NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640562 | 6kbo | 36265 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 1.974 -0.970 -1.706 3 HB VAL 1 HB VAL 1 2.186 1.036 -3.112 4 HG11 VAL 1 HG11 VAL 1 0.029 0.891 -3.683 5 HG12 VAL 1 HG12 VAL 1 -0.125 -0.218 -2.319 6 HG13 VAL 1 HG13 VAL 1 -0.516 1.490 -2.116 7 HG21 VAL 1 HG21 VAL 1 1.463 2.410 -0.556 8 HG22 VAL 1 HG22 VAL 1 2.726 2.808 -1.722 9 HG23 VAL 1 HG23 VAL 1 1.036 3.137 -2.105 10 H ALA 2 H ALA 2 4.073 -1.185 -2.288 11 HA ALA 2 HA ALA 2 6.052 0.339 -0.721 12 HB1 ALA 2 HB1 ALA 2 5.769 -2.238 -0.428 13 HB2 ALA 2 HB2 ALA 2 6.696 -2.314 -1.927 14 HB3 ALA 2 HB3 ALA 2 7.381 -1.528 -0.505 15 H ARG 3 H ARG 3 5.572 1.844 -2.657 16 HA ARG 3 HA ARG 3 7.442 1.172 -4.834 17 HB2 ARG 3 HB2 ARG 3 5.543 3.236 -5.547 18 HB3 ARG 3 HB3 ARG 3 5.914 1.727 -6.370 19 HG2 ARG 3 HG2 ARG 3 4.383 0.546 -4.852 20 HG3 ARG 3 HG3 ARG 3 3.980 2.086 -4.091 21 HD2 ARG 3 HD2 ARG 3 3.545 2.697 -6.681 22 HD3 ARG 3 HD3 ARG 3 3.154 0.978 -6.695 23 HE ARG 3 HE ARG 3 1.281 1.418 -5.438 24 HH11 ARG 3 HH11 ARG 3 3.340 4.224 -5.496 25 HH12 ARG 3 HH12 ARG 3 2.161 5.265 -4.769 26 HH21 ARG 3 HH21 ARG 3 -0.279 2.778 -4.479 27 HH22 ARG 3 HH22 ARG 3 0.104 4.441 -4.190 28 H GLY 4 H GLY 4 6.976 3.081 -2.182 29 HA2 GLY 4 HA2 GLY 4 8.337 5.420 -3.325 30 HA3 GLY 4 HA3 GLY 4 7.534 5.361 -1.763 31 H TRP 5 H TRP 5 9.203 2.562 -1.945 32 HA TRP 5 HA TRP 5 11.578 3.752 -0.667 33 HB2 TRP 5 HB2 TRP 5 9.934 1.350 0.028 34 HB3 TRP 5 HB3 TRP 5 11.650 1.355 0.425 35 HD1 TRP 5 HD1 TRP 5 10.334 4.789 0.723 36 HE1 TRP 5 HE1 TRP 5 9.892 5.379 3.189 37 HE3 TRP 5 HE3 TRP 5 10.674 0.108 2.751 38 HZ2 TRP 5 HZ2 TRP 5 9.711 4.038 5.666 39 HZ3 TRP 5 HZ3 TRP 5 10.354 -0.152 5.177 40 HH2 TRP 5 HH2 TRP 5 9.883 1.774 6.603 41 H LYS 6 H LYS 6 10.467 1.989 -3.291 42 HA LYS 6 HA LYS 6 13.163 0.908 -3.794 43 HB2 LYS 6 HB2 LYS 6 12.054 -0.812 -5.214 44 HB3 LYS 6 HB3 LYS 6 11.637 -0.932 -3.509 45 HG2 LYS 6 HG2 LYS 6 9.542 -1.095 -4.277 46 HG3 LYS 6 HG3 LYS 6 9.643 0.663 -4.405 47 HD2 LYS 6 HD2 LYS 6 8.966 0.208 -6.527 48 HD3 LYS 6 HD3 LYS 6 10.705 0.025 -6.765 49 HE2 LYS 6 HE2 LYS 6 10.519 -2.375 -6.491 50 HE3 LYS 6 HE3 LYS 6 8.799 -2.227 -6.136 51 HZ1 LYS 6 HZ1 LYS 6 8.362 -1.534 -8.340 52 HZ2 LYS 6 HZ2 LYS 6 9.351 -2.900 -8.460 53 HZ3 LYS 6 HZ3 LYS 6 10.005 -1.359 -8.701 54 H ARG 7 H ARG 7 10.243 2.252 -5.295 55 HA ARG 7 HA ARG 7 11.465 2.629 -7.848 56 HB2 ARG 7 HB2 ARG 7 8.919 2.497 -7.115 57 HB3 ARG 7 HB3 ARG 7 9.102 4.242 -7.007 58 HG2 ARG 7 HG2 ARG 7 8.256 3.762 -9.163 59 HG3 ARG 7 HG3 ARG 7 9.953 4.203 -9.365 60 HD2 ARG 7 HD2 ARG 7 9.895 1.423 -8.946 61 HD3 ARG 7 HD3 ARG 7 8.605 1.779 -10.094 62 HE ARG 7 HE ARG 7 11.031 3.098 -10.789 63 HH11 ARG 7 HH11 ARG 7 9.391 0.029 -10.894 64 HH12 ARG 7 HH12 ARG 7 10.261 -0.536 -12.281 65 HH21 ARG 7 HH21 ARG 7 12.183 2.366 -12.616 66 HH22 ARG 7 HH22 ARG 7 11.850 0.794 -13.260 67 H LYS 8 H LYS 8 10.594 4.836 -5.196 68 HA LYS 8 HA LYS 8 11.553 7.192 -6.351 69 HB2 LYS 8 HB2 LYS 8 10.954 6.282 -3.584 70 HB3 LYS 8 HB3 LYS 8 11.935 7.731 -3.757 71 HG2 LYS 8 HG2 LYS 8 9.537 8.216 -3.512 72 HG3 LYS 8 HG3 LYS 8 10.203 8.811 -5.034 73 HD2 LYS 8 HD2 LYS 8 8.965 7.388 -6.283 74 HD3 LYS 8 HD3 LYS 8 9.077 6.084 -5.099 75 HE2 LYS 8 HE2 LYS 8 6.954 6.542 -4.592 76 HE3 LYS 8 HE3 LYS 8 7.564 8.001 -3.811 77 HZ1 LYS 8 HZ1 LYS 8 6.939 9.310 -5.559 78 HZ2 LYS 8 HZ2 LYS 8 5.720 8.139 -5.628 79 HZ3 LYS 8 HZ3 LYS 8 7.030 8.060 -6.696 80 H CYS 9 H CYS 9 13.170 5.714 -3.560 81 HA CYS 9 HA CYS 9 15.747 6.209 -4.901 82 HB2 CYS 9 HB2 CYS 9 14.962 6.605 -2.016 83 HB3 CYS 9 HB3 CYS 9 16.642 6.504 -2.528 84 HG CYS 9 HG CYS 9 16.889 8.942 -3.315 85 HA PRO 10 HA PRO 10 16.198 1.813 -4.387 86 HB2 PRO 10 HB2 PRO 10 18.705 1.662 -5.418 87 HB3 PRO 10 HB3 PRO 10 17.262 1.844 -6.423 88 HG2 PRO 10 HG2 PRO 10 19.215 3.924 -5.518 89 HG3 PRO 10 HG3 PRO 10 18.475 3.703 -7.114 90 HD2 PRO 10 HD2 PRO 10 17.589 5.548 -5.341 91 HD3 PRO 10 HD3 PRO 10 16.507 4.725 -6.483 92 H LEU 11 H LEU 11 16.701 3.588 -2.122 93 HA LEU 11 HA LEU 11 19.242 2.678 -1.032 94 HB2 LEU 11 HB2 LEU 11 17.113 4.459 0.143 95 HB3 LEU 11 HB3 LEU 11 18.675 4.114 0.881 96 HG LEU 11 HG LEU 11 18.465 5.415 -1.817 97 HD11 LEU 11 HD11 LEU 11 17.553 7.209 -0.875 98 HD12 LEU 11 HD12 LEU 11 19.060 7.406 0.018 99 HD13 LEU 11 HD13 LEU 11 17.714 6.528 0.745 100 HD21 LEU 11 HD21 LEU 11 20.579 4.883 0.191 101 HD22 LEU 11 HD22 LEU 11 20.665 6.405 -0.696 102 HD23 LEU 11 HD23 LEU 11 20.658 4.873 -1.571 103 H PHE 12 H PHE 12 15.797 2.541 -0.133 104 HA PHE 12 HA PHE 12 16.317 0.554 1.898 105 HB2 PHE 12 HB2 PHE 12 14.490 2.423 1.882 106 HB3 PHE 12 HB3 PHE 12 13.571 1.266 0.927 107 HD1 PHE 12 HD1 PHE 12 14.733 2.176 4.214 108 HD2 PHE 12 HD2 PHE 12 12.994 -0.947 1.905 109 HE1 PHE 12 HE1 PHE 12 14.009 1.055 6.282 110 HE2 PHE 12 HE2 PHE 12 12.266 -2.073 3.968 111 HZ PHE 12 HZ PHE 12 12.773 -1.071 6.160 112 H GLY 13 H GLY 13 15.738 0.548 -1.436 113 HA2 GLY 13 HA2 GLY 13 14.683 -2.200 -1.376 114 HA3 GLY 13 HA3 GLY 13 14.618 -1.116 -2.757 115 H LYS 14 H LYS 14 16.502 -0.781 -4.008 116 HA LYS 14 HA LYS 14 17.996 -3.014 -4.599 117 HB2 LYS 14 HB2 LYS 14 17.727 -0.752 -5.864 118 HB3 LYS 14 HB3 LYS 14 19.166 -0.276 -4.971 119 HG2 LYS 14 HG2 LYS 14 20.416 -1.264 -6.502 120 HG3 LYS 14 HG3 LYS 14 19.691 -2.816 -6.076 121 HD2 LYS 14 HD2 LYS 14 18.750 -2.888 -8.088 122 HD3 LYS 14 HD3 LYS 14 17.807 -1.455 -7.670 123 HE2 LYS 14 HE2 LYS 14 19.924 -0.145 -8.345 124 HE3 LYS 14 HE3 LYS 14 20.414 -1.640 -9.140 125 HZ1 LYS 14 HZ1 LYS 14 19.208 -0.024 -10.582 126 HZ2 LYS 14 HZ2 LYS 14 17.821 -0.296 -9.654 127 HZ3 LYS 14 HZ3 LYS 14 18.514 -1.566 -10.531 128 H GLY 15 H GLY 15 18.989 -0.245 -2.588 129 HA2 GLY 15 HA2 GLY 15 21.518 -1.364 -1.907 130 HA3 GLY 15 HA3 GLY 15 20.736 -0.007 -1.109 131 H GLY 16 H GLY 16 18.336 -1.447 -0.395 132 HA2 GLY 16 HA2 GLY 16 19.048 -2.382 2.131 133 HA3 GLY 16 HA3 GLY 16 17.520 -2.719 1.331 134 H1 LYS 1 H LYS 1 18.250 4.680 4.413 135 HA LYS 1 HA LYS 1 16.796 6.993 5.460 136 HB2 LYS 1 HB2 LYS 1 18.163 6.351 2.888 137 HB3 LYS 1 HB3 LYS 1 16.829 7.497 2.851 138 HG2 LYS 1 HG2 LYS 1 17.947 8.980 4.324 139 HG3 LYS 1 HG3 LYS 1 19.185 7.778 4.698 140 HD2 LYS 1 HD2 LYS 1 19.063 8.203 1.863 141 HD3 LYS 1 HD3 LYS 1 19.242 9.751 2.693 142 HE2 LYS 1 HE2 LYS 1 20.974 7.339 3.215 143 HE3 LYS 1 HE3 LYS 1 21.397 8.634 2.095 144 HZ1 LYS 1 HZ1 LYS 1 20.654 9.692 4.618 145 HZ2 LYS 1 HZ2 LYS 1 22.106 9.875 3.770 146 HZ3 LYS 1 HZ3 LYS 1 21.892 8.554 4.805 147 H TYR 2 H TYR 2 14.767 6.318 5.961 148 HA TYR 2 HA TYR 2 13.202 5.099 3.781 149 HB2 TYR 2 HB2 TYR 2 11.801 4.543 6.099 150 HB3 TYR 2 HB3 TYR 2 12.832 3.417 5.222 151 HD1 TYR 2 HD1 TYR 2 12.581 5.618 8.144 152 HD2 TYR 2 HD2 TYR 2 15.031 2.837 6.055 153 HE1 TYR 2 HE1 TYR 2 14.037 5.427 10.118 154 HE2 TYR 2 HE2 TYR 2 16.493 2.638 8.023 155 HH TYR 2 HH TYR 2 17.035 3.597 10.018 156 H GLU 3 H GLU 3 12.833 7.027 6.760 157 HA GLU 3 HA GLU 3 10.312 8.056 6.258 158 HB2 GLU 3 HB2 GLU 3 10.960 9.924 7.758 159 HB3 GLU 3 HB3 GLU 3 11.367 8.343 8.409 160 HG2 GLU 3 HG2 GLU 3 13.672 8.926 7.168 161 HG3 GLU 3 HG3 GLU 3 13.118 10.553 7.559 162 H ILE 4 H ILE 4 13.471 9.346 5.289 163 HA ILE 4 HA ILE 4 12.381 11.635 3.975 164 HB ILE 4 HB ILE 4 14.582 12.103 3.216 165 HG12 ILE 4 HG12 ILE 4 16.307 10.113 3.886 166 HG13 ILE 4 HG13 ILE 4 14.896 9.172 3.416 167 HG21 ILE 4 HG21 ILE 4 14.676 10.786 5.925 168 HG22 ILE 4 HG22 ILE 4 15.924 11.856 5.289 169 HG23 ILE 4 HG23 ILE 4 14.297 12.472 5.574 170 HD11 ILE 4 HD11 ILE 4 16.792 9.988 1.706 171 HD12 ILE 4 HD12 ILE 4 15.116 9.691 1.242 172 HD13 ILE 4 HD13 ILE 4 15.661 11.335 1.576 173 H THR 5 H THR 5 12.113 8.481 3.206 174 HA THR 5 HA THR 5 12.363 8.891 0.309 175 HB THR 5 HB THR 5 11.632 6.201 1.235 176 HG1 THR 5 HG1 THR 5 13.996 7.486 2.117 177 HG21 THR 5 HG21 THR 5 13.153 7.500 -0.870 178 HG22 THR 5 HG22 THR 5 12.389 5.911 -0.850 179 HG23 THR 5 HG23 THR 5 14.010 6.119 -0.189 180 H THR 6 H THR 6 10.074 8.366 2.856 181 HA THR 6 HA THR 6 7.906 8.220 0.863 182 HB THR 6 HB THR 6 7.871 6.189 2.117 183 HG1 THR 6 HG1 THR 6 5.925 7.649 3.522 184 HG21 THR 6 HG21 THR 6 9.255 6.981 4.013 185 HG22 THR 6 HG22 THR 6 7.823 6.095 4.538 186 HG23 THR 6 HG23 THR 6 7.856 7.855 4.635 187 H ILE 7 H ILE 7 9.395 10.228 3.014 188 HA ILE 7 HA ILE 7 6.920 11.766 3.462 189 HB ILE 7 HB ILE 7 9.358 11.883 5.232 190 HG12 ILE 7 HG12 ILE 7 8.355 9.630 5.322 191 HG13 ILE 7 HG13 ILE 7 8.130 10.505 6.833 192 HG21 ILE 7 HG21 ILE 7 7.557 12.826 6.808 193 HG22 ILE 7 HG22 ILE 7 8.156 13.856 5.509 194 HG23 ILE 7 HG23 ILE 7 6.599 13.045 5.343 195 HD11 ILE 7 HD11 ILE 7 6.184 9.258 5.239 196 HD12 ILE 7 HD12 ILE 7 5.946 10.210 6.705 197 HD13 ILE 7 HD13 ILE 7 5.899 10.995 5.126 198 H HIS 8 H HIS 8 9.704 11.664 1.733 199 HA HIS 8 HA HIS 8 9.924 14.601 1.626 200 HB2 HIS 8 HB2 HIS 8 11.937 12.843 2.207 201 HB3 HIS 8 HB3 HIS 8 12.137 13.046 0.469 202 HD1 HIS 8 HD1 HIS 8 12.412 15.620 -0.331 203 HD2 HIS 8 HD2 HIS 8 12.991 14.852 3.710 204 HE1 HIS 8 HE1 HIS 8 13.647 17.619 0.563 205 H ASN 9 H ASN 9 9.070 11.785 -0.060 206 HA ASN 9 HA ASN 9 9.652 12.672 -2.710 207 HB2 ASN 9 HB2 ASN 9 9.435 10.363 -2.586 208 HB3 ASN 9 HB3 ASN 9 8.035 10.448 -1.520 209 HD21 ASN 9 HD21 ASN 9 6.252 9.791 -2.450 210 HD22 ASN 9 HD22 ASN 9 5.830 9.987 -4.114 211 H LEU 10 H LEU 10 6.525 12.228 -1.045 212 HA LEU 10 HA LEU 10 5.493 14.513 -2.591 213 HB2 LEU 10 HB2 LEU 10 3.494 13.443 -3.024 214 HB3 LEU 10 HB3 LEU 10 4.677 12.150 -3.215 215 HG LEU 10 HG LEU 10 3.952 11.906 -0.580 216 HD11 LEU 10 HD11 LEU 10 2.110 13.632 -1.322 217 HD12 LEU 10 HD12 LEU 10 1.724 12.287 -0.250 218 HD13 LEU 10 HD13 LEU 10 1.337 12.184 -1.968 219 HD21 LEU 10 HD21 LEU 10 4.086 10.311 -2.718 220 HD22 LEU 10 HD22 LEU 10 2.333 10.431 -2.570 221 HD23 LEU 10 HD23 LEU 10 3.294 9.833 -1.217 222 H PHE 11 H PHE 11 6.235 13.360 0.416 223 HA PHE 11 HA PHE 11 4.155 14.977 1.728 224 HB2 PHE 11 HB2 PHE 11 5.373 12.414 2.372 225 HB3 PHE 11 HB3 PHE 11 5.471 13.544 3.718 226 HD1 PHE 11 HD1 PHE 11 3.940 12.569 5.206 227 HD2 PHE 11 HD2 PHE 11 2.777 13.375 1.191 228 HE1 PHE 11 HE1 PHE 11 1.601 12.078 5.788 229 HE2 PHE 11 HE2 PHE 11 0.436 12.886 1.767 230 HZ PHE 11 HZ PHE 11 -0.155 12.237 4.068 231 H ARG 12 H ARG 12 6.779 15.802 0.474 232 HA ARG 12 HA ARG 12 8.730 16.450 2.300 233 HB2 ARG 12 HB2 ARG 12 9.198 18.433 0.823 234 HB3 ARG 12 HB3 ARG 12 9.107 16.888 -0.013 235 HG2 ARG 12 HG2 ARG 12 6.749 17.442 -0.618 236 HG3 ARG 12 HG3 ARG 12 7.017 19.049 0.059 237 HD2 ARG 12 HD2 ARG 12 7.354 19.167 -2.308 238 HD3 ARG 12 HD3 ARG 12 8.922 19.326 -1.518 239 HE ARG 12 HE ARG 12 8.697 16.660 -2.057 240 HH11 ARG 12 HH11 ARG 12 8.519 19.579 -3.947 241 HH12 ARG 12 HH12 ARG 12 9.122 18.835 -5.391 242 HH21 ARG 12 HH21 ARG 12 9.492 15.670 -3.952 243 HH22 ARG 12 HH22 ARG 12 9.675 16.612 -5.393 244 H LYS 13 H LYS 13 5.623 17.986 1.782 245 HA LYS 13 HA LYS 13 6.191 19.781 4.050 246 HB2 LYS 13 HB2 LYS 13 5.546 20.546 1.488 247 HB3 LYS 13 HB3 LYS 13 3.982 20.573 2.293 248 HG2 LYS 13 HG2 LYS 13 4.564 22.290 3.677 249 HG3 LYS 13 HG3 LYS 13 6.280 21.879 3.648 250 HD2 LYS 13 HD2 LYS 13 5.199 22.672 1.045 251 HD3 LYS 13 HD3 LYS 13 5.125 23.941 2.270 252 HE2 LYS 13 HE2 LYS 13 7.617 23.095 2.702 253 HE3 LYS 13 HE3 LYS 13 7.472 22.645 1.004 254 HZ1 LYS 13 HZ1 LYS 13 6.486 25.133 0.986 255 HZ2 LYS 13 HZ2 LYS 13 8.102 24.753 0.663 256 HZ3 LYS 13 HZ3 LYS 13 7.648 25.268 2.209 257 H LEU 14 H LEU 14 5.041 17.021 3.940 258 HA LEU 14 HA LEU 14 2.473 17.629 5.251 259 HB2 LEU 14 HB2 LEU 14 3.211 15.542 3.278 260 HB3 LEU 14 HB3 LEU 14 2.098 15.082 4.565 261 HG LEU 14 HG LEU 14 0.975 15.747 2.458 262 HD11 LEU 14 HD11 LEU 14 -0.725 16.251 3.784 263 HD12 LEU 14 HD12 LEU 14 -0.075 17.872 4.028 264 HD13 LEU 14 HD13 LEU 14 0.399 16.561 5.107 265 HD21 LEU 14 HD21 LEU 14 1.613 18.597 3.019 266 HD22 LEU 14 HD22 LEU 14 1.165 17.814 1.503 267 HD23 LEU 14 HD23 LEU 14 2.798 17.627 2.145 268 H THR 15 H THR 15 2.419 17.135 7.334 269 HA THR 15 HA THR 15 4.362 16.323 8.960 270 HB THR 15 HB THR 15 2.002 14.869 9.785 271 HG1 THR 15 HG1 THR 15 0.624 16.126 8.738 272 HG21 THR 15 HG21 THR 15 3.307 17.414 10.759 273 HG22 THR 15 HG22 THR 15 3.649 15.779 11.326 274 HG23 THR 15 HG23 THR 15 2.072 16.506 11.630 275 H HIS 16 H HIS 16 5.690 14.648 9.119 276 HA HIS 16 HA HIS 16 5.732 12.438 7.499 277 HB2 HIS 16 HB2 HIS 16 7.161 11.372 9.290 278 HB3 HIS 16 HB3 HIS 16 7.677 12.975 8.773 279 HD1 HIS 16 HD1 HIS 16 7.200 14.955 10.459 280 HD2 HIS 16 HD2 HIS 16 6.521 11.140 11.959 281 HE1 HIS 16 HE1 HIS 16 7.062 15.229 12.955 282 H ARG 17 H ARG 17 3.866 11.308 7.214 283 HA ARG 17 HA ARG 17 2.829 9.880 9.574 284 HB2 ARG 17 HB2 ARG 17 1.446 11.621 7.772 285 HB3 ARG 17 HB3 ARG 17 0.815 9.991 7.579 286 HG2 ARG 17 HG2 ARG 17 -0.339 10.155 9.459 287 HG3 ARG 17 HG3 ARG 17 1.107 10.606 10.365 288 HD2 ARG 17 HD2 ARG 17 0.673 12.925 9.143 289 HD3 ARG 17 HD3 ARG 17 -0.982 12.316 9.129 290 HE ARG 17 HE ARG 17 -0.045 11.980 11.708 291 HH11 ARG 17 HH11 ARG 17 -0.606 14.621 9.510 292 HH12 ARG 17 HH12 ARG 17 -0.943 15.766 10.766 293 HH21 ARG 17 HH21 ARG 17 -0.487 13.477 13.371 294 HH22 ARG 17 HH22 ARG 17 -0.874 15.114 12.962 295 H LEU 18 H LEU 18 3.035 9.787 6.020 296 HA LEU 18 HA LEU 18 2.366 7.106 5.672 297 HB2 LEU 18 HB2 LEU 18 4.312 8.709 4.022 298 HB3 LEU 18 HB3 LEU 18 3.443 7.264 3.510 299 HG LEU 18 HG LEU 18 1.988 9.770 4.298 300 HD11 LEU 18 HD11 LEU 18 3.102 9.063 1.588 301 HD12 LEU 18 HD12 LEU 18 3.521 10.461 2.578 302 HD13 LEU 18 HD13 LEU 18 1.904 10.323 1.888 303 HD21 LEU 18 HD21 LEU 18 0.668 7.743 4.159 304 HD22 LEU 18 HD22 LEU 18 1.301 7.411 2.546 305 HD23 LEU 18 HD23 LEU 18 0.269 8.816 2.817 306 H PHE 19 H PHE 19 5.113 8.457 7.119 307 HA PHE 19 HA PHE 19 7.153 6.692 6.469 308 HB2 PHE 19 HB2 PHE 19 7.697 8.614 7.760 309 HB3 PHE 19 HB3 PHE 19 6.549 8.180 9.022 310 HD1 PHE 19 HD1 PHE 19 7.932 8.078 10.904 311 HD2 PHE 19 HD2 PHE 19 9.011 5.959 7.374 312 HE1 PHE 19 HE1 PHE 19 9.727 6.937 12.142 313 HE2 PHE 19 HE2 PHE 19 10.807 4.814 8.606 314 HZ PHE 19 HZ PHE 19 11.166 5.302 10.993 315 H ARG 20 H ARG 20 4.847 6.460 9.176 316 HA ARG 20 HA ARG 20 5.448 3.578 9.314 317 HB2 ARG 20 HB2 ARG 20 4.765 3.682 11.682 318 HB3 ARG 20 HB3 ARG 20 6.140 4.724 11.342 319 HG2 ARG 20 HG2 ARG 20 3.808 6.276 10.984 320 HG3 ARG 20 HG3 ARG 20 3.632 5.392 12.502 321 HD2 ARG 20 HD2 ARG 20 6.054 7.019 11.739 322 HD3 ARG 20 HD3 ARG 20 4.732 7.610 12.745 323 HE ARG 20 HE ARG 20 6.858 5.865 13.541 324 HH11 ARG 20 HH11 ARG 20 3.556 6.779 14.161 325 HH12 ARG 20 HH12 ARG 20 3.584 6.253 15.812 326 HH21 ARG 20 HH21 ARG 20 6.907 5.169 15.713 327 HH22 ARG 20 HH22 ARG 20 5.490 5.338 16.694 328 H ARG 21 H ARG 21 3.080 5.931 8.692 329 HA ARG 21 HA ARG 21 0.822 4.221 9.322 330 HB2 ARG 21 HB2 ARG 21 0.854 6.886 7.896 331 HB3 ARG 21 HB3 ARG 21 -0.553 6.071 8.564 332 HG2 ARG 21 HG2 ARG 21 1.781 7.011 10.213 333 HG3 ARG 21 HG3 ARG 21 0.312 7.951 9.945 334 HD2 ARG 21 HD2 ARG 21 -0.134 5.197 10.858 335 HD3 ARG 21 HD3 ARG 21 0.701 6.233 12.016 336 HE ARG 21 HE ARG 21 -2.050 6.359 11.278 337 HH11 ARG 21 HH11 ARG 21 0.666 8.282 12.300 338 HH12 ARG 21 HH12 ARG 21 -0.313 9.521 13.012 339 HH21 ARG 21 HH21 ARG 21 -3.349 7.984 12.212 340 HH22 ARG 21 HH22 ARG 21 -2.597 9.351 12.962 341 H ASN 22 H ASN 22 2.904 4.801 6.686 342 HA ASN 22 HA ASN 22 1.048 3.388 4.884 343 HB2 ASN 22 HB2 ASN 22 1.619 5.835 4.331 344 HB3 ASN 22 HB3 ASN 22 3.224 5.237 3.924 345 HD21 ASN 22 HD21 ASN 22 -0.170 5.117 3.109 346 HD22 ASN 22 HD22 ASN 22 0.038 4.509 1.506 347 H PHE 23 H PHE 23 4.473 3.985 5.618 348 HA PHE 23 HA PHE 23 5.152 1.430 4.342 349 HB2 PHE 23 HB2 PHE 23 6.785 3.853 5.073 350 HB3 PHE 23 HB3 PHE 23 7.544 2.313 4.681 351 HD1 PHE 23 HD1 PHE 23 7.886 1.680 2.461 352 HD2 PHE 23 HD2 PHE 23 5.270 4.918 3.349 353 HE1 PHE 23 HE1 PHE 23 7.754 2.225 0.065 354 HE2 PHE 23 HE2 PHE 23 5.132 5.467 0.954 355 HZ PHE 23 HZ PHE 23 6.374 4.119 -0.691 356 H GLY 24 H GLY 24 4.037 2.133 7.168 357 HA2 GLY 24 HA2 GLY 24 6.126 0.829 8.773 358 HA3 GLY 24 HA3 GLY 24 4.754 1.722 9.410 359 H TYR 25 H TYR 25 3.064 0.227 7.333 360 HA TYR 25 HA TYR 25 2.223 -1.848 9.102 361 HB2 TYR 25 HB2 TYR 25 1.165 -0.488 6.830 362 HB3 TYR 25 HB3 TYR 25 1.088 -2.218 6.516 363 HD1 TYR 25 HD1 TYR 25 0.605 -0.165 9.605 364 HD2 TYR 25 HD2 TYR 25 -1.054 -2.988 6.888 365 HE1 TYR 25 HE1 TYR 25 -1.409 -0.323 11.008 366 HE2 TYR 25 HE2 TYR 25 -3.073 -3.152 8.283 367 HH TYR 25 HH TYR 25 -3.800 -0.956 10.733 368 H THR 26 H THR 26 4.554 -1.663 6.644 369 HA THR 26 HA THR 26 4.478 -4.523 6.062 370 HB THR 26 HB THR 26 5.782 -2.166 4.811 371 HG1 THR 26 HG1 THR 26 5.139 -3.418 2.934 372 HG21 THR 26 HG21 THR 26 7.740 -3.493 5.292 373 HG22 THR 26 HG22 THR 26 7.356 -3.644 3.577 374 HG23 THR 26 HG23 THR 26 6.947 -4.949 4.691 375 H LEU 27 H LEU 27 6.876 -2.127 7.177 376 HA LEU 27 HA LEU 27 8.756 -4.109 7.987 377 HB2 LEU 27 HB2 LEU 27 8.827 -1.401 7.546 378 HB3 LEU 27 HB3 LEU 27 8.973 -1.509 9.300 379 HG LEU 27 HG LEU 27 10.814 -2.710 7.237 380 HD11 LEU 27 HD11 LEU 27 11.218 -0.598 9.350 381 HD12 LEU 27 HD12 LEU 27 11.141 -0.335 7.608 382 HD13 LEU 27 HD13 LEU 27 12.476 -1.255 8.302 383 HD21 LEU 27 HD21 LEU 27 10.596 -4.301 9.022 384 HD22 LEU 27 HD22 LEU 27 10.783 -3.034 10.234 385 HD23 LEU 27 HD23 LEU 27 12.141 -3.468 9.195 386 H ARG 28 H ARG 28 5.837 -3.415 9.245 387 HA ARG 28 HA ARG 28 6.278 -3.154 12.006 388 HB2 ARG 28 HB2 ARG 28 4.073 -3.184 10.391 389 HB3 ARG 28 HB3 ARG 28 3.917 -4.725 11.225 390 HG2 ARG 28 HG2 ARG 28 4.456 -2.237 12.784 391 HG3 ARG 28 HG3 ARG 28 2.823 -2.597 12.221 392 HD2 ARG 28 HD2 ARG 28 3.305 -4.945 13.273 393 HD3 ARG 28 HD3 ARG 28 4.521 -4.058 14.192 394 HE ARG 28 HE ARG 28 2.129 -2.649 14.386 395 HH11 ARG 28 HH11 ARG 28 3.431 -5.734 15.339 396 HH12 ARG 28 HH12 ARG 28 2.420 -5.875 16.738 397 HH21 ARG 28 HH21 ARG 28 0.793 -2.823 16.226 398 HH22 ARG 28 HH22 ARG 28 0.919 -4.219 17.242 Start of MODEL 2 1 H1 VAL 1 H VAL 1 4.094 -4.945 -2.708 2 HA VAL 1 HA VAL 1 3.632 -2.823 -1.940 3 HB VAL 1 HB VAL 1 3.405 -2.745 0.544 4 HG11 VAL 1 HG11 VAL 1 2.320 -5.339 -0.506 5 HG12 VAL 1 HG12 VAL 1 1.572 -4.205 0.621 6 HG13 VAL 1 HG13 VAL 1 1.730 -3.781 -1.084 7 HG21 VAL 1 HG21 VAL 1 3.820 -4.868 1.779 8 HG22 VAL 1 HG22 VAL 1 4.667 -5.477 0.357 9 HG23 VAL 1 HG23 VAL 1 5.288 -4.068 1.217 10 H ALA 2 H ALA 2 6.356 -3.061 -2.735 11 HA ALA 2 HA ALA 2 7.634 -1.215 -0.824 12 HB1 ALA 2 HB1 ALA 2 9.248 -2.905 -2.685 13 HB2 ALA 2 HB2 ALA 2 9.701 -2.192 -1.137 14 HB3 ALA 2 HB3 ALA 2 8.629 -3.592 -1.182 15 H ARG 3 H ARG 3 6.440 0.414 -2.122 16 HA ARG 3 HA ARG 3 7.919 1.077 -4.584 17 HB2 ARG 3 HB2 ARG 3 5.704 2.435 -5.038 18 HB3 ARG 3 HB3 ARG 3 5.817 0.726 -5.441 19 HG2 ARG 3 HG2 ARG 3 4.667 0.140 -3.386 20 HG3 ARG 3 HG3 ARG 3 4.603 1.841 -2.921 21 HD2 ARG 3 HD2 ARG 3 2.599 1.857 -3.913 22 HD3 ARG 3 HD3 ARG 3 3.502 1.873 -5.427 23 HE ARG 3 HE ARG 3 3.225 -0.783 -4.661 24 HH11 ARG 3 HH11 ARG 3 1.187 1.880 -5.598 25 HH12 ARG 3 HH12 ARG 3 -0.042 0.868 -6.281 26 HH21 ARG 3 HH21 ARG 3 1.614 -2.125 -5.559 27 HH22 ARG 3 HH22 ARG 3 0.201 -1.410 -6.258 28 H GLY 4 H GLY 4 6.989 2.048 -1.451 29 HA2 GLY 4 HA2 GLY 4 7.110 4.870 -1.786 30 HA3 GLY 4 HA3 GLY 4 7.244 4.001 -0.264 31 H TRP 5 H TRP 5 9.532 2.457 -1.661 32 HA TRP 5 HA TRP 5 11.581 4.549 -1.330 33 HB2 TRP 5 HB2 TRP 5 11.979 1.668 -0.533 34 HB3 TRP 5 HB3 TRP 5 12.988 3.056 -0.135 35 HD1 TRP 5 HD1 TRP 5 10.806 5.021 1.011 36 HE1 TRP 5 HE1 TRP 5 9.657 4.502 3.255 37 HE3 TRP 5 HE3 TRP 5 11.660 -0.016 1.215 38 HZ2 TRP 5 HZ2 TRP 5 9.177 2.256 4.895 39 HZ3 TRP 5 HZ3 TRP 5 10.823 -1.276 3.156 40 HH2 TRP 5 HH2 TRP 5 9.608 -0.162 4.957 41 H LYS 6 H LYS 6 10.179 2.459 -3.440 42 HA LYS 6 HA LYS 6 12.661 2.143 -4.998 43 HB2 LYS 6 HB2 LYS 6 11.906 -0.038 -4.501 44 HB3 LYS 6 HB3 LYS 6 10.224 0.387 -4.795 45 HG2 LYS 6 HG2 LYS 6 11.906 0.777 -7.134 46 HG3 LYS 6 HG3 LYS 6 11.907 -0.889 -6.551 47 HD2 LYS 6 HD2 LYS 6 9.243 0.250 -6.544 48 HD3 LYS 6 HD3 LYS 6 9.977 0.315 -8.148 49 HE2 LYS 6 HE2 LYS 6 10.429 -2.227 -6.813 50 HE3 LYS 6 HE3 LYS 6 8.715 -1.863 -7.005 51 HZ1 LYS 6 HZ1 LYS 6 9.083 -2.796 -9.010 52 HZ2 LYS 6 HZ2 LYS 6 10.733 -2.423 -9.027 53 HZ3 LYS 6 HZ3 LYS 6 9.593 -1.235 -9.419 54 H ARG 7 H ARG 7 9.193 2.826 -5.165 55 HA ARG 7 HA ARG 7 9.262 3.527 -7.945 56 HB2 ARG 7 HB2 ARG 7 7.264 2.735 -6.395 57 HB3 ARG 7 HB3 ARG 7 7.078 4.465 -6.143 58 HG2 ARG 7 HG2 ARG 7 5.990 4.643 -8.058 59 HG3 ARG 7 HG3 ARG 7 7.384 3.998 -8.929 60 HD2 ARG 7 HD2 ARG 7 6.365 1.727 -7.884 61 HD3 ARG 7 HD3 ARG 7 4.890 2.674 -8.085 62 HE ARG 7 HE ARG 7 6.169 2.934 -10.471 63 HH11 ARG 7 HH11 ARG 7 5.167 0.224 -8.528 64 HH12 ARG 7 HH12 ARG 7 4.919 -0.824 -9.885 65 HH21 ARG 7 HH21 ARG 7 5.845 1.563 -12.265 66 HH22 ARG 7 HH22 ARG 7 5.306 -0.062 -12.010 67 H LYS 8 H LYS 8 8.938 5.379 -4.922 68 HA LYS 8 HA LYS 8 8.949 7.922 -6.155 69 HB2 LYS 8 HB2 LYS 8 9.254 6.886 -3.386 70 HB3 LYS 8 HB3 LYS 8 9.831 8.517 -3.699 71 HG2 LYS 8 HG2 LYS 8 7.736 9.136 -3.257 72 HG3 LYS 8 HG3 LYS 8 7.377 8.557 -4.885 73 HD2 LYS 8 HD2 LYS 8 6.953 6.290 -3.846 74 HD3 LYS 8 HD3 LYS 8 7.024 7.095 -2.276 75 HE2 LYS 8 HE2 LYS 8 5.302 8.652 -3.830 76 HE3 LYS 8 HE3 LYS 8 4.869 6.982 -4.193 77 HZ1 LYS 8 HZ1 LYS 8 4.361 6.553 -1.978 78 HZ2 LYS 8 HZ2 LYS 8 3.732 8.104 -2.228 79 HZ3 LYS 8 HZ3 LYS 8 5.198 7.909 -1.407 80 H CYS 9 H CYS 9 11.473 6.903 -3.891 81 HA CYS 9 HA CYS 9 13.479 7.906 -5.803 82 HB2 CYS 9 HB2 CYS 9 13.750 8.035 -2.800 83 HB3 CYS 9 HB3 CYS 9 14.747 8.836 -4.009 84 HG CYS 9 HG CYS 9 13.483 11.050 -3.793 85 HA PRO 10 HA PRO 10 15.003 3.737 -5.468 86 HB2 PRO 10 HB2 PRO 10 17.144 4.089 -7.098 87 HB3 PRO 10 HB3 PRO 10 15.495 3.904 -7.706 88 HG2 PRO 10 HG2 PRO 10 17.096 6.402 -7.301 89 HG3 PRO 10 HG3 PRO 10 16.053 5.950 -8.661 90 HD2 PRO 10 HD2 PRO 10 15.245 7.638 -6.704 91 HD3 PRO 10 HD3 PRO 10 14.126 6.546 -7.545 92 H LEU 11 H LEU 11 15.626 5.636 -3.363 93 HA LEU 11 HA LEU 11 18.473 5.605 -2.964 94 HB2 LEU 11 HB2 LEU 11 16.103 6.567 -1.453 95 HB3 LEU 11 HB3 LEU 11 17.590 6.270 -0.554 96 HG LEU 11 HG LEU 11 17.692 7.993 -2.988 97 HD11 LEU 11 HD11 LEU 11 17.348 9.874 -1.152 98 HD12 LEU 11 HD12 LEU 11 16.318 8.634 -0.440 99 HD13 LEU 11 HD13 LEU 11 16.001 9.208 -2.075 100 HD21 LEU 11 HD21 LEU 11 19.807 7.792 -2.183 101 HD22 LEU 11 HD22 LEU 11 19.273 7.517 -0.525 102 HD23 LEU 11 HD23 LEU 11 19.273 9.150 -1.193 103 H PHE 12 H PHE 12 15.764 4.168 -1.134 104 HA PHE 12 HA PHE 12 17.609 2.214 0.007 105 HB2 PHE 12 HB2 PHE 12 16.152 3.273 1.601 106 HB3 PHE 12 HB3 PHE 12 14.733 2.897 0.630 107 HD1 PHE 12 HD1 PHE 12 17.542 1.212 2.403 108 HD2 PHE 12 HD2 PHE 12 13.477 1.039 1.155 109 HE1 PHE 12 HE1 PHE 12 17.252 -0.887 3.652 110 HE2 PHE 12 HE2 PHE 12 13.179 -1.060 2.403 111 HZ PHE 12 HZ PHE 12 15.068 -2.026 3.653 112 H GLY 13 H GLY 13 14.863 2.429 -2.160 113 HA2 GLY 13 HA2 GLY 13 14.318 -0.353 -2.316 114 HA3 GLY 13 HA3 GLY 13 13.820 0.864 -3.481 115 H LYS 14 H LYS 14 15.465 1.573 -5.058 116 HA LYS 14 HA LYS 14 16.791 -0.720 -6.173 117 HB2 LYS 14 HB2 LYS 14 17.089 2.094 -7.188 118 HB3 LYS 14 HB3 LYS 14 17.138 0.588 -8.095 119 HG2 LYS 14 HG2 LYS 14 14.695 1.801 -6.816 120 HG3 LYS 14 HG3 LYS 14 15.091 1.819 -8.536 121 HD2 LYS 14 HD2 LYS 14 15.263 -0.847 -7.908 122 HD3 LYS 14 HD3 LYS 14 13.922 -0.300 -6.897 123 HE2 LYS 14 HE2 LYS 14 12.888 -0.918 -8.890 124 HE3 LYS 14 HE3 LYS 14 13.049 0.832 -9.035 125 HZ1 LYS 14 HZ1 LYS 14 13.705 -0.216 -11.078 126 HZ2 LYS 14 HZ2 LYS 14 14.816 -1.207 -10.276 127 HZ3 LYS 14 HZ3 LYS 14 15.073 0.463 -10.352 128 H GLY 15 H GLY 15 17.692 1.982 -4.217 129 HA2 GLY 15 HA2 GLY 15 20.518 1.776 -4.825 130 HA3 GLY 15 HA3 GLY 15 19.779 2.838 -3.636 131 H GLY 16 H GLY 16 18.472 1.151 -1.972 132 HA2 GLY 16 HA2 GLY 16 20.675 -0.056 -0.547 133 HA3 GLY 16 HA3 GLY 16 19.012 0.065 0.007 134 H1 LYS 1 H LYS 1 17.531 1.710 4.527 135 HA LYS 1 HA LYS 1 18.481 4.460 4.836 136 HB2 LYS 1 HB2 LYS 1 19.028 2.445 2.977 137 HB3 LYS 1 HB3 LYS 1 18.039 3.606 2.100 138 HG2 LYS 1 HG2 LYS 1 19.819 4.882 1.814 139 HG3 LYS 1 HG3 LYS 1 19.950 5.082 3.563 140 HD2 LYS 1 HD2 LYS 1 21.447 3.286 3.766 141 HD3 LYS 1 HD3 LYS 1 21.049 2.661 2.164 142 HE2 LYS 1 HE2 LYS 1 21.949 5.111 1.506 143 HE3 LYS 1 HE3 LYS 1 22.900 4.819 2.962 144 HZ1 LYS 1 HZ1 LYS 1 23.263 2.516 1.755 145 HZ2 LYS 1 HZ2 LYS 1 24.248 3.853 1.441 146 HZ3 LYS 1 HZ3 LYS 1 22.991 3.462 0.379 147 H TYR 2 H TYR 2 15.609 2.722 4.334 148 HA TYR 2 HA TYR 2 14.093 4.281 2.652 149 HB2 TYR 2 HB2 TYR 2 12.147 3.603 4.210 150 HB3 TYR 2 HB3 TYR 2 13.064 2.324 3.421 151 HD1 TYR 2 HD1 TYR 2 14.173 0.677 4.687 152 HD2 TYR 2 HD2 TYR 2 12.671 4.155 6.622 153 HE1 TYR 2 HE1 TYR 2 14.635 -0.349 6.874 154 HE2 TYR 2 HE2 TYR 2 13.129 3.140 8.816 155 HH TYR 2 HH TYR 2 14.399 1.449 9.832 156 H GLU 3 H GLU 3 15.069 4.934 5.947 157 HA GLU 3 HA GLU 3 13.346 6.880 6.770 158 HB2 GLU 3 HB2 GLU 3 15.511 7.970 7.771 159 HB3 GLU 3 HB3 GLU 3 14.964 6.399 8.339 160 HG2 GLU 3 HG2 GLU 3 16.819 5.395 7.647 161 HG3 GLU 3 HG3 GLU 3 16.742 6.171 6.065 162 H ILE 4 H ILE 4 16.287 7.460 4.838 163 HA ILE 4 HA ILE 4 15.846 10.202 4.433 164 HB ILE 4 HB ILE 4 17.312 8.331 2.573 165 HG12 ILE 4 HG12 ILE 4 19.181 9.655 4.139 166 HG13 ILE 4 HG13 ILE 4 17.913 9.232 5.283 167 HG21 ILE 4 HG21 ILE 4 17.057 10.386 1.478 168 HG22 ILE 4 HG22 ILE 4 17.317 11.307 2.959 169 HG23 ILE 4 HG23 ILE 4 18.665 10.464 2.196 170 HD11 ILE 4 HD11 ILE 4 19.028 7.193 3.401 171 HD12 ILE 4 HD12 ILE 4 19.839 7.584 4.917 172 HD13 ILE 4 HD13 ILE 4 18.192 6.956 4.935 173 H THR 5 H THR 5 14.254 7.502 3.139 174 HA THR 5 HA THR 5 13.340 8.937 0.761 175 HB THR 5 HB THR 5 12.206 6.271 1.322 176 HG1 THR 5 HG1 THR 5 14.988 6.651 0.816 177 HG21 THR 5 HG21 THR 5 13.049 7.922 -0.957 178 HG22 THR 5 HG22 THR 5 11.734 6.753 -0.827 179 HG23 THR 5 HG23 THR 5 13.379 6.199 -1.137 180 H THR 6 H THR 6 12.318 8.079 3.935 181 HA THR 6 HA THR 6 9.565 8.923 3.309 182 HB THR 6 HB THR 6 9.333 6.787 4.205 183 HG1 THR 6 HG1 THR 6 8.060 8.270 5.395 184 HG21 THR 6 HG21 THR 6 11.268 5.943 5.005 185 HG22 THR 6 HG22 THR 6 10.631 6.465 6.565 186 HG23 THR 6 HG23 THR 6 11.776 7.484 5.692 187 H ILE 7 H ILE 7 12.347 10.133 4.468 188 HA ILE 7 HA ILE 7 11.009 11.813 6.486 189 HB ILE 7 HB ILE 7 13.926 11.103 6.190 190 HG12 ILE 7 HG12 ILE 7 12.433 9.433 7.289 191 HG13 ILE 7 HG13 ILE 7 13.673 10.074 8.364 192 HG21 ILE 7 HG21 ILE 7 14.133 12.478 8.332 193 HG22 ILE 7 HG22 ILE 7 13.976 13.359 6.814 194 HG23 ILE 7 HG23 ILE 7 12.582 13.186 7.882 195 HD11 ILE 7 HD11 ILE 7 10.981 9.904 8.893 196 HD12 ILE 7 HD12 ILE 7 12.160 10.874 9.776 197 HD13 ILE 7 HD13 ILE 7 11.213 11.603 8.480 198 H HIS 8 H HIS 8 12.780 11.772 3.507 199 HA HIS 8 HA HIS 8 12.860 14.711 3.474 200 HB2 HIS 8 HB2 HIS 8 14.739 12.730 2.662 201 HB3 HIS 8 HB3 HIS 8 14.212 13.595 1.221 202 HD1 HIS 8 HD1 HIS 8 16.096 14.048 4.412 203 HD2 HIS 8 HD2 HIS 8 14.986 16.288 1.093 204 HE1 HIS 8 HE1 HIS 8 17.455 16.161 4.541 205 H ASN 9 H ASN 9 11.061 12.131 2.378 206 HA ASN 9 HA ASN 9 10.031 13.701 0.106 207 HB2 ASN 9 HB2 ASN 9 9.809 10.703 0.344 208 HB3 ASN 9 HB3 ASN 9 9.548 11.703 -1.083 209 HD21 ASN 9 HD21 ASN 9 11.793 13.334 -0.916 210 HD22 ASN 9 HD22 ASN 9 13.199 12.372 -1.206 211 H LEU 10 H LEU 10 9.323 13.413 3.086 212 HA LEU 10 HA LEU 10 6.470 12.783 2.694 213 HB2 LEU 10 HB2 LEU 10 6.368 11.762 4.705 214 HB3 LEU 10 HB3 LEU 10 8.078 11.489 4.377 215 HG LEU 10 HG LEU 10 6.998 13.733 6.078 216 HD11 LEU 10 HD11 LEU 10 7.033 12.408 7.871 217 HD12 LEU 10 HD12 LEU 10 8.549 11.649 7.389 218 HD13 LEU 10 HD13 LEU 10 7.021 11.063 6.729 219 HD21 LEU 10 HD21 LEU 10 9.631 13.234 6.736 220 HD22 LEU 10 HD22 LEU 10 9.037 14.573 5.753 221 HD23 LEU 10 HD23 LEU 10 9.610 13.094 4.978 222 H PHE 11 H PHE 11 8.766 15.165 3.543 223 HA PHE 11 HA PHE 11 6.997 16.841 5.059 224 HB2 PHE 11 HB2 PHE 11 9.767 16.765 4.510 225 HB3 PHE 11 HB3 PHE 11 9.180 18.306 3.892 226 HD1 PHE 11 HD1 PHE 11 8.093 16.335 6.854 227 HD2 PHE 11 HD2 PHE 11 9.891 19.907 5.397 228 HE1 PHE 11 HE1 PHE 11 8.112 17.252 9.137 229 HE2 PHE 11 HE2 PHE 11 9.914 20.829 7.678 230 HZ PHE 11 HZ PHE 11 9.025 19.501 9.552 231 H ARG 12 H ARG 12 7.242 16.098 1.812 232 HA ARG 12 HA ARG 12 6.148 18.698 0.976 233 HB2 ARG 12 HB2 ARG 12 7.471 16.483 -0.589 234 HB3 ARG 12 HB3 ARG 12 6.630 17.824 -1.355 235 HG2 ARG 12 HG2 ARG 12 8.249 19.332 -0.818 236 HG3 ARG 12 HG3 ARG 12 8.728 18.464 0.641 237 HD2 ARG 12 HD2 ARG 12 10.085 17.004 -0.510 238 HD3 ARG 12 HD3 ARG 12 9.194 17.200 -2.018 239 HE ARG 12 HE ARG 12 11.457 18.689 -1.185 240 HH11 ARG 12 HH11 ARG 12 8.429 18.993 -2.876 241 HH12 ARG 12 HH12 ARG 12 8.958 20.323 -3.852 242 HH21 ARG 12 HH21 ARG 12 12.165 20.439 -2.464 243 HH22 ARG 12 HH22 ARG 12 11.084 21.144 -3.617 244 H LYS 13 H LYS 13 5.565 15.231 0.983 245 HA LYS 13 HA LYS 13 2.803 15.760 0.100 246 HB2 LYS 13 HB2 LYS 13 4.252 13.148 -0.305 247 HB3 LYS 13 HB3 LYS 13 2.742 13.674 -1.038 248 HG2 LYS 13 HG2 LYS 13 4.158 15.534 -2.111 249 HG3 LYS 13 HG3 LYS 13 5.539 14.524 -1.674 250 HD2 LYS 13 HD2 LYS 13 4.103 12.644 -2.830 251 HD3 LYS 13 HD3 LYS 13 3.355 14.021 -3.642 252 HE2 LYS 13 HE2 LYS 13 6.058 14.558 -3.809 253 HE3 LYS 13 HE3 LYS 13 5.974 12.813 -4.035 254 HZ1 LYS 13 HZ1 LYS 13 5.795 14.145 -6.112 255 HZ2 LYS 13 HZ2 LYS 13 4.313 14.742 -5.557 256 HZ3 LYS 13 HZ3 LYS 13 4.499 13.088 -5.856 257 H LEU 14 H LEU 14 3.808 15.808 2.808 258 HA LEU 14 HA LEU 14 3.498 13.541 4.310 259 HB2 LEU 14 HB2 LEU 14 3.702 16.246 4.817 260 HB3 LEU 14 HB3 LEU 14 2.142 15.818 5.516 261 HG LEU 14 HG LEU 14 4.425 14.072 6.219 262 HD11 LEU 14 HD11 LEU 14 4.728 15.937 8.129 263 HD12 LEU 14 HD12 LEU 14 4.382 16.972 6.744 264 HD13 LEU 14 HD13 LEU 14 5.736 15.845 6.685 265 HD21 LEU 14 HD21 LEU 14 3.267 13.803 8.214 266 HD22 LEU 14 HD22 LEU 14 1.976 13.982 7.026 267 HD23 LEU 14 HD23 LEU 14 2.427 15.345 8.052 268 H THR 15 H THR 15 1.029 15.409 2.714 269 HA THR 15 HA THR 15 -1.267 14.662 4.034 270 HB THR 15 HB THR 15 -1.113 16.216 2.052 271 HG1 THR 15 HG1 THR 15 -3.144 14.281 1.657 272 HG21 THR 15 HG21 THR 15 0.045 14.257 0.705 273 HG22 THR 15 HG22 THR 15 -0.955 15.460 -0.108 274 HG23 THR 15 HG23 THR 15 -1.623 13.875 0.282 275 H HIS 16 H HIS 16 0.691 12.778 1.813 276 HA HIS 16 HA HIS 16 -1.174 10.653 1.482 277 HB2 HIS 16 HB2 HIS 16 1.830 10.638 1.120 278 HB3 HIS 16 HB3 HIS 16 0.711 9.419 0.514 279 HD1 HIS 16 HD1 HIS 16 2.558 10.986 -1.396 280 HD2 HIS 16 HD2 HIS 16 -1.357 12.060 -0.514 281 HE1 HIS 16 HE1 HIS 16 1.793 12.389 -3.337 282 H ARG 17 H ARG 17 -1.733 9.158 2.910 283 HA ARG 17 HA ARG 17 -0.071 8.763 5.284 284 HB2 ARG 17 HB2 ARG 17 -2.044 7.620 6.218 285 HB3 ARG 17 HB3 ARG 17 -2.417 9.255 5.686 286 HG2 ARG 17 HG2 ARG 17 -2.901 7.496 3.513 287 HG3 ARG 17 HG3 ARG 17 -3.670 6.824 4.952 288 HD2 ARG 17 HD2 ARG 17 -4.047 9.590 3.816 289 HD3 ARG 17 HD3 ARG 17 -5.224 8.277 3.822 290 HE ARG 17 HE ARG 17 -4.585 10.048 5.998 291 HH11 ARG 17 HH11 ARG 17 -5.890 6.945 5.109 292 HH12 ARG 17 HH12 ARG 17 -6.826 6.778 6.558 293 HH21 ARG 17 HH21 ARG 17 -5.812 9.839 7.909 294 HH22 ARG 17 HH22 ARG 17 -6.781 8.426 8.150 295 H LEU 18 H LEU 18 0.739 7.663 2.732 296 HA LEU 18 HA LEU 18 0.562 4.787 3.354 297 HB2 LEU 18 HB2 LEU 18 1.080 5.972 0.637 298 HB3 LEU 18 HB3 LEU 18 0.753 4.285 1.031 299 HG LEU 18 HG LEU 18 -1.328 6.345 1.612 300 HD11 LEU 18 HD11 LEU 18 -2.091 5.473 -0.825 301 HD12 LEU 18 HD12 LEU 18 -0.346 5.576 -1.051 302 HD13 LEU 18 HD13 LEU 18 -1.253 6.998 -0.539 303 HD21 LEU 18 HD21 LEU 18 -1.111 3.541 1.756 304 HD22 LEU 18 HD22 LEU 18 -2.232 3.899 0.442 305 HD23 LEU 18 HD23 LEU 18 -2.534 4.539 2.058 306 H PHE 19 H PHE 19 2.498 6.991 4.144 307 HA PHE 19 HA PHE 19 4.946 5.658 3.188 308 HB2 PHE 19 HB2 PHE 19 4.272 8.318 2.828 309 HB3 PHE 19 HB3 PHE 19 5.335 8.358 4.230 310 HD1 PHE 19 HD1 PHE 19 7.183 6.143 3.582 311 HD2 PHE 19 HD2 PHE 19 5.570 9.223 1.126 312 HE1 PHE 19 HE1 PHE 19 9.142 5.986 2.103 313 HE2 PHE 19 HE2 PHE 19 7.526 9.068 -0.357 314 HZ PHE 19 HZ PHE 19 9.315 7.448 0.129 315 H ARG 20 H ARG 20 3.388 7.317 5.893 316 HA ARG 20 HA ARG 20 5.379 6.145 7.712 317 HB2 ARG 20 HB2 ARG 20 3.493 8.479 8.036 318 HB3 ARG 20 HB3 ARG 20 4.402 7.790 9.374 319 HG2 ARG 20 HG2 ARG 20 5.631 8.935 6.875 320 HG3 ARG 20 HG3 ARG 20 5.457 9.795 8.407 321 HD2 ARG 20 HD2 ARG 20 6.671 7.503 9.215 322 HD3 ARG 20 HD3 ARG 20 7.368 7.715 7.610 323 HE ARG 20 HE ARG 20 8.598 9.445 8.438 324 HH11 ARG 20 HH11 ARG 20 5.877 8.911 10.542 325 HH12 ARG 20 HH12 ARG 20 6.391 10.074 11.719 326 HH21 ARG 20 HH21 ARG 20 9.286 10.979 9.980 327 HH22 ARG 20 HH22 ARG 20 8.330 11.251 11.397 328 H ARG 21 H ARG 21 1.966 6.306 6.964 329 HA ARG 21 HA ARG 21 1.262 4.697 9.287 330 HB2 ARG 21 HB2 ARG 21 -0.300 6.112 7.151 331 HB3 ARG 21 HB3 ARG 21 -1.069 4.873 8.134 332 HG2 ARG 21 HG2 ARG 21 -0.645 6.114 10.140 333 HG3 ARG 21 HG3 ARG 21 0.320 7.296 9.254 334 HD2 ARG 21 HD2 ARG 21 -1.542 8.214 8.206 335 HD3 ARG 21 HD3 ARG 21 -2.533 6.788 8.505 336 HE ARG 21 HE ARG 21 -3.102 7.658 10.540 337 HH11 ARG 21 HH11 ARG 21 -0.292 9.325 9.341 338 HH12 ARG 21 HH12 ARG 21 -0.298 10.514 10.601 339 HH21 ARG 21 HH21 ARG 21 -3.121 9.218 12.205 340 HH22 ARG 21 HH22 ARG 21 -1.907 10.452 12.231 341 H ASN 22 H ASN 22 2.309 4.194 6.141 342 HA ASN 22 HA ASN 22 1.159 1.480 6.120 343 HB2 ASN 22 HB2 ASN 22 0.352 3.037 4.289 344 HB3 ASN 22 HB3 ASN 22 2.000 3.028 3.667 345 HD21 ASN 22 HD21 ASN 22 -0.833 1.852 2.981 346 HD22 ASN 22 HD22 ASN 22 -0.433 0.275 2.396 347 H PHE 23 H PHE 23 3.953 3.474 5.252 348 HA PHE 23 HA PHE 23 5.606 1.049 5.133 349 HB2 PHE 23 HB2 PHE 23 5.952 