NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618607 | 5w54 | 30306 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 23.601 0.111 9.387 2 H2 PHE 1 HT2 PHE 1 22.363 -0.766 8.641 3 H3 PHE 1 HT3 PHE 1 22.425 0.916 8.473 4 HA PHE 1 HA PHE 1 24.472 0.770 7.241 5 HB2 PHE 1 HB2 PHE 1 24.108 -2.193 7.712 6 HB3 PHE 1 HB1 PHE 1 25.189 -1.541 6.485 7 HD1 PHE 1 HD1 PHE 1 24.627 -2.002 10.065 8 HD2 PHE 1 HD2 PHE 1 27.244 -0.425 7.102 9 HE1 PHE 1 HE1 PHE 1 26.409 -1.805 11.750 10 HE2 PHE 1 HE2 PHE 1 29.031 -0.226 8.782 11 HZ PHE 1 HZ PHE 1 28.615 -0.916 11.110 12 H GLY 2 HN GLY 2 24.394 0.727 5.001 13 HA2 GLY 2 HA2 GLY 2 21.757 0.029 3.879 14 HA3 GLY 2 HA1 GLY 2 22.818 1.282 3.254 15 H VAL 3 HN VAL 3 25.234 -0.142 3.203 16 HA VAL 3 HA VAL 3 24.773 -2.478 1.529 17 HB VAL 3 HB VAL 3 26.460 -1.616 -0.172 18 HG11 VAL 3 HG11 VAL 3 24.758 -0.410 -1.465 19 HG12 VAL 3 HG12 VAL 3 23.767 -0.277 -0.012 20 HG13 VAL 3 HG13 VAL 3 24.114 -1.863 -0.700 21 HG21 VAL 3 HG21 VAL 3 25.757 1.049 1.069 22 HG22 VAL 3 HG22 VAL 3 26.568 0.839 -0.483 23 HG23 VAL 3 HG23 VAL 3 27.354 0.304 1.003 24 H LYS 4 HN LYS 4 26.000 -4.022 2.284 25 HA LYS 4 HA LYS 4 28.238 -3.554 4.004 26 HB2 LYS 4 HB2 LYS 4 26.945 -6.021 2.872 27 HB3 LYS 4 HB1 LYS 4 28.437 -6.116 3.792 28 HG2 LYS 4 HG2 LYS 4 27.327 -5.081 5.708 29 HG3 LYS 4 HG1 LYS 4 25.828 -4.987 4.781 30 HD2 LYS 4 HD2 LYS 4 25.795 -7.426 4.587 31 HD3 LYS 4 HD1 LYS 4 27.299 -7.522 5.505 32 HE2 LYS 4 HE2 LYS 4 26.185 -6.499 7.429 33 HE3 LYS 4 HE1 LYS 4 24.683 -6.404 6.511 34 HZ1 LYS 4 HZ1 LYS 4 24.669 -8.817 6.356 35 HZ2 LYS 4 HZ2 LYS 4 24.698 -8.321 7.973 36 HZ3 LYS 4 HZ3 LYS 4 26.108 -8.905 7.243 37 H ASP 5 HN ASP 5 27.848 -4.716 0.674 38 HA ASP 5 HA ASP 5 30.756 -4.605 0.319 39 HB2 ASP 5 HB2 ASP 5 28.599 -6.231 -0.994 40 HB3 ASP 5 HB1 ASP 5 30.137 -5.968 -1.797 41 H GLY 6 HN GLY 6 31.252 -2.614 -0.357 42 HA2 GLY 6 HA2 GLY 6 29.739 -1.503 -2.643 43 HA3 GLY 6 HA1 GLY 6 30.432 -0.505 -1.372 44 H LYS 7 HN LYS 7 32.435 0.266 -1.628 45 HA LYS 7 HA LYS 7 34.150 -0.938 -3.694 46 HB2 LYS 7 HB2 LYS 7 32.904 1.331 -4.234 47 HB3 LYS 7 HB1 LYS 7 34.191 2.027 -3.262 48 HG2 LYS 7 HG2 LYS 7 35.857 1.057 -4.763 49 HG3 LYS 7 HG1 LYS 7 34.567 0.344 -5.734 50 HD2 LYS 7 HD2 LYS 7 33.706 2.588 -6.223 51 HD3 LYS 7 HD1 LYS 7 35.009 3.294 -5.262 52 HE2 LYS 7 HE2 LYS 7 36.659 2.335 -6.784 53 HE3 LYS 7 HE1 LYS 7 35.368 1.602 -7.734 54 HZ1 LYS 7 HZ1 LYS 7 35.777 4.517 -7.336 55 HZ2 LYS 7 HZ2 LYS 7 34.544 3.812 -8.253 56 HZ3 LYS 7 HZ3 LYS 7 36.155 3.651 -8.739 57 H CYS 8 HN CYS 8 34.340 1.630 -1.188 58 HA CYS 8 HA CYS 8 36.721 0.309 -0.114 59 HB2 CYS 8 HB2 CYS 8 36.151 3.254 -0.468 60 HB3 CYS 8 HB1 CYS 8 37.496 2.616 0.452 61 HA PRO 9 HA PRO 9 34.614 0.588 3.841 62 HB2 PRO 9 HB2 PRO 9 37.066 0.961 5.356 63 HB3 PRO 9 HB1 PRO 9 36.098 -0.511 5.173 64 HG2 PRO 9 HG2 PRO 9 38.589 -0.244 4.149 65 HG3 PRO 9 HG1 PRO 9 37.339 -1.281 3.428 66 HD2 PRO 9 HD2 PRO 9 38.199 1.471 2.618 67 HD3 PRO 9 HD1 PRO 9 37.853 0.055 1.606 68 H SER 10 HN SER 10 35.176 3.203 2.439 69 HA SER 10 HA SER 10 34.860 5.415 2.743 70 HB2 SER 10 HB2 SER 10 33.967 4.632 5.532 71 HB3 SER 10 HB1 SER 10 33.744 6.223 4.804 72 HG SER 10 HG SER 10 32.825 3.989 3.402 73 H GLY 11 HN GLY 11 36.744 6.377 2.532 74 HA2 GLY 11 HA2 GLY 11 38.335 7.901 3.426 75 HA3 GLY 11 HA1 GLY 11 38.230 7.069 4.968 76 H ARG 12 HN ARG 12 38.898 5.930 1.659 77 HA ARG 12 HA ARG 12 41.518 4.967 2.560 78 HB2 ARG 12 HB2 ARG 12 39.387 3.316 2.114 79 HB3 ARG 12 HB1 ARG 12 40.158 3.316 0.534 80 HG2 ARG 12 HG2 ARG 12 41.240 1.561 1.498 81 HG3 ARG 12 HG1 ARG 12 42.316 2.879 1.964 82 HD2 ARG 12 HD2 ARG 12 40.917 3.027 4.101 83 HD3 ARG 12 HD1 ARG 12 40.263 1.459 3.634 84 HE ARG 12 HE ARG 12 43.030 1.243 3.548 85 HH11 ARG 12 HH11 ARG 12 41.515 1.115 7.268 86 HH12 ARG 12 HH12 ARG 12 40.577 1.821 5.996 87 HH21 ARG 12 HH21 ARG 12 43.586 0.272 6.840 88 HH22 ARG 12 HH22 ARG 12 44.245 0.330 5.240 89 H VAL 13 HN VAL 13 43.053 4.578 0.797 90 HA VAL 13 HA VAL 13 42.756 6.579 -1.305 91 HB VAL 13 HB VAL 13 44.806 6.582 0.107 92 HG11 VAL 13 HG11 VAL 13 46.590 4.926 -0.316 93 HG12 VAL 13 HG12 VAL 13 45.440 3.966 -1.248 94 HG13 VAL 13 HG13 VAL 13 45.172 4.235 0.474 95 HG21 VAL 13 HG21 VAL 13 46.430 6.863 -1.724 96 HG22 VAL 13 HG22 VAL 13 44.883 7.644 -2.059 97 HG23 VAL 13 HG23 VAL 13 45.282 6.109 -2.832 98 H ARG 14 HN ARG 14 42.469 6.124 -3.404 99 HA ARG 14 HA ARG 14 42.238 3.311 -4.177 100 HB2 ARG 14 HB2 ARG 14 40.417 5.146 -4.535 101 HB3 ARG 14 HB1 ARG 14 41.400 5.601 -5.919 102 HG2 ARG 14 HG2 ARG 14 41.199 3.266 -6.755 103 HG3 ARG 14 HG1 ARG 14 40.088 2.934 -5.425 104 HD2 ARG 14 HD2 ARG 14 38.737 3.408 -7.298 105 HD3 ARG 14 HD1 ARG 14 38.688 4.851 -6.289 106 HE ARG 14 HE ARG 14 40.739 5.201 -8.134 107 HH11 ARG 14 HH11 ARG 14 37.071 5.822 -9.649 108 HH12 ARG 14 HH12 ARG 14 37.243 4.877 -8.208 109 HH21 ARG 14 HH21 ARG 14 40.490 6.437 -10.018 110 HH22 ARG 14 HH22 ARG 14 38.909 6.703 -10.673 111 H ARG 15 HN ARG 15 43.334 2.402 -5.827 112 HA ARG 15 HA ARG 15 45.190 3.944 -7.452 113 HB2 ARG 15 HB2 ARG 15 46.059 1.813 -5.499 114 HB3 ARG 15 HB1 ARG 15 47.021 2.223 -6.909 115 HG2 ARG 15 HG2 ARG 15 47.197 4.531 -6.117 116 HG3 ARG 15 HG1 ARG 15 46.243 4.108 -4.694 117 HD2 ARG 15 HD2 ARG 15 47.955 2.508 -4.014 118 HD3 ARG 15 HD1 ARG 15 48.903 2.902 -5.448 119 HE ARG 15 HE ARG 15 48.383 5.249 -3.976 120 HH11 ARG 15 HH11 ARG 15 51.586 3.110 -2.837 121 HH12 ARG 15 HH12 ARG 15 50.355 2.350 -3.790 122 HH21 ARG 15 HH21 ARG 15 50.005 6.224 -2.731 123 HH22 ARG 15 HH22 ARG 15 51.387 5.302 -2.239 124 H LEU 16 HN LEU 16 45.208 3.182 -9.484 125 HA LEU 16 HA LEU 16 44.898 1.912 -11.326 126 HB2 LEU 16 HB2 LEU 16 45.356 -0.315 -9.354 127 HB3 LEU 16 HB1 LEU 16 45.051 -0.629 -11.050 128 HG LEU 16 HG LEU 16 47.067 1.007 -11.428 129 HD11 LEU 16 HD11 LEU 16 48.764 0.789 -9.646 130 HD12 LEU 16 HD12 LEU 16 47.540 0.061 -8.605 131 HD13 LEU 16 HD13 LEU 16 47.358 1.728 -9.149 132 HD21 LEU 16 HD21 LEU 16 47.044 -1.329 -12.080 133 HD22 LEU 16 HD22 LEU 16 47.402 -1.815 -10.424 134 HD23 LEU 16 HD23 LEU 16 48.595 -0.910 -11.355 135 H GLY 17 HN GLY 17 42.606 2.227 -9.067 136 HA2 GLY 17 HA2 GLY 17 40.306 2.280 -9.963 137 HA3 GLY 17 HA1 GLY 17 40.626 0.692 -10.638 138 H ILE 18 HN ILE 18 42.117 0.409 -7.811 139 HA ILE 18 HA ILE 18 39.744 -0.029 -6.164 140 HB ILE 18 HB ILE 18 40.662 -2.308 -5.458 141 HG12 ILE 18 HG12 ILE 18 41.712 -3.394 -7.681 142 HG13 ILE 18 HG11 ILE 18 42.366 -1.770 -7.842 143 HG21 ILE 18 HG21 ILE 18 39.455 -3.455 -7.269 144 HG22 ILE 18 HG22 ILE 18 39.482 -1.967 -8.214 145 HG23 ILE 18 HG23 ILE 18 38.589 -2.029 -6.693 146 HD11 ILE 18 HD11 ILE 18 43.922 -3.272 -6.723 147 HD12 ILE 18 HD12 ILE 18 42.727 -3.574 -5.461 148 HD13 ILE 18 HD13 ILE 18 43.413 -1.961 -5.658 149 H CYS 19 HN CYS 19 40.030 0.214 -4.032 150 HA CYS 19 HA CYS 19 42.579 1.289 -3.138 151 HB2 CYS 19 HB2 CYS 19 41.317 1.971 -1.127 152 HB3 CYS 19 HB1 CYS 19 40.564 2.548 -2.609 153 H VAL 20 HN VAL 20 43.652 0.602 -1.253 154 HA VAL 20 HA VAL 20 42.915 -1.970 -0.103 155 HB VAL 20 HB VAL 20 45.351 -2.762 -0.312 156 HG11 VAL 20 HG11 VAL 20 43.596 -2.664 -2.770 157 HG12 VAL 20 HG12 VAL 20 43.491 -3.839 -1.460 158 HG13 VAL 20 HG13 VAL 20 44.916 -3.802 -2.501 159 HG21 VAL 20 HG21 VAL 20 46.353 -0.689 -1.157 160 HG22 VAL 20 HG22 VAL 20 45.339 -0.769 -2.597 161 HG23 VAL 20 HG23 VAL 20 46.571 -2.000 -2.318 162 HA PRO 21 HA PRO 21 44.601 -0.086 3.580 163 HB2 PRO 21 HB2 PRO 21 45.417 -2.607 4.760 164 HB3 PRO 21 HB1 PRO 21 43.998 -1.621 5.145 165 HG2 PRO 21 HG2 PRO 21 43.834 -4.065 3.985 166 HG3 PRO 21 HG1 PRO 21 42.634 -2.780 3.747 167 HD2 PRO 21 HD2 PRO 21 44.876 -3.620 1.950 168 HD3 PRO 21 HD1 PRO 21 43.203 -3.183 1.543 169 H ASP 22 HN ASP 22 46.476 0.702 4.406 170 HA ASP 22 HA ASP 22 48.986 -0.439 3.368 171 HB2 ASP 22 HB2 ASP 22 48.247 2.409 4.046 172 HB3 ASP 22 HB1 ASP 22 49.908 1.896 3.767 173 H ASP 23 HN ASP 23 47.560 1.139 6.233 174 HA ASP 23 HA ASP 23 49.848 0.362 7.865 175 HB2 ASP 23 HB2 ASP 23 47.420 2.064 8.421 176 HB3 ASP 23 HB1 ASP 23 48.580 1.622 9.670 177 H ASP 24 HN ASP 24 46.544 -0.602 7.297 178 HA ASP 24 HA ASP 24 46.383 -2.225 9.691 179 HB2 ASP 24 HB2 ASP 24 44.505 -1.657 7.412 180 HB3 ASP 24 HB1 ASP 24 44.162 -2.910 8.593 181 H TYR 25 HN TYR 25 46.688 -2.727 6.190 182 HA TYR 25 HA TYR 25 47.472 -5.513 6.728 183 HB2 TYR 25 HB2 TYR 25 45.131 -5.099 5.632 184 HB3 TYR 25 HB1 TYR 25 46.066 -4.769 4.179 185 HD1 TYR 25 HD1 TYR 25 45.016 -7.344 6.561 186 HD2 TYR 25 HD2 TYR 25 47.273 -6.550 3.044 187 HE1 TYR 25 HE1 TYR 25 45.129 -9.756 6.096 188 HE2 TYR 25 HE2 TYR 25 47.393 -8.959 2.568 189 HH TYR 25 HH TYR 25 47.231 -11.086 3.790 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 18.917 -0.750 1.083 2 H2 PHE 1 HT2 PHE 1 19.965 -0.960 2.394 3 H3 PHE 1 HT3 PHE 1 18.316 -1.296 2.568 4 HA PHE 1 HA PHE 1 19.595 -3.326 2.378 5 HB2 PHE 1 HB2 PHE 1 17.235 -2.903 1.311 6 HB3 PHE 1 HB1 PHE 1 18.104 -3.033 -0.213 7 HD1 PHE 1 HD1 PHE 1 19.047 -5.144 -0.932 8 HD2 PHE 1 HD2 PHE 1 16.940 -4.823 2.751 9 HE1 PHE 1 HE1 PHE 1 18.879 -7.597 -0.819 10 HE2 PHE 1 HE2 PHE 1 16.769 -7.274 2.870 11 HZ PHE 1 HZ PHE 1 17.739 -8.664 1.083 12 H GLY 2 HN GLY 2 21.269 -4.416 1.520 13 HA2 GLY 2 HA2 GLY 2 22.542 -4.964 -0.543 14 HA3 GLY 2 HA1 GLY 2 22.605 -3.233 -0.839 15 H VAL 3 HN VAL 3 24.721 -2.787 -0.725 16 HA VAL 3 HA VAL 3 26.042 -3.098 1.845 17 HB VAL 3 HB VAL 3 28.201 -3.810 0.693 18 HG11 VAL 3 HG11 VAL 3 27.635 -6.195 0.788 19 HG12 VAL 3 HG12 VAL 3 25.922 -5.777 0.813 20 HG13 VAL 3 HG13 VAL 3 26.966 -5.294 2.150 21 HG21 VAL 3 HG21 VAL 3 27.623 -3.457 -1.631 22 HG22 VAL 3 HG22 VAL 3 26.292 -4.608 -1.511 23 HG23 VAL 3 HG23 VAL 3 27.957 -5.169 -1.368 24 H LYS 4 HN LYS 4 26.751 -1.187 2.400 25 HA LYS 4 HA LYS 4 27.099 0.936 0.494 26 HB2 LYS 4 HB2 LYS 4 27.726 2.301 2.529 27 HB3 LYS 4 HB1 LYS 4 26.122 1.594 2.556 28 HG2 LYS 4 HG2 LYS 4 26.936 -0.177 4.053 29 HG3 LYS 4 HG1 LYS 4 28.540 0.557 4.034 30 HD2 LYS 4 HD2 LYS 4 27.617 2.601 5.014 31 HD3 LYS 4 HD1 LYS 4 26.009 1.874 5.022 32 HE2 LYS 4 HE2 LYS 4 26.814 0.125 6.535 33 HE3 LYS 4 HE1 LYS 4 28.418 0.857 6.527 34 HZ1 LYS 4 HZ1 LYS 4 27.164 1.498 8.486 35 HZ2 LYS 4 HZ2 LYS 4 25.933 2.144 7.523 36 HZ3 LYS 4 HZ3 LYS 4 27.469 2.849 7.516 37 H ASP 5 HN ASP 5 29.276 -0.832 2.688 38 HA ASP 5 HA ASP 5 31.549 0.099 1.082 39 HB2 ASP 5 HB2 ASP 5 31.259 -0.354 4.040 40 HB3 ASP 5 HB1 ASP 5 32.833 -0.397 3.268 41 H GLY 6 HN GLY 6 32.205 -1.502 -0.191 42 HA2 GLY 6 HA2 GLY 6 31.926 -4.283 0.694 43 HA3 GLY 6 HA1 GLY 6 32.199 -3.750 -0.956 44 H LYS 7 HN LYS 7 34.399 -2.346 -1.016 45 HA LYS 7 HA LYS 7 36.452 -4.226 -0.163 46 HB2 LYS 7 HB2 LYS 7 36.343 -2.012 -2.184 47 HB3 LYS 7 HB1 LYS 7 37.883 -2.666 -1.658 48 HG2 LYS 7 HG2 LYS 7 37.203 -4.889 -2.405 49 HG3 LYS 7 HG1 LYS 7 35.647 -4.236 -2.923 50 HD2 LYS 7 HD2 LYS 7 36.801 -2.766 -4.510 51 HD3 LYS 7 HD1 LYS 7 38.353 -3.433 -3.995 52 HE2 LYS 7 HE2 LYS 7 37.654 -5.647 -4.762 53 HE3 LYS 7 HE1 LYS 7 36.100 -4.986 -5.267 54 HZ1 LYS 7 HZ1 LYS 7 37.257 -3.571 -6.847 55 HZ2 LYS 7 HZ2 LYS 7 37.616 -5.199 -7.131 56 HZ3 LYS 7 HZ3 LYS 7 38.748 -4.206 -6.362 57 H CYS 8 HN CYS 8 35.858 -0.703 -0.019 58 HA CYS 8 HA CYS 8 37.506 -0.605 2.407 59 HB2 CYS 8 HB2 CYS 8 38.209 1.746 1.543 60 HB3 CYS 8 HB1 CYS 8 39.023 0.324 0.904 61 HA PRO 9 HA PRO 9 34.125 1.833 4.028 62 HB2 PRO 9 HB2 PRO 9 35.783 3.346 5.851 63 HB3 PRO 9 HB1 PRO 9 34.780 1.930 6.204 64 HG2 PRO 9 HG2 PRO 9 37.497 1.919 6.331 65 HG3 PRO 9 HG1 PRO 9 36.512 0.479 6.005 66 HD2 PRO 9 HD2 PRO 9 37.991 2.227 4.076 67 HD3 PRO 9 HD1 PRO 9 37.868 0.456 4.130 68 H SER 10 HN SER 10 35.544 3.028 1.696 69 HA SER 10 HA SER 10 35.393 4.878 0.398 70 HB2 SER 10 HB2 SER 10 33.806 6.100 2.668 71 HB3 SER 10 HB1 SER 10 33.992 6.806 1.063 72 HG SER 10 HG SER 10 33.070 4.760 0.283 73 H GLY 11 HN GLY 11 36.281 5.579 3.760 74 HA2 GLY 11 HA2 GLY 11 37.938 7.837 2.972 75 HA3 GLY 11 HA1 GLY 11 37.701 7.236 4.606 76 H ARG 12 HN ARG 12 38.889 5.717 1.619 77 HA ARG 12 HA ARG 12 41.446 5.152 2.956 78 HB2 ARG 12 HB2 ARG 12 39.582 3.236 2.591 79 HB3 ARG 12 HB1 ARG 12 40.396 3.134 1.039 80 HG2 ARG 12 HG2 ARG 12 42.341 2.340 1.957 81 HG3 ARG 12 HG1 ARG 12 42.051 3.112 3.517 82 HD2 ARG 12 HD2 ARG 12 40.187 1.474 3.871 83 HD3 ARG 12 HD1 ARG 12 40.719 0.649 2.408 84 HE ARG 12 HE ARG 12 42.973 0.677 3.816 85 HH11 ARG 12 HH11 ARG 12 40.269 -1.283 6.050 86 HH12 ARG 12 HH12 ARG 12 39.722 -0.165 4.844 87 HH21 ARG 12 HH21 ARG 12 42.499 -1.631 6.367 88 HH22 ARG 12 HH22 ARG 12 43.665 -0.785 5.406 89 H VAL 13 HN VAL 13 43.034 4.215 1.116 90 HA VAL 13 HA VAL 13 43.129 6.307 -0.902 91 HB VAL 13 HB VAL 13 45.127 5.784 0.506 92 HG11 VAL 13 HG11 VAL 13 45.246 3.226 -1.085 93 HG12 VAL 13 HG12 VAL 13 44.999 3.380 0.656 94 HG13 VAL 13 HG13 VAL 13 46.539 3.850 -0.061 95 HG21 VAL 13 HG21 VAL 13 46.778 5.910 -1.307 96 HG22 VAL 13 HG22 VAL 13 45.408 6.988 -1.574 97 HG23 VAL 13 HG23 VAL 13 45.524 5.470 -2.465 98 H ARG 14 HN ARG 14 42.961 6.032 -3.060 99 HA ARG 14 HA ARG 14 42.306 3.332 -4.039 100 HB2 ARG 14 HB2 ARG 14 40.582 5.349 -4.037 101 HB3 ARG 14 HB1 ARG 14 41.433 5.778 -5.515 102 HG2 ARG 14 HG2 ARG 14 40.945 3.513 -6.399 103 HG3 ARG 14 HG1 ARG 14 39.991 3.192 -4.951 104 HD2 ARG 14 HD2 ARG 14 39.454 5.523 -6.776 105 HD3 ARG 14 HD1 ARG 14 38.716 3.941 -7.011 106 HE ARG 14 HE ARG 14 38.277 4.777 -4.362 107 HH11 ARG 14 HH11 ARG 14 35.684 6.189 -7.085 108 HH12 ARG 14 HH12 ARG 14 37.220 5.586 -7.612 109 HH21 ARG 14 HH21 ARG 14 36.263 5.572 -3.697 110 HH22 ARG 14 HH22 ARG 14 35.143 6.181 -4.870 111 H ARG 15 HN ARG 15 43.403 2.524 -5.709 112 HA ARG 15 HA ARG 15 45.102 4.228 -7.365 113 HB2 ARG 15 HB2 ARG 15 46.095 1.917 -5.694 114 HB3 ARG 15 HB1 ARG 15 46.968 2.495 -7.105 115 HG2 ARG 15 HG2 ARG 15 47.211 4.689 -6.080 116 HG3 ARG 15 HG1 ARG 15 46.291 4.144 -4.676 117 HD2 ARG 15 HD2 ARG 15 48.560 4.000 -4.049 118 HD3 ARG 15 HD1 ARG 15 48.054 2.347 -4.391 119 HE ARG 15 HE ARG 15 49.175 3.518 -6.706 120 HH11 ARG 15 HH11 ARG 15 51.736 1.775 -4.148 121 HH12 ARG 15 HH12 ARG 15 50.156 2.220 -3.594 122 HH21 ARG 15 HH21 ARG 15 51.248 2.928 -7.409 123 HH22 ARG 15 HH22 ARG 15 52.352 2.177 -6.306 124 H LEU 16 HN LEU 16 44.946 3.670 -9.455 125 HA LEU 16 HA LEU 16 44.485 2.583 -11.383 126 HB2 LEU 16 HB2 LEU 16 45.147 0.180 -9.694 127 HB3 LEU 16 HB1 LEU 16 44.723 0.039 -11.388 128 HG LEU 16 HG LEU 16 46.671 1.766 -11.725 129 HD11 LEU 16 HD11 LEU 16 47.374 0.522 -9.069 130 HD12 LEU 16 HD12 LEU 16 47.115 2.234 -9.402 131 HD13 LEU 16 HD13 LEU 16 48.500 1.399 -10.105 132 HD21 LEU 16 HD21 LEU 16 46.641 -0.485 -12.632 133 HD22 LEU 16 HD22 LEU 16 47.142 -1.139 -11.073 134 HD23 LEU 16 HD23 LEU 16 48.237 -0.102 -11.986 135 H GLY 17 HN GLY 17 42.388 2.690 -8.965 136 HA2 GLY 17 HA2 GLY 17 40.031 2.735 -9.445 137 HA3 GLY 17 HA1 GLY 17 40.269 1.392 -10.549 138 H ILE 18 HN ILE 18 42.033 0.881 -7.730 139 HA ILE 18 HA ILE 18 39.831 -0.394 -6.295 140 HB ILE 18 HB ILE 18 41.237 -2.481 -5.937 141 HG12 ILE 18 HG12 ILE 18 42.601 -2.830 -8.256 142 HG13 ILE 18 HG11 ILE 18 42.891 -1.116 -7.982 143 HG21 ILE 18 HG21 ILE 18 39.217 -2.480 -7.285 144 HG22 ILE 18 HG22 ILE 18 40.430 -3.538 -8.008 145 HG23 ILE 18 HG23 ILE 18 40.133 -1.940 -8.693 146 HD11 ILE 18 HD11 ILE 18 43.511 -3.340 -6.054 147 HD12 ILE 18 HD12 ILE 18 43.800 -1.622 -5.777 148 HD13 ILE 18 HD13 ILE 18 44.676 -2.469 -7.053 149 H CYS 19 HN CYS 19 39.983 -0.240 -4.173 150 HA CYS 19 HA CYS 19 42.287 1.117 -3.027 151 HB2 CYS 19 HB2 CYS 19 40.783 1.208 -0.975 152 HB3 CYS 19 HB1 CYS 19 40.221 2.085 -2.394 153 H VAL 20 HN VAL 20 43.451 0.383 -1.241 154 HA VAL 20 HA VAL 20 43.059 -2.380 -0.381 155 HB VAL 20 HB VAL 20 45.588 -2.767 -0.559 156 HG11 VAL 20 HG11 VAL 20 45.404 -3.556 -2.884 157 HG12 VAL 20 HG12 VAL 20 43.937 -2.597 -3.085 158 HG13 VAL 20 HG13 VAL 20 43.962 -3.940 -1.942 159 HG21 VAL 20 HG21 VAL 20 45.364 -0.513 -2.573 160 HG22 VAL 20 HG22 VAL 20 46.758 -1.570 -2.370 161 HG23 VAL 20 HG23 VAL 20 46.290 -0.470 -1.073 162 HA PRO 21 HA PRO 21 44.263 -0.791 3.619 163 HB2 PRO 21 HB2 PRO 21 45.774 -3.191 4.337 164 HB3 PRO 21 HB1 PRO 21 44.210 -2.634 4.959 165 HG2 PRO 21 HG2 PRO 21 44.442 -4.827 3.427 166 HG3 PRO 21 HG1 PRO 21 43.012 -3.774 3.385 167 HD2 PRO 21 HD2 PRO 21 45.323 -3.889 1.481 168 HD3 PRO 21 HD1 PRO 21 43.584 -3.754 1.141 169 H ASP 22 HN ASP 22 45.977 -0.021 4.928 170 HA ASP 22 HA ASP 22 48.663 -0.187 3.738 171 HB2 ASP 22 HB2 ASP 22 47.217 2.280 4.714 172 HB3 ASP 22 HB1 ASP 22 48.959 2.232 4.466 173 H ASP 23 HN ASP 23 49.938 -1.201 5.149 174 HA ASP 23 HA ASP 23 49.615 -0.631 8.023 175 HB2 ASP 23 HB2 ASP 23 50.450 -3.182 6.637 176 HB3 ASP 23 HB1 ASP 23 50.683 -2.912 8.361 177 H ASP 24 HN ASP 24 51.960 -1.322 5.447 178 HA ASP 24 HA ASP 24 54.177 -0.507 7.153 179 HB2 ASP 24 HB2 ASP 24 53.984 -1.808 4.447 180 HB3 ASP 24 HB1 ASP 24 55.500 -1.144 5.038 181 H TYR 25 HN TYR 25 52.576 0.464 4.135 182 HA TYR 25 HA TYR 25 54.070 3.002 4.211 183 HB2 TYR 25 HB2 TYR 25 52.845 1.519 1.880 184 HB3 TYR 25 HB1 TYR 25 53.426 3.176 1.768 185 HD1 TYR 25 HD1 TYR 25 55.809 3.665 1.823 186 HD2 TYR 25 HD2 TYR 25 54.395 -0.339 2.089 187 HE1 TYR 25 HE1 TYR 25 58.077 2.839 1.351 188 HE2 TYR 25 HE2 TYR 25 56.659 -1.176 1.618 189 HH TYR 25 HH TYR 25 58.726 -0.392 0.544 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 25.806 0.750 9.047 2 H2 PHE 1 HT2 PHE 1 24.508 0.676 7.966 3 H3 PHE 1 HT3 PHE 1 25.448 2.078 8.060 4 HA PHE 1 HA PHE 1 27.363 0.914 7.218 5 HB2 PHE 1 HB2 PHE 1 25.452 -1.428 7.156 6 HB3 PHE 1 HB1 PHE 1 26.980 -1.404 6.281 7 HD1 PHE 1 HD1 PHE 1 25.393 -1.610 9.566 8 HD2 PHE 1 HD2 PHE 1 29.089 -1.557 7.456 9 HE1 PHE 1 HE1 PHE 1 26.548 -2.430 11.577 10 HE2 PHE 1 HE2 PHE 1 30.251 -2.377 9.464 11 HZ PHE 1 HZ PHE 1 28.981 -2.816 11.528 12 H GLY 2 HN GLY 2 27.801 1.179 5.073 13 HA2 GLY 2 HA2 GLY 2 25.623 1.157 3.128 14 HA3 GLY 2 HA1 GLY 2 26.409 2.703 3.407 15 H VAL 3 HN VAL 3 26.889 -0.595 2.286 16 HA VAL 3 HA VAL 3 28.971 0.349 0.474 17 HB VAL 3 HB VAL 3 30.324 -1.773 0.948 18 HG11 VAL 3 HG11 VAL 3 30.228 0.405 3.028 19 HG12 VAL 3 HG12 VAL 3 31.113 0.450 1.503 20 HG13 VAL 3 HG13 VAL 3 31.577 -0.699 2.759 21 HG21 VAL 3 HG21 VAL 3 28.719 -2.968 2.350 22 HG22 VAL 3 HG22 VAL 3 28.780 -1.675 3.549 23 HG23 VAL 3 HG23 VAL 3 30.210 -2.661 3.241 24 H LYS 4 HN LYS 4 28.255 -0.127 -1.463 25 HA LYS 4 HA LYS 4 26.568 -2.465 -1.904 26 HB2 LYS 4 HB2 LYS 4 27.156 0.029 -3.460 27 HB3 LYS 4 HB1 LYS 4 26.442 -1.362 -4.256 28 HG2 LYS 4 HG2 LYS 4 24.584 -1.307 -2.642 29 HG3 LYS 4 HG1 LYS 4 25.293 0.135 -1.911 30 HD2 LYS 4 HD2 LYS 4 25.051 1.338 -4.016 31 HD3 LYS 4 HD1 LYS 4 24.392 -0.109 -4.781 32 HE2 LYS 4 HE2 LYS 4 22.509 -0.070 -3.211 33 HE3 LYS 4 HE1 LYS 4 23.165 1.388 -2.468 34 HZ1 LYS 4 HZ1 LYS 4 21.417 1.908 -4.050 35 HZ2 LYS 4 HZ2 LYS 4 22.273 1.139 -5.291 36 HZ3 LYS 4 HZ3 LYS 4 22.897 2.539 -4.575 37 H ASP 5 HN ASP 5 29.737 -1.214 -2.756 38 HA ASP 5 HA ASP 5 30.225 -3.377 -4.642 39 HB2 ASP 5 HB2 ASP 5 32.481 -2.264 -4.919 40 HB3 ASP 5 HB1 ASP 5 31.095 -1.284 -5.374 41 H GLY 6 HN GLY 6 31.636 -2.201 -1.579 42 HA2 GLY 6 HA2 GLY 6 32.349 -3.534 0.214 43 HA3 GLY 6 HA1 GLY 6 32.261 -4.943 -0.825 44 H LYS 7 HN LYS 7 33.997 -1.950 -1.521 45 HA LYS 7 HA LYS 7 36.481 -3.485 -1.691 46 HB2 LYS 7 HB2 LYS 7 35.527 -0.921 -2.925 47 HB3 LYS 7 HB1 LYS 7 37.243 -1.272 -2.833 48 HG2 LYS 7 HG2 LYS 7 36.888 -3.341 -4.094 49 HG3 LYS 7 HG1 LYS 7 35.165 -2.970 -4.194 50 HD2 LYS 7 HD2 LYS 7 35.681 -0.915 -5.420 51 HD3 LYS 7 HD1 LYS 7 37.404 -1.286 -5.318 52 HE2 LYS 7 HE2 LYS 7 37.032 -3.341 -6.597 53 HE3 LYS 7 HE1 LYS 7 35.314 -2.966 -6.700 54 HZ1 LYS 7 HZ1 LYS 7 37.518 -1.330 -7.837 55 HZ2 LYS 7 HZ2 LYS 7 35.871 -0.953 -7.927 56 HZ3 LYS 7 HZ3 LYS 7 36.468 -2.327 -8.716 57 H CYS 8 HN CYS 8 35.355 -0.298 -0.517 58 HA CYS 8 HA CYS 8 37.138 -0.530 1.780 59 HB2 CYS 8 HB2 CYS 8 37.789 1.918 1.447 60 HB3 CYS 8 HB1 CYS 8 38.557 0.745 0.379 61 HA PRO 9 HA PRO 9 33.434 1.251 3.631 62 HB2 PRO 9 HB2 PRO 9 34.776 1.554 6.173 63 HB3 PRO 9 HB1 PRO 9 33.623 0.300 5.690 64 HG2 PRO 9 HG2 PRO 9 36.252 -0.181 6.225 65 HG3 PRO 9 HG1 PRO 9 35.251 -1.183 5.154 66 HD2 PRO 9 HD2 PRO 9 37.232 0.940 4.438 67 HD3 PRO 9 HD1 PRO 9 36.943 -0.642 3.685 68 H SER 10 HN SER 10 35.127 3.088 2.223 69 HA SER 10 HA SER 10 35.456 5.295 1.897 70 HB2 SER 10 HB2 SER 10 33.639 5.664 4.294 71 HB3 SER 10 HB1 SER 10 34.157 6.952 3.210 72 HG SER 10 HG SER 10 32.357 4.864 2.773 73 H GLY 11 HN GLY 11 37.534 5.660 2.153 74 HA2 GLY 11 HA2 GLY 11 38.743 7.276 3.878 75 HA3 GLY 11 HA1 GLY 11 38.731 5.790 4.814 76 H ARG 12 HN ARG 12 39.071 4.110 2.412 77 HA ARG 12 HA ARG 12 41.969 4.360 2.180 78 HB2 ARG 12 HB2 ARG 12 40.031 2.176 1.416 79 HB3 ARG 12 HB1 ARG 12 41.734 2.114 1.007 80 HG2 ARG 12 HG2 ARG 12 41.686 0.863 2.921 81 HG3 ARG 12 HG1 ARG 12 42.067 2.455 3.578 82 HD2 ARG 12 HD2 ARG 12 39.689 2.789 4.097 83 HD3 ARG 12 HD1 ARG 12 39.332 1.188 3.453 84 HE ARG 12 HE ARG 12 41.229 0.761 5.379 85 HH11 ARG 12 HH11 ARG 12 37.717 1.813 7.019 86 HH12 ARG 12 HH12 ARG 12 38.044 2.239 5.372 87 HH21 ARG 12 HH21 ARG 12 39.266 0.670 8.240 88 HH22 ARG 12 HH22 ARG 12 40.780 0.217 7.533 89 H VAL 13 HN VAL 13 43.030 4.925 0.377 90 HA VAL 13 HA VAL 13 41.579 5.043 -2.175 91 HB VAL 13 HB VAL 13 43.358 7.296 -1.180 92 HG11 VAL 13 HG11 VAL 13 43.424 6.874 -3.641 93 HG12 VAL 13 HG12 VAL 13 42.791 8.463 -3.205 94 HG13 VAL 13 HG13 VAL 13 41.686 7.178 -3.693 95 HG21 VAL 13 HG21 VAL 13 41.207 7.329 -0.030 96 HG22 VAL 13 HG22 VAL 13 40.365 7.254 -1.578 97 HG23 VAL 13 HG23 