 HD3 PRO 3 HD2 PRO 3 -8.986 -22.453 -0.566 28 H ILE 4 HN ILE 4 -12.825 -20.014 -3.357 29 HA ILE 4 HA ILE 4 -11.837 -19.835 -5.888 30 HB ILE 4 HB ILE 4 -14.429 -18.639 -4.811 31 HG12 ILE 4 HG11 ILE 4 -13.835 -21.445 -5.944 32 HG13 ILE 4 HG12 ILE 4 -14.056 -21.085 -4.206 33 HG21 ILE 4 HG21 ILE 4 -13.911 -17.826 -7.144 34 HG22 ILE 4 HG22 ILE 4 -13.611 -19.526 -7.670 35 HG23 ILE 4 HG23 ILE 4 -15.258 -18.995 -7.175 36 HD11 ILE 4 HD1 ILE 4 -16.152 -21.982 -5.066 37 HD12 ILE 4 HD2 ILE 4 -16.399 -20.241 -4.682 38 HD13 ILE 4 HD3 ILE 4 -16.208 -20.775 -6.393 39 H LEU 5 HN LEU 5 -12.547 -17.058 -3.726 40 HA LEU 5 HA LEU 5 -12.062 -15.040 -5.576 41 HB2 LEU 5 HB1 LEU 5 -11.622 -15.046 -2.524 42 HB3 LEU 5 HB2 LEU 5 -11.639 -13.592 -3.564 43 HG LEU 5 HG LEU 5 -13.685 -13.643 -2.449 44 HD11 LEU 5 HD11 LEU 5 -15.363 -13.657 -4.237 45 HD12 LEU 5 HD12 LEU 5 -14.314 -14.674 -5.284 46 HD13 LEU 5 HD13 LEU 5 -13.812 -12.990 -4.862 47 HD21 LEU 5 HD21 LEU 5 -13.768 -16.067 -1.775 48 HD22 LEU 5 HD22 LEU 5 -14.393 -16.468 -3.432 49 HD23 LEU 5 HD23 LEU 5 -15.335 -15.395 -2.350 50 H ALA 6 HN ALA 6 -9.725 -16.769 -3.463 51 HA ALA 6 HA ALA 6 -7.503 -15.142 -4.149 52 HB1 ALA 6 HB1 ALA 6 -6.174 -17.001 -3.126 53 HB2 ALA 6 HB2 ALA 6 -7.584 -16.577 -2.092 54 HB3 ALA 6 HB3 ALA 6 -7.643 -18.048 -3.133 55 H SER 7 HN SER 7 -8.699 -18.295 -5.464 56 HA SER 7 HA SER 7 -6.753 -18.589 -7.433 57 HB2 SER 7 HB1 SER 7 -9.699 -19.461 -7.527 58 HB3 SER 7 HB2 SER 7 -8.387 -20.076 -8.608 59 HG SER 7 HG1 SER 7 -8.746 -21.455 -6.823 60 H LEU 8 HN LEU 8 -9.925 -16.890 -7.666 61 HA LEU 8 HA LEU 8 -9.693 -16.197 -10.376 62 HB2 LEU 8 HB1 LEU 8 -11.771 -16.225 -8.974 63 HB3 LEU 8 HB2 LEU 8 -11.194 -14.803 -8.070 64 HG LEU 8 HG LEU 8 -12.990 -14.446 -9.814 65 HD11 LEU 8 HD11 LEU 8 -12.232 -12.292 -10.614 66 HD12 LEU 8 HD12 LEU 8 -10.506 -12.720 -10.367 67 HD13 LEU 8 HD13 LEU 8 -11.606 -12.545 -8.944 68 HD21 LEU 8 HD21 LEU 8 -12.100 -15.959 -11.603 69 HD22 LEU 8 HD22 LEU 8 -10.752 -14.791 -11.902 70 HD23 LEU 8 HD23 LEU 8 -12.455 -14.297 -12.202 71 H ALA 9 HN ALA 9 -8.769 -14.370 -7.404 72 HA ALA 9 HA ALA 9 -7.729 -12.135 -8.702 73 HB1 ALA 9 HB1 ALA 9 -6.964 -13.422 -6.016 74 HB2 ALA 9 HB2 ALA 9 -6.560 -11.732 -6.511 75 HB3 ALA 9 HB3 ALA 9 -8.277 -12.223 -6.270 76 H ALA 10 HN ALA 10 -6.050 -15.202 -7.756 77 HA ALA 10 HA ALA 10 -3.531 -14.459 -8.695 78 HB1 ALA 10 HB1 ALA 10 -3.068 -16.919 -8.645 79 HB2 ALA 10 HB2 ALA 10 -3.985 -16.400 -7.185 80 HB3 ALA 10 HB3 ALA 10 -4.842 -17.237 -8.524 81 H LYS 11 HN LYS 11 -6.218 -16.058 -10.510 82 HA LYS 11 HA LYS 11 -4.667 -16.329 -12.868 83 HB2 LYS 11 HB1 LYS 11 -6.928 -17.446 -12.016 84 HB3 LYS 11 HB2 LYS 11 -7.711 -16.148 -12.942 85 HG2 LYS 11 HG1 LYS 11 -5.707 -18.282 -13.967 86 HG3 LYS 11 HG2 LYS 11 -7.485 -18.337 -14.151 87 HD2 LYS 11 HD1 LYS 11 -7.382 -16.242 -15.565 88 HD3 LYS 11 HD2 LYS 11 -5.588 -16.291 -15.448 89 HE2 LYS 11 HE1 LYS 11 -5.567 -18.560 -16.555 90 HE3 LYS 11 HE2 LYS 11 -7.364 -18.477 -16.736 91 HZ1 LYS 11 HZ1 LYS 11 -7.084 -16.492 -18.075 92 HZ2 LYS 11 HZ2 LYS 11 -6.192 -17.774 -18.731 93 HZ3 LYS 11 HZ3 LYS 11 -5.402 -16.542 -17.876 94 H PHE 12 HN PHE 12 -7.036 -13.767 -11.891 95 HA PHE 12 HA PHE 12 -6.718 -12.399 -14.404 96 HB2 PHE 12 HB1 PHE 12 -8.900 -12.550 -13.141 97 HB3 PHE 12 HB2 PHE 12 -8.171 -11.629 -11.788 98 HD1 PHE 12 HD1 PHE 12 -8.516 -9.316 -11.778 99 HD2 PHE 12 HD2 PHE 12 -8.711 -11.398 -15.533 100 HE1 PHE 12 HE1 PHE 12 -9.185 -7.214 -12.911 101 HE2 PHE 12 HE2 PHE 12 -9.374 -9.296 -16.662 102 HZ PHE 12 HZ PHE 12 -9.609 -7.204 -15.355 103 H GLY 13 HN GLY 13 -5.573 -11.848 -11.037 104 HA2 GLY 13 HA1 GLY 13 -4.098 -9.461 -11.939 105 HA3 GLY 13 HA2 GLY 13 -5.324 -9.426 -10.628 106 HA PRO 14 HA PRO 14 -1.879 -11.609 -8.389 107 HB2 PRO 14 HB1 PRO 14 0.388 -12.658 -9.624 108 HB3 PRO 14 HB2 PRO 14 -1.183 -13.546 -9.632 109 HG2 PRO 14 HG1 PRO 14 -0.092 -11.721 -11.844 110 HG3 PRO 14 HG2 PRO 14 -0.717 -13.418 -11.993 111 HD2 PRO 14 HD1 PRO 14 -2.351 -11.230 -12.479 112 HD3 PRO 14 HD2 PRO 14 -2.991 -12.722 -11.672 113 H LYS 15 HN LYS 15 -1.451 -9.414 -10.791 114 HA LYS 15 HA LYS 15 0.730 -7.813 -10.169 115 HB2 LYS 15 HB1 LYS 15 -2.150 -7.075 -11.024 116 HB3 LYS 15 HB2 LYS 15 -0.707 -6.038 -11.250 117 HG2 LYS 15 HG1 LYS 15 0.263 -7.611 -12.838 118 HG3 LYS 15 HG2 LYS 15 -1.043 -8.807 -12.625 119 HD2 LYS 15 HD1 LYS 15 -1.579 -5.925 -13.548 120 HD3 LYS 15 HD2 LYS 15 -1.069 -7.161 -14.718 121 HE2 LYS 15 HE1 LYS 15 -3.575 -7.527 -12.936 122 HE3 LYS 15 HE2 LYS 15 -3.629 -6.671 -14.522 123 HZ1 LYS 15 HZ1 LYS 15 -2.409 -9.353 -14.409 124 HZ2 LYS 15 HZ2 LYS 15 -3.212 -8.566 -15.672 125 HZ3 LYS 15 HZ3 LYS 15 -4.089 -9.222 -14.393 126 H LEU 16 HN LEU 16 -2.588 -7.922 -8.622 127 HA LEU 16 HA LEU 16 -2.025 -5.680 -6.966 128 HB2 LEU 16 HB1 LEU 16 -4.134 -6.000 -5.931 129 HB3 LEU 16 HB2 LEU 16 -4.306 -6.304 -7.676 130 HG LEU 16 HG LEU 16 -3.931 -8.890 -6.823 131 HD11 LEU 16 HD11 LEU 16 -3.805 -8.253 -4.376 132 HD12 LEU 16 HD12 LEU 16 -5.241 -9.270 -4.747 133 HD13 LEU 16 HD13 LEU 16 -5.435 -7.496 -4.511 134 HD21 LEU 16 HD21 LEU 16 -6.597 -7.344 -6.796 135 HD22 LEU 16 HD22 LEU 16 -6.400 -9.130 -6.939 136 HD23 LEU 16 HD23 LEU 16 -5.790 -8.054 -8.249 137 H PHE 17 HN PHE 17 -1.808 -9.222 -6.402 138 HA PHE 17 HA PHE 17 -0.988 -9.045 -3.724 139 HB2 PHE 17 HB1 PHE 17 -0.292 -11.158 -5.870 140 HB3 PHE 17 HB2 PHE 17 -0.007 -11.361 -4.102 141 HD1 PHE 17 HD1 PHE 17 -1.968 -12.665 -6.422 142 HD2 PHE 17 HD2 PHE 17 -2.423 -10.401 -2.790 143 HE1 PHE 17 HE1 PHE 17 -4.207 -13.657 -6.074 144 HE2 PHE 17 HE2 PHE 17 -4.655 -11.384 -2.460 145 HZ PHE 17 HZ PHE 17 -5.554 -13.017 -4.093 146 H SER 18 HN SER 18 0.925 -9.040 -6.729 147 HA SER 18 HA SER 18 3.472 -8.960 -5.618 148 HB2 SER 18 HB1 SER 18 2.525 -7.557 -8.195 149 HB3 SER 18 HB2 SER 18 4.226 -7.957 -7.765 150 HG SER 18 HG1 SER 18 2.099 -9.801 -8.243 151 H LEU 19 HN LEU 19 1.259 -6.191 -6.315 152 HA LEU 19 HA LEU 19 3.057 -4.195 -5.471 153 HB2 LEU 19 HB1 LEU 19 -0.003 -4.327 -5.506 154 HB3 LEU 19 HB2 LEU 19 0.890 -2.839 -5.060 155 HG LEU 19 HG LEU 19 1.197 -4.252 -7.766 156 HD11 LEU 19 HD11 LEU 19 -0.257 -2.436 -8.666 157 HD12 LEU 19 HD12 LEU 19 -0.519 -1.803 -6.997 158 HD13 LEU 19 HD13 LEU 19 -1.137 -3.437 -7.451 159 HD21 LEU 19 HD21 LEU 19 2.192 -2.062 -8.476 160 HD22 LEU 19 HD22 LEU 19 3.164 -2.834 -7.176 161 HD23 LEU 19 HD23 LEU 19 2.067 -1.454 -6.784 162 H VAL 20 HN VAL 20 0.649 -6.075 -3.503 163 HA VAL 20 HA VAL 20 1.382 -4.454 -1.215 164 HB VAL 20 HB VAL 20 -0.252 -5.641 0.082 165 HG11 VAL 20 HG11 VAL 20 -0.777 -3.599 -1.308 166 HG12 VAL 20 HG12 VAL 20 -1.262 -4.671 -2.675 167 HG13 VAL 20 HG13 VAL 20 -2.188 -4.703 -1.138 168 HG21 VAL 20 HG21 VAL 20 -1.882 -7.165 -1.099 169 HG22 VAL 20 HG22 VAL 20 -0.788 -7.233 -2.521 170 HG23 VAL 20 HG23 VAL 20 -0.269 -7.927 -0.930 171 H THR 21 HN THR 21 1.802 -8.009 -1.929 172 HA THR 21 HA THR 21 3.148 -8.188 0.665 173 HB THR 21 HB THR 21 1.281 -9.617 0.504 174 HG1 THR 21 HG1 THR 21 3.337 -11.422 0.319 175 HG21 THR 21 HG21 THR 21 1.134 -10.166 -1.891 176 HG22 THR 21 HG22 THR 21 1.332 -11.675 -0.940 177 HG23 THR 21 HG23 THR 21 2.733 -11.008 -1.848 178 H LYS 22 HN LYS 22 4.712 -6.902 -0.749 179 HA LYS 22 HA LYS 22 6.530 -8.113 -2.445 180 HB2 LYS 22 HB1 LYS 22 6.903 -5.821 -0.440 181 HB3 LYS 22 HB2 LYS 22 7.993 -6.145 -1.828 182 HG2 LYS 22 HG1 LYS 22 6.284 -5.667 -3.452 183 HG3 LYS 22 HG2 LYS 22 4.977 -5.590 -2.258 184 HD2 LYS 22 HD1 LYS 22 7.381 -3.661 -2.354 185 HD3 LYS 22 HD2 LYS 22 5.797 -3.341 -3.113 186 HE2 LYS 22 HE1 LYS 22 6.254 -3.710 -0.060 187 HE3 LYS 22 HE2 LYS 22 6.040 -2.151 -0.941 188 HZ1 LYS 22 HZ1 LYS 22 3.925 -2.457 -0.482 189 HZ2 LYS 22 HZ2 LYS 22 4.019 -4.144 -0.229 190 HZ3 LYS 22 HZ3 LYS 22 3.904 -3.511 -1.772 191 H LYS 23 HN LYS 23 6.585 -8.066 1.129 192 HA LYS 23 HA LYS 23 9.170 -9.251 1.385 193 HB2 LYS 23 HB1 LYS 23 8.035 -8.005 3.240 194 HB3 LYS 23 HB2 LYS 23 6.749 -9.257 3.284 195 HG2 LYS 23 HG1 LYS 23 8.467 -10.984 3.931 196 HG3 LYS 23 HG2 LYS 23 9.738 -9.725 3.901 197 HD2 LYS 23 HD1 LYS 23 8.573 -8.517 5.760 198 HD3 LYS 23 HD2 LYS 23 7.236 -9.721 5.706 199 HE2 LYS 23 HE1 LYS 23 8.852 -11.559 6.335 200 HE3 LYS 23 HE2 LYS 23 10.188 -10.345 6.429 201 HZ1 LYS 23 HZ1 LYS 23 7.705 -10.352 8.084 202 HZ2 LYS 23 HZ2 LYS 23 8.958 -9.213 8.178 203 HZ3 LYS 23 HZ3 LYS 23 9.248 -10.830 8.589 204 H SER 24 HN SER 24 5.880 -10.651 1.078 205 HA SER 24 HA SER 24 7.091 -13.357 1.210 206 HB2 SER 24 HB1 SER 24 4.330 -12.477 2.243 207 HB3 SER 24 HB2 SER 24 4.937 -14.172 2.179 208 HG SER 24 HG1 SER 24 5.230 -13.292 4.218 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 -14.084 -27.280 -0.237 2 HA PHE 1 HA PHE 1 -13.389 -27.275 -2.999 3 HB2 PHE 1 HB1 PHE 1 -14.446 -24.948 -3.016 4 HB3 PHE 1 HB2 PHE 1 -15.518 -26.247 -2.402 5 HD1 PHE 1 HD1 PHE 1 -16.249 -26.308 -0.113 6 HD2 PHE 1 HD2 PHE 1 -13.447 -23.315 -1.411 7 HE1 PHE 1 HE1 PHE 1 -16.594 -25.065 1.999 8 HE2 PHE 1 HE2 PHE 1 -13.793 -22.079 0.708 9 HZ PHE 1 HZ PHE 1 -15.363 -22.956 2.413 10 H LEU 2 HN LEU 2 -12.410 -24.849 -3.678 11 HA LEU 2 HA LEU 2 -9.944 -24.498 -2.119 12 HB2 LEU 2 HB1 LEU 2 -10.261 -24.436 -5.194 13 HB3 LEU 2 HB2 LEU 2 -8.835 -23.840 -4.296 14 HG LEU 2 HG LEU 2 -8.693 -26.273 -3.311 15 HD11 LEU 2 HD11 LEU 2 -9.378 -28.041 -4.980 16 HD12 LEU 2 HD12 LEU 2 -10.247 -26.792 -5.936 17 HD13 LEU 2 HD13 LEU 2 -10.818 -27.221 -4.279 18 HD21 LEU 2 HD21 LEU 2 -6.995 -25.187 -4.772 19 HD22 LEU 2 HD22 LEU 2 -7.953 -25.632 -6.235 20 HD23 LEU 2 HD23 LEU 2 -7.215 -26.918 -5.215 21 HA PRO 3 HA PRO 3 -11.771 -20.489 -1.910 22 HB2 PRO 3 HB1 PRO 3 -9.573 -18.723 -1.853 23 HB3 PRO 3 HB2 PRO 3 -10.106 -19.752 -0.468 24 HG2 PRO 3 HG1 PRO 3 -7.952 -20.415 -2.551 25 HG3 PRO 3 HG2 PRO 3 -7.813 -20.490 -0.744 26 HD2 PRO 3 HD1 PRO 3 -8.359 -22.730 -2.221 27 HD3 PRO 3 HD2 PRO 3 -9.263 -22.447 -0.663 28 H ILE 4 HN ILE 4 -12.986 -19.710 -3.484 29 HA ILE 4 HA ILE 4 -12.260 -19.678 -6.158 30 HB ILE 4 HB ILE 4 -14.521 -18.187 -4.752 31 HG12 ILE 4 HG11 ILE 4 -14.481 -20.966 -6.084 32 HG13 ILE 4 HG12 ILE 4 -14.430 -20.705 -4.317 33 HG21 ILE 4 HG21 ILE 4 -15.630 -18.275 -7.021 34 HG22 ILE 4 HG22 ILE 4 -14.129 -17.312 -7.089 35 HG23 ILE 4 HG23 ILE 4 -14.142 -19.003 -7.721 36 HD11 ILE 4 HD1 ILE 4 -16.662 -19.503 -4.433 37 HD12 ILE 4 HD2 ILE 4 -16.760 -19.924 -6.182 38 HD13 ILE 4 HD3 ILE 4 -16.729 -21.226 -4.948 39 H LEU 5 HN LEU 5 -12.424 -16.953 -3.832 40 HA LEU 5 HA LEU 5 -11.821 -14.915 -5.601 41 HB2 LEU 5 HB1 LEU 5 -11.149 -15.148 -2.599 42 HB3 LEU 5 HB2 LEU 5 -11.083 -13.644 -3.564 43 HG LEU 5 HG LEU 5 -13.027 -13.532 -2.287 44 HD11 LEU 5 HD11 LEU 5 -13.992 -14.331 -5.103 45 HD12 LEU 5 HD12 LEU 5 -13.270 -12.739 -4.647 46 HD13 LEU 5 HD13 LEU 5 -14.831 -13.266 -3.924 47 HD21 LEU 5 HD21 LEU 5 -14.131 -16.204 -3.333 48 HD22 LEU 5 HD22 LEU 5 -14.850 -15.095 -2.126 49 HD23 LEU 5 HD23 LEU 5 -13.331 -15.966 -1.718 50 H ALA 6 HN ALA 6 -9.540 -16.952 -3.697 51 HA ALA 6 HA ALA 6 -7.205 -15.629 -4.574 52 HB1 ALA 6 HB1 ALA 6 -7.634 -18.541 -3.666 53 HB2 ALA 6 HB2 ALA 6 -6.046 -17.688 -3.747 54 HB3 ALA 6 HB3 ALA 6 -7.296 -17.144 -2.576 55 H SER 7 HN SER 7 -8.947 -18.482 -5.906 56 HA SER 7 HA SER 7 -7.159 -18.995 -8.019 57 HB2 SER 7 HB1 SER 7 -8.939 -20.590 -7.289 58 HB3 SER 7 HB2 SER 7 -10.195 -19.482 -7.924 59 HG SER 7 HG1 SER 7 -9.537 -21.267 -9.309 60 H LEU 8 HN LEU 8 -10.056 -16.830 -7.966 61 HA LEU 8 HA LEU 8 -9.788 -16.041 -10.676 62 HB2 LEU 8 HB1 LEU 8 -11.807 -15.926 -9.128 63 HB3 LEU 8 HB2 LEU 8 -11.081 -14.507 -8.340 64 HG LEU 8 HG LEU 8 -11.723 -14.679 -11.356 65 HD11 LEU 8 HD11 LEU 8 -13.839 -13.473 -10.839 66 HD12 LEU 8 HD12 LEU 8 -13.479 -13.570 -9.077 67 HD13 LEU 8 HD13 LEU 8 -13.791 -15.076 -10.021 68 HD21 LEU 8 HD21 LEU 8 -10.196 -12.776 -10.878 69 HD22 LEU 8 HD22 LEU 8 -11.247 -12.251 -9.502 70 HD23 LEU 8 HD23 LEU 8 -11.848 -12.156 -11.195 71 H ALA 9 HN ALA 9 -8.754 -14.403 -7.605 72 HA ALA 9 HA ALA 9 -7.693 -12.175 -8.870 73 HB1 ALA 9 HB1 ALA 9 -6.722 -11.659 -6.627 74 HB2 ALA 9 HB2 ALA 9 -8.426 -12.226 -6.497 75 HB3 ALA 9 HB3 ALA 9 -7.082 -13.351 -6.101 76 H ALA 10 HN ALA 10 -5.932 -15.183 -7.804 77 HA ALA 10 HA ALA 10 -3.417 -14.029 -8.501 78 HB1 ALA 10 HB1 ALA 10 -2.540 -16.319 -8.041 79 HB2 ALA 10 HB2 ALA 10 -3.677 -15.794 -6.747 80 HB3 ALA 10 HB3 ALA 10 -4.230 -16.954 -8.006 81 H LYS 11 HN LYS 11 -5.891 -15.484 -10.401 82 HA LYS 11 HA LYS 11 -4.046 -16.177 -12.580 83 HB2 LYS 11 HB1 LYS 11 -5.804 -17.705 -11.950 84 HB3 LYS 11 HB2 LYS 11 -7.065 -16.441 -12.157 85 HG2 LYS 11 HG1 LYS 11 -6.894 -16.505 -14.544 86 HG3 LYS 11 HG2 LYS 11 -5.293 -17.287 -14.508 87 HD2 LYS 11 HD1 LYS 11 -7.140 -18.777 -15.261 88 HD3 LYS 11 HD2 LYS 11 -6.173 -19.440 -13.927 89 HE2 LYS 11 HE1 LYS 11 -8.905 -18.047 -13.429 90 HE3 LYS 11 HE2 LYS 11 -8.770 -19.782 -13.910 91 HZ1 LYS 11 HZ1 LYS 11 -8.839 -19.734 -11.554 92 HZ2 LYS 11 HZ2 LYS 11 -7.711 -18.517 -11.439 93 HZ3 LYS 11 HZ3 LYS 11 -7.230 -20.043 -11.966 94 H PHE 12 HN PHE 12 -6.900 -13.944 -12.115 95 HA PHE 12 HA PHE 12 -6.343 -12.635 -14.596 96 HB2 PHE 12 HB1 PHE 12 -8.643 -12.866 -13.567 97 HB3 PHE 12 HB2 PHE 12 -8.132 -11.798 -12.217 98 HD1 PHE 12 HD1 PHE 12 -8.527 -9.491 -12.453 99 HD2 PHE 12 HD2 PHE 12 -8.320 -11.917 -15.996 100 HE1 PHE 12 HE1 PHE 12 -9.180 -7.538 -13.833 101 HE2 PHE 12 HE2 PHE 12 -8.969 -9.964 -17.369 102 HZ PHE 12 HZ PHE 12 -9.398 -7.775 -16.292 103 H GLY 13 HN GLY 13 -5.644 -11.855 -11.158 104 HA2 GLY 13 HA1 GLY 13 -4.323 -9.350 -12.024 105 HA3 GLY 13 HA2 GLY 13 -5.453 -9.522 -10.656 106 HA PRO 14 HA PRO 14 -1.983 -11.513 -8.465 107 HB2 PRO 14 HB1 PRO 14 0.327 -12.595 -9.636 108 HB3 PRO 14 HB2 PRO 14 -1.232 -13.497 -9.580 109 HG2 PRO 14 HG1 PRO 14 -0.184 -11.775 -11.899 110 HG3 PRO 14 HG2 PRO 14 -0.775 -13.491 -11.951 111 HD2 PRO 14 HD1 PRO 14 -2.483 -11.424 -12.567 112 HD3 PRO 14 HD2 PRO 14 -3.055 -12.825 -11.565 113 H LYS 15 HN LYS 15 -1.353 -9.339 -10.933 114 HA LYS 15 HA LYS 15 0.966 -8.014 -10.180 115 HB2 LYS 15 HB1 LYS 15 -1.624 -6.744 -11.278 116 HB3 LYS 15 HB2 LYS 15 0.050 -6.144 -11.455 117 HG2 LYS 15 HG1 LYS 15 0.031 -7.109 -13.481 118 HG3 LYS 15 HG2 LYS 15 0.256 -8.668 -12.650 119 HD2 LYS 15 HD1 LYS 15 -2.300 -8.929 -12.630 120 HD3 LYS 15 HD2 LYS 15 -2.419 -7.364 -13.507 121 HE2 LYS 15 HE1 LYS 15 -1.078 -8.408 -15.427 122 HE3 LYS 15 HE2 LYS 15 -1.131 -9.986 -14.550 123 HZ1 LYS 15 HZ1 LYS 15 -3.605 -9.854 -14.686 124 HZ2 LYS 15 HZ2 LYS 15 -2.861 -9.868 -16.188 125 HZ3 LYS 15 HZ3 LYS 15 -3.474 -8.427 -15.562 126 H LEU 16 HN LEU 16 -2.409 -7.685 -8.867 127 HA LEU 16 HA LEU 16 -1.734 -5.490 -7.199 128 HB2 LEU 16 HB1 LEU 16 -3.908 -5.633 -6.249 129 HB3 LEU 16 HB2 LEU 16 -4.026 -5.942 -7.998 130 HG LEU 16 HG LEU 16 -3.886 -8.538 -7.118 131 HD11 LEU 16 HD11 LEU 16 -3.814 -7.896 -4.668 132 HD12 LEU 16 HD12 LEU 16 -5.302 -8.811 -5.095 133 HD13 LEU 16 HD13 LEU 16 -5.377 -7.025 -4.874 134 HD21 LEU 16 HD21 LEU 16 -5.616 -7.569 -8.621 135 HD22 LEU 16 HD22 LEU 16 -6.426 -6.794 -7.205 136 HD23 LEU 16 HD23 LEU 16 -6.361 -8.591 -7.337 137 H PHE 17 HN PHE 17 -1.786 -9.026 -6.614 138 HA PHE 17 HA PHE 17 -1.099 -8.865 -3.885 139 HB2 PHE 17 HB1 PHE 17 -0.533 -11.066 -5.974 140 HB3 PHE 17 HB2 PHE 17 -0.234 -11.257 -4.207 141 HD1 PHE 17 HD1 PHE 17 -2.263 -12.557 -6.396 142 HD2 PHE 17 HD2 PHE 17 -2.606 -10.025 -2.931 143 HE1 PHE 17 HE1 PHE 17 -4.536 -13.430 -5.966 144 HE2 PHE 17 HE2 PHE 17 -4.877 -10.871 -2.537 145 HZ PHE 17 HZ PHE 17 -5.853 -12.579 -4.043 146 H SER 18 HN SER 18 0.979 -9.074 -6.795 147 HA SER 18 HA SER 18 3.429 -9.149 -5.487 148 HB2 SER 18 HB1 SER 18 2.986 -9.477 -7.981 149 HB3 SER 18 HB2 SER 18 2.897 -7.696 -8.151 150 HG SER 18 HG1 SER 18 5.084 -7.685 -7.252 151 H LEU 19 HN LEU 19 1.490 -6.235 -6.384 152 HA LEU 19 HA LEU 19 3.395 -4.367 -5.475 153 HB2 LEU 19 HB1 LEU 19 0.342 -4.247 -5.693 154 HB3 LEU 19 HB2 LEU 19 1.339 -2.818 -5.269 155 HG LEU 19 HG LEU 19 1.665 -4.403 -7.878 156 HD11 LEU 19 HD11 LEU 19 0.418 -2.540 -8.962 157 HD12 LEU 19 HD12 LEU 19 0.116 -1.787 -7.351 158 HD13 LEU 19 HD13 LEU 19 -0.606 -3.393 -7.749 159 HD21 LEU 19 HD21 LEU 19 2.877 -2.357 -8.651 160 HD22 LEU 19 HD22 LEU 19 3.707 -3.111 -7.247 161 HD23 LEU 19 HD23 LEU 19 2.703 -1.625 -7.014 162 H VAL 20 HN VAL 20 0.692 -5.943 -3.629 163 HA VAL 20 HA VAL 20 1.415 -4.386 -1.316 164 HB VAL 20 HB VAL 20 -0.883 -4.853 -1.807 165 HG11 VAL 20 HG11 VAL 20 -1.901 -7.036 -1.320 166 HG12 VAL 20 HG12 VAL 20 -0.677 -7.219 -2.626 167 HG13 VAL 20 HG13 VAL 20 -0.305 -7.763 -0.939 168 HG21 VAL 20 HG21 VAL 20 -0.080 -4.222 0.491 169 HG22 VAL 20 HG22 VAL 20 -1.526 -5.293 0.545 170 HG23 VAL 20 HG23 VAL 20 0.096 -5.969 0.909 171 H THR 21 HN THR 21 2.013 -7.838 -2.198 172 HA THR 21 HA THR 21 2.396 -8.411 0.573 173 HB THR 21 HB THR 21 1.067 -9.711 -1.186 174 HG1 THR 21 HG1 THR 21 1.511 -11.644 -0.070 175 HG21 THR 21 HG21 THR 21 2.182 -11.558 -2.326 176 HG22 THR 21 HG22 THR 21 3.762 -11.193 -1.557 177 HG23 THR 21 HG23 THR 21 3.077 -10.062 -2.776 178 H LYS 22 HN LYS 22 4.608 -7.096 -1.076 179 HA LYS 22 HA LYS 22 6.747 -8.215 -1.865 180 HB2 LYS 22 HB1 LYS 22 6.977 -6.105 0.340 181 HB3 LYS 22 HB2 LYS 22 8.054 -6.295 -1.077 182 HG2 LYS 22 HG1 LYS 22 6.255 -5.456 -2.573 183 HG3 LYS 22 HG2 LYS 22 5.090 -5.445 -1.207 184 HD2 LYS 22 HD1 LYS 22 6.746 -3.906 0.058 185 HD3 LYS 22 HD2 LYS 22 7.639 -3.741 -1.477 186 HE2 LYS 22 HE1 LYS 22 6.099 -1.811 -1.056 187 HE3 LYS 22 HE2 LYS 22 5.617 -2.706 -2.554 188 HZ1 LYS 22 HZ1 LYS 22 3.894 -2.049 -0.778 189 HZ2 LYS 22 HZ2 LYS 22 4.366 -3.482 0.018 190 HZ3 LYS 22 HZ3 LYS 22 3.791 -3.519 -1.578 191 H LYS 23 HN LYS 23 6.101 -8.800 1.533 192 HA LYS 23 HA LYS 23 8.929 -9.529 2.034 193 HB2 LYS 23 HB1 LYS 23 7.786 -7.824 3.493 194 HB3 LYS 23 HB2 LYS 23 6.610 -9.060 4.013 195 HG2 LYS 23 HG1 LYS 23 9.544 -9.753 4.348 196 HG3 LYS 23 HG2 LYS 23 8.972 -8.360 5.314 197 HD2 LYS 23 HD1 LYS 23 7.215 -9.703 6.380 198 HD3 LYS 23 HD2 LYS 23 7.602 -11.112 5.338 199 HE2 LYS 23 HE1 LYS 23 9.911 -11.246 6.359 200 HE3 LYS 23 HE2 LYS 23 9.493 -9.870 7.458 201 HZ1 LYS 23 HZ1 LYS 23 9.177 -12.012 8.518 202 HZ2 LYS 23 HZ2 LYS 23 8.088 -12.495 7.312 203 HZ3 LYS 23 HZ3 LYS 23 7.691 -11.215 8.351 204 H SER 24 HN SER 24 6.115 -10.912 0.933 205 HA SER 24 HA SER 24 6.790 -13.568 2.026 206 HB2 SER 24 HB1 SER 24 4.544 -12.710 2.831 207 HB3 SER 24 HB2 SER 24 4.030 -12.556 1.118 208 HG SER 24 HG1 SER 24 3.416 -14.573 2.117 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 -13.833 -27.413 0.311 2 HA PHE 1 HA PHE 1 -13.508 -27.284 -2.518 3 HB2 PHE 1 HB1 PHE 1 -14.421 -24.910 -2.270 4 HB3 PHE 1 HB2 PHE 1 -15.475 -26.184 -1.583 5 HD1 PHE 1 HD1 PHE 1 -15.884 -26.355 0.782 6 HD2 PHE 1 HD2 PHE 1 -13.146 -23.407 -0.737 7 HE1 PHE 1 HE1 PHE 1 -15.876 -25.223 2.982 8 HE2 PHE 1 HE2 PHE 1 -13.139 -22.283 1.469 9 HZ PHE 1 HZ PHE 1 -14.501 -23.193 3.329 10 H LEU 2 HN LEU 2 -12.508 -24.769 -3.076 11 HA LEU 2 HA LEU 2 -9.873 -24.629 -1.829 12 HB2 LEU 2 HB1 LEU 2 -10.419 -24.525 -4.876 13 HB3 LEU 2 HB2 LEU 2 -8.872 -24.116 -4.075 14 HG LEU 2 HG LEU 2 -9.058 -26.616 -3.128 15 HD11 LEU 2 HD11 LEU 2 -9.943 -28.181 -4.900 16 HD12 LEU 2 HD12 LEU 2 -10.601 -26.776 -5.807 17 HD13 LEU 2 HD13 LEU 2 -11.271 -27.197 -4.188 18 HD21 LEU 2 HD21 LEU 2 -8.168 -25.915 -5.997 19 HD22 LEU 2 HD22 LEU 2 -7.632 -27.346 -5.043 20 HD23 LEU 2 HD23 LEU 2 -7.194 -25.688 -4.494 21 HA PRO 3 HA PRO 3 -11.482 -20.518 -1.575 22 HB2 PRO 3 HB1 PRO 3 -9.231 -18.848 -1.727 23 HB3 PRO 3 HB2 PRO 3 -9.646 -19.863 -0.293 24 HG2 PRO 3 HG1 PRO 3 -7.754 -20.597 -2.595 25 HG3 PRO 3 HG2 PRO 3 -7.413 -20.662 -0.815 26 HD2 PRO 3 HD1 PRO 3 -8.197 -22.901 -2.190 27 HD3 PRO 3 HD2 PRO 3 -8.898 -22.571 -0.540 28 H ILE 4 HN ILE 4 -12.796 -19.748 -3.094 29 HA ILE 4 HA ILE 4 -12.204 -19.801 -5.812 30 HB ILE 4 HB ILE 4 -14.388 -18.266 -4.335 31 HG12 ILE 4 HG11 ILE 4 -14.425 -21.072 -5.610 32 HG13 ILE 4 HG12 ILE 4 -14.289 -20.775 -3.853 33 HG21 ILE 4 HG21 ILE 4 -14.148 -19.145 -7.301 34 HG22 ILE 4 HG22 ILE 4 -15.600 -18.395 -6.550 35 HG23 ILE 4 HG23 ILE 4 -14.100 -17.442 -6.706 36 HD11 ILE 4 HD1 ILE 4 -16.618 -21.294 -4.365 37 HD12 ILE 4 HD2 ILE 4 -16.517 -19.562 -3.888 38 HD13 ILE 4 HD3 ILE 4 -16.700 -20.017 -5.623 39 H LEU 5 HN LEU 5 -12.282 -16.992 -3.564 40 HA LEU 5 HA LEU 5 -11.799 -15.038 -5.459 41 HB2 LEU 5 HB1 LEU 5 -11.021 -15.080 -2.475 42 HB3 LEU 5 HB2 LEU 5 -11.035 -13.633 -3.524 43 HG LEU 5 HG LEU 5 -12.938 -13.505 -2.191 44 HD11 LEU 5 HD11 LEU 5 -14.804 -13.393 -3.776 45 HD12 LEU 5 HD12 LEU 5 -13.970 -14.501 -4.920 46 HD13 LEU 5 HD13 LEU 5 -13.286 -12.863 -4.584 47 HD21 LEU 5 HD21 LEU 5 -13.143 -15.910 -1.471 48 HD22 LEU 5 HD22 LEU 5 -13.988 -16.268 -3.039 49 HD23 LEU 5 HD23 LEU 5 -14.702 -15.111 -1.874 50 H ALA 6 HN ALA 6 -9.382 -16.857 -3.503 51 HA ALA 6 HA ALA 6 -7.128 -15.522 -4.547 52 HB1 ALA 6 HB1 ALA 6 -7.428 -18.386 -3.439 53 HB2 ALA 6 HB2 ALA 6 -5.873 -17.491 -3.631 54 HB3 ALA 6 HB3 ALA 6 -7.102 -16.909 -2.457 55 H SER 7 HN SER 7 -8.818 -18.501 -5.636 56 HA SER 7 HA SER 7 -7.058 -19.098 -7.745 57 HB2 SER 7 HB1 SER 7 -8.795 -20.661 -6.769 58 HB3 SER 7 HB2 SER 7 -10.067 -19.715 -7.598 59 HG SER 7 HG1 SER 7 -9.387 -21.577 -8.745 60 H LEU 8 HN LEU 8 -10.059 -17.082 -7.762 61 HA LEU 8 HA LEU 8 -9.951 -16.470 -10.517 62 HB2 LEU 8 HB1 LEU 8 -11.918 -16.360 -8.956 63 HB3 LEU 8 HB2 LEU 8 -11.228 -14.912 -8.185 64 HG LEU 8 HG LEU 8 -11.821 -15.033 -11.203 65 HD11 LEU 8 HD11 LEU 8 -13.796 -14.274 -8.960 66 HD12 LEU 8 HD12 LEU 8 -13.891 -15.741 -10.009 67 HD13 LEU 8 HD13 LEU 8 -14.081 -14.101 -10.730 68 HD21 LEU 8 HD21 LEU 8 -12.218 -12.558 -10.924 69 HD22 LEU 8 HD22 LEU 8 -10.536 -13.004 -10.494 70 HD23 LEU 8 HD23 LEU 8 -11.747 -12.682 -9.192 71 H ALA 9 HN ALA 9 -8.807 -14.593 -7.630 72 HA ALA 9 HA ALA 9 -7.931 -12.382 -9.040 73 HB1 ALA 9 HB1 ALA 9 -6.976 -13.516 -6.347 74 HB2 ALA 9 HB2 ALA 9 -6.701 -11.822 -6.923 75 HB3 ALA 9 HB3 ALA 9 -8.371 -12.408 -6.592 76 H ALA 10 HN ALA 10 -6.085 -15.354 -8.191 77 HA ALA 10 HA ALA 10 -3.616 -14.346 -9.106 78 HB1 ALA 10 HB1 ALA 10 -3.850 -16.245 -7.506 79 HB2 ALA 10 HB2 ALA 10 -4.628 -17.234 -8.791 80 HB3 ALA 10 HB3 ALA 10 -2.895 -16.739 -8.950 81 H LYS 11 HN LYS 11 -6.356 -15.447 -10.946 82 HA LYS 11 HA LYS 11 -4.687 -15.836 -13.356 83 HB2 LYS 11 HB1 LYS 11 -7.707 -16.079 -12.868 84 HB3 LYS 11 HB2 LYS 11 -6.911 -16.355 -14.452 85 HG2 LYS 11 HG1 LYS 11 -5.716 -18.303 -13.616 86 HG3 LYS 11 HG2 LYS 11 -6.164 -17.912 -11.925 87 HD2 LYS 11 HD1 LYS 11 -8.628 -18.210 -12.583 88 HD3 LYS 11 HD2 LYS 11 -8.088 -18.780 -14.185 89 HE2 LYS 11 HE1 LYS 11 -8.680 -20.671 -12.613 90 HE3 LYS 11 HE2 LYS 11 -6.948 -20.753 -13.139 91 HZ1 LYS 11 HZ1 LYS 11 -7.825 -20.723 -10.532 92 HZ2 LYS 11 HZ2 LYS 11 -7.412 -19.140 -10.803 93 HZ3 LYS 11 HZ3 LYS 11 -6.251 -20.332 -11.066 94 H PHE 12 HN PHE 12 -7.474 -13.845 -12.220 95 HA PHE 12 HA PHE 12 -7.518 -12.204 -14.483 96 HB2 PHE 12 HB1 PHE 12 -9.430 -12.733 -12.886 97 HB3 PHE 12 HB2 PHE 12 -8.633 -11.716 -11.638 98 HD1 PHE 12 HD1 PHE 12 -9.270 -9.458 -11.532 99 HD2 PHE 12 HD2 PHE 12 -9.842 -11.584 -15.223 100 HE1 PHE 12 HE1 PHE 12 -10.441 -7.492 -12.486 101 HE2 PHE 12 HE2 PHE 12 -11.006 -9.620 -16.174 102 HZ PHE 12 HZ PHE 12 -11.308 -7.573 -14.809 103 H GLY 13 HN GLY 13 -5.950 -11.650 -11.280 104 HA2 GLY 13 HA1 GLY 13 -4.547 -9.359 -12.466 105 HA3 GLY 13 HA2 GLY 13 -5.618 -9.107 -11.048 106 HA PRO 14 HA PRO 14 -2.405 -11.748 -9.025 107 HB2 PRO 14 HB1 PRO 14 -0.168 -12.836 -10.372 108 HB3 PRO 14 HB2 PRO 14 -1.778 -13.639 -10.330 109 HG2 PRO 14 HG1 PRO 14 -0.713 -11.777 -12.529 110 HG3 PRO 14 HG2 PRO 14 -1.430 -13.440 -12.707 111 HD2 PRO 14 HD1 PRO 14 -3.022 -11.236 -13.067 112 HD3 PRO 14 HD2 PRO 14 -3.631 -12.655 -12.116 113 H LYS 15 HN LYS 15 -1.638 -9.280 -11.111 114 HA LYS 15 HA LYS 15 0.904 -8.406 -10.345 115 HB2 LYS 15 HB1 LYS 15 -1.407 -6.508 -10.992 116 HB3 LYS 15 HB2 LYS 15 0.311 -6.343 -11.440 117 HG2 LYS 15 HG1 LYS 15 -1.785 -8.288 -12.654 118 HG3 LYS 15 HG2 LYS 15 -1.244 -6.740 -13.334 119 HD2 LYS 15 HD1 LYS 15 1.070 -7.619 -13.623 120 HD3 LYS 15 HD2 LYS 15 0.547 -9.217 -12.979 121 HE2 LYS 15 HE1 LYS 15 -1.100 -9.461 -14.870 122 HE3 LYS 15 HE2 LYS 15 -0.643 -7.830 -15.493 123 HZ1 LYS 15 HZ1 LYS 15 1.176 -10.189 -15.292 124 HZ2 LYS 15 HZ2 LYS 15 1.590 -8.653 -15.884 125 HZ3 LYS 15 HZ3 LYS 15 0.445 -9.593 -16.695 126 H LEU 16 HN LEU 16 -2.313 -7.945 -8.824 127 HA LEU 16 HA LEU 16 -1.572 -5.855 -7.123 128 HB2 LEU 16 HB1 LEU 16 -3.695 -6.124 -6.027 129 HB3 LEU 16 HB2 LEU 16 -3.879 -6.333 -7.786 130 HG LEU 16 HG LEU 16 -3.655 -8.959 -7.137 131 HD11 LEU 16 HD11 LEU 16 -4.917 -9.448 -5.045 132 HD12 LEU 16 HD12 LEU 16 -4.983 -7.693 -4.646 133 HD13 LEU 16 HD13 LEU 16 -3.406 -8.564 -4.638 134 HD21 LEU 16 HD21 LEU 16 -5.520 -7.888 -8.387 135 HD22 LEU 16 HD22 LEU 16 -6.220 -7.274 -6.840 136 HD23 LEU 16 HD23 LEU 16 -6.138 -9.048 -7.157 137 H PHE 17 HN PHE 17 -1.377 -9.388 -6.589 138 HA PHE 17 HA PHE 17 -0.791 -9.258 -3.846 139 HB2 PHE 17 HB1 PHE 17 0.070 -11.328 -5.974 140 HB3 PHE 17 HB2 PHE 17 0.209 -11.576 -4.193 141 HD1 PHE 17 HD1 PHE 17 -1.816 -12.236 -6.956 142 HD2 PHE 17 HD2 PHE 17 -2.053 -11.028 -2.844 143 HE1 PHE 17 HE1 PHE 17 -4.151 -13.063 -6.850 144 HE2 PHE 17 HE2 PHE 17 -4.379 -11.862 -2.729 145 HZ PHE 17 HZ PHE 17 -5.432 -12.882 -4.725 146 H SER 18 HN SER 18 1.435 -9.322 -6.680 147 HA SER 18 HA SER 18 3.810 -9.138 -5.265 148 HB2 SER 18 HB1 SER 18 3.191 -7.931 -8.024 149 HB3 SER 18 HB2 SER 18 4.829 -8.318 -7.363 150 HG SER 18 HG1 SER 18 4.144 -10.022 -8.652 151 H LEU 19 HN LEU 19 1.646 -6.499 -6.389 152 HA LEU 19 HA LEU 19 3.339 -4.399 -5.562 153 HB2 LEU 19 HB1 LEU 19 0.299 -4.555 -5.897 154 HB3 LEU 19 HB2 LEU 19 1.167 -3.025 -5.554 155 HG LEU 19 HG LEU 19 1.700 -4.775 -8.020 156 HD11 LEU 19 HD11 LEU 19 0.387 -3.075 -9.284 157 HD12 LEU 19 HD12 LEU 19 -0.021 -2.229 -7.744 158 HD13 LEU 19 HD13 LEU 19 -0.631 -3.900 -8.046 159 HD21 LEU 19 HD21 LEU 19 2.543 -1.886 -7.326 160 HD22 LEU 19 HD22 LEU 19 2.808 -2.707 -8.907 161 HD23 LEU 19 HD23 LEU 19 3.639 -3.318 -7.434 162 H VAL 20 HN VAL 20 0.739 -6.117 -3.700 163 HA VAL 20 HA VAL 20 1.278 -4.342 -1.475 164 HB VAL 20 HB VAL 20 -0.979 -4.925 -2.033 165 HG11 VAL 20 HG11 VAL 20 -0.440 -7.725 -0.848 166 HG12 VAL 20 HG12 VAL 20 -1.984 -7.061 -1.472 167 HG13 VAL 20 HG13 VAL 20 -0.633 -7.384 -2.614 168 HG21 VAL 20 HG21 VAL 20 -1.701 -5.191 0.325 169 HG22 VAL 20 HG22 VAL 20 -0.071 -5.775 0.803 170 HG23 VAL 20 HG23 VAL 20 -0.292 -4.078 0.226 171 H THR 21 HN THR 21 1.754 -7.955 -1.882 172 HA THR 21 HA THR 21 2.948 -7.865 0.804 173 HB THR 21 HB THR 21 0.978 -9.189 0.674 174 HG1 THR 21 HG1 THR 21 1.875 -10.965 1.678 175 HG21 THR 21 HG21 THR 21 1.117 -10.118 -1.636 176 HG22 THR 21 HG22 THR 21 0.994 -11.433 -0.421 177 HG23 THR 21 HG23 THR 21 2.577 -11.075 -1.189 178 H LYS 22 HN LYS 22 4.627 -6.823 -0.595 179 HA LYS 22 HA LYS 22 6.388 -8.231 -2.195 180 HB2 LYS 22 HB1 LYS 22 6.852 -5.828 -0.340 181 HB3 LYS 22 HB2 LYS 22 7.937 -6.281 -1.691 182 HG2 LYS 22 HG1 LYS 22 6.310 -5.796 -3.363 183 HG3 LYS 22 HG2 LYS 22 4.960 -5.652 -2.224 184 HD2 LYS 22 HD1 LYS 22 7.412 -3.781 -2.279 185 HD3 LYS 22 HD2 LYS 22 5.875 -3.450 -3.125 186 HE2 LYS 22 HE1 LYS 22 6.170 -3.732 -0.042 187 HE3 LYS 22 HE2 LYS 22 6.045 -2.196 -0.979 188 HZ1 LYS 22 HZ1 LYS 22 3.931 -4.118 -0.326 189 HZ2 LYS 22 HZ2 LYS 22 3.915 -3.512 -1.884 190 HZ3 LYS 22 HZ3 LYS 22 3.905 -2.438 -0.607 191 H LYS 23 HN LYS 23 6.208 -8.276 1.292 192 HA LYS 23 HA LYS 23 8.836 -9.245 1.826 193 HB2 LYS 23 HB1 LYS 23 6.922 -8.256 3.384 194 HB3 LYS 23 HB2 LYS 23 6.330 -9.929 3.475 195 HG2 LYS 23 HG1 LYS 23 9.066 -8.777 4.344 196 HG3 LYS 23 HG2 LYS 23 7.733 -9.215 5.434 197 HD2 LYS 23 HD1 LYS 23 9.545 -11.088 3.793 198 HD3 LYS 23 HD2 LYS 23 9.574 -10.857 5.550 199 HE2 LYS 23 HE1 LYS 23 7.279 -12.194 3.936 200 HE3 LYS 23 HE2 LYS 23 8.542 -13.041 4.902 201 HZ1 LYS 23 HZ1 LYS 23 6.562 -11.096 5.968 202 HZ2 LYS 23 HZ2 LYS 23 7.709 -11.961 6.874 203 HZ3 LYS 23 HZ3 LYS 23 6.455 -12.787 6.078 204 H SER 24 HN SER 24 5.760 -10.796 0.880 205 HA SER 24 HA SER 24 6.988 -13.472 1.223 206 HB2 SER 24 HB1 SER 24 4.029 -12.655 1.200 207 HB3 SER 24 HB2 SER 24 4.654 -14.337 1.364 208 HG SER 24 HG1 SER 24 4.149 -13.459 3.360 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 -14.542 -27.748 -0.329 2 HA PHE 1 HA PHE 1 -13.266 -27.463 -2.643 3 HB2 PHE 1 HB1 PHE 1 -15.030 -25.319 -1.292 4 HB3 PHE 1 HB2 PHE 1 -14.692 -25.407 -3.069 5 HD1 PHE 1 HD1 PHE 1 -15.225 -27.620 -4.272 6 HD2 PHE 1 HD2 PHE 1 -16.842 -26.584 -0.426 7 HE1 PHE 1 HE1 PHE 1 -16.991 -29.334 -4.552 8 HE2 PHE 1 HE2 PHE 1 -18.620 -28.279 -0.720 9 HZ PHE 1 HZ PHE 1 -18.692 -29.661 -2.778 10 H LEU 2 HN LEU 2 -12.906 -24.498 -3.040 11 HA LEU 2 HA LEU 2 -10.447 -24.039 -1.554 12 HB2 LEU 2 HB1 LEU 2 -10.600 -24.142 -4.648 13 HB3 LEU 2 HB2 LEU 2 -9.237 -23.477 -3.701 14 HG LEU 2 HG LEU 2 -9.245 -25.948 -2.618 15 HD11 LEU 2 HD11 LEU 2 -10.224 -26.409 -5.519 16 HD12 LEU 2 HD12 LEU 2 -11.155 -26.832 -4.037 17 HD13 LEU 2 HD13 LEU 2 -9.606 -27.677 -4.404 18 HD21 LEU 2 HD21 LEU 2 -7.969 -25.196 -5.323 19 HD22 LEU 2 HD22 LEU 2 -7.420 -26.515 -4.227 20 HD23 LEU 2 HD23 LEU 2 -7.314 -24.800 -3.689 21 HA PRO 3 HA PRO 3 -12.346 -20.036 -1.861 22 HB2 PRO 3 HB1 PRO 3 -10.170 -18.258 -1.810 23 HB3 PRO 3 HB2 PRO 3 -10.781 -19.164 -0.373 24 HG2 PRO 3 HG1 PRO 3 -8.497 -19.991 -2.250 25 HG3 PRO 3 HG2 PRO 3 -8.465 -19.885 -0.439 26 HD2 PRO 3 HD1 PRO 3 -8.909 -22.266 -1.716 27 HD3 PRO 3 HD2 PRO 3 -9.896 -21.843 -0.244 28 H ILE 4 HN ILE 4 -13.426 -19.435 -3.614 29 HA ILE 4 HA ILE 4 -12.448 -19.603 -6.210 30 HB ILE 4 HB ILE 4 -14.830 -18.022 -5.140 31 HG12 ILE 4 HG11 ILE 4 -14.671 -20.889 -6.261 32 HG13 ILE 4 HG12 ILE 4 -14.791 -20.502 -4.521 33 HG21 ILE 4 HG21 ILE 4 -14.166 -19.046 -7.993 34 HG22 ILE 4 HG22 ILE 4 -15.712 -18.276 -7.495 35 HG23 ILE 4 HG23 ILE 4 -14.210 -17.315 -7.484 36 HD11 ILE 4 HD1 ILE 4 -16.925 -19.864 -6.657 37 HD12 ILE 4 HD2 ILE 4 -17.020 -21.075 -5.336 38 HD13 ILE 4 HD3 ILE 4 -16.997 -19.319 -4.940 39 H LEU 5 HN LEU 5 -12.831 -16.709 -4.116 40 HA LEU 5 HA LEU 5 -12.105 -14.810 -5.987 41 HB2 LEU 5 HB1 LEU 5 -11.694 -14.777 -2.930 42 HB3 LEU 5 HB2 LEU 5 -11.574 -13.357 -4.009 43 HG LEU 5 HG LEU 5 -13.623 -13.192 -2.917 44 HD11 LEU 5 HD11 LEU 5 -13.678 -12.609 -5.350 45 HD12 LEU 5 HD12 LEU 5 -15.285 -13.116 -4.718 46 HD13 LEU 5 HD13 LEU 5 -14.325 -14.254 -5.725 47 HD21 LEU 5 HD21 LEU 5 -15.420 -14.786 -2.774 48 HD22 LEU 5 HD22 LEU 5 -13.924 -15.577 -2.168 49 HD23 LEU 5 HD23 LEU 5 -14.578 -15.972 -3.817 50 H ALA 6 HN ALA 6 -9.957 -16.597 -3.713 51 HA ALA 6 HA ALA 6 -7.580 -15.301 -4.507 52 HB1 ALA 6 HB1 ALA 6 -8.036 -18.134 -3.383 53 HB2 ALA 6 HB2 ALA 6 -6.462 -17.251 -3.403 54 HB3 ALA 6 HB3 ALA 6 -7.819 -16.638 -2.398 55 H SER 7 HN SER 7 -9.171 -18.279 -5.732 56 HA SER 7 HA SER 7 -7.183 -18.948 -7.604 57 HB2 SER 7 HB1 SER 7 -9.052 -20.461 -6.827 58 HB3 SER 7 HB2 SER 7 -10.199 -19.506 -7.814 59 HG SER 7 HG1 SER 7 -9.413 -21.405 -8.839 60 H LEU 8 HN LEU 8 -10.110 -16.872 -8.026 61 HA LEU 8 HA LEU 8 -9.645 -16.292 -10.752 62 HB2 LEU 8 HB1 LEU 8 -11.778 -16.108 -9.406 63 HB3 LEU 8 HB2 LEU 8 -11.140 -14.643 -8.621 64 HG LEU 8 HG LEU 8 -11.465 -14.915 -11.676 65 HD11 LEU 8 HD11 LEU 8 -13.652 -15.421 -10.596 66 HD12 LEU 8 HD12 LEU 8 -13.693 -13.831 -11.437 67 HD13 LEU 8 HD13 LEU 8 -13.545 -13.891 -9.643 68 HD21 LEU 8 HD21 LEU 8 -11.372 -12.442 -9.820 69 HD22 LEU 8 HD22 LEU 8 -11.748 -12.405 -11.579 70 HD23 LEU 8 HD23 LEU 8 -10.118 -12.916 -11.034 71 H ALA 9 HN ALA 9 -8.811 -14.447 -7.754 72 HA ALA 9 HA ALA 9 -7.654 -12.276 -9.009 73 HB1 ALA 9 HB1 ALA 9 -6.681 -11.788 -6.752 74 HB2 ALA 9 HB2 ALA 9 -8.403 -12.299 -6.634 75 HB3 ALA 9 HB3 ALA 9 -7.098 -13.469 -6.232 76 H ALA 10 HN ALA 10 -6.073 -15.340 -7.953 77 HA ALA 10 HA ALA 10 -3.469 -14.470 -8.555 78 HB1 ALA 10 HB1 ALA 10 -2.904 -16.903 -8.362 79 HB2 ALA 10 HB2 ALA 10 -4.003 -16.376 -7.037 80 HB3 ALA 10 HB3 ALA 10 -4.668 -17.301 -8.429 81 H LYS 11 HN LYS 11 -6.005 -15.363 -10.758 82 HA LYS 11 HA LYS 11 -4.056 -15.868 -12.926 83 HB2 LYS 11 HB1 LYS 11 -7.122 -15.950 -12.833 84 HB3 LYS 11 HB2 LYS 11 -6.145 -16.281 -14.303 85 HG2 LYS 11 HG1 LYS 11 -5.174 -18.280 -13.320 86 HG3 LYS 11 HG2 LYS 11 -5.796 -17.847 -11.695 87 HD2 LYS 11 HD1 LYS 11 -8.176 -18.034 -12.621 88 HD3 LYS 11 HD2 LYS 11 -7.494 -18.631 -14.158 89 HE2 LYS 11 HE1 LYS 11 -8.349 -20.485 -12.665 90 HE3 LYS 11 HE2 LYS 11 -6.579 -20.660 -13.011 91 HZ1 LYS 11 HZ1 LYS 11 -7.696 -20.612 -10.511 92 HZ2 LYS 11 HZ2 LYS 11 -7.217 -19.036 -10.714 93 HZ3 LYS 11 HZ3 LYS 11 -6.069 -20.256 -10.879 94 H PHE 12 HN PHE 12 -6.918 -13.730 -12.297 95 HA PHE 12 HA PHE 12 -6.349 -12.087 -14.517 96 HB2 PHE 12 HB1 PHE 12 -8.626 -12.472 -13.475 97 HB3 PHE 12 HB2 PHE 12 -8.104 -11.545 -12.028 98 HD1 PHE 12 HD1 PHE 12 -8.501 -9.221 -12.013 99 HD2 PHE 12 HD2 PHE 12 -8.408 -11.276 -15.788 100 HE1 PHE 12 HE1 PHE 12 -9.214 -7.144 -13.165 101 HE2 PHE 12 HE2 PHE 12 -9.117 -9.201 -16.934 102 HZ PHE 12 HZ PHE 12 -9.518 -7.135 -15.627 103 H GLY 13 HN GLY 13 -5.571 -11.714 -11.045 104 HA2 GLY 13 HA1 GLY 13 -4.247 -9.133 -11.624 105 HA3 GLY 13 HA2 GLY 13 -5.367 -9.438 -10.274 106 HA PRO 14 HA PRO 14 -2.024 -11.614 -8.199 107 HB2 PRO 14 HB1 PRO 14 0.225 -12.841 -9.376 108 HB3 PRO 14 HB2 PRO 14 -1.390 -13.638 -9.298 109 HG2 PRO 14 HG1 PRO 14 -0.259 -12.005 -11.641 110 HG3 PRO 14 HG2 PRO 14 -0.968 -13.675 -11.674 111 HD2 PRO 14 HD1 PRO 14 -2.558 -11.535 -12.292 112 HD3 PRO 14 HD2 PRO 14 -3.189 -12.846 -11.213 113 H LYS 15 HN LYS 15 -1.132 -9.563 -10.679 114 HA LYS 15 HA LYS 15 1.221 -8.315 -9.888 115 HB2 LYS 15 HB1 LYS 15 -1.374 -7.267 -11.176 116 HB3 LYS 15 HB2 LYS 15 0.161 -6.349 -11.183 117 HG2 LYS 15 HG1 LYS 15 1.178 -7.683 -12.760 118 HG3 LYS 15 HG2 LYS 15 0.313 -9.169 -12.320 119 HD2 LYS 15 HD1 LYS 15 -1.007 -6.819 -13.826 120 HD3 LYS 15 HD2 LYS 15 -0.213 -8.225 -14.609 121 HE2 LYS 15 HE1 LYS 15 -1.802 -9.791 -13.383 122 HE3 LYS 15 HE2 LYS 15 -2.678 -8.340 -12.754 123 HZ1 LYS 15 HZ1 LYS 15 -2.409 -9.174 -15.610 124 HZ2 LYS 15 HZ2 LYS 15 -3.155 -7.739 -15.086 125 HZ3 LYS 15 HZ3 LYS 15 -3.771 -9.240 -14.616 126 H LEU 16 HN LEU 16 -2.147 -7.843 -8.617 127 HA LEU 16 HA LEU 16 -1.408 -5.594 -7.041 128 HB2 LEU 16 HB1 LEU 16 -3.584 -5.574 -6.139 129 HB3 LEU 16 HB2 LEU 16 -3.717 -6.022 -7.858 130 HG LEU 16 HG LEU 16 -3.696 -8.537 -6.778 131 HD11 LEU 16 HD11 LEU 16 -5.102 -8.579 -4.723 132 HD12 LEU 16 HD12 LEU 16 -5.062 -6.781 -4.631 133 HD13 LEU 16 HD13 LEU 16 -3.551 -7.732 -4.385 134 HD21 LEU 16 HD21 LEU 16 -6.175 -8.485 -6.956 135 HD22 LEU 16 HD22 LEU 16 -5.406 -7.597 -8.323 136 HD23 LEU 16 HD23 LEU 16 -6.152 -6.681 -6.955 137 H PHE 17 HN PHE 17 -1.454 -9.109 -6.381 138 HA PHE 17 HA PHE 17 -1.005 -8.892 -3.606 139 HB2 PHE 17 HB1 PHE 17 -0.203 -11.132 -5.572 140 HB3 PHE 17 HB2 PHE 17 -0.153 -11.278 -3.777 141 HD1 PHE 17 HD1 PHE 17 -1.851 -12.621 -6.214 142 HD2 PHE 17 HD2 PHE 17 -2.685 -10.039 -2.877 143 HE1 PHE 17 HE1 PHE 17 -4.181 -13.456 -6.143 144 HE2 PHE 17 HE2 PHE 17 -4.998 -10.873 -2.809 145 HZ PHE 17 HZ PHE 17 -5.756 -12.586 -4.428 146 H SER 18 HN SER 18 1.351 -9.223 -6.329 147 HA SER 18 HA SER 18 3.649 -9.176 -4.814 148 HB2 SER 18 HB1 SER 18 3.243 -7.892 -7.578 149 HB3 SER 18 HB2 SER 18 4.822 -8.379 -6.848 150 HG SER 18 HG1 SER 18 4.076 -10.012 -8.214 151 H LEU 19 HN LEU 19 1.730 -6.360 -5.952 152 HA LEU 19 HA LEU 19 3.544 -4.412 -4.995 153 HB2 LEU 19 HB1 LEU 19 0.512 -4.320 -5.426 154 HB3 LEU 19 HB2 LEU 19 1.501 -2.877 -5.024 155 HG LEU 19 HG LEU 19 1.934 -4.599 -7.527 156 HD11 LEU 19 HD11 LEU 19 -0.314 -3.528 -7.562 157 HD12 LEU 19 HD12 LEU 19 0.792 -2.762 -8.761 158 HD13 LEU 19 HD13 LEU 19 0.431 -1.923 -7.206 159 HD21 LEU 19 HD21 LEU 19 3.002 -1.810 -6.738 160 HD22 LEU 19 HD22 LEU 19 3.236 -2.619 -8.331 161 HD23 LEU 19 HD23 LEU 19 3.975 -3.329 -6.855 162 H VAL 20 HN VAL 20 0.750 -5.999 -3.292 163 HA VAL 20 HA VAL 20 1.295 -4.317 -0.997 164 HB VAL 20 HB VAL 20 -0.961 -4.747 -1.612 165 HG11 VAL 20 HG11 VAL 20 -0.767 -7.133 -2.389 166 HG12 VAL 20 HG12 VAL 20 -0.546 -7.662 -0.672 167 HG13 VAL 20 HG13 VAL 20 -2.080 -6.884 -1.186 168 HG21 VAL 20 HG21 VAL 20 -0.300 -4.106 0.725 169 HG22 VAL 20 HG22 VAL 20 -1.777 -5.133 0.692 170 HG23 VAL 20 HG23 VAL 20 -0.203 -5.850 1.178 171 H THR 21 HN THR 21 1.696 -7.897 -1.560 172 HA THR 21 HA THR 21 2.881 -8.017 1.132 173 HB THR 21 HB THR 21 0.925 -9.325 0.978 174 HG1 THR 21 HG1 THR 21 1.761 -11.160 1.773 175 HG21 THR 21 HG21 THR 21 0.829 -9.969 -1.395 176 HG22 THR 21 HG22 THR 21 0.861 -11.449 -0.383 177 HG23 THR 21 HG23 THR 21 2.348 -10.932 -1.249 178 H LYS 22 HN LYS 22 4.610 -6.901 -0.037 179 HA LYS 22 HA LYS 22 6.275 -8.016 -1.917 180 HB2 LYS 22 HB1 LYS 22 7.059 -6.201 0.441 181 HB3 LYS 22 HB2 LYS 22 7.934 -6.313 -1.118 182 HG2 LYS 22 HG1 LYS 22 6.142 -5.179 -2.301 183 HG3 LYS 22 HG2 LYS 22 5.004 -5.365 -0.938 184 HD2 LYS 22 HD1 LYS 22 6.586 -3.977 0.522 185 HD3 LYS 22 HD2 LYS 22 7.571 -3.665 -0.932 186 HE2 LYS 22 HE1 LYS 22 6.046 -1.754 -0.406 187 HE3 LYS 22 HE2 LYS 22 5.647 -2.476 -2.014 188 HZ1 LYS 22 HZ1 LYS 22 3.783 -1.957 -0.437 189 HZ2 LYS 22 HZ2 LYS 22 4.205 -3.350 0.449 190 HZ3 LYS 22 HZ3 LYS 22 3.773 -3.451 -1.189 191 H LYS 23 HN LYS 23 6.342 -8.523 1.588 192 HA LYS 23 HA LYS 23 8.208 -10.758 1.126 193 HB2 LYS 23 HB1 LYS 23 9.475 -8.919 2.353 194 HB3 LYS 23 HB2 LYS 23 8.200 -8.904 3.592 195 HG2 LYS 23 HG1 LYS 23 9.011 -11.662 3.480 196 HG3 LYS 23 HG2 LYS 23 10.501 -10.755 3.160 197 HD2 LYS 23 HD1 LYS 23 10.745 -10.564 5.376 198 HD3 LYS 23 HD2 LYS 23 9.453 -9.343 5.372 199 HE2 LYS 23 HE1 LYS 23 9.095 -12.404 5.794 200 HE3 LYS 23 HE2 LYS 23 9.157 -11.183 7.121 201 HZ1 LYS 23 HZ1 LYS 23 7.184 -10.648 5.047 202 HZ2 LYS 23 HZ2 LYS 23 7.033 -10.598 6.735 203 HZ3 LYS 23 HZ3 LYS 23 6.929 -12.055 5.866 204 H SER 24 HN SER 24 6.470 -12.267 1.092 205 HA SER 24 HA SER 24 4.380 -12.031 2.997 206 HB2 SER 24 HB1 SER 24 4.920 -14.500 1.283 207 HB3 SER 24 HB2 SER 24 3.344 -13.904 1.919 208 HG SER 24 HG1 SER 24 3.776 -12.003 0.505 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 -14.035 -27.890 0.225 2 HA PHE 1 HA PHE 1 -13.111 -27.680 -2.293 3 HB2 PHE 1 HB1 PHE 1 -14.442 -25.460 -0.613 4 HB3 PHE 1 HB2 PHE 1 -14.357 -25.469 -2.422 5 HD1 PHE 1 HD1 PHE 1 -15.232 -27.573 -3.638 6 HD2 PHE 1 HD2 PHE 1 -16.264 -26.577 0.416 7 HE1 PHE 1 HE1 PHE 1 -17.196 -29.075 -3.768 8 HE2 PHE 1 HE2 PHE 1 -18.230 -28.074 0.279 9 HZ PHE 1 HZ PHE 1 -18.695 -29.328 -1.808 10 H LEU 2 HN LEU 2 -12.544 -24.745 -2.613 11 HA LEU 2 HA LEU 2 -9.815 -24.600 -1.629 12 HB2 LEU 2 HB1 LEU 2 -10.579 -24.572 -4.634 13 HB3 LEU 2 HB2 LEU 2 -8.989 -24.102 -3.974 14 HG LEU 2 HG LEU 2 -9.115 -26.610 -2.933 15 HD11 LEU 2 HD11 LEU 2 -9.975 -28.187 -4.691 16 HD12 LEU 2 HD12 LEU 2 -10.599 -26.794 -5.641 17 HD13 LEU 2 HD13 LEU 2 -11.324 -27.185 -4.039 18 HD21 LEU 2 HD21 LEU 2 -7.658 -27.303 -4.843 19 HD22 LEU 2 HD22 LEU 2 -7.256 -25.641 -4.275 20 HD23 LEU 2 HD23 LEU 2 -8.210 -25.872 -5.787 21 HA PRO 3 HA PRO 3 -11.357 -20.521 -1.605 22 HB2 PRO 3 HB1 PRO 3 -9.140 -18.866 -1.510 23 HB3 PRO 3 HB2 PRO 3 -9.537 -20.055 -0.212 24 HG2 PRO 3 HG1 PRO 3 -7.600 -20.454 -2.560 25 HG3 PRO 3 HG2 PRO 3 -7.278 -20.725 -0.796 26 HD2 PRO 3 HD1 PRO 3 -8.007 -22.796 -2.462 27 HD3 PRO 3 HD2 PRO 3 -8.687 -22.690 -0.773 28 H ILE 4 HN ILE 4 -12.565 -20.143 -3.397 29 HA ILE 4 HA ILE 4 -11.701 -19.920 -5.988 30 HB ILE 4 HB ILE 4 -14.208 -18.716 -4.732 31 HG12 ILE 4 HG11 ILE 4 -13.740 -21.480 -6.013 32 HG13 ILE 4 HG12 ILE 4 -13.856 -21.195 -4.251 33 HG21 ILE 4 HG21 ILE 4 -13.547 -19.496 -7.661 34 HG22 ILE 4 HG22 ILE 4 -15.156 -18.955 -7.067 35 HG23 ILE 4 HG23 ILE 4 -13.783 -17.815 -7.052 36 HD11 ILE 4 HD1 ILE 4 -16.018 -22.006 -5.034 37 HD12 ILE 4 HD2 ILE 4 -16.201 -20.280 -4.557 38 HD13 ILE 4 HD3 ILE 4 -16.116 -20.735 -6.299 39 H LEU 5 HN LEU 5 -12.300 -17.201 -3.698 40 HA LEU 5 HA LEU 5 -11.879 -15.147 -5.512 41 HB2 LEU 5 HB1 LEU 5 -11.321 -15.211 -2.481 42 HB3 LEU 5 HB2 LEU 5 -11.387 -13.737 -3.491 43 HG LEU 5 HG LEU 5 -13.389 -13.822 -2.303 44 HD11 LEU 5 HD11 LEU 5 -14.116 -14.805 -5.132 45 HD12 LEU 5 HD12 LEU 5 -13.607 -13.128 -4.698 46 HD13 LEU 5 HD13 LEU 5 -15.132 -13.814 -4.029 47 HD21 LEU 5 HD21 LEU 5 -15.023 -15.588 -2.175 48 HD22 LEU 5 HD22 LEU 5 -13.432 -16.260 -1.673 49 HD23 LEU 5 HD23 LEU 5 -14.118 -16.634 -3.312 50 H ALA 6 HN ALA 6 -9.445 -16.871 -3.510 51 HA ALA 6 HA ALA 6 -7.262 -15.239 -4.277 52 HB1 ALA 6 HB1 ALA 6 -7.248 -16.723 -2.258 53 HB2 ALA 6 HB2 ALA 6 -7.362 -18.170 -3.326 54 HB3 ALA 6 HB3 ALA 6 -5.888 -17.129 -3.363 55 H SER 7 HN SER 7 -8.568 -18.289 -5.633 56 HA SER 7 HA SER 7 -6.624 -18.580 -7.669 57 HB2 SER 7 HB1 SER 7 -8.222 -20.389 -6.841 58 HB3 SER 7 HB2 SER 7 -9.548 -19.539 -7.693 59 HG SER 7 HG1 SER 7 -7.226 -20.764 -8.824 60 H LEU 8 HN LEU 8 -9.853 -16.990 -7.739 61 HA LEU 8 HA LEU 8 -9.789 -16.205 -10.417 62 HB2 LEU 8 HB1 LEU 8 -11.747 -16.322 -8.846 63 HB3 LEU 8 HB2 LEU 8 -11.174 -14.856 -8.013 64 HG LEU 8 HG LEU 8 -11.795 -14.895 -11.028 65 HD11 LEU 8 HD11 LEU 8 -13.780 -15.822 -9.839 66 HD12 LEU 8 HD12 LEU 8 -14.120 -14.175 -10.488 67 HD13 LEU 8 HD13 LEU 8 -13.791 -14.397 -8.730 68 HD21 LEU 8 HD21 LEU 8 -12.395 -12.472 -10.632 69 HD22 LEU 8 HD22 LEU 8 -10.674 -12.800 -10.256 70 HD23 LEU 8 HD23 LEU 8 -11.873 -12.635 -8.916 71 H ALA 9 HN ALA 9 -8.743 -14.377 -7.469 72 HA ALA 9 HA ALA 9 -7.865 -12.102 -8.816 73 HB1 ALA 9 HB1 ALA 9 -8.295 -12.215 -6.363 74 HB2 ALA 9 HB2 ALA 9 -6.920 -13.356 -6.171 75 HB3 ALA 9 HB3 ALA 9 -6.614 -11.647 -6.680 76 H ALA 10 HN ALA 10 -6.080 -15.127 -8.053 77 HA ALA 10 HA ALA 10 -3.582 -14.292 -8.960 78 HB1 ALA 10 HB1 ALA 10 -3.077 -16.742 -9.071 79 HB2 ALA 10 HB2 ALA 10 -3.985 -16.330 -7.569 80 HB3 ALA 10 HB3 ALA 10 -4.844 -17.098 -8.950 81 H LYS 11 HN LYS 11 -6.269 -15.810 -10.881 82 HA LYS 11 HA LYS 11 -4.710 -15.591 -13.305 83 HB2 LYS 11 HB1 LYS 11 -7.709 -16.012 -12.847 84 HB3 LYS 11 HB2 LYS 11 -6.959 -15.862 -14.464 85 HG2 LYS 11 HG1 LYS 11 -5.346 -17.817 -13.619 86 HG3 LYS 11 HG2 LYS 11 -6.633 -18.090 -12.410 87 HD2 LYS 11 HD1 LYS 11 -7.092 -19.564 -14.255 88 HD3 LYS 11 HD2 LYS 11 -8.306 -18.243 -14.353 89 HE2 LYS 11 HE1 LYS 11 -6.898 -17.131 -16.178 90 HE3 LYS 11 HE2 LYS 11 -5.705 -18.479 -16.046 91 HZ1 LYS 11 HZ1 LYS 11 -7.243 -18.788 -17.865 92 HZ2 LYS 11 HZ2 LYS 11 -8.574 -18.740 -16.821 93 HZ3 LYS 11 HZ3 LYS 11 -7.454 -20.010 -16.711 94 H PHE 12 HN PHE 12 -7.308 -13.539 -11.868 95 HA PHE 12 HA PHE 12 -7.517 -11.876 -14.114 96 HB2 PHE 12 HB1 PHE 12 -9.289 -12.299 -12.344 97 HB3 PHE 12 HB2 PHE 12 -8.312 -11.349 -11.175 98 HD1 PHE 12 HD1 PHE 12 -8.817 -9.068 -10.979 99 HD2 PHE 12 HD2 PHE 12 -9.833 -11.085 -14.634 100 HE1 PHE 12 HE1 PHE 12 -9.950 -7.019 -11.796 101 HE2 PHE 12 HE2 PHE 12 -10.959 -9.038 -15.451 102 HZ PHE 12 HZ PHE 12 -11.020 -7.004 -14.034 103 H GLY 13 HN GLY 13 -5.592 -11.424 -11.096 104 HA2 GLY 13 HA1 GLY 13 -4.102 -9.315 -12.456 105 HA3 GLY 13 HA2 GLY 13 -5.154 -8.825 -11.087 106 HA PRO 14 HA PRO 14 -2.018 -11.565 -8.949 107 HB2 PRO 14 HB1 PRO 14 0.230 -12.610 -10.273 108 HB3 PRO 14 HB2 PRO 14 -1.392 -13.393 -10.334 109 HG2 PRO 14 HG1 PRO 14 -0.241 -11.446 -12.416 110 HG3 PRO 14 HG2 PRO 14 -0.952 -13.096 -12.683 111 HD2 PRO 14 HD1 PRO 14 -2.489 -10.842 -12.985 112 HD3 PRO 14 HD2 PRO 14 -3.176 -12.321 -12.195 113 H LYS 15 HN LYS 15 -1.298 -8.954 -10.936 114 HA LYS 15 HA LYS 15 1.119 -8.142 -9.595 115 HB2 LYS 15 HB1 LYS 15 -0.780 -6.575 -11.397 116 HB3 LYS 15 HB2 LYS 15 0.765 -5.956 -10.746 117 HG2 LYS 15 HG1 LYS 15 0.427 -8.291 -12.740 118 HG3 LYS 15 HG2 LYS 15 1.050 -6.651 -13.047 119 HD2 LYS 15 HD1 LYS 15 3.108 -7.549 -12.784 120 HD3 LYS 15 HD2 LYS 15 2.769 -7.405 -11.035 121 HE2 LYS 15 HE1 LYS 15 1.772 -9.886 -11.288 122 HE3 LYS 15 HE2 LYS 15 2.625 -9.893 -12.878 123 HZ1 LYS 15 HZ1 LYS 15 3.754 -9.586 -10.151 124 HZ2 LYS 15 HZ2 LYS 15 4.664 -9.244 -11.545 125 HZ3 LYS 15 HZ3 LYS 15 4.063 -10.809 -11.267 126 H LEU 16 HN LEU 16 -2.347 -7.873 -8.748 127 HA LEU 16 HA LEU 16 -1.940 -5.711 -6.972 128 HB2 LEU 16 HB1 LEU 16 -4.092 -6.141 -6.058 129 HB3 LEU 16 HB2 LEU 16 -4.150 -6.409 -7.817 130 HG LEU 16 HG LEU 16 -3.771 -8.995 -7.071 131 HD11 LEU 16 HD11 LEU 16 -5.343 -7.769 -4.706 132 HD12 LEU 16 HD12 LEU 16 -3.702 -8.501 -4.572 133 HD13 LEU 16 HD13 LEU 16 -5.107 -9.522 -5.039 134 HD21 LEU 16 HD21 LEU 16 -6.232 -9.274 -7.235 135 HD22 LEU 16 HD22 LEU 16 -5.628 -8.107 -8.464 136 HD23 LEU 16 HD23 LEU 16 -6.467 -7.503 -6.983 137 H PHE 17 HN PHE 17 -1.729 -9.253 -6.449 138 HA PHE 17 HA PHE 17 -0.848 -9.153 -3.794 139 HB2 PHE 17 HB1 PHE 17 -0.166 -11.182 -6.026 140 HB3 PHE 17 HB2 PHE 17 0.133 -11.450 -4.266 141 HD1 PHE 17 HD1 PHE 17 -2.041 -12.311 -6.794 142 HD2 PHE 17 HD2 PHE 17 -2.086 -10.807 -2.764 143 HE1 PHE 17 HE1 PHE 17 -4.303 -13.250 -6.463 144 HE2 PHE 17 HE2 PHE 17 -4.352 -11.733 -2.446 145 HZ PHE 17 HZ PHE 17 -5.464 -12.960 -4.290 146 H SER 18 HN SER 18 0.966 -8.937 -6.830 147 HA SER 18 HA SER 18 3.571 -9.017 -5.743 148 HB2 SER 18 HB1 SER 18 2.702 -7.394 -8.214 149 HB3 SER 18 HB2 SER 18 4.370 -7.914 -7.812 150 HG SER 18 HG1 SER 18 2.251 -9.775 -8.189 151 H LEU 19 HN LEU 19 1.406 -6.177 -6.299 152 HA LEU 19 HA LEU 19 3.257 -4.254 -5.400 153 HB2 LEU 19 HB1 LEU 19 0.194 -4.305 -5.482 154 HB3 LEU 19 HB2 LEU 19 1.131 -2.842 -5.039 155 HG LEU 19 HG LEU 19 1.426 -4.280 -7.734 156 HD11 LEU 19 HD11 LEU 19 -0.266 -1.806 -7.003 157 HD12 LEU 19 HD12 LEU 19 -0.899 -3.435 -7.451 158 HD13 LEU 19 HD13 LEU 19 0.006 -2.454 -8.662 159 HD21 LEU 19 HD21 LEU 19 2.314 -1.482 -6.779 160 HD22 LEU 19 HD22 LEU 19 2.463 -2.122 -8.454 161 HD23 LEU 19 HD23 LEU 19 3.407 -2.880 -7.123 162 H VAL 20 HN VAL 20 0.721 -6.068 -3.523 163 HA VAL 20 HA VAL 20 1.441 -4.504 -1.202 164 HB VAL 20 HB VAL 20 -0.852 -4.973 -1.678 165 HG11 VAL 20 HG11 VAL 20 -0.629 -7.358 -2.520 166 HG12 VAL 20 HG12 VAL 20 -0.327 -7.893 -0.816 167 HG13 VAL 20 HG13 VAL 20 -1.889 -7.134 -1.257 168 HG21 VAL 20 HG21 VAL 20 0.155 -6.115 1.016 169 HG22 VAL 20 HG22 VAL 20 -0.040 -4.364 0.612 170 HG23 VAL 20 HG23 VAL 20 -1.475 -5.445 0.671 171 H THR 21 HN THR 21 1.814 -8.053 -1.960 172 HA THR 21 HA THR 21 3.101 -8.324 0.664 173 HB THR 21 HB THR 21 1.265 -9.751 0.536 174 HG1 THR 21 HG1 THR 21 3.625 -11.198 0.061 175 HG21 THR 21 HG21 THR 21 0.875 -10.027 -1.862 176 HG22 THR 21 HG22 THR 21 1.136 -11.643 -1.127 177 HG23 THR 21 HG23 THR 21 2.456 -10.877 -2.085 178 H LYS 22 HN LYS 22 4.831 -7.107 -0.391 179 HA LYS 22 HA LYS 22 6.507 -8.304 -2.318 180 HB2 LYS 22 HB1 LYS 22 6.973 -6.034 -0.316 181 HB3 LYS 22 HB2 LYS 22 8.033 -6.374 -1.720 182 HG2 LYS 22 HG1 LYS 22 6.315 -5.866 -3.320 183 HG3 LYS 22 HG2 LYS 22 5.028 -5.764 -2.104 184 HD2 LYS 22 HD1 LYS 22 7.480 -3.891 -2.223 185 HD3 LYS 22 HD2 LYS 22 5.902 -3.527 -2.974 186 HE2 LYS 22 HE1 LYS 22 6.361 -3.921 0.077 187 HE3 LYS 22 HE2 LYS 22 6.179 -2.353 -0.798 188 HZ1 LYS 22 HZ1 LYS 22 4.052 -2.628 -0.332 189 HZ2 LYS 22 HZ2 LYS 22 4.114 -4.320 -0.109 190 HZ3 LYS 22 HZ3 LYS 22 4.024 -3.657 -1.641 191 H LYS 23 HN LYS 23 6.374 -8.930 1.106 192 HA LYS 23 HA LYS 23 8.749 -10.584 0.702 193 HB2 LYS 23 HB1 LYS 23 9.719 -10.277 2.808 194 HB3 LYS 23 HB2 LYS 23 9.373 -8.639 2.204 195 HG2 LYS 23 HG1 LYS 23 8.697 -8.375 4.377 196 HG3 LYS 23 HG2 LYS 23 7.131 -8.911 3.680 197 HD2 LYS 23 HD1 LYS 23 7.730 -11.298 4.394 198 HD3 LYS 23 HD2 LYS 23 9.203 -10.685 5.178 199 HE2 LYS 23 HE1 LYS 23 6.297 -9.848 5.914 200 HE3 LYS 23 HE2 LYS 23 7.217 -11.173 6.727 201 HZ1 LYS 23 HZ1 LYS 23 8.882 -9.574 7.383 202 HZ2 LYS 23 HZ2 LYS 23 7.355 -9.111 7.945 203 HZ3 LYS 23 HZ3 LYS 23 8.045 -8.315 6.615 204 H SER 24 HN SER 24 8.314 -12.728 1.057 205 HA SER 24 HA SER 24 6.426 -13.603 2.941 206 HB2 SER 24 HB1 SER 24 4.723 -12.920 1.236 207 HB3 SER 24 HB2 SER 24 5.574 -13.903 -0.009 208 HG SER 24 HG1 SER 24 3.733 -14.920 1.135 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 -13.931 -27.506 -0.031 2 HA PHE 1 HA PHE 1 -13.014 -27.235 -2.545 3 HB2 PHE 1 HB1 PHE 1 -14.337 -25.047 -0.818 4 HB3 PHE 1 HB2 PHE 1 -14.263 -25.027 -2.628 5 HD1 PHE 1 HD1 PHE 1 -15.115 -27.157 -3.852 6 HD2 PHE 1 HD2 PHE 1 -16.189 -26.126 0.182 7 HE1 PHE 1 HE1 PHE 1 -17.093 -28.639 -3.998 8 HE2 PHE 1 HE2 PHE 1 -18.168 -27.603 0.029 9 HZ PHE 1 HZ PHE 1 -18.621 -28.863 -2.056 10 H LEU 2 HN LEU 2 -12.463 -24.267 -2.759 11 HA LEU 2 HA LEU 2 -9.753 -24.120 -1.731 12 HB2 LEU 2 HB1 LEU 2 -10.480 -23.940 -4.742 13 HB3 LEU 2 HB2 LEU 2 -8.920 -23.451 -4.031 14 HG LEU 2 HG LEU 2 -8.924 -26.006 -3.149 15 HD11 LEU 2 HD11 LEU 2 -10.454 -26.137 -5.836 16 HD12 LEU 2 HD12 LEU 2 -11.128 -26.635 -4.243 17 HD13 LEU 2 HD13 LEU 2 -9.744 -27.539 -4.963 18 HD21 LEU 2 HD21 LEU 2 -7.141 -24.888 -4.478 19 HD22 LEU 2 HD22 LEU 2 -8.118 -25.085 -5.979 20 HD23 LEU 2 HD23 LEU 2 -7.480 -26.537 -5.124 21 HA PRO 3 HA PRO 3 -11.389 -19.976 -1.427 22 HB2 PRO 3 HB1 PRO 3 -9.134 -18.335 -1.646 23 HB3 PRO 3 HB2 PRO 3 -9.499 -19.348 -0.195 24 HG2 PRO 3 HG1 PRO 3 -7.695 -20.095 -2.566 25 HG3 PRO 3 HG2 PRO 3 -7.285 -20.150 -0.800 26 HD2 PRO 3 HD1 PRO 3 -8.136 -22.383 -2.153 27 HD3 PRO 3 HD2 PRO 3 -8.738 -22.066 -0.463 28 H ILE 4 HN ILE 4 -12.716 -19.221 -2.958 29 HA ILE 4 HA ILE 4 -12.138 -19.285 -5.683 30 HB ILE 4 HB ILE 4 -14.280 -17.702 -4.195 31 HG12 ILE 4 HG11 ILE 4 -14.383 -20.502 -5.480 32 HG13 ILE 4 HG12 ILE 4 -14.237 -20.215 -3.723 33 HG21 ILE 4 HG21 ILE 4 -13.981 -16.877 -6.563 34 HG22 ILE 4 HG22 ILE 4 -14.064 -18.576 -7.164 35 HG23 ILE 4 HG23 ILE 4 -15.501 -17.800 -6.410 36 HD11 ILE 4 HD1 ILE 4 -16.578 -20.682 -4.234 37 HD12 ILE 4 HD2 ILE 4 -16.439 -18.954 -3.749 38 HD13 ILE 4 HD3 ILE 4 -16.635 -19.398 -5.486 39 H LEU 5 HN LEU 5 -12.115 -16.470 -3.431 40 HA LEU 5 HA LEU 5 -11.611 -14.540 -5.354 41 HB2 LEU 5 HB1 LEU 5 -10.820 -14.567 -2.374 42 HB3 LEU 5 HB2 LEU 5 -10.804 -13.131 -3.438 43 HG LEU 5 HG LEU 5 -12.700 -12.944 -2.101 44 HD11 LEU 5 HD11 LEU 5 -13.039 -12.320 -4.501 45 HD12 LEU 5 HD12 LEU 5 -14.567 -12.805 -3.684 46 HD13 LEU 5 HD13 LEU 5 -13.762 -13.946 -4.816 47 HD21 LEU 5 HD21 LEU 5 -13.814 -15.691 -2.918 48 HD22 LEU 5 HD22 LEU 5 -14.500 -14.507 -1.764 49 HD23 LEU 5 HD23 LEU 5 -12.958 -15.336 -1.355 50 H ALA 6 HN ALA 6 -9.221 -16.406 -3.420 51 HA ALA 6 HA ALA 6 -6.943 -15.112 -4.469 52 HB1 ALA 6 HB1 ALA 6 -6.934 -16.504 -2.378 53 HB2 ALA 6 HB2 ALA 6 -7.290 -17.971 -3.367 54 HB3 ALA 6 HB3 ALA 6 -5.722 -17.103 -3.562 55 H SER 7 HN SER 7 -8.709 -18.048 -5.542 56 HA SER 7 HA SER 7 -7.021 -18.716 -7.679 57 HB2 SER 7 HB1 SER 7 -10.059 -19.188 -7.460 58 HB3 SER 7 HB2 SER 7 -8.916 -20.052 -8.550 59 HG SER 7 HG1 SER 7 -9.127 -20.178 -5.726 60 H LEU 8 HN LEU 8 -9.971 -16.648 -7.641 61 HA LEU 8 HA LEU 8 -9.979 -16.005 -10.366 62 HB2 LEU 8 HB1 LEU 8 -11.827 -15.800 -8.673 63 HB3 LEU 8 HB2 LEU 8 -11.018 -14.385 -7.956 64 HG LEU 8 HG LEU 8 -11.837 -14.478 -10.922 65 HD11 LEU 8 HD11 LEU 8 -14.016 -13.449 -10.282 66 HD12 LEU 8 HD12 LEU 8 -13.603 -13.636 -8.538 67 HD13 LEU 8 HD13 LEU 8 -13.839 -15.095 -9.573 68 HD21 LEU 8 HD21 LEU 8 -12.110 -11.983 -10.607 69 HD22 LEU 8 HD22 LEU 8 -10.417 -12.509 -10.322 70 HD23 LEU 8 HD23 LEU 8 -11.498 -12.141 -8.922 71 H ALA 9 HN ALA 9 -8.482 -14.283 -7.575 72 HA ALA 9 HA ALA 9 -7.389 -12.165 -9.007 73 HB1 ALA 9 HB1 ALA 9 -7.656 -12.242 -6.530 74 HB2 ALA 9 HB2 ALA 9 -6.452 -13.573 -6.439 75 HB3 ALA 9 HB3 ALA 9 -5.936 -11.921 -6.958 76 H ALA 10 HN ALA 10 -5.931 -15.393 -8.271 77 HA ALA 10 HA ALA 10 -3.510 -14.957 -9.609 78 HB1 ALA 10 HB1 ALA 10 -5.113 -17.552 -9.182 79 HB2 ALA 10 HB2 ALA 10 -3.358 -17.457 -9.599 80 HB3 ALA 10 HB3 ALA 10 -3.950 -16.837 -8.015 81 H LYS 11 HN LYS 11 -6.636 -16.218 -10.886 82 HA LYS 11 HA LYS 11 -5.731 -16.688 -13.484 83 HB2 LYS 11 HB1 LYS 11 -7.969 -17.288 -12.150 84 HB3 LYS 11 HB2 LYS 11 -8.609 -15.834 -12.940 85 HG2 LYS 11 HG1 LYS 11 -7.545 -18.452 -14.227 86 HG3 LYS 11 HG2 LYS 11 -9.227 -17.881 -14.114 87 HD2 LYS 11 HD1 LYS 11 -8.920 -17.247 -16.272 88 HD3 LYS 11 HD2 LYS 11 -8.253 -15.783 -15.503 89 HE2 LYS 11 HE1 LYS 11 -5.966 -17.413 -15.652 90 HE3 LYS 11 HE2 LYS 11 -6.893 -18.039 -17.071 91 HZ1 LYS 11 HZ1 LYS 11 -7.073 -15.687 -17.813 92 HZ2 LYS 11 HZ2 LYS 11 -5.447 -16.196 -17.673 93 HZ3 LYS 11 HZ3 LYS 11 -6.137 -15.242 -16.467 94 H PHE 12 HN PHE 12 -7.158 -13.717 -12.072 95 HA PHE 12 HA PHE 12 -7.001 -12.063 -14.350 96 HB2 PHE 12 HB1 PHE 12 -8.322 -11.449 -12.331 97 HB3 PHE 12 HB2 PHE 12 -6.843 -11.493 -11.321 98 HD1 PHE 12 HD1 PHE 12 -5.835 -9.478 -10.830 99 HD2 PHE 12 HD2 PHE 12 -8.172 -9.747 -14.420 100 HE1 PHE 12 HE1 PHE 12 -5.536 -7.045 -11.202 101 HE2 PHE 12 HE2 PHE 12 -7.856 -7.324 -14.811 102 HZ PHE 12 HZ PHE 12 -6.550 -5.964 -13.199 103 H GLY 13 HN GLY 13 -4.642 -12.804 -11.797 104 HA2 GLY 13 HA1 GLY 13 -2.477 -13.332 -12.559 105 HA3 GLY 13 HA2 GLY 13 -2.445 -11.792 -13.498 106 HA PRO 14 HA PRO 14 -1.436 -11.977 -8.863 107 HB2 PRO 14 HB1 PRO 14 1.378 -12.066 -8.678 108 HB3 PRO 14 HB2 PRO 14 0.348 -13.511 -8.985 109 HG2 PRO 14 HG1 PRO 14 1.716 -11.735 -11.087 110 HG3 PRO 14 HG2 PRO 14 1.833 -13.536 -10.912 111 HD2 PRO 14 HD1 PRO 14 0.040 -12.449 -12.662 112 HD3 PRO 14 HD2 PRO 14 -0.484 -13.825 -11.585 113 H LYS 15 HN LYS 15 -0.808 -9.601 -11.029 114 HA LYS 15 HA LYS 15 0.780 -7.639 -10.236 115 HB2 LYS 15 HB1 LYS 15 -2.196 -7.452 -10.985 116 HB3 LYS 15 HB2 LYS 15 -1.086 -6.051 -11.067 117 HG2 LYS 15 HG1 LYS 15 0.063 -6.840 -12.928 118 HG3 LYS 15 HG2 LYS 15 -0.353 -8.554 -12.670 119 HD2 LYS 15 HD1 LYS 15 -2.468 -6.437 -13.412 120 HD3 LYS 15 HD2 LYS 15 -1.512 -7.350 -14.628 121 HE2 LYS 15 HE1 LYS 15 -2.341 -9.521 -13.724 122 HE3 LYS 15 HE2 LYS 15 -3.349 -8.663 -12.500 123 HZ1 LYS 15 HZ1 LYS 15 -3.674 -8.187 -15.423 124 HZ2 LYS 15 HZ2 LYS 15 -4.768 -7.882 -14.145 125 HZ3 LYS 15 HZ3 LYS 15 -4.405 -9.463 -14.588 126 H LEU 16 HN LEU 16 -2.487 -8.002 -8.736 127 HA LEU 16 HA LEU 16 -2.237 -5.808 -7.018 128 HB2 LEU 16 HB1 LEU 16 -4.268 -6.582 -5.978 129 HB3 LEU 16 HB2 LEU 16 -4.408 -6.725 -7.748 130 HG LEU 16 HG LEU 16 -3.903 -9.052 -5.788 131 HD11 LEU 16 HD11 LEU 16 -6.453 -8.222 -7.300 132 HD12 LEU 16 HD12 LEU 16 -6.144 -8.008 -5.536 133 HD13 LEU 16 HD13 LEU 16 -6.256 -9.663 -6.233 134 HD21 LEU 16 HD21 LEU 16 -4.488 -9.119 -8.826 135 HD22 LEU 16 HD22 LEU 16 -4.555 -10.538 -7.726 136 HD23 LEU 16 HD23 LEU 16 -2.993 -9.720 -7.995 137 H PHE 17 HN PHE 17 -1.494 -9.275 -6.440 138 HA PHE 17 HA PHE 17 -0.893 -8.943 -3.683 139 HB2 PHE 17 HB1 PHE 17 0.082 -11.084 -5.690 140 HB3 PHE 17 HB2 PHE 17 0.188 -11.205 -3.894 141 HD1 PHE 17 HD1 PHE 17 -1.557 -12.464 -6.531 142 HD2 PHE 17 HD2 PHE 17 -2.290 -10.526 -2.765 143 HE1 PHE 17 HE1 PHE 17 -3.781 -13.551 -6.401 144 HE2 PHE 17 HE2 PHE 17 -4.511 -11.596 -2.645 145 HZ PHE 17 HZ PHE 17 -5.257 -13.120 -4.450 146 H SER 18 HN SER 18 1.123 -9.004 -6.659 147 HA SER 18 HA SER 18 3.593 -8.757 -5.461 148 HB2 SER 18 HB1 SER 18 2.734 -7.548 -8.154 149 HB3 SER 18 HB2 SER 18 4.429 -7.886 -7.628 150 HG SER 18 HG1 SER 18 3.761 -9.606 -8.845 151 H LEU 19 HN LEU 19 1.335 -6.114 -6.388 152 HA LEU 19 HA LEU 19 3.060 -4.005 -5.684 153 HB2 LEU 19 HB1 LEU 19 0.011 -4.272 -5.737 154 HB3 LEU 19 HB2 LEU 19 0.821 -2.716 -5.365 155 HG LEU 19 HG LEU 19 1.279 -4.263 -7.971 156 HD11 LEU 19 HD11 LEU 19 -0.268 -2.610 -9.018 157 HD12 LEU 19 HD12 LEU 19 -0.626 -1.905 -7.397 158 HD13 LEU 19 HD13 LEU 19 -1.112 -3.603 -7.771 159 HD21 LEU 19 HD21 LEU 19 2.143 -2.055 -8.787 160 HD22 LEU 19 HD22 LEU 19 3.125 -2.675 -7.415 161 HD23 LEU 19 HD23 LEU 19 1.921 -1.357 -7.142 162 H VAL 20 HN VAL 20 0.712 -5.818 -3.594 163 HA VAL 20 HA VAL 20 1.427 -4.030 -1.413 164 HB VAL 20 HB VAL 20 -0.875 -4.497 -1.806 165 HG11 VAL 20 HG11 VAL 20 -0.698 -6.935 -2.516 166 HG12 VAL 20 HG12 VAL 20 -0.393 -7.371 -0.786 167 HG13 VAL 20 HG13 VAL 20 -1.943 -6.608 -1.261 168 HG21 VAL 20 HG21 VAL 20 -1.460 -4.827 0.576 169 HG22 VAL 20 HG22 VAL 20 0.165 -5.507 0.928 170 HG23 VAL 20 HG23 VAL 20 -0.007 -3.777 0.432 171 H THR 21 HN THR 21 1.710 -7.643 -1.878 172 HA THR 21 HA THR 21 2.953 -7.697 0.763 173 HB THR 21 HB THR 21 1.052 -9.061 0.632 174 HG1 THR 21 HG1 THR 21 3.065 -10.939 0.656 175 HG21 THR 21 HG21 THR 21 0.976 -9.753 -1.735 176 HG22 THR 21 HG22 THR 21 1.046 -11.200 -0.673 177 HG23 THR 21 HG23 THR 21 2.520 -10.676 -1.560 178 H LYS 22 HN LYS 22 4.696 -6.588 -0.470 179 HA LYS 22 HA LYS 22 6.525 -8.128 -1.991 180 HB2 LYS 22 HB1 LYS 22 6.878 -5.532 -0.399 181 HB3 LYS 22 HB2 LYS 22 8.012 -6.124 -1.658 182 HG2 LYS 22 HG1 LYS 22 6.358 -5.915 -3.414 183 HG3 LYS 22 HG2 LYS 22 5.033 -5.551 -2.297 184 HD2 LYS 22 HD1 LYS 22 7.515 -3.784 -2.762 185 HD3 LYS 22 HD2 LYS 22 5.916 -3.544 -3.519 186 HE2 LYS 22 HE1 LYS 22 6.517 -3.324 -0.477 187 HE3 LYS 22 HE2 LYS 22 6.248 -1.974 -1.641 188 HZ1 LYS 22 HZ1 LYS 22 4.203 -2.211 -0.789 189 HZ2 LYS 22 HZ2 LYS 22 4.257 -3.898 -0.569 190 HZ3 LYS 22 HZ3 LYS 22 4.043 -3.240 -2.091 191 H LYS 23 HN LYS 23 5.941 -8.094 1.388 192 HA LYS 23 HA LYS 23 8.599 -8.953 2.178 193 HB2 LYS 23 HB1 LYS 23 7.132 -7.625 3.694 194 HB3 LYS 23 HB2 LYS 23 5.895 -8.919 3.643 195 HG2 LYS 23 HG1 LYS 23 7.428 -10.482 4.798 196 HG3 LYS 23 HG2 LYS 23 8.749 -9.266 4.759 197 HD2 LYS 23 HD1 LYS 23 7.478 -7.785 6.298 198 HD3 LYS 23 HD2 LYS 23 6.019 -8.795 6.116 199 HE2 LYS 23 HE1 LYS 23 7.059 -9.207 8.328 200 HE3 LYS 23 HE2 LYS 23 7.078 -10.699 7.309 201 HZ1 LYS 23 HZ1 LYS 23 9.177 -10.348 8.419 202 HZ2 LYS 23 HZ2 LYS 23 9.360 -8.821 7.707 203 HZ3 LYS 23 HZ3 LYS 23 9.368 -10.215 6.739 204 H SER 24 HN SER 24 5.738 -10.561 0.852 205 HA SER 24 HA SER 24 7.119 -13.029 0.824 206 HB2 SER 24 HB1 SER 24 6.324 -13.124 3.238 207 HB3 SER 24 HB2 SER 24 4.631 -12.997 2.642 208 HG SER 24 HG1 SER 24 5.295 -15.185 2.958 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 -13.939 -27.573 -0.124 2 HA PHE 1 HA PHE 1 -13.052 -27.194 -2.607 3 HB2 PHE 1 HB1 PHE 1 -14.492 -25.083 -0.877 4 HB3 PHE 1 HB2 PHE 1 -14.438 -25.075 -2.689 5 HD1 PHE 1 HD1 PHE 1 -15.165 -27.285 -3.876 6 HD2 PHE 1 HD2 PHE 1 -16.267 -26.251 0.150 7 HE1 PHE 1 HE1 PHE 1 -17.043 -28.896 -3.975 8 HE2 PHE 1 HE2 PHE 1 -18.149 -27.852 0.042 9 HZ PHE 1 HZ PHE 1 -18.537 -29.178 -2.016 10 H LEU 2 HN LEU 2 -12.726 -24.045 -2.518 11 HA LEU 2 HA LEU 2 -9.902 -23.998 -1.801 12 HB2 LEU 2 HB1 LEU 2 -10.991 -23.437 -4.649 13 HB3 LEU 2 HB2 LEU 2 -9.362 -22.990 -4.079 14 HG LEU 2 HG LEU 2 -9.224 -25.636 -3.527 15 HD11 LEU 2 HD11 LEU 2 -11.031 -25.471 -6.034 16 HD12 LEU 2 HD12 LEU 2 -11.529 -26.173 -4.452 17 HD13 LEU 2 HD13 LEU 2 -10.216 -26.951 -5.414 18 HD21 LEU 2 HD21 LEU 2 -8.748 -24.332 -6.280 19 HD22 LEU 2 HD22 LEU 2 -7.996 -25.862 -5.696 20 HD23 LEU 2 HD23 LEU 2 -7.617 -24.301 -4.877 21 HA PRO 3 HA PRO 3 -11.311 -19.720 -1.231 22 HB2 PRO 3 HB1 PRO 3 -8.955 -18.289 -1.269 23 HB3 PRO 3 HB2 PRO 3 -9.368 -19.422 0.074 24 HG2 PRO 3 HG1 PRO 3 -7.630 -20.023 -2.384 25 HG3 PRO 3 HG2 PRO 3 -7.207 -20.281 -0.639 26 HD2 PRO 3 HD1 PRO 3 -8.233 -22.302 -2.227 27 HD3 PRO 3 HD2 PRO 3 -8.723 -22.153 -0.477 28 H ILE 4 HN ILE 4 -12.474 -19.895 -3.265 29 HA ILE 4 HA ILE 4 -11.438 -19.765 -5.758 30 HB ILE 4 HB ILE 4 -14.157 -18.677 -4.899 31 HG12 ILE 4 HG11 ILE 4 -13.285 -21.528 -5.687 32 HG13 ILE 4 HG12 ILE 4 -13.712 -20.993 -4.031 33 HG21 ILE 4 HG21 ILE 4 -14.840 -19.298 -7.254 34 HG22 ILE 4 HG22 ILE 4 -13.568 -18.048 -7.275 35 HG23 ILE 4 HG23 ILE 4 -13.140 -19.766 -7.620 36 HD11 ILE 4 HD1 ILE 4 -15.636 -22.157 -4.957 37 HD12 ILE 4 HD2 ILE 4 -16.046 -20.410 -4.825 38 HD13 ILE 4 HD3 ILE 4 -15.644 -21.129 -6.429 39 H LEU 5 HN LEU 5 -12.390 -16.890 -3.826 40 HA LEU 5 HA LEU 5 -11.984 -14.984 -5.817 41 HB2 LEU 5 HB1 LEU 5 -11.602 -14.747 -2.768 42 HB3 LEU 5 HB2 LEU 5 -11.668 -13.374 -3.911 43 HG LEU 5 HG LEU 5 -13.732 -13.446 -2.831 44 HD11 LEU 5 HD11 LEU 5 -14.249 -14.707 -5.595 45 HD12 LEU 5 HD12 LEU 5 -13.836 -12.975 -5.287 46 HD13 LEU 5 HD13 LEU 5 -15.369 -13.670 -4.645 47 HD21 LEU 5 HD21 LEU 5 -15.298 -15.269 -2.637 48 HD22 LEU 5 HD22 LEU 5 -13.713 -15.816 -1.985 49 HD23 LEU 5 HD23 LEU 5 -14.279 -16.367 -3.620 50 H ALA 6 HN ALA 6 -9.575 -16.443 -3.579 51 HA ALA 6 HA ALA 6 -7.446 -14.730 -4.369 52 HB1 ALA 6 HB1 ALA 6 -7.453 -15.994 -2.204 53 HB2 ALA 6 HB2 ALA 6 -7.409 -17.546 -3.118 54 HB3 ALA 6 HB3 ALA 6 -6.011 -16.408 -3.198 55 H SER 7 HN SER 7 -8.488 -18.012 -5.443 56 HA SER 7 HA SER 7 -6.505 -18.367 -7.385 57 HB2 SER 7 HB1 SER 7 -9.405 -19.392 -7.428 58 HB3 SER 7 HB2 SER 7 -8.055 -20.050 -8.419 59 HG SER 7 HG1 SER 7 -7.063 -20.718 -6.504 60 H LEU 8 HN LEU 8 -9.755 -16.861 -7.708 61 HA LEU 8 HA LEU 8 -9.609 -16.335 -10.453 62 HB2 LEU 8 HB1 LEU 8 -11.624 -16.358 -8.943 63 HB3 LEU 8 HB2 LEU 8 -11.119 -14.799 -8.247 64 HG LEU 8 HG LEU 8 -11.642 -15.180 -11.258 65 HD11 LEU 8 HD11 LEU 8 -13.993 -14.444 -10.858 66 HD12 LEU 8 HD12 LEU 8 -13.703 -14.461 -9.079 67 HD13 LEU 8 HD13 LEU 8 -13.643 -16.001 -10.019 68 HD21 LEU 8 HD21 LEU 8 -10.576 -12.987 -10.708 69 HD22 LEU 8 HD22 LEU 8 -11.802 -12.700 -9.414 70 HD23 LEU 8 HD23 LEU 8 -12.298 -12.735 -11.144 71 H ALA 9 HN ALA 9 -8.724 -14.228 -7.645 72 HA ALA 9 HA ALA 9 -7.835 -12.056 -9.146 73 HB1 ALA 9 HB1 ALA 9 -6.668 -11.412 -6.999 74 HB2 ALA 9 HB2 ALA 9 -8.360 -11.966 -6.715 75 HB3 ALA 9 HB3 ALA 9 -6.991 -13.076 -6.370 76 H ALA 10 HN ALA 10 -5.991 -14.924 -7.982 77 HA ALA 10 HA ALA 10 -3.501 -14.136 -8.968 78 HB1 ALA 10 HB1 ALA 10 -2.923 -16.562 -8.726 79 HB2 ALA 10 HB2 ALA 10 -3.862 -15.971 -7.306 80 HB3 ALA 10 HB3 ALA 10 -4.681 -16.951 -8.572 81 H LYS 11 HN LYS 11 -6.113 -16.001 -10.637 82 HA LYS 11 HA LYS 11 -4.604 -16.286 -13.025 83 HB2 LYS 11 HB1 LYS 11 -6.703 -17.545 -12.174 84 HB3 LYS 11 HB2 LYS 11 -7.678 -16.249 -12.891 85 HG2 LYS 11 HG1 LYS 11 -5.532 -17.643 -14.614 86 HG3 LYS 11 HG2 LYS 11 -6.927 -18.602 -14.074 87 HD2 LYS 11 HD1 LYS 11 -7.498 -17.947 -16.205 88 HD3 LYS 11 HD2 LYS 11 -8.512 -16.932 -15.130 89 HE2 LYS 11 HE1 LYS 11 -7.159 -14.939 -15.632 90 HE3 LYS 11 HE2 LYS 11 -5.870 -15.938 -16.418 91 HZ1 LYS 11 HZ1 LYS 11 -7.434 -16.508 -18.148 92 HZ2 LYS 11 HZ2 LYS 11 -7.275 -14.828 -18.009 93 HZ3 LYS 11 HZ3 LYS 11 -8.662 -15.599 -17.408 94 H PHE 12 HN PHE 12 -7.001 -13.818 -11.998 95 HA PHE 12 HA PHE 12 -7.067 -12.432 -14.447 96 HB2 PHE 12 HB1 PHE 12 -8.832 -12.418 -12.608 97 HB3 PHE 12 HB2 PHE 12 -7.715 -11.462 -11.584 98 HD1 PHE 12 HD1 PHE 12 -7.615 -9.100 -11.847 99 HD2 PHE 12 HD2 PHE 12 -9.596 -11.464 -14.837 100 HE1 PHE 12 HE1 PHE 12 -8.504 -7.034 -12.892 101 HE2 PHE 12 HE2 PHE 12 -10.480 -9.397 -15.885 102 HZ PHE 12 HZ PHE 12 -9.934 -7.185 -14.913 103 H GLY 13 HN GLY 13 -5.121 -11.774 -11.457 104 HA2 GLY 13 HA1 GLY 13 -3.258 -10.201 -13.008 105 HA3 GLY 13 HA2 GLY 13 -4.420 -9.254 -12.023 106 HA PRO 14 HA PRO 14 -1.899 -11.633 -8.818 107 HB2 PRO 14 HB1 PRO 14 0.554 -12.798 -9.492 108 HB3 PRO 14 HB2 PRO 14 -1.025 -13.623 -9.779 109 HG2 PRO 14 HG1 PRO 14 0.573 -11.962 -11.802 110 HG3 PRO 14 HG2 PRO 14 -0.090 -13.640 -12.001 111 HD2 PRO 14 HD1 PRO 14 -1.472 -11.439 -12.917 112 HD3 PRO 14 HD2 PRO 14 -2.357 -12.827 -12.157 113 H LYS 15 HN LYS 15 -0.881 -9.325 -10.942 114 HA LYS 15 HA LYS 15 1.321 -8.099 -9.686 115 HB2 LYS 15 HB1 LYS 15 -1.021 -6.875 -11.263 116 HB3 LYS 15 HB2 LYS 15 0.483 -6.011 -10.817 117 HG2 LYS 15 HG1 LYS 15 1.828 -7.648 -12.149 118 HG3 LYS 15 HG2 LYS 15 0.316 -8.451 -12.697 119 HD2 LYS 15 HD1 LYS 15 -0.440 -6.297 -13.770 120 HD3 LYS 15 HD2 LYS 15 0.962 -5.459 -13.066 121 HE2 LYS 15 HE1 LYS 15 1.449 -5.771 -15.407 122 HE3 LYS 15 HE2 LYS 15 2.541 -6.861 -14.470 123 HZ1 LYS 15 HZ1 LYS 15 1.572 -7.941 -16.394 124 HZ2 LYS 15 HZ2 LYS 15 0.004 -7.655 -15.830 125 HZ3 LYS 15 HZ3 LYS 15 1.041 -8.689 -14.970 126 H LEU 16 HN LEU 16 -2.227 -7.953 -8.907 127 HA LEU 16 HA LEU 16 -1.968 -5.785 -7.136 128 HB2 LEU 16 HB1 LEU 16 -4.214 -6.278 -6.380 129 HB3 LEU 16 HB2 LEU 16 -4.082 -6.417 -8.150 130 HG LEU 16 HG LEU 16 -3.717 -9.052 -7.518 131 HD11 LEU 16 HD11 LEU 16 -5.313 -9.718 -5.733 132 HD12 LEU 16 HD12 LEU 16 -5.661 -7.992 -5.359 133 HD13 LEU 16 HD13 LEU 16 -4.033 -8.679 -5.015 134 HD21 LEU 16 HD21 LEU 16 -6.113 -9.365 -8.072 135 HD22 LEU 16 HD22 LEU 16 -5.368 -8.113 -9.126 136 HD23 LEU 16 HD23 LEU 16 -6.435 -7.618 -7.755 137 H PHE 17 HN PHE 17 -1.784 -9.318 -6.446 138 HA PHE 17 HA PHE 17 -1.273 -9.017 -3.688 139 HB2 PHE 17 HB1 PHE 17 -0.389 -11.224 -5.670 140 HB3 PHE 17 HB2 PHE 17 -0.269 -11.358 -3.876 141 HD1 PHE 17 HD1 PHE 17 -2.165 -12.471 -6.494 142 HD2 PHE 17 HD2 PHE 17 -2.642 -10.537 -2.682 143 HE1 PHE 17 HE1 PHE 17 -4.447 -13.410 -6.295 144 HE2 PHE 17 HE2 PHE 17 -4.927 -11.452 -2.504 145 HZ PHE 17 HZ PHE 17 -5.833 -12.894 -4.305 146 H SER 18 HN SER 18 0.905 -9.153 -6.484 147 HA SER 18 HA SER 18 3.346 -9.186 -5.144 148 HB2 SER 18 HB1 SER 18 2.756 -7.830 -7.849 149 HB3 SER 18 HB2 SER 18 4.364 -8.364 -7.245 150 HG SER 18 HG1 SER 18 2.132 -10.043 -7.869 151 H LEU 19 HN LEU 19 1.380 -6.345 -6.144 152 HA LEU 19 HA LEU 19 3.213 -4.387 -5.318 153 HB2 LEU 19 HB1 LEU 19 0.160 -4.418 -5.552 154 HB3 LEU 19 HB2 LEU 19 1.059 -2.931 -5.116 155 HG LEU 19 HG LEU 19 1.561 -4.489 -7.708 156 HD11 LEU 19 HD11 LEU 19 0.191 -2.726 -8.827 157 HD12 LEU 19 HD12 LEU 19 -0.212 -2.010 -7.223 158 HD13 LEU 19 HD13 LEU 19 -0.789 -3.667 -7.641 159 HD21 LEU 19 HD21 LEU 19 2.341 -1.636 -6.819 160 HD22 LEU 19 HD22 LEU 19 2.622 -2.344 -8.451 161 HD23 LEU 19 HD23 LEU 19 3.471 -3.031 -7.022 162 H VAL 20 HN VAL 20 0.622 -6.030 -3.374 163 HA VAL 20 HA VAL 20 1.326 -4.316 -1.138 164 HB VAL 20 HB VAL 20 -0.965 -4.735 -1.546 165 HG11 VAL 20 HG11 VAL 20 -0.488 -7.696 -0.798 166 HG12 VAL 20 HG12 VAL 20 -2.055 -6.889 -1.125 167 HG13 VAL 20 HG13 VAL 20 -0.866 -7.078 -2.457 168 HG21 VAL 20 HG21 VAL 20 -1.597 -5.226 0.792 169 HG22 VAL 20 HG22 VAL 20 0.004 -5.970 1.120 170 HG23 VAL 20 HG23 VAL 20 -0.116 -4.205 0.756 171 H THR 21 HN THR 21 1.639 -7.916 -1.709 172 HA THR 21 HA THR 21 3.036 -7.981 0.882 173 HB THR 21 HB THR 21 1.026 -9.227 0.889 174 HG1 THR 21 HG1 THR 21 1.965 -11.115 1.696 175 HG21 THR 21 HG21 THR 21 2.353 -11.088 -1.197 176 HG22 THR 21 HG22 THR 21 0.909 -10.043 -1.470 177 HG23 THR 21 HG23 THR 21 0.826 -11.405 -0.302 178 H LYS 22 HN LYS 22 4.704 -6.954 -0.430 179 HA LYS 22 HA LYS 22 6.347 -8.301 -2.219 180 HB2 LYS 22 HB1 LYS 22 7.207 -6.244 -0.099 181 HB3 LYS 22 HB2 LYS 22 8.039 -6.576 -1.651 182 HG2 LYS 22 HG1 LYS 22 6.134 -5.617 -2.915 183 HG3 LYS 22 HG2 LYS 22 5.173 -5.450 -1.419 184 HD2 LYS 22 HD1 LYS 22 7.090 -3.971 -0.478 185 HD3 LYS 22 HD2 LYS 22 7.783 -3.974 -2.121 186 HE2 LYS 22 HE1 LYS 22 6.461 -1.904 -1.679 187 HE3 LYS 22 HE2 LYS 22 5.699 -2.862 -3.011 188 HZ1 LYS 22 HZ1 LYS 22 3.968 -3.428 -1.707 189 HZ2 LYS 22 HZ2 LYS 22 4.320 -1.924 -1.061 190 HZ3 LYS 22 HZ3 LYS 22 4.791 -3.327 -0.226 191 H LYS 23 HN LYS 23 6.524 -8.205 1.351 192 HA LYS 23 HA LYS 23 8.311 -10.573 1.232 193 HB2 LYS 23 HB1 LYS 23 9.478 -8.609 2.328 194 HB3 LYS 23 HB2 LYS 23 8.097 -8.441 3.437 195 HG2 LYS 23 HG1 LYS 23 8.872 -11.175 3.783 196 HG3 LYS 23 HG2 LYS 23 10.406 -10.349 3.455 197 HD2 LYS 23 HD1 LYS 23 10.489 -9.680 5.596 198 HD3 LYS 23 HD2 LYS 23 9.075 -8.635 5.339 199 HE2 LYS 23 HE1 LYS 23 9.055 -11.587 6.304 200 HE3 LYS 23 HE2 LYS 23 8.763 -10.121 7.316 201 HZ1 LYS 23 HZ1 LYS 23 6.960 -11.582 5.673 202 HZ2 LYS 23 HZ2 LYS 23 6.972 -10.009 5.171 203 HZ3 LYS 23 HZ3 LYS 23 6.623 -10.365 6.797 204 H SER 24 HN SER 24 6.677 -12.108 1.257 205 HA SER 24 HA SER 24 4.442 -11.807 3.076 206 HB2 SER 24 HB1 SER 24 4.140 -12.745 0.796 207 HB3 SER 24 HB2 SER 24 5.154 -14.161 1.248 208 HG SER 24 HG1 SER 24 2.894 -14.556 1.528 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 -14.252 -27.730 0.213 2 HA PHE 1 HA PHE 1 -13.267 -27.600 -2.297 3 HB2 PHE 1 HB1 PHE 1 -14.740 -25.383 -0.739 4 HB3 PHE 1 HB2 PHE 1 -14.559 -25.408 -2.540 5 HD1 PHE 1 HD1 PHE 1 -15.286 -27.553 -3.777 6 HD2 PHE 1 HD2 PHE 1 -16.594 -26.540 0.192 7 HE1 PHE 1 HE1 PHE 1 -17.211 -29.090 -4.019 8 HE2 PHE 1 HE2 PHE 1 -18.522 -28.071 -0.057 9 HZ PHE 1 HZ PHE 1 -18.832 -29.348 -2.159 10 H LEU 2 HN LEU 2 -12.801 -24.649 -2.696 11 HA LEU 2 HA LEU 2 -10.113 -24.368 -1.638 12 HB2 LEU 2 HB1 LEU 2 -10.774 -24.414 -4.668 13 HB3 LEU 2 HB2 LEU 2 -9.219 -23.901 -3.953 14 HG LEU 2 HG LEU 2 -9.321 -26.402 -2.900 15 HD11 LEU 2 HD11 LEU 2 -10.727 -26.647 -5.646 16 HD12 LEU 2 HD12 LEU 2 -11.485 -27.038 -4.059 17 HD13 LEU 2 HD13 LEU 2 -10.098 -28.015 -4.664 18 HD21 LEU 2 HD21 LEU 2 -8.355 -25.675 -5.737 19 HD22 LEU 2 HD22 LEU 2 -7.800 -27.083 -4.762 20 HD23 LEU 2 HD23 LEU 2 -7.446 -25.407 -4.202 21 HA PRO 3 HA PRO 3 -11.862 -20.355 -1.831 22 HB2 PRO 3 HB1 PRO 3 -9.729 -18.608 -1.629 23 HB3 PRO 3 HB2 PRO 3 -10.171 -19.774 -0.325 24 HG2 PRO 3 HG1 PRO 3 -8.047 -20.160 -2.508 25 HG3 PRO 3 HG2 PRO 3 -7.850 -20.364 -0.717 26 HD2 PRO 3 HD1 PRO 3 -8.369 -22.511 -2.369 27 HD3 PRO 3 HD2 PRO 3 -9.168 -22.388 -0.735 28 H ILE 4 HN ILE 4 -12.942 -20.115 -3.740 29 HA ILE 4 HA ILE 4 -11.870 -19.942 -6.248 30 HB ILE 4 HB ILE 4 -14.517 -18.739 -5.334 31 HG12 ILE 4 HG11 ILE 4 -14.442 -21.013 -4.455 32 HG13 ILE 4 HG12 ILE 4 -15.523 -20.931 -5.865 33 HG21 ILE 4 HG21 ILE 4 -13.538 -19.809 -8.070 34 HG22 ILE 4 HG22 ILE 4 -15.237 -19.363 -7.681 35 HG23 ILE 4 HG23 ILE 4 -13.961 -18.103 -7.672 36 HD11 ILE 4 HD1 ILE 4 -12.654 -22.099 -5.863 37 HD12 ILE 4 HD2 ILE 4 -14.197 -23.012 -5.939 38 HD13 ILE 4 HD3 ILE 4 -13.717 -21.965 -7.317 39 H LEU 5 HN LEU 5 -12.786 -17.157 -4.165 40 HA LEU 5 HA LEU 5 -12.244 -15.156 -6.024 41 HB2 LEU 5 HB1 LEU 5 -11.974 -15.091 -2.952 42 HB3 LEU 5 HB2 LEU 5 -11.977 -13.660 -4.022 43 HG LEU 5 HG LEU 5 -14.078 -13.750 -3.019 44 HD11 LEU 5 HD11 LEU 5 -15.654 -13.855 -4.896 45 HD12 LEU 5 HD12 LEU 5 -14.519 -14.861 -5.861 46 HD13 LEU 5 HD13 LEU 5 -14.090 -13.155 -5.450 47 HD21 LEU 5 HD21 LEU 5 -14.127 -16.161 -2.295 48 HD22 LEU 5 HD22 LEU 5 -14.649 -16.617 -3.974 49 HD23 LEU 5 HD23 LEU 5 -15.678 -15.550 -2.970 50 H ALA 6 HN ALA 6 -9.996 -16.731 -3.700 51 HA ALA 6 HA ALA 6 -7.764 -15.117 -4.348 52 HB1 ALA 6 HB1 ALA 6 -7.933 -16.478 -2.250 53 HB2 ALA 6 HB2 ALA 6 -7.911 -17.986 -3.238 54 HB3 ALA 6 HB3 ALA 6 -6.463 -16.912 -3.190 55 H SER 7 HN SER 7 -8.919 -18.250 -5.663 56 HA SER 7 HA SER 7 -6.791 -18.629 -7.477 57 HB2 SER 7 HB1 SER 7 -8.503 -20.384 -6.757 58 HB3 SER 7 HB2 SER 7 -9.703 -19.565 -7.802 59 HG SER 7 HG1 SER 7 -7.306 -20.910 -8.555 60 H LEU 8 HN LEU 8 -9.975 -17.009 -7.980 61 HA LEU 8 HA LEU 8 -9.560 -16.333 -10.662 62 HB2 LEU 8 HB1 LEU 8 -11.725 -16.363 -9.401 63 HB3 LEU 8 HB2 LEU 8 -11.222 -14.926 -8.478 64 HG LEU 8 HG LEU 8 -12.902 -14.604 -10.340 65 HD11 LEU 8 HD11 LEU 8 -11.599 -12.680 -9.399 66 HD12 LEU 8 HD12 LEU 8 -12.111 -12.450 -11.111 67 HD13 LEU 8 HD13 LEU 8 -10.404 -12.858 -10.743 68 HD21 LEU 8 HD21 LEU 8 -10.526 -14.944 -12.270 69 HD22 LEU 8 HD22 LEU 8 -12.209 -14.471 -12.687 70 HD23 LEU 8 HD23 LEU 8 -11.881 -16.125 -12.050 71 H ALA 9 HN ALA 9 -8.853 -14.446 -7.667 72 HA ALA 9 HA ALA 9 -7.742 -12.226 -8.928 73 HB1 ALA 9 HB1 ALA 9 -7.133 -13.459 -6.176 74 HB2 ALA 9 HB2 ALA 9 -6.733 -11.768 -6.677 75 HB3 ALA 9 HB3 ALA 9 -8.452 -12.291 -6.533 76 H ALA 10 HN ALA 10 -6.126 -15.273 -7.850 77 HA ALA 10 HA ALA 10 -3.540 -14.543 -8.542 78 HB1 ALA 10 HB1 ALA 10 -4.140 -16.512 -7.126 79 HB2 ALA 10 HB2 ALA 10 -4.865 -17.319 -8.561 80 HB3 ALA 10 HB3 ALA 10 -3.087 -17.002 -8.502 81 H LYS 11 HN LYS 11 -6.063 -16.014 -10.690 82 HA LYS 11 HA LYS 11 -4.215 -16.034 -12.913 83 HB2 LYS 11 HB1 LYS 11 -7.273 -16.206 -12.854 84 HB3 LYS 11 HB2 LYS 11 -6.253 -16.390 -14.322 85 HG2 LYS 11 HG1 LYS 11 -5.059 -18.340 -13.119 86 HG3 LYS 11 HG2 LYS 11 -6.291 -18.197 -11.834 87 HD2 LYS 11 HD1 LYS 11 -7.000 -19.966 -13.274 88 HD3 LYS 11 HD2 LYS 11 -8.103 -18.581 -13.568 89 HE2 LYS 11 HE1 LYS 11 -6.835 -18.032 -15.697 90 HE3 LYS 11 HE2 LYS 11 -5.689 -19.388 -15.357 91 HZ1 LYS 11 HZ1 LYS 11 -7.549 -20.919 -15.502 92 HZ2 LYS 11 HZ2 LYS 11 -7.401 -20.012 -16.925 93 HZ3 LYS 11 HZ3 LYS 11 -8.626 -19.647 -15.813 94 H PHE 12 HN PHE 12 -6.916 -13.781 -12.009 95 HA PHE 12 HA PHE 12 -6.534 -12.258 -14.385 96 HB2 PHE 12 HB1 PHE 12 -8.738 -12.581 -13.179 97 HB3 PHE 12 HB2 PHE 12 -8.113 -11.610 -11.808 98 HD1 PHE 12 HD1 PHE 12 -8.508 -9.291 -11.844 99 HD2 PHE 12 HD2 PHE 12 -8.645 -11.461 -15.551 100 HE1 PHE 12 HE1 PHE 12 -9.276 -7.245 -13.016 101 HE2 PHE 12 HE2 PHE 12 -9.407 -9.415 -16.719 102 HZ PHE 12 HZ PHE 12 -9.722 -7.308 -15.455 103 H GLY 13 HN GLY 13 -5.574 -11.717 -10.971 104 HA2 GLY 13 HA1 GLY 13 -4.066 -9.316 -11.778 105 HA3 GLY 13 HA2 GLY 13 -5.326 -9.290 -10.503 106 HA PRO 14 HA PRO 14 -1.936 -11.489 -8.191 107 HB2 PRO 14 HB1 PRO 14 0.297 -12.651 -9.395 108 HB3 PRO 14 HB2 PRO 14 -1.296 -13.501 -9.358 109 HG2 PRO 14 HG1 PRO 14 -0.178 -11.793 -11.650 110 HG3 PRO 14 HG2 PRO 14 -0.844 -13.481 -11.724 111 HD2 PRO 14 HD1 PRO 14 -2.439 -11.288 -12.293 112 HD3 PRO 14 HD2 PRO 14 -3.098 -12.721 -11.400 113 H LYS 15 HN LYS 15 -1.440 -9.492 -10.745 114 HA LYS 15 HA LYS 15 0.709 -7.844 -10.328 115 HB2 LYS 15 HB1 LYS 15 -2.228 -7.086 -10.934 116 HB3 LYS 15 HB2 LYS 15 -0.785 -6.159 -11.442 117 HG2 LYS 15 HG1 LYS 15 -0.202 -7.864 -13.092 118 HG3 LYS 15 HG2 LYS 15 -1.416 -9.026 -12.464 119 HD2 LYS 15 HD1 LYS 15 -3.281 -7.444 -13.082 120 HD3 LYS 15 HD2 LYS 15 -2.068 -6.292 -13.694 121 HE2 LYS 15 HE1 LYS 15 -3.076 -7.384 -15.598 122 HE3 LYS 15 HE2 LYS 15 -1.370 -7.955 -15.476 123 HZ1 LYS 15 HZ1 LYS 15 -3.760 -9.488 -14.496 124 HZ2 LYS 15 HZ2 LYS 15 -2.158 -10.017 -14.542 125 HZ3 LYS 15 HZ3 LYS 15 -3.001 -9.703 -15.971 126 H LEU 16 HN LEU 16 -2.561 -7.701 -8.665 127 HA LEU 16 HA LEU 16 -1.788 -5.471 -7.090 128 HB2 LEU 16 HB1 LEU 16 -3.911 -5.557 -6.048 129 HB3 LEU 16 HB2 LEU 16 -4.119 -5.927 -7.777 130 HG LEU 16 HG LEU 16 -3.949 -8.492 -6.792 131 HD11 LEU 16 HD11 LEU 16 -3.771 -7.740 -4.386 132 HD12 LEU 16 HD12 LEU 16 -5.292 -8.648 -4.704 133 HD13 LEU 16 HD13 LEU 16 -5.329 -6.853 -4.565 134 HD21 LEU 16 HD21 LEU 16 -6.430 -8.538 -6.910 135 HD22 LEU 16 HD22 LEU 16 -5.732 -7.587 -8.272 136 HD23 LEU 16 HD23 LEU 16 -6.482 -6.736 -6.865 137 H PHE 17 HN PHE 17 -1.780 -8.992 -6.455 138 HA PHE 17 HA PHE 17 -1.048 -8.817 -3.751 139 HB2 PHE 17 HB1 PHE 17 -0.366 -10.997 -5.827 140 HB3 PHE 17 HB2 PHE 17 -0.173 -11.178 -4.044 141 HD1 PHE 17 HD1 PHE 17 -1.968 -12.619 -6.289 142 HD2 PHE 17 HD2 PHE 17 -2.718 -9.940 -3.003 143 HE1 PHE 17 HE1 PHE 17 -4.256 -13.526 -6.061 144 HE2 PHE 17 HE2 PHE 17 -4.989 -10.851 -2.784 145 HZ PHE 17 HZ PHE 17 -5.769 -12.646 -4.302 146 H SER 18 HN SER 18 1.027 -8.956 -6.682 147 HA SER 18 HA SER 18 3.460 -8.935 -5.333 148 HB2 SER 18 HB1 SER 18 4.540 -8.327 -7.388 149 HB3 SER 18 HB2 SER 18 3.178 -9.419 -7.792 150 HG SER 18 HG1 SER 18 1.984 -7.358 -8.233 151 H LEU 19 HN LEU 19 1.464 -6.107 -6.267 152 HA LEU 19 HA LEU 19 3.279 -4.163 -5.376 153 HB2 LEU 19 HB1 LEU 19 0.216 -4.140 -5.531 154 HB3 LEU 19 HB2 LEU 19 1.207 -2.679 -5.210 155 HG LEU 19 HG LEU 19 1.437 -4.375 -7.759 156 HD11 LEU 19 HD11 LEU 19 0.150 -2.554 -8.865 157 HD12 LEU 19 HD12 LEU 19 -0.073 -1.727 -7.278 158 HD13 LEU 19 HD13 LEU 19 -0.826 -3.342 -7.570 159 HD21 LEU 19 HD21 LEU 19 3.507 -3.075 -7.275 160 HD22 LEU 19 HD22 LEU 19 2.525 -1.572 -7.056 161 HD23 LEU 19 HD23 LEU 19 2.620 -2.370 -8.669 162 H VAL 20 HN VAL 20 0.697 -5.890 -3.502 163 HA VAL 20 HA VAL 20 1.379 -4.254 -1.203 164 HB VAL 20 HB VAL 20 -0.908 -4.663 -1.658 165 HG11 VAL 20 HG11 VAL 20 -0.773 -7.026 -2.545 166 HG12 VAL 20 HG12 VAL 20 -0.471 -7.615 -0.859 167 HG13 VAL 20 HG13 VAL 20 -2.014 -6.798 -1.265 168 HG21 VAL 20 HG21 VAL 20 -0.076 -4.124 0.648 169 HG22 VAL 20 HG22 VAL 20 -1.557 -5.143 0.678 170 HG23 VAL 20 HG23 VAL 20 0.041 -5.888 1.021 171 H THR 21 HN THR 21 1.644 -7.848 -1.817 172 HA THR 21 HA THR 21 2.938 -8.035 0.802 173 HB THR 21 HB THR 21 1.084 -9.462 0.667 174 HG1 THR 21 HG1 THR 21 3.452 -10.932 0.363 175 HG21 THR 21 HG21 THR 21 2.415 -10.714 -1.828 176 HG22 THR 21 HG22 THR 21 0.812 -9.882 -1.727 177 HG23 THR 21 HG23 THR 21 1.060 -11.451 -0.896 178 H LYS 22 HN LYS 22 4.573 -6.801 -0.637 179 HA LYS 22 HA LYS 22 6.523 -8.157 -2.109 180 HB2 LYS 22 HB1 LYS 22 6.773 -5.757 -0.201 181 HB3 LYS 22 HB2 LYS 22 7.944 -6.161 -1.498 182 HG2 LYS 22 HG1 LYS 22 6.348 -5.688 -3.246 183 HG3 LYS 22 HG2 LYS 22 4.977 -5.537 -2.135 184 HD2 LYS 22 HD1 LYS 22 7.435 -3.676 -2.177 185 HD3 LYS 22 HD2 LYS 22 5.877 -3.336 -2.978 186 HE2 LYS 22 HE1 LYS 22 6.283 -3.622 0.092 187 HE3 LYS 22 HE2 LYS 22 6.078 -2.094 -0.844 188 HZ1 LYS 22 HZ1 LYS 22 3.949 -3.430 -1.655 189 HZ2 LYS 22 HZ2 LYS 22 3.960 -2.404 -0.342 190 HZ3 LYS 22 HZ3 LYS 22 4.046 -4.094 -0.124 191 H LYS 23 HN LYS 23 6.218 -7.685 1.429 192 HA LYS 23 HA LYS 23 7.927 -9.974 1.853 193 HB2 LYS 23 HB1 LYS 23 9.502 -8.044 2.013 194 HB3 LYS 23 HB2 LYS 23 8.431 -7.220 3.178 195 HG2 LYS 23 HG1 LYS 23 9.647 -9.989 3.772 196 HG3 LYS 23 HG2 LYS 23 10.602 -8.493 3.982 197 HD2 LYS 23 HD1 LYS 23 8.996 -7.578 5.615 198 HD3 LYS 23 HD2 LYS 23 7.915 -8.979 5.379 199 HE2 LYS 23 HE1 LYS 23 9.915 -10.474 6.182 200 HE3 LYS 23 HE2 LYS 23 10.666 -8.937 6.776 201 HZ1 LYS 23 HZ1 LYS 23 8.585 -8.558 8.044 202 HZ2 LYS 23 HZ2 LYS 23 9.328 -10.025 8.484 203 HZ3 LYS 23 HZ3 LYS 23 7.989 -10.027 7.454 204 H SER 24 HN SER 24 6.872 -11.236 3.399 205 HA SER 24 HA SER 24 4.788 -9.879 5.038 206 HB2 SER 24 HB1 SER 24 3.707 -11.190 3.245 207 HB3 SER 24 HB2 SER 24 4.596 -12.664 3.766 208 HG SER 24 HG1 SER 24 2.399 -12.371 4.633 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 -14.064 -27.943 0.112 2 HA PHE 1 HA PHE 1 -13.145 -27.723 -2.413 3 HB2 PHE 1 HB1 PHE 1 -14.544 -25.545 -0.737 4 HB3 PHE 1 HB2 PHE 1 -14.422 -25.516 -2.543 5 HD1 PHE 1 HD1 PHE 1 -15.190 -27.661 -3.802 6 HD2 PHE 1 HD2 PHE 1 -16.407 -26.660 0.201 7 HE1 PHE 1 HE1 PHE 1 -17.149 -29.156 -4.022 8 HE2 PHE 1 HE2 PHE 1 -18.365 -28.156 -0.026 9 HZ PHE 1 HZ PHE 1 -18.738 -29.405 -2.133 10 H LEU 2 HN LEU 2 -12.649 -24.785 -2.747 11 HA LEU 2 HA LEU 2 -9.932 -24.564 -1.743 12 HB2 LEU 2 HB1 LEU 2 -10.675 -24.552 -4.754 13 HB3 LEU 2 HB2 LEU 2 -9.099 -24.046 -4.080 14 HG LEU 2 HG LEU 2 -9.176 -26.559 -3.049 15 HD11 LEU 2 HD11 LEU 2 -11.365 -27.181 -4.170 16 HD12 LEU 2 HD12 LEU 2 -9.990 -28.152 -4.812 17 HD13 LEU 2 HD13 LEU 2 -10.639 -26.774 -5.767 18 HD21 LEU 2 HD21 LEU 2 -7.694 -27.217 -4.948 19 HD22 LEU 2 HD22 LEU 2 -7.329 -25.548 -4.378 20 HD23 LEU 2 HD23 LEU 2 -8.269 -25.801 -5.897 21 HA PRO 3 HA PRO 3 -11.590 -20.542 -1.721 22 HB2 PRO 3 HB1 PRO 3 -9.419 -18.820 -1.625 23 HB3 PRO 3 HB2 PRO 3 -9.799 -20.010 -0.324 24 HG2 PRO 3 HG1 PRO 3 -7.827 -20.380 -2.647 25 HG3 PRO 3 HG2 PRO 3 -7.521 -20.630 -0.877 26 HD2 PRO 3 HD1 PRO 3 -8.175 -22.732 -2.527 27 HD3 PRO 3 HD2 PRO 3 -8.895 -22.620 -0.855 28 H ILE 4 HN ILE 4 -12.811 -20.173 -3.506 29 HA ILE 4 HA ILE 4 -11.969 -19.918 -6.094 30 HB ILE 4 HB ILE 4 -14.468 -18.667 -4.876 31 HG12 ILE 4 HG11 ILE 4 -14.407 -20.983 -4.118 32 HG13 ILE 4 HG12 ILE 4 -15.610 -20.789 -5.413 33 HG21 ILE 4 HG21 ILE 4 -15.434 -19.136 -7.166 34 HG22 ILE 4 HG22 ILE 4 -14.108 -17.930 -7.222 35 HG23 ILE 4 HG23 ILE 4 -13.803 -19.629 -7.743 36 HD11 ILE 4 HD1 ILE 4 -13.994 -21.814 -7.078 37 HD12 ILE 4 HD2 ILE 4 -12.806 -22.064 -5.737 38 HD13 ILE 4 HD3 ILE 4 -14.389 -22.910 -5.711 39 H LEU 5 HN LEU 5 -12.579 -17.225 -3.790 40 HA LEU 5 HA LEU 5 -12.144 -15.142 -5.572 41 HB2 LEU 5 HB1 LEU 5 -11.585 -15.268 -2.541 42 HB3 LEU 5 HB2 LEU 5 -11.634 -13.776 -3.524 43 HG LEU 5 HG LEU 5 -13.634 -13.859 -2.332 44 HD11 LEU 5 HD11 LEU 5 -15.381 -13.798 -4.051 45 HD12 LEU 5 HD12 LEU 5 -14.381 -14.777 -5.178 46 HD13 LEU 5 HD13 LEU 5 -13.852 -13.114 -4.711 47 HD21 LEU 5 HD21 LEU 5 -14.398 -16.642 -3.392 48 HD22 LEU 5 HD22 LEU 5 -15.288 -15.606 -2.234 49 HD23 LEU 5 HD23 LEU 5 -13.706 -16.306 -1.746 50 H ALA 6 HN ALA 6 -9.733 -16.880 -3.529 51 HA ALA 6 HA ALA 6 -7.524 -15.316 -4.354 52 HB1 ALA 6 HB1 ALA 6 -6.174 -17.192 -3.397 53 HB2 ALA 6 HB2 ALA 6 -7.525 -16.749 -2.298 54 HB3 ALA 6 HB3 ALA 6 -7.656 -18.219 -3.333 55 H SER 7 HN SER 7 -8.891 -18.377 -5.628 56 HA SER 7 HA SER 7 -6.990 -18.793 -7.655 57 HB2 SER 7 HB1 SER 7 -8.649 -20.515 -6.937 58 HB3 SER 7 HB2 SER 7 -9.972 -19.547 -7.659 59 HG SER 7 HG1 SER 7 -9.079 -21.323 -8.944 60 H LEU 8 HN LEU 8 -10.070 -16.892 -7.811 61 HA LEU 8 HA LEU 8 -9.704 -16.137 -10.521 62 HB2 LEU 8 HB1 LEU 8 -11.883 -16.075 -9.311 63 HB3 LEU 8 HB2 LEU 8 -11.242 -14.832 -8.205 64 HG LEU 8 HG LEU 8 -11.035 -13.225 -10.117 65 HD11 LEU 8 HD11 LEU 8 -12.352 -15.462 -11.792 66 HD12 LEU 8 HD12 LEU 8 -10.695 -14.775 -12.037 67 HD13 LEU 8 HD13 LEU 8 -12.146 -13.751 -12.305 68 HD21 LEU 8 HD21 LEU 8 -13.469 -12.841 -10.427 69 HD22 LEU 8 HD22 LEU 8 -13.099 -13.292 -8.722 70 HD23 LEU 8 HD23 LEU 8 -13.824 -14.507 -9.843 71 H ALA 9 HN ALA 9 -8.960 -14.365 -7.440 72 HA ALA 9 HA ALA 9 -8.054 -12.068 -8.696 73 HB1 ALA 9 HB1 ALA 9 -7.210 -11.449 -6.429 74 HB2 ALA 9 HB2 ALA 9 -8.842 -12.199 -6.330 75 HB3 ALA 9 HB3 ALA 9 -7.391 -13.169 -5.902 76 H ALA 10 HN ALA 10 -6.068 -14.868 -7.493 77 HA ALA 10 HA ALA 10 -3.640 -13.525 -8.166 78 HB1 ALA 10 HB1 ALA 10 -4.215 -16.469 -7.489 79 HB2 ALA 10 HB2 ALA 10 -2.585 -15.690 -7.517 80 HB3 ALA 10 HB3 ALA 10 -3.812 -15.175 -6.304 81 H LYS 11 HN LYS 11 -5.902 -15.305 -10.053 82 HA LYS 11 HA LYS 11 -3.937 -15.949 -12.133 83 HB2 LYS 11 HB1 LYS 11 -5.644 -17.548 -11.549 84 HB3 LYS 11 HB2 LYS 11 -6.956 -16.354 -11.852 85 HG2 LYS 11 HG1 LYS 11 -6.661 -16.463 -14.223 86 HG3 LYS 11 HG2 LYS 11 -5.023 -17.152 -14.090 87 HD2 LYS 11 HD1 LYS 11 -6.746 -18.756 -14.904 88 HD3 LYS 11 HD2 LYS 11 -5.810 -19.341 -13.512 89 HE2 LYS 11 HE1 LYS 11 -8.633 -18.092 -13.171 90 HE3 LYS 11 HE2 LYS 11 -8.384 -19.825 -13.614 91 HZ1 LYS 11 HZ1 LYS 11 -6.929 -19.977 -11.596 92 HZ2 LYS 11 HZ2 LYS 11 -8.568 -19.739 -11.264 93 HZ3 LYS 11 HZ3 LYS 11 -7.503 -18.467 -11.121 94 H PHE 12 HN PHE 12 -6.853 -13.788 -11.798 95 HA PHE 12 HA PHE 12 -6.355 -12.497 -14.277 96 HB2 PHE 12 HB1 PHE 12 -8.602 -12.611 -13.119 97 HB3 PHE 12 HB2 PHE 12 -7.964 -11.571 -11.802 98 HD1 PHE 12 HD1 PHE 12 -8.291 -9.254 -12.009 99 HD2 PHE 12 HD2 PHE 12 -8.349 -11.662 -15.569 100 HE1 PHE 12 HE1 PHE 12 -8.927 -7.266 -13.347 101 HE2 PHE 12 HE2 PHE 12 -8.980 -9.675 -16.901 102 HZ PHE 12 HZ PHE 12 -9.268 -7.477 -15.794 103 H GLY 13 HN GLY 13 -5.437 -11.711 -10.898 104 HA2 GLY 13 HA1 GLY 13 -3.768 -9.479 -11.889 105 HA3 GLY 13 HA2 GLY 13 -4.885 -9.393 -10.489 106 HA PRO 14 HA PRO 14 -1.256 -11.867 -8.687 107 HB2 PRO 14 HB1 PRO 14 0.940 -12.520 -10.299 108 HB3 PRO 14 HB2 PRO 14 -0.493 -13.600 -10.118 109 HG2 PRO 14 HG1 PRO 14 -0.001 -11.560 -12.357 110 HG3 PRO 14 HG2 PRO 14 -0.439 -13.313 -12.511 111 HD2 PRO 14 HD1 PRO 14 -2.392 -11.388 -12.635 112 HD3 PRO 14 HD2 PRO 14 -2.683 -12.928 -11.735 113 H LYS 15 HN LYS 15 -0.961 -9.497 -11.140 114 HA LYS 15 HA LYS 15 1.155 -7.921 -10.375 115 HB2 LYS 15 HB1 LYS 15 -1.628 -7.029 -11.400 116 HB3 LYS 15 HB2 LYS 15 -0.110 -6.084 -11.463 117 HG2 LYS 15 HG1 LYS 15 0.033 -6.831 -13.589 118 HG3 LYS 15 HG2 LYS 15 0.777 -8.244 -12.815 119 HD2 LYS 15 HD1 LYS 15 -0.694 -9.153 -14.380 120 HD3 LYS 15 HD2 LYS 15 -1.620 -9.330 -12.856 121 HE2 LYS 15 HE1 LYS 15 -3.043 -7.348 -13.492 122 HE3 LYS 15 HE2 LYS 15 -2.006 -7.064 -14.944 123 HZ1 LYS 15 HZ1 LYS 15 -2.686 -9.301 -15.732 124 HZ2 LYS 15 HZ2 LYS 15 -3.965 -8.209 -15.599 125 HZ3 LYS 15 HZ3 LYS 15 -3.789 -9.424 -14.464 126 H LEU 16 HN LEU 16 -2.199 -7.918 -8.897 127 HA LEU 16 HA LEU 16 -1.565 -5.656 -7.281 128 HB2 LEU 16 HB1 LEU 16 -3.693 -5.823 -6.289 129 HB3 LEU 16 HB2 LEU 16 -3.869 -6.221 -8.016 130 HG LEU 16 HG LEU 16 -3.617 -8.764 -7.012 131 HD11 LEU 16 HD11 LEU 16 -3.450 -8.012 -4.608 132 HD12 LEU 16 HD12 LEU 16 -4.945 -8.961 -4.914 133 HD13 LEU 16 HD13 LEU 16 -5.034 -7.167 -4.777 134 HD21 LEU 16 HD21 LEU 16 -6.215 -7.108 -7.068 135 HD22 LEU 16 HD22 LEU 16 -6.090 -8.906 -7.120 136 HD23 LEU 16 HD23 LEU 16 -5.441 -7.923 -8.483 137 H PHE 17 HN PHE 17 -1.443 -9.169 -6.716 138 HA PHE 17 HA PHE 17 -0.732 -9.063 -4.000 139 HB2 PHE 17 HB1 PHE 17 -0.171 -11.169 -6.186 140 HB3 PHE 17 HB2 PHE 17 0.224 -11.413 -4.442 141 HD1 PHE 17 HD1 PHE 17 -2.504 -11.198 -6.915 142 HD2 PHE 17 HD2 PHE 17 -1.537 -11.472 -2.738 143 HE1 PHE 17 HE1 PHE 17 -4.841 -11.784 -6.416 144 HE2 PHE 17 HE2 PHE 17 -3.879 -12.098 -2.237 145 HZ PHE 17 HZ PHE 17 -5.541 -12.255 -4.075 146 H SER 18 HN SER 18 1.317 -9.099 -6.937 147 HA SER 18 HA SER 18 3.800 -9.024 -5.657 148 HB2 SER 18 HB1 SER 18 3.411 -9.443 -8.126 149 HB3 SER 18 HB2 SER 18 2.988 -7.714 -8.322 150 HG SER 18 HG1 SER 18 5.511 -8.828 -7.581 151 H LEU 19 HN LEU 19 1.683 -6.244 -6.599 152 HA LEU 19 HA LEU 19 3.420 -4.264 -5.642 153 HB2 LEU 19 HB1 LEU 19 0.369 -4.337 -5.890 154 HB3 LEU 19 HB2 LEU 19 1.273 -2.850 -5.455 155 HG LEU 19 HG LEU 19 1.730 -4.403 -8.061 156 HD11 LEU 19 HD11 LEU 19 -0.002 -1.901 -7.546 157 HD12 LEU 19 HD12 LEU 19 -0.607 -3.551 -7.961 158 HD13 LEU 19 HD13 LEU 19 0.372 -2.623 -9.156 159 HD21 LEU 19 HD21 LEU 19 2.565 -1.564 -7.183 160 HD22 LEU 19 HD22 LEU 19 2.808 -2.281 -8.818 161 HD23 LEU 19 HD23 LEU 19 3.669 -2.980 -7.404 162 H VAL 20 HN VAL 20 0.848 -6.051 -3.800 163 HA VAL 20 HA VAL 20 1.473 -4.404 -1.498 164 HB VAL 20 HB VAL 20 -0.803 -4.902 -2.016 165 HG11 VAL 20 HG11 VAL 20 -1.842 -7.052 -1.555 166 HG12 VAL 20 HG12 VAL 20 -0.548 -7.307 -2.777 167 HG13 VAL 20 HG13 VAL 20 -0.287 -7.791 -1.052 168 HG21 VAL 20 HG21 VAL 20 -1.478 -5.306 0.332 169 HG22 VAL 20 HG22 VAL 20 0.148 -5.956 0.734 170 HG23 VAL 20 HG23 VAL 20 -0.047 -4.219 0.273 171 H THR 21 HN THR 21 1.893 -7.991 -2.121 172 HA THR 21 HA THR 21 3.024 -8.110 0.580 173 HB THR 21 HB THR 21 1.145 -9.488 0.364 174 HG1 THR 21 HG1 THR 21 3.250 -11.288 0.348 175 HG21 THR 21 HG21 THR 21 2.668 -11.002 -1.862 176 HG22 THR 21 HG22 THR 21 1.101 -10.112 -2.014 177 HG23 THR 21 HG23 THR 21 1.201 -11.594 -1.007 178 H LYS 22 HN LYS 22 4.803 -6.956 -0.520 179 HA LYS 22 HA LYS 22 6.616 -8.355 -2.163 180 HB2 LYS 22 HB1 LYS 22 6.975 -5.906 -0.356 181 HB3 LYS 22 HB2 LYS 22 8.105 -6.377 -1.667 182 HG2 LYS 22 HG1 LYS 22 6.475 -6.000 -3.393 183 HG3 LYS 22 HG2 LYS 22 5.125 -5.794 -2.267 184 HD2 LYS 22 HD1 LYS 22 7.575 -3.929 -2.452 185 HD3 LYS 22 HD2 LYS 22 6.009 -3.644 -3.262 186 HE2 LYS 22 HE1 LYS 22 6.431 -3.753 -0.182 187 HE3 LYS 22 HE2 LYS 22 6.221 -2.280 -1.202 188 HZ1 LYS 22 HZ1 LYS 22 4.114 -2.590 -0.602 189 HZ2 LYS 22 HZ2 LYS 22 4.189 -4.283 -0.427 190 HZ3 LYS 22 HZ3 LYS 22 4.084 -3.585 -1.941 191 H LYS 23 HN LYS 23 6.138 -8.673 1.225 192 HA LYS 23 HA LYS 23 8.861 -9.816 1.543 193 HB2 LYS 23 HB1 LYS 23 8.099 -7.696 2.947 194 HB3 LYS 23 HB2 LYS 23 7.154 -8.883 3.886 195 HG2 LYS 23 HG1 LYS 23 9.688 -10.112 3.770 196 HG3 LYS 23 HG2 LYS 23 10.138 -8.393 3.668 197 HD2 LYS 23 HD1 LYS 23 10.248 -8.959 5.966 198 HD3 LYS 23 HD2 LYS 23 8.723 -8.022 5.815 199 HE2 LYS 23 HE1 LYS 23 7.399 -10.174 5.853 200 HE3 LYS 23 HE2 LYS 23 8.931 -11.128 5.851 201 HZ1 LYS 23 HZ1 LYS 23 8.063 -9.242 7.995 202 HZ2 LYS 23 HZ2 LYS 23 9.495 -10.148 7.978 203 HZ3 LYS 23 HZ3 LYS 23 8.000 -10.935 8.054 204 H SER 24 HN SER 24 5.972 -11.038 0.731 205 HA SER 24 HA SER 24 6.542 -13.480 2.124 206 HB2 SER 24 HB1 SER 24 5.122 -12.298 3.870 207 HB3 SER 24 HB2 SER 24 3.782 -12.231 2.671 208 HG SER 24 HG1 SER 24 3.616 -14.084 4.007 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 -13.674 -28.059 0.729 2 HA PHE 1 HA PHE 1 -13.975 -27.353 -2.019 3 HB2 PHE 1 HB1 PHE 1 -14.622 -25.054 -1.131 4 HB3 PHE 1 HB2 PHE 1 -15.581 -26.399 -0.438 5 HD1 PHE 1 HD1 PHE 1 -15.390 -27.034 1.886 6 HD2 PHE 1 HD2 PHE 1 -12.949 -23.878 0.280 7 HE1 PHE 1 HE1 PHE 1 -14.780 -26.333 4.180 8 HE2 PHE 1 HE2 PHE 1 -12.342 -23.184 2.577 9 HZ PHE 1 HZ PHE 1 -13.254 -24.414 4.527 10 H LEU 2 HN LEU 2 -12.917 -24.805 -2.277 11 HA LEU 2 HA LEU 2 -10.101 -24.942 -1.628 12 HB2 LEU 2 HB1 LEU 2 -11.165 -24.665 -4.528 13 HB3 LEU 2 HB2 LEU 2 -9.491 -24.304 -4.013 14 HG LEU 2 HG LEU 2 -9.606 -26.861 -3.136 15 HD11 LEU 2 HD11 LEU 2 -11.958 -27.291 -3.973 16 HD12 LEU 2 HD12 LEU 2 -10.749 -28.298 -4.844 17 HD13 LEU 2 HD13 LEU 2 -11.433 -26.835 -5.635 18 HD21 LEU 2 HD21 LEU 2 -7.890 -25.883 -4.652 19 HD22 LEU 2 HD22 LEU 2 -9.042 -25.990 -6.039 20 HD23 LEU 2 HD23 LEU 2 -8.439 -27.491 -5.250 21 HA PRO 3 HA PRO 3 -11.299 -20.603 -1.413 22 HB2 PRO 3 HB1 PRO 3 -8.911 -19.237 -1.581 23 HB3 PRO 3 HB2 PRO 3 -9.330 -20.292 -0.181 24 HG2 PRO 3 HG1 PRO 3 -7.664 -21.075 -2.636 25 HG3 PRO 3 HG2 PRO 3 -7.210 -21.246 -0.888 26 HD2 PRO 3 HD1 PRO 3 -8.323 -23.339 -2.301 27 HD3 PRO 3 HD2 PRO 3 -8.807 -23.034 -0.572 28 H ILE 4 HN ILE 4 -12.530 -20.872 -3.422 29 HA ILE 4 HA ILE 4 -11.536 -20.658 -5.953 30 HB ILE 4 HB ILE 4 -14.275 -19.697 -5.018 31 HG12 ILE 4 HG11 ILE 4 -13.948 -21.949 -4.139 32 HG13 ILE 4 HG12 ILE 4 -15.080 -21.973 -5.505 33 HG21 ILE 4 HG21 ILE 4 -13.854 -19.023 -7.371 34 HG22 ILE 4 HG22 ILE 4 -13.253 -20.674 -7.774 35 HG23 ILE 4 HG23 ILE 4 -14.979 -20.419 -7.344 36 HD11 ILE 4 HD1 ILE 4 -13.549 -23.919 -5.615 37 HD12 ILE 4 HD2 ILE 4 -13.269 -22.848 -7.029 38 HD13 ILE 4 HD3 ILE 4 -12.109 -22.844 -5.643 39 H LEU 5 HN LEU 5 -12.757 -17.867 -4.001 40 HA LEU 5 HA LEU 5 -12.452 -15.962 -6.001 41 HB2 LEU 5 HB1 LEU 5 -12.243 -15.629 -2.943 42 HB3 LEU 5 HB2 LEU 5 -12.410 -14.295 -4.121 43 HG LEU 5 HG LEU 5 -14.500 -14.579 -3.133 44 HD11 LEU 5 HD11 LEU 5 -14.542 -14.170 -5.602 45 HD12 LEU 5 HD12 LEU 5 -16.014 -15.021 -5.010 46 HD13 LEU 5 HD13 LEU 5 -14.744 -15.942 -5.887 47 HD21 LEU 5 HD21 LEU 5 -14.255 -16.917 -2.230 48 HD22 LEU 5 HD22 LEU 5 -14.683 -17.557 -3.875 49 HD23 LEU 5 HD23 LEU 5 -15.859 -16.561 -2.963 50 H ALA 6 HN ALA 6 -10.055 -17.000 -3.529 51 HA ALA 6 HA ALA 6 -8.047 -15.174 -4.312 52 HB1 ALA 6 HB1 ALA 6 -6.533 -16.667 -3.002 53 HB2 ALA 6 HB2 ALA 6 -8.069 -16.390 -2.111 54 HB3 ALA 6 HB3 ALA 6 -7.805 -17.946 -2.984 55 H SER 7 HN SER 7 -8.746 -18.545 -5.361 56 HA SER 7 HA SER 7 -6.547 -18.691 -7.126 57 HB2 SER 7 HB1 SER 7 -7.895 -20.686 -6.354 58 HB3 SER 7 HB2 SER 7 -9.194 -20.187 -7.485 59 HG SER 7 HG1 SER 7 -7.771 -21.714 -8.409 60 H LEU 8 HN LEU 8 -9.942 -17.614 -7.761 61 HA LEU 8 HA LEU 8 -9.627 -17.154 -10.494 62 HB2 LEU 8 HB1 LEU 8 -11.765 -17.376 -9.215 63 HB3 LEU 8 HB2 LEU 8 -11.480 -15.797 -8.440 64 HG LEU 8 HG LEU 8 -13.179 -15.909 -10.312 65 HD11 LEU 8 HD11 LEU 8 -12.708 -13.750 -11.295 66 HD12 LEU 8 HD12 LEU 8 -10.963 -13.861 -10.902 67 HD13 LEU 8 HD13 LEU 8 -12.182 -13.730 -9.573 68 HD21 LEU 8 HD21 LEU 8 -10.768 -16.081 -12.224 69 HD22 LEU 8 HD22 LEU 8 -12.499 -15.902 -12.665 70 HD23 LEU 8 HD23 LEU 8 -11.934 -17.421 -11.880 71 H ALA 9 HN ALA 9 -9.224 -14.868 -7.721 72 HA ALA 9 HA ALA 9 -8.445 -12.652 -9.195 73 HB1 ALA 9 HB1 ALA 9 -7.451 -11.876 -7.015 74 HB2 ALA 9 HB2 ALA 9 -9.080 -12.608 -6.780 75 HB3 ALA 9 HB3 ALA 9 -7.611 -13.559 -6.372 76 H ALA 10 HN ALA 10 -6.460 -15.386 -8.011 77 HA ALA 10 HA ALA 10 -4.019 -14.310 -8.971 78 HB1 ALA 10 HB1 ALA 10 -4.144 -15.938 -7.112 79 HB2 ALA 10 HB2 ALA 10 -4.819 -17.179 -8.221 80 HB3 ALA 10 HB3 ALA 10 -3.119 -16.581 -8.445 81 H LYS 11 HN LYS 11 -6.610 -15.712 -10.826 82 HA LYS 11 HA LYS 11 -4.737 -16.177 -13.088 83 HB2 LYS 11 HB1 LYS 11 -7.750 -16.628 -12.738 84 HB3 LYS 11 HB2 LYS 11 -7.050 -16.373 -14.356 85 HG2 LYS 11 HG1 LYS 11 -7.280 -18.638 -14.203 86 HG3 LYS 11 HG2 LYS 11 -5.527 -18.350 -14.081 87 HD2 LYS 11 HD1 LYS 11 -7.267 -18.625 -11.582 88 HD3 LYS 11 HD2 LYS 11 -6.861 -20.102 -12.505 89 HE2 LYS 11 HE1 LYS 11 -4.533 -20.008 -12.037 90 HE3 LYS 11 HE2 LYS 11 -4.577 -18.247 -11.644 91 HZ1 LYS 11 HZ1 LYS 11 -5.851 -20.391 -9.997 92 HZ2 LYS 11 HZ2 LYS 11 -5.936 -18.746 -9.755 93 HZ3 LYS 11 HZ3 LYS 11 -4.426 -19.519 -9.635 94 H PHE 12 HN PHE 12 -7.587 -14.166 -12.185 95 HA PHE 12 HA PHE 12 -7.517 -12.607 -14.479 96 HB2 PHE 12 HB1 PHE 12 -9.477 -13.063 -12.910 97 HB3 PHE 12 HB2 PHE 12 -8.724 -11.967 -11.702 98 HD1 PHE 12 HD1 PHE 12 -9.277 -9.675 -11.796 99 HD2 PHE 12 HD2 PHE 12 -9.898 -12.097 -15.291 100 HE1 PHE 12 HE1 PHE 12 -10.415 -7.776 -12.913 101 HE2 PHE 12 HE2 PHE 12 -11.029 -10.200 -16.406 102 HZ PHE 12 HZ PHE 12 -11.289 -8.039 -15.220 103 H GLY 13 HN GLY 13 -6.085 -11.884 -11.252 104 HA2 GLY 13 HA1 GLY 13 -4.545 -9.732 -12.515 105 HA3 GLY 13 HA2 GLY 13 -5.669 -9.342 -11.171 106 HA PRO 14 HA PRO 14 -2.515 -11.902 -8.870 107 HB2 PRO 14 HB1 PRO 14 -0.274 -13.070 -10.114 108 HB3 PRO 14 HB2 PRO 14 -1.888 -13.871 -10.063 109 HG2 PRO 14 HG1 PRO 14 -0.773 -12.136 -12.340 110 HG3 PRO 14 HG2 PRO 14 -1.482 -13.805 -12.443 111 HD2 PRO 14 HD1 PRO 14 -3.051 -11.611 -12.953 112 HD3 PRO 14 HD2 PRO 14 -3.700 -12.993 -11.974 113 H LYS 15 HN LYS 15 -1.759 -9.582 -11.143 114 HA LYS 15 HA LYS 15 0.657 -8.467 -10.250 115 HB2 LYS 15 HB1 LYS 15 -1.850 -6.982 -11.234 116 HB3 LYS 15 HB2 LYS 15 -0.165 -6.399 -11.342 117 HG2 LYS 15 HG1 LYS 15 -1.365 -8.799 -12.907 118 HG3 LYS 15 HG2 LYS 15 -1.226 -7.125 -13.493 119 HD2 LYS 15 HD1 LYS 15 1.266 -7.225 -13.265 120 HD3 LYS 15 HD2 LYS 15 1.143 -8.952 -12.777 121 HE2 LYS 15 HE1 LYS 15 0.085 -9.520 -14.991 122 HE3 LYS 15 HE2 LYS 15 0.115 -7.778 -15.466 123 HZ1 LYS 15 HZ1 LYS 15 2.510 -9.468 -14.907 124 HZ2 LYS 15 HZ2 LYS 15 2.521 -7.834 -15.362 125 HZ3 LYS 15 HZ3 LYS 15 1.934 -9.005 -16.429 126 H LEU 16 HN LEU 16 -2.737 -8.121 -8.992 127 HA LEU 16 HA LEU 16 -2.119 -5.955 -7.309 128 HB2 LEU 16 HB1 LEU 16 -4.309 -6.137 -6.393 129 HB3 LEU 16 HB2 LEU 16 -4.381 -6.469 -8.141 130 HG LEU 16 HG LEU 16 -4.223 -9.047 -7.264 131 HD11 LEU 16 HD11 LEU 16 -5.736 -7.569 -5.008 132 HD12 LEU 16 HD12 LEU 16 -4.168 -8.431 -4.801 133 HD13 LEU 16 HD13 LEU 16 -5.647 -9.352 -5.245 134 HD21 LEU 16 HD21 LEU 16 -6.787 -7.335 -7.332 135 HD22 LEU 16 HD22 LEU 16 -6.697 -9.131 -7.482 136 HD23 LEU 16 HD23 LEU 16 -5.967 -8.088 -8.754 137 H PHE 17 HN PHE 17 -2.102 -9.472 -6.646 138 HA PHE 17 HA PHE 17 -1.510 -9.254 -3.905 139 HB2 PHE 17 HB1 PHE 17 -0.785 -11.462 -5.942 140 HB3 PHE 17 HB2 PHE 17 -0.611 -11.631 -4.152 141 HD1 PHE 17 HD1 PHE 17 -2.681 -12.534 -6.745 142 HD2 PHE 17 HD2 PHE 17 -2.873 -10.742 -2.842 143 HE1 PHE 17 HE1 PHE 17 -5.027 -13.286 -6.510 144 HE2 PHE 17 HE2 PHE 17 -5.217 -11.483 -2.616 145 HZ PHE 17 HZ PHE 17 -6.301 -12.757 -4.447 146 H SER 18 HN SER 18 0.653 -9.436 -6.734 147 HA SER 18 HA SER 18 3.087 -9.353 -5.308 148 HB2 SER 18 HB1 SER 18 2.850 -10.041 -7.723 149 HB3 SER 18 HB2 SER 18 2.435 -8.349 -8.144 150 HG SER 18 HG1 SER 18 4.907 -9.237 -7.008 151 H LEU 19 HN LEU 19 1.068 -6.647 -6.602 152 HA LEU 19 HA LEU 19 2.816 -4.621 -5.752 153 HB2 LEU 19 HB1 LEU 19 -0.212 -4.677 -6.179 154 HB3 LEU 19 HB2 LEU 19 0.671 -3.167 -5.783 155 HG LEU 19 HG LEU 19 1.315 -4.897 -8.233 156 HD11 LEU 19 HD11 LEU 19 -0.449 -2.374 -8.029 157 HD12 LEU 19 HD12 LEU 19 -1.022 -4.049 -8.377 158 HD13 LEU 19 HD13 LEU 19 0.048 -3.199 -9.553 159 HD21 LEU 19 HD21 LEU 19 2.087 -2.004 -7.478 160 HD22 LEU 19 HD22 LEU 19 2.447 -2.813 -9.048 161 HD23 LEU 19 HD23 LEU 19 3.201 -3.425 -7.534 162 H VAL 20 HN VAL 20 0.087 -6.157 -3.892 163 HA VAL 20 HA VAL 20 0.648 -4.368 -1.709 164 HB VAL 20 HB VAL 20 -1.608 -5.043 -2.227 165 HG11 VAL 20 HG11 VAL 20 -1.191 -7.493 -2.718 166 HG12 VAL 20 HG12 VAL 20 -0.911 -7.772 -0.953 167 HG13 VAL 20 HG13 VAL 20 -2.513 -7.203 -1.531 168 HG21 VAL 20 HG21 VAL 20 -2.291 -5.231 0.152 169 HG22 VAL 20 HG22 VAL 20 -0.633 -5.737 0.628 170 HG23 VAL 20 HG23 VAL 20 -0.920 -4.076 -0.015 171 H THR 21 HN THR 21 1.339 -7.952 -2.114 172 HA THR 21 HA THR 21 2.761 -7.694 0.464 173 HB THR 21 HB THR 21 0.800 -9.078 0.693 174 HG1 THR 21 HG1 THR 21 1.961 -10.739 1.693 175 HG21 THR 21 HG21 THR 21 0.808 -11.397 -0.221 176 HG22 THR 21 HG22 THR 21 2.315 -11.062 -1.146 177 HG23 THR 21 HG23 THR 21 0.789 -10.203 -1.566 178 H LYS 22 HN LYS 22 4.771 -7.965 0.572 179 HA LYS 22 HA LYS 22 6.290 -9.126 -1.703 180 HB2 LYS 22 HB1 LYS 22 6.562 -6.315 -0.442 181 HB3 LYS 22 HB2 LYS 22 7.612 -6.961 -1.743 182 HG2 LYS 22 HG1 LYS 22 5.778 -6.945 -3.344 183 HG3 LYS 22 HG2 LYS 22 4.577 -6.475 -2.123 184 HD2 LYS 22 HD1 LYS 22 7.002 -4.767 -2.928 185 HD3 LYS 22 HD2 LYS 22 5.365 -4.597 -3.622 186 HE2 LYS 22 HE1 LYS 22 6.054 -4.160 -0.619 187 HE3 LYS 22 HE2 LYS 22 5.875 -2.875 -1.868 188 HZ1 LYS 22 HZ1 LYS 22 3.737 -4.611 -0.733 189 HZ2 LYS 22 HZ2 LYS 22 3.581 -3.923 -2.244 190 HZ3 LYS 22 HZ3 LYS 22 3.836 -2.931 -0.929 191 H LYS 23 HN LYS 23 5.791 -9.205 1.519 192 HA LYS 23 HA LYS 23 6.868 -8.947 3.429 193 HB2 LYS 23 HB1 LYS 23 7.190 -11.322 2.679 194 HB3 LYS 23 HB2 LYS 23 8.875 -10.887 2.258 195 HG2 LYS 23 HG1 LYS 23 9.307 -10.235 4.630 196 HG3 LYS 23 HG2 LYS 23 7.592 -10.556 5.061 197 HD2 LYS 23 HD1 LYS 23 7.897 -12.972 4.692 198 HD3 LYS 23 HD2 LYS 23 9.459 -12.694 3.874 199 HE2 LYS 23 HE1 LYS 23 9.826 -13.620 6.159 200 HE3 LYS 23 HE2 LYS 23 10.553 -11.977 5.970 201 HZ1 LYS 23 HZ1 LYS 23 8.630 -11.049 7.074 202 HZ2 LYS 23 HZ2 LYS 23 9.380 -12.207 8.055 203 HZ3 LYS 23 HZ3 LYS 23 7.932 -12.584 7.260 204 H SER 24 HN SER 24 7.421 -6.591 2.346 205 HA SER 24 HA SER 24 10.232 -6.088 2.250 206 HB2 SER 24 HB1 SER 24 7.941 -4.061 2.537 207 HB3 SER 24 HB2 SER 24 9.612 -3.708 1.977 208 HG SER 24 HG1 SER 24 9.171 -5.087 0.182 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 -14.501 -27.764 -0.776 2 HA PHE 1 HA PHE 1 -13.224 -27.216 -3.032 3 HB2 PHE 1 HB1 PHE 1 -14.788 -25.172 -1.322 4 HB3 PHE 1 HB2 PHE 1 -14.465 -24.981 -3.090 5 HD1 PHE 1 HD1 PHE 1 -15.137 -27.014 -4.605 6 HD2 PHE 1 HD2 PHE 1 -16.808 -26.216 -0.725 7 HE1 PHE 1 HE1 PHE 1 -17.125 -28.369 -5.182 8 HE2 PHE 1 HE2 PHE 1 -18.802 -27.557 -1.312 9 HZ PHE 1 HZ PHE 1 -18.962 -28.638 -3.536 10 H LEU 2 HN LEU 2 -12.617 -24.384 -3.192 11 HA LEU 2 HA LEU 2 -10.260 -24.033 -1.547 12 HB2 LEU 2 HB1 LEU 2 -10.211 -24.020 -4.652 13 HB3 LEU 2 HB2 LEU 2 -8.905 -23.411 -3.594 14 HG LEU 2 HG LEU 2 -9.002 -25.925 -2.621 15 HD11 LEU 2 HD11 LEU 2 -9.823 -26.250 -5.588 16 HD12 LEU 2 HD12 LEU 2 -10.833 -26.730 -4.177 17 HD13 LEU 2 HD13 LEU 2 -9.273 -27.572 -4.501 18 HD21 LEU 2 HD21 LEU 2 -6.999 -24.759 -3.529 19 HD22 LEU 2 HD22 LEU 2 -7.561 -25.081 -5.213 20 HD23 LEU 2 HD23 LEU 2 -7.092 -26.450 -4.143 21 HA PRO 3 HA PRO 3 -12.205 -20.071 -1.790 22 HB2 PRO 3 HB1 PRO 3 -10.084 -18.212 -1.728 23 HB3 PRO 3 HB2 PRO 3 -10.680 -19.149 -0.303 24 HG2 PRO 3 HG1 PRO 3 -8.356 -19.885 -2.169 25 HG3 PRO 3 HG2 PRO 3 -8.348 -19.809 -0.356 26 HD2 PRO 3 HD1 PRO 3 -8.701 -22.184 -1.664 27 HD3 PRO 3 HD2 PRO 3 -9.737 -21.807 -0.213 28 H ILE 4 HN ILE 4 -13.337 -19.483 -3.514 29 HA ILE 4 HA ILE 4 -12.396 -19.577 -6.115 30 HB ILE 4 HB ILE 4 -14.799 -18.014 -5.071 31 HG12 ILE 4 HG11 ILE 4 -14.982 -20.278 -4.180 32 HG13 ILE 4 HG12 ILE 4 -16.128 -20.042 -5.520 33 HG21 ILE 4 HG21 ILE 4 -15.732 -18.530 -7.365 34 HG22 ILE 4 HG22 ILE 4 -14.296 -17.459 -7.440 35 HG23 ILE 4 HG23 ILE 4 -14.138 -19.208 -7.849 36 HD11 ILE 4 HD1 ILE 4 -14.582 -21.315 -7.076 37 HD12 ILE 4 HD2 ILE 4 -13.456 -21.600 -5.690 38 HD13 ILE 4 HD3 ILE 4 -15.113 -22.287 -5.661 39 H LEU 5 HN LEU 5 -12.853 -16.706 -4.016 40 HA LEU 5 HA LEU 5 -12.214 -14.776 -5.896 41 HB2 LEU 5 HB1 LEU 5 -11.773 -14.736 -2.843 42 HB3 LEU 5 HB2 LEU 5 -11.709 -13.312 -3.921 43 HG LEU 5 HG LEU 5 -13.749 -13.208 -2.807 44 HD11 LEU 5 HD11 LEU 5 -14.452 -14.293 -5.605 45 HD12 LEU 5 HD12 LEU 5 -13.851 -12.629 -5.238 46 HD13 LEU 5 HD13 LEU 5 -15.434 -13.184 -4.587 47 HD21 LEU 5 HD21 LEU 5 -15.495 -14.857 -2.642 48 HD22 LEU 5 HD22 LEU 5 -13.967 -15.600 -2.052 49 HD23 LEU 5 HD23 LEU 5 -14.626 -16.019 -3.693 50 H ALA 6 HN ALA 6 -10.009 -16.518 -3.648 51 HA ALA 6 HA ALA 6 -7.668 -15.160 -4.443 52 HB1 ALA 6 HB1 ALA 6 -7.865 -16.515 -2.340 53 HB2 ALA 6 HB2 ALA 6 -8.051 -18.010 -3.334 54 HB3 ALA 6 HB3 ALA 6 -6.499 -17.089 -3.356 55 H SER 7 HN SER 7 -9.191 -18.173 -5.682 56 HA SER 7 HA SER 7 -7.190 -18.751 -7.576 57 HB2 SER 7 HB1 SER 7 -9.096 -20.308 -6.801 58 HB3 SER 7 HB2 SER 7 -10.177 -19.410 -7.901 59 HG SER 7 HG1 SER 7 -8.038 -21.142 -8.431 60 H LEU 8 HN LEU 8 -10.174 -16.762 -7.939 61 HA LEU 8 HA LEU 8 -9.756 -16.155 -10.666 62 HB2 LEU 8 HB1 LEU 8 -11.908 -16.007 -9.389 63 HB3 LEU 8 HB2 LEU 8 -11.272 -14.629 -8.459 64 HG LEU 8 HG LEU 8 -12.926 -14.148 -10.314 65 HD11 LEU 8 HD11 LEU 8 -10.287 -12.619 -10.698 66 HD12 LEU 8 HD12 LEU 8 -11.467 -12.351 -9.355 67 HD13 LEU 8 HD13 LEU 8 -11.952 -12.064 -11.066 68 HD21 LEU 8 HD21 LEU 8 -10.592 -14.670 -12.256 69 HD22 LEU 8 HD22 LEU 8 -12.225 -14.042 -12.659 70 HD23 LEU 8 HD23 LEU 8 -12.048 -15.727 -12.050 71 H ALA 9 HN ALA 9 -8.885 -14.336 -7.665 72 HA ALA 9 HA ALA 9 -7.751 -12.148 -8.923 73 HB1 ALA 9 HB1 ALA 9 -8.431 -12.210 -6.525 74 HB2 ALA 9 HB2 ALA 9 -7.124 -13.396 -6.183 75 HB3 ALA 9 HB3 ALA 9 -6.709 -11.710 -6.684 76 H ALA 10 HN ALA 10 -6.161 -15.220 -7.918 77 HA ALA 10 HA ALA 10 -3.559 -14.514 -8.560 78 HB1 ALA 10 HB1 ALA 10 -4.969 -17.247 -8.730 79 HB2 ALA 10 HB2 ALA 10 -3.179 -16.994 -8.651 80 HB3 ALA 10 HB3 ALA 10 -4.220 -16.539 -7.254 81 H LYS 11 HN LYS 11 -6.145 -15.622 -10.768 82 HA LYS 11 HA LYS 11 -4.281 -15.812 -13.007 83 HB2 LYS 11 HB1 LYS 11 -7.336 -15.926 -12.773 84 HB3 LYS 11 HB2 LYS 11 -6.448 -16.217 -14.306 85 HG2 LYS 11 HG1 LYS 11 -5.545 -18.284 -13.551 86 HG3 LYS 11 HG2 LYS 11 -5.765 -17.866 -11.826 87 HD2 LYS 11 HD1 LYS 11 -8.238 -17.897 -12.109 88 HD3 LYS 11 HD2 LYS 11 -8.048 -18.528 -13.780 89 HE2 LYS 11 HE1 LYS 11 -7.115 -20.628 -12.993 90 HE3 LYS 11 HE2 LYS 11 -6.742 -19.946 -11.359 91 HZ1 LYS 11 HZ1 LYS 11 -8.845 -21.425 -11.778 92 HZ2 LYS 11 HZ2 LYS 11 -9.539 -19.933 -12.212 93 HZ3 LYS 11 HZ3 LYS 11 -8.836 -20.146 -10.679 94 H PHE 12 HN PHE 12 -7.067 -13.656 -12.131 95 HA PHE 12 HA PHE 12 -6.677 -12.054 -14.443 96 HB2 PHE 12 HB1 PHE 12 -8.888 -12.473 -13.271 97 HB3 PHE 12 HB2 PHE 12 -8.310 -11.504 -11.875 98 HD1 PHE 12 HD1 PHE 12 -8.715 -9.177 -11.897 99 HD2 PHE 12 HD2 PHE 12 -8.849 -11.337 -15.611 100 HE1 PHE 12 HE1 PHE 12 -9.528 -7.140 -13.056 101 HE2 PHE 12 HE2 PHE 12 -9.657 -9.302 -16.765 102 HZ PHE 12 HZ PHE 12 -9.996 -7.204 -15.491 103 H GLY 13 HN GLY 13 -5.771 -11.595 -11.000 104 HA2 GLY 13 HA1 GLY 13 -4.503 -9.014 -11.709 105 HA3 GLY 13 HA2 GLY 13 -5.590 -9.277 -10.319 106 HA PRO 14 HA PRO 14 -2.105 -11.433 -8.380 107 HB2 PRO 14 HB1 PRO 14 0.117 -12.562 -9.665 108 HB3 PRO 14 HB2 PRO 14 -1.481 -13.395 -9.612 109 HG2 PRO 14 HG1 PRO 14 -0.421 -11.606 -11.874 110 HG3 PRO 14 HG2 PRO 14 -1.080 -13.295 -11.991 111 HD2 PRO 14 HD1 PRO 14 -2.732 -11.145 -12.455 112 HD3 PRO 14 HD2 PRO 14 -3.319 -12.566 -11.492 113 H LYS 15 HN LYS 15 -1.454 -9.230 -10.815 114 HA LYS 15 HA LYS 15 0.931 -8.007 -10.104 115 HB2 LYS 15 HB1 LYS 15 -1.639 -6.626 -11.114 116 HB3 LYS 15 HB2 LYS 15 0.050 -6.084 -11.337 117 HG2 LYS 15 HG1 LYS 15 -0.029 -7.053 -13.363 118 HG3 LYS 15 HG2 LYS 15 0.092 -8.630 -12.543 119 HD2 LYS 15 HD1 LYS 15 -2.489 -8.677 -12.474 120 HD3 LYS 15 HD2 LYS 15 -2.481 -7.132 -13.391 121 HE2 LYS 15 HE1 LYS 15 -1.239 -8.337 -15.287 122 HE3 LYS 15 HE2 LYS 15 -1.416 -9.879 -14.363 123 HZ1 LYS 15 HZ1 LYS 15 -3.877 -9.520 -14.482 124 HZ2 LYS 15 HZ2 LYS 15 -3.144 -9.699 -15.979 125 HZ3 LYS 15 HZ3 LYS 15 -3.617 -8.169 -15.443 126 H LEU 16 HN LEU 16 -2.362 -7.639 -8.650 127 HA LEU 16 HA LEU 16 -1.578 -5.483 -6.972 128 HB2 LEU 16 HB1 LEU 16 -3.703 -5.569 -5.956 129 HB3 LEU 16 HB2 LEU 16 -3.919 -5.898 -7.693 130 HG LEU 16 HG LEU 16 -3.797 -8.482 -6.792 131 HD11 LEU 16 HD11 LEU 16 -3.550 -7.834 -4.359 132 HD12 LEU 16 HD12 LEU 16 -5.096 -8.695 -4.680 133 HD13 LEU 16 HD13 LEU 16 -5.091 -6.906 -4.469 134 HD21 LEU 16 HD21 LEU 16 -6.281 -8.473 -6.849 135 HD22 LEU 16 HD22 LEU 16 -5.595 -7.481 -8.188 136 HD23 LEU 16 HD23 LEU 16 -6.292 -6.673 -6.730 137 H PHE 17 HN PHE 17 -1.565 -9.039 -6.522 138 HA PHE 17 HA PHE 17 -0.906 -8.973 -3.781 139 HB2 PHE 17 HB1 PHE 17 -0.263 -11.098 -5.922 140 HB3 PHE 17 HB2 PHE 17 -0.052 -11.337 -4.149 141 HD1 PHE 17 HD1 PHE 17 -1.955 -12.582 -6.478 142 HD2 PHE 17 HD2 PHE 17 -2.503 -10.156 -2.968 143 HE1 PHE 17 HE1 PHE 17 -4.262 -13.441 -6.236 144 HE2 PHE 17 HE2 PHE 17 -4.796 -11.010 -2.736 145 HZ PHE 17 HZ PHE 17 -5.687 -12.656 -4.359 146 H SER 18 HN SER 18 1.239 -9.113 -6.688 147 HA SER 18 HA SER 18 3.646 -9.086 -5.343 148 HB2 SER 18 HB1 SER 18 2.987 -7.670 -7.990 149 HB3 SER 18 HB2 SER 18 4.643 -8.093 -7.399 150 HG SER 18 HG1 SER 18 3.879 -9.691 -8.808 151 H LEU 19 HN LEU 19 1.574 -6.256 -6.161 152 HA LEU 19 HA LEU 19 3.404 -4.337 -5.158 153 HB2 LEU 19 HB1 LEU 19 0.353 -4.303 -5.437 154 HB3 LEU 19 HB2 LEU 19 1.303 -2.871 -4.932 155 HG LEU 19 HG LEU 19 1.700 -4.325 -7.605 156 HD11 LEU 19 HD11 LEU 19 0.109 -1.755 -6.981 157 HD12 LEU 19 HD12 LEU 19 -0.587 -3.352 -7.455 158 HD13 LEU 19 HD13 LEU 19 0.439 -2.435 -8.619 159 HD21 LEU 19 HD21 LEU 19 3.716 -3.040 -6.893 160 HD22 LEU 19 HD22 LEU 19 2.694 -1.582 -6.583 161 HD23 LEU 19 HD23 LEU 19 2.889 -2.216 -8.260 162 H VAL 20 HN VAL 20 0.699 -6.079 -3.440 163 HA VAL 20 HA VAL 20 1.327 -4.536 -1.081 164 HB VAL 20 HB VAL 20 -0.448 -5.635 0.072 165 HG11 VAL 20 HG11 VAL 20 -1.209 -4.715 -2.781 166 HG12 VAL 20 HG12 VAL 20 -2.257 -4.688 -1.325 167 HG13 VAL 20 HG13 VAL 20 -0.811 -3.618 -1.406 168 HG21 VAL 20 HG21 VAL 20 -0.807 -7.279 -2.525 169 HG22 VAL 20 HG22 VAL 20 -0.419 -7.943 -0.886 170 HG23 VAL 20 HG23 VAL 20 -2.006 -7.165 -1.191 171 H THR 21 HN THR 21 1.799 -8.073 -1.851 172 HA THR 21 HA THR 21 2.812 -8.315 0.891 173 HB THR 21 HB THR 21 0.971 -9.710 0.519 174 HG1 THR 21 HG1 THR 21 3.039 -11.518 0.529 175 HG21 THR 21 HG21 THR 21 1.057 -10.243 -1.876 176 HG22 THR 21 HG22 THR 21 1.162 -11.764 -0.931 177 HG23 THR 21 HG23 THR 21 2.645 -11.086 -1.688 178 H LYS 22 HN LYS 22 4.584 -7.044 -0.162 179 HA LYS 22 HA LYS 22 6.624 -8.175 -1.649 180 HB2 LYS 22 HB1 LYS 22 6.910 -6.211 0.703 181 HB3 LYS 22 HB2 LYS 22 8.037 -6.370 -0.682 182 HG2 LYS 22 HG1 LYS 22 6.334 -5.443 -2.219 183 HG3 LYS 22 HG2 LYS 22 5.092 -5.463 -0.934 184 HD2 LYS 22 HD1 LYS 22 6.616 -3.925 0.464 185 HD3 LYS 22 HD2 LYS 22 7.666 -3.777 -0.971 186 HE2 LYS 22 HE1 LYS 22 6.145 -1.822 -0.766 187 HE3 LYS 22 HE2 LYS 22 5.763 -2.746 -2.271 188 HZ1 LYS 22 HZ1 LYS 22 3.837 -3.521 -1.392 189 HZ2 LYS 22 HZ2 LYS 22 3.906 -1.990 -0.720 190 HZ3 LYS 22 HZ3 LYS 22 4.283 -3.345 0.237 191 H LYS 23 HN LYS 23 5.898 -8.605 1.754 192 HA LYS 23 HA LYS 23 8.526 -9.745 2.351 193 HB2 LYS 23 HB1 LYS 23 7.658 -8.016 3.836 194 HB3 LYS 23 HB2 LYS 23 6.082 -8.842 3.966 195 HG2 LYS 23 HG1 LYS 23 7.361 -9.018 6.062 196 HG3 LYS 23 HG2 LYS 23 6.997 -10.600 5.338 197 HD2 LYS 23 HD1 LYS 23 9.497 -10.308 4.281 198 HD3 LYS 23 HD2 LYS 23 9.677 -9.111 5.587 199 HE2 LYS 23 HE1 LYS 23 10.565 -11.357 6.237 200 HE3 LYS 23 HE2 LYS 23 9.159 -10.927 7.292 201 HZ1 LYS 23 HZ1 LYS 23 8.491 -12.323 4.837 202 HZ2 LYS 23 HZ2 LYS 23 7.921 -12.550 6.400 203 HZ3 LYS 23 HZ3 LYS 23 9.403 -13.240 5.939 204 H SER 24 HN SER 24 5.633 -11.040 1.103 205 HA SER 24 HA SER 24 6.485 -13.678 1.928 206 HB2 SER 24 HB1 SER 24 4.869 -12.921 3.794 207 HB3 SER 24 HB2 SER 24 3.574 -12.908 2.554 208 HG SER 24 HG1 SER 24 3.647 -14.945 3.543 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 -14.723 -27.656 -0.496 2 HA PHE 1 HA PHE 1 -13.385 -27.401 -2.801 3 HB2 PHE 1 HB1 PHE 1 -14.907 -25.171 -1.301 4 HB3 PHE 1 HB2 PHE 1 -14.512 -25.117 -3.064 5 HD1 PHE 1 HD1 PHE 1 -15.229 -27.160 -4.493 6 HD2 PHE 1 HD2 PHE 1 -16.971 -26.146 -0.695 7 HE1 PHE 1 HE1 PHE 1 -17.252 -28.461 -5.073 8 HE2 PHE 1 HE2 PHE 1 -18.997 -27.438 -1.284 9 HZ PHE 1 HZ PHE 1 -19.141 -28.597 -3.470 10 H LEU 2 HN LEU 2 -12.706 -24.547 -3.076 11 HA LEU 2 HA LEU 2 -10.288 -24.262 -1.508 12 HB2 LEU 2 HB1 LEU 2 -10.335 -24.279 -4.613 13 HB3 LEU 2 HB2 LEU 2 -8.956 -23.782 -3.589 14 HG LEU 2 HG LEU 2 -9.248 -26.296 -2.625 15 HD11 LEU 2 HD11 LEU 2 -9.690 -27.888 -4.524 16 HD12 LEU 2 HD12 LEU 2 -10.150 -26.507 -5.580 17 HD13 LEU 2 HD13 LEU 2 -11.166 -26.925 -4.152 18 HD21 LEU 2 HD21 LEU 2 -7.168 -25.295 -3.556 19 HD22 LEU 2 HD22 LEU 2 -7.783 -25.547 -5.234 20 HD23 LEU 2 HD23 LEU 2 -7.417 -26.964 -4.186 21 HA PRO 3 HA PRO 3 -12.069 -20.226 -1.744 22 HB2 PRO 3 HB1 PRO 3 -9.883 -18.454 -1.729 23 HB3 PRO 3 HB2 PRO 3 -10.458 -19.384 -0.293 24 HG2 PRO 3 HG1 PRO 3 -8.236 -20.186 -2.252 25 HG3 PRO 3 HG2 PRO 3 -8.149 -20.115 -0.441 26 HD2 PRO 3 HD1 PRO 3 -8.643 -22.475 -1.736 27 HD3 PRO 3 HD2 PRO 3 -9.599 -22.064 -0.241 28 H ILE 4 HN ILE 4 -13.214 -19.588 -3.441 29 HA ILE 4 HA ILE 4 -12.321 -19.708 -6.070 30 HB ILE 4 HB ILE 4 -14.692 -18.187 -4.899 31 HG12 ILE 4 HG11 ILE 4 -14.518 -21.034 -6.069 32 HG13 ILE 4 HG12 ILE 4 -14.586 -20.676 -4.319 33 HG21 ILE 4 HG21 ILE 4 -14.165 -17.434 -7.251 34 HG22 ILE 4 HG22 ILE 4 -14.106 -19.157 -7.787 35 HG23 ILE 4 HG23 ILE 4 -15.649 -18.424 -7.227 36 HD11 ILE 4 HD1 ILE 4 -16.804 -20.046 -6.370 37 HD12 ILE 4 HD2 ILE 4 -16.830 -21.279 -5.067 38 HD13 ILE 4 HD3 ILE 4 -16.826 -19.530 -4.644 39 H LEU 5 HN LEU 5 -12.696 -16.837 -3.938 40 HA LEU 5 HA LEU 5 -12.051 -14.921 -5.826 41 HB2 LEU 5 HB1 LEU 5 -11.584 -14.880 -2.777 42 HB3 LEU 5 HB2 LEU 5 -11.504 -13.458 -3.857 43 HG LEU 5 HG LEU 5 -13.538 -13.327 -2.729 44 HD11 LEU 5 HD11 LEU 5 -14.267 -14.388 -5.530 45 HD12 LEU 5 HD12 LEU 5 -13.638 -12.735 -5.158 46 HD13 LEU 5 HD13 LEU 5 -15.228 -13.267 -4.504 47 HD21 LEU 5 HD21 LEU 5 -15.309 -14.948 -2.566 48 HD22 LEU 5 HD22 LEU 5 -13.793 -15.719 -1.985 49 HD23 LEU 5 HD23 LEU 5 -14.464 -16.118 -3.626 50 H ALA 6 HN ALA 6 -9.824 -16.654 -3.587 51 HA ALA 6 HA ALA 6 -7.489 -15.318 -4.434 52 HB1 ALA 6 HB1 ALA 6 -7.869 -18.154 -3.284 53 HB2 ALA 6 HB2 ALA 6 -6.313 -17.243 -3.342 54 HB3 ALA 6 HB3 ALA 6 -7.661 -16.648 -2.314 55 H SER 7 HN SER 7 -9.040 -18.337 -5.607 56 HA SER 7 HA SER 7 -7.082 -18.986 -7.512 57 HB2 SER 7 HB1 SER 7 -8.910 -20.520 -6.680 58 HB3 SER 7 HB2 SER 7 -10.093 -19.592 -7.650 59 HG SER 7 HG1 SER 7 -9.301 -21.492 -8.669 60 H LEU 8 HN LEU 8 -10.061 -16.972 -7.905 61 HA LEU 8 HA LEU 8 -9.629 -16.401 -10.637 62 HB2 LEU 8 HB1 LEU 8 -11.815 -16.184 -9.452 63 HB3 LEU 8 HB2 LEU 8 -11.137 -14.892 -8.426 64 HG LEU 8 HG LEU 8 -10.865 -13.426 -10.444 65 HD11 LEU 8 HD11 LEU 8 -12.255 -15.727 -11.967 66 HD12 LEU 8 HD12 LEU 8 -10.574 -15.120 -12.249 67 HD13 LEU 8 HD13 LEU 8 -11.985 -14.065 -12.597 68 HD21 LEU 8 HD21 LEU 8 -13.698 -14.589 -10.098 69 HD22 LEU 8 HD22 LEU 8 -13.283 -12.981 -10.795 70 HD23 LEU 8 HD23 LEU 8 -12.936 -13.324 -9.060 71 H ALA 9 HN ALA 9 -8.789 -14.514 -7.663 72 HA ALA 9 HA ALA 9 -7.731 -12.314 -8.957 73 HB1 ALA 9 HB1 ALA 9 -8.397 -12.350 -6.557 74 HB2 ALA 9 HB2 ALA 9 -7.055 -13.491 -6.197 75 HB3 ALA 9 HB3 ALA 9 -6.691 -11.802 -6.730 76 H ALA 10 HN ALA 10 -6.025 -15.317 -7.910 77 HA ALA 10 HA ALA 10 -3.470 -14.365 -8.607 78 HB1 ALA 10 HB1 ALA 10 -4.557 -17.234 -8.368 79 HB2 ALA 10 HB2 ALA 10 -2.809 -16.768 -8.360 80 HB3 ALA 10 HB3 ALA 10 -3.893 -16.245 -7.021 81 H LYS 11 HN LYS 11 -6.032 -15.427 -10.706 82 HA LYS 11 HA LYS 11 -4.140 -15.919 -12.922 83 HB2 LYS 11 HB1 LYS 11 -7.200 -16.032 -12.737 84 HB3 LYS 11 HB2 LYS 11 -6.266 -16.365 -14.235 85 HG2 LYS 11 HG1 LYS 11 -5.233 -18.339 -13.267 86 HG3 LYS 11 HG2 LYS 11 -5.812 -17.903 -11.628 87 HD2 LYS 11 HD1 LYS 11 -8.216 -18.138 -12.478 88 HD3 LYS 11 HD2 LYS 11 -7.571 -18.733 -14.033 89 HE2 LYS 11 HE1 LYS 11 -8.345 -20.594 -12.504 90 HE3 LYS 11 HE2 LYS 11 -6.583 -20.737 -12.902 91 HZ1 LYS 11 HZ1 LYS 11 -7.644 -20.672 -10.367 92 HZ2 LYS 11 HZ2 LYS 11 -7.162 -19.103 -10.605 93 HZ3 LYS 11 HZ3 LYS 11 -6.025 -20.333 -10.784 94 H PHE 12 HN PHE 12 -6.957 -13.760 -12.175 95 HA PHE 12 HA PHE 12 -6.543 -12.164 -14.454 96 HB2 PHE 12 HB1 PHE 12 -8.730 -12.487 -13.206 97 HB3 PHE 12 HB2 PHE 12 -8.070 -11.526 -11.840 98 HD1 PHE 12 HD1 PHE 12 -8.361 -9.178 -11.883 99 HD2 PHE 12 HD2 PHE 12 -8.747 -11.383 -15.553 100 HE1 PHE 12 HE1 PHE 12 -9.127 -7.124 -13.041 101 HE2 PHE 12 HE2 PHE 12 -9.509 -9.330 -16.706 102 HZ PHE 12 HZ PHE 12 -9.698 -7.201 -15.453 103 H GLY 13 HN GLY 13 -5.487 -11.718 -11.055 104 HA2 GLY 13 HA1 GLY 13 -3.818 -9.454 -11.879 105 HA3 GLY 13 HA2 GLY 13 -5.081 -9.264 -10.616 106 HA PRO 14 HA PRO 14 -1.912 -11.836 -8.277 107 HB2 PRO 14 HB1 PRO 14 0.386 -12.864 -9.523 108 HB3 PRO 14 HB2 PRO 14 -1.179 -13.760 -9.491 109 HG2 PRO 14 HG1 PRO 14 -0.131 -11.964 -11.746 110 HG3 PRO 14 HG2 PRO 14 -0.783 -13.652 -11.860 111 HD2 PRO 14 HD1 PRO 14 -2.404 -11.480 -12.360 112 HD3 PRO 14 HD2 PRO 14 -3.035 -12.924 -11.466 113 H LYS 15 HN LYS 15 -0.995 -9.822 -10.818 114 HA LYS 15 HA LYS 15 0.999 -8.155 -10.170 115 HB2 LYS 15 HB1 LYS 15 -1.890 -7.425 -10.967 116 HB3 LYS 15 HB2 LYS 15 -0.451 -6.428 -11.336 117 HG2 LYS 15 HG1 LYS 15 0.269 -7.912 -13.070 118 HG3 LYS 15 HG2 LYS 15 -0.644 -9.303 -12.435 119 HD2 LYS 15 HD1 LYS 15 -2.810 -7.998 -12.936 120 HD3 LYS 15 HD2 LYS 15 -1.809 -6.884 -13.913 121 HE2 LYS 15 HE1 LYS 15 -1.191 -8.674 -15.478 122 HE3 LYS 15 HE2 LYS 15 -1.799 -9.954 -14.357 123 HZ1 LYS 15 HZ1 LYS 15 -4.014 -9.304 -14.743 124 HZ2 LYS 15 HZ2 LYS 15 -3.283 -9.455 -16.242 125 HZ3 LYS 15 HZ3 LYS 15 -3.581 -7.913 -15.606 126 H LEU 16 HN LEU 16 -2.309 -8.025 -8.617 127 HA LEU 16 HA LEU 16 -1.621 -5.745 -7.064 128 HB2 LEU 16 HB1 LEU 16 -3.773 -5.830 -6.097 129 HB3 LEU 16 HB2 LEU 16 -3.926 -6.254 -7.821 130 HG LEU 16 HG LEU 16 -3.764 -8.785 -6.773 131 HD11 LEU 16 HD11 LEU 16 -5.191 -7.113 -4.598 132 HD12 LEU 16 HD12 LEU 16 -3.633 -7.993 -4.377 133 HD13 LEU 16 HD13 LEU 16 -5.146 -8.911 -4.705 134 HD21 LEU 16 HD21 LEU 16 -5.530 -7.921 -8.296 135 HD22 LEU 16 HD22 LEU 16 -6.308 -7.049 -6.917 136 HD23 LEU 16 HD23 LEU 16 -6.244 -8.851 -6.928 137 H PHE 17 HN PHE 17 -1.514 -9.258 -6.394 138 HA PHE 17 HA PHE 17 -0.987 -8.999 -3.631 139 HB2 PHE 17 HB1 PHE 17 -0.199 -11.249 -5.588 140 HB3 PHE 17 HB2 PHE 17 -0.101 -11.363 -3.792 141 HD1 PHE 17 HD1 PHE 17 -1.900 -12.659 -6.260 142 HD2 PHE 17 HD2 PHE 17 -2.570 -10.250 -2.763 143 HE1 PHE 17 HE1 PHE 17 -4.230 -13.490 -6.129 144 HE2 PHE 17 HE2 PHE 17 -4.884 -11.082 -2.631 145 HZ PHE 17 HZ PHE 17 -5.725 -12.703 -4.306 146 H SER 18 HN SER 18 1.238 -9.267 -6.451 147 HA SER 18 HA SER 18 3.622 -9.111 -5.063 148 HB2 SER 18 HB1 SER 18 2.990 -7.898 -7.816 149 HB3 SER 18 HB2 SER 18 4.639 -8.260 -7.168 150 HG SER 18 HG1 SER 18 3.924 -9.959 -8.473 151 H LEU 19 HN LEU 19 1.519 -6.391 -6.134 152 HA LEU 19 HA LEU 19 3.277 -4.355 -5.268 153 HB2 LEU 19 HB1 LEU 19 0.228 -4.430 -5.558 154 HB3 LEU 19 HB2 LEU 19 1.130 -2.938 -5.143 155 HG LEU 19 HG LEU 19 1.589 -4.546 -7.715 156 HD11 LEU 19 HD11 LEU 19 0.287 -2.745 -8.845 157 HD12 LEU 19 HD12 LEU 19 -0.071 -1.985 -7.248 158 HD13 LEU 19 HD13 LEU 19 -0.723 -3.623 -7.638 159 HD21 LEU 19 HD21 LEU 19 2.726 -2.448 -8.491 160 HD22 LEU 19 HD22 LEU 19 3.567 -3.169 -7.075 161 HD23 LEU 19 HD23 LEU 19 2.506 -1.722 -6.856 162 H VAL 20 HN VAL 20 0.674 -6.090 -3.418 163 HA VAL 20 HA VAL 20 1.235 -4.372 -1.161 164 HB VAL 20 HB VAL 20 -0.466 -5.516 0.080 165 HG11 VAL 20 HG11 VAL 20 -0.927 -3.556 -1.447 166 HG12 VAL 20 HG12 VAL 20 -1.299 -4.705 -2.786 167 HG13 VAL 20 HG13 VAL 20 -2.329 -4.676 -1.316 168 HG21 VAL 20 HG21 VAL 20 -0.365 -7.850 -0.833 169 HG22 VAL 20 HG22 VAL 20 -1.986 -7.134 -1.110 170 HG23 VAL 20 HG23 VAL 20 -0.820 -7.230 -2.472 171 H THR 21 HN THR 21 1.796 -7.947 -1.685 172 HA THR 21 HA THR 21 2.914 -7.956 1.021 173 HB THR 21 HB THR 21 1.038 -9.401 0.672 174 HG1 THR 21 HG1 THR 21 2.083 -11.190 1.658 175 HG21 THR 21 HG21 THR 21 2.940 -11.127 -1.059 176 HG22 THR 21 HG22 THR 21 1.478 -10.254 -1.652 177 HG23 THR 21 HG23 THR 21 1.309 -11.592 -0.464 178 H LYS 22 HN LYS 22 4.554 -6.710 -0.241 179 HA LYS 22 HA LYS 22 6.633 -7.936 -1.647 180 HB2 LYS 22 HB1 LYS 22 6.645 -5.507 0.232 181 HB3 LYS 22 HB2 LYS 22 7.909 -5.853 -0.993 182 HG2 LYS 22 HG1 LYS 22 6.389 -5.531 -2.835 183 HG3 LYS 22 HG2 LYS 22 4.947 -5.462 -1.807 184 HD2 LYS 22 HD1 LYS 22 7.260 -3.426 -1.723 185 HD3 LYS 22 HD2 LYS 22 5.755 -3.213 -2.660 186 HE2 LYS 22 HE1 LYS 22 5.890 -3.446 0.438 187 HE3 LYS 22 HE2 LYS 22 5.717 -1.930 -0.523 188 HZ1 LYS 22 HZ1 LYS 22 3.707 -3.971 0.056 189 HZ2 LYS 22 HZ2 LYS 22 3.745 -3.431 -1.526 190 HZ3 LYS 22 HZ3 LYS 22 3.573 -2.305 -0.310 191 H LYS 23 HN LYS 23 6.167 -7.550 1.871 192 HA LYS 23 HA LYS 23 8.310 -9.545 2.274 193 HB2 LYS 23 HB1 LYS 23 8.740 -7.242 3.366 194 HB3 LYS 23 HB2 LYS 23 7.266 -7.501 4.333 195 HG2 LYS 23 HG1 LYS 23 9.894 -9.129 4.408 196 HG3 LYS 23 HG2 LYS 23 9.306 -7.950 5.619 197 HD2 LYS 23 HD1 LYS 23 7.239 -9.586 5.908 198 HD3 LYS 23 HD2 LYS 23 8.210 -10.732 4.955 199 HE2 LYS 23 HE1 LYS 23 8.551 -11.393 7.199 200 HE3 LYS 23 HE2 LYS 23 10.077 -10.542 6.732 201 HZ1 LYS 23 HZ1 LYS 23 9.192 -8.554 7.824 202 HZ2 LYS 23 HZ2 LYS 23 9.268 -9.864 8.904 203 HZ3 LYS 23 HZ3 LYS 23 7.781 -9.391 8.248 204 H SER 24 HN SER 24 7.082 -11.402 2.198 205 HA SER 24 HA SER 24 4.381 -11.351 3.351 206 HB2 SER 24 HB1 SER 24 4.697 -12.225 1.047 207 HB3 SER 24 HB2 SER 24 5.756 -13.528 1.692 208 HG SER 24 HG1 SER 24 3.564 -14.199 1.449 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 -15.905 -25.237 -1.824 2 HA PHE 1 HA PHE 1 -14.581 -25.653 0.180 3 HB2 PHE 1 HB1 PHE 1 -13.645 -27.392 -2.210 4 HB3 PHE 1 HB2 PHE 1 -13.610 -27.878 -0.471 5 HD1 PHE 1 HD1 PHE 1 -15.928 -27.752 0.785 6 HD2 PHE 1 HD2 PHE 1 -15.509 -27.947 -3.484 7 HE1 PHE 1 HE1 PHE 1 -18.242 -28.610 0.598 8 HE2 PHE 1 HE2 PHE 1 -17.824 -28.819 -3.673 9 HZ PHE 1 HZ PHE 1 -19.192 -29.147 -1.628 10 H LEU 2 HN LEU 2 -12.906 -24.668 -2.675 11 HA LEU 2 HA LEU 2 -10.455 -24.103 -1.134 12 HB2 LEU 2 HB1 LEU 2 -10.767 -25.333 -3.916 13 HB3 LEU 2 HB2 LEU 2 -9.410 -24.202 -3.634 14 HG LEU 2 HG LEU 2 -8.568 -25.598 -1.769 15 HD11 LEU 2 HD11 LEU 2 -10.566 -26.831 -1.031 16 HD12 LEU 2 HD12 LEU 2 -9.313 -27.986 -1.563 17 HD13 LEU 2 HD13 LEU 2 -10.727 -27.622 -2.643 18 HD21 LEU 2 HD21 LEU 2 -7.670 -25.780 -4.090 19 HD22 LEU 2 HD22 LEU 2 -8.882 -27.062 -4.467 20 HD23 LEU 2 HD23 LEU 2 -7.595 -27.359 -3.231 21 HA PRO 3 HA PRO 3 -11.897 -20.321 -1.964 22 HB2 PRO 3 HB1 PRO 3 -9.757 -18.542 -1.796 23 HB3 PRO 3 HB2 PRO 3 -10.301 -19.603 -0.443 24 HG2 PRO 3 HG1 PRO 3 -8.059 -20.193 -2.457 25 HG3 PRO 3 HG2 PRO 3 -7.973 -20.253 -0.645 26 HD2 PRO 3 HD1 PRO 3 -8.429 -22.535 -2.096 27 HD3 PRO 3 HD2 PRO 3 -9.398 -22.214 -0.585 28 H ILE 4 HN ILE 4 -12.944 -20.091 -3.851 29 HA ILE 4 HA ILE 4 -11.921 -19.964 -6.377 30 HB ILE 4 HB ILE 4 -14.527 -18.756 -5.350 31 HG12 ILE 4 HG11 ILE 4 -13.917 -21.572 -6.449 32 HG13 ILE 4 HG12 ILE 4 -14.163 -21.195 -4.720 33 HG21 ILE 4 HG21 ILE 4 -15.322 -19.124 -7.719 34 HG22 ILE 4 HG22 ILE 4 -13.971 -17.960 -7.682 35 HG23 ILE 4 HG23 ILE 4 -13.673 -19.667 -8.190 36 HD11 ILE 4 HD1 ILE 4 -16.284 -20.904 -6.940 37 HD12 ILE 4 HD2 ILE 4 -16.244 -22.099 -5.601 38 HD13 ILE 4 HD3 ILE 4 -16.499 -20.356 -5.236 39 H LEU 5 HN LEU 5 -12.727 -17.157 -4.273 40 HA LEU 5 HA LEU 5 -12.130 -15.161 -6.114 41 HB2 LEU 5 HB1 LEU 5 -11.848 -15.136 -3.042 42 HB3 LEU 5 HB2 LEU 5 -11.802 -13.695 -4.099 43 HG LEU 5 HG LEU 5 -13.903 -13.720 -3.093 44 HD11 LEU 5 HD11 LEU 5 -15.486 -13.748 -4.965 45 HD12 LEU 5 HD12 LEU 5 -14.391 -14.784 -5.944 46 HD13 LEU 5 HD13 LEU 5 -13.901 -13.098 -5.517 47 HD21 LEU 5 HD21 LEU 5 -14.036 -16.135 -2.394 48 HD22 LEU 5 HD22 LEU 5 -14.578 -16.554 -4.076 49 HD23 LEU 5 HD23 LEU 5 -15.566 -15.462 -3.057 50 H ALA 6 HN ALA 6 -9.929 -16.810 -3.789 51 HA ALA 6 HA ALA 6 -7.634 -15.314 -4.495 52 HB1 ALA 6 HB1 ALA 6 -7.877 -18.158 -3.347 53 HB2 ALA 6 HB2 ALA 6 -6.392 -17.135 -3.331 54 HB3 ALA 6 HB3 ALA 6 -7.831 -16.639 -2.375 55 H SER 7 HN SER 7 -8.969 -18.393 -5.762 56 HA SER 7 HA SER 7 -6.897 -18.894 -7.598 57 HB2 SER 7 HB1 SER 7 -8.780 -20.511 -6.901 58 HB3 SER 7 HB2 SER 7 -9.850 -19.637 -8.032 59 HG SER 7 HG1 SER 7 -7.624 -21.281 -8.506 60 H LEU 8 HN LEU 8 -9.920 -16.992 -8.064 61 HA LEU 8 HA LEU 8 -9.454 -16.326 -10.766 62 HB2 LEU 8 HB1 LEU 8 -11.603 -16.238 -9.421 63 HB3 LEU 8 HB2 LEU 8 -11.013 -14.768 -8.611 64 HG LEU 8 HG LEU 8 -11.318 -14.995 -11.671 65 HD11 LEU 8 HD11 LEU 8 -13.438 -14.076 -9.629 66 HD12 LEU 8 HD12 LEU 8 -13.494 -15.591 -10.609 67 HD13 LEU 8 HD13 LEU 8 -13.582 -13.986 -11.421 68 HD21 LEU 8 HD21 LEU 8 -11.680 -12.496 -11.527 69 HD22 LEU 8 HD22 LEU 8 -10.038 -12.967 -10.981 70 HD23 LEU 8 HD23 LEU 8 -11.313 -12.558 -9.767 71 H ALA 9 HN ALA 9 -8.682 -14.572 -7.713 72 HA ALA 9 HA ALA 9 -7.437 -12.381 -8.857 73 HB1 ALA 9 HB1 ALA 9 -8.226 -12.501 -6.491 74 HB2 ALA 9 HB2 ALA 9 -6.948 -13.715 -6.133 75 HB3 ALA 9 HB3 ALA 9 -6.493 -12.022 -6.574 76 H ALA 10 HN ALA 10 -5.966 -15.540 -7.905 77 HA ALA 10 HA ALA 10 -3.336 -14.887 -8.469 78 HB1 ALA 10 HB1 ALA 10 -3.015 -17.364 -8.658 79 HB2 ALA 10 HB2 ALA 10 -4.088 -16.948 -7.273 80 HB3 ALA 10 HB3 ALA 10 -4.805 -17.571 -8.802 81 H LYS 11 HN LYS 11 -5.898 -15.765 -10.789 82 HA LYS 11 HA LYS 11 -3.961 -15.992 -12.970 83 HB2 LYS 11 HB1 LYS 11 -7.019 -16.105 -12.817 84 HB3 LYS 11 HB2 LYS 11 -6.097 -16.377 -14.334 85 HG2 LYS 11 HG1 LYS 11 -5.213 -18.449 -13.594 86 HG3 LYS 11 HG2 LYS 11 -5.433 -18.045 -11.866 87 HD2 LYS 11 HD1 LYS 11 -7.903 -18.096 -12.134 88 HD3 LYS 11 HD2 LYS 11 -7.721 -18.691 -13.820 89 HE2 LYS 11 HE1 LYS 11 -6.765 -20.799 -13.086 90 HE3 LYS 11 HE2 LYS 11 -6.391 -20.152 -11.438 91 HZ1 LYS 11 HZ1 LYS 11 -8.474 -21.642 -11.865 92 HZ2 LYS 11 HZ2 LYS 11 -9.194 -20.158 -12.289 93 HZ3 LYS 11 HZ3 LYS 11 -8.486 -20.372 -10.757 94 H PHE 12 HN PHE 12 -6.820 -13.838 -12.301 95 HA PHE 12 HA PHE 12 -6.086 -12.172 -14.530 96 HB2 PHE 12 HB1 PHE 12 -8.473 -12.675 -13.819 97 HB3 PHE 12 HB2 PHE 12 -8.199 -11.735 -12.313 98 HD1 PHE 12 HD1 PHE 12 -8.518 -9.378 -12.365 99 HD2 PHE 12 HD2 PHE 12 -8.109 -11.513 -16.074 100 HE1 PHE 12 HE1 PHE 12 -9.116 -7.324 -13.617 101 HE2 PHE 12 HE2 PHE 12 -8.705 -9.459 -17.320 102 HZ PHE 12 HZ PHE 12 -9.206 -7.365 -16.095 103 H GLY 13 HN GLY 13 -5.881 -11.934 -11.006 104 HA2 GLY 13 HA1 GLY 13 -4.940 -9.163 -11.142 105 HA3 GLY 13 HA2 GLY 13 -5.744 -10.000 -9.792 106 HA PRO 14 HA PRO 14 -1.813 -11.397 -8.279 107 HB2 PRO 14 HB1 PRO 14 0.346 -12.456 -9.706 108 HB3 PRO 14 HB2 PRO 14 -1.168 -13.398 -9.430 109 HG2 PRO 14 HG1 PRO 14 -0.483 -11.720 -11.907 110 HG3 PRO 14 HG2 PRO 14 -1.014 -13.455 -11.838 111 HD2 PRO 14 HD1 PRO 14 -2.858 -11.464 -12.271 112 HD3 PRO 14 HD2 PRO 14 -3.250 -12.853 -11.173 113 H LYS 15 HN LYS 15 -1.725 -9.343 -10.849 114 HA LYS 15 HA LYS 15 0.468 -7.675 -10.525 115 HB2 LYS 15 HB1 LYS 