3.819 4.009 350 HB3 PHE 23 HB3 PHE 23 7.321 2.722 4.167 351 HD1 PHE 23 HD1 PHE 23 3.825 2.689 2.858 352 HD2 PHE 23 HD2 PHE 23 7.866 1.455 2.339 353 HE1 PHE 23 HE1 PHE 23 3.228 1.644 0.711 354 HE2 PHE 23 HE2 PHE 23 7.275 0.409 0.192 355 HZ PHE 23 HZ PHE 23 4.954 0.503 -0.625 356 H GLY 24 H GLY 24 4.618 2.909 7.469 357 HA2 GLY 24 HA2 GLY 24 7.277 3.301 8.690 358 HA3 GLY 24 HA3 GLY 24 5.837 4.209 9.127 359 H TYR 25 H TYR 25 4.110 1.863 9.154 360 HA TYR 25 HA TYR 25 4.579 1.066 11.857 361 HB2 TYR 25 HB2 TYR 25 2.384 1.097 10.085 362 HB3 TYR 25 HB3 TYR 25 2.619 -0.586 10.546 363 HD1 TYR 25 HD1 TYR 25 2.449 -1.258 12.914 364 HD2 TYR 25 HD2 TYR 25 1.602 2.721 11.665 365 HE1 TYR 25 HE1 TYR 25 1.305 -0.837 15.051 366 HE2 TYR 25 HE2 TYR 25 0.457 3.153 13.799 367 HH TYR 25 HH TYR 25 0.813 1.700 16.405 368 H THR 26 H THR 26 5.716 -0.052 8.901 369 HA THR 26 HA THR 26 5.987 -2.827 9.740 370 HB THR 26 HB THR 26 6.356 -1.357 7.189 371 HG1 THR 26 HG1 THR 26 5.394 -3.392 6.468 372 HG21 THR 26 HG21 THR 26 8.573 -2.289 7.437 373 HG22 THR 26 HG22 THR 26 7.683 -3.229 6.240 374 HG23 THR 26 HG23 THR 26 7.901 -3.859 7.873 375 H LEU 27 H LEU 27 8.151 -0.185 8.710 376 HA LEU 27 HA LEU 27 10.527 -1.538 9.473 377 HB2 LEU 27 HB2 LEU 27 11.665 0.451 8.945 378 HB3 LEU 27 HB3 LEU 27 10.322 0.341 7.810 379 HG LEU 27 HG LEU 27 9.160 1.889 9.634 380 HD11 LEU 27 HD11 LEU 27 10.646 2.361 11.256 381 HD12 LEU 27 HD12 LEU 27 11.227 3.555 10.096 382 HD13 LEU 27 HD13 LEU 27 12.039 1.996 10.237 383 HD21 LEU 27 HD21 LEU 27 10.265 2.215 7.103 384 HD22 LEU 27 HD22 LEU 27 10.924 3.546 8.055 385 HD23 LEU 27 HD23 LEU 27 9.178 3.325 7.937 386 H ARG 28 H ARG 28 8.107 -0.361 11.351 387 HA ARG 28 HA ARG 28 9.893 0.466 13.532 388 HB2 ARG 28 HB2 ARG 28 8.170 2.082 13.075 389 HB3 ARG 28 HB3 ARG 28 6.925 0.842 13.126 390 HG2 ARG 28 HG2 ARG 28 6.921 0.737 15.409 391 HG3 ARG 28 HG3 ARG 28 8.600 1.265 15.544 392 HD2 ARG 28 HD2 ARG 28 7.006 3.323 14.330 393 HD3 ARG 28 HD3 ARG 28 6.278 2.813 15.852 394 HE ARG 28 HE ARG 28 8.986 3.163 16.332 395 HH11 ARG 28 HH11 ARG 28 6.265 5.100 15.350 396 HH12 ARG 28 HH12 ARG 28 6.883 6.557 16.054 397 HH21 ARG 28 HH21 ARG 28 9.809 5.076 17.263 398 HH22 ARG 28 HH22 ARG 28 8.899 6.543 17.141 Start of MODEL 3 1 H1 VAL 1 H VAL 1 2.607 -1.325 -3.685 2 HA VAL 1 HA VAL 1 1.583 -0.441 -1.596 3 HB VAL 1 HB VAL 1 2.509 -3.062 -0.424 4 HG11 VAL 1 HG11 VAL 1 2.455 -1.423 1.255 5 HG12 VAL 1 HG12 VAL 1 0.972 -0.703 0.624 6 HG13 VAL 1 HG13 VAL 1 0.922 -2.280 1.413 7 HG21 VAL 1 HG21 VAL 1 0.747 -3.876 -1.614 8 HG22 VAL 1 HG22 VAL 1 -0.133 -3.268 -0.211 9 HG23 VAL 1 HG23 VAL 1 -0.068 -2.314 -1.692 10 H ALA 2 H ALA 2 4.429 -1.637 -2.846 11 HA ALA 2 HA ALA 2 6.026 -0.181 -0.839 12 HB1 ALA 2 HB1 ALA 2 6.319 -2.746 -1.090 13 HB2 ALA 2 HB2 ALA 2 7.210 -2.325 -2.554 14 HB3 ALA 2 HB3 ALA 2 7.749 -1.717 -0.989 15 H ARG 3 H ARG 3 5.436 1.678 -2.260 16 HA ARG 3 HA ARG 3 7.237 1.820 -4.589 17 HB2 ARG 3 HB2 ARG 3 5.038 3.775 -4.451 18 HB3 ARG 3 HB3 ARG 3 5.651 2.862 -5.823 19 HG2 ARG 3 HG2 ARG 3 4.433 0.886 -5.052 20 HG3 ARG 3 HG3 ARG 3 3.807 1.813 -3.686 21 HD2 ARG 3 HD2 ARG 3 2.061 2.085 -5.115 22 HD3 ARG 3 HD3 ARG 3 3.053 3.443 -5.644 23 HE ARG 3 HE ARG 3 3.324 2.398 -7.654 24 HH11 ARG 3 HH11 ARG 3 2.291 0.050 -5.301 25 HH12 ARG 3 HH12 ARG 3 2.107 -1.224 -6.461 26 HH21 ARG 3 HH21 ARG 3 3.086 0.729 -9.190 27 HH22 ARG 3 HH22 ARG 3 2.560 -0.837 -8.673 28 H GLY 4 H GLY 4 6.495 3.047 -1.516 29 HA2 GLY 4 HA2 GLY 4 7.530 5.700 -1.892 30 HA3 GLY 4 HA3 GLY 4 7.160 4.933 -0.355 31 H TRP 5 H TRP 5 8.974 2.654 -1.533 32 HA TRP 5 HA TRP 5 11.503 3.912 -0.693 33 HB2 TRP 5 HB2 TRP 5 10.402 1.159 -0.160 34 HB3 TRP 5 HB3 TRP 5 12.123 1.508 -0.019 35 HD1 TRP 5 HD1 TRP 5 10.646 4.566 1.118 36 HE1 TRP 5 HE1 TRP 5 10.370 4.625 3.677 37 HE3 TRP 5 HE3 TRP 5 11.243 -0.414 2.114 38 HZ2 TRP 5 HZ2 TRP 5 10.401 2.801 5.832 39 HZ3 TRP 5 HZ3 TRP 5 11.105 -1.173 4.450 40 HH2 TRP 5 HH2 TRP 5 10.694 0.402 6.269 41 H LYS 6 H LYS 6 9.853 2.365 -3.198 42 HA LYS 6 HA LYS 6 12.379 1.674 -4.548 43 HB2 LYS 6 HB2 LYS 6 11.089 -0.299 -4.403 44 HB3 LYS 6 HB3 LYS 6 9.600 0.547 -4.806 45 HG2 LYS 6 HG2 LYS 6 11.599 0.753 -6.905 46 HG3 LYS 6 HG3 LYS 6 11.164 -0.918 -6.533 47 HD2 LYS 6 HD2 LYS 6 8.839 0.817 -6.650 48 HD3 LYS 6 HD3 LYS 6 9.757 0.834 -8.158 49 HE2 LYS 6 HE2 LYS 6 9.333 -1.820 -6.953 50 HE3 LYS 6 HE3 LYS 6 7.880 -1.011 -7.540 51 HZ1 LYS 6 HZ1 LYS 6 9.808 -2.370 -9.027 52 HZ2 LYS 6 HZ2 LYS 6 9.910 -0.738 -9.459 53 HZ3 LYS 6 HZ3 LYS 6 8.438 -1.558 -9.596 54 H ARG 7 H ARG 7 9.169 3.103 -5.041 55 HA ARG 7 HA ARG 7 9.889 4.138 -7.638 56 HB2 ARG 7 HB2 ARG 7 7.525 3.427 -6.634 57 HB3 ARG 7 HB3 ARG 7 7.487 5.126 -6.182 58 HG2 ARG 7 HG2 ARG 7 6.926 5.709 -8.241 59 HG3 ARG 7 HG3 ARG 7 8.332 4.874 -8.906 60 HD2 ARG 7 HD2 ARG 7 6.764 2.763 -8.381 61 HD3 ARG 7 HD3 ARG 7 5.522 3.983 -8.663 62 HE ARG 7 HE ARG 7 7.498 4.011 -10.709 63 HH11 ARG 7 HH11 ARG 7 4.693 2.291 -9.572 64 HH12 ARG 7 HH12 ARG 7 4.262 1.695 -11.139 65 HH21 ARG 7 HH21 ARG 7 6.939 3.231 -12.779 66 HH22 ARG 7 HH22 ARG 7 5.540 2.230 -12.963 67 H LYS 8 H LYS 8 9.107 5.549 -4.464 68 HA LYS 8 HA LYS 8 9.576 8.221 -5.137 69 HB2 LYS 8 HB2 LYS 8 9.428 6.658 -2.621 70 HB3 LYS 8 HB3 LYS 8 10.237 8.217 -2.527 71 HG2 LYS 8 HG2 LYS 8 7.875 8.389 -1.950 72 HG3 LYS 8 HG3 LYS 8 8.255 9.320 -3.401 73 HD2 LYS 8 HD2 LYS 8 7.096 7.901 -4.781 74 HD3 LYS 8 HD3 LYS 8 7.322 6.510 -3.719 75 HE2 LYS 8 HE2 LYS 8 5.489 6.988 -2.485 76 HE3 LYS 8 HE3 LYS 8 5.725 8.731 -2.615 77 HZ1 LYS 8 HZ1 LYS 8 3.919 7.163 -4.015 78 HZ2 LYS 8 HZ2 LYS 8 5.077 7.658 -5.144 79 HZ3 LYS 8 HZ3 LYS 8 4.237 8.810 -4.234 80 H CYS 9 H CYS 9 11.730 6.420 -2.960 81 HA CYS 9 HA CYS 9 14.017 7.638 -4.364 82 HB2 CYS 9 HB2 CYS 9 13.239 7.851 -1.622 83 HB3 CYS 9 HB3 CYS 9 14.755 6.963 -1.702 84 HG CYS 9 HG CYS 9 15.227 9.403 -3.708 85 HA PRO 10 HA PRO 10 15.056 3.356 -5.050 86 HB2 PRO 10 HB2 PRO 10 17.324 3.853 -6.455 87 HB3 PRO 10 HB3 PRO 10 15.708 4.009 -7.153 88 HG2 PRO 10 HG2 PRO 10 17.518 6.135 -6.074 89 HG3 PRO 10 HG3 PRO 10 16.526 6.149 -7.545 90 HD2 PRO 10 HD2 PRO 10 15.763 7.387 -5.260 91 HD3 PRO 10 HD3 PRO 10 14.599 6.667 -6.391 92 H LEU 11 H LEU 11 15.741 4.639 -2.521 93 HA LEU 11 HA LEU 11 18.538 3.979 -2.082 94 HB2 LEU 11 HB2 LEU 11 16.389 5.296 -0.489 95 HB3 LEU 11 HB3 LEU 11 17.780 4.612 0.348 96 HG LEU 11 HG LEU 11 18.314 6.467 -1.907 97 HD11 LEU 11 HD11 LEU 11 17.390 8.283 -1.025 98 HD12 LEU 11 HD12 LEU 11 18.032 7.911 0.575 99 HD13 LEU 11 HD13 LEU 11 16.496 7.215 0.057 100 HD21 LEU 11 HD21 LEU 11 20.139 5.390 -0.707 101 HD22 LEU 11 HD22 LEU 11 19.546 6.055 0.816 102 HD23 LEU 11 HD23 LEU 11 20.154 7.133 -0.440 103 H PHE 12 H PHE 12 15.344 2.749 -1.306 104 HA PHE 12 HA PHE 12 16.579 0.474 0.092 105 HB2 PHE 12 HB2 PHE 12 14.273 2.067 0.662 106 HB3 PHE 12 HB3 PHE 12 13.751 0.413 0.359 107 HD1 PHE 12 HD1 PHE 12 13.392 -0.723 2.313 108 HD2 PHE 12 HD2 PHE 12 16.703 1.940 2.061 109 HE1 PHE 12 HE1 PHE 12 14.068 -1.353 4.593 110 HE2 PHE 12 HE2 PHE 12 17.385 1.313 4.340 111 HZ PHE 12 HZ PHE 12 16.068 -0.336 5.609 112 H GLY 13 H GLY 13 14.673 1.419 -2.648 113 HA2 GLY 13 HA2 GLY 13 13.633 -1.150 -3.294 114 HA3 GLY 13 HA3 GLY 13 13.746 0.225 -4.382 115 H LYS 14 H LYS 14 15.501 0.426 -5.750 116 HA LYS 14 HA LYS 14 16.704 -1.934 -6.646 117 HB2 LYS 14 HB2 LYS 14 17.936 -0.581 -8.161 118 HB3 LYS 14 HB3 LYS 14 16.380 0.213 -7.944 119 HG2 LYS 14 HG2 LYS 14 17.410 1.772 -6.356 120 HG3 LYS 14 HG3 LYS 14 18.970 0.988 -6.615 121 HD2 LYS 14 HD2 LYS 14 17.333 2.279 -8.795 122 HD3 LYS 14 HD3 LYS 14 18.652 3.079 -7.934 123 HE2 LYS 14 HE2 LYS 14 20.115 2.165 -9.328 124 HE3 LYS 14 HE3 LYS 14 19.596 0.557 -8.824 125 HZ1 LYS 14 HZ1 LYS 14 18.836 2.102 -11.186 126 HZ2 LYS 14 HZ2 LYS 14 17.654 1.107 -10.497 127 HZ3 LYS 14 HZ3 LYS 14 19.116 0.441 -11.025 128 H GLY 15 H GLY 15 17.622 0.270 -4.144 129 HA2 GLY 15 HA2 GLY 15 20.276 -0.996 -3.954 130 HA3 GLY 15 HA3 GLY 15 19.841 0.551 -3.244 131 H GLY 16 H GLY 16 17.852 -2.341 -3.064 132 HA2 GLY 16 HA2 GLY 16 17.976 -2.181 -0.153 133 HA3 GLY 16 HA3 GLY 16 16.841 -3.136 -1.096 134 H1 LYS 1 H LYS 1 18.471 2.418 5.752 135 HA LYS 1 HA LYS 1 17.587 5.064 6.704 136 HB2 LYS 1 HB2 LYS 1 19.079 4.207 4.261 137 HB3 LYS 1 HB3 LYS 1 18.021 5.607 4.155 138 HG2 LYS 1 HG2 LYS 1 19.305 6.858 5.604 139 HG3 LYS 1 HG3 LYS 1 20.036 5.435 6.351 140 HD2 LYS 1 HD2 LYS 1 21.131 5.015 4.087 141 HD3 LYS 1 HD3 LYS 1 20.634 6.656 3.668 142 HE2 LYS 1 HE2 LYS 1 22.856 6.818 4.461 143 HE3 LYS 1 HE3 LYS 1 21.824 7.417 5.759 144 HZ1 LYS 1 HZ1 LYS 1 22.618 5.874 7.112 145 HZ2 LYS 1 HZ2 LYS 1 23.717 5.408 5.914 146 HZ3 LYS 1 HZ3 LYS 1 22.219 4.631 6.035 147 H TYR 2 H TYR 2 15.426 4.700 6.975 148 HA TYR 2 HA TYR 2 13.933 3.856 4.578 149 HB2 TYR 2 HB2 TYR 2 12.170 3.409 6.601 150 HB3 TYR 2 HB3 TYR 2 13.234 2.180 5.924 151 HD1 TYR 2 HD1 TYR 2 15.272 1.505 7.125 152 HD2 TYR 2 HD2 TYR 2 12.531 4.291 8.807 153 HE1 TYR 2 HE1 TYR 2 16.299 1.173 9.335 154 HE2 TYR 2 HE2 TYR 2 13.551 3.968 11.021 155 HH TYR 2 HH TYR 2 14.871 2.333 12.218 156 H GLU 3 H GLU 3 13.636 5.751 7.582 157 HA GLU 3 HA GLU 3 11.368 7.202 6.921 158 HB2 GLU 3 HB2 GLU 3 12.268 8.937 8.503 159 HB3 GLU 3 HB3 GLU 3 12.202 7.305 9.153 160 HG2 GLU 3 HG2 GLU 3 14.613 7.057 8.626 161 HG3 GLU 3 HG3 GLU 3 14.637 8.752 8.142 162 H ILE 4 H ILE 4 14.770 7.970 6.267 163 HA ILE 4 HA ILE 4 14.244 10.448 4.986 164 HB ILE 4 HB ILE 4 16.531 10.433 4.285 165 HG12 ILE 4 HG12 ILE 4 17.644 8.032 5.134 166 HG13 ILE 4 HG13 ILE 4 16.151 7.544 4.339 167 HG21 ILE 4 HG21 ILE 4 16.225 9.143 6.992 168 HG22 ILE 4 HG22 ILE 4 17.687 9.944 6.418 169 HG23 ILE 4 HG23 ILE 4 16.200 10.869 6.632 170 HD11 ILE 4 HD11 ILE 4 17.986 7.523 2.775 171 HD12 ILE 4 HD12 ILE 4 16.838 8.789 2.339 172 HD13 ILE 4 HD13 ILE 4 18.352 9.208 3.141 173 H THR 5 H THR 5 13.562 7.338 4.034 174 HA THR 5 HA THR 5 13.884 7.913 1.174 175 HB THR 5 HB THR 5 13.194 5.314 2.559 176 HG1 THR 5 HG1 THR 5 15.570 6.497 1.685 177 HG21 THR 5 HG21 THR 5 12.198 5.495 0.310 178 HG22 THR 5 HG22 THR 5 13.471 4.275 0.376 179 HG23 THR 5 HG23 THR 5 13.792 5.849 -0.352 180 H THR 6 H THR 6 11.512 7.559 3.665 181 HA THR 6 HA THR 6 9.352 7.638 1.666 182 HB THR 6 HB THR 6 8.133 7.248 4.123 183 HG1 THR 6 HG1 THR 6 9.960 6.699 5.225 184 HG21 THR 6 HG21 THR 6 8.839 5.540 1.792 185 HG22 THR 6 HG22 THR 6 7.256 5.999 2.417 186 HG23 THR 6 HG23 THR 6 8.197 4.751 3.232 187 H ILE 7 H ILE 7 11.107 9.617 3.651 188 HA ILE 7 HA ILE 7 8.851 11.440 4.139 189 HB ILE 7 HB ILE 7 11.595 11.349 5.391 190 HG12 ILE 7 HG12 ILE 7 8.843 10.991 6.596 191 HG13 ILE 7 HG13 ILE 7 9.942 9.677 6.194 192 HG21 ILE 7 HG21 ILE 7 10.052 13.148 6.820 193 HG22 ILE 7 HG22 ILE 7 11.378 13.538 5.725 194 HG23 ILE 7 HG23 ILE 7 9.717 13.537 5.133 195 HD11 ILE 7 HD11 ILE 7 9.959 11.533 8.468 196 HD12 ILE 7 HD12 ILE 7 10.513 9.862 8.353 197 HD13 ILE 7 HD13 ILE 7 11.535 11.173 7.764 198 H HIS 8 H HIS 8 12.044 11.191 2.682 199 HA HIS 8 HA HIS 8 12.347 13.897 1.961 200 HB2 HIS 8 HB2 HIS 8 14.090 11.989 1.944 201 HB3 HIS 8 HB3 HIS 8 13.461 11.620 0.341 202 HD1 HIS 8 HD1 HIS 8 13.656 13.641 -1.439 203 HD2 HIS 8 HD2 HIS 8 15.949 13.980 2.009 204 HE1 HIS 8 HE1 HIS 8 15.399 15.379 -1.958 205 H ASN 9 H ASN 9 10.685 11.213 0.444 206 HA ASN 9 HA ASN 9 9.955 12.945 -1.818 207 HB2 ASN 9 HB2 ASN 9 9.633 9.946 -1.586 208 HB3 ASN 9 HB3 ASN 9 9.389 10.925 -3.030 209 HD21 ASN 9 HD21 ASN 9 10.995 10.911 -4.411 210 HD22 ASN 9 HD22 ASN 9 12.658 10.623 -4.043 211 H LEU 10 H LEU 10 8.800 12.808 0.991 212 HA LEU 10 HA LEU 10 6.001 12.332 0.202 213 HB2 LEU 10 HB2 LEU 10 6.328 10.751 1.838 214 HB3 LEU 10 HB3 LEU 10 7.478 11.752 2.723 215 HG LEU 10 HG LEU 10 5.552 13.177 3.448 216 HD11 LEU 10 HD11 LEU 10 3.928 10.935 2.255 217 HD12 LEU 10 HD12 LEU 10 3.991 12.598 1.673 218 HD13 LEU 10 HD13 LEU 10 3.302 12.244 3.258 219 HD21 LEU 10 HD21 LEU 10 6.572 11.001 4.594 220 HD22 LEU 10 HD22 LEU 10 4.920 10.429 4.362 221 HD23 LEU 10 HD23 LEU 10 5.223 11.896 5.295 222 H PHE 11 H PHE 11 8.296 14.471 1.702 223 HA PHE 11 HA PHE 11 6.639 16.277 2.992 224 HB2 PHE 11 HB2 PHE 11 9.342 16.348 1.824 225 HB3 PHE 11 HB3 PHE 11 8.558 17.919 1.952 226 HD1 PHE 11 HD1 PHE 11 7.946 15.159 4.296 227 HD2 PHE 11 HD2 PHE 11 10.028 18.806 3.605 228 HE1 PHE 11 HE1 PHE 11 8.551 15.262 6.679 229 HE2 PHE 11 HE2 PHE 11 10.637 18.914 5.987 230 HZ PHE 11 HZ PHE 11 9.899 17.140 7.527 231 H ARG 12 H ARG 12 7.055 15.709 -0.387 232 HA ARG 12 HA ARG 12 6.116 18.215 -1.339 233 HB2 ARG 12 HB2 ARG 12 6.773 15.589 -2.477 234 HB3 ARG 12 HB3 ARG 12 5.488 16.435 -3.328 235 HG2 ARG 12 HG2 ARG 12 6.929 18.352 -3.663 236 HG3 ARG 12 HG3 ARG 12 8.212 17.570 -2.738 237 HD2 ARG 12 HD2 ARG 12 7.697 15.659 -4.573 238 HD3 ARG 12 HD3 ARG 12 7.309 17.105 -5.504 239 HE ARG 12 HE ARG 12 9.764 17.530 -4.256 240 HH11 ARG 12 HH11 ARG 12 8.377 15.455 -6.684 241 HH12 ARG 12 HH12 ARG 12 9.864 15.261 -7.553 242 HH21 ARG 12 HH21 ARG 12 11.727 17.283 -5.392 243 HH22 ARG 12 HH22 ARG 12 11.767 16.300 -6.817 244 H LYS 13 H LYS 13 4.527 15.053 -0.944 245 HA LYS 13 HA LYS 13 1.942 16.467 -0.906 246 HB2 LYS 13 HB2 LYS 13 2.772 13.978 -2.326 247 HB3 LYS 13 HB3 LYS 13 1.129 14.070 -1.705 248 HG2 LYS 13 HG2 LYS 13 0.642 15.973 -3.043 249 HG3 LYS 13 HG3 LYS 13 2.335 16.157 -3.503 250 HD2 LYS 13 HD2 LYS 13 2.121 13.808 -4.507 251 HD3 LYS 13 HD3 LYS 13 0.378 14.041 -4.349 252 HE2 LYS 13 HE2 LYS 13 1.830 16.269 -5.603 253 HE3 LYS 13 HE3 LYS 13 1.839 14.763 -6.519 254 HZ1 LYS 13 HZ1 LYS 13 -0.423 16.482 -5.793 255 HZ2 LYS 13 HZ2 LYS 13 -0.696 14.823 -5.974 256 HZ3 LYS 13 HZ3 LYS 13 -0.078 15.724 -7.265 257 H LEU 14 H LEU 14 2.842 16.420 1.460 258 HA LEU 14 HA LEU 14 2.944 14.198 3.051 259 HB2 LEU 14 HB2 LEU 14 2.441 15.589 4.902 260 HB3 LEU 14 HB3 LEU 14 3.339 16.564 3.742 261 HG LEU 14 HG LEU 14 0.852 17.228 3.015 262 HD11 LEU 14 HD11 LEU 14 0.674 16.292 5.850 263 HD12 LEU 14 HD12 LEU 14 -0.448 16.032 4.513 264 HD13 LEU 14 HD13 LEU 14 -0.334 17.619 5.274 265 HD21 LEU 14 HD21 LEU 14 1.257 19.276 4.000 266 HD22 LEU 14 HD22 LEU 14 2.879 18.588 3.913 267 HD23 LEU 14 HD23 LEU 14 1.990 18.559 5.436 268 H THR 15 H THR 15 0.175 15.568 1.505 269 HA THR 15 HA THR 15 -2.003 14.899 2.908 270 HB THR 15 HB THR 15 -2.307 15.735 0.698 271 HG1 THR 15 HG1 THR 15 -3.300 13.099 0.451 272 HG21 THR 15 HG21 THR 15 -0.288 14.593 -0.260 273 HG22 THR 15 HG22 THR 15 -1.709 14.567 -1.305 274 HG23 THR 15 HG23 THR 15 -1.257 13.127 -0.394 275 H HIS 16 H HIS 16 -0.052 12.554 1.084 276 HA HIS 16 HA HIS 16 -1.602 10.344 2.167 277 HB2 HIS 16 HB2 HIS 16 0.035 8.969 0.781 278 HB3 HIS 16 HB3 HIS 16 -1.027 10.052 -0.112 279 HD1 HIS 16 HD1 HIS 16 2.536 9.958 1.194 280 HD2 HIS 16 HD2 HIS 16 0.270 11.750 -1.791 281 HE1 HIS 16 HE1 HIS 16 4.182 11.206 -0.241 282 H ARG 17 H ARG 17 -1.074 9.273 3.950 283 HA ARG 17 HA ARG 17 1.472 9.848 5.244 284 HB2 ARG 17 HB2 ARG 17 -1.082 8.539 6.150 285 HB3 ARG 17 HB3 ARG 17 0.389 8.440 7.110 286 HG2 ARG 17 HG2 ARG 17 -0.937 11.004 6.253 287 HG3 ARG 17 HG3 ARG 17 -1.123 10.243 7.834 288 HD2 ARG 17 HD2 ARG 17 1.411 10.367 8.015 289 HD3 ARG 17 HD3 ARG 17 1.352 11.439 6.616 290 HE ARG 17 HE ARG 17 0.630 12.080 9.317 291 HH11 ARG 17 HH11 ARG 17 0.093 12.858 5.966 292 HH12 ARG 17 HH12 ARG 17 -0.414 14.483 6.289 293 HH21 ARG 17 HH21 ARG 17 -0.036 14.216 9.755 294 HH22 ARG 17 HH22 ARG 17 -0.487 15.254 8.445 295 H LEU 18 H LEU 18 1.242 8.099 2.848 296 HA LEU 18 HA LEU 18 1.415 5.409 3.322 297 HB2 LEU 18 HB2 LEU 18 2.875 5.270 1.365 298 HB3 LEU 18 HB3 LEU 18 1.508 6.350 1.097 299 HG LEU 18 HG LEU 18 3.213 8.219 1.731 300 HD11 LEU 18 HD11 LEU 18 4.869 5.886 1.764 301 HD12 LEU 18 HD12 LEU 18 5.287 7.557 2.141 302 HD13 LEU 18 HD13 LEU 18 5.399 6.974 0.481 303 HD21 LEU 18 HD21 LEU 18 3.848 8.423 -0.615 304 HD22 LEU 18 HD22 LEU 18 2.154 7.957 -0.456 305 HD23 LEU 18 HD23 LEU 18 3.362 6.751 -0.900 306 H PHE 19 H PHE 19 3.675 7.879 4.214 307 HA PHE 19 HA PHE 19 6.027 6.455 4.519 308 HB2 PHE 19 HB2 PHE 19 6.116 8.798 4.851 309 HB3 PHE 19 HB3 PHE 19 4.868 8.749 6.091 310 HD1 PHE 19 HD1 PHE 19 7.763 6.471 5.871 311 HD2 PHE 19 HD2 PHE 19 6.026 9.821 7.840 312 HE1 PHE 19 HE1 PHE 19 9.501 6.346 7.608 313 HE2 PHE 19 HE2 PHE 19 7.762 9.701 9.580 314 HZ PHE 19 HZ PHE 19 9.503 7.963 9.465 315 H ARG 20 H ARG 20 3.454 6.926 6.937 316 HA ARG 20 HA ARG 20 4.579 4.676 8.462 317 HB2 ARG 20 HB2 ARG 20 3.115 5.589 10.326 318 HB3 ARG 20 HB3 ARG 20 4.483 6.587 9.853 319 HG2 ARG 20 HG2 ARG 20 3.014 8.018 8.550 320 HG3 ARG 20 HG3 ARG 20 1.636 6.999 8.968 321 HD2 ARG 20 HD2 ARG 20 3.278 8.113 11.180 322 HD3 ARG 20 HD3 ARG 20 2.208 9.211 10.310 323 HE ARG 20 HE ARG 20 0.750 6.928 11.002 324 HH11 ARG 20 HH11 ARG 20 2.312 9.639 12.531 325 HH12 ARG 20 HH12 ARG 20 1.237 9.659 13.890 326 HH21 ARG 20 HH21 ARG 20 -0.672 6.946 12.786 327 HH22 ARG 20 HH22 ARG 20 -0.460 8.126 14.034 328 H ARG 21 H ARG 21 1.584 6.006 7.140 329 HA ARG 21 HA ARG 21 -0.161 4.005 8.050 330 HB2 ARG 21 HB2 ARG 21 -0.259 5.870 5.687 331 HB3 ARG 21 HB3 ARG 21 -1.552 4.727 6.023 332 HG2 ARG 21 HG2 ARG 21 -0.596 6.887 7.892 333 HG3 ARG 21 HG3 ARG 21 -2.049 6.954 6.892 334 HD2 ARG 21 HD2 ARG 21 -2.447 4.613 8.174 335 HD3 ARG 21 HD3 ARG 21 -1.531 5.490 9.398 336 HE ARG 21 HE ARG 21 -4.233 5.942 8.649 337 HH11 ARG 21 HH11 ARG 21 -1.338 7.567 9.697 338 HH12 ARG 21 HH12 ARG 21 -2.188 8.890 10.425 339 HH21 ARG 21 HH21 ARG 21 -5.363 7.679 9.603 340 HH22 ARG 21 HH22 ARG 21 -4.477 8.952 10.372 341 H ASN 22 H ASN 22 2.283 3.921 5.674 342 HA ASN 22 HA ASN 22 1.264 1.334 4.701 343 HB2 ASN 22 HB2 ASN 22 1.450 3.461 3.096 344 HB3 ASN 22 HB3 ASN 22 3.119 2.909 2.985 345 HD21 ASN 22 HD21 ASN 22 2.759 2.463 0.776 346 HD22 ASN 22 HD22 ASN 22 1.916 1.037 0.283 347 H PHE 23 H PHE 23 4.264 3.255 4.898 348 HA PHE 23 HA PHE 23 5.820 0.813 5.174 349 HB2 PHE 23 HB2 PHE 23 6.563 3.718 4.855 350 HB3 PHE 23 HB3 PHE 23 7.760 2.477 5.213 351 HD1 PHE 23 HD1 PHE 23 5.569 3.904 2.692 352 HD2 PHE 23 HD2 PHE 23 8.281 0.742 3.570 353 HE1 PHE 23 HE1 PHE 23 5.750 3.396 0.291 354 HE2 PHE 23 HE2 PHE 23 8.465 0.230 1.171 355 HZ PHE 23 HZ PHE 23 7.200 1.558 -0.473 356 H GLY 24 H GLY 24 3.965 2.129 7.275 357 HA2 GLY 24 HA2 GLY 24 5.954 2.257 9.453 358 HA3 GLY 24 HA3 GLY 24 4.396 3.068 9.486 359 H TYR 25 H TYR 25 3.202 0.560 8.246 360 HA TYR 25 HA TYR 25 2.516 -0.680 10.749 361 HB2 TYR 25 HB2 TYR 25 1.282 -0.392 8.249 362 HB3 TYR 25 HB3 TYR 25 1.570 -2.120 8.424 363 HD1 TYR 25 HD1 TYR 25 0.415 -3.410 10.109 364 HD2 TYR 25 HD2 TYR 25 -0.201 0.788 9.793 365 HE1 TYR 25 HE1 TYR 25 -1.562 -3.597 11.560 366 HE2 TYR 25 HE2 TYR 25 -2.179 0.613 11.246 367 HH TYR 25 HH TYR 25 -3.636 -2.344 12.015 368 H THR 26 H THR 26 4.936 -1.146 8.457 369 HA THR 26 HA THR 26 5.241 -3.992 9.100 370 HB THR 26 HB THR 26 6.146 -2.281 6.849 371 HG1 THR 26 HG1 THR 26 4.556 -3.705 6.347 372 HG21 THR 26 HG21 THR 26 8.290 -2.992 7.708 373 HG22 THR 26 HG22 THR 26 7.914 -3.919 6.255 374 HG23 THR 26 HG23 THR 26 7.721 -4.655 7.846 375 H LEU 27 H LEU 27 7.238 -1.045 8.876 376 HA LEU 27 HA LEU 27 9.419 -2.193 10.309 377 HB2 LEU 27 HB2 LEU 27 8.924 0.153 8.828 378 HB3 LEU 27 HB3 LEU 27 9.427 0.666 10.437 379 HG LEU 27 HG LEU 27 10.985 -1.131 8.579 380 HD11 LEU 27 HD11 LEU 27 12.365 0.670 8.111 381 HD12 LEU 27 HD12 LEU 27 11.807 1.593 9.506 382 HD13 LEU 27 HD13 LEU 27 10.758 1.398 8.101 383 HD21 LEU 27 HD21 LEU 27 11.443 -1.778 10.829 384 HD22 LEU 27 HD22 LEU 27 11.576 -0.098 11.348 385 HD23 LEU 27 HD23 LEU 27 12.794 -0.789 10.273 386 H ARG 28 H ARG 28 6.448 -1.440 11.375 387 HA ARG 28 HA ARG 28 6.699 0.137 13.623 388 HB2 ARG 28 HB2 ARG 28 4.790 -1.197 14.550 389 HB3 ARG 28 HB3 ARG 28 4.532 -0.595 12.918 390 HG2 ARG 28 HG2 ARG 28 4.910 -2.742 11.976 391 HG3 ARG 28 HG3 ARG 28 5.482 -3.382 13.517 392 HD2 ARG 28 HD2 ARG 28 2.990 -2.418 14.145 393 HD3 ARG 28 HD3 ARG 28 2.761 -3.045 12.514 394 HE ARG 28 HE ARG 28 4.107 -5.019 13.853 395 HH11 ARG 28 HH11 ARG 28 1.112 -3.303 14.298 396 HH12 ARG 28 HH12 ARG 28 0.318 -4.627 15.084 397 HH21 ARG 28 HH21 ARG 28 3.074 -6.771 14.885 398 HH22 ARG 28 HH22 ARG 28 1.436 -6.600 15.418 Start of MODEL 4 1 H1 VAL 1 H VAL 1 1.749 -1.203 -0.332 2 HA VAL 1 HA VAL 1 2.517 -2.160 -2.843 3 HB VAL 1 HB VAL 1 0.752 -0.586 -3.644 4 HG11 VAL 1 HG11 VAL 1 1.074 1.787 -3.500 5 HG12 VAL 1 HG12 VAL 1 1.121 1.118 -1.868 6 HG13 VAL 1 HG13 VAL 1 2.620 1.574 -2.679 7 HG21 VAL 1 HG21 VAL 1 3.537 0.219 -4.471 8 HG22 VAL 1 HG22 VAL 1 2.725 -1.250 -5.011 9 HG23 VAL 1 HG23 VAL 1 2.064 0.329 -5.435 10 H ALA 2 H ALA 2 4.635 -1.573 -3.392 11 HA ALA 2 HA ALA 2 6.024 0.033 -1.347 12 HB1 ALA 2 HB1 ALA 2 7.811 -1.419 -1.356 13 HB2 ALA 2 HB2 ALA 2 6.457 -2.526 -1.593 14 HB3 ALA 2 HB3 ALA 2 7.442 -2.032 -2.970 15 H ARG 3 H ARG 3 5.341 1.808 -2.891 16 HA ARG 3 HA ARG 3 7.284 2.045 -5.094 17 HB2 ARG 3 HB2 ARG 3 5.745 3.203 -6.364 18 HB3 ARG 3 HB3 ARG 3 4.696 2.083 -5.505 19 HG2 ARG 3 HG2 ARG 3 4.281 3.895 -3.830 20 HG3 ARG 3 HG3 ARG 3 5.154 4.992 -4.902 21 HD2 ARG 3 HD2 ARG 3 3.318 3.693 -6.544 22 HD3 ARG 3 HD3 ARG 3 2.433 4.035 -5.058 23 HE ARG 3 HE ARG 3 2.532 6.277 -5.543 24 HH11 ARG 3 HH11 ARG 3 4.705 4.533 -7.630 25 HH12 ARG 3 HH12 ARG 3 5.025 5.895 -8.651 26 HH21 ARG 3 HH21 ARG 3 2.946 8.078 -6.881 27 HH22 ARG 3 HH22 ARG 3 4.025 7.912 -8.223 28 H GLY 4 H GLY 4 6.301 3.275 -2.080 29 HA2 GLY 4 HA2 GLY 4 7.396 5.930 -2.485 30 HA3 GLY 4 HA3 GLY 4 6.728 5.292 -0.990 31 H TRP 5 H TRP 5 8.728 2.937 -1.902 32 HA TRP 5 HA TRP 5 11.046 4.142 -0.537 33 HB2 TRP 5 HB2 TRP 5 9.702 1.502 -0.185 34 HB3 TRP 5 HB3 TRP 5 11.449 1.579 0.029 35 HD1 TRP 5 HD1 TRP 5 9.844 4.743 1.127 36 HE1 TRP 5 HE1 TRP 5 9.696 4.822 3.696 37 HE3 TRP 5 HE3 TRP 5 10.985 -0.133 2.157 38 HZ2 TRP 5 HZ2 TRP 5 10.019 3.052 5.870 39 HZ3 TRP 5 HZ3 TRP 5 11.045 -0.858 4.508 40 HH2 TRP 5 HH2 TRP 5 10.573 0.702 6.324 41 H LYS 6 H LYS 6 9.888 2.553 -3.313 42 HA LYS 6 HA LYS 6 12.650 2.107 -4.241 43 HB2 LYS 6 HB2 LYS 6 10.179 0.600 -5.117 44 HB3 LYS 6 HB3 LYS 6 11.827 0.302 -5.654 45 HG2 LYS 6 HG2 LYS 6 12.222 -1.026 -3.924 46 HG3 LYS 6 HG3 LYS 6 11.657 0.196 -2.782 47 HD2 LYS 6 HD2 LYS 6 9.457 -0.578 -2.858 48 HD3 LYS 6 HD3 LYS 6 9.715 -1.442 -4.377 49 HE2 LYS 6 HE2 LYS 6 9.717 -3.185 -2.883 50 HE3 LYS 6 HE3 LYS 6 11.438 -2.806 -2.950 51 HZ1 LYS 6 HZ1 LYS 6 9.708 -2.749 -0.727 52 HZ2 LYS 6 HZ2 LYS 6 10.328 -1.196 -0.980 53 HZ3 LYS 6 HZ3 LYS 6 11.381 -2.504 -0.772 54 H ARG 7 H ARG 7 9.340 2.701 -5.430 55 HA ARG 7 HA ARG 7 10.069 3.625 -7.969 56 HB2 ARG 7 HB2 ARG 7 7.708 3.117 -6.725 57 HB3 ARG 7 HB3 ARG 7 7.688 4.875 -6.751 58 HG2 ARG 7 HG2 ARG 7 7.094 4.879 -8.882 59 HG3 ARG 7 HG3 ARG 7 8.495 3.896 -9.313 60 HD2 ARG 7 HD2 ARG 7 7.145 1.902 -8.481 61 HD3 ARG 7 HD3 ARG 7 5.752 2.983 -8.496 62 HE ARG 7 HE ARG 7 5.668 2.741 -10.759 63 HH11 ARG 7 HH11 ARG 7 8.874 1.921 -9.677 64 HH12 ARG 7 HH12 ARG 7 9.414 1.415 -11.243 65 HH21 ARG 7 HH21 ARG 7 6.368 2.077 -12.826 66 HH22 ARG 7 HH22 ARG 7 7.988 1.505 -13.034 67 H LYS 8 H LYS 8 9.201 5.514 -5.071 68 HA LYS 8 HA LYS 8 9.743 8.038 -6.149 69 HB2 LYS 8 HB2 LYS 8 9.377 6.907 -3.445 70 HB3 LYS 8 HB3 LYS 8 10.281 8.415 -3.515 71 HG2 LYS 8 HG2 LYS 8 7.945 8.870 -3.145 72 HG3 LYS 8 HG3 LYS 8 8.420 9.450 -4.743 73 HD2 LYS 8 HD2 LYS 8 7.566 7.193 -5.606 74 HD3 LYS 8 HD3 LYS 8 6.786 7.032 -4.030 75 HE2 LYS 8 HE2 LYS 8 5.137 7.972 -5.394 76 HE3 LYS 8 HE3 LYS 8 5.790 9.343 -4.497 77 HZ1 LYS 8 HZ1 LYS 8 6.723 8.603 -7.210 78 HZ2 LYS 8 HZ2 LYS 8 7.022 10.039 -6.369 79 HZ3 LYS 8 HZ3 LYS 8 5.465 9.701 -6.939 80 H CYS 9 H CYS 9 11.739 6.659 -3.561 81 HA CYS 9 HA CYS 9 14.124 7.566 -5.036 82 HB2 CYS 9 HB2 CYS 9 13.429 8.860 -2.912 83 HB3 CYS 9 HB3 CYS 9 13.979 7.438 -2.033 84 HG CYS 9 HG CYS 9 16.580 7.651 -3.382 85 HA PRO 10 HA PRO 10 15.163 3.242 -4.797 86 HB2 PRO 10 HB2 PRO 10 17.557 3.464 -6.058 87 HB3 PRO 10 HB3 PRO 10 16.012 3.490 -6.917 88 HG2 PRO 10 HG2 PRO 10 17.759 5.776 -6.092 89 HG3 PRO 10 HG3 PRO 10 16.903 5.518 -7.624 90 HD2 PRO 10 HD2 PRO 10 15.963 7.162 -5.688 91 HD3 PRO 10 HD3 PRO 10 14.891 6.245 -6.766 92 H LEU 11 H LEU 11 15.647 4.979 -2.501 93 HA LEU 11 HA LEU 11 18.382 4.473 -1.692 94 HB2 LEU 11 HB2 LEU 11 16.057 5.948 -0.581 95 HB3 LEU 11 HB3 LEU 11 17.291 5.390 0.546 96 HG LEU 11 HG LEU 11 17.863 7.143 -1.839 97 HD11 LEU 11 HD11 LEU 11 16.340 8.040 0.095 98 HD12 LEU 11 HD12 LEU 11 17.652 9.026 -0.550 99 HD13 LEU 11 HD13 LEU 11 17.870 8.151 0.965 100 HD21 LEU 11 HD21 LEU 11 19.713 7.348 0.326 101 HD22 LEU 11 HD22 LEU 11 20.000 6.829 -1.335 102 HD23 LEU 11 HD23 LEU 11 19.522 5.651 -0.112 103 H PHE 12 H PHE 12 15.148 3.290 -0.933 104 HA PHE 12 HA PHE 12 16.315 1.289 0.870 105 HB2 PHE 12 HB2 PHE 12 14.342 2.792 1.564 106 HB3 PHE 12 HB3 PHE 12 13.370 1.790 0.492 107 HD1 PHE 12 HD1 PHE 12 14.745 2.130 3.751 108 HD2 PHE 12 HD2 PHE 12 13.375 -0.734 0.916 109 HE1 PHE 12 HE1 PHE 12 14.461 0.484 5.557 110 HE2 PHE 12 HE2 PHE 12 13.088 -2.384 2.718 111 HZ PHE 12 HZ PHE 12 13.630 -1.776 5.042 112 H GLY 13 H GLY 13 14.726 1.696 -2.179 113 HA2 GLY 13 HA2 GLY 13 13.872 -1.008 -2.507 114 HA3 GLY 13 HA3 GLY 13 14.016 0.197 -3.778 115 H LYS 14 H LYS 14 15.650 0.036 -5.190 116 HA LYS 14 HA LYS 14 17.185 -2.274 -5.389 117 HB2 LYS 14 HB2 LYS 14 18.330 -1.215 -7.193 118 HB3 LYS 14 HB3 LYS 14 16.670 -0.638 -7.232 119 HG2 LYS 14 HG2 LYS 14 17.506 1.379 -5.928 120 HG3 LYS 14 HG3 LYS 14 19.131 0.826 -6.338 121 HD2 LYS 14 HD2 LYS 14 17.961 0.722 -8.766 122 HD3 LYS 14 HD3 LYS 14 17.053 2.050 -8.039 123 HE2 LYS 14 HE2 LYS 14 18.911 3.027 -9.134 124 HE3 LYS 14 HE3 LYS 14 19.272 3.066 -7.409 125 HZ1 LYS 14 HZ1 LYS 14 20.920 1.539 -7.623 126 HZ2 LYS 14 HZ2 LYS 14 21.013 2.216 -9.171 127 HZ3 LYS 14 HZ3 LYS 14 20.199 0.752 -8.936 128 H GLY 15 H GLY 15 17.748 0.630 -3.589 129 HA2 GLY 15 HA2 GLY 15 20.543 -0.124 -3.098 130 HA3 GLY 15 HA3 GLY 15 19.811 1.423 -2.700 131 H GLY 16 H GLY 16 18.535 -1.792 -1.960 132 HA2 GLY 16 HA2 GLY 16 17.858 -1.169 0.679 133 HA3 GLY 16 HA3 GLY 16 18.038 -2.797 0.041 134 H1 LYS 1 H LYS 1 17.680 3.699 7.450 135 HA LYS 1 HA LYS 1 18.336 6.115 5.900 136 HB2 LYS 1 HB2 LYS 1 18.589 3.201 5.328 137 HB3 LYS 1 HB3 LYS 1 18.232 4.275 3.981 138 HG2 LYS 1 HG2 LYS 1 20.261 5.630 5.034 139 HG3 LYS 1 HG3 LYS 1 20.691 4.017 5.609 140 HD2 LYS 1 HD2 LYS 1 19.895 3.871 2.863 141 HD3 LYS 1 HD3 LYS 1 21.124 5.123 3.052 142 HE2 LYS 1 HE2 LYS 1 22.737 3.638 3.644 143 HE3 LYS 1 HE3 LYS 1 21.600 2.564 4.458 144 HZ1 LYS 1 HZ1 LYS 1 22.096 1.316 2.642 145 HZ2 LYS 1 HZ2 LYS 1 22.385 2.650 1.641 146 HZ3 LYS 1 HZ3 LYS 1 20.796 2.190 2.000 147 H TYR 2 H TYR 2 15.919 3.652 6.506 148 HA TYR 2 HA TYR 2 14.122 4.092 4.466 149 HB2 TYR 2 HB2 TYR 2 12.357 3.525 6.269 150 HB3 TYR 2 HB3 TYR 2 13.594 2.327 5.906 151 HD1 TYR 2 HD1 TYR 2 15.169 1.644 7.558 152 HD2 TYR 2 HD2 TYR 2 12.520 4.878 8.350 153 HE1 TYR 2 HE1 TYR 2 15.804 1.575 9.933 154 HE2 TYR 2 HE2 TYR 2 13.148 4.818 10.727 155 HH TYR 2 HH TYR 2 15.222 2.290 12.017 156 H GLU 3 H GLU 3 14.559 5.945 7.444 157 HA GLU 3 HA GLU 3 12.360 7.600 7.360 158 HB2 GLU 3 HB2 GLU 3 13.837 9.303 8.490 159 HB3 GLU 3 HB3 GLU 3 13.809 7.715 9.243 160 HG2 GLU 3 HG2 GLU 3 15.928 7.187 8.043 161 HG3 GLU 3 HG3 GLU 3 15.973 8.863 7.499 162 H ILE 4 H ILE 4 15.481 8.062 5.727 163 HA ILE 4 HA ILE 4 14.739 10.507 4.479 164 HB ILE 4 HB ILE 4 16.887 8.589 3.579 165 HG12 ILE 4 HG12 ILE 4 18.096 10.642 5.000 166 HG13 ILE 4 HG13 ILE 4 16.676 10.255 5.965 167 HG21 ILE 4 HG21 ILE 4 16.621 10.172 1.894 168 HG22 ILE 4 HG22 ILE 4 16.289 11.473 3.036 169 HG23 ILE 4 HG23 ILE 4 17.926 10.836 2.877 170 HD11 ILE 4 HD11 ILE 4 17.396 7.867 5.911 171 HD12 ILE 4 HD12 ILE 4 18.894 8.403 5.148 172 HD13 ILE 4 HD13 ILE 4 18.486 8.954 6.772 173 H THR 5 H THR 5 13.659 7.424 3.965 174 HA THR 5 HA THR 5 13.246 7.819 1.083 175 HB THR 5 HB THR 5 12.271 5.288 2.118 176 HG1 THR 5 HG1 THR 5 14.858 6.142 2.814 177 HG21 THR 5 HG21 THR 5 13.497 6.356 -0.200 178 HG22 THR 5 HG22 THR 5 12.818 4.743 0.030 179 HG23 THR 5 HG23 THR 5 14.520 5.043 0.379 180 H THR 6 H THR 6 11.661 7.981 4.091 181 HA THR 6 HA THR 6 9.046 8.072 2.732 182 HB THR 6 HB THR 6 8.587 6.306 4.083 183 HG1 THR 6 HG1 THR 6 7.368 8.138 4.914 184 HG21 THR 6 HG21 THR 6 10.628 5.735 5.002 185 HG22 THR 6 HG22 THR 6 9.712 6.172 6.444 186 HG23 THR 6 HG23 THR 6 10.855 7.318 5.745 187 H ILE 7 H ILE 7 11.363 9.883 4.198 188 HA ILE 7 HA ILE 7 9.399 11.855 5.169 189 HB ILE 7 HB ILE 7 12.262 11.561 6.084 190 HG12 ILE 7 HG12 ILE 7 9.721 10.903 7.587 191 HG13 ILE 7 HG13 ILE 7 10.745 9.703 6.806 192 HG21 ILE 7 HG21 ILE 7 10.222 13.617 6.433 193 HG22 ILE 7 HG22 ILE 7 10.916 13.049 7.950 194 HG23 ILE 7 HG23 ILE 7 11.966 13.693 6.688 195 HD11 ILE 7 HD11 ILE 7 12.589 10.879 8.310 196 HD12 ILE 7 HD12 ILE 7 11.171 11.236 9.295 197 HD13 ILE 7 HD13 ILE 7 11.574 9.564 8.903 198 H HIS 8 H HIS 8 11.809 11.172 2.893 199 HA HIS 8 HA HIS 8 11.946 14.016 2.140 200 HB2 HIS 8 HB2 HIS 8 14.092 12.201 2.728 201 HB3 HIS 8 HB3 HIS 8 14.184 12.683 1.036 202 HD1 HIS 8 HD1 HIS 8 13.337 15.606 1.230 203 HD2 HIS 8 HD2 HIS 8 15.960 13.789 3.891 204 HE1 HIS 8 HE1 HIS 8 14.689 17.479 2.225 205 H ASN 9 H ASN 9 10.652 11.156 1.325 206 HA ASN 9 HA ASN 9 11.135 11.326 -1.544 207 HB2 ASN 9 HB2 ASN 9 9.850 9.319 0.269 208 HB3 ASN 9 HB3 ASN 9 9.444 9.312 -1.444 209 HD21 ASN 9 HD21 ASN 9 10.392 7.238 -1.587 210 HD22 ASN 9 HD22 ASN 9 12.107 7.051 -1.669 211 H LEU 10 H LEU 10 8.250 11.107 0.549 212 HA LEU 10 HA LEU 10 6.851 12.845 -1.376 213 HB2 LEU 10 HB2 LEU 10 4.776 11.627 -0.351 214 HB3 LEU 10 HB3 LEU 10 5.698 10.895 -1.663 215 HG LEU 10 HG LEU 10 6.409 10.185 1.141 216 HD11 LEU 10 HD11 LEU 10 3.776 9.899 0.125 217 HD12 LEU 10 HD12 LEU 10 4.445 9.291 1.639 218 HD13 LEU 10 HD13 LEU 10 4.520 8.301 0.182 219 HD21 LEU 10 HD21 LEU 10 7.372 8.362 0.193 220 HD22 LEU 10 HD22 LEU 10 7.443 9.444 -1.198 221 HD23 LEU 10 HD23 LEU 10 6.157 8.241 -1.080 222 H PHE 11 H PHE 11 8.145 12.732 1.627 223 HA PHE 11 HA PHE 11 6.045 14.117 3.055 224 HB2 PHE 11 HB2 PHE 11 8.552 12.811 3.725 225 HB3 PHE 11 HB3 PHE 11 8.400 14.372 4.526 226 HD1 PHE 11 HD1 PHE 11 8.088 13.672 6.746 227 HD2 PHE 11 HD2 PHE 11 5.630 12.085 3.655 228 HE1 PHE 11 HE1 PHE 11 6.620 12.657 8.440 229 HE2 PHE 11 HE2 PHE 11 4.157 11.068 5.344 230 HZ PHE 11 HZ PHE 11 4.651 11.355 7.740 231 H ARG 12 H ARG 12 8.469 14.963 0.883 232 HA ARG 12 HA ARG 12 9.149 17.529 1.955 233 HB2 ARG 12 HB2 ARG 12 10.343 17.887 -0.089 234 HB3 ARG 12 HB3 ARG 12 10.594 16.212 0.387 235 HG2 ARG 12 HG2 ARG 12 8.830 15.540 -1.215 236 HG3 ARG 12 HG3 ARG 12 8.724 17.220 -1.746 237 HD2 ARG 12 HD2 ARG 12 11.037 17.172 -2.461 238 HD3 ARG 12 HD3 ARG 12 11.222 15.532 -1.840 239 HE ARG 12 HE ARG 12 9.143 15.435 -3.650 240 HH11 ARG 12 HH11 ARG 12 12.524 16.264 -3.699 241 HH12 ARG 12 HH12 ARG 12 12.754 15.777 -5.346 242 HH21 ARG 12 HH21 ARG 12 9.432 14.791 -5.820 243 HH22 ARG 12 HH22 ARG 12 10.995 14.940 -6.552 244 H LYS 13 H LYS 13 6.367 16.354 0.583 245 HA LYS 13 HA LYS 13 5.573 19.036 -0.346 246 HB2 LYS 13 HB2 LYS 13 5.215 16.378 -1.553 247 HB3 LYS 13 HB3 LYS 13 3.756 17.359 -1.518 248 HG2 LYS 13 HG2 LYS 13 5.832 19.041 -2.399 249 HG3 LYS 13 HG3 LYS 13 5.997 17.519 -3.279 250 HD2 LYS 13 HD2 LYS 13 4.451 18.402 -4.651 251 HD3 LYS 13 HD3 LYS 13 3.308 17.916 -3.396 252 HE2 LYS 13 HE2 LYS 13 2.892 20.039 -2.789 253 HE3 LYS 13 HE3 LYS 13 4.584 20.514 -2.931 254 HZ1 LYS 13 HZ1 LYS 13 2.448 20.641 -4.904 255 HZ2 LYS 13 HZ2 LYS 13 3.977 20.210 -5.485 256 HZ3 LYS 13 HZ3 LYS 13 3.766 21.675 -4.665 257 H LEU 14 H LEU 14 3.822 16.044 0.465 258 HA LEU 14 HA LEU 14 2.254 17.603 2.412 259 HB2 LEU 14 HB2 LEU 14 1.421 15.631 0.341 260 HB3 LEU 14 HB3 LEU 14 0.500 15.727 1.840 261 HG LEU 14 HG LEU 14 0.122 18.149 1.370 262 HD11 LEU 14 HD11 LEU 14 1.911 18.716 -0.059 263 HD12 LEU 14 HD12 LEU 14 0.453 18.811 -1.047 264 HD13 LEU 14 HD13 LEU 14 1.523 17.417 -1.187 265 HD21 LEU 14 HD21 LEU 14 -1.343 17.590 -0.747 266 HD22 LEU 14 HD22 LEU 14 -1.739 16.930 0.840 267 HD23 LEU 14 HD23 LEU 14 -0.888 15.935 -0.342 268 H THR 15 H THR 15 2.592 16.961 4.423 269 HA THR 15 HA THR 15 3.610 14.267 4.930 270 HB THR 15 HB THR 15 3.765 15.267 7.347 271 HG1 THR 15 HG1 THR 15 3.014 17.251 7.373 272 HG21 THR 15 HG21 THR 15 5.522 15.083 5.183 273 HG22 THR 15 HG22 THR 15 5.947 15.307 6.881 274 HG23 THR 15 HG23 THR 15 5.754 16.708 5.827 275 H HIS 16 H HIS 16 1.939 12.857 4.980 276 HA HIS 16 HA HIS 16 -0.286 13.469 6.813 277 HB2 HIS 16 HB2 HIS 16 -0.297 11.715 4.349 278 HB3 HIS 16 HB3 HIS 16 -1.657 11.917 5.449 279 HD1 HIS 16 HD1 HIS 16 -1.426 15.028 5.764 280 HD2 HIS 16 HD2 HIS 16 -1.381 12.963 2.159 281 HE1 HIS 16 HE1 HIS 16 -2.165 16.691 4.028 282 H ARG 17 H ARG 17 -0.600 10.376 5.752 283 HA ARG 17 HA ARG 17 0.912 9.288 8.037 284 HB2 ARG 17 HB2 ARG 17 -1.583 7.966 7.045 285 HB3 ARG 17 HB3 ARG 17 -0.852 7.911 8.644 286 HG2 ARG 17 HG2 ARG 17 -2.543 9.285 9.174 287 HG3 ARG 17 HG3 ARG 17 -1.481 10.525 8.501 288 HD2 ARG 17 HD2 ARG 17 -2.863 10.913 6.793 289 HD3 ARG 17 HD3 ARG 17 -3.049 9.192 6.456 290 HE ARG 17 HE ARG 17 -4.870 10.861 7.872 291 HH11 ARG 17 HH11 ARG 17 -3.621 7.616 7.693 292 HH12 ARG 17 HH12 ARG 17 -5.044 6.891 8.363 293 HH21 ARG 17 HH21 ARG 17 -6.749 9.919 8.755 294 HH22 ARG 17 HH22 ARG 17 -6.824 8.202 8.967 295 H LEU 18 H LEU 18 2.331 9.339 5.845 296 HA LEU 18 HA LEU 18 2.065 6.666 4.634 297 HB2 LEU 18 HB2 LEU 18 3.553 8.983 3.432 298 HB3 LEU 18 HB3 LEU 18 3.072 7.477 2.654 299 HG LEU 18 HG LEU 18 0.894 9.211 3.666 300 HD11 LEU 18 HD11 LEU 18 1.896 9.940 0.995 301 HD12 LEU 18 HD12 LEU 18 2.849 