VAL 13 41.328 8.674 -1.166 98 H ARG 14 HN ARG 14 42.625 3.930 -3.647 99 HA ARG 14 HA ARG 14 45.544 3.932 -3.645 100 HB2 ARG 14 HB2 ARG 14 43.771 1.523 -3.638 101 HB3 ARG 14 HB1 ARG 14 45.321 1.460 -4.461 102 HG2 ARG 14 HG2 ARG 14 45.235 2.465 -1.659 103 HG3 ARG 14 HG1 ARG 14 45.090 0.735 -1.947 104 HD2 ARG 14 HD2 ARG 14 47.320 2.402 -3.089 105 HD3 ARG 14 HD1 ARG 14 47.426 1.606 -1.520 106 HE ARG 14 HE ARG 14 46.680 -0.314 -3.404 107 HH11 ARG 14 HH11 ARG 14 50.604 0.550 -3.384 108 HH12 ARG 14 HH12 ARG 14 49.484 1.684 -2.704 109 HH21 ARG 14 HH21 ARG 14 48.164 -1.781 -4.288 110 HH22 ARG 14 HH22 ARG 14 49.854 -1.409 -4.280 111 H ARG 15 HN ARG 15 46.160 2.586 -5.825 112 HA ARG 15 HA ARG 15 45.104 4.265 -7.961 113 HB2 ARG 15 HB2 ARG 15 47.630 2.655 -7.640 114 HB3 ARG 15 HB1 ARG 15 47.153 3.305 -9.200 115 HG2 ARG 15 HG2 ARG 15 47.184 5.567 -8.267 116 HG3 ARG 15 HG1 ARG 15 47.669 4.910 -6.702 117 HD2 ARG 15 HD2 ARG 15 49.661 5.656 -7.701 118 HD3 ARG 15 HD1 ARG 15 49.664 3.906 -7.914 119 HE ARG 15 HE ARG 15 48.507 5.010 -10.188 120 HH11 ARG 15 HH11 ARG 15 52.514 5.285 -10.116 121 HH12 ARG 15 HH12 ARG 15 51.654 5.052 -8.630 122 HH21 ARG 15 HH21 ARG 15 49.654 5.317 -12.121 123 HH22 ARG 15 HH22 ARG 15 51.383 5.434 -12.089 124 H LEU 16 HN LEU 16 45.264 3.104 -10.228 125 HA LEU 16 HA LEU 16 44.500 1.601 -11.734 126 HB2 LEU 16 HB2 LEU 16 44.610 -0.342 -9.429 127 HB3 LEU 16 HB1 LEU 16 44.128 -0.798 -11.051 128 HG LEU 16 HG LEU 16 46.489 0.310 -11.641 129 HD11 LEU 16 HD11 LEU 16 46.839 -0.739 -8.835 130 HD12 LEU 16 HD12 LEU 16 47.024 0.937 -9.356 131 HD13 LEU 16 HD13 LEU 16 48.144 -0.296 -9.936 132 HD21 LEU 16 HD21 LEU 16 46.067 -2.484 -10.590 133 HD22 LEU 16 HD22 LEU 16 47.435 -1.958 -11.571 134 HD23 LEU 16 HD23 LEU 16 45.806 -1.933 -12.245 135 H GLY 17 HN GLY 17 42.773 2.363 -8.906 136 HA2 GLY 17 HA2 GLY 17 40.451 3.112 -9.341 137 HA3 GLY 17 HA1 GLY 17 40.234 1.622 -10.246 138 H ILE 18 HN ILE 18 42.006 0.443 -7.930 139 HA ILE 18 HA ILE 18 39.704 -0.234 -6.253 140 HB ILE 18 HB ILE 18 41.189 -2.048 -5.313 141 HG12 ILE 18 HG12 ILE 18 42.933 -1.901 -7.729 142 HG13 ILE 18 HG11 ILE 18 43.297 -0.779 -6.422 143 HG21 ILE 18 HG21 ILE 18 40.884 -3.522 -7.270 144 HG22 ILE 18 HG22 ILE 18 40.582 -2.101 -8.273 145 HG23 ILE 18 HG23 ILE 18 39.468 -2.510 -6.967 146 HD11 ILE 18 HD11 ILE 18 43.164 -3.776 -6.196 147 HD12 ILE 18 HD12 ILE 18 43.509 -2.661 -4.875 148 HD13 ILE 18 HD13 ILE 18 44.627 -2.793 -6.233 149 H CYS 19 HN CYS 19 39.638 0.027 -4.068 150 HA CYS 19 HA CYS 19 41.714 1.750 -2.899 151 HB2 CYS 19 HB2 CYS 19 39.876 2.386 -1.266 152 HB3 CYS 19 HB1 CYS 19 39.703 2.966 -2.915 153 H VAL 20 HN VAL 20 42.912 0.952 -1.369 154 HA VAL 20 HA VAL 20 41.872 -0.918 0.582 155 HB VAL 20 HB VAL 20 43.912 -2.480 0.273 156 HG11 VAL 20 HG11 VAL 20 41.634 -2.545 -1.710 157 HG12 VAL 20 HG12 VAL 20 41.606 -3.186 -0.068 158 HG13 VAL 20 HG13 VAL 20 42.660 -3.915 -1.281 159 HG21 VAL 20 HG21 VAL 20 43.849 -1.136 -2.429 160 HG22 VAL 20 HG22 VAL 20 44.480 -2.767 -2.210 161 HG23 VAL 20 HG23 VAL 20 45.236 -1.411 -1.371 162 HA PRO 21 HA PRO 21 44.806 1.190 3.201 163 HB2 PRO 21 HB2 PRO 21 45.351 -1.169 4.827 164 HB3 PRO 21 HB1 PRO 21 44.401 0.268 5.242 165 HG2 PRO 21 HG2 PRO 21 43.284 -2.159 4.900 166 HG3 PRO 21 HG1 PRO 21 42.439 -0.644 4.529 167 HD2 PRO 21 HD2 PRO 21 43.796 -2.551 2.662 168 HD3 PRO 21 HD1 PRO 21 42.246 -1.703 2.483 169 H ASP 22 HN ASP 22 46.976 1.528 3.590 170 HA ASP 22 HA ASP 22 48.864 -0.489 2.578 171 HB2 ASP 22 HB2 ASP 22 48.349 1.559 1.030 172 HB3 ASP 22 HB1 ASP 22 49.386 2.438 2.149 173 H ASP 23 HN ASP 23 48.677 2.589 4.407 174 HA ASP 23 HA ASP 23 50.918 1.691 6.074 175 HB2 ASP 23 HB2 ASP 23 49.719 4.421 5.607 176 HB3 ASP 23 HB1 ASP 23 50.914 4.104 6.860 177 H ASP 24 HN ASP 24 47.532 1.987 6.147 178 HA ASP 24 HA ASP 24 47.327 2.383 9.012 179 HB2 ASP 24 HB2 ASP 24 45.319 2.055 6.793 180 HB3 ASP 24 HB1 ASP 24 44.838 2.033 8.482 181 H TYR 25 HN TYR 25 46.589 -0.199 6.663 182 HA TYR 25 HA TYR 25 46.867 -2.167 8.822 183 HB2 TYR 25 HB2 TYR 25 44.587 -2.029 6.841 184 HB3 TYR 25 HB1 TYR 25 44.963 -3.471 7.777 185 HD1 TYR 25 HD1 TYR 25 43.634 -0.062 7.901 186 HD2 TYR 25 HD2 TYR 25 44.528 -3.549 10.167 187 HE1 TYR 25 HE1 TYR 25 42.267 0.800 9.756 188 HE2 TYR 25 HE2 TYR 25 43.164 -2.698 12.028 189 HH TYR 25 HH TYR 25 41.041 -0.075 11.700 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 36.432 17.697 -2.282 2 H2 PHE 1 HT2 PHE 1 35.870 18.104 -0.740 3 H3 PHE 1 HT3 PHE 1 34.931 17.126 -1.750 4 HA PHE 1 HA PHE 1 36.562 15.377 -1.660 5 HB2 PHE 1 HB2 PHE 1 38.017 17.331 0.132 6 HB3 PHE 1 HB1 PHE 1 38.413 15.618 0.048 7 HD1 PHE 1 HD1 PHE 1 38.537 18.827 -1.695 8 HD2 PHE 1 HD2 PHE 1 39.493 14.685 -1.906 9 HE1 PHE 1 HE1 PHE 1 40.019 19.270 -3.607 10 HE2 PHE 1 HE2 PHE 1 40.978 15.122 -3.819 11 HZ PHE 1 HZ PHE 1 41.243 17.417 -4.672 12 H GLY 2 HN GLY 2 36.128 13.729 -0.266 13 HA2 GLY 2 HA2 GLY 2 35.721 13.441 2.313 14 HA3 GLY 2 HA1 GLY 2 34.270 14.349 1.912 15 H VAL 3 HN VAL 3 32.525 13.222 1.400 16 HA VAL 3 HA VAL 3 32.776 10.616 0.115 17 HB VAL 3 HB VAL 3 30.988 9.681 1.692 18 HG11 VAL 3 HG11 VAL 3 33.772 10.170 2.737 19 HG12 VAL 3 HG12 VAL 3 33.266 8.865 1.665 20 HG13 VAL 3 HG13 VAL 3 32.664 8.929 3.321 21 HG21 VAL 3 HG21 VAL 3 30.361 11.746 2.843 22 HG22 VAL 3 HG22 VAL 3 31.996 11.897 3.487 23 HG23 VAL 3 HG23 VAL 3 30.972 10.552 3.990 24 H LYS 4 HN LYS 4 31.620 10.768 -1.652 25 HA LYS 4 HA LYS 4 29.177 12.389 -1.662 26 HB2 LYS 4 HB2 LYS 4 29.349 12.227 -4.170 27 HB3 LYS 4 HB1 LYS 4 30.655 13.097 -3.388 28 HG2 LYS 4 HG2 LYS 4 31.054 10.205 -3.990 29 HG3 LYS 4 HG1 LYS 4 31.109 11.359 -5.322 30 HD2 LYS 4 HD2 LYS 4 32.848 12.626 -4.146 31 HD3 LYS 4 HD1 LYS 4 32.789 11.471 -2.815 32 HE2 LYS 4 HE2 LYS 4 33.485 9.685 -4.336 33 HE3 LYS 4 HE1 LYS 4 33.534 10.837 -5.669 34 HZ1 LYS 4 HZ1 LYS 4 35.734 10.444 -4.760 35 HZ2 LYS 4 HZ2 LYS 4 35.223 10.945 -3.228 36 HZ3 LYS 4 HZ3 LYS 4 35.271 12.051 -4.506 37 H ASP 5 HN ASP 5 30.361 9.182 -2.624 38 HA ASP 5 HA ASP 5 27.589 8.196 -2.483 39 HB2 ASP 5 HB2 ASP 5 28.701 8.416 -4.848 40 HB3 ASP 5 HB1 ASP 5 29.569 6.960 -4.374 41 H GLY 6 HN GLY 6 31.039 7.342 -2.288 42 HA2 GLY 6 HA2 GLY 6 31.977 6.140 -0.465 43 HA3 GLY 6 HA1 GLY 6 30.398 5.437 -0.149 44 H LYS 7 HN LYS 7 33.302 5.259 -2.062 45 HA LYS 7 HA LYS 7 32.404 2.767 -3.322 46 HB2 LYS 7 HB2 LYS 7 33.527 4.792 -4.566 47 HB3 LYS 7 HB1 LYS 7 35.018 4.094 -3.952 48 HG2 LYS 7 HG2 LYS 7 34.520 1.996 -5.091 49 HG3 LYS 7 HG1 LYS 7 33.005 2.676 -5.690 50 HD2 LYS 7 HD2 LYS 7 34.264 4.392 -6.906 51 HD3 LYS 7 HD1 LYS 7 35.775 3.708 -6.308 52 HE2 LYS 7 HE2 LYS 7 35.274 1.603 -7.452 53 HE3 LYS 7 HE1 LYS 7 33.761 2.288 -8.049 54 HZ1 LYS 7 HZ1 LYS 7 35.033 3.947 -9.261 55 HZ2 LYS 7 HZ2 LYS 7 35.494 2.387 -9.724 56 HZ3 LYS 7 HZ3 LYS 7 36.484 3.288 -8.690 57 H CYS 8 HN CYS 8 35.144 4.092 -1.460 58 HA CYS 8 HA CYS 8 36.128 1.410 -0.916 59 HB2 CYS 8 HB2 CYS 8 37.271 4.143 -0.312 60 HB3 CYS 8 HB1 CYS 8 38.065 2.621 0.052 61 HA PRO 9 HA PRO 9 34.528 1.019 3.228 62 HB2 PRO 9 HB2 PRO 9 37.270 0.531 4.282 63 HB3 PRO 9 HB1 PRO 9 35.823 -0.490 4.381 64 HG2 PRO 9 HG2 PRO 9 37.795 -1.133 2.755 65 HG3 PRO 9 HG1 PRO 9 36.102 -1.340 2.257 66 HD2 PRO 9 HD2 PRO 9 38.041 0.807 1.496 67 HD3 PRO 9 HD1 PRO 9 36.859 -0.055 0.492 68 H SER 10 HN SER 10 33.943 3.193 3.499 69 HA SER 10 HA SER 10 33.669 5.081 4.701 70 HB2 SER 10 HB2 SER 10 35.942 4.056 6.417 71 HB3 SER 10 HB1 SER 10 34.929 5.446 6.804 72 HG SER 10 HG SER 10 34.366 2.745 6.949 73 H GLY 11 HN GLY 11 37.157 4.493 4.223 74 HA2 GLY 11 HA2 GLY 11 37.515 6.734 2.551 75 HA3 GLY 11 HA1 GLY 11 37.968 7.177 4.190 76 H ARG 12 HN ARG 12 38.631 4.974 1.539 77 HA ARG 12 HA ARG 12 41.307 4.454 2.649 78 HB2 ARG 12 HB2 ARG 12 39.385 2.634 1.932 79 HB3 ARG 12 HB1 ARG 12 40.347 2.727 0.464 80 HG2 ARG 12 HG2 ARG 12 41.471 1.063 1.509 81 HG3 ARG 12 HG1 ARG 12 42.326 2.434 2.215 82 HD2 ARG 12 HD2 ARG 12 40.831 2.343 4.164 83 HD3 ARG 12 HD1 ARG 12 40.014 0.950 3.458 84 HE ARG 12 HE ARG 12 42.806 0.489 3.682 85 HH11 ARG 12 HH11 ARG 12 40.492 -0.541 6.800 86 HH12 ARG 12 HH12 ARG 12 39.876 0.563 5.616 87 HH21 ARG 12 HH21 ARG 12 42.595 -1.400 6.588 88 HH22 ARG 12 HH22 ARG 12 43.591 -0.955 5.243 89 H VAL 13 HN VAL 13 42.970 3.993 0.851 90 HA VAL 13 HA VAL 13 42.869 6.201 -1.041 91 HB VAL 13 HB VAL 13 44.882 5.842 0.395 92 HG11 VAL 13 HG11 VAL 13 45.330 3.387 -1.297 93 HG12 VAL 13 HG12 VAL 13 45.030 3.436 0.440 94 HG13 VAL 13 HG13 VAL 13 46.523 4.107 -0.214 95 HG21 VAL 13 HG21 VAL 13 45.082 7.167 -1.616 96 HG22 VAL 13 HG22 VAL 13 45.380 5.717 -2.574 97 HG23 VAL 13 HG23 VAL 13 46.555 6.228 -1.364 98 H ARG 14 HN ARG 14 42.697 6.013 -3.207 99 HA ARG 14 HA ARG 14 42.178 3.338 -4.278 100 HB2 ARG 14 HB2 ARG 14 40.549 5.350 -4.484 101 HB3 ARG 14 HB1 ARG 14 41.632 5.894 -5.757 102 HG2 ARG 14 HG2 ARG 14 41.209 3.931 -7.054 103 HG3 ARG 14 HG1 ARG 14 40.317 3.184 -5.728 104 HD2 ARG 14 HD2 ARG 14 38.702 3.981 -7.257 105 HD3 ARG 14 HD1 ARG 14 38.690 5.097 -5.894 106 HE ARG 14 HE ARG 14 40.425 5.971 -7.988 107 HH11 ARG 14 HH11 ARG 14 36.637 7.306 -7.951 108 HH12 ARG 14 HH12 ARG 14 37.053 5.912 -7.010 109 HH21 ARG 14 HH21 ARG 14 39.857 7.794 -9.211 110 HH22 ARG 14 HH22 ARG 14 38.224 8.369 -9.195 111 H ARG 15 HN ARG 15 43.250 2.477 -5.939 112 HA ARG 15 HA ARG 15 45.235 3.918 -7.467 113 HB2 ARG 15 HB2 ARG 15 46.000 1.808 -5.452 114 HB3 ARG 15 HB1 ARG 15 46.980 2.088 -6.883 115 HG2 ARG 15 HG2 ARG 15 47.292 4.424 -6.202 116 HG3 ARG 15 HG1 ARG 15 46.330 4.118 -4.754 117 HD2 ARG 15 HD2 ARG 15 48.569 3.955 -4.054 118 HD3 ARG 15 HD1 ARG 15 48.009 2.290 -4.209 119 HE ARG 15 HE ARG 15 49.157 2.946 -6.634 120 HH11 ARG 15 HH11 ARG 15 51.887 2.313 -3.757 121 HH12 ARG 15 HH12 ARG 15 50.264 2.717 -3.308 122 HH21 ARG 15 HH21 ARG 15 51.287 2.416 -7.196 123 HH22 ARG 15 HH22 ARG 15 52.465 2.142 -5.957 124 H LEU 16 HN LEU 16 45.063 3.202 -9.503 125 HA LEU 16 HA LEU 16 44.656 1.946 -11.338 126 HB2 LEU 16 HB2 LEU 16 45.289 -0.317 -9.451 127 HB3 LEU 16 HB1 LEU 16 44.955 -0.567 -11.153 128 HG LEU 16 HG LEU 16 46.898 1.172 -11.490 129 HD11 LEU 16 HD11 LEU 16 47.211 1.755 -9.166 130 HD12 LEU 16 HD12 LEU 16 48.645 0.926 -9.769 131 HD13 LEU 16 HD13 LEU 16 47.491 0.066 -8.747 132 HD21 LEU 16 HD21 LEU 16 46.933 -1.125 -12.278 133 HD22 LEU 16 HD22 LEU 16 47.365 -1.689 -10.664 134 HD23 LEU 16 HD23 LEU 16 48.491 -0.686 -11.579 135 H GLY 17 HN GLY 17 42.520 2.241 -8.985 136 HA2 GLY 17 HA2 GLY 17 40.170 2.210 -9.486 137 HA3 GLY 17 HA1 GLY 17 40.439 0.785 -10.475 138 H ILE 18 HN ILE 18 42.146 0.600 -7.556 139 HA ILE 18 HA ILE 18 39.938 -0.640 -6.095 140 HB ILE 18 HB ILE 18 41.435 -2.613 -5.487 141 HG12 ILE 18 HG12 ILE 18 42.889 -3.144 -7.691 142 HG13 ILE 18 HG11 ILE 18 43.058 -1.395 -7.664 143 HG21 ILE 18 HG21 ILE 18 40.732 -3.898 -7.465 144 HG22 ILE 18 HG22 ILE 18 40.382 -2.389 -8.306 145 HG23 ILE 18 HG23 ILE 18 39.453 -2.834 -6.875 146 HD11 ILE 18 HD11 ILE 18 43.950 -1.518 -5.396 147 HD12 ILE 18 HD12 ILE 18 44.906 -2.474 -6.527 148 HD13 ILE 18 HD13 ILE 18 43.781 -3.273 -5.429 149 H CYS 19 HN CYS 19 40.040 -0.463 -3.941 150 HA CYS 19 HA CYS 19 42.149 1.206 -2.829 151 HB2 CYS 19 HB2 CYS 19 39.354 0.569 -2.133 152 HB3 CYS 19 HB1 CYS 19 40.431 0.769 -0.757 153 H VAL 20 HN VAL 20 43.606 0.603 -1.341 154 HA VAL 20 HA VAL 20 43.396 -2.013 -0.061 155 HB VAL 20 HB VAL 20 45.879 -2.428 -0.549 156 HG11 VAL 20 HG11 VAL 20 45.376 -3.535 -2.690 157 HG12 VAL 20 HG12 VAL 20 43.878 -2.611 -2.807 158 HG13 VAL 20 HG13 VAL 20 44.091 -3.779 -1.503 159 HG21 VAL 20 HG21 VAL 20 46.459 -0.228 -1.477 160 HG22 VAL 20 HG22 VAL 20 45.324 -0.480 -2.805 161 HG23 VAL 20 HG23 VAL 20 46.754 -1.503 -2.661 162 HA PRO 21 HA PRO 21 45.103 0.123 3.473 163 HB2 PRO 21 HB2 PRO 21 46.740 -2.172 4.277 164 HB3 PRO 21 HB1 PRO 21 45.295 -1.506 5.057 165 HG2 PRO 21 HG2 PRO 21 45.274 -3.891 3.839 166 HG3 PRO 21 HG1 PRO 21 43.861 -2.816 3.852 167 HD2 PRO 21 HD2 PRO 21 45.864 -3.265 1.670 168 HD3 PRO 21 HD1 PRO 21 44.095 -3.140 1.572 169 H ASP 22 HN ASP 22 46.832 1.324 4.132 170 HA ASP 22 HA ASP 22 49.254 1.152 2.488 171 HB2 ASP 22 HB2 ASP 22 47.778 3.294 2.829 172 HB3 ASP 22 HB1 ASP 22 48.663 3.431 4.346 173 H ASP 23 HN ASP 23 48.161 0.369 5.597 174 HA ASP 23 HA ASP 23 50.754 0.698 6.892 175 HB2 ASP 23 HB2 ASP 23 48.055 -0.193 7.912 176 HB3 ASP 23 HB1 ASP 23 49.510 -0.236 8.901 177 H ASP 24 HN ASP 24 48.585 -1.881 5.815 178 HA ASP 24 HA ASP 24 50.408 -3.953 6.723 179 HB2 ASP 24 HB2 ASP 24 47.663 -3.965 5.493 180 HB3 ASP 24 HB1 ASP 24 48.603 -5.442 5.652 181 H TYR 25 HN TYR 25 49.166 -2.630 3.675 182 HA TYR 25 HA TYR 25 51.178 -4.211 2.216 183 HB2 TYR 25 HB2 TYR 25 48.508 -3.121 1.323 184 HB3 TYR 25 HB1 TYR 25 49.713 -3.728 0.194 185 HD1 TYR 25 HD1 TYR 25 50.155 -6.093 0.001 186 HD2 TYR 25 HD2 TYR 25 47.343 -4.645 2.845 187 HE1 TYR 25 HE1 TYR 25 49.304 -8.380 0.316 188 HE2 TYR 25 HE2 TYR 25 46.484 -6.927 3.168 189 HH TYR 25 HH TYR 25 48.102 -9.678 2.022 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 27.734 14.333 3.530 2 H2 PHE 1 HT2 PHE 1 27.797 14.808 5.151 3 H3 PHE 1 HT3 PHE 1 26.306 14.705 4.360 4 HA PHE 1 HA PHE 1 28.118 12.433 4.934 5 HB2 PHE 1 HB2 PHE 1 25.547 13.350 6.232 6 HB3 PHE 1 HB1 PHE 1 26.203 11.730 6.445 7 HD1 PHE 1 HD1 PHE 1 26.622 15.275 7.233 8 HD2 PHE 1 HD2 PHE 1 28.191 11.354 7.765 9 HE1 PHE 1 HE1 PHE 1 28.025 16.091 9.082 10 HE2 PHE 1 HE2 PHE 1 29.597 12.164 9.615 11 HZ PHE 1 HZ PHE 1 29.514 14.534 10.275 12 H GLY 2 HN GLY 2 27.370 10.402 4.301 13 HA2 GLY 2 HA2 GLY 2 25.032 9.564 3.237 14 HA3 GLY 2 HA1 GLY 2 25.764 10.425 1.892 15 H VAL 3 HN VAL 3 26.146 8.713 0.563 16 HA VAL 3 HA VAL 3 28.133 6.752 1.507 17 HB VAL 3 HB VAL 3 25.995 6.055 -0.525 18 HG11 VAL 3 HG11 VAL 3 28.006 4.674 -0.609 19 HG12 VAL 3 HG12 VAL 3 26.630 3.741 -0.019 20 HG13 VAL 3 HG13 VAL 3 27.850 4.322 1.113 21 HG21 VAL 3 HG21 VAL 3 24.863 6.536 1.583 22 HG22 VAL 3 HG22 VAL 3 25.956 5.443 2.433 23 HG23 VAL 3 HG23 VAL 3 24.829 4.807 1.234 24 H LYS 4 HN LYS 4 29.948 7.435 0.579 25 HA LYS 4 HA LYS 4 29.938 8.338 -2.203 26 HB2 LYS 4 HB2 LYS 4 31.857 8.642 0.085 27 HB3 LYS 4 HB1 LYS 4 32.397 8.888 -1.565 28 HG2 LYS 4 HG2 LYS 4 30.714 10.637 -1.858 29 HG3 LYS 4 HG1 LYS 4 30.171 10.385 -0.198 30 HD2 LYS 4 HD2 LYS 4 32.391 11.019 0.621 31 HD3 LYS 4 HD1 LYS 4 32.931 11.270 -1.041 32 HE2 LYS 4 HE2 LYS 4 31.250 13.027 -1.319 33 HE3 LYS 4 HE1 LYS 4 30.710 12.774 0.340 34 HZ1 LYS 4 HZ1 LYS 4 32.904 13.433 1.115 35 HZ2 LYS 4 HZ2 LYS 4 32.207 14.659 0.179 36 HZ3 LYS 4 HZ3 LYS 4 33.419 13.679 -0.478 37 H ASP 5 HN ASP 5 31.569 6.013 -0.062 38 HA ASP 5 HA ASP 5 32.660 4.619 -2.395 39 HB2 ASP 5 HB2 ASP 5 33.380 4.660 0.525 40 HB3 ASP 5 HB1 ASP 5 33.942 3.375 -0.532 41 H GLY 6 HN GLY 6 31.845 2.736 -3.031 42 HA2 GLY 6 HA2 GLY 6 29.711 1.509 -1.446 43 HA3 GLY 6 HA1 GLY 6 30.044 1.208 -3.145 44 H LYS 7 HN LYS 7 32.859 0.699 -2.835 45 HA LYS 7 HA LYS 7 32.696 -2.016 -1.763 46 HB2 LYS 7 HB2 LYS 7 33.610 -1.256 -4.129 47 HB3 LYS 7 HB1 LYS 7 35.096 -1.003 -3.226 48 HG2 LYS 7 HG2 LYS 7 35.055 -3.340 -2.502 49 HG3 LYS 7 HG1 LYS 7 33.566 -3.592 -3.417 50 HD2 LYS 7 HD2 LYS 7 34.743 -3.028 -5.487 51 HD3 LYS 7 HD1 LYS 7 36.229 -2.761 -4.574 52 HE2 LYS 7 HE2 LYS 7 36.416 -4.927 -5.489 53 HE3 LYS 7 HE1 LYS 7 36.017 -5.157 -3.787 54 HZ1 LYS 7 HZ1 LYS 7 33.710 -5.526 -4.419 55 HZ2 LYS 7 HZ2 LYS 7 34.728 -6.629 -5.199 56 HZ3 LYS 7 HZ3 LYS 7 34.098 -5.310 -6.051 57 H CYS 8 HN CYS 8 34.745 0.892 -1.510 58 HA CYS 8 HA CYS 8 36.275 -0.255 0.662 59 HB2 CYS 8 HB2 CYS 8 36.525 2.594 -0.234 60 HB3 CYS 8 HB1 CYS 8 37.765 1.504 0.357 61 HA PRO 9 HA PRO 9 33.887 1.771 3.879 62 HB2 PRO 9 HB2 PRO 9 36.181 2.113 5.627 63 HB3 PRO 9 HB1 PRO 9 34.899 0.894 5.719 64 HG2 PRO 9 HG2 PRO 9 37.473 0.291 5.130 65 HG3 PRO 9 HG1 PRO 9 36.087 -0.648 4.542 66 HD2 PRO 9 HD2 PRO 9 37.682 1.442 3.113 67 HD3 PRO 9 HD1 PRO 9 37.110 -0.133 2.527 68 H SER 10 HN SER 10 35.136 3.575 1.868 69 HA SER 10 HA SER 10 35.222 5.789 1.410 70 HB2 SER 10 HB2 SER 10 34.374 6.210 4.285 71 HB3 SER 10 HB1 SER 10 34.461 7.474 3.060 72 HG SER 10 HG SER 10 32.844 6.445 1.914 73 H GLY 11 HN GLY 11 36.763 5.015 4.526 74 HA2 GLY 11 HA2 GLY 11 38.805 7.052 4.095 75 HA3 GLY 11 HA1 GLY 11 38.635 6.030 5.513 76 H ARG 12 HN ARG 12 39.085 5.426 2.032 77 HA ARG 12 HA ARG 12 41.511 3.883 2.652 78 HB2 ARG 12 HB2 ARG 12 39.194 2.653 2.025 79 HB3 ARG 12 HB1 ARG 12 39.814 2.936 0.407 80 HG2 ARG 12 HG2 ARG 12 41.763 1.661 0.837 81 HG3 ARG 12 HG1 ARG 12 41.405 1.578 2.562 82 HD2 ARG 12 HD2 ARG 12 39.387 0.269 2.059 83 HD3 ARG 12 HD1 ARG 12 39.791 0.326 0.344 84 HE ARG 12 HE ARG 12 42.006 -0.744 1.498 85 HH11 ARG 12 HH11 ARG 12 38.931 -3.312 1.788 86 HH12 ARG 12 HH12 ARG 12 38.607 -1.624 1.573 87 HH21 ARG 12 HH21 ARG 12 41.080 -4.066 1.907 88 HH22 ARG 12 HH22 ARG 12 42.406 -2.958 1.782 89 H VAL 13 HN VAL 13 42.998 3.657 0.856 90 HA VAL 13 HA VAL 13 43.018 6.032 -0.830 91 HB VAL 13 HB VAL 13 45.031 5.413 0.515 92 HG11 VAL 13 HG11 VAL 13 46.535 3.642 -0.265 93 HG12 VAL 13 HG12 VAL 13 45.309 3.115 -1.416 94 HG13 VAL 13 HG13 VAL 13 44.998 3.000 0.316 95 HG21 VAL 13 HG21 VAL 13 45.458 5.530 -2.467 96 HG22 VAL 13 HG22 VAL 13 46.687 5.859 -1.245 97 HG23 VAL 13 HG23 VAL 13 45.270 6.903 -1.374 98 H ARG 14 HN ARG 14 42.803 6.050 -2.999 99 HA ARG 14 HA ARG 14 42.007 3.547 -4.290 100 HB2 ARG 14 HB2 ARG 14 41.609 6.441 -5.036 101 HB3 ARG 14 HB1 ARG 14 41.226 5.122 -6.130 102 HG2 ARG 14 HG2 ARG 14 40.047 5.106 -3.393 103 HG3 ARG 14 HG1 ARG 14 39.378 6.195 -4.608 104 HD2 ARG 14 HD2 ARG 14 39.755 3.244 -5.079 105 HD3 ARG 14 HD1 ARG 14 38.277 3.922 -4.403 106 HE ARG 14 HE ARG 14 38.988 5.219 -6.831 107 HH11 ARG 14 HH11 ARG 14 36.598 1.999 -7.063 108 HH12 ARG 14 HH12 ARG 14 37.521 2.265 -5.622 109 HH21 ARG 14 HH21 ARG 14 37.771 4.849 -8.708 110 HH22 ARG 14 HH22 ARG 14 36.740 3.461 -8.808 111 H ARG 15 HN ARG 15 43.255 2.526 -5.671 112 HA ARG 15 HA ARG 15 45.283 3.960 -7.213 113 HB2 ARG 15 HB2 ARG 15 45.835 1.614 -5.390 114 HB3 ARG 15 HB1 ARG 15 46.907 2.047 -6.713 115 HG2 ARG 15 HG2 ARG 15 46.174 4.141 -4.725 116 HG3 ARG 15 HG1 ARG 15 47.347 2.905 -4.270 117 HD2 ARG 15 HD2 ARG 15 48.701 3.486 -6.238 118 HD3 ARG 15 HD1 ARG 15 47.535 4.740 -6.659 119 HE ARG 15 HE ARG 15 48.304 5.309 -4.087 120 HH11 ARG 15 HH11 ARG 15 51.237 6.101 -6.717 121 HH12 ARG 15 HH12 ARG 15 49.990 4.981 -7.151 122 HH21 ARG 15 HH21 ARG 15 49.947 6.772 -3.539 123 HH22 ARG 15 HH22 ARG 15 51.212 7.114 -4.672 124 H LEU 16 HN LEU 16 44.969 3.462 -9.289 125 HA LEU 16 HA LEU 16 44.402 2.421 -11.217 126 HB2 LEU 16 HB2 LEU 16 45.306 -0.027 -9.689 127 HB3 LEU 16 HB1 LEU 16 44.934 -0.033 -11.396 128 HG LEU 16 HG LEU 16 47.282 0.035 -11.253 129 HD11 LEU 16 HD11 LEU 16 46.276 1.669 -12.855 130 HD12 LEU 16 HD12 LEU 16 47.927 2.030 -12.354 131 HD13 LEU 16 HD13 LEU 16 46.579 2.929 -11.657 132 HD21 LEU 16 HD21 LEU 16 47.516 0.622 -8.916 133 HD22 LEU 16 HD22 LEU 16 47.039 2.284 -9.264 134 HD23 LEU 16 HD23 LEU 16 48.547 1.645 -9.914 135 H GLY 17 HN GLY 17 42.326 2.714 -9.109 136 HA2 GLY 17 HA2 GLY 17 39.993 2.437 -9.477 137 HA3 GLY 17 HA1 GLY 17 40.332 0.952 -10.349 138 H ILE 18 HN ILE 18 42.138 -0.033 -8.221 139 HA ILE 18 HA ILE 18 40.054 -0.914 -6.345 140 HB ILE 18 HB ILE 18 41.657 -2.780 -5.753 141 HG12 ILE 18 HG12 ILE 18 43.029 -2.442 -8.385 142 HG13 ILE 18 HG11 ILE 18 43.586 -1.421 -7.063 143 HG21 ILE 18 HG21 ILE 18 40.628 -2.632 -8.590 144 HG22 ILE 18 HG22 ILE 18 39.711 -3.132 -7.169 145 HG23 ILE 18 HG23 ILE 18 41.062 -4.116 -7.739 146 HD11 ILE 18 HD11 ILE 18 44.915 -3.443 -7.238 147 HD12 ILE 18 HD12 ILE 18 43.466 -4.428 -7.038 148 HD13 ILE 18 HD13 ILE 18 44.026 -3.405 -5.714 149 H CYS 19 HN CYS 19 40.135 -0.459 -4.241 150 HA CYS 19 HA CYS 19 42.281 1.257 -3.285 151 HB2 CYS 19 HB2 CYS 19 40.813 1.615 -1.327 152 HB3 CYS 19 HB1 CYS 19 40.007 1.976 -2.848 153 H VAL 20 HN VAL 20 43.656 0.821 -1.649 154 HA VAL 20 HA VAL 20 43.527 -1.836 -0.402 155 HB VAL 20 HB VAL 20 46.095 -1.851 -0.475 156 HG11 VAL 20 HG11 VAL 20 46.108 -2.901 -2.703 157 HG12 VAL 20 HG12 VAL 20 44.523 -2.203 -3.033 158 HG13 VAL 20 HG13 VAL 20 44.708 -3.398 -1.748 159 HG21 VAL 20 HG21 VAL 20 46.457 0.461 -1.229 160 HG22 VAL 20 HG22 VAL 20 45.606 0.112 -2.733 161 HG23 VAL 20 HG23 VAL 20 47.136 -0.691 -2.382 162 HA PRO 21 HA PRO 21 44.325 0.309 3.435 163 HB2 PRO 21 HB2 PRO 21 46.004 -1.820 4.509 164 HB3 PRO 21 HB1 PRO 21 44.342 -1.392 4.947 165 HG2 PRO 21 HG2 PRO 21 44.959 -3.687 3.683 166 HG3 PRO 21 HG1 PRO 21 43.417 -2.839 3.449 167 HD2 PRO 21 HD2 PRO 21 45.846 -2.843 1.699 168 HD3 PRO 21 HD1 PRO 21 44.133 -2.963 1.252 169 H ASP 22 HN ASP 22 45.838 1.472 4.643 170 HA ASP 22 HA ASP 22 48.512 1.654 3.429 171 HB2 ASP 22 HB2 ASP 22 46.847 3.709 4.884 172 HB3 ASP 22 HB1 ASP 22 48.543 3.957 4.487 173 H ASP 23 HN ASP 23 46.835 1.629 6.565 174 HA ASP 23 HA ASP 23 49.352 1.494 8.016 175 HB2 ASP 23 HB2 ASP 23 47.159 2.774 8.689 176 HB3 ASP 23 HB1 ASP 23 46.674 1.206 9.327 177 H ASP 24 HN ASP 24 46.760 -0.642 7.022 178 HA ASP 24 HA ASP 24 47.607 -2.812 8.740 179 HB2 ASP 24 HB2 ASP 24 45.440 -2.495 6.677 180 HB3 ASP 24 HB1 ASP 24 45.818 -4.057 7.383 181 H TYR 25 HN TYR 25 47.766 -1.975 5.301 182 HA TYR 25 HA TYR 25 49.694 -4.169 4.922 183 HB2 TYR 25 HB2 TYR 25 47.328 -4.397 3.826 184 HB3 TYR 25 HB1 TYR 25 47.943 -3.220 2.673 185 HD1 TYR 25 HD1 TYR 25 49.685 -3.820 1.089 186 HD2 TYR 25 HD2 TYR 25 48.240 -6.656 3.913 187 HE1 TYR 25 HE1 TYR 25 50.766 -5.628 -0.179 188 HE2 TYR 25 HE2 TYR 25 49.318 -8.471 2.653 189 HH TYR 25 HH TYR 