15 -2.291 -6.475 -10.970 116 HB3 LYS 15 HB2 LYS 15 -0.793 -6.198 -11.889 117 HG2 LYS 15 HG1 LYS 15 -2.642 -8.698 -12.098 118 HG3 LYS 15 HG2 LYS 15 -2.754 -7.242 -13.106 119 HD2 LYS 15 HD1 LYS 15 -0.678 -7.628 -14.218 120 HD3 LYS 15 HD2 LYS 15 -0.140 -8.830 -13.018 121 HE2 LYS 15 HE1 LYS 15 -0.814 -9.814 -15.261 122 HE3 LYS 15 HE2 LYS 15 -1.640 -10.546 -13.838 123 HZ1 LYS 15 HZ1 LYS 15 -2.915 -8.374 -15.421 124 HZ2 LYS 15 HZ2 LYS 15 -3.626 -9.504 -14.370 125 HZ3 LYS 15 HZ3 LYS 15 -3.030 -10.011 -15.846 126 H LEU 16 HN LEU 16 -2.708 -7.756 -8.732 127 HA LEU 16 HA LEU 16 -2.033 -5.495 -7.140 128 HB2 LEU 16 HB1 LEU 16 -4.113 -5.673 -6.081 129 HB3 LEU 16 HB2 LEU 16 -4.362 -6.106 -7.790 130 HG LEU 16 HG LEU 16 -4.037 -8.628 -6.749 131 HD11 LEU 16 HD11 LEU 16 -5.373 -7.000 -4.487 132 HD12 LEU 16 HD12 LEU 16 -3.770 -7.813 -4.370 133 HD13 LEU 16 HD13 LEU 16 -5.263 -8.795 -4.590 134 HD21 LEU 16 HD21 LEU 16 -5.932 -7.830 -8.152 135 HD22 LEU 16 HD22 LEU 16 -6.646 -6.987 -6.723 136 HD23 LEU 16 HD23 LEU 16 -6.517 -8.785 -6.738 137 H PHE 17 HN PHE 17 -1.844 -9.031 -6.583 138 HA PHE 17 HA PHE 17 -0.992 -8.871 -3.909 139 HB2 PHE 17 HB1 PHE 17 -0.290 -10.958 -6.076 140 HB3 PHE 17 HB2 PHE 17 0.006 -11.174 -4.312 141 HD1 PHE 17 HD1 PHE 17 -1.772 -12.723 -6.446 142 HD2 PHE 17 HD2 PHE 17 -2.600 -10.056 -3.166 143 HE1 PHE 17 HE1 PHE 17 -3.972 -13.798 -6.114 144 HE2 PHE 17 HE2 PHE 17 -4.784 -11.129 -2.849 145 HZ PHE 17 HZ PHE 17 -5.478 -13.009 -4.305 146 H SER 18 HN SER 18 0.892 -8.841 -6.928 147 HA SER 18 HA SER 18 3.444 -8.621 -5.829 148 HB2 SER 18 HB1 SER 18 2.411 -7.379 -8.456 149 HB3 SER 18 HB2 SER 18 4.136 -7.658 -8.020 150 HG SER 18 HG1 SER 18 2.113 -9.607 -8.473 151 H LEU 19 HN LEU 19 1.056 -6.020 -6.552 152 HA LEU 19 HA LEU 19 2.728 -3.879 -5.816 153 HB2 LEU 19 HB1 LEU 19 -0.311 -4.170 -5.815 154 HB3 LEU 19 HB2 LEU 19 0.516 -2.638 -5.397 155 HG LEU 19 HG LEU 19 0.883 -4.066 -8.084 156 HD11 LEU 19 HD11 LEU 19 -0.654 -2.329 -9.002 157 HD12 LEU 19 HD12 LEU 19 -0.941 -1.689 -7.342 158 HD13 LEU 19 HD13 LEU 19 -1.489 -3.352 -7.775 159 HD21 LEU 19 HD21 LEU 19 1.760 -1.833 -8.820 160 HD22 LEU 19 HD22 LEU 19 2.782 -2.551 -7.527 161 HD23 LEU 19 HD23 LEU 19 1.622 -1.223 -7.131 162 H VAL 20 HN VAL 20 0.550 -5.894 -3.737 163 HA VAL 20 HA VAL 20 1.409 -4.321 -1.452 164 HB VAL 20 HB VAL 20 -0.872 -4.763 -1.614 165 HG11 VAL 20 HG11 VAL 20 -0.832 -7.030 -2.733 166 HG12 VAL 20 HG12 VAL 20 -0.443 -7.780 -1.133 167 HG13 VAL 20 HG13 VAL 20 -1.968 -6.870 -1.352 168 HG21 VAL 20 HG21 VAL 20 0.358 -6.188 0.838 169 HG22 VAL 20 HG22 VAL 20 0.225 -4.403 0.601 170 HG23 VAL 20 HG23 VAL 20 -1.257 -5.410 0.716 171 H THR 21 HN THR 21 1.166 -7.825 -0.998 172 HA THR 21 HA THR 21 3.426 -7.612 0.688 173 HB THR 21 HB THR 21 1.524 -9.051 1.225 174 HG1 THR 21 HG1 THR 21 2.806 -10.709 2.027 175 HG21 THR 21 HG21 THR 21 2.792 -11.015 -0.810 176 HG22 THR 21 HG22 THR 21 1.258 -10.119 -1.075 177 HG23 THR 21 HG23 THR 21 1.377 -11.328 0.255 178 H LYS 22 HN LYS 22 5.459 -8.408 0.682 179 HA LYS 22 HA LYS 22 6.445 -9.870 -1.668 180 HB2 LYS 22 HB1 LYS 22 8.024 -7.428 -0.671 181 HB3 LYS 22 HB2 LYS 22 8.189 -8.325 -2.214 182 HG2 LYS 22 HG1 LYS 22 5.843 -7.400 -2.811 183 HG3 LYS 22 HG2 LYS 22 5.973 -6.411 -1.310 184 HD2 LYS 22 HD1 LYS 22 8.227 -5.522 -2.407 185 HD3 LYS 22 HD2 LYS 22 7.540 -6.185 -3.923 186 HE2 LYS 22 HE1 LYS 22 6.496 -3.927 -2.117 187 HE3 LYS 22 HE2 LYS 22 6.789 -3.883 -3.904 188 HZ1 LYS 22 HZ1 LYS 22 4.649 -5.387 -2.460 189 HZ2 LYS 22 HZ2 LYS 22 4.870 -5.448 -4.115 190 HZ3 LYS 22 HZ3 LYS 22 4.398 -4.024 -3.357 191 H LYS 23 HN LYS 23 6.008 -10.076 1.424 192 HA LYS 23 HA LYS 23 7.051 -10.431 3.334 193 HB2 LYS 23 HB1 LYS 23 7.100 -12.610 2.298 194 HB3 LYS 23 HB2 LYS 23 8.690 -12.262 1.574 195 HG2 LYS 23 HG1 LYS 23 8.755 -13.845 3.463 196 HG3 LYS 23 HG2 LYS 23 9.835 -12.457 3.687 197 HD2 LYS 23 HD1 LYS 23 7.061 -12.548 5.040 198 HD3 LYS 23 HD2 LYS 23 8.473 -13.448 5.682 199 HE2 LYS 23 HE1 LYS 23 9.808 -11.237 5.702 200 HE3 LYS 23 HE2 LYS 23 8.243 -10.391 5.389 201 HZ1 LYS 23 HZ1 LYS 23 7.382 -11.402 7.432 202 HZ2 LYS 23 HZ2 LYS 23 8.737 -10.415 7.681 203 HZ3 LYS 23 HZ3 LYS 23 8.901 -12.100 7.734 204 H SER 24 HN SER 24 7.796 -7.955 2.665 205 HA SER 24 HA SER 24 10.617 -7.640 2.997 206 HB2 SER 24 HB1 SER 24 8.407 -5.556 3.432 207 HB3 SER 24 HB2 SER 24 10.151 -5.222 3.140 208 HG SER 24 HG1 SER 24 9.890 -6.071 1.063 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 -15.259 -25.586 -1.769 2 HA PHE 1 HA PHE 1 -13.622 -26.221 -0.134 3 HB2 PHE 1 HB1 PHE 1 -13.230 -27.808 -2.764 4 HB3 PHE 1 HB2 PHE 1 -12.821 -28.413 -1.111 5 HD1 PHE 1 HD1 PHE 1 -14.759 -28.384 0.639 6 HD2 PHE 1 HD2 PHE 1 -15.394 -28.196 -3.606 7 HE1 PHE 1 HE1 PHE 1 -17.091 -29.149 0.954 8 HE2 PHE 1 HE2 PHE 1 -17.721 -28.987 -3.293 9 HZ PHE 1 HZ PHE 1 -18.574 -29.454 -1.009 10 H LEU 2 HN LEU 2 -12.401 -25.018 -3.154 11 HA LEU 2 HA LEU 2 -9.778 -24.552 -1.879 12 HB2 LEU 2 HB1 LEU 2 -10.316 -25.122 -4.860 13 HB3 LEU 2 HB2 LEU 2 -8.807 -24.400 -4.217 14 HG LEU 2 HG LEU 2 -8.611 -26.524 -2.727 15 HD11 LEU 2 HD11 LEU 2 -9.525 -28.621 -3.758 16 HD12 LEU 2 HD12 LEU 2 -10.497 -27.627 -4.916 17 HD13 LEU 2 HD13 LEU 2 -10.833 -27.571 -3.144 18 HD21 LEU 2 HD21 LEU 2 -8.217 -26.687 -5.783 19 HD22 LEU 2 HD22 LEU 2 -7.374 -27.697 -4.542 20 HD23 LEU 2 HD23 LEU 2 -7.087 -25.921 -4.603 21 HA PRO 3 HA PRO 3 -11.764 -20.741 -1.949 22 HB2 PRO 3 HB1 PRO 3 -9.663 -18.824 -1.836 23 HB3 PRO 3 HB2 PRO 3 -10.268 -19.827 -0.462 24 HG2 PRO 3 HG1 PRO 3 -7.920 -20.455 -2.331 25 HG3 PRO 3 HG2 PRO 3 -7.948 -20.498 -0.517 26 HD2 PRO 3 HD1 PRO 3 -8.264 -22.791 -1.967 27 HD3 PRO 3 HD2 PRO 3 -9.359 -22.497 -0.540 28 H ILE 4 HN ILE 4 -13.001 -19.985 -3.494 29 HA ILE 4 HA ILE 4 -12.277 -19.882 -6.159 30 HB ILE 4 HB ILE 4 -14.614 -18.521 -4.748 31 HG12 ILE 4 HG11 ILE 4 -14.415 -21.287 -6.096 32 HG13 ILE 4 HG12 ILE 4 -14.395 -21.029 -4.329 33 HG21 ILE 4 HG21 ILE 4 -15.716 -18.651 -7.019 34 HG22 ILE 4 HG22 ILE 4 -14.269 -17.608 -7.078 35 HG23 ILE 4 HG23 ILE 4 -14.190 -19.293 -7.723 36 HD11 ILE 4 HD1 ILE 4 -16.653 -21.677 -4.979 37 HD12 ILE 4 HD2 ILE 4 -16.689 -19.955 -4.460 38 HD13 ILE 4 HD3 ILE 4 -16.750 -20.376 -6.212 39 H LEU 5 HN LEU 5 -12.590 -17.158 -3.836 40 HA LEU 5 HA LEU 5 -12.059 -15.109 -5.633 41 HB2 LEU 5 HB1 LEU 5 -11.451 -15.270 -2.613 42 HB3 LEU 5 HB2 LEU 5 -11.419 -13.778 -3.597 43 HG LEU 5 HG LEU 5 -13.397 -13.729 -2.368 44 HD11 LEU 5 HD11 LEU 5 -14.260 -14.602 -5.195 45 HD12 LEU 5 HD12 LEU 5 -13.614 -12.975 -4.744 46 HD13 LEU 5 HD13 LEU 5 -15.170 -13.556 -4.050 47 HD21 LEU 5 HD21 LEU 5 -13.617 -16.163 -1.773 48 HD22 LEU 5 HD22 LEU 5 -14.363 -16.458 -3.403 49 HD23 LEU 5 HD23 LEU 5 -15.159 -15.363 -2.230 50 H ALA 6 HN ALA 6 -9.749 -16.990 -3.614 51 HA ALA 6 HA ALA 6 -7.440 -15.619 -4.470 52 HB1 ALA 6 HB1 ALA 6 -7.541 -17.077 -2.429 53 HB2 ALA 6 HB2 ALA 6 -7.794 -18.516 -3.484 54 HB3 ALA 6 HB3 ALA 6 -6.236 -17.609 -3.543 55 H SER 7 HN SER 7 -9.041 -18.572 -5.759 56 HA SER 7 HA SER 7 -7.192 -19.078 -7.805 57 HB2 SER 7 HB1 SER 7 -8.956 -20.674 -7.012 58 HB3 SER 7 HB2 SER 7 -10.210 -19.666 -7.794 59 HG SER 7 HG1 SER 7 -9.383 -21.544 -8.968 60 H LEU 8 HN LEU 8 -10.151 -17.000 -7.915 61 HA LEU 8 HA LEU 8 -9.855 -16.265 -10.634 62 HB2 LEU 8 HB1 LEU 8 -11.901 -16.147 -9.148 63 HB3 LEU 8 HB2 LEU 8 -11.204 -14.733 -8.326 64 HG LEU 8 HG LEU 8 -11.718 -14.833 -11.366 65 HD11 LEU 8 HD11 LEU 8 -13.656 -13.910 -9.153 66 HD12 LEU 8 HD12 LEU 8 -13.839 -15.383 -10.179 67 HD13 LEU 8 HD13 LEU 8 -13.916 -13.748 -10.928 68 HD21 LEU 8 HD21 LEU 8 -11.487 -12.469 -9.385 69 HD22 LEU 8 HD22 LEU 8 -11.966 -12.329 -11.114 70 HD23 LEU 8 HD23 LEU 8 -10.312 -12.883 -10.696 71 H ALA 9 HN ALA 9 -8.847 -14.611 -7.589 72 HA ALA 9 HA ALA 9 -7.698 -12.395 -8.781 73 HB1 ALA 9 HB1 ALA 9 -7.100 -13.701 -6.071 74 HB2 ALA 9 HB2 ALA 9 -6.696 -12.001 -6.539 75 HB3 ALA 9 HB3 ALA 9 -8.413 -12.520 -6.401 76 H ALA 10 HN ALA 10 -6.144 -15.546 -7.957 77 HA ALA 10 HA ALA 10 -3.540 -14.832 -8.531 78 HB1 ALA 10 HB1 ALA 10 -3.194 -17.295 -8.886 79 HB2 ALA 10 HB2 ALA 10 -4.228 -16.970 -7.450 80 HB3 ALA 10 HB3 ALA 10 -4.988 -17.511 -8.989 81 H LYS 11 HN LYS 11 -6.137 -15.510 -10.865 82 HA LYS 11 HA LYS 11 -4.188 -15.560 -13.070 83 HB2 LYS 11 HB1 LYS 11 -7.248 -15.774 -13.162 84 HB3 LYS 11 HB2 LYS 11 -6.098 -16.116 -14.499 85 HG2 LYS 11 HG1 LYS 11 -5.116 -17.999 -13.107 86 HG3 LYS 11 HG2 LYS 11 -6.323 -17.649 -11.836 87 HD2 LYS 11 HD1 LYS 11 -8.116 -18.002 -13.783 88 HD3 LYS 11 HD2 LYS 11 -6.759 -18.749 -14.664 89 HE2 LYS 11 HE1 LYS 11 -7.957 -20.575 -13.574 90 HE3 LYS 11 HE2 LYS 11 -6.430 -20.336 -12.632 91 HZ1 LYS 11 HZ1 LYS 11 -8.224 -20.452 -11.063 92 HZ2 LYS 11 HZ2 LYS 11 -9.174 -19.382 -11.961 93 HZ3 LYS 11 HZ3 LYS 11 -7.805 -18.844 -11.156 94 H PHE 12 HN PHE 12 -7.145 -13.640 -12.185 95 HA PHE 12 HA PHE 12 -6.646 -11.747 -14.256 96 HB2 PHE 12 HB1 PHE 12 -8.928 -12.396 -13.345 97 HB3 PHE 12 HB2 PHE 12 -8.523 -11.571 -11.803 98 HD1 PHE 12 HD1 PHE 12 -8.866 -9.219 -11.625 99 HD2 PHE 12 HD2 PHE 12 -8.885 -11.053 -15.514 100 HE1 PHE 12 HE1 PHE 12 -9.648 -7.092 -12.628 101 HE2 PHE 12 HE2 PHE 12 -9.664 -8.926 -16.511 102 HZ PHE 12 HZ PHE 12 -10.043 -6.946 -15.072 103 H GLY 13 HN GLY 13 -6.148 -11.704 -10.719 104 HA2 GLY 13 HA1 GLY 13 -5.192 -8.938 -10.821 105 HA3 GLY 13 HA2 GLY 13 -5.886 -9.825 -9.443 106 HA PRO 14 HA PRO 14 -1.840 -11.273 -8.336 107 HB2 PRO 14 HB1 PRO 14 0.134 -12.375 -9.961 108 HB3 PRO 14 HB2 PRO 14 -1.381 -13.279 -9.579 109 HG2 PRO 14 HG1 PRO 14 -0.854 -11.559 -12.066 110 HG3 PRO 14 HG2 PRO 14 -1.421 -13.283 -11.994 111 HD2 PRO 14 HD1 PRO 14 -3.241 -11.218 -12.210 112 HD3 PRO 14 HD2 PRO 14 -3.581 -12.650 -11.143 113 H LYS 15 HN LYS 15 -2.004 -9.183 -10.901 114 HA LYS 15 HA LYS 15 0.352 -7.699 -10.853 115 HB2 LYS 15 HB1 LYS 15 -2.320 -6.292 -11.155 116 HB3 LYS 15 HB2 LYS 15 -0.870 -6.183 -12.177 117 HG2 LYS 15 HG1 LYS 15 -3.037 -8.420 -12.196 118 HG3 LYS 15 HG2 LYS 15 -2.874 -7.044 -13.308 119 HD2 LYS 15 HD1 LYS 15 -0.574 -7.926 -13.977 120 HD3 LYS 15 HD2 LYS 15 -0.966 -9.457 -13.150 121 HE2 LYS 15 HE1 LYS 15 -2.594 -8.150 -15.462 122 HE3 LYS 15 HE2 LYS 15 -1.364 -9.449 -15.674 123 HZ1 LYS 15 HZ1 LYS 15 -3.912 -9.741 -14.125 124 HZ2 LYS 15 HZ2 LYS 15 -2.765 -10.947 -14.398 125 HZ3 LYS 15 HZ3 LYS 15 -3.622 -10.282 -15.680 126 H LEU 16 HN LEU 16 -2.669 -7.433 -8.834 127 HA LEU 16 HA LEU 16 -1.546 -5.303 -7.266 128 HB2 LEU 16 HB1 LEU 16 -3.580 -5.141 -6.105 129 HB3 LEU 16 HB2 LEU 16 -3.968 -5.432 -7.817 130 HG LEU 16 HG LEU 16 -4.082 -8.021 -6.902 131 HD11 LEU 16 HD11 LEU 16 -5.231 -8.074 -4.699 132 HD12 LEU 16 HD12 LEU 16 -5.014 -6.296 -4.514 133 HD13 LEU 16 HD13 LEU 16 -3.579 -7.384 -4.505 134 HD21 LEU 16 HD21 LEU 16 -6.335 -5.929 -6.687 135 HD22 LEU 16 HD22 LEU 16 -6.547 -7.715 -6.785 136 HD23 LEU 16 HD23 LEU 16 -5.848 -6.814 -8.183 137 H PHE 17 HN PHE 17 -1.947 -8.834 -6.869 138 HA PHE 17 HA PHE 17 -1.067 -8.985 -4.217 139 HB2 PHE 17 HB1 PHE 17 -0.701 -10.995 -6.525 140 HB3 PHE 17 HB2 PHE 17 -0.292 -11.355 -4.810 141 HD1 PHE 17 HD1 PHE 17 -2.133 -12.917 -6.520 142 HD2 PHE 17 HD2 PHE 17 -2.907 -9.763 -3.678 143 HE1 PHE 17 HE1 PHE 17 -4.308 -13.940 -5.950 144 HE2 PHE 17 HE2 PHE 17 -5.059 -10.781 -3.141 145 HZ PHE 17 HZ PHE 17 -5.764 -12.883 -4.237 146 H SER 18 HN SER 18 0.886 -8.902 -7.209 147 HA SER 18 HA SER 18 3.389 -9.196 -6.046 148 HB2 SER 18 HB1 SER 18 2.993 -9.146 -8.507 149 HB3 SER 18 HB2 SER 18 2.611 -7.398 -8.418 150 HG SER 18 HG1 SER 18 4.818 -8.057 -9.042 151 H LEU 19 HN LEU 19 1.399 -6.173 -6.209 152 HA LEU 19 HA LEU 19 3.482 -4.510 -5.222 153 HB2 LEU 19 HB1 LEU 19 0.440 -4.169 -5.089 154 HB3 LEU 19 HB2 LEU 19 1.645 -2.880 -4.778 155 HG LEU 19 HG LEU 19 1.266 -4.334 -7.463 156 HD11 LEU 19 HD11 LEU 19 0.379 -1.523 -6.561 157 HD12 LEU 19 HD12 LEU 19 -0.703 -2.938 -6.839 158 HD13 LEU 19 HD13 LEU 19 0.208 -2.216 -8.217 159 HD21 LEU 19 HD21 LEU 19 2.677 -2.477 -8.384 160 HD22 LEU 19 HD22 LEU 19 3.601 -3.476 -7.205 161 HD23 LEU 19 HD23 LEU 19 2.956 -1.858 -6.716 162 H VAL 20 HN VAL 20 0.713 -6.092 -3.497 163 HA VAL 20 HA VAL 20 1.562 -5.037 -0.999 164 HB VAL 20 HB VAL 20 -0.753 -5.400 -1.481 165 HG11 VAL 20 HG11 VAL 20 -0.615 -7.476 -2.848 166 HG12 VAL 20 HG12 VAL 20 -0.140 -8.431 -1.382 167 HG13 VAL 20 HG13 VAL 20 -1.763 -7.664 -1.475 168 HG21 VAL 20 HG21 VAL 20 0.208 -7.147 0.885 169 HG22 VAL 20 HG22 VAL 20 0.093 -5.348 0.890 170 HG23 VAL 20 HG23 VAL 20 -1.391 -6.347 0.702 171 H THR 21 HN THR 21 2.199 -8.223 -2.519 172 HA THR 21 HA THR 21 2.812 -9.325 0.056 173 HB THR 21 HB THR 21 1.592 -10.427 -1.886 174 HG1 THR 21 HG1 THR 21 2.351 -12.439 -1.231 175 HG21 THR 21 HG21 THR 21 3.508 -10.073 -3.588 176 HG22 THR 21 HG22 THR 21 2.897 -11.764 -3.459 177 HG23 THR 21 HG23 THR 21 4.451 -11.313 -2.681 178 H LYS 22 HN LYS 22 4.739 -7.249 -1.204 179 HA LYS 22 HA LYS 22 7.105 -8.699 -1.825 180 HB2 LYS 22 HB1 LYS 22 6.826 -5.735 -1.094 181 HB3 LYS 22 HB2 LYS 22 8.261 -6.527 -1.825 182 HG2 LYS 22 HG1 LYS 22 6.591 -7.333 -3.684 183 HG3 LYS 22 HG2 LYS 22 5.513 -6.036 -3.074 184 HD2 LYS 22 HD1 LYS 22 7.388 -4.361 -3.425 185 HD3 LYS 22 HD2 LYS 22 8.413 -5.665 -4.087 186 HE2 LYS 22 HE1 LYS 22 5.812 -4.505 -5.298 187 HE3 LYS 22 HE2 LYS 22 7.487 -4.405 -5.979 188 HZ1 LYS 22 HZ1 LYS 22 5.746 -6.769 -5.651 189 HZ2 LYS 22 HZ2 LYS 22 7.380 -6.924 -6.054 190 HZ3 LYS 22 HZ3 LYS 22 6.278 -6.149 -7.106 191 H LYS 23 HN LYS 23 5.797 -7.916 1.275 192 HA LYS 23 HA LYS 23 8.433 -8.431 2.511 193 HB2 LYS 23 HB1 LYS 23 6.817 -6.488 3.249 194 HB3 LYS 23 HB2 LYS 23 5.880 -7.779 4.040 195 HG2 LYS 23 HG1 LYS 23 8.535 -8.318 4.895 196 HG3 LYS 23 HG2 LYS 23 8.585 -6.563 4.657 197 HD2 LYS 23 HD1 LYS 23 8.065 -6.978 6.981 198 HD3 LYS 23 HD2 LYS 23 6.622 -6.273 6.209 199 HE2 LYS 23 HE1 LYS 23 6.089 -8.133 7.842 200 HE3 LYS 23 HE2 LYS 23 5.483 -8.482 6.177 201 HZ1 LYS 23 HZ1 LYS 23 8.084 -9.496 7.221 202 HZ2 LYS 23 HZ2 LYS 23 7.280 -9.915 5.792 203 HZ3 LYS 23 HZ3 LYS 23 6.625 -10.368 7.278 204 H SER 24 HN SER 24 6.331 -10.417 1.129 205 HA SER 24 HA SER 24 6.105 -12.330 3.361 206 HB2 SER 24 HB1 SER 24 4.062 -11.904 1.947 207 HB3 SER 24 HB2 SER 24 4.956 -12.531 0.525 208 HG SER 24 HG1 SER 24 3.646 -14.111 1.664 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 -13.904 -27.588 0.143 2 HA PHE 1 HA PHE 1 -13.012 -27.673 -2.347 3 HB2 PHE 1 HB1 PHE 1 -14.306 -25.223 -0.992 4 HB3 PHE 1 HB2 PHE 1 -14.208 -25.471 -2.786 5 HD1 PHE 1 HD1 PHE 1 -15.066 -27.744 -3.700 6 HD2 PHE 1 HD2 PHE 1 -16.197 -26.110 0.113 7 HE1 PHE 1 HE1 PHE 1 -17.088 -29.169 -3.689 8 HE2 PHE 1 HE2 PHE 1 -18.220 -27.536 0.119 9 HZ PHE 1 HZ PHE 1 -18.668 -29.066 -1.779 10 H LEU 2 HN LEU 2 -12.546 -24.381 -2.282 11 HA LEU 2 HA LEU 2 -9.741 -24.395 -1.818 12 HB2 LEU 2 HB1 LEU 2 -8.967 -24.104 -4.084 13 HB3 LEU 2 HB2 LEU 2 -9.934 -25.598 -4.079 14 HG LEU 2 HG LEU 2 -10.923 -22.846 -5.077 15 HD11 LEU 2 HD11 LEU 2 -9.033 -23.681 -6.436 16 HD12 LEU 2 HD12 LEU 2 -10.577 -23.765 -7.356 17 HD13 LEU 2 HD13 LEU 2 -9.867 -25.267 -6.655 18 HD21 LEU 2 HD21 LEU 2 -12.868 -24.255 -4.481 19 HD22 LEU 2 HD22 LEU 2 -12.156 -25.663 -5.370 20 HD23 LEU 2 HD23 LEU 2 -12.696 -24.196 -6.267 21 HA PRO 3 HA PRO 3 -11.180 -20.225 -1.620 22 HB2 PRO 3 HB1 PRO 3 -8.925 -18.649 -1.723 23 HB3 PRO 3 HB2 PRO 3 -9.218 -19.832 -0.393 24 HG2 PRO 3 HG1 PRO 3 -7.509 -20.267 -2.906 25 HG3 PRO 3 HG2 PRO 3 -7.044 -20.559 -1.178 26 HD2 PRO 3 HD1 PRO 3 -7.988 -22.577 -2.825 27 HD3 PRO 3 HD2 PRO 3 -8.442 -22.515 -1.060 28 H ILE 4 HN ILE 4 -12.516 -19.917 -3.364 29 HA ILE 4 HA ILE 4 -11.762 -19.814 -6.010 30 HB ILE 4 HB ILE 4 -14.238 -18.617 -4.698 31 HG12 ILE 4 HG11 ILE 4 -13.734 -21.412 -5.902 32 HG13 ILE 4 HG12 ILE 4 -13.808 -21.067 -4.150 33 HG21 ILE 4 HG21 ILE 4 -13.923 -17.782 -7.062 34 HG22 ILE 4 HG22 ILE 4 -13.676 -19.478 -7.625 35 HG23 ILE 4 HG23 ILE 4 -15.271 -18.949 -6.983 36 HD11 ILE 4 HD1 ILE 4 -16.139 -20.750 -6.143 37 HD12 ILE 4 HD2 ILE 4 -15.964 -21.970 -4.839 38 HD13 ILE 4 HD3 ILE 4 -16.188 -20.236 -4.416 39 H LEU 5 HN LEU 5 -12.330 -17.004 -3.819 40 HA LEU 5 HA LEU 5 -11.922 -15.031 -5.735 41 HB2 LEU 5 HB1 LEU 5 -11.358 -14.957 -2.704 42 HB3 LEU 5 HB2 LEU 5 -11.417 -13.531 -3.781 43 HG LEU 5 HG LEU 5 -13.417 -13.553 -2.584 44 HD11 LEU 5 HD11 LEU 5 -14.156 -14.653 -5.367 45 HD12 LEU 5 HD12 LEU 5 -13.637 -12.960 -5.006 46 HD13 LEU 5 HD13 LEU 5 -15.163 -13.609 -4.305 47 HD21 LEU 5 HD21 LEU 5 -13.475 -15.960 -1.848 48 HD22 LEU 5 HD22 LEU 5 -14.164 -16.401 -3.470 49 HD23 LEU 5 HD23 LEU 5 -15.062 -15.301 -2.379 50 H ALA 6 HN ALA 6 -9.500 -16.609 -3.594 51 HA ALA 6 HA ALA 6 -7.297 -15.095 -4.513 52 HB1 ALA 6 HB1 ALA 6 -5.937 -16.896 -3.448 53 HB2 ALA 6 HB2 ALA 6 -7.298 -16.418 -2.376 54 HB3 ALA 6 HB3 ALA 6 -7.401 -17.941 -3.339 55 H SER 7 HN SER 7 -8.683 -18.201 -5.619 56 HA SER 7 HA SER 7 -6.773 -18.784 -7.588 57 HB2 SER 7 HB1 SER 7 -9.770 -19.502 -7.603 58 HB3 SER 7 HB2 SER 7 -8.477 -20.299 -8.571 59 HG SER 7 HG1 SER 7 -8.789 -20.290 -5.740 60 H LEU 8 HN LEU 8 -9.861 -16.951 -7.880 61 HA LEU 8 HA LEU 8 -9.632 -16.377 -10.626 62 HB2 LEU 8 HB1 LEU 8 -11.671 -16.285 -9.146 63 HB3 LEU 8 HB2 LEU 8 -11.053 -14.798 -8.388 64 HG LEU 8 HG LEU 8 -11.545 -15.028 -11.420 65 HD11 LEU 8 HD11 LEU 8 -13.834 -14.117 -11.037 66 HD12 LEU 8 HD12 LEU 8 -13.588 -14.220 -9.255 67 HD13 LEU 8 HD13 LEU 8 -13.633 -15.725 -10.251 68 HD21 LEU 8 HD21 LEU 8 -11.998 -12.546 -11.232 69 HD22 LEU 8 HD22 LEU 8 -10.314 -12.953 -10.766 70 HD23 LEU 8 HD23 LEU 8 -11.546 -12.609 -9.491 71 H ALA 9 HN ALA 9 -8.642 -14.490 -7.720 72 HA ALA 9 HA ALA 9 -7.563 -12.313 -9.058 73 HB1 ALA 9 HB1 ALA 9 -6.821 -13.539 -6.342 74 HB2 ALA 9 HB2 ALA 9 -6.405 -11.863 -6.876 75 HB3 ALA 9 HB3 ALA 9 -8.126 -12.338 -6.631 76 H ALA 10 HN ALA 10 -5.971 -15.415 -8.154 77 HA ALA 10 HA ALA 10 -3.397 -14.749 -8.876 78 HB1 ALA 10 HB1 ALA 10 -4.058 -16.803 -7.618 79 HB2 ALA 10 HB2 ALA 10 -4.843 -17.457 -9.098 80 HB3 ALA 10 HB3 ALA 10 -3.051 -17.224 -9.049 81 H LYS 11 HN LYS 11 -6.015 -15.913 -11.098 82 HA LYS 11 HA LYS 11 -4.149 -15.706 -13.342 83 HB2 LYS 11 HB1 LYS 11 -7.172 -16.177 -13.249 84 HB3 LYS 11 HB2 LYS 11 -6.223 -15.994 -14.762 85 HG2 LYS 11 HG1 LYS 11 -4.711 -17.896 -13.929 86 HG3 LYS 11 HG2 LYS 11 -5.964 -18.243 -12.695 87 HD2 LYS 11 HD1 LYS 11 -7.657 -18.590 -14.502 88 HD3 LYS 11 HD2 LYS 11 -6.470 -18.046 -15.734 89 HE2 LYS 11 HE1 LYS 11 -4.992 -20.043 -15.165 90 HE3 LYS 11 HE2 LYS 11 -6.286 -20.641 -14.052 91 HZ1 LYS 11 HZ1 LYS 11 -6.567 -20.139 -16.981 92 HZ2 LYS 11 HZ2 LYS 11 -7.794 -20.692 -15.954 93 HZ3 LYS 11 HZ3 LYS 11 -6.424 -21.652 -16.238 94 H PHE 12 HN PHE 12 -6.987 -13.739 -12.199 95 HA PHE 12 HA PHE 12 -6.758 -11.999 -14.427 96 HB2 PHE 12 HB1 PHE 12 -8.884 -12.516 -13.154 97 HB3 PHE 12 HB2 PHE 12 -8.236 -11.627 -11.738 98 HD1 PHE 12 HD1 PHE 12 -8.711 -9.326 -11.573 99 HD2 PHE 12 HD2 PHE 12 -8.977 -11.218 -15.423 100 HE1 PHE 12 HE1 PHE 12 -9.625 -7.234 -12.541 101 HE2 PHE 12 HE2 PHE 12 -9.886 -9.127 -16.387 102 HZ PHE 12 HZ PHE 12 -10.209 -7.135 -14.949 103 H GLY 13 HN GLY 13 -5.667 -11.663 -11.027 104 HA2 GLY 13 HA1 GLY 13 -4.431 -9.062 -11.695 105 HA3 GLY 13 HA2 GLY 13 -5.518 -9.330 -10.305 106 HA PRO 14 HA PRO 14 -2.066 -11.603 -8.437 107 HB2 PRO 14 HB1 PRO 14 0.173 -12.667 -9.753 108 HB3 PRO 14 HB2 PRO 14 -1.428 -13.499 -9.751 109 HG2 PRO 14 HG1 PRO 14 -0.352 -11.604 -11.918 110 HG3 PRO 14 HG2 PRO 14 -1.006 -13.288 -12.120 111 HD2 PRO 14 HD1 PRO 14 -2.669 -11.135 -12.497 112 HD3 PRO 14 HD2 PRO 14 -3.250 -12.589 -11.580 113 H LYS 15 HN LYS 15 -1.380 -9.280 -10.736 114 HA LYS 15 HA LYS 15 0.976 -8.063 -9.893 115 HB2 LYS 15 HB1 LYS 15 -1.550 -6.615 -10.909 116 HB3 LYS 15 HB2 LYS 15 0.156 -6.124 -11.097 117 HG2 LYS 15 HG1 LYS 15 0.017 -6.987 -13.172 118 HG3 LYS 15 HG2 LYS 15 0.146 -8.598 -12.422 119 HD2 LYS 15 HD1 LYS 15 -2.431 -8.635 -12.304 120 HD3 LYS 15 HD2 LYS 15 -2.436 -7.049 -13.147 121 HE2 LYS 15 HE1 LYS 15 -1.254 -8.169 -15.129 122 HE3 LYS 15 HE2 LYS 15 -1.422 -9.754 -14.279 123 HZ1 LYS 15 HZ1 LYS 15 -3.879 -9.399 -14.334 124 HZ2 LYS 15 HZ2 LYS 15 -3.186 -9.443 -15.857 125 HZ3 LYS 15 HZ3 LYS 15 -3.647 -7.968 -15.177 126 H LEU 16 HN LEU 16 -2.366 -7.859 -8.516 127 HA LEU 16 HA LEU 16 -1.707 -5.684 -6.810 128 HB2 LEU 16 HB1 LEU 16 -3.836 -5.888 -5.814 129 HB3 LEU 16 HB2 LEU 16 -4.015 -6.212 -7.556 130 HG LEU 16 HG LEU 16 -3.780 -8.794 -6.687 131 HD11 LEU 16 HD11 LEU 16 -5.155 -7.313 -4.345 132 HD12 LEU 16 HD12 LEU 16 -3.574 -8.173 -4.242 133 HD13 LEU 16 HD13 LEU 16 -5.079 -9.097 -4.583 134 HD21 LEU 16 HD21 LEU 16 -6.263 -8.900 -6.751 135 HD22 LEU 16 HD22 LEU 16 -5.622 -7.854 -8.072 136 HD23 LEU 16 HD23 LEU 16 -6.359 -7.105 -6.602 137 H PHE 17 HN PHE 17 -1.500 -9.227 -6.405 138 HA PHE 17 HA PHE 17 -0.966 -9.172 -3.638 139 HB2 PHE 17 HB1 PHE 17 -0.147 -11.222 -5.795 140 HB3 PHE 17 HB2 PHE 17 0.007 -11.498 -4.021 141 HD1 PHE 17 HD1 PHE 17 -1.779 -12.700 -6.501 142 HD2 PHE 17 HD2 PHE 17 -2.496 -10.513 -2.868 143 HE1 PHE 17 HE1 PHE 17 -4.048 -13.680 -6.353 144 HE2 PHE 17 HE2 PHE 17 -4.753 -11.486 -2.727 145 HZ PHE 17 HZ PHE 17 -5.534 -13.079 -4.456 146 H SER 18 HN SER 18 1.332 -9.174 -6.446 147 HA SER 18 HA SER 18 3.617 -9.118 -4.771 148 HB2 SER 18 HB1 SER 18 4.891 -8.473 -6.821 149 HB3 SER 18 HB2 SER 18 3.873 -9.940 -7.024 150 HG SER 18 HG1 SER 18 3.714 -8.422 -8.770 151 H LEU 19 HN LEU 19 1.701 -6.461 -6.252 152 HA LEU 19 HA LEU 19 3.374 -4.418 -5.282 153 HB2 LEU 19 HB1 LEU 19 0.376 -4.511 -5.860 154 HB3 LEU 19 HB2 LEU 19 1.189 -2.998 -5.339 155 HG LEU 19 HG LEU 19 2.009 -4.582 -7.830 156 HD11 LEU 19 HD11 LEU 19 0.782 -2.836 -9.125 157 HD12 LEU 19 HD12 LEU 19 0.188 -2.101 -7.588 158 HD13 LEU 19 HD13 LEU 19 -0.329 -3.768 -8.053 159 HD21 LEU 19 HD21 LEU 19 3.827 -3.113 -6.954 160 HD22 LEU 19 HD22 LEU 19 2.683 -1.717 -6.884 161 HD23 LEU 19 HD23 LEU 19 3.142 -2.435 -8.471 162 H VAL 20 HN VAL 20 0.550 -5.984 -3.569 163 HA VAL 20 HA VAL 20 0.997 -4.256 -1.337 164 HB VAL 20 HB VAL 20 -1.208 -5.093 -1.948 165 HG11 VAL 20 HG11 VAL 20 -0.615 -7.523 -2.323 166 HG12 VAL 20 HG12 VAL 20 -0.373 -7.715 -0.541 167 HG13 VAL 20 HG13 VAL 20 -1.991 -7.278 -1.188 168 HG21 VAL 20 HG21 VAL 20 -0.262 -5.588 0.959 169 HG22 VAL 20 HG22 VAL 20 -0.680 -3.988 0.230 170 HG23 VAL 20 HG23 VAL 20 -1.946 -5.250 0.423 171 H THR 21 HN THR 21 1.888 -7.772 -1.815 172 HA THR 21 HA THR 21 3.379 -7.499 0.719 173 HB THR 21 HB THR 21 1.583 -9.048 1.016 174 HG1 THR 21 HG1 THR 21 2.904 -10.625 1.881 175 HG21 THR 21 HG21 THR 21 1.461 -10.077 -1.275 176 HG22 THR 21 HG22 THR 21 1.688 -11.323 0.000 177 HG23 THR 21 HG23 THR 21 3.078 -10.830 -1.033 178 H LYS 22 HN LYS 22 5.404 -7.411 0.628 179 HA LYS 22 HA LYS 22 6.811 -8.304 -1.825 180 HB2 LYS 22 HB1 LYS 22 7.212 -5.896 0.033 181 HB3 LYS 22 HB2 LYS 22 8.304 -6.309 -1.328 182 HG2 LYS 22 HG1 LYS 22 6.651 -5.896 -2.991 183 HG3 LYS 22 HG2 LYS 22 5.295 -5.857 -1.851 184 HD2 LYS 22 HD1 LYS 22 7.598 -3.814 -1.814 185 HD3 LYS 22 HD2 LYS 22 6.107 -3.584 -2.767 186 HE2 LYS 22 HE1 LYS 22 6.137 -3.928 0.322 187 HE3 LYS 22 HE2 LYS 22 6.100 -2.356 -0.562 188 HZ1 LYS 22 HZ1 LYS 22 3.924 -4.273 -0.177 189 HZ2 LYS 22 HZ2 LYS 22 4.080 -3.683 -1.729 190 HZ3 LYS 22 HZ3 LYS 22 3.926 -2.605 -0.482 191 H LYS 23 HN LYS 23 6.270 -9.510 1.024 192 HA LYS 23 HA LYS 23 9.087 -10.347 1.434 193 HB2 LYS 23 HB1 LYS 23 6.866 -10.299 3.560 194 HB3 LYS 23 HB2 LYS 23 8.519 -10.974 3.750 195 HG2 LYS 23 HG1 LYS 23 9.357 -8.572 3.112 196 HG3 LYS 23 HG2 LYS 23 7.713 -8.031 3.554 197 HD2 LYS 23 HD1 LYS 23 9.738 -9.587 5.298 198 HD3 LYS 23 HD2 LYS 23 9.354 -7.841 5.439 199 HE2 LYS 23 HE1 LYS 23 7.011 -8.400 6.180 200 HE3 LYS 23 HE2 LYS 23 7.373 -10.165 6.018 201 HZ1 LYS 23 HZ1 LYS 23 9.104 -9.914 7.676 202 HZ2 LYS 23 HZ2 LYS 23 7.611 -9.406 8.288 203 HZ3 LYS 23 HZ3 LYS 23 8.775 -8.262 7.839 204 H SER 24 HN SER 24 6.740 -11.291 -0.380 205 HA SER 24 HA SER 24 7.239 -14.056 0.022 206 HB2 SER 24 HB1 SER 24 5.335 -13.849 1.637 207 HB3 SER 24 HB2 SER 24 4.332 -13.081 0.353 208 HG SER 24 HG1 SER 24 4.062 -15.433 0.665 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 -14.291 -27.771 0.234 2 HA PHE 1 HA PHE 1 -13.157 -27.644 -2.212 3 HB2 PHE 1 HB1 PHE 1 -14.793 -25.449 -0.790 4 HB3 PHE 1 HB2 PHE 1 -14.492 -25.501 -2.576 5 HD1 PHE 1 HD1 PHE 1 -15.089 -27.666 -3.824 6 HD2 PHE 1 HD2 PHE 1 -16.668 -26.646 0.042 7 HE1 PHE 1 HE1 PHE 1 -16.966 -29.245 -4.173 8 HE2 