NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580643 | 2mdl | 18363 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 H THR 1 1.806 0.001 0.856 2 HA THR 1 HA THR 1 1.469 0.416 -2.018 3 HB THR 1 HB THR 1 3.951 0.743 -2.017 4 HG1 THR 1 HG1 THR 1 4.940 0.975 0.053 5 HG21 THR 1 3HG2 THR 1 3.037 2.626 0.056 6 HG22 THR 1 1HG2 THR 1 1.994 2.500 -1.360 7 HG23 THR 1 2HG2 THR 1 3.692 2.939 -1.551 8 H CYS 2 H CYS 2 2.320 -0.957 -3.575 9 HA CYS 2 HA CYS 2 3.273 -3.574 -2.620 10 HB2 CYS 2 2HB CYS 2 1.470 -3.201 -5.013 11 HB3 CYS 2 3HB CYS 2 1.942 -4.715 -4.248 12 H HIS 3 H HIS 3 5.365 -3.573 -3.168 13 HA HIS 3 HA HIS 3 6.041 -3.296 -5.987 14 HB2 HIS 3 2HB HIS 3 6.917 -1.436 -3.854 15 HB3 HIS 3 3HB HIS 3 8.167 -1.978 -4.970 16 HD1 HIS 3 HD1 HIS 3 6.835 0.955 -4.722 17 HD2 HIS 3 HD2 HIS 3 6.144 -1.892 -7.668 18 HE1 HIS 3 HE1 HIS 3 6.010 2.241 -6.719 19 H ILE 4 H ILE 4 6.727 -5.343 -6.261 20 HA ILE 4 HA ILE 4 9.115 -6.158 -4.797 21 HB ILE 4 HB ILE 4 6.771 -8.034 -5.098 22 HG12 ILE 4 2HG1 ILE 4 7.766 -6.636 -2.606 23 HG13 ILE 4 3HG1 ILE 4 6.292 -6.224 -3.476 24 HG21 ILE 4 1HG2 ILE 4 9.555 -8.387 -4.465 25 HG22 ILE 4 2HG2 ILE 4 8.541 -8.914 -3.123 26 HG23 ILE 4 3HG2 ILE 4 8.304 -9.600 -4.730 27 HD11 ILE 4 3HD1 ILE 4 5.466 -8.524 -3.021 28 HD12 ILE 4 1HD1 ILE 4 6.887 -8.778 -2.008 29 HD13 ILE 4 2HD1 ILE 4 5.708 -7.538 -1.579 30 H ARG 5 H ARG 5 10.478 -7.508 -5.941 31 HA ARG 5 HA ARG 5 10.095 -7.524 -8.794 32 HB2 ARG 5 2HB ARG 5 12.344 -8.483 -8.881 33 HB3 ARG 5 3HB ARG 5 12.302 -7.071 -7.835 34 HG2 ARG 5 2HG ARG 5 12.206 -8.542 -5.873 35 HG3 ARG 5 3HG ARG 5 12.298 -9.945 -6.940 36 HD2 ARG 5 2HD ARG 5 14.381 -7.787 -7.004 37 HD3 ARG 5 3HD ARG 5 14.464 -9.108 -5.839 38 HE ARG 5 HE ARG 5 14.112 -10.242 -8.352 39 HH11 ARG 5 1HH1 ARG 5 16.487 -8.335 -6.665 40 HH12 ARG 5 2HH1 ARG 5 17.826 -8.974 -7.560 41 HH21 ARG 5 1HH2 ARG 5 15.866 -11.091 -9.537 42 HH22 ARG 5 2HH2 ARG 5 17.472 -10.541 -9.194 43 H ARG 6 H ARG 6 10.086 -9.888 -6.185 44 HA ARG 6 HA ARG 6 9.107 -11.896 -8.106 45 HB2 ARG 6 2HB ARG 6 11.079 -12.163 -5.864 46 HB3 ARG 6 3HB ARG 6 10.098 -13.545 -6.334 47 HG2 ARG 6 2HG ARG 6 11.566 -12.072 -8.456 48 HG3 ARG 6 3HG ARG 6 12.476 -13.127 -7.372 49 HD2 ARG 6 2HD ARG 6 10.735 -14.908 -7.924 50 HD3 ARG 6 3HD ARG 6 10.232 -13.845 -9.237 51 HE ARG 6 HE ARG 6 12.899 -14.077 -9.618 52 HH11 ARG 6 1HH1 ARG 6 10.333 -16.389 -9.187 53 HH12 ARG 6 2HH1 ARG 6 11.095 -17.610 -10.152 54 HH21 ARG 6 1HH2 ARG 6 13.912 -15.676 -10.891 55 HH22 ARG 6 2HH2 ARG 6 13.131 -17.203 -11.120 56 H LYS 7 H LYS 7 6.945 -11.622 -7.722 57 HA LYS 7 HA LYS 7 5.669 -11.142 -5.323 58 HB2 LYS 7 2HB LYS 7 3.680 -12.272 -6.381 59 HB3 LYS 7 3HB LYS 7 4.419 -11.001 -7.347 60 HG2 LYS 7 2HG LYS 7 4.021 -12.680 -8.888 61 HG3 LYS 7 3HG LYS 7 5.722 -12.909 -8.477 62 HD2 LYS 7 2HD LYS 7 5.337 -14.876 -7.408 63 HD3 LYS 7 3HD LYS 7 3.747 -14.373 -6.829 64 HE2 LYS 7 2HE LYS 7 3.218 -16.011 -8.375 65 HE3 LYS 7 3HE LYS 7 3.065 -14.534 -9.324 66 HZ1 LYS 7 3HZ LYS 7 5.047 -14.946 -10.429 67 HZ2 LYS 7 1HZ LYS 7 4.350 -16.484 -10.324 68 HZ3 LYS 7 2HZ LYS 7 5.598 -16.047 -9.269 69 HA PRO 8 HA PRO 8 5.927 -14.781 -2.882 70 HB2 PRO 8 2HB PRO 8 3.504 -14.780 -1.658 71 HB3 PRO 8 3HB PRO 8 4.785 -13.631 -1.253 72 HG2 PRO 8 2HG PRO 8 2.391 -13.258 -3.012 73 HG3 PRO 8 3HG PRO 8 3.074 -12.155 -1.803 74 HD2 PRO 8 2HD PRO 8 3.519 -11.863 -4.458 75 HD3 PRO 8 3HD PRO 8 4.720 -11.406 -3.233 76 H LYS 9 H LYS 9 5.712 -16.893 -3.284 77 HA LYS 9 HA LYS 9 3.261 -18.093 -4.108 78 HB2 LYS 9 2HB LYS 9 4.255 -17.004 -6.230 79 HB3 LYS 9 3HB LYS 9 5.457 -18.285 -6.155 80 HG2 LYS 9 2HG LYS 9 2.615 -19.095 -5.999 81 HG3 LYS 9 3HG LYS 9 3.206 -18.500 -7.552 82 HD2 LYS 9 2HD LYS 9 5.208 -20.195 -6.817 83 HD3 LYS 9 3HD LYS 9 3.794 -21.004 -6.138 84 HE2 LYS 9 2HE LYS 9 4.119 -21.839 -8.350 85 HE3 LYS 9 3HE LYS 9 2.700 -20.792 -8.375 86 HZ1 LYS 9 3HZ LYS 9 5.216 -19.485 -8.973 87 HZ2 LYS 9 1HZ LYS 9 3.705 -19.321 -9.717 88 HZ3 LYS 9 2HZ LYS 9 4.710 -20.621 -10.120 89 H PHE 10 H PHE 10 3.359 -20.388 -4.136 90 HA PHE 10 HA PHE 10 4.018 -22.377 -3.241 91 HB2 PHE 10 2HB PHE 10 5.557 -22.064 -5.272 92 HB3 PHE 10 3HB PHE 10 6.809 -21.647 -4.108 93 HD1 PHE 10 HD2 PHE 10 4.184 -24.290 -4.387 94 HD2 PHE 10 HD1 PHE 10 8.276 -23.347 -3.694 95 HE1 PHE 10 HE2 PHE 10 4.677 -26.679 -4.069 96 HE2 PHE 10 HE1 PHE 10 8.776 -25.735 -3.376 97 HZ PHE 10 HZ PHE 10 6.975 -27.405 -3.562 98 H ARG 11 H ARG 11 3.759 -20.559 -1.286 99 HA ARG 11 HA ARG 11 6.109 -21.003 0.437 100 HB2 ARG 11 2HB ARG 11 5.493 -18.969 1.648 101 HB3 ARG 11 3HB ARG 11 5.762 -18.629 -0.056 102 HG2 ARG 11 2HG ARG 11 2.984 -19.231 0.732 103 HG3 ARG 11 3HG ARG 11 3.662 -17.711 1.319 104 HD2 ARG 11 2HD ARG 11 4.244 -17.079 -0.962 105 HD3 ARG 11 3HD ARG 11 3.610 -18.612 -1.559 106 HE ARG 11 HE ARG 11 2.097 -16.286 -0.789 107 HH11 ARG 11 1HH1 ARG 11 2.030 -19.733 -1.273 108 HH12 ARG 11 2HH1 ARG 11 0.317 -19.795 -1.527 109 HH21 ARG 11 1HH2 ARG 11 -0.158 -16.355 -1.122 110 HH22 ARG 11 2HH2 ARG 11 -0.926 -17.873 -1.442 111 H LYS 12 H LYS 12 5.773 -21.660 2.559 112 HA LYS 12 HA LYS 12 3.334 -23.138 2.997 113 HB2 LYS 12 2HB LYS 12 5.945 -22.875 4.449 114 HB3 LYS 12 3HB LYS 12 4.565 -23.612 5.252 115 HG2 LYS 12 2HG LYS 12 4.460 -25.364 3.664 116 HG3 LYS 12 3HG LYS 12 5.594 -24.545 2.587 117 HD2 LYS 12 2HD LYS 12 6.928 -26.145 3.609 118 HD3 LYS 12 3HD LYS 12 7.232 -24.708 4.588 119 HE2 LYS 12 2HE LYS 12 5.665 -25.477 6.263 120 HE3 LYS 12 3HE LYS 12 5.233 -26.864 5.264 121 HZ1 LYS 12 3HZ LYS 12 8.051 -26.519 5.964 122 HZ2 LYS 12 1HZ LYS 12 7.154 -27.939 5.758 123 HZ3 LYS 12 2HZ LYS 12 7.001 -27.042 7.184 124 H PHE 13 H PHE 13 5.091 -21.047 5.276 125 HA PHE 13 HA PHE 13 2.643 -20.325 6.595 126 HB2 PHE 13 2HB PHE 13 5.500 -19.419 6.986 127 HB3 PHE 13 3HB PHE 13 4.158 -18.883 7.992 128 HD1 PHE 13 HD1 PHE 13 6.152 -21.815 6.978 129 HD2 PHE 13 HD2 PHE 13 3.302 -20.244 9.721 130 HE1 PHE 13 HE1 PHE 13 6.444 -23.795 8.410 131 HE2 PHE 13 HE2 PHE 13 3.590 -22.220 11.158 132 HZ PHE 13 HZ PHE 13 5.163 -23.999 10.504 133 H LYS 14 H LYS 14 1.444 -18.540 6.339 134 HA LYS 14 HA LYS 14 2.270 -16.634 4.277 135 HB2 LYS 14 2HB LYS 14 -0.378 -17.366 5.495 136 HB3 LYS 14 3HB LYS 14 -0.186 -15.867 4.596 137 HG2 LYS 14 2HG LYS 14 0.586 -18.512 3.417 138 HG3 LYS 14 3HG LYS 14 -1.070 -17.904 3.343 139 HD2 LYS 14 2HD LYS 14 1.222 -16.196 2.448 140 HD3 LYS 14 3HD LYS 14 0.544 -17.422 1.373 141 HE2 LYS 14 2HE LYS 14 -1.084 -15.273 2.721 142 HE3 LYS 14 3HE LYS 14 -0.421 -15.128 1.094 143 HZ1 LYS 14 3HZ LYS 14 -1.702 -17.513 1.030 144 HZ2 LYS 14 1HZ LYS 14 -2.329 -16.051 0.452 145 HZ3 LYS 14 2HZ LYS 14 -2.722 -16.584 2.009 146 H LEU 15 H LEU 15 2.524 -14.476 4.645 147 HA LEU 15 HA LEU 15 3.093 -12.613 5.827 148 HB2 LEU 15 2HB LEU 15 0.558 -13.545 7.096 149 HB3 LEU 15 3HB LEU 15 1.417 -12.169 7.784 150 HG LEU 15 HG LEU 15 -0.405 -11.486 6.288 151 HD11 LEU 15 1HD1 LEU 15 1.388 -10.332 4.579 152 HD12 LEU 15 2HD1 LEU 15 2.401 -10.746 5.961 153 HD13 LEU 15 3HD1 LEU 15 0.976 -9.732 6.185 154 HD21 LEU 15 3HD2 LEU 15 0.031 -13.567 4.781 155 HD22 LEU 15 1HD2 LEU 15 1.152 -12.491 3.947 156 HD23 LEU 15 2HD2 LEU 15 -0.556 -12.066 4.063 157 H TYR 16 H TYR 16 4.435 -15.037 6.583 158 HA TYR 16 HA TYR 16 4.611 -15.483 9.320 159 HB2 TYR 16 2HB TYR 16 7.035 -16.164 8.745 160 HB3 TYR 16 3HB TYR 16 5.721 -17.043 7.973 161 HD1 TYR 16 HD1 TYR 16 7.613 -13.884 7.289 162 HD2 TYR 16 HD2 TYR 16 6.124 -17.570 5.772 163 HE1 TYR 16 HE1 TYR 16 8.564 -13.354 5.084 164 HE2 TYR 16 HE2 TYR 16 7.072 -17.050 3.563 165 HH TYR 16 HH TYR 16 8.679 -15.689 2.522 166 H HIS 17 H HIS 17 6.901 -15.044 10.443 167 HA HIS 17 HA HIS 17 7.009 -12.159 10.749 168 HB2 HIS 17 2HB HIS 17 7.886 -14.509 12.342 169 HB3 HIS 17 3HB HIS 17 8.804 -13.020 12.545 170 HD1 HIS 17 HD1 HIS 17 7.973 -12.542 14.904 171 HD2 HIS 17 HD2 HIS 17 4.908 -12.944 12.128 172 HE1 HIS 17 HE1 HIS 17 5.893 -11.762 16.082 173 H GLU 18 H GLU 18 7.944 -12.064 8.486 174 HA GLU 18 HA GLU 18 10.821 -11.786 8.723 175 HB2 GLU 18 2HB GLU 18 9.796 -14.101 7.568 176 HB3 GLU 18 3HB GLU 18 10.196 -13.080 6.195 177 HG2 GLU 18 2HG GLU 18 12.472 -12.848 6.999 178 HG3 GLU 18 3HG GLU 18 12.083 -13.812 8.422 179 H GLY 19 H GLY 19 10.580 -9.589 8.450 180 HA2 GLY 19 2HA GLY 19 10.496 -7.638 7.239 181 HA3 GLY 19 3HA GLY 19 10.465 -8.629 5.788 182 H LYS 20 H LYS 20 8.789 -6.376 7.500 183 HA LYS 20 HA LYS 20 6.116 -7.336 7.079 184 HB2 LYS 20 2HB LYS 20 7.376 -4.874 8.153 185 HB3 LYS 20 3HB LYS 20 5.755 -4.702 7.492 186 HG2 LYS 20 2HG LYS 20 5.342 -5.131 9.717 187 HG3 LYS 20 3HG LYS 20 5.191 -6.734 8.993 188 HD2 LYS 20 2HD LYS 20 7.881 -5.927 9.941 189 HD3 LYS 20 3HD LYS 20 6.663 -6.264 11.173 190 HE2 LYS 20 2HE LYS 20 6.557 -8.477 10.656 191 