25 50.102 -8.908 0.361 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 28.829 -1.322 -5.311 2 H2 PHE 1 HT2 PHE 1 27.477 -0.929 -6.247 3 H3 PHE 1 HT3 PHE 1 28.894 -1.468 -6.995 4 HA PHE 1 HA PHE 1 27.230 -3.205 -6.943 5 HB2 PHE 1 HB2 PHE 1 29.668 -3.622 -5.203 6 HB3 PHE 1 HB1 PHE 1 28.633 -4.938 -5.747 7 HD1 PHE 1 HD1 PHE 1 28.625 -5.640 -8.062 8 HD2 PHE 1 HD2 PHE 1 31.121 -2.455 -6.742 9 HE1 PHE 1 HE1 PHE 1 29.916 -5.791 -10.152 10 HE2 PHE 1 HE2 PHE 1 32.415 -2.600 -8.830 11 HZ PHE 1 HZ PHE 1 31.813 -4.269 -10.538 12 H GLY 2 HN GLY 2 28.126 -2.036 -3.715 13 HA2 GLY 2 HA2 GLY 2 25.719 -1.957 -2.511 14 HA3 GLY 2 HA1 GLY 2 26.114 -3.665 -2.411 15 H VAL 3 HN VAL 3 26.285 -0.766 -0.836 16 HA VAL 3 HA VAL 3 28.218 -1.825 1.080 17 HB VAL 3 HB VAL 3 29.180 0.533 1.366 18 HG11 VAL 3 HG11 VAL 3 30.863 0.171 -0.379 19 HG12 VAL 3 HG12 VAL 3 29.813 -1.030 -1.132 20 HG13 VAL 3 HG13 VAL 3 30.466 -1.319 0.480 21 HG21 VAL 3 HG21 VAL 3 27.584 1.777 -0.006 22 HG22 VAL 3 HG22 VAL 3 28.083 0.869 -1.432 23 HG23 VAL 3 HG23 VAL 3 29.221 1.956 -0.637 24 H LYS 4 HN LYS 4 27.105 -2.015 2.882 25 HA LYS 4 HA LYS 4 25.020 -0.081 3.549 26 HB2 LYS 4 HB2 LYS 4 25.653 -2.871 4.454 27 HB3 LYS 4 HB1 LYS 4 24.606 -1.841 5.413 28 HG2 LYS 4 HG2 LYS 4 23.092 -1.594 3.513 29 HG3 LYS 4 HG1 LYS 4 24.149 -2.621 2.543 30 HD2 LYS 4 HD2 LYS 4 23.773 -4.475 4.098 31 HD3 LYS 4 HD1 LYS 4 22.723 -3.446 5.073 32 HE2 LYS 4 HE2 LYS 4 21.284 -4.753 3.735 33 HE3 LYS 4 HE1 LYS 4 21.306 -3.153 2.997 34 HZ1 LYS 4 HZ1 LYS 4 22.876 -5.503 2.079 35 HZ2 LYS 4 HZ2 LYS 4 22.899 -3.968 1.369 36 HZ3 LYS 4 HZ3 LYS 4 21.484 -4.893 1.335 37 H ASP 5 HN ASP 5 27.961 -1.530 4.910 38 HA ASP 5 HA ASP 5 27.894 0.400 7.114 39 HB2 ASP 5 HB2 ASP 5 29.755 -1.008 8.078 40 HB3 ASP 5 HB1 ASP 5 28.207 -1.826 7.919 41 H GLY 6 HN GLY 6 30.059 -0.773 4.549 42 HA2 GLY 6 HA2 GLY 6 31.350 0.785 3.241 43 HA3 GLY 6 HA1 GLY 6 31.466 1.816 4.659 44 H LYS 7 HN LYS 7 33.038 -0.449 2.773 45 HA LYS 7 HA LYS 7 34.891 -1.223 4.918 46 HB2 LYS 7 HB2 LYS 7 33.723 -2.912 3.294 47 HB3 LYS 7 HB1 LYS 7 34.954 -2.392 2.154 48 HG2 LYS 7 HG2 LYS 7 36.701 -3.103 3.696 49 HG3 LYS 7 HG1 LYS 7 35.476 -3.598 4.865 50 HD2 LYS 7 HD2 LYS 7 34.615 -5.241 3.272 51 HD3 LYS 7 HD1 LYS 7 35.823 -4.734 2.089 52 HE2 LYS 7 HE2 LYS 7 37.605 -5.434 3.616 53 HE3 LYS 7 HE1 LYS 7 36.396 -5.938 4.796 54 HZ1 LYS 7 HZ1 LYS 7 37.226 -7.812 3.520 55 HZ2 LYS 7 HZ2 LYS 7 36.735 -7.081 2.076 56 HZ3 LYS 7 HZ3 LYS 7 35.580 -7.568 3.211 57 H CYS 8 HN CYS 8 34.842 0.046 1.589 58 HA CYS 8 HA CYS 8 37.597 0.978 1.944 59 HB2 CYS 8 HB2 CYS 8 36.043 0.076 -0.408 60 HB3 CYS 8 HB1 CYS 8 37.180 1.391 -0.674 61 HA PRO 9 HA PRO 9 35.275 4.949 0.405 62 HB2 PRO 9 HB2 PRO 9 32.418 4.561 0.890 63 HB3 PRO 9 HB1 PRO 9 33.240 4.989 -0.618 64 HG2 PRO 9 HG2 PRO 9 32.036 2.615 -0.269 65 HG3 PRO 9 HG1 PRO 9 33.487 2.814 -1.273 66 HD2 PRO 9 HD2 PRO 9 33.274 1.812 1.544 67 HD3 PRO 9 HD1 PRO 9 34.211 1.157 0.186 68 H SER 10 HN SER 10 35.784 3.801 3.143 69 HA SER 10 HA SER 10 34.303 5.779 4.752 70 HB2 SER 10 HB2 SER 10 34.856 4.301 6.710 71 HB3 SER 10 HB1 SER 10 33.788 3.554 5.522 72 HG SER 10 HG SER 10 35.842 2.665 4.627 73 H GLY 11 HN GLY 11 37.454 4.309 4.150 74 HA2 GLY 11 HA2 GLY 11 38.891 6.707 4.600 75 HA3 GLY 11 HA1 GLY 11 39.022 5.667 6.011 76 H ARG 12 HN ARG 12 38.889 4.853 2.565 77 HA ARG 12 HA ARG 12 41.574 3.669 2.760 78 HB2 ARG 12 HB2 ARG 12 39.370 2.173 2.672 79 HB3 ARG 12 HB1 ARG 12 39.521 2.481 0.950 80 HG2 ARG 12 HG2 ARG 12 40.712 0.554 1.077 81 HG3 ARG 12 HG1 ARG 12 42.004 1.706 1.402 82 HD2 ARG 12 HD2 ARG 12 40.403 0.356 3.569 83 HD3 ARG 12 HD1 ARG 12 41.917 -0.286 2.939 84 HE ARG 12 HE ARG 12 42.466 2.308 3.675 85 HH11 ARG 12 HH11 ARG 12 42.008 -0.096 6.860 86 HH12 ARG 12 HH12 ARG 12 41.314 -0.559 5.344 87 HH21 ARG 12 HH21 ARG 12 43.169 1.859 7.045 88 HH22 ARG 12 HH22 ARG 12 43.367 2.894 5.671 89 H VAL 13 HN VAL 13 42.792 3.631 0.802 90 HA VAL 13 HA VAL 13 42.173 5.841 -0.984 91 HB VAL 13 HB VAL 13 44.436 5.608 0.060 92 HG11 VAL 13 HG11 VAL 13 44.783 3.231 -0.023 93 HG12 VAL 13 HG12 VAL 13 46.059 4.031 -0.938 94 HG13 VAL 13 HG13 VAL 13 44.729 3.241 -1.785 95 HG21 VAL 13 HG21 VAL 13 45.717 6.197 -1.947 96 HG22 VAL 13 HG22 VAL 13 44.146 6.998 -1.902 97 HG23 VAL 13 HG23 VAL 13 44.397 5.605 -2.954 98 H ARG 14 HN ARG 14 42.105 5.684 -3.248 99 HA ARG 14 HA ARG 14 41.802 2.989 -4.379 100 HB2 ARG 14 HB2 ARG 14 39.598 4.328 -3.817 101 HB3 ARG 14 HB1 ARG 14 39.989 5.203 -5.288 102 HG2 ARG 14 HG2 ARG 14 39.890 2.217 -5.349 103 HG3 ARG 14 HG1 ARG 14 38.387 3.139 -5.354 104 HD2 ARG 14 HD2 ARG 14 40.626 3.630 -7.309 105 HD3 ARG 14 HD1 ARG 14 39.313 2.499 -7.619 106 HE ARG 14 HE ARG 14 38.171 4.945 -6.919 107 HH11 ARG 14 HH11 ARG 14 39.465 4.760 -10.717 108 HH12 ARG 14 HH12 ARG 14 40.104 3.651 -9.551 109 HH21 ARG 14 HH21 ARG 14 37.351 6.388 -8.463 110 HH22 ARG 14 HH22 ARG 14 37.909 6.309 -10.100 111 H ARG 15 HN ARG 15 43.508 2.857 -5.682 112 HA ARG 15 HA ARG 15 43.820 4.868 -7.784 113 HB2 ARG 15 HB2 ARG 15 46.310 4.761 -7.556 114 HB3 ARG 15 HB1 ARG 15 45.501 5.534 -6.208 115 HG2 ARG 15 HG2 ARG 15 45.793 3.541 -4.850 116 HG3 ARG 15 HG1 ARG 15 46.527 2.695 -6.213 117 HD2 ARG 15 HD2 ARG 15 48.341 4.351 -6.243 118 HD3 ARG 15 HD1 ARG 15 47.611 5.165 -4.861 119 HE ARG 15 HE ARG 15 47.953 2.595 -4.020 120 HH11 ARG 15 HH11 ARG 15 51.508 4.417 -4.450 121 HH12 ARG 15 HH12 ARG 15 50.136 5.024 -5.315 122 HH21 ARG 15 HH21 ARG 15 49.763 1.818 -2.900 123 HH22 ARG 15 HH22 ARG 15 51.297 2.603 -3.084 124 H LEU 16 HN LEU 16 44.598 4.120 -9.744 125 HA LEU 16 HA LEU 16 44.936 2.702 -11.473 126 HB2 LEU 16 HB2 LEU 16 46.040 0.893 -9.327 127 HB3 LEU 16 HB1 LEU 16 46.103 0.515 -11.038 128 HG LEU 16 HG LEU 16 47.236 2.997 -11.001 129 HD11 LEU 16 HD11 LEU 16 48.695 3.231 -9.171 130 HD12 LEU 16 HD12 LEU 16 48.347 1.607 -8.582 131 HD13 LEU 16 HD13 LEU 16 47.118 2.864 -8.472 132 HD21 LEU 16 HD21 LEU 16 48.613 0.334 -10.662 133 HD22 LEU 16 HD22 LEU 16 49.366 1.813 -11.258 134 HD23 LEU 16 HD23 LEU 16 48.077 1.043 -12.184 135 H GLY 17 HN GLY 17 42.497 2.369 -9.486 136 HA2 GLY 17 HA2 GLY 17 40.417 1.412 -10.013 137 HA3 GLY 17 HA1 GLY 17 41.226 0.296 -11.099 138 H ILE 18 HN ILE 18 42.534 0.661 -7.931 139 HA ILE 18 HA ILE 18 41.113 -1.705 -6.947 140 HB ILE 18 HB ILE 18 43.343 -2.551 -5.988 141 HG12 ILE 18 HG12 ILE 18 45.208 -2.071 -7.816 142 HG13 ILE 18 HG11 ILE 18 44.345 -0.551 -7.989 143 HG21 ILE 18 HG21 ILE 18 42.789 -2.746 -8.948 144 HG22 ILE 18 HG22 ILE 18 42.061 -3.732 -7.678 145 HG23 ILE 18 HG23 ILE 18 43.788 -3.866 -8.019 146 HD11 ILE 18 HD11 ILE 18 46.212 -0.339 -6.455 147 HD12 ILE 18 HD12 ILE 18 45.547 -1.622 -5.445 148 HD13 ILE 18 HD13 ILE 18 44.683 -0.094 -5.613 149 H CYS 19 HN CYS 19 41.271 -2.050 -4.647 150 HA CYS 19 HA CYS 19 41.860 0.417 -3.148 151 HB2 CYS 19 HB2 CYS 19 39.409 -0.131 -3.419 152 HB3 CYS 19 HB1 CYS 19 39.707 -1.583 -2.469 153 H VAL 20 HN VAL 20 43.186 0.242 -1.480 154 HA VAL 20 HA VAL 20 43.538 -2.254 -0.054 155 HB VAL 20 HB VAL 20 46.103 -2.014 -0.213 156 HG11 VAL 20 HG11 VAL 20 44.529 -2.987 -2.602 157 HG12 VAL 20 HG12 VAL 20 44.869 -3.903 -1.135 158 HG13 VAL 20 HG13 VAL 20 46.187 -3.445 -2.213 159 HG21 VAL 20 HG21 VAL 20 46.965 -1.120 -2.344 160 HG22 VAL 20 HG22 VAL 20 46.202 0.144 -1.376 161 HG23 VAL 20 HG23 VAL 20 45.348 -0.548 -2.756 162 HA PRO 21 HA PRO 21 44.238 0.614 3.299 163 HB2 PRO 21 HB2 PRO 21 45.871 -1.217 4.838 164 HB3 PRO 21 HB1 PRO 21 44.158 -0.822 5.060 165 HG2 PRO 21 HG2 PRO 21 45.045 -3.267 4.264 166 HG3 PRO 21 HG1 PRO 21 43.444 -2.613 3.863 167 HD2 PRO 21 HD2 PRO 21 45.912 -2.722 2.173 168 HD3 PRO 21 HD1 PRO 21 44.221 -3.032 1.729 169 H ASP 22 HN ASP 22 45.536 2.308 2.869 170 HA ASP 22 HA ASP 22 48.456 1.900 3.002 171 HB2 ASP 22 HB2 ASP 22 46.831 3.780 1.296 172 HB3 ASP 22 HB1 ASP 22 48.558 4.004 1.556 173 H ASP 23 HN ASP 23 46.046 2.984 4.856 174 HA ASP 23 HA ASP 23 47.521 5.319 5.877 175 HB2 ASP 23 HB2 ASP 23 44.591 4.610 6.041 176 HB3 ASP 23 HB1 ASP 23 45.321 5.883 7.013 177 H ASP 24 HN ASP 24 45.945 2.296 6.790 178 HA ASP 24 HA ASP 24 46.758 2.600 9.576 179 HB2 ASP 24 HB2 ASP 24 44.487 1.634 8.679 180 HB3 ASP 24 HB1 ASP 24 45.411 0.146 8.498 181 H TYR 25 HN TYR 25 47.384 0.467 6.802 182 HA TYR 25 HA TYR 25 49.792 -0.514 8.189 183 HB2 TYR 25 HB2 TYR 25 47.787 -2.159 7.832 184 HB3 TYR 25 HB1 TYR 25 48.352 -2.202 6.165 185 HD1 TYR 25 HD1 TYR 25 49.123 -3.119 9.628 186 HD2 TYR 25 HD2 TYR 25 50.457 -3.267 5.592 187 HE1 TYR 25 HE1 TYR 25 50.790 -4.820 10.247 188 HE2 TYR 25 HE2 TYR 25 52.125 -4.968 6.197 189 HH TYR 25 HH TYR 25 53.331 -5.739 8.186 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 23.698 -7.950 -6.572 2 H2 PHE 1 HT2 PHE 1 24.849 -8.615 -7.619 3 H3 PHE 1 HT3 PHE 1 24.032 -7.198 -8.050 4 HA PHE 1 HA PHE 1 25.063 -5.993 -6.258 5 HB2 PHE 1 HB2 PHE 1 26.393 -8.657 -5.723 6 HB3 PHE 1 HB1 PHE 1 26.969 -7.137 -5.050 7 HD1 PHE 1 HD1 PHE 1 24.345 -9.676 -4.942 8 HD2 PHE 1 HD2 PHE 1 25.730 -5.996 -3.311 9 HE1 PHE 1 HE1 PHE 1 22.782 -9.927 -3.059 10 HE2 PHE 1 HE2 PHE 1 24.169 -6.241 -1.425 11 HZ PHE 1 HZ PHE 1 22.693 -8.208 -1.296 12 H GLY 2 HN GLY 2 26.784 -4.737 -6.810 13 HA2 GLY 2 HA2 GLY 2 28.942 -5.672 -8.456 14 HA3 GLY 2 HA1 GLY 2 27.782 -4.708 -9.358 15 H VAL 3 HN VAL 3 30.641 -4.551 -7.833 16 HA VAL 3 HA VAL 3 30.433 -1.666 -7.471 17 HB VAL 3 HB VAL 3 31.904 -1.845 -5.378 18 HG11 VAL 3 HG11 VAL 3 29.620 -1.043 -5.329 19 HG12 VAL 3 HG12 VAL 3 29.953 -2.032 -3.907 20 HG13 VAL 3 HG13 VAL 3 29.017 -2.698 -5.245 21 HG21 VAL 3 HG21 VAL 3 32.439 -4.229 -5.481 22 HG22 VAL 3 HG22 VAL 3 30.731 -4.633 -5.313 23 HG23 VAL 3 HG23 VAL 3 31.585 -3.847 -3.986 24 H LYS 4 HN LYS 4 31.851 -0.845 -8.803 25 HA LYS 4 HA LYS 4 34.522 -2.067 -8.996 26 HB2 LYS 4 HB2 LYS 4 34.589 -1.241 -11.380 27 HB3 LYS 4 HB1 LYS 4 33.488 -2.571 -11.072 28 HG2 LYS 4 HG2 LYS 4 31.601 -0.994 -11.062 29 HG3 LYS 4 HG1 LYS 4 32.720 0.331 -11.393 30 HD2 LYS 4 HD2 LYS 4 33.357 -0.733 -13.501 31 HD3 LYS 4 HD1 LYS 4 32.252 -2.067 -13.166 32 HE2 LYS 4 HE2 LYS 4 30.368 -0.503 -13.180 33 HE3 LYS 4 HE1 LYS 4 31.475 0.826 -13.522 34 HZ1 LYS 4 HZ1 LYS 4 32.060 -0.246 -15.608 35 HZ2 LYS 4 HZ2 LYS 4 30.395 0.040 -15.531 36 HZ3 LYS 4 HZ3 LYS 4 30.996 -1.520 -15.280 37 H ASP 5 HN ASP 5 32.630 0.892 -9.015 38 HA ASP 5 HA ASP 5 35.047 2.534 -8.992 39 HB2 ASP 5 HB2 ASP 5 33.428 4.464 -9.105 40 HB3 ASP 5 HB1 ASP 5 33.385 3.372 -10.483 41 H GLY 6 HN GLY 6 32.875 1.142 -6.784 42 HA2 GLY 6 HA2 GLY 6 33.922 2.868 -4.632 43 HA3 GLY 6 HA1 GLY 6 32.219 2.440 -4.691 44 H LYS 7 HN LYS 7 35.472 1.117 -4.413 45 HA LYS 7 HA LYS 7 34.480 -1.414 -3.385 46 HB2 LYS 7 HB2 LYS 7 37.182 -0.372 -4.167 47 HB3 LYS 7 HB1 LYS 7 37.035 -1.837 -3.215 48 HG2 LYS 7 HG2 LYS 7 35.664 -2.844 -4.971 49 HG3 LYS 7 HG1 LYS 7 35.823 -1.371 -5.928 50 HD2 LYS 7 HD2 LYS 7 38.248 -1.685 -6.013 51 HD3 LYS 7 HD1 LYS 7 38.095 -3.151 -5.044 52 HE2 LYS 7 HE2 LYS 7 36.716 -2.787 -7.695 53 HE3 LYS 7 HE1 LYS 7 38.333 -3.472 -7.546 54 HZ1 LYS 7 HZ1 LYS 7 36.650 -5.199 -7.649 55 HZ2 LYS 7 HZ2 LYS 7 35.871 -4.563 -6.289 56 HZ3 LYS 7 HZ3 LYS 7 37.423 -5.221 -6.144 57 H CYS 8 HN CYS 8 36.379 1.366 -2.252 58 HA CYS 8 HA CYS 8 36.131 0.352 0.498 59 HB2 CYS 8 HB2 CYS 8 38.022 2.028 0.948 60 HB3 CYS 8 HB1 CYS 8 38.427 0.550 0.081 61 HA PRO 9 HA PRO 9 33.470 4.003 0.837 62 HB2 PRO 9 HB2 PRO 9 31.993 3.159 2.946 63 HB3 PRO 9 HB1 PRO 9 31.730 2.554 1.301 64 HG2 PRO 9 HG2 PRO 9 33.001 1.224 3.611 65 HG3 PRO 9 HG1 PRO 9 32.110 0.525 2.248 66 HD2 PRO 9 HD2 PRO 9 34.915 0.630 2.546 67 HD3 PRO 9 HD1 PRO 9 34.019 0.174 1.087 68 H SER 10 HN SER 10 35.305 5.296 1.439 69 HA SER 10 HA SER 10 36.526 6.685 2.737 70 HB2 SER 10 HB2 SER 10 34.220 6.345 4.673 71 HB3 SER 10 HB1 SER 10 35.457 7.596 4.780 72 HG SER 10 HG SER 10 34.544 8.649 3.184 73 H GLY 11 HN GLY 11 38.372 5.654 3.161 74 HA2 GLY 11 HA2 GLY 11 39.286 5.133 5.664 75 HA3 GLY 11 HA1 GLY 11 38.587 3.597 5.176 76 H ARG 12 HN ARG 12 39.270 3.098 2.737 77 HA ARG 12 HA ARG 12 42.194 3.033 2.774 78 HB2 ARG 12 HB2 ARG 12 40.110 1.433 1.302 79 HB3 ARG 12 HB1 ARG 12 41.800 1.359 0.856 80 HG2 ARG 12 HG2 ARG 12 41.643 -0.446 2.254 81 HG3 ARG 12 HG1 ARG 12 42.126 0.804 3.400 82 HD2 ARG 12 HD2 ARG 12 40.361 -0.302 4.461 83 HD3 ARG 12 HD1 ARG 12 39.628 1.154 3.793 84 HE ARG 12 HE ARG 12 39.333 -0.851 1.894 85 HH11 ARG 12 HH11 ARG 12 36.733 -1.127 4.943 86 HH12 ARG 12 HH12 ARG 12 38.197 -0.226 5.158 87 HH21 ARG 12 HH21 ARG 12 36.288 -2.142 2.950 88 HH22 ARG 12 HH22 ARG 12 37.410 -2.023 1.635 89 H VAL 13 HN VAL 13 43.400 3.361 0.791 90 HA VAL 13 HA VAL 13 42.384 5.643 -0.704 91 HB VAL 13 HB VAL 13 44.662 5.694 0.327 92 HG11 VAL 13 HG11 VAL 13 45.417 3.437 -0.037 93 HG12 VAL 13 HG12 VAL 13 46.532 4.559 -0.815 94 HG13 VAL 13 HG13 VAL 13 45.364 3.662 -1.786 95 HG21 VAL 13 HG21 VAL 13 44.121 7.238 -1.456 96 HG22 VAL 13 HG22 VAL 13 44.591 6.045 -2.667 97 HG23 VAL 13 HG23 VAL 13 45.805 6.729 -1.587 98 H ARG 14 HN ARG 14 42.010 5.691 -2.886 99 HA ARG 14 HA ARG 14 41.887 3.087 -4.226 100 HB2 ARG 14 HB2 ARG 14 39.864 4.703 -3.985 101 HB3 ARG 14 HB1 ARG 14 40.631 5.602 -5.287 102 HG2 ARG 14 HG2 ARG 14 40.513 3.657 -6.737 103 HG3 ARG 14 HG1 ARG 14 39.821 2.701 -5.426 104 HD2 ARG 14 HD2 ARG 14 38.023 3.356 -6.813 105 HD3 ARG 14 HD1 ARG 14 37.930 4.355 -5.366 106 HE ARG 14 HE ARG 14 39.372 5.572 -7.542 107 HH11 ARG 14 HH11 ARG 14 35.543 6.573 -6.859 108 HH12 ARG 14 HH12 ARG 14 36.191 5.148 -6.118 109 HH21 ARG 14 HH21 ARG 14 38.503 7.433 -8.501 110 HH22 ARG 14 HH22 ARG 14 36.852 7.866 -8.208 111 H ARG 15 HN ARG 15 42.897 2.654 -6.086 112 HA ARG 15 HA ARG 15 44.290 4.666 -7.627 113 HB2 ARG 15 HB2 ARG 15 45.774 2.618 -5.985 114 HB3 ARG 15 HB1 ARG 15 46.462 3.251 -7.473 115 HG2 ARG 15 HG2 ARG 15 46.359 5.515 -6.561 116 HG3 ARG 15 HG1 ARG 15 45.658 4.882 -5.070 117 HD2 ARG 15 HD2 ARG 15 47.677 3.557 -4.685 118 HD3 ARG 15 HD1 ARG 15 48.376 4.184 -6.178 119 HE ARG 15 HE ARG 15 47.691 6.371 -4.601 120 HH11 ARG 15 HH11 ARG 15 51.097 4.559 -3.477 121 HH12 ARG 15 HH12 ARG 15 49.949 3.684 -4.433 122 HH21 ARG 15 HH21 ARG 15 49.208 7.496 -3.348 123 HH22 ARG 15 HH22 ARG 15 50.677 6.716 -2.864 124 H LEU 16 HN LEU 16 43.733 4.142 -9.648 125 HA LEU 16 HA LEU 16 43.325 3.022 -11.569 126 HB2 LEU 16 HB2 LEU 16 45.019 0.889 -10.273 127 HB3 LEU 16 HB1 LEU 16 44.436 0.789 -11.921 128 HG LEU 16 HG LEU 16 45.646 3.131 -12.144 129 HD11 LEU 16 HD11 LEU 16 47.148 1.809 -9.889 130 HD12 LEU 16 HD12 LEU 16 46.269 3.335 -9.806 131 HD13 LEU 16 HD13 LEU 16 47.708 3.200 -10.817 132 HD21 LEU 16 HD21 LEU 16 46.171 1.156 -13.455 133 HD22 LEU 16 HD22 LEU 16 47.085 0.482 -12.107 134 HD23 LEU 16 HD23 LEU 16 47.652 1.945 -12.912 135 H GLY 17 HN GLY 17 41.855 2.250 -8.807 136 HA2 GLY 17 HA2 GLY 17 39.538 1.494 -8.993 137 HA3 GLY 17 HA1 GLY 17 40.098 0.270 -10.117 138 H ILE 18 HN ILE 18 42.367 0.462 -7.700 139 HA ILE 18 HA ILE 18 41.015 -1.618 -6.102 140 HB ILE 18 HB ILE 18 43.321 -2.588 -5.658 141 HG12 ILE 18 HG12 ILE 18 44.272 -1.557 -8.278 142 HG13 ILE 18 HG11 ILE 18 44.324 -0.412 -6.942 143 HG21 ILE 18 HG21 ILE 18 41.665 -3.691 -7.061 144 HG22 ILE 18 HG22 ILE 18 43.282 -3.924 -7.731 145 HG23 ILE 18 HG23 ILE 18 42.187 -2.745 -8.455 146 HD11 ILE 18 HD11 ILE 18 45.636 -3.121 -6.998 147 HD12 ILE 18 HD12 ILE 18 45.683 -1.981 -5.654 148 HD13 ILE 18 HD13 ILE 18 46.442 -1.565 -7.191 149 H CYS 19 HN CYS 19 40.873 -1.302 -4.002 150 HA CYS 19 HA CYS 19 42.129 1.039 -2.809 151 HB2 CYS 19 HB2 CYS 19 40.055 -0.882 -1.731 152 HB3 CYS 19 HB1 CYS 19 40.617 0.562 -0.900 153 H VAL 20 HN VAL 20 43.388 0.998 -0.929 154 HA VAL 20 HA VAL 20 44.272 -1.531 0.175 155 HB VAL 20 HB VAL 20 46.739 -0.814 -0.078 156 HG11 VAL 20 HG11 VAL 20 45.200 -1.837 -2.468 157 HG12 VAL 20 HG12 VAL 20 45.799 -2.805 -1.121 158 HG13 VAL 20 HG13 VAL 20 46.936 -2.017 -2.216 159 HG21 VAL 20 HG21 VAL 20 47.282 0.412 -2.149 160 HG22 VAL 20 HG22 VAL 20 46.376 1.422 -1.020 161 HG23 VAL 20 HG23 VAL 20 45.565 0.716 -2.417 162 HA PRO 21 HA PRO 21 44.343 1.320 3.693 163 HB2 PRO 21 HB2 PRO 21 45.318 -0.870 5.351 164 HB3 PRO 21 HB1 PRO 21 43.733 -0.078 5.384 165 HG2 PRO 21 HG2 PRO 21 44.077 -2.631 4.577 166 HG3 PRO 21 HG1 PRO 21 42.792 -1.576 3.954 167 HD2 PRO 21 HD2 PRO 21 45.399 -2.319 2.688 168 HD3 PRO 21 HD1 PRO 21 43.787 -2.159 1.960 169 H ASP 22 HN ASP 22 45.843 2.365 5.017 170 HA ASP 22 HA ASP 22 48.660 1.584 4.696 171 HB2 ASP 22 HB2 ASP 22 47.470 4.342 4.361 172 HB3 ASP 22 HB1 ASP 22 49.190 4.068 4.615 173 H ASP 23 HN ASP 23 49.386 1.055 6.657 174 HA ASP 23 HA ASP 23 48.666 2.769 8.941 175 HB2 ASP 23 HB2 ASP 23 47.645 0.359 8.809 176 HB3 ASP 23 HB1 ASP 23 49.251 -0.153 9.312 177 H ASP 24 HN ASP 24 51.061 0.452 7.667 178 HA ASP 24 HA ASP 24 53.114 1.584 9.408 179 HB2 ASP 24 HB2 ASP 24 52.924 -0.925 7.763 180 HB3 ASP 24 HB1 ASP 24 54.467 -0.357 8.382 181 H TYR 25 HN TYR 25 52.490 0.945 5.963 182 HA TYR 25 HA TYR 25 54.365 3.096 5.286 183 HB2 TYR 25 HB2 TYR 25 55.084 1.743 3.267 184 HB3 TYR 25 HB1 TYR 25 55.663 1.156 4.818 185 HD1 TYR 25 HD1 TYR 25 54.655 -0.899 5.810 186 HD2 TYR 25 HD2 TYR 25 53.672 0.408 1.881 187 HE1 TYR 25 HE1 TYR 25 53.758 -3.130 5.299 188 HE2 TYR 25 HE2 TYR 25 52.770 -1.820 1.360 189 HH TYR 25 HH TYR 25 52.162 -4.160 3.740 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 30.403 8.829 -4.332 2 H2 PHE 1 HT2 PHE 1 31.068 8.498 -5.851 3 H3 PHE 1 HT3 PHE 1 30.531 7.228 -4.872 4 HA PHE 1 HA PHE 1 28.822 9.337 -6.053 5 HB2 PHE 1 HB2 PHE 1 29.247 6.440 -6.802 6 HB3 PHE 1 HB1 PHE 1 27.883 7.394 -7.373 7 HD1 PHE 1 HD1 PHE 1 28.193 9.155 -9.003 8 HD2 PHE 1 HD2 PHE 1 31.488 6.846 -7.615 9 HE1 PHE 1 HE1 PHE 1 29.559 9.985 -10.874 10 HE2 PHE 1 HE2 PHE 1 32.859 7.671 -9.483 11 HZ PHE 1 HZ PHE 1 31.894 9.243 -11.115 12 H GLY 2 HN GLY 2 29.023 6.345 -4.157 13 HA2 GLY 2 HA2 GLY 2 26.810 7.144 -2.506 14 HA3 GLY 2 HA1 GLY 2 26.403 5.815 -3.583 15 H VAL 3 HN VAL 3 26.453 5.785 -0.708 16 HA VAL 3 HA VAL 3 28.280 3.540 -0.333 17 HB VAL 3 HB VAL 3 28.809 4.394 2.023 18 HG11 VAL 3 HG11 VAL 3 30.476 4.238 0.272 19 HG12 VAL 3 HG12 VAL 3 30.732 5.694 1.234 20 HG13 VAL 3 HG13 VAL 3 29.989 5.810 -0.362 21 HG21 VAL 3 HG21 VAL 3 28.027 7.042 0.788 22 HG22 VAL 3 HG22 VAL 3 28.869 6.833 2.322 23 HG23 VAL 3 HG23 VAL 3 27.217 6.245 2.138 24 H LYS 4 HN LYS 4 27.017 1.902 0.149 25 HA LYS 4 HA LYS 4 24.544 2.306 1.640 26 HB2 LYS 4 HB2 LYS 4 25.635 0.080 -0.051 27 HB3 LYS 4 HB1 LYS 4 24.289 -0.203 1.039 28 HG2 LYS 4 HG2 LYS 4 22.997 1.530 -0.098 29 HG3 LYS 4 HG1 LYS 4 24.353 1.819 -1.190 30 HD2 LYS 4 HD2 LYS 4 24.187 -0.486 -2.001 31 HD3 LYS 4 HD1 LYS 4 22.832 -0.772 -0.908 32 HE2 LYS 4 HE2 LYS 4 21.541 0.959 -2.058 33 HE3 LYS 4 HE1 LYS 4 22.896 1.246 -3.150 34 HZ1 LYS 4 HZ1 LYS 4 22.684 -1.023 -3.950 35 HZ2 LYS 4 HZ2 LYS 4 21.233 -0.180 -4.162 36 HZ3 LYS 4 HZ3 LYS 4 21.384 -1.299 -2.903 37 H ASP 5 HN ASP 5 27.558 0.440 1.826 38 HA ASP 5 HA ASP 5 26.957 -0.118 4.654 39 HB2 ASP 5 HB2 ASP 5 28.416 -2.163 4.408 40 HB3 ASP 5 HB1 ASP 5 26.892 -2.225 3.536 41 H GLY 6 HN GLY 6 29.596 0.413 2.324 42 HA2 GLY 6 HA2 GLY 6 31.352 1.970 2.656 43 HA3 GLY 6 HA1 GLY 6 31.055 1.899 4.387 44 H LYS 7 HN LYS 7 32.509 0.262 1.650 45 HA LYS 7 HA LYS 7 34.000 -1.493 3.479 46 HB2 LYS 7 HB2 LYS 7 32.582 -2.318 1.403 47 HB3 LYS 7 HB1 LYS 7 34.029 -1.876 0.512 48 HG2 LYS 7 HG2 LYS 7 35.350 -3.396 1.906 49 HG3 LYS 7 HG1 LYS 7 33.888 -3.844 2.789 50 HD2 LYS 7 HD2 LYS 7 32.904 -4.705 0.721 51 HD3 LYS 7 HD1 LYS 7 34.359 -4.246 -0.165 52 HE2 LYS 7 HE2 LYS 7 35.677 -5.779 1.217 53 HE3 LYS 7 HE1 LYS 7 34.221 -6.236 2.098 54 HZ1 LYS 7 HZ1 LYS 7 34.765 -7.853 0.392 55 HZ2 LYS 7 HZ2 LYS 7 34.688 -6.660 -0.805 56 HZ3 LYS 7 HZ3 LYS 7 33.291 -7.099 0.041 57 H CYS 8 HN CYS 8 34.443 0.556 0.589 58 HA CYS 8 HA CYS 8 37.238 0.949 1.389 59 HB2 CYS 8 HB2 CYS 8 36.036 0.395 -1.264 60 HB3 CYS 8 HB1 CYS 8 37.362 1.544 -1.211 61 HA PRO 9 HA PRO 9 35.655 5.247 -0.275 62 HB2 PRO 9 HB2 PRO 9 32.724 5.144 -0.169 63 HB3 PRO 9 HB1 PRO 9 33.776 5.609 -1.516 64 HG2 PRO 9 HG2 PRO 9 32.334 3.358 -1.567 65 HG3 PRO 9 HG1 PRO 9 33.939 3.473 -2.318 66 HD2 PRO 9 HD2 PRO 9 33.186 2.291 0.332 67 HD3 PRO 9 HD1 PRO 9 34.258 1.642 -0.924 68 H SER 10 HN SER 10 35.664 3.935 2.437 69 HA SER 10 HA SER 10 34.181 5.973 3.962 70 HB2 SER 10 HB2 SER 10 33.584 3.572 4.405 71 HB3 SER 10 HB1 SER 10 35.229 3.325 4.990 72 HG SER 10 HG SER 10 33.164 4.212 6.352 73 H GLY 11 HN GLY 11 37.271 4.273 3.683 74 HA2 GLY 11 HA2 GLY 11 38.786 6.574 4.425 75 HA3 GLY 11 HA1 GLY 11 38.728 5.406 5.738 76 H ARG 12 HN ARG 12 38.844 4.825 2.251 77 HA ARG 12 HA ARG 12 41.436 3.461 2.595 78 HB2 ARG 12 HB2 ARG 12 38.922 2.473 1.631 79 HB3 ARG 12 HB1 ARG 12 40.080 2.444 0.315 80 HG2 ARG 12 HG2 ARG 12 40.352 0.358 1.227 81 HG3 ARG 12 HG1 ARG 12 41.624 1.266 2.044 82 HD2 ARG 12 HD2 ARG 12 38.883 0.824 3.223 83 HD3 ARG 12 HD1 ARG 12 40.243 -0.261 3.505 84 HE ARG 12 HE ARG 12 41.039 2.351 4.138 85 HH11 ARG 12 HH11 ARG 12 38.981 0.445 7.015 86 HH12 ARG 12 HH12 ARG 12 38.864 -0.114 5.379 87 HH21 ARG 12 HH21 ARG 12 40.287 2.241 7.527 88 HH22 ARG 12 HH22 ARG 12 41.175 3.063 6.288 89 H VAL 13 HN VAL 13 42.809 3.402 0.697 90 HA VAL 13 HA VAL 13 42.592 5.850 -0.887 91 HB VAL 13 HB VAL 13 44.967 5.249 -1.628 92 HG11 VAL 13 HG11 VAL 13 44.500 7.010 -0.034 93 HG12 VAL 13 HG12 VAL 13 45.959 6.138 0.431 94 HG13 VAL 13 HG13 VAL 13 44.444 5.837 1.280 95 HG21 VAL 13 HG21 VAL 13 44.831 3.374 0.740 96 HG22 VAL 13 HG22 VAL 13 46.267 3.763 -0.208 97 HG23 VAL 13 HG23 VAL 13 44.934 2.874 -0.948 98 H ARG 