PHE 1 HE2 PHE 1 -18.547 -28.215 -0.314 9 HZ PHE 1 HZ PHE 1 -18.699 -29.515 -2.419 10 H LEU 2 HN LEU 2 -12.879 -24.479 -2.253 11 HA LEU 2 HA LEU 2 -10.303 -24.127 -1.139 12 HB2 LEU 2 HB1 LEU 2 -8.981 -24.031 -3.168 13 HB3 LEU 2 HB2 LEU 2 -9.753 -25.633 -3.125 14 HG LEU 2 HG LEU 2 -10.751 -23.249 -4.812 15 HD11 LEU 2 HD11 LEU 2 -9.692 -24.408 -6.737 16 HD12 LEU 2 HD12 LEU 2 -9.039 -25.673 -5.634 17 HD13 LEU 2 HD13 LEU 2 -8.464 -23.970 -5.488 18 HD21 LEU 2 HD21 LEU 2 -11.498 -26.246 -4.881 19 HD22 LEU 2 HD22 LEU 2 -11.954 -25.039 -6.139 20 HD23 LEU 2 HD23 LEU 2 -12.592 -24.865 -4.471 21 HA PRO 3 HA PRO 3 -12.071 -20.204 -1.798 22 HB2 PRO 3 HB1 PRO 3 -10.004 -18.370 -1.660 23 HB3 PRO 3 HB2 PRO 3 -10.482 -19.428 -0.280 24 HG2 PRO 3 HG1 PRO 3 -8.233 -19.942 -2.304 25 HG3 PRO 3 HG2 PRO 3 -8.132 -19.979 -0.494 26 HD2 PRO 3 HD1 PRO 3 -8.494 -22.277 -1.963 27 HD3 PRO 3 HD2 PRO 3 -9.401 -22.032 -0.399 28 H ILE 4 HN ILE 4 -13.084 -20.124 -3.748 29 HA ILE 4 HA ILE 4 -11.937 -20.102 -6.237 30 HB ILE 4 HB ILE 4 -14.626 -18.890 -5.458 31 HG12 ILE 4 HG11 ILE 4 -14.527 -21.122 -4.469 32 HG13 ILE 4 HG12 ILE 4 -15.594 -21.112 -5.891 33 HG21 ILE 4 HG21 ILE 4 -13.570 -20.072 -8.118 34 HG22 ILE 4 HG22 ILE 4 -15.284 -19.635 -7.785 35 HG23 ILE 4 HG23 ILE 4 -14.028 -18.355 -7.808 36 HD11 ILE 4 HD1 ILE 4 -13.777 -22.194 -7.281 37 HD12 ILE 4 HD2 ILE 4 -12.711 -22.241 -5.822 38 HD13 ILE 4 HD3 ILE 4 -14.241 -23.179 -5.853 39 H LEU 5 HN LEU 5 -12.981 -17.227 -4.344 40 HA LEU 5 HA LEU 5 -12.418 -15.315 -6.276 41 HB2 LEU 5 HB1 LEU 5 -12.269 -15.087 -3.203 42 HB3 LEU 5 HB2 LEU 5 -12.268 -13.713 -4.346 43 HG LEU 5 HG LEU 5 -14.402 -13.810 -3.419 44 HD11 LEU 5 HD11 LEU 5 -14.341 -13.339 -5.875 45 HD12 LEU 5 HD12 LEU 5 -15.904 -14.053 -5.341 46 HD13 LEU 5 HD13 LEU 5 -14.709 -15.075 -6.213 47 HD21 LEU 5 HD21 LEU 5 -14.416 -16.180 -2.571 48 HD22 LEU 5 HD22 LEU 5 -14.863 -16.736 -4.242 49 HD23 LEU 5 HD23 LEU 5 -15.955 -15.647 -3.332 50 H ALA 6 HN ALA 6 -10.233 -16.664 -3.751 51 HA ALA 6 HA ALA 6 -8.007 -15.069 -4.443 52 HB1 ALA 6 HB1 ALA 6 -8.133 -17.860 -3.149 53 HB2 ALA 6 HB2 ALA 6 -6.713 -16.747 -3.122 54 HB3 ALA 6 HB3 ALA 6 -8.225 -16.291 -2.264 55 H SER 7 HN SER 7 -9.068 -18.302 -5.585 56 HA SER 7 HA SER 7 -6.864 -18.771 -7.268 57 HB2 SER 7 HB1 SER 7 -8.666 -20.477 -6.586 58 HB3 SER 7 HB2 SER 7 -9.739 -19.729 -7.801 59 HG SER 7 HG1 SER 7 -7.399 -21.250 -8.107 60 H LEU 8 HN LEU 8 -9.971 -17.099 -8.026 61 HA LEU 8 HA LEU 8 -9.325 -16.581 -10.733 62 HB2 LEU 8 HB1 LEU 8 -11.606 -16.585 -9.684 63 HB3 LEU 8 HB2 LEU 8 -11.199 -15.107 -8.779 64 HG LEU 8 HG LEU 8 -12.686 -14.873 -10.809 65 HD11 LEU 8 HD11 LEU 8 -11.826 -12.753 -11.591 66 HD12 LEU 8 HD12 LEU 8 -10.162 -13.133 -11.042 67 HD13 LEU 8 HD13 LEU 8 -11.483 -12.904 -9.829 68 HD21 LEU 8 HD21 LEU 8 -10.133 -15.285 -12.485 69 HD22 LEU 8 HD22 LEU 8 -11.765 -14.831 -13.079 70 HD23 LEU 8 HD23 LEU 8 -11.508 -16.457 -12.353 71 H ALA 9 HN ALA 9 -8.960 -14.566 -7.760 72 HA ALA 9 HA ALA 9 -7.903 -12.334 -9.001 73 HB1 ALA 9 HB1 ALA 9 -7.238 -11.657 -6.703 74 HB2 ALA 9 HB2 ALA 9 -8.870 -12.411 -6.689 75 HB3 ALA 9 HB3 ALA 9 -7.447 -13.364 -6.140 76 H ALA 10 HN ALA 10 -6.150 -15.189 -7.684 77 HA ALA 10 HA ALA 10 -3.570 -14.265 -8.096 78 HB1 ALA 10 HB1 ALA 10 -4.175 -16.290 -6.766 79 HB2 ALA 10 HB2 ALA 10 -4.705 -17.122 -8.271 80 HB3 ALA 10 HB3 ALA 10 -2.962 -16.700 -8.033 81 H LYS 11 HN LYS 11 -5.800 -15.721 -10.489 82 HA LYS 11 HA LYS 11 -3.736 -15.852 -12.531 83 HB2 LYS 11 HB1 LYS 11 -6.787 -16.138 -12.579 84 HB3 LYS 11 HB2 LYS 11 -5.748 -16.418 -14.015 85 HG2 LYS 11 HG1 LYS 11 -4.789 -18.398 -13.112 86 HG3 LYS 11 HG2 LYS 11 -5.192 -17.944 -11.429 87 HD2 LYS 11 HD1 LYS 11 -7.620 -18.151 -11.929 88 HD3 LYS 11 HD2 LYS 11 -7.241 -18.816 -13.554 89 HE2 LYS 11 HE1 LYS 11 -6.269 -20.831 -12.624 90 HE3 LYS 11 HE2 LYS 11 -6.045 -20.075 -10.995 91 HZ1 LYS 11 HZ1 LYS 11 -8.777 -20.245 -12.015 92 HZ2 LYS 11 HZ2 LYS 11 -8.156 -20.391 -10.439 93 HZ3 LYS 11 HZ3 LYS 11 -8.031 -21.689 -11.508 94 H PHE 12 HN PHE 12 -6.658 -13.789 -11.977 95 HA PHE 12 HA PHE 12 -6.195 -12.198 -14.263 96 HB2 PHE 12 HB1 PHE 12 -8.430 -12.578 -13.130 97 HB3 PHE 12 HB2 PHE 12 -7.864 -11.617 -11.723 98 HD1 PHE 12 HD1 PHE 12 -8.295 -9.301 -11.738 99 HD2 PHE 12 HD2 PHE 12 -8.298 -11.423 -15.475 100 HE1 PHE 12 HE1 PHE 12 -9.071 -7.254 -12.903 101 HE2 PHE 12 HE2 PHE 12 -9.069 -9.378 -16.636 102 HZ PHE 12 HZ PHE 12 -9.455 -7.293 -15.354 103 H GLY 13 HN GLY 13 -5.313 -11.758 -10.842 104 HA2 GLY 13 HA1 GLY 13 -4.029 -9.171 -11.457 105 HA3 GLY 13 HA2 GLY 13 -5.053 -9.538 -10.042 106 HA PRO 14 HA PRO 14 -1.271 -11.747 -8.462 107 HB2 PRO 14 HB1 PRO 14 0.926 -12.424 -10.056 108 HB3 PRO 14 HB2 PRO 14 -0.537 -13.469 -9.919 109 HG2 PRO 14 HG1 PRO 14 0.039 -11.401 -12.111 110 HG3 PRO 14 HG2 PRO 14 -0.439 -13.140 -12.302 111 HD2 PRO 14 HD1 PRO 14 -2.352 -11.167 -12.409 112 HD3 PRO 14 HD2 PRO 14 -2.682 -12.719 -11.549 113 H LYS 15 HN LYS 15 -0.890 -9.377 -10.878 114 HA LYS 15 HA LYS 15 1.273 -7.839 -10.095 115 HB2 LYS 15 HB1 LYS 15 -1.497 -7.113 -11.230 116 HB3 LYS 15 HB2 LYS 15 -0.108 -5.986 -11.242 117 HG2 LYS 15 HG1 LYS 15 1.002 -7.064 -12.936 118 HG3 LYS 15 HG2 LYS 15 0.394 -8.686 -12.550 119 HD2 LYS 15 HD1 LYS 15 -1.391 -6.496 -13.788 120 HD3 LYS 15 HD2 LYS 15 -0.396 -7.633 -14.756 121 HE2 LYS 15 HE1 LYS 15 -1.571 -9.603 -13.744 122 HE3 LYS 15 HE2 LYS 15 -2.598 -8.480 -12.770 123 HZ1 LYS 15 HZ1 LYS 15 -2.601 -8.842 -15.729 124 HZ2 LYS 15 HZ2 LYS 15 -3.419 -7.580 -14.938 125 HZ3 LYS 15 HZ3 LYS 15 -3.806 -9.185 -14.594 126 H LEU 16 HN LEU 16 -2.137 -7.726 -8.741 127 HA LEU 16 HA LEU 16 -1.493 -5.451 -7.141 128 HB2 LEU 16 HB1 LEU 16 -3.679 -5.492 -6.271 129 HB3 LEU 16 HB2 LEU 16 -3.773 -5.908 -8.000 130 HG LEU 16 HG LEU 16 -3.720 -8.445 -6.952 131 HD11 LEU 16 HD11 LEU 16 -5.181 -6.748 -4.824 132 HD12 LEU 16 HD12 LEU 16 -3.654 -7.666 -4.551 133 HD13 LEU 16 HD13 LEU 16 -5.172 -8.546 -4.938 134 HD21 LEU 16 HD21 LEU 16 -6.214 -6.649 -7.176 135 HD22 LEU 16 HD22 LEU 16 -6.188 -8.451 -7.206 136 HD23 LEU 16 HD23 LEU 16 -5.408 -7.519 -8.538 137 H PHE 17 HN PHE 17 -1.624 -8.954 -6.475 138 HA PHE 17 HA PHE 17 -1.060 -8.806 -3.736 139 HB2 PHE 17 HB1 PHE 17 -0.421 -11.007 -5.806 140 HB3 PHE 17 HB2 PHE 17 -0.259 -11.215 -4.020 141 HD1 PHE 17 HD1 PHE 17 -2.572 -11.217 -6.816 142 HD2 PHE 17 HD2 PHE 17 -2.286 -10.823 -2.548 143 HE1 PHE 17 HE1 PHE 17 -4.975 -11.685 -6.621 144 HE2 PHE 17 HE2 PHE 17 -4.706 -11.310 -2.343 145 HZ PHE 17 HZ PHE 17 -6.060 -11.743 -4.376 146 H SER 18 HN SER 18 1.138 -9.031 -6.537 147 HA SER 18 HA SER 18 3.562 -9.107 -5.166 148 HB2 SER 18 HB1 SER 18 2.979 -7.756 -7.876 149 HB3 SER 18 HB2 SER 18 4.599 -8.244 -7.258 150 HG SER 18 HG1 SER 18 2.413 -9.937 -7.945 151 H LEU 19 HN LEU 19 1.645 -6.224 -6.193 152 HA LEU 19 HA LEU 19 3.502 -4.335 -5.242 153 HB2 LEU 19 HB1 LEU 19 0.468 -4.206 -5.619 154 HB3 LEU 19 HB2 LEU 19 1.450 -2.779 -5.156 155 HG LEU 19 HG LEU 19 1.912 -4.383 -7.728 156 HD11 LEU 19 HD11 LEU 19 -0.358 -3.357 -7.731 157 HD12 LEU 19 HD12 LEU 19 0.737 -2.511 -8.886 158 HD13 LEU 19 HD13 LEU 19 0.351 -1.755 -7.295 159 HD21 LEU 19 HD21 LEU 19 2.921 -1.609 -6.819 160 HD22 LEU 19 HD22 LEU 19 3.176 -2.346 -8.443 161 HD23 LEU 19 HD23 LEU 19 3.924 -3.102 -6.994 162 H VAL 20 HN VAL 20 0.772 -5.938 -3.458 163 HA VAL 20 HA VAL 20 1.397 -4.289 -1.166 164 HB VAL 20 HB VAL 20 -0.870 -4.729 -1.653 165 HG11 VAL 20 HG11 VAL 20 -1.953 -6.885 -1.246 166 HG12 VAL 20 HG12 VAL 20 -0.711 -7.075 -2.531 167 HG13 VAL 20 HG13 VAL 20 -0.391 -7.676 -0.853 168 HG21 VAL 20 HG21 VAL 20 -0.091 -4.169 0.669 169 HG22 VAL 20 HG22 VAL 20 -1.565 -5.200 0.669 170 HG23 VAL 20 HG23 VAL 20 0.030 -5.930 1.054 171 H THR 21 HN THR 21 1.776 -7.893 -1.724 172 HA THR 21 HA THR 21 3.025 -7.947 0.934 173 HB THR 21 HB THR 21 1.064 -9.283 0.746 174 HG1 THR 21 HG1 THR 21 2.031 -11.117 1.653 175 HG21 THR 21 HG21 THR 21 1.233 -10.118 -1.609 176 HG22 THR 21 HG22 THR 21 1.105 -11.473 -0.437 177 HG23 THR 21 HG23 THR 21 2.695 -11.081 -1.176 178 H LYS 22 HN LYS 22 4.661 -6.804 -0.428 179 HA LYS 22 HA LYS 22 6.526 -8.107 -2.013 180 HB2 LYS 22 HB1 LYS 22 6.882 -5.789 -0.031 181 HB3 LYS 22 HB2 LYS 22 8.026 -6.171 -1.358 182 HG2 LYS 22 HG1 LYS 22 6.446 -5.622 -3.070 183 HG3 LYS 22 HG2 LYS 22 5.063 -5.539 -1.968 184 HD2 LYS 22 HD1 LYS 22 7.496 -3.645 -1.873 185 HD3 LYS 22 HD2 LYS 22 5.968 -3.285 -2.724 186 HE2 LYS 22 HE1 LYS 22 6.226 -3.721 0.346 187 HE3 LYS 22 HE2 LYS 22 6.087 -2.142 -0.514 188 HZ1 LYS 22 HZ1 LYS 22 3.996 -4.104 0.047 189 HZ2 LYS 22 HZ2 LYS 22 4.007 -3.500 -1.511 190 HZ3 LYS 22 HZ3 LYS 22 3.938 -2.423 -0.242 191 H LYS 23 HN LYS 23 6.459 -7.829 1.561 192 HA LYS 23 HA LYS 23 8.370 -10.098 1.599 193 HB2 LYS 23 HB1 LYS 23 9.412 -8.109 2.764 194 HB3 LYS 23 HB2 LYS 23 7.955 -7.975 3.779 195 HG2 LYS 23 HG1 LYS 23 8.666 -10.662 4.243 196 HG3 LYS 23 HG2 LYS 23 10.244 -9.973 3.834 197 HD2 LYS 23 HD1 LYS 23 9.900 -10.006 6.256 198 HD3 LYS 23 HD2 LYS 23 10.059 -8.326 5.684 199 HE2 LYS 23 HE1 LYS 23 8.305 -8.711 7.506 200 HE3 LYS 23 HE2 LYS 23 7.684 -7.874 6.035 201 HZ1 LYS 23 HZ1 LYS 23 6.283 -9.741 6.980 202 HZ2 LYS 23 HZ2 LYS 23 7.415 -10.827 6.340 203 HZ3 LYS 23 HZ3 LYS 23 6.607 -9.784 5.327 204 H SER 24 HN SER 24 6.845 -11.732 1.583 205 HA SER 24 HA SER 24 4.525 -11.576 3.309 206 HB2 SER 24 HB1 SER 24 4.416 -12.690 1.092 207 HB3 SER 24 HB2 SER 24 5.566 -13.947 1.671 208 HG SER 24 HG1 SER 24 3.361 -14.588 1.915 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 -14.279 -23.553 -0.642 2 HA PHE 1 HA PHE 1 -13.377 -25.824 -0.412 3 HB2 PHE 1 HB1 PHE 1 -12.904 -25.475 -3.453 4 HB3 PHE 1 HB2 PHE 1 -12.357 -26.897 -2.456 5 HD1 PHE 1 HD1 PHE 1 -14.296 -28.072 -1.076 6 HD2 PHE 1 HD2 PHE 1 -14.934 -25.624 -4.548 7 HE1 PHE 1 HE1 PHE 1 -16.523 -29.104 -1.399 8 HE2 PHE 1 HE2 PHE 1 -17.144 -26.688 -4.894 9 HZ PHE 1 HZ PHE 1 -17.939 -28.433 -3.318 10 H LEU 2 HN LEU 2 -10.989 -25.238 -2.681 11 HA LEU 2 HA LEU 2 -9.330 -23.690 -0.945 12 HB2 LEU 2 HB1 LEU 2 -9.133 -24.663 -3.827 13 HB3 LEU 2 HB2 LEU 2 -7.999 -23.412 -3.251 14 HG LEU 2 HG LEU 2 -7.129 -24.841 -1.489 15 HD11 LEU 2 HD11 LEU 2 -9.069 -27.007 -2.505 16 HD12 LEU 2 HD12 LEU 2 -9.011 -26.272 -0.859 17 HD13 LEU 2 HD13 LEU 2 -7.654 -27.307 -1.412 18 HD21 LEU 2 HD21 LEU 2 -5.931 -26.473 -2.938 19 HD22 LEU 2 HD22 LEU 2 -6.090 -24.872 -3.746 20 HD23 LEU 2 HD23 LEU 2 -7.161 -26.234 -4.242 21 HA PRO 3 HA PRO 3 -11.195 -19.988 -1.342 22 HB2 PRO 3 HB1 PRO 3 -9.166 -17.988 -1.459 23 HB3 PRO 3 HB2 PRO 3 -9.678 -18.909 0.008 24 HG2 PRO 3 HG1 PRO 3 -7.389 -19.590 -1.916 25 HG3 PRO 3 HG2 PRO 3 -7.335 -19.502 -0.103 26 HD2 PRO 3 HD1 PRO 3 -7.626 -21.905 -1.358 27 HD3 PRO 3 HD2 PRO 3 -8.691 -21.538 0.078 28 H ILE 4 HN ILE 4 -12.525 -19.414 -2.877 29 HA ILE 4 HA ILE 4 -11.918 -19.422 -5.570 30 HB ILE 4 HB ILE 4 -14.262 -18.107 -4.126 31 HG12 ILE 4 HG11 ILE 4 -13.976 -20.921 -5.352 32 HG13 ILE 4 HG12 ILE 4 -13.882 -20.581 -3.603 33 HG21 ILE 4 HG21 ILE 4 -13.917 -19.004 -7.076 34 HG22 ILE 4 HG22 ILE 4 -15.448 -18.412 -6.341 35 HG23 ILE 4 HG23 ILE 4 -14.064 -17.296 -6.510 36 HD11 ILE 4 HD1 ILE 4 -16.235 -19.636 -3.660 37 HD12 ILE 4 HD2 ILE 4 -16.360 -20.139 -5.388 38 HD13 ILE 4 HD3 ILE 4 -16.130 -21.375 -4.106 39 H LEU 5 HN LEU 5 -12.255 -16.587 -3.379 40 HA LEU 5 HA LEU 5 -11.917 -14.632 -5.325 41 HB2 LEU 5 HB1 LEU 5 -11.168 -14.561 -2.334 42 HB3 LEU 5 HB2 LEU 5 -11.263 -13.138 -3.412 43 HG LEU 5 HG LEU 5 -13.186 -13.110 -2.098 44 HD11 LEU 5 HD11 LEU 5 -14.119 -14.218 -4.818 45 HD12 LEU 5 HD12 LEU 5 -13.546 -12.533 -4.507 46 HD13 LEU 5 HD13 LEU 5 -15.037 -13.146 -3.705 47 HD21 LEU 5 HD21 LEU 5 -14.042 -15.950 -2.907 48 HD22 LEU 5 HD22 LEU 5 -14.847 -14.823 -1.771 49 HD23 LEU 5 HD23 LEU 5 -13.243 -15.509 -1.337 50 H ALA 6 HN ALA 6 -9.405 -16.271 -3.339 51 HA ALA 6 HA ALA 6 -7.233 -14.782 -4.362 52 HB1 ALA 6 HB1 ALA 6 -7.138 -16.130 -2.244 53 HB2 ALA 6 HB2 ALA 6 -7.343 -17.639 -3.208 54 HB3 ALA 6 HB3 ALA 6 -5.854 -16.640 -3.395 55 H SER 7 HN SER 7 -8.686 -17.893 -5.380 56 HA SER 7 HA SER 7 -6.929 -18.458 -7.483 57 HB2 SER 7 HB1 SER 7 -9.912 -19.198 -7.258 58 HB3 SER 7 HB2 SER 7 -8.696 -19.985 -8.329 59 HG SER 7 HG1 SER 7 -8.873 -20.038 -5.497 60 H LEU 8 HN LEU 8 -10.065 -16.681 -7.554 61 HA LEU 8 HA LEU 8 -10.085 -16.127 -10.297 62 HB2 LEU 8 HB1 LEU 8 -11.984 -16.053 -8.660 63 HB3 LEU 8 HB2 LEU 8 -11.327 -14.558 -7.952 64 HG LEU 8 HG LEU 8 -12.049 -14.767 -10.936 65 HD11 LEU 8 HD11 LEU 8 -14.021 -15.570 -9.642 66 HD12 LEU 8 HD12 LEU 8 -14.341 -13.956 -10.376 67 HD13 LEU 8 HD13 LEU 8 -13.966 -14.086 -8.618 68 HD21 LEU 8 HD21 LEU 8 -12.013 -12.390 -8.955 69 HD22 LEU 8 HD22 LEU 8 -12.579 -12.309 -10.662 70 HD23 LEU 8 HD23 LEU 8 -10.853 -12.659 -10.313 71 H ALA 9 HN ALA 9 -8.809 -14.195 -7.534 72 HA ALA 9 HA ALA 9 -7.909 -12.023 -9.019 73 HB1 ALA 9 HB1 ALA 9 -6.535 -11.555 -6.974 74 HB2 ALA 9 HB2 ALA 9 -8.203 -12.070 -6.538 75 HB3 ALA 9 HB3 ALA 9 -6.851 -13.244 -6.402 76 H ALA 10 HN ALA 10 -6.147 -15.063 -8.159 77 HA ALA 10 HA ALA 10 -3.762 -14.430 -9.480 78 HB1 ALA 10 HB1 ALA 10 -3.359 -16.903 -9.381 79 HB2 ALA 10 HB2 ALA 10 -4.039 -16.294 -7.828 80 HB3 ALA 10 HB3 ALA 10 -5.103 -17.159 -8.988 81 H LYS 11 HN LYS 11 -6.725 -16.022 -10.754 82 HA LYS 11 HA LYS 11 -5.756 -16.484 -13.329 83 HB2 LYS 11 HB1 LYS 11 -7.947 -17.236 -11.997 84 HB3 LYS 11 HB2 LYS 11 -8.701 -15.857 -12.819 85 HG2 LYS 11 HG1 LYS 11 -7.417 -18.403 -14.049 86 HG3 LYS 11 HG2 LYS 11 -9.142 -17.977 -13.945 87 HD2 LYS 11 HD1 LYS 11 -8.895 -17.361 -16.115 88 HD3 LYS 11 HD2 LYS 11 -8.349 -15.831 -15.377 89 HE2 LYS 11 HE1 LYS 11 -5.934 -17.260 -15.501 90 HE3 LYS 11 HE2 LYS 11 -6.808 -18.003 -16.898 91 HZ1 LYS 11 HZ1 LYS 11 -6.284 -15.139 -16.370 92 HZ2 LYS 11 HZ2 LYS 11 -7.199 -15.691 -17.693 93 HZ3 LYS 11 HZ3 LYS 11 -5.542 -16.073 -17.573 94 H PHE 12 HN PHE 12 -7.436 -13.599 -12.006 95 HA PHE 12 HA PHE 12 -7.385 -12.027 -14.348 96 HB2 PHE 12 HB1 PHE 12 -8.793 -11.469 -12.357 97 HB3 PHE 12 HB2 PHE 12 -7.318 -11.247 -11.362 98 HD1 PHE 12 HD1 PHE 12 -6.588 -9.070 -11.059 99 HD2 PHE 12 HD2 PHE 12 -8.831 -9.975 -14.605 100 HE1 PHE 12 HE1 PHE 12 -6.579 -6.668 -11.676 101 HE2 PHE 12 HE2 PHE 12 -8.804 -7.583 -15.237 102 HZ PHE 12 HZ PHE 12 -7.687 -5.923 -13.771 103 H GLY 13 HN GLY 13 -4.994 -12.414 -11.712 104 HA2 GLY 13 HA1 GLY 13 -2.852 -12.887 -12.838 105 HA3 GLY 13 HA2 GLY 13 -2.920 -11.167 -13.395 106 HA PRO 14 HA PRO 14 -1.326 -12.020 -9.005 107 HB2 PRO 14 HB1 PRO 14 1.471 -11.921 -9.272 108 HB3 PRO 14 HB2 PRO 14 0.500 -13.394 -9.637 109 HG2 PRO 14 HG1 PRO 14 1.399 -11.237 -11.632 110 HG3 PRO 14 HG2 PRO 14 1.669 -13.025 -11.737 111 HD2 PRO 14 HD1 PRO 14 -0.449 -11.867 -13.023 112 HD3 PRO 14 HD2 PRO 14 -0.688 -13.440 -12.131 113 H LYS 15 HN LYS 15 -1.304 -9.486 -11.006 114 HA LYS 15 HA LYS 15 0.042 -7.322 -10.397 115 HB2 LYS 15 HB1 LYS 15 -3.014 -7.677 -10.451 116 HB3 LYS 15 HB2 LYS 15 -2.207 -6.099 -10.715 117 HG2 LYS 15 HG1 LYS 15 -1.536 -6.665 -12.879 118 HG3 LYS 15 HG2 LYS 15 -1.463 -8.423 -12.562 119 HD2 LYS 15 HD1 LYS 15 -3.903 -8.604 -12.451 120 HD3 LYS 15 HD2 LYS 15 -4.093 -6.830 -12.635 121 HE2 LYS 15 HE1 LYS 15 -3.275 -6.888 -14.952 122 HE3 LYS 15 HE2 LYS 15 -2.808 -8.630 -14.802 123 HZ1 LYS 15 HZ1 LYS 15 -4.998 -8.123 -15.922 124 HZ2 LYS 15 HZ2 LYS 15 -5.621 -7.745 -14.386 125 HZ3 LYS 15 HZ3 LYS 15 -5.008 -9.278 -14.700 126 H LEU 16 HN LEU 16 -2.916 -7.989 -8.420 127 HA LEU 16 HA LEU 16 -2.399 -5.974 -6.570 128 HB2 LEU 16 HB1 LEU 16 -4.309 -6.782 -5.375 129 HB3 LEU 16 HB2 LEU 16 -4.653 -6.863 -7.120 130 HG LEU 16 HG LEU 16 -3.937 -9.242 -5.294 131 HD11 LEU 16 HD11 LEU 16 -6.307 -9.861 -5.493 132 HD12 LEU 16 HD12 LEU 16 -6.631 -8.420 -6.530 133 HD13 LEU 16 HD13 LEU 16 -6.146 -8.207 -4.806 134 HD21 LEU 16 HD21 LEU 16 -3.240 -9.792 -7.650 135 HD22 LEU 16 HD22 LEU 16 -4.880 -9.301 -8.242 136 HD23 LEU 16 HD23 LEU 16 -4.675 -10.718 -7.153 137 H PHE 17 HN PHE 17 -1.737 -9.500 -6.299 138 HA PHE 17 HA PHE 17 -0.799 -9.430 -3.655 139 HB2 PHE 17 HB1 PHE 17 0.018 -11.340 -5.942 140 HB3 PHE 17 HB2 PHE 17 0.206 -11.661 -4.177 141 HD1 PHE 17 HD1 PHE 17 -1.630 -12.699 -6.810 142 HD2 PHE 17 HD2 PHE 17 -2.273 -10.996 -2.912 143 HE1 PHE 17 HE1 PHE 17 -3.877 -13.739 -6.720 144 HE2 PHE 17 HE2 PHE 17 -4.513 -12.024 -2.835 145 HZ PHE 17 HZ PHE 17 -5.315 -13.406 -4.730 146 H SER 18 HN SER 18 0.856 -9.073 -6.753 147 HA SER 18 HA SER 18 3.493 -8.877 -5.845 148 HB2 SER 18 HB1 SER 18 2.254 -7.481 -8.301 149 HB3 SER 18 HB2 SER 18 4.005 -7.809 -8.026 150 HG SER 18 HG1 SER 18 1.910 -9.695 -8.390 151 H LEU 19 HN LEU 19 0.992 -6.313 -6.230 152 HA LEU 19 HA LEU 19 2.690 -4.184 -5.420 153 HB2 LEU 19 HB1 LEU 19 -0.342 -4.570 -5.343 154 HB3 LEU 19 HB2 LEU 19 0.456 -3.038 -4.880 155 HG LEU 19 HG LEU 19 0.782 -4.331 -7.647 156 HD11 LEU 19 HD11 LEU 19 -1.140 -2.096 -6.746 157 HD12 LEU 19 HD12 LEU 19 -1.610 -3.770 -7.228 158 HD13 LEU 19 HD13 LEU 19 -0.879 -2.652 -8.441 159 HD21 LEU 19 HD21 LEU 19 1.384 -1.493 -6.587 160 HD22 LEU 19 HD22 LEU 19 1.511 -2.016 -8.305 161 HD23 LEU 19 HD23 LEU 19 2.613 -2.727 -7.071 162 H VAL 20 HN VAL 20 0.343 -6.181 -3.462 163 HA VAL 20 HA VAL 20 1.085 -4.638 -1.167 164 HB VAL 20 HB VAL 20 -1.208 -5.317 -1.671 165 HG11 VAL 20 HG11 VAL 20 -0.431 -8.103 -0.595 166 HG12 VAL 20 HG12 VAL 20 -2.052 -7.527 -1.103 167 HG13 VAL 20 HG13 VAL 20 -0.754 -7.726 -2.336 168 HG21 VAL 20 HG21 VAL 20 -0.111 -6.174 1.095 169 HG22 VAL 20 HG22 VAL 20 -0.458 -4.484 0.577 170 HG23 VAL 20 HG23 VAL 20 -1.797 -5.678 0.716 171 H THR 21 HN THR 21 1.799 -8.122 -1.991 172 HA THR 21 HA THR 21 2.992 -8.252 0.705 173 HB THR 21 HB THR 21 1.186 -9.717 0.520 174 HG1 THR 21 HG1 THR 21 2.278 -11.481 1.293 175 HG21 THR 21 HG21 THR 21 2.797 -11.199 -1.669 176 HG22 THR 21 HG22 THR 21 1.221 -10.346 -1.883 177 HG23 THR 21 HG23 THR 21 1.318 -11.809 -0.845 178 H LYS 22 HN LYS 22 4.733 -6.986 -0.122 179 HA LYS 22 HA LYS 22 6.623 -8.362 -1.851 180 HB2 LYS 22 HB1 LYS 22 6.857 -5.704 -0.331 181 HB3 LYS 22 HB2 LYS 22 7.993 -6.316 -1.574 182 HG2 LYS 22 HG1 LYS 22 6.030 -6.369 -3.215 183 HG3 LYS 22 HG2 LYS 22 5.055 -5.492 -1.992 184 HD2 LYS 22 HD1 LYS 22 6.791 -3.672 -1.911 185 HD3 LYS 22 HD2 LYS 22 7.745 -4.512 -3.163 186 HE2 LYS 22 HE1 LYS 22 4.920 -3.272 -3.491 187 HE3 LYS 22 HE2 LYS 22 6.471 -2.658 -4.184 188 HZ1 LYS 22 HZ1 LYS 22 6.635 -4.851 -5.344 189 HZ2 LYS 22 HZ2 LYS 22 5.335 -3.875 -5.855 190 HZ3 LYS 22 HZ3 LYS 22 5.066 -5.194 -4.848 191 H LYS 23 HN LYS 23 5.920 -8.757 1.350 192 HA LYS 23 HA LYS 23 8.713 -9.466 2.033 193 HB2 LYS 23 HB1 LYS 23 7.311 -7.852 3.562 194 HB3 LYS 23 HB2 LYS 23 6.394 -9.310 4.014 195 HG2 LYS 23 HG1 LYS 23 9.056 -10.181 4.346 196 HG3 LYS 23 HG2 LYS 23 9.248 -8.438 4.605 197 HD2 LYS 23 HD1 LYS 23 8.948 -9.498 6.765 198 HD3 LYS 23 HD2 LYS 23 7.518 -8.489 6.429 199 HE2 LYS 23 HE1 LYS 23 6.974 -10.719 7.515 200 HE3 LYS 23 HE2 LYS 23 6.137 -10.486 5.932 201 HZ1 LYS 23 HZ1 LYS 23 7.700 -11.860 4.873 202 HZ2 LYS 23 HZ2 LYS 23 7.167 -12.702 6.233 203 HZ3 LYS 23 HZ3 LYS 23 8.704 -11.972 6.230 204 H SER 24 HN SER 24 6.687 -10.895 0.280 205 HA SER 24 HA SER 24 6.045 -13.318 1.736 206 HB2 SER 24 HB1 SER 24 4.549 -12.414 -0.066 207 HB3 SER 24 HB2 SER 24 5.845 -12.710 -1.270 208 HG SER 24 HG1 SER 24 4.298 -14.441 -1.116 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 -15.511 -24.750 -1.801 2 HA PHE 1 HA PHE 1 -13.998 -25.235 -0.030 3 HB2 PHE 1 HB1 PHE 1 -13.487 -27.183 -2.394 4 HB3 PHE 1 HB2 PHE 1 -13.243 -27.561 -0.642 5 HD1 PHE 1 HD1 PHE 1 -15.258 -27.435 0.906 6 HD2 PHE 1 HD2 PHE 1 -15.645 -27.308 -3.370 7 HE1 PHE 1 HE1 PHE 1 -17.669 -27.954 1.110 8 HE2 PHE 1 HE2 PHE 1 -18.063 -27.824 -3.167 9 HZ PHE 1 HZ PHE 1 -19.077 -28.138 -0.923 10 H LEU 2 HN LEU 2 -12.108 -25.710 -3.046 11 HA LEU 2 HA LEU 2 -9.709 -24.652 -1.881 12 HB2 LEU 2 HB1 LEU 2 -10.498 -25.225 -4.799 13 HB3 LEU 2 HB2 LEU 2 -8.912 -24.553 -4.308 14 HG LEU 2 HG LEU 2 -8.587 -26.619 -2.827 15 HD11 LEU 2 HD11 LEU 2 -10.875 -27.729 -4.590 16 HD12 LEU 2 HD12 LEU 2 -10.861 -27.614 -2.788 17 HD13 LEU 2 HD13 LEU 2 -9.736 -28.729 -3.608 18 HD21 LEU 2 HD21 LEU 2 -7.700 -27.931 -4.740 19 HD22 LEU 2 HD22 LEU 2 -7.383 -26.174 -4.966 20 HD23 LEU 2 HD23 LEU 2 -8.714 -26.969 -5.889 21 HA PRO 3 HA PRO 3 -11.206 -20.792 -1.886 22 HB2 PRO 3 HB1 PRO 3 -9.037 -19.032 -1.723 23 HB3 PRO 3 HB2 PRO 3 -9.439 -20.280 -0.484 24 HG2 PRO 3 HG1 PRO 3 -7.455 -20.565 -2.810 25 HG3 PRO 3 HG2 PRO 3 -7.162 -20.890 -1.047 26 HD2 PRO 3 HD1 PRO 3 -7.815 -22.951 -2.726 27 HD3 PRO 3 HD2 PRO 3 -8.633 -22.828 -1.099 28 H ILE 4 HN ILE 4 -12.480 -20.267 -3.550 29 HA ILE 4 HA ILE 4 -11.818 -19.850 -6.138 30 HB ILE 4 HB ILE 4 -14.203 -18.634 -4.677 31 HG12 ILE 4 HG11 ILE 4 -14.109 -21.010 -4.103 32 HG13 ILE 4 HG12 ILE 4 -15.424 -20.690 -5.255 33 HG21 ILE 4 HG21 ILE 4 -14.015 -17.729 -6.981 34 HG22 ILE 4 HG22 ILE 4 -13.760 -19.386 -7.647 35 HG23 ILE 4 HG23 ILE 4 -15.342 -18.934 -6.919 36 HD11 ILE 4 HD1 ILE 4 -14.276 -22.800 -5.823 37 HD12 ILE 4 HD2 ILE 4 -14.001 -21.610 -7.144 38 HD13 ILE 4 HD3 ILE 4 -12.692 -21.974 -5.946 39 H LEU 5 HN LEU 5 -12.254 -17.217 -3.708 40 HA LEU 5 HA LEU 5 -11.901 -15.106 -5.493 41 HB2 LEU 5 HB1 LEU 5 -11.222 -15.266 -2.489 42 HB3 LEU 5 HB2 LEU 5 -11.296 -13.763 -3.453 43 HG LEU 5 HG LEU 5 -13.249 -13.846 -2.184 44 HD11 LEU 5 HD11 LEU 5 -15.062 -13.753 -3.832 45 HD12 LEU 5 HD12 LEU 5 -14.114 -14.728 -5.008 46 HD13 LEU 5 HD13 LEU 5 -13.555 -13.072 -4.545 47 HD21 LEU 5 HD21 LEU 5 -14.912 -15.583 -2.041 48 HD22 LEU 5 HD22 LEU 5 -13.316 -16.297 -1.623 49 HD23 LEU 5 HD23 LEU 5 -14.072 -16.612 -3.243 50 H ALA 6 HN ALA 6 -9.426 -16.849 -3.543 51 HA ALA 6 HA ALA 6 -7.233 -15.315 -4.453 52 HB1 ALA 6 HB1 ALA 6 -7.371 -18.214 -3.410 53 HB2 ALA 6 HB2 ALA 6 -5.876 -17.211 -3.532 54 HB3 ALA 6 HB3 ALA 6 -7.181 -16.740 -2.392 55 H SER 7 HN SER 7 -8.666 -18.369 -5.645 56 HA SER 7 HA SER 7 -6.859 -18.832 -7.736 57 HB2 SER 7 HB1 SER 7 -8.517 -20.484 -6.823 58 HB3 SER 7 HB2 SER 7 -9.842 -19.573 -7.606 59 HG SER 7 HG1 SER 7 -8.925 -21.469 -8.713 60 H LEU 8 HN LEU 8 -9.929 -16.921 -7.801 61 HA LEU 8 HA LEU 8 -9.764 -16.232 -10.538 62 HB2 LEU 8 HB1 LEU 8 -11.767 -16.189 -8.996 63 HB3 LEU 8 HB2 LEU 8 -11.117 -14.731 -8.213 64 HG LEU 8 HG LEU 8 -11.704 -14.890 -11.237 65 HD11 LEU 8 HD11 LEU 8 -13.640 -14.059 -8.986 66 HD12 LEU 8 HD12 LEU 8 -13.763 -15.549 -9.996 67 HD13 LEU 8 HD13 LEU 8 -13.950 -13.927 -10.755 68 HD21 LEU 8 HD21 LEU 8 -11.562 -12.500 -9.279 69 HD22 LEU 8 HD22 LEU 8 -12.085 -12.403 -10.998 70 HD23 LEU 8 HD23 LEU 8 -10.395 -12.859 -10.611 71 H ALA 9 HN ALA 9 -8.737 -14.449 -7.563 72 HA ALA 9 HA ALA 9 -7.755 -12.206 -8.848 73 HB1 ALA 9 HB1 ALA 9 -8.308 -12.314 -6.426 74 HB2 ALA 9 HB2 ALA 9 -6.960 -13.471 -6.163 75 HB3 ALA 9 HB3 ALA 9 -6.608 -11.767 -6.653 76 H ALA 10 HN ALA 10 -5.999 -15.236 -8.004 77 HA ALA 10 HA ALA 10 -3.464 -14.398 -8.725 78 HB1 ALA 10 HB1 ALA 10 -4.749 -17.189 -8.931 79 HB2 ALA 10 HB2 ALA 10 -2.972 -16.853 -8.918 80 HB3 ALA 10 HB3 ALA 10 -3.971 -16.491 -7.467 81 H LYS 11 HN LYS 11 -6.071 -15.555 -10.886 82 HA LYS 11 HA LYS 11 -4.225 -15.553 -13.162 83 HB2 LYS 11 HB1 LYS 11 -7.266 -15.937 -13.108 84 HB3 LYS 11 HB2 LYS 11 -6.168 -16.238 -14.498 85 HG2 LYS 11 HG1 LYS 11 -4.987 -18.018 -13.137 86 HG3 LYS 11 HG2 LYS 11 -6.135 -17.723 -11.803 87 HD2 LYS 11 HD1 LYS 11 -7.973 -18.186 -13.765 88 HD3 LYS 11 HD2 LYS 11 -6.591 -18.998 -14.542 89 HE2 LYS 11 HE1 LYS 11 -7.819 -20.716 -13.295 90 HE3 LYS 11 HE2 LYS 11 -6.298 -20.387 -12.366 91 HZ1 LYS 11 HZ1 LYS 11 -9.042 -19.358 -11.822 92 HZ2 LYS 11 HZ2 LYS 11 -7.672 -18.741 -11.074 93 HZ3 LYS 11 HZ3 LYS 11 -8.093 -20.324 -10.804 94 H PHE 12 HN PHE 12 -7.141 -13.657 -12.130 95 HA PHE 12 HA PHE 12 -6.999 -11.938 -14.370 96 HB2 PHE 12 HB1 PHE 12 -9.090 -12.474 -13.052 97 HB3 PHE 12 HB2 PHE 12 -8.419 -11.580 -11.647 98 HD1 PHE 12 HD1 PHE 12 -8.992 -9.311 -11.448 99 HD2 PHE 12 HD2 PHE 12 -9.183 -11.145 -15.331 100 HE1 PHE 12 HE1 PHE 12 -9.951 -7.227 -12.388 101 HE2 PHE 12 HE2 PHE 12 -10.137 -9.063 -16.266 102 HZ PHE 12 HZ PHE 12 -10.521 -7.103 -14.800 103 H GLY 13 HN GLY 13 -5.742 -11.614 -11.031 104 HA2 GLY 13 HA1 GLY 13 -4.592 -8.986 -11.737 105 HA3 GLY 13 HA2 GLY 13 -5.563 -9.308 -10.269 106 HA PRO 14 HA PRO 14 -1.799 -11.483 -8.820 107 HB2 PRO 14 HB1 PRO 14 0.357 -12.283 -10.424 108 HB3 PRO 14 HB2 PRO 14 -1.153 -13.257 -10.283 109 HG2 PRO 14 HG1 