10.521 2.360 302 HD13 LEU 18 HD13 LEU 18 1.139 10.935 2.239 303 HD21 LEU 18 HD21 LEU 18 -0.274 7.837 2.376 304 HD22 LEU 18 HD22 LEU 18 1.213 6.993 1.943 305 HD23 LEU 18 HD23 LEU 18 0.649 8.346 0.962 306 H PHE 19 H PHE 19 3.472 7.627 7.131 307 HA PHE 19 HA PHE 19 6.195 6.760 6.420 308 HB2 PHE 19 HB2 PHE 19 6.228 8.995 7.328 309 HB3 PHE 19 HB3 PHE 19 5.240 8.501 8.698 310 HD1 PHE 19 HD1 PHE 19 7.999 6.470 7.384 311 HD2 PHE 19 HD2 PHE 19 6.772 9.240 10.374 312 HE1 PHE 19 HE1 PHE 19 10.039 5.979 8.671 313 HE2 PHE 19 HE2 PHE 19 8.809 8.754 11.665 314 HZ PHE 19 HZ PHE 19 10.446 7.123 10.815 315 H ARG 20 H ARG 20 3.716 6.552 8.957 316 HA ARG 20 HA ARG 20 4.895 3.979 9.779 317 HB2 ARG 20 HB2 ARG 20 3.316 5.990 11.390 318 HB3 ARG 20 HB3 ARG 20 3.752 4.388 11.972 319 HG2 ARG 20 HG2 ARG 20 6.044 4.910 12.009 320 HG3 ARG 20 HG3 ARG 20 5.807 6.364 11.039 321 HD2 ARG 20 HD2 ARG 20 5.015 7.582 12.807 322 HD3 ARG 20 HD3 ARG 20 4.388 6.162 13.643 323 HE ARG 20 HE ARG 20 6.962 7.332 13.964 324 HH11 ARG 20 HH11 ARG 20 5.259 4.295 13.987 325 HH12 ARG 20 HH12 ARG 20 6.385 3.524 15.055 326 HH21 ARG 20 HH21 ARG 20 8.451 6.327 15.370 327 HH22 ARG 20 HH22 ARG 20 8.199 4.680 15.842 328 H ARG 21 H ARG 21 1.974 5.687 8.899 329 HA ARG 21 HA ARG 21 0.237 3.453 9.436 330 HB2 ARG 21 HB2 ARG 21 -0.133 6.148 8.160 331 HB3 ARG 21 HB3 ARG 21 -1.398 4.930 8.079 332 HG2 ARG 21 HG2 ARG 21 -0.186 5.922 10.647 333 HG3 ARG 21 HG3 ARG 21 -1.657 6.576 9.926 334 HD2 ARG 21 HD2 ARG 21 -1.953 3.773 9.990 335 HD3 ARG 21 HD3 ARG 21 -1.322 4.254 11.565 336 HE ARG 21 HE ARG 21 -3.937 4.786 10.515 337 HH11 ARG 21 HH11 ARG 21 -1.475 5.893 12.714 338 HH12 ARG 21 HH12 ARG 21 -2.587 6.742 13.737 339 HH21 ARG 21 HH21 ARG 21 -5.411 5.899 11.854 340 HH22 ARG 21 HH22 ARG 21 -4.825 6.742 13.248 341 H ASN 22 H ASN 22 2.402 4.206 6.998 342 HA ASN 22 HA ASN 22 1.002 2.430 5.110 343 HB2 ASN 22 HB2 ASN 22 1.189 4.822 4.351 344 HB3 ASN 22 HB3 ASN 22 2.938 4.625 4.355 345 HD21 ASN 22 HD21 ASN 22 0.187 4.434 2.519 346 HD22 ASN 22 HD22 ASN 22 0.799 3.495 1.204 347 H PHE 23 H PHE 23 4.237 3.646 5.985 348 HA PHE 23 HA PHE 23 5.373 1.080 5.132 349 HB2 PHE 23 HB2 PHE 23 6.587 3.798 5.602 350 HB3 PHE 23 HB3 PHE 23 7.577 2.353 5.428 351 HD1 PHE 23 HD1 PHE 23 7.784 1.232 3.300 352 HD2 PHE 23 HD2 PHE 23 5.367 4.710 3.724 353 HE1 PHE 23 HE1 PHE 23 7.701 1.467 0.853 354 HE2 PHE 23 HE2 PHE 23 5.280 4.950 1.276 355 HZ PHE 23 HZ PHE 23 6.447 3.327 -0.162 356 H GLY 24 H GLY 24 3.961 1.921 7.761 357 HA2 GLY 24 HA2 GLY 24 6.102 1.024 9.586 358 HA3 GLY 24 HA3 GLY 24 4.753 2.038 10.072 359 H TYR 25 H TYR 25 2.862 0.411 8.456 360 HA TYR 25 HA TYR 25 2.220 -1.488 10.507 361 HB2 TYR 25 HB2 TYR 25 0.839 -0.174 8.399 362 HB3 TYR 25 HB3 TYR 25 0.644 -1.907 8.158 363 HD1 TYR 25 HD1 TYR 25 -0.484 -3.278 9.858 364 HD2 TYR 25 HD2 TYR 25 -0.178 0.946 10.269 365 HE1 TYR 25 HE1 TYR 25 -2.238 -3.324 11.581 366 HE2 TYR 25 HE2 TYR 25 -1.931 0.912 11.994 367 HH TYR 25 HH TYR 25 -2.787 -1.017 13.709 368 H THR 26 H THR 26 4.179 -1.573 7.775 369 HA THR 26 HA THR 26 3.858 -4.465 7.408 370 HB THR 26 HB THR 26 4.928 -2.275 5.709 371 HG1 THR 26 HG1 THR 26 2.990 -3.076 5.068 372 HG21 THR 26 HG21 THR 26 6.898 -3.670 5.900 373 HG22 THR 26 HG22 THR 26 6.169 -3.904 4.311 374 HG23 THR 26 HG23 THR 26 5.943 -5.116 5.573 375 H LEU 27 H LEU 27 6.472 -2.070 7.804 376 HA LEU 27 HA LEU 27 8.468 -4.020 8.339 377 HB2 LEU 27 HB2 LEU 27 8.262 -1.090 8.329 378 HB3 LEU 27 HB3 LEU 27 9.454 -1.745 9.450 379 HG LEU 27 HG LEU 27 10.331 -1.084 7.191 380 HD11 LEU 27 HD11 LEU 27 11.320 -3.594 6.933 381 HD12 LEU 27 HD12 LEU 27 10.725 -3.630 8.593 382 HD13 LEU 27 HD13 LEU 27 11.896 -2.406 8.102 383 HD21 LEU 27 HD21 LEU 27 8.889 -3.568 6.275 384 HD22 LEU 27 HD22 LEU 27 9.913 -2.509 5.304 385 HD23 LEU 27 HD23 LEU 27 8.367 -1.922 5.919 386 H ARG 28 H ARG 28 5.864 -3.178 10.135 387 HA ARG 28 HA ARG 28 6.746 -2.744 12.719 388 HB2 ARG 28 HB2 ARG 28 4.620 -3.638 13.466 389 HB3 ARG 28 HB3 ARG 28 4.377 -2.684 12.009 390 HG2 ARG 28 HG2 ARG 28 4.276 -4.732 10.681 391 HG3 ARG 28 HG3 ARG 28 4.519 -5.689 12.144 392 HD2 ARG 28 HD2 ARG 28 2.275 -3.722 12.010 393 HD3 ARG 28 HD3 ARG 28 2.111 -5.288 11.216 394 HE ARG 28 HE ARG 28 3.002 -5.562 13.906 395 HH11 ARG 28 HH11 ARG 28 0.183 -4.975 11.949 396 HH12 ARG 28 HH12 ARG 28 -0.923 -5.615 13.118 397 HH21 ARG 28 HH21 ARG 28 1.555 -6.409 15.454 398 HH22 ARG 28 HH22 ARG 28 -0.141 -6.430 15.111 Start of MODEL 5 1 H1 VAL 1 H VAL 1 1.062 -1.294 -0.523 2 HA VAL 1 HA VAL 1 2.074 -2.186 -2.962 3 HB VAL 1 HB VAL 1 2.080 -0.157 -4.321 4 HG11 VAL 1 HG11 VAL 1 -0.136 -0.299 -5.141 5 HG12 VAL 1 HG12 VAL 1 0.254 -1.893 -4.491 6 HG13 VAL 1 HG13 VAL 1 -0.763 -0.786 -3.567 7 HG21 VAL 1 HG21 VAL 1 1.822 1.765 -3.197 8 HG22 VAL 1 HG22 VAL 1 0.092 1.467 -3.377 9 HG23 VAL 1 HG23 VAL 1 0.920 0.991 -1.894 10 H ALA 2 H ALA 2 4.236 -1.869 -3.032 11 HA ALA 2 HA ALA 2 5.373 0.079 -1.132 12 HB1 ALA 2 HB1 ALA 2 6.665 -2.526 -1.906 13 HB2 ALA 2 HB2 ALA 2 7.127 -1.427 -0.606 14 HB3 ALA 2 HB3 ALA 2 5.625 -2.343 -0.493 15 H ARG 3 H ARG 3 5.238 1.500 -3.077 16 HA ARG 3 HA ARG 3 7.534 1.048 -4.870 17 HB2 ARG 3 HB2 ARG 3 5.481 2.994 -5.709 18 HB3 ARG 3 HB3 ARG 3 6.344 1.788 -6.652 19 HG2 ARG 3 HG2 ARG 3 4.046 1.204 -4.797 20 HG3 ARG 3 HG3 ARG 3 3.923 1.375 -6.548 21 HD2 ARG 3 HD2 ARG 3 5.956 -0.528 -5.585 22 HD3 ARG 3 HD3 ARG 3 4.281 -0.980 -5.275 23 HE ARG 3 HE ARG 3 5.618 -1.037 -7.778 24 HH11 ARG 3 HH11 ARG 3 2.528 -0.397 -6.306 25 HH12 ARG 3 HH12 ARG 3 1.621 -0.813 -7.722 26 HH21 ARG 3 HH21 ARG 3 4.434 -1.587 -9.649 27 HH22 ARG 3 HH22 ARG 3 2.706 -1.490 -9.623 28 H GLY 4 H GLY 4 6.160 3.046 -2.476 29 HA2 GLY 4 HA2 GLY 4 7.467 5.491 -3.219 30 HA3 GLY 4 HA3 GLY 4 6.684 5.151 -1.683 31 H TRP 5 H TRP 5 8.579 2.620 -1.846 32 HA TRP 5 HA TRP 5 10.903 4.017 -0.690 33 HB2 TRP 5 HB2 TRP 5 9.389 1.606 0.217 34 HB3 TRP 5 HB3 TRP 5 11.120 1.677 0.533 35 HD1 TRP 5 HD1 TRP 5 9.615 5.069 0.679 36 HE1 TRP 5 HE1 TRP 5 9.308 5.803 3.126 37 HE3 TRP 5 HE3 TRP 5 10.435 0.579 2.983 38 HZ2 TRP 5 HZ2 TRP 5 9.402 4.636 5.694 39 HZ3 TRP 5 HZ3 TRP 5 10.309 0.474 5.438 40 HH2 TRP 5 HH2 TRP 5 9.804 2.462 6.764 41 H LYS 6 H LYS 6 9.852 2.111 -3.206 42 HA LYS 6 HA LYS 6 12.558 1.027 -3.652 43 HB2 LYS 6 HB2 LYS 6 11.159 -0.850 -3.462 44 HB3 LYS 6 HB3 LYS 6 9.849 -0.075 -4.343 45 HG2 LYS 6 HG2 LYS 6 12.295 -0.372 -5.907 46 HG3 LYS 6 HG3 LYS 6 11.594 -1.902 -5.373 47 HD2 LYS 6 HD2 LYS 6 9.390 -0.518 -6.221 48 HD3 LYS 6 HD3 LYS 6 10.630 0.023 -7.356 49 HE2 LYS 6 HE2 LYS 6 10.033 -2.865 -6.726 50 HE3 LYS 6 HE3 LYS 6 9.369 -1.991 -8.106 51 HZ1 LYS 6 HZ1 LYS 6 12.278 -2.295 -7.613 52 HZ2 LYS 6 HZ2 LYS 6 11.528 -1.715 -9.013 53 HZ3 LYS 6 HZ3 LYS 6 11.384 -3.348 -8.591 54 H ARG 7 H ARG 7 9.685 2.358 -5.259 55 HA ARG 7 HA ARG 7 11.189 2.857 -7.692 56 HB2 ARG 7 HB2 ARG 7 8.891 2.104 -7.910 57 HB3 ARG 7 HB3 ARG 7 8.324 3.458 -6.942 58 HG2 ARG 7 HG2 ARG 7 9.883 4.245 -9.284 59 HG3 ARG 7 HG3 ARG 7 8.390 3.383 -9.662 60 HD2 ARG 7 HD2 ARG 7 7.925 5.315 -7.588 61 HD3 ARG 7 HD3 ARG 7 8.690 6.089 -8.975 62 HE ARG 7 HE ARG 7 6.023 5.052 -8.829 63 HH11 ARG 7 HH11 ARG 7 8.684 5.752 -10.962 64 HH12 ARG 7 HH12 ARG 7 7.683 5.921 -12.367 65 HH21 ARG 7 HH21 ARG 7 4.696 5.272 -10.670 66 HH22 ARG 7 HH22 ARG 7 5.414 5.648 -12.199 67 H LYS 8 H LYS 8 9.328 4.832 -5.377 68 HA LYS 8 HA LYS 8 9.926 7.338 -6.331 69 HB2 LYS 8 HB2 LYS 8 9.320 6.256 -3.620 70 HB3 LYS 8 HB3 LYS 8 9.891 7.916 -3.737 71 HG2 LYS 8 HG2 LYS 8 7.493 6.791 -5.171 72 HG3 LYS 8 HG3 LYS 8 7.448 7.773 -3.705 73 HD2 LYS 8 HD2 LYS 8 8.655 9.564 -4.997 74 HD3 LYS 8 HD3 LYS 8 8.392 8.595 -6.448 75 HE2 LYS 8 HE2 LYS 8 5.947 8.665 -5.960 76 HE3 LYS 8 HE3 LYS 8 6.291 9.784 -4.642 77 HZ1 LYS 8 HZ1 LYS 8 6.442 10.219 -7.536 78 HZ2 LYS 8 HZ2 LYS 8 7.507 11.078 -6.542 79 HZ3 LYS 8 HZ3 LYS 8 5.837 11.233 -6.325 80 H CYS 9 H CYS 9 11.574 6.119 -3.428 81 HA CYS 9 HA CYS 9 14.070 7.294 -4.465 82 HB2 CYS 9 HB2 CYS 9 12.695 7.636 -1.892 83 HB3 CYS 9 HB3 CYS 9 14.409 7.267 -1.743 84 HG CYS 9 HG CYS 9 14.463 9.485 -3.985 85 HA PRO 10 HA PRO 10 15.392 3.038 -4.121 86 HB2 PRO 10 HB2 PRO 10 17.861 3.455 -5.169 87 HB3 PRO 10 HB3 PRO 10 16.403 3.339 -6.161 88 HG2 PRO 10 HG2 PRO 10 17.867 5.776 -5.223 89 HG3 PRO 10 HG3 PRO 10 17.178 5.431 -6.819 90 HD2 PRO 10 HD2 PRO 10 15.930 7.004 -5.002 91 HD3 PRO 10 HD3 PRO 10 15.042 5.988 -6.156 92 H LEU 11 H LEU 11 15.523 4.840 -1.823 93 HA LEU 11 HA LEU 11 18.211 4.456 -0.766 94 HB2 LEU 11 HB2 LEU 11 15.780 5.937 0.165 95 HB3 LEU 11 HB3 LEU 11 17.113 5.608 1.269 96 HG LEU 11 HG LEU 11 17.807 6.907 -1.299 97 HD11 LEU 11 HD11 LEU 11 16.064 8.154 0.781 98 HD12 LEU 11 HD12 LEU 11 15.984 8.282 -0.976 99 HD13 LEU 11 HD13 LEU 11 17.247 9.134 -0.085 100 HD21 LEU 11 HD21 LEU 11 18.941 6.481 1.283 101 HD22 LEU 11 HD22 LEU 11 18.831 8.216 0.985 102 HD23 LEU 11 HD23 LEU 11 19.687 7.176 -0.155 103 H PHE 12 H PHE 12 14.939 3.270 -0.328 104 HA PHE 12 HA PHE 12 15.831 1.518 1.846 105 HB2 PHE 12 HB2 PHE 12 13.779 2.804 2.245 106 HB3 PHE 12 HB3 PHE 12 13.044 2.086 0.815 107 HD1 PHE 12 HD1 PHE 12 13.822 1.666 4.313 108 HD2 PHE 12 HD2 PHE 12 12.511 -0.338 0.795 109 HE1 PHE 12 HE1 PHE 12 12.974 -0.190 5.690 110 HE2 PHE 12 HE2 PHE 12 11.662 -2.196 2.165 111 HZ PHE 12 HZ PHE 12 11.892 -2.124 4.617 112 H GLY 13 H GLY 13 14.625 1.483 -1.441 113 HA2 GLY 13 HA2 GLY 13 14.127 -1.315 -1.589 114 HA3 GLY 13 HA3 GLY 13 14.327 -0.225 -2.953 115 H LYS 14 H LYS 14 16.252 -0.144 -4.018 116 HA LYS 14 HA LYS 14 18.003 -2.345 -3.765 117 HB2 LYS 14 HB2 LYS 14 19.361 -1.201 -5.473 118 HB3 LYS 14 HB3 LYS 14 17.655 -1.234 -5.903 119 HG2 LYS 14 HG2 LYS 14 18.034 0.930 -6.384 120 HG3 LYS 14 HG3 LYS 14 17.753 1.135 -4.653 121 HD2 LYS 14 HD2 LYS 14 19.732 2.322 -5.083 122 HD3 LYS 14 HD3 LYS 14 20.270 0.793 -4.382 123 HE2 LYS 14 HE2 LYS 14 21.679 0.883 -6.167 124 HE3 LYS 14 HE3 LYS 14 20.313 0.075 -6.935 125 HZ1 LYS 14 HZ1 LYS 14 19.705 1.973 -8.056 126 HZ2 LYS 14 HZ2 LYS 14 21.391 2.110 -8.072 127 HZ3 LYS 14 HZ3 LYS 14 20.481 3.013 -6.969 128 H GLY 15 H GLY 15 17.940 0.764 -2.278 129 HA2 GLY 15 HA2 GLY 15 20.644 1.171 -1.705 130 HA3 GLY 15 HA3 GLY 15 19.307 1.750 -0.722 131 H GLY 16 H GLY 16 18.290 -0.930 -0.161 132 HA2 GLY 16 HA2 GLY 16 20.207 -1.594 1.952 133 HA3 GLY 16 HA3 GLY 16 18.519 -2.080 1.895 134 H1 LYS 1 H LYS 1 18.922 2.923 4.825 135 HA LYS 1 HA LYS 1 18.318 5.698 5.556 136 HB2 LYS 1 HB2 LYS 1 18.787 4.575 2.793 137 HB3 LYS 1 HB3 LYS 1 18.764 6.269 3.263 138 HG2 LYS 1 HG2 LYS 1 20.724 5.345 4.870 139 HG3 LYS 1 HG3 LYS 1 20.907 4.271 3.480 140 HD2 LYS 1 HD2 LYS 1 21.232 6.100 2.001 141 HD3 LYS 1 HD3 LYS 1 20.725 7.267 3.226 142 HE2 LYS 1 HE2 LYS 1 22.835 7.481 3.883 143 HE3 LYS 1 HE3 LYS 1 22.873 5.770 4.304 144 HZ1 LYS 1 HZ1 LYS 1 23.142 6.199 1.492 145 HZ2 LYS 1 HZ2 LYS 1 24.129 5.317 2.545 146 HZ3 LYS 1 HZ3 LYS 1 24.359 6.983 2.366 147 H TYR 2 H TYR 2 16.190 5.355 6.293 148 HA TYR 2 HA TYR 2 14.260 4.614 4.193 149 HB2 TYR 2 HB2 TYR 2 12.730 4.353 6.320 150 HB3 TYR 2 HB3 TYR 2 13.834 3.065 5.849 151 HD1 TYR 2 HD1 TYR 2 15.799 2.563 7.173 152 HD2 TYR 2 HD2 TYR 2 13.176 5.721 8.287 153 HE1 TYR 2 HE1 TYR 2 16.852 2.646 9.394 154 HE2 TYR 2 HE2 TYR 2 14.222 5.814 10.511 155 HH TYR 2 HH TYR 2 17.089 4.603 11.246 156 H GLU 3 H GLU 3 14.873 6.835 6.885 157 HA GLU 3 HA GLU 3 12.639 8.433 6.758 158 HB2 GLU 3 HB2 GLU 3 14.185 10.299 7.519 159 HB3 GLU 3 HB3 GLU 3 14.184 8.840 8.499 160 HG2 GLU 3 HG2 GLU 3 16.182 8.344 6.692 161 HG3 GLU 3 HG3 GLU 3 16.336 10.076 6.980 162 H ILE 4 H ILE 4 15.653 8.845 4.909 163 HA ILE 4 HA ILE 4 14.783 11.077 3.425 164 HB ILE 4 HB ILE 4 16.798 9.046 2.477 165 HG12 ILE 4 HG12 ILE 4 17.579 9.531 4.635 166 HG13 ILE 4 HG13 ILE 4 18.438 10.684 3.620 167 HG21 ILE 4 HG21 ILE 4 17.828 11.093 1.463 168 HG22 ILE 4 HG22 ILE 4 16.263 10.638 0.791 169 HG23 ILE 4 HG23 ILE 4 16.377 11.976 1.934 170 HD11 ILE 4 HD11 ILE 4 16.713 12.377 4.218 171 HD12 ILE 4 HD12 ILE 4 16.050 11.212 5.365 172 HD13 ILE 4 HD13 ILE 4 17.694 11.816 5.572 173 H THR 5 H THR 5 13.829 7.851 3.285 174 HA THR 5 HA THR 5 13.119 7.930 0.455 175 HB THR 5 HB THR 5 12.237 5.653 2.137 176 HG1 THR 5 HG1 THR 5 14.898 6.476 1.900 177 HG21 THR 5 HG21 THR 5 13.639 5.870 -0.531 178 HG22 THR 5 HG22 THR 5 11.907 5.652 -0.280 179 HG23 THR 5 HG23 THR 5 13.033 4.380 0.191 180 H THR 6 H THR 6 11.707 8.368 3.575 181 HA THR 6 HA THR 6 8.989 8.183 2.504 182 HB THR 6 HB THR 6 8.300 7.672 4.573 183 HG1 THR 6 HG1 THR 6 10.061 9.477 5.858 184 HG21 THR 6 HG21 THR 6 10.587 6.504 4.322 185 HG22 THR 6 HG22 THR 6 9.849 6.559 5.924 186 HG23 THR 6 HG23 THR 6 11.151 7.676 5.512 187 H ILE 7 H ILE 7 11.243 10.496 3.914 188 HA ILE 7 HA ILE 7 9.403 12.663 4.026 189 HB ILE 7 HB ILE 7 11.285 14.072 4.489 190 HG12 ILE 7 HG12 ILE 7 12.964 11.769 3.476 191 HG13 ILE 7 HG13 ILE 7 12.813 13.367 2.754 192 HG21 ILE 7 HG21 ILE 7 12.427 11.831 5.907 193 HG22 ILE 7 HG22 ILE 7 11.521 13.210 6.525 194 HG23 ILE 7 HG23 ILE 7 10.665 11.784 5.942 195 HD11 ILE 7 HD11 ILE 7 13.704 14.091 5.151 196 HD12 ILE 7 HD12 ILE 7 14.403 12.473 5.074 197 HD13 ILE 7 HD13 ILE 7 14.779 13.657 3.822 198 H HIS 8 H HIS 8 11.711 11.516 1.627 199 HA HIS 8 HA HIS 8 11.396 13.783 -0.100 200 HB2 HIS 8 HB2 HIS 8 12.707 11.091 -0.385 201 HB3 HIS 8 HB3 HIS 8 12.542 12.169 -1.768 202 HD1 HIS 8 HD1 HIS 8 13.048 14.362 0.942 203 HD2 HIS 8 HD2 HIS 8 15.536 11.820 -1.204 204 HE1 HIS 8 HE1 HIS 8 15.382 15.209 1.345 205 H ASN 9 H ASN 9 9.730 10.804 0.399 206 HA ASN 9 HA ASN 9 8.291 11.073 -2.140 207 HB2 ASN 9 HB2 ASN 9 7.993 8.835 -2.106 208 HB3 ASN 9 HB3 ASN 9 9.265 8.842 -0.887 209 HD21 ASN 9 HD21 ASN 9 6.431 7.524 -1.538 210 HD22 ASN 9 HD22 ASN 9 5.777 7.340 0.052 211 H LEU 10 H LEU 10 8.034 12.082 1.002 212 HA LEU 10 HA LEU 10 5.183 11.755 1.312 213 HB2 LEU 10 HB2 LEU 10 6.296 11.723 3.345 214 HB3 LEU 10 HB3 LEU 10 7.360 13.055 2.895 215 HG LEU 10 HG LEU 10 5.445 14.606 3.117 216 HD11 LEU 10 HD11 LEU 10 3.979 12.275 4.333 217 HD12 LEU 10 HD12 LEU 10 3.705 12.856 2.691 218 HD13 LEU 10 HD13 LEU 10 3.378 13.911 4.065 219 HD21 LEU 10 HD21 LEU 10 5.203 13.752 5.749 220 HD22 LEU 10 HD22 LEU 10 6.406 14.871 5.106 221 HD23 LEU 10 HD23 LEU 10 6.777 13.151 5.232 222 H PHE 11 H PHE 11 7.421 14.295 0.363 223 HA PHE 11 HA PHE 11 5.488 16.386 0.324 224 HB2 PHE 11 HB2 PHE 11 8.287 16.147 -0.068 225 HB3 PHE 11 HB3 PHE 11 7.624 16.907 -1.512 226 HD1 PHE 11 HD1 PHE 11 6.540 17.192 2.032 227 HD2 PHE 11 HD2 PHE 11 8.224 19.137 -1.358 228 HE1 PHE 11 HE1 PHE 11 6.435 19.345 3.219 229 HE2 PHE 11 HE2 PHE 11 8.123 21.292 -0.177 230 HZ PHE 11 HZ PHE 11 7.229 21.399 2.115 231 H ARG 12 H ARG 12 5.843 13.704 -1.594 232 HA ARG 12 HA ARG 12 5.210 14.848 -4.143 233 HB2 ARG 12 HB2 ARG 12 5.052 11.995 -3.155 234 HB3 ARG 12 HB3 ARG 12 4.831 12.490 -4.828 235 HG2 ARG 12 HG2 ARG 12 7.344 13.043 -3.277 236 HG3 ARG 12 HG3 ARG 12 7.097 11.582 -4.235 237 HD2 ARG 12 HD2 ARG 12 6.588 13.110 -6.187 238 HD3 ARG 12 HD3 ARG 12 7.187 14.434 -5.188 239 HE ARG 12 HE ARG 12 9.065 12.306 -5.314 240 HH11 ARG 12 HH11 ARG 12 7.788 14.990 -7.126 241 HH12 ARG 12 HH12 ARG 12 9.231 15.216 -8.058 242 HH21 ARG 12 HH21 ARG 12 10.970 12.594 -6.535 243 HH22 ARG 12 HH22 ARG 12 11.040 13.852 -7.723 244 H LYS 13 H LYS 13 3.321 12.416 -2.368 245 HA LYS 13 HA LYS 13 0.892 13.950 -3.028 246 HB2 LYS 13 HB2 LYS 13 1.392 11.651 -4.201 247 HB3 LYS 13 HB3 LYS 13 0.825 10.978 -2.679 248 HG2 LYS 13 HG2 LYS 13 -1.317 11.944 -2.942 249 HG3 LYS 13 HG3 LYS 13 -0.772 12.954 -4.282 250 HD2 LYS 13 HD2 LYS 13 -0.552 9.986 -4.508 251 HD3 LYS 13 HD3 LYS 13 -2.126 10.754 -4.733 252 HE2 LYS 13 HE2 LYS 13 -1.294 12.086 -6.535 253 HE3 LYS 13 HE3 LYS 13 0.364 11.577 -6.217 254 HZ1 LYS 13 HZ1 LYS 13 -1.341 9.343 -6.661 255 HZ2 LYS 13 HZ2 LYS 13 0.083 9.780 -7.463 256 HZ3 LYS 13 HZ3 LYS 13 -1.402 10.415 -7.967 257 H LEU 14 H LEU 14 2.212 14.448 -0.673 258 HA LEU 14 HA LEU 14 1.704 13.005 1.575 259 HB2 LEU 14 HB2 LEU 14 1.177 15.465 2.528 260 HB3 LEU 14 HB3 LEU 14 2.798 14.864 2.189 261 HG LEU 14 HG LEU 14 2.766 16.003 0.023 262 HD11 LEU 14 HD11 LEU 14 0.457 15.964 -0.542 263 HD12 LEU 14 HD12 LEU 14 0.932 17.656 -0.396 264 HD13 LEU 14 HD13 LEU 14 0.024 16.880 0.901 265 HD21 LEU 14 HD21 LEU 14 3.167 17.120 2.459 266 HD22 LEU 14 HD22 LEU 14 1.945 18.203 1.791 267 HD23 LEU 14 HD23 LEU 14 3.461 17.942 0.926 268 H THR 15 H THR 15 -0.146 11.892 1.858 269 HA THR 15 HA THR 15 -2.705 13.292 1.553 270 HB THR 15 HB THR 15 -3.551 10.840 2.035 271 HG1 THR 15 HG1 THR 15 -2.074 9.314 1.811 272 HG21 THR 15 HG21 THR 15 -2.720 10.511 -0.585 273 HG22 THR 15 HG22 THR 15 -2.752 12.261 -0.372 274 HG23 THR 15 HG23 THR 15 -4.201 11.307 -0.054 275 H HIS 16 H HIS 16 -2.265 10.534 3.646 276 HA HIS 16 HA HIS 16 -2.789 12.252 5.981 277 HB2 HIS 16 HB2 HIS 16 -4.239 9.894 4.983 278 HB3 HIS 16 HB3 HIS 16 -3.872 9.849 6.705 279 HD1 HIS 16 HD1 HIS 16 -6.654 10.483 4.932 280 HD2 HIS 16 HD2 HIS 16 -4.497 12.931 7.504 281 HE1 HIS 16 HE1 HIS 16 -8.274 12.248 5.699 282 H ARG 17 H ARG 17 -2.299 8.760 5.833 283 HA ARG 17 HA ARG 17 0.225 9.119 7.313 284 HB2 ARG 17 HB2 ARG 17 -1.820 6.924 7.699 285 HB3 ARG 17 HB3 ARG 17 -0.300 7.083 8.569 286 HG2 ARG 17 HG2 ARG 17 -2.539 9.092 8.658 287 HG3 ARG 17 HG3 ARG 17 -2.261 7.834 9.864 288 HD2 ARG 17 HD2 ARG 17 -0.063 8.778 10.349 289 HD3 ARG 17 HD3 ARG 17 -0.319 10.021 9.126 290 HE ARG 17 HE ARG 17 -2.382 10.013 11.097 291 HH11 ARG 17 HH11 ARG 17 0.875 11.058 10.446 292 HH12 ARG 17 HH12 ARG 17 0.813 12.382 11.561 293 HH21 ARG 17 HH21 ARG 17 -2.476 11.753 12.569 294 HH22 ARG 17 HH22 ARG 17 -1.094 12.776 12.769 295 H LEU 18 H LEU 18 0.973 9.051 4.974 296 HA LEU 18 HA LEU 18 1.061 6.350 3.865 297 HB2 LEU 18 HB2 LEU 18 2.323 7.599 2.000 298 HB3 LEU 18 HB3 LEU 18 0.587 7.849 2.173 299 HG LEU 18 HG LEU 18 1.019 9.983 3.308 300 HD11 LEU 18 HD11 LEU 18 3.540 10.738 2.830 301 HD12 LEU 18 HD12 LEU 18 3.806 9.020 3.126 302 HD13 LEU 18 HD13 LEU 18 3.023 10.015 4.353 303 HD21 LEU 18 HD21 LEU 18 0.620 10.297 1.053 304 HD22 LEU 18 HD22 LEU 18 2.102 9.475 0.567 305 HD23 LEU 18 HD23 LEU 18 2.180 11.092 1.270 306 H PHE 19 H PHE 19 2.562 7.310 6.302 307 HA PHE 19 HA PHE 19 5.258 6.565 5.376 308 HB2 PHE 19 HB2 PHE 19 5.460 8.810 6.080 309 HB3 PHE 19 HB3 PHE 19 4.415 8.555 7.472 310 HD1 PHE 19 HD1 PHE 19 7.283 6.490 6.350 311 HD2 PHE 19 HD2 PHE 19 5.757 9.189 9.266 312 HE1 PHE 19 HE1 PHE 19 9.262 6.085 7.756 313 HE2 PHE 19 HE2 PHE 19 7.733 8.789 10.676 314 HZ PHE 19 HZ PHE 19 9.489 7.236 9.921 315 H ARG 20 H ARG 20 3.129 6.582 8.232 316 HA ARG 20 HA ARG 20 4.532 4.223 9.253 317 HB2 ARG 20 HB2 ARG 20 2.437 5.931 10.608 318 HB3 ARG 20 HB3 ARG 20 3.397 4.663 11.360 319 HG2 ARG 20 HG2 ARG 20 4.544 7.175 10.163 320 HG3 ARG 20 HG3 ARG 20 4.171 6.960 11.874 321 HD2 ARG 20 HD2 ARG 20 5.670 4.738 11.320 322 HD3 ARG 20 HD3 ARG 20 6.419 5.959 10.293 323 HE ARG 20 HE ARG 20 6.111 7.109 12.790 324 HH11 ARG 20 HH11 ARG 20 7.807 4.407 11.397 325 HH12 ARG 20 HH12 ARG 20 9.103 4.460 12.546 326 HH21 ARG 20 HH21 ARG 20 7.811 7.189 14.309 327 HH22 ARG 20 HH22 ARG 20 9.104 6.043 14.202 328 H ARG 21 H ARG 21 1.284 5.356 8.411 329 HA ARG 21 HA ARG 21 0.074 2.799 8.928 330 HB2 ARG 21 HB2 ARG 21 -0.970 5.222 8.961 331 HB3 ARG 21 HB3 ARG 21 -1.252 4.891 7.258 332 HG2 ARG 21 HG2 ARG 21 -3.041 3.688 7.748 333 HG3 ARG 21 HG3 ARG 21 -2.092 2.641 8.806 334 HD2 ARG 21 HD2 ARG 21 -2.336 4.825 10.372 335 HD3 ARG 21 HD3 ARG 21 -3.841 4.924 9.458 336 HE ARG 21 HE ARG 21 -3.192 3.035 11.501 337 HH11 ARG 21 HH11 ARG 21 -5.032 3.506 8.583 338 HH12 ARG 21 HH12 ARG 21 -6.217 2.307 8.982 339 HH21 ARG 21 HH21 ARG 21 -4.746 1.455 12.037 340 HH22 ARG 21 HH22 ARG 21 -6.054 1.142 10.948 341 H ASN 22 H ASN 22 2.079 3.813 6.551 342 HA ASN 22 HA ASN 22 0.866 1.994 4.575 343 HB2 ASN 22 HB2 ASN 22 2.072 4.695 4.244 344 HB3 ASN 22 HB3 ASN 22 2.386 3.511 2.980 345 HD21 ASN 22 HD21 ASN 22 -0.395 4.447 4.980 346 HD22 ASN 22 HD22 ASN 22 -1.507 4.588 3.664 347 H PHE 23 H PHE 23 3.973 3.490 5.486 348 HA PHE 23 HA PHE 23 5.334 1.035 4.627 349 HB2 PHE 23 HB2 PHE 23 6.354 3.835 5.118 350 HB3 PHE 23 HB3 PHE 23 7.414 2.463 4.812 351 HD1 PHE 23 HD1 PHE 23 4.988 4.774 3.365 352 HD2 PHE 23 HD2 PHE 23 7.533 1.445 2.621 353 HE1 PHE 23 HE1 PHE 23 4.734 5.126 0.943 354 HE2 PHE 23 HE2 PHE 23 7.285 1.793 0.198 355 HZ PHE 23 HZ PHE 23 5.885 3.635 -0.645 356 H GLY 24 H GLY 24 3.882 1.787 7.269 357 HA2 GLY 24 HA2 GLY 24 6.116 1.092 9.073 358 HA3 GLY 24 HA3 GLY 24 4.696 2.002 9.567 359 H TYR 25 H TYR 25 3.026 0.111 7.879 360 HA TYR 25 HA TYR 25 2.488 -1.754 10.001 361 HB2 TYR 25 HB2 TYR 25 1.085 -0.705 7.717 362 HB3 TYR 25 HB3 TYR 25 0.982 -2.463 7.724 363 HD1 TYR 25 HD1 TYR 25 1.007 0.021 10.514 364 HD2 TYR 25 HD2 TYR 25 -1.127 -3.045 8.477 365 HE1 TYR 25 HE1 TYR 25 -0.769 0.137 12.212 366 HE2 TYR 25 HE2 TYR 25 -2.909 -2.937 10.168 367 HH TYR 25 HH TYR 25 -3.322 -0.449 12.249 368 H THR 26 H THR 26 4.514 -1.738 7.314 369 HA THR 26 HA THR 26 4.463 -4.648 6.997 370 HB THR 26 HB THR 26 5.455 -2.395 5.338 371 HG1 THR 26 HG1 THR 26 4.599 -3.833 3.712 372 HG21 THR 26 HG21 THR 26 7.525 -3.597 5.662 373 HG22 THR 26 HG22 THR 26 6.913 -3.934 4.042 374 HG23 THR 26 HG23 THR 26 6.727 -5.132 5.322 375 H LEU 27 H LEU 27 6.863 -2.060 7.516 376 HA LEU 27 HA LEU 27 8.940 -3.877 8.232 377 HB2 LEU 27 HB2 LEU 27 8.816 -1.234 7.510 378 HB3 LEU 27 HB3 LEU 27 9.203 -1.142 9.227 379 HG LEU 27 HG LEU 27 10.806 -2.498 7.064 380 HD11 LEU 27 HD11 LEU 27 12.514 -0.835 8.182 381 HD12 LEU 27 HD12 LEU 27 11.040 0.030 8.615 382 HD13 LEU 27 HD13 LEU 27 11.404 -0.298 6.921 383 HD21 LEU 27 HD21 LEU 27 12.432 -2.935 8.920 384 HD22 LEU 27 HD22 LEU 27 10.957 -3.899 8.985 385 HD23 LEU 27 HD23 LEU 27 11.152 -2.511 10.057 386 H ARG 28 H ARG 28 6.198 -3.175 9.824 387 HA ARG 28 HA ARG 28 6.890 -2.528 12.430 388 HB2 ARG 28 HB2 ARG 28 4.571 -2.655 11.611 389 HB3 ARG 28 HB3 ARG 28 4.702 -4.406 11.521 390 HG2 ARG 28 HG2 ARG 28 5.406 -3.955 14.104 391 HG3 ARG 28 HG3 ARG 28 4.234 -2.665 13.826 392 HD2 ARG 28 HD2 ARG 28 2.695 -4.220 14.304 393 HD3 ARG 28 HD3 ARG 28 3.003 -4.811 12.672 394 HE ARG 28 HE ARG 28 4.814 -5.943 14.551 395 HH11 ARG 28 HH11 ARG 28 1.550 -6.148 13.357 396 HH12 ARG 28 HH12 ARG 28 1.364 -7.820 13.774 397 HH21 ARG 28 HH21 ARG 28 4.581 -8.144 15.104 398 HH22 ARG 28 HH22 ARG 28 3.089 -8.954 14.767 Start of MODEL 6 1 H1 VAL 1 H VAL 1 -0.338 1.593 -1.725 2 HA VAL 1 HA VAL 1 1.204 1.250 -3.366 3 HB VAL 1 HB VAL 1 1.890 3.170 -4.727 4 HG11 VAL 1 HG11 VAL 1 -0.149 2.440 -5.470 5 HG12 VAL 1 HG12 VAL 1 -0.957 2.790 -3.940 6 HG13 VAL 1 HG13 VAL 1 -0.551 4.104 -5.045 7 HG21 VAL 1 HG21 VAL 1 0.603 4.787 -2.533 8 HG22 VAL 1 HG22 VAL 1 2.290 4.830 -3.047 9 HG23 VAL 1 HG23 VAL 1 1.026 5.433 -4.118 10 H ALA 2 H ALA 2 3.386 0.940 -3.579 11 HA ALA 2 HA ALA 2 5.099 2.305 -1.604 12 HB1 ALA 2 HB1 ALA 2 5.087 0.171 -0.769 13 HB2 ALA 2 HB2 ALA 2 4.905 -0.570 -2.359 14 HB3 ALA 2 HB3 ALA 2 6.467 0.081 -1.863 15 H ARG 3 H ARG 3 5.365 3.844 -3.442 16 HA ARG 3 HA ARG 3 7.345 2.852 -5.386 17 HB2 ARG 3 HB2 ARG 3 6.633 5.033 -6.624 18 HB3 ARG 3 HB3 ARG 3 5.606 3.609 -6.713 19 HG2 ARG 3 HG2 ARG 3 4.046 4.504 -5.208 20 HG3 ARG 3 HG3 ARG 3 5.162 5.762 -4.674 21 HD2 ARG 3 HD2 ARG 3 3.668 6.875 -6.089 22 HD3 ARG 3 HD3 ARG 3 5.093 6.596 -7.088 23 HE ARG 3 HE ARG 3 3.360 4.447 -7.463 24 HH11 ARG 3 HH11 ARG 3 3.458 7.875 -8.065 25 HH12 ARG 3 HH12 ARG 3 2.430 7.791 -9.457 26 HH21 ARG 3 HH21 ARG 3 2.005 4.324 -9.294 27 HH22 ARG 3 HH22 ARG 3 1.603 5.772 -10.154 28 H GLY 4 H GLY 4 6.760 4.995 -2.781 29 HA2 GLY 4 HA2 GLY 4 8.808 6.903 -3.384 30 HA3 GLY 4 HA3 GLY 4 7.992 6.702 -1.840 31 H TRP 5 H TRP 5 8.917 3.711 -2.304 32 HA TRP 5 HA TRP 5 11.616 4.135 -1.197 33 HB2 TRP 5 HB2 TRP 5 9.373 2.400 -0.297 34 HB3 TRP 5 HB3 TRP 5 11.004 1.749 -0.153 35 HD1 TRP 5 HD1 TRP 5 10.770 5.466 0.350 36 HE1 TRP 5 HE1 TRP 5 11.049 6.019 2.848 37 HE3 TRP 5 HE3 TRP 5 10.435 0.740 2.269 38 HZ2 TRP 5 HZ2 TRP 5 11.118 4.635 5.307 39 HZ3 TRP 5 HZ3 TRP 5 10.618 0.440 4.704 40 HH2 TRP 5 HH2 TRP 5 10.953 2.348 6.190 41 H LYS 6 H LYS 6 9.848 2.860 -3.725 42 HA LYS 6 HA LYS 6 11.982 0.938 -4.387 43 HB2 LYS 6 HB2 LYS 6 9.977 -0.296 -4.219 44 HB3 LYS 6 HB3 LYS 6 9.044 0.947 -5.042 45 HG2 LYS 6 HG2 LYS 6 11.190 -0.104 -6.691 46 HG3 LYS 6 HG3 LYS 6 10.053 -1.350 -6.170 47 HD2 LYS 6 HD2 LYS 6 8.705 1.076 -7.021 48 HD3 LYS 6 HD3 LYS 6 9.726 0.402 -8.294 49 HE2 LYS 6 HE2 LYS 6 8.413 -1.408 -8.560 50 HE3 LYS 6 HE3 LYS 6 8.107 -1.565 -6.830 51 HZ1 LYS 6 HZ1 LYS 6 6.494 0.215 -6.978 52 HZ2 LYS 6 HZ2 LYS 6 6.094 -1.020 -8.063 53 HZ3 LYS 6 HZ3 LYS 6 6.805 0.406 -8.630 54 H ARG 7 H ARG 7 9.737 3.316 -5.774 55 HA ARG 7 HA ARG 7 11.251 3.422 -8.244 56 HB2 ARG 7 HB2 ARG 7 8.869 3.590 -8.455 57 HB3 ARG 7 HB3 ARG 7 8.802 4.896 -7.280 58 HG2 ARG 7 HG2 ARG 7 10.548 5.638 -9.416 59 HG3 ARG 7 HG3 ARG 7 9.006 5.087 -10.074 60 HD2 ARG 7 HD2 ARG 7 7.879 6.851 -9.245 61 HD3 ARG 7 HD3 ARG 7 8.795 6.855 -7.738 62 HE ARG 7 HE ARG 7 10.542 7.759 -9.653 63 HH11 ARG 7 HH11 ARG 7 7.427 8.733 -8.441 64 HH12 ARG 7 HH12 ARG 7 7.682 10.416 -8.764 65 HH21 ARG 7 HH21 ARG 7 10.890 9.972 -10.082 66 HH22 ARG 7 HH22 ARG 7 9.652 11.119 -9.699 67 H LYS 8 H LYS 8 10.345 5.738 -5.689 68 HA LYS 8 HA LYS 8 11.766 7.935 -6.522 69 HB2 LYS 8 HB2 LYS 8 10.942 6.900 -3.852 70 HB3 LYS 8 HB3 LYS 8 12.090 8.232 -3.893 71 HG2 LYS 8 HG2 LYS 8 9.374 8.221 -5.193 72 HG3 LYS 8 HG3 LYS 8 9.791 9.018 -3.674 73 HD2 LYS 8 HD2 LYS 8 11.608 9.774 -5.790 74 HD3 LYS 8 HD3 LYS 8 9.934 10.104 -6.238 75 HE2 LYS 8 HE2 LYS 8 10.451 10.876 -3.506 76 HE3 LYS 8 HE3 LYS 8 11.590 11.651 -4.606 77 HZ1 LYS 8 HZ1 LYS 8 8.727 12.034 -4.334 78 HZ2 LYS 8 HZ2 LYS 8 9.306 12.006 -5.923 79 HZ3 LYS 8 HZ3 LYS 8 9.925 13.126 -4.815 80 H CYS 9 H CYS 9 13.018 5.964 -3.843 81 HA CYS 9 HA CYS 9 15.706 6.243 -5.015 82 HB2 CYS 9 HB2 CYS 9 14.838 7.308 -2.616 83 HB3 CYS 9 HB3 CYS 9 15.638 5.821 -2.122 84 HG CYS 9 HG CYS 9 17.228 7.981 -4.217 85 HA PRO 10 HA PRO 10 15.437 1.787 -5.033 86 HB2 PRO 10 HB2 PRO 10 17.863 1.385 -6.182 87 HB3 PRO 10 HB3 PRO 10 16.438 1.885 -7.099 88 HG2 PRO 10 HG2 PRO 10 18.705 3.545 -6.068 89 HG3 PRO 10 HG3 PRO 10 17.897 3.611 -7.645 90 HD2 PRO 10 HD2 PRO 10 17.347 5.360 -5.652 91 HD3 PRO 10 HD3 PRO 10 16.124 4.835 -6.826 92 H LEU 11 H LEU 11 16.275 3.221 -2.623 93 HA LEU 11 HA LEU 11 18.646 1.762 -1.746 94 HB2 LEU 11 HB2 LEU 11 16.989 3.849 -0.337 95 HB3 LEU 11 HB3 LEU 11 18.481 3.140 0.278 96 HG LEU 11 HG LEU 11 18.197 4.919 -2.142 97 HD11 LEU 11 HD11 LEU 11 18.719 6.634 -0.827 98 HD12 LEU 11 HD12 LEU 11 20.013 5.734 -0.037 99 HD13 LEU 11 HD13 LEU 11 18.354 5.578 0.538 100 HD21 LEU 11 HD21 LEU 11 19.910 3.364 -2.648 101 HD22 LEU 11 HD22 LEU 11 20.564 3.444 -1.013 102 HD23 LEU 11 HD23 LEU 11 20.717 4.830 -2.092 103 H PHE 12 H PHE 12 15.189 1.939 -1.188 104 HA PHE 12 HA PHE 12 15.403 -0.239 0.777 105 HB2 PHE 12 HB2 PHE 12 14.004 2.112 0.954 106 HB3 PHE 12 HB3 PHE 12 12.764 0.995 0.395 107 HD1 PHE 12 HD1 PHE 12 14.474 2.261 3.206 108 HD2 PHE 12 HD2 PHE 12 12.578 -1.242 1.704 109 HE1 PHE 12 HE1 PHE 12 14.194 1.431 5.505 110 HE2 PHE 12 HE2 PHE 12 12.295 -2.078 4.001 111 HZ PHE 12 HZ PHE 12 13.102 -0.741 5.905 112 H GLY 13 H GLY 13 14.449 0.505 -2.414 113 HA2 GLY 13 HA2 GLY 13 12.527 -1.633 -2.681 114 HA3 GLY 13 HA3 GLY 13 13.158 -0.626 -3.975 115 H LYS 14 H LYS 14 14.762 -1.388 -5.249 116 HA LYS 14 HA LYS 14 15.336 -4.172 -5.175 117 HB2 LYS 14 HB2 LYS 14 16.809 -3.694 -7.098 118 HB3 LYS 14 HB3 LYS 14 15.208 -2.990 -7.292 119 HG2 LYS 14 HG2 LYS 14 16.500 -1.244 -7.972 120 HG3 LYS 14 HG3 LYS 14 16.373 -0.875 -6.251 121 HD2 LYS 14 HD2 LYS 14 18.592 -0.904 -6.122 122 HD3 LYS 14 HD3 LYS 14 18.564 -2.620 -6.537 123 HE2 LYS 14 HE2 LYS 14 18.845 -2.171 -8.834 124 HE3 LYS 14 HE3 LYS 14 18.463 -0.463 -8.626 125 HZ1 LYS 14 HZ1 LYS 14 20.967 -1.631 -8.623 126 HZ2 LYS 14 HZ2 LYS 14 20.679 -1.177 -7.020 127 HZ3 LYS 14 HZ3 LYS 14 20.588 -0.024 -8.254 128 H GLY 15 H GLY 15 16.952 -1.326 -3.991 129 HA2 GLY 15 HA2 GLY 15 19.542 -2.461 -3.691 130 HA3 GLY 15 HA3 GLY 15 18.940 -1.026 -2.873 131 H GLY 16 H GLY 16 16.805 -2.094 -1.454 132 HA2 GLY 16 HA2 GLY 16 17.998 -2.987 0.878 133 HA3 GLY 16 HA3 GLY 16 16.301 -3.218 0.485 134 H1 LYS 1 H LYS 1 18.468 4.896 6.015 135 HA LYS 1 HA LYS 1 18.380 7.011 3.976 136 HB2 LYS 1 HB2 LYS 1 19.588 4.390 4.088 137 HB3 LYS 1 HB3 LYS 1 18.501 4.506 2.710 138 HG2 LYS 1 HG2 LYS 1 20.583 5.171 1.891 139 HG3 LYS 1 HG3 LYS 1 19.703 6.679 2.151 140 HD2 LYS 1 HD2 LYS 1 20.867 7.041 4.240 141 HD3 LYS 1 HD3 LYS 1 21.674 5.477 4.095 142 HE2 LYS 1 HE2 LYS 1 21.968 7.719 2.102 143 HE3 LYS 1 HE3 LYS 1 23.076 7.447 3.446 144 HZ1 LYS 1 HZ1 LYS 1 24.086 6.357 1.697 145 HZ2 LYS 1 HZ2 LYS 1 22.630 5.786 1.052 146 HZ3 LYS 1 HZ3 LYS 1 23.259 5.094 2.462 147 H TYR 2 H TYR 2 16.158 6.002 5.764 148 HA TYR 2 HA TYR 2 14.271 5.275 3.619 149 HB2 TYR 2 HB2 TYR 2 13.038 4.522 5.977 150 HB3 TYR 2 HB3 TYR 2 13.850 3.444 4.847 151 HD1 TYR 2 HD1 TYR 2 13.994 5.033 8.111 152 HD2 TYR 2 HD2 TYR 2 16.166 2.702 5.291 153 HE1 TYR 2 HE1 TYR 2 15.597 4.410 9.869 154 HE2 TYR 2 HE2 TYR 2 17.775 2.072 7.043 155 HH TYR 2 HH TYR 2 17.672 3.518 10.237 156 H GLU 3 H GLU 3 14.542 6.891 6.778 157 HA GLU 3 HA GLU 3 12.088 8.155 6.849 158 HB2 GLU 3 HB2 GLU 3 13.232 9.891 8.255 159 HB3 GLU 3 HB3 GLU 3 13.506 8.232 8.770 160 HG2 GLU 3 HG2 GLU 3 15.678 8.305 7.518 161 HG3 GLU 3 HG3 GLU 3 15.406 10.033 7.298 162 H ILE 4 H ILE 4 15.113 9.343 5.411 163 HA ILE 4 HA ILE 4 13.942 11.757 4.435 164 HB ILE 4 HB ILE 4 16.007 12.263 3.494 165 HG12 ILE 4 HG12 ILE 4 16.215 10.330 2.026 166 HG13 ILE 4 HG13 ILE 4 17.714 10.567 2.917 167 HG21 ILE 4 HG21 ILE 4 16.749 10.331 5.683 168 HG22 ILE 4 HG22 ILE 4 17.648 11.755 5.163 169 HG23 ILE 4 HG23 ILE 4 16.087 11.941 5.960 170 HD11 ILE 4 HD11 ILE 4 15.584 8.526 3.501 171 HD12 ILE 4 HD12 ILE 4 17.180 8.227 2.814 172 HD13 ILE 4 HD13 ILE 4 17.028 8.793 4.478 173 H THR 5 H THR 5 13.382 8.680 3.537 174 HA THR 5 HA THR 5 13.127 9.310 0.674 175 HB THR 5 HB THR 5 12.561 6.546 1.425 176 HG1 THR 5 HG1 THR 5 14.915 6.176 1.761 177 HG21 THR 5 HG21 THR 5 13.933 8.079 -0.667 178 HG22 THR 5 HG22 THR 5 12.993 6.591 -0.784 179 HG23 THR 5 HG23 THR 5 14.685 6.529 -0.291 180 H THR 6 H THR 6 11.361 8.754 3.556 181 HA THR 6 HA THR 6 8.856 8.595 2.009 182 HB THR 6 HB THR 6 8.810 6.591 3.154 183 HG1 THR 6 HG1 THR 6 7.751 8.270 5.188 184 HG21 THR 6 HG21 THR 6 10.619 6.378 4.509 185 HG22 THR 6 HG22 THR 6 9.440 6.755 5.765 186 HG23 THR 6 HG23 THR 6 10.484 8.025 5.125 187 H ILE 7 H ILE 7 10.730 10.488 4.040 188 HA ILE 7 HA ILE 7 8.402 11.970 5.054 189 HB ILE 7 HB ILE 7 11.284 12.165 5.934 190 HG12 ILE 7 HG12 ILE 7 8.932 10.921 7.371 191 HG13 ILE 7 HG13 ILE 7 10.152 10.004 6.494 192 HG21 ILE 7 HG21 ILE 7 10.629 14.135 6.751 193 HG22 ILE 7 HG22 ILE 7 8.928 13.792 6.438 194 HG23 ILE 7 HG23 ILE 7 9.687 13.208 7.918 195 HD11 ILE 7 HD11 ILE 7 11.629 11.591 8.199 196 HD12 ILE 7 HD12 ILE 7 10.228 11.119 9.161 197 HD13 ILE 7 HD13 ILE 7 11.243 9.884 8.419 198 H HIS 8 H HIS 8 10.837 12.049 2.710 199 HA HIS 8 HA HIS 8 10.394 14.932 2.289 200 HB2 HIS 8 HB2 HIS 8 12.858 13.488 2.582 201 HB3 HIS 8 HB3 HIS 8 12.771 14.168 0.959 202 HD1 HIS 8 HD1 HIS 8 14.020 16.293 0.942 203 HD2 HIS 8 HD2 HIS 8 11.866 15.806 4.462 204 HE1 HIS 8 HE1 HIS 8 14.408 18.396 2.264 205 H ASN 9 H ASN 9 9.666 11.955 1.157 206 HA ASN 9 HA ASN 9 9.955 12.518 -1.675 207 HB2 ASN 9 HB2 ASN 9 10.280 10.260 -1.348 208 HB3 ASN 9 HB3 ASN 9 9.100 10.169 -0.045 209 HD21 ASN 9 HD21 ASN 9 7.632 8.746 -0.649 210 HD22 ASN 9 HD22 ASN 9 6.816 8.719 -2.172 211 H LEU 10 H LEU 10 7.213 11.686 0.454 212 HA LEU 10 HA LEU 10 5.508 13.373 -1.256 213 HB2 LEU 10 HB2 LEU 10 3.768 11.859 -1.147 214 HB3 LEU 10 HB3 LEU 10 5.181 10.817 -1.303 215 HG LEU 10 HG LEU 10 3.779 11.418 1.299 216 HD11 LEU 10 HD11 LEU 10 3.077 8.984 1.050 217 HD12 LEU 10 HD12 LEU 10 3.489 9.157 -0.655 218 HD13 LEU 10 HD13 LEU 10 2.232 10.170 0.055 219 HD21 LEU 10 HD21 LEU 10 6.202 9.920 0.531 220 HD22 LEU 10 HD22 LEU 10 5.130 9.129 1.687 221 HD23 LEU 10 HD23 LEU 10 5.795 10.724 2.047 222 H PHE 11 H PHE 11 6.854 13.020 1.752 223 HA PHE 11 HA PHE 11 4.650 13.978 3.335 224 HB2 PHE 11 HB2 PHE 11 7.260 12.894 3.825 225 HB3 PHE 11 HB3 PHE 11 7.096 14.415 4.697 226 HD1 PHE 11 HD1 PHE 11 6.996 13.606 6.903 227 HD2 PHE 11 HD2 PHE 11 4.365 12.044 3.945 228 HE1 PHE 11 HE1 PHE 11 5.709 12.459 8.658 229 HE2 PHE 11 HE2 PHE 11 3.072 10.896 5.695 230 HZ PHE 11 HZ PHE 11 3.744 11.104 8.055 231 H ARG 12 H ARG 12 6.591 15.426 1.105 232 HA ARG 12 HA ARG 12 7.154 17.903 2.419 233 HB2 ARG 12 HB2 ARG 12 7.864 18.690 0.254 234 HB3 ARG 12 HB3 ARG 12 8.452 17.050 0.479 235 HG2 ARG 12 HG2 ARG 12 6.426 16.290 -0.837 236 HG3 ARG 12 HG3 ARG 12 6.188 17.989 -1.253 237 HD2 ARG 12 HD2 ARG 12 8.930 17.232 -1.670 238 HD3 ARG 12 HD3 ARG 12 7.855 16.125 -2.525 239 HE ARG 12 HE ARG 12 6.985 18.720 -3.043 240 HH11 ARG 12 HH11 ARG 12 9.758 16.710 -3.667 241 HH12 ARG 12 HH12 ARG 12 10.166 17.507 -5.150 242 HH21 ARG 12 HH21 ARG 12 7.512 19.779 -4.993 243 HH22 ARG 12 HH22 ARG 12 8.888 19.253 -5.903 244 H LYS 13 H LYS 13 4.322 16.541 1.330 245 HA LYS 13 HA LYS 13 3.071 19.188 0.987 246 HB2 LYS 13 HB2 LYS 13 2.699 16.632 -0.487 247 HB3 LYS 13 HB3 LYS 13 1.265 17.609 -0.195 248 HG2 LYS 13 HG2 LYS 13 3.129 19.430 -1.116 249 HG3 LYS 13 HG3 LYS 13 3.417 17.989 -2.093 250 HD2 LYS 13 HD2 LYS 13 0.983 17.914 -2.596 251 HD3 LYS 13 HD3 LYS 13 0.797 19.441 -1.730 252 HE2 LYS 13 HE2 LYS 13 2.457 18.955 -4.201 253 HE3 LYS 13 HE3 LYS 13 0.945 19.857 -4.108 254 HZ1 LYS 13 HZ1 LYS 13 3.618 20.703 -3.492 255 HZ2 LYS 13 HZ2 LYS 13 2.514 21.076 -2.265 256 HZ3 LYS 13 HZ3 LYS 13 2.245 21.629 -3.841 257 H LEU 14 H LEU 14 1.789 15.914 1.515 258 HA LEU 14 HA LEU 14 0.278 16.974 3.806 259 HB2 LEU 14 HB2 LEU 14 -0.262 14.826 1.804 260 HB3 LEU 14 HB3 LEU 14 -1.015 14.738 3.396 261 HG LEU 14 HG LEU 14 -1.359 17.332 2.102 262 HD11 LEU 14 HD11 LEU 14 -2.282 14.826 0.737 263 HD12 LEU 14 HD12 LEU 14 -1.487 16.239 0.043 264 HD13 LEU 14 HD13 LEU 14 -3.164 16.345 0.579 265 HD21 LEU 14 HD21 LEU 14 -3.519 17.163 2.980 266 HD22 LEU 14 HD22 LEU 14 -2.505 16.333 4.160 267 HD23 LEU 14 HD23 LEU 14 -3.467 15.400 3.013 268 H THR 15 H THR 15 1.298 16.563 5.656 269 HA THR 15 HA THR 15 2.760 14.042 5.968 270 HB THR 15 HB THR 15 3.446 15.203 8.200 271 HG1 THR 15 HG1 THR 15 2.148 16.982 8.224 272 HG21 THR 15 HG21 THR 15 4.538 15.132 5.619 273 HG22 THR 15 HG22 THR 15 5.388 15.446 7.132 274 HG23 THR 15 HG23 THR 15 4.752 16.789 6.183 275 H HIS 16 H HIS 16 1.317 12.486 6.509 276 HA HIS 16 HA HIS 16 -0.332 12.974 8.902 277 HB2 HIS 16 HB2 HIS 16 -1.740 12.767 6.904 278 HB3 HIS 16 HB3 HIS 16 -0.997 11.214 6.532 279 HD1 HIS 16 HD1 HIS 16 -3.492 10.282 6.658 280 HD2 HIS 16 HD2 HIS 16 -1.874 11.615 10.245 281 HE1 HIS 16 HE1 HIS 16 -4.967 9.326 8.456 282 H ARG 17 H ARG 17 -0.308 9.866 7.427 283 HA ARG 17 HA ARG 17 1.570 8.877 9.468 284 HB2 ARG 17 HB2 ARG 17 0.174 6.972 9.884 285 HB3 ARG 17 HB3 ARG 17 -0.818 8.415 10.051 286 HG2 ARG 17 HG2 ARG 17 -1.564 8.019 7.668 287 HG3 ARG 17 HG3 ARG 17 -0.786 6.440 7.790 288 HD2 ARG 17 HD2 ARG 17 -2.215 6.280 9.994 289 HD3 ARG 17 HD3 ARG 17 -3.209 7.483 9.174 290 HE ARG 17 HE ARG 17 -3.087 4.707 8.599 291 HH11 ARG 17 HH11 ARG 17 -3.435 7.828 7.094 292 HH12 ARG 17 HH12 ARG 17 -4.326 7.220 5.739 293 HH21 ARG 17 HH21 ARG 17 -4.259 3.895 6.818 294 HH22 ARG 17 HH22 ARG 17 -4.796 4.983 5.583 295 H LEU 18 H LEU 18 2.103 9.530 6.711 296 HA LEU 18 HA LEU 18 2.357 6.940 5.390 297 HB2 LEU 18 HB2 LEU 18 3.352 9.542 4.289 298 HB3 LEU 18 HB3 LEU 18 2.831 8.099 3.422 299 HG LEU 18 HG LEU 18 0.882 9.742 5.003 300 HD11 LEU 18 HD11 LEU 18 0.836 11.396 3.520 301 HD12 LEU 18 HD12 LEU 18 0.855 10.274 2.160 302 HD13 LEU 18 HD13 LEU 18 2.371 10.779 2.907 303 HD21 LEU 18 HD21 LEU 18 0.799 7.438 3.248 304 HD22 LEU 18 HD22 LEU 18 -0.277 8.723 2.701 305 HD23 LEU 18 HD23 LEU 18 -0.436 8.076 4.334 306 H PHE 19 H PHE 19 3.913 7.698 7.805 307 HA PHE 19 HA PHE 19 6.627 7.547 6.673 308 HB2 PHE 19 HB2 PHE 19 6.369 9.518 8.045 309 HB3 PHE 19 HB3 PHE 19 5.691 8.565 9.360 310 HD1 PHE 19 HD1 PHE 19 8.568 7.472 7.358 311 HD2 PHE 19 HD2 PHE 19 7.279 9.249 11.004 312 HE1 PHE 19 HE1 PHE 19 10.823 7.175 8.297 313 HE2 PHE 19 HE2 PHE 19 9.531 8.955 11.949 314 HZ PHE 19 HZ PHE 19 11.308 7.917 10.595 315 H ARG 20 H ARG 20 4.630 6.372 9.373 316 HA ARG 20 HA ARG 20 6.305 3.948 9.438 317 HB2 ARG 20 HB2 ARG 20 5.379 3.736 11.819 318 HB3 ARG 20 HB3 ARG 20 6.594 4.973 11.528 319 HG2 ARG 20 HG2 ARG 20 5.209 6.609 12.123 320 HG3 ARG 20 HG3 ARG 20 3.896 5.964 11.137 321 HD2 ARG 20 HD2 ARG 20 3.112 4.602 12.852 322 HD3 ARG 20 HD3 ARG 20 4.645 4.655 13.723 323 HE ARG 20 HE ARG 20 3.509 7.239 13.586 324 HH11 ARG 20 HH11 ARG 20 3.117 4.164 15.170 325 HH12 ARG 20 HH12 ARG 20 2.383 4.840 16.587 326 HH21 ARG 20 HH21 ARG 20 2.544 8.141 15.445 327 HH22 ARG 20 HH22 ARG 20 2.057 7.102 16.741 328 H ARG 21 H ARG 21 3.030 5.230 9.556 329 HA ARG 21 HA ARG 21 1.761 2.680 9.794 330 HB2 ARG 21 HB2 ARG 21 0.906 5.180 10.242 331 HB3 ARG 21 HB3 ARG 21 0.290 4.973 8.608 332 HG2 ARG 21 HG2 ARG 21 -1.443 3.852 9.398 333 HG3 ARG 21 HG3 ARG 21 -0.358 2.642 10.085 334 HD2 ARG 21 HD2 ARG 21 -0.118 4.000 12.103 335 HD3 ARG 21 HD3 ARG 21 -1.189 5.219 11.413 336 HE ARG 21 HE ARG 21 -2.497 2.728 11.440 337 HH11 ARG 21 HH11 ARG 21 -1.397 5.224 13.603 338 HH12 ARG 21 HH12 ARG 21 -2.612 4.904 14.797 339 HH21 ARG 21 HH21 ARG 21 -4.100 2.298 13.005 340 HH22 ARG 21 HH22 ARG 21 -4.148 3.239 14.456 341 H ASN 22 H ASN 22 3.385 4.140 7.282 342 HA ASN 22 HA ASN 22 1.924 2.529 5.296 343 HB2 ASN 22 HB2 ASN 22 1.655 5.011 4.994 344 HB3 ASN 22 HB3 ASN 22 3.393 5.108 4.721 345 HD21 ASN 22 HD21 ASN 22 0.359 3.909 3.483 346 HD22 ASN 22 HD22 ASN 22 0.897 3.661 1.860 347 H PHE 23 H PHE 23 5.063 4.153 5.793 348 HA PHE 23 HA PHE 23 6.370 1.952 4.369 349 HB2 PHE 23 HB2 PHE 23 7.257 4.736 5.108 350 HB3 PHE 23 HB3 PHE 23 8.393 3.519 4.532 351 HD1 PHE 23 HD1 PHE 23 5.843 5.895 3.622 352 HD2 PHE 23 HD2 PHE 23 8.119 2.572 2.246 353 HE1 PHE 23 HE1 PHE 23 5.277 6.474 1.299 354 HE2 PHE 23 HE2 PHE 23 7.558 3.147 -0.080 355 HZ PHE 23 HZ PHE 23 6.135 5.100 -0.556 356 H GLY 24 H GLY 24 5.364 2.147 7.297 357 HA2 GLY 24 HA2 GLY 24 7.910 1.452 8.611 358 HA3 GLY 24 HA3 GLY 24 6.462 1.994 9.446 359 H TYR 25 H TYR 25 5.013 0.109 7.428 360 HA TYR 25 HA TYR 25 4.890 -2.110 9.248 361 HB2 TYR 25 HB2 TYR 25 3.283 -1.050 7.096 362 HB3 TYR 25 HB3 TYR 25 3.496 -2.786 6.904 363 HD1 TYR 25 HD1 TYR 25 2.202 -0.147 9.129 364 HD2 TYR 25 HD2 TYR 25 2.452 -4.332 8.403 365 HE1 TYR 25 HE1 TYR 25 0.456 -0.538 10.817 366 HE2 TYR 25 HE2 TYR 25 0.706 -4.735 10.088 367 HH TYR 25 HH TYR 25 -1.057 -3.612 11.216 368 H THR 26 H THR 26 6.755 -1.333 6.527 369 HA THR 26 HA THR 26 7.186 -4.030 5.606 370 HB THR 26 HB THR 26 8.151 -1.340 4.824 371 HG1 THR 26 HG1 THR 26 6.917 -1.966 3.232 372 HG21 THR 26 HG21 THR 26 10.285 -2.410 5.168 373 HG22 THR 26 HG22 THR 26 9.963 -2.330 3.437 374 HG23 THR 26 HG23 THR 26 9.745 -3.849 4.305 375 H LEU 27 H LEU 27 9.209 -1.591 7.241 376 HA LEU 27 HA LEU 27 11.348 -3.408 7.728 377 HB2 LEU 27 HB2 LEU 27 11.035 -0.689 7.823 378 HB3 LEU 27 HB3 LEU 27 11.150 -1.113 9.529 379 HG LEU 27 HG LEU 27 13.201 -1.950 7.489 380 HD11 LEU 27 HD11 LEU 27 14.486 -0.068 7.955 381 HD12 LEU 27 HD12 LEU 27 13.535 0.349 9.380 382 HD13 LEU 27 HD13 LEU 27 12.856 0.581 7.770 383 HD21 LEU 27 HD21 LEU 27 13.314 -3.297 9.431 384 HD22 LEU 27 HD22 LEU 27 13.098 -1.908 10.496 385 HD23 LEU 27 HD23 LEU 27 14.596 -2.096 9.585 386 H ARG 28 H ARG 28 8.340 -3.387 8.980 387 HA ARG 28 HA ARG 28 8.639 -3.593 11.742 388 HB2 ARG 28 HB2 ARG 28 6.497 -3.561 10.280 389 HB3 ARG 28 HB3 ARG 28 6.698 -5.308 10.222 390 HG2 ARG 28 HG2 ARG 28 6.790 -4.034 12.891 391 HG3 ARG 28 HG3 ARG 28 5.229 -4.080 12.068 392 HD2 ARG 28 HD2 ARG 28 4.978 -6.212 12.632 393 HD3 ARG 28 HD3 ARG 28 6.466 -6.623 11.782 394 HE ARG 28 HE ARG 28 7.174 -5.559 14.256 395 HH11 ARG 28 HH11 ARG 28 5.513 -8.339 12.978 396 HH12 ARG 28 HH12 ARG 28 5.945 -9.369 14.302 397 HH21 ARG 28 HH21 ARG 28 7.750 -6.906 16.006 398 HH22 ARG 28 HH22 ARG 28 7.216 -8.553 16.024 Start of MODEL 7 1 H1 VAL 1 H VAL 1 1.843 1.484 -0.262 2 HA VAL 1 HA VAL 1 2.153 -0.469 -2.057 3 HB VAL 1 HB VAL 1 2.633 1.998 -3.697 4 HG11 VAL 1 HG11 VAL 1 2.274 -0.931 -4.294 5 HG12 VAL 1 HG12 VAL 1 2.298 0.317 -5.543 6 HG13 VAL 1 HG13 VAL 1 3.717 0.056 -4.527 7 HG21 VAL 1 HG21 VAL 1 0.430 1.447 -4.820 8 HG22 VAL 1 HG22 VAL 1 0.057 0.474 -3.397 9 HG23 VAL 1 HG23 VAL 1 0.325 2.208 -3.232 10 H ALA 2 H ALA 2 4.364 -0.765 -2.878 11 HA ALA 2 HA ALA 2 6.279 0.664 -1.177 12 HB1 ALA 2 HB1 ALA 2 6.089 -1.854 -1.102 13 HB2 ALA 2 HB2 ALA 2 6.793 -1.867 -2.719 14 HB3 ALA 2 HB3 ALA 2 7.710 -1.208 -1.364 15 H ARG 3 H ARG 3 5.873 2.436 -2.895 16 HA ARG 3 HA ARG 3 7.842 2.088 -5.060 17 HB2 ARG 3 HB2 ARG 3 5.957 4.240 -5.528 18 HB3 ARG 3 HB3 ARG 3 6.390 2.888 -6.564 19 HG2 ARG 3 HG2 ARG 3 4.790 1.467 -5.424 20 HG3 ARG 3 HG3 ARG 3 4.387 2.782 -4.318 21 HD2 ARG 3 HD2 ARG 3 4.096 3.858 -6.878 22 HD3 ARG 3 HD3 ARG 3 3.399 2.241 -6.975 23 HE ARG 3 HE ARG 3 1.675 2.942 -5.642 24 HH11 ARG 3 HH11 ARG 3 4.282 5.242 -5.444 25 HH12 ARG 3 HH12 ARG 3 3.364 6.401 -4.538 26 HH21 ARG 3 HH21 ARG 3 0.457 4.459 -4.451 27 HH22 ARG 3 HH22 ARG 3 1.189 5.953 -3.973 28 H GLY 4 H GLY 4 7.273 3.573 -2.175 29 HA2 GLY 4 HA2 GLY 4 8.738 6.021 -2.909 30 HA3 GLY 4 HA3 GLY 4 7.774 5.814 -1.455 31 H TRP 5 H TRP 5 9.453 3.013 -1.875 32 HA TRP 5 HA TRP 5 11.692 3.970 -0.214 33 HB2 TRP 5 HB2 TRP 5 9.853 1.659 0.118 34 HB3 TRP 5 HB3 TRP 5 11.545 1.397 0.533 35 HD1 TRP 5 HD1 TRP 5 10.253 4.869 1.218 36 HE1 TRP 5 HE1 TRP 5 9.970 5.195 3.755 37 HE3 TRP 5 HE3 TRP 5 10.908 0.031 2.733 38 HZ2 TRP 5 HZ2 TRP 5 10.019 3.609 6.090 39 HZ3 TRP 5 HZ3 TRP 5 10.775 -0.480 5.136 40 HH2 TRP 5 HH2 TRP 5 10.341 1.274 6.779 41 H LYS 6 H LYS 6 10.677 2.135 -2.945 42 HA LYS 6 HA LYS 6 13.472 1.343 -3.442 43 HB2 LYS 6 HB2 LYS 6 12.301 -0.682 -3.145 44 HB3 LYS 6 HB3 LYS 6 10.903 -0.103 -4.042 45 HG2 LYS 6 HG2 LYS 6 13.323 -0.127 -5.648 46 HG3 LYS 6 HG3 LYS 6 12.908 -1.719 -5.010 47 HD2 LYS 6 HD2 LYS 6 10.605 -0.258 -6.048 48 HD3 LYS 6 HD3 LYS 6 11.845 -0.559 -7.268 49 HE2 LYS 6 HE2 LYS 6 11.747 -2.901 -6.915 50 HE3 LYS 6 HE3 LYS 6 10.786 -2.710 -5.449 51 HZ1 LYS 6 HZ1 LYS 6 9.503 -1.509 -7.682 52 HZ2 LYS 6 HZ2 LYS 6 8.928 -2.706 -6.635 53 HZ3 LYS 6 HZ3 LYS 6 9.840 -3.136 -7.994 54 H ARG 7 H ARG 7 10.404 1.900 -5.180 55 HA ARG 7 HA ARG 7 11.555 2.443 -7.671 56 HB2 ARG 7 HB2 ARG 7 8.928 3.275 -6.448 57 HB3 ARG 7 HB3 ARG 7 9.364 3.667 -8.106 58 HG2 ARG 7 HG2 ARG 7 9.727 1.166 -8.427 59 HG3 ARG 7 HG3 ARG 7 8.881 0.970 -6.891 60 HD2 ARG 7 HD2 ARG 7 6.961 1.059 -8.005 61 HD3 ARG 7 HD3 ARG 7 7.321 2.740 -8.395 62 HE ARG 7 HE ARG 7 8.625 0.978 -10.196 63 HH11 ARG 7 HH11 ARG 7 5.515 2.343 -9.432 64 HH12 ARG 7 HH12 ARG 7 4.917 2.219 -11.053 65 HH21 ARG 7 HH21 ARG 7 7.848 0.808 -12.334 66 HH22 ARG 7 HH22 ARG 7 6.245 1.344 -12.703 67 H LYS 8 H LYS 8 10.278 4.769 -5.283 68 HA LYS 8 HA LYS 8 11.087 7.097 -6.559 69 HB2 LYS 8 HB2 LYS 8 10.508 6.370 -3.722 70 HB3 LYS 8 HB3 LYS 8 11.244 7.932 -4.051 71 HG2 LYS 8 HG2 LYS 8 8.656 6.933 -5.223 72 HG3 LYS 8 HG3 LYS 8 8.814 8.084 -3.894 73 HD2 LYS 8 HD2 LYS 8 10.390 8.915 -6.161 74 HD3 LYS 8 HD3 LYS 8 8.709 8.654 -6.630 75 HE2 LYS 8 HE2 LYS 8 8.000 10.451 -5.498 76 HE3 LYS 8 HE3 LYS 8 9.004 10.075 -4.098 77 HZ1 LYS 8 HZ1 LYS 8 9.431 12.013 -6.082 78 HZ2 LYS 8 HZ2 LYS 8 10.692 10.889 -6.164 79 HZ3 LYS 8 HZ3 LYS 8 10.366 11.689 -4.709 80 H CYS 9 H CYS 9 12.710 5.972 -3.605 81 HA CYS 9 HA CYS 9 15.280 6.693 -4.853 82 HB2 CYS 9 HB2 CYS 9 14.083 7.804 -2.565 83 HB3 CYS 9 HB3 CYS 9 15.376 6.769 -1.969 84 HG CYS 9 HG CYS 9 17.023 8.155 -4.150 85 HA PRO 10 HA PRO 10 16.189 2.400 -4.126 86 HB2 PRO 10 HB2 PRO 10 18.744 2.493 -5.039 87 HB3 PRO 10 HB3 PRO 10 17.341 2.471 -6.113 88 HG2 PRO 10 HG2 PRO 10 19.004 4.793 -5.216 89 HG3 PRO 10 HG3 PRO 10 18.372 4.427 -6.832 90 HD2 PRO 10 HD2 PRO 10 17.203 6.228 -5.184 91 HD3 PRO 10 HD3 PRO 10 16.276 5.244 -6.334 92 H LEU 11 H LEU 11 16.374 4.296 -1.918 93 HA LEU 11 HA LEU 11 18.951 3.787 -0.683 94 HB2 LEU 11 HB2 LEU 11 16.513 5.339 0.126 95 HB3 LEU 11 HB3 LEU 11 17.828 5.027 1.258 96 HG LEU 11 HG LEU 11 18.216 6.443 -1.373 97 HD11 LEU 11 HD11 LEU 11 17.136 7.415 1.176 98 HD12 LEU 11 HD12 LEU 11 17.011 8.094 -0.446 99 HD13 LEU 11 HD13 LEU 11 18.463 8.370 0.516 100 HD21 LEU 11 HD21 LEU 11 20.234 5.485 -0.460 101 HD22 LEU 11 HD22 LEU 11 19.900 6.199 1.118 102 HD23 LEU 11 HD23 LEU 11 20.274 7.237 -0.259 103 H PHE 12 H PHE 12 15.611 2.741 -0.396 104 HA PHE 12 HA PHE 12 16.422 0.849 1.710 105 HB2 PHE 12 HB2 PHE 12 14.548 2.559 2.147 106 HB3 PHE 12 HB3 PHE 12 13.574 1.578 1.058 107 HD1 PHE 12 HD1 PHE 12 14.771 1.989 4.392 108 HD2 PHE 12 HD2 PHE 12 13.260 -0.880 1.633 109 HE1 PHE 12 HE1 PHE 12 14.197 0.497 6.262 110 HE2 PHE 12 HE2 PHE 12 12.683 -2.375 3.499 111 HZ PHE 12 HZ PHE 12 13.150 -1.688 5.817 112 H GLY 13 H GLY 13 15.157 1.183 -1.489 113 HA2 GLY 13 HA2 GLY 13 14.045 -1.430 -1.738 114 HA3 GLY 13 HA3 GLY 13 14.462 -0.351 -3.059 115 H LYS 14 H LYS 14 16.126 -0.895 -4.311 116 HA LYS 14 HA LYS 14 17.450 -3.344 -4.045 117 HB2 LYS 14 HB2 LYS 14 18.929 -2.518 -5.856 118 HB3 LYS 14 HB3 LYS 14 17.222 -2.275 -6.204 119 HG2 LYS 14 HG2 LYS 14 17.772 0.087 -5.075 120 HG3 LYS 14 HG3 LYS 14 19.365 -0.302 -5.730 121 HD2 LYS 14 HD2 LYS 14 18.213 0.929 -7.405 122 HD3 LYS 14 HD3 LYS 14 18.231 -0.756 -7.931 123 HE2 LYS 14 HE2 LYS 14 15.984 -1.014 -7.633 124 HE3 LYS 14 HE3 LYS 14 15.914 0.156 -6.316 125 HZ1 LYS 14 HZ1 LYS 14 16.168 1.934 -7.944 126 HZ2 LYS 14 HZ2 LYS 14 14.799 0.997 -8.274 127 HZ3 LYS 14 HZ3 LYS 14 16.200 0.802 -9.202 128 H GLY 15 H GLY 15 18.123 -0.255 -2.671 129 HA2 GLY 15 HA2 GLY 15 20.883 -0.973 -2.030 130 HA3 GLY 15 HA3 GLY 15 20.115 0.576 -1.722 131 H GLY 16 H GLY 16 18.440 -2.317 -0.829 132 HA2 GLY 16 HA2 GLY 16 18.057 -1.571 1.823 133 HA3 GLY 16 HA3 GLY 16 17.890 -3.211 1.212 134 H1 LYS 1 H LYS 1 17.134 5.811 6.778 135 HA LYS 1 HA LYS 1 17.989 6.027 3.966 136 HB2 LYS 1 HB2 LYS 1 17.961 3.634 5.804 137 HB3 LYS 1 HB3 LYS 1 18.129 3.494 4.059 138 HG2 LYS 1 HG2 LYS 1 19.989 5.341 5.421 139 HG3 LYS 1 HG3 LYS 1 20.210 3.616 5.722 140 HD2 LYS 1 HD2 LYS 1 20.649 3.155 3.484 141 HD3 LYS 1 HD3 LYS 1 19.887 4.646 2.928 142 HE2 LYS 1 HE2 LYS 1 22.300 4.796 4.677 143 HE3 LYS 1 HE3 LYS 1 22.497 4.410 2.968 144 HZ1 LYS 1 HZ1 LYS 1 22.121 6.511 2.400 145 HZ2 LYS 1 HZ2 LYS 1 22.292 6.909 4.035 146 HZ3 LYS 1 HZ3 LYS 1 20.753 6.637 3.388 147 H TYR 2 H TYR 2 15.385 5.699 6.072 148 HA TYR 2 HA TYR 2 13.668 4.720 3.887 149 HB2 TYR 2 HB2 TYR 2 12.185 4.269 6.138 150 HB3 TYR 2 HB3 TYR 2 13.172 3.058 5.329 151 HD1 TYR 2 HD1 TYR 2 13.019 5.398 8.171 152 HD2 TYR 2 HD2 TYR 2 15.186 2.232 6.329 153 HE1 TYR 2 HE1 TYR 2 14.349 5.122 10.221 154 HE2 TYR 2 HE2 TYR 2 16.521 1.947 8.376 155 HH TYR 2 HH TYR 2 16.733 2.526 10.530 156 H GLU 3 H GLU 3 13.740 6.758 6.800 157 HA GLU 3 HA GLU 3 11.315 8.060 6.467 158 HB2 GLU 3 HB2 GLU 3 12.358 9.921 7.778 159 HB3 GLU 3 HB3 GLU 3 12.536 8.332 8.507 160 HG2 GLU 3 HG2 GLU 3 14.813 8.467 7.067 161 HG3 GLU 3 HG3 GLU 3 14.569 10.169 7.452 162 H ILE 4 H ILE 4 14.513 8.970 5.219 163 HA ILE 4 HA ILE 4 13.614 11.310 3.887 164 HB ILE 4 HB ILE 4 15.758 11.497 2.975 165 HG12 ILE 4 HG12 ILE 4 15.846 9.345 1.825 166 HG13 ILE 4 HG13 ILE 4 17.324 9.601 2.746 167 HG21 ILE 4 HG21 ILE 4 16.836 9.930 5.165 168 HG22 ILE 4 HG22 ILE 4 16.855 11.674 4.905 169 HG23 ILE 4 HG23 ILE 4 15.456 10.909 5.658 170 HD11 ILE 4 HD11 ILE 4 15.064 7.724 3.302 171 HD12 ILE 4 HD12 ILE 4 16.787 7.382 3.146 172 HD13 ILE 4 HD13 ILE 4 16.179 8.217 4.575 173 H THR 5 H THR 5 13.007 8.112 3.252 174 HA THR 5 HA THR 5 12.863 8.484 0.346 175 HB THR 5 HB THR 5 12.021 5.867 1.234 176 HG1 THR 5 HG1 THR 5 14.725 6.378 1.850 177 HG21 THR 5 HG21 THR 5 13.270 6.978 -0.935 178 HG22 THR 5 HG22 THR 5 13.139 5.248 -0.615 179 HG23 THR 5 HG23 THR 5 14.593 6.126 -0.141 180 H THR 6 H THR 6 10.896 7.896 3.186 181 HA THR 6 HA THR 6 8.469 7.679 1.584 182 HB THR 6 HB THR 6 7.728 7.778 4.277 183 HG1 THR 6 HG1 THR 6 9.784 7.466 5.036 184 HG21 THR 6 HG21 THR 6 7.987 5.721 2.160 185 HG22 THR 6 HG22 THR 6 6.576 6.211 3.098 186 HG23 THR 6 HG23 THR 6 7.781 5.140 3.812 187 H ILE 7 H ILE 7 10.008 9.863 3.886 188 HA ILE 7 HA ILE 7 7.841 11.669 4.124 189 HB ILE 7 HB ILE 7 10.793 12.154 4.536 190 HG12 ILE 7 HG12 ILE 7 8.635 11.626 6.584 191 HG13 ILE 7 HG13 ILE 7 9.708 10.380 5.955 192 HG21 ILE 7 HG21 ILE 7 9.701 14.259 4.210 193 HG22 ILE 7 HG22 ILE 7 8.391 13.804 5.297 194 HG23 ILE 7 HG23 ILE 7 10.014 14.065 5.934 195 HD11 ILE 7 HD11 ILE 7 10.495 12.814 7.536 196 HD12 ILE 7 HD12 ILE 7 10.528 11.134 8.071 197 HD13 ILE 7 HD13 ILE 7 11.632 11.679 6.808 198 H HIS 8 H HIS 8 10.613 11.493 1.950 199 HA HIS 8 HA HIS 8 10.036 14.006 0.681 200 HB2 HIS 8 HB2 HIS 8 12.187 12.143 0.695 201 HB3 HIS 8 HB3 HIS 8 11.671 12.350 -0.976 202 HD1 HIS 8 HD1 HIS 8 14.198 13.562 0.947 203 HD2 HIS 8 HD2 HIS 8 11.175 15.510 -1.134 204 HE1 HIS 8 HE1 HIS 8 15.044 15.899 0.562 205 H ASN 9 H ASN 9 8.525 11.082 0.584 206 HA ASN 9 HA ASN 9 7.611 11.499 -2.188 207 HB2 ASN 9 HB2 ASN 9 8.785 9.376 -1.970 208 HB3 ASN 9 HB3 ASN 9 7.765 8.923 -0.608 209 HD21 ASN 9 HD21 ASN 9 6.909 10.441 -3.682 210 HD22 ASN 9 HD22 ASN 9 5.840 9.188 -4.205 211 H LEU 10 H LEU 10 6.750 11.845 0.976 212 HA LEU 10 HA LEU 10 3.889 11.514 0.356 213 HB2 LEU 10 HB2 LEU 10 3.466 10.634 2.398 214 HB3 LEU 10 HB3 LEU 10 5.132 10.089 2.213 215 HG LEU 10 HG LEU 10 5.572 12.423 3.459 216 HD11 LEU 10 HD11 LEU 10 2.789 11.585 4.180 217 HD12 LEU 10 HD12 LEU 10 3.410 13.194 3.813 218 HD13 LEU 10 HD13 LEU 10 3.817 12.420 5.344 219 HD21 LEU 10 HD21 LEU 10 6.040 9.886 4.028 220 HD22 LEU 10 HD22 LEU 10 4.749 10.156 5.199 221 HD23 LEU 10 HD23 LEU 10 6.205 11.151 5.246 222 H PHE 11 H PHE 11 6.390 13.622 1.332 223 HA PHE 11 HA PHE 11 5.124 15.545 2.845 224 HB2 PHE 11 HB2 PHE 11 7.523 15.363 1.298 225 HB3 PHE 11 HB3 PHE 11 6.762 16.918 0.974 226 HD1 PHE 11 HD1 PHE 11 8.106 18.444 2.094 227 HD2 PHE 11 HD2 PHE 11 6.772 14.946 4.119 228 HE1 PHE 11 HE1 PHE 11 9.009 19.326 4.207 229 HE2 PHE 11 HE2 PHE 11 7.672 15.823 6.234 230 HZ PHE 11 HZ PHE 11 8.791 18.017 6.281 231 H ARG 12 H ARG 12 4.676 14.777 -0.496 232 HA ARG 12 HA ARG 12 3.643 17.163 -1.489 233 HB2 ARG 12 HB2 ARG 12 2.891 14.316 -2.175 234 HB3 ARG 12 HB3 ARG 12 2.418 15.725 -3.116 235 HG2 ARG 12 HG2 ARG 12 4.999 16.174 -3.167 236 HG3 ARG 12 HG3 ARG 12 5.089 14.445 -2.825 237 HD2 ARG 12 HD2 ARG 12 4.980 14.235 -5.061 238 HD3 ARG 12 HD3 ARG 12 3.251 14.481 -4.815 239 HE ARG 12 HE ARG 12 4.510 16.978 -5.094 240 HH11 ARG 12 HH11 ARG 12 3.684 14.160 -6.964 241 HH12 ARG 12 HH12 ARG 12 3.560 15.028 -8.459 242 HH21 ARG 12 HH21 ARG 12 4.348 18.132 -7.055 243 HH22 ARG 12 HH22 ARG 12 3.939 17.287 -8.509 244 H LYS 13 H LYS 13 2.298 14.923 0.755 245 HA LYS 13 HA LYS 13 -0.351 16.174 0.518 246 HB2 LYS 13 HB2 LYS 13 0.601 13.525 1.526 247 HB3 LYS 13 HB3 LYS 13 -0.882 14.201 2.189 248 HG2 LYS 13 HG2 LYS 13 -1.475 14.505 -0.362 249 HG3 LYS 13 HG3 LYS 13 -0.307 13.195 -0.545 250 HD2 LYS 13 HD2 LYS 13 -2.265 12.015 -0.278 251 HD3 LYS 13 HD3 LYS 13 -1.687 12.095 1.387 252 HE2 LYS 13 HE2 LYS 13 -3.123 14.091 1.730 253 HE3 LYS 13 HE3 LYS 13 -3.762 13.868 0.102 254 HZ1 LYS 13 HZ1 LYS 13 -4.730 11.819 0.714 255 HZ2 LYS 13 HZ2 LYS 13 -5.139 12.912 1.939 256 HZ3 LYS 13 HZ3 LYS 13 -3.912 11.775 2.196 257 H LEU 14 H LEU 14 1.354 14.698 3.267 258 HA LEU 14 HA LEU 14 0.800 17.150 4.804 259 HB2 LEU 14 HB2 LEU 14 1.004 14.319 5.820 260 HB3 LEU 14 HB3 LEU 14 0.676 15.749 6.797 261 HG LEU 14 HG LEU 14 -1.322 15.773 4.874 262 HD11 LEU 14 HD11 LEU 14 -1.186 12.982 5.965 263 HD12 LEU 14 HD12 LEU 14 -0.525 13.398 4.384 264 HD13 LEU 14 HD13 LEU 14 -2.243 13.629 4.710 265 HD21 LEU 14 HD21 LEU 14 -1.732 14.472 7.529 266 HD22 LEU 14 HD22 LEU 14 -2.741 15.646 6.684 267 HD23 LEU 14 HD23 LEU 14 -1.240 16.164 7.452 268 H THR 15 H THR 15 2.475 15.118 6.736 269 HA THR 15 HA THR 15 5.080 16.237 5.922 270 HB THR 15 HB THR 15 5.500 15.861 8.538 271 HG1 THR 15 HG1 THR 15 3.473 16.730 9.536 272 HG21 THR 15 HG21 THR 15 4.886 18.087 6.838 273 HG22 THR 15 HG22 THR 15 5.936 18.028 8.253 274 HG23 THR 15 HG23 THR 15 4.216 18.366 8.445 275 H HIS 16 H HIS 16 4.560 14.070 8.617 276 HA HIS 16 HA HIS 16 5.882 11.916 7.101 277 HB2 HIS 16 HB2 HIS 16 6.888 11.259 9.354 278 HB3 HIS 16 HB3 HIS 16 7.543 12.705 8.591 279 HD1 HIS 16 HD1 HIS 16 6.863 15.008 9.663 280 HD2 HIS 16 HD2 HIS 16 5.681 11.652 11.808 281 HE1 HIS 16 HE1 HIS 16 6.239 15.856 11.947 282 H ARG 17 H ARG 17 3.805 11.030 6.653 283 HA ARG 17 HA ARG 17 2.556 9.733 8.985 284 HB2 ARG 17 HB2 ARG 17 1.166 10.542 6.427 285 HB3 ARG 17 HB3 ARG 17 0.416 9.851 7.860 286 HG2 ARG 17 HG2 ARG 17 1.744 12.548 7.677 287 HG3 ARG 17 HG3 ARG 17 0.007 12.236 7.734 288 HD2 ARG 17 HD2 ARG 17 0.960 10.887 9.935 289 HD3 ARG 17 HD3 ARG 17 1.968 12.333 9.889 290 HE ARG 17 HE ARG 17 -0.599 13.234 9.545 291 HH11 ARG 17 HH11 ARG 17 1.098 11.386 11.959 292 HH12 ARG 17 HH12 ARG 17 0.108 11.941 13.267 293 HH21 ARG 17 HH21 ARG 17 -1.910 13.972 11.260 294 HH22 ARG 17 HH22 ARG 17 -1.604 13.412 12.868 295 H LEU 18 H LEU 18 2.959 9.442 5.456 296 HA LEU 18 HA LEU 18 2.310 6.701 5.328 297 HB2 LEU 18 HB2 LEU 18 4.086 8.253 3.453 298 HB3 LEU 18 HB3 LEU 18 3.233 6.751 3.100 299 HG LEU 18 HG LEU 18 2.037 9.488 3.505 300 HD11 LEU 18 HD11 LEU 18 3.123 8.604 1.277 301 HD12 LEU 18 HD12 LEU 18 1.612 9.512 1.261 302 HD13 LEU 18 HD13 LEU 18 1.586 7.754 1.131 303 HD21 LEU 18 HD21 LEU 18 0.509 8.047 4.560 304 HD22 LEU 18 HD22 LEU 18 0.742 6.780 3.356 305 HD23 LEU 18 HD23 LEU 18 -0.115 8.260 2.925 306 H PHE 19 H PHE 19 4.941 8.196 6.712 307 HA PHE 19 HA PHE 19 7.055 6.460 6.009 308 HB2 PHE 19 HB2 PHE 19 7.541 8.593 7.027 309 HB3 PHE 19 HB3 PHE 19 6.617 8.169 8.463 310 HD1 PHE 19 HD1 PHE 19 8.210 8.279 10.159 311 HD2 PHE 19 HD2 PHE 19 9.060 6.077 6.616 312 HE1 PHE 19 HE1 PHE 19 10.250 7.387 11.206 313 HE2 PHE 19 HE2 PHE 19 11.100 5.182 7.659 314 HZ PHE 19 HZ PHE 19 11.697 5.836 9.956 315 H ARG 20 H ARG 20 4.874 6.494 8.821 316 HA ARG 20 HA ARG 20 5.616 3.683 9.312 317 HB2 ARG 20 HB2 ARG 20 4.797 5.839 11.260 318 HB3 ARG 20 HB3 ARG 20 4.888 4.136 11.685 319 HG2 ARG 20 HG2 ARG 20 7.203 4.078 11.482 320 HG3 ARG 20 HG3 ARG 20 7.248 5.550 10.510 321 HD2 ARG 20 HD2 ARG 20 6.958 6.928 12.343 322 HD3 ARG 20 HD3 ARG 20 6.211 5.655 13.309 323 HE ARG 20 HE ARG 20 8.954 5.120 12.677 324 HH11 ARG 20 HH11 ARG 20 6.818 6.799 14.853 325 HH12 ARG 20 HH12 ARG 20 7.958 6.829 16.157 326 HH21 ARG 20 HH21 ARG 20 10.464 5.153 14.386 327 HH22 ARG 20 HH22 ARG 20 10.032 5.894 15.889 328 H ARG 21 H ARG 21 3.009 6.033 9.143 329 HA ARG 21 HA ARG 21 0.913 4.287 9.895 330 HB2 ARG 21 HB2 ARG 21 1.041 6.932 9.558 331 HB3 ARG 21 HB3 ARG 21 0.376 6.505 7.986 332 HG2 ARG 21 HG2 ARG 21 -1.647 6.221 8.843 333 HG3 ARG 21 HG3 ARG 21 -1.030 5.133 10.089 334 HD2 ARG 21 HD2 ARG 21 -0.185 7.390 11.155 335 HD3 ARG 21 HD3 ARG 21 -1.483 8.075 10.179 336 HE ARG 21 HE ARG 21 -1.764 6.576 12.581 337 HH11 ARG 21 HH11 ARG 21 -3.270 7.222 9.509 338 HH12 ARG 21 HH12 ARG 21 -4.869 6.859 10.069 339 HH21 ARG 21 HH21 ARG 21 -3.865 6.096 13.330 340 HH22 ARG 21 HH22 ARG 21 -5.206 6.219 12.243 341 H ASN 22 H ASN 22 2.762 4.576 7.037 342 HA ASN 22 HA ASN 22 0.863 2.822 5.623 343 HB2 ASN 22 HB2 ASN 22 1.162 5.196 4.692 344 HB3 ASN 22 HB3 ASN 22 2.779 4.680 4.222 345 HD21 ASN 22 HD21 ASN 22 2.932 2.801 2.814 346 HD22 ASN 22 HD22 ASN 22 1.684 2.526 1.651 347 H PHE 23 H PHE 23 4.289 3.801 5.720 348 HA PHE 23 HA PHE 23 5.078 1.185 4.713 349 HB2 PHE 23 HB2 PHE 23 6.474 3.801 5.128 350 HB3 PHE 23 HB3 PHE 23 7.429 2.327 5.014 351 HD1 PHE 23 HD1 PHE 23 8.022 1.482 2.941 352 HD2 PHE 23 HD2 PHE 23 4.812 4.263 3.221 353 HE1 PHE 23 HE1 PHE 23 7.914 1.599 0.486 354 HE2 PHE 23 HE2 PHE 23 4.698 4.384 0.766 355 HZ PHE 23 HZ PHE 23 6.250 3.051 -0.605 356 H GLY 24 H GLY 24 4.062 2.009 7.560 357 HA2 GLY 24 HA2 GLY 24 6.264 0.731 9.056 358 HA3 GLY 24 HA3 GLY 24 5.099 1.843 9.761 359 H TYR 25 H TYR 25 2.931 0.471 8.160 360 HA TYR 25 HA TYR 25 2.253 -1.454 10.184 361 HB2 TYR 25 HB2 TYR 25 0.845 0.111 8.284 362 HB3 TYR 25 HB3 TYR 25 0.467 -1.574 7.948 363 HD1 TYR 25 HD1 TYR 25 0.220 1.129 10.417 364 HD2 TYR 25 HD2 TYR 25 -0.788 -2.906 9.526 365 HE1 TYR 25 HE1 TYR 25 -1.393 1.128 12.274 366 HE2 TYR 25 HE2 TYR 25 -2.404 -2.919 11.379 367 HH TYR 25 HH TYR 25 -2.938 -0.024 13.370 368 H THR 26 H THR 26 3.973 -1.569 7.298 369 HA THR 26 HA THR 26 3.291 -4.354 6.730 370 HB THR 26 HB THR 26 4.659 -2.190 5.227 371 HG1 THR 26 HG1 THR 26 2.494 -2.898 4.790 372 HG21 THR 26 HG21 THR 26 6.432 -3.832 5.271 373 HG22 THR 26 HG22 THR 26 5.675 -3.845 3.678 374 HG23 THR 26 HG23 THR 26 5.301 -5.115 4.843 375 H LEU 27 H LEU 27 6.226 -2.411 7.314 376 HA LEU 27 HA LEU 27 7.907 -4.678 7.657 377 HB2 LEU 27 HB2 LEU 27 9.618 -3.181 8.082 378 HB3 LEU 27 HB3 LEU 27 8.532 -2.260 7.042 379 HG LEU 27 HG LEU 27 7.612 -1.473 9.432 380 HD11 LEU 27 HD11 LEU 27 10.320 -2.561 9.899 381 HD12 LEU 27 HD12 LEU 27 8.954 -2.393 11.002 382 HD13 LEU 27 HD13 LEU 27 9.954 -0.992 10.619 383 HD21 LEU 27 HD21 LEU 27 8.480 0.551 8.885 384 HD22 LEU 27 HD22 LEU 27 8.792 -0.281 7.360 385 HD23 LEU 27 HD23 LEU 27 10.084 -0.102 8.548 386 H ARG 28 H ARG 28 5.462 -3.607 9.546 387 HA ARG 28 HA ARG 28 6.461 -3.576 12.149 388 HB2 ARG 28 HB2 ARG 28 3.962 -3.392 10.973 389 HB3 ARG 28 HB3 ARG 28 3.852 -4.867 11.926 390 HG2 ARG 28 HG2 ARG 28 4.000 -3.768 13.906 391 HG3 ARG 28 HG3 ARG 28 5.015 -2.485 13.244 392 HD2 ARG 28 HD2 ARG 28 3.221 -1.286 12.452 393 HD3 ARG 28 HD3 ARG 28 2.195 -2.713 12.315 394 HE ARG 28 HE ARG 28 1.525 -2.406 14.486 395 HH11 ARG 28 HH11 ARG 28 4.331 -0.444 13.852 396 HH12 ARG 28 HH12 ARG 28 4.230 0.416 15.352 397 HH21 ARG 28 HH21 ARG 28 1.382 -1.280 16.465 398 HH22 ARG 28 HH22 ARG 28 2.553 -0.061 16.839 Start of MODEL 8 1 H1 VAL 1 H VAL 1 1.467 -1.910 -3.822 2 HA VAL 1 HA VAL 1 1.816 0.330 -3.529 3 HB VAL 1 HB VAL 1 1.008 1.236 -1.345 4 HG11 VAL 1 HG11 VAL 1 -1.308 -0.107 -1.626 5 HG12 VAL 1 HG12 VAL 1 -0.779 1.167 -2.726 6 HG13 VAL 1 HG13 VAL 1 -0.523 -0.527 -3.147 7 HG21 VAL 1 HG21 VAL 1 0.291 -0.136 0.400 8 HG22 VAL 1 HG22 VAL 1 0.284 -1.581 -0.611 9 HG23 VAL 1 HG23 VAL 1 1.815 -0.868 -0.103 10 H ALA 2 H ALA 2 4.191 -1.064 -3.350 11 HA ALA 2 HA ALA 2 5.621 0.397 -1.226 12 HB1 ALA 2 HB1 ALA 2 5.520 -2.178 -1.115 13 HB2 ALA 2 HB2 ALA 2 6.681 -2.126 -2.443 14 HB3 ALA 2 HB3 ALA 2 7.079 -1.382 -0.894 15 H ARG 3 H ARG 3 5.626 2.114 -2.922 16 HA ARG 3 HA ARG 3 7.786 1.664 -4.875 17 HB2 ARG 3 HB2 ARG 3 6.663 3.791 -5.943 18 HB3 ARG 3 HB3 ARG 3 6.009 2.185 -6.238 19 HG2 ARG 3 HG2 ARG 3 4.944 3.670 -3.910 20 HG3 ARG 3 HG3 ARG 3 4.495 4.244 -5.517 21 HD2 ARG 3 HD2 ARG 3 4.208 1.471 -5.625 22 HD3 ARG 3 HD3 ARG 3 3.556 1.939 -4.055 23 HE ARG 3 HE ARG 3 2.433 3.711 -5.782 24 HH11 ARG 3 HH11 ARG 3 2.607 0.237 -5.635 25 HH12 ARG 3 HH12 ARG 3 1.083 -0.003 -6.426 26 HH21 ARG 3 HH21 ARG 3 0.426 3.409 -6.824 27 HH22 ARG 3 HH22 ARG 3 -0.155 1.802 -7.102 28 H GLY 4 H GLY 4 6.767 3.425 -2.134 29 HA2 GLY 4 HA2 GLY 4 8.421 5.737 -2.544 30 HA3 GLY 4 HA3 GLY 4 7.607 5.286 -1.052 31 H TRP 5 H TRP 5 9.107 2.558 -1.688 32 HA TRP 5 HA TRP 5 11.617 3.392 -0.385 33 HB2 TRP 5 HB2 TRP 5 9.747 1.143 0.182 34 HB3 TRP 5 HB3 TRP 5 11.470 0.851 0.404 35 HD1 TRP 5 HD1 TRP 5 10.549 4.373 1.200 36 HE1 TRP 5 HE1 TRP 5 10.476 4.712 3.751 37 HE3 TRP 5 HE3 TRP 5 10.756 -0.518 2.675 38 HZ2 TRP 5 HZ2 TRP 5 10.504 3.117 6.079 39 HZ3 TRP 5 HZ3 TRP 5 10.729 -1.025 5.083 40 HH2 TRP 5 HH2 TRP 5 10.606 0.756 6.748 41 H LYS 6 H LYS 6 10.230 1.972 -3.100 42 HA LYS 6 HA LYS 6 12.768 0.656 -3.816 43 HB2 LYS 6 HB2 LYS 6 11.093 -1.009 -3.833 44 HB3 LYS 6 HB3 LYS 6 9.924 0.058 -4.601 45 HG2 LYS 6 HG2 LYS 6 12.297 -0.338 -6.226 46 HG3 LYS 6 HG3 LYS 6 11.464 -1.849 -5.852 47 HD2 LYS 6 HD2 LYS 6 9.607 0.257 -6.572 48 HD3 LYS 6 HD3 LYS 6 10.797 -0.030 -7.844 49 HE2 LYS 6 HE2 LYS 6 9.300 -2.277 -6.526 50 HE3 LYS 6 HE3 LYS 6 8.640 -1.402 -7.907 51 HZ1 LYS 6 HZ1 LYS 6 11.228 -2.862 -7.857 52 HZ2 LYS 6 HZ2 LYS 6 10.602 -2.018 -9.182 53 HZ3 LYS 6 HZ3 LYS 6 9.807 -3.395 -8.605 54 H ARG 7 H ARG 7 10.060 2.539 -5.146 55 HA ARG 7 HA ARG 7 11.543 3.185 -7.538 56 HB2 ARG 7 HB2 ARG 7 8.938 4.381 -6.588 57 HB3 ARG 7 HB3 ARG 7 9.581 4.395 -8.224 58 HG2 ARG 7 HG2 ARG 7 9.411 1.883 -8.192 59 HG3 ARG 7 HG3 ARG 7 8.512 2.049 -6.682 60 HD2 ARG 7 HD2 ARG 7 6.929 3.562 -7.902 61 HD3 ARG 7 HD3 ARG 7 7.767 3.132 -9.392 62 HE ARG 7 HE ARG 7 6.940 0.804 -8.010 63 HH11 ARG 7 HH11 ARG 7 5.719 3.426 -9.948 64 HH12 ARG 7 HH12 ARG 7 4.375 2.521 -10.560 65 HH21 ARG 7 HH21 ARG 7 5.174 -0.398 -8.808 66 HH22 ARG 7 HH22 ARG 7 4.065 0.345 -9.910 67 H LYS 8 H LYS 8 10.290 4.998 -4.743 68 HA LYS 8 HA LYS 8 11.195 7.519 -5.370 69 HB2 LYS 8 HB2 LYS 8 10.482 6.089 -2.915 70 HB3 LYS 8 HB3 LYS 8 11.629 7.396 -2.653 71 HG2 LYS 8 HG2 LYS 8 9.294 8.105 -2.374 72 HG3 LYS 8 HG3 LYS 8 10.121 8.983 -3.662 73 HD2 LYS 8 HD2 LYS 8 8.738 8.189 -5.238 74 HD3 LYS 8 HD3 LYS 8 8.776 6.554 -4.575 75 HE2 LYS 8 HE2 LYS 8 6.927 6.883 -3.308 76 HE3 LYS 8 HE3 LYS 8 7.307 8.577 -3.001 77 HZ1 LYS 8 HZ1 LYS 8 5.486 7.538 -4.834 78 HZ2 LYS 8 HZ2 LYS 8 6.733 8.246 -5.731 79 HZ3 LYS 8 HZ3 LYS 8 5.894 9.160 -4.581 80 H CYS 9 H CYS 9 12.926 5.446 -3.046 81 HA CYS 9 HA CYS 9 15.451 6.500 -4.139 82 HB2 CYS 9 HB2 CYS 9 14.490 6.932 -1.602 83 HB3 CYS 9 HB3 CYS 9 15.537 5.537 -1.367 84 HG CYS 9 HG CYS 9 16.335 8.725 -2.020 85 HA PRO 10 HA PRO 10 16.089 2.165 -5.007 86 HB2 PRO 10 HB2 PRO 10 18.476 2.503 -6.255 87 HB3 PRO 10 HB3 PRO 10 16.927 2.844 -7.035 88 HG2 PRO 10 HG2 PRO 10 18.859 4.736 -5.750 89 HG3 PRO 10 HG3 PRO 10 17.964 4.912 -7.271 90 HD2 PRO 10 HD2 PRO 10 17.183 6.115 -4.974 91 HD3 PRO 10 HD3 PRO 10 16.028 5.561 -6.204 92 H LEU 11 H LEU 11 16.730 3.251 -2.381 93 HA LEU 11 HA LEU 11 19.309 1.927 -1.864 94 HB2 LEU 11 HB2 LEU 11 17.861 4.035 -0.271 95 HB3 LEU 11 HB3 LEU 11 19.348 3.237 0.238 96 HG LEU 11 HG LEU 11 19.077 4.965 -2.220 97 HD11 LEU 11 HD11 LEU 11 19.108 5.789 0.424 98 HD12 LEU 11 HD12 LEU 11 19.497 6.768 -0.990 99 HD13 LEU 11 HD13 LEU 11 20.784 5.953 -0.102 100 HD21 LEU 11 HD21 LEU 11 21.268 3.356 -1.025 101 HD22 LEU 11 HD22 LEU 11 21.681 4.914 -1.741 102 HD23 LEU 11 HD23 LEU 11 20.889 3.676 -2.718 103 H PHE 12 H PHE 12 15.939 1.809 -1.330 104 HA PHE 12 HA PHE 12 16.290 -0.184 0.809 105 HB2 PHE 12 HB2 PHE 12 14.603 2.037 0.697 106 HB3 PHE 12 HB3 PHE 12 13.548 0.665 0.378 107 HD1 PHE 12 HD1 PHE 12 13.273 -1.105 2.050 108 HD2 PHE 12 HD2 PHE 12 15.593 2.374 2.843 109 HE1 PHE 12 HE1 PHE 12 13.190 -1.602 4.457 110 HE2 PHE 12 HE2 PHE 12 15.515 1.882 5.251 111 HZ PHE 12 HZ PHE 12 14.313 -0.108 6.062 112 H GLY 13 H GLY 13 15.292 0.314 -2.432 113 HA2 GLY 13 HA2 GLY 13 14.188 -2.428 -2.508 114 HA3 GLY 13 HA3 GLY 13 13.599 -1.127 -3.532 115 H LYS 14 H LYS 14 15.153 -0.201 -5.087 116 HA LYS 14 HA LYS 14 16.223 -2.084 -6.782 117 HB2 LYS 14 HB2 LYS 14 15.858 0.558 -6.965 118 HB3 LYS 14 HB3 LYS 14 17.593 0.555 -6.671 119 HG2 LYS 14 HG2 LYS 14 18.053 -0.161 -8.733 120 HG3 LYS 14 HG3 LYS 14 16.764 -1.366 -8.701 121 HD2 LYS 14 HD2 LYS 14 15.809 -0.035 -10.246 122 HD3 LYS 14 HD3 LYS 14 15.322 0.926 -8.848 123 HE2 LYS 14 HE2 LYS 14 16.961 2.516 -9.208 124 HE3 LYS 14 HE3 LYS 14 17.980 1.407 -10.126 125 HZ1 LYS 14 HZ1 LYS 14 16.126 3.255 -11.102 126 HZ2 LYS 14 HZ2 LYS 14 15.549 1.712 -11.483 127 HZ3 LYS 14 HZ3 LYS 14 17.094 2.184 -11.983 128 H GLY 15 H GLY 15 18.101 -0.002 -4.566 129 HA2 GLY 15 HA2 GLY 15 20.374 -1.829 -4.852 130 HA3 GLY 15 HA3 GLY 15 20.421 -0.223 -4.138 131 H GLY 16 H GLY 16 17.981 -2.585 -3.293 132 HA2 GLY 16 HA2 GLY 16 18.448 -2.336 -0.529 133 HA3 GLY 16 HA3 GLY 16 17.483 -3.592 -1.291 134 H1 LYS 1 H LYS 1 18.100 2.704 7.047 135 HA LYS 1 HA LYS 1 17.696 5.598 6.655 136 HB2 LYS 1 HB2 LYS 1 18.691 3.724 4.517 137 HB3 LYS 1 HB3 LYS 1 18.743 5.482 4.536 138 HG2 LYS 1 HG2 LYS 1 20.374 5.385 6.382 139 HG3 LYS 1 HG3 LYS 1 20.361 3.623 6.267 140 HD2 LYS 1 HD2 LYS 1 22.027 3.844 4.796 141 HD3 LYS 1 HD3 LYS 1 20.811 4.444 3.666 142 HE2 LYS 1 HE2 LYS 1 21.281 6.709 4.254 143 HE3 LYS 1 HE3 LYS 1 22.305 6.207 5.598 144 HZ1 LYS 1 HZ1 LYS 1 23.750 6.807 3.868 145 HZ2 LYS 1 HZ2 LYS 1 22.859 5.969 2.700 146 HZ3 LYS 1 HZ3 LYS 1 23.744 5.114 3.861 147 H TYR 2 H TYR 2 15.434 4.883 7.236 148 HA TYR 2 HA TYR 2 14.044 3.928 4.818 149 HB2 TYR 2 HB2 TYR 2 12.263 3.512 6.879 150 HB3 TYR 2 HB3 TYR 2 13.280 2.279 6.143 151 HD1 TYR 2 HD1 TYR 2 13.007 4.621 8.989 152 HD2 TYR 2 HD2 TYR 2 15.064 1.277 7.352 153 HE1 TYR 2 HE1 TYR 2 14.101 4.241 11.159 154 HE2 TYR 2 HE2 TYR 2 16.164 0.886 9.517 155 HH TYR 2 HH TYR 2 15.358 2.822 12.364 156 H GLU 3 H GLU 3 13.679 5.939 7.731 157 HA GLU 3 HA GLU 3 11.346 7.264 7.054 158 HB2 GLU 3 HB2 GLU 3 12.220 9.127 8.496 159 HB3 GLU 3 HB3 GLU 3 12.250 7.538 9.246 160 HG2 GLU 3 HG2 GLU 3 14.660 7.374 8.595 161 HG3 GLU 3 HG3 GLU 3 14.570 9.062 8.096 162 H ILE 4 H ILE 4 14.695 8.167 6.279 163 HA ILE 4 HA ILE 4 13.994 10.506 4.829 164 HB ILE 4 HB ILE 4 16.248 10.712 4.261 165 HG12 ILE 4 HG12 ILE 4 16.535 8.583 3.113 166 HG13 ILE 4 HG13 ILE 4 17.843 8.817 4.268 167 HG21 ILE 4 HG21 ILE 4 16.892 9.081 6.609 168 HG22 ILE 4 HG22 ILE 4 17.137 10.803 6.317 169 HG23 ILE 4 HG23 ILE 4 15.561 10.214 6.845 170 HD11 ILE 4 HD11 ILE 4 15.428 7.061 4.627 171 HD12 ILE 4 HD12 ILE 4 17.087 6.538 4.332 172 HD13 ILE 4 HD13 ILE 4 16.670 7.340 5.847 173 H THR 5 H THR 5 13.454 7.327 4.120 174 HA THR 5 HA THR 5 13.815 7.645 1.229 175 HB THR 5 HB THR 5 13.062 5.181 2.813 176 HG1 THR 5 HG1 THR 5 15.514 6.088 1.691 177 HG21 THR 5 HG21 THR 5 12.204 5.206 0.484 178 HG22 THR 5 HG22 THR 5 13.415 3.953 0.760 179 HG23 THR 5 HG23 THR 5 13.856 5.434 -0.089 180 H THR 6 H THR 6 11.377 7.454 3.691 181 HA THR 6 HA THR 6 9.273 7.409 1.631 182 HB THR 6 HB THR 6 8.890 5.619 3.137 183 HG1 THR 6 HG1 THR 6 7.108 7.260 2.729 184 HG21 THR 6 HG21 THR 6 10.274 6.065 4.981 185 HG22 THR 6 HG22 THR 6 8.639 6.138 5.636 186 HG23 THR 6 HG23 THR 6 9.515 7.627 5.284 187 H ILE 7 H ILE 7 10.926 9.454 3.694 188 HA ILE 7 HA ILE 7 8.672 11.261 4.120 189 HB ILE 7 HB ILE 7 11.516 11.299 5.115 190 HG12 ILE 7 HG12 ILE 7 9.859 9.790 6.221 191 HG13 ILE 7 HG13 ILE 7 10.511 11.026 7.292 192 HG21 ILE 7 HG21 ILE 7 9.550 13.484 4.924 193 HG22 ILE 7 HG22 ILE 7 10.347 13.303 6.485 194 HG23 ILE 7 HG23 ILE 7 11.310 13.543 5.026 195 HD11 ILE 7 HD11 ILE 7 8.141 10.762 7.651 196 HD12 ILE 7 HD12 ILE 7 8.473 12.352 6.964 197 HD13 ILE 7 HD13 ILE 7 7.821 11.069 5.944 198 H HIS 8 H HIS 8 11.616 10.968 2.256 199 HA HIS 8 HA HIS 8 11.852 13.622 1.375 200 HB2 HIS 8 HB2 HIS 8 13.120 11.134 0.847 201 HB3 HIS 8 HB3 HIS 8 12.673 11.840 -0.704 202 HD1 HIS 8 HD1 HIS 8 14.060 13.463 2.452 203 HD2 HIS 8 HD2 HIS 8 14.900 13.078 -1.598 204 HE1 HIS 8 HE1 HIS 