14 HN ARG 14 41.462 5.647 -2.693 99 HA ARG 14 HA ARG 14 41.517 3.139 -4.188 100 HB2 ARG 14 HB2 ARG 14 39.419 4.664 -3.529 101 HB3 ARG 14 HB1 ARG 14 39.824 5.433 -5.053 102 HG2 ARG 14 HG2 ARG 14 39.511 2.462 -4.939 103 HG3 ARG 14 HG1 ARG 14 38.085 3.496 -4.979 104 HD2 ARG 14 HD2 ARG 14 40.311 3.739 -6.987 105 HD3 ARG 14 HD1 ARG 14 38.955 2.636 -7.209 106 HE ARG 14 HE ARG 14 38.371 5.462 -6.731 107 HH11 ARG 14 HH11 ARG 14 37.477 3.600 -10.177 108 HH12 ARG 14 HH12 ARG 14 38.468 2.790 -9.011 109 HH21 ARG 14 HH21 ARG 14 37.072 6.500 -8.269 110 HH22 ARG 14 HH22 ARG 14 36.686 5.698 -9.756 111 H ARG 15 HN ARG 15 43.063 2.929 -5.626 112 HA ARG 15 HA ARG 15 43.552 5.073 -7.560 113 HB2 ARG 15 HB2 ARG 15 45.662 3.676 -5.917 114 HB3 ARG 15 HB1 ARG 15 46.037 4.471 -7.438 115 HG2 ARG 15 HG2 ARG 15 45.223 6.593 -6.528 116 HG3 ARG 15 HG1 ARG 15 44.868 5.790 -4.996 117 HD2 ARG 15 HD2 ARG 15 47.234 5.226 -4.744 118 HD3 ARG 15 HD1 ARG 15 47.588 6.021 -6.278 119 HE ARG 15 HE ARG 15 46.286 7.824 -4.540 120 HH11 ARG 15 HH11 ARG 15 50.278 7.552 -4.177 121 HH12 ARG 15 HH12 ARG 15 49.410 6.277 -4.964 122 HH21 ARG 15 HH21 ARG 15 47.442 9.481 -3.511 123 HH22 ARG 15 HH22 ARG 15 49.163 9.364 -3.355 124 H LEU 16 HN LEU 16 43.521 4.330 -9.594 125 HA LEU 16 HA LEU 16 43.483 2.992 -11.412 126 HB2 LEU 16 HB2 LEU 16 45.361 1.351 -9.726 127 HB3 LEU 16 HB1 LEU 16 44.920 0.882 -11.355 128 HG LEU 16 HG LEU 16 45.756 3.292 -11.972 129 HD11 LEU 16 HD11 LEU 16 46.105 4.108 -9.727 130 HD12 LEU 16 HD12 LEU 16 47.656 3.989 -10.558 131 HD13 LEU 16 HD13 LEU 16 47.194 2.767 -9.374 132 HD21 LEU 16 HD21 LEU 16 47.620 1.028 -11.273 133 HD22 LEU 16 HD22 LEU 16 48.005 2.381 -12.335 134 HD23 LEU 16 HD23 LEU 16 46.745 1.234 -12.791 135 H GLY 17 HN GLY 17 41.746 2.358 -8.843 136 HA2 GLY 17 HA2 GLY 17 39.687 1.209 -8.871 137 HA3 GLY 17 HA1 GLY 17 40.306 0.171 -10.144 138 H ILE 18 HN ILE 18 42.392 0.629 -7.453 139 HA ILE 18 HA ILE 18 41.480 -1.883 -6.227 140 HB ILE 18 HB ILE 18 43.411 -2.325 -7.737 141 HG12 ILE 18 HG12 ILE 18 44.911 -3.351 -5.810 142 HG13 ILE 18 HG11 ILE 18 43.550 -2.875 -4.802 143 HG21 ILE 18 HG21 ILE 18 44.990 -0.593 -5.832 144 HG22 ILE 18 HG22 ILE 18 44.641 -0.236 -7.522 145 HG23 ILE 18 HG23 ILE 18 45.677 -1.602 -7.105 146 HD11 ILE 18 HD11 ILE 18 43.365 -5.192 -5.499 147 HD12 ILE 18 HD12 ILE 18 43.426 -4.701 -7.193 148 HD13 ILE 18 HD13 ILE 18 42.058 -4.227 -6.187 149 H CYS 19 HN CYS 19 41.653 -2.049 -4.027 150 HA CYS 19 HA CYS 19 42.191 0.435 -2.579 151 HB2 CYS 19 HB2 CYS 19 40.765 -2.110 -1.799 152 HB3 CYS 19 HB1 CYS 19 41.096 -0.808 -0.665 153 H VAL 20 HN VAL 20 43.846 0.688 -1.201 154 HA VAL 20 HA VAL 20 45.668 -1.587 -0.816 155 HB VAL 20 HB VAL 20 46.412 1.273 -0.206 156 HG11 VAL 20 HG11 VAL 20 48.694 0.467 -0.674 157 HG12 VAL 20 HG12 VAL 20 48.049 -1.137 -1.024 158 HG13 VAL 20 HG13 VAL 20 47.923 -0.472 0.604 159 HG21 VAL 20 HG21 VAL 20 45.611 1.279 -2.526 160 HG22 VAL 20 HG22 VAL 20 46.677 -0.074 -2.905 161 HG23 VAL 20 HG23 VAL 20 47.363 1.491 -2.464 162 HA PRO 21 HA PRO 21 44.332 -1.575 3.504 163 HB2 PRO 21 HB2 PRO 21 46.633 -3.257 4.151 164 HB3 PRO 21 HB1 PRO 21 44.913 -3.678 4.157 165 HG2 PRO 21 HG2 PRO 21 46.640 -4.695 2.365 166 HG3 PRO 21 HG1 PRO 21 44.930 -4.396 1.995 167 HD2 PRO 21 HD2 PRO 21 47.328 -2.756 1.273 168 HD3 PRO 21 HD1 PRO 21 45.905 -3.175 0.298 169 H ASP 22 HN ASP 22 44.838 -0.540 5.387 170 HA ASP 22 HA ASP 22 47.426 0.864 5.470 171 HB2 ASP 22 HB2 ASP 22 44.710 1.683 6.508 172 HB3 ASP 22 HB1 ASP 22 46.195 2.512 6.963 173 H ASP 23 HN ASP 23 44.934 -0.581 7.584 174 HA ASP 23 HA ASP 23 47.063 -1.480 9.389 175 HB2 ASP 23 HB2 ASP 23 44.605 0.069 10.229 176 HB3 ASP 23 HB1 ASP 23 45.570 -0.880 11.355 177 H ASP 24 HN ASP 24 43.546 -1.630 8.763 178 HA ASP 24 HA ASP 24 43.645 -4.515 9.317 179 HB2 ASP 24 HB2 ASP 24 41.698 -2.413 10.137 180 HB3 ASP 24 HB1 ASP 24 41.088 -4.025 9.803 181 H TYR 25 HN TYR 25 42.020 -1.962 7.451 182 HA TYR 25 HA TYR 25 41.474 -3.940 5.340 183 HB2 TYR 25 HB2 TYR 25 39.653 -1.747 6.342 184 HB3 TYR 25 HB1 TYR 25 39.407 -2.574 4.807 185 HD1 TYR 25 HD1 TYR 25 38.655 -4.886 4.745 186 HD2 TYR 25 HD2 TYR 25 39.258 -2.888 8.452 187 HE1 TYR 25 HE1 TYR 25 37.406 -6.662 5.899 188 HE2 TYR 25 HE2 TYR 25 38.011 -4.658 9.616 189 HH TYR 25 HH TYR 25 37.224 -7.617 8.156 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 26.020 -3.801 2.191 2 H2 PHE 1 HT2 PHE 1 26.623 -4.606 3.549 3 H3 PHE 1 HT3 PHE 1 27.545 -4.533 2.133 4 HA PHE 1 HA PHE 1 26.784 -2.218 3.816 5 HB2 PHE 1 HB2 PHE 1 29.398 -3.708 3.504 6 HB3 PHE 1 HB1 PHE 1 29.269 -2.123 4.256 7 HD1 PHE 1 HD1 PHE 1 28.561 -5.690 4.609 8 HD2 PHE 1 HD2 PHE 1 28.249 -1.858 6.436 9 HE1 PHE 1 HE1 PHE 1 28.059 -6.763 6.765 10 HE2 PHE 1 HE2 PHE 1 27.748 -2.924 8.594 11 HZ PHE 1 HZ PHE 1 27.653 -5.380 8.762 12 H GLY 2 HN GLY 2 27.315 -0.226 3.043 13 HA2 GLY 2 HA2 GLY 2 28.465 1.281 1.597 14 HA3 GLY 2 HA1 GLY 2 28.721 -0.040 0.468 15 H VAL 3 HN VAL 3 27.604 0.155 -1.334 16 HA VAL 3 HA VAL 3 24.836 1.111 -1.212 17 HB VAL 3 HB VAL 3 25.240 2.340 -3.422 18 HG11 VAL 3 HG11 VAL 3 24.726 3.478 -1.350 19 HG12 VAL 3 HG12 VAL 3 25.926 4.390 -2.263 20 HG13 VAL 3 HG13 VAL 3 26.422 3.425 -0.873 21 HG21 VAL 3 HG21 VAL 3 27.423 1.644 -4.063 22 HG22 VAL 3 HG22 VAL 3 28.098 2.080 -2.491 23 HG23 VAL 3 HG23 VAL 3 27.556 3.341 -3.599 24 H LYS 4 HN LYS 4 27.327 -0.479 -3.177 25 HA LYS 4 HA LYS 4 25.213 -2.047 -4.482 26 HB2 LYS 4 HB2 LYS 4 27.752 -0.868 -5.517 27 HB3 LYS 4 HB1 LYS 4 27.179 -2.370 -6.214 28 HG2 LYS 4 HG2 LYS 4 25.057 -1.299 -6.787 29 HG3 LYS 4 HG1 LYS 4 25.636 0.211 -6.082 30 HD2 LYS 4 HD2 LYS 4 27.449 0.286 -7.719 31 HD3 LYS 4 HD1 LYS 4 26.893 -1.238 -8.414 32 HE2 LYS 4 HE2 LYS 4 26.049 0.460 -9.821 33 HE3 LYS 4 HE1 LYS 4 24.684 -0.084 -8.846 34 HZ1 LYS 4 HZ1 LYS 4 26.309 2.351 -8.337 35 HZ2 LYS 4 HZ2 LYS 4 25.000 1.831 -7.401 36 HZ3 LYS 4 HZ3 LYS 4 24.754 2.323 -9.001 37 H ASP 5 HN ASP 5 28.598 -2.155 -3.362 38 HA ASP 5 HA ASP 5 28.204 -4.962 -2.599 39 HB2 ASP 5 HB2 ASP 5 29.528 -4.562 -4.829 40 HB3 ASP 5 HB1 ASP 5 30.842 -4.098 -3.752 41 H GLY 6 HN GLY 6 30.416 -2.162 -2.366 42 HA2 GLY 6 HA2 GLY 6 31.123 -1.111 -0.391 43 HA3 GLY 6 HA1 GLY 6 30.511 -2.475 0.531 44 H LYS 7 HN LYS 7 33.185 -1.251 -1.370 45 HA LYS 7 HA LYS 7 34.861 -3.502 -0.501 46 HB2 LYS 7 HB2 LYS 7 34.626 -2.585 -2.988 47 HB3 LYS 7 HB1 LYS 7 35.858 -1.460 -2.437 48 HG2 LYS 7 HG2 LYS 7 37.337 -3.291 -1.884 49 HG3 LYS 7 HG1 LYS 7 36.089 -4.461 -2.313 50 HD2 LYS 7 HD2 LYS 7 36.124 -3.620 -4.625 51 HD3 LYS 7 HD1 LYS 7 37.405 -2.491 -4.183 52 HE2 LYS 7 HE2 LYS 7 38.869 -4.349 -3.612 53 HE3 LYS 7 HE1 LYS 7 37.584 -5.496 -3.992 54 HZ1 LYS 7 HZ1 LYS 7 38.865 -3.632 -5.918 55 HZ2 LYS 7 HZ2 LYS 7 37.629 -4.728 -6.284 56 HZ3 LYS 7 HZ3 LYS 7 39.151 -5.298 -5.813 57 H CYS 8 HN CYS 8 35.000 0.065 -0.804 58 HA CYS 8 HA CYS 8 37.114 0.173 1.187 59 HB2 CYS 8 HB2 CYS 8 35.981 2.624 -0.078 60 HB3 CYS 8 HB1 CYS 8 37.636 2.253 0.361 61 HA PRO 9 HA PRO 9 33.905 1.194 4.229 62 HB2 PRO 9 HB2 PRO 9 35.931 1.438 6.278 63 HB3 PRO 9 HB1 PRO 9 34.788 0.110 6.019 64 HG2 PRO 9 HG2 PRO 9 37.485 -0.117 5.690 65 HG3 PRO 9 HG1 PRO 9 36.286 -1.138 4.872 66 HD2 PRO 9 HD2 PRO 9 37.784 1.226 3.819 67 HD3 PRO 9 HD1 PRO 9 37.378 -0.309 3.024 68 H SER 10 HN SER 10 34.998 3.375 2.627 69 HA SER 10 HA SER 10 35.037 5.632 2.537 70 HB2 SER 10 HB2 SER 10 33.775 5.494 5.290 71 HB3 SER 10 HB1 SER 10 33.889 6.946 4.297 72 HG SER 10 HG SER 10 32.636 5.836 2.713 73 H GLY 11 HN GLY 11 37.036 6.285 2.410 74 HA2 GLY 11 HA2 GLY 11 38.713 7.744 3.372 75 HA3 GLY 11 HA1 GLY 11 38.494 6.905 4.903 76 H ARG 12 HN ARG 12 39.000 5.741 1.594 77 HA ARG 12 HA ARG 12 41.408 4.305 2.495 78 HB2 ARG 12 HB2 ARG 12 39.130 3.061 1.906 79 HB3 ARG 12 HB1 ARG 12 39.728 3.247 0.267 80 HG2 ARG 12 HG2 ARG 12 41.639 1.935 0.716 81 HG3 ARG 12 HG1 ARG 12 41.348 1.979 2.455 82 HD2 ARG 12 HD2 ARG 12 39.295 0.689 2.142 83 HD3 ARG 12 HD1 ARG 12 39.574 0.656 0.404 84 HE ARG 12 HE ARG 12 41.810 -0.414 1.745 85 HH11 ARG 12 HH11 ARG 12 38.788 -2.957 1.010 86 HH12 ARG 12 HH12 ARG 12 38.486 -1.251 0.977 87 HH21 ARG 12 HH21 ARG 12 40.876 -3.746 1.464 88 HH22 ARG 12 HH22 ARG 12 42.179 -2.652 1.784 89 H VAL 13 HN VAL 13 42.928 3.777 0.702 90 HA VAL 13 HA VAL 13 43.205 6.071 -1.068 91 HB VAL 13 HB VAL 13 45.130 5.336 0.327 92 HG11 VAL 13 HG11 VAL 13 45.211 2.910 -1.460 93 HG12 VAL 13 HG12 VAL 13 44.859 2.930 0.267 94 HG13 VAL 13 HG13 VAL 13 46.462 3.383 -0.312 95 HG21 VAL 13 HG21 VAL 13 46.849 5.511 -1.417 96 HG22 VAL 13 HG22 VAL 13 45.546 6.679 -1.641 97 HG23 VAL 13 HG23 VAL 13 45.615 5.231 -2.647 98 H ARG 14 HN ARG 14 42.901 6.051 -3.207 99 HA ARG 14 HA ARG 14 42.143 3.504 -4.465 100 HB2 ARG 14 HB2 ARG 14 41.378 6.355 -5.087 101 HB3 ARG 14 HB1 ARG 14 41.069 5.035 -6.205 102 HG2 ARG 14 HG2 ARG 14 40.096 4.799 -3.396 103 HG3 ARG 14 HG1 ARG 14 39.225 5.842 -4.521 104 HD2 ARG 14 HD2 ARG 14 39.894 2.968 -5.131 105 HD3 ARG 14 HD1 ARG 14 38.400 3.455 -4.334 106 HE ARG 14 HE ARG 14 38.752 4.920 -6.727 107 HH11 ARG 14 HH11 ARG 14 36.915 1.362 -7.041 108 HH12 ARG 14 HH12 ARG 14 37.865 1.701 -5.634 109 HH21 ARG 14 HH21 ARG 14 37.505 4.453 -8.558 110 HH22 ARG 14 HH22 ARG 14 36.712 2.919 -8.696 111 H ARG 15 HN ARG 15 43.623 2.608 -5.675 112 HA ARG 15 HA ARG 15 45.181 4.215 -7.557 113 HB2 ARG 15 HB2 ARG 15 46.363 3.439 -5.243 114 HB3 ARG 15 HB1 ARG 15 46.684 2.026 -6.238 115 HG2 ARG 15 HG2 ARG 15 47.693 3.530 -7.942 116 HG3 ARG 15 HG1 ARG 15 47.484 4.870 -6.817 117 HD2 ARG 15 HD2 ARG 15 48.895 3.723 -5.185 118 HD3 ARG 15 HD1 ARG 15 49.097 2.373 -6.302 119 HE ARG 15 HE ARG 15 49.900 4.740 -7.578 120 HH11 ARG 15 HH11 ARG 15 52.660 3.028 -5.213 121 HH12 ARG 15 HH12 ARG 15 50.990 2.625 -4.995 122 HH21 ARG 15 HH21 ARG 15 52.093 5.251 -7.848 123 HH22 ARG 15 HH22 ARG 15 53.282 4.513 -6.827 124 H LEU 16 HN LEU 16 45.520 3.231 -9.493 125 HA LEU 16 HA LEU 16 45.390 1.781 -11.223 126 HB2 LEU 16 HB2 LEU 16 45.452 -0.298 -9.044 127 HB3 LEU 16 HB1 LEU 16 45.407 -0.707 -10.748 128 HG LEU 16 HG LEU 16 47.531 0.948 -10.750 129 HD11 LEU 16 HD11 LEU 16 47.645 -0.424 -8.069 130 HD12 LEU 16 HD12 LEU 16 47.371 1.300 -8.313 131 HD13 LEU 16 HD13 LEU 16 48.901 0.573 -8.803 132 HD21 LEU 16 HD21 LEU 16 47.551 -1.987 -10.056 133 HD22 LEU 16 HD22 LEU 16 48.921 -1.074 -10.688 134 HD23 LEU 16 HD23 LEU 16 47.479 -1.294 -11.677 135 H GLY 17 HN GLY 17 42.881 2.249 -9.134 136 HA2 GLY 17 HA2 GLY 17 40.662 2.380 -10.166 137 HA3 GLY 17 HA1 GLY 17 41.004 0.841 -10.935 138 H ILE 18 HN ILE 18 42.247 0.533 -7.928 139 HA ILE 18 HA ILE 18 39.735 -0.167 -6.608 140 HB ILE 18 HB ILE 18 40.810 -2.345 -5.794 141 HG12 ILE 18 HG12 ILE 18 42.254 -3.294 -7.836 142 HG13 ILE 18 HG11 ILE 18 42.721 -1.604 -7.975 143 HG21 ILE 18 HG21 ILE 18 39.979 -3.588 -7.749 144 HG22 ILE 18 HG22 ILE 18 39.962 -2.089 -8.680 145 HG23 ILE 18 HG23 ILE 18 38.894 -2.274 -7.288 146 HD11 ILE 18 HD11 ILE 18 44.315 -2.856 -6.644 147 HD12 ILE 18 HD12 ILE 18 43.033 -3.328 -5.528 148 HD13 ILE 18 HD13 ILE 18 43.504 -1.634 -5.663 149 H CYS 19 HN CYS 19 39.788 -0.130 -4.362 150 HA CYS 19 HA CYS 19 42.009 1.389 -3.255 151 HB2 CYS 19 HB2 CYS 19 40.562 1.790 -1.342 152 HB3 CYS 19 HB1 CYS 19 39.709 2.150 -2.835 153 H VAL 20 HN VAL 20 43.273 0.796 -1.562 154 HA VAL 20 HA VAL 20 43.014 -1.932 -0.513 155 HB VAL 20 HB VAL 20 45.570 -2.115 -0.608 156 HG11 VAL 20 HG11 VAL 20 45.523 -3.004 -2.902 157 HG12 VAL 20 HG12 VAL 20 43.993 -2.175 -3.186 158 HG13 VAL 20 HG13 VAL 20 44.085 -3.468 -1.990 159 HG21 VAL 20 HG21 VAL 20 45.223 0.039 -2.712 160 HG22 VAL 20 HG22 VAL 20 46.693 -0.894 -2.434 161 HG23 VAL 20 HG23 VAL 20 46.101 0.208 -1.191 162 HA PRO 21 HA PRO 21 43.979 -0.062 3.432 163 HB2 PRO 21 HB2 PRO 21 45.631 -2.284 4.348 164 HB3 PRO 21 HB1 PRO 21 43.986 -1.849 4.843 165 HG2 PRO 21 HG2 PRO 21 44.533 -4.079 3.437 166 HG3 PRO 21 HG1 PRO 21 43.005 -3.188 3.280 167 HD2 PRO 21 HD2 PRO 21 45.409 -3.133 1.493 168 HD3 PRO 21 HD1 PRO 21 43.688 -3.203 1.065 169 H ASP 22 HN ASP 22 45.492 1.137 4.531 170 HA ASP 22 HA ASP 22 48.191 1.202 3.364 171 HB2 ASP 22 HB2 ASP 22 46.559 3.251 3.337 172 HB3 ASP 22 HB1 ASP 22 47.052 3.437 5.017 173 H ASP 23 HN ASP 23 46.468 1.513 6.474 174 HA ASP 23 HA ASP 23 48.808 0.361 7.822 175 HB2 ASP 23 HB2 ASP 23 47.320 2.851 8.666 176 HB3 ASP 23 HB1 ASP 23 48.360 1.942 9.759 177 H ASP 24 HN ASP 24 45.379 1.270 8.170 178 HA ASP 24 HA ASP 24 44.909 -1.267 9.578 179 HB2 ASP 24 HB2 ASP 24 45.029 0.883 11.078 180 HB3 ASP 24 HB1 ASP 24 43.423 1.200 10.429 181 H TYR 25 HN TYR 25 43.448 1.494 7.878 182 HA TYR 25 HA TYR 25 41.283 -0.277 6.955 183 HB2 TYR 25 HB2 TYR 25 41.337 2.724 7.311 184 HB3 TYR 25 HB1 TYR 25 40.041 1.872 6.481 185 HD1 TYR 25 HD1 TYR 25 38.465 0.489 7.723 186 HD2 TYR 25 HD2 TYR 25 41.586 2.578 9.722 187 HE1 TYR 25 HE1 TYR 25 37.332 0.113 9.873 188 HE2 TYR 25 HE2 TYR 25 40.463 2.206 11.877 189 HH TYR 25 HH TYR 25 37.903 0.015 12.263 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 26.519 -6.814 -4.180 2 H2 PHE 1 HT2 PHE 1 25.097 -6.340 -4.963 3 H3 PHE 1 HT3 PHE 1 25.921 -5.244 -3.973 4 HA PHE 1 HA PHE 1 26.950 -6.401 -6.496 5 HB2 PHE 1 HB2 PHE 1 25.833 -3.668 -5.845 6 HB3 PHE 1 HB1 PHE 1 26.764 -4.009 -7.299 7 HD1 PHE 1 HD1 PHE 1 25.830 -5.339 -9.092 8 HD2 PHE 1 HD2 PHE 1 23.583 -4.508 -5.574 9 HE1 PHE 1 HE1 PHE 1 23.777 -6.060 -10.237 10 HE2 PHE 1 HE2 PHE 1 21.526 -5.229 -6.715 11 HZ PHE 1 HZ PHE 1 21.620 -6.007 -9.050 12 H GLY 2 HN GLY 2 27.453 -4.159 -3.794 13 HA2 GLY 2 HA2 GLY 2 30.157 -4.682 -3.450 14 HA3 GLY 2 HA1 GLY 2 30.058 -3.323 -4.561 15 H VAL 3 HN VAL 3 30.749 -3.909 -1.557 16 HA VAL 3 HA VAL 3 30.536 -2.992 0.505 17 HB VAL 3 HB VAL 3 30.817 -0.498 0.592 18 HG11 VAL 3 HG11 VAL 3 32.707 -1.997 0.595 19 HG12 VAL 3 HG12 VAL 3 33.083 -0.554 -0.349 20 HG13 VAL 3 HG13 VAL 3 32.691 -2.066 -1.167 21 HG21 VAL 3 HG21 VAL 3 31.358 0.697 -1.487 22 HG22 VAL 3 HG22 VAL 3 29.674 0.173 -1.454 23 HG23 VAL 3 HG23 VAL 3 30.854 -0.710 -2.424 24 H LYS 4 HN LYS 4 28.786 -3.421 1.621 25 HA LYS 4 HA LYS 4 26.291 -2.005 1.059 26 HB2 LYS 4 HB2 LYS 4 25.293 -3.632 2.709 27 HB3 LYS 4 HB1 LYS 4 25.953 -4.348 1.251 28 HG2 LYS 4 HG2 LYS 4 27.956 -5.025 2.495 29 HG3 LYS 4 HG1 LYS 4 27.280 -4.311 3.960 30 HD2 LYS 4 HD2 LYS 4 25.390 -5.859 3.842 31 HD3 LYS 4 HD1 LYS 4 26.059 -6.568 2.372 32 HE2 LYS 4 HE2 LYS 4 28.049 -7.263 3.616 33 HE3 LYS 4 HE1 LYS 4 27.378 -6.555 5.085 34 HZ1 LYS 4 HZ1 LYS 4 27.014 -8.938 5.009 35 HZ2 LYS 4 HZ2 LYS 4 26.185 -8.796 3.543 36 HZ3 LYS 4 HZ3 LYS 4 25.536 -8.116 4.950 37 H ASP 5 HN ASP 5 28.554 -2.556 3.736 38 HA ASP 5 HA ASP 5 27.179 -0.571 5.372 39 HB2 ASP 5 HB2 ASP 5 29.294 -2.635 5.927 40 HB3 ASP 5 HB1 ASP 5 28.958 -1.345 7.069 41 H GLY 6 HN GLY 6 30.330 -1.184 3.867 42 HA2 GLY 6 HA2 GLY 6 31.295 0.955 2.903 43 HA3 GLY 6 HA1 GLY 6 31.153 1.570 4.544 44 H LYS 7 HN LYS 7 32.861 -0.614 2.422 45 HA LYS 7 HA LYS 7 34.814 -1.233 4.518 46 HB2 LYS 7 HB2 LYS 7 33.706 -2.973 2.900 47 HB3 LYS 7 HB1 LYS 7 34.903 -2.395 1.752 48 HG2 LYS 7 HG2 LYS 7 36.690 -3.017 3.302 49 HG3 LYS 7 HG1 LYS 7 35.486 -3.599 4.453 50 HD2 LYS 7 HD2 LYS 7 34.725 -5.256 2.824 51 HD3 LYS 7 HD1 LYS 7 35.916 -4.668 1.664 52 HE2 LYS 7 HE2 LYS 7 37.716 -5.299 3.197 53 HE3 LYS 7 HE1 LYS 7 36.525 -5.888 4.355 54 HZ1 LYS 7 HZ1 LYS 7 36.956 -6.961 1.619 55 HZ2 LYS 7 HZ2 LYS 7 35.812 -7.527 2.728 56 HZ3 LYS 7 HZ3 LYS 7 37.463 -7.693 3.058 57 H CYS 8 HN CYS 8 34.694 -0.017 1.159 58 HA CYS 8 HA CYS 8 37.410 0.995 1.439 59 HB2 CYS 8 HB2 CYS 8 35.637 0.484 -0.927 60 HB3 CYS 8 HB1 CYS 8 37.079 1.475 -1.062 61 HA PRO 9 HA PRO 9 35.007 5.046 0.280 62 HB2 PRO 9 HB2 PRO 9 32.315 5.148 0.576 63 HB3 PRO 9 HB1 PRO 9 33.084 4.581 -0.918 64 HG2 PRO 9 HG2 PRO 9 31.901 2.993 1.310 65 HG3 PRO 9 HG1 PRO 9 31.759 2.758 -0.445 66 HD2 PRO 9 HD2 PRO 9 33.472 1.322 1.100 67 HD3 PRO 9 HD1 PRO 9 33.779 1.698 -0.605 68 H SER 10 HN SER 10 35.636 3.733 2.927 69 HA SER 10 HA SER 10 34.194 5.578 4.719 70 HB2 SER 10 HB2 SER 10 33.929 3.127 5.192 71 HB3 SER 10 HB1 SER 10 35.662 3.047 5.503 72 HG SER 10 HG SER 10 34.101 4.943 6.863 73 H GLY 11 HN GLY 11 37.369 4.220 3.938 74 HA2 GLY 11 HA2 GLY 11 38.781 6.620 4.345 75 HA3 GLY 11 HA1 GLY 11 38.929 5.635 5.793 76 H ARG 12 HN ARG 12 38.864 4.842 2.334 77 HA ARG 12 HA ARG 12 41.466 3.500 2.631 78 HB2 ARG 12 HB2 ARG 12 39.137 2.225 2.204 79 HB3 ARG 12 HB1 ARG 12 39.558 2.595 0.540 80 HG2 ARG 12 HG2 ARG 12 40.582 0.588 0.694 81 HG3 ARG 12 HG1 ARG 12 41.887 1.581 1.343 82 HD2 ARG 12 HD2 ARG 12 41.143 1.099 3.613 83 HD3 ARG 12 HD1 ARG 12 39.810 0.136 2.981 84 HE ARG 12 HE ARG 12 42.317 -0.803 2.020 85 HH11 ARG 12 HH11 ARG 12 40.901 -2.388 5.428 86 HH12 ARG 12 HH12 ARG 12 40.251 -0.886 4.859 87 HH21 ARG 12 HH21 ARG 12 42.538 -3.451 4.254 88 HH22 ARG 12 HH22 ARG 12 43.147 -2.768 2.782 89 H VAL 13 HN VAL 13 42.814 3.460 0.744 90 HA VAL 13 HA VAL 13 42.533 5.849 -0.897 91 HB VAL 13 HB VAL 13 44.683 5.329 0.291 92 HG11 VAL 13 HG11 VAL 13 44.931 3.117 -1.743 93 HG12 VAL 13 HG12 VAL 13 44.825 2.940 0.009 94 HG13 VAL 13 HG13 VAL 13 46.241 3.702 -0.715 95 HG21 VAL 13 HG21 VAL 13 44.860 5.590 -2.707 96 HG22 VAL 13 HG22 VAL 13 46.158 5.958 -1.571 97 HG23 VAL 13 HG23 VAL 13 44.668 6.902 -1.545 98 H ARG 14 HN ARG 14 42.263 5.871 -3.086 99 HA ARG 14 HA ARG 14 41.777 3.273 -4.385 100 HB2 ARG 14 HB2 ARG 14 40.450 5.952 -4.788 101 HB3 ARG 14 HB1 ARG 14 40.305 4.649 -5.958 102 HG2 ARG 14 HG2 ARG 14 39.622 4.099 -3.111 103 HG3 ARG 14 HG1 ARG 14 38.485 5.013 -4.100 104 HD2 ARG 14 HD2 ARG 14 39.619 2.351 -4.938 105 HD3 ARG 14 HD1 ARG 14 38.130 2.508 -4.010 106 HE ARG 14 HE ARG 14 38.032 4.123 -6.339 107 HH11 ARG 14 HH11 ARG 14 36.771 0.324 -6.682 108 HH12 ARG 14 HH12 ARG 14 37.769 0.766 -5.338 109 HH21 ARG 14 HH21 ARG 14 36.724 3.521 -8.091 110 HH22 ARG 14 HH22 ARG 14 36.180 1.883 -8.238 111 H ARG 15 HN ARG 15 43.389 2.733 -5.650 112 HA ARG 15 HA ARG 15 44.454 4.684 -7.561 113 HB2 ARG 15 HB2 ARG 15 46.078 2.951 -5.698 114 HB3 ARG 15 HB1 ARG 15 46.749 3.605 -7.185 115 HG2 ARG 15 HG2 ARG 15 46.281 5.877 -6.388 116 HG3 ARG 15 HG1 ARG 15 45.641 5.207 -4.887 117 HD2 ARG 15 HD2 ARG 15 47.820 4.203 -4.408 118 HD3 ARG 15 HD1 ARG 15 48.459 4.867 -5.911 119 HE ARG 15 HE ARG 15 47.387 6.946 -4.338 120 HH11 ARG 15 HH11 ARG 15 51.180 5.890 -3.537 121 HH12 ARG 15 HH12 ARG 15 50.158 4.788 -4.398 122 HH21 ARG 15 HH21 ARG 15 48.743 8.372 -3.212 123 HH22 ARG 15 HH22 ARG 15 50.378 7.917 -2.867 124 H LEU 16 HN LEU 16 44.579 3.902 -9.584 125 HA LEU 16 HA LEU 16 44.487 2.545 -11.386 126 HB2 LEU 16 HB2 LEU 16 45.708 0.598 -9.447 127 HB3 LEU 16 HB1 LEU 16 45.375 0.158 -11.110 128 HG LEU 16 HG LEU 16 46.808 2.283 -11.666 129 HD11 LEU 16 HD11 LEU 16 47.057 3.133 -9.427 130 HD12 LEU 16 HD12 LEU 16 48.630 2.607 -10.028 131 HD13 LEU 16 HD13 LEU 16 47.743 1.602 -8.882 132 HD21 LEU 16 HD21 LEU 16 47.400 0.019 -12.295 133 HD22 LEU 16 HD22 LEU 16 48.003 -0.297 -10.668 134 HD23 LEU 16 HD23 LEU 16 48.820 0.879 -11.699 135 H GLY 17 HN GLY 17 42.305 2.439 -9.122 136 HA2 GLY 17 HA2 GLY 17 40.071 1.769 -9.379 137 HA3 GLY 17 HA1 GLY 17 40.578 0.617 -10.602 138 H ILE 18 HN ILE 18 42.304 0.659 -7.607 139 HA ILE 18 HA ILE 18 40.722 -1.586 -6.569 140 HB ILE 18 HB ILE 18 42.914 -2.719 -5.877 141 HG12 ILE 18 HG12 ILE 18 44.663 -2.330 -7.838 142 HG13 ILE 18 HG11 ILE 18 43.968 -0.716 -7.849 143 HG21 ILE 18 HG21 ILE 18 43.039 -3.942 -8.007 144 HG22 ILE 18 HG22 ILE 18 42.099 -2.668 -8.781 145 HG23 ILE 18 HG23 ILE 18 41.374 -3.647 -7.508 146 HD11 ILE 18 HD11 ILE 18 44.549 -0.461 -5.484 147 HD12 ILE 18 HD12 ILE 18 45.964 -0.799 -6.481 148 HD13 ILE 18 HD13 ILE 18 45.257 -2.077 -5.493 149 H CYS 19 HN CYS 19 41.085 -2.085 -4.311 150 HA CYS 19 HA CYS 19 41.578 0.340 -2.765 151 HB2 CYS 19 HB2 CYS 19 40.229 -2.279 -2.125 152 HB3 CYS 19 HB1 CYS 19 40.585 -1.083 -0.887 153 H VAL 20 HN VAL 20 43.308 0.648 -1.545 154 HA VAL 20 HA VAL 20 45.065 -1.648 -0.954 155 HB VAL 20 HB VAL 20 46.081 1.191 -1.134 156 HG11 VAL 20 HG11 VAL 20 47.439 -1.499 -1.397 157 HG12 VAL 20 HG12 VAL 20 47.552 -0.398 -0.025 158 HG13 VAL 20 HG13 VAL 20 48.240 0.060 -1.585 159 HG21 VAL 20 HG21 VAL 20 45.979 -0.799 -3.411 160 HG22 VAL 20 HG22 VAL 20 46.829 0.745 -3.438 161 HG23 VAL 20 HG23 VAL 20 45.070 0.709 -3.311 162 HA PRO 21 HA PRO 21 44.203 -0.580 3.345 163 HB2 PRO 21 HB2 PRO 21 46.672 -1.987 4.101 164 HB3 PRO 21 HB1 PRO 21 44.991 -2.386 4.495 165 HG2 PRO 21 HG2 PRO 21 46.439 -3.874 2.809 166 HG3 PRO 21 HG1 PRO 21 44.692 -3.639 2.609 167 HD2 PRO 21 HD2 PRO 21 46.950 -2.328 1.150 168 HD3 PRO 21 HD1 PRO 21 45.401 -2.936 0.530 169 H ASP 22 HN ASP 22 44.590 1.343 4.248 170 HA ASP 22 HA ASP 22 47.253 2.550 4.009 171 HB2 ASP 22 HB2 ASP 22 44.979 3.669 3.299 172 HB3 ASP 22 HB1 ASP 22 44.863 4.046 5.013 173 H ASP 23 HN ASP 23 45.217 1.052 6.310 174 HA ASP 23 HA ASP 23 46.466 2.376 8.597 175 HB2 ASP 23 HB2 ASP 23 44.190 0.406 8.373 176 HB3 ASP 23 HB1 ASP 23 44.867 0.910 9.917 177 H ASP 24 HN ASP 24 46.332 -0.771 7.008 178 HA ASP 24 HA ASP 24 48.002 -2.033 9.012 179 HB2 ASP 24 HB2 ASP 24 46.672 -2.986 6.487 180 HB3 ASP 24 HB1 ASP 24 47.829 -3.984 7.353 181 H TYR 25 HN TYR 25 48.276 -0.955 5.646 182 HA TYR 25 HA TYR 25 51.192 -1.352 5.816 183 HB2 TYR 25 HB2 TYR 25 49.362 -1.644 3.430 184 HB3 TYR 25 HB1 TYR 25 51.112 -1.538 3.290 185 HD1 TYR 25 HD1 TYR 25 52.530 -3.382 3.988 186 HD2 TYR 25 HD2 TYR 25 48.301 -3.627 4.362 187 HE1 TYR 25 HE1 TYR 25 52.709 -5.809 4.342 188 HE2 TYR 25 HE2 TYR 25 48.466 -6.054 4.718 189 HH TYR 25 HH TYR 25 51.397 -7.621 5.377 