HE3 LYS 20 3HE LYS 20 6.916 -8.208 8.951 192 HZ1 LYS 20 3HZ LYS 20 8.981 -8.839 9.382 193 HZ2 LYS 20 1HZ LYS 20 8.676 -8.927 11.044 194 HZ3 LYS 20 2HZ LYS 20 9.183 -7.468 10.353 195 H PHE 21 H PHE 21 5.912 -7.782 4.888 196 HA PHE 21 HA PHE 21 5.008 -5.707 3.244 197 HB2 PHE 21 2HB PHE 21 7.707 -5.591 3.305 198 HB3 PHE 21 3HB PHE 21 7.482 -6.724 1.976 199 HD1 PHE 21 HD1 PHE 21 5.282 -5.840 0.477 200 HD2 PHE 21 HD2 PHE 21 8.154 -3.480 2.550 201 HE1 PHE 21 HE1 PHE 21 4.836 -3.963 -1.049 202 HE2 PHE 21 HE2 PHE 21 7.712 -1.599 1.028 203 HZ PHE 21 HZ PHE 21 6.050 -1.838 -0.775 204 H TRP 22 H TRP 22 3.394 -6.866 2.412 205 HA TRP 22 HA TRP 22 4.072 -9.284 0.898 206 HB2 TRP 22 2HB TRP 22 2.102 -9.043 3.133 207 HB3 TRP 22 3HB TRP 22 1.723 -10.112 1.786 208 HD1 TRP 22 HD1 TRP 22 4.453 -9.627 4.483 209 HE1 TRP 22 HE1 TRP 22 5.523 -11.920 4.956 210 HE3 TRP 22 HE3 TRP 22 2.039 -12.398 0.928 211 HZ2 TRP 22 HZ2 TRP 22 5.365 -14.554 3.954 212 HZ3 TRP 22 HZ3 TRP 22 2.557 -14.797 0.751 213 HH2 TRP 22 HH2 TRP 22 4.186 -15.851 2.233 214 H CYS 23 H CYS 23 3.901 -7.775 -0.889 215 HA CYS 23 HA CYS 23 1.424 -7.912 -2.199 216 HB2 CYS 23 2HB CYS 23 1.092 -6.048 -0.396 217 HB3 CYS 23 3HB CYS 23 2.046 -5.062 -1.500 218 HA PRO 24 HA PRO 24 4.898 -7.334 -5.053 219 HB2 PRO 24 2HB PRO 24 3.735 -8.722 -7.076 220 HB3 PRO 24 3HB PRO 24 4.584 -9.505 -5.738 221 HG2 PRO 24 2HG PRO 24 1.645 -9.093 -6.134 222 HG3 PRO 24 3HG PRO 24 2.505 -10.532 -5.555 223 HD2 PRO 24 2HD PRO 24 1.257 -8.808 -3.881 224 HD3 PRO 24 3HD PRO 24 2.724 -9.696 -3.418 Start of MODEL 2 1 H1 THR 1 H THR 1 3.121 0.624 -0.365 2 HA THR 1 HA THR 1 0.972 0.497 -2.199 3 HB THR 1 HB THR 1 2.254 2.300 -3.315 4 HG1 THR 1 HG1 THR 1 1.120 1.107 -4.753 5 HG21 THR 1 3HG2 THR 1 4.468 0.699 -2.637 6 HG22 THR 1 1HG2 THR 1 4.470 2.221 -3.527 7 HG23 THR 1 2HG2 THR 1 4.368 0.690 -4.398 8 H CYS 2 H CYS 2 1.262 -1.313 -3.784 9 HA CYS 2 HA CYS 2 2.675 -3.491 -2.465 10 HB2 CYS 2 2HB CYS 2 0.793 -3.563 -4.832 11 HB3 CYS 2 3HB CYS 2 1.393 -4.957 -3.940 12 H HIS 3 H HIS 3 4.771 -3.617 -2.988 13 HA HIS 3 HA HIS 3 5.463 -4.022 -5.783 14 HB2 HIS 3 2HB HIS 3 5.756 -1.522 -4.995 15 HB3 HIS 3 3HB HIS 3 7.222 -2.151 -4.248 16 HD1 HIS 3 HD1 HIS 3 5.641 -1.577 -7.608 17 HD2 HIS 3 HD2 HIS 3 9.295 -2.726 -5.998 18 HE1 HIS 3 HE1 HIS 3 7.265 -1.537 -9.528 19 H ILE 4 H ILE 4 7.336 -5.239 -6.092 20 HA ILE 4 HA ILE 4 9.184 -5.884 -4.065 21 HB ILE 4 HB ILE 4 7.205 -7.086 -3.142 22 HG12 ILE 4 2HG1 ILE 4 9.409 -8.933 -4.080 23 HG13 ILE 4 3HG1 ILE 4 9.564 -7.808 -2.734 24 HG21 ILE 4 1HG2 ILE 4 6.050 -8.690 -4.267 25 HG22 ILE 4 2HG2 ILE 4 6.541 -7.699 -5.639 26 HG23 ILE 4 3HG2 ILE 4 7.440 -9.163 -5.244 27 HD11 ILE 4 3HD1 ILE 4 8.149 -10.385 -2.903 28 HD12 ILE 4 1HD1 ILE 4 9.001 -9.638 -1.552 29 HD13 ILE 4 2HD1 ILE 4 7.366 -9.117 -1.961 30 H ARG 5 H ARG 5 10.836 -7.278 -4.786 31 HA ARG 5 HA ARG 5 11.479 -7.168 -7.468 32 HB2 ARG 5 2HB ARG 5 13.125 -8.997 -6.951 33 HB3 ARG 5 3HB ARG 5 13.196 -7.612 -5.870 34 HG2 ARG 5 2HG ARG 5 11.732 -8.936 -4.290 35 HG3 ARG 5 3HG ARG 5 12.048 -10.331 -5.324 36 HD2 ARG 5 2HD ARG 5 14.334 -10.325 -4.829 37 HD3 ARG 5 3HD ARG 5 14.287 -8.673 -4.215 38 HE ARG 5 HE ARG 5 12.642 -10.305 -2.622 39 HH11 ARG 5 1HH1 ARG 5 16.003 -9.749 -3.338 40 HH12 ARG 5 2HH1 ARG 5 16.556 -10.267 -1.779 41 HH21 ARG 5 1HH2 ARG 5 13.357 -10.990 -0.567 42 HH22 ARG 5 2HH2 ARG 5 15.050 -10.973 -0.204 43 H ARG 6 H ARG 6 10.018 -9.869 -5.680 44 HA ARG 6 HA ARG 6 8.871 -10.843 -8.181 45 HB2 ARG 6 2HB ARG 6 10.802 -12.339 -6.456 46 HB3 ARG 6 3HB ARG 6 9.517 -13.226 -7.265 47 HG2 ARG 6 2HG ARG 6 11.314 -11.375 -8.784 48 HG3 ARG 6 3HG ARG 6 11.791 -13.036 -8.428 49 HD2 ARG 6 2HD ARG 6 9.293 -12.192 -9.893 50 HD3 ARG 6 3HD ARG 6 10.753 -12.839 -10.639 51 HE ARG 6 HE ARG 6 8.702 -14.318 -9.266 52 HH11 ARG 6 1HH1 ARG 6 12.031 -14.292 -10.284 53 HH12 ARG 6 2HH1 ARG 6 12.185 -16.018 -10.269 54 HH21 ARG 6 1HH2 ARG 6 8.892 -16.591 -9.243 55 HH22 ARG 6 2HH2 ARG 6 10.399 -17.324 -9.678 56 H LYS 7 H LYS 7 6.789 -11.281 -7.904 57 HA LYS 7 HA LYS 7 5.399 -10.953 -5.543 58 HB2 LYS 7 2HB LYS 7 3.559 -12.248 -6.677 59 HB3 LYS 7 3HB LYS 7 4.206 -10.901 -7.605 60 HG2 LYS 7 2HG LYS 7 4.014 -12.589 -9.176 61 HG3 LYS 7 3HG LYS 7 5.715 -12.665 -8.712 62 HD2 LYS 7 2HD LYS 7 5.479 -14.668 -7.660 63 HD3 LYS 7 3HD LYS 7 3.822 -14.329 -7.156 64 HE2 LYS 7 2HE LYS 7 3.481 -14.461 -9.821 65 HE3 LYS 7 3HE LYS 7 4.844 -15.565 -9.637 66 HZ1 LYS 7 3HZ LYS 7 3.568 -17.093 -8.649 67 HZ2 LYS 7 1HZ LYS 7 2.264 -16.248 -9.319 68 HZ3 LYS 7 2HZ LYS 7 2.726 -15.960 -7.717 69 HA PRO 8 HA PRO 8 5.918 -14.585 -3.134 70 HB2 PRO 8 2HB PRO 8 3.468 -14.826 -1.989 71 HB3 PRO 8 3HB PRO 8 4.623 -13.569 -1.531 72 HG2 PRO 8 2HG PRO 8 2.261 -13.395 -3.362 73 HG3 PRO 8 3HG PRO 8 2.801 -12.250 -2.120 74 HD2 PRO 8 2HD PRO 8 3.300 -11.882 -4.756 75 HD3 PRO 8 3HD PRO 8 4.413 -11.332 -3.487 76 H LYS 9 H LYS 9 5.925 -16.696 -3.585 77 HA LYS 9 HA LYS 9 3.612 -18.094 -4.522 78 HB2 LYS 9 2HB LYS 9 4.585 -16.936 -6.590 79 HB3 LYS 9 3HB LYS 9 5.942 -18.044 -6.432 80 HG2 LYS 9 2HG LYS 9 4.392 -18.911 -8.043 81 HG3 LYS 9 3HG LYS 9 4.368 -19.939 -6.608 82 HD2 LYS 9 2HD LYS 9 2.424 -18.005 -6.127 83 HD3 LYS 9 3HD LYS 9 2.228 -18.423 -7.831 84 HE2 LYS 9 2HE LYS 9 2.615 -20.694 -5.995 85 HE3 LYS 9 3HE LYS 9 1.111 -19.799 -5.789 86 HZ1 LYS 9 3HZ LYS 9 0.427 -21.196 -7.398 87 HZ2 LYS 9 1HZ LYS 9 1.985 -21.476 -7.995 88 HZ3 LYS 9 2HZ LYS 9 1.154 -20.068 -8.428 89 H PHE 10 H PHE 10 3.876 -20.363 -4.496 90 HA PHE 10 HA PHE 10 4.637 -22.291 -3.551 91 HB2 PHE 10 2HB PHE 10 6.177 -22.012 -5.526 92 HB3 PHE 10 3HB PHE 10 7.356 -21.306 -4.426 93 HD1 PHE 10 HD1 PHE 10 5.131 -24.306 -4.377 94 HD2 PHE 10 HD2 PHE 10 9.057 -22.736 -3.893 95 HE1 PHE 10 HE1 PHE 10 5.960 -26.557 -3.831 96 HE2 PHE 10 HE2 PHE 10 9.893 -24.985 -3.347 97 HZ PHE 10 HZ PHE 10 8.344 -26.899 -3.316 98 H ARG 11 H ARG 11 4.139 -20.629 -1.584 99 HA ARG 11 HA ARG 11 6.497 -20.749 0.181 100 HB2 ARG 11 2HB ARG 11 5.582 -18.860 1.407 101 HB3 ARG 11 3HB ARG 11 5.751 -18.448 -0.294 102 HG2 ARG 11 2HG ARG 11 3.139 -19.474 0.712 103 HG3 ARG 11 3HG ARG 11 3.597 -17.797 1.014 104 HD2 ARG 11 2HD ARG 11 4.184 -17.970 -1.602 105 HD3 ARG 11 3HD ARG 11 2.876 -19.149 -1.511 106 HE ARG 11 HE ARG 11 2.288 -16.621 -0.258 107 HH11 ARG 11 1HH1 ARG 11 2.206 -18.468 -3.208 108 HH12 ARG 11 2HH1 ARG 11 0.939 -17.523 -3.918 109 HH21 ARG 11 1HH2 ARG 11 0.620 -15.370 -1.182 110 HH22 ARG 11 2HH2 ARG 11 0.038 -15.760 -2.765 111 H LYS 12 H LYS 12 6.236 -21.506 2.279 112 HA LYS 12 HA LYS 12 4.051 -23.358 2.635 113 HB2 LYS 12 2HB LYS 12 6.540 -22.716 4.195 114 HB3 LYS 12 3HB LYS 12 5.291 -23.756 4.868 115 HG2 LYS 12 2HG LYS 12 5.670 -25.433 3.326 116 HG3 LYS 12 3HG LYS 12 6.425 -24.337 2.167 117 HD2 LYS 12 2HD LYS 12 8.316 -24.069 3.792 118 HD3 LYS 12 3HD LYS 12 7.584 -25.352 4.759 119 HE2 LYS 12 2HE LYS 12 8.400 -25.643 1.870 120 HE3 LYS 12 3HE LYS 12 9.396 -26.133 3.240 121 HZ1 LYS 12 3HZ LYS 12 7.410 -27.538 3.912 122 HZ2 LYS 12 1HZ LYS 12 8.295 -28.060 2.568 123 HZ3 LYS 12 2HZ LYS 12 6.816 -27.270 2.352 124 H PHE 13 H PHE 13 5.429 -20.958 4.883 125 HA PHE 13 HA PHE 13 2.832 -20.662 6.148 126 HB2 PHE 13 2HB PHE 13 5.308 -20.699 7.200 127 HB3 PHE 13 3HB PHE 13 5.113 -18.962 6.990 128 HD1 PHE 13 HD1 PHE 13 3.556 -21.953 8.526 129 HD2 PHE 13 HD2 PHE 13 3.854 -17.707 8.504 130 HE1 PHE 13 HE1 PHE 13 2.251 -21.854 10.609 131 HE2 PHE 13 HE2 PHE 13 2.551 -17.601 10.588 132 HZ PHE 13 HZ PHE 13 1.748 -19.676 11.644 133 H LYS 14 H LYS 14 1.709 -18.708 6.347 134 HA LYS 14 HA LYS 14 2.290 -16.783 4.206 135 HB2 LYS 14 2HB LYS 14 -0.246 -17.520 5.655 136 HB3 LYS 14 3HB LYS 14 -0.124 -16.060 4.682 137 HG2 LYS 14 2HG LYS 14 0.478 -18.797 3.600 138 HG3 LYS 14 3HG LYS 14 -1.128 -18.068 3.548 139 HD2 LYS 14 2HD LYS 14 1.183 -16.502 2.509 140 HD3 LYS 14 3HD LYS 14 0.553 -17.828 1.529 141 HE2 LYS 14 2HE LYS 14 -1.076 -15.534 2.617 142 HE3 LYS 14 3HE LYS 14 -0.474 -15.660 0.965 143 HZ1 LYS 14 3HZ LYS 14 -2.778 -16.856 2.142 144 HZ2 LYS 14 1HZ LYS 14 -1.790 -18.017 1.409 145 HZ3 LYS 14 2HZ LYS 14 -2.363 -16.704 0.510 146 H LEU 15 H LEU 15 2.604 -14.649 4.615 147 HA LEU 15 HA LEU 15 3.259 -12.816 5.799 148 HB2 LEU 15 2HB LEU 15 0.801 -13.762 7.205 149 HB3 LEU 15 3HB LEU 15 1.710 -12.403 7.864 150 HG LEU 15 HG LEU 15 -0.194 -11.676 6.502 151 HD11 LEU 15 1HD1 LEU 15 1.180 -9.928 6.316 152 HD12 LEU 15 2HD1 LEU 15 1.511 -10.524 4.690 153 HD13 LEU 15 3HD1 LEU 15 2.587 -10.950 6.021 154 HD21 LEU 15 3HD2 LEU 15 -0.524 -12.246 4.304 155 HD22 LEU 15 1HD2 LEU 15 0.161 -13.746 4.929 156 HD23 LEU 15 2HD2 LEU 15 1.178 -12.620 4.030 157 H TYR 16 H TYR 16 4.641 -15.249 6.413 158 HA TYR 16 HA TYR 16 4.978 -15.752 9.130 159 HB2 TYR 16 2HB TYR 16 7.353 -16.450 8.388 160 HB3 TYR 16 3HB TYR 16 5.979 -17.304 7.692 161 HD1 TYR 16 HD2 TYR 16 7.842 -14.147 6.923 162 HD2 TYR 16 HD1 TYR 16 6.249 -17.814 5.468 163 HE1 TYR 16 HE2 TYR 16 8.649 -13.595 4.666 164 HE2 TYR 16 HE1 TYR 16 7.053 -17.273 3.207 165 HH TYR 16 HH TYR 16 7.659 -15.277 1.897 166 H HIS 17 H HIS 17 7.402 -15.369 10.045 167 HA HIS 17 HA HIS 17 7.546 -12.487 10.414 168 HB2 HIS 17 2HB HIS 17 7.575 -13.958 12.389 169 HB3 HIS 17 3HB HIS 17 9.053 -14.715 11.802 170 HD1 HIS 17 HD1 HIS 17 8.255 -11.007 12.013 171 HD2 HIS 17 HD2 HIS 17 10.906 -13.804 13.566 172 HE1 HIS 17 HE1 HIS 17 9.909 -9.685 13.369 173 H GLU 18 H GLU 18 8.314 -12.358 8.093 174 HA GLU 18 HA GLU 18 11.204 -12.119 8.122 175 HB2 GLU 18 2HB GLU 18 10.064 -14.397 6.999 176 HB3 GLU 18 3HB GLU 18 10.382 -13.353 5.621 177 HG2 GLU 18 2HG GLU 18 12.268 -14.777 5.963 178 HG3 GLU 18 3HG GLU 18 12.722 -13.127 6.384 179 H GLY 19 H GLY 19 10.983 -9.916 7.904 180 HA2 GLY 19 2HA GLY 19 10.823 -7.937 6.748 181 HA3 GLY 19 3HA GLY 19 10.692 -8.897 5.281 182 H LYS 20 H LYS 20 9.114 -6.754 7.285 183 HA LYS 20 HA LYS 20 6.427 -7.666 6.961 184 HB2 LYS 20 2HB LYS 20 7.762 -5.237 8.022 185 HB3 LYS 20 3HB LYS 20 6.098 -5.051 7.485 186 HG2 LYS 20 2HG LYS 20 5.774 -5.574 9.681 187 HG3 LYS 20 3HG LYS 20 5.713 -7.184 8.959 188 HD2 LYS 20 2HD LYS 20 7.782 -7.776 9.779 189 HD3 LYS 20 3HD LYS 20 8.338 -6.104 9.878 190 HE2 LYS 20 2HE LYS 20 7.966 -7.070 12.098 191 HE3 LYS 20 3HE LYS 20 6.882 -5.714 11.787 192 HZ1 LYS 20 3HZ LYS 20 6.050 -8.513 11.317 193 HZ2 LYS 20 1HZ LYS 20 5.075 -7.141 11.489 194 HZ3 LYS 20 2HZ LYS 20 5.883 -7.778 12.831 195 H PHE 21 H PHE 21 6.080 -8.042 4.774 196 HA PHE 21 HA PHE 21 5.071 -5.915 3.262 197 HB2 PHE 21 2HB PHE 21 7.766 -5.793 3.147 198 HB3 PHE 21 3HB PHE 21 7.458 -6.890 1.804 199 HD1 PHE 21 HD2 PHE 21 5.306 -6.028 0.346 200 HD2 PHE 21 HD1 PHE 21 8.018 -3.604 2.556 201 HE1 PHE 21 HE2 PHE 21 4.761 -4.110 -1.095 202 HE2 PHE 21 HE1 PHE 21 7.477 -1.681 1.119 203 HZ PHE 21 HZ PHE 21 5.847 -1.933 -0.711 204 H TRP 22 H TRP 22 3.404 -7.046 2.502 205 HA TRP 22 HA TRP 22 3.978 -9.424 0.880 206 HB2 TRP 22 2HB TRP 22 2.138 -9.225 3.227 207 HB3 TRP 22 3HB TRP 22 1.673 -10.256 1.876 208 HD1 TRP 22 HD1 TRP 22 4.566 -9.861 4.415 209 HE1 TRP 22 HE1 TRP 22 5.634 -12.175 4.772 210 HE3 TRP 22 HE3 TRP 22 1.902 -12.526 0.960 211 HZ2 TRP 22 HZ2 TRP 22 5.381 -14.785 3.727 212 HZ3 TRP 22 HZ3 TRP 22 2.377 -14.926 0.700 213 HH2 TRP 22 HH2 TRP 22 4.081 -16.031 2.056 214 H CYS 23 H CYS 23 3.722 -7.866 -0.855 215 HA CYS 23 HA CYS 23 1.192 -7.960 -2.049 216 HB2 CYS 23 2HB CYS 23 1.044 -6.115 -0.127 217 HB3 CYS 23 3HB CYS 23 1.760 -5.112 -1.386 218 HA PRO 24 HA PRO 24 4.527 -7.227 -5.028 219 HB2 PRO 24 2HB PRO 24 3.288 -8.546 -7.052 220 HB3 PRO 24 3HB PRO 24 4.205 -9.372 -5.787 221 HG2 PRO 24 2HG PRO 24 1.247 -8.979 -6.034 222 HG3 PRO 24 3HG PRO 24 2.147 -10.430 -5.553 223 HD2 PRO 24 2HD PRO 24 0.959 -8.790 -3.756 224 HD3 PRO 24 3HD PRO 24 2.453 -9.678 -3.396 Start of MODEL 3 1 H1 THR 1 H THR 1 0.173 1.071 -3.025 2 HA THR 1 HA THR 1 2.747 0.698 -2.249 3 HB THR 1 HB THR 1 0.645 -0.439 -0.453 4 HG1 THR 1 HG1 THR 1 -0.358 1.459 -0.234 5 HG21 THR 1 3HG2 THR 1 3.057 1.333 -0.142 6 HG22 THR 1 1HG2 THR 1 2.785 -0.274 0.531 7 HG23 THR 1 2HG2 THR 1 1.880 1.107 1.151 8 H CYS 2 H CYS 2 2.425 -1.244 -4.202 9 HA CYS 2 HA CYS 2 3.076 -3.669 -2.675 10 HB2 CYS 2 2HB CYS 2 1.405 -3.616 -5.198 11 HB3 CYS 2 3HB CYS 2 1.900 -5.055 -4.313 12 H HIS 3 H HIS 3 5.187 -3.918 -3.029 13 HA HIS 3 HA HIS 3 6.118 -4.193 -5.769 14 HB2 HIS 3 2HB HIS 3 6.465 -1.780 -5.060 15 HB3 HIS 3 3HB HIS 3 7.610 -2.385 -3.867 16 HD1 HIS 3 HD1 HIS 3 9.709 -1.410 -4.877 17 HD2 HIS 3 HD2 HIS 3 7.526 -3.697 -7.572 18 HE1 HIS 3 HE1 HIS 3 11.190 -1.669 -6.893 19 H ILE 4 H ILE 4 6.956 -6.169 -5.743 20 HA ILE 4 HA ILE 4 8.885 -6.840 -3.633 21 HB ILE 4 HB ILE 4 6.844 -8.811 -4.659 22 HG12 ILE 4 2HG1 ILE 4 5.773 -7.023 -3.322 23 HG13 ILE 4 3HG1 ILE 4 5.711 -8.587 -2.517 24 HG21 ILE 4 1HG2 ILE 4 8.391 -10.227 -3.866 25 HG22 ILE 4 2HG2 ILE 4 9.215 -8.967 -2.948 26 HG23 ILE 4 3HG2 ILE 4 7.782 -9.749 -2.282 27 HD11 ILE 4 3HD1 ILE 4 6.709 -6.141 -1.533 28 HD12 ILE 4 1HD1 ILE 4 6.670 -7.712 -0.733 29 HD13 ILE 4 2HD1 ILE 4 8.074 -7.246 -1.693 30 H ARG 5 H ARG 5 10.516 -8.303 -4.240 31 HA ARG 5 HA ARG 5 11.552 -8.047 -6.785 32 HB2 ARG 5 2HB ARG 5 12.960 -10.049 -6.206 33 HB3 ARG 5 3HB ARG 5 12.977 -8.760 -5.009 34 HG2 ARG 5 2HG ARG 5 11.234 -10.051 -3.744 35 HG3 ARG 5 3HG ARG 5 11.516 -11.382 -4.867 36 HD2 ARG 5 2HD ARG 5 12.797 -11.591 -2.759 37 HD3 ARG 5 3HD ARG 5 13.819 -11.531 -4.194 38 HE ARG 5 HE ARG 5 13.411 -8.971 -2.949 39 HH11 ARG 5 1HH1 ARG 5 15.337 -11.871 -2.979 40 HH12 ARG 5 2HH1 ARG 5 16.722 -11.115 -2.263 41 HH21 ARG 5 1HH2 ARG 5 15.227 -7.964 -2.006 42 HH22 ARG 5 2HH2 ARG 5 16.658 -8.893 -1.709 43 H ARG 6 H ARG 6 9.393 -10.520 -5.512 44 HA ARG 6 HA ARG 6 8.499 -11.200 -8.146 45 HB2 ARG 6 2HB ARG 6 10.467 -12.913 -6.750 46 HB3 ARG 6 3HB ARG 6 9.090 -13.745 -7.460 47 HG2 ARG 6 2HG ARG 6 9.757 -12.215 -9.538 48 HG3 ARG 6 3HG ARG 6 11.338 -12.339 -8.763 49 HD2 ARG 6 2HD ARG 6 10.917 -14.851 -8.684 50 HD3 ARG 6 3HD ARG 6 9.583 -14.549 -9.797 51 HE ARG 6 HE ARG 6 12.397 -14.490 -10.400 52 HH11 ARG 6 1HH1 ARG 6 9.227 -13.413 -11.353 53 HH12 ARG 6 2HH1 ARG 6 9.666 -13.165 -13.010 54 HH21 ARG 6 1HH2 ARG 6 12.988 -14.168 -12.580 55 HH22 ARG 6 2HH2 ARG 6 11.806 -13.596 -13.707 56 H LYS 7 H LYS 7 6.399 -11.596 -7.978 57 HA LYS 7 HA LYS 7 4.970 -11.651 -5.618 58 HB2 LYS 7 2HB LYS 7 3.114 -12.653 -6.995 59 HB3 LYS 7 3HB LYS 7 3.823 -11.185 -7.654 60 HG2 LYS 7 2HG LYS 7 3.611 -12.554 -9.507 61 HG3 LYS 7 3HG LYS 7 5.299 -12.774 -9.039 62 HD2 LYS 7 2HD LYS 7 4.977 -14.925 -8.385 63 HD3 LYS 7 3HD LYS 7 3.329 -14.623 -7.829 64 HE2 LYS 7 2HE LYS 7 4.187 -14.807 -10.716 65 HE3 LYS 7 3HE LYS 7 3.421 -16.105 -9.801 66 HZ1 LYS 7 3HZ LYS 7 1.428 -15.212 -10.122 67 HZ2 LYS 7 1HZ LYS 7 2.143 -14.174 -11.251 68 HZ3 LYS 7 2HZ LYS 7 1.940 -13.670 -9.649 69 HA PRO 8 HA PRO 8 5.324 -15.675 -3.899 70 HB2 PRO 8 2HB PRO 8 2.844 -16.033 -2.853 71 HB3 PRO 8 3HB PRO 8 4.029 -14.920 -2.158 72 HG2 PRO 8 2HG PRO 8 1.712 -14.335 -3.961 73 HG3 PRO 8 3HG PRO 8 2.262 -13.454 -2.525 74 HD2 PRO 8 2HD PRO 8 2.827 -12.633 -5.042 75 HD3 PRO 8 3HD PRO 8 3.931 -12.361 -3.679 76 H LYS 9 H LYS 9 5.218 -17.705 -4.649 77 HA LYS 9 HA LYS 9 3.018 -18.407 -6.479 78 HB2 LYS 9 2HB LYS 9 4.644 -19.818 -7.722 79 HB3 LYS 9 3HB LYS 9 5.010 -18.099 -7.804 80 HG2 LYS 9 2HG LYS 9 7.084 -18.694 -7.257 81 HG3 LYS 9 3HG LYS 9 6.453 -18.900 -5.621 82 HD2 LYS 9 2HD LYS 9 7.238 -20.995 -5.803 83 HD3 LYS 9 3HD LYS 9 5.794 -21.282 -6.776 84 HE2 LYS 9 2HE LYS 9 8.346 -20.280 -7.999 85 HE3 LYS 9 3HE LYS 9 8.061 -22.000 -7.739 86 HZ1 LYS 9 3HZ LYS 9 5.927 -21.647 -9.018 87 HZ2 LYS 9 1HZ LYS 9 7.359 -21.562 -9.915 88 HZ3 LYS 9 2HZ LYS 9 6.550 -20.143 -9.477 89 H PHE 10 H PHE 10 5.367 -19.534 -4.106 90 HA PHE 10 HA PHE 10 3.509 -21.519 -3.157 91 HB2 PHE 10 2HB PHE 10 5.901 -22.263 -4.766 92 HB3 PHE 10 3HB PHE 10 5.529 -23.252 -3.358 93 HD1 PHE 10 HD1 PHE 10 2.773 -23.621 -3.242 94 HD2 PHE 10 HD2 PHE 10 5.189 -23.203 -6.722 95 HE1 PHE 10 HE1 PHE 10 1.095 -24.855 -4.552 96 HE2 PHE 10 HE2 PHE 10 3.514 -24.435 -8.037 97 HZ PHE 10 HZ PHE 10 1.463 -25.262 -6.952 98 H ARG 11 H ARG 11 3.577 -21.084 -1.055 99 HA ARG 11 HA ARG 11 6.171 -21.117 0.299 100 HB2 ARG 11 2HB ARG 11 5.627 -19.148 1.624 101 HB3 ARG 11 3HB ARG 11 5.632 -18.748 -0.089 102 HG2 ARG 11 2HG ARG 11 3.072 -19.472 1.266 103 HG3 ARG 11 3HG ARG 11 3.745 -17.850 1.442 104 HD2 ARG 11 2HD ARG 11 3.910 -17.864 -1.121 105 HD3 ARG 11 3HD ARG 11 2.815 -19.244 -1.047 106 HE ARG 11 HE ARG 11 1.910 -16.934 0.418 107 HH11 ARG 11 1HH1 ARG 11 1.948 -18.564 -2.658 108 HH12 ARG 11 2HH1 ARG 11 0.507 -17.791 -3.232 109 HH21 ARG 11 1HH2 ARG 11 0.013 -15.910 -0.326 110 HH22 ARG 11 2HH2 ARG 11 -0.592 -16.282 -1.905 111 H LYS 12 H LYS 12 6.117 -21.882 2.401 112 HA LYS 12 HA LYS 12 4.013 -23.652 3.052 113 HB2 LYS 12 2HB LYS 12 6.431 -22.655 4.530 114 HB3 LYS 12 3HB LYS 12 5.251 -23.681 5.333 115 HG2 LYS 12 2HG LYS 12 5.613 -25.425 3.679 116 HG3 LYS 12 3HG LYS 12 6.763 -24.392 2.827 117 HD2 LYS 12 2HD LYS 12 7.089 -25.251 5.698 118 HD3 LYS 12 3HD LYS 12 7.800 -26.110 4.330 119 HE2 LYS 12 2HE LYS 12 8.911 -23.948 3.688 120 HE3 LYS 12 3HE LYS 12 8.355 -23.288 5.226 121 HZ1 LYS 12 3HZ LYS 12 9.713 -25.807 5.488 122 HZ2 LYS 12 1HZ LYS 12 9.945 -24.360 6.333 123 HZ3 LYS 12 2HZ LYS 12 10.692 -24.592 4.834 124 H PHE 13 H PHE 13 5.174 -21.048 5.177 125 HA PHE 13 HA PHE 13 2.496 -20.752 6.257 126 HB2 PHE 13 2HB PHE 13 5.229 -19.891 7.064 127 HB3 PHE 13 3HB PHE 13 3.874 -18.917 7.623 128 HD1 PHE 13 HD1 PHE 13 