8 16.100 14.878 2.051 205 H ASN 9 H ASN 9 9.668 11.099 0.491 206 HA ASN 9 HA ASN 9 8.659 12.747 -1.733 207 HB2 ASN 9 HB2 ASN 9 9.500 10.149 -1.883 208 HB3 ASN 9 HB3 ASN 9 7.771 9.943 -1.619 209 HD21 ASN 9 HD21 ASN 9 10.196 11.357 -3.706 210 HD22 ASN 9 HD22 ASN 9 9.187 11.500 -5.102 211 H LEU 10 H LEU 10 8.078 12.519 1.312 212 HA LEU 10 HA LEU 10 5.151 12.323 1.029 213 HB2 LEU 10 HB2 LEU 10 5.610 10.572 2.442 214 HB3 LEU 10 HB3 LEU 10 6.996 11.383 3.169 215 HG LEU 10 HG LEU 10 5.402 12.874 4.376 216 HD11 LEU 10 HD11 LEU 10 3.304 10.922 3.451 217 HD12 LEU 10 HD12 LEU 10 3.519 12.537 2.776 218 HD13 LEU 10 HD13 LEU 10 3.077 12.343 4.473 219 HD21 LEU 10 HD21 LEU 10 4.481 10.286 5.304 220 HD22 LEU 10 HD22 LEU 10 5.532 11.460 6.093 221 HD23 LEU 10 HD23 LEU 10 6.209 10.293 4.958 222 H PHE 11 H PHE 11 7.864 14.149 2.172 223 HA PHE 11 HA PHE 11 6.507 15.967 3.846 224 HB2 PHE 11 HB2 PHE 11 9.162 15.663 2.753 225 HB3 PHE 11 HB3 PHE 11 8.656 17.349 2.676 226 HD1 PHE 11 HD1 PHE 11 7.701 14.853 5.237 227 HD2 PHE 11 HD2 PHE 11 10.010 18.311 4.325 228 HE1 PHE 11 HE1 PHE 11 8.240 15.120 7.623 229 HE2 PHE 11 HE2 PHE 11 10.552 18.582 6.709 230 HZ PHE 11 HZ PHE 11 9.668 16.985 8.362 231 H ARG 12 H ARG 12 6.216 15.471 0.569 232 HA ARG 12 HA ARG 12 6.115 17.884 -0.685 233 HB2 ARG 12 HB2 ARG 12 4.381 15.450 -0.914 234 HB3 ARG 12 HB3 ARG 12 4.017 16.877 -1.874 235 HG2 ARG 12 HG2 ARG 12 6.778 15.746 -1.897 236 HG3 ARG 12 HG3 ARG 12 5.503 14.987 -2.854 237 HD2 ARG 12 HD2 ARG 12 5.731 17.924 -3.069 238 HD3 ARG 12 HD3 ARG 12 7.058 16.988 -3.757 239 HE ARG 12 HE ARG 12 4.847 15.780 -4.757 240 HH11 ARG 12 HH11 ARG 12 5.968 19.076 -4.689 241 HH12 ARG 12 HH12 ARG 12 5.200 19.505 -6.182 242 HH21 ARG 12 HH21 ARG 12 3.831 16.333 -6.723 243 HH22 ARG 12 HH22 ARG 12 3.985 17.944 -7.337 244 H LYS 13 H LYS 13 2.986 16.540 0.236 245 HA LYS 13 HA LYS 13 2.276 19.145 1.416 246 HB2 LYS 13 HB2 LYS 13 0.009 18.865 0.482 247 HB3 LYS 13 HB3 LYS 13 1.238 18.968 -0.772 248 HG2 LYS 13 HG2 LYS 13 1.198 16.414 -0.771 249 HG3 LYS 13 HG3 LYS 13 -0.300 16.566 0.149 250 HD2 LYS 13 HD2 LYS 13 -1.463 17.417 -1.623 251 HD3 LYS 13 HD3 LYS 13 -0.034 18.171 -2.337 252 HE2 LYS 13 HE2 LYS 13 0.508 15.455 -2.441 253 HE3 LYS 13 HE3 LYS 13 -1.208 15.563 -2.831 254 HZ1 LYS 13 HZ1 LYS 13 -0.676 17.172 -4.557 255 HZ2 LYS 13 HZ2 LYS 13 0.152 15.719 -4.815 256 HZ3 LYS 13 HZ3 LYS 13 0.972 17.059 -4.186 257 H LEU 14 H LEU 14 2.916 16.131 2.222 258 HA LEU 14 HA LEU 14 0.770 15.995 4.236 259 HB2 LEU 14 HB2 LEU 14 2.071 13.858 2.611 260 HB3 LEU 14 HB3 LEU 14 1.474 13.473 4.225 261 HG LEU 14 HG LEU 14 -0.414 14.823 2.382 262 HD11 LEU 14 HD11 LEU 14 -0.308 11.903 2.067 263 HD12 LEU 14 HD12 LEU 14 1.005 12.794 1.297 264 HD13 LEU 14 HD13 LEU 14 -0.671 13.165 0.889 265 HD21 LEU 14 HD21 LEU 14 -1.326 14.319 4.459 266 HD22 LEU 14 HD22 LEU 14 -0.504 12.762 4.555 267 HD23 LEU 14 HD23 LEU 14 -1.864 12.976 3.451 268 H THR 15 H THR 15 1.459 16.301 6.238 269 HA THR 15 HA THR 15 4.110 16.686 6.978 270 HB THR 15 HB THR 15 3.121 16.087 9.365 271 HG1 THR 15 HG1 THR 15 1.129 15.351 7.986 272 HG21 THR 15 HG21 THR 15 3.767 18.334 8.494 273 HG22 THR 15 HG22 THR 15 2.374 18.363 9.575 274 HG23 THR 15 HG23 THR 15 2.140 18.494 7.833 275 H HIS 16 H HIS 16 2.484 14.269 8.876 276 HA HIS 16 HA HIS 16 4.520 12.290 8.090 277 HB2 HIS 16 HB2 HIS 16 4.371 11.509 10.520 278 HB3 HIS 16 HB3 HIS 16 5.228 13.018 10.222 279 HD1 HIS 16 HD1 HIS 16 2.293 11.603 11.970 280 HD2 HIS 16 HD2 HIS 16 3.840 15.356 11.084 281 HE1 HIS 16 HE1 HIS 16 1.051 13.208 13.453 282 H ARG 17 H ARG 17 2.895 11.446 6.648 283 HA ARG 17 HA ARG 17 0.850 9.859 8.056 284 HB2 ARG 17 HB2 ARG 17 0.689 11.493 5.575 285 HB3 ARG 17 HB3 ARG 17 -0.216 9.986 5.613 286 HG2 ARG 17 HG2 ARG 17 -1.817 11.334 6.453 287 HG3 ARG 17 HG3 ARG 17 -0.976 10.990 7.966 288 HD2 ARG 17 HD2 ARG 17 0.432 13.120 6.947 289 HD3 ARG 17 HD3 ARG 17 -1.228 13.489 6.484 290 HE ARG 17 HE ARG 17 -0.124 13.652 9.087 291 HH11 ARG 17 HH11 ARG 17 -3.032 12.780 7.382 292 HH12 ARG 17 HH12 ARG 17 -4.078 13.148 8.712 293 HH21 ARG 17 HH21 ARG 17 -1.493 14.140 10.846 294 HH22 ARG 17 HH22 ARG 17 -3.201 13.923 10.682 295 H LEU 18 H LEU 18 2.392 9.950 4.838 296 HA LEU 18 HA LEU 18 2.250 7.137 4.496 297 HB2 LEU 18 HB2 LEU 18 4.046 9.088 3.066 298 HB3 LEU 18 HB3 LEU 18 3.576 7.483 2.511 299 HG LEU 18 HG LEU 18 1.478 9.561 2.969 300 HD11 LEU 18 HD11 LEU 18 2.059 9.656 0.262 301 HD12 LEU 18 HD12 LEU 18 3.634 9.748 1.050 302 HD13 LEU 18 HD13 LEU 18 2.377 10.916 1.455 303 HD21 LEU 18 HD21 LEU 18 1.789 7.011 1.475 304 HD22 LEU 18 HD22 LEU 18 0.705 8.236 0.816 305 HD23 LEU 18 HD23 LEU 18 0.436 7.601 2.439 306 H PHE 19 H PHE 19 4.021 8.764 6.648 307 HA PHE 19 HA PHE 19 6.570 7.462 6.300 308 HB2 PHE 19 HB2 PHE 19 6.513 9.681 7.288 309 HB3 PHE 19 HB3 PHE 19 5.460 9.110 8.578 310 HD1 PHE 19 HD1 PHE 19 6.866 9.723 10.393 311 HD2 PHE 19 HD2 PHE 19 8.334 7.216 7.283 312 HE1 PHE 19 HE1 PHE 19 8.839 9.185 11.762 313 HE2 PHE 19 HE2 PHE 19 10.308 6.673 8.646 314 HZ PHE 19 HZ PHE 19 10.563 7.658 10.890 315 H ARG 20 H ARG 20 3.871 7.227 8.599 316 HA ARG 20 HA ARG 20 4.901 4.584 9.402 317 HB2 ARG 20 HB2 ARG 20 3.776 4.919 11.556 318 HB3 ARG 20 HB3 ARG 20 4.956 6.186 11.246 319 HG2 ARG 20 HG2 ARG 20 2.819 7.414 10.268 320 HG3 ARG 20 HG3 ARG 20 2.003 6.336 11.403 321 HD2 ARG 20 HD2 ARG 20 4.360 7.979 12.255 322 HD3 ARG 20 HD3 ARG 20 2.740 8.673 12.215 323 HE ARG 20 HE ARG 20 2.536 6.310 13.629 324 HH11 ARG 20 HH11 ARG 20 4.253 9.324 13.924 325 HH12 ARG 20 HH12 ARG 20 4.295 9.281 15.656 326 HH21 ARG 20 HH21 ARG 20 2.584 6.242 15.909 327 HH22 ARG 20 HH22 ARG 20 3.346 7.527 16.784 328 H ARG 21 H ARG 21 2.086 6.465 8.484 329 HA ARG 21 HA ARG 21 0.184 4.380 8.852 330 HB2 ARG 21 HB2 ARG 21 -0.124 6.683 6.937 331 HB3 ARG 21 HB3 ARG 21 -1.379 5.819 7.815 332 HG2 ARG 21 HG2 ARG 21 0.669 7.688 8.986 333 HG3 ARG 21 HG3 ARG 21 -1.055 8.001 8.778 334 HD2 ARG 21 HD2 ARG 21 0.161 5.871 10.535 335 HD3 ARG 21 HD3 ARG 21 -0.525 7.398 11.088 336 HE ARG 21 HE ARG 21 -1.953 5.028 10.419 337 HH11 ARG 21 HH11 ARG 21 -2.140 8.504 10.379 338 HH12 ARG 21 HH12 ARG 21 -3.870 8.542 10.453 339 HH21 ARG 21 HH21 ARG 21 -4.231 5.065 10.516 340 HH22 ARG 21 HH22 ARG 21 -5.059 6.585 10.532 341 H ASN 22 H ASN 22 2.647 4.770 6.631 342 HA ASN 22 HA ASN 22 1.301 2.979 4.716 343 HB2 ASN 22 HB2 ASN 22 3.051 5.360 4.257 344 HB3 ASN 22 HB3 ASN 22 3.128 4.023 3.112 345 HD21 ASN 22 HD21 ASN 22 0.583 5.754 4.886 346 HD22 ASN 22 HD22 ASN 22 -0.435 6.008 3.513 347 H PHE 23 H PHE 23 4.596 4.055 5.577 348 HA PHE 23 HA PHE 23 5.560 1.334 5.129 349 HB2 PHE 23 HB2 PHE 23 6.989 3.964 5.526 350 HB3 PHE 23 HB3 PHE 23 7.828 2.419 5.429 351 HD1 PHE 23 HD1 PHE 23 6.118 5.029 3.587 352 HD2 PHE 23 HD2 PHE 23 7.813 1.133 3.331 353 HE1 PHE 23 HE1 PHE 23 6.145 5.206 1.133 354 HE2 PHE 23 HE2 PHE 23 7.843 1.304 0.877 355 HZ PHE 23 HZ PHE 23 7.009 3.342 -0.226 356 H GLY 24 H GLY 24 4.020 2.481 7.552 357 HA2 GLY 24 HA2 GLY 24 5.960 1.679 9.626 358 HA3 GLY 24 HA3 GLY 24 4.581 2.733 9.903 359 H TYR 25 H TYR 25 3.036 0.788 8.077 360 HA TYR 25 HA TYR 25 2.037 -0.828 10.244 361 HB2 TYR 25 HB2 TYR 25 0.954 0.237 7.900 362 HB3 TYR 25 HB3 TYR 25 0.963 -1.503 7.634 363 HD1 TYR 25 HD1 TYR 25 -0.554 1.242 9.447 364 HD2 TYR 25 HD2 TYR 25 -0.268 -2.995 9.197 365 HE1 TYR 25 HE1 TYR 25 -2.588 1.030 10.813 366 HE2 TYR 25 HE2 TYR 25 -2.302 -3.219 10.560 367 HH TYR 25 HH TYR 25 -4.470 -1.304 10.959 368 H THR 26 H THR 26 4.445 -1.181 7.929 369 HA THR 26 HA THR 26 4.201 -4.088 7.772 370 HB THR 26 HB THR 26 5.706 -2.033 6.247 371 HG1 THR 26 HG1 THR 26 4.332 -4.455 5.649 372 HG21 THR 26 HG21 THR 26 7.551 -3.382 7.030 373 HG22 THR 26 HG22 THR 26 7.236 -3.769 5.338 374 HG23 THR 26 HG23 THR 26 6.693 -4.863 6.610 375 H LEU 27 H LEU 27 6.693 -1.687 8.640 376 HA LEU 27 HA LEU 27 8.421 -3.611 9.823 377 HB2 LEU 27 HB2 LEU 27 9.624 -1.639 10.707 378 HB3 LEU 27 HB3 LEU 27 9.343 -1.580 8.968 379 HG LEU 27 HG LEU 27 7.293 -0.114 9.614 380 HD11 LEU 27 HD11 LEU 27 8.118 1.292 11.680 381 HD12 LEU 27 HD12 LEU 27 8.861 -0.241 12.138 382 HD13 LEU 27 HD13 LEU 27 7.117 -0.146 11.891 383 HD21 LEU 27 HD21 LEU 27 8.711 1.892 9.541 384 HD22 LEU 27 HD22 LEU 27 9.195 0.691 8.343 385 HD23 LEU 27 HD23 LEU 27 10.131 0.886 9.826 386 H ARG 28 H ARG 28 5.486 -2.576 10.820 387 HA ARG 28 HA ARG 28 5.694 -1.891 13.486 388 HB2 ARG 28 HB2 ARG 28 3.433 -2.631 13.745 389 HB3 ARG 28 HB3 ARG 28 3.591 -1.965 12.125 390 HG2 ARG 28 HG2 ARG 28 2.511 -3.838 11.532 391 HG3 ARG 28 HG3 ARG 28 4.119 -4.559 11.628 392 HD2 ARG 28 HD2 ARG 28 2.530 -5.937 12.820 393 HD3 ARG 28 HD3 ARG 28 3.662 -5.207 13.959 394 HE ARG 28 HE ARG 28 1.577 -3.481 13.958 395 HH11 ARG 28 HH11 ARG 28 1.844 -6.922 14.413 396 HH12 ARG 28 HH12 ARG 28 0.480 -7.020 15.477 397 HH21 ARG 28 HH21 ARG 28 -0.221 -3.596 15.357 398 HH22 ARG 28 HH22 ARG 28 -0.694 -5.127 16.013 Start of MODEL 9 1 H1 VAL 1 H VAL 1 2.901 -0.970 -5.168 2 HA VAL 1 HA VAL 1 1.858 0.084 -3.303 3 HB VAL 1 HB VAL 1 0.717 -2.052 -2.668 4 HG11 VAL 1 HG11 VAL 1 1.757 -3.604 -1.188 5 HG12 VAL 1 HG12 VAL 1 2.835 -3.390 -2.570 6 HG13 VAL 1 HG13 VAL 1 3.192 -2.590 -1.039 7 HG21 VAL 1 HG21 VAL 1 1.946 -0.816 -0.230 8 HG22 VAL 1 HG22 VAL 1 0.862 0.110 -1.268 9 HG23 VAL 1 HG23 VAL 1 0.289 -1.363 -0.485 10 H ALA 2 H ALA 2 4.746 -1.444 -3.877 11 HA ALA 2 HA ALA 2 6.054 -0.034 -1.641 12 HB1 ALA 2 HB1 ALA 2 6.251 -2.463 -1.419 13 HB2 ALA 2 HB2 ALA 2 6.997 -2.548 -3.016 14 HB3 ALA 2 HB3 ALA 2 7.820 -1.709 -1.701 15 H ARG 3 H ARG 3 5.939 1.789 -3.226 16 HA ARG 3 HA ARG 3 8.197 1.650 -5.117 17 HB2 ARG 3 HB2 ARG 3 6.199 3.758 -5.580 18 HB3 ARG 3 HB3 ARG 3 7.001 2.692 -6.726 19 HG2 ARG 3 HG2 ARG 3 5.467 0.887 -6.119 20 HG3 ARG 3 HG3 ARG 3 4.659 1.964 -4.979 21 HD2 ARG 3 HD2 ARG 3 4.940 2.883 -7.788 22 HD3 ARG 3 HD3 ARG 3 3.779 1.597 -7.461 23 HE ARG 3 HE ARG 3 3.525 4.361 -6.773 24 HH11 ARG 3 HH11 ARG 3 2.633 1.127 -5.842 25 HH12 ARG 3 HH12 ARG 3 1.194 1.622 -5.013 26 HH21 ARG 3 HH21 ARG 3 1.633 5.026 -5.687 27 HH22 ARG 3 HH22 ARG 3 0.627 3.840 -4.927 28 H GLY 4 H GLY 4 6.934 3.095 -2.333 29 HA2 GLY 4 HA2 GLY 4 8.215 5.657 -2.603 30 HA3 GLY 4 HA3 GLY 4 7.472 5.008 -1.148 31 H TRP 5 H TRP 5 9.324 2.554 -1.823 32 HA TRP 5 HA TRP 5 11.698 3.692 -0.497 33 HB2 TRP 5 HB2 TRP 5 10.216 1.127 -0.065 34 HB3 TRP 5 HB3 TRP 5 11.944 1.186 0.266 35 HD1 TRP 5 HD1 TRP 5 10.457 4.464 1.067 36 HE1 TRP 5 HE1 TRP 5 10.091 4.699 3.603 37 HE3 TRP 5 HE3 TRP 5 11.136 -0.413 2.439 38 HZ2 TRP 5 HZ2 TRP 5 10.089 3.036 5.885 39 HZ3 TRP 5 HZ3 TRP 5 10.935 -1.008 4.818 40 HH2 TRP 5 HH2 TRP 5 10.423 0.683 6.503 41 H LYS 6 H LYS 6 10.524 2.153 -3.257 42 HA LYS 6 HA LYS 6 13.236 1.281 -4.014 43 HB2 LYS 6 HB2 LYS 6 11.871 -0.645 -4.038 44 HB3 LYS 6 HB3 LYS 6 10.525 0.215 -4.775 45 HG2 LYS 6 HG2 LYS 6 12.909 0.250 -6.433 46 HG3 LYS 6 HG3 LYS 6 12.346 -1.384 -6.075 47 HD2 LYS 6 HD2 LYS 6 10.167 0.416 -6.750 48 HD3 LYS 6 HD3 LYS 6 11.365 0.300 -8.040 49 HE2 LYS 6 HE2 LYS 6 11.089 -2.030 -8.225 50 HE3 LYS 6 HE3 LYS 6 10.234 -2.133 -6.686 51 HZ1 LYS 6 HZ1 LYS 6 8.391 -2.067 -7.906 52 HZ2 LYS 6 HZ2 LYS 6 9.211 -1.579 -9.302 53 HZ3 LYS 6 HZ3 LYS 6 8.716 -0.427 -8.167 54 H ARG 7 H ARG 7 10.236 2.722 -5.259 55 HA ARG 7 HA ARG 7 11.476 3.578 -7.705 56 HB2 ARG 7 HB2 ARG 7 8.932 3.072 -7.098 57 HB3 ARG 7 HB3 ARG 7 8.930 4.797 -6.756 58 HG2 ARG 7 HG2 ARG 7 8.764 5.266 -8.911 59 HG3 ARG 7 HG3 ARG 7 10.215 4.327 -9.267 60 HD2 ARG 7 HD2 ARG 7 8.595 2.289 -9.023 61 HD3 ARG 7 HD3 ARG 7 7.348 3.496 -9.333 62 HE ARG 7 HE ARG 7 9.490 3.567 -11.240 63 HH11 ARG 7 HH11 ARG 7 6.481 2.034 -10.392 64 HH12 ARG 7 HH12 ARG 7 6.115 1.559 -12.016 65 HH21 ARG 7 HH21 ARG 7 9.018 2.947 -13.383 66 HH22 ARG 7 HH22 ARG 7 7.559 2.079 -13.718 67 H LYS 8 H LYS 8 10.294 5.225 -4.782 68 HA LYS 8 HA LYS 8 10.886 7.833 -5.434 69 HB2 LYS 8 HB2 LYS 8 10.415 6.330 -3.001 70 HB3 LYS 8 HB3 LYS 8 11.592 7.611 -2.738 71 HG2 LYS 8 HG2 LYS 8 9.340 8.374 -2.248 72 HG3 LYS 8 HG3 LYS 8 10.018 9.250 -3.622 73 HD2 LYS 8 HD2 LYS 8 8.652 6.906 -4.547 74 HD3 LYS 8 HD3 LYS 8 7.584 7.842 -3.499 75 HE2 LYS 8 HE2 LYS 8 7.409 9.522 -4.980 76 HE3 LYS 8 HE3 LYS 8 9.117 9.448 -5.412 77 HZ1 LYS 8 HZ1 LYS 8 7.455 8.852 -7.202 78 HZ2 LYS 8 HZ2 LYS 8 7.176 7.420 -6.345 79 HZ3 LYS 8 HZ3 LYS 8 8.720 7.755 -6.955 80 H CYS 9 H CYS 9 12.993 6.015 -3.221 81 HA CYS 9 HA CYS 9 15.307 7.261 -4.555 82 HB2 CYS 9 HB2 CYS 9 14.538 7.761 -2.002 83 HB3 CYS 9 HB3 CYS 9 15.621 6.398 -1.745 84 HG CYS 9 HG CYS 9 16.533 9.231 -3.430 85 HA PRO 10 HA PRO 10 16.388 3.019 -5.372 86 HB2 PRO 10 HB2 PRO 10 18.728 3.568 -6.636 87 HB3 PRO 10 HB3 PRO 10 17.150 3.769 -7.406 88 HG2 PRO 10 HG2 PRO 10 18.913 5.828 -6.136 89 HG3 PRO 10 HG3 PRO 10 17.997 5.920 -7.651 90 HD2 PRO 10 HD2 PRO 10 17.124 7.051 -5.351 91 HD3 PRO 10 HD3 PRO 10 16.017 6.394 -6.572 92 H LEU 11 H LEU 11 16.950 4.172 -2.753 93 HA LEU 11 HA LEU 11 19.648 3.103 -2.251 94 HB2 LEU 11 HB2 LEU 11 19.878 4.545 -0.455 95 HB3 LEU 11 HB3 LEU 11 19.027 5.523 -1.649 96 HG LEU 11 HG LEU 11 16.920 4.600 -0.286 97 HD11 LEU 11 HD11 LEU 11 17.286 4.197 1.949 98 HD12 LEU 11 HD12 LEU 11 18.859 4.994 1.948 99 HD13 LEU 11 HD13 LEU 11 18.680 3.399 1.217 100 HD21 LEU 11 HD21 LEU 11 16.696 6.789 -0.009 101 HD22 LEU 11 HD22 LEU 11 18.385 7.008 -0.466 102 HD23 LEU 11 HD23 LEU 11 17.951 6.785 1.230 103 H PHE 12 H PHE 12 16.271 2.875 -1.411 104 HA PHE 12 HA PHE 12 16.875 0.763 0.541 105 HB2 PHE 12 HB2 PHE 12 15.161 2.894 0.753 106 HB3 PHE 12 HB3 PHE 12 14.073 1.601 0.259 107 HD1 PHE 12 HD1 PHE 12 13.316 0.029 1.801 108 HD2 PHE 12 HD2 PHE 12 16.642 2.498 2.777 109 HE1 PHE 12 HE1 PHE 12 13.247 -0.799 4.118 110 HE2 PHE 12 HE2 PHE 12 16.580 1.673 5.095 111 HZ PHE 12 HZ PHE 12 14.881 0.022 5.766 112 H GLY 13 H GLY 13 15.708 1.308 -2.617 113 HA2 GLY 13 HA2 GLY 13 13.982 -0.943 -2.858 114 HA3 GLY 13 HA3 GLY 13 14.708 -0.047 -4.185 115 H LYS 14 H LYS 14 16.862 -0.614 -4.855 116 HA LYS 14 HA LYS 14 17.268 -3.440 -4.880 117 HB2 LYS 14 HB2 LYS 14 19.283 -1.415 -5.821 118 HB3 LYS 14 HB3 LYS 14 18.990 -3.036 -6.436 119 HG2 LYS 14 HG2 LYS 14 16.780 -2.257 -7.264 120 HG3 LYS 14 HG3 LYS 14 17.224 -0.621 -6.772 121 HD2 LYS 14 HD2 LYS 14 17.957 -0.491 -8.909 122 HD3 LYS 14 HD3 LYS 14 19.391 -1.262 -8.226 123 HE2 LYS 14 HE2 LYS 14 18.745 -3.388 -9.004 124 HE3 LYS 14 HE3 LYS 14 17.096 -2.855 -9.332 125 HZ1 LYS 14 HZ1 LYS 14 19.465 -2.625 -10.966 126 HZ2 LYS 14 HZ2 LYS 14 18.536 -1.213 -10.894 127 HZ3 LYS 14 HZ3 LYS 14 17.836 -2.661 -11.420 128 H GLY 15 H GLY 15 18.479 -0.812 -2.983 129 HA2 GLY 15 HA2 GLY 15 20.901 -1.963 -2.096 130 HA3 GLY 15 HA3 GLY 15 19.993 -0.714 -1.258 131 H GLY 16 H GLY 16 17.908 -1.605 -0.187 132 HA2 GLY 16 HA2 GLY 16 18.658 -3.359 1.849 133 HA3 GLY 16 HA3 GLY 16 17.001 -2.933 1.451 134 H1 LYS 1 H LYS 1 18.064 3.473 6.304 135 HA LYS 1 HA LYS 1 17.274 6.310 6.171 136 HB2 LYS 1 HB2 LYS 1 18.986 4.643 4.390 137 HB3 LYS 1 HB3 LYS 1 17.982 5.879 3.644 138 HG2 LYS 1 HG2 LYS 1 19.440 7.446 4.197 139 HG3 LYS 1 HG3 LYS 1 19.317 7.004 5.901 140 HD2 LYS 1 HD2 LYS 1 20.961 5.170 5.458 141 HD3 LYS 1 HD3 LYS 1 21.169 5.827 3.832 142 HE2 LYS 1 HE2 LYS 1 21.823 7.995 4.865 143 HE3 LYS 1 HE3 LYS 1 21.757 7.214 6.445 144 HZ1 LYS 1 HZ1 LYS 1 23.760 7.010 4.364 145 HZ2 LYS 1 HZ2 LYS 1 23.344 5.541 5.094 146 HZ3 LYS 1 HZ3 LYS 1 23.913 6.824 6.039 147 H TYR 2 H TYR 2 15.115 5.398 6.698 148 HA TYR 2 HA TYR 2 13.793 4.386 4.267 149 HB2 TYR 2 HB2 TYR 2 12.077 3.691 6.275 150 HB3 TYR 2 HB3 TYR 2 13.275 2.615 5.566 151 HD1 TYR 2 HD1 TYR 2 15.229 1.951 6.796 152 HD2 TYR 2 HD2 TYR 2 12.496 4.759 8.452 153 HE1 TYR 2 HE1 TYR 2 16.300 1.686 8.995 154 HE2 TYR 2 HE2 TYR 2 13.560 4.504 10.655 155 HH TYR 2 HH TYR 2 15.998 3.764 11.448 156 H GLU 3 H GLU 3 13.285 6.257 7.249 157 HA GLU 3 HA GLU 3 10.818 7.364 6.657 158 HB2 GLU 3 HB2 GLU 3 11.532 9.259 8.142 159 HB3 GLU 3 HB3 GLU 3 11.735 7.658 8.840 160 HG2 GLU 3 HG2 GLU 3 14.136 7.757 8.139 161 HG3 GLU 3 HG3 GLU 3 13.868 9.443 7.701 162 H ILE 4 H ILE 4 14.044 8.618 5.854 163 HA ILE 4 HA ILE 4 13.126 10.939 4.525 164 HB ILE 4 HB ILE 4 15.329 11.304 3.842 165 HG12 ILE 4 HG12 ILE 4 15.634 9.202 2.607 166 HG13 ILE 4 HG13 ILE 4 17.024 9.542 3.631 167 HG21 ILE 4 HG21 ILE 4 15.648 9.555 6.274 168 HG22 ILE 4 HG22 ILE 4 16.673 10.902 5.783 169 HG23 ILE 4 HG23 ILE 4 15.017 11.201 6.309 170 HD11 ILE 4 HD11 ILE 4 16.465 7.201 3.727 171 HD12 ILE 4 HD12 ILE 4 16.159 7.956 5.292 172 HD13 ILE 4 HD13 ILE 4 14.814 7.588 4.214 173 H THR 5 H THR 5 12.853 7.728 3.675 174 HA THR 5 HA THR 5 12.946 8.246 0.793 175 HB THR 5 HB THR 5 12.263 5.543 1.824 176 HG1 THR 5 HG1 THR 5 13.967 6.136 3.204 177 HG21 THR 5 HG21 THR 5 13.688 6.762 -0.491 178 HG22 THR 5 HG22 THR 5 12.464 5.492 -0.460 179 HG23 THR 5 HG23 THR 5 14.128 5.126 -0.004 180 H THR 6 H THR 6 10.743 7.636 3.404 181 HA THR 6 HA THR 6 8.504 7.452 1.504 182 HB THR 6 HB THR 6 8.482 5.566 2.966 183 HG1 THR 6 HG1 THR 6 6.484 7.052 2.715 184 HG21 THR 6 HG21 THR 6 9.864 6.143 4.768 185 HG22 THR 6 HG22 THR 6 8.261 6.004 5.491 186 HG23 THR 6 HG23 THR 6 8.933 7.595 5.134 187 H ILE 7 H ILE 7 10.100 9.659 3.349 188 HA ILE 7 HA ILE 7 7.671 11.183 4.001 189 HB ILE 7 HB ILE 7 10.499 11.443 5.020 190 HG12 ILE 7 HG12 ILE 7 7.889 10.857 6.436 191 HG13 ILE 7 HG13 ILE 7 9.105 9.656 6.016 192 HG21 ILE 7 HG21 ILE 7 9.580 13.270 6.456 193 HG22 ILE 7 HG22 ILE 7 9.689 13.671 4.743 194 HG23 ILE 7 HG23 ILE 7 8.130 13.251 5.454 195 HD11 ILE 7 HD11 ILE 7 9.253 11.844 8.052 196 HD12 ILE 7 HD12 ILE 7 9.485 10.108 8.263 197 HD13 ILE 7 HD13 ILE 7 10.706 11.063 7.425 198 H HIS 8 H HIS 8 10.594 11.204 2.106 199 HA HIS 8 HA HIS 8 10.654 13.926 1.403 200 HB2 HIS 8 HB2 HIS 8 12.458 12.155 1.025 201 HB3 HIS 8 HB3 HIS 8 11.543 11.681 -0.403 202 HD1 HIS 8 HD1 HIS 8 13.443 14.628 1.004 203 HD2 HIS 8 HD2 HIS 8 11.943 13.251 -2.618 204 HE1 HIS 8 HE1 HIS 8 14.364 16.186 -0.740 205 H ASN 9 H ASN 9 8.907 11.182 0.068 206 HA ASN 9 HA ASN 9 7.679 12.945 -1.935 207 HB2 ASN 9 HB2 ASN 9 7.310 11.103 -3.277 208 HB3 ASN 9 HB3 ASN 9 8.786 10.609 -2.451 209 HD21 ASN 9 HD21 ASN 9 5.592 9.829 -3.156 210 HD22 ASN 9 HD22 ASN 9 5.427 8.470 -2.102 211 H LEU 10 H LEU 10 7.075 12.524 1.059 212 HA LEU 10 HA LEU 10 4.193 12.007 0.732 213 HB2 LEU 10 HB2 LEU 10 4.721 10.334 2.167 214 HB3 LEU 10 HB3 LEU 10 6.133 11.175 2.800 215 HG LEU 10 HG LEU 10 4.528 12.648 4.081 216 HD11 LEU 10 HD11 LEU 10 2.564 10.480 3.359 217 HD12 LEU 10 HD12 LEU 10 2.540 12.122 2.717 218 HD13 LEU 10 HD13 LEU 10 2.284 11.845 4.440 219 HD21 LEU 10 HD21 LEU 10 5.508 10.045 4.611 220 HD22 LEU 10 HD22 LEU 10 3.890 10.159 5.305 221 HD23 LEU 10 HD23 LEU 10 5.130 11.329 5.759 222 H PHE 11 H PHE 11 6.664 14.059 2.114 223 HA PHE 11 HA PHE 11 5.114 15.693 3.748 224 HB2 PHE 11 HB2 PHE 11 7.753 15.769 2.581 225 HB3 PHE 11 HB3 PHE 11 7.024 17.371 2.548 226 HD1 PHE 11 HD1 PHE 11 6.539 14.704 5.077 227 HD2 PHE 11 HD2 PHE 11 8.228 18.508 4.189 228 HE1 PHE 11 HE1 PHE 11 7.104 15.004 7.453 229 HE2 PHE 11 HE2 PHE 11 8.797 18.814 6.564 230 HZ PHE 11 HZ PHE 11 8.236 17.060 8.199 231 H ARG 12 H ARG 12 5.016 15.329 0.381 232 HA ARG 12 HA ARG 12 4.495 17.683 -0.785 233 HB2 ARG 12 HB2 ARG 12 3.258 15.001 -1.064 234 HB3 ARG 12 HB3 ARG 12 2.410 16.341 -1.825 235 HG2 ARG 12 HG2 ARG 12 4.280 16.859 -3.193 236 HG3 ARG 12 HG3 ARG 12 5.321 15.755 -2.292 237 HD2 ARG 12 HD2 ARG 12 4.710 14.040 -3.567 238 HD3 ARG 12 HD3 ARG 12 3.001 14.371 -3.279 239 HE ARG 12 HE ARG 12 3.946 16.216 -5.154 240 HH11 ARG 12 HH11 ARG 12 3.357 12.796 -4.870 241 HH12 ARG 12 HH12 ARG 12 3.036 12.580 -6.559 242 HH21 ARG 12 HH21 ARG 12 3.527 15.942 -7.379 243 HH22 ARG 12 HH22 ARG 12 3.134 14.369 -7.985 244 H LYS 13 H LYS 13 1.705 15.872 0.476 245 HA LYS 13 HA LYS 13 0.575 18.434 1.397 246 HB2 LYS 13 HB2 LYS 13 -0.598 16.251 -0.227 247 HB3 LYS 13 HB3 LYS 13 -1.640 16.943 1.009 248 HG2 LYS 13 HG2 LYS 13 -1.192 19.189 0.046 249 HG3 LYS 13 HG3 LYS 13 -0.301 18.401 -1.258 250 HD2 LYS 13 HD2 LYS 13 -2.531 17.001 -1.465 251 HD3 LYS 13 HD3 LYS 13 -3.225 18.429 -0.693 252 HE2 LYS 13 HE2 LYS 13 -3.423 19.054 -2.876 253 HE3 LYS 13 HE3 LYS 13 -1.804 19.670 -2.551 254 HZ1 LYS 13 HZ1 LYS 13 -0.826 17.912 -3.683 255 HZ2 LYS 13 HZ2 LYS 13 -2.160 18.292 -4.649 256 HZ3 LYS 13 HZ3 LYS 13 -2.215 16.949 -3.622 257 H LEU 14 H LEU 14 1.521 15.285 2.220 258 HA LEU 14 HA LEU 14 0.044 15.450 4.765 259 HB2 LEU 14 HB2 LEU 14 0.848 13.123 3.070 260 HB3 LEU 14 HB3 LEU 14 0.639 12.913 4.807 261 HG LEU 14 HG LEU 14 -1.481 13.848 2.872 262 HD11 LEU 14 HD11 LEU 14 -1.805 11.354 4.394 263 HD12 LEU 14 HD12 LEU 14 -0.571 11.320 3.135 264 HD13 LEU 14 HD13 LEU 14 -2.235 11.736 2.726 265 HD21 LEU 14 HD21 LEU 14 -2.520 14.656 4.660 266 HD22 LEU 14 HD22 LEU 14 -1.253 14.057 5.732 267 HD23 LEU 14 HD23 LEU 14 -2.606 13.012 5.293 268 H THR 15 H THR 15 1.345 16.188 6.306 269 HA THR 15 HA THR 15 4.079 16.378 6.304 270 HB THR 15 HB THR 15 3.211 17.573 8.046 271 HG1 THR 15 HG1 THR 15 4.045 16.706 9.889 272 HG21 THR 15 HG21 THR 15 1.010 17.085 8.307 273 HG22 THR 15 HG22 THR 15 1.603 16.201 9.713 274 HG23 THR 15 HG23 THR 15 1.275 15.345 8.207 275 H HIS 16 H HIS 16 2.655 14.157 8.652 276 HA HIS 16 HA HIS 16 4.574 12.096 7.787 277 HB2 HIS 16 HB2 HIS 16 4.518 11.480 10.335 278 HB3 HIS 16 HB3 HIS 16 5.570 12.772 9.765 279 HD1 HIS 16 HD1 HIS 16 1.857 12.996 10.518 280 HD2 HIS 16 HD2 HIS 16 5.489 14.494 11.870 281 HE1 HIS 16 HE1 HIS 16 1.269 14.723 12.249 282 H ARG 17 H ARG 17 2.831 11.166 6.579 283 HA ARG 17 HA ARG 17 0.877 9.755 8.276 284 HB2 ARG 17 HB2 ARG 17 0.562 11.110 5.631 285 HB3 ARG 17 HB3 ARG 17 -0.418 9.690 5.975 286 HG2 ARG 17 HG2 ARG 17 -1.617 11.728 6.514 287 HG3 ARG 17 HG3 ARG 17 -1.304 10.782 7.971 288 HD2 ARG 17 HD2 ARG 17 0.347 12.252 8.715 289 HD3 ARG 17 HD3 ARG 17 0.561 12.966 7.117 290 HE ARG 17 HE ARG 17 -1.085 14.454 7.631 291 HH11 ARG 17 HH11 ARG 17 -1.413 11.679 9.709 292 HH12 ARG 17 HH12 ARG 17 -2.698 12.369 10.645 293 HH21 ARG 17 HH21 ARG 17 -2.777 15.372 8.856 294 HH22 ARG 17 HH22 ARG 17 -3.473 14.469 10.159 295 H LEU 18 H LEU 18 1.925 9.462 4.885 296 HA LEU 18 HA LEU 18 1.754 6.678 4.793 297 HB2 LEU 18 HB2 LEU 18 3.541 8.473 3.158 298 HB3 LEU 18 HB3 LEU 18 3.076 6.823 2.750 299 HG LEU 18 HG LEU 18 1.043 9.018 3.046 300 HD11 LEU 18 HD11 LEU 18 1.976 10.008 1.274 301 HD12 LEU 18 HD12 LEU 18 1.337 8.648 0.352 302 HD13 LEU 18 HD13 LEU 18 3.006 8.622 0.921 303 HD21 LEU 18 HD21 LEU 18 0.078 6.852 3.075 304 HD22 LEU 18 HD22 LEU 18 1.090 6.307 1.737 305 HD23 LEU 18 HD23 LEU 18 -0.181 7.499 1.456 306 H PHE 19 H PHE 19 3.923 8.555 6.492 307 HA PHE 19 HA PHE 19 6.324 7.097 6.202 308 HB2 PHE 19 HB2 PHE 19 6.430 9.280 7.172 309 HB3 PHE 19 HB3 PHE 19 5.277 8.846 8.429 310 HD1 PHE 19 HD1 PHE 19 6.513 9.265 10.370 311 HD2 PHE 19 HD2 PHE 19 8.184 6.861 7.279 312 HE1 PHE 19 HE1 PHE 19 8.371 8.647 11.859 313 HE2 PHE 19 HE2 PHE 19 10.043 6.238 8.764 314 HZ PHE 19 HZ PHE 19 10.139 7.131 11.057 315 H ARG 20 H ARG 20 3.783 6.945 8.694 316 HA ARG 20 HA ARG 20 4.784 4.271 9.419 317 HB2 ARG 20 HB2 ARG 20 3.410 6.371 11.094 318 HB3 ARG 20 HB3 ARG 20 3.604 4.705 11.621 319 HG2 ARG 20 HG2 ARG 20 5.801 4.954 12.059 320 HG3 ARG 20 HG3 ARG 20 6.054 6.065 10.710 321 HD2 ARG 20 HD2 ARG 20 6.381 7.234 12.798 322 HD3 ARG 20 HD3 ARG 20 4.932 7.841 11.998 323 HE ARG 20 HE ARG 20 3.676 7.057 13.747 324 HH11 ARG 20 HH11 ARG 20 6.851 5.633 13.884 325 HH12 ARG 20 HH12 ARG 20 6.604 4.915 15.441 326 HH21 ARG 20 HH21 ARG 20 3.340 6.116 15.798 327 HH22 ARG 20 HH22 ARG 20 4.607 5.189 16.527 328 H ARG 21 H ARG 21 2.232 5.990 8.039 329 HA ARG 21 HA ARG 21 0.187 4.047 8.755 330 HB2 ARG 21 HB2 ARG 21 -0.008 6.418 6.889 331 HB3 ARG 21 HB3 ARG 21 -1.347 5.481 7.541 332 HG2 ARG 21 HG2 ARG 21 0.567 7.063 9.238 333 HG3 ARG 21 HG3 ARG 21 -0.974 7.684 8.642 334 HD2 ARG 21 HD2 ARG 21 -1.459 5.155 9.822 335 HD3 ARG 21 HD3 ARG 21 -0.460 6.083 10.940 336 HE ARG 21 HE ARG 21 -3.203 6.543 10.307 337 HH11 ARG 21 HH11 ARG 21 -0.236 8.113 11.230 338 HH12 ARG 21 HH12 ARG 21 -1.029 9.458 11.979 339 HH21 ARG 21 HH21 ARG 21 -4.259 8.310 11.291 340 HH22 ARG 21 HH22 ARG 21 -3.317 9.569 12.014 341 H ASN 22 H ASN 22 2.501 4.554 6.312 342 HA ASN 22 HA ASN 22 1.146 2.587 4.587 343 HB2 ASN 22 HB2 ASN 22 1.508 5.028 3.730 344 HB3 ASN 22 HB3 ASN 22 3.180 4.517 3.517 345 HD21 ASN 22 HD21 ASN 22 3.248 4.530 1.333 346 HD22 ASN 22 HD22 ASN 22 2.306 3.485 0.330 347 H PHE 23 H PHE 23 4.305 3.841 5.618 348 HA PHE 23 HA PHE 23 5.498 1.242 4.941 349 HB2 PHE 23 HB2 PHE 23 6.697 3.984 5.303 350 HB3 PHE 23 HB3 PHE 23 7.685 2.528 5.252 351 HD1 PHE 23 HD1 PHE 23 8.072 1.359 3.204 352 HD2 PHE 23 HD2 PHE 23 5.470 4.726 3.322 353 HE1 PHE 23 HE1 PHE 23 8.096 1.459 0.746 354 HE2 PHE 23 HE2 PHE 23 5.489 4.831 0.864 355 HZ PHE 23 HZ PHE 23 6.802 3.196 -0.427 356 H GLY 24 H GLY 24 3.953 2.250 7.431 357 HA2 GLY 24 HA2 GLY 24 5.995 1.769 9.479 358 HA3 GLY 24 HA3 GLY 24 4.370 2.378 9.763 359 H TYR 25 H TYR 25 3.403 0.166 7.881 360 HA TYR 25 HA TYR 25 2.945 -1.763 9.974 361 HB2 TYR 25 HB2 TYR 25 1.669 -1.001 7.519 362 HB3 TYR 25 HB3 TYR 25 1.942 -2.739 7.516 363 HD1 TYR 25 HD1 TYR 25 0.497 0.003 9.577 364 HD2 TYR 25 HD2 TYR 25 0.499 -4.158 8.681 365 HE1 TYR 25 HE1 TYR 25 -1.473 -0.303 11.018 366 HE2 TYR 25 HE2 TYR 25 -1.470 -4.474 10.120 367 HH TYR 25 HH TYR 25 -2.487 -3.220 12.150 368 H THR 26 H THR 26 5.435 -1.296 7.897 369 HA THR 26 HA THR 26 5.970 -4.172 7.571 370 HB THR 26 HB THR 26 6.683 -1.791 5.942 371 HG1 THR 26 HG1 THR 26 6.501 -3.614 4.336 372 HG21 THR 26 HG21 THR 26 8.892 -2.535 6.577 373 HG22 THR 26 HG22 THR 26 8.579 -3.020 4.910 374 HG23 THR 26 HG23 THR 26 8.472 -4.208 6.209 375 H LEU 27 H LEU 27 7.688 -1.115 8.234 376 HA LEU 27 HA LEU 27 9.988 -2.412 9.296 377 HB2 LEU 27 HB2 LEU 27 10.844 -0.296 9.671 378 HB3 LEU 27 HB3 LEU 27 9.763 -0.052 8.301 379 HG LEU 27 HG LEU 27 8.088 0.561 10.312 380 HD11 LEU 27 HD11 LEU 27 10.148 2.120 11.486 381 HD12 LEU 27 HD12 LEU 27 10.629 0.425 11.559 382 HD13 LEU 27 HD13 LEU 27 9.088 0.936 12.251 383 HD21 LEU 27 HD21 LEU 27 8.164 2.649 9.450 384 HD22 LEU 27 HD22 LEU 27 9.165 1.862 8.230 385 HD23 LEU 27 HD23 LEU 27 9.922 2.749 9.553 386 H ARG 28 H ARG 28 6.960 -2.263 10.506 387 HA ARG 28 HA ARG 28 7.230 -1.484 13.169 388 HB2 ARG 28 HB2 ARG 28 5.164 -2.339 11.680 389 HB3 ARG 28 HB3 ARG 28 5.481 -3.810 12.591 390 HG2 ARG 28 HG2 ARG 28 4.865 -2.875 14.586 391 HG3 ARG 28 HG3 ARG 28 5.274 -1.239 14.069 392 HD2 ARG 28 HD2 ARG 28 3.246 -2.025 12.343 393 HD3 ARG 28 HD3 ARG 28 2.754 -2.657 13.913 394 HE ARG 28 HE ARG 28 3.601 0.028 14.160 395 HH11 ARG 28 HH11 ARG 28 0.968 -1.910 12.964 396 HH12 ARG 28 HH12 ARG 28 -0.220 -0.670 13.189 397 HH21 ARG 28 HH21 ARG 28 2.046 1.671 14.461 398 HH22 ARG 28 HH22 ARG 28 0.395 1.368 14.039 Start of MODEL 10 1 H1 VAL 1 H VAL 1 -1.529 6.470 -1.215 2 HA VAL 1 HA VAL 1 -0.816 5.622 -3.241 3 HB VAL 1 HB VAL 1 0.782 6.956 -4.657 4 HG11 VAL 1 HG11 VAL 1 -1.254 8.926 -4.485 5 HG12 VAL 1 HG12 VAL 1 -1.094 7.608 -5.647 6 HG13 VAL 1 HG13 VAL 1 -1.980 7.356 -4.142 7 HG21 VAL 1 HG21 VAL 1 1.330 8.317 -2.380 8 HG22 VAL 1 HG22 VAL 1 1.657 8.925 -4.003 9 HG23 VAL 1 HG23 VAL 1 0.189 9.414 -3.158 10 H ALA 2 H ALA 2 1.007 4.408 -3.927 11 HA ALA 2 HA ALA 2 3.188 4.343 -1.944 12 HB1 ALA 2 HB1 ALA 2 3.414 1.926 -2.607 13 HB2 ALA 2 HB2 ALA 2 1.933 2.341 -1.743 14 HB3 ALA 2 HB3 ALA 2 1.899 2.106 -3.491 15 H ARG 3 H ARG 3 3.977 6.082 -3.535 16 HA ARG 3 HA ARG 3 5.506 4.767 -5.684 17 HB2 ARG 3 HB2 ARG 3 5.160 7.655 -5.970 18 HB3 ARG 3 HB3 ARG 3 4.943 6.373 -7.153 19 HG2 ARG 3 HG2 ARG 3 2.724 5.907 -6.253 20 HG3 ARG 3 HG3 ARG 3 2.942 7.184 -5.054 21 HD2 ARG 3 HD2 ARG 3 2.604 8.840 -6.561 22 HD3 ARG 3 HD3 ARG 3 3.381 7.951 -7.871 23 HE ARG 3 HE ARG 3 0.603 8.071 -7.322 24 HH11 ARG 3 HH11 ARG 3 3.100 5.912 -8.427 25 HH12 ARG 3 HH12 ARG 3 2.021 4.934 -9.365 26 HH21 ARG 3 HH21 ARG 3 -0.828 6.792 -8.554 27 HH22 ARG 3 HH22 ARG 3 -0.213 5.436 -9.437 28 H GLY 4 H GLY 4 5.669 6.357 -2.745 29 HA2 GLY 4 HA2 GLY 4 8.222 7.663 -3.227 30 HA3 GLY 4 HA3 GLY 4 7.332 7.637 -1.712 31 H TRP 5 H TRP 5 7.229 4.545 -2.502 32 HA TRP 5 HA TRP 5 9.865 3.929 -1.336 33 HB2 TRP 5 HB2 TRP 5 7.160 3.155 -0.463 34 HB3 TRP 5 HB3 TRP 5 8.314 1.826 -0.537 35 HD1 TRP 5 HD1 TRP 5 9.255 5.404 0.535 36 HE1 TRP 5 HE1 TRP 5 10.064 5.328 2.977 37 HE3 TRP 5 HE3 TRP 5 8.225 0.506 1.580 38 HZ2 TRP 5 HZ2 TRP 5 10.243 3.441 5.068 39 HZ3 TRP 5 HZ3 TRP 5 8.746 -0.356 3.825 40 HH2 TRP 5 HH2 TRP 5 9.734 1.084 5.532 41 H LYS 6 H LYS 6 7.298 2.976 -3.522 42 HA LYS 6 HA LYS 6 8.542 0.546 -4.373 43 HB2 LYS 6 HB2 LYS 6 6.111 2.037 -4.976 44 HB3 LYS 6 HB3 LYS 6 6.830 1.321 -6.413 45 HG2 LYS 6 HG2 LYS 6 5.889 -0.073 -3.925 46 HG3 LYS 6 HG3 LYS 6 5.283 -0.250 -5.573 47 HD2 LYS 6 HD2 LYS 6 7.962 -0.859 -5.811 48 HD3 LYS 6 HD3 LYS 6 7.525 -1.560 -4.253 49 HE2 LYS 6 HE2 LYS 6 5.644 -2.018 -6.488 50 HE3 LYS 6 HE3 LYS 6 7.202 -2.837 -6.591 51 HZ1 LYS 6 HZ1 LYS 6 6.560 -3.386 -4.086 52 HZ2 LYS 6 HZ2 LYS 6 6.100 -4.371 -5.381 53 HZ3 LYS 6 HZ3 LYS 6 5.002 -3.260 -4.733 54 H ARG 7 H ARG 7 8.099 3.718 -5.943 55 HA ARG 7 HA ARG 7 9.723 3.132 -8.175 56 HB2 ARG 7 HB2 ARG 7 8.054 4.956 -8.125 57 HB3 ARG 7 HB3 ARG 7 9.063 5.830 -6.982 58 HG2 ARG 7 HG2 ARG 7 9.383 6.748 -9.170 59 HG3 ARG 7 HG3 ARG 7 10.855 5.905 -8.684 60 HD2 ARG 7 HD2 ARG 7 9.358 3.957 -9.958 61 HD3 ARG 7 HD3 ARG 7 9.074 5.405 -10.922 62 HE ARG 7 HE ARG 7 11.828 5.147 -10.390 63 HH11 ARG 7 HH11 ARG 7 9.286 3.692 -12.271 64 HH12 ARG 7 HH12 ARG 7 10.350 3.138 -13.521 65 HH21 ARG 7 HH21 ARG 7 13.240 4.423 -12.029 66 HH22 ARG 7 HH22 ARG 7 12.599 3.554 -13.383 67 H LYS 8 H LYS 8 10.472 3.977 -4.940 68 HA LYS 8 HA LYS 8 13.071 5.080 -5.472 69 HB2 LYS 8 HB2 LYS 8 11.411 4.527 -3.112 70 HB3 LYS 8 HB3 LYS 8 13.136 4.318 -2.842 71 HG2 LYS 8 HG2 LYS 8 12.587 6.547 -2.250 72 HG3 LYS 8 HG3 LYS 8 13.474 6.614 -3.775 73 HD2 LYS 8 HD2 LYS 8 11.518 7.049 -5.012 74 HD3 LYS 8 HD3 LYS 8 10.470 6.567 -3.676 75 HE2 LYS 8 HE2 LYS 8 10.326 8.857 -3.549 76 HE3 LYS 8 HE3 LYS 8 11.652 8.540 -2.431 77 HZ1 LYS 8 HZ1 LYS 8 13.186 8.975 -4.324 78 HZ2 LYS 8 HZ2 LYS 8 12.294 10.325 -3.831 79 HZ3 LYS 8 HZ3 LYS 8 11.855 9.488 -5.234 80 H CYS 9 H CYS 9 13.894 3.368 -6.836 81 HA CYS 9 HA CYS 9 14.294 0.736 -5.811 82 HB2 CYS 9 HB2 CYS 9 14.777 2.152 -8.289 83 HB3 CYS 9 HB3 CYS 9 16.165 1.161 -7.855 84 HG CYS 9 HG CYS 9 13.711 -0.802 -7.338 85 HA PRO 10 HA PRO 10 18.870 2.164 -5.245 86 HB2 PRO 10 HB2 PRO 10 19.400 4.811 -5.532 87 HB3 PRO 10 HB3 PRO 10 19.461 3.668 -6.879 88 HG2 PRO 10 HG2 PRO 10 17.280 5.566 -6.102 89 HG3 PRO 10 HG3 PRO 10 17.921 5.198 -7.714 90 HD2 PRO 10 HD2 PRO 10 15.616 4.125 -6.782 91 HD3 PRO 10 HD3 PRO 10 16.691 3.257 -7.896 92 H LEU 11 H LEU 11 16.099 3.621 -3.996 93 HA LEU 11 HA LEU 11 17.511 4.601 -1.613 94 HB2 LEU 11 HB2 LEU 11 14.869 5.233 -2.852 95 HB3 LEU 11 HB3 LEU 11 15.111 5.505 -1.127 96 HG LEU 11 HG LEU 11 16.620 6.802 -3.394 97 HD11 LEU 11 HD11 LEU 11 14.780 8.099 -3.315 98 HD12 LEU 11 HD12 LEU 11 15.588 8.798 -1.913 99 HD13 LEU 11 HD13 LEU 11 14.342 7.570 -1.691 100 HD21 LEU 11 HD21 LEU 11 17.023 6.927 -0.414 101 HD22 LEU 11 HD22 LEU 11 17.645 8.146 -1.526 102 HD23 LEU 11 HD23 LEU 11 18.195 6.475 -1.652 103 H PHE 12 H PHE 12 14.432 2.964 -2.375 104 HA PHE 12 HA PHE 12 14.470 1.675 0.230 105 HB2 PHE 12 HB2 PHE 12 12.328 2.479 -0.356 106 HB3 PHE 12 HB3 PHE 12 12.441 1.832 -1.989 107 HD1 PHE 12 HD1 PHE 12 11.734 1.070 1.509 108 HD2 PHE 12 HD2 PHE 12 12.029 -0.512 -2.431 109 HE1 PHE 12 HE1 PHE 12 10.547 -0.957 2.238 110 HE2 PHE 12 HE2 PHE 12 10.842 -2.542 -1.709 111 HZ PHE 12 HZ PHE 12 10.098 -2.766 0.628 112 H GLY 13 H GLY 13 14.592 0.787 -3.195 113 HA2 GLY 13 HA2 GLY 13 14.582 -2.005 -2.851 114 HA3 GLY 13 HA3 GLY 13 15.234 -1.151 -4.242 115 H LYS 14 H LYS 14 17.410 -0.903 -4.454 116 HA LYS 14 HA LYS 14 19.072 -2.601 -2.855 117 HB2 LYS 14 HB2 LYS 14 20.137 -0.587 -4.807 118 HB3 LYS 14 HB3 LYS 14 20.763 -2.182 -4.413 119 HG2 LYS 14 HG2 LYS 14 18.739 -3.156 -5.511 120 HG3 LYS 14 HG3 LYS 14 18.329 -1.527 -6.053 121 HD2 LYS 14 HD2 LYS 14 19.708 -1.741 -7.782 122 HD3 LYS 14 HD3 LYS 14 21.060 -2.027 -6.685 123 HE2 LYS 14 HE2 LYS 14 20.467 -4.412 -6.605 124 HE3 LYS 14 HE3 LYS 14 19.145 -4.111 -7.733 125 HZ1 LYS 14 HZ1 LYS 14 21.191 -4.986 -8.785 126 HZ2 LYS 14 HZ2 LYS 14 21.999 -3.569 -8.341 127 HZ3 LYS 14 HZ3 LYS 14 20.696 -3.497 -9.418 128 H GLY 15 H GLY 15 18.089 0.652 -2.652 129 HA2 GLY 15 HA2 GLY 15 20.282 1.967 -1.590 130 HA3 GLY 15 HA3 GLY 15 18.615 2.310 -1.154 131 H GLY 16 H GLY 16 18.280 -0.472 -0.112 132 HA2 GLY 16 HA2 GLY 16 18.865 0.061 2.591 133 HA3 GLY 16 HA3 GLY 16 18.371 -1.495 1.939 134 H1 LYS 1 H LYS 1 17.305 0.773 4.074 135 HA LYS 1 HA LYS 1 17.142 3.563 4.980 136 HB2 LYS 1 HB2 LYS 1 17.640 2.311 2.292 137 HB3 LYS 1 HB3 LYS 1 17.131 3.988 2.432 138 HG2 LYS 1 HG2 LYS 1 19.192 3.918 4.194 139 HG3 LYS 1 HG3 LYS 1 19.728 2.750 2.983 140 HD2 LYS 1 HD2 LYS 1 18.705 4.903 1.527 141 HD3 LYS 1 HD3 LYS 1 19.629 5.631 2.842 142 HE2 LYS 1 HE2 LYS 1 21.310 3.654 2.050 143 HE3 LYS 1 HE3 LYS 1 20.538 4.071 0.522 144 HZ1 LYS 1 HZ1 LYS 1 22.217 5.742 2.268 145 HZ2 LYS 1 HZ2 LYS 1 21.081 6.476 1.254 146 HZ3 LYS 1 HZ3 LYS 1 22.307 5.517 0.594 147 H TYR 2 H TYR 2 15.066 3.550 5.837 148 HA TYR 2 HA TYR 2 12.903 3.119 3.883 149 HB2 TYR 2 HB2 TYR 2 11.686 3.026 6.358 150 HB3 TYR 2 HB3 TYR 2 12.120 1.632 5.375 151 HD1 TYR 2 HD1 TYR 2 14.212 0.390 5.848 152 HD2 TYR 2 HD2 TYR 2 12.857 3.532 8.377 153 HE1 TYR 2 HE1 TYR 2 15.718 -0.400 7.625 154 HE2 TYR 2 HE2 TYR 2 14.359 2.752 10.162 155 HH TYR 2 HH TYR 2 15.453 0.279 10.694 156 H GLU 3 H GLU 3 13.517 4.861 6.939 157 HA GLU 3 HA GLU 3 11.569 6.812 6.645 158 HB2 GLU 3 HB2 GLU 3 12.952 8.178 8.195 159 HB3 GLU 3 HB3 GLU 3 12.716 6.524 8.743 160 HG2 GLU 3 HG2 GLU 3 15.029 6.257 7.383 161 HG3 GLU 3 HG3 GLU 3 15.172 7.923 7.943 162 H ILE 4 H ILE 4 14.933 6.830 5.533 163 HA ILE 4 HA ILE 4 14.849 9.459 4.461 164 HB ILE 4 HB ILE 4 16.966 8.354 5.030 165 HG12 ILE 4 HG12 ILE 4 18.226 9.209 3.216 166 HG13 ILE 4 HG13 ILE 4 16.948 8.860 2.059 167 HG21 ILE 4 HG21 ILE 4 17.764 6.451 4.044 168 HG22 ILE 4 HG22 ILE 4 16.034 6.121 3.993 169 HG23 ILE 4 HG23 ILE 4 16.860 6.711 2.552 170 HD11 ILE 4 HD11 ILE 4 16.814 10.944 4.225 171 HD12 ILE 4 HD12 ILE 4 17.152 11.248 2.520 172 HD13 ILE 4 HD13 ILE 4 15.579 10.618 3.009 173 H THR 5 H THR 5 13.338 6.664 3.478 174 HA THR 5 HA THR 5 13.452 7.291 0.625 175 HB THR 5 HB THR 5 12.002 5.003 1.965 176 HG1 THR 5 HG1 THR 5 14.312 4.960 2.298 177 HG21 THR 5 HG21 THR 5 11.709 5.943 -0.573 178 HG22 THR 5 HG22 THR 5 11.451 4.265 -0.091 179 HG23 THR 5 HG23 THR 5 12.994 4.756 -0.789 180 H THR 6 H THR 6 11.241 7.302 3.346 181 HA THR 6 HA THR 6 9.023 8.142 1.640 182 HB THR 6 HB THR 6 8.109 8.241 4.253 183 HG1 THR 6 HG1 THR 6 8.905 5.923 4.782 184 HG21 THR 6 HG21 THR 6 7.690 5.618 3.220 185 HG22 THR 6 HG22 THR 6 7.654 6.760 1.877 186 HG23 THR 6 HG23 THR 6 6.572 6.980 3.252 187 H ILE 7 H ILE 7 11.097 9.348 4.219 188 HA ILE 7 HA ILE 7 9.738 11.788 4.652 189 HB ILE 7 HB ILE 7 12.635 11.071 5.117 190 HG12 ILE 7 HG12 ILE 7 10.348 11.295 7.083 191 HG13 ILE 7 HG13 ILE 7 10.890 9.775 6.377 192 HG21 ILE 7 HG21 ILE 7 12.424 13.470 4.930 193 HG22 ILE 7 HG22 ILE 7 11.061 13.468 6.048 194 HG23 ILE 7 HG23 ILE 7 12.670 13.029 6.620 195 HD11 ILE 7 HD11 ILE 7 12.391 11.590 8.238 196 HD12 ILE 7 HD12 ILE 7 11.876 9.924 8.510 197 HD13 ILE 7 HD13 ILE 7 13.157 10.272 7.349 198 H HIS 8 H HIS 8 12.261 10.815 2.403 199 HA HIS 8 HA HIS 8 12.720 13.491 1.446 200 HB2 HIS 8 HB2 HIS 8 14.125 11.099 1.328 201 HB3 HIS 8 HB3 HIS 8 13.597 11.355 -0.332 202 HD1 HIS 8 HD1 HIS 8 13.834 14.589 0.058 203 HD2 HIS 8 HD2 HIS 8 16.778 11.712 0.622 204 HE1 HIS 8 HE1 HIS 8 16.020 15.805 -0.201 205 H ASN 9 H ASN 9 10.261 11.311 1.017 206 HA ASN 9 HA ASN 9 9.587 12.442 -1.620 207 HB2 ASN 9 HB2 ASN 9 10.085 9.980 -1.639 208 HB3 ASN 9 HB3 ASN 9 8.708 9.747 -0.567 209 HD21 ASN 9 HD21 ASN 9 6.674 9.793 -1.380 210 HD22 ASN 9 HD22 ASN 9 6.315 9.942 -3.063 211 H LEU 10 H LEU 10 8.863 12.598 1.554 212 HA LEU 10 HA LEU 10 6.025 13.192 1.026 213 HB2 LEU 10 HB2 LEU 10 5.387 12.336 3.067 214 HB3 LEU 10 HB3 LEU 10 6.644 11.209 2.563 215 HG LEU 10 HG LEU 10 8.174 12.798 4.012 216 HD11 LEU 10 HD11 LEU 10 5.536 13.772 4.558 217 HD12 LEU 10 HD12 LEU 10 7.089 14.363 5.146 218 HD13 LEU 10 HD13 LEU 10 6.241 13.092 6.025 219 HD21 LEU 10 HD21 LEU 10 7.407 10.316 4.290 220 HD22 LEU 10 HD22 LEU 10 6.387 10.981 5.566 221 HD23 LEU 10 HD23 LEU 10 8.139 11.177 5.644 222 H PHE 11 H PHE 11 9.043 14.330 2.132 223 HA PHE 11 HA PHE 11 8.397 16.323 3.934 224 HB2 PHE 11 HB2 PHE 11 10.644 15.641 2.295 225 HB3 PHE 11 HB3 PHE 11 10.389 17.381 2.213 226 HD1 PHE 11 HD1 PHE 11 9.736 15.115 5.073 227 HD2 PHE 11 HD2 PHE 11 12.164 18.220 3.470 228 HE1 PHE 11 HE1 PHE 11 10.840 15.375 7.257 229 HE2 PHE 11 HE2 PHE 11 13.273 18.484 5.650 230 HZ PHE 11 HZ PHE 11 12.611 17.060 7.547 231 H ARG 12 H ARG 12 7.850 16.194 0.508 232 HA ARG 12 HA ARG 12 7.499 18.936 -0.008 233 HB2 ARG 12 HB2 ARG 12 6.405 16.461 -1.333 234 HB3 ARG 12 HB3 ARG 12 6.043 18.077 -1.924 235 HG2 ARG 12 HG2 ARG 12 8.822 16.963 -1.612 236 HG3 ARG 12 HG3 ARG 12 7.902 16.962 -3.119 237 HD2 ARG 12 HD2 ARG 12 7.679 19.544 -2.522 238 HD3 ARG 12 HD3 ARG 12 9.187 19.211 -1.671 239 HE ARG 12 HE ARG 12 9.355 18.157 -4.265 240 HH11 ARG 12 HH11 ARG 12 9.228 21.226 -2.626 241 HH12 ARG 12 HH12 ARG 12 10.129 22.062 -3.846 242 HH21 ARG 12 HH21 ARG 12 10.543 19.248 -5.879 243 HH22 ARG 12 HH22 ARG 12 10.875 20.937 -5.697 244 H LYS 13 H LYS 13 4.965 16.452 0.388 245 HA LYS 13 HA LYS 13 3.246 18.540 1.560 246 HB2 LYS 13 HB2 LYS 13 2.631 16.432 -0.477 247 HB3 LYS 13 HB3 LYS 13 1.361 16.993 0.602 248 HG2 LYS 13 HG2 LYS 13 1.732 19.290 -0.173 249 HG3 LYS 13 HG3 LYS 13 2.977 18.703 -1.279 250 HD2 LYS 13 HD2 LYS 13 1.316 17.331 -2.429 251 HD3 LYS 13 HD3 LYS 13 0.070 17.887 -1.309 252 HE2 LYS 13 HE2 LYS 13 1.488 20.102 -2.517 253 HE3 LYS 13 HE3 LYS 13 0.781 19.045 -3.738 254 HZ1 LYS 13 HZ1 LYS 13 -1.333 19.480 -3.026 255 HZ2 LYS 13 HZ2 LYS 13 -0.603 20.970 -2.699 256 HZ3 LYS 13 HZ3 LYS 13 -0.862 19.863 -1.447 257 H LEU 14 H LEU 14 4.527 17.499 3.460 258 HA LEU 14 HA LEU 14 3.942 14.940 4.399 259 HB2 LEU 14 HB2 LEU 14 4.295 16.196 6.706 260 HB3 LEU 14 HB3 LEU 14 5.628 15.840 5.610 261 HG LEU 14 HG LEU 14 5.609 18.119 4.794 262 HD11 LEU 14 HD11 LEU 14 3.154 18.455 5.031 263 HD12 LEU 14 HD12 LEU 14 4.125 19.798 5.632 264 HD13 LEU 14 HD13 LEU 14 3.397 18.661 6.766 265 HD21 LEU 14 HD21 LEU 14 6.790 17.445 6.951 266 HD22 LEU 14 HD22 LEU 14 5.484 18.280 7.790 267 HD23 LEU 14 HD23 LEU 14 6.528 19.167 6.679 268 H THR 15 H THR 15 1.655 14.797 3.794 269 HA THR 15 HA THR 15 -0.076 15.835 5.941 270 HB THR 15 HB THR 15 -0.451 15.940 3.006 271 HG1 THR 15 HG1 THR 15 -1.561 17.831 3.633 272 HG21 THR 15 HG21 THR 15 -2.169 14.351 3.438 273 HG22 THR 15 HG22 THR 15 -2.954 15.926 3.330 274 HG23 THR 15 HG23 THR 15 -2.667 15.191 4.907 275 H HIS 16 H HIS 16 0.559 13.245 3.635 276 HA HIS 16 HA HIS 16 -1.471 11.528 4.767 277 HB2 HIS 16 HB2 HIS 16 0.694 10.933 2.739 278 HB3 HIS 16 HB3 HIS 16 -0.635 9.858 3.160 279 HD1 HIS 16 HD1 HIS 16 -3.076 10.745 2.502 280 HD2 HIS 16 HD2 HIS 16 0.123 12.774 0.798 281 HE1 HIS 16 HE1 HIS 16 -4.050 12.041 0.580 282 H ARG 17 H ARG 17 -1.208 10.212 6.442 283 HA ARG 17 HA ARG 17 1.333 10.024 7.763 284 HB2 ARG 17 HB2 ARG 17 -1.181 8.480 8.404 285 HB3 ARG 17 HB3 ARG 17 0.166 8.827 9.481 286 HG2 ARG 17 HG2 ARG 17 -1.001 10.565 10.209 287 HG3 ARG 17 HG3 ARG 17 -0.702 11.323 8.643 288 HD2 ARG 17 HD2 ARG 17 -2.803 10.915 7.894 289 HD3 ARG 17 HD3 ARG 17 -2.931 9.387 8.766 290 HE ARG 17 HE ARG 17 -3.907 10.510 10.501 291 HH11 ARG 17 HH11 ARG 17 -2.289 12.803 8.441 292 HH12 ARG 17 HH12 ARG 17 -2.914 14.188 9.273 293 HH21 ARG 17 HH21 ARG 17 -4.737 12.326 11.604 294 HH22 ARG 17 HH22 ARG 17 -4.305 13.916 11.072 295 H LEU 18 H LEU 18 0.306 8.550 5.090 296 HA LEU 18 HA LEU 18 0.563 5.829 5.376 297 HB2 LEU 18 HB2 LEU 18 1.432 5.835 3.035 298 HB3 LEU 18 HB3 LEU 18 -0.070 6.725 3.276 299 HG LEU 18 HG LEU 18 1.581 8.776 3.479 300 HD11 LEU 18 HD11 LEU 18 3.699 8.023 3.231 301 HD12 LEU 18 HD12 LEU 18 3.306 8.199 1.521 302 HD13 LEU 18 HD13 LEU 18 3.208 6.614 2.290 303 HD21 LEU 18 HD21 LEU 18 1.046 7.637 0.753 304 HD22 LEU 18 HD22 LEU 18 1.061 9.326 1.259 305 HD23 LEU 18 HD23 LEU 18 -0.247 8.261 1.777 306 H PHE 19 H PHE 19 3.012 8.254 5.632 307 HA PHE 19 HA PHE 19 5.341 6.935 5.051 308 HB2 PHE 19 HB2 PHE 19 5.493 9.211 5.690 309 HB3 PHE 19 HB3 PHE 19 4.705 8.911 7.235 310 HD1 PHE 19 HD1 PHE 19 7.392 6.831 5.811 311 HD2 PHE 19 HD2 PHE 19 6.364 9.835 8.646 312 HE1 PHE 19 HE1 PHE 19 9.593 6.572 6.879 313 HE2 PHE 19 HE2 PHE 19 8.563 9.581 9.718 314 HZ PHE 19 HZ PHE 19 10.182 7.948 8.835 315 H ARG 20 H ARG 20 3.823 7.023 8.280 316 HA ARG 20 HA ARG 20 5.275 4.550 8.935 317 HB2 ARG 20 HB2 ARG 20 5.018 5.145 11.265 318 HB3 ARG 20 HB3 ARG 20 5.711 6.506 10.394 319 HG2 ARG 20 HG2 ARG 20 3.223 7.282 10.219 320 HG3 ARG 20 HG3 ARG 20 3.008 6.209 11.602 321 HD2 ARG 20 HD2 ARG 20 4.867 7.417 12.740 322 HD3 ARG 20 HD3 ARG 20 4.889 8.554 11.392 323 HE ARG 20 HE ARG 20 3.001 9.542 12.236 324 HH11 ARG 20 HH11 ARG 20 3.486 6.467 13.793 325 HH12 ARG 20 HH12 ARG 20 2.245 6.722 14.975 326 HH21 ARG 20 HH21 ARG 20 1.364 9.890 13.787 327 HH22 ARG 20 HH22 ARG 20 1.039 8.669 14.971 328 H ARG 21 H ARG 21 2.126 6.014 8.684 329 HA ARG 21 HA ARG 21 0.678 3.991 10.059 330 HB2 ARG 21 HB2 ARG 21 -0.024 6.418 9.372 331 HB3 ARG 21 HB3 ARG 21 -0.538 5.645 7.878 332 HG2 ARG 21 HG2 ARG 21 -2.435 5.046 8.837 333 HG3 ARG 21 HG3 ARG 21 -1.541 4.110 10.037 334 HD2 ARG 21 HD2 ARG 21 -1.226 6.258 11.312 335 HD3 ARG 21 HD3 ARG 21 -2.367 7.001 10.191 336 HE ARG 21 HE ARG 21 -3.495 4.667 11.302 337 HH11 ARG 21 HH11 ARG 21 -2.632 7.933 12.143 338 HH12 ARG 21 HH12 ARG 21 -3.847 8.077 13.371 339 HH21 ARG 21 HH21 ARG 21 -5.098 4.844 12.915 340 HH22 ARG 21 HH22 ARG 21 -5.248 6.318 13.810 341 H ASN 22 H ASN 22 2.124 4.149 6.972 342 HA ASN 22 HA ASN 22 0.672 1.718 6.155 343 HB2 ASN 22 HB2 ASN 22 0.338 3.939 4.806 344 HB3 ASN 22 HB3 ASN 22 1.922 3.552 4.140 345 HD21 ASN 22 HD21 ASN 22 -0.617 3.684 2.781 346 HD22 ASN 22 HD22 ASN 22 -0.894 2.121 2.097 347 H PHE 23 H PHE 23 3.691 3.523 5.564 348 HA PHE 23 HA PHE 23 5.079 1.026 4.996 349 HB2 PHE 23 HB2 PHE 23 5.974 3.911 4.853 350 HB3 PHE 23 HB3 PHE 23 7.004 2.537 4.462 351 HD1 PHE 23 HD1 PHE 23 5.856 0.840 2.734 352 HD2 PHE 23 HD2 PHE 23 4.967 4.985 3.105 353 HE1 PHE 23 HE1 PHE 23 5.009 0.861 0.424 354 HE2 PHE 23 HE2 PHE 23 4.118 5.013 0.796 355 HZ PHE 23 HZ PHE 23 4.137 2.949 -0.548 356 H GLY 24 H GLY 24 4.134 2.160 7.739 357 HA2 GLY 24 HA2 GLY 24 6.739 1.908 9.108 358 HA3 GLY 24 HA3 GLY 24 5.362 2.790 9.752 359 H TYR 25 H TYR 25 3.591 0.531 8.758 360 HA TYR 25 HA TYR 25 3.676 -0.982 11.203 361 HB2 TYR 25 HB2 TYR 25 1.759 -0.465 9.099 362 HB3 TYR 25 HB3 TYR 25 1.824 -2.184 9.472 363 HD1 TYR 25 HD1 TYR 25 1.147 -3.010 11.658 364 HD2 TYR 25 HD2 TYR 25 0.975 1.141 10.741 365 HE1 TYR 25 HE1 TYR 25 -0.271 -2.639 13.633 366 HE2 TYR 25 HE2 TYR 25 -0.442 1.524 12.714 367 HH TYR 25 HH TYR 25 -0.713 0.079 15.094 368 H THR 26 H THR 26 5.130 -1.278 8.186 369 HA THR 26 HA THR 26 5.308 -4.196 8.322 370 HB THR 26 HB THR 26 5.754 -2.183 6.183 371 HG1 THR 26 HG1 THR 26 4.629 -4.788 6.386 372 HG21 THR 26 HG21 THR 26 7.946 -3.203 6.264 373 HG22 THR 26 HG22 THR 26 7.072 -3.816 4.860 374 HG23 THR 26 HG23 THR 26 7.231 -4.814 6.304 375 H LEU 27 H LEU 27 7.498 -1.404 7.958 376 HA LEU 27 HA LEU 27 9.851 -2.913 8.460 377 HB2 LEU 27 HB2 LEU 27 9.144 -0.094 8.047 378 HB3 LEU 27 HB3 LEU 27 10.559 -0.356 9.063 379 HG LEU 27 HG LEU 27 11.028 0.030 6.628 380 HD11 LEU 27 HD11 LEU 27 12.838 -1.445 6.592 381 HD12 LEU 27 HD12 LEU 27 11.968 -2.680 7.502 382 HD13 LEU 27 HD13 LEU 27 12.505 -1.206 8.308 383 HD21 LEU 27 HD21 LEU 27 9.953 -2.767 6.304 384 HD22 LEU 27 HD22 LEU 27 10.624 -1.724 5.051 385 HD23 LEU 27 HD23 LEU 27 9.088 -1.309 5.814 386 H ARG 28 H ARG 28 7.393 -2.178 10.492 387 HA ARG 28 HA ARG 28 8.528 -1.194 12.819 388 HB2 ARG 28 HB2 ARG 28 6.095 -1.599 12.437 389 HB3 ARG 28 HB3 ARG 28 6.387 -3.320 12.654 390 HG2 ARG 28 HG2 ARG 28 6.840 -3.086 14.920 391 HG3 ARG 28 HG3 ARG 28 7.158 -1.356 14.773 392 HD2 ARG 28 HD2 ARG 28 4.992 -0.822 14.999 393 HD3 ARG 28 HD3 ARG 28 4.465 -2.136 13.950 394 HE ARG 28 HE ARG 28 4.071 -3.407 15.808 395 HH11 ARG 28 HH11 ARG 28 6.119 -0.731 16.682 396 HH12 ARG 28 HH12 ARG 28 6.046 -1.060 18.381 397 HH21 ARG 28 HH21 ARG 28 3.967 -3.852 18.044 398 HH22 ARG 28 HH22 ARG 28 4.823 -2.837 19.155 Start of MODEL 11 1 H1 VAL 1 H VAL 1 -0.184 3.363 0.062 2 HA VAL 1 HA VAL 1 0.469 2.438 -1.965 3 HB VAL 1 HB VAL 1 1.484 3.902 -3.737 4 HG11 VAL 1 HG11 VAL 1 -0.880 5.313 -3.742 5 HG12 VAL 1 HG12 VAL 1 -0.639 3.694 -4.401 6 HG13 VAL 1 HG13 VAL 1 -1.258 3.898 -2.761 7 HG21 VAL 1 HG21 VAL 1 0.432 6.358 -2.579 8 HG22 VAL 1 HG22 VAL 1 1.795 5.701 -1.674 9 HG23 VAL 1 HG23 VAL 1 1.967 6.058 -3.393 10 H ALA 2 H ALA 2 2.401 1.475 -2.533 11 HA ALA 2 HA ALA 2 4.736 2.341 -0.963 12 HB1 ALA 2 HB1 ALA 2 4.265 -0.397 -2.124 13 HB2 ALA 2 HB2 ALA 2 5.475 0.080 -0.931 14 HB3 ALA 2 HB3 ALA 2 3.766 0.075 -0.499 15 H ARG 3 H ARG 3 4.875 3.907 -2.891 16 HA ARG 3 HA ARG 3 6.479 2.639 -5.014 17 HB2 ARG 3 HB2 ARG 3 5.369 5.251 -5.692 18 HB3 ARG 3 HB3 ARG 3 5.356 3.750 -6.610 19 HG2 ARG 3 HG2 ARG 3 3.437 2.970 -5.323 20 HG3 ARG 3 HG3 ARG 3 3.456 4.465 -4.385 21 HD2 ARG 3 HD2 ARG 3 3.287 4.581 -7.366 22 HD3 ARG 3 HD3 ARG 3 1.844 4.210 -6.424 23 HE ARG 3 HE ARG 3 3.033 6.485 -5.325 24 HH11 ARG 3 HH11 ARG 3 1.449 5.494 -8.263 25 HH12 ARG 3 HH12 ARG 3 0.830 7.074 -8.617 26 HH21 ARG 3 HH21 ARG 3 2.225 8.569 -5.780 27 HH22 ARG 3 HH22 ARG 3 1.274 8.822 -7.204 28 H GLY 4 H GLY 4 6.523 4.697 -2.388 29 HA2 GLY 4 HA2 GLY 4 8.610 6.450 -3.430 30 HA3 GLY 4 HA3 GLY 4 7.859 6.554 -1.845 31 H TRP 5 H TRP 5 8.494 3.404 -2.095 32 HA TRP 5 HA TRP 5 11.197 3.696 -0.958 33 HB2 TRP 5 HB2 TRP 5 8.847 2.064 -0.117 34 HB3 TRP 5 HB3 TRP 5 10.454 1.389 0.134 35 HD1 TRP 5 HD1 TRP 5 10.251 5.126 0.508 36 HE1 TRP 5 HE1 TRP 5 10.416 5.752 2.999 37 HE3 TRP 5 HE3 TRP 5 9.761 0.466 2.551 38 HZ2 TRP 5 HZ2 TRP 5 10.347 4.443 5.499 39 HZ3 TRP 5 HZ3 TRP 5 9.822 0.239 5.001 40 HH2 TRP 5 HH2 TRP 5 10.110 2.188 6.441 41 H LYS 6 H LYS 6 9.511 2.560 -3.565 42 HA LYS 6 HA LYS 6 11.496 0.445 -4.093 43 HB2 LYS 6 HB2 LYS 6 9.885 -0.644 -5.510 44 HB3 LYS 6 HB3 LYS 6 9.131 -0.331 -3.953 45 HG2 LYS 6 HG2 LYS 6 7.444 0.392 -5.260 46 HG3 LYS 6 HG3 LYS 6 8.381 1.888 -5.243 47 HD2 LYS 6 HD2 LYS 6 8.302 1.753 -7.478 48 HD3 LYS 6 HD3 LYS 6 9.528 0.494 -7.308 49 HE2 LYS 6 HE2 LYS 6 8.115 -0.930 -8.264 50 HE3 LYS 6 HE3 LYS 6 7.067 -0.768 -6.856 51 HZ1 LYS 6 HZ1 LYS 6 6.789 1.401 -8.710 52 HZ2 LYS 6 HZ2 LYS 6 5.602 0.419 -8.013 53 HZ3 LYS 6 HZ3 LYS 6 6.414 -0.096 -9.405 54 H ARG 7 H ARG 7 9.855 3.277 -5.344 55 HA ARG 7 HA ARG 7 10.726 3.229 -7.987 56 HB2 ARG 7 HB2 ARG 7 9.058 4.819 -7.133 57 HB3 ARG 7 HB3 ARG 7 10.309 5.635 -6.205 58 HG2 ARG 7 HG2 ARG 7 9.833 6.891 -8.197 59 HG3 ARG 7 HG3 ARG 7 11.457 6.209 -8.308 60 HD2 ARG 7 HD2 ARG 7 9.800 4.270 -9.415 61 HD3 ARG 7 HD3 ARG 7 9.157 5.799 -10.014 62 HE ARG 7 HE ARG 7 11.966 5.753 -10.291 63 HH11 ARG 7 HH11 ARG 7 9.069 4.380 -11.650 64 HH12 ARG 7 HH12 ARG 7 9.760 4.144 -13.220 65 HH21 ARG 7 HH21 ARG 7 12.888 5.447 -12.355 66 HH22 ARG 7 HH22 ARG 7 11.933 4.751 -13.621 67 H LYS 8 H LYS 8 12.476 3.835 -5.082 68 HA LYS 8 HA LYS 8 14.794 4.780 -6.632 69 HB2 LYS 8 HB2 LYS 8 13.949 5.208 -3.784 70 HB3 LYS 8 HB3 LYS 8 15.637 5.382 -4.246 71 HG2 LYS 8 HG2 LYS 8 14.516 7.530 -4.239 72 HG3 LYS 8 HG3 LYS 8 15.018 7.094 -5.874 73 HD2 LYS 8 HD2 LYS 8 12.810 6.540 -6.508 74 HD3 LYS 8 HD3 LYS 8 12.247 6.549 -4.835 75 HE2 LYS 8 HE2 LYS 8 11.835 8.737 -4.902 76 HE3 LYS 8 HE3 LYS 8 13.428 9.083 -5.572 77 HZ1 LYS 8 HZ1 LYS 8 10.881 8.710 -6.936 78 HZ2 LYS 8 HZ2 LYS 8 12.250 8.095 -7.715 79 HZ3 LYS 8 HZ3 LYS 8 12.170 9.737 -7.315 80 H CYS 9 H CYS 9 16.088 3.141 -7.153 81 HA CYS 9 HA CYS 9 16.195 0.699 -5.694 82 HB2 CYS 9 HB2 CYS 9 17.244 1.742 -8.179 83 HB3 CYS 9 HB3 CYS 9 18.482 0.843 -7.312 84 HG CYS 9 HG CYS 9 15.426 -0.353 -8.276 85 HA PRO 10 HA PRO 10 20.539 2.377 -4.339 86 HB2 PRO 10 HB2 PRO 10 20.933 5.050 -4.602 87 HB3 PRO 10 HB3 PRO 10 21.344 3.889 -5.870 88 HG2 PRO 10 HG2 PRO 10 18.926 5.635 -5.613 89 HG3 PRO 10 HG3 PRO 10 19.905 5.285 -7.050 90 HD2 PRO 10 HD2 PRO 10 17.538 4.062 -6.566 91 HD3 PRO 10 HD3 PRO 10 18.874 3.254 -7.410 92 H LEU 11 H LEU 11 17.575 2.921 -3.410 93 HA LEU 11 HA LEU 11 18.350 4.374 -0.966 94 HB2 LEU 11 HB2 LEU 11 15.795 4.465 -2.540 95 HB3 LEU 11 HB3 LEU 11 15.864 4.960 -0.851 96 HG LEU 11 HG LEU 11 17.120 6.262 -3.245 97 HD11 LEU 11 HD11 LEU 11 15.713 7.679 -1.044 98 HD12 LEU 11 HD12 LEU 11 14.753 6.728 -2.177 99 HD13 LEU 11 HD13 LEU 11 15.773 8.040 -2.770 100 HD21 LEU 11 HD21 LEU 11 18.953 6.352 -1.849 101 HD22 LEU 11 HD22 LEU 11 17.972 6.391 -0.384 102 HD23 LEU 11 HD23 LEU 11 18.092 7.826 -1.405 103 H PHE 12 H PHE 12 15.421 2.578 -1.853 104 HA PHE 12 HA PHE 12 15.971 0.746 0.389 105 HB2 PHE 12 HB2 PHE 12 13.744 2.473 -0.028 106 HB3 PHE 12 HB3 PHE 12 13.179 0.814 -0.182 107 HD1 PHE 12 HD1 PHE 12 12.196 0.064 1.741 108 HD2 PHE 12 HD2 PHE 12 15.645 2.542 2.025 109 HE1 PHE 12 HE1 PHE 12 12.142 -0.147 4.192 110 HE2 PHE 12 HE2 PHE 12 15.597 2.335 4.476 111 HZ PHE 12 HZ PHE 12 13.844 0.988 5.562 112 H GLY 13 H GLY 13 15.028 1.113 -2.919 113 HA2 GLY 13 HA2 GLY 13 13.841 -1.347 -3.457 114 HA3 GLY 13 HA3 GLY 13 14.778 -0.413 -4.614 115 H LYS 14 H LYS 14 17.071 -0.767 -4.725 116 HA LYS 14 HA LYS 14 17.751 -3.543 -4.108 117 HB2 LYS 14 HB2 LYS 14 19.410 -3.398 -5.781 118 HB3 LYS 14 HB3 LYS 14 18.024 -2.532 -6.430 119 HG2 LYS 14 HG2 LYS 14 19.078 -0.407 -5.716 120 HG3 LYS 14 HG3 LYS 14 20.500 -1.325 -5.215 121 HD2 LYS 14 HD2 LYS 14 19.509 -1.769 -7.973 122 HD3 LYS 14 HD3 LYS 14 20.270 -0.213 -7.634 123 HE2 LYS 14 HE2 LYS 14 21.926 -2.110 -6.435 124 HE3 LYS 14 HE3 LYS 14 21.470 -2.816 -7.985 125 HZ1 LYS 14 HZ1 LYS 14 22.121 -0.081 -8.303 126 HZ2 LYS 14 HZ2 LYS 14 22.829 -1.434 -9.027 127 HZ3 LYS 14 HZ3 LYS 14 23.392 -0.886 -7.529 128 H GLY 15 H GLY 15 18.133 -0.555 -2.724 129 HA2 GLY 15 HA2 GLY 15 20.840 -0.968 -1.744 130 HA3 GLY 15 HA3 GLY 15 19.797 0.401 -1.387 131 H GLY 16 H GLY 16 17.550 -0.884 -0.400 132 HA2 GLY 16 HA2 GLY 16 18.594 -1.790 2.180 133 HA3 GLY 16 HA3 GLY 16 16.957 -1.235 1.862 134 H1 LYS 1 H LYS 1 18.380 4.056 4.939 135 HA LYS 1 HA LYS 1 17.145 6.423 6.170 136 HB2 LYS 1 HB2 LYS 1 18.352 5.920 3.466 137 HB3 LYS 1 HB3 LYS 1 17.229 7.251 3.714 138 HG2 LYS 1 HG2 LYS 1 18.777 8.504 4.703 139 HG3 LYS 1 HG3 LYS 1 19.320 7.174 5.727 140 HD2 LYS 1 HD2 LYS 1 20.799 6.372 4.074 141 HD3 LYS 1 HD3 LYS 1 20.052 7.360 2.816 142 HE2 LYS 1 HE2 LYS 1 20.822 9.380 4.115 143 HE3 LYS 1 HE3 LYS 1 21.761 8.277 5.119 144 HZ1 LYS 1 HZ1 LYS 1 23.090 7.662 3.302 145 HZ2 LYS 1 HZ2 LYS 1 22.966 9.346 3.200 146 HZ3 LYS 1 HZ3 LYS 1 22.044 8.367 2.173 147 H TYR 2 H TYR 2 15.060 5.949 6.570 148 HA TYR 2 HA TYR 2 13.466 4.874 4.336 149 HB2 TYR 2 HB2 TYR 2 11.976 4.341 6.592 150 HB3 TYR 2 HB3 TYR 2 12.983 3.180 5.734 151 HD1 TYR 2 HD1 TYR 2 12.645 5.232 8.727 152 HD2 TYR 2 HD2 TYR 2 15.203 2.586 6.594 153 HE1 TYR 2 HE1 TYR 2 14.014 4.936 10.749 154 HE2 TYR 2 HE2 TYR 2 16.579 2.281 8.610 155 HH TYR 2 HH TYR 2 16.616 4.238 11.123 156 H GLU 3 H GLU 3 13.217 6.791 7.331 157 HA GLU 3 HA GLU 3 10.760 7.978 6.845 158 HB2 GLU 3 HB2 GLU 3 11.566 9.814 8.340 159 HB3 GLU 3 HB3 GLU 3 11.790 8.200 8.998 160 HG2 GLU 3 HG2 GLU 3 14.163 8.564 7.764 161 HG3 GLU 3 HG3 GLU 3 13.773 10.220 8.224 162 H ILE 4 H ILE 4 13.995 9.100 5.907 163 HA ILE 4 HA ILE 4 13.045 11.452 4.602 164 HB ILE 4 HB ILE 4 15.277 11.779 3.832 165 HG12 ILE 4 HG12 ILE 4 16.868 9.695 4.566 166 HG13 ILE 4 HG13 ILE 4 15.409 8.840 4.078 167 HG21 ILE 4 HG21 ILE 4 16.586 11.458 5.931 168 HG22 ILE 4 HG22 ILE 4 15.019 12.229 6.164 169 HG23 ILE 4 HG23 ILE 4 15.232 10.526 6.571 170 HD11 ILE 4 HD11 ILE 4 16.059 9.012 1.976 171 HD12 ILE 4 HD12 ILE 4 15.924 10.767 2.094 172 HD13 ILE 4 HD13 ILE 4 17.456 9.973 2.459 173 H THR 5 H THR 5 12.694 8.285 3.798 174 HA THR 5 HA THR 5 12.889 8.759 0.905 175 HB THR 5 HB THR 5 12.186 6.044 1.774 176 HG1 THR 5 HG1 THR 5 14.667 7.226 2.529 177 HG21 THR 5 HG21 THR 5 13.719 7.409 -0.298 178 HG22 THR 5 HG22 THR 5 12.891 5.852 -0.345 179 HG23 THR 5 HG23 THR 5 14.523 5.964 0.315 180 H THR 6 H THR 6 10.658 8.367 3.477 181 HA THR 6 HA THR 6 8.446 8.112 1.543 182 HB THR 6 HB THR 6 8.257 6.176 2.827 183 HG1 THR 6 HG1 THR 6 6.322 7.525 2.882 184 HG21 THR 6 HG21 THR 6 9.662 6.109 4.589 185 HG22 THR 6 HG22 THR 6 8.265 6.681 5.501 186 HG23 THR 6 HG23 THR 6 9.475 7.829 4.929 187 H ILE 7 H ILE 7 9.993 10.205 3.590 188 HA ILE 7 HA ILE 7 7.535 11.758 4.072 189 HB ILE 7 HB ILE 7 10.148 11.949 5.577 190 HG12 ILE 7 HG12 ILE 7 7.505 10.780 6.474 191 HG13 ILE 7 HG13 ILE 7 8.901 9.830 5.981 192 HG21 ILE 7 HG21 ILE 7 9.364 13.960 6.142 193 HG22 ILE 7 HG22 ILE 7 7.777 13.625 5.452 194 HG23 ILE 7 HG23 ILE 7 8.153 13.100 7.093 195 HD11 ILE 7 HD11 ILE 7 9.821 11.609 7.940 196 HD12 ILE 7 HD12 ILE 7 8.290 10.960 8.529 197 HD13 ILE 7 HD13 ILE 7 9.596 9.865 8.075 198 H HIS 8 H HIS 8 10.397 11.615 2.303 199 HA HIS 8 HA HIS 8 10.194 14.482 1.657 200 HB2 HIS 8 HB2 HIS 8 12.468 12.996 2.584 201 HB3 HIS 8 HB3 HIS 8 12.778 13.569 0.947 202 HD1 HIS 8 HD1 HIS 8 14.010 14.603 3.784 203 HD2 HIS 8 HD2 HIS 8 11.247 16.517 1.340 204 HE1 HIS 8 HE1 HIS 8 14.194 17.048 4.346 205 H ASN 9 H ASN 9 9.632 11.455 0.552 206 HA ASN 9 HA ASN 9 10.581 11.819 -2.162 207 HB2 ASN 9 HB2 ASN 9 10.690 9.576 -1.471 208 HB3 ASN 9 HB3 ASN 9 9.094 9.632 -0.729 209 HD21 ASN 9 HD21 ASN 9 10.545 10.213 -3.919 210 HD22 ASN 9 HD22 ASN 9 9.350 9.339 -4.807 211 H LEU 10 H LEU 10 7.371 11.190 -0.730 212 HA LEU 10 HA LEU 10 6.214 12.905 -2.829 213 HB2 LEU 10 HB2 LEU 10 4.438 11.453 -3.155 214 HB3 LEU 10 HB3 LEU 10 5.823 10.375 -3.000 215 HG LEU 10 HG LEU 10 4.832 10.580 -0.416 216 HD11 LEU 10 HD11 LEU 10 2.564 10.560 -0.404 217 HD12 LEU 10 HD12 LEU 10 2.448 9.868 -2.022 218 HD13 LEU 10 HD13 LEU 10 2.805 11.584 -1.820 219 HD21 LEU 10 HD21 LEU 10 3.984 8.245 -0.927 220 HD22 LEU 10 HD22 LEU 10 5.691 8.549 -1.247 221 HD23 LEU 10 HD23 LEU 10 4.536 8.514 -2.580 222 H PHE 11 H PHE 11 6.794 12.621 0.388 223 HA PHE 11 HA PHE 11 4.272 13.585 1.398 224 HB2 PHE 11 HB2 PHE 11 6.859 12.750 2.528 225 HB3 PHE 11 HB3 PHE 11 6.067 14.054 3.406 226 HD1 PHE 11 HD1 PHE 11 5.689 12.728 5.375 227 HD2 PHE 11 HD2 PHE 11 4.163 11.509 1.592 228 HE1 PHE 11 HE1 PHE 11 4.235 11.087 6.493 229 HE2 PHE 11 HE2 PHE 11 2.706 9.867 2.705 230 HZ PHE 11 HZ PHE 11 2.740 9.656 5.159 231 H ARG 12 H ARG 12 6.605 15.011 -0.389 232 HA ARG 12 HA ARG 12 7.033 17.468 0.951 233 HB2 ARG 12 HB2 ARG 12 7.097 17.013 -2.033 234 HB3 ARG 12 HB3 ARG 12 7.938 18.263 -1.125 235 HG2 ARG 12 HG2 ARG 12 8.791 15.855 -0.009 236 HG3 ARG 12 HG3 ARG 12 8.766 15.582 -1.753 237 HD2 ARG 12 HD2 ARG 12 10.017 18.032 -0.554 238 HD3 ARG 12 HD3 ARG 12 10.912 16.521 -0.714 239 HE ARG 12 HE ARG 12 9.761 17.147 -3.190 240 HH11 ARG 12 HH11 ARG 12 12.225 18.316 -1.025 241 HH12 ARG 12 HH12 ARG 12 13.189 19.007 -2.288 242 HH21 ARG 12 HH21 ARG 12 11.022 18.053 -4.860 243 HH22 ARG 12 HH22 ARG 12 12.504 18.857 -4.468 244 H LYS 13 H LYS 13 4.287 16.182 -0.491 245 HA LYS 13 HA LYS 13 3.133 18.854 -0.941 246 HB2 LYS 13 HB2 LYS 13 2.829 16.267 -2.310 247 HB3 LYS 13 HB3 LYS 13 1.316 17.112 -2.010 248 HG2 LYS 13 HG2 LYS 13 1.751 18.133 -3.948 249 HG3 LYS 13 HG3 LYS 13 2.861 19.119 -2.991 250 HD2 LYS 13 HD2 LYS 13 3.960 16.561 -3.941 251 HD3 LYS 13 HD3 LYS 13 3.569 17.726 -5.209 252 HE2 LYS 13 HE2 LYS 13 4.947 18.920 -2.934 253 HE3 LYS 13 HE3 LYS 13 5.888 17.659 -3.729 254 HZ1 LYS 13 HZ1 LYS 13 4.581 19.623 -5.444 255 HZ2 LYS 13 HZ2 LYS 13 6.082 18.864 -5.619 256 HZ3 LYS 13 HZ3 LYS 13 5.909 20.158 -4.544 257 H LEU 14 H LEU 14 1.677 15.689 -0.232 258 HA LEU 14 HA LEU 14 0.331 16.928 2.077 259 HB2 LEU 14 HB2 LEU 14 -0.706 15.272 -0.143 260 HB3 LEU 14 HB3 LEU 14 -1.354 14.938 1.461 261 HG LEU 14 HG LEU 14 -1.696 17.586 1.425 262 HD11 LEU 14 HD11 LEU 14 -0.792 18.036 -0.721 263 HD12 LEU 14 HD12 LEU 14 -2.544 18.177 -0.863 264 HD13 LEU 14 HD13 LEU 14 -1.725 16.735 -1.461 265 HD21 LEU 14 HD21 LEU 14 -3.299 15.286 1.095 266 HD22 LEU 14 HD22 LEU 14 -3.871 16.490 -0.060 267 HD23 LEU 14 HD23 LEU 14 -3.786 16.885 1.657 268 H THR 15 H THR 15 0.886 16.058 3.952 269 HA THR 15 HA THR 15 1.744 13.237 3.998 270 HB THR 15 HB THR 15 3.687 14.503 4.481 271 HG1 THR 15 HG1 THR 15 2.662 13.925 7.066 272 HG21 THR 15 HG21 THR 15 1.850 16.175 6.161 273 HG22 THR 15 HG22 THR 15 2.969 16.681 4.895 274 HG23 THR 15 HG23 THR 15 3.587 16.162 6.464 275 H HIS 16 H HIS 16 0.576 11.920 5.233 276 HA HIS 16 HA HIS 16 -1.065 13.097 7.378 277 HB2 HIS 16 HB2 HIS 16 -2.494 12.442 5.507 278 HB3 HIS 16 HB3 HIS 16 -1.803 10.822 5.525 279 HD1 HIS 16 HD1 HIS 16 -3.491 9.273 6.435 280 HD2 HIS 16 HD2 HIS 16 -3.488 12.901 8.458 281 HE1 HIS 16 HE1 HIS 16 -5.198 9.025 8.263 282 H ARG 17 H ARG 17 -1.129 9.706 6.734 283 HA ARG 17 HA ARG 17 0.641 9.221 9.038 284 HB2 ARG 17 HB2 ARG 17 -1.919 7.753 8.379 285 HB3 ARG 17 HB3 ARG 17 -0.831 7.372 9.708 286 HG2 ARG 17 HG2 ARG 17 -2.277 9.994 9.401 287 HG3 ARG 17 HG3 ARG 17 -2.849 8.642 10.382 288 HD2 ARG 17 HD2 ARG 17 -0.973 8.796 11.834 289 HD3 ARG 17 HD3 ARG 17 -0.152 9.922 10.756 290 HE ARG 17 HE ARG 17 -1.358 11.631 11.683 291 HH11 ARG 17 HH11 ARG 17 -2.857 8.601 12.509 292 HH12 ARG 17 HH12 ARG 17 -3.988 9.311 13.612 293 HH21 ARG 17 HH21 ARG 17 -2.842 12.579 13.131 294 HH22 ARG 17 HH22 ARG 17 -3.979 11.575 13.964 295 H LEU 18 H LEU 18 0.164 8.741 5.807 296 HA LEU 18 HA LEU 18 0.705 6.101 5.260 297 HB2 LEU 18 HB2 LEU 18 1.744 8.552 3.848 298 HB3 LEU 18 HB3 LEU 18 1.817 6.917 3.194 299 HG LEU 18 HG LEU 18 -0.738 8.382 3.853 300 HD11 LEU 18 HD11 LEU 18 -0.993 8.743 1.488 301 HD12 LEU 18 HD12 LEU 18 0.525 7.909 1.159 302 HD13 LEU 18 HD13 LEU 18 0.534 9.447 2.020 303 HD21 LEU 18 HD21 LEU 18 -1.152 6.068 3.949 304 HD22 LEU 18 HD22 LEU 18 -0.118 5.741 2.558 305 HD23 LEU 18 HD23 LEU 18 -1.661 6.565 2.335 306 H PHE 19 H PHE 19 2.784 8.464 6.672 307 HA PHE 19 HA PHE 19 5.313 7.589 6.060 308 HB2 PHE 19 HB2 PHE 19 5.083 9.538 7.404 309 HB3 PHE 19 HB3 PHE 19 4.194 8.665 8.647 310 HD1 PHE 19 HD1 PHE 19 7.298 7.559 6.968 311 HD2 PHE 19 HD2 PHE 19 5.533 9.091 10.524 312 HE1 PHE 19 HE1 PHE 19 9.401 7.156 8.181 313 HE2 PHE 19 HE2 PHE 19 7.632 8.692 11.743 314 HZ PHE 19 HZ PHE 19 9.570 7.725 10.571 315 H ARG 20 H ARG 20 3.526 6.564 8.976 316 HA ARG 20 HA ARG 20 5.121 4.097 8.989 317 HB2 ARG 20 HB2 ARG 20 3.640 5.589 11.142 318 HB3 ARG 20 HB3 ARG 20 4.135 3.915 11.361 319 HG2 ARG 20 HG2 ARG 20 5.977 6.220 10.764 320 HG3 ARG 20 HG3 ARG 20 5.732 5.475 12.345 321 HD2 ARG 20 HD2 ARG 20 6.478 3.305 11.326 322 HD3 ARG 20 HD3 ARG 20 6.919 4.214 9.881 323 HE ARG 20 HE ARG 20 8.098 5.254 12.281 324 HH11 ARG 20 HH11 ARG 20 8.414 2.893 9.742 325 HH12 ARG 20 HH12 ARG 20 10.132 2.755 9.906 326 HH21 ARG 20 HH21 ARG 20 10.361 5.080 12.507 327 HH22 ARG 20 HH22 ARG 20 11.239 3.997 11.481 328 H ARG 21 H ARG 21 1.856 5.342 8.873 329 HA ARG 21 HA ARG 21 0.485 2.921 9.339 330 HB2 ARG 21 HB2 ARG 21 -0.316 5.462 9.131 331 HB3 ARG 21 HB3 ARG 21 -0.695 4.935 7.496 332 HG2 ARG 21 HG2 ARG 21 -2.613 4.146 8.268 333 HG3 ARG 21 HG3 ARG 21 -1.697 2.935 9.166 334 HD2 ARG 21 HD2 ARG 21 -1.426 5.017 10.831 335 HD3 ARG 21 HD3 ARG 21 -2.973 5.435 10.097 336 HE ARG 21 HE ARG 21 -2.809 2.715 11.022 337 HH11 ARG 21 HH11 ARG 21 -3.564 6.003 11.880 338 HH12 ARG 21 HH12 ARG 21 -4.601 5.559 13.196 339 HH21 ARG 21 HH21 ARG 21 -4.170 2.117 12.752 340 HH22 ARG 21 HH22 ARG 21 -4.944 3.349 13.692 341 H ASN 22 H ASN 22 2.360 3.957 6.715 342 HA ASN 22 HA ASN 22 1.230 1.823 5.026 343 HB2 ASN 22 HB2 ASN 22 1.028 4.375 4.326 344 HB3 ASN 22 HB3 ASN 22 2.679 4.112 3.774 345 HD21 ASN 22 HD21 ASN 22 3.063 2.517 2.173 346 HD22 ASN 22 HD22 ASN 22 1.807 2.036 1.091 347 H PHE 23 H PHE 23 4.172 3.824 5.313 348 HA PHE 23 HA PHE 23 5.792 1.568 4.448 349 HB2 PHE 23 HB2 PHE 23 6.481 4.447 5.058 350 HB3 PHE 23 HB3 PHE 23 7.667 3.240 4.570 351 HD1 PHE 23 HD1 PHE 23 7.444 2.163 2.315 352 HD2 PHE 23 HD2 PHE 23 5.156 5.559 3.476 353 HE1 PHE 23 HE1 PHE 23 6.957 2.638 -0.049 354 HE2 PHE 23 HE2 PHE 23 4.665 6.040 1.114 355 HZ PHE 23 HZ PHE 23 5.565 4.578 -0.653 356 H GLY 24 H GLY 24 4.408 2.029 7.204 357 HA2 GLY 24 HA2 GLY 24 6.810 1.592 8.863 358 HA3 GLY 24 HA3 GLY 24 5.280 2.212 9.465 359 H TYR 25 H TYR 25 3.966 0.104 7.650 360 HA TYR 25 HA TYR 25 3.785 -1.907 9.702 361 HB2 TYR 25 HB2 TYR 25 2.235 -1.088 7.392 362 HB3 TYR 25 HB3 TYR 25 2.411 -2.837 7.454 363 HD1 TYR 25 HD1 TYR 25 0.994 0.106 9.099 364 HD2 TYR 25 HD2 TYR 25 1.448 -4.120 9.289 365 HE1 TYR 25 HE1 TYR 25 -0.791 -0.004 10.788 366 HE2 TYR 25 HE2 TYR 25 -0.336 -4.242 10.978 367 HH TYR 25 HH TYR 25 -1.507 -1.538 12.611 368 H THR 26 H THR 26 5.748 -1.409 7.005 369 HA THR 26 HA THR 26 6.245 -4.260 6.577 370 HB THR 26 HB THR 26 6.805 -1.792 5.025 371 HG1 THR 26 HG1 THR 26 5.562 -2.880 3.712 372 HG21 THR 26 HG21 THR 26 9.060 -2.608 5.312 373 HG22 THR 26 HG22 THR 26 8.520 -2.981 3.675 374 HG23 THR 26 HG23 THR 26 8.557 -4.247 4.902 375 H LEU 27 H LEU 27 8.129 -1.300 7.220 376 HA LEU 27 HA LEU 27 10.505 -2.733 7.876 377 HB2 LEU 27 HB2 LEU 27 9.893 -0.129 7.269 378 HB3 LEU 27 HB3 LEU 27 10.262 -0.042 8.990 379 HG LEU 27 HG LEU 27 12.080 -0.985 6.777 380 HD11 LEU 27 HD11 LEU 27 12.234 1.302 6.744 381 HD12 LEU 27 HD12 LEU 27 13.466 0.907 7.940 382 HD13 LEU 27 HD13 LEU 27 11.877 1.463 8.463 383 HD21 LEU 27 HD21 LEU 27 12.385 -2.399 8.733 384 HD22 LEU 27 HD22 LEU 27 12.542 -0.972 9.758 385 HD23 LEU 27 HD23 LEU 27 13.760 -1.313 8.529 386 H ARG 28 H ARG 28 7.678 -2.613 9.476 387 HA ARG 28 HA ARG 28 8.253 -1.966 12.113 388 HB2 ARG 28 HB2 ARG 28 5.987 -2.415 11.375 389 HB3 ARG 28 HB3 ARG 28 6.397 -4.088 11.026 390 HG2 ARG 28 HG2 ARG 28 6.791 -4.494 13.400 391 HG3 ARG 28 HG3 ARG 28 6.393 -2.812 13.753 392 HD2 ARG 28 HD2 ARG 28 4.163 -3.127 13.423 393 HD3 ARG 28 HD3 ARG 28 4.410 -4.385 12.212 394 HE ARG 28 HE ARG 28 4.142 -4.739 15.058 395 HH11 ARG 28 HH11 ARG 28 5.319 -6.111 12.083 396 HH12 ARG 28 HH12 ARG 28 5.277 -7.742 12.667 397 HH21 ARG 28 HH21 ARG 28 4.082 -6.882 15.838 398 HH22 ARG 28 HH22 ARG 28 4.573 -8.179 14.802 Start of MODEL 12 1 H1 VAL 1 H VAL 1 -0.696 3.026 -2.147 2 HA VAL 1 HA VAL 1 0.433 4.395 -4.455 3 HB VAL 1 HB VAL 1 0.806 6.476 -3.051 4 HG11 VAL 1 HG11 VAL 1 -1.166 5.821 -4.806 5 HG12 VAL 1 HG12 VAL 1 -2.101 6.362 -3.410 6 HG13 VAL 1 HG13 VAL 1 -0.905 7.433 -4.142 7 HG21 VAL 1 HG21 VAL 1 -0.030 5.114 -0.962 8 HG22 VAL 1 HG22 VAL 1 -0.330 6.847 -1.093 9 HG23 VAL 1 HG23 VAL 1 -1.608 5.700 -1.488 10 H ALA 2 H ALA 2 1.828 2.465 -3.930 11 HA ALA 2 HA ALA 2 3.826 3.203 -1.890 12 HB1 ALA 2 HB1 ALA 2 2.487 1.117 -1.422 13 HB2 ALA 2 HB2 ALA 2 3.283 0.394 -2.821 14 HB3 ALA 2 HB3 ALA 2 4.240 0.917 -1.436 15 H ARG 3 H ARG 3 4.687 4.487 -3.748 16 HA ARG 3 HA ARG 3 6.350 2.789 -5.491 17 HB2 ARG 3 HB2 ARG 3 5.899 5.563 -6.362 18 HB3 ARG 3 HB3 ARG 3 5.886 4.071 -7.294 19 HG2 ARG 3 HG2 ARG 3 3.630 3.586 -6.483 20 HG3 ARG 3 HG3 ARG 3 3.645 5.091 -5.561 21 HD2 ARG 3 HD2 ARG 3 2.928 6.190 -7.350 22 HD3 ARG 3 HD3 ARG 3 4.379 5.705 -8.228 23 HE ARG 3 HE ARG 3 2.754 3.535 -8.410 24 HH11 ARG 3 HH11 ARG 3 2.381 6.916 -9.153 25 HH12 ARG 3 HH12 ARG 3 1.259 6.643 -10.444 26 HH21 ARG 3 HH21 ARG 3 1.277 3.162 -10.107 27 HH22 ARG 3 HH22 ARG 3 0.630 4.507 -10.985 28 H GLY 4 H GLY 4 6.301 5.108 -3.029 29 HA2 GLY 4 HA2 GLY 4 8.801 6.389 -3.640 30 HA3 GLY 4 HA3 GLY 4 7.904 6.513 -2.133 31 H TRP 5 H TRP 5 7.970 3.377 -2.329 32 HA TRP 5 HA TRP 5 10.657 3.118 -1.143 33 HB2 TRP 5 HB2 TRP 5 7.997 2.088 -0.256 34 HB3 TRP 5 HB3 TRP 5 9.425 1.105 0.065 35 HD1 TRP 5 HD1 TRP 5 9.677 4.910 0.240 36 HE1 TRP 5 HE1 TRP 5 10.082 5.601 2.687 37 HE3 TRP 5 HE3 TRP 5 8.998 0.369 2.490 38 HZ2 TRP 5 HZ2 TRP 5 10.110 4.382 5.233 39 HZ3 TRP 5 HZ3 TRP 5 9.232 0.217 4.934 40 HH2 TRP 5 HH2 TRP 5 9.777 2.183 6.275 41 H LYS 6 H LYS 6 8.401 1.949 -3.447 42 HA LYS 6 HA LYS 6 9.771 -0.577 -3.851 43 HB2 LYS 6 HB2 LYS 6 7.435 -0.723 -4.155 44 HB3 LYS 6 HB3 LYS 6 7.386 0.739 -5.130 45 HG2 LYS 6 HG2 LYS 6 9.061 -1.352 -6.276 46 HG3 LYS 6 HG3 LYS 6 7.372 -1.826 -6.083 47 HD2 LYS 6 HD2 LYS 6 7.556 0.853 -7.120 48 HD3 LYS 6 HD3 LYS 6 8.483 -0.263 -8.125 49 HE2 LYS 6 HE2 LYS 6 6.615 -1.548 -8.637 50 HE3 LYS 6 HE3 LYS 6 5.707 -0.957 -7.246 51 HZ1 LYS 6 HZ1 LYS 6 6.178 0.344 -9.839 52 HZ2 LYS 6 HZ2 LYS 6 5.896 1.299 -8.472 53 HZ3 LYS 6 HZ3 LYS 6 4.736 0.175 -8.973 54 H ARG 7 H ARG 7 9.421 2.542 -5.459 55 HA ARG 7 HA ARG 7 11.044 1.744 -7.709 56 HB2 ARG 7 HB2 ARG 7 10.230 4.551 -6.960 57 HB3 ARG 7 HB3 ARG 7 10.692 3.951 -8.547 58 HG2 ARG 7 HG2 ARG 7 8.236 3.047 -7.064 59 HG3 ARG 7 HG3 ARG 7 8.253 4.351 -8.253 60 HD2 ARG 7 HD2 ARG 7 9.142 1.521 -8.799 61 HD3 ARG 7 HD3 ARG 7 7.538 2.152 -9.173 62 HE ARG 7 HE ARG 7 9.364 3.853 -10.375 63 HH11 ARG 7 HH11 ARG 7 8.440 0.502 -10.582 64 HH12 ARG 7 HH12 ARG 7 8.856 0.356 -12.258 65 HH21 ARG 7 HH21 ARG 7 9.916 3.673 -12.581 66 HH22 ARG 7 HH22 ARG 7 9.697 2.160 -13.393 67 H LYS 8 H LYS 8 11.589 2.952 -4.574 68 HA LYS 8 HA LYS 8 14.090 4.265 -5.166 69 HB2 LYS 8 HB2 LYS 8 12.498 3.702 -2.704 70 HB3 LYS 8 HB3 LYS 8 14.212 4.061 -2.528 71 HG2 LYS 8 HG2 LYS 8 12.774 6.043 -2.270 72 HG3 LYS 8 HG3 LYS 8 13.927 6.196 -3.598 73 HD2 LYS 8 HD2 LYS 8 12.270 5.910 -5.223 74 HD3 LYS 8 HD3 LYS 8 11.132 5.211 -4.069 75 HE2 LYS 8 HE2 LYS 8 10.600 7.273 -3.152 76 HE3 LYS 8 HE3 LYS 8 12.091 8.023 -3.720 77 HZ1 LYS 8 HZ1 LYS 8 11.268 8.201 -5.874 78 HZ2 LYS 8 HZ2 LYS 8 9.940 8.616 -4.912 79 HZ3 LYS 8 HZ3 LYS 8 10.029 7.079 -5.614 80 H CYS 9 H CYS 9 15.758 3.049 -5.786 81 HA CYS 9 HA CYS 9 16.110 0.375 -4.676 82 HB2 CYS 9 HB2 CYS 9 16.909 1.750 -7.125 83 HB3 CYS 9 HB3 CYS 9 18.223 0.828 -6.406 84 HG CYS 9 HG CYS 9 16.980 -0.704 -8.408 85 HA PRO 10 HA PRO 10 20.351 2.318 -3.500 86 HB2 PRO 10 HB2 PRO 10 20.754 4.942 -4.068 87 HB3 PRO 10 HB3 PRO 10 21.131 3.644 -5.206 88 HG2 PRO 10 HG2 PRO 10 18.730 5.427 -5.095 89 HG3 PRO 10 HG3 PRO 10 19.675 4.910 -6.504 90 HD2 PRO 10 HD2 PRO 10 17.312 3.769 -5.837 91 HD3 PRO 10 HD3 PRO 10 18.625 2.861 -6.614 92 H LEU 11 H LEU 11 17.342 3.890 -3.068 93 HA LEU 11 HA LEU 11 18.153 5.432 -0.760 94 HB2 LEU 11 HB2 LEU 11 15.799 5.202 -2.455 95 HB3 LEU 11 HB3 LEU 11 15.394 5.323 -0.744 96 HG LEU 11 HG LEU 11 16.957 7.311 -2.389 97 HD11 LEU 11 HD11 LEU 11 14.798 7.829 -2.873 98 HD12 LEU 11 HD12 LEU 11 14.955 8.708 -1.352 99 HD13 LEU 11 HD13 LEU 11 14.174 7.127 -1.380 100 HD21 LEU 11 HD21 LEU 11 17.909 8.007 -0.511 101 HD22 LEU 11 HD22 LEU 11 17.048 6.785 0.424 102 HD23 LEU 11 HD23 LEU 11 16.307 8.361 0.138 103 H PHE 12 H PHE 12 15.423 3.177 -1.024 