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 26.672 6.807 6.305 2 H2 PHE 1 HT2 PHE 1 27.584 6.801 4.880 3 H3 PHE 1 HT3 PHE 1 28.036 7.798 6.170 4 HA PHE 1 HA PHE 1 29.461 5.865 6.009 5 HB2 PHE 1 HB2 PHE 1 29.131 5.039 8.375 6 HB3 PHE 1 HB1 PHE 1 29.253 6.784 8.202 7 HD1 PHE 1 HD1 PHE 1 27.050 3.986 9.032 8 HD2 PHE 1 HD2 PHE 1 27.349 8.214 8.641 9 HE1 PHE 1 HE1 PHE 1 24.940 4.246 10.270 10 HE2 PHE 1 HE2 PHE 1 25.239 8.480 9.879 11 HZ PHE 1 HZ PHE 1 24.033 6.495 10.696 12 H GLY 2 HN GLY 2 29.760 3.645 5.993 13 HA2 GLY 2 HA2 GLY 2 28.283 1.511 6.470 14 HA3 GLY 2 HA1 GLY 2 27.440 2.127 5.057 15 H VAL 3 HN VAL 3 27.952 0.977 3.335 16 HA VAL 3 HA VAL 3 30.766 0.514 2.710 17 HB VAL 3 HB VAL 3 30.163 -1.828 1.870 18 HG11 VAL 3 HG11 VAL 3 30.225 -1.291 4.834 19 HG12 VAL 3 HG12 VAL 3 31.619 -1.449 3.766 20 HG13 VAL 3 HG13 VAL 3 30.576 -2.839 4.068 21 HG21 VAL 3 HG21 VAL 3 27.728 -1.696 2.055 22 HG22 VAL 3 HG22 VAL 3 27.860 -1.476 3.801 23 HG23 VAL 3 HG23 VAL 3 28.360 -3.000 3.063 24 H LYS 4 HN LYS 4 31.059 1.534 0.867 25 HA LYS 4 HA LYS 4 28.931 1.618 -1.132 26 HB2 LYS 4 HB2 LYS 4 31.401 3.250 -0.638 27 HB3 LYS 4 HB1 LYS 4 30.603 3.292 -2.200 28 HG2 LYS 4 HG2 LYS 4 28.540 4.048 -1.138 29 HG3 LYS 4 HG1 LYS 4 29.331 3.988 0.438 30 HD2 LYS 4 HD2 LYS 4 30.940 5.676 -0.307 31 HD3 LYS 4 HD1 LYS 4 30.153 5.731 -1.886 32 HE2 LYS 4 HE2 LYS 4 28.706 6.325 0.686 33 HE3 LYS 4 HE1 LYS 4 29.535 7.566 -0.253 34 HZ1 LYS 4 HZ1 LYS 4 27.182 7.473 -0.789 35 HZ2 LYS 4 HZ2 LYS 4 27.318 5.847 -1.235 36 HZ3 LYS 4 HZ3 LYS 4 28.111 7.039 -2.136 37 H ASP 5 HN ASP 5 32.385 0.802 -0.842 38 HA ASP 5 HA ASP 5 32.347 -0.431 -3.488 39 HB2 ASP 5 HB2 ASP 5 34.534 0.405 -1.605 40 HB3 ASP 5 HB1 ASP 5 34.858 -0.676 -2.950 41 H GLY 6 HN GLY 6 32.991 -1.228 -0.088 42 HA2 GLY 6 HA2 GLY 6 32.040 -3.481 0.536 43 HA3 GLY 6 HA1 GLY 6 32.982 -4.093 -0.816 44 H LYS 7 HN LYS 7 35.383 -2.914 -0.564 45 HA LYS 7 HA LYS 7 36.417 -4.100 1.891 46 HB2 LYS 7 HB2 LYS 7 37.627 -3.324 -0.742 47 HB3 LYS 7 HB1 LYS 7 38.648 -3.600 0.657 48 HG2 LYS 7 HG2 LYS 7 37.766 -5.866 0.862 49 HG3 LYS 7 HG1 LYS 7 36.733 -5.588 -0.541 50 HD2 LYS 7 HD2 LYS 7 38.713 -5.231 -1.931 51 HD3 LYS 7 HD1 LYS 7 39.750 -5.498 -0.529 52 HE2 LYS 7 HE2 LYS 7 38.877 -7.776 -0.322 53 HE3 LYS 7 HE1 LYS 7 37.842 -7.507 -1.724 54 HZ1 LYS 7 HZ1 LYS 7 39.821 -7.181 -3.074 55 HZ2 LYS 7 HZ2 LYS 7 39.851 -8.699 -2.329 56 HZ3 LYS 7 HZ3 LYS 7 40.812 -7.444 -1.728 57 H CYS 8 HN CYS 8 36.470 -1.026 0.124 58 HA CYS 8 HA CYS 8 37.684 0.266 2.465 59 HB2 CYS 8 HB2 CYS 8 38.115 2.156 0.772 60 HB3 CYS 8 HB1 CYS 8 39.095 0.700 0.658 61 HA PRO 9 HA PRO 9 33.560 2.123 2.887 62 HB2 PRO 9 HB2 PRO 9 34.431 3.298 5.388 63 HB3 PRO 9 HB1 PRO 9 33.316 1.944 5.142 64 HG2 PRO 9 HG2 PRO 9 35.773 1.695 6.288 65 HG3 PRO 9 HG1 PRO 9 34.928 0.384 5.444 66 HD2 PRO 9 HD2 PRO 9 37.140 2.140 4.465 67 HD3 PRO 9 HD1 PRO 9 36.869 0.403 4.213 68 H SER 10 HN SER 10 35.362 3.451 1.214 69 HA SER 10 HA SER 10 35.654 5.443 0.180 70 HB2 SER 10 HB2 SER 10 33.839 6.587 2.315 71 HB3 SER 10 HB1 SER 10 34.383 7.448 0.876 72 HG SER 10 HG SER 10 32.514 6.617 0.215 73 H GLY 11 HN GLY 11 36.268 5.317 3.621 74 HA2 GLY 11 HA2 GLY 11 38.087 7.596 3.539 75 HA3 GLY 11 HA1 GLY 11 37.673 6.644 4.955 76 H ARG 12 HN ARG 12 38.933 5.607 1.805 77 HA ARG 12 HA ARG 12 41.458 4.790 3.060 78 HB2 ARG 12 HB2 ARG 12 39.437 2.988 2.467 79 HB3 ARG 12 HB1 ARG 12 40.493 2.875 1.066 80 HG2 ARG 12 HG2 ARG 12 42.350 2.255 2.419 81 HG3 ARG 12 HG1 ARG 12 41.467 2.615 3.901 82 HD2 ARG 12 HD2 ARG 12 39.827 0.823 3.203 83 HD3 ARG 12 HD1 ARG 12 40.982 0.380 1.946 84 HE ARG 12 HE ARG 12 42.450 0.358 4.242 85 HH11 ARG 12 HH11 ARG 12 39.801 -2.662 4.241 86 HH12 ARG 12 HH12 ARG 12 39.508 -1.279 3.241 87 HH21 ARG 12 HH21 ARG 12 41.671 -2.764 5.543 88 HH22 ARG 12 HH22 ARG 12 42.811 -1.460 5.544 89 H VAL 13 HN VAL 13 42.972 3.917 1.163 90 HA VAL 13 HA VAL 13 43.095 6.074 -0.787 91 HB VAL 13 HB VAL 13 45.336 5.092 -1.388 92 HG11 VAL 13 HG11 VAL 13 46.457 5.900 0.637 93 HG12 VAL 13 HG12 VAL 13 44.913 5.880 1.489 94 HG13 VAL 13 HG13 VAL 13 45.153 6.972 0.124 95 HG21 VAL 13 HG21 VAL 13 44.953 2.783 -0.633 96 HG22 VAL 13 HG22 VAL 13 44.874 3.347 1.038 97 HG23 VAL 13 HG23 VAL 13 46.379 3.487 0.130 98 H ARG 14 HN ARG 14 43.111 5.834 -3.003 99 HA ARG 14 HA ARG 14 42.423 3.172 -4.051 100 HB2 ARG 14 HB2 ARG 14 40.514 4.957 -3.863 101 HB3 ARG 14 HB1 ARG 14 41.278 5.651 -5.288 102 HG2 ARG 14 HG2 ARG 14 41.019 3.472 -6.438 103 HG3 ARG 14 HG1 ARG 14 40.153 2.868 -5.025 104 HD2 ARG 14 HD2 ARG 14 38.508 3.528 -6.582 105 HD3 ARG 14 HD1 ARG 14 38.543 4.779 -5.342 106 HE ARG 14 HE ARG 14 40.260 5.584 -7.376 107 HH11 ARG 14 HH11 ARG 14 36.374 6.158 -8.215 108 HH12 ARG 14 HH12 ARG 14 36.816 5.007 -6.999 109 HH21 ARG 14 HH21 ARG 14 39.657 7.086 -8.964 110 HH22 ARG 14 HH22 ARG 14 37.982 7.334 -9.326 111 H ARG 15 HN ARG 15 43.330 2.579 -5.935 112 HA ARG 15 HA ARG 15 44.875 4.466 -7.526 113 HB2 ARG 15 HB2 ARG 15 46.088 2.113 -6.078 114 HB3 ARG 15 HB1 ARG 15 46.826 2.788 -7.522 115 HG2 ARG 15 HG2 ARG 15 47.021 4.958 -6.397 116 HG3 ARG 15 HG1 ARG 15 46.310 4.255 -4.943 117 HD2 ARG 15 HD2 ARG 15 48.168 2.675 -4.795 118 HD3 ARG 15 HD1 ARG 15 48.873 3.359 -6.259 119 HE ARG 15 HE ARG 15 48.478 5.381 -4.321 120 HH11 ARG 15 HH11 ARG 15 51.944 3.357 -4.158 121 HH12 ARG 15 HH12 ARG 15 50.606 2.677 -5.020 122 HH21 ARG 15 HH21 ARG 15 50.244 6.253 -3.197 123 HH22 ARG 15 HH22 ARG 15 51.738 5.380 -3.127 124 H LEU 16 HN LEU 16 44.318 4.114 -9.583 125 HA LEU 16 HA LEU 16 43.688 3.157 -11.533 126 HB2 LEU 16 HB2 LEU 16 44.942 0.707 -10.296 127 HB3 LEU 16 HB1 LEU 16 44.328 0.744 -11.938 128 HG LEU 16 HG LEU 16 45.963 2.803 -12.167 129 HD11 LEU 16 HD11 LEU 16 47.196 1.227 -9.913 130 HD12 LEU 16 HD12 LEU 16 46.640 2.899 -9.844 131 HD13 LEU 16 HD13 LEU 16 48.017 2.469 -10.859 132 HD21 LEU 16 HD21 LEU 16 47.702 1.263 -12.950 133 HD22 LEU 16 HD22 LEU 16 46.095 0.765 -13.480 134 HD23 LEU 16 HD23 LEU 16 46.879 -0.069 -12.137 135 H GLY 17 HN GLY 17 42.023 2.772 -8.876 136 HA2 GLY 17 HA2 GLY 17 39.655 2.437 -8.939 137 HA3 GLY 17 HA1 GLY 17 39.889 1.251 -10.212 138 H ILE 18 HN ILE 18 42.130 0.911 -7.673 139 HA ILE 18 HA ILE 18 40.430 -1.024 -6.262 140 HB ILE 18 HB ILE 18 42.443 -2.572 -6.080 141 HG12 ILE 18 HG12 ILE 18 43.466 -1.725 -8.701 142 HG13 ILE 18 HG11 ILE 18 43.798 -0.568 -7.418 143 HG21 ILE 18 HG21 ILE 18 40.472 -3.119 -7.389 144 HG22 ILE 18 HG22 ILE 18 41.925 -3.672 -8.225 145 HG23 ILE 18 HG23 ILE 18 41.102 -2.207 -8.762 146 HD11 ILE 18 HD11 ILE 18 44.530 -3.487 -7.385 147 HD12 ILE 18 HD12 ILE 18 44.881 -2.314 -6.113 148 HD13 ILE 18 HD13 ILE 18 45.628 -2.144 -7.703 149 H CYS 19 HN CYS 19 40.413 -0.692 -4.176 150 HA CYS 19 HA CYS 19 42.486 0.937 -2.918 151 HB2 CYS 19 HB2 CYS 19 40.844 0.986 -1.000 152 HB3 CYS 19 HB1 CYS 19 40.269 1.718 -2.493 153 H VAL 20 HN VAL 20 43.691 0.270 -1.167 154 HA VAL 20 HA VAL 20 43.341 -2.443 -0.155 155 HB VAL 20 HB VAL 20 45.874 -2.814 -0.319 156 HG11 VAL 20 HG11 VAL 20 44.251 -4.099 -1.606 157 HG12 VAL 20 HG12 VAL 20 45.683 -3.763 -2.583 158 HG13 VAL 20 HG13 VAL 20 44.203 -2.836 -2.837 159 HG21 VAL 20 HG21 VAL 20 45.605 -0.704 -2.480 160 HG22 VAL 20 HG22 VAL 20 47.015 -1.732 -2.223 161 HG23 VAL 20 HG23 VAL 20 46.547 -0.552 -0.995 162 HA PRO 21 HA PRO 21 44.553 -0.570 3.716 163 HB2 PRO 21 HB2 PRO 21 45.914 -2.973 4.663 164 HB3 PRO 21 HB1 PRO 21 44.354 -2.308 5.175 165 HG2 PRO 21 HG2 PRO 21 44.557 -4.622 3.819 166 HG3 PRO 21 HG1 PRO 21 43.167 -3.530 3.658 167 HD2 PRO 21 HD2 PRO 21 45.525 -3.853 1.839 168 HD3 PRO 21 HD1 PRO 21 43.803 -3.696 1.438 169 H ASP 22 HN ASP 22 46.215 0.469 4.736 170 HA ASP 22 HA ASP 22 48.863 0.232 3.493 171 HB2 ASP 22 HB2 ASP 22 47.554 2.459 5.053 172 HB3 ASP 22 HB1 ASP 22 49.258 2.474 4.615 173 H ASP 23 HN ASP 23 47.244 0.076 6.616 174 HA ASP 23 HA ASP 23 49.743 -0.202 8.072 175 HB2 ASP 23 HB2 ASP 23 46.855 -0.173 8.944 176 HB3 ASP 23 HB1 ASP 23 48.185 -0.485 10.056 177 H ASP 24 HN ASP 24 46.979 -2.234 7.168 178 HA ASP 24 HA ASP 24 48.585 -4.600 7.807 179 HB2 ASP 24 HB2 ASP 24 46.811 -4.014 9.588 180 HB3 ASP 24 HB1 ASP 24 45.630 -4.554 8.403 181 H TYR 25 HN TYR 25 49.017 -4.693 5.628 182 HA TYR 25 HA TYR 25 46.812 -5.244 3.790 183 HB2 TYR 25 HB2 TYR 25 48.597 -5.135 2.011 184 HB3 TYR 25 HB1 TYR 25 48.343 -3.642 2.903 185 HD1 TYR 25 HD1 TYR 25 50.032 -2.913 4.591 186 HD2 TYR 25 HD2 TYR 25 50.701 -6.258 2.047 187 HE1 TYR 25 HE1 TYR 25 52.437 -2.807 5.092 188 HE2 TYR 25 HE2 TYR 25 53.107 -6.163 2.543 189 HH TYR 25 HH TYR 25 54.763 -4.519 3.312 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 20.070 5.857 -11.850 2 H2 PHE 1 HT2 PHE 1 19.911 7.432 -12.445 3 H3 PHE 1 HT3 PHE 1 19.114 6.982 -11.025 4 HA PHE 1 HA PHE 1 22.050 7.118 -11.385 5 HB2 PHE 1 HB2 PHE 1 20.104 8.953 -9.973 6 HB3 PHE 1 HB1 PHE 1 21.844 9.007 -9.716 7 HD1 PHE 1 HD1 PHE 1 19.123 9.723 -12.044 8 HD2 PHE 1 HD2 PHE 1 23.331 9.855 -11.426 9 HE1 PHE 1 HE1 PHE 1 19.354 11.233 -13.973 10 HE2 PHE 1 HE2 PHE 1 23.571 11.365 -13.353 11 HZ PHE 1 HZ PHE 1 21.581 12.056 -14.630 12 H GLY 2 HN GLY 2 23.285 6.538 -9.616 13 HA2 GLY 2 HA2 GLY 2 21.942 5.511 -7.228 14 HA3 GLY 2 HA1 GLY 2 22.889 4.370 -8.172 15 H VAL 3 HN VAL 3 25.075 4.345 -7.991 16 HA VAL 3 HA VAL 3 26.443 6.472 -6.555 17 HB VAL 3 HB VAL 3 27.673 4.759 -5.125 18 HG11 VAL 3 HG11 VAL 3 26.109 6.345 -4.183 19 HG12 VAL 3 HG12 VAL 3 25.964 4.788 -3.370 20 HG13 VAL 3 HG13 VAL 3 24.760 5.275 -4.563 21 HG21 VAL 3 HG21 VAL 3 26.980 2.697 -6.189 22 HG22 VAL 3 HG22 VAL 3 25.287 3.046 -5.839 23 HG23 VAL 3 HG23 VAL 3 26.411 2.715 -4.519 24 H LYS 4 HN LYS 4 28.111 7.011 -7.733 25 HA LYS 4 HA LYS 4 29.250 5.212 -9.690 26 HB2 LYS 4 HB2 LYS 4 28.822 7.826 -9.815 27 HB3 LYS 4 HB1 LYS 4 30.432 7.895 -9.115 28 HG2 LYS 4 HG2 LYS 4 31.309 6.601 -10.994 29 HG3 LYS 4 HG1 LYS 4 29.691 6.531 -11.697 30 HD2 LYS 4 HD2 LYS 4 29.662 8.975 -11.867 31 HD3 LYS 4 HD1 LYS 4 31.277 9.044 -11.162 32 HE2 LYS 4 HE2 LYS 4 30.657 7.532 -13.690 33 HE3 LYS 4 HE1 LYS 4 31.142 9.227 -13.686 34 HZ1 LYS 4 HZ1 LYS 4 32.737 6.968 -12.596 35 HZ2 LYS 4 HZ2 LYS 4 33.204 8.595 -12.591 36 HZ3 LYS 4 HZ3 LYS 4 33.029 7.770 -14.057 37 H ASP 5 HN ASP 5 30.350 6.868 -6.739 38 HA ASP 5 HA ASP 5 32.700 5.108 -6.685 39 HB2 ASP 5 HB2 ASP 5 32.289 7.953 -5.846 40 HB3 ASP 5 HB1 ASP 5 33.514 6.984 -5.046 41 H GLY 6 HN GLY 6 32.064 3.413 -5.480 42 HA2 GLY 6 HA2 GLY 6 31.716 3.775 -2.656 43 HA3 GLY 6 HA1 GLY 6 30.240 3.251 -3.446 44 H LYS 7 HN LYS 7 33.624 2.425 -2.916 45 HA LYS 7 HA LYS 7 32.906 -0.423 -3.095 46 HB2 LYS 7 HB2 LYS 7 34.312 0.667 -5.054 47 HB3 LYS 7 HB1 LYS 7 35.640 0.474 -3.921 48 HG2 LYS 7 HG2 LYS 7 35.794 -1.482 -5.104 49 HG3 LYS 7 HG1 LYS 7 34.756 -1.992 -3.771 50 HD2 LYS 7 HD2 LYS 7 32.782 -1.652 -5.185 51 HD3 LYS 7 HD1 LYS 7 33.821 -1.138 -6.515 52 HE2 LYS 7 HE2 LYS 7 34.893 -3.340 -6.521 53 HE3 LYS 7 HE1 LYS 7 33.848 -3.852 -5.198 54 HZ1 LYS 7 HZ1 LYS 7 32.935 -3.040 -7.905 55 HZ2 LYS 7 HZ2 LYS 7 31.932 -3.532 -6.635 56 HZ3 LYS 7 HZ3 LYS 7 33.019 -4.628 -7.325 57 H CYS 8 HN CYS 8 35.161 1.995 -1.804 58 HA CYS 8 HA CYS 8 36.257 0.163 0.139 59 HB2 CYS 8 HB2 CYS 8 36.740 3.131 0.098 60 HB3 CYS 8 HB1 CYS 8 37.821 1.845 0.605 61 HA PRO 9 HA PRO 9 33.516 1.338 3.482 62 HB2 PRO 9 HB2 PRO 9 35.552 1.190 5.542 63 HB3 PRO 9 HB1 PRO 9 34.313 -0.007 5.133 64 HG2 PRO 9 HG2 PRO 9 36.962 -0.427 4.754 65 HG3 PRO 9 HG1 PRO 9 35.697 -1.181 3.763 66 HD2 PRO 9 HD2 PRO 9 37.380 1.220 3.154 67 HD3 PRO 9 HD1 PRO 9 36.946 -0.147 2.106 68 H SER 10 HN SER 10 34.913 3.632 2.201 69 HA SER 10 HA SER 10 35.088 5.871 2.401 70 HB2 SER 10 HB2 SER 10 33.612 5.494 5.020 71 HB3 SER 10 HB1 SER 10 33.892 7.044 4.228 72 HG SER 10 HG SER 10 32.618 4.926 2.872 73 H GLY 11 HN GLY 11 37.126 6.398 2.494 74 HA2 GLY 11 HA2 GLY 11 38.795 7.621 3.756 75 HA3 GLY 11 HA1 GLY 11 38.417 6.608 5.142 76 H ARG 12 HN ARG 12 39.094 5.779 1.759 77 HA ARG 12 HA ARG 12 41.490 4.303 2.608 78 HB2 ARG 12 HB2 ARG 12 39.188 3.023 2.038 79 HB3 ARG 12 HB1 ARG 12 39.850 3.151 0.415 80 HG2 ARG 12 HG2 ARG 12 41.823 1.957 1.069 81 HG3 ARG 12 HG1 ARG 12 41.310 1.955 2.756 82 HD2 ARG 12 HD2 ARG 12 39.318 0.639 2.096 83 HD3 ARG 12 HD1 ARG 12 39.946 0.571 0.451 84 HE ARG 12 HE ARG 12 41.935 -0.400 2.127 85 HH11 ARG 12 HH11 ARG 12 38.979 -3.031 1.432 86 HH12 ARG 12 HH12 ARG 12 38.685 -1.342 1.189 87 HH21 ARG 12 HH21 ARG 12 41.021 -3.751 2.141 88 HH22 ARG 12 HH22 ARG 12 42.295 -2.618 2.445 89 H VAL 13 HN VAL 13 43.043 3.927 0.885 90 HA VAL 13 HA VAL 13 43.090 6.131 -1.016 91 HB VAL 13 HB VAL 13 45.079 5.742 0.390 92 HG11 VAL 13 HG11 VAL 13 45.055 3.334 0.609 93 HG12 VAL 13 HG12 VAL 13 46.607 3.875 -0.029 94 HG13 VAL 13 HG13 VAL 13 45.415 3.148 -1.107 95 HG21 VAL 13 HG21 VAL 13 46.788 5.891 -1.366 96 HG22 VAL 13 HG22 VAL 13 45.376 6.889 -1.718 97 HG23 VAL 13 HG23 VAL 13 45.599 5.352 -2.553 98 H ARG 14 HN ARG 14 42.378 5.910 -3.006 99 HA ARG 14 HA ARG 14 42.087 3.239 -4.166 100 HB2 ARG 14 HB2 ARG 14 40.234 5.121 -3.993 101 HB3 ARG 14 HB1 ARG 14 40.998 5.709 -5.461 102 HG2 ARG 14 HG2 ARG 14 40.162 2.844 -5.295 103 HG3 ARG 14 HG1 ARG 14 38.950 4.091 -5.585 104 HD2 ARG 14 HD2 ARG 14 41.453 3.813 -7.240 105 HD3 ARG 14 HD1 ARG 14 39.943 2.997 -7.638 106 HE ARG 14 HE ARG 14 39.429 5.734 -7.290 107 HH11 ARG 14 HH11 ARG 14 40.820 4.688 -10.910 108 HH12 ARG 14 HH12 ARG 14 41.065 3.619 -9.568 109 HH21 ARG 14 HH21 ARG 14 39.121 7.116 -9.060 110 HH22 ARG 14 HH22 ARG 14 39.722 6.665 -10.621 111 H ARG 15 HN ARG 15 43.481 2.520 -5.583 112 HA ARG 15 HA ARG 15 44.775 4.343 -7.472 113 HB2 ARG 15 HB2 ARG 15 46.210 2.413 -5.647 114 HB3 ARG 15 HB1 ARG 15 46.935 3.027 -7.124 115 HG2 ARG 15 HG2 ARG 15 46.680 5.325 -6.260 116 HG3 ARG 15 HG1 ARG 15 46.045 4.659 -4.754 117 HD2 ARG 15 HD2 ARG 15 48.748 3.937 -5.868 118 HD3 ARG 15 HD1 ARG 15 48.495 5.272 -4.747 119 HE ARG 15 HE ARG 15 47.351 3.011 -3.604 120 HH11 ARG 15 HH11 ARG 15 51.352 3.137 -3.283 121 HH12 ARG 15 HH12 ARG 15 50.571 4.083 -4.506 122 HH21 ARG 15 HH21 ARG 15 48.394 1.781 -2.014 123 HH22 ARG 15 HH22 ARG 15 50.119 1.835 -1.873 124 H LEU 16 HN LEU 16 44.881 3.540 -9.496 125 HA LEU 16 HA LEU 16 44.646 2.201 -11.303 126 HB2 LEU 16 HB2 LEU 16 45.491 0.112 -9.313 127 HB3 LEU 16 HB1 LEU 16 45.113 -0.306 -10.972 128 HG LEU 16 HG LEU 16 46.882 1.539 -11.550 129 HD11 LEU 16 HD11 LEU 16 48.709 1.603 -9.884 130 HD12 LEU 16 HD12 LEU 16 47.648 0.790 -8.731 131 HD13 LEU 16 HD13 LEU 16 47.235 2.398 -9.329 132 HD21 LEU 16 HD21 LEU 16 47.638 -1.170 -10.463 133 HD22 LEU 16 HD22 LEU 16 48.637 -0.172 -11.521 134 HD23 LEU 16 HD23 LEU 16 47.102 -0.814 -12.106 135 H GLY 17 HN GLY 17 42.419 2.367 -9.013 136 HA2 GLY 17 HA2 GLY 17 40.102 2.088 -9.780 137 HA3 GLY 17 HA1 GLY 17 40.582 0.526 -10.420 138 H ILE 18 HN ILE 18 42.188 -0.100 -8.002 139 HA ILE 18 HA ILE 18 39.956 -0.644 -6.150 140 HB ILE 18 HB ILE 18 41.267 -2.697 -5.430 141 HG12 ILE 18 HG12 ILE 18 42.542 -2.805 -8.124 142 HG13 ILE 18 HG11 ILE 18 43.318 -1.773 -6.928 143 HG21 ILE 18 HG21 ILE 18 40.363 -4.063 -7.272 144 HG22 ILE 18 HG22 ILE 18 40.142 -2.601 -8.233 145 HG23 ILE 18 HG23 ILE 18 39.222 -2.825 -6.744 146 HD11 ILE 18 HD11 ILE 18 43.514 -3.679 -5.413 147 HD12 ILE 18 HD12 ILE 18 44.303 -3.991 -6.959 148 HD13 ILE 18 HD13 ILE 18 42.731 -4.710 -6.611 149 H CYS 19 HN CYS 19 40.225 -0.357 -3.993 150 HA CYS 19 HA CYS 19 42.626 1.108 -3.171 151 HB2 CYS 19 HB2 CYS 19 41.251 1.750 -1.186 152 HB3 CYS 19 HB1 CYS 19 40.576 2.280 -2.721 153 H VAL 20 HN VAL 20 43.949 0.463 -1.555 154 HA VAL 20 HA VAL 20 43.299 -1.954 -0.049 155 HB VAL 20 HB VAL 20 45.705 -2.768 -0.391 156 HG11 VAL 20 HG11 VAL 20 45.112 -3.969 -2.457 157 HG12 VAL 20 HG12 VAL 20 43.774 -2.849 -2.714 158 HG13 VAL 20 HG13 VAL 20 43.766 -3.921 -1.315 159 HG21 VAL 20 HG21 VAL 20 46.637 -0.766 -1.463 160 HG22 VAL 20 HG22 VAL 20 45.523 -0.958 -2.815 161 HG23 VAL 20 HG23 VAL 20 46.776 -2.165 -2.530 162 HA PRO 21 HA PRO 21 45.262 0.271 3.291 163 HB2 PRO 21 HB2 PRO 21 46.216 -2.101 4.647 164 HB3 PRO 21 HB1 PRO 21 44.789 -1.123 5.022 165 HG2 PRO 21 HG2 PRO 21 44.656 -3.678 4.107 166 HG3 PRO 21 HG1 PRO 21 43.387 -2.467 3.851 167 HD2 PRO 21 HD2 PRO 21 45.523 -3.384 1.966 168 HD3 PRO 21 HD1 PRO 21 43.810 -3.045 1.651 169 H ASP 22 HN ASP 22 47.151 1.304 3.551 170 HA ASP 22 HA ASP 22 49.623 -0.023 2.666 171 HB2 ASP 22 HB2 ASP 22 48.804 2.875 2.731 172 HB3 ASP 22 HB1 ASP 22 50.486 2.388 2.540 173 H ASP 23 HN ASP 23 48.032 0.808 5.470 174 HA ASP 23 HA ASP 23 50.429 1.494 6.993 175 HB2 ASP 23 HB2 ASP 23 48.049 2.582 7.219 176 HB3 ASP 23 HB1 ASP 23 47.716 1.179 8.226 177 H ASP 24 HN ASP 24 48.385 -1.211 6.323 178 HA ASP 24 HA ASP 24 49.218 -2.732 8.648 179 HB2 ASP 24 HB2 ASP 24 47.382 -3.280 6.326 180 HB3 ASP 24 HB1 ASP 24 47.856 -4.549 7.446 181 H TYR 25 HN TYR 25 49.771 -2.728 5.147 182 HA TYR 25 HA TYR 25 51.773 -4.853 5.454 183 HB2 TYR 25 HB2 TYR 25 50.350 -3.773 3.017 184 HB3 TYR 25 HB1 TYR 25 51.697 -4.902 2.921 185 HD1 TYR 25 HD1 TYR 25 51.428 -7.222 3.614 186 HD2 TYR 25 HD2 TYR 25 48.173 -4.490 3.811 187 HE1 TYR 25 HE1 TYR 25 49.871 -9.106 3.878 188 HE2 TYR 25 HE2 TYR 25 46.606 -6.367 4.076 189 HH TYR 25 HH TYR 25 46.510 -8.771 3.569 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 24.587 -6.502 2.295 2 H2 PHE 1 HT2 PHE 1 26.122 -6.704 2.975 3 H3 PHE 1 HT3 PHE 1 24.744 -7.117 3.863 4 HA PHE 1 HA PHE 1 25.849 -9.081 3.019 5 HB2 PHE 1 HB2 PHE 1 23.256 -8.741 3.173 6 HB3 PHE 1 HB1 PHE 1 23.326 -8.787 1.415 7 HD1 PHE 1 HD1 PHE 1 23.723 -10.712 4.496 8 HD2 PHE 1 HD2 PHE 1 23.880 -10.831 0.245 9 HE1 PHE 1 HE1 PHE 1 23.696 -13.170 4.568 10 HE2 PHE 1 HE2 PHE 1 23.853 -13.290 0.309 11 HZ PHE 1 HZ PHE 1 23.761 -14.463 2.472 12 H GLY 2 HN GLY 2 24.810 -6.853 0.456 13 HA2 GLY 2 HA2 GLY 2 26.380 -8.373 -1.512 14 HA3 GLY 2 HA1 GLY 2 25.169 -7.157 -1.885 15 H VAL 3 HN VAL 3 25.726 -5.010 -1.956 16 HA VAL 3 HA VAL 3 28.459 -4.234 -1.288 17 HB VAL 3 HB VAL 3 28.621 -2.960 -3.504 18 HG11 VAL 3 HG11 VAL 3 29.569 -4.896 -4.672 19 HG12 VAL 3 HG12 VAL 3 28.777 -5.970 -3.517 20 HG13 VAL 3 HG13 VAL 3 30.029 -4.856 -2.969 21 HG21 VAL 3 HG21 VAL 3 26.533 -4.981 -4.344 22 HG22 VAL 3 HG22 VAL 3 27.455 -3.944 -5.431 23 HG23 VAL 3 HG23 VAL 3 26.319 -3.231 -4.286 24 H LYS 4 HN LYS 4 28.233 -2.596 0.047 25 HA LYS 4 HA LYS 4 25.990 -0.751 -0.229 26 HB2 LYS 4 HB2 LYS 4 27.910 -1.398 1.987 27 HB3 LYS 4 HB1 LYS 4 26.965 0.079 2.027 28 HG2 LYS 4 HG2 LYS 4 24.905 -1.220 1.931 29 HG3 LYS 4 HG1 LYS 4 25.845 -2.710 1.860 30 HD2 LYS 4 HD2 LYS 4 26.799 -2.207 4.059 31 HD3 LYS 4 HD1 LYS 4 25.853 -0.720 4.129 32 HE2 LYS 4 HE2 LYS 4 23.789 -2.029 4.034 33 HE3 LYS 4 HE1 LYS 4 24.733 -3.516 3.953 34 HZ1 LYS 4 HZ1 LYS 4 24.733 -1.589 6.215 35 HZ2 LYS 4 HZ2 LYS 4 25.635 -3.017 6.140 36 HZ3 LYS 4 HZ3 LYS 4 23.945 -3.087 6.194 37 H ASP 5 HN ASP 5 29.544 -0.668 0.076 38 HA ASP 5 HA ASP 5 29.545 2.125 -0.799 39 HB2 ASP 5 HB2 ASP 5 31.544 0.399 0.639 40 HB3 ASP 5 HB1 ASP 5 32.032 1.898 -0.134 41 H GLY 6 HN GLY 6 31.136 -0.991 -1.498 42 HA2 GLY 6 HA2 GLY 6 31.084 -1.452 -4.014 43 HA3 GLY 6 HA1 GLY 6 31.960 0.068 -4.124 44 H LYS 7 HN LYS 7 34.055 0.200 -3.066 45 HA LYS 7 HA LYS 7 35.430 -2.394 -3.031 46 HB2 LYS 7 HB2 LYS 7 36.264 0.342 -3.942 47 HB3 LYS 7 HB1 LYS 7 37.473 -0.830 -3.456 48 HG2 LYS 7 HG2 LYS 7 37.392 -1.166 -5.729 49 HG3 LYS 7 HG1 LYS 7 36.255 -2.387 -5.161 50 HD2 LYS 7 HD2 LYS 7 34.392 -0.858 -5.633 51 HD3 LYS 7 HD1 LYS 7 35.538 0.352 -6.215 52 HE2 LYS 7 HE2 LYS 7 36.260 -1.178 -7.978 53 HE3 LYS 7 HE1 LYS 7 35.130 -2.397 -7.390 54 HZ1 LYS 7 HZ1 LYS 7 34.230 -1.200 -9.282 55 HZ2 LYS 7 HZ2 LYS 7 34.391 0.272 -8.465 56 HZ3 LYS 7 HZ3 LYS 7 33.305 -0.895 -7.898 57 H CYS 8 HN CYS 8 35.515 0.863 -1.564 58 HA CYS 8 HA CYS 8 36.282 -0.358 0.984 59 HB2 CYS 8 HB2 CYS 8 37.793 1.736 1.302 60 HB3 CYS 8 HB1 CYS 8 38.401 0.384 0.359 61 HA PRO 9 HA PRO 9 33.254 2.459 2.674 62 HB2 PRO 9 HB2 PRO 9 34.699 2.891 5.163 63 HB3 PRO 9 HB1 PRO 9 33.285 1.865 4.872 64 HG2 PRO 9 HG2 PRO 9 35.717 0.867 5.492 65 HG3 PRO 9 HG1 PRO 9 34.536 0.004 4.487 66 HD2 PRO 9 HD2 PRO 9 36.926 1.593 3.633 67 HD3 PRO 9 HD1 PRO 9 36.352 0.017 3.050 68 H SER 10 HN SER 10 35.330 3.795 1.107 69 HA SER 10 HA SER 10 35.920 5.884 0.470 70 HB2 SER 10 HB2 SER 10 34.138 6.832 2.723 71 HB3 SER 10 HB1 SER 10 34.843 7.869 1.483 72 HG SER 10 HG SER 10 32.691 7.209 0.991 73 H GLY 11 HN GLY 11 36.412 5.025 3.812 74 HA2 GLY 11 HA2 GLY 11 38.397 7.112 4.253 75 HA3 GLY 11 HA1 GLY 11 37.900 5.887 5.406 76 H ARG 12 HN ARG 12 38.948 5.217 2.125 77 HA ARG 12 HA ARG 12 41.504 4.157 3.103 78 HB2 ARG 12 HB2 ARG 12 39.486 2.486 2.632 79 HB3 ARG 12 HB1 ARG 12 40.025 2.671 0.969 80 HG2 ARG 12 HG2 ARG 12 42.076 1.670 1.393 81 HG3 ARG 12 HG1 ARG 12 41.959 1.948 3.132 82 HD2 ARG 12 HD2 ARG 12 40.063 0.333 3.191 83 HD3 ARG 12 HD1 ARG 12 40.364 -0.011 1.488 84 HE ARG 12 HE ARG 12 42.751 -0.368 2.914 85 HH11 ARG 12 HH11 ARG 12 40.212 -3.479 3.003 86 HH12 ARG 12 HH12 ARG 12 39.610 -1.908 2.593 87 HH21 ARG 12 HH21 ARG 12 42.421 -3.774 3.488 88 HH22 ARG 12 HH22 ARG 12 43.514 -2.432 3.452 89 H VAL 13 HN VAL 13 42.989 3.638 1.169 90 HA VAL 13 HA VAL 13 42.988 5.956 -0.591 91 HB VAL 13 HB VAL 13 45.270 5.095 -1.296 92 HG11 VAL 13 HG11 VAL 13 45.010 6.904 0.295 93 HG12 VAL 13 HG12 VAL 13 46.368 5.875 0.754 94 HG13 VAL 13 HG13 VAL 13 44.834 5.747 1.615 95 HG21 VAL 13 HG21 VAL 13 45.003 2.744 -0.630 96 HG22 VAL 13 HG22 VAL 13 44.904 3.234 1.062 97 HG23 VAL 13 HG23 VAL 13 46.398 3.483 0.158 98 H ARG 14 HN ARG 14 42.783 5.944 -2.769 