4.679 -22.551 7.305 129 HD2 PHE 13 HD2 PHE 13 3.129 -19.412 9.726 130 HE1 PHE 13 HE1 PHE 13 4.286 -24.156 9.128 131 HE2 PHE 13 HE2 PHE 13 2.735 -21.012 11.553 132 HZ PHE 13 HZ PHE 13 3.314 -23.387 11.256 133 H LYS 14 H LYS 14 1.994 -18.303 6.845 134 HA LYS 14 HA LYS 14 2.426 -16.661 4.443 135 HB2 LYS 14 2HB LYS 14 -0.170 -17.323 5.809 136 HB3 LYS 14 3HB LYS 14 0.008 -15.853 4.861 137 HG2 LYS 14 2HG LYS 14 0.765 -18.466 3.646 138 HG3 LYS 14 3HG LYS 14 -0.940 -18.029 3.779 139 HD2 LYS 14 2HD LYS 14 1.041 -16.109 2.612 140 HD3 LYS 14 3HD LYS 14 0.357 -17.403 1.626 141 HE2 LYS 14 2HE LYS 14 -1.189 -15.792 1.202 142 HE3 LYS 14 3HE LYS 14 -1.903 -16.467 2.666 143 HZ1 LYS 14 3HZ LYS 14 -1.395 -14.639 3.866 144 HZ2 LYS 14 1HZ LYS 14 -1.447 -13.886 2.353 145 HZ3 LYS 14 2HZ LYS 14 0.040 -14.327 3.027 146 H LEU 15 H LEU 15 2.694 -14.492 4.780 147 HA LEU 15 HA LEU 15 3.348 -12.629 5.916 148 HB2 LEU 15 2HB LEU 15 0.905 -13.548 7.371 149 HB3 LEU 15 3HB LEU 15 1.808 -12.156 7.966 150 HG LEU 15 HG LEU 15 -0.096 -11.467 6.613 151 HD11 LEU 15 1HD1 LEU 15 2.651 -10.767 6.099 152 HD12 LEU 15 2HD1 LEU 15 1.223 -9.736 6.180 153 HD13 LEU 15 3HD1 LEU 15 1.655 -10.526 4.664 154 HD21 LEU 15 3HD2 LEU 15 -0.351 -12.031 4.330 155 HD22 LEU 15 1HD2 LEU 15 -0.065 -13.548 5.183 156 HD23 LEU 15 2HD2 LEU 15 1.239 -12.793 4.265 157 H TYR 16 H TYR 16 4.722 -15.061 6.592 158 HA TYR 16 HA TYR 16 5.077 -15.483 9.319 159 HB2 TYR 16 2HB TYR 16 7.445 -16.209 8.583 160 HB3 TYR 16 3HB TYR 16 6.065 -17.080 7.924 161 HD1 TYR 16 HD2 TYR 16 7.915 -13.946 7.041 162 HD2 TYR 16 HD1 TYR 16 6.331 -17.667 5.718 163 HE1 TYR 16 HE2 TYR 16 8.707 -13.466 4.762 164 HE2 TYR 16 HE1 TYR 16 7.119 -17.198 3.436 165 HH TYR 16 HH TYR 16 8.760 -15.841 2.297 166 H HIS 17 H HIS 17 7.491 -15.079 10.226 167 HA HIS 17 HA HIS 17 7.649 -12.191 10.511 168 HB2 HIS 17 2HB HIS 17 7.699 -13.614 12.521 169 HB3 HIS 17 3HB HIS 17 9.172 -14.383 11.937 170 HD1 HIS 17 HD1 HIS 17 7.957 -10.934 12.966 171 HD2 HIS 17 HD2 HIS 17 11.456 -13.164 12.757 172 HE1 HIS 17 HE1 HIS 17 9.727 -9.511 14.045 173 H GLU 18 H GLU 18 8.393 -12.121 8.178 174 HA GLU 18 HA GLU 18 11.282 -11.877 8.172 175 HB2 GLU 18 2HB GLU 18 10.137 -14.187 7.124 176 HB3 GLU 18 3HB GLU 18 10.436 -13.180 5.714 177 HG2 GLU 18 2HG GLU 18 12.758 -13.031 6.216 178 HG3 GLU 18 3HG GLU 18 12.524 -13.800 7.785 179 H GLY 19 H GLY 19 10.993 -9.671 7.931 180 HA2 GLY 19 2HA GLY 19 10.816 -7.721 6.728 181 HA3 GLY 19 3HA GLY 19 10.719 -8.714 5.281 182 H LYS 20 H LYS 20 9.101 -6.505 7.129 183 HA LYS 20 HA LYS 20 6.425 -7.489 6.826 184 HB2 LYS 20 2HB LYS 20 7.698 -4.993 7.826 185 HB3 LYS 20 3HB LYS 20 6.023 -4.887 7.300 186 HG2 LYS 20 2HG LYS 20 5.549 -6.832 8.840 187 HG3 LYS 20 3HG LYS 20 7.171 -6.588 9.493 188 HD2 LYS 20 2HD LYS 20 5.201 -4.330 9.326 189 HD3 LYS 20 3HD LYS 20 5.190 -5.456 10.686 190 HE2 LYS 20 2HE LYS 20 7.738 -4.910 10.790 191 HE3 LYS 20 3HE LYS 20 7.277 -3.476 9.874 192 HZ1 LYS 20 3HZ LYS 20 5.470 -3.702 11.964 193 HZ2 LYS 20 1HZ LYS 20 6.693 -2.547 11.781 194 HZ3 LYS 20 2HZ LYS 20 6.998 -3.972 12.638 195 H PHE 21 H PHE 21 6.120 -7.920 4.643 196 HA PHE 21 HA PHE 21 5.088 -5.855 3.069 197 HB2 PHE 21 2HB PHE 21 7.796 -5.686 3.002 198 HB3 PHE 21 3HB PHE 21 7.509 -6.771 1.646 199 HD1 PHE 21 HD2 PHE 21 5.064 -5.793 0.473 200 HD2 PHE 21 HD1 PHE 21 8.313 -3.615 2.150 201 HE1 PHE 21 HE2 PHE 21 4.501 -3.865 -0.948 202 HE2 PHE 21 HE1 PHE 21 7.755 -1.683 0.732 203 HZ PHE 21 HZ PHE 21 5.847 -1.807 -0.821 204 H TRP 22 H TRP 22 3.471 -7.054 2.303 205 HA TRP 22 HA TRP 22 4.153 -9.466 0.770 206 HB2 TRP 22 2HB TRP 22 2.200 -9.200 3.015 207 HB3 TRP 22 3HB TRP 22 1.806 -10.281 1.681 208 HD1 TRP 22 HD1 TRP 22 4.604 -9.768 4.308 209 HE1 TRP 22 HE1 TRP 22 5.654 -12.064 4.809 210 HE3 TRP 22 HE3 TRP 22 2.047 -12.591 0.899 211 HZ2 TRP 22 HZ2 TRP 22 5.429 -14.720 3.881 212 HZ3 TRP 22 HZ3 TRP 22 2.523 -15.002 0.769 213 HH2 TRP 22 HH2 TRP 22 4.180 -16.042 2.229 214 H CYS 23 H CYS 23 3.973 -7.970 -1.031 215 HA CYS 23 HA CYS 23 1.501 -8.135 -2.341 216 HB2 CYS 23 2HB CYS 23 1.202 -6.242 -0.522 217 HB3 CYS 23 3HB CYS 23 2.054 -5.266 -1.714 218 HA PRO 24 HA PRO 24 4.975 -7.510 -5.186 219 HB2 PRO 24 2HB PRO 24 3.842 -8.924 -7.208 220 HB3 PRO 24 3HB PRO 24 4.701 -9.688 -5.865 221 HG2 PRO 24 2HG PRO 24 1.757 -9.328 -6.271 222 HG3 PRO 24 3HG PRO 24 2.640 -10.750 -5.684 223 HD2 PRO 24 2HD PRO 24 1.357 -9.043 -4.019 224 HD3 PRO 24 3HD PRO 24 2.838 -9.903 -3.550 Start of MODEL 4 1 H1 THR 1 H THR 1 3.562 0.005 0.104 2 HA THR 1 HA THR 1 1.441 0.333 -1.790 3 HB THR 1 HB THR 1 2.811 1.381 -3.572 4 HG1 THR 1 HG1 THR 1 4.796 2.221 -3.098 5 HG21 THR 1 3HG2 THR 1 1.729 2.675 -1.232 6 HG22 THR 1 1HG2 THR 1 1.673 3.185 -2.919 7 HG23 THR 1 2HG2 THR 1 3.053 3.620 -1.912 8 H CYS 2 H CYS 2 1.374 -1.384 -3.113 9 HA CYS 2 HA CYS 2 3.285 -3.477 -2.806 10 HB2 CYS 2 2HB CYS 2 1.138 -3.299 -4.921 11 HB3 CYS 2 3HB CYS 2 1.885 -4.753 -4.268 12 H HIS 3 H HIS 3 5.280 -2.772 -3.525 13 HA HIS 3 HA HIS 3 5.538 -2.581 -6.441 14 HB2 HIS 3 2HB HIS 3 5.668 -0.317 -5.094 15 HB3 HIS 3 3HB HIS 3 7.300 -0.871 -4.733 16 HD1 HIS 3 HD1 HIS 3 5.802 1.337 -6.915 17 HD2 HIS 3 HD2 HIS 3 8.427 -1.827 -7.516 18 HE1 HIS 3 HE1 HIS 3 6.895 1.782 -9.136 19 H ILE 4 H ILE 4 6.314 -4.690 -6.511 20 HA ILE 4 HA ILE 4 9.087 -5.022 -6.212 21 HB ILE 4 HB ILE 4 8.593 -5.145 -3.819 22 HG12 ILE 4 2HG1 ILE 4 9.649 -7.329 -3.366 23 HG13 ILE 4 3HG1 ILE 4 9.310 -7.830 -5.019 24 HG21 ILE 4 1HG2 ILE 4 6.978 -6.421 -2.876 25 HG22 ILE 4 2HG2 ILE 4 6.243 -6.238 -4.468 26 HG23 ILE 4 3HG2 ILE 4 7.138 -7.706 -4.074 27 HD11 ILE 4 3HD1 ILE 4 10.836 -5.327 -4.683 28 HD12 ILE 4 1HD1 ILE 4 11.653 -6.829 -4.250 29 HD13 ILE 4 2HD1 ILE 4 11.005 -6.614 -5.876 30 H ARG 5 H ARG 5 9.699 -6.544 -7.611 31 HA ARG 5 HA ARG 5 7.830 -7.987 -9.141 32 HB2 ARG 5 2HB ARG 5 9.818 -9.149 -10.076 33 HB3 ARG 5 3HB ARG 5 9.974 -7.397 -10.073 34 HG2 ARG 5 2HG ARG 5 11.169 -7.840 -7.771 35 HG3 ARG 5 3HG ARG 5 11.429 -9.437 -8.477 36 HD2 ARG 5 2HD ARG 5 12.203 -8.012 -10.556 37 HD3 ARG 5 3HD ARG 5 12.482 -6.783 -9.323 38 HE ARG 5 HE ARG 5 13.631 -9.306 -8.629 39 HH11 ARG 5 1HH1 ARG 5 14.106 -6.412 -10.505 40 HH12 ARG 5 2HH1 ARG 5 15.834 -6.539 -10.505 41 HH21 ARG 5 1HH2 ARG 5 15.905 -9.485 -8.622 42 HH22 ARG 5 2HH2 ARG 5 16.856 -8.288 -9.435 43 H ARG 6 H ARG 6 9.949 -8.962 -6.476 44 HA ARG 6 HA ARG 6 9.452 -11.705 -6.527 45 HB2 ARG 6 2HB ARG 6 10.349 -9.765 -4.453 46 HB3 ARG 6 3HB ARG 6 9.836 -11.358 -3.913 47 HG2 ARG 6 2HG ARG 6 11.886 -10.972 -6.072 48 HG3 ARG 6 3HG ARG 6 12.303 -11.049 -4.359 49 HD2 ARG 6 2HD ARG 6 10.621 -13.193 -5.586 50 HD3 ARG 6 3HD ARG 6 12.369 -13.208 -5.816 51 HE ARG 6 HE ARG 6 10.942 -13.864 -3.426 52 HH11 ARG 6 1HH1 ARG 6 13.939 -12.609 -4.674 53 HH12 ARG 6 2HH1 ARG 6 14.866 -13.085 -3.290 54 HH21 ARG 6 1HH2 ARG 6 12.151 -14.496 -1.598 55 HH22 ARG 6 2HH2 ARG 6 13.848 -14.159 -1.541 56 H LYS 7 H LYS 7 7.417 -12.452 -6.705 57 HA LYS 7 HA LYS 7 5.363 -11.403 -4.888 58 HB2 LYS 7 2HB LYS 7 3.744 -12.498 -6.372 59 HB3 LYS 7 3HB LYS 7 4.779 -11.387 -7.260 60 HG2 LYS 7 2HG LYS 7 4.780 -13.174 -8.675 61 HG3 LYS 7 3HG LYS 7 6.197 -13.552 -7.692 62 HD2 LYS 7 2HD LYS 7 5.172 -15.297 -6.645 63 HD3 LYS 7 3HD LYS 7 3.572 -14.557 -6.742 64 HE2 LYS 7 2HE LYS 7 4.970 -15.521 -9.210 65 HE3 LYS 7 3HE LYS 7 4.085 -16.646 -8.181 66 HZ1 LYS 7 3HZ LYS 7 2.630 -14.244 -8.844 67 HZ2 LYS 7 1HZ LYS 7 2.128 -15.860 -8.879 68 HZ3 LYS 7 2HZ LYS 7 2.996 -15.216 -10.180 69 HA PRO 8 HA PRO 8 5.311 -15.027 -2.410 70 HB2 PRO 8 2HB PRO 8 2.680 -15.178 -1.759 71 HB3 PRO 8 3HB PRO 8 3.767 -13.956 -1.088 72 HG2 PRO 8 2HG PRO 8 1.809 -13.718 -3.340 73 HG3 PRO 8 3HG PRO 8 2.138 -12.582 -2.020 74 HD2 PRO 8 2HD PRO 8 3.147 -12.252 -4.511 75 HD3 PRO 8 3HD PRO 8 4.014 -11.729 -3.052 76 H LYS 9 H LYS 9 5.342 -17.138 -2.858 77 HA LYS 9 HA LYS 9 3.228 -18.568 -4.049 78 HB2 LYS 9 2HB LYS 9 4.227 -17.251 -6.025 79 HB3 LYS 9 3HB LYS 9 5.600 -18.341 -5.888 80 HG2 LYS 9 2HG LYS 9 2.940 -19.609 -6.010 81 HG3 LYS 9 3HG LYS 9 3.495 -18.800 -7.477 82 HD2 LYS 9 2HD LYS 9 5.728 -20.157 -6.787 83 HD3 LYS 9 3HD LYS 9 4.486 -21.247 -6.165 84 HE2 LYS 9 2HE LYS 9 4.908 -21.943 -8.380 85 HE3 LYS 9 3HE LYS 9 3.380 -21.064 -8.433 86 HZ1 LYS 9 3HZ LYS 9 4.295 -19.354 -9.592 87 HZ2 LYS 9 1HZ LYS 9 5.290 -20.602 -10.154 88 HZ3 LYS 9 2HZ LYS 9 5.841 -19.564 -8.937 89 H PHE 10 H PHE 10 3.614 -20.818 -4.118 90 HA PHE 10 HA PHE 10 4.452 -22.746 -3.238 91 HB2 PHE 10 2HB PHE 10 6.095 -22.085 -5.147 92 HB3 PHE 10 3HB PHE 10 7.210 -21.720 -3.834 93 HD1 PHE 10 HD1 PHE 10 4.925 -24.453 -4.942 94 HD2 PHE 10 HD2 PHE 10 8.627 -23.382 -3.135 95 HE1 PHE 10 HE1 PHE 10 5.548 -26.830 -4.820 96 HE2 PHE 10 HE2 PHE 10 9.257 -25.757 -3.011 97 HZ PHE 10 HZ PHE 10 7.718 -27.485 -3.855 98 H ARG 11 H ARG 11 3.920 -20.868 -1.297 99 HA ARG 11 HA ARG 11 6.149 -21.231 0.597 100 HB2 ARG 11 2HB ARG 11 5.389 -19.225 1.751 101 HB3 ARG 11 3HB ARG 11 5.721 -18.869 0.061 102 HG2 ARG 11 2HG ARG 11 2.940 -19.598 0.727 103 HG3 ARG 11 3HG ARG 11 3.521 -18.047 1.334 104 HD2 ARG 11 2HD ARG 11 4.157 -17.381 -0.914 105 HD3 ARG 11 3HD ARG 11 3.661 -18.954 -1.539 106 HE ARG 11 HE ARG 11 1.953 -16.738 -0.847 107 HH11 ARG 11 1HH1 ARG 11 2.154 -20.174 -1.368 108 HH12 ARG 11 2HH1 ARG 11 0.468 -20.351 -1.723 109 HH21 ARG 11 1HH2 ARG 11 -0.269 -16.958 -1.313 110 HH22 ARG 11 2HH2 ARG 11 -0.910 -18.521 -1.693 111 H LYS 12 H LYS 12 5.674 -21.875 2.705 112 HA LYS 12 HA LYS 12 3.254 -23.442 2.957 113 HB2 LYS 12 2HB LYS 12 5.795 -23.178 4.511 114 HB3 LYS 12 3HB LYS 12 4.386 -23.877 5.298 115 HG2 LYS 12 2HG LYS 12 5.303 -24.906 2.645 116 HG3 LYS 12 3HG LYS 12 6.087 -25.430 4.137 117 HD2 LYS 12 2HD LYS 12 3.113 -25.514 3.980 118 HD3 LYS 12 3HD LYS 12 4.039 -26.751 3.127 119 HE2 LYS 12 2HE LYS 12 3.808 -27.779 5.150 120 HE3 LYS 12 3HE LYS 12 5.304 -26.893 5.443 121 HZ1 LYS 12 3HZ LYS 12 2.855 -25.461 6.052 122 HZ2 LYS 12 1HZ LYS 12 4.312 -25.531 6.909 123 HZ3 LYS 12 2HZ LYS 12 3.187 -26.786 7.050 124 H PHE 13 H PHE 13 4.851 -21.233 5.255 125 HA PHE 13 HA PHE 13 2.287 -20.595 6.442 126 HB2 PHE 13 2HB PHE 13 5.145 -19.990 7.120 127 HB3 PHE 13 3HB PHE 13 3.851 -19.061 7.871 128 HD1 PHE 13 HD1 PHE 13 2.307 -20.105 9.423 129 HD2 PHE 13 HD2 PHE 13 5.490 -22.311 7.655 130 HE1 PHE 13 HE1 PHE 13 2.002 -21.883 11.098 131 HE2 PHE 13 HE2 PHE 13 5.188 -24.091 9.326 132 HZ PHE 13 HZ PHE 13 3.442 -23.879 11.049 133 H LYS 14 H LYS 14 1.209 -18.689 6.304 134 HA LYS 14 HA LYS 14 2.109 -16.835 4.231 135 HB2 LYS 14 2HB LYS 14 -0.528 -17.457 5.501 136 HB3 LYS 14 3HB LYS 14 -0.294 -15.889 4.739 137 HG2 LYS 14 2HG LYS 14 0.420 -18.345 3.217 138 HG3 LYS 14 3HG LYS 14 -1.281 -17.908 3.399 139 HD2 LYS 14 2HD LYS 14 -0.231 -15.520 2.691 140 HD3 LYS 14 3HD LYS 14 0.857 -16.615 1.833 141 HE2 LYS 14 2HE LYS 14 -0.931 -16.092 0.353 142 HE3 LYS 14 3HE LYS 14 -1.175 -17.750 0.901 143 HZ1 LYS 14 3HZ LYS 14 -3.158 -17.188 1.670 144 HZ2 LYS 14 1HZ LYS 14 -2.953 -15.617 1.075 145 HZ3 LYS 14 2HZ LYS 14 -2.489 -15.989 2.658 146 H LEU 15 H LEU 15 2.542 -14.704 4.584 147 HA LEU 15 HA LEU 15 3.294 -12.889 5.738 148 HB2 LEU 15 2HB LEU 15 0.743 -13.625 7.105 149 HB3 LEU 15 3HB LEU 15 1.728 -12.314 7.750 150 HG LEU 15 HG LEU 15 -0.090 -11.498 6.321 151 HD11 LEU 15 1HD1 LEU 15 2.745 -10.976 5.891 152 HD12 LEU 15 2HD1 LEU 15 1.406 -9.853 6.127 153 HD13 LEU 15 3HD1 LEU 15 1.730 -10.513 4.524 154 HD21 LEU 15 3HD2 LEU 15 -0.044 -13.549 4.828 155 HD22 LEU 15 1HD2 LEU 15 1.320 -12.793 4.004 156 HD23 LEU 15 2HD2 LEU 15 -0.251 -11.993 4.023 157 H TYR 16 H TYR 16 4.505 -15.377 6.441 158 HA TYR 16 HA TYR 16 4.736 -15.848 9.175 159 HB2 TYR 16 2HB TYR 16 7.084 -16.699 8.513 160 HB3 TYR 16 3HB TYR 16 5.682 -17.484 7.795 161 HD1 TYR 16 HD2 TYR 16 7.734 -14.449 7.018 162 HD2 TYR 16 HD1 TYR 16 5.998 -18.062 5.593 163 HE1 TYR 16 HE2 TYR 16 8.634 -13.990 4.776 164 HE2 TYR 16 HE1 TYR 16 6.894 -17.614 3.347 165 HH TYR 16 HH TYR 16 8.040 -14.649 2.383 166 H HIS 17 H HIS 17 7.153 -15.592 10.152 167 HA HIS 17 HA HIS 17 7.456 -12.718 10.482 168 HB2 HIS 17 2HB HIS 17 7.358 -14.163 12.475 169 HB3 HIS 17 3HB HIS 17 8.806 -15.005 11.933 170 HD1 HIS 17 HD1 HIS 17 10.954 -14.111 12.789 171 HD2 HIS 17 HD2 HIS 17 7.900 -11.304 13.014 172 HE1 HIS 17 HE1 HIS 17 11.945 -12.135 13.986 173 H GLU 18 H GLU 18 8.279 -12.674 8.174 174 HA GLU 18 HA GLU 18 11.176 -12.586 8.267 175 HB2 GLU 18 2HB GLU 18 9.943 -14.825 7.160 176 HB3 GLU 18 3HB GLU 18 10.353 -13.827 5.772 177 HG2 GLU 18 2HG GLU 18 12.682 -13.701 6.630 178 HG3 GLU 18 3HG GLU 18 12.229 -14.850 7.888 179 H GLY 19 H GLY 19 11.028 -10.369 8.024 180 HA2 GLY 19 2HA GLY 19 11.008 -8.411 6.821 181 HA3 GLY 19 3HA GLY 19 10.874 -9.392 5.369 182 H LYS 20 H LYS 20 9.386 -7.050 7.122 183 HA LYS 20 HA LYS 20 6.650 -7.868 6.801 184 HB2 LYS 20 2HB LYS 20 8.074 -5.470 7.823 185 HB3 LYS 20 3HB LYS 20 6.433 -5.228 7.237 186 HG2 LYS 20 2HG LYS 20 6.028 -5.665 9.438 187 HG3 LYS 20 3HG LYS 20 5.919 -7.295 8.770 188 HD2 LYS 20 2HD LYS 20 8.130 -7.821 9.496 189 HD3 LYS 20 3HD LYS 20 8.448 -6.140 9.934 190 HE2 LYS 20 2HE LYS 20 8.012 -7.215 11.971 191 HE3 LYS 20 3HE LYS 20 6.509 -6.382 11.575 192 HZ1 LYS 20 3HZ LYS 20 6.066 -8.617 12.331 193 HZ2 LYS 20 1HZ LYS 20 7.074 -9.265 11.136 194 HZ3 LYS 20 2HZ LYS 20 5.643 -8.476 10.700 195 H PHE 21 H PHE 21 6.349 -8.295 4.617 196 HA PHE 21 HA PHE 21 5.501 -6.169 3.009 197 HB2 PHE 21 2HB PHE 21 8.202 -6.191 2.978 198 HB3 PHE 21 3HB PHE 21 7.876 -7.311 1.659 199 HD1 PHE 21 HD2 PHE 21 5.860 -6.400 0.075 200 HD2 PHE 21 HD1 PHE 21 8.547 -4.021 2.364 201 HE1 PHE 21 HE2 PHE 21 5.462 -4.501 -1.438 202 HE2 PHE 21 HE1 PHE 21 8.152 -2.118 0.854 203 HZ PHE 21 HZ PHE 21 6.609 -2.357 -1.050 204 H TRP 22 H TRP 22 3.796 -7.248 2.252 205 HA TRP 22 HA TRP 22 4.295 -9.696 0.712 206 HB2 TRP 22 2HB TRP 22 2.406 -9.337 2.999 207 HB3 TRP 22 3HB TRP 22 1.927 -10.384 1.666 208 HD1 TRP 22 HD1 TRP 22 4.797 -10.048 4.243 209 HE1 TRP 22 HE1 TRP 22 5.727 -12.402 4.708 210 HE3 TRP 22 HE3 TRP 22 2.025 -12.698 0.862 211 HZ2 TRP 22 HZ2 TRP 22 5.338 -15.035 3.766 212 HZ3 TRP 22 HZ3 TRP 22 2.365 -15.130 0.707 213 HH2 TRP 22 HH2 TRP 22 3.988 -16.272 2.129 214 H CYS 23 H CYS 23 4.164 -8.177 -1.073 215 HA CYS 23 HA CYS 23 1.666 -8.186 -2.336 216 HB2 CYS 23 2HB CYS 23 1.554 -6.281 -0.471 217 HB3 CYS 23 3HB CYS 23 2.349 -5.350 -1.736 218 HA PRO 24 HA PRO 24 5.110 -7.696 -5.239 219 HB2 PRO 24 2HB PRO 24 3.861 -9.005 -7.264 220 HB3 PRO 24 3HB PRO 24 4.701 -9.842 -5.952 221 HG2 PRO 24 2HG PRO 24 1.774 -9.310 -6.293 222 HG3 PRO 24 3HG PRO 24 2.587 -10.790 -5.750 223 HD2 PRO 24 2HD PRO 24 1.435 -9.046 -4.029 224 HD3 PRO 24 3HD PRO 24 2.873 -9.997 -3.605 Start of MODEL 5 1 H1 THR 1 H THR 1 1.778 2.283 -1.417 2 HA THR 1 HA THR 1 0.142 0.359 -2.737 3 HB THR 1 HB THR 1 -0.116 2.093 -4.411 4 HG1 THR 1 HG1 THR 1 0.185 0.640 -5.920 5 HG21 THR 1 3HG2 THR 1 1.990 3.322 -3.773 6 HG22 THR 1 1HG2 THR 1 1.707 3.170 -5.507 7 HG23 THR 1 2HG2 THR 1 2.884 2.125 -4.711 8 H CYS 2 H CYS 2 1.228 -1.493 -2.682 9 HA CYS 2 HA CYS 2 3.914 -1.644 -1.826 10 HB2 CYS 2 2HB CYS 2 3.693 -4.077 -2.328 11 HB3 CYS 2 3HB CYS 2 2.384 -3.446 -1.334 12 H HIS 3 H HIS 3 5.737 -2.537 -2.952 13 HA HIS 3 HA HIS 3 5.643 -2.578 -5.856 14 HB2 HIS 3 2HB HIS 3 6.122 -0.186 -5.029 15 HB3 HIS 3 3HB HIS 3 7.689 -0.814 -4.526 16 HD1 HIS 3 HD1 HIS 3 8.905 -2.206 -6.677 17 HD2 HIS 3 HD2 HIS 3 6.242 0.875 -7.500 18 HE1 HIS 3 HE1 HIS 3 9.419 -1.483 -9.031 19 H ILE 4 H ILE 4 6.421 -4.579 -6.136 20 HA ILE 4 HA ILE 4 9.143 -5.151 -5.755 21 HB ILE 4 HB ILE 4 8.575 -5.353 -3.394 22 HG12 ILE 4 2HG1 ILE 4 9.022 -8.062 -4.668 23 HG13 ILE 4 3HG1 ILE 4 10.275 -6.862 -4.370 24 HG21 ILE 4 1HG2 ILE 4 6.155 -6.284 -4.261 25 HG22 ILE 4 2HG2 ILE 4 6.926 -7.750 -3.658 26 HG23 ILE 4 3HG2 ILE 4 6.738 -6.353 -2.598 27 HD11 ILE 4 3HD1 ILE 4 9.278 -7.090 -1.897 28 HD12 ILE 4 1HD1 ILE 4 8.932 -8.706 -2.511 29 HD13 ILE 4 2HD1 ILE 4 10.587 -8.096 -2.517 30 H ARG 5 H ARG 5 9.684 -6.647 -7.209 31 HA ARG 5 HA ARG 5 7.709 -7.907 -8.809 32 HB2 ARG 5 2HB ARG 5 9.632 -9.030 -9.898 33 HB3 ARG 5 3HB ARG 5 9.842 -7.289 -9.767 34 HG2 ARG 5 2HG ARG 5 11.258 -7.656 -7.769 35 HG3 ARG 5 3HG ARG 5 11.120 -9.395 -8.038 36 HD2 ARG 5 2HD ARG 5 12.302 -9.280 -10.070 37 HD3 ARG 5 3HD ARG 5 12.124 -7.528 -10.165 38 HE ARG 5 HE ARG 5 13.554 -8.054 -7.855 39 HH11 ARG 5 1HH1 ARG 5 13.936 -8.541 -11.281 40 HH12 ARG 5 2HH1 ARG 5 15.665 -8.445 -11.234 41 HH21 ARG 5 1HH2 ARG 5 15.830 -7.926 -7.780 42 HH22 ARG 5 2HH2 ARG 5 16.742 -8.096 -9.242 43 H ARG 6 H ARG 6 9.878 -9.065 -6.265 44 HA ARG 6 HA ARG 6 9.380 -11.793 -6.460 45 HB2 ARG 6 2HB ARG 6 11.135 -10.857 -5.036 46 HB3 ARG 6 3HB ARG 6 9.919 -10.154 -3.978 47 HG2 ARG 6 2HG ARG 6 10.605 -12.068 -2.855 48 HG3 ARG 6 3HG ARG 6 9.100 -12.555 -3.637 49 HD2 ARG 6 2HD ARG 6 10.574 -14.325 -4.050 50 HD3 ARG 6 3HD ARG 6 10.571 -13.395 -5.548 51 HE ARG 6 HE ARG 6 12.662 -12.648 -3.721 52 HH11 ARG 6 1HH1 ARG 6 11.732 -14.811 -6.286 53 HH12 ARG 6 2HH1 ARG 6 13.361 -15.134 -6.780 54 HH21 ARG 6 1HH2 ARG 6 14.811 -13.066 -4.363 55 HH22 ARG 6 2HH2 ARG 6 15.111 -14.142 -5.685 56 H LYS 7 H LYS 7 7.353 -12.545 -6.683 57 HA LYS 7 HA LYS 7 5.295 -11.623 -4.800 58 HB2 LYS 7 2HB LYS 7 3.674 -12.600 -6.362 59 HB3 LYS 7 3HB LYS 7 4.707 -11.424 -7.163 60 HG2 LYS 7 2HG LYS 7 4.708 -13.095 -8.712 61 HG3 LYS 7 3HG LYS 7 6.123 -13.552 -7.761 62 HD2 LYS 7 2HD LYS 7 5.117 -15.392 -6.903 63 HD3 LYS 7 3HD LYS 7 3.528 -14.626 -6.844 64 HE2 LYS 7 2HE LYS 7 3.813 -14.776 -9.490 65 HE3 LYS 7 