104 HA PHE 12 HA PHE 12 16.285 1.979 1.527 105 HB2 PHE 12 HB2 PHE 12 14.128 3.421 1.452 106 HB3 PHE 12 HB3 PHE 12 13.419 2.037 0.626 107 HD1 PHE 12 HD1 PHE 12 12.020 0.914 2.054 108 HD2 PHE 12 HD2 PHE 12 15.752 2.344 3.521 109 HE1 PHE 12 HE1 PHE 12 11.572 -0.153 4.225 110 HE2 PHE 12 HE2 PHE 12 15.309 1.278 5.694 111 HZ PHE 12 HZ PHE 12 13.218 0.027 6.049 112 H GLY 13 H GLY 13 15.657 1.442 -1.741 113 HA2 GLY 13 HA2 GLY 13 14.644 -1.197 -1.686 114 HA3 GLY 13 HA3 GLY 13 15.490 -0.449 -3.033 115 H LYS 14 H LYS 14 17.449 -1.194 -3.539 116 HA LYS 14 HA LYS 14 18.547 -3.391 -2.071 117 HB2 LYS 14 HB2 LYS 14 20.027 -1.937 -4.237 118 HB3 LYS 14 HB3 LYS 14 20.041 -3.652 -3.846 119 HG2 LYS 14 HG2 LYS 14 17.811 -2.118 -5.162 120 HG3 LYS 14 HG3 LYS 14 18.870 -3.314 -5.914 121 HD2 LYS 14 HD2 LYS 14 17.941 -4.849 -3.981 122 HD3 LYS 14 HD3 LYS 14 16.602 -3.700 -4.021 123 HE2 LYS 14 HE2 LYS 14 15.906 -5.312 -5.524 124 HE3 LYS 14 HE3 LYS 14 16.656 -4.117 -6.581 125 HZ1 LYS 14 HZ1 LYS 14 18.751 -5.600 -6.165 126 HZ2 LYS 14 HZ2 LYS 14 17.615 -6.023 -7.345 127 HZ3 LYS 14 HZ3 LYS 14 17.595 -6.791 -5.837 128 H GLY 15 H GLY 15 18.917 -0.005 -1.935 129 HA2 GLY 15 HA2 GLY 15 21.567 -0.170 -0.702 130 HA3 GLY 15 HA3 GLY 15 20.722 1.305 -1.147 131 H GLY 16 H GLY 16 19.738 -1.470 0.859 132 HA2 GLY 16 HA2 GLY 16 18.613 0.298 2.832 133 HA3 GLY 16 HA3 GLY 16 18.664 -1.457 2.908 134 H1 LYS 1 H LYS 1 16.761 7.489 5.244 135 HA LYS 1 HA LYS 1 17.321 4.692 5.985 136 HB2 LYS 1 HB2 LYS 1 15.957 6.869 7.569 137 HB3 LYS 1 HB3 LYS 1 15.855 5.167 8.000 138 HG2 LYS 1 HG2 LYS 1 18.579 5.685 7.658 139 HG3 LYS 1 HG3 LYS 1 17.936 7.069 8.543 140 HD2 LYS 1 HD2 LYS 1 16.774 5.295 10.017 141 HD3 LYS 1 HD3 LYS 1 17.933 4.169 9.308 142 HE2 LYS 1 HE2 LYS 1 19.716 5.877 10.010 143 HE3 LYS 1 HE3 LYS 1 18.455 6.575 11.025 144 HZ1 LYS 1 HZ1 LYS 1 18.956 5.059 12.539 145 HZ2 LYS 1 HZ2 LYS 1 20.051 4.294 11.501 146 HZ3 LYS 1 HZ3 LYS 1 18.420 3.845 11.488 147 H TYR 2 H TYR 2 14.338 5.901 7.017 148 HA TYR 2 HA TYR 2 12.973 4.683 4.707 149 HB2 TYR 2 HB2 TYR 2 11.211 4.417 6.822 150 HB3 TYR 2 HB3 TYR 2 12.221 3.140 6.153 151 HD1 TYR 2 HD1 TYR 2 14.300 2.482 7.277 152 HD2 TYR 2 HD2 TYR 2 11.724 5.427 8.947 153 HE1 TYR 2 HE1 TYR 2 15.450 2.252 9.439 154 HE2 TYR 2 HE2 TYR 2 12.867 5.207 11.114 155 HH TYR 2 HH TYR 2 14.828 2.674 11.907 156 H GLU 3 H GLU 3 12.520 6.897 7.459 157 HA GLU 3 HA GLU 3 10.173 8.116 6.627 158 HB2 GLU 3 HB2 GLU 3 10.882 10.044 8.015 159 HB3 GLU 3 HB3 GLU 3 11.065 8.501 8.838 160 HG2 GLU 3 HG2 GLU 3 13.516 8.737 7.777 161 HG3 GLU 3 HG3 GLU 3 13.104 10.440 7.964 162 H ILE 4 H ILE 4 13.526 8.967 5.852 163 HA ILE 4 HA ILE 4 12.792 11.206 4.224 164 HB ILE 4 HB ILE 4 15.086 11.444 3.711 165 HG12 ILE 4 HG12 ILE 4 16.532 9.345 4.715 166 HG13 ILE 4 HG13 ILE 4 15.115 8.524 4.071 167 HG21 ILE 4 HG21 ILE 4 16.188 11.263 5.917 168 HG22 ILE 4 HG22 ILE 4 14.583 11.987 6.003 169 HG23 ILE 4 HG23 ILE 4 14.820 10.308 6.490 170 HD11 ILE 4 HD11 ILE 4 15.822 10.284 2.067 171 HD12 ILE 4 HD12 ILE 4 17.364 9.697 2.689 172 HD13 ILE 4 HD13 ILE 4 16.152 8.553 2.115 173 H THR 5 H THR 5 12.252 8.057 3.733 174 HA THR 5 HA THR 5 12.864 8.128 0.858 175 HB THR 5 HB THR 5 12.089 5.742 2.547 176 HG1 THR 5 HG1 THR 5 14.149 6.350 3.130 177 HG21 THR 5 HG21 THR 5 11.540 5.681 0.080 178 HG22 THR 5 HG22 THR 5 12.605 4.399 0.657 179 HG23 THR 5 HG23 THR 5 13.275 5.773 -0.223 180 H THR 6 H THR 6 10.298 8.063 3.177 181 HA THR 6 HA THR 6 8.334 7.861 0.985 182 HB THR 6 HB THR 6 7.845 6.008 2.307 183 HG1 THR 6 HG1 THR 6 6.241 7.820 3.740 184 HG21 THR 6 HG21 THR 6 9.028 5.933 4.228 185 HG22 THR 6 HG22 THR 6 7.570 6.623 4.940 186 HG23 THR 6 HG23 THR 6 8.911 7.673 4.485 187 H ILE 7 H ILE 7 9.737 9.925 3.186 188 HA ILE 7 HA ILE 7 7.400 11.722 3.114 189 HB ILE 7 HB ILE 7 9.515 11.831 5.252 190 HG12 ILE 7 HG12 ILE 7 6.873 10.358 5.341 191 HG13 ILE 7 HG13 ILE 7 8.468 9.615 5.349 192 HG21 ILE 7 HG21 ILE 7 7.339 13.477 4.527 193 HG22 ILE 7 HG22 ILE 7 6.919 12.697 6.052 194 HG23 ILE 7 HG23 ILE 7 8.407 13.633 5.921 195 HD11 ILE 7 HD11 ILE 7 6.926 10.419 7.545 196 HD12 ILE 7 HD12 ILE 7 8.573 9.788 7.548 197 HD13 ILE 7 HD13 ILE 7 8.295 11.528 7.464 198 H HIS 8 H HIS 8 10.265 11.225 1.731 199 HA HIS 8 HA HIS 8 10.912 14.097 1.583 200 HB2 HIS 8 HB2 HIS 8 12.598 12.160 2.460 201 HB3 HIS 8 HB3 HIS 8 12.978 12.158 0.741 202 HD1 HIS 8 HD1 HIS 8 12.228 15.135 2.981 203 HD2 HIS 8 HD2 HIS 8 15.288 13.579 0.642 204 HE1 HIS 8 HE1 HIS 8 14.042 16.877 2.999 205 H ASN 9 H ASN 9 9.970 11.287 -0.121 206 HA ASN 9 HA ASN 9 10.899 12.007 -2.708 207 HB2 ASN 9 HB2 ASN 9 9.011 10.370 -3.414 208 HB3 ASN 9 HB3 ASN 9 10.378 9.740 -2.498 209 HD21 ASN 9 HD21 ASN 9 7.088 9.801 -2.730 210 HD22 ASN 9 HD22 ASN 9 6.684 9.289 -1.129 211 H LEU 10 H LEU 10 7.560 11.970 -1.444 212 HA LEU 10 HA LEU 10 7.018 14.359 -3.080 213 HB2 LEU 10 HB2 LEU 10 4.995 13.521 -3.832 214 HB3 LEU 10 HB3 LEU 10 6.068 12.126 -3.919 215 HG LEU 10 HG LEU 10 4.921 11.917 -1.408 216 HD11 LEU 10 HD11 LEU 10 2.835 12.786 -3.405 217 HD12 LEU 10 HD12 LEU 10 3.301 13.647 -1.938 218 HD13 LEU 10 HD13 LEU 10 2.510 12.074 -1.824 219 HD21 LEU 10 HD21 LEU 10 5.358 10.303 -3.475 220 HD22 LEU 10 HD22 LEU 10 3.623 10.540 -3.690 221 HD23 LEU 10 HD23 LEU 10 4.243 9.888 -2.173 222 H PHE 11 H PHE 11 7.233 13.161 -0.037 223 HA PHE 11 HA PHE 11 5.144 14.966 0.993 224 HB2 PHE 11 HB2 PHE 11 6.002 12.270 1.792 225 HB3 PHE 11 HB3 PHE 11 5.817 13.396 3.133 226 HD1 PHE 11 HD1 PHE 11 3.944 12.289 4.115 227 HD2 PHE 11 HD2 PHE 11 3.811 13.592 0.066 228 HE1 PHE 11 HE1 PHE 11 1.511 11.928 4.083 229 HE2 PHE 11 HE2 PHE 11 1.377 13.234 0.027 230 HZ PHE 11 HZ PHE 11 0.224 12.402 2.038 231 H ARG 12 H ARG 12 7.969 15.534 0.193 232 HA ARG 12 HA ARG 12 9.729 15.846 2.269 233 HB2 ARG 12 HB2 ARG 12 10.597 17.838 1.041 234 HB3 ARG 12 HB3 ARG 12 10.374 16.418 0.027 235 HG2 ARG 12 HG2 ARG 12 8.112 17.429 -0.588 236 HG3 ARG 12 HG3 ARG 12 8.726 18.919 0.134 237 HD2 ARG 12 HD2 ARG 12 9.678 19.372 -1.825 238 HD3 ARG 12 HD3 ARG 12 10.777 18.027 -1.524 239 HE ARG 12 HE ARG 12 9.709 16.867 -3.168 240 HH11 ARG 12 HH11 ARG 12 7.593 19.391 -2.039 241 HH12 ARG 12 HH12 ARG 12 6.373 19.080 -3.229 242 HH21 ARG 12 HH21 ARG 12 8.110 16.448 -4.739 243 HH22 ARG 12 HH22 ARG 12 6.668 17.405 -4.764 244 H LYS 13 H LYS 13 6.905 17.798 1.516 245 HA LYS 13 HA LYS 13 7.335 19.276 4.031 246 HB2 LYS 13 HB2 LYS 13 6.087 20.222 1.448 247 HB3 LYS 13 HB3 LYS 13 5.979 21.111 2.962 248 HG2 LYS 13 HG2 LYS 13 8.232 21.640 2.964 249 HG3 LYS 13 HG3 LYS 13 8.644 20.325 1.861 250 HD2 LYS 13 HD2 LYS 13 8.568 21.790 0.188 251 HD3 LYS 13 HD3 LYS 13 6.832 21.947 0.469 252 HE2 LYS 13 HE2 LYS 13 7.665 23.596 2.366 253 HE3 LYS 13 HE3 LYS 13 9.070 23.717 1.308 254 HZ1 LYS 13 HZ1 LYS 13 6.252 24.277 0.557 255 HZ2 LYS 13 HZ2 LYS 13 7.560 24.309 -0.514 256 HZ3 LYS 13 HZ3 LYS 13 7.483 25.420 0.761 257 H LEU 14 H LEU 14 5.733 16.776 3.052 258 HA LEU 14 HA LEU 14 3.206 17.570 4.344 259 HB2 LEU 14 HB2 LEU 14 3.737 15.980 1.903 260 HB3 LEU 14 HB3 LEU 14 2.431 15.426 2.951 261 HG LEU 14 HG LEU 14 1.691 16.865 1.061 262 HD11 LEU 14 HD11 LEU 14 0.007 17.030 2.517 263 HD12 LEU 14 HD12 LEU 14 0.665 18.621 2.898 264 HD13 LEU 14 HD13 LEU 14 1.094 17.229 3.892 265 HD21 LEU 14 HD21 LEU 14 3.824 18.356 1.413 266 HD22 LEU 14 HD22 LEU 14 2.762 19.238 2.510 267 HD23 LEU 14 HD23 LEU 14 2.320 19.055 0.812 268 H THR 15 H THR 15 2.922 16.631 6.244 269 HA THR 15 HA THR 15 4.082 13.956 6.684 270 HB THR 15 HB THR 15 3.885 14.914 9.211 271 HG1 THR 15 HG1 THR 15 4.759 17.129 7.647 272 HG21 THR 15 HG21 THR 15 6.027 14.610 7.233 273 HG22 THR 15 HG22 THR 15 5.942 14.058 8.906 274 HG23 THR 15 HG23 THR 15 6.413 15.719 8.549 275 H HIS 16 H HIS 16 2.376 12.619 6.529 276 HA HIS 16 HA HIS 16 -0.064 13.313 8.026 277 HB2 HIS 16 HB2 HIS 16 0.243 11.393 5.708 278 HB3 HIS 16 HB3 HIS 16 -1.264 11.786 6.530 279 HD1 HIS 16 HD1 HIS 16 -1.370 12.291 3.646 280 HD2 HIS 16 HD2 HIS 16 0.186 15.113 6.268 281 HE1 HIS 16 HE1 HIS 16 -1.530 14.491 2.438 282 H ARG 17 H ARG 17 -0.420 10.218 7.149 283 HA ARG 17 HA ARG 17 0.848 9.169 9.593 284 HB2 ARG 17 HB2 ARG 17 -1.066 7.817 10.045 285 HB3 ARG 17 HB3 ARG 17 -1.645 9.455 9.767 286 HG2 ARG 17 HG2 ARG 17 -1.863 8.500 7.281 287 HG3 ARG 17 HG3 ARG 17 -2.062 6.998 8.186 288 HD2 ARG 17 HD2 ARG 17 -3.941 7.830 9.345 289 HD3 ARG 17 HD3 ARG 17 -3.613 9.488 8.841 290 HE ARG 17 HE ARG 17 -4.117 7.720 6.641 291 HH11 ARG 17 HH11 ARG 17 -5.595 9.717 9.079 292 HH12 ARG 17 HH12 ARG 17 -7.056 9.960 8.180 293 HH21 ARG 17 HH21 ARG 17 -6.034 8.033 5.447 294 HH22 ARG 17 HH22 ARG 17 -7.305 9.001 6.114 295 H LEU 18 H LEU 18 0.119 8.747 6.241 296 HA LEU 18 HA LEU 18 0.479 6.064 5.801 297 HB2 LEU 18 HB2 LEU 18 1.538 6.774 3.610 298 HB3 LEU 18 HB3 LEU 18 -0.079 7.384 3.954 299 HG LEU 18 HG LEU 18 1.124 9.506 4.778 300 HD11 LEU 18 HD11 LEU 18 3.353 9.246 4.858 301 HD12 LEU 18 HD12 LEU 18 3.272 9.600 3.133 302 HD13 LEU 18 HD13 LEU 18 3.346 7.928 3.687 303 HD21 LEU 18 HD21 LEU 18 0.197 8.650 2.243 304 HD22 LEU 18 HD22 LEU 18 1.633 9.641 1.982 305 HD23 LEU 18 HD23 LEU 18 0.266 10.290 2.890 306 H PHE 19 H PHE 19 2.822 8.389 6.829 307 HA PHE 19 HA PHE 19 5.227 7.363 6.050 308 HB2 PHE 19 HB2 PHE 19 5.260 9.338 7.346 309 HB3 PHE 19 HB3 PHE 19 4.383 8.580 8.672 310 HD1 PHE 19 HD1 PHE 19 5.835 8.904 10.471 311 HD2 PHE 19 HD2 PHE 19 7.314 7.239 6.844 312 HE1 PHE 19 HE1 PHE 19 7.967 8.385 11.583 313 HE2 PHE 19 HE2 PHE 19 9.448 6.715 7.951 314 HZ PHE 19 HZ PHE 19 9.776 7.288 10.323 315 H ARG 20 H ARG 20 3.709 6.500 9.163 316 HA ARG 20 HA ARG 20 5.172 3.956 9.081 317 HB2 ARG 20 HB2 ARG 20 4.650 3.831 11.509 318 HB3 ARG 20 HB3 ARG 20 5.606 5.240 11.073 319 HG2 ARG 20 HG2 ARG 20 2.855 5.944 10.928 320 HG3 ARG 20 HG3 ARG 20 3.155 5.143 12.472 321 HD2 ARG 20 HD2 ARG 20 5.270 6.731 12.470 322 HD3 ARG 20 HD3 ARG 20 4.248 7.693 11.401 323 HE ARG 20 HE ARG 20 3.004 8.289 13.217 324 HH11 ARG 20 HH11 ARG 20 4.800 5.409 13.994 325 HH12 ARG 20 HH12 ARG 20 4.314 5.398 15.657 326 HH21 ARG 20 HH21 ARG 20 2.359 8.286 15.404 327 HH22 ARG 20 HH22 ARG 20 2.926 7.035 16.458 328 H ARG 21 H ARG 21 2.016 5.341 8.968 329 HA ARG 21 HA ARG 21 0.563 3.004 9.729 330 HB2 ARG 21 HB2 ARG 21 -0.161 5.545 9.589 331 HB3 ARG 21 HB3 ARG 21 -0.635 5.089 7.958 332 HG2 ARG 21 HG2 ARG 21 -2.522 4.242 8.734 333 HG3 ARG 21 HG3 ARG 21 -1.616 3.114 9.745 334 HD2 ARG 21 HD2 ARG 21 -1.904 4.350 11.611 335 HD3 ARG 21 HD3 ARG 21 -1.764 5.879 10.745 336 HE ARG 21 HE ARG 21 -4.202 4.550 10.126 337 HH11 ARG 21 HH11 ARG 21 -2.620 6.473 12.559 338 HH12 ARG 21 HH12 ARG 21 -4.096 7.127 13.187 339 HH21 ARG 21 HH21 ARG 21 -6.151 5.404 10.944 340 HH22 ARG 21 HH22 ARG 21 -6.105 6.518 12.268 341 H ASN 22 H ASN 22 2.222 3.927 6.913 342 HA ASN 22 HA ASN 22 0.860 1.808 5.385 343 HB2 ASN 22 HB2 ASN 22 1.146 4.540 4.710 344 HB3 ASN 22 HB3 ASN 22 2.227 3.644 3.648 345 HD21 ASN 22 HD21 ASN 22 1.392 2.320 2.097 346 HD22 ASN 22 HD22 ASN 22 -0.292 2.237 1.724 347 H PHE 23 H PHE 23 3.909 3.659 5.484 348 HA PHE 23 HA PHE 23 5.345 1.327 4.480 349 HB2 PHE 23 HB2 PHE 23 6.240 4.167 5.005 350 HB3 PHE 23 HB3 PHE 23 7.291 2.896 4.389 351 HD1 PHE 23 HD1 PHE 23 6.746 1.847 2.170 352 HD2 PHE 23 HD2 PHE 23 4.839 5.382 3.576 353 HE1 PHE 23 HE1 PHE 23 6.039 2.373 -0.127 354 HE2 PHE 23 HE2 PHE 23 4.127 5.914 1.281 355 HZ PHE 23 HZ PHE 23 4.726 4.409 -0.574 356 H GLY 24 H GLY 24 4.218 1.901 7.335 357 HA2 GLY 24 HA2 GLY 24 6.726 1.388 8.803 358 HA3 GLY 24 HA3 GLY 24 5.263 2.054 9.516 359 H TYR 25 H TYR 25 3.801 -0.058 7.783 360 HA TYR 25 HA TYR 25 3.672 -2.025 9.879 361 HB2 TYR 25 HB2 TYR 25 2.008 -1.175 7.700 362 HB3 TYR 25 HB3 TYR 25 2.220 -2.921 7.622 363 HD1 TYR 25 HD1 TYR 25 0.312 -3.934 8.442 364 HD2 TYR 25 HD2 TYR 25 1.896 -0.568 10.507 365 HE1 TYR 25 HE1 TYR 25 -1.383 -4.222 10.200 366 HE2 TYR 25 HE2 TYR 25 0.204 -0.847 12.271 367 HH TYR 25 HH TYR 25 -1.935 -3.623 12.342 368 H THR 26 H THR 26 5.517 -1.621 7.079 369 HA THR 26 HA THR 26 5.893 -4.452 6.562 370 HB THR 26 HB THR 26 6.723 -1.935 5.233 371 HG1 THR 26 HG1 THR 26 5.729 -4.481 4.470 372 HG21 THR 26 HG21 THR 26 8.899 -2.918 5.581 373 HG22 THR 26 HG22 THR 26 8.433 -3.149 3.895 374 HG23 THR 26 HG23 THR 26 8.317 -4.490 5.033 375 H LEU 27 H LEU 27 7.964 -1.719 7.544 376 HA LEU 27 HA LEU 27 10.183 -3.383 8.190 377 HB2 LEU 27 HB2 LEU 27 9.801 -0.698 7.792 378 HB3 LEU 27 HB3 LEU 27 10.067 -0.788 9.532 379 HG LEU 27 HG LEU 27 11.947 -1.663 7.345 380 HD11 LEU 27 HD11 LEU 27 13.422 -0.004 8.606 381 HD12 LEU 27 HD12 LEU 27 11.932 0.559 9.362 382 HD13 LEU 27 HD13 LEU 27 12.123 0.655 7.612 383 HD21 LEU 27 HD21 LEU 27 12.116 -3.295 9.082 384 HD22 LEU 27 HD22 LEU 27 12.121 -2.049 10.329 385 HD23 LEU 27 HD23 LEU 27 13.492 -2.203 9.230 386 H ARG 28 H ARG 28 7.283 -3.166 9.654 387 HA ARG 28 HA ARG 28 7.942 -2.912 12.393 388 HB2 ARG 28 HB2 ARG 28 5.605 -3.185 10.904 389 HB3 ARG 28 HB3 ARG 28 5.661 -4.641 11.889 390 HG2 ARG 28 HG2 ARG 28 6.133 -3.012 13.843 391 HG3 ARG 28 HG3 ARG 28 5.488 -1.787 12.749 392 HD2 ARG 28 HD2 ARG 28 3.493 -2.375 13.579 393 HD3 ARG 28 HD3 ARG 28 3.636 -3.776 12.519 394 HE ARG 28 HE ARG 28 4.885 -4.584 14.777 395 HH11 ARG 28 HH11 ARG 28 1.765 -3.174 14.144 396 HH12 ARG 28 HH12 ARG 28 0.992 -3.965 15.477 397 HH21 ARG 28 HH21 ARG 28 3.879 -5.631 16.536 398 HH22 ARG 28 HH22 ARG 28 2.195 -5.361 16.838 Start of MODEL 13 1 H1 VAL 1 H VAL 1 0.590 -0.665 -0.131 2 HA VAL 1 HA VAL 1 0.687 0.051 -2.832 3 HB VAL 1 HB VAL 1 -0.066 2.368 -1.046 4 HG11 VAL 1 HG11 VAL 1 -0.175 3.550 -3.295 5 HG12 VAL 1 HG12 VAL 1 1.433 3.174 -2.673 6 HG13 VAL 1 HG13 VAL 1 0.722 2.175 -3.940 7 HG21 VAL 1 HG21 VAL 1 -1.687 0.512 -2.525 8 HG22 VAL 1 HG22 VAL 1 -2.184 1.839 -1.475 9 HG23 VAL 1 HG23 VAL 1 -1.864 2.139 -3.183 10 H ALA 2 H ALA 2 2.815 -0.454 -2.813 11 HA ALA 2 HA ALA 2 4.563 1.174 -1.083 12 HB1 ALA 2 HB1 ALA 2 6.100 -0.632 -0.917 13 HB2 ALA 2 HB2 ALA 2 4.501 -1.277 -0.544 14 HB3 ALA 2 HB3 ALA 2 5.223 -1.572 -2.126 15 H ARG 3 H ARG 3 4.346 2.693 -2.955 16 HA ARG 3 HA ARG 3 6.285 1.994 -5.062 17 HB2 ARG 3 HB2 ARG 3 4.468 4.164 -5.752 18 HB3 ARG 3 HB3 ARG 3 4.891 2.721 -6.663 19 HG2 ARG 3 HG2 ARG 3 3.261 1.428 -5.400 20 HG3 ARG 3 HG3 ARG 3 2.851 2.859 -4.453 21 HD2 ARG 3 HD2 ARG 3 1.199 2.564 -6.175 22 HD3 ARG 3 HD3 ARG 3 2.166 3.990 -6.549 23 HE ARG 3 HE ARG 3 2.864 2.956 -8.461 24 HH11 ARG 3 HH11 ARG 3 1.581 0.556 -6.290 25 HH12 ARG 3 HH12 ARG 3 1.686 -0.732 -7.445 26 HH21 ARG 3 HH21 ARG 3 3.008 1.269 -9.989 27 HH22 ARG 3 HH22 ARG 3 2.499 -0.326 -9.547 28 H GLY 4 H GLY 4 5.710 3.902 -2.402 29 HA2 GLY 4 HA2 GLY 4 7.172 6.230 -3.391 30 HA3 GLY 4 HA3 GLY 4 6.406 6.076 -1.817 31 H TRP 5 H TRP 5 7.947 3.266 -2.075 32 HA TRP 5 HA TRP 5 10.450 4.335 -0.944 33 HB2 TRP 5 HB2 TRP 5 8.673 2.103 -0.052 34 HB3 TRP 5 HB3 TRP 5 10.407 1.967 0.232 35 HD1 TRP 5 HD1 TRP 5 9.361 5.510 0.473 36 HE1 TRP 5 HE1 TRP 5 9.161 6.222 2.939 37 HE3 TRP 5 HE3 TRP 5 9.564 0.897 2.669 38 HZ2 TRP 5 HZ2 TRP 5 9.099 4.992 5.478 39 HZ3 TRP 5 HZ3 TRP 5 9.428 0.752 5.122 40 HH2 TRP 5 HH2 TRP 5 9.200 2.758 6.496 41 H LYS 6 H LYS 6 8.963 2.096 -3.132 42 HA LYS 6 HA LYS 6 11.580 0.950 -3.817 43 HB2 LYS 6 HB2 LYS 6 8.755 0.023 -4.234 44 HB3 LYS 6 HB3 LYS 6 10.058 -0.617 -5.226 45 HG2 LYS 6 HG2 LYS 6 9.761 -0.821 -2.241 46 HG3 LYS 6 HG3 LYS 6 9.698 -2.127 -3.425 47 HD2 LYS 6 HD2 LYS 6 12.145 -0.922 -3.896 48 HD3 LYS 6 HD3 LYS 6 11.990 -0.887 -2.138 49 HE2 LYS 6 HE2 LYS 6 13.097 -2.929 -2.902 50 HE3 LYS 6 HE3 LYS 6 11.559 -3.284 -2.115 51 HZ1 LYS 6 HZ1 LYS 6 11.014 -4.411 -3.926 52 HZ2 LYS 6 HZ2 LYS 6 12.395 -3.895 -4.753 53 HZ3 LYS 6 HZ3 LYS 6 10.985 -2.960 -4.795 54 H ARG 7 H ARG 7 8.622 2.076 -5.469 55 HA ARG 7 HA ARG 7 9.895 2.373 -7.987 56 HB2 ARG 7 HB2 ARG 7 7.339 2.202 -7.292 57 HB3 ARG 7 HB3 ARG 7 7.460 3.956 -7.315 58 HG2 ARG 7 HG2 ARG 7 7.245 3.964 -9.514 59 HG3 ARG 7 HG3 ARG 7 8.670 2.937 -9.679 60 HD2 ARG 7 HD2 ARG 7 7.438 1.013 -9.829 61 HD3 ARG 7 HD3 ARG 7 6.104 1.667 -8.879 62 HE ARG 7 HE ARG 7 6.041 3.134 -11.159 63 HH11 ARG 7 HH11 ARG 7 6.054 -0.282 -10.487 64 HH12 ARG 7 HH12 ARG 7 5.135 -0.695 -11.897 65 HH21 ARG 7 HH21 ARG 7 4.831 2.603 -13.018 66 HH22 ARG 7 HH22 ARG 7 4.441 0.947 -13.337 67 H LYS 8 H LYS 8 8.932 4.711 -5.489 68 HA LYS 8 HA LYS 8 9.741 7.043 -6.760 69 HB2 LYS 8 HB2 LYS 8 9.054 6.229 -4.066 70 HB3 LYS 8 HB3 LYS 8 10.346 7.423 -4.055 71 HG2 LYS 8 HG2 LYS 8 8.188 8.501 -3.882 72 HG3 LYS 8 HG3 LYS 8 8.966 8.923 -5.410 73 HD2 LYS 8 HD2 LYS 8 7.493 6.633 -5.978 74 HD3 LYS 8 HD3 LYS 8 6.445 7.585 -4.925 75 HE2 LYS 8 HE2 LYS 8 7.029 9.560 -6.448 76 HE3 LYS 8 HE3 LYS 8 7.642 8.346 -7.571 77 HZ1 LYS 8 HZ1 LYS 8 4.961 9.122 -7.062 78 HZ2 LYS 8 HZ2 LYS 8 5.150 7.461 -6.802 79 HZ3 LYS 8 HZ3 LYS 8 5.572 8.136 -8.295 80 H CYS 9 H CYS 9 11.599 5.730 -4.035 81 HA CYS 9 HA CYS 9 14.060 6.308 -5.549 82 HB2 CYS 9 HB2 CYS 9 13.198 7.486 -3.153 83 HB3 CYS 9 HB3 CYS 9 14.455 6.349 -2.684 84 HG CYS 9 HG CYS 9 15.396 9.053 -3.058 85 HA PRO 10 HA PRO 10 14.690 1.937 -4.919 86 HB2 PRO 10 HB2 PRO 10 17.058 1.817 -6.242 87 HB3 PRO 10 HB3 PRO 10 15.499 1.899 -7.070 88 HG2 PRO 10 HG2 PRO 10 17.464 4.087 -6.510 89 HG3 PRO 10 HG3 PRO 10 16.545 3.759 -7.991 90 HD2 PRO 10 HD2 PRO 10 15.809 5.663 -6.211 91 HD3 PRO 10 HD3 PRO 10 14.630 4.747 -7.172 92 H LEU 11 H LEU 11 15.351 3.776 -2.788 93 HA LEU 11 HA LEU 11 18.032 2.925 -1.969 94 HB2 LEU 11 HB2 LEU 11 16.200 5.133 -1.202 95 HB3 LEU 11 HB3 LEU 11 17.316 4.529 0.021 96 HG LEU 11 HG LEU 11 18.568 5.150 -2.561 97 HD11 LEU 11 HD11 LEU 11 16.725 7.028 -1.423 98 HD12 LEU 11 HD12 LEU 11 17.708 7.167 -2.880 99 HD13 LEU 11 HD13 LEU 11 18.370 7.655 -1.319 100 HD21 LEU 11 HD21 LEU 11 19.448 6.463 -0.093 101 HD22 LEU 11 HD22 LEU 11 20.359 5.501 -1.258 102 HD23 LEU 11 HD23 LEU 11 19.403 4.701 -0.009 103 H PHE 12 H PHE 12 14.742 3.121 -0.611 104 HA PHE 12 HA PHE 12 15.126 1.742 1.733 105 HB2 PHE 12 HB2 PHE 12 13.007 2.753 1.339 106 HB3 PHE 12 HB3 PHE 12 12.747 1.804 -0.121 107 HD1 PHE 12 HD1 PHE 12 13.160 1.459 3.557 108 HD2 PHE 12 HD2 PHE 12 11.527 -0.161 -0.025 109 HE1 PHE 12 HE1 PHE 12 11.946 -0.226 4.876 110 HE2 PHE 12 HE2 PHE 12 10.311 -1.850 1.290 111 HZ PHE 12 HZ PHE 12 10.519 -1.882 3.743 112 H GLY 13 H GLY 13 14.831 0.471 -1.522 113 HA2 GLY 13 HA2 GLY 13 14.935 -2.276 -0.491 114 HA3 GLY 13 HA3 GLY 13 14.542 -1.812 -2.141 115 H LYS 14 H LYS 14 16.243 -1.184 -3.558 116 HA LYS 14 HA LYS 14 18.489 -2.793 -3.506 117 HB2 LYS 14 HB2 LYS 14 18.340 -0.100 -4.865 118 HB3 LYS 14 HB3 LYS 14 19.344 -1.468 -5.326 119 HG2 LYS 14 HG2 LYS 14 16.344 -1.287 -5.490 120 HG3 LYS 14 HG3 LYS 14 17.489 -1.309 -6.834 121 HD2 LYS 14 HD2 LYS 14 18.231 -3.585 -5.816 122 HD3 LYS 14 HD3 LYS 14 16.663 -3.532 -5.007 123 HE2 LYS 14 HE2 LYS 14 15.998 -4.586 -6.897 124 HE3 LYS 14 HE3 LYS 14 15.884 -2.932 -7.495 125 HZ1 LYS 14 HZ1 LYS 14 18.207 -3.213 -8.319 126 HZ2 LYS 14 HZ2 LYS 14 17.065 -4.188 -9.097 127 HZ3 LYS 14 HZ3 LYS 14 18.097 -4.857 -7.934 128 H GLY 15 H GLY 15 18.185 0.596 -2.483 129 HA2 GLY 15 HA2 GLY 15 20.819 1.169 -1.896 130 HA3 GLY 15 HA3 GLY 15 19.450 1.834 -1.018 131 H GLY 16 H GLY 16 18.509 -0.675 0.029 132 HA2 GLY 16 HA2 GLY 16 20.525 -1.003 2.137 133 HA3 GLY 16 HA3 GLY 16 18.821 -1.414 2.268 134 H1 LYS 1 H LYS 1 17.932 2.250 6.116 135 HA LYS 1 HA LYS 1 17.666 5.108 6.785 136 HB2 LYS 1 HB2 LYS 1 19.163 3.690 4.665 137 HB3 LYS 1 HB3 LYS 1 18.317 5.145 4.156 138 HG2 LYS 1 HG2 LYS 1 20.367 5.990 4.732 139 HG3 LYS 1 HG3 LYS 1 19.470 6.208 6.237 140 HD2 LYS 1 HD2 LYS 1 20.583 4.490 7.302 141 HD3 LYS 1 HD3 LYS 1 20.991 3.677 5.791 142 HE2 LYS 1 HE2 LYS 1 22.886 4.860 5.526 143 HE3 LYS 1 HE3 LYS 1 22.147 6.358 6.091 144 HZ1 LYS 1 HZ1 LYS 1 22.592 5.843 8.289 145 HZ2 LYS 1 HZ2 LYS 1 23.982 5.292 7.498 146 HZ3 LYS 1 HZ3 LYS 1 22.793 4.191 7.985 147 H TYR 2 H TYR 2 15.463 5.260 6.928 148 HA TYR 2 HA TYR 2 13.941 4.536 4.510 149 HB2 TYR 2 HB2 TYR 2 11.978 4.716 6.303 150 HB3 TYR 2 HB3 TYR 2 12.887 3.227 6.066 151 HD1 TYR 2 HD1 TYR 2 12.218 6.016 8.320 152 HD2 TYR 2 HD2 TYR 2 14.561 2.517 7.710 153 HE1 TYR 2 HE1 TYR 2 12.851 6.034 10.697 154 HE2 TYR 2 HE2 TYR 2 15.200 2.525 10.085 155 HH TYR 2 HH TYR 2 13.659 4.060 12.400 156 H GLU 3 H GLU 3 14.228 6.891 7.146 157 HA GLU 3 HA GLU 3 12.339 8.740 6.381 158 HB2 GLU 3 HB2 GLU 3 13.977 10.453 7.381 159 HB3 GLU 3 HB3 GLU 3 13.399 9.159 8.421 160 HG2 GLU 3 HG2 GLU 3 15.435 8.059 8.406 161 HG3 GLU 3 HG3 GLU 3 15.968 8.857 6.927 162 H ILE 4 H ILE 4 15.322 7.951 4.837 163 HA ILE 4 HA ILE 4 15.608 10.366 3.341 164 HB ILE 4 HB ILE 4 17.272 9.183 2.036 165 HG12 ILE 4 HG12 ILE 4 17.628 6.688 2.978 166 HG13 ILE 4 HG13 ILE 4 15.880 6.807 3.152 167 HG21 ILE 4 HG21 ILE 4 17.311 8.752 5.003 168 HG22 ILE 4 HG22 ILE 4 18.669 8.268 3.988 169 HG23 ILE 4 HG23 ILE 4 18.169 9.958 4.044 170 HD11 ILE 4 HD11 ILE 4 16.276 7.759 0.624 171 HD12 ILE 4 HD12 ILE 4 17.509 6.505 0.760 172 HD13 ILE 4 HD13 ILE 4 15.814 6.109 1.042 173 H THR 5 H THR 5 13.411 7.856 3.155 174 HA THR 5 HA THR 5 12.838 8.465 0.329 175 HB THR 5 HB THR 5 13.581 6.153 0.527 176 HG1 THR 5 HG1 THR 5 12.098 5.769 -0.921 177 HG21 THR 5 HG21 THR 5 11.558 6.091 2.722 178 HG22 THR 5 HG22 THR 5 13.185 5.412 2.673 179 HG23 THR 5 HG23 THR 5 11.871 4.621 1.801 180 H THR 6 H THR 6 11.744 8.571 3.519 181 HA THR 6 HA THR 6 8.948 8.880 2.642 182 HB THR 6 HB THR 6 8.417 7.498 4.307 183 HG1 THR 6 HG1 THR 6 9.629 9.298 6.145 184 HG21 THR 6 HG21 THR 6 10.589 6.479 4.255 185 HG22 THR 6 HG22 THR 6 10.121 6.676 5.945 186 HG23 THR 6 HG23 THR 6 11.279 7.787 5.215 187 H ILE 7 H ILE 7 11.654 10.569 3.618 188 HA ILE 7 HA ILE 7 10.018 12.814 4.604 189 HB ILE 7 HB ILE 7 12.960 12.436 5.142 190 HG12 ILE 7 HG12 ILE 7 11.652 10.584 6.138 191 HG13 ILE 7 HG13 ILE 7 12.361 11.633 7.361 192 HG21 ILE 7 HG21 ILE 7 12.337 14.705 5.374 193 HG22 ILE 7 HG22 ILE 7 10.850 14.285 6.222 194 HG23 ILE 7 HG23 ILE 7 12.410 14.047 7.008 195 HD11 ILE 7 HD11 ILE 7 9.930 10.832 7.639 196 HD12 ILE 7 HD12 ILE 7 10.315 12.524 7.959 197 HD13 ILE 7 HD13 ILE 7 9.555 12.065 6.436 198 H HIS 8 H HIS 8 12.461 11.760 2.361 199 HA HIS 8 HA HIS 8 12.602 14.477 1.235 200 HB2 HIS 8 HB2 HIS 8 14.629 12.566 1.813 201 HB3 HIS 8 HB3 HIS 8 14.551 12.749 0.063 202 HD1 HIS 8 HD1 HIS 8 15.304 14.989 -0.927 203 HD2 HIS 8 HD2 HIS 8 15.451 14.865 3.223 204 HE1 HIS 8 HE1 HIS 8 16.601 17.031 -0.240 205 H ASN 9 H ASN 9 11.130 11.546 0.799 206 HA ASN 9 HA ASN 9 10.853 12.004 -2.099 207 HB2 ASN 9 HB2 ASN 9 11.521 9.582 -0.620 208 HB3 ASN 9 HB3 ASN 9 10.131 9.357 -1.677 209 HD21 ASN 9 HD21 ASN 9 10.382 9.605 -3.904 210 HD22 ASN 9 HD22 ASN 9 11.938 9.556 -4.655 211 H LEU 10 H LEU 10 9.293 12.886 0.357 212 HA LEU 10 HA LEU 10 6.673 11.848 -0.504 213 HB2 LEU 10 HB2 LEU 10 5.924 11.730 1.642 214 HB3 LEU 10 HB3 LEU 10 7.630 11.370 1.896 215 HG LEU 10 HG LEU 10 6.435 14.112 2.262 216 HD11 LEU 10 HD11 LEU 10 7.195 12.860 4.712 217 HD12 LEU 10 HD12 LEU 10 6.036 11.833 3.870 218 HD13 LEU 10 HD13 LEU 10 5.626 13.508 4.234 219 HD21 LEU 10 HD21 LEU 10 8.612 14.044 3.812 220 HD22 LEU 10 HD22 LEU 10 8.654 14.547 2.123 221 HD23 LEU 10 HD23 LEU 10 9.118 12.904 2.565 222 H PHE 11 H PHE 11 8.658 14.594 0.071 223 HA PHE 11 HA PHE 11 6.928 16.660 0.522 224 HB2 PHE 11 HB2 PHE 11 9.543 16.367 -0.742 225 HB3 PHE 11 HB3 PHE 11 8.623 17.718 -1.397 226 HD1 PHE 11 HD1 PHE 11 9.962 19.471 -0.536 227 HD2 PHE 11 HD2 PHE 11 8.373 16.506 2.072 228 HE1 PHE 11 HE1 PHE 11 10.597 20.842 1.406 229 HE2 PHE 11 HE2 PHE 11 9.004 17.873 4.018 230 HZ PHE 11 HZ PHE 11 10.117 20.045 3.686 231 H ARG 12 H ARG 12 7.290 14.780 -2.386 232 HA ARG 12 HA ARG 12 5.875 16.566 -4.106 233 HB2 ARG 12 HB2 ARG 12 6.377 13.598 -4.398 234 HB3 ARG 12 HB3 ARG 12 5.819 14.676 -5.671 235 HG2 ARG 12 HG2 ARG 12 8.396 15.222 -4.262 236 HG3 ARG 12 HG3 ARG 12 8.317 14.023 -5.554 237 HD2 ARG 12 HD2 ARG 12 7.021 16.056 -6.738 238 HD3 ARG 12 HD3 ARG 12 8.087 16.967 -5.669 239 HE ARG 12 HE ARG 12 9.848 16.386 -7.002 240 HH11 ARG 12 HH11 ARG 12 7.180 14.251 -7.665 241 HH12 ARG 12 HH12 ARG 12 7.957 13.487 -9.013 242 HH21 ARG 12 HH21 ARG 12 10.883 15.387 -8.773 243 HH22 ARG 12 HH22 ARG 12 10.063 14.133 -9.641 244 H LYS 13 H LYS 13 4.985 13.579 -2.396 245 HA LYS 13 HA LYS 13 2.159 14.355 -2.708 246 HB2 LYS 13 HB2 LYS 13 3.031 12.275 -4.002 247 HB3 LYS 13 HB3 LYS 13 3.024 11.492 -2.427 248 HG2 LYS 13 HG2 LYS 13 0.586 12.273 -2.270 249 HG3 LYS 13 HG3 LYS 13 0.712 12.550 -4.009 250 HD2 LYS 13 HD2 LYS 13 1.337 9.929 -2.653 251 HD3 LYS 13 HD3 LYS 13 -0.215 10.318 -3.402 252 HE2 LYS 13 HE2 LYS 13 1.003 10.727 -5.539 253 HE3 LYS 13 HE3 LYS 13 2.473 10.147 -4.759 254 HZ1 LYS 13 HZ1 LYS 13 0.486 8.641 -6.000 255 HZ2 LYS 13 HZ2 LYS 13 0.419 8.273 -4.350 256 HZ3 LYS 13 HZ3 LYS 13 1.867 8.080 -5.202 257 H LEU 14 H LEU 14 3.208 15.417 -0.592 258 HA LEU 14 HA LEU 14 3.817 14.363 1.734 259 HB2 LEU 14 HB2 LEU 14 2.238 16.602 0.951 260 HB3 LEU 14 HB3 LEU 14 1.506 15.871 2.380 261 HG LEU 14 HG LEU 14 3.882 16.010 3.387 262 HD11 LEU 14 HD11 LEU 14 4.637 16.779 0.943 263 HD12 LEU 14 HD12 LEU 14 5.468 17.294 2.411 264 HD13 LEU 14 HD13 LEU 14 4.293 18.360 1.642 265 HD21 LEU 14 HD21 LEU 14 3.448 18.540 3.827 266 HD22 LEU 14 HD22 LEU 14 2.303 17.335 4.417 267 HD23 LEU 14 HD23 LEU 14 1.949 18.243 2.947 268 H THR 15 H THR 15 3.331 12.385 2.455 269 HA THR 15 HA THR 15 0.681 11.275 2.186 270 HB THR 15 HB THR 15 1.835 9.441 3.705 271 HG1 THR 15 HG1 THR 15 3.713 11.011 3.883 272 HG21 THR 15 HG21 THR 15 1.222 9.522 1.147 273 HG22 THR 15 HG22 THR 15 2.264 8.250 1.783 274 HG23 THR 15 HG23 THR 15 2.970 9.637 0.953 275 H HIS 16 H HIS 16 -0.913 11.558 3.590 276 HA HIS 16 HA HIS 16 -0.738 13.050 5.928 277 HB2 HIS 16 HB2 HIS 16 -2.763 11.278 4.696 278 HB3 HIS 16 HB3 HIS 16 -2.940 11.560 6.426 279 HD1 HIS 16 HD1 HIS 16 -3.680 13.888 7.175 280 HD2 HIS 16 HD2 HIS 16 -3.135 13.560 3.069 281 HE1 HIS 16 HE1 HIS 16 -4.676 15.980 6.195 282 H ARG 17 H ARG 17 -1.662 9.621 6.001 283 HA ARG 17 HA ARG 17 0.070 9.300 8.364 284 HB2 ARG 17 HB2 ARG 17 -2.763 8.737 7.978 285 HB3 ARG 17 HB3 ARG 17 -1.876 7.329 8.550 286 HG2 ARG 17 HG2 ARG 17 -1.902 8.137 10.605 287 HG3 ARG 17 HG3 ARG 17 -1.035 9.576 10.065 288 HD2 ARG 17 HD2 ARG 17 -3.372 10.360 9.249 289 HD3 ARG 17 HD3 ARG 17 -3.979 9.138 10.366 290 HE ARG 17 HE ARG 17 -2.197 10.614 11.830 291 HH11 ARG 17 HH11 ARG 17 -5.071 11.297 9.989 292 HH12 ARG 17 HH12 ARG 17 -5.536 12.648 10.968 293 HH21 ARG 17 HH21 ARG 17 -2.796 12.392 13.127 294 HH22 ARG 17 HH22 ARG 17 -4.240 13.271 12.753 295 H LEU 18 H LEU 18 -0.491 8.352 5.213 296 HA LEU 18 HA LEU 18 -0.041 5.626 5.144 297 HB2 LEU 18 HB2 LEU 18 0.952 7.740 3.238 298 HB3 LEU 18 HB3 LEU 18 0.936 6.010 2.902 299 HG LEU 18 HG LEU 18 -1.547 7.624 3.462 300 HD11 LEU 18 HD11 LEU 18 -1.342 6.775 0.751 301 HD12 LEU 18 HD12 LEU 18 0.095 7.708 1.168 302 HD13 LEU 18 HD13 LEU 18 -1.508 8.409 1.392 303 HD21 LEU 18 HD21 LEU 18 -2.204 5.472 3.809 304 HD22 LEU 18 HD22 LEU 18 -0.953 4.800 2.761 305 HD23 LEU 18 HD23 LEU 18 -2.391 5.543 2.057 306 H PHE 19 H PHE 19 2.125 8.161 6.002 307 HA PHE 19 HA PHE 19 4.614 7.160 5.415 308 HB2 PHE 19 HB2 PHE 19 4.531 9.298 6.406 309 HB3 PHE 19 HB3 PHE 19 3.612 8.715 7.789 310 HD1 PHE 19 HD1 PHE 19 4.945 9.329 9.597 311 HD2 PHE 19 HD2 PHE 19 6.685 7.259 6.310 312 HE1 PHE 19 HE1 PHE 19 7.034 9.065 10.872 313 HE2 PHE 19 HE2 PHE 19 8.774 6.991 7.579 314 HZ PHE 19 HZ PHE 19 8.951 7.894 9.863 315 H ARG 20 H ARG 20 2.883 6.608 8.487 316 HA ARG 20 HA ARG 20 4.521 4.200 8.884 317 HB2 ARG 20 HB2 ARG 20 3.936 4.370 11.248 318 HB3 ARG 20 HB3 ARG 20 4.650 5.871 10.676 319 HG2 ARG 20 HG2 ARG 20 2.921 6.889 11.630 320 HG3 ARG 20 HG3 ARG 20 1.955 6.272 10.288 321 HD2 ARG 20 HD2 ARG 20 0.856 5.701 12.341 322 HD3 ARG 20 HD3 ARG 20 1.511 4.226 11.629 323 HE ARG 20 HE ARG 20 3.428 5.184 13.382 324 HH11 ARG 20 HH11 ARG 20 0.145 4.035 13.534 325 HH12 ARG 20 HH12 ARG 20 0.298 3.417 15.145 326 HH21 ARG 20 HH21 ARG 20 3.642 4.375 15.504 327 HH22 ARG 20 HH22 ARG 20 2.287 3.612 16.266 328 H ARG 21 H ARG 21 1.269 5.366 8.505 329 HA ARG 21 HA ARG 21 -0.055 3.010 9.406 330 HB2 ARG 21 HB2 ARG 21 -0.938 5.470 8.991 331 HB3 ARG 21 HB3 ARG 21 -1.307 4.828 7.396 332 HG2 ARG 21 HG2 ARG 21 -3.170 3.937 8.181 333 HG3 ARG 21 HG3 ARG 21 -2.235 2.965 9.321 334 HD2 ARG 21 HD2 ARG 21 -2.617 4.382 11.054 335 HD3 ARG 21 HD3 ARG 21 -2.660 5.809 10.019 336 HE ARG 21 HE ARG 21 -4.926 5.574 9.870 337 HH11 ARG 21 HH11 ARG 21 -3.553 2.563 10.952 338 HH12 ARG 21 HH12 ARG 21 -5.090 1.820 11.251 339 HH21 ARG 21 HH21 ARG 21 -6.954 4.606 10.258 340 HH22 ARG 21 HH22 ARG 21 -7.024 2.982 10.854 341 H ASN 22 H ASN 22 1.640 3.809 6.562 342 HA ASN 22 HA ASN 22 0.521 1.442 5.209 343 HB2 ASN 22 HB2 ASN 22 0.162 3.877 4.226 344 HB3 ASN 22 HB3 ASN 22 1.797 3.628 3.622 345 HD21 ASN 22 HD21 ASN 22 2.105 1.431 2.549 346 HD22 ASN 22 HD22 ASN 22 0.857 0.942 1.459 347 H PHE 23 H PHE 23 3.393 3.557 5.270 348 HA PHE 23 HA PHE 23 5.066 1.300 4.486 349 HB2 PHE 23 HB2 PHE 23 5.651 4.245 4.821 350 HB3 PHE 23 HB3 PHE 23 6.879 3.052 4.414 351 HD1 PHE 23 HD1 PHE 23 6.772 1.857 2.256 352 HD2 PHE 23 HD2 PHE 23 4.124 5.053 3.198 353 HE1 PHE 23 HE1 PHE 23 6.212 2.092 -0.129 354 HE2 PHE 23 HE2 PHE 23 3.558 5.292 0.817 355 HZ PHE 23 HZ PHE 23 4.602 3.810 -0.851 356 H GLY 24 H GLY 24 3.763 1.929 7.244 357 HA2 GLY 24 HA2 GLY 24 6.240 1.697 8.835 358 HA3 GLY 24 HA3 GLY 24 4.726 2.346 9.446 359 H TYR 25 H TYR 25 3.291 0.122 7.962 360 HA TYR 25 HA TYR 25 3.295 -1.730 10.161 361 HB2 TYR 25 HB2 TYR 25 1.625 -1.207 7.793 362 HB3 TYR 25 HB3 TYR 25 1.715 -2.900 8.267 363 HD1 TYR 25 HD1 TYR 25 1.585 0.268 10.248 364 HD2 TYR 25 HD2 TYR 25 -0.227 -3.480 9.372 365 HE1 TYR 25 HE1 TYR 25 -0.092 0.676 12.000 366 HE2 TYR 25 HE2 TYR 25 -1.910 -3.082 11.121 367 HH TYR 25 HH TYR 25 -2.311 -0.032 12.625 368 H THR 26 H THR 26 5.048 -1.446 7.297 369 HA THR 26 HA THR 26 5.526 -4.322 7.054 370 HB THR 26 HB THR 26 5.958 -1.982 5.277 371 HG1 THR 26 HG1 THR 26 4.315 -3.816 5.184 372 HG21 THR 26 HG21 THR 26 8.232 -2.774 5.459 373 HG22 THR 26 HG22 THR 26 7.574 -3.273 3.901 374 HG23 THR 26 HG23 THR 26 7.709 -4.440 5.215 375 H LEU 27 H LEU 27 7.441 -1.324 7.320 376 HA LEU 27 HA LEU 27 9.860 -2.711 7.916 377 HB2 LEU 27 HB2 LEU 27 9.208 -0.166 7.132 378 HB3 LEU 27 HB3 LEU 27 9.698 0.067 8.809 379 HG LEU 27 HG LEU 27 11.360 -1.099 6.576 380 HD11 LEU 27 HD11 LEU 27 11.245 1.275 6.409 381 HD12 LEU 27 HD12 LEU 27 12.806 0.866 7.118 382 HD13 LEU 27 HD13 LEU 27 11.503 1.469 8.143 383 HD21 LEU 27 HD21 LEU 27 11.938 -0.823 9.520 384 HD22 LEU 27 HD22 LEU 27 13.171 -1.119 8.294 385 HD23 LEU 27 HD23 LEU 27 11.895 -2.307 8.569 386 H ARG 28 H ARG 28 7.163 -2.451 9.701 387 HA ARG 28 HA ARG 28 7.907 -1.573 12.223 388 HB2 ARG 28 HB2 ARG 28 5.602 -2.290 11.427 389 HB3 ARG 28 HB3 ARG 28 6.112 -3.946 11.729 390 HG2 ARG 28 HG2 ARG 28 6.666 -2.328 14.028 391 HG3 ARG 28 HG3 ARG 28 4.979 -2.139 13.542 392 HD2 ARG 28 HD2 ARG 28 6.197 -4.864 13.698 393 HD3 ARG 28 HD3 ARG 28 5.657 -4.056 15.168 394 HE ARG 28 HE ARG 28 3.509 -3.840 13.565 395 HH11 ARG 28 HH11 ARG 28 5.526 -6.537 14.443 396 HH12 ARG 28 HH12 ARG 28 4.253 -7.705 14.295 397 HH21 ARG 28 HH21 ARG 28 1.825 -5.366 13.366 398 HH22 ARG 28 HH22 ARG 28 2.149 -7.037 13.682 Start of MODEL 14 1 H1 VAL 1 H VAL 1 -0.134 5.097 0.463 2 HA VAL 1 HA VAL 1 0.136 3.536 -1.201 3 HB VAL 1 HB VAL 1 1.359 5.596 -3.013 4 HG11 VAL 1 HG11 VAL 1 -0.203 3.054 -3.415 5 HG12 VAL 1 HG12 VAL 1 0.157 4.187 -4.720 6 HG13 VAL 1 HG13 VAL 1 1.471 3.381 -3.860 7 HG21 VAL 1 HG21 VAL 1 -0.565 6.755 -2.401 8 HG22 VAL 1 HG22 VAL 1 -1.063 5.878 -3.847 9 HG23 VAL 1 HG23 VAL 1 -1.523 5.282 -2.253 10 H ALA 2 H ALA 2 1.907 2.349 -2.241 11 HA ALA 2 HA ALA 2 4.444 2.889 -0.869 12 HB1 ALA 2 HB1 ALA 2 3.102 0.422 -1.847 13 HB2 ALA 2 HB2 ALA 2 4.864 0.448 -1.770 14 HB3 ALA 2 HB3 ALA 2 3.913 0.737 -0.313 15 H ARG 3 H ARG 3 4.555 4.634 -2.667 16 HA ARG 3 HA ARG 3 5.913 3.455 -5.003 17 HB2 ARG 3 HB2 ARG 3 4.958 6.193 -5.359 18 HB3 ARG 3 HB3 ARG 3 4.784 4.794 -6.410 19 HG2 ARG 3 HG2 ARG 3 2.894 4.017 -5.088 20 HG3 ARG 3 HG3 ARG 3 3.082 5.393 -4.000 21 HD2 ARG 3 HD2 ARG 3 1.463 6.221 -5.378 22 HD3 ARG 3 HD3 ARG 3 2.896 6.749 -6.259 23 HE ARG 3 HE ARG 3 2.084 4.182 -7.132 24 HH11 ARG 3 HH11 ARG 3 1.224 7.548 -7.336 25 HH12 ARG 3 HH12 ARG 3 0.452 7.392 -8.880 26 HH21 ARG 3 HH21 ARG 3 1.070 3.962 -9.163 27 HH22 ARG 3 HH22 ARG 3 0.364 5.351 -9.917 28 H GLY 4 H GLY 4 6.298 5.244 -2.217 29 HA2 GLY 4 HA2 GLY 4 8.451 6.923 -3.258 30 HA3 GLY 4 HA3 GLY 4 7.801 6.960 -1.626 31 H TRP 5 H TRP 5 8.168 3.797 -2.177 32 HA TRP 5 HA TRP 5 10.938 3.789 -1.170 33 HB2 TRP 5 HB2 TRP 5 8.514 2.257 -0.344 34 HB3 TRP 5 HB3 TRP 5 10.080 1.457 -0.234 35 HD1 TRP 5 HD1 TRP 5 10.138 5.158 0.460 36 HE1 TRP 5 HE1 TRP 5 10.468 5.554 2.981 37 HE3 TRP 5 HE3 TRP 5 9.463 0.372 2.128 38 HZ2 TRP 5 HZ2 TRP 5 10.446 4.038 5.362 39 HZ3 TRP 5 HZ3 TRP 5 9.635 -0.070 4.543 40 HH2 TRP 5 HH2 TRP 5 10.117 1.726 6.125 41 H LYS 6 H LYS 6 9.065 3.037 -3.778 42 HA LYS 6 HA LYS 6 10.861 0.848 -4.597 43 HB2 LYS 6 HB2 LYS 6 8.694 -0.083 -4.510 44 HB3 LYS 6 HB3 LYS 6 7.959 1.350 -5.215 45 HG2 LYS 6 HG2 LYS 6 9.922 0.129 -6.972 46 HG3 LYS 6 HG3 LYS 6 8.612 -0.972 -6.540 47 HD2 LYS 6 HD2 LYS 6 7.670 1.706 -7.187 48 HD3 LYS 6 HD3 LYS 6 8.540 0.947 -8.523 49 HE2 LYS 6 HE2 LYS 6 7.000 -0.732 -8.752 50 HE3 LYS 6 HE3 LYS 6 6.516 -0.666 -7.059 51 HZ1 LYS 6 HZ1 LYS 6 5.907 1.584 -8.858 52 HZ2 LYS 6 HZ2 LYS 6 5.120 1.112 -7.438 53 HZ3 LYS 6 HZ3 LYS 6 4.917 0.212 -8.856 