PRO 14 -0.488 -11.212 -12.477 110 HG3 PRO 14 HG2 PRO 14 -1.039 -12.931 -12.669 111 HD2 PRO 14 HD1 PRO 14 -2.863 -10.873 -12.770 112 HD3 PRO 14 HD2 PRO 14 -3.258 -12.417 -11.906 113 H LYS 15 HN LYS 15 -1.495 -9.004 -11.141 114 HA LYS 15 HA LYS 15 0.776 -7.660 -10.187 115 HB2 LYS 15 HB1 LYS 15 -0.288 -5.611 -11.167 116 HB3 LYS 15 HB2 LYS 15 -0.027 -6.958 -12.292 117 HG2 LYS 15 HG1 LYS 15 -2.805 -6.682 -11.030 118 HG3 LYS 15 HG2 LYS 15 -2.255 -5.487 -12.233 119 HD2 LYS 15 HD1 LYS 15 -1.663 -7.415 -13.818 120 HD3 LYS 15 HD2 LYS 15 -2.578 -8.499 -12.718 121 HE2 LYS 15 HE1 LYS 15 -4.624 -6.937 -13.060 122 HE3 LYS 15 HE2 LYS 15 -3.640 -6.027 -14.270 123 HZ1 LYS 15 HZ1 LYS 15 -4.909 -7.539 -15.478 124 HZ2 LYS 15 HZ2 LYS 15 -4.673 -8.803 -14.415 125 HZ3 LYS 15 HZ3 LYS 15 -3.400 -8.301 -15.416 126 H LEU 16 HN LEU 16 -2.591 -7.700 -8.817 127 HA LEU 16 HA LEU 16 -1.963 -5.593 -6.995 128 HB2 LEU 16 HB1 LEU 16 -4.072 -5.844 -6.019 129 HB3 LEU 16 HB2 LEU 16 -4.278 -6.119 -7.765 130 HG LEU 16 HG LEU 16 -4.017 -8.728 -6.953 131 HD11 LEU 16 HD11 LEU 16 -5.376 -7.308 -4.569 132 HD12 LEU 16 HD12 LEU 16 -3.782 -8.144 -4.501 133 HD13 LEU 16 HD13 LEU 16 -5.276 -9.085 -4.843 134 HD21 LEU 16 HD21 LEU 16 -5.878 -7.766 -8.303 135 HD22 LEU 16 HD22 LEU 16 -6.602 -7.056 -6.808 136 HD23 LEU 16 HD23 LEU 16 -6.497 -8.845 -6.997 137 H PHE 17 HN PHE 17 -1.891 -9.174 -6.735 138 HA PHE 17 HA PHE 17 -1.030 -9.250 -4.061 139 HB2 PHE 17 HB1 PHE 17 -0.545 -11.208 -6.396 140 HB3 PHE 17 HB2 PHE 17 -0.089 -11.563 -4.687 141 HD1 PHE 17 HD1 PHE 17 -2.212 -12.796 -6.779 142 HD2 PHE 17 HD2 PHE 17 -2.428 -10.506 -3.134 143 HE1 PHE 17 HE1 PHE 17 -4.382 -13.845 -6.226 144 HE2 PHE 17 HE2 PHE 17 -4.605 -11.513 -2.631 145 HZ PHE 17 HZ PHE 17 -5.590 -13.194 -4.161 146 H SER 18 HN SER 18 0.879 -9.038 -7.072 147 HA SER 18 HA SER 18 3.400 -9.049 -5.875 148 HB2 SER 18 HB1 SER 18 3.023 -9.203 -8.339 149 HB3 SER 18 HB2 SER 18 2.532 -7.479 -8.370 150 HG SER 18 HG1 SER 18 4.790 -8.060 -8.913 151 H LEU 19 HN LEU 19 1.164 -6.207 -6.301 152 HA LEU 19 HA LEU 19 3.034 -4.366 -5.210 153 HB2 LEU 19 HB1 LEU 19 -0.025 -4.351 -5.329 154 HB3 LEU 19 HB2 LEU 19 0.940 -2.964 -4.743 155 HG LEU 19 HG LEU 19 1.197 -4.152 -7.563 156 HD11 LEU 19 HD11 LEU 19 -1.083 -3.221 -7.187 157 HD12 LEU 19 HD12 LEU 19 -0.132 -2.177 -8.309 158 HD13 LEU 19 HD13 LEU 19 -0.366 -1.676 -6.593 159 HD21 LEU 19 HD21 LEU 19 3.245 -2.911 -6.835 160 HD22 LEU 19 HD22 LEU 19 2.222 -1.508 -6.336 161 HD23 LEU 19 HD23 LEU 19 2.334 -1.971 -8.073 162 H VAL 20 HN VAL 20 0.355 -6.204 -3.543 163 HA VAL 20 HA VAL 20 1.002 -4.870 -1.118 164 HB VAL 20 HB VAL 20 -0.658 -6.206 -0.006 165 HG11 VAL 20 HG11 VAL 20 -2.575 -5.356 -1.309 166 HG12 VAL 20 HG12 VAL 20 -1.230 -4.162 -1.338 167 HG13 VAL 20 HG13 VAL 20 -1.560 -5.189 -2.786 168 HG21 VAL 20 HG21 VAL 20 -2.074 -7.811 -1.340 169 HG22 VAL 20 HG22 VAL 20 -0.902 -7.704 -2.701 170 HG23 VAL 20 HG23 VAL 20 -0.405 -8.437 -1.119 171 H THR 21 HN THR 21 1.822 -8.266 -2.145 172 HA THR 21 HA THR 21 3.028 -8.512 0.551 173 HB THR 21 HB THR 21 1.245 -10.028 0.194 174 HG1 THR 21 HG1 THR 21 2.373 -11.805 0.896 175 HG21 THR 21 HG21 THR 21 3.055 -11.365 -1.933 176 HG22 THR 21 HG22 THR 21 1.468 -10.558 -2.231 177 HG23 THR 21 HG23 THR 21 1.547 -12.052 -1.239 178 H LYS 22 HN LYS 22 4.612 -6.979 -0.814 179 HA LYS 22 HA LYS 22 6.706 -8.555 -2.035 180 HB2 LYS 22 HB1 LYS 22 6.778 -5.663 -1.012 181 HB3 LYS 22 HB2 LYS 22 8.087 -6.503 -1.906 182 HG2 LYS 22 HG1 LYS 22 6.124 -7.054 -3.624 183 HG3 LYS 22 HG2 LYS 22 5.361 -5.596 -2.930 184 HD2 LYS 22 HD1 LYS 22 7.393 -4.243 -3.498 185 HD3 LYS 22 HD2 LYS 22 8.238 -5.707 -4.076 186 HE2 LYS 22 HE1 LYS 22 5.759 -4.377 -5.369 187 HE3 LYS 22 HE2 LYS 22 7.445 -4.430 -6.031 188 HZ1 LYS 22 HZ1 LYS 22 5.544 -6.645 -5.600 189 HZ2 LYS 22 HZ2 LYS 22 7.165 -6.938 -5.971 190 HZ3 LYS 22 HZ3 LYS 22 6.128 -6.152 -7.078 191 H LYS 23 HN LYS 23 5.844 -7.858 1.244 192 HA LYS 23 HA LYS 23 8.342 -8.492 2.430 193 HB2 LYS 23 HB1 LYS 23 6.085 -7.442 3.377 194 HB3 LYS 23 HB2 LYS 23 5.635 -9.124 3.723 195 HG2 LYS 23 HG1 LYS 23 8.013 -7.456 4.788 196 HG3 LYS 23 HG2 LYS 23 6.567 -7.955 5.701 197 HD2 LYS 23 HD1 LYS 23 8.868 -9.733 4.718 198 HD3 LYS 23 HD2 LYS 23 8.569 -9.219 6.390 199 HE2 LYS 23 HE1 LYS 23 7.065 -10.905 6.831 200 HE3 LYS 23 HE2 LYS 23 6.188 -10.637 5.279 201 HZ1 LYS 23 HZ1 LYS 23 7.069 -12.644 4.903 202 HZ2 LYS 23 HZ2 LYS 23 8.523 -12.383 5.778 203 HZ3 LYS 23 HZ3 LYS 23 8.252 -11.684 4.250 204 H SER 24 HN SER 24 5.586 -10.527 1.318 205 HA SER 24 HA SER 24 7.319 -12.911 1.615 206 HB2 SER 24 HB1 SER 24 4.304 -12.785 2.222 207 HB3 SER 24 HB2 SER 24 5.262 -14.300 2.065 208 HG SER 24 HG1 SER 24 4.982 -13.695 4.199 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 -13.873 -26.741 0.702 2 HA PHE 1 HA PHE 1 -13.310 -27.804 -1.881 3 HB2 PHE 1 HB1 PHE 1 -14.431 -25.755 -2.813 4 HB3 PHE 1 HB2 PHE 1 -15.439 -26.779 -1.749 5 HD1 PHE 1 HD1 PHE 1 -15.783 -26.088 0.704 6 HD2 PHE 1 HD2 PHE 1 -14.319 -23.438 -2.352 7 HE1 PHE 1 HE1 PHE 1 -16.409 -24.139 2.086 8 HE2 PHE 1 HE2 PHE 1 -14.948 -21.497 -0.967 9 HZ PHE 1 HZ PHE 1 -15.987 -21.842 1.260 10 H LEU 2 HN LEU 2 -12.658 -24.367 -1.806 11 HA LEU 2 HA LEU 2 -9.869 -24.658 -1.457 12 HB2 LEU 2 HB1 LEU 2 -9.062 -24.255 -3.700 13 HB3 LEU 2 HB2 LEU 2 -10.088 -25.706 -3.758 14 HG LEU 2 HG LEU 2 -11.027 -22.892 -4.610 15 HD11 LEU 2 HD11 LEU 2 -9.070 -23.654 -5.965 16 HD12 LEU 2 HD12 LEU 2 -10.593 -23.625 -6.938 17 HD13 LEU 2 HD13 LEU 2 -9.932 -25.191 -6.341 18 HD21 LEU 2 HD21 LEU 2 -12.959 -24.382 -4.166 19 HD22 LEU 2 HD22 LEU 2 -12.196 -25.705 -5.134 20 HD23 LEU 2 HD23 LEU 2 -12.748 -24.192 -5.940 21 HA PRO 3 HA PRO 3 -10.781 -20.288 -1.014 22 HB2 PRO 3 HB1 PRO 3 -8.360 -19.007 -1.316 23 HB3 PRO 3 HB2 PRO 3 -8.703 -20.114 0.066 24 HG2 PRO 3 HG1 PRO 3 -7.289 -20.832 -2.563 25 HG3 PRO 3 HG2 PRO 3 -6.686 -21.104 -0.875 26 HD2 PRO 3 HD1 PRO 3 -7.995 -23.078 -2.279 27 HD3 PRO 3 HD2 PRO 3 -8.320 -22.852 -0.499 28 H ILE 4 HN ILE 4 -12.168 -20.417 -2.933 29 HA ILE 4 HA ILE 4 -11.404 -20.212 -5.527 30 HB ILE 4 HB ILE 4 -13.962 -19.061 -4.316 31 HG12 ILE 4 HG11 ILE 4 -13.372 -21.893 -5.372 32 HG13 ILE 4 HG12 ILE 4 -13.494 -21.460 -3.638 33 HG21 ILE 4 HG21 ILE 4 -13.308 -20.048 -7.184 34 HG22 ILE 4 HG22 ILE 4 -14.933 -19.539 -6.604 35 HG23 ILE 4 HG23 ILE 4 -13.622 -18.336 -6.712 36 HD11 ILE 4 HD1 ILE 4 -15.788 -21.296 -5.691 37 HD12 ILE 4 HD2 ILE 4 -15.615 -22.447 -4.324 38 HD13 ILE 4 HD3 ILE 4 -15.880 -20.698 -3.993 39 H LEU 5 HN LEU 5 -12.131 -17.399 -3.404 40 HA LEU 5 HA LEU 5 -11.845 -15.427 -5.349 41 HB2 LEU 5 HB1 LEU 5 -11.271 -15.293 -2.323 42 HB3 LEU 5 HB2 LEU 5 -11.417 -13.884 -3.414 43 HG LEU 5 HG LEU 5 -13.406 -14.000 -2.207 44 HD11 LEU 5 HD11 LEU 5 -15.159 -14.185 -3.912 45 HD12 LEU 5 HD12 LEU 5 -14.100 -15.186 -4.965 46 HD13 LEU 5 HD13 LEU 5 -13.677 -13.461 -4.636 47 HD21 LEU 5 HD21 LEU 5 -13.319 -16.394 -1.432 48 HD22 LEU 5 HD22 LEU 5 -13.993 -16.901 -3.040 49 HD23 LEU 5 HD23 LEU 5 -14.946 -15.836 -1.959 50 H ALA 6 HN ALA 6 -9.313 -16.953 -3.298 51 HA ALA 6 HA ALA 6 -7.237 -15.202 -4.136 52 HB1 ALA 6 HB1 ALA 6 -5.734 -16.910 -3.107 53 HB2 ALA 6 HB2 ALA 6 -7.130 -16.565 -2.026 54 HB3 ALA 6 HB3 ALA 6 -7.110 -18.071 -3.018 55 H SER 7 HN SER 7 -8.274 -18.471 -5.260 56 HA SER 7 HA SER 7 -6.417 -18.745 -7.315 57 HB2 SER 7 HB1 SER 7 -9.316 -19.771 -7.226 58 HB3 SER 7 HB2 SER 7 -8.022 -20.370 -8.337 59 HG SER 7 HG1 SER 7 -8.236 -21.681 -6.481 60 H LEU 8 HN LEU 8 -9.689 -17.236 -7.426 61 HA LEU 8 HA LEU 8 -9.649 -16.637 -10.163 62 HB2 LEU 8 HB1 LEU 8 -11.642 -16.720 -8.649 63 HB3 LEU 8 HB2 LEU 8 -11.097 -15.236 -7.830 64 HG LEU 8 HG LEU 8 -13.001 -15.046 -9.485 65 HD11 LEU 8 HD11 LEU 8 -12.409 -12.882 -10.396 66 HD12 LEU 8 HD12 LEU 8 -10.652 -13.205 -10.224 67 HD13 LEU 8 HD13 LEU 8 -11.687 -13.040 -8.753 68 HD21 LEU 8 HD21 LEU 8 -12.598 -14.954 -11.902 69 HD22 LEU 8 HD22 LEU 8 -12.116 -16.572 -11.268 70 HD23 LEU 8 HD23 LEU 8 -10.856 -15.340 -11.676 71 H ALA 9 HN ALA 9 -8.660 -14.607 -7.331 72 HA ALA 9 HA ALA 9 -7.870 -12.381 -8.810 73 HB1 ALA 9 HB1 ALA 9 -6.867 -13.476 -6.116 74 HB2 ALA 9 HB2 ALA 9 -6.598 -11.789 -6.710 75 HB3 ALA 9 HB3 ALA 9 -8.265 -12.373 -6.352 76 H ALA 10 HN ALA 10 -5.933 -15.252 -7.816 77 HA ALA 10 HA ALA 10 -3.508 -14.411 -8.929 78 HB1 ALA 10 HB1 ALA 10 -4.631 -17.246 -8.497 79 HB2 ALA 10 HB2 ALA 10 -2.890 -16.838 -8.751 80 HB3 ALA 10 HB3 ALA 10 -3.749 -16.273 -7.271 81 H LYS 11 HN LYS 11 -6.182 -16.316 -10.442 82 HA LYS 11 HA LYS 11 -4.866 -16.551 -12.933 83 HB2 LYS 11 HB1 LYS 11 -6.751 -17.975 -12.165 84 HB3 LYS 11 HB2 LYS 11 -7.881 -16.608 -12.318 85 HG2 LYS 11 HG1 LYS 11 -6.172 -17.562 -14.692 86 HG3 LYS 11 HG2 LYS 11 -7.640 -18.464 -14.236 87 HD2 LYS 11 HD1 LYS 11 -9.127 -16.889 -14.950 88 HD3 LYS 11 HD2 LYS 11 -8.109 -15.504 -14.524 89 HE2 LYS 11 HE1 LYS 11 -7.744 -17.273 -17.043 90 HE3 LYS 11 HE2 LYS 11 -8.451 -15.610 -16.966 91 HZ1 LYS 11 HZ1 LYS 11 -5.653 -16.468 -16.648 92 HZ2 LYS 11 HZ2 LYS 11 -6.163 -15.113 -15.811 93 HZ3 LYS 11 HZ3 LYS 11 -6.296 -15.146 -17.500 94 H PHE 12 HN PHE 12 -7.115 -14.041 -11.696 95 HA PHE 12 HA PHE 12 -7.343 -12.637 -14.129 96 HB2 PHE 12 HB1 PHE 12 -8.949 -12.583 -12.150 97 HB3 PHE 12 HB2 PHE 12 -7.724 -11.659 -11.222 98 HD1 PHE 12 HD1 PHE 12 -7.590 -9.299 -11.498 99 HD2 PHE 12 HD2 PHE 12 -9.844 -11.618 -14.326 100 HE1 PHE 12 HE1 PHE 12 -8.497 -7.213 -12.487 101 HE2 PHE 12 HE2 PHE 12 -10.744 -9.533 -15.318 102 HZ PHE 12 HZ PHE 12 -10.072 -7.332 -14.400 103 H GLY 13 HN GLY 13 -5.178 -12.042 -11.274 104 HA2 GLY 13 HA1 GLY 13 -3.288 -10.650 -12.933 105 HA3 GLY 13 HA2 GLY 13 -4.376 -9.568 -12.006 106 HA PRO 14 HA PRO 14 -2.011 -11.972 -8.706 107 HB2 PRO 14 HB1 PRO 14 0.460 -13.146 -9.283 108 HB3 PRO 14 HB2 PRO 14 -1.109 -13.956 -9.655 109 HG2 PRO 14 HG1 PRO 14 0.588 -12.269 -11.576 110 HG3 PRO 14 HG2 PRO 14 -0.065 -13.942 -11.834 111 HD2 PRO 14 HD1 PRO 14 -1.398 -11.722 -12.774 112 HD3 PRO 14 HD2 PRO 14 -2.323 -13.121 -12.077 113 H LYS 15 HN LYS 15 -0.876 -9.626 -10.733 114 HA LYS 15 HA LYS 15 1.340 -8.508 -9.429 115 HB2 LYS 15 HB1 LYS 15 -0.946 -7.147 -10.973 116 HB3 LYS 15 HB2 LYS 15 0.616 -6.376 -10.546 117 HG2 LYS 15 HG1 LYS 15 1.841 -8.066 -11.923 118 HG3 LYS 15 HG2 LYS 15 0.289 -8.829 -12.393 119 HD2 LYS 15 HD1 LYS 15 -0.457 -6.676 -13.442 120 HD3 LYS 15 HD2 LYS 15 1.099 -5.912 -12.972 121 HE2 LYS 15 HE1 LYS 15 2.355 -7.543 -14.435 122 HE3 LYS 15 HE2 LYS 15 0.793 -8.321 -14.906 123 HZ1 LYS 15 HZ1 LYS 15 1.558 -5.481 -15.416 124 HZ2 LYS 15 HZ2 LYS 15 0.094 -6.209 -15.858 125 HZ3 LYS 15 HZ3 LYS 15 1.544 -6.735 -16.551 126 H LEU 16 HN LEU 16 -2.175 -8.286 -8.643 127 HA LEU 16 HA LEU 16 -1.912 -6.193 -6.792 128 HB2 LEU 16 HB1 LEU 16 -4.145 -6.777 -6.014 129 HB3 LEU 16 HB2 LEU 16 -4.035 -6.812 -7.791 130 HG LEU 16 HG LEU 16 -3.604 -9.467 -7.329 131 HD11 LEU 16 HD11 LEU 16 -5.140 -10.284 -5.555 132 HD12 LEU 16 HD12 LEU 16 -5.522 -8.594 -5.065 133 HD13 LEU 16 HD13 LEU 16 -3.871 -9.261 -4.799 134 HD21 LEU 16 HD21 LEU 16 -5.314 -8.465 -8.835 135 HD22 LEU 16 HD22 LEU 16 -6.361 -8.092 -7.411 136 HD23 LEU 16 HD23 LEU 16 -6.001 -9.805 -7.853 137 H PHE 17 HN PHE 17 -1.583 -9.740 -6.284 138 HA PHE 17 HA PHE 17 -1.165 -9.570 -3.498 139 HB2 PHE 17 HB1 PHE 17 -0.210 -11.651 -5.573 140 HB3 PHE 17 HB2 PHE 17 -0.050 -11.859 -3.787 141 HD1 PHE 17 HD1 PHE 17 -2.007 -12.852 -6.438 142 HD2 PHE 17 HD2 PHE 17 -2.377 -11.208 -2.481 143 HE1 PHE 17 HE1 PHE 17 -4.265 -13.851 -6.224 144 HE2 PHE 17 HE2 PHE 17 -4.638 -12.181 -2.287 145 HZ PHE 17 HZ PHE 17 -5.583 -13.509 -4.154 146 H SER 18 HN SER 18 1.122 -9.476 -6.228 147 HA SER 18 HA SER 18 3.487 -9.355 -4.703 148 HB2 SER 18 HB1 SER 18 3.382 -9.851 -7.175 149 HB3 SER 18 HB2 SER 18 2.904 -8.149 -7.472 150 HG SER 18 HG1 SER 18 5.379 -9.059 -6.363 151 H LEU 19 HN LEU 19 1.410 -6.658 -5.903 152 HA LEU 19 HA LEU 19 2.999 -4.605 -4.847 153 HB2 LEU 19 HB1 LEU 19 -0.002 -4.809 -5.416 154 HB3 LEU 19 HB2 LEU 19 0.768 -3.274 -4.899 155 HG LEU 19 HG LEU 19 1.620 -4.819 -7.408 156 HD11 LEU 19 HD11 LEU 19 -0.307 -2.424 -7.143 157 HD12 LEU 19 HD12 LEU 19 -0.757 -4.109 -7.607 158 HD13 LEU 19 HD13 LEU 19 0.303 -3.127 -8.687 159 HD21 LEU 19 HD21 LEU 19 3.379 -3.276 -6.543 160 HD22 LEU 19 HD22 LEU 19 2.176 -1.931 -6.461 161 HD23 LEU 19 HD23 LEU 19 2.654 -2.626 -8.054 162 H VAL 20 HN VAL 20 0.272 -6.388 -3.211 163 HA VAL 20 HA VAL 20 0.637 -4.719 -0.896 164 HB VAL 20 HB VAL 20 -1.546 -5.509 -1.501 165 HG11 VAL 20 HG11 VAL 20 -0.665 -8.293 -0.485 166 HG12 VAL 20 HG12 VAL 20 -2.301 -7.785 -1.022 167 HG13 VAL 20 HG13 VAL 20 -0.960 -7.858 -2.217 168 HG21 VAL 20 HG21 VAL 20 -0.581 -6.408 1.300 169 HG22 VAL 20 HG22 VAL 20 -0.974 -4.714 0.813 170 HG23 VAL 20 HG23 VAL 20 -2.258 -5.975 0.828 171 H THR 21 HN THR 21 1.567 -8.205 -1.516 172 HA THR 21 HA THR 21 2.988 -8.064 1.068 173 HB THR 21 HB THR 21 1.425 -9.711 1.326 174 HG1 THR 21 HG1 THR 21 3.556 -11.336 0.675 175 HG21 THR 21 HG21 THR 21 2.390 -10.957 -1.331 176 HG22 THR 21 HG22 THR 21 0.765 -10.284 -0.953 177 HG23 THR 21 HG23 THR 21 1.327 -11.772 -0.122 178 H LYS 22 HN LYS 22 4.911 -7.454 0.880 179 HA LYS 22 HA LYS 22 6.529 -8.202 -1.465 180 HB2 LYS 22 HB1 LYS 22 6.659 -5.893 0.540 181 HB3 LYS 22 HB2 LYS 22 7.805 -6.121 -0.819 182 HG2 LYS 22 HG1 LYS 22 6.129 -5.783 -2.488 183 HG3 LYS 22 HG2 LYS 22 4.771 -5.880 -1.351 184 HD2 LYS 22 HD1 LYS 22 6.953 -3.708 -1.206 185 HD3 LYS 22 HD2 LYS 22 5.463 -3.517 -2.165 186 HE2 LYS 22 HE1 LYS 22 5.477 -3.998 0.906 187 HE3 LYS 22 HE2 LYS 22 5.357 -2.393 0.091 188 HZ1 LYS 22 HZ1 LYS 22 3.178 -2.825 0.195 189 HZ2 LYS 22 HZ2 LYS 22 3.332 -4.518 0.271 190 HZ3 LYS 22 HZ3 LYS 22 3.457 -3.719 -1.185 191 H LYS 23 HN LYS 23 6.108 -9.450 1.539 192 HA LYS 23 HA LYS 23 9.009 -9.919 1.977 193 HB2 LYS 23 HB1 LYS 23 6.637 -10.603 3.811 194 HB3 LYS 23 HB2 LYS 23 8.369 -10.953 4.121 195 HG2 LYS 23 HG1 LYS 23 8.748 -8.379 3.899 196 HG3 LYS 23 HG2 LYS 23 6.984 -8.223 4.147 197 HD2 LYS 23 HD1 LYS 23 9.050 -9.592 5.995 198 HD3 LYS 23 HD2 LYS 23 8.302 -7.986 6.264 199 HE2 LYS 23 HE1 LYS 23 6.048 -9.071 6.578 200 HE3 LYS 23 HE2 LYS 23 6.784 -10.697 6.286 201 HZ1 LYS 23 HZ1 LYS 23 7.519 -8.827 8.491 202 HZ2 LYS 23 HZ2 LYS 23 8.203 -10.347 8.204 203 HZ3 LYS 23 HZ3 LYS 23 6.571 -10.223 8.632 204 H SER 24 HN SER 24 6.795 -11.041 -0.003 205 HA SER 24 HA SER 24 6.320 -13.695 0.726 206 HB2 SER 24 HB1 SER 24 6.220 -12.437 -2.078 207 HB3 SER 24 HB2 SER 24 5.343 -13.913 -1.532 208 HG SER 24 HG1 SER 24 4.551 -11.398 -1.376 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 -14.778 -27.485 0.024 2 HA PHE 1 HA PHE 1 -13.525 -27.362 -2.351 3 HB2 PHE 1 HB1 PHE 1 -14.906 -25.036 -0.860 4 HB3 PHE 1 HB2 PHE 1 -14.575 -25.049 -2.639 5 HD1 PHE 1 HD1 PHE 1 -15.415 -27.103 -3.978 6 HD2 PHE 1 HD2 PHE 1 -16.978 -25.919 -0.151 7 HE1 PHE 1 HE1 PHE 1 -17.509 -28.337 -4.450 8 HE2 PHE 1 HE2 PHE 1 -19.071 -27.147 -0.630 9 HZ PHE 1 HZ PHE 1 -19.341 -28.355 -2.777 10 H LEU 2 HN LEU 2 -12.846 -24.371 -2.436 11 HA LEU 2 HA LEU 2 -10.239 -24.316 -1.203 12 HB2 LEU 2 HB1 LEU 2 -10.677 -24.179 -4.276 13 HB3 LEU 2 HB2 LEU 2 -9.170 -23.720 -3.436 14 HG LEU 2 HG LEU 2 -9.370 -26.269 -2.515 15 HD11 LEU 2 HD11 LEU 2 -10.554 -26.368 -5.372 16 HD12 LEU 2 HD12 LEU 2 -11.441 -26.820 -3.870 17 HD13 LEU 2 HD13 LEU 2 -10.015 -27.785 -4.404 18 HD21 LEU 2 HD21 LEU 2 -8.177 -25.408 -5.225 19 HD22 LEU 2 HD22 LEU 2 -7.708 -26.867 -4.278 20 HD23 LEU 2 HD23 LEU 2 -7.395 -25.224 -3.610 21 HA PRO 3 HA PRO 3 -11.861 -20.242 -1.247 22 HB2 PRO 3 HB1 PRO 3 -9.703 -18.527 -0.969 23 HB3 PRO 3 HB2 PRO 3 -10.171 -19.731 0.291 24 HG2 PRO 3 HG1 PRO 3 -8.043 -20.066 -1.895 25 HG3 PRO 3 HG2 PRO 3 -7.854 -20.336 -0.111 26 HD2 PRO 3 HD1 PRO 3 -8.386 -22.418 -1.833 27 HD3 PRO 3 HD2 PRO 3 -9.207 -22.342 -0.206 28 H ILE 4 HN ILE 4 -12.912 -19.951 -3.160 29 HA ILE 4 HA ILE 4 -11.832 -19.817 -5.643 30 HB ILE 4 HB ILE 4 -14.449 -18.523 -4.766 31 HG12 ILE 4 HG11 ILE 4 -14.435 -20.784 -3.849 32 HG13 ILE 4 HG12 ILE 4 -15.517 -20.694 -5.259 33 HG21 ILE 4 HG21 ILE 4 -13.496 -19.662 -7.483 34 HG22 ILE 4 HG22 ILE 4 -15.187 -19.173 -7.103 35 HG23 ILE 4 HG23 ILE 4 -13.882 -17.941 -7.112 36 HD11 ILE 4 HD1 ILE 4 -13.743 -21.800 -6.697 37 HD12 ILE 4 HD2 ILE 4 -12.681 -21.940 -5.242 38 HD13 ILE 4 HD3 ILE 4 -14.249 -22.812 -5.300 39 H LEU 5 HN LEU 5 -12.594 -16.975 -3.595 40 HA LEU 5 HA LEU 5 -12.125 -15.024 -5.519 41 HB2 LEU 5 HB1 LEU 5 -11.711 -14.900 -2.466 42 HB3 LEU 5 HB2 LEU 5 -11.748 -13.490 -3.564 43 HG LEU 5 HG LEU 5 -13.801 -13.533 -2.466 44 HD11 LEU 5 HD11 LEU 5 -13.921 -12.990 -4.906 45 HD12 LEU 5 HD12 LEU 5 -15.465 -13.659 -4.264 46 HD13 LEU 5 HD13 LEU 5 -14.387 -14.700 -5.258 47 HD21 LEU 5 HD21 LEU 5 -13.839 -15.924 -1.686 48 HD22 LEU 5 HD22 LEU 5 -14.445 -16.413 -3.326 49 HD23 LEU 5 HD23 LEU 5 -15.416 -15.312 -2.298 50 H ALA 6 HN ALA 6 -9.768 -16.624 -3.325 51 HA ALA 6 HA ALA 6 -7.584 -14.957 -4.028 52 HB1 ALA 6 HB1 ALA 6 -7.677 -17.841 -2.939 53 HB2 ALA 6 HB2 ALA 6 -6.224 -16.771 -2.944 54 HB3 ALA 6 HB3 ALA 6 -7.654 -16.343 -1.939 55 H SER 7 HN SER 7 -8.649 -18.186 -5.242 56 HA SER 7 HA SER 7 -6.687 -18.484 -7.194 57 HB2 SER 7 HB1 SER 7 -9.594 -19.483 -7.243 58 HB3 SER 7 HB2 SER 7 -8.254 -20.097 -8.289 59 HG SER 7 HG1 SER 7 -8.562 -21.397 -6.434 60 H LEU 8 HN LEU 8 -9.930 -16.937 -7.476 61 HA LEU 8 HA LEU 8 -9.763 -16.378 -10.213 62 HB2 LEU 8 HB1 LEU 8 -11.819 -16.412 -8.787 63 HB3 LEU 8 HB2 LEU 8 -11.291 -14.922 -7.966 64 HG LEU 8 HG LEU 8 -13.121 -14.733 -9.703 65 HD11 LEU 8 HD11 LEU 8 -10.719 -12.934 -10.373 66 HD12 LEU 8 HD12 LEU 8 -11.812 -12.732 -8.949 67 HD13 LEU 8 HD13 LEU 8 -12.462 -12.593 -10.623 68 HD21 LEU 8 HD21 LEU 8 -12.616 -14.686 -12.102 69 HD22 LEU 8 HD22 LEU 8 -12.184 -16.299 -11.423 70 HD23 LEU 8 HD23 LEU 8 -10.891 -15.091 -11.798 71 H ALA 9 HN ALA 9 -8.874 -14.314 -7.375 72 HA ALA 9 HA ALA 9 -7.990 -12.122 -8.857 73 HB1 ALA 9 HB1 ALA 9 -6.803 -11.511 -6.710 74 HB2 ALA 9 HB2 ALA 9 -8.496 -12.059 -6.421 75 HB3 ALA 9 HB3 ALA 9 -7.132 -13.182 -6.100 76 H ALA 10 HN ALA 10 -6.153 -15.013 -7.739 77 HA ALA 10 HA ALA 10 -3.666 -14.224 -8.749 78 HB1 ALA 10 HB1 ALA 10 -3.097 -16.656 -8.518 79 HB2 ALA 10 HB2 ALA 10 -4.016 -16.063 -7.085 80 HB3 ALA 10 HB3 ALA 10 -4.854 -17.036 -8.342 81 H LYS 11 HN LYS 11 -6.290 -16.116 -10.375 82 HA LYS 11 HA LYS 11 -4.826 -16.420 -12.771 83 HB2 LYS 11 HB1 LYS 11 -7.110 -17.511 -11.800 84 HB3 LYS 11 HB2 LYS 11 -7.865 -16.303 -12.853 85 HG2 LYS 11 HG1 LYS 11 -5.993 -18.654 -13.525 86 HG3 LYS 11 HG2 LYS 11 -7.692 -18.456 -14.026 87 HD2 LYS 11 HD1 LYS 11 -5.258 -16.856 -15.013 88 HD3 LYS 11 HD2 LYS 11 -6.037 -18.187 -15.900 89 HE2 LYS 11 HE1 LYS 11 -7.860 -16.906 -16.631 90 HE3 LYS 11 HE2 LYS 11 -7.841 -15.840 -15.170 91 HZ1 LYS 11 HZ1 LYS 11 -7.059 -14.667 -17.129 92 HZ2 LYS 11 HZ2 LYS 11 -5.781 -15.777 -17.322 93 HZ3 LYS 11 HZ3 LYS 11 -5.873 -14.820 -15.928 94 H PHE 12 HN PHE 12 -7.162 -13.897 -11.730 95 HA PHE 12 HA PHE 12 -7.258 -12.522 -14.187 96 HB2 PHE 12 HB1 PHE 12 -8.979 -12.448 -12.313 97 HB3 PHE 12 HB2 PHE 12 -7.814 -11.519 -11.318 98 HD1 PHE 12 HD1 PHE 12 -7.711 -9.161 -11.568 99 HD2 PHE 12 HD2 PHE 12 -9.703 -11.496 -14.574 100 HE1 PHE 12 HE1 PHE 12 -8.562 -7.082 -12.621 101 HE2 PHE 12 HE2 PHE 12 -10.545 -9.418 -15.630 102 HZ PHE 12 HZ PHE 12 -9.975 -7.214 -14.655 103 H GLY 13 HN GLY 13 -5.244 -11.884 -11.227 104 HA2 GLY 13 HA1 GLY 13 -3.309 -10.474 -12.822 105 HA3 GLY 13 HA2 GLY 13 -4.445 -9.407 -11.934 106 HA PRO 14 HA PRO 14 -2.132 -11.736 -8.545 107 HB2 PRO 14 HB1 PRO 14 0.354 -12.912 -9.053 108 HB3 PRO 14 HB2 PRO 14 -1.206 -13.736 -9.433 109 HG2 PRO 14 HG1 PRO 14 0.516 -12.088 -11.365 110 HG3 PRO 14 HG2 PRO 14 -0.126 -13.770 -11.593 111 HD2 PRO 14 HD1 PRO 14 -1.452 -11.583 -12.609 112 HD3 PRO 14 HD2 PRO 14 -2.382 -12.966 -11.891 113 H LYS 15 HN LYS 15 -0.962 -9.447 -10.619 114 HA LYS 15 HA LYS 15 1.205 -8.268 -9.303 115 HB2 LYS 15 HB1 LYS 15 -1.047 -6.891 -10.896 116 HB3 LYS 15 HB2 LYS 15 0.534 -6.178 -10.453 117 HG2 LYS 15 HG1 LYS 15 1.251 -6.830 -12.495 118 HG3 LYS 15 HG2 LYS 15 1.427 -8.422 -11.729 119 HD2 LYS 15 HD1 LYS 15 0.275 -8.926 -13.735 120 HD3 LYS 15 HD2 LYS 15 -1.002 -8.939 -12.496 121 HE2 LYS 15 HE1 LYS 15 -1.908 -7.825 -14.449 122 HE3 LYS 15 HE2 LYS 15 -1.634 -6.538 -13.213 123 HZ1 LYS 15 HZ1 LYS 15 0.452 -6.005 -14.343 124 HZ2 LYS 15 HZ2 LYS 15 -0.866 -5.883 -15.401 125 HZ3 LYS 15 HZ3 LYS 15 0.171 -7.212 -15.497 126 H LEU 16 HN LEU 16 -2.332 -8.035 -8.576 127 HA LEU 16 HA LEU 16 -2.066 -5.904 -6.757 128 HB2 LEU 16 HB1 LEU 16 -4.323 -6.439 -6.011 129 HB3 LEU 16 HB2 LEU 16 -4.182 -6.493 -7.785 130 HG LEU 16 HG LEU 16 -3.801 -9.156 -7.272 131 HD11 LEU 16 HD11 LEU 16 -5.783 -8.207 -5.096 132 HD12 LEU 16 HD12 LEU 16 -4.152 -8.887 -4.757 133 HD13 LEU 16 HD13 LEU 16 -5.408 -9.911 -5.536 134 HD21 LEU 16 HD21 LEU 16 -5.439 -8.158 -8.858 135 HD22 LEU 16 HD22 LEU 16 -6.526 -7.731 -7.479 136 HD23 LEU 16 HD23 LEU 16 -6.187 -9.460 -7.868 137 H PHE 17 HN PHE 17 -1.871 -9.453 -6.172 138 HA PHE 17 HA PHE 17 -1.436 -9.235 -3.393 139 HB2 PHE 17 HB1 PHE 17 -0.554 -11.395 -5.423 140 HB3 PHE 17 HB2 PHE 17 -0.423 -11.578 -3.633 141 HD1 PHE 17 HD1 PHE 17 -2.317 -12.670 -6.231 142 HD2 PHE 17 HD2 PHE 17 -2.806 -10.726 -2.423 143 HE1 PHE 17 HE1 PHE 17 -4.593 -13.623 -6.024 144 HE2 PHE 17 HE2 PHE 17 -5.084 -11.652 -2.244 145 HZ PHE 17 HZ PHE 17 -5.980 -13.108 -4.037 146 H SER 18 HN SER 18 0.827 -9.270 -6.135 147 HA SER 18 HA SER 18 3.216 -9.261 -4.661 148 HB2 SER 18 HB1 SER 18 3.027 -9.705 -7.146 149 HB3 SER 18 HB2 SER 18 2.654 -7.970 -7.395 150 HG SER 18 HG1 SER 18 5.092 -9.098 -6.419 151 H LEU 19 HN LEU 19 1.254 -6.443 -5.800 152 HA LEU 19 HA LEU 19 2.952 -4.476 -4.778 153 HB2 LEU 19 HB1 LEU 19 -0.077 -4.552 -5.234 154 HB3 LEU 19 HB2 LEU 19 0.770 -3.056 -4.728 155 HG LEU 19 HG LEU 19 1.457 -4.591 -7.292 156 HD11 LEU 19 HD11 LEU 19 -0.894 -3.770 -7.372 157 HD12 LEU 19 HD12 LEU 19 0.162 -2.816 -8.481 158 HD13 LEU 19 HD13 LEU 19 -0.347 -2.117 -6.898 159 HD21 LEU 19 HD21 LEU 19 2.560 -2.434 -7.942 160 HD22 LEU 19 HD22 LEU 19 3.318 -3.144 -6.475 161 HD23 LEU 19 HD23 LEU 19 2.181 -1.749 -6.320 162 H VAL 20 HN VAL 20 0.190 -6.121 -3.051 163 HA VAL 20 HA VAL 20 0.727 -4.456 -0.758 164 HB VAL 20 HB VAL 20 -0.975 -5.668 0.439 165 HG11 VAL 20 HG11 VAL 20 -2.830 -4.835 -0.966 166 HG12 VAL 20 HG12 VAL 20 -1.448 -3.687 -1.049 167 HG13 VAL 20 HG13 VAL 20 -1.778 -4.810 -2.421 168 HG21 VAL 20 HG21 VAL 20 -0.820 -7.979 -0.497 169 HG22 VAL 20 HG22 VAL 20 -2.440 -7.287 -0.831 170 HG23 VAL 20 HG23 VAL 20 -1.224 -7.356 -2.149 171 H THR 21 HN THR 21 1.309 -8.001 -1.345 172 HA THR 21 HA THR 21 2.786 -7.998 1.212 173 HB THR 21 HB THR 21 0.880 -9.404 1.339 174 HG1 THR 21 HG1 THR 21 2.255 -10.333 2.551 175 HG21 THR 21 HG21 THR 21 0.496 -10.085 -0.964 176 HG22 THR 21 HG22 THR 21 0.758 -11.550 0.032 177 HG23 THR 21 HG23 THR 21 2.072 -10.950 -1.055 178 H LYS 22 HN LYS 22 4.226 -6.821 -0.345 179 HA LYS 22 HA LYS 22 5.882 -8.032 -2.174 180 HB2 LYS 22 HB1 LYS 22 6.522 -5.855 -0.090 181 HB3 LYS 22 HB2 LYS 22 7.472 -6.140 -1.575 182 HG2 LYS 22 HG1 LYS 22 5.753 -5.357 -3.006 183 HG3 LYS 22 HG2 LYS 22 4.484 -5.431 -1.767 184 HD2 LYS 22 HD1 LYS 22 6.945 -3.585 -1.575 185 HD3 LYS 22 HD2 LYS 22 5.413 -3.075 -2.337 186 HE2 LYS 22 HE1 LYS 22 5.640 -4.005 0.618 187 HE3 LYS 22 HE2 LYS 22 5.693 -2.287 0.069 188 HZ1 LYS 22 HZ1 LYS 22 3.410 -3.724 0.630 189 HZ2 LYS 22 HZ2 LYS 22 3.461 -3.671 -1.056 190 HZ3 LYS 22 HZ3 LYS 22 3.549 -2.246 -0.202 191 H LYS 23 HN LYS 23 6.294 -7.811 1.358 192 HA LYS 23 HA LYS 23 7.549 -8.842 2.839 193 HB2 LYS 23 HB1 LYS 23 8.329 -10.849 0.695 194 HB3 LYS 23 HB2 LYS 23 8.621 -11.032 2.449 195 HG2 LYS 23 HG1 LYS 23 6.237 -11.166 2.940 196 HG3 LYS 23 HG2 LYS 23 5.809 -10.608 1.290 197 HD2 LYS 23 HD1 LYS 23 6.939 -12.715 0.358 198 HD3 LYS 23 HD2 LYS 23 7.132 -13.292 2.027 199 HE2 LYS 23 HE1 LYS 23 5.134 -14.316 0.925 200 HE3 LYS 23 HE2 LYS 23 4.631 -13.315 2.346 201 HZ1 LYS 23 HZ1 LYS 23 3.643 -11.804 1.009 202 HZ2 LYS 23 HZ2 LYS 23 3.534 -13.091 -0.072 203 HZ3 LYS 23 HZ3 LYS 23 4.751 -11.911 -0.211 204 H SER 24 HN SER 24 8.555 -6.701 1.044 205 HA SER 24 HA SER 24 11.005 -6.330 2.332 206 HB2 SER 24 HB1 SER 24 11.977 -7.810 0.578 207 HB3 SER 24 HB2 SER 24 11.158 -6.857 -0.707 208 HG SER 24 HG1 SER 24 13.450 -6.332 -0.205
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