99 HA ARG 14 HA ARG 14 42.044 3.382 -4.013 100 HB2 ARG 14 HB2 ARG 14 40.453 5.478 -3.901 101 HB3 ARG 14 HB1 ARG 14 41.409 6.019 -5.272 102 HG2 ARG 14 HG2 ARG 14 40.880 3.741 -6.311 103 HG3 ARG 14 HG1 ARG 14 39.644 3.604 -5.059 104 HD2 ARG 14 HD2 ARG 14 38.557 4.479 -6.958 105 HD3 ARG 14 HD1 ARG 14 38.772 5.835 -5.857 106 HE ARG 14 HE ARG 14 40.965 5.884 -7.515 107 HH11 ARG 14 HH11 ARG 14 37.630 7.055 -9.425 108 HH12 ARG 14 HH12 ARG 14 37.491 6.083 -7.998 109 HH21 ARG 14 HH21 ARG 14 41.122 7.156 -9.384 110 HH22 ARG 14 HH22 ARG 14 39.685 7.661 -10.209 111 H ARG 15 HN ARG 15 43.023 2.675 -5.802 112 HA ARG 15 HA ARG 15 44.848 4.292 -7.351 113 HB2 ARG 15 HB2 ARG 15 45.831 2.063 -5.574 114 HB3 ARG 15 HB1 ARG 15 46.685 2.481 -7.051 115 HG2 ARG 15 HG2 ARG 15 46.945 4.787 -6.209 116 HG3 ARG 15 HG1 ARG 15 46.168 4.297 -4.703 117 HD2 ARG 15 HD2 ARG 15 48.478 4.200 -4.271 118 HD3 ARG 15 HD1 ARG 15 47.980 2.528 -4.518 119 HE ARG 15 HE ARG 15 48.799 3.345 -6.983 120 HH11 ARG 15 HH11 ARG 15 51.935 3.112 -4.485 121 HH12 ARG 15 HH12 ARG 15 50.344 3.299 -3.830 122 HH21 ARG 15 HH21 ARG 15 50.892 3.100 -7.819 123 HH22 ARG 15 HH22 ARG 15 52.244 2.999 -6.742 124 H LEU 16 HN LEU 16 44.389 3.777 -9.397 125 HA LEU 16 HA LEU 16 43.836 2.675 -11.292 126 HB2 LEU 16 HB2 LEU 16 44.956 0.314 -9.786 127 HB3 LEU 16 HB1 LEU 16 44.451 0.232 -11.462 128 HG LEU 16 HG LEU 16 46.143 2.243 -11.737 129 HD11 LEU 16 HD11 LEU 16 46.671 2.493 -9.385 130 HD12 LEU 16 HD12 LEU 16 48.101 1.968 -10.276 131 HD13 LEU 16 HD13 LEU 16 47.196 0.811 -9.300 132 HD21 LEU 16 HD21 LEU 16 46.306 0.106 -12.884 133 HD22 LEU 16 HD22 LEU 16 46.991 -0.635 -11.439 134 HD23 LEU 16 HD23 LEU 16 47.888 0.618 -12.297 135 H GLY 17 HN GLY 17 41.976 2.612 -8.776 136 HA2 GLY 17 HA2 GLY 17 39.630 2.288 -8.898 137 HA3 GLY 17 HA1 GLY 17 39.889 1.039 -10.103 138 H ILE 18 HN ILE 18 41.926 0.872 -7.344 139 HA ILE 18 HA ILE 18 40.131 -0.953 -5.931 140 HB ILE 18 HB ILE 18 42.036 -2.605 -5.613 141 HG12 ILE 18 HG12 ILE 18 43.445 -2.562 -7.917 142 HG13 ILE 18 HG11 ILE 18 43.257 -0.833 -7.661 143 HG21 ILE 18 HG21 ILE 18 40.816 -2.319 -8.359 144 HG22 ILE 18 HG22 ILE 18 40.076 -3.101 -6.962 145 HG23 ILE 18 HG23 ILE 18 41.519 -3.797 -7.702 146 HD11 ILE 18 HD11 ILE 18 44.461 -2.782 -5.713 147 HD12 ILE 18 HD12 ILE 18 44.276 -1.048 -5.457 148 HD13 ILE 18 HD13 ILE 18 45.344 -1.642 -6.728 149 H CYS 19 HN CYS 19 40.293 -0.898 -3.785 150 HA CYS 19 HA CYS 19 42.107 1.048 -2.603 151 HB2 CYS 19 HB2 CYS 19 40.040 -0.502 -1.068 152 HB3 CYS 19 HB1 CYS 19 40.658 1.115 -0.762 153 H VAL 20 HN VAL 20 43.840 0.558 -1.415 154 HA VAL 20 HA VAL 20 44.176 -2.211 -0.481 155 HB VAL 20 HB VAL 20 46.687 -1.882 -0.862 156 HG11 VAL 20 HG11 VAL 20 46.528 -2.613 -3.208 157 HG12 VAL 20 HG12 VAL 20 44.846 -2.084 -3.251 158 HG13 VAL 20 HG13 VAL 20 45.326 -3.408 -2.190 159 HG21 VAL 20 HG21 VAL 20 45.700 0.282 -2.741 160 HG22 VAL 20 HG22 VAL 20 47.344 -0.349 -2.670 161 HG23 VAL 20 HG23 VAL 20 46.682 0.541 -1.298 162 HA PRO 21 HA PRO 21 45.244 -0.421 3.471 163 HB2 PRO 21 HB2 PRO 21 47.215 -2.447 4.125 164 HB3 PRO 21 HB1 PRO 21 45.555 -2.295 4.722 165 HG2 PRO 21 HG2 PRO 21 46.377 -4.316 3.112 166 HG3 PRO 21 HG1 PRO 21 44.711 -3.705 3.151 167 HD2 PRO 21 HD2 PRO 21 46.886 -3.123 1.180 168 HD3 PRO 21 HD1 PRO 21 45.160 -3.433 0.902 169 H ASP 22 HN ASP 22 46.851 0.647 4.719 170 HA ASP 22 HA ASP 22 49.310 1.265 3.220 171 HB2 ASP 22 HB2 ASP 22 47.680 2.960 5.115 172 HB3 ASP 22 HB1 ASP 22 49.298 3.407 4.583 173 H ASP 23 HN ASP 23 48.049 0.902 6.539 174 HA ASP 23 HA ASP 23 50.641 -0.207 7.349 175 HB2 ASP 23 HB2 ASP 23 49.153 2.007 8.770 176 HB3 ASP 23 HB1 ASP 23 50.403 1.043 9.549 177 H ASP 24 HN ASP 24 47.254 0.349 8.293 178 HA ASP 24 HA ASP 24 47.169 -2.375 9.395 179 HB2 ASP 24 HB2 ASP 24 47.315 -0.416 11.133 180 HB3 ASP 24 HB1 ASP 24 45.622 -0.172 10.727 181 H TYR 25 HN TYR 25 45.305 0.413 8.224 182 HA TYR 25 HA TYR 25 43.220 -1.445 7.282 183 HB2 TYR 25 HB2 TYR 25 42.658 0.330 9.101 184 HB3 TYR 25 HB1 TYR 25 42.719 1.483 7.774 185 HD1 TYR 25 HD1 TYR 25 41.005 1.499 6.060 186 HD2 TYR 25 HD2 TYR 25 40.885 -1.343 9.225 187 HE1 TYR 25 HE1 TYR 25 38.674 0.964 5.485 188 HE2 TYR 25 HE2 TYR 25 38.555 -1.886 8.658 189 HH TYR 25 HH TYR 25 36.642 -0.827 7.519 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 25.908 -11.924 -4.532 2 H2 PHE 1 HT2 PHE 1 26.996 -10.658 -4.262 3 H3 PHE 1 HT3 PHE 1 25.697 -10.893 -3.208 4 HA PHE 1 HA PHE 1 26.581 -12.977 -2.476 5 HB2 PHE 1 HB2 PHE 1 28.921 -13.599 -3.198 6 HB3 PHE 1 HB1 PHE 1 27.684 -13.783 -4.433 7 HD1 PHE 1 HD1 PHE 1 27.614 -12.266 -6.352 8 HD2 PHE 1 HD2 PHE 1 30.693 -12.002 -3.427 9 HE1 PHE 1 HE1 PHE 1 28.956 -10.899 -7.896 10 HE2 PHE 1 HE2 PHE 1 32.042 -10.634 -4.966 11 HZ PHE 1 HZ PHE 1 31.173 -10.080 -7.204 12 H GLY 2 HN GLY 2 28.438 -10.039 -3.183 13 HA2 GLY 2 HA2 GLY 2 29.058 -9.833 -0.308 14 HA3 GLY 2 HA1 GLY 2 30.327 -9.604 -1.502 15 H VAL 3 HN VAL 3 30.782 -7.565 -1.919 16 HA VAL 3 HA VAL 3 28.633 -5.601 -2.125 17 HB VAL 3 HB VAL 3 30.089 -3.913 -0.864 18 HG11 VAL 3 HG11 VAL 3 29.143 -4.560 1.304 19 HG12 VAL 3 HG12 VAL 3 28.773 -6.157 0.656 20 HG13 VAL 3 HG13 VAL 3 27.977 -4.731 -0.008 21 HG21 VAL 3 HG21 VAL 3 31.539 -4.809 0.903 22 HG22 VAL 3 HG22 VAL 3 32.149 -5.224 -0.699 23 HG23 VAL 3 HG23 VAL 3 31.311 -6.439 0.268 24 H LYS 4 HN LYS 4 28.805 -4.832 -4.095 25 HA LYS 4 HA LYS 4 31.411 -4.585 -5.384 26 HB2 LYS 4 HB2 LYS 4 28.575 -4.599 -6.367 27 HB3 LYS 4 HB1 LYS 4 29.869 -3.993 -7.384 28 HG2 LYS 4 HG2 LYS 4 31.009 -6.149 -7.231 29 HG3 LYS 4 HG1 LYS 4 29.710 -6.755 -6.202 30 HD2 LYS 4 HD2 LYS 4 28.109 -6.411 -8.021 31 HD3 LYS 4 HD1 LYS 4 29.405 -5.795 -9.047 32 HE2 LYS 4 HE2 LYS 4 30.543 -7.957 -8.903 33 HE3 LYS 4 HE1 LYS 4 29.251 -8.570 -7.873 34 HZ1 LYS 4 HZ1 LYS 4 28.935 -7.657 -10.681 35 HZ2 LYS 4 HZ2 LYS 4 27.695 -8.246 -9.694 36 HZ3 LYS 4 HZ3 LYS 4 28.958 -9.268 -10.164 37 H ASP 5 HN ASP 5 28.642 -2.611 -4.412 38 HA ASP 5 HA ASP 5 29.859 -0.174 -5.421 39 HB2 ASP 5 HB2 ASP 5 27.213 -0.825 -4.143 40 HB3 ASP 5 HB1 ASP 5 27.732 0.834 -4.392 41 H GLY 6 HN GLY 6 29.135 -1.720 -2.328 42 HA2 GLY 6 HA2 GLY 6 30.527 0.481 -0.936 43 HA3 GLY 6 HA1 GLY 6 29.309 -0.545 -0.198 44 H LYS 7 HN LYS 7 32.469 -0.750 -1.784 45 HA LYS 7 HA LYS 7 33.150 -3.097 -0.181 46 HB2 LYS 7 HB2 LYS 7 33.562 -2.751 -2.766 47 HB3 LYS 7 HB1 LYS 7 35.005 -1.915 -2.214 48 HG2 LYS 7 HG2 LYS 7 35.719 -3.929 -1.025 49 HG3 LYS 7 HG1 LYS 7 34.269 -4.768 -1.580 50 HD2 LYS 7 HD2 LYS 7 34.981 -4.456 -3.903 51 HD3 LYS 7 HD1 LYS 7 36.432 -3.620 -3.346 52 HE2 LYS 7 HE2 LYS 7 35.753 -6.436 -2.528 53 HE3 LYS 7 HE1 LYS 7 36.701 -6.065 -3.967 54 HZ1 LYS 7 HZ1 LYS 7 38.121 -6.551 -2.079 55 HZ2 LYS 7 HZ2 LYS 7 37.410 -5.306 -1.182 56 HZ3 LYS 7 HZ3 LYS 7 38.320 -4.941 -2.561 57 H CYS 8 HN CYS 8 34.552 0.098 -0.982 58 HA CYS 8 HA CYS 8 36.327 -0.072 1.314 59 HB2 CYS 8 HB2 CYS 8 36.238 2.284 -0.523 60 HB3 CYS 8 HB1 CYS 8 37.608 1.563 0.301 61 HA PRO 9 HA PRO 9 33.351 2.486 3.601 62 HB2 PRO 9 HB2 PRO 9 35.295 2.628 5.775 63 HB3 PRO 9 HB1 PRO 9 33.747 1.772 5.727 64 HG2 PRO 9 HG2 PRO 9 36.113 0.490 5.798 65 HG3 PRO 9 HG1 PRO 9 34.681 -0.169 4.981 66 HD2 PRO 9 HD2 PRO 9 37.041 1.236 3.793 67 HD3 PRO 9 HD1 PRO 9 36.191 -0.220 3.233 68 H SER 10 HN SER 10 35.222 3.777 1.748 69 HA SER 10 HA SER 10 35.859 5.857 1.125 70 HB2 SER 10 HB2 SER 10 34.594 6.779 3.715 71 HB3 SER 10 HB1 SER 10 35.147 7.841 2.421 72 HG SER 10 HG SER 10 33.343 5.769 1.841 73 H GLY 11 HN GLY 11 36.999 4.520 4.058 74 HA2 GLY 11 HA2 GLY 11 39.157 6.489 4.319 75 HA3 GLY 11 HA1 GLY 11 38.777 5.213 5.464 76 H ARG 12 HN ARG 12 39.335 5.058 1.960 77 HA ARG 12 HA ARG 12 41.779 3.492 2.424 78 HB2 ARG 12 HB2 ARG 12 39.530 2.702 0.554 79 HB3 ARG 12 HB1 ARG 12 41.097 1.914 0.620 80 HG2 ARG 12 HG2 ARG 12 40.499 1.565 3.136 81 HG3 ARG 12 HG1 ARG 12 38.852 1.826 2.578 82 HD2 ARG 12 HD2 ARG 12 39.060 -0.009 1.009 83 HD3 ARG 12 HD1 ARG 12 40.750 -0.230 1.457 84 HE ARG 12 HE ARG 12 39.251 -0.459 3.783 85 HH11 ARG 12 HH11 ARG 12 39.124 -3.731 1.455 86 HH12 ARG 12 HH12 ARG 12 39.567 -2.211 0.754 87 HH21 ARG 12 HH21 ARG 12 38.619 -3.871 3.675 88 HH22 ARG 12 HH22 ARG 12 38.673 -2.461 4.677 89 H VAL 13 HN VAL 13 43.200 3.376 0.553 90 HA VAL 13 HA VAL 13 43.132 5.852 -0.983 91 HB VAL 13 HB VAL 13 45.438 5.131 -1.766 92 HG11 VAL 13 HG11 VAL 13 46.521 5.769 0.338 93 HG12 VAL 13 HG12 VAL 13 44.997 5.514 1.191 94 HG13 VAL 13 HG13 VAL 13 45.125 6.786 -0.025 95 HG21 VAL 13 HG21 VAL 13 45.253 2.726 -1.301 96 HG22 VAL 13 HG22 VAL 13 45.151 3.067 0.426 97 HG23 VAL 13 HG23 VAL 13 46.628 3.442 -0.461 98 H ARG 14 HN ARG 14 42.373 5.966 -2.971 99 HA ARG 14 HA ARG 14 41.916 3.499 -4.472 100 HB2 ARG 14 HB2 ARG 14 40.792 6.282 -4.699 101 HB3 ARG 14 HB1 ARG 14 40.569 5.092 -5.972 102 HG2 ARG 14 HG2 ARG 14 39.820 4.370 -3.178 103 HG3 ARG 14 HG1 ARG 14 38.757 5.426 -4.107 104 HD2 ARG 14 HD2 ARG 14 39.732 2.765 -5.130 105 HD3 ARG 14 HD1 ARG 14 38.242 2.949 -4.207 106 HE ARG 14 HE ARG 14 38.069 4.757 -6.279 107 HH11 ARG 14 HH11 ARG 14 37.552 0.972 -7.519 108 HH12 ARG 14 HH12 ARG 14 38.383 1.268 -6.029 109 HH21 ARG 14 HH21 ARG 14 36.983 4.345 -8.225 110 HH22 ARG 14 HH22 ARG 14 36.761 2.713 -8.761 111 H ARG 15 HN ARG 15 43.438 2.889 -5.787 112 HA ARG 15 HA ARG 15 44.609 4.770 -7.688 113 HB2 ARG 15 HB2 ARG 15 46.184 2.954 -5.856 114 HB3 ARG 15 HB1 ARG 15 46.855 3.601 -7.344 115 HG2 ARG 15 HG2 ARG 15 46.508 5.877 -6.508 116 HG3 ARG 15 HG1 ARG 15 45.853 5.219 -5.008 117 HD2 ARG 15 HD2 ARG 15 48.097 5.742 -4.532 118 HD3 ARG 15 HD1 ARG 15 48.061 3.993 -4.752 119 HE ARG 15 HE ARG 15 48.682 5.072 -7.221 120 HH11 ARG 15 HH11 ARG 15 51.770 5.187 -4.654 121 HH12 ARG 15 HH12 ARG 15 50.159 5.052 -4.034 122 HH21 ARG 15 HH21 ARG 15 50.800 5.247 -8.010 123 HH22 ARG 15 HH22 ARG 15 52.131 5.297 -6.903 124 H LEU 16 HN LEU 16 44.552 3.958 -9.700 125 HA LEU 16 HA LEU 16 44.348 2.580 -11.477 126 HB2 LEU 16 HB2 LEU 16 45.517 0.578 -9.557 127 HB3 LEU 16 HB1 LEU 16 45.111 0.155 -11.208 128 HG LEU 16 HG LEU 16 46.652 2.185 -11.817 129 HD11 LEU 16 HD11 LEU 16 47.004 3.028 -9.585 130 HD12 LEU 16 HD12 LEU 16 48.530 2.422 -10.231 131 HD13 LEU 16 HD13 LEU 16 47.627 1.464 -9.057 132 HD21 LEU 16 HD21 LEU 16 48.576 0.666 -11.893 133 HD22 LEU 16 HD22 LEU 16 47.093 -0.114 -12.442 134 HD23 LEU 16 HD23 LEU 16 47.723 -0.454 -10.830 135 H GLY 17 HN GLY 17 42.288 2.567 -9.051 136 HA2 GLY 17 HA2 GLY 17 39.988 2.063 -9.298 137 HA3 GLY 17 HA1 GLY 17 40.407 0.810 -10.452 138 H ILE 18 HN ILE 18 42.298 0.788 -7.601 139 HA ILE 18 HA ILE 18 40.538 -1.187 -6.321 140 HB ILE 18 HB ILE 18 42.244 -2.384 -7.687 141 HG12 ILE 18 HG12 ILE 18 43.225 -3.717 -5.616 142 HG13 ILE 18 HG11 ILE 18 42.074 -2.729 -4.724 143 HG21 ILE 18 HG21 ILE 18 44.119 -0.842 -7.523 144 HG22 ILE 18 HG22 ILE 18 44.595 -2.448 -6.967 145 HG23 ILE 18 HG23 ILE 18 44.264 -1.172 -5.795 146 HD11 ILE 18 HD11 ILE 18 40.262 -3.586 -6.117 147 HD12 ILE 18 HD12 ILE 18 41.128 -4.890 -5.303 148 HD13 ILE 18 HD13 ILE 18 41.418 -4.573 -7.014 149 H CYS 19 HN CYS 19 40.549 -1.217 -4.101 150 HA CYS 19 HA CYS 19 41.774 1.079 -2.792 151 HB2 CYS 19 HB2 CYS 19 39.693 -0.929 -1.948 152 HB3 CYS 19 HB1 CYS 19 40.410 0.197 -0.805 153 H VAL 20 HN VAL 20 43.358 1.010 -1.308 154 HA VAL 20 HA VAL 20 44.400 -1.636 -0.517 155 HB VAL 20 HB VAL 20 46.234 0.736 -0.708 156 HG11 VAL 20 HG11 VAL 20 46.682 -2.243 -0.979 157 HG12 VAL 20 HG12 VAL 20 47.041 -1.264 0.442 158 HG13 VAL 20 HG13 VAL 20 47.941 -1.009 -1.055 159 HG21 VAL 20 HG21 VAL 20 45.208 0.601 -2.929 160 HG22 VAL 20 HG22 VAL 20 45.593 -1.117 -3.013 161 HG23 VAL 20 HG23 VAL 20 46.892 0.075 -2.987 162 HA PRO 21 HA PRO 21 43.624 0.061 3.607 163 HB2 PRO 21 HB2 PRO 21 45.099 -2.226 4.693 164 HB3 PRO 21 HB1 PRO 21 43.377 -1.840 4.841 165 HG2 PRO 21 HG2 PRO 21 44.250 -3.921 3.395 166 HG3 PRO 21 HG1 PRO 21 42.805 -2.989 2.952 167 HD2 PRO 21 HD2 PRO 21 45.571 -2.827 1.817 168 HD3 PRO 21 HD1 PRO 21 44.003 -2.808 0.984 169 H ASP 22 HN ASP 22 44.718 1.234 5.115 170 HA ASP 22 HA ASP 22 47.603 1.554 4.702 171 HB2 ASP 22 HB2 ASP 22 45.527 3.332 5.983 172 HB3 ASP 22 HB1 ASP 22 47.252 3.666 6.071 173 H ASP 23 HN ASP 23 45.425 0.146 6.888 174 HA ASP 23 HA ASP 23 47.177 0.394 9.207 175 HB2 ASP 23 HB2 ASP 23 44.445 -0.835 8.828 176 HB3 ASP 23 HB1 ASP 23 45.353 -0.971 10.331 177 H ASP 24 HN ASP 24 46.033 -2.076 6.947 178 HA ASP 24 HA ASP 24 47.564 -4.164 8.266 179 HB2 ASP 24 HB2 ASP 24 45.635 -4.119 5.957 180 HB3 ASP 24 HB1 ASP 24 46.604 -5.538 6.319 181 H TYR 25 HN TYR 25 47.570 -2.373 5.204 182 HA TYR 25 HA TYR 25 50.209 -3.527 4.584 183 HB2 TYR 25 HB2 TYR 25 48.055 -2.461 2.753 184 HB3 TYR 25 HB1 TYR 25 49.697 -2.785 2.209 185 HD1 TYR 25 HD1 TYR 25 46.555 -4.292 3.360 186 HD2 TYR 25 HD2 TYR 25 50.492 -5.054 1.937 187 HE1 TYR 25 HE1 TYR 25 45.948 -6.641 2.957 188 HE2 TYR 25 HE2 TYR 25 49.895 -7.405 1.531 189 HH TYR 25 HH TYR 25 48.248 -9.051 2.319 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 25.666 -10.603 -3.803 2 H2 PHE 1 HT2 PHE 1 24.675 -11.835 -3.201 3 H3 PHE 1 HT3 PHE 1 26.341 -12.088 -3.351 4 HA PHE 1 HA PHE 1 25.053 -10.126 -1.550 5 HB2 PHE 1 HB2 PHE 1 25.940 -11.635 0.268 6 HB3 PHE 1 HB1 PHE 1 24.613 -12.303 -0.670 7 HD1 PHE 1 HD1 PHE 1 24.956 -14.199 -2.134 8 HD2 PHE 1 HD2 PHE 1 28.177 -12.556 0.111 9 HE1 PHE 1 HE1 PHE 1 26.295 -16.214 -2.587 10 HE2 PHE 1 HE2 PHE 1 29.521 -14.568 -0.339 11 HZ PHE 1 HZ PHE 1 28.581 -16.399 -1.690 12 H GLY 2 HN GLY 2 26.398 -8.815 -0.381 13 HA2 GLY 2 HA2 GLY 2 28.992 -8.848 0.236 14 HA3 GLY 2 HA1 GLY 2 29.075 -8.469 -1.477 15 H VAL 3 HN VAL 3 30.203 -6.572 -0.392 16 HA VAL 3 HA VAL 3 28.319 -4.369 -0.279 17 HB VAL 3 HB VAL 3 28.579 -5.027 2.087 18 HG11 VAL 3 HG11 VAL 3 30.811 -5.960 2.090 19 HG12 VAL 3 HG12 VAL 3 30.684 -4.679 3.295 20 HG13 VAL 3 HG13 VAL 3 31.503 -4.371 1.764 21 HG21 VAL 3 HG21 VAL 3 28.099 -2.711 1.594 22 HG22 VAL 3 HG22 VAL 3 29.821 -2.358 1.439 23 HG23 VAL 3 HG23 VAL 3 29.153 -2.822 3.005 24 H LYS 4 HN LYS 4 28.978 -2.946 -1.694 25 HA LYS 4 HA LYS 4 31.790 -2.815 -2.483 26 HB2 LYS 4 HB2 LYS 4 29.675 -2.963 -4.065 27 HB3 LYS 4 HB1 LYS 4 29.642 -1.222 -3.832 28 HG2 LYS 4 HG2 LYS 4 30.896 -1.372 -5.742 29 HG3 LYS 4 HG1 LYS 4 32.170 -1.394 -4.522 30 HD2 LYS 4 HD2 LYS 4 32.250 -3.837 -4.648 31 HD3 LYS 4 HD1 LYS 4 30.963 -3.821 -5.854 32 HE2 LYS 4 HE2 LYS 4 32.401 -2.534 -7.363 33 HE3 LYS 4 HE1 LYS 4 33.687 -2.560 -6.157 34 HZ1 LYS 4 HZ1 LYS 4 34.019 -4.259 -7.839 35 HZ2 LYS 4 HZ2 LYS 4 32.515 -4.945 -7.486 36 HZ3 LYS 4 HZ3 LYS 4 33.749 -4.971 -6.328 37 H ASP 5 HN ASP 5 29.170 -0.672 -1.377 38 HA ASP 5 HA ASP 5 31.080 1.499 -0.957 39 HB2 ASP 5 HB2 ASP 5 28.078 1.349 -1.071 40 HB3 ASP 5 HB1 ASP 5 28.896 2.753 -0.403 41 H GLY 6 HN GLY 6 31.533 2.354 1.025 42 HA2 GLY 6 HA2 GLY 6 31.102 2.712 3.354 43 HA3 GLY 6 HA1 GLY 6 30.200 1.206 3.384 44 H LYS 7 HN LYS 7 32.538 0.025 1.740 45 HA LYS 7 HA LYS 7 34.124 -0.733 4.075 46 HB2 LYS 7 HB2 LYS 7 33.010 -2.366 2.366 47 HB3 LYS 7 HB1 LYS 7 34.398 -1.987 1.359 48 HG2 LYS 7 HG2 LYS 7 35.897 -2.795 3.111 49 HG3 LYS 7 HG1 LYS 7 34.506 -3.160 4.136 50 HD2 LYS 7 HD2 LYS 7 33.701 -4.761 2.473 51 HD3 LYS 7 HD1 LYS 7 35.079 -4.387 1.437 52 HE2 LYS 7 HE2 LYS 7 36.600 -5.193 3.177 53 HE3 LYS 7 HE1 LYS 7 35.221 -5.571 4.209 54 HZ1 LYS 7 HZ1 LYS 7 36.034 -7.535 3.066 55 HZ2 LYS 7 HZ2 LYS 7 35.792 -6.799 1.564 56 HZ3 LYS 7 HZ3 LYS 7 34.466 -7.161 2.551 57 H CYS 8 HN CYS 8 34.606 0.434 0.738 58 HA CYS 8 HA CYS 8 37.382 1.078 1.405 59 HB2 CYS 8 HB2 CYS 8 35.997 0.377 -1.123 60 HB3 CYS 8 HB1 CYS 8 37.332 1.516 -1.228 61 HA PRO 9 HA PRO 9 35.751 5.300 -0.282 62 HB2 PRO 9 HB2 PRO 9 32.839 5.283 -0.283 63 HB3 PRO 9 HB1 PRO 9 33.944 5.561 -1.640 64 HG2 PRO 9 HG2 PRO 9 32.372 3.375 -1.462 65 HG3 PRO 9 HG1 PRO 9 33.954 3.372 -2.269 66 HD2 PRO 9 HD2 PRO 9 33.246 2.428 0.486 67 HD3 PRO 9 HD1 PRO 9 34.268 1.654 -0.739 68 H SER 10 HN SER 10 35.673 4.054 2.462 69 HA SER 10 HA SER 10 34.203 6.184 3.876 70 HB2 SER 10 HB2 SER 10 34.890 3.402 4.855 71 HB3 SER 10 HB1 SER 10 34.080 4.644 5.809 72 HG SER 10 HG SER 10 33.131 3.344 3.477 73 H GLY 11 HN GLY 11 37.143 4.196 3.895 74 HA2 GLY 11 HA2 GLY 11 38.752 6.410 4.780 75 HA3 GLY 11 HA1 GLY 11 38.556 5.173 6.013 76 H ARG 12 HN ARG 12 38.800 4.723 2.521 77 HA ARG 12 HA ARG 12 41.394 3.384 2.863 78 HB2 ARG 12 HB2 ARG 12 39.154 1.985 2.511 79 HB3 ARG 12 HB1 ARG 12 39.445 2.394 0.828 80 HG2 ARG 12 HG2 ARG 12 40.562 0.428 0.905 81 HG3 ARG 12 HG1 ARG 12 41.862 1.492 1.435 82 HD2 ARG 12 HD2 ARG 12 41.357 0.984 3.762 83 HD3 ARG 12 HD1 ARG 12 40.016 -0.043 3.258 84 HE ARG 12 HE ARG 12 42.516 -0.836 2.109 85 HH11 ARG 12 HH11 ARG 12 41.244 -2.643 5.463 86 HH12 ARG 12 HH12 ARG 12 40.524 -1.141 4.985 87 HH21 ARG 12 HH21 ARG 12 42.894 -3.581 4.201 88 HH22 ARG 12 HH22 ARG 12 43.441 -2.802 2.754 89 H VAL 13 HN VAL 13 42.759 3.412 0.991 90 HA VAL 13 HA VAL 13 42.352 5.755 -0.682 91 HB VAL 13 HB VAL 13 44.527 5.367 0.493 92 HG11 VAL 13 HG11 VAL 13 44.893 3.129 -1.492 93 HG12 VAL 13 HG12 VAL 13 44.774 2.976 0.261 94 HG13 VAL 13 HG13 VAL 13 46.159 3.796 -0.459 95 HG21 VAL 13 HG21 VAL 13 45.966 6.025 -1.384 96 HG22 VAL 13 HG22 VAL 13 44.432 6.893 -1.380 97 HG23 VAL 13 HG23 VAL 13 44.690 5.564 -2.511 98 H ARG 14 HN ARG 14 42.003 5.753 -2.837 99 HA ARG 14 HA ARG 14 41.683 3.137 -4.156 100 HB2 ARG 14 HB2 ARG 14 40.154 5.715 -4.494 101 HB3 ARG 14 HB1 ARG 14 40.076 4.418 -5.677 102 HG2 ARG 14 HG2 ARG 14 39.512 3.762 -2.831 103 HG3 ARG 14 HG1 ARG 14 38.289 4.640 -3.751 104 HD2 ARG 14 HD2 ARG 14 39.549 2.082 -4.724 105 HD3 ARG 14 HD1 ARG 14 38.092 2.111 -3.730 106 HE ARG 14 HE ARG 14 37.855 3.784 -6.032 107 HH11 ARG 14 HH11 ARG 14 36.555 -0.008 -6.282 108 HH12 ARG 14 HH12 ARG 14 37.627 0.436 -4.996 109 HH21 ARG 14 HH21 ARG 14 36.451 3.181 -7.706 110 HH22 ARG 14 HH22 ARG 14 35.890 1.545 -7.814 111 H ARG 15 HN ARG 15 43.188 2.713 -5.590 112 HA ARG 15 HA ARG 15 44.126 4.821 -7.398 113 HB2 ARG 15 HB2 ARG 15 45.864 2.995 -5.743 114 HB3 ARG 15 HB1 ARG 15 46.453 3.757 -7.212 115 HG2 ARG 15 HG2 ARG 15 45.969 5.963 -6.238 116 HG3 ARG 15 HG1 ARG 15 45.445 5.171 -4.752 117 HD2 ARG 15 HD2 ARG 15 47.671 4.211 -4.472 118 HD3 ARG 15 HD1 ARG 15 48.196 4.973 -5.972 119 HE ARG 15 HE ARG 15 47.166 6.876 -4.115 120 HH11 ARG 15 HH11 ARG 15 51.114 6.136 -4.092 121 HH12 ARG 15 HH12 ARG 15 50.047 5.013 -4.865 122 HH21 ARG 15 HH21 ARG 15 48.582 8.332 -3.108 123 HH22 ARG 15 HH22 ARG 15 50.286 8.014 -3.100 124 H LEU 16 HN LEU 16 43.930 4.200 -9.457 125 HA LEU 16 HA LEU 16 43.739 2.990 -11.357 126 HB2 LEU 16 HB2 LEU 16 45.307 0.971 -9.761 127 HB3 LEU 16 HB1 LEU 16 44.842 0.698 -11.428 128 HG LEU 16 HG LEU 16 46.055 2.995 -11.836 129 HD11 LEU 16 HD11 LEU 16 47.336 2.037 -9.280 130 HD12 LEU 16 HD12 LEU 16 46.472 3.556 -9.525 131 HD13 LEU 16 HD13 LEU 16 48.003 3.271 -10.352 132 HD21 LEU 16 HD21 LEU 16 46.727 0.876 -12.813 133 HD22 LEU 16 HD22 LEU 16 47.531 0.419 -11.311 134 HD23 LEU 16 HD23 LEU 16 48.138 1.776 -12.258 135 H GLY 17 HN GLY 17 42.020 2.266 -8.677 136 HA2 GLY 17 HA2 GLY 17 39.716 1.520 -9.084 137 HA3 GLY 17 HA1 GLY 17 40.384 0.267 -10.115 138 H ILE 18 HN ILE 18 42.582 -0.224 -8.127 139 HA ILE 18 HA ILE 18 41.059 -2.043 -6.428 140 HB ILE 18 HB ILE 18 43.305 -3.002 -5.801 141 HG12 ILE 18 HG12 ILE 18 44.554 -1.780 -8.213 142 HG13 ILE 18 HG11 ILE 18 44.433 -0.747 -6.793 143 HG21 ILE 18 HG21 ILE 18 43.561 -4.211 -7.935 144 HG22 ILE 18 HG22 ILE 18 42.541 -3.009 -8.725 145 HG23 ILE 18 HG23 ILE 18 41.867 -4.044 -7.465 146 HD11 ILE 18 HD11 ILE 18 45.775 -3.439 -6.910 147 HD12 ILE 18 HD12 ILE 18 45.655 -2.406 -5.485 148 HD13 ILE 18 HD13 ILE 18 46.580 -1.869 -6.888 149 H CYS 19 HN CYS 19 41.474 -2.290 -4.168 150 HA CYS 19 HA CYS 19 41.971 0.271 -2.847 151 HB2 CYS 19 HB2 CYS 19 40.619 -2.276 -1.976 152 HB3 CYS 19 HB1 CYS 19 41.021 -1.001 -0.834 153 H VAL 20 HN VAL 20 43.620 0.642 -1.490 154 HA VAL 20 HA VAL 20 45.522 -1.557 -1.006 155 HB VAL 20 HB VAL 20 46.268 1.367 -0.851 156 HG11 VAL 20 HG11 VAL 20 47.897 -1.135 -1.346 157 HG12 VAL 20 HG12 VAL 20 47.841 -0.207 0.153 158 HG13 VAL 20 HG13 VAL 20 48.539 0.507 -1.303 159 HG21 VAL 20 HG21 VAL 20 46.427 -0.380 -3.319 160 HG22 VAL 20 HG22 VAL 20 47.128 1.230 -3.156 161 HG23 VAL 20 HG23 VAL 20 45.377 1.021 -3.106 162 HA PRO 21 HA PRO 21 44.455 -1.045 3.354 163 HB2 PRO 21 HB2 PRO 21 47.012 -2.335 4.025 164 HB3 PRO 21 HB1 PRO 21 45.359 -2.903 4.322 165 HG2 PRO 21 HG2 PRO 21 46.949 -4.084 2.529 166 HG3 PRO 21 HG1 PRO 21 45.194 -3.945 2.292 167 HD2 PRO 21 HD2 PRO 21 47.395 -2.315 1.082 168 HD3 PRO 21 HD1 PRO 21 45.922 -2.966 0.332 169 H ASP 22 HN ASP 22 45.051 0.137 5.181 170 HA ASP 22 HA ASP 22 47.497 1.757 4.972 171 HB2 ASP 22 HB2 ASP 22 44.716 2.729 5.656 172 HB3 ASP 22 HB1 ASP 22 46.172 3.673 5.950 173 H ASP 23 HN ASP 23 48.755 1.181 6.628 174 HA ASP 23 HA ASP 23 47.509 0.592 9.231 175 HB2 ASP 23 HB2 ASP 23 50.078 -0.409 8.000 176 HB3 ASP 23 HB1 ASP 23 49.692 -0.621 9.705 177 H ASP 24 HN ASP 24 50.203 2.278 7.661 178 HA ASP 24 HA ASP 24 50.988 3.550 10.155 179 HB2 ASP 24 HB2 ASP 24 52.142 3.492 7.377 180 HB3 ASP 24 HB1 ASP 24 52.723 4.624 8.588 181 H TYR 25 HN TYR 25 49.674 4.462 6.983 182 HA TYR 25 HA TYR 25 48.802 7.012 8.156 183 HB2 TYR 25 HB2 TYR 25 49.183 8.078 5.896 184 HB3 TYR 25 HB1 TYR 25 50.640 7.646 6.777 185 HD1 TYR 25 HD1 TYR 25 51.982 5.675 6.043 186 HD2 TYR 25 HD2 TYR 25 48.686 7.116 3.770 187 HE1 TYR 25 HE1 TYR 25 52.795 4.431 4.084 188 HE2 TYR 25 HE2 TYR 25 49.490 5.874 1.806 189 HH TYR 25 HH TYR 25 51.905 3.497 