54 H ARG 7 H ARG 7 9.272 3.837 -5.530 55 HA ARG 7 HA ARG 7 9.923 3.998 -8.206 56 HB2 ARG 7 HB2 ARG 7 8.523 5.652 -7.088 57 HB3 ARG 7 HB3 ARG 7 9.902 6.220 -6.156 58 HG2 ARG 7 HG2 ARG 7 9.445 7.747 -7.960 59 HG3 ARG 7 HG3 ARG 7 10.989 6.939 -8.242 60 HD2 ARG 7 HD2 ARG 7 9.109 5.301 -9.468 61 HD3 ARG 7 HD3 ARG 7 8.575 6.940 -9.843 62 HE ARG 7 HE ARG 7 11.319 6.803 -10.318 63 HH11 ARG 7 HH11 ARG 7 8.364 5.452 -11.567 64 HH12 ARG 7 HH12 ARG 7 8.979 5.259 -13.175 65 HH21 ARG 7 HH21 ARG 7 12.141 6.554 -12.431 66 HH22 ARG 7 HH22 ARG 7 11.127 5.885 -13.665 67 H LYS 8 H LYS 8 11.988 4.291 -5.429 68 HA LYS 8 HA LYS 8 14.240 5.050 -7.168 69 HB2 LYS 8 HB2 LYS 8 13.677 5.489 -4.257 70 HB3 LYS 8 HB3 LYS 8 15.339 5.462 -4.828 71 HG2 LYS 8 HG2 LYS 8 14.523 7.731 -4.718 72 HG3 LYS 8 HG3 LYS 8 14.823 7.273 -6.396 73 HD2 LYS 8 HD2 LYS 8 12.487 6.963 -6.801 74 HD3 LYS 8 HD3 LYS 8 12.111 7.144 -5.086 75 HE2 LYS 8 HE2 LYS 8 11.555 9.183 -6.245 76 HE3 LYS 8 HE3 LYS 8 12.939 9.472 -5.192 77 HZ1 LYS 8 HZ1 LYS 8 13.032 10.393 -7.547 78 HZ2 LYS 8 HZ2 LYS 8 13.290 8.799 -8.048 79 HZ3 LYS 8 HZ3 LYS 8 14.387 9.543 -6.996 80 H CYS 9 H CYS 9 15.420 3.374 -7.800 81 HA CYS 9 HA CYS 9 15.363 0.847 -6.490 82 HB2 CYS 9 HB2 CYS 9 16.754 2.008 -8.851 83 HB3 CYS 9 HB3 CYS 9 17.452 0.560 -8.134 84 HG CYS 9 HG CYS 9 14.693 0.906 -9.988 85 HA PRO 10 HA PRO 10 19.890 2.019 -5.225 86 HB2 PRO 10 HB2 PRO 10 20.572 4.638 -5.430 87 HB3 PRO 10 HB3 PRO 10 20.810 3.478 -6.742 88 HG2 PRO 10 HG2 PRO 10 18.612 5.473 -6.354 89 HG3 PRO 10 HG3 PRO 10 19.499 5.059 -7.832 90 HD2 PRO 10 HD2 PRO 10 17.027 4.093 -7.298 91 HD3 PRO 10 HD3 PRO 10 18.237 3.169 -8.210 92 H LEU 11 H LEU 11 17.080 2.716 -4.110 93 HA LEU 11 HA LEU 11 18.057 4.129 -1.716 94 HB2 LEU 11 HB2 LEU 11 15.476 4.359 -3.204 95 HB3 LEU 11 HB3 LEU 11 15.529 4.699 -1.475 96 HG LEU 11 HG LEU 11 16.824 6.196 -3.729 97 HD11 LEU 11 HD11 LEU 11 14.466 6.626 -2.711 98 HD12 LEU 11 HD12 LEU 11 15.547 7.982 -3.033 99 HD13 LEU 11 HD13 LEU 11 15.377 7.359 -1.391 100 HD21 LEU 11 HD21 LEU 11 18.626 5.971 -2.217 101 HD22 LEU 11 HD22 LEU 11 17.579 6.209 -0.817 102 HD23 LEU 11 HD23 LEU 11 17.920 7.557 -1.902 103 H PHE 12 H PHE 12 15.020 2.431 -2.405 104 HA PHE 12 HA PHE 12 15.664 0.569 -0.214 105 HB2 PHE 12 HB2 PHE 12 13.551 2.401 -0.344 106 HB3 PHE 12 HB3 PHE 12 12.821 0.839 -0.697 107 HD1 PHE 12 HD1 PHE 12 11.828 -0.095 1.137 108 HD2 PHE 12 HD2 PHE 12 15.474 2.042 1.641 109 HE1 PHE 12 HE1 PHE 12 11.804 -0.627 3.540 110 HE2 PHE 12 HE2 PHE 12 15.456 1.513 4.043 111 HZ PHE 12 HZ PHE 12 13.620 0.177 4.996 112 H GLY 13 H GLY 13 14.661 0.963 -3.470 113 HA2 GLY 13 HA2 GLY 13 13.310 -1.452 -3.929 114 HA3 GLY 13 HA3 GLY 13 14.195 -0.537 -5.142 115 H LYS 14 H LYS 14 16.558 -0.866 -5.216 116 HA LYS 14 HA LYS 14 17.146 -3.703 -4.915 117 HB2 LYS 14 HB2 LYS 14 19.037 -1.699 -6.101 118 HB3 LYS 14 HB3 LYS 14 18.853 -3.406 -6.481 119 HG2 LYS 14 HG2 LYS 14 16.694 -2.923 -7.543 120 HG3 LYS 14 HG3 LYS 14 16.918 -1.208 -7.190 121 HD2 LYS 14 HD2 LYS 14 17.582 -1.550 -9.450 122 HD3 LYS 14 HD3 LYS 14 19.057 -1.323 -8.508 123 HE2 LYS 14 HE2 LYS 14 19.283 -3.800 -8.393 124 HE3 LYS 14 HE3 LYS 14 17.903 -3.933 -9.480 125 HZ1 LYS 14 HZ1 LYS 14 20.224 -2.297 -10.253 126 HZ2 LYS 14 HZ2 LYS 14 19.093 -3.078 -11.238 127 HZ3 LYS 14 HZ3 LYS 14 20.283 -3.979 -10.440 128 H GLY 15 H GLY 15 17.746 -0.769 -3.295 129 HA2 GLY 15 HA2 GLY 15 20.292 -1.428 -2.168 130 HA3 GLY 15 HA3 GLY 15 19.207 -0.159 -1.619 131 H GLY 16 H GLY 16 16.971 -2.059 -1.267 132 HA2 GLY 16 HA2 GLY 16 17.503 -2.748 1.448 133 HA3 GLY 16 HA3 GLY 16 16.052 -3.148 0.541 134 H1 LYS 1 H LYS 1 17.655 3.878 6.624 135 HA LYS 1 HA LYS 1 17.624 6.087 4.687 136 HB2 LYS 1 HB2 LYS 1 19.213 3.889 4.717 137 HB3 LYS 1 HB3 LYS 1 17.889 3.308 3.715 138 HG2 LYS 1 HG2 LYS 1 18.426 4.650 1.988 139 HG3 LYS 1 HG3 LYS 1 18.933 5.977 3.037 140 HD2 LYS 1 HD2 LYS 1 20.682 3.670 3.263 141 HD3 LYS 1 HD3 LYS 1 20.591 4.278 1.608 142 HE2 LYS 1 HE2 LYS 1 22.373 5.436 2.647 143 HE3 LYS 1 HE3 LYS 1 21.029 6.574 2.556 144 HZ1 LYS 1 HZ1 LYS 1 21.866 6.802 4.704 145 HZ2 LYS 1 HZ2 LYS 1 22.056 5.136 4.925 146 HZ3 LYS 1 HZ3 LYS 1 20.507 5.815 4.908 147 H TYR 2 H TYR 2 15.308 5.152 6.269 148 HA TYR 2 HA TYR 2 13.565 4.349 4.031 149 HB2 TYR 2 HB2 TYR 2 12.156 3.671 6.296 150 HB3 TYR 2 HB3 TYR 2 13.083 2.555 5.299 151 HD1 TYR 2 HD1 TYR 2 15.304 1.802 6.012 152 HD2 TYR 2 HD2 TYR 2 12.948 4.356 8.466 153 HE1 TYR 2 HE1 TYR 2 16.747 1.276 7.934 154 HE2 TYR 2 HE2 TYR 2 14.384 3.839 10.394 155 HH TYR 2 HH TYR 2 15.919 1.893 11.076 156 H GLU 3 H GLU 3 13.489 5.956 7.215 157 HA GLU 3 HA GLU 3 11.084 7.293 6.939 158 HB2 GLU 3 HB2 GLU 3 12.090 8.982 8.535 159 HB3 GLU 3 HB3 GLU 3 12.128 7.306 9.065 160 HG2 GLU 3 HG2 GLU 3 14.524 7.597 7.750 161 HG3 GLU 3 HG3 GLU 3 14.310 9.152 8.551 162 H ILE 4 H ILE 4 14.330 8.397 6.010 163 HA ILE 4 HA ILE 4 13.473 10.904 4.996 164 HB ILE 4 HB ILE 4 15.784 10.594 5.631 165 HG12 ILE 4 HG12 ILE 4 14.951 11.924 3.426 166 HG13 ILE 4 HG13 ILE 4 16.608 11.962 4.018 167 HG21 ILE 4 HG21 ILE 4 15.789 8.481 3.492 168 HG22 ILE 4 HG22 ILE 4 17.268 9.189 4.140 169 HG23 ILE 4 HG23 ILE 4 16.175 8.304 5.204 170 HD11 ILE 4 HD11 ILE 4 16.233 11.527 1.537 171 HD12 ILE 4 HD12 ILE 4 17.340 10.455 2.396 172 HD13 ILE 4 HD13 ILE 4 15.701 9.918 2.026 173 H THR 5 H THR 5 13.085 7.782 3.824 174 HA THR 5 HA THR 5 13.048 8.585 1.015 175 HB THR 5 HB THR 5 12.173 5.856 1.667 176 HG1 THR 5 HG1 THR 5 14.430 5.264 2.121 177 HG21 THR 5 HG21 THR 5 13.666 7.301 -0.380 178 HG22 THR 5 HG22 THR 5 12.711 5.822 -0.508 179 HG23 THR 5 HG23 THR 5 14.388 5.745 0.033 180 H THR 6 H THR 6 10.926 8.090 3.663 181 HA THR 6 HA THR 6 8.604 8.186 1.848 182 HB THR 6 HB THR 6 8.303 6.184 2.990 183 HG1 THR 6 HG1 THR 6 6.534 7.752 3.315 184 HG21 THR 6 HG21 THR 6 9.842 5.866 4.616 185 HG22 THR 6 HG22 THR 6 8.544 6.415 5.676 186 HG23 THR 6 HG23 THR 6 9.785 7.548 5.142 187 H ILE 7 H ILE 7 10.419 9.967 3.986 188 HA ILE 7 HA ILE 7 8.128 11.650 4.757 189 HB ILE 7 HB ILE 7 10.877 11.494 6.000 190 HG12 ILE 7 HG12 ILE 7 8.179 10.699 7.117 191 HG13 ILE 7 HG13 ILE 7 9.365 9.570 6.473 192 HG21 ILE 7 HG21 ILE 7 8.515 13.263 6.565 193 HG22 ILE 7 HG22 ILE 7 9.778 12.961 7.757 194 HG23 ILE 7 HG23 ILE 7 10.180 13.731 6.223 195 HD11 ILE 7 HD11 ILE 7 10.780 11.039 8.340 196 HD12 ILE 7 HD12 ILE 7 9.199 10.790 9.082 197 HD13 ILE 7 HD13 ILE 7 10.146 9.405 8.538 198 H HIS 8 H HIS 8 10.829 11.469 2.733 199 HA HIS 8 HA HIS 8 10.738 14.381 2.283 200 HB2 HIS 8 HB2 HIS 8 12.985 12.684 2.845 201 HB3 HIS 8 HB3 HIS 8 13.159 13.362 1.229 202 HD1 HIS 8 HD1 HIS 8 14.529 15.405 1.308 203 HD2 HIS 8 HD2 HIS 8 12.125 15.042 4.678 204 HE1 HIS 8 HE1 HIS 8 15.004 17.447 2.696 205 H ASN 9 H ASN 9 9.844 11.487 1.048 206 HA ASN 9 HA ASN 9 10.519 11.996 -1.725 207 HB2 ASN 9 HB2 ASN 9 10.554 9.702 -1.174 208 HB3 ASN 9 HB3 ASN 9 9.027 9.801 -0.303 209 HD21 ASN 9 HD21 ASN 9 10.541 9.180 -3.266 210 HD22 ASN 9 HD22 ASN 9 9.119 8.966 -4.224 211 H LEU 10 H LEU 10 7.467 11.510 0.063 212 HA LEU 10 HA LEU 10 6.185 13.369 -1.831 213 HB2 LEU 10 HB2 LEU 10 4.144 12.101 -1.650 214 HB3 LEU 10 HB3 LEU 10 5.458 11.052 -2.176 215 HG LEU 10 HG LEU 10 4.888 11.098 0.727 216 HD11 LEU 10 HD11 LEU 10 3.004 9.923 -1.303 217 HD12 LEU 10 HD12 LEU 10 2.634 11.080 -0.026 218 HD13 LEU 10 HD13 LEU 10 3.060 9.419 0.386 219 HD21 LEU 10 HD21 LEU 10 5.602 9.021 -1.331 220 HD22 LEU 10 HD22 LEU 10 5.226 8.631 0.348 221 HD23 LEU 10 HD23 LEU 10 6.610 9.656 -0.030 222 H PHE 11 H PHE 11 7.115 12.887 1.312 223 HA PHE 11 HA PHE 11 4.858 14.153 2.598 224 HB2 PHE 11 HB2 PHE 11 7.317 12.807 3.442 225 HB3 PHE 11 HB3 PHE 11 6.929 14.218 4.420 226 HD1 PHE 11 HD1 PHE 11 6.435 13.020 6.419 227 HD2 PHE 11 HD2 PHE 11 4.386 12.117 2.799 228 HE1 PHE 11 HE1 PHE 11 4.795 11.690 7.683 229 HE2 PHE 11 HE2 PHE 11 2.743 10.787 4.057 230 HZ PHE 11 HZ PHE 11 2.944 10.573 6.502 231 H ARG 12 H ARG 12 7.213 15.297 0.655 232 HA ARG 12 HA ARG 12 8.244 17.532 2.000 233 HB2 ARG 12 HB2 ARG 12 8.767 18.411 -0.226 234 HB3 ARG 12 HB3 ARG 12 9.183 16.706 -0.102 235 HG2 ARG 12 HG2 ARG 12 6.649 16.567 -1.072 236 HG3 ARG 12 HG3 ARG 12 7.235 18.053 -1.822 237 HD2 ARG 12 HD2 ARG 12 9.016 15.674 -1.857 238 HD3 ARG 12 HD3 ARG 12 7.612 15.669 -2.924 239 HE ARG 12 HE ARG 12 9.175 18.075 -3.089 240 HH11 ARG 12 HH11 ARG 12 8.811 14.813 -4.253 241 HH12 ARG 12 HH12 ARG 12 9.643 15.113 -5.742 242 HH21 ARG 12 HH21 ARG 12 10.272 18.482 -5.046 243 HH22 ARG 12 HH22 ARG 12 10.475 17.199 -6.192 244 H LYS 13 H LYS 13 5.110 16.881 0.835 245 HA LYS 13 HA LYS 13 4.388 19.726 0.808 246 HB2 LYS 13 HB2 LYS 13 3.396 17.335 -0.550 247 HB3 LYS 13 HB3 LYS 13 2.108 18.307 0.150 248 HG2 LYS 13 HG2 LYS 13 4.054 19.927 -1.260 249 HG3 LYS 13 HG3 LYS 13 3.322 18.699 -2.296 250 HD2 LYS 13 HD2 LYS 13 1.111 19.482 -1.745 251 HD3 LYS 13 HD3 LYS 13 1.766 20.612 -0.557 252 HE2 LYS 13 HE2 LYS 13 1.543 22.062 -2.283 253 HE3 LYS 13 HE3 LYS 13 3.130 21.422 -2.706 254 HZ1 LYS 13 HZ1 LYS 13 1.795 19.708 -4.042 255 HZ2 LYS 13 HZ2 LYS 13 1.948 21.270 -4.671 256 HZ3 LYS 13 HZ3 LYS 13 0.512 20.801 -3.910 257 H LEU 14 H LEU 14 2.571 16.828 1.781 258 HA LEU 14 HA LEU 14 1.957 18.182 4.325 259 HB2 LEU 14 HB2 LEU 14 0.201 16.406 2.641 260 HB3 LEU 14 HB3 LEU 14 -0.202 16.935 4.273 261 HG LEU 14 HG LEU 14 0.340 18.942 2.116 262 HD11 LEU 14 HD11 LEU 14 -2.225 18.949 1.893 263 HD12 LEU 14 HD12 LEU 14 -2.134 17.305 2.522 264 HD13 LEU 14 HD13 LEU 14 -1.306 17.723 1.021 265 HD21 LEU 14 HD21 LEU 14 -1.253 18.915 4.672 266 HD22 LEU 14 HD22 LEU 14 -1.292 20.235 3.503 267 HD23 LEU 14 HD23 LEU 14 0.215 19.830 4.326 268 H THR 15 H THR 15 2.876 17.188 5.982 269 HA THR 15 HA THR 15 3.669 14.402 5.780 270 HB THR 15 HB THR 15 4.534 14.910 8.182 271 HG1 THR 15 HG1 THR 15 3.241 17.052 7.947 272 HG21 THR 15 HG21 THR 15 5.650 15.112 5.661 273 HG22 THR 15 HG22 THR 15 6.529 15.120 7.189 274 HG23 THR 15 HG23 THR 15 6.075 16.643 6.424 275 H HIS 16 H HIS 16 1.983 13.041 6.042 276 HA HIS 16 HA HIS 16 0.096 13.512 8.230 277 HB2 HIS 16 HB2 HIS 16 0.013 11.467 6.002 278 HB3 HIS 16 HB3 HIS 16 -1.260 11.752 7.185 279 HD1 HIS 16 HD1 HIS 16 -1.937 14.543 7.138 280 HD2 HIS 16 HD2 HIS 16 -0.605 12.669 3.677 281 HE1 HIS 16 HE1 HIS 16 -2.744 15.983 5.241 282 H ARG 17 H ARG 17 -0.045 10.320 7.564 283 HA ARG 17 HA ARG 17 1.862 9.617 9.699 284 HB2 ARG 17 HB2 ARG 17 -0.791 8.262 9.208 285 HB3 ARG 17 HB3 ARG 17 0.308 7.997 10.554 286 HG2 ARG 17 HG2 ARG 17 -1.210 9.342 11.572 287 HG3 ARG 17 HG3 ARG 17 -0.118 10.577 10.941 288 HD2 ARG 17 HD2 ARG 17 -1.650 11.363 9.503 289 HD3 ARG 17 HD3 ARG 17 -2.197 9.747 9.057 290 HE ARG 17 HE ARG 17 -3.337 11.477 11.054 291 HH11 ARG 17 HH11 ARG 17 -2.985 8.190 9.963 292 HH12 ARG 17 HH12 ARG 17 -4.426 7.637 10.749 293 HH21 ARG 17 HH21 ARG 17 -5.238 10.761 12.092 294 HH22 ARG 17 HH22 ARG 17 -5.707 9.100 11.959 295 H LEU 18 H LEU 18 1.190 9.294 6.504 296 HA LEU 18 HA LEU 18 1.395 6.637 5.837 297 HB2 LEU 18 HB2 LEU 18 2.897 8.799 4.387 298 HB3 LEU 18 HB3 LEU 18 2.216 7.316 3.722 299 HG LEU 18 HG LEU 18 0.699 9.743 4.672 300 HD11 LEU 18 HD11 LEU 18 0.984 10.425 2.581 301 HD12 LEU 18 HD12 LEU 18 0.012 9.049 2.060 302 HD13 LEU 18 HD13 LEU 18 1.769 8.911 2.131 303 HD21 LEU 18 HD21 LEU 18 -0.163 6.965 4.078 304 HD22 LEU 18 HD22 LEU 18 -1.189 8.287 3.521 305 HD23 LEU 18 HD23 LEU 18 -0.807 8.128 5.236 306 H PHE 19 H PHE 19 3.801 8.686 7.232 307 HA PHE 19 HA PHE 19 6.181 7.552 6.496 308 HB2 PHE 19 HB2 PHE 19 6.275 9.425 7.932 309 HB3 PHE 19 HB3 PHE 19 5.263 8.649 9.146 310 HD1 PHE 19 HD1 PHE 19 8.231 7.279 7.390 311 HD2 PHE 19 HD2 PHE 19 6.584 8.673 11.059 312 HE1 PHE 19 HE1 PHE 19 10.248 6.521 8.579 313 HE2 PHE 19 HE2 PHE 19 8.598 7.919 12.253 314 HZ PHE 19 HZ PHE 19 10.434 6.842 11.013 315 H ARG 20 H ARG 20 4.337 6.567 9.390 316 HA ARG 20 HA ARG 20 5.614 3.923 9.188 317 HB2 ARG 20 HB2 ARG 20 4.918 3.705 11.612 318 HB3 ARG 20 HB3 ARG 20 6.163 4.900 11.278 319 HG2 ARG 20 HG2 ARG 20 4.933 6.512 12.165 320 HG3 ARG 20 HG3 ARG 20 3.568 6.112 11.120 321 HD2 ARG 20 HD2 ARG 20 4.254 4.854 13.772 322 HD3 ARG 20 HD3 ARG 20 2.893 5.920 13.427 323 HE ARG 20 HE ARG 20 2.507 3.867 11.715 324 HH11 ARG 20 HH11 ARG 20 3.088 4.033 15.143 325 HH12 ARG 20 HH12 ARG 20 2.188 2.596 15.497 326 HH21 ARG 20 HH21 ARG 20 1.319 1.974 12.168 327 HH22 ARG 20 HH22 ARG 20 1.183 1.425 13.804 328 H ARG 21 H ARG 21 2.570 5.621 9.384 329 HA ARG 21 HA ARG 21 0.900 3.397 9.877 330 HB2 ARG 21 HB2 ARG 21 0.431 5.996 9.905 331 HB3 ARG 21 HB3 ARG 21 -0.057 5.706 8.241 332 HG2 ARG 21 HG2 ARG 21 -2.043 5.058 8.961 333 HG3 ARG 21 HG3 ARG 21 -1.281 3.711 9.809 334 HD2 ARG 21 HD2 ARG 21 -0.758 5.700 11.540 335 HD3 ARG 21 HD3 ARG 21 -2.261 6.299 10.840 336 HE ARG 21 HE ARG 21 -2.656 3.627 11.508 337 HH11 ARG 21 HH11 ARG 21 -1.997 6.649 13.105 338 HH12 ARG 21 HH12 ARG 21 -2.808 6.202 14.570 339 HH21 ARG 21 HH21 ARG 21 -3.727 3.026 13.430 340 HH22 ARG 21 HH22 ARG 21 -3.791 4.140 14.754 341 H ASN 22 H ASN 22 2.656 4.351 7.123 342 HA ASN 22 HA ASN 22 1.136 2.441 5.472 343 HB2 ASN 22 HB2 ASN 22 1.021 4.959 4.849 344 HB3 ASN 22 HB3 ASN 22 2.673 4.735 4.281 345 HD21 ASN 22 HD21 ASN 22 3.043 3.142 2.627 346 HD22 ASN 22 HD22 ASN 22 1.791 2.778 1.495 347 H PHE 23 H PHE 23 4.298 4.092 5.617 348 HA PHE 23 HA PHE 23 5.576 1.760 4.438 349 HB2 PHE 23 HB2 PHE 23 6.585 4.511 5.161 350 HB3 PHE 23 HB3 PHE 23 7.641 3.231 4.573 351 HD1 PHE 23 HD1 PHE 23 7.204 2.261 2.291 352 HD2 PHE 23 HD2 PHE 23 5.327 5.817 3.683 353 HE1 PHE 23 HE1 PHE 23 6.666 2.880 -0.029 354 HE2 PHE 23 HE2 PHE 23 4.785 6.441 1.366 355 HZ PHE 23 HZ PHE 23 5.452 4.972 -0.493 356 H GLY 24 H GLY 24 4.488 2.159 7.343 357 HA2 GLY 24 HA2 GLY 24 6.952 1.373 8.758 358 HA3 GLY 24 HA3 GLY 24 5.509 2.021 9.524 359 H TYR 25 H TYR 25 4.279 0.003 7.331 360 HA TYR 25 HA TYR 25 4.013 -2.146 9.291 361 HB2 TYR 25 HB2 TYR 25 2.267 -0.941 7.385 362 HB3 TYR 25 HB3 TYR 25 2.444 -2.641 6.966 363 HD1 TYR 25 HD1 TYR 25 1.199 -0.268 9.455 364 HD2 TYR 25 HD2 TYR 25 1.667 -4.384 8.482 365 HE1 TYR 25 HE1 TYR 25 -0.411 -0.862 11.217 366 HE2 TYR 25 HE2 TYR 25 0.056 -4.989 10.240 367 HH TYR 25 HH TYR 25 -1.135 -4.242 11.982 368 H THR 26 H THR 26 5.985 -1.435 6.756 369 HA THR 26 HA THR 26 6.145 -4.159 5.713 370 HB THR 26 HB THR 26 7.106 -1.509 4.789 371 HG1 THR 26 HG1 THR 26 5.674 -2.128 3.366 372 HG21 THR 26 HG21 THR 26 9.222 -2.673 4.969 373 HG22 THR 26 HG22 THR 26 8.755 -2.567 3.271 374 HG23 THR 26 HG23 THR 26 8.551 -4.082 4.149 375 H LEU 27 H LEU 27 8.324 -1.722 7.135 376 HA LEU 27 HA LEU 27 10.494 -3.524 7.456 377 HB2 LEU 27 HB2 LEU 27 11.609 -1.782 8.539 378 HB3 LEU 27 HB3 LEU 27 10.570 -0.988 7.357 379 HG LEU 27 HG LEU 27 10.419 0.336 9.279 380 HD11 LEU 27 HD11 LEU 27 8.067 -1.549 9.379 381 HD12 LEU 27 HD12 LEU 27 8.241 -0.175 8.286 382 HD13 LEU 27 HD13 LEU 27 8.116 0.092 10.024 383 HD21 LEU 27 HD21 LEU 27 10.591 -0.361 11.420 384 HD22 LEU 27 HD22 LEU 27 11.302 -1.788 10.665 385 HD23 LEU 27 HD23 LEU 27 9.605 -1.798 11.148 386 H ARG 28 H ARG 28 7.582 -3.504 8.954 387 HA ARG 28 HA ARG 28 8.535 -4.168 11.622 388 HB2 ARG 28 HB2 ARG 28 6.092 -3.197 10.511 389 HB3 ARG 28 HB3 ARG 28 5.758 -4.715 11.333 390 HG2 ARG 28 HG2 ARG 28 7.009 -3.744 13.316 391 HG3 ARG 28 HG3 ARG 28 6.911 -2.194 12.477 392 HD2 ARG 28 HD2 ARG 28 4.333 -3.191 12.344 393 HD3 ARG 28 HD3 ARG 28 4.878 -3.642 13.960 394 HE ARG 28 HE ARG 28 4.241 -1.020 13.037 395 HH11 ARG 28 HH11 ARG 28 6.283 -2.804 15.221 396 HH12 ARG 28 HH12 ARG 28 6.477 -1.482 16.325 397 HH21 ARG 28 HH21 ARG 28 4.489 0.726 14.482 398 HH22 ARG 28 HH22 ARG 28 5.456 0.524 15.904 Start of MODEL 15 1 H1 VAL 1 H VAL 1 1.586 -2.396 -1.722 2 HA VAL 1 HA VAL 1 2.290 -0.636 -2.985 3 HB VAL 1 HB VAL 1 1.132 1.086 -0.790 4 HG11 VAL 1 HG11 VAL 1 1.801 1.572 -3.681 5 HG12 VAL 1 HG12 VAL 1 0.696 2.608 -2.775 6 HG13 VAL 1 HG13 VAL 1 2.375 2.444 -2.261 7 HG21 VAL 1 HG21 VAL 1 -0.681 -0.232 -1.308 8 HG22 VAL 1 HG22 VAL 1 -0.857 1.062 -2.493 9 HG23 VAL 1 HG23 VAL 1 -0.160 -0.486 -2.973 10 H ALA 2 H ALA 2 4.472 -0.686 -2.992 11 HA ALA 2 HA ALA 2 5.859 0.820 -0.870 12 HB1 ALA 2 HB1 ALA 2 7.767 -0.628 -1.123 13 HB2 ALA 2 HB2 ALA 2 6.334 -1.607 -0.813 14 HB3 ALA 2 HB3 ALA 2 6.984 -1.489 -2.449 15 H ARG 3 H ARG 3 5.378 2.665 -2.332 16 HA ARG 3 HA ARG 3 7.256 2.789 -4.597 17 HB2 ARG 3 HB2 ARG 3 5.770 4.829 -5.214 18 HB3 ARG 3 HB3 ARG 3 5.168 3.206 -5.524 19 HG2 ARG 3 HG2 ARG 3 3.819 3.290 -3.514 20 HG3 ARG 3 HG3 ARG 3 4.468 4.884 -3.124 21 HD2 ARG 3 HD2 ARG 3 2.366 5.280 -4.112 22 HD3 ARG 3 HD3 ARG 3 3.554 5.645 -5.363 23 HE ARG 3 HE ARG 3 2.906 3.031 -5.788 24 HH11 ARG 3 HH11 ARG 3 1.102 5.999 -5.548 25 HH12 ARG 3 HH12 ARG 3 -0.149 5.478 -6.628 26 HH21 ARG 3 HH21 ARG 3 1.265 2.335 -7.211 27 HH22 ARG 3 HH22 ARG 3 -0.056 3.393 -7.572 28 H GLY 4 H GLY 4 6.439 4.101 -1.524 29 HA2 GLY 4 HA2 GLY 4 7.801 6.604 -1.832 30 HA3 GLY 4 HA3 GLY 4 7.251 5.895 -0.321 31 H TRP 5 H TRP 5 8.904 3.445 -1.481 32 HA TRP 5 HA TRP 5 11.477 4.404 -0.407 33 HB2 TRP 5 HB2 TRP 5 10.000 1.827 0.004 34 HB3 TRP 5 HB3 TRP 5 11.756 1.860 0.133 35 HD1 TRP 5 HD1 TRP 5 10.556 5.083 1.366 36 HE1 TRP 5 HE1 TRP 5 10.429 5.106 3.937 37 HE3 TRP 5 HE3 TRP 5 10.980 0.065 2.245 38 HZ2 TRP 5 HZ2 TRP 5 10.499 3.244 6.057 39 HZ3 TRP 5 HZ3 TRP 5 10.941 -0.732 4.573 40 HH2 TRP 5 HH2 TRP 5 10.707 0.826 6.438 41 H LYS 6 H LYS 6 9.861 3.074 -3.067 42 HA LYS 6 HA LYS 6 12.428 2.334 -4.310 43 HB2 LYS 6 HB2 LYS 6 9.683 1.157 -4.759 44 HB3 LYS 6 HB3 LYS 6 11.067 0.825 -5.791 45 HG2 LYS 6 HG2 LYS 6 11.937 -0.641 -4.350 46 HG3 LYS 6 HG3 LYS 6 11.594 0.385 -2.954 47 HD2 LYS 6 HD2 LYS 6 9.379 -0.416 -2.786 48 HD3 LYS 6 HD3 LYS 6 9.446 -1.159 -4.387 49 HE2 LYS 6 HE2 LYS 6 11.475 -2.102 -2.479 50 HE3 LYS 6 HE3 LYS 6 9.809 -2.493 -2.053 51 HZ1 LYS 6 HZ1 LYS 6 11.127 -3.132 -4.638 52 HZ2 LYS 6 HZ2 LYS 6 9.530 -3.510 -4.226 53 HZ3 LYS 6 HZ3 LYS 6 10.812 -4.234 -3.393 54 H ARG 7 H ARG 7 9.123 3.413 -5.105 55 HA ARG 7 HA ARG 7 9.697 4.363 -7.672 56 HB2 ARG 7 HB2 ARG 7 7.424 4.033 -6.358 57 HB3 ARG 7 HB3 ARG 7 7.642 5.742 -6.001 58 HG2 ARG 7 HG2 ARG 7 6.541 6.064 -7.916 59 HG3 ARG 7 HG3 ARG 7 8.088 5.695 -8.680 60 HD2 ARG 7 HD2 ARG 7 7.458 3.392 -8.964 61 HD3 ARG 7 HD3 ARG 7 5.977 3.642 -8.039 62 HE ARG 7 HE ARG 7 5.834 5.410 -10.133 63 HH11 ARG 7 HH11 ARG 7 6.158 1.963 -9.782 64 HH12 ARG 7 HH12 ARG 7 5.336 1.603 -11.264 65 HH21 ARG 7 HH21 ARG 7 4.749 4.950 -12.086 66 HH22 ARG 7 HH22 ARG 7 4.536 3.303 -12.574 67 H LYS 8 H LYS 8 9.413 6.199 -4.626 68 HA LYS 8 HA LYS 8 10.150 8.687 -5.643 69 HB2 LYS 8 HB2 LYS 8 10.123 7.433 -2.947 70 HB3 LYS 8 HB3 LYS 8 11.050 8.915 -3.135 71 HG2 LYS 8 HG2 LYS 8 8.748 9.302 -2.350 72 HG3 LYS 8 HG3 LYS 8 9.097 10.104 -3.883 73 HD2 LYS 8 HD2 LYS 8 7.968 7.378 -4.059 74 HD3 LYS 8 HD3 LYS 8 6.888 8.632 -3.445 75 HE2 LYS 8 HE2 LYS 8 8.352 9.565 -5.748 76 HE3 LYS 8 HE3 LYS 8 7.493 8.070 -6.114 77 HZ1 LYS 8 HZ1 LYS 8 6.384 10.497 -6.217 78 HZ2 LYS 8 HZ2 LYS 8 5.965 10.041 -4.643 79 HZ3 LYS 8 HZ3 LYS 8 5.509 9.073 -5.953 80 H CYS 9 H CYS 9 12.283 6.868 -3.464 81 HA CYS 9 HA CYS 9 14.542 7.597 -5.212 82 HB2 CYS 9 HB2 CYS 9 14.420 8.849 -3.020 83 HB3 CYS 9 HB3 CYS 9 14.674 7.310 -2.207 84 HG CYS 9 HG CYS 9 17.008 9.097 -2.499 85 HA PRO 10 HA PRO 10 14.911 3.142 -5.362 86 HB2 PRO 10 HB2 PRO 10 16.948 3.122 -7.156 87 HB3 PRO 10 HB3 PRO 10 15.263 3.391 -7.619 88 HG2 PRO 10 HG2 PRO 10 17.453 5.387 -7.189 89 HG3 PRO 10 HG3 PRO 10 16.233 5.324 -8.475 90 HD2 PRO 10 HD2 PRO 10 16.009 6.968 -6.336 91 HD3 PRO 10 HD3 PRO 10 14.599 6.257 -7.145 92 H LEU 11 H LEU 11 16.124 4.624 -3.189 93 HA LEU 11 HA LEU 11 18.818 3.462 -3.065 94 HB2 LEU 11 HB2 LEU 11 19.395 5.071 -1.518 95 HB3 LEU 11 HB3 LEU 11 18.297 5.944 -2.585 96 HG LEU 11 HG LEU 11 17.724 6.621 -0.414 97 HD11 LEU 11 HD11 LEU 11 15.475 5.997 -0.220 98 HD12 LEU 11 HD12 LEU 11 15.770 4.391 -0.884 99 HD13 LEU 11 HD13 LEU 11 15.845 5.807 -1.934 100 HD21 LEU 11 HD21 LEU 11 17.199 3.956 0.716 101 HD22 LEU 11 HD22 LEU 11 17.900 5.391 1.463 102 HD23 LEU 11 HD23 LEU 11 18.899 4.347 0.452 103 H PHE 12 H PHE 12 15.701 2.785 -2.157 104 HA PHE 12 HA PHE 12 16.616 1.146 0.115 105 HB2 PHE 12 HB2 PHE 12 14.825 3.140 0.351 106 HB3 PHE 12 HB3 PHE 12 13.736 1.829 -0.089 107 HD1 PHE 12 HD1 PHE 12 16.073 3.083 2.434 108 HD2 PHE 12 HD2 PHE 12 13.340 -0.013 1.404 109 HE1 PHE 12 HE1 PHE 12 16.087 2.299 4.767 110 HE2 PHE 12 HE2 PHE 12 13.349 -0.802 3.734 111 HZ PHE 12 HZ PHE 12 14.724 0.355 5.419 112 H GLY 13 H GLY 13 15.151 1.218 -2.964 113 HA2 GLY 13 HA2 GLY 13 13.775 -1.313 -2.706 114 HA3 GLY 13 HA3 GLY 13 13.957 -0.367 -4.175 115 H LYS 14 H LYS 14 16.351 -0.262 -4.935 116 HA LYS 14 HA LYS 14 17.133 -2.926 -5.535 117 HB2 LYS 14 HB2 LYS 14 18.845 -1.966 -6.872 118 HB3 LYS 14 HB3 LYS 14 17.455 -0.898 -7.010 119 HG2 LYS 14 HG2 LYS 14 18.589 0.419 -5.090 120 HG3 LYS 14 HG3 LYS 14 20.039 -0.462 -5.577 121 HD2 LYS 14 HD2 LYS 14 19.271 0.358 -7.980 122 HD3 LYS 14 HD3 LYS 14 18.497 1.626 -7.027 123 HE2 LYS 14 HE2 LYS 14 20.635 2.452 -7.591 124 HE3 LYS 14 HE3 LYS 14 20.738 1.961 -5.900 125 HZ1 LYS 14 HZ1 LYS 14 21.499 -0.279 -7.101 126 HZ2 LYS 14 HZ2 LYS 14 22.583 0.932 -6.634 127 HZ3 LYS 14 HZ3 LYS 14 22.053 0.845 -8.238 128 H GLY 15 H GLY 15 18.138 -0.577 -3.156 129 HA2 GLY 15 HA2 GLY 15 20.573 -1.929 -2.453 130 HA3 GLY 15 HA3 GLY 15 19.810 -0.622 -1.560 131 H GLY 16 H GLY 16 17.988 -1.169 -0.165 132 HA2 GLY 16 HA2 GLY 16 18.419 -3.800 1.060 133 HA3 GLY 16 HA3 GLY 16 17.667 -2.414 1.836 134 H1 LYS 1 H LYS 1 18.528 3.219 5.723 135 HA LYS 1 HA LYS 1 17.534 5.770 6.812 136 HB2 LYS 1 HB2 LYS 1 18.572 5.224 4.026 137 HB3 LYS 1 HB3 LYS 1 18.097 6.787 4.677 138 HG2 LYS 1 HG2 LYS 1 20.417 5.106 5.603 139 HG3 LYS 1 HG3 LYS 1 20.509 6.574 4.627 140 HD2 LYS 1 HD2 LYS 1 19.110 7.529 6.694 141 HD3 LYS 1 HD3 LYS 1 19.981 6.238 7.525 142 HE2 LYS 1 HE2 LYS 1 21.925 7.345 7.429 143 HE3 LYS 1 HE3 LYS 1 21.677 7.806 5.745 144 HZ1 LYS 1 HZ1 LYS 1 21.778 9.720 7.254 145 HZ2 LYS 1 HZ2 LYS 1 20.408 9.151 8.069 146 HZ3 LYS 1 HZ3 LYS 1 20.293 9.623 6.449 147 H TYR 2 H TYR 2 15.411 5.091 7.146 148 HA TYR 2 HA TYR 2 13.905 4.409 4.708 149 HB2 TYR 2 HB2 TYR 2 12.250 3.778 6.831 150 HB3 TYR 2 HB3 TYR 2 13.214 2.637 5.899 151 HD1 TYR 2 HD1 TYR 2 15.251 1.692 6.810 152 HD2 TYR 2 HD2 TYR 2 12.968 4.502 9.045 153 HE1 TYR 2 HE1 TYR 2 16.503 1.088 8.839 154 HE2 TYR 2 HE2 TYR 2 14.215 3.906 11.080 155 HH TYR 2 HH TYR 2 16.812 2.783 11.384 156 H GLU 3 H GLU 3 13.533 6.042 7.855 157 HA GLU 3 HA GLU 3 11.192 7.414 7.344 158 HB2 GLU 3 HB2 GLU 3 12.022 9.083 9.020 159 HB3 GLU 3 HB3 GLU 3 12.100 7.412 9.555 160 HG2 GLU 3 HG2 GLU 3 14.511 7.402 8.889 161 HG3 GLU 3 HG3 GLU 3 14.372 9.138 8.612 162 H ILE 4 H ILE 4 14.525 8.448 6.685 163 HA ILE 4 HA ILE 4 13.792 10.950 5.555 164 HB ILE 4 HB ILE 4 16.338 9.423 5.023 165 HG12 ILE 4 HG12 ILE 4 16.904 11.281 6.980 166 HG13 ILE 4 HG13 ILE 4 15.328 10.672 7.472 167 HG21 ILE 4 HG21 ILE 4 17.208 11.833 4.927 168 HG22 ILE 4 HG22 ILE 4 16.257 11.243 3.565 169 HG23 ILE 4 HG23 ILE 4 15.513 12.294 4.771 170 HD11 ILE 4 HD11 ILE 4 16.602 9.151 8.535 171 HD12 ILE 4 HD12 ILE 4 16.552 8.353 6.963 172 HD13 ILE 4 HD13 ILE 4 17.950 9.330 7.411 173 H THR 5 H THR 5 13.300 7.879 4.439 174 HA THR 5 HA THR 5 13.624 8.591 1.612 175 HB THR 5 HB THR 5 12.991 5.916 2.875 176 HG1 THR 5 HG1 THR 5 15.143 5.440 2.276 177 HG21 THR 5 HG21 THR 5 12.022 6.136 0.631 178 HG22 THR 5 HG22 THR 5 13.364 4.991 0.642 179 HG23 THR 5 HG23 THR 5 13.596 6.616 -0.000 180 H THR 6 H THR 6 11.242 8.175 4.055 181 HA THR 6 HA THR 6 9.119 8.403 2.021 182 HB THR 6 HB THR 6 8.846 6.269 3.062 183 HG1 THR 6 HG1 THR 6 6.989 7.923 2.980 184 HG21 THR 6 HG21 THR 6 10.248 6.823 5.074 185 HG22 THR 6 HG22 THR 6 8.788 5.894 5.420 186 HG23 THR 6 HG23 THR 6 8.833 7.625 5.754 187 H ILE 7 H ILE 7 10.767 10.075 4.292 188 HA ILE 7 HA ILE 7 8.431 11.733 4.986 189 HB ILE 7 HB ILE 7 9.973 10.502 6.810 190 HG12 ILE 7 HG12 ILE 7 9.342 12.552 8.315 191 HG13 ILE 7 HG13 ILE 7 8.522 13.128 6.867 192 HG21 ILE 7 HG21 ILE 7 11.686 11.874 7.671 193 HG22 ILE 7 HG22 ILE 7 11.955 11.813 5.930 194 HG23 ILE 7 HG23 ILE 7 11.211 13.237 6.657 195 HD11 ILE 7 HD11 ILE 7 7.195 11.077 6.813 196 HD12 ILE 7 HD12 ILE 7 8.005 10.522 8.279 197 HD13 ILE 7 HD13 ILE 7 6.986 11.961 8.324 198 H HIS 8 H HIS 8 11.385 11.585 3.341 199 HA HIS 8 HA HIS 8 11.398 14.515 3.045 200 HB2 HIS 8 HB2 HIS 8 13.513 12.792 3.950 201 HB3 HIS 8 HB3 HIS 8 13.983 13.555 2.434 202 HD1 HIS 8 HD1 HIS 8 14.108 14.112 5.941 203 HD2 HIS 8 HD2 HIS 8 13.475 16.535 2.627 204 HE1 HIS 8 HE1 HIS 8 14.586 16.455 6.720 205 H ASN 9 H ASN 9 10.563 11.829 1.532 206 HA ASN 9 HA ASN 9 11.769 12.493 -1.055 207 HB2 ASN 9 HB2 ASN 9 10.391 10.060 0.036 208 HB3 ASN 9 HB3 ASN 9 10.491 10.308 -1.705 209 HD21 ASN 9 HD21 ASN 9 12.858 11.167 0.758 210 HD22 ASN 9 HD22 ASN 9 14.110 10.128 0.176 211 H LEU 10 H LEU 10 8.559 11.697 0.281 212 HA LEU 10 HA LEU 10 7.382 13.447 -1.779 213 HB2 LEU 10 HB2 LEU 10 5.580 12.015 -2.052 214 HB3 LEU 10 HB3 LEU 10 6.957 10.923 -1.923 215 HG LEU 10 HG LEU 10 5.099 11.559 0.364 216 HD11 LEU 10 HD11 LEU 10 3.918 9.574 -0.077 217 HD12 LEU 10 HD12 LEU 10 5.093 9.045 -1.281 218 HD13 LEU 10 HD13 LEU 10 4.027 10.407 -1.628 219 HD21 LEU 10 HD21 LEU 10 6.109 9.354 1.170 220 HD22 LEU 10 HD22 LEU 10 7.128 10.792 1.244 221 HD23 LEU 10 HD23 LEU 10 7.350 9.617 -0.054 222 H PHE 11 H PHE 11 7.961 13.073 1.465 223 HA PHE 11 HA PHE 11 5.493 14.133 2.487 224 HB2 PHE 11 HB2 PHE 11 7.762 12.872 3.579 225 HB3 PHE 11 HB3 PHE 11 7.711 14.479 4.294 226 HD1 PHE 11 HD1 PHE 11 6.922 14.255 6.445 227 HD2 PHE 11 HD2 PHE 11 4.985 12.145 3.297 228 HE1 PHE 11 HE1 PHE 11 5.192 13.497 8.023 229 HE2 PHE 11 HE2 PHE 11 3.251 11.385 4.869 230 HZ PHE 11 HZ PHE 11 3.353 12.062 7.235 231 H ARG 12 H ARG 12 7.800 15.509 0.664 232 HA ARG 12 HA ARG 12 8.642 17.834 1.841 233 HB2 ARG 12 HB2 ARG 12 7.814 17.222 -0.982 234 HB3 ARG 12 HB3 ARG 12 8.360 18.831 -0.532 235 HG2 ARG 12 HG2 ARG 12 10.497 17.956 0.167 236 HG3 ARG 12 HG3 ARG 12 9.954 16.307 -0.146 237 HD2 ARG 12 HD2 ARG 12 10.141 16.527 -2.403 238 HD3 ARG 12 HD3 ARG 12 9.755 18.247 -2.376 239 HE ARG 12 HE ARG 12 12.349 17.082 -2.316 240 HH11 ARG 12 HH11 ARG 12 10.481 19.779 -1.149 241 HH12 ARG 12 HH12 ARG 12 11.851 20.828 -0.995 242 HH21 ARG 12 HH21 ARG 12 14.160 18.456 -2.119 243 HH22 ARG 12 HH22 ARG 12 13.943 20.075 -1.548 244 H LYS 13 H LYS 13 5.824 17.814 -0.338 245 HA LYS 13 HA LYS 13 4.545 19.776 1.453 246 HB2 LYS 13 HB2 LYS 13 4.953 19.791 -1.485 247 HB3 LYS 13 HB3 LYS 13 3.389 20.355 -0.909 248 HG2 LYS 13 HG2 LYS 13 4.340 22.127 0.287 249 HG3 LYS 13 HG3 LYS 13 5.958 21.424 0.209 250 HD2 LYS 13 HD2 LYS 13 4.548 22.136 -2.324 251 HD3 LYS 13 HD3 LYS 13 5.292 23.414 -1.361 252 HE2 LYS 13 HE2 LYS 13 7.428 22.188 -1.435 253 HE3 LYS 13 HE3 LYS 13 6.671 20.962 -2.451 254 HZ1 LYS 13 HZ1 LYS 13 7.904 23.281 -3.283 255 HZ2 LYS 13 HZ2 LYS 13 6.253 23.553 -3.524 256 HZ3 LYS 13 HZ3 LYS 13 7.001 22.212 -4.233 257 H LEU 14 H LEU 14 4.377 16.704 0.293 258 HA LEU 14 HA LEU 14 1.442 16.637 0.543 259 HB2 LEU 14 HB2 LEU 14 3.228 14.851 -1.102 260 HB3 LEU 14 HB3 LEU 14 1.492 14.628 -0.891 261 HG LEU 14 HG LEU 14 2.250 17.264 -1.926 262 HD11 LEU 14 HD11 LEU 14 2.988 14.747 -3.372 263 HD12 LEU 14 HD12 LEU 14 3.916 16.234 -3.178 264 HD13 LEU 14 HD13 LEU 14 2.520 16.200 -4.255 265 HD21 LEU 14 HD21 LEU 14 0.349 15.172 -2.970 266 HD22 LEU 14 HD22 LEU 14 0.364 16.894 -3.350 267 HD23 LEU 14 HD23 LEU 14 -0.062 16.352 -1.726 268 H THR 15 H THR 15 0.853 15.766 2.407 269 HA THR 15 HA THR 15 2.637 13.991 3.848 270 HB THR 15 HB THR 15 0.480 14.020 5.427 271 HG1 THR 15 HG1 THR 15 -0.895 15.555 4.934 272 HG21 THR 15 HG21 THR 15 2.948 15.224 5.428 273 HG22 THR 15 HG22 THR 15 1.782 15.283 6.751 274 HG23 THR 15 HG23 THR 15 1.852 16.597 5.578 275 H HIS 16 H HIS 16 2.674 11.957 3.086 276 HA HIS 16 HA HIS 16 0.118 10.646 2.460 277 HB2 HIS 16 HB2 HIS 16 2.957 10.018 1.649 278 HB3 HIS 16 HB3 HIS 16 1.623 8.899 1.385 279 HD1 HIS 16 HD1 HIS 16 0.719 9.052 -0.898 280 HD2 HIS 16 HD2 HIS 16 2.186 12.710 0.415 281 HE1 HIS 16 HE1 HIS 16 0.376 10.642 -2.816 282 H ARG 17 H ARG 17 -0.687 9.226 3.851 283 HA ARG 17 HA ARG 17 0.595 8.576 6.277 284 HB2 ARG 17 HB2 ARG 17 -1.298 6.962 6.563 285 HB3 ARG 17 HB3 ARG 17 -1.798 8.607 6.193 286 HG2 ARG 17 HG2 ARG 17 -1.467 7.031 3.791 287 HG3 ARG 17 HG3 ARG 17 -2.612 6.293 4.911 288 HD2 ARG 17 HD2 ARG 17 -3.873 8.367 5.021 289 HD3 ARG 17 HD3 ARG 17 -2.701 9.156 3.968 290 HE ARG 17 HE ARG 17 -4.857 7.467 3.171 291 HH11 ARG 17 HH11 ARG 17 -1.626 8.466 2.345 292 HH12 ARG 17 HH12 ARG 17 -1.813 8.125 0.656 293 HH21 ARG 17 HH21 ARG 17 -5.115 7.015 0.951 294 HH22 ARG 17 HH22 ARG 17 -3.798 7.302 -0.136 295 H LEU 18 H LEU 18 0.994 7.323 3.178 296 HA LEU 18 HA LEU 18 1.351 4.618 3.464 297 HB2 LEU 18 HB2 LEU 18 2.418 4.679 1.469 298 HB3 LEU 18 HB3 LEU 18 1.739 6.305 1.456 299 HG LEU 18 HG LEU 18 4.563 5.629 2.275 300 HD11 LEU 18 HD11 LEU 18 3.790 7.041 -0.245 301 HD12 LEU 18 HD12 LEU 18 3.854 5.280 -0.185 302 HD13 LEU 18 HD13 LEU 18 5.300 6.228 0.163 303 HD21 LEU 18 HD21 LEU 18 4.156 8.329 1.459 304 HD22 LEU 18 HD22 LEU 18 4.689 7.713 3.024 305 HD23 LEU 18 HD23 LEU 18 2.968 7.924 2.698 306 H PHE 19 H PHE 19 3.241 7.167 4.818 307 HA PHE 19 HA PHE 19 5.710 6.018 5.209 308 HB2 PHE 19 HB2 PHE 19 5.339 8.292 5.870 309 HB3 PHE 19 HB3 PHE 19 4.109 7.813 7.036 310 HD1 PHE 19 HD1 PHE 19 7.267 5.995 6.623 311 HD2 PHE 19 HD2 PHE 19 5.143 8.894 8.903 312 HE1 PHE 19 HE1 PHE 19 8.987 5.870 8.377 313 HE2 PHE 19 HE2 PHE 19 6.860 8.774 10.661 314 HZ PHE 19 HZ PHE 19 8.786 7.261 10.400 315 H ARG 20 H ARG 20 3.049 5.932 7.587 316 HA ARG 20 HA ARG 20 4.257 3.513 8.735 317 HB2 ARG 20 HB2 ARG 20 2.367 5.573 9.859 318 HB3 ARG 20 HB3 ARG 20 2.641 4.028 10.652 319 HG2 ARG 20 HG2 ARG 20 4.764 4.571 11.289 320 HG3 ARG 20 HG3 ARG 20 5.005 5.677 9.935 321 HD2 ARG 20 HD2 ARG 20 3.603 7.333 10.968 322 HD3 ARG 20 HD3 ARG 20 3.158 6.213 12.256 323 HE ARG 20 HE ARG 20 5.957 6.547 12.205 324 HH11 ARG 20 HH11 ARG 20 3.035 8.243 13.045 325 HH12 ARG 20 HH12 ARG 20 3.798 9.225 14.252 326 HH21 ARG 20 HH21 ARG 20 6.972 7.834 13.791 327 HH22 ARG 20 HH22 ARG 20 6.038 8.992 14.674 328 H ARG 21 H ARG 21 1.708 4.550 6.786 329 HA ARG 21 HA ARG 21 -0.132 2.440 7.539 330 HB2 ARG 21 HB2 ARG 21 -1.001 4.626 6.833 331 HB3 ARG 21 HB3 ARG 21 -0.238 4.426 5.261 332 HG2 ARG 21 HG2 ARG 21 -2.141 2.338 6.179 333 HG3 ARG 21 HG3 ARG 21 -2.784 3.889 5.637 334 HD2 ARG 21 HD2 ARG 21 -2.340 3.442 3.490 335 HD3 ARG 21 HD3 ARG 21 -0.735 2.816 3.864 336 HE ARG 21 HE ARG 21 -1.597 0.713 3.723 337 HH11 ARG 21 HH11 ARG 21 -4.206 2.934 4.346 338 HH12 ARG 21 HH12 ARG 21 -5.439 1.724 4.217 339 HH21 ARG 21 HH21 ARG 21 -3.212 -0.888 3.552 340 HH22 ARG 21 HH22 ARG 21 -4.873 -0.449 3.767 341 H ASN 22 H ASN 22 2.429 2.947 5.294 342 HA ASN 22 HA ASN 22 1.775 0.386 3.991 343 HB2 ASN 22 HB2 ASN 22 2.263 2.971 2.812 344 HB3 ASN 22 HB3 ASN 22 3.492 1.827 2.281 345 HD21 ASN 22 HD21 ASN 22 0.428 2.994 1.738 346 HD22 ASN 22 HD22 ASN 22 -0.160 1.738 0.708 347 H PHE 23 H PHE 23 4.365 2.581 5.001 348 HA PHE 23 HA PHE 23 6.263 0.345 4.905 349 HB2 PHE 23 HB2 PHE 23 6.747 3.320 5.168 350 HB3 PHE 23 HB3 PHE 23 8.010 2.094 5.137 351 HD1 PHE 23 HD1 PHE 23 8.156 0.608 3.061 352 HD2 PHE 23 HD2 PHE 23 5.963 4.254 3.195 353 HE1 PHE 23 HE1 PHE 23 8.219 0.732 0.604 354 HE2 PHE 23 HE2 PHE 23 6.022 4.383 0.738 355 HZ PHE 23 HZ PHE 23 7.151 2.621 -0.560 356 H GLY 24 H GLY 24 4.138 1.230 7.018 357 HA2 GLY 24 HA2 GLY 24 5.811 1.665 9.352 358 HA3 GLY 24 HA3 GLY 24 4.056 1.562 9.327 359 H TYR 25 H TYR 25 4.532 -1.013 7.661 360 HA TYR 25 HA TYR 25 4.095 -2.834 9.741 361 HB2 TYR 25 HB2 TYR 25 4.173 -4.540 8.088 362 HB3 TYR 25 HB3 TYR 25 3.507 -3.119 7.290 363 HD1 TYR 25 HD1 TYR 25 5.171 -1.655 5.955 364 HD2 TYR 25 HD2 TYR 25 5.989 -5.655 7.152 365 HE1 TYR 25 HE1 TYR 25 6.906 -1.814 4.217 366 HE2 TYR 25 HE2 TYR 25 7.726 -5.825 5.419 367 HH TYR 25 HH TYR 25 7.981 -4.136 2.900 368 H THR 26 H THR 26 7.036 -1.769 8.177 369 HA THR 26 HA THR 26 8.636 -3.769 9.567 370 HB THR 26 HB THR 26 9.124 -1.861 7.347 371 HG1 THR 26 HG1 THR 26 9.919 -4.526 7.975 372 HG21 THR 26 HG21 THR 26 10.824 -1.113 8.894 373 HG22 THR 26 HG22 THR 26 11.582 -2.083 7.632 374 HG23 THR 26 HG23 THR 26 11.302 -2.776 9.228 375 H LEU 27 H LEU 27 8.523 -0.213 9.315 376 HA LEU 27 HA LEU 27 10.345 0.227 11.442 377 HB2 LEU 27 HB2 LEU 27 8.974 1.781 9.534 378 HB3 LEU 27 HB3 LEU 27 8.540 2.426 11.115 379 HG LEU 27 HG LEU 27 11.332 2.132 10.011 380 HD11 LEU 27 HD11 LEU 27 10.609 4.002 8.944 381 HD12 LEU 27 HD12 LEU 27 11.071 4.732 10.480 382 HD13 LEU 27 HD13 LEU 27 9.379 4.356 10.156 383 HD21 LEU 27 HD21 LEU 27 10.297 3.008 12.691 384 HD22 LEU 27 HD22 LEU 27 11.870 3.523 12.080 385 HD23 LEU 27 HD23 LEU 27 11.536 1.808 12.325 386 H ARG 28 H ARG 28 7.332 -1.057 11.542 387 HA ARG 28 HA ARG 28 5.937 0.220 13.549 388 HB2 ARG 28 HB2 ARG 28 5.760 -2.226 12.200 389 HB3 ARG 28 HB3 ARG 28 5.826 -2.651 13.904 390 HG2 ARG 28 HG2 ARG 28 3.887 -1.400 14.394 391 HG3 ARG 28 HG3 ARG 28 3.924 -0.596 12.824 392 HD2 ARG 28 HD2 ARG 28 3.650 -2.936 11.827 393 HD3 ARG 28 HD3 ARG 28 3.217 -3.445 13.458 394 HE ARG 28 HE ARG 28 1.671 -1.208 12.732 395 HH11 ARG 28 HH11 ARG 28 2.035 -4.592 11.998 396 HH12 ARG 28 HH12 ARG 28 0.377 -4.806 11.543 397 HH21 ARG 28 HH21 ARG 28 -0.514 -1.477 12.135 398 HH22 ARG 28 HH22 ARG 28 -1.071 -3.033 11.620
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