3HE LYS 7 4.840 -16.134 -9.034 66 HZ1 LYS 7 3HZ LYS 7 2.384 -16.165 -7.599 67 HZ2 LYS 7 1HZ LYS 7 3.066 -17.362 -8.581 68 HZ3 LYS 7 2HZ LYS 7 2.105 -16.151 -9.267 69 HA PRO 8 HA PRO 8 5.244 -15.428 -2.610 70 HB2 PRO 8 2HB PRO 8 2.613 -15.628 -1.969 71 HB3 PRO 8 3HB PRO 8 3.701 -14.461 -1.208 72 HG2 PRO 8 2HG PRO 8 1.741 -14.051 -3.433 73 HG3 PRO 8 3HG PRO 8 2.072 -13.020 -2.029 74 HD2 PRO 8 2HD PRO 8 3.078 -12.498 -4.488 75 HD3 PRO 8 3HD PRO 8 3.947 -12.090 -2.994 76 H LYS 9 H LYS 9 5.276 -17.497 -3.221 77 HA LYS 9 HA LYS 9 3.137 -18.738 -4.647 78 HB2 LYS 9 2HB LYS 9 4.471 -19.365 -6.650 79 HB3 LYS 9 3HB LYS 9 4.119 -17.645 -6.558 80 HG2 LYS 9 2HG LYS 9 6.298 -17.431 -7.035 81 HG3 LYS 9 3HG LYS 9 6.510 -17.722 -5.307 82 HD2 LYS 9 2HD LYS 9 7.990 -19.233 -6.255 83 HD3 LYS 9 3HD LYS 9 6.553 -20.225 -5.989 84 HE2 LYS 9 2HE LYS 9 6.075 -20.370 -8.220 85 HE3 LYS 9 3HE LYS 9 6.812 -18.812 -8.591 86 HZ1 LYS 9 3HZ LYS 9 8.692 -20.774 -7.654 87 HZ2 LYS 9 1HZ LYS 9 8.767 -19.765 -9.010 88 HZ3 LYS 9 2HZ LYS 9 7.921 -21.227 -9.091 89 H PHE 10 H PHE 10 3.121 -20.877 -4.250 90 HA PHE 10 HA PHE 10 3.683 -22.847 -3.253 91 HB2 PHE 10 2HB PHE 10 6.132 -22.102 -4.813 92 HB3 PHE 10 3HB PHE 10 6.153 -23.539 -3.796 93 HD1 PHE 10 HD1 PHE 10 3.666 -22.005 -6.122 94 HD2 PHE 10 HD2 PHE 10 5.895 -25.458 -5.014 95 HE1 PHE 10 HE1 PHE 10 2.572 -23.283 -7.917 96 HE2 PHE 10 HE2 PHE 10 4.805 -26.741 -6.808 97 HZ PHE 10 HZ PHE 10 3.141 -25.654 -8.263 98 H ARG 11 H ARG 11 3.593 -20.982 -1.376 99 HA ARG 11 HA ARG 11 6.050 -21.313 0.214 100 HB2 ARG 11 2HB ARG 11 5.351 -19.323 1.462 101 HB3 ARG 11 3HB ARG 11 5.501 -18.978 -0.256 102 HG2 ARG 11 2HG ARG 11 2.820 -19.780 0.658 103 HG3 ARG 11 3HG ARG 11 3.409 -18.225 1.248 104 HD2 ARG 11 2HD ARG 11 3.843 -17.510 -1.042 105 HD3 ARG 11 3HD ARG 11 3.295 -19.075 -1.643 106 HE ARG 11 HE ARG 11 1.653 -16.882 -0.749 107 HH11 ARG 11 1HH1 ARG 11 1.818 -20.309 -1.341 108 HH12 ARG 11 2HH1 ARG 11 0.105 -20.491 -1.531 109 HH21 ARG 11 1HH2 ARG 11 -0.604 -17.109 -0.996 110 HH22 ARG 11 2HH2 ARG 11 -1.271 -18.670 -1.335 111 H LYS 12 H LYS 12 5.916 -22.002 2.341 112 HA LYS 12 HA LYS 12 3.667 -23.681 2.951 113 HB2 LYS 12 2HB LYS 12 5.814 -24.516 3.557 114 HB3 LYS 12 3HB LYS 12 6.223 -23.037 4.416 115 HG2 LYS 12 2HG LYS 12 5.120 -23.652 6.283 116 HG3 LYS 12 3HG LYS 12 3.844 -24.481 5.388 117 HD2 LYS 12 2HD LYS 12 6.596 -25.635 5.399 118 HD3 LYS 12 3HD LYS 12 5.577 -25.834 6.826 119 HE2 LYS 12 2HE LYS 12 4.916 -27.688 5.702 120 HE3 LYS 12 3HE LYS 12 3.812 -26.538 4.949 121 HZ1 LYS 12 3HZ LYS 12 5.009 -26.514 3.014 122 HZ2 LYS 12 1HZ LYS 12 5.251 -28.118 3.495 123 HZ3 LYS 12 2HZ LYS 12 6.461 -26.965 3.755 124 H PHE 13 H PHE 13 5.272 -21.354 5.108 125 HA PHE 13 HA PHE 13 2.755 -20.821 6.430 126 HB2 PHE 13 2HB PHE 13 5.237 -20.981 7.405 127 HB3 PHE 13 3HB PHE 13 5.198 -19.251 7.081 128 HD1 PHE 13 HD1 PHE 13 3.558 -17.814 8.225 129 HD2 PHE 13 HD2 PHE 13 3.995 -21.936 9.190 130 HE1 PHE 13 HE1 PHE 13 2.353 -17.443 10.338 131 HE2 PHE 13 HE2 PHE 13 2.790 -21.573 11.304 132 HZ PHE 13 HZ PHE 13 1.967 -19.324 11.880 133 H LYS 14 H LYS 14 1.695 -18.849 6.529 134 HA LYS 14 HA LYS 14 2.343 -17.002 4.338 135 HB2 LYS 14 2HB LYS 14 -0.217 -17.643 5.786 136 HB3 LYS 14 3HB LYS 14 -0.054 -16.187 4.813 137 HG2 LYS 14 2HG LYS 14 0.523 -18.914 3.703 138 HG3 LYS 14 3HG LYS 14 -1.100 -18.221 3.708 139 HD2 LYS 14 2HD LYS 14 1.221 -16.698 2.577 140 HD3 LYS 14 3HD LYS 14 0.379 -17.913 1.612 141 HE2 LYS 14 2HE LYS 14 -1.711 -16.732 1.880 142 HE3 LYS 14 3HE LYS 14 -0.952 -15.570 2.968 143 HZ1 LYS 14 3HZ LYS 14 -0.246 -14.379 1.253 144 HZ2 LYS 14 1HZ LYS 14 -1.198 -15.348 0.244 145 HZ3 LYS 14 2HZ LYS 14 0.432 -15.726 0.488 146 H LEU 15 H LEU 15 2.740 -14.876 4.695 147 HA LEU 15 HA LEU 15 3.455 -13.037 5.834 148 HB2 LEU 15 2HB LEU 15 0.948 -13.848 7.237 149 HB3 LEU 15 3HB LEU 15 1.903 -12.510 7.872 150 HG LEU 15 HG LEU 15 0.039 -11.751 6.467 151 HD11 LEU 15 1HD1 LEU 15 1.788 -10.677 4.667 152 HD12 LEU 15 2HD1 LEU 15 2.856 -11.139 5.991 153 HD13 LEU 15 3HD1 LEU 15 1.492 -10.062 6.293 154 HD21 LEU 15 3HD2 LEU 15 -0.089 -12.218 4.146 155 HD22 LEU 15 1HD2 LEU 15 0.101 -13.770 4.962 156 HD23 LEU 15 2HD2 LEU 15 1.480 -13.026 4.151 157 H TYR 16 H TYR 16 4.731 -15.508 6.532 158 HA TYR 16 HA TYR 16 5.026 -15.956 9.259 159 HB2 TYR 16 2HB TYR 16 7.387 -16.742 8.564 160 HB3 TYR 16 3HB TYR 16 5.997 -17.567 7.866 161 HD1 TYR 16 HD1 TYR 16 7.971 -14.487 7.063 162 HD2 TYR 16 HD2 TYR 16 6.275 -18.126 5.654 163 HE1 TYR 16 HE1 TYR 16 8.827 -14.006 4.808 164 HE2 TYR 16 HE2 TYR 16 7.127 -17.656 3.395 165 HH TYR 16 HH TYR 16 7.797 -15.641 2.064 166 H HIS 17 H HIS 17 7.397 -15.616 10.251 167 HA HIS 17 HA HIS 17 7.640 -12.737 10.545 168 HB2 HIS 17 2HB HIS 17 8.506 -15.122 12.091 169 HB3 HIS 17 3HB HIS 17 9.497 -13.674 12.239 170 HD1 HIS 17 HD1 HIS 17 8.846 -12.377 14.226 171 HD2 HIS 17 HD2 HIS 17 5.567 -14.217 12.458 172 HE1 HIS 17 HE1 HIS 17 6.865 -11.707 15.623 173 H GLU 18 H GLU 18 8.449 -12.681 8.233 174 HA GLU 18 HA GLU 18 11.344 -12.520 8.308 175 HB2 GLU 18 2HB GLU 18 10.163 -14.794 7.219 176 HB3 GLU 18 3HB GLU 18 10.529 -13.791 5.822 177 HG2 GLU 18 2HG GLU 18 12.389 -15.205 6.175 178 HG3 GLU 18 3HG GLU 18 12.865 -13.586 6.686 179 H GLY 19 H GLY 19 11.165 -10.313 8.046 180 HA2 GLY 19 2HA GLY 19 11.090 -8.361 6.837 181 HA3 GLY 19 3HA GLY 19 10.950 -9.351 5.391 182 H LYS 20 H LYS 20 9.444 -7.042 7.187 183 HA LYS 20 HA LYS 20 6.721 -7.903 6.902 184 HB2 LYS 20 2HB LYS 20 8.118 -5.478 7.895 185 HB3 LYS 20 3HB LYS 20 6.465 -5.266 7.334 186 HG2 LYS 20 2HG LYS 20 6.084 -5.710 9.532 187 HG3 LYS 20 3HG LYS 20 6.028 -7.351 8.882 188 HD2 LYS 20 2HD LYS 20 8.127 -7.888 9.718 189 HD3 LYS 20 3HD LYS 20 8.614 -6.196 9.855 190 HE2 LYS 20 2HE LYS 20 6.803 -5.985 11.629 191 HE3 LYS 20 3HE LYS 20 6.730 -7.746 11.613 192 HZ1 LYS 20 3HZ LYS 20 8.244 -6.620 13.311 193 HZ2 LYS 20 1HZ LYS 20 9.291 -6.334 12.013 194 HZ3 LYS 20 2HZ LYS 20 8.879 -7.920 12.434 195 H PHE 21 H PHE 21 6.392 -8.343 4.725 196 HA PHE 21 HA PHE 21 5.479 -6.237 3.125 197 HB2 PHE 21 2HB PHE 21 8.178 -6.212 3.048 198 HB3 PHE 21 3HB PHE 21 7.851 -7.344 1.740 199 HD1 PHE 21 HD1 PHE 21 5.886 -6.511 0.117 200 HD2 PHE 21 HD2 PHE 21 8.382 -4.005 2.485 201 HE1 PHE 21 HE1 PHE 21 5.428 -4.628 -1.399 202 HE2 PHE 21 HE2 PHE 21 7.928 -2.118 0.973 203 HZ PHE 21 HZ PHE 21 6.449 -2.428 -0.972 204 H TRP 22 H TRP 22 3.783 -7.341 2.387 205 HA TRP 22 HA TRP 22 4.296 -9.782 0.843 206 HB2 TRP 22 2HB TRP 22 2.454 -9.468 3.176 207 HB3 TRP 22 3HB TRP 22 1.966 -10.522 1.852 208 HD1 TRP 22 HD1 TRP 22 4.870 -10.135 4.380 209 HE1 TRP 22 HE1 TRP 22 5.868 -12.469 4.808 210 HE3 TRP 22 HE3 TRP 22 2.120 -12.825 1.012 211 HZ2 TRP 22 HZ2 TRP 22 5.534 -15.101 3.846 212 HZ3 TRP 22 HZ3 TRP 22 2.521 -15.246 0.828 213 HH2 TRP 22 HH2 TRP 22 4.194 -16.358 2.216 214 H CYS 23 H CYS 23 4.089 -8.267 -0.937 215 HA CYS 23 HA CYS 23 1.556 -8.323 -2.132 216 HB2 CYS 23 2HB CYS 23 0.973 -6.594 -0.503 217 HB3 CYS 23 3HB CYS 23 2.347 -5.622 -1.020 218 HA PRO 24 HA PRO 24 4.913 -7.801 -5.131 219 HB2 PRO 24 2HB PRO 24 3.629 -9.143 -7.111 220 HB3 PRO 24 3HB PRO 24 4.518 -9.957 -5.819 221 HG2 PRO 24 2HG PRO 24 1.575 -9.474 -6.081 222 HG3 PRO 24 3HG PRO 24 2.426 -10.937 -5.552 223 HD2 PRO 24 2HD PRO 24 1.294 -9.200 -3.811 224 HD3 PRO 24 3HD PRO 24 2.758 -10.125 -3.421 Start of MODEL 6 1 H1 THR 1 H THR 1 1.786 2.016 -3.098 2 HA THR 1 HA THR 1 4.239 1.072 -2.544 3 HB THR 1 HB THR 1 2.913 2.358 -0.925 4 HG1 THR 1 HG1 THR 1 4.687 1.359 -0.036 5 HG21 THR 1 3HG2 THR 1 0.917 1.679 -0.208 6 HG22 THR 1 1HG2 THR 1 1.614 0.191 0.433 7 HG23 THR 1 2HG2 THR 1 1.062 0.257 -1.241 8 H CYS 2 H CYS 2 3.106 -0.898 -4.215 9 HA CYS 2 HA CYS 2 3.257 -3.273 -2.476 10 HB2 CYS 2 2HB CYS 2 1.560 -2.707 -4.885 11 HB3 CYS 2 3HB CYS 2 1.992 -4.366 -4.481 12 H HIS 3 H HIS 3 5.613 -2.285 -3.228 13 HA HIS 3 HA HIS 3 6.444 -3.686 -5.662 14 HB2 HIS 3 2HB HIS 3 7.456 -1.374 -4.128 15 HB3 HIS 3 3HB HIS 3 8.694 -2.435 -4.795 16 HD1 HIS 3 HD1 HIS 3 9.473 -0.741 -6.545 17 HD2 HIS 3 HD2 HIS 3 5.440 -1.695 -6.835 18 HE1 HIS 3 HE1 HIS 3 8.714 0.212 -8.745 19 H ILE 4 H ILE 4 7.582 -5.519 -5.612 20 HA ILE 4 HA ILE 4 9.115 -6.238 -3.244 21 HB ILE 4 HB ILE 4 6.816 -7.158 -2.893 22 HG12 ILE 4 2HG1 ILE 4 8.890 -9.316 -3.308 23 HG13 ILE 4 3HG1 ILE 4 8.931 -8.178 -1.965 24 HG21 ILE 4 1HG2 ILE 4 7.414 -9.130 -5.064 25 HG22 ILE 4 2HG2 ILE 4 5.879 -8.774 -4.275 26 HG23 ILE 4 3HG2 ILE 4 6.571 -7.623 -5.417 27 HD11 ILE 4 3HD1 ILE 4 6.826 -9.016 -1.145 28 HD12 ILE 4 1HD1 ILE 4 6.678 -10.088 -2.537 29 HD13 ILE 4 2HD1 ILE 4 7.962 -10.348 -1.356 30 H ARG 5 H ARG 5 10.659 -7.895 -3.610 31 HA ARG 5 HA ARG 5 11.981 -7.823 -6.028 32 HB2 ARG 5 2HB ARG 5 13.119 -9.930 -5.249 33 HB3 ARG 5 3HB ARG 5 13.138 -8.602 -4.096 34 HG2 ARG 5 2HG ARG 5 11.170 -9.664 -2.973 35 HG3 ARG 5 3HG ARG 5 11.402 -11.055 -4.034 36 HD2 ARG 5 2HD ARG 5 13.709 -11.277 -3.170 37 HD3 ARG 5 3HD ARG 5 13.390 -9.949 -2.054 38 HE ARG 5 HE ARG 5 11.458 -12.009 -1.770 39 HH11 ARG 5 1HH1 ARG 5 14.749 -11.177 -0.999 40 HH12 ARG 5 2HH1 ARG 5 14.811 -12.183 0.410 41 HH21 ARG 5 1HH2 ARG 5 11.527 -13.338 0.082 42 HH22 ARG 5 2HH2 ARG 5 12.977 -13.413 1.024 43 H ARG 6 H ARG 6 9.714 -10.301 -4.862 44 HA ARG 6 HA ARG 6 8.900 -10.881 -7.567 45 HB2 ARG 6 2HB ARG 6 10.789 -12.326 -7.549 46 HB3 ARG 6 3HB ARG 6 10.429 -12.893 -5.924 47 HG2 ARG 6 2HG ARG 6 8.601 -14.179 -6.667 48 HG3 ARG 6 3HG ARG 6 8.592 -13.390 -8.246 49 HD2 ARG 6 2HD ARG 6 10.879 -15.063 -7.223 50 HD3 ARG 6 3HD ARG 6 9.566 -15.703 -8.211 51 HE ARG 6 HE ARG 6 11.763 -14.059 -9.089 52 HH11 ARG 6 1HH1 ARG 6 8.536 -15.169 -9.777 53 HH12 ARG 6 2HH1 ARG 6 8.659 -14.878 -11.481 54 HH21 ARG 6 1HH2 ARG 6 11.937 -13.671 -11.330 55 HH22 ARG 6 2HH2 ARG 6 10.594 -14.026 -12.363 56 H LYS 7 H LYS 7 6.834 -11.572 -7.638 57 HA LYS 7 HA LYS 7 5.202 -11.428 -5.372 58 HB2 LYS 7 2HB LYS 7 3.455 -12.464 -6.836 59 HB3 LYS 7 3HB LYS 7 4.252 -11.064 -7.542 60 HG2 LYS 7 2HG LYS 7 4.173 -12.542 -9.309 61 HG3 LYS 7 3HG LYS 7 5.796 -12.807 -8.667 62 HD2 LYS 7 2HD LYS 7 5.305 -14.894 -7.925 63 HD3 LYS 7 3HD LYS 7 3.638 -14.474 -7.522 64 HE2 LYS 7 2HE LYS 7 3.437 -15.953 -9.319 65 HE3 LYS 7 3HE LYS 7 3.256 -14.360 -10.051 66 HZ1 LYS 7 3HZ LYS 7 5.940 -14.851 -10.146 67 HZ2 LYS 7 1HZ LYS 7 4.856 -14.986 -11.437 68 HZ3 LYS 7 2HZ LYS 7 5.250 -16.349 -10.517 69 HA PRO 8 HA PRO 8 5.440 -15.369 -3.454 70 HB2 PRO 8 2HB PRO 8 2.891 -15.690 -2.577 71 HB3 PRO 8 3HB PRO 8 4.020 -14.544 -1.847 72 HG2 PRO 8 2HG PRO 8 1.842 -14.049 -3.839 73 HG3 PRO 8 3HG PRO 8 2.284 -13.102 -2.407 74 HD2 PRO 8 2HD PRO 8 3.031 -12.391 -4.911 75 HD3 PRO 8 3HD PRO 8 4.032 -12.054 -3.484 76 H LYS 9 H LYS 9 5.465 -17.390 -4.209 77 HA LYS 9 HA LYS 9 3.420 -18.171 -6.184 78 HB2 LYS 9 2HB LYS 9 5.555 -18.015 -7.275 79 HB3 LYS 9 3HB LYS 9 6.334 -18.945 -6.001 80 HG2 LYS 9 2HG LYS 9 5.069 -20.921 -6.653 81 HG3 LYS 9 3HG LYS 9 4.259 -19.992 -7.917 82 HD2 LYS 9 2HD LYS 9 6.352 -19.640 -9.062 83 HD3 LYS 9 3HD LYS 9 7.242 -20.414 -7.749 84 HE2 LYS 9 2HE LYS 9 7.101 -22.205 -9.129 85 HE3 LYS 9 3HE LYS 9 5.539 -22.390 -8.333 86 HZ1 LYS 9 3HZ LYS 9 4.720 -20.887 -10.249 87 HZ2 LYS 9 1HZ LYS 9 4.987 -22.531 -10.546 88 HZ3 LYS 9 2HZ LYS 9 6.133 -21.386 -11.033 89 H PHE 10 H PHE 10 5.865 -19.985 -4.346 90 HA PHE 10 HA PHE 10 3.689 -21.549 -3.131 91 HB2 PHE 10 2HB PHE 10 5.985 -22.479 -4.759 92 HB3 PHE 10 3HB PHE 10 5.615 -23.427 -3.322 93 HD1 PHE 10 HD2 PHE 10 2.839 -23.615 -3.098 94 HD2 PHE 10 HD1 PHE 10 5.154 -23.424 -6.665 95 HE1 PHE 10 HE2 PHE 10 1.043 -24.768 -4.321 96 HE2 PHE 10 HE1 PHE 10 3.361 -24.576 -7.894 97 HZ PHE 10 HZ PHE 10 1.302 -25.251 -6.722 98 H ARG 11 H ARG 11 3.873 -20.502 -1.162 99 HA ARG 11 HA ARG 11 6.425 -20.900 0.259 100 HB2 ARG 11 2HB ARG 11 5.822 -18.961 1.649 101 HB3 ARG 11 3HB ARG 11 5.942 -18.533 -0.052 102 HG2 ARG 11 2HG ARG 11 3.262 -19.289 0.932 103 HG3 ARG 11 3HG ARG 11 3.925 -17.759 1.513 104 HD2 ARG 11 2HD ARG 11 4.296 -17.043 -0.794 105 HD3 ARG 11 3HD ARG 11 3.652 -18.576 -1.378 106 HE ARG 11 HE ARG 11 2.153 -16.321 -0.395 107 HH11 ARG 11 1HH1 ARG 11 2.137 -19.748 -1.011 108 HH12 ARG 11 2HH1 ARG 11 0.411 -19.852 -1.120 109 HH21 ARG 11 1HH2 ARG 11 -0.121 -16.446 -0.536 110 HH22 ARG 11 2HH2 ARG 11 -0.872 -17.974 -0.850 111 H LYS 12 H LYS 12 6.383 -21.731 2.328 112 HA LYS 12 HA LYS 12 4.254 -23.482 2.961 113 HB2 LYS 12 2HB LYS 12 6.787 -22.641 4.293 114 HB3 LYS 12 3HB LYS 12 5.576 -23.469 5.263 115 HG2 LYS 12 2HG LYS 12 6.938 -25.188 4.527 116 HG3 LYS 12 3HG LYS 12 5.589 -25.232 3.389 117 HD2 LYS 12 2HD LYS 12 6.848 -24.316 1.667 118 HD3 LYS 12 3HD LYS 12 8.035 -23.619 2.772 119 HE2 LYS 12 2HE LYS 12 8.864 -25.854 3.297 120 HE3 LYS 12 3HE LYS 12 7.663 -26.562 2.218 121 HZ1 LYS 12 3HZ LYS 12 10.184 -25.856 1.521 122 HZ2 LYS 12 1HZ LYS 12 9.271 -24.548 0.954 123 HZ3 LYS 12 2HZ LYS 12 8.908 -26.119 0.442 124 H PHE 13 H PHE 13 5.509 -20.887 5.054 125 HA PHE 13 HA PHE 13 2.914 -20.633 6.313 126 HB2 PHE 13 2HB PHE 13 5.645 -19.520 6.837 127 HB3 PHE 13 3HB PHE 13 4.242 -18.758 7.578 128 HD1 PHE 13 HD1 PHE 13 2.568 -20.528 8.694 129 HD2 PHE 13 HD2 PHE 13 6.738 -21.108 8.066 130 HE1 PHE 13 HE1 PHE 13 2.600 -22.211 10.488 131 HE2 PHE 13 HE2 PHE 13 6.777 -22.793 9.859 132 HZ PHE 13 HZ PHE 13 4.706 -23.347 11.072 133 H LYS 14 H LYS 14 2.421 -18.152 6.885 134 HA LYS 14 HA LYS 14 2.589 -16.572 4.415 135 HB2 LYS 14 2HB LYS 14 0.107 -17.323 5.940 136 HB3 LYS 14 3HB LYS 14 0.161 -15.875 4.943 137 HG2 LYS 14 2HG LYS 14 0.860 -18.585 3.860 138 HG3 LYS 14 3HG LYS 14 -0.796 -17.976 3.891 139 HD2 LYS 14 2HD LYS 14 1.467 -16.434 2.646 140 HD3 LYS 14 3HD LYS 14 0.520 -17.618 1.743 141 HE2 LYS 14 2HE LYS 14 -0.573 -15.186 3.156 142 HE3 LYS 14 3HE LYS 14 -0.322 -15.340 1.418 143 HZ1 LYS 14 3HZ LYS 14 -1.830 -17.491 1.942 144 HZ2 LYS 14 1HZ LYS 14 -2.448 -16.000 1.433 145 HZ3 LYS 14 2HZ LYS 14 -2.441 -16.396 3.078 146 H LEU 15 H LEU 15 2.900 -14.425 4.707 147 HA LEU 15 HA LEU 15 3.539 -12.520 5.779 148 HB2 LEU 15 2HB LEU 15 1.102 -13.412 7.255 149 HB3 LEU 15 3HB LEU 15 2.001 -12.010 7.831 150 HG LEU 15 HG LEU 15 0.072 -11.392 6.440 151 HD11 LEU 15 1HD1 LEU 15 1.718 -10.265 4.586 152 HD12 LEU 15 2HD1 LEU 15 2.847 -10.651 5.884 153 HD13 LEU 15 3HD1 LEU 15 1.442 -9.637 6.210 154 HD21 LEU 15 3HD2 LEU 15 -0.252 -12.084 4.282 155 HD22 LEU 15 1HD2 LEU 15 0.488 -13.530 4.967 156 HD23 LEU 15 2HD2 LEU 15 1.460 -12.412 4.011 157 H TYR 16 H TYR 16 4.989 -14.859 6.502 158 HA TYR 16 HA TYR 16 5.346 -15.246 9.233 159 HB2 TYR 16 2HB TYR 16 7.746 -15.882 8.512 160 HB3 TYR 16 3HB TYR 16 6.404 -16.813 7.856 161 HD1 TYR 16 HD1 TYR 16 8.143 -13.621 6.956 162 HD2 TYR 16 HD2 TYR 16 6.686 -17.400 5.652 163 HE1 TYR 16 HE1 TYR 16 8.925 -13.129 4.677 164 HE2 TYR 16 HE2 TYR 16 7.465 -16.919 3.369 165 HH TYR 16 HH TYR 16 9.508 -15.178 2.450 166 H HIS 17 H HIS 17 7.744 -14.740 10.142 167 HA HIS 17 HA HIS 17 7.785 -11.846 10.407 168 HB2 HIS 17 2HB HIS 17 7.881 -13.249 12.428 169 HB3 HIS 17 3HB HIS 17 9.385 -13.966 11.858 170 HD1 HIS 17 HD1 HIS 17 8.129 -10.428 12.533 171 HD2 HIS 17 HD2 HIS 17 11.520 -12.784 12.998 172 HE1 HIS 17 HE1 HIS 17 9.814 -8.962 13.689 173 H GLU 18 H GLU 18 8.536 -11.768 8.076 174 HA GLU 18 HA GLU 18 11.414 -11.409 8.081 175 HB2 GLU 18 2HB GLU 18 10.366 -13.773 7.048 176 HB3 GLU 18 3HB GLU 18 10.636 -12.768 5.632 177 HG2 GLU 18 2HG GLU 18 12.623 -13.936 5.868 178 HG3 GLU 18 3HG GLU 18 12.973 -12.368 6.594 179 H GLY 19 H GLY 19 11.045 -9.219 7.811 180 HA2 GLY 19 2HA GLY 19 10.810 -7.294 6.578 181 HA3 GLY 19 3HA GLY 19 10.726 -8.309 5.146 182 H LYS 20 H LYS 20 9.088 -6.059 6.853 183 HA LYS 20 HA LYS 20 6.427 -7.138 6.654 184 HB2 LYS 20 2HB LYS 20 7.656 -4.598 7.577 185 HB3 LYS 20 3HB LYS 20 5.987 -4.514 7.028 186 HG2 LYS 20 2HG LYS 20 5.479 -6.390 8.621 187 HG3 LYS 20 3HG LYS 20 7.106 -6.176 9.269 188 HD2 LYS 20 2HD LYS 20 6.585 -3.857 9.831 189 HD3 LYS 20 3HD LYS 20 4.964 -4.051 9.158 190 HE2 LYS 20 2HE LYS 20 6.041 -5.723 11.420 191 HE3 LYS 20 3HE LYS 20 5.126 -4.236 11.661 192 HZ1 LYS 20 3HZ LYS 20 4.215 -6.840 10.682 193 HZ2 LYS 20 1HZ LYS 20 3.451 -5.456 10.081 194 HZ3 LYS 20 2HZ LYS 20 3.459 -5.762 11.744 195 H PHE 21 H PHE 21 6.100 -7.651 4.494 196 HA PHE 21 HA PHE 21 5.017 -5.655 2.860 197 HB2 PHE 21 2HB PHE 21 7.707 -5.440 2.742 198 HB3 PHE 21 3HB PHE 21 7.442 -6.619 1.462 199 HD1 PHE 21 HD1 PHE 21 5.505 -5.986 -0.216 200 HD2 PHE 21 HD2 PHE 21 7.640 -3.211 2.204 201 HE1 PHE 21 HE1 PHE 21 4.894 -4.172 -1.762 202 HE2 PHE 21 HE2 PHE 21 7.032 -1.393 0.663 203 HZ PHE 21 HZ PHE 21 5.656 -1.872 -1.323 204 H TRP 22 H TRP 22 3.396 -6.894 2.171 205 HA TRP 22 HA TRP 22 4.063 -9.329 0.677 206 HB2 TRP 22 2HB TRP 22 2.234 -9.091 3.028 207 HB3 TRP 22 3HB TRP 22 1.804 -10.208 1.735 208 HD1 TRP 22 HD1 TRP 22 4.739 -9.549 4.176 209 HE1 TRP 22 HE1 TRP 22 5.893 -11.799 4.656 210 HE3 TRP 22 HE3 TRP 22 2.066 -12.526 0.994 211 HZ2 TRP 22 HZ2 TRP 22 5.697 -14.481 3.798 212 HZ3 TRP 22 HZ3 TRP 22 2.612 -14.923 0.883 213 HH2 TRP 22 HH2 TRP 22 4.391 -15.878 2.256 214 H CYS 23 H CYS 23 3.727 -7.870 -1.132 215 HA CYS 23 HA CYS 23 1.199 -8.143 -2.301 216 HB2 CYS 23 2HB CYS 23 0.465 -6.450 -0.714 217 HB3 CYS 23 3HB CYS 23 1.775 -5.382 -1.206 218 HA PRO 24 HA PRO 24 4.480 -7.395 -5.337 219 HB2 PRO 24 2HB PRO 24 3.295 -8.865 -7.287 220 HB3 PRO 24 3HB PRO 24 4.256 -9.586 -5.990 221 HG2 PRO 24 2HG PRO 24 1.282 -9.346 -6.235 222 HG3 PRO 24 3HG PRO 24 2.252 -10.728 -5.692 223 HD2 PRO 24 2HD PRO 24 0.996 -9.062 -3.966 224 HD3 PRO 24 3HD PRO 24 2.533 -9.860 -3.575 Start of MODEL 7 1 H1 THR 1 H THR 1 1.100 0.490 -4.859 2 HA THR 1 HA THR 1 1.173 1.740 -2.201 3 HB THR 1 HB THR 1 -0.141 -0.436 -1.601 4 HG1 THR 1 HG1 THR 1 0.270 -1.246 -3.842 5 HG21 THR 1 3HG2 THR 1 -0.963 2.126 -2.706 6 HG22 THR 1 1HG2 THR 1 -1.607 1.234 -1.329 7 HG23 THR 1 2HG2 THR 1 -2.170 0.865 -2.959 8 H CYS 2 H CYS 2 2.541 -0.791 -4.138 9 HA CYS 2 HA CYS 2 4.415 -1.400 -1.982 10 HB2 CYS 2 2HB CYS 2 4.195 -3.868 -2.555 11 HB3 CYS 2 3HB CYS 2 2.862 -3.161 -1.648 12 H HIS 3 H HIS 3 6.293 -2.675 -2.777 13 HA HIS 3 HA HIS 3 6.750 -2.565 -5.650 14 HB2 HIS 3 2HB HIS 3 8.992 -1.422 -5.214 15 HB3 HIS 3 3HB HIS 3 7.556 -0.408 -5.117 16 HD1 HIS 3 HD1 HIS 3 6.822 0.371 -2.726 17 HD2 HIS 3 HD2 HIS 3 10.436 -1.673 -2.863 18 HE1 HIS 3 HE1 HIS 3 7.925 0.806 -0.508 19 H ILE 4 H ILE 4 7.171 -4.676 -5.929 20 HA ILE 4 HA ILE 4 9.641 -5.762 -5.130 21 HB ILE 4 HB ILE 4 8.464 -5.925 -2.939 22 HG12 ILE 4 2HG1 ILE 4 9.025 -8.317 -2.557 23 HG13 ILE 4 3HG1 ILE 4 9.163 -8.537 -4.298 24 HG21 ILE 4 1HG2 ILE 4 6.270 -6.581 -4.349 25 HG22 ILE 4 2HG2 ILE 4 6.820 -8.186 -3.873 26 HG23 ILE 4 3HG2 ILE 4 6.484 -6.969 -2.642 27 HD11 ILE 4 3HD1 ILE 4 11.131 -7.373 -4.424 28 HD12 ILE 4 1HD1 ILE 4 10.800 -6.440 -2.965 29 HD13 ILE 4 2HD1 ILE 4 11.279 -8.133 -2.839 30 H ARG 5 H ARG 5 10.122 -7.653 -6.220 31 HA ARG 5 HA ARG 5 8.237 -8.369 -8.319 32 HB2 ARG 5 2HB ARG 5 10.131 -9.608 -9.291 33 HB3 ARG 5 3HB ARG 5 10.540 -7.928 -8.969 34 HG2 ARG 5 2HG ARG 5 11.667 -8.635 -6.890 35 HG3 ARG 5 3HG ARG 5 11.321 -10.315 -7.309 36 HD2 ARG 5 2HD ARG 5 13.554 -9.859 -7.995 37 HD3 ARG 5 3HD ARG 5 12.563 -9.940 -9.452 38 HE ARG 5 HE ARG 5 12.619 -7.285 -8.757 39 HH11 ARG 5 1HH1 ARG 5 14.980 -9.725 -9.527 40 HH12 ARG 5 2HH1 ARG 5 16.116 -8.600 -10.194 41 HH21 ARG 5 1HH2 ARG 5 14.106 -5.795 -9.632 42 HH22 ARG 5 2HH2 ARG 5 15.619 -6.365 -10.252 43 H ARG 6 H ARG 6 9.930 -9.862 -5.602 44 HA ARG 6 HA ARG 6 9.215 -12.517 -6.025 45 HB2 ARG 6 2HB ARG 6 9.826 -10.925 -3.555 46 HB3 ARG 6 3HB ARG 6 9.330 -12.607 -3.428 47 HG2 ARG 6 2HG ARG 6 11.592 -11.817 -5.218 48 HG3 ARG 6 3HG ARG 6 11.840 -12.043 -3.485 49 HD2 ARG 6 2HD ARG 6 10.791 -14.314 -3.740 50 HD3 ARG 6 3HD ARG 6 10.850 -14.065 -5.485 51 HE ARG 6 HE ARG 6 13.390 -13.682 -4.222 52 HH11 ARG 6 1HH1 ARG 6 11.190 -16.061 -5.493 53 HH12 ARG 6 2HH1 ARG 6 12.431 -17.225 -5.819 54 HH21 ARG 6 1HH2 ARG 6 15.033 -15.205 -4.647 55 HH22 ARG 6 2HH2 ARG 6 14.617 -16.737 -5.337 56 H LYS 7 H LYS 7 7.176 -13.057 -6.546 57 HA LYS 7 HA LYS 7 4.980 -12.023 -4.890 58 HB2 LYS 7 2HB LYS 7 3.497 -12.750 -6.704 59 HB3 LYS 7 3HB LYS 7 4.733 -11.646 -7.291 60 HG2 LYS 7 2HG LYS 7 4.783 -13.228 -8.930 61 HG3 LYS 7 3HG LYS 7 6.010 -13.874 -7.838 62 HD2 LYS 7 2HD LYS 7 4.712 -15.629 -7.200 63 HD3 LYS 7 3HD LYS 7 3.210 -14.717 -7.364 64 HE2 LYS 7 2HE LYS 7 4.806 -15.456 -9.785 65 HE3 LYS 7 3HE LYS 7 3.735 -16.637 -9.032 66 HZ1 LYS 7 3HZ LYS 7 2.033 -14.693 -9.194 67 HZ2 LYS 7 1HZ LYS 7 2.344 -15.664 -10.544 68 HZ3 LYS 7 2HZ LYS 7 3.062 -14.138 -10.417 69 HA PRO 8 HA PRO 8 4.283 -15.909 -2.970 70 HB2 PRO 8 2HB PRO 8 1.583 -15.874 -2.683 71 HB3 PRO 8 3HB PRO 8 2.665 -14.864 -1.717 72 HG2 PRO 8 2HG PRO 8 1.065 -14.145 -4.143 73 HG3 PRO 8 3HG PRO 8 1.301 -13.225 -2.645 74 HD2 PRO 8 2HD PRO 8 2.670 -12.684 -4.918 75 HD3 PRO 8 3HD PRO 8 3.367 -12.442 -3.303 76 H LYS 9 H LYS 9 3.973 -17.994 -3.543 77 HA LYS 9 HA LYS 9 2.150 -18.668 -5.711 78 HB2 LYS 9 2HB LYS 9 4.372 -18.156 -6.755 79 HB3 LYS 9 3HB LYS 9 5.059 -19.478 -5.822 80 HG2 LYS 9 2HG LYS 9 2.693 -20.065 -7.510 81 HG3 LYS 9 3HG LYS 9 4.240 -19.791 -8.314 82 HD2 LYS 9 2HD LYS 9 5.236 -21.504 -6.774 83 HD3 LYS 9 3HD LYS 9 3.599 -21.862 -6.218 84 HE2 LYS 9 2HE LYS 9 3.753 -23.427 -7.858 85 HE3 LYS 9 3HE LYS 9 3.183 -22.076 -8.837 86 HZ1 LYS 9 3HZ LYS 9 5.559 -23.521 -9.107 87 HZ2 LYS 9 1HZ LYS 9 5.976 -21.940 -8.674 88 HZ3 LYS 9 2HZ LYS 9 5.018 -22.218 -10.040 89 H PHE 10 H PHE 10 4.861 -20.298 -4.067 90 HA PHE 10 HA PHE 10 2.929 -22.288 -3.073 91 HB2 PHE 10 2HB PHE 10 4.537 -24.023 -3.387 92 HB3 PHE 10 3HB PHE 10 4.490 -23.101 -4.886 93 HD1 PHE 10 HD1 PHE 10 6.261 -21.193 -5.085 94 HD2 PHE 10 HD2 PHE 10 6.571 -24.495 -2.419 95 HE1 PHE 10 HE1 PHE 10 8.694 -20.854 -4.955 96 HE2 PHE 10 HE2 PHE 10 9.004 -24.162 -2.283 97 HZ PHE 10 HZ PHE 10 10.069 -22.339 -3.551 98 H ARG 11 H ARG 11 3.870 -19.851 -1.766 99 HA ARG 11 HA ARG 11 5.870 -20.331 0.127 100 HB2 ARG 11 2HB ARG 11 4.924 -18.465 1.370 101 HB3 ARG 11 3HB ARG 11 4.945 -18.101 -0.350 102 HG2 ARG 11 2HG ARG 11 2.456 -19.328 0.546 103 HG3 ARG 11 3HG ARG 11 2.808 -17.783 1.322 104 HD2 ARG 11 2HD ARG 11 3.179 -16.807 -0.937 105 HD3 ARG 11 3HD ARG 11 2.655 -18.337 -1.638 106 HE ARG 11 HE ARG 11 0.991 -16.301 -0.475 107 HH11 ARG 11 1HH1 ARG 11 1.252 -19.678 -1.278 108 HH12 ARG 11 2HH1 ARG 11 -0.461 -19.928 -1.348 109 HH21 ARG 11 1HH2 ARG 11 -1.266 -16.616 -0.564 110 HH22 ARG 11 2HH2 ARG 11 -1.892 -18.185 -0.942 111 H LYS 12 H LYS 12 5.810 -20.988 2.284 112 HA LYS 12 HA LYS 12 3.912 -23.053 2.861 113 HB2 LYS 12 2HB LYS 12 6.309 -21.916 4.246 114 HB3 LYS 12 3HB LYS 12 5.203 -22.944 5.149 115 HG2 LYS 12 2HG LYS 12 5.570 -24.766 3.627 116 HG3 LYS 12 3HG LYS 12 6.551 -23.741 2.577 117 HD2 LYS 12 2HD LYS 12 7.285 -24.180 5.453 118 HD3 LYS 12 3HD LYS 12 7.755 -25.333 4.202 119 HE2 LYS 12 2HE LYS 12 8.355 -22.390 4.022 120 HE3 LYS 12 3HE LYS 12 9.451 -23.542 4.782 121 HZ1 LYS 12 3HZ LYS 12 9.663 -24.717 2.726 122 HZ2 LYS 12 1HZ LYS 12 9.974 -23.080 2.430 123 HZ3 LYS 12 2HZ LYS 12 8.488 -23.752 1.982 124 H PHE 13 H PHE 13 4.894 -20.395 5.010 125 HA PHE 13 HA PHE 13 2.149 -20.277 6.015 126 HB2 PHE 13 2HB PHE 13 4.817 -19.479 7.100 127 HB3 PHE 13 3HB PHE 13 3.379 -18.663 7.705 128 HD1 PHE 13 HD1 PHE 13 5.056 -21.929 7.382 129 HD2 PHE 13 HD2 PHE 13 1.895 -19.735 9.202 130 HE1 PHE 13 HE1 PHE 13 4.652 -23.800 8.929 131 HE2 PHE 13 HE2 PHE 13 1.487 -21.602 10.752 132 HZ PHE 13 HZ PHE 13 2.867 -23.637 10.617 133 H LYS 14 H LYS 14 1.049 -18.279 6.267 134 HA LYS 14 HA LYS 14 1.707 -16.363 4.165 135 HB2 LYS 14 2HB LYS 14 -0.764 -16.862 5.815 136 HB3 LYS 14 3HB LYS 14 -0.594 -15.432 4.806 137 HG2 LYS 14 2HG LYS 14 -0.317 -18.229 3.743 138 HG3 LYS 14 3HG LYS 14 -1.851 -17.356 3.789 139 HD2 LYS 14 2HD LYS 14 0.602 -16.212 2.479 140 HD3 LYS 14 3HD LYS 14 -0.517 -17.267 1.613 141 HE2 LYS 14 2HE LYS 14 -2.342 -15.727 2.047 142 HE3 LYS 14 3HE LYS 14 -1.275 -14.696 2.999 143 HZ1 LYS 14 3HZ LYS 14 -0.094 -15.077 0.498 144 HZ2 LYS 14 1HZ LYS 14 -0.718 -13.646 1.150 145 HZ3 LYS 14 2HZ LYS 14 -1.712 -14.660 0.231 146 H LEU 15 H LEU 15 2.416 -14.348 4.532 147 HA LEU 15 HA LEU 15 3.353 -12.599 5.653 148 HB2 LEU 15 2HB LEU 15 0.766 -13.089 7.059 149 HB3 LEU 15 3HB LEU 15 1.873 -11.868 7.682 150 HG LEU 15 HG LEU 15 0.117 -10.904 6.265 151 HD11 LEU 15 1HD1 LEU 15 2.986 -10.643 5.788 152 HD12 LEU 15 2HD1 LEU 15 1.762 -9.405 6.067 153 HD13 LEU 15 3HD1 LEU 15 1.985 -10.076 4.452 154 HD21 LEU 15 3HD2 LEU 15 -0.029 -12.960 4.784 155 HD22 LEU 15 1HD2 LEU 15 1.388 -12.329 3.944 156 HD23 LEU 15 2HD2 LEU 15 -0.107 -11.395 3.972 157 H TYR 16 H TYR 16 4.341 -15.183 6.376 158 HA TYR 16 HA TYR 16 4.573 -15.648 9.105 159 HB2 TYR 16 2HB TYR 16 6.839 -16.687 8.426 160 HB3 TYR 16 3HB TYR 16 5.372 -17.360 7.724 161 HD1 TYR 16 HD2 TYR 16 7.639 -14.493 6.911 162 HD2 TYR 16 HD1 TYR 16 5.633 -17.980 5.525 163 HE1 TYR 16 HE2 TYR 16 8.552 -14.116 4.658 164 HE2 TYR 16 HE1 TYR 16 6.542 -17.614 3.269 165 HH TYR 16 HH TYR 16 7.652 -14.901 2.152 166 H HIS 17 H HIS 17 6.946 -15.558 10.126 167 HA HIS 17 HA HIS 17 7.496 -12.726 10.422 168 HB2 HIS 17 2HB HIS 17 8.129 -15.198 11.946 169 HB3 HIS 17 3HB HIS 17 9.252 -13.851 12.104 170 HD1 HIS 17 HD1 HIS 17 6.066 -15.108 13.342 171 HD2 HIS 17 HD2 HIS 17 7.966 -11.422 13.094 172 HE1 HIS 17 HE1 HIS 17 4.837 -13.609 14.944 173 H GLU 18 H GLU 18 8.294 -12.752 8.100 174 HA GLU 18 HA GLU 18 11.190 -12.864 8.164 175 HB2 GLU 18 2HB GLU 18 9.797 -15.022 7.088 176 HB3 GLU 18 3HB GLU 18 10.258 -14.065 5.687 177 HG2 GLU 18 2HG GLU 18 11.963 -15.675 6.077 178 HG3 GLU 18 3HG GLU 18 12.600 -14.091 6.515 179 H GLY 19 H GLY 19 11.176 -10.640 7.912 180 HA2 GLY 19 2HA GLY 19 11.289 -8.698 6.686 181 HA3 GLY 19 3HA GLY 19 11.060 -9.677 5.245 182 H LYS 20 H LYS 20 9.879 -7.073 6.526 183 HA LYS 20 HA LYS 20 7.043 -7.722 6.453 184 HB2 LYS 20 2HB LYS 20 8.681 -5.416 7.339 185 HB3 LYS 20 3HB LYS 20 7.075 -5.043 6.729 186 HG2 LYS 20 2HG LYS 20 6.584 -5.329 8.926 187 HG3 LYS 20 3HG LYS 20 6.386 -6.993 8.373 188 HD2 LYS 20 2HD LYS 20 8.577 -7.578 9.157 189 HD3 LYS 20 3HD LYS 20 8.944 -5.892 9.533 190 HE2 LYS 20 2HE LYS 20 7.523 -5.865 11.373 191 HE3 LYS 20 3HE LYS 20 6.610 -7.265 10.811 