1.994 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 20.691 -5.951 3.014 2 H2 PHE 1 HT2 PHE 1 20.577 -5.219 4.535 3 H3 PHE 1 HT3 PHE 1 21.269 -6.755 4.386 4 HA PHE 1 HA PHE 1 22.362 -4.252 3.242 5 HB2 PHE 1 HB2 PHE 1 23.179 -5.899 5.643 6 HB3 PHE 1 HB1 PHE 1 24.217 -4.683 4.909 7 HD1 PHE 1 HD1 PHE 1 23.724 -2.325 5.131 8 HD2 PHE 1 HD2 PHE 1 21.215 -5.271 6.906 9 HE1 PHE 1 HE1 PHE 1 22.663 -0.585 6.510 10 HE2 PHE 1 HE2 PHE 1 20.150 -3.535 8.287 11 HZ PHE 1 HZ PHE 1 20.874 -1.190 8.090 12 H GLY 2 HN GLY 2 24.204 -4.452 2.015 13 HA2 GLY 2 HA2 GLY 2 25.351 -7.099 1.560 14 HA3 GLY 2 HA1 GLY 2 24.589 -6.322 0.183 15 H VAL 3 HN VAL 3 25.579 -4.594 -0.815 16 HA VAL 3 HA VAL 3 28.128 -3.640 0.239 17 HB VAL 3 HB VAL 3 29.143 -3.838 -2.104 18 HG11 VAL 3 HG11 VAL 3 28.655 -6.334 -0.489 19 HG12 VAL 3 HG12 VAL 3 29.923 -5.138 -0.218 20 HG13 VAL 3 HG13 VAL 3 29.935 -6.120 -1.683 21 HG21 VAL 3 HG21 VAL 3 28.353 -5.707 -3.493 22 HG22 VAL 3 HG22 VAL 3 27.130 -4.443 -3.355 23 HG23 VAL 3 HG23 VAL 3 26.976 -5.925 -2.413 24 H LYS 4 HN LYS 4 27.885 -1.533 0.369 25 HA LYS 4 HA LYS 4 26.276 -0.098 -1.600 26 HB2 LYS 4 HB2 LYS 4 27.253 0.531 1.166 27 HB3 LYS 4 HB1 LYS 4 26.713 1.817 0.101 28 HG2 LYS 4 HG2 LYS 4 24.530 0.733 -0.105 29 HG3 LYS 4 HG1 LYS 4 25.076 -0.554 0.972 30 HD2 LYS 4 HD2 LYS 4 25.407 1.085 2.759 31 HD3 LYS 4 HD1 LYS 4 24.866 2.373 1.681 32 HE2 LYS 4 HE2 LYS 4 22.679 1.289 1.489 33 HE3 LYS 4 HE1 LYS 4 23.221 0.004 2.569 34 HZ1 LYS 4 HZ1 LYS 4 21.914 1.658 3.745 35 HZ2 LYS 4 HZ2 LYS 4 22.989 2.879 3.282 36 HZ3 LYS 4 HZ3 LYS 4 23.507 1.648 4.319 37 H ASP 5 HN ASP 5 29.528 -0.073 -0.173 38 HA ASP 5 HA ASP 5 30.397 1.887 -2.175 39 HB2 ASP 5 HB2 ASP 5 30.873 2.049 0.399 40 HB3 ASP 5 HB1 ASP 5 32.151 0.891 0.051 41 H GLY 6 HN GLY 6 31.290 -1.302 -0.852 42 HA2 GLY 6 HA2 GLY 6 31.737 -2.878 -2.859 43 HA3 GLY 6 HA1 GLY 6 33.049 -1.751 -3.165 44 H LYS 7 HN LYS 7 34.719 -1.540 -1.549 45 HA LYS 7 HA LYS 7 34.974 -3.886 0.209 46 HB2 LYS 7 HB2 LYS 7 36.745 -2.937 -1.941 47 HB3 LYS 7 HB1 LYS 7 37.563 -3.310 -0.433 48 HG2 LYS 7 HG2 LYS 7 36.627 -5.551 -0.457 49 HG3 LYS 7 HG1 LYS 7 35.758 -5.181 -1.948 50 HD2 LYS 7 HD2 LYS 7 37.889 -4.814 -3.097 51 HD3 LYS 7 HD1 LYS 7 38.757 -5.178 -1.605 52 HE2 LYS 7 HE2 LYS 7 37.808 -7.436 -1.610 53 HE3 LYS 7 HE1 LYS 7 36.947 -7.070 -3.104 54 HZ1 LYS 7 HZ1 LYS 7 39.076 -6.741 -4.202 55 HZ2 LYS 7 HZ2 LYS 7 38.979 -8.293 -3.538 56 HZ3 LYS 7 HZ3 LYS 7 39.898 -7.101 -2.768 57 H CYS 8 HN CYS 8 36.075 -0.571 -0.440 58 HA CYS 8 HA CYS 8 36.952 -0.316 2.337 59 HB2 CYS 8 HB2 CYS 8 37.788 1.975 1.389 60 HB3 CYS 8 HB1 CYS 8 38.673 0.498 1.020 61 HA PRO 9 HA PRO 9 33.376 2.227 3.252 62 HB2 PRO 9 HB2 PRO 9 34.572 3.390 5.586 63 HB3 PRO 9 HB1 PRO 9 33.486 1.994 5.512 64 HG2 PRO 9 HG2 PRO 9 36.124 1.881 6.280 65 HG3 PRO 9 HG1 PRO 9 35.180 0.508 5.675 66 HD2 PRO 9 HD2 PRO 9 37.145 2.230 4.224 67 HD3 PRO 9 HD1 PRO 9 36.876 0.479 4.119 68 H SER 10 HN SER 10 35.341 3.425 1.436 69 HA SER 10 HA SER 10 35.674 5.378 0.341 70 HB2 SER 10 HB2 SER 10 33.840 6.621 2.403 71 HB3 SER 10 HB1 SER 10 34.425 7.427 0.948 72 HG SER 10 HG SER 10 33.453 5.325 -0.033 73 H GLY 11 HN GLY 11 36.468 5.065 3.655 74 HA2 GLY 11 HA2 GLY 11 38.200 7.430 3.654 75 HA3 GLY 11 HA1 GLY 11 37.853 6.400 5.035 76 H ARG 12 HN ARG 12 38.936 5.437 1.814 77 HA ARG 12 HA ARG 12 41.525 4.590 2.920 78 HB2 ARG 12 HB2 ARG 12 39.551 2.815 2.440 79 HB3 ARG 12 HB1 ARG 12 40.281 2.864 0.843 80 HG2 ARG 12 HG2 ARG 12 42.341 2.067 1.650 81 HG3 ARG 12 HG1 ARG 12 41.892 2.369 3.329 82 HD2 ARG 12 HD2 ARG 12 40.028 0.659 2.940 83 HD3 ARG 12 HD1 ARG 12 40.900 0.229 1.469 84 HE ARG 12 HE ARG 12 42.826 0.042 3.315 85 HH11 ARG 12 HH11 ARG 12 39.978 -2.621 4.280 86 HH12 ARG 12 HH12 ARG 12 39.562 -1.254 3.300 87 HH21 ARG 12 HH21 ARG 12 42.117 -2.900 5.017 88 HH22 ARG 12 HH22 ARG 12 43.344 -1.751 4.602 89 H VAL 13 HN VAL 13 43.091 4.020 1.056 90 HA VAL 13 HA VAL 13 42.986 6.206 -0.859 91 HB VAL 13 HB VAL 13 45.041 5.791 0.500 92 HG11 VAL 13 HG11 VAL 13 45.103 3.373 0.524 93 HG12 VAL 13 HG12 VAL 13 46.603 4.016 -0.143 94 HG13 VAL 13 HG13 VAL 13 45.381 3.339 -1.218 95 HG21 VAL 13 HG21 VAL 13 46.650 6.136 -1.323 96 HG22 VAL 13 HG22 VAL 13 45.195 7.111 -1.518 97 HG23 VAL 13 HG23 VAL 13 45.416 5.655 -2.487 98 H ARG 14 HN ARG 14 42.712 6.021 -2.998 99 HA ARG 14 HA ARG 14 42.171 3.343 -4.082 100 HB2 ARG 14 HB2 ARG 14 40.423 5.277 -4.064 101 HB3 ARG 14 HB1 ARG 14 41.350 5.907 -5.415 102 HG2 ARG 14 HG2 ARG 14 39.857 4.691 -6.608 103 HG3 ARG 14 HG1 ARG 14 41.000 3.391 -6.271 104 HD2 ARG 14 HD2 ARG 14 38.861 2.529 -5.763 105 HD3 ARG 14 HD1 ARG 14 39.624 2.882 -4.216 106 HE ARG 14 HE ARG 14 38.131 5.120 -4.981 107 HH11 ARG 14 HH11 ARG 14 35.990 2.161 -3.307 108 HH12 ARG 14 HH12 ARG 14 37.545 1.804 -3.980 109 HH21 ARG 14 HH21 ARG 14 36.094 5.564 -4.091 110 HH22 ARG 14 HH22 ARG 14 35.171 4.289 -3.371 111 H ARG 15 HN ARG 15 43.375 2.529 -5.646 112 HA ARG 15 HA ARG 15 45.069 4.242 -7.302 113 HB2 ARG 15 HB2 ARG 15 46.042 1.938 -5.607 114 HB3 ARG 15 HB1 ARG 15 46.935 2.511 -7.009 115 HG2 ARG 15 HG2 ARG 15 47.116 4.726 -5.981 116 HG3 ARG 15 HG1 ARG 15 46.238 4.135 -4.570 117 HD2 ARG 15 HD2 ARG 15 48.002 2.495 -4.158 118 HD3 ARG 15 HD1 ARG 15 48.877 3.074 -5.575 119 HE ARG 15 HE ARG 15 48.376 5.210 -3.792 120 HH11 ARG 15 HH11 ARG 15 51.717 3.069 -3.164 121 HH12 ARG 15 HH12 ARG 15 50.446 2.392 -4.126 122 HH21 ARG 15 HH21 ARG 15 50.053 6.076 -2.535 123 HH22 ARG 15 HH22 ARG 15 51.494 5.152 -2.263 124 H LEU 16 HN LEU 16 44.760 3.734 -9.379 125 HA LEU 16 HA LEU 16 44.286 2.655 -11.307 126 HB2 LEU 16 HB2 LEU 16 45.116 0.237 -9.710 127 HB3 LEU 16 HB1 LEU 16 44.676 0.148 -11.403 128 HG LEU 16 HG LEU 16 46.535 1.990 -11.678 129 HD11 LEU 16 HD11 LEU 16 47.350 0.622 -9.115 130 HD12 LEU 16 HD12 LEU 16 46.986 2.335 -9.328 131 HD13 LEU 16 HD13 LEU 16 48.402 1.632 -10.109 132 HD21 LEU 16 HD21 LEU 16 46.588 -0.209 -12.709 133 HD22 LEU 16 HD22 LEU 16 47.146 -0.924 -11.195 134 HD23 LEU 16 HD23 LEU 16 48.176 0.212 -12.068 135 H GLY 17 HN GLY 17 42.284 2.670 -8.843 136 HA2 GLY 17 HA2 GLY 17 39.916 2.585 -9.187 137 HA3 GLY 17 HA1 GLY 17 40.163 1.282 -10.336 138 H ILE 18 HN ILE 18 42.048 0.871 -7.553 139 HA ILE 18 HA ILE 18 39.986 -0.633 -6.121 140 HB ILE 18 HB ILE 18 41.653 -2.542 -5.788 141 HG12 ILE 18 HG12 ILE 18 42.801 -2.009 -8.469 142 HG13 ILE 18 HG11 ILE 18 43.418 -0.987 -7.176 143 HG21 ILE 18 HG21 ILE 18 40.901 -3.676 -7.842 144 HG22 ILE 18 HG22 ILE 18 40.401 -2.120 -8.505 145 HG23 ILE 18 HG23 ILE 18 39.598 -2.766 -7.074 146 HD11 ILE 18 HD11 ILE 18 44.051 -2.980 -5.910 147 HD12 ILE 18 HD12 ILE 18 44.821 -2.937 -7.497 148 HD13 ILE 18 HD13 ILE 18 43.439 -3.998 -7.215 149 H CYS 19 HN CYS 19 40.086 -0.358 -3.992 150 HA CYS 19 HA CYS 19 42.315 1.142 -2.871 151 HB2 CYS 19 HB2 CYS 19 40.808 1.139 -0.799 152 HB3 CYS 19 HB1 CYS 19 40.238 2.027 -2.206 153 H VAL 20 HN VAL 20 43.802 0.387 -1.524 154 HA VAL 20 HA VAL 20 43.479 -2.315 -0.411 155 HB VAL 20 HB VAL 20 45.996 -2.636 -0.773 156 HG11 VAL 20 HG11 VAL 20 45.659 -3.500 -3.051 157 HG12 VAL 20 HG12 VAL 20 44.156 -2.587 -3.169 158 HG13 VAL 20 HG13 VAL 20 44.302 -3.893 -1.994 159 HG21 VAL 20 HG21 VAL 20 45.551 -0.447 -2.823 160 HG22 VAL 20 HG22 VAL 20 46.987 -1.464 -2.703 161 HG23 VAL 20 HG23 VAL 20 46.592 -0.340 -1.401 162 HA PRO 21 HA PRO 21 44.938 -0.572 3.438 163 HB2 PRO 21 HB2 PRO 21 46.546 -2.918 4.116 164 HB3 PRO 21 HB1 PRO 21 45.015 -2.377 4.826 165 HG2 PRO 21 HG2 PRO 21 45.197 -4.608 3.341 166 HG3 PRO 21 HG1 PRO 21 43.743 -3.589 3.369 167 HD2 PRO 21 HD2 PRO 21 45.922 -3.704 1.318 168 HD3 PRO 21 HD1 PRO 21 44.162 -3.626 1.093 169 H ASP 22 HN ASP 22 46.696 0.347 4.537 170 HA ASP 22 HA ASP 22 49.250 0.305 3.066 171 HB2 ASP 22 HB2 ASP 22 47.890 2.580 4.510 172 HB3 ASP 22 HB1 ASP 22 49.572 2.641 3.996 173 H ASP 23 HN ASP 23 47.846 0.747 6.322 174 HA ASP 23 HA ASP 23 50.430 0.319 7.570 175 HB2 ASP 23 HB2 ASP 23 49.152 0.666 9.714 176 HB3 ASP 23 HB1 ASP 23 49.116 2.022 8.597 177 H ASP 24 HN ASP 24 47.565 -1.529 6.887 178 HA ASP 24 HA ASP 24 48.221 -3.643 8.756 179 HB2 ASP 24 HB2 ASP 24 45.999 -3.211 6.774 180 HB3 ASP 24 HB1 ASP 24 46.219 -4.752 7.586 181 H TYR 25 HN TYR 25 48.168 -3.173 5.231 182 HA TYR 25 HA TYR 25 50.004 -5.449 4.956 183 HB2 TYR 25 HB2 TYR 25 47.512 -4.941 3.322 184 HB3 TYR 25 HB1 TYR 25 48.809 -5.999 2.776 185 HD1 TYR 25 HD1 TYR 25 49.129 -8.177 3.748 186 HD2 TYR 25 HD2 TYR 25 46.125 -5.567 5.255 187 HE1 TYR 25 HE1 TYR 25 48.135 -10.049 4.993 188 HE2 TYR 25 HE2 TYR 25 45.123 -7.433 6.505 189 HH TYR 25 HH TYR 25 45.057 -9.888 6.410 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 19.095 -4.862 -1.216 2 H2 PHE 1 HT2 PHE 1 20.256 -5.741 -2.074 3 H3 PHE 1 HT3 PHE 1 19.901 -4.150 -2.524 4 HA PHE 1 HA PHE 1 20.776 -3.316 -0.458 5 HB2 PHE 1 HB2 PHE 1 21.289 -6.245 0.075 6 HB3 PHE 1 HB1 PHE 1 22.067 -4.953 0.981 7 HD1 PHE 1 HD1 PHE 1 18.936 -6.728 0.358 8 HD2 PHE 1 HD2 PHE 1 20.817 -3.603 2.552 9 HE1 PHE 1 HE1 PHE 1 17.006 -6.640 1.881 10 HE2 PHE 1 HE2 PHE 1 18.891 -3.511 4.079 11 HZ PHE 1 HZ PHE 1 16.982 -5.031 3.745 12 H GLY 2 HN GLY 2 22.922 -2.643 -0.360 13 HA2 GLY 2 HA2 GLY 2 25.119 -3.922 -1.552 14 HA3 GLY 2 HA1 GLY 2 24.410 -2.838 -2.740 15 H VAL 3 HN VAL 3 27.019 -2.580 -1.744 16 HA VAL 3 HA VAL 3 26.821 0.060 -0.494 17 HB VAL 3 HB VAL 3 28.939 -0.488 0.842 18 HG11 VAL 3 HG11 VAL 3 27.640 -1.404 2.713 19 HG12 VAL 3 HG12 VAL 3 26.323 -1.776 1.601 20 HG13 VAL 3 HG13 VAL 3 26.791 -0.100 1.884 21 HG21 VAL 3 HG21 VAL 3 27.996 -3.323 0.369 22 HG22 VAL 3 HG22 VAL 3 29.225 -2.831 1.533 23 HG23 VAL 3 HG23 VAL 3 29.515 -2.625 -0.194 24 H LYS 4 HN LYS 4 27.562 1.382 -1.989 25 HA LYS 4 HA LYS 4 29.855 0.606 -3.638 26 HB2 LYS 4 HB2 LYS 4 27.620 2.576 -3.977 27 HB3 LYS 4 HB1 LYS 4 29.101 2.750 -4.902 28 HG2 LYS 4 HG2 LYS 4 28.785 0.509 -5.832 29 HG3 LYS 4 HG1 LYS 4 27.292 0.344 -4.906 30 HD2 LYS 4 HD2 LYS 4 26.338 2.252 -6.102 31 HD3 LYS 4 HD1 LYS 4 27.835 2.429 -7.020 32 HE2 LYS 4 HE2 LYS 4 27.514 0.189 -7.962 33 HE3 LYS 4 HE1 LYS 4 26.013 0.024 -7.049 34 HZ1 LYS 4 HZ1 LYS 4 26.546 2.058 -9.148 35 HZ2 LYS 4 HZ2 LYS 4 25.107 1.899 -8.276 36 HZ3 LYS 4 HZ3 LYS 4 25.591 0.673 -9.335 37 H ASP 5 HN ASP 5 28.690 3.163 -1.490 38 HA ASP 5 HA ASP 5 31.241 4.578 -1.658 39 HB2 ASP 5 HB2 ASP 5 28.833 5.638 -1.640 40 HB3 ASP 5 HB1 ASP 5 28.984 5.455 0.104 41 H GLY 6 HN GLY 6 29.332 2.662 0.590 42 HA2 GLY 6 HA2 GLY 6 31.212 3.134 2.777 43 HA3 GLY 6 HA1 GLY 6 29.704 2.248 2.877 44 H LYS 7 HN LYS 7 32.503 1.874 0.737 45 HA LYS 7 HA LYS 7 32.964 -0.805 1.861 46 HB2 LYS 7 HB2 LYS 7 31.740 -0.606 -0.481 47 HB3 LYS 7 HB1 LYS 7 33.376 -0.351 -1.069 48 HG2 LYS 7 HG2 LYS 7 34.060 -2.495 -0.117 49 HG3 LYS 7 HG1 LYS 7 32.421 -2.749 0.486 50 HD2 LYS 7 HD2 LYS 7 31.572 -2.712 -1.810 51 HD3 LYS 7 HD1 LYS 7 33.209 -2.451 -2.413 52 HE2 LYS 7 HE2 LYS 7 33.898 -4.600 -1.466 53 HE3 LYS 7 HE1 LYS 7 32.261 -4.859 -0.862 54 HZ1 LYS 7 HZ1 LYS 7 32.641 -6.041 -2.932 55 HZ2 LYS 7 HZ2 LYS 7 33.029 -4.598 -3.720 56 HZ3 LYS 7 HZ3 LYS 7 31.460 -4.848 -3.142 57 H CYS 8 HN CYS 8 34.351 1.672 -0.316 58 HA CYS 8 HA CYS 8 36.951 1.242 0.968 59 HB2 CYS 8 HB2 CYS 8 36.245 1.239 -1.907 60 HB3 CYS 8 HB1 CYS 8 37.720 2.083 -1.463 61 HA PRO 9 HA PRO 9 36.662 5.933 -0.261 62 HB2 PRO 9 HB2 PRO 9 33.853 6.532 -0.817 63 HB3 PRO 9 HB1 PRO 9 35.274 6.815 -1.838 64 HG2 PRO 9 HG2 PRO 9 33.397 5.000 -2.464 65 HG3 PRO 9 HG1 PRO 9 35.112 4.787 -2.877 66 HD2 PRO 9 HD2 PRO 9 33.565 3.601 -0.602 67 HD3 PRO 9 HD1 PRO 9 34.717 2.823 -1.703 68 H SER 10 HN SER 10 35.729 4.365 2.136 69 HA SER 10 HA SER 10 34.425 6.550 3.626 70 HB2 SER 10 HB2 SER 10 34.391 3.574 4.209 71 HB3 SER 10 HB1 SER 10 33.638 4.815 5.211 72 HG SER 10 HG SER 10 31.996 4.287 3.957 73 H GLY 11 HN GLY 11 36.803 3.924 3.882 74 HA2 GLY 11 HA2 GLY 11 38.570 5.645 5.440 75 HA3 GLY 11 HA1 GLY 11 38.017 4.176 6.232 76 H ARG 12 HN ARG 12 38.629 4.365 2.792 77 HA ARG 12 HA ARG 12 41.151 2.912 3.066 78 HB2 ARG 12 HB2 ARG 12 39.043 1.434 2.673 79 HB3 ARG 12 HB1 ARG 12 39.085 2.081 1.041 80 HG2 ARG 12 HG2 ARG 12 41.067 1.012 0.527 81 HG3 ARG 12 HG1 ARG 12 41.511 0.821 2.225 82 HD2 ARG 12 HD2 ARG 12 39.690 -0.807 2.499 83 HD3 ARG 12 HD1 ARG 12 39.285 -0.628 0.792 84 HE ARG 12 HE ARG 12 41.959 -1.328 0.895 85 HH11 ARG 12 HH11 ARG 12 39.501 -4.422 1.620 86 HH12 ARG 12 HH12 ARG 12 38.917 -2.807 1.845 87 HH21 ARG 12 HH21 ARG 12 41.641 -4.785 0.924 88 HH22 ARG 12 HH22 ARG 12 42.701 -3.451 0.611 89 H VAL 13 HN VAL 13 42.491 2.997 1.165 90 HA VAL 13 HA VAL 13 42.031 5.413 -0.424 91 HB VAL 13 HB VAL 13 44.152 5.229 0.883 92 HG11 VAL 13 HG11 VAL 13 44.645 2.881 0.706 93 HG12 VAL 13 HG12 VAL 13 45.984 3.810 0.029 94 HG13 VAL 13 HG13 VAL 13 44.831 3.012 -1.044 95 HG21 VAL 13 HG21 VAL 13 45.646 6.015 -0.897 96 HG22 VAL 13 HG22 VAL 13 44.038 6.730 -1.015 97 HG23 VAL 13 HG23 VAL 13 44.504 5.423 -2.105 98 H ARG 14 HN ARG 14 41.780 5.383 -2.596 99 HA ARG 14 HA ARG 14 41.894 2.760 -3.935 100 HB2 ARG 14 HB2 ARG 14 39.613 4.025 -3.571 101 HB3 ARG 14 HB1 ARG 14 40.149 4.968 -4.954 102 HG2 ARG 14 HG2 ARG 14 40.430 2.807 -6.199 103 HG3 ARG 14 HG1 ARG 14 39.643 2.003 -4.840 104 HD2 ARG 14 HD2 ARG 14 37.951 2.392 -6.433 105 HD3 ARG 14 HD1 ARG 14 37.718 3.603 -5.175 106 HE ARG 14 HE ARG 14 39.298 4.816 -7.067 107 HH11 ARG 14 HH11 ARG 14 35.517 4.375 -8.353 108 HH12 ARG 14 HH12 ARG 14 36.104 3.355 -7.082 109 HH21 ARG 14 HH21 ARG 14 38.510 6.140 -8.731 110 HH22 ARG 14 HH22 ARG 14 36.879 5.949 -9.285 111 H ARG 15 HN ARG 15 42.868 2.590 -5.876 112 HA ARG 15 HA ARG 15 43.752 4.885 -7.390 113 HB2 ARG 15 HB2 ARG 15 45.504 3.887 -5.446 114 HB3 ARG 15 HB1 ARG 15 46.076 3.193 -6.956 115 HG2 ARG 15 HG2 ARG 15 46.195 5.437 -7.933 116 HG3 ARG 15 HG1 ARG 15 45.646 6.122 -6.403 117 HD2 ARG 15 HD2 ARG 15 47.624 5.200 -5.289 118 HD3 ARG 15 HD1 ARG 15 48.172 4.526 -6.824 119 HE ARG 15 HE ARG 15 47.791 7.255 -7.205 120 HH11 ARG 15 HH11 ARG 15 51.207 6.347 -5.299 121 HH12 ARG 15 HH12 ARG 15 49.913 5.196 -5.309 122 HH21 ARG 15 HH21 ARG 15 49.498 8.744 -7.178 123 HH22 ARG 15 HH22 ARG 15 50.972 8.352 -6.355 124 H LEU 16 HN LEU 16 43.454 4.360 -9.465 125 HA LEU 16 HA LEU 16 43.264 3.242 -11.421 126 HB2 LEU 16 HB2 LEU 16 45.109 1.268 -10.082 127 HB3 LEU 16 HB1 LEU 16 44.604 1.136 -11.754 128 HG LEU 16 HG LEU 16 45.576 3.607 -11.872 129 HD11 LEU 16 HD11 LEU 16 47.558 3.856 -10.484 130 HD12 LEU 16 HD12 LEU 16 47.189 2.341 -9.660 131 HD13 LEU 16 HD13 LEU 16 46.110 3.725 -9.486 132 HD21 LEU 16 HD21 LEU 16 47.700 2.640 -12.631 133 HD22 LEU 16 HD22 LEU 16 46.310 1.741 -13.242 134 HD23 LEU 16 HD23 LEU 16 47.253 1.099 -11.897 135 H GLY 17 HN GLY 17 41.805 2.233 -8.708 136 HA2 GLY 17 HA2 GLY 17 39.605 1.250 -8.887 137 HA3 GLY 17 HA1 GLY 17 40.220 0.216 -10.164 138 H ILE 18 HN ILE 18 42.492 0.415 -7.703 139 HA ILE 18 HA ILE 18 41.436 -2.018 -6.410 140 HB ILE 18 HB ILE 18 43.854 -2.695 -6.021 141 HG12 ILE 18 HG12 ILE 18 44.664 -1.205 -8.466 142 HG13 ILE 18 HG11 ILE 18 44.550 -0.256 -6.988 143 HG21 ILE 18 HG21 ILE 18 42.791 -2.659 -8.850 144 HG22 ILE 18 HG22 ILE 18 42.389 -3.834 -7.599 145 HG23 ILE 18 HG23 ILE 18 44.031 -3.754 -8.239 146 HD11 ILE 18 HD11 ILE 18 46.811 -1.058 -7.347 147 HD12 ILE 18 HD12 ILE 18 46.230 -2.724 -7.376 148 HD13 ILE 18 HD13 ILE 18 46.116 -1.777 -5.892 149 H CYS 19 HN CYS 19 41.423 -2.131 -4.253 150 HA CYS 19 HA CYS 19 42.231 0.249 -2.760 151 HB2 CYS 19 HB2 CYS 19 40.457 -2.088 -2.039 152 HB3 CYS 19 HB1 CYS 19 40.869 -0.793 -0.922 153 H VAL 20 HN VAL 20 43.749 0.260 -1.198 154 HA VAL 20 HA VAL 20 44.891 -2.246 -0.245 155 HB VAL 20 HB VAL 20 47.244 -1.267 -0.522 156 HG11 VAL 20 HG11 VAL 20 46.445 -3.192 -1.786 157 HG12 VAL 20 HG12 VAL 20 47.457 -2.165 -2.805 158 HG13 VAL 20 HG13 VAL 20 45.702 -2.124 -2.976 159 HG21 VAL 20 HG21 VAL 20 46.632 1.025 -1.154 160 HG22 VAL 20 HG22 VAL 20 45.834 0.424 -2.606 161 HG23 VAL 20 HG23 VAL 20 47.581 0.260 -2.430 162 HA PRO 21 HA PRO 21 45.129 0.026 3.593 163 HB2 PRO 21 HB2 PRO 21 47.487 -1.385 4.537 164 HB3 PRO 21 HB1 PRO 21 45.800 -1.602 5.030 165 HG2 PRO 21 HG2 PRO 21 47.190 -3.477 3.659 166 HG3 PRO 21 HG1 PRO 21 45.430 -3.281 3.539 167 HD2 PRO 21 HD2 PRO 21 47.563 -2.337 1.663 168 HD3 PRO 21 HD1 PRO 21 45.990 -3.082 1.307 169 H ASP 22 HN ASP 22 45.916 1.962 4.169 170 HA ASP 22 HA ASP 22 48.653 2.676 3.340 171 HB2 ASP 22 HB2 ASP 22 46.554 3.852 2.296 172 HB3 ASP 22 HB1 ASP 22 46.529 4.744 3.812 173 H ASP 23 HN ASP 23 46.160 3.358 5.811 174 HA ASP 23 HA ASP 23 48.310 4.046 7.704 175 HB2 ASP 23 HB2 ASP 23 45.424 4.920 7.588 176 HB3 ASP 23 HB1 ASP 23 46.441 5.182 9.000 177 H ASP 24 HN ASP 24 45.495 2.031 7.172 178 HA ASP 24 HA ASP 24 45.584 0.922 9.853 179 HB2 ASP 24 HB2 ASP 24 43.742 0.579 7.495 180 HB3 ASP 24 HB1 ASP 24 43.656 -0.489 8.887 181 H TYR 25 HN TYR 25 47.912 0.332 9.084 182 HA TYR 25 HA TYR 25 47.991 -2.245 7.699 183 HB2 TYR 25 HB2 TYR 25 49.582 -0.248 7.216 184 HB3 TYR 25 HB1 TYR 25 50.403 -0.741 8.691 185 HD1 TYR 25 HD1 TYR 25 49.719 -1.583 5.205 186 HD2 TYR 25 HD2 TYR 25 51.617 -2.864 8.789 187 HE1 TYR 25 HE1 TYR 25 50.999 -3.246 3.924 188 HE2 TYR 25 HE2 TYR 25 52.904 -4.530 7.519 189 HH TYR 25 HH TYR 25 52.737 -5.760 5.398 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 23.093 1.001 -6.637 2 H2 PHE 1 HT2 PHE 1 22.260 2.241 -5.844 3 H3 PHE 1 HT3 PHE 1 23.211 1.160 -4.956 4 HA PHE 1 HA PHE 1 25.204 1.968 -6.005 5 HB2 PHE 1 HB2 PHE 1 23.775 2.654 -8.094 6 HB3 PHE 1 HB1 PHE 1 23.603 4.186 -7.247 7 HD1 PHE 1 HD1 PHE 1 25.909 1.951 -8.988 8 HD2 PHE 1 HD2 PHE 1 25.496 5.662 -6.947 9 HE1 PHE 1 HE1 PHE 1 28.086 2.677 -9.876 10 HE2 PHE 1 HE2 PHE 1 27.672 6.396 -7.831 11 HZ PHE 1 HZ PHE 1 28.969 4.901 -9.299 12 H GLY 2 HN GLY 2 26.324 3.155 -4.595 13 HA2 GLY 2 HA2 GLY 2 26.262 5.521 -3.550 14 HA3 GLY 2 HA1 GLY 2 24.825 4.894 -2.756 15 H VAL 3 HN VAL 3 25.511 4.907 -0.677 16 HA VAL 3 HA VAL 3 27.538 2.934 0.034 17 HB VAL 3 HB VAL 3 28.428 4.529 1.831 18 HG11 VAL 3 HG11 VAL 3 29.042 5.077 -1.068 19 HG12 VAL 3 HG12 VAL 3 29.751 3.811 -0.066 20 HG13 VAL 3 HG13 VAL 3 30.073 5.507 0.297 21 HG21 VAL 3 HG21 VAL 3 26.753 6.301 1.649 22 HG22 VAL 3 HG22 VAL 3 27.241 6.608 -0.018 23 HG23 VAL 3 HG23 VAL 3 28.365 6.929 1.302 24 H LYS 4 HN LYS 4 26.512 1.540 1.264 25 HA LYS 4 HA LYS 4 24.351 2.409 3.022 26 HB2 LYS 4 HB2 LYS 4 25.215 -0.244 1.916 27 HB3 LYS 4 HB1 LYS 4 24.135 -0.161 3.295 28 HG2 LYS 4 HG2 LYS 4 22.539 1.138 1.972 29 HG3 LYS 4 HG1 LYS 4 23.630 1.052 0.587 30 HD2 LYS 4 HD2 LYS 4 23.437 -1.393 0.594 31 HD3 LYS 4 HD1 LYS 4 22.345 -1.302 1.976 32 HE2 LYS 4 HE2 LYS 4 20.965 -1.556 0.077 33 HE3 LYS 4 HE1 LYS 4 20.850 0.142 0.535 34 HZ1 LYS 4 HZ1 LYS 4 22.562 -0.950 -1.636 35 HZ2 LYS 4 HZ2 LYS 4 22.447 0.680 -1.200 36 HZ3 LYS 4 HZ3 LYS 4 21.106 -0.117 -1.853 37 H ASP 5 HN ASP 5 27.451 0.689 3.143 38 HA ASP 5 HA ASP 5 27.522 1.143 6.053 39 HB2 ASP 5 HB2 ASP 5 27.172 -1.307 5.191 40 HB3 ASP 5 HB1 ASP 5 28.892 -1.229 4.822 41 H GLY 6 HN GLY 6 29.430 0.629 3.096 42 HA2 GLY 6 HA2 GLY 6 31.216 2.062 2.450 43 HA3 GLY 6 HA1 GLY 6 31.452 2.487 4.139 44 H LYS 7 HN LYS 7 32.493 0.563 1.571 45 HA LYS 7 HA LYS 7 33.939 -1.305 3.308 46 HB2 LYS 7 HB2 LYS 7 32.557 -1.916 1.133 47 HB3 LYS 7 HB1 LYS 7 34.045 -1.456 0.320 48 HG2 LYS 7 HG2 LYS 7 34.377 -3.706 0.565 49 HG3 LYS 7 HG1 LYS 7 35.131 -3.113 2.046 50 HD2 LYS 7 HD2 LYS 7 33.082 -3.597 3.289 51 HD3 LYS 7 HD1 LYS 7 32.309 -4.161 1.807 52 HE2 LYS 7 HE2 LYS 7 33.992 -5.933 1.615 53 HE3 LYS 7 HE1 LYS 7 34.747 -5.373 3.106 54 HZ1 LYS 7 HZ1 LYS 7 33.296 -7.261 3.502 55 HZ2 LYS 7 HZ2 LYS 7 31.977 -6.418 2.859 56 HZ3 LYS 7 HZ3 LYS 7 32.704 -5.885 4.290 57 H CYS 8 HN CYS 8 34.522 0.977 0.629 58 HA CYS 8 HA CYS 8 37.331 1.141 1.467 59 HB2 CYS 8 HB2 CYS 8 36.076 1.061 -1.221 60 HB3 CYS 8 HB1 CYS 8 37.472 2.106 -1.015 61 HA PRO 9 HA PRO 9 35.956 5.709 0.474 62 HB2 PRO 9 HB2 PRO 9 33.027 5.746 0.606 63 HB3 PRO 9 HB1 PRO 9 34.094 6.336 -0.679 64 HG2 PRO 9 HG2 PRO 9 32.526 4.193 -1.014 65 HG3 PRO 9 HG1 PRO 9 34.126 4.330 -1.775 66 HD2 PRO 9 HD2 PRO 9 33.344 2.827 0.696 67 HD3 PRO 9 HD1 PRO 9 34.364 2.310 -0.658 68 H SER 10 HN SER 10 35.909 4.016 2.968 69 HA SER 10 HA SER 10 34.639 5.957 4.789 70 HB2 SER 10 HB2 SER 10 35.194 3.015 5.266 71 HB3 SER 10 HB1 SER 10 34.496 4.126 6.446 72 HG SER 10 HG SER 10 32.643 3.750 5.557 73 H GLY 11 HN GLY 11 37.416 3.822 4.296 74 HA2 GLY 11 HA2 GLY 11 39.235 5.756 5.419 75 HA3 GLY 11 HA1 GLY 11 39.037 4.323 6.421 76 H ARG 12 HN ARG 12 38.966 4.454 2.898 77 HA ARG 12 HA ARG 12 41.540 3.064 2.748 78 HB2 ARG 12 HB2 ARG 12 39.324 1.619 2.620 79 HB3 ARG 12 HB1 ARG 12 39.286 2.215 0.968 80 HG2 ARG 12 HG2 ARG 12 41.134 1.026 0.347 81 HG3 ARG 12 HG1 ARG 12 41.793 0.985 1.985 82 HD2 ARG 12 HD2 ARG 12 40.059 -0.607 2.644 83 HD3 ARG 12 HD1 ARG 12 39.386 -0.553 1.016 84 HE ARG 12 HE ARG 12 42.101 -1.283 0.881 85 HH11 ARG 12 HH11 ARG 12 39.506 -4.266 1.593 86 HH12 ARG 12 HH12 ARG 12 39.019 -2.631 1.893 87 HH21 ARG 12 HH21 ARG 12 41.596 -4.717 0.803 88 HH22 ARG 12 HH22 ARG 12 42.715 -3.432 0.496 89 H VAL 13 HN VAL 13 42.537 3.162 0.618 90 HA VAL 13 HA VAL 13 41.761 5.594 -0.839 91 HB VAL 13 HB VAL 13 44.028 5.542 0.240 92 HG11 VAL 13 HG11 VAL 13 45.853 4.315 -0.846 93 HG12 VAL 13 HG12 VAL 13 44.677 3.490 -1.871 94 HG13 VAL 13 HG13 VAL 13 44.656 3.235 -0.126 95 HG21 VAL 13 HG21 VAL 13 45.227 6.518 -1.663 96 HG22 VAL 13 HG22 VAL 13 43.565 7.096 -1.557 97 HG23 VAL 13 HG23 VAL 13 44.000 5.878 -2.756 98 H ARG 14 HN ARG 14 41.813 5.635 -3.124 99 HA ARG 14 HA ARG 14 41.700 3.006 -4.452 100 HB2 ARG 14 HB2 ARG 14 39.809 5.336 -4.700 101 HB3 ARG 14 HB1 ARG 14 39.940 4.114 -5.955 102 HG2 ARG 14 HG2 ARG 14 39.604 2.879 -3.373 103 HG3 ARG 14 HG1 ARG 14 38.315 4.043 -3.682 104 HD2 ARG 14 HD2 ARG 14 37.492 2.054 -4.573 105 HD3 ARG 14 HD1 ARG 14 38.117 2.909 -5.979 106 HE ARG 14 HE ARG 14 40.192 1.337 -5.127 107 HH11 ARG 14 HH11 ARG 14 37.255 -0.857 -6.773 108 HH12 ARG 14 HH12 ARG 14 36.891 0.719 -6.154 109 HH21 ARG 14 HH21 ARG 14 40.644 -0.734 -5.943 110 HH22 ARG 14 HH22 ARG 14 39.376 -1.677 -6.653 111 H ARG 15 HN ARG 15 42.894 2.818 -6.242 112 HA ARG 15 HA ARG 15 43.535 5.039 -7.955 113 HB2 ARG 15 HB2 ARG 15 45.290 4.585 -5.809 114 HB3 ARG 15 HB1 ARG 15 46.086 3.886 -7.212 115 HG2 ARG 15 HG2 ARG 15 45.844 6.016 -8.401 116 HG3 ARG 15 HG1 ARG 15 45.070 6.713 -6.978 117 HD2 ARG 15 HD2 ARG 15 47.832 5.514 -6.923 118 HD3 ARG 15 HD1 ARG 15 47.534 7.215 -7.276 119 HE ARG 15 HE ARG 15 46.237 6.561 -4.879 120 HH11 ARG 15 HH11 ARG 15 50.158 7.364 -4.533 121 HH12 ARG 15 HH12 ARG 15 49.517 6.924 -6.081 122 HH21 ARG 15 HH21 ARG 15 47.099 7.137 -2.863 123 HH22 ARG 15 HH22 ARG 15 48.789 7.484 -2.714 124 H LEU 16 HN LEU 16 43.850 4.347 -9.991 125 HA LEU 16 HA LEU 16 44.088 3.036 -11.817 126 HB2 LEU 16 HB2 LEU 16 45.871 1.452 -9.974 127 HB3 LEU 16 HB1 LEU 16 45.692 1.095 -11.679 128 HG LEU 16 HG LEU 16 46.379 3.652 -11.919 129 HD11 LEU 16 HD11 LEU 16 48.051 4.280 -10.264 130 HD12 LEU 16 HD12 LEU 16 47.700 2.819 -9.341 131 HD13 LEU 16 HD13 LEU 16 46.470 4.069 -9.513 132 HD21 LEU 16 HD21 LEU 16 48.308 1.398 -11.386 133 HD22 LEU 16 HD22 LEU 16 48.697 2.908 -12.209 134 HD23 LEU 16 HD23 LEU 16 47.549 1.780 -12.930 135 H GLY 17 HN GLY 17 42.306 2.025 -9.272 136 HA2 GLY 17 HA2 GLY 17 40.310 0.733 -9.701 137 HA3 GLY 17 HA1 GLY 17 41.249 -0.270 -10.794 138 H ILE 18 HN ILE 18 43.089 0.352 -8.082 139 HA ILE 18 HA ILE 18 42.204 -2.143 -6.784 140 HB ILE 18 HB ILE 18 44.586 -2.369 -5.943 141 HG12 ILE 18 HG12 ILE 18 45.582 -0.829 -8.286 142 HG13 ILE 18 HG11 ILE 18 45.032 0.125 -6.913 143 HG21 ILE 18 HG21 ILE 18 44.085 -2.607 -8.913 144 HG22 ILE 18 HG22 ILE 18 43.663 -3.798 -7.684 145 HG23 ILE 18 HG23 ILE 18 45.358 -3.441 -8.022 146 HD11 ILE 18 HD11 ILE 18 47.420 -0.273 -6.800 147 HD12 ILE 18 HD12 ILE 18 47.149 -2.015 -6.845 148 HD13 ILE 18 HD13 ILE 18 46.594 -1.072 -5.461 149 H CYS 19 HN CYS 19 41.612 -2.046 -4.735 150 HA CYS 19 HA CYS 19 42.082 0.452 -3.255 151 HB2 CYS 19 HB2 CYS 19 39.706 -0.462 -3.792 152 HB3 CYS 19 HB1 CYS 19 40.029 -1.607 -2.495 153 H VAL 20 HN VAL 20 43.323 0.442 -1.500 154 HA VAL 20 HA VAL 20 43.706 -2.024 0.010 155 HB VAL 20 HB VAL 20 46.211 -1.516 0.183 156 HG11 VAL 20 HG11 VAL 20 45.071 -2.491 -2.442 157 HG12 VAL 20 HG12 VAL 20 45.329 -3.458 -0.991 158 HG13 VAL 20 HG13 VAL 20 46.710 -2.793 -1.866 159 HG21 VAL 20 HG21 VAL 20 47.243 -0.399 -1.756 160 HG22 VAL 20 HG22 VAL 20 46.213 0.713 -0.850 161 HG23 VAL 20 HG23 VAL 20 45.642 0.020 -2.369 162 HA PRO 21 HA PRO 21 43.602 0.798 3.474 163 HB2 PRO 21 HB2 PRO 21 45.143 -0.911 5.212 164 HB3 PRO 21 HB1 PRO 21 43.384 -0.721 5.149 165 HG2 PRO 21 HG2 PRO 21 44.695 -3.015 4.460 166 HG3 PRO 21 HG1 PRO 21 43.096 -2.552 3.846 167 HD2 PRO 21 HD2 PRO 21 45.767 -2.305 2.525 168 HD3 PRO 21 HD1 PRO 21 44.201 -2.781 1.835 169 H ASP 22 HN ASP 22 44.813 2.181 4.844 170 HA ASP 22 HA ASP 22 47.723 2.213 4.470 171 HB2 ASP 22 HB2 ASP 22 45.839 4.517 3.954 172 HB3 ASP 22 HB1 ASP 22 47.557 4.752 4.259 173 H ASP 23 HN ASP 23 48.553 2.021 6.452 174 HA ASP 23 HA ASP 23 47.464 3.689 8.614 175 HB2 ASP 23 HB2 ASP 23 48.138 0.750 8.762 176 HB3 ASP 23 HB1 ASP 23 47.986 1.766 10.192 177 H ASP 24 HN ASP 24 50.215 1.784 7.435 178 HA ASP 24 HA ASP 24 52.008 3.630 8.861 179 HB2 ASP 24 HB2 ASP 24 53.636 1.689 9.041 180 HB3 ASP 24 HB1 ASP 24 52.217 1.600 10.072 181 H TYR 25 HN TYR 25 51.786 1.349 6.133 182 HA TYR 25 HA TYR 25 53.453 3.181 4.552 183 HB2 TYR 25 HB2 TYR 25 53.799 0.191 4.799 184 HB3 TYR 25 HB1 TYR 25 54.466 1.114 3.456 185 HD1 TYR 25 HD1 TYR 25 54.733 0.381 7.031 186 HD2 TYR 25 HD2 TYR 25 56.327 2.647 3.802 187 HE1 TYR 25 HE1 TYR 25 56.723 0.893 8.381 188 HE2 TYR 25 HE2 TYR 25 58.322 3.166 5.142 189 HH TYR 25 HH TYR 25 59.066 1.552 8.034 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 19.559 7.953 1.864 2 H2 PHE 1 HT2 PHE 1 18.429 6.699 1.764 3 H3 PHE 1 HT3 PHE 1 19.009 7.427 0.352 4 HA PHE 1 HA PHE 1 20.027 5.272 0.695 5 HB2 PHE 1 HB2 PHE 1 21.241 7.397 -0.238 6 HB3 PHE 1 HB1 PHE 1 22.158 7.313 1.260 7 HD1 PHE 1 HD1 PHE 1 21.500 5.720 -1.960 8 HD2 PHE 1 HD2 PHE 1 23.716 5.504 1.666 9 HE1 PHE 1 HE1 PHE 1 23.002 4.060 -2.981 10 HE2 PHE 1 HE2 PHE 1 25.223 3.844 0.652 11 HZ PHE 1 HZ PHE 1 24.866 3.121 -1.675 12 H GLY 2 HN GLY 2 20.752 3.760 2.065 13 HA2 GLY 2 HA2 GLY 2 21.090 4.528 4.888 14 HA3 GLY 2 HA1 GLY 2 20.638 2.930 4.314 15 H VAL 3 HN VAL 3 22.200 1.637 5.062 16 HA VAL 3 HA VAL 3 24.904 2.066 4.077 17 HB VAL 3 HB VAL 3 24.911 3.061 6.332 18 HG11 VAL 3 HG11 VAL 3 23.183 1.777 7.435 19 HG12 VAL 3 HG12 VAL 3 24.688 1.697 8.351 20 HG13 VAL 3 HG13 VAL 3 24.183 0.326 7.363 21 HG21 VAL 3 HG21 VAL 3 26.523 0.522 6.148 22 HG22 VAL 3 HG22 VAL 3 26.843 1.859 7.253 23 HG23 VAL 3 HG23 VAL 3 26.970 2.104 5.511 24 H LYS 4 HN LYS 4 25.389 0.337 2.963 25 HA LYS 4 HA LYS 4 24.440 -2.301 3.871 26 HB2 LYS 4 HB2 LYS 4 23.679 -1.212 1.580 27 HB3 LYS 4 HB1 LYS 4 25.236 -1.803 1.026 28 HG2 LYS 4 HG2 LYS 4 23.379 -3.681 2.422 29 HG3 LYS 4 HG1 LYS 4 23.085 -3.255 0.737 30 HD2 LYS 4 HD2 LYS 4 25.343 -4.010 0.155 31 HD3 LYS 4 HD1 LYS 4 25.635 -4.437 1.842 32 HE2 LYS 4 HE2 LYS 4 23.807 -6.060 1.744 33 HE3 LYS 4 HE1 LYS 4 23.511 -5.628 0.060 34 HZ1 LYS 4 HZ1 LYS 4 24.828 -7.642 0.240 35 HZ2 LYS 4 HZ2 LYS 4 26.013 -6.823 1.126 36 HZ3 LYS 4 HZ3 LYS 4 25.730 -6.411 -0.490 37 H ASP 5 HN ASP 5 27.120 -0.604 2.255 38 HA ASP 5 HA ASP 5 28.971 -2.626 3.328 39 HB2 ASP 5 HB2 ASP 5 28.439 -2.701 0.754 40 HB3 ASP 5 HB1 ASP 5 29.522 -1.316 0.684 41 H GLY 6 HN GLY 6 30.654 -1.821 4.412 42 HA2 GLY 6 HA2 GLY 6 31.616 0.883 3.887 43 HA3 GLY 6 HA1 GLY 6 30.949 0.589 5.484 44 H LYS 7 HN LYS 7 33.429 -0.455 3.207 45 HA LYS 7 HA LYS 7 35.164 -1.133 5.485 46 HB2 LYS 7 HB2 LYS 7 34.133 -3.113 4.092 47 HB3 LYS 7 HB1 LYS 7 35.365 -2.675 2.918 48 HG2 LYS 7 HG2 LYS 7 36.453 -4.305 4.107 49 HG3 LYS 7 HG1 LYS 7 36.972 -2.863 4.980 50 HD2 LYS 7 HD2 LYS 7 35.223 -3.246 6.653 51 HD3 LYS 7 HD1 LYS 7 34.697 -4.684 5.776 52 HE2 LYS 7 HE2 LYS 7 36.053 -5.465 7.542 53 HE3 LYS 7 HE1 LYS 7 37.046 -5.572 6.090 54 HZ1 LYS 7 HZ1 LYS 7 38.122 -3.499 6.718 55 HZ2 LYS 7 HZ2 LYS 7 38.289 -4.653 7.943 56 HZ3 LYS 7 HZ3 LYS 7 37.168 -3.398 8.112 57 H CYS 8 HN CYS 8 35.033 -0.322 2.019 58 HA CYS 8 HA CYS 8 37.723 0.821 2.218 59 HB2 CYS 8 HB2 CYS 8 36.211 -0.450 0.009 60 HB3 CYS 8 HB1 CYS 8 37.278 0.879 -0.421 61 HA PRO 9 HA PRO 9 35.146 4.416 0.228 62 HB2 PRO 9 HB2 PRO 9 32.318 3.916 0.758 63 HB3 PRO 9 HB1 PRO 9 33.126 4.188 -0.796 64 HG2 PRO 9 HG2 PRO 9 32.058 1.814 -0.120 65 HG3 PRO 9 HG1 PRO 9 33.490 1.964 -1.160 66 HD2 PRO 9 HD2 PRO 9 33.350 1.325 1.764 67 HD3 PRO 9 HD1 PRO 9 34.324 0.562 0.491 68 H SER 10 HN SER 10 35.714 3.650 3.085 69 HA SER 10 HA SER 10 34.056 5.663 4.461 70 HB2 SER 10 HB2 SER 10 33.978 3.321 5.366 71 HB3 SER 10 HB1 SER 10 35.697 3.461 5.738 72 HG SER 10 HG SER 10 33.691 5.210 6.726 73 H GLY 11 HN GLY 11 37.359 4.488 3.994 74 HA2 GLY 11 HA2 GLY 11 38.529 7.055 4.042 75 HA3 GLY 11 HA1 GLY 11 38.744 6.299 5.615 76 H ARG 12 HN ARG 12 38.813 5.011 2.306 77 HA ARG 12 HA ARG 12 41.506 3.947 2.824 78 HB2 ARG 12 HB2 ARG 12 39.214 2.521 2.353 79 HB3 ARG 12 HB1 ARG 12 39.893 2.644 0.736 80 HG2 ARG 12 HG2 ARG 12 40.856 0.700 1.437 81 HG3 ARG 12 HG1 ARG 12 42.084 1.860 1.942 82 HD2 ARG 12 HD2 ARG 12 39.900 0.854 3.760 83 HD3 ARG 12 HD1 ARG 12 41.490 0.103 3.644 84 HE ARG 12 HE ARG 12 41.922 2.790 4.157 85 HH11 ARG 12 HH11 ARG 12 40.719 0.743 7.397 86 HH12 ARG 12 HH12 ARG 12 40.387 0.106 5.821 87 HH21 ARG 12 HH21 ARG 12 41.828 2.722 7.626 88 HH22 ARG 12 HH22 ARG 12 42.347 3.605 6.228 89 H VAL 13 HN VAL 13 42.825 3.601 0.846 90 HA VAL 13 HA VAL 13 42.628 5.909 -0.914 91 HB VAL 13 HB VAL 13 44.777 5.332 0.233 92 HG11 VAL 13 HG11 VAL 13 44.774 2.929 0.113 93 HG12 VAL 13 HG12 VAL 13 46.203 3.550 -0.713 94 HG13 VAL 13 HG13 VAL 13 44.823 2.978 -1.651 95 HG21 VAL 13 HG21 VAL 13 46.232 5.752 -1.700 96 HG22 VAL 13 HG22 VAL 13 44.800 6.781 -1.706 97 HG23 VAL 13 HG23 VAL 13 44.888 5.384 -2.779 98 H ARG 14 HN ARG 14 42.665 5.786 -3.189 99 HA ARG 14 HA ARG 14 42.001 3.176 -4.367 100 HB2 ARG 14 HB2 ARG 14 40.517 5.778 -4.722 101 HB3 ARG 14 HB1 ARG 14 40.395 4.471 -5.890 102 HG2 ARG 14 HG2 ARG 14 39.859 3.887 -3.016 103 HG3 ARG 14 HG1 ARG 14 38.634 4.729 -3.964 104 HD2 ARG 14 HD2 ARG 14 39.891 2.135 -4.839 105 HD3 ARG 14 HD1 ARG 14 38.431 2.206 -3.854 106 HE ARG 14 HE ARG 14 38.035 3.816 -6.101 107 HH11 ARG 14 HH11 ARG 14 37.512 -0.114 -6.747 108 HH12 ARG 14 HH12 ARG 14 38.441 0.404 -5.380 109 HH21 ARG 14 HH21 ARG 14 36.822 3.116 -7.885 110 HH22 ARG 14 HH22 ARG 14 36.597 1.422 -8.163 111 H ARG 15 HN ARG 15 43.601 2.712 -5.683 112 HA ARG 15 HA ARG 15 44.484 4.705 -7.649 113 HB2 ARG 15 HB2 ARG 15 46.258 3.030 -5.872 114 HB3 ARG 15 HB1 ARG 15 46.833 3.729 -7.378 115 HG2 ARG 15 HG2 ARG 15 46.321 5.967 -6.537 116 HG3 ARG 15 HG1 ARG 15 45.744 5.263 -5.026 117 HD2 ARG 15 HD2 ARG 15 47.967 4.339 -4.606 118 HD3 ARG 15 HD1 ARG 15 48.543 5.025 -6.125 119 HE ARG 15 HE ARG 15 47.442 7.062 -4.515 120 HH11 ARG 15 HH11 ARG 15 51.297 6.149 -3.844 121 HH12 ARG 15 HH12 ARG 15 50.289 5.010 -4.673 122 HH21 ARG 15 HH21 ARG 15 48.781 8.537 -3.432 123 HH22 ARG 15 HH22 ARG 15 50.443 8.143 -3.143 124 H LEU 16 HN LEU 16 44.744 3.937 -9.677 125 HA LEU 16 HA LEU 16 44.673 2.589 -11.490 126 HB2 LEU 16 HB2 LEU 16 45.822 0.638 -9.515 127 HB3 LEU 16 HB1 LEU 16 45.481 0.162 -11.166 128 HG LEU 16 HG LEU 16 46.969 2.229 -11.781 129 HD11 LEU 16 HD11 LEU 16 47.231 3.153 -9.576 130 HD12 LEU 16 HD12 LEU 16 48.793 2.561 -10.141 131 HD13 LEU 16 HD13 LEU 16 47.867 1.624 -8.966 132 HD21 LEU 16 HD21 LEU 16 47.514 -0.067 -12.330 133 HD22 LEU 16 HD22 LEU 16 48.099 -0.343 -10.690 134 HD23 LEU 16 HD23 LEU 16 48.950 0.779 -11.752 135 H GLY 17 HN GLY 17 42.426 2.520 -9.286 136 HA2 GLY 17 HA2 GLY 17 40.188 1.895 -9.598 137 HA3 GLY 17 HA1 GLY 17 40.700 0.743 -10.820 138 H ILE 18 HN ILE 18 42.359 0.724 -7.790 139 HA ILE 18 HA ILE 18 40.709 -1.481 -6.788 140 HB ILE 18 HB ILE 18 42.871 -2.680 -6.089 141 HG12 ILE 18 HG12 ILE 18 44.623 -2.344 -8.056 142 HG13 ILE 18 HG11 ILE 18 43.971 -0.711 -8.071 143 HG21 ILE 18 HG21 ILE 18 42.952 -3.908 -8.219 144 HG22 ILE 18 HG22 ILE 18 42.045 -2.609 -8.991 145 HG23 ILE 18 HG23 ILE 18 41.297 -3.566 -7.713 146 HD11 ILE 18 HD11 ILE 18 45.223 -2.091 -5.707 147 HD12 ILE 18 HD12 ILE 18 44.571 -0.454 -5.718 148 HD13 ILE 18 HD13 ILE 18 45.974 -0.850 -6.711 149 H CYS 19 HN CYS 19 40.733 -1.814 -4.570 150 HA CYS 19 HA CYS 19 41.638 0.492 -3.016 151 HB2 CYS 19 HB2 CYS 19 39.255 -0.222 -2.880 152 HB3 CYS 19 HB1 CYS 19 39.785 -1.757 -2.202 153 H VAL 20 HN VAL 20 43.083 0.374 -1.386 154 HA VAL 20 HA VAL 20 44.062 -2.236 -0.511 155 HB VAL 20 HB VAL 20 46.458 -1.340 -0.616 156 HG11 VAL 20 HG11 VAL 20 45.649 -3.142 -2.042 157 HG12 VAL 20 HG12 VAL 20 46.745 -2.092 -2.943 158 HG13 VAL 20 HG13 VAL 20 45.003 -1.967 -3.188 159 HG21 VAL 20 HG21 VAL 20 46.943 0.291 -2.406 160 HG22 VAL 20 HG22 VAL 20 45.979 1.011 -1.115 161 HG23 VAL 20 HG23 VAL 20 45.213 0.546 -2.635 162 HA PRO 21 HA PRO 21 44.194 -0.256 3.493 163 HB2 PRO 21 HB2 PRO 21 46.526 -1.765 4.379 164 HB3 PRO 21 HB1 PRO 21 44.830 -1.973 4.847 165 HG2 PRO 21 HG2 PRO 21 46.169 -3.800 3.385 166 HG3 PRO 21 HG1 PRO 21 44.422 -3.526 3.229 167 HD2 PRO 21 HD2 PRO 21 46.645 -2.539 1.482 168 HD3 PRO 21 HD1 PRO 21 45.064 -3.210 1.030 169 H ASP 22 HN ASP 22 45.352 1.153 4.891 170 HA ASP 22 HA ASP 22 47.820 2.265 3.730 171 HB2 ASP 22 HB2 ASP 22 45.509 3.684 5.061 172 HB3 ASP 22 HB1 ASP 22 47.069 4.452 4.789 173 H ASP 23 HN ASP 23 49.514 1.771 4.970 174 HA ASP 23 HA ASP 23 49.161 1.452 7.860 175 HB2 ASP 23 HB2 ASP 23 50.326 -0.272 6.265 176 HB3 ASP 23 HB1 ASP 23 51.709 0.807 6.411 177 H ASP 24 HN ASP 24 51.170 3.177 5.492 178 HA ASP 24 HA ASP 24 51.884 5.108 7.599 179 HB2 ASP 24 HB2 ASP 24 53.744 3.477 6.752 180 HB3 ASP 24 HB1 ASP 24 53.764 4.515 5.332 181 H TYR 25 HN TYR 25 51.517 4.574 4.098 182 HA TYR 25 HA TYR 25 50.673 7.379 3.838 183 HB2 TYR 25 HB2 TYR 25 51.632 7.330 1.497 184 HB3 TYR 25 HB1 TYR 25 52.811 7.335 2.799 185 HD1 TYR 25 HD1 TYR 25 51.372 5.401 0.046 186 HD2 TYR 25 HD2 TYR 25 54.196 5.369 3.226 187 HE1 TYR 25 HE1 TYR 25 52.448 3.420 -0.936 188 HE2 TYR 25 HE2 TYR 25 55.279 3.386 2.255 189 HH TYR 25 HH TYR 25 54.713 1.534 0.744 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 36.195 6.964 -12.448 2 H2 PHE 1 HT2 PHE 1 36.947 7.967 -11.313 3 H3 PHE 1 HT3 PHE 1 35.264 7.996 -11.484 4 HA PHE 1 HA PHE 1 36.864 5.692 -10.533 5 HB2 PHE 1 HB2 PHE 1 35.102 7.662 -9.060 6 HB3 PHE 1 HB1 PHE 1 35.663 6.147 -8.363 7 HD1 PHE 1 HD1 PHE 1 36.608 9.516 -9.399 8 HD2 PHE 1 HD2 PHE 1 37.987 5.847 -7.742 9 HE1 PHE 1 HE1 PHE 1 38.673 10.631 -8.658 10 HE2 PHE 1 HE2 PHE 1 40.055 6.954 -7.000 11 HZ PHE 1 HZ PHE 1 40.398 9.350 -7.456 12 H GLY 2 HN GLY 2 35.688 3.856 -9.960 13 HA2 GLY 2 HA2 GLY 2 32.866 3.793 -10.823 14 HA3 GLY 2 HA1 GLY 2 34.001 2.571 -11.377 15 H VAL 3 HN VAL 3 31.635 3.203 -9.188 16 HA VAL 3 HA VAL 3 32.421 0.934 -7.532 17 HB VAL 3 HB VAL 3 31.549 2.161 -5.461 18 HG11 VAL 3 HG11 VAL 3 33.874 1.545 -5.749 19 HG12 VAL 3 HG12 VAL 3 33.750 3.127 -4.977 20 HG13 VAL 3 HG13 VAL 3 34.168 3.010 -6.686 21 HG21 VAL 3 HG21 VAL 3 31.859 4.602 -5.417 22 HG22 VAL 3 HG22 VAL 3 30.582 4.129 -6.537 23 HG23 VAL 3 HG23 VAL 3 32.170 4.591 -7.154 24 H LYS 4 HN LYS 4 30.860 -0.475 -7.771 25 HA LYS 4 HA LYS 4 28.085 0.451 -8.052 26 HB2 LYS 4 HB2 LYS 4 29.372 -1.140 -9.744 27 HB3 LYS 4 HB1 LYS 4 28.882 -2.379 -8.598 28 HG2 LYS 4 HG2 LYS 4 27.135 -2.451 -10.075 29 HG3 LYS 4 HG1 LYS 4 26.513 -1.290 -8.903 30 HD2 LYS 4 HD2 LYS 4 27.249 0.554 -10.339 31 HD3 LYS 4 HD1 LYS 4 27.883 -0.606 -11.507 32 HE2 LYS 4 HE2 LYS 4 25.628 -1.501 -11.836 33 HE3 LYS 4 HE1 LYS 4 24.997 -0.338 -10.669 34 HZ1 LYS 4 HZ1 LYS 4 24.658 0.413 -12.938 35 HZ2 LYS 4 HZ2 LYS 4 26.321 0.339 -13.241 36 HZ3 LYS 4 HZ3 LYS 4 25.715 1.453 -12.124 37 H ASP 5 HN ASP 5 30.092 -1.945 -6.346 38 HA ASP 5 HA ASP 5 27.886 -2.519 -4.517 39 HB2 ASP 5 HB2 ASP 5 30.469 -3.915 -5.167 40 HB3 ASP 5 HB1 ASP 5 29.572 -4.303 -3.709 41 H GLY 6 HN GLY 6 31.344 -1.618 -4.433 42 HA2 GLY 6 HA2 GLY 6 32.274 0.024 -3.014 43 HA3 GLY 6 HA1 GLY 6 30.854 -0.090 -1.986 44 H LYS 7 HN LYS 7 34.074 -1.012 -2.418 45 HA LYS 7 HA LYS 7 33.938 -3.255 -0.557 46 HB2 LYS 7 HB2 LYS 7 36.070 -2.150 -2.361 47 HB3 LYS 7 HB1 LYS 7 36.477 -3.264 -1.069 48 HG2 LYS 7 HG2 LYS 7 34.992 -4.940 -2.023 49 HG3 LYS 7 HG1 LYS 7 34.540 -3.816 -3.305 50 HD2 LYS 7 HD2 LYS 7 36.873 -3.759 -4.064 51 HD3 LYS 7 HD1 LYS 7 37.310 -4.899 -2.791 52 HE2 LYS 7 HE2 LYS 7 35.814 -6.566 -3.767 53 HE3 LYS 7 HE1 LYS 7 35.359 -5.424 -5.030 54 HZ1 LYS 7 HZ1 LYS 7 38.089 -6.503 -4.577 55 HZ2 LYS 7 HZ2 LYS 7 37.652 -5.411 -5.792 56 HZ3 LYS 7 HZ3 LYS 7 37.030 -6.983 -5.806 57 H CYS 8 HN CYS 8 35.380 -0.032 -0.840 58 HA CYS 8 HA CYS 8 36.058 -0.115 2.024 59 HB2 CYS 8 HB2 CYS 8 37.601 1.842 1.370 60 HB3 CYS 8 HB1 CYS 8 38.081 0.216 0.891 61 HA PRO 9 HA PRO 9 32.825 3.060 2.080 62 HB2 PRO 9 HB2 PRO 9 32.100 2.789 4.670 63 HB3 PRO 9 HB1 PRO 9 31.622 1.620 3.425 64 HG2 PRO 9 HG2 PRO 9 33.665 1.378 5.550 65 HG3 PRO 9 HG1 PRO 9 32.664 0.128 4.790 66 HD2 PRO 9 HD2 PRO 9 35.355 0.710 4.188 67 HD3 PRO 9 HD1 PRO 9 34.265 -0.340 3.266 68 H SER 10 HN SER 10 34.522 4.671 1.718 69 HA SER 10 HA SER 10 35.672 6.564 2.149 70 HB2 SER 10 HB2 SER 10 33.785 6.735 4.512 71 HB3 SER 10 HB1 SER 10 34.776 8.063 3.910 72 HG SER 10 HG SER 10 33.526 7.190 1.818 73 H GLY 11 HN GLY 11 37.717 6.034 2.516 74 HA2 GLY 11 HA2 GLY 11 39.128 6.679 4.708 75 HA3 GLY 11 HA1 GLY 11 38.601 5.050 5.106 76 H ARG 12 HN ARG 12 38.842 3.649 2.863 77 HA ARG 12 HA ARG 12 41.727 3.684 2.361 78 HB2 ARG 12 HB2 ARG 12 40.345 1.640 3.210 79 HB3 ARG 12 HB1 ARG 12 39.859 1.482 1.530 80 HG2 ARG 12 HG2 ARG 12 42.039 1.013 0.821 81 HG3 ARG 12 HG1 ARG 12 42.748 1.584 2.333 82 HD2 ARG 12 HD2 ARG 12 42.849 -0.767 2.429 83 HD3 ARG 12 HD1 ARG 12 41.502 -0.313 3.467 84 HE ARG 12 HE ARG 12 40.522 -0.827 0.888 85 HH11 ARG 12 HH11 ARG 12 41.085 -4.069 3.191 86 HH12 ARG 12 HH12 ARG 12 41.905 -2.596 3.588 87 HH21 ARG 12 HH21 ARG 12 39.702 -4.164 1.381 88 HH22 ARG 12 HH22 ARG 12 39.459 -2.767 0.387 89 H VAL 13 HN VAL 13 42.483 4.475 0.512 90 HA VAL 13 HA VAL 13 40.993 4.127 -1.961 91 HB VAL 13 HB VAL 13 40.226 6.307 -1.054 92 HG11 VAL 13 HG11 VAL 13 42.202 7.052 0.127 93 HG12 VAL 13 HG12 VAL 13 41.707 8.261 -1.057 94 HG13 VAL 13 HG13 VAL 13 43.081 7.209 -1.393 95 HG21 VAL 13 HG21 VAL 13 40.570 7.632 -3.099 96 HG22 VAL 13 HG22 VAL 13 40.144 5.953 -3.437 97 HG23 VAL 13 HG23 VAL 13 41.817 6.492 -3.607 98 H ARG 14 HN ARG 14 42.266 3.569 -3.588 99 HA ARG 14 HA ARG 14 45.056 4.413 -3.628 100 HB2 ARG 14 HB2 ARG 14 44.123 1.579 -3.555 101 HB3 ARG 14 HB1 ARG 14 45.530 1.973 -4.522 102 HG2 ARG 14 HG2 ARG 14 45.395 2.904 -1.689 103 HG3 ARG 14 HG1 ARG 14 45.806 1.227 -2.037 104 HD2 ARG 14 HD2 ARG 14 47.853 2.418 -1.844 105 HD3 ARG 14 HD1 ARG 14 47.615 2.084 -3.558 106 HE ARG 14 HE ARG 14 46.608 4.651 -2.782 107 HH11 ARG 14 HH11 ARG 14 50.328 4.394 -4.277 108 HH12 ARG 14 HH12 ARG 14 49.543 2.959 -3.708 109 HH21 ARG 14 HH21 ARG 14 47.654 6.517 -3.536 110 HH22 ARG 14 HH22 ARG 14 49.257 6.407 -4.178 111 H ARG 15 HN ARG 15 45.991 3.298 -5.853 112 HA ARG 15 HA ARG 15 44.514 4.699 -7.921 113 HB2 ARG 15 HB2 ARG 15 47.311 3.605 -7.712 114 HB3 ARG 15 HB1 ARG 15 46.659 4.135 -9.254 115 HG2 ARG 15 HG2 ARG 15 46.248 6.367 -8.274 116 HG3 ARG 15 HG1 ARG 15 47.006 5.815 -6.778 117 HD2 ARG 15 HD2 ARG 15 49.086 5.388 -7.988 118 HD3 ARG 15 HD1 ARG 15 48.327 5.917 -9.488 119 HE ARG 15 HE ARG 15 48.194 7.909 -7.446 120 HH11 ARG 15 HH11 ARG 15 51.260 8.015 -10.039 121 HH12 ARG 15 HH12 ARG 15 50.327 6.563 -9.890 122 HH21 ARG 15 HH21 ARG 15 49.428 9.799 -7.658 123 HH22 ARG 15 HH22 ARG 15 50.751 9.845 -8.777 124 H LEU 16 HN LEU 16 44.784 3.630 -10.211 125 HA LEU 16 HA LEU 16 44.243 2.035 -11.723 126 HB2 LEU 16 HB2 LEU 16 44.846 0.115 -9.476 127 HB3 LEU 16 HB1 LEU 16 44.361 -0.405 -11.077 128 HG LEU 16 HG LEU 16 46.431 1.140 -11.773 129 HD11 LEU 16 HD11 LEU 16 46.964 1.819 -9.497 130 HD12 LEU 16 HD12 LEU 16 48.267 0.852 -10.186 131 HD13 LEU 16 HD13 LEU 16 47.152 0.129 -9.026 132 HD21 LEU 16 HD21 LEU 16 47.786 -0.905 -11.827 133 HD22 LEU 16 HD22 LEU 16 46.138 -1.189 -12.386 134 HD23 LEU 16 HD23 LEU 16 46.620 -1.696 -10.766 135 H GLY 17 HN GLY 17 42.558 2.385 -8.786 136 HA2 GLY 17 HA2 GLY 17 40.121 2.697 -9.059 137 HA3 GLY 17 HA1 GLY 17 40.127 1.244 -10.045 138 H ILE 18 HN ILE 18 42.224 0.337 -7.864 139 HA ILE 18 HA ILE 18 40.175 -0.782 -6.083 140 HB ILE 18 HB ILE 18 41.948 -2.467 -5.433 141 HG12 ILE 18 HG12 ILE 18 43.374 -1.971 -8.008 142 HG13 ILE 18 HG11 ILE 18 43.764 -0.897 -6.668 143 HG21 ILE 18 HG21 ILE 18 41.575 -3.848 -7.441 144 HG22 ILE 18 HG22 ILE 18 41.020 -2.418 -8.308 145 HG23 ILE 18 HG23 ILE 18 40.105 -3.016 -6.924 146 HD11 ILE 18 HD11 ILE 18 45.317 -2.749 -6.769 147 HD12 ILE 18 HD12 ILE 18 43.985 -3.900 -6.655 148 HD13 ILE 18 HD13 ILE 18 44.351 -2.838 -5.296 149 H CYS 19 HN CYS 19 40.304 -0.645 -3.892 150 HA CYS 19 HA CYS 19 42.269 1.261 -2.837 151 HB2 CYS 19 HB2 CYS 19 40.618 1.552 -0.958 152 HB3 CYS 19 HB1 CYS 19 40.098 2.132 -2.532 153 H VAL 20 HN VAL 20 43.719 0.638 -1.443 154 HA VAL 20 HA VAL 20 43.258 -1.655 0.295 155 HB VAL 20 HB VAL 20 45.592 -2.575 -0.253 156 HG11 VAL 20 HG11 VAL 20 43.534 -3.763 -0.782 157 HG12 VAL 20 HG12 VAL 20 44.717 -3.979 -2.075 158 HG13 VAL 20 HG13 VAL 20 43.375 -2.854 -2.285 159 HG21 VAL 20 HG21 VAL 20 45.146 -0.889 -2.722 160 HG22 VAL 20 HG22 VAL 20 46.241 -2.268 -2.683 161 HG23 VAL 20 HG23 VAL 20 46.540 -0.878 -1.639 162 HA PRO 21 HA PRO 21 45.633 0.765 3.191 163 HB2 PRO 21 HB2 PRO 21 46.986 -1.543 4.366 164 HB3 PRO 21 HB1 PRO 21 45.683 -0.553 5.047 165 HG2 PRO 21 HG2 PRO 21 45.307 -3.111 4.313 166 HG3 PRO 21 HG1 PRO 21 44.032 -1.882 4.193 167 HD2 PRO 21 HD2 PRO 21 45.819 -2.955 2.040 168 HD3 PRO 21 HD1 PRO 21 44.069 -2.652 2.004 169 H ASP 22 HN ASP 22 47.479 1.909 3.177 170 HA ASP 22 HA ASP 22 49.782 0.838 1.705 171 HB2 ASP 22 HB2 ASP 22 48.955 3.664 2.377 172 HB3 ASP 22 HB1 ASP 22 50.510 3.264 1.656 173 H ASP 23 HN ASP 23 48.772 1.438 4.876 174 HA ASP 23 HA ASP 23 51.449 1.953 5.920 175 HB2 ASP 23 HB2 ASP 23 48.732 1.841 7.234 176 HB3 ASP 23 HB1 ASP 23 50.230 2.029 8.142 177 H ASP 24 HN ASP 24 48.998 -0.590 5.899 178 HA ASP 24 HA ASP 24 50.570 -2.326 7.606 179 HB2 ASP 24 HB2 ASP 24 47.874 -2.556 6.289 180 HB3 ASP 24 HB1 ASP 24 48.640 -3.935 7.063 181 H TYR 25 HN TYR 25 49.566 -2.160 4.208 182 HA TYR 25 HA TYR 25 51.255 -4.475 3.582 183 HB2 TYR 25 HB2 TYR 25 48.790 -4.201 2.786 184 HB3 TYR 25 HB1 TYR 25 49.464 -3.087 1.601 185 HD1 TYR 25 HD1 TYR 25 50.865 -3.899 -0.214 186 HD2 TYR 25 HD2 TYR 25 49.243 -6.587 2.658 187 HE1 TYR 25 HE1 TYR 25 51.416 -5.794 -1.683 188 HE2 TYR 25 HE2 TYR 25 49.790 -8.489 1.198 189 HH TYR 25 HH TYR 25 50.198 -8.919 -1.191
Contact the webmaster for help, if required. Wednesday, April 24, 2024 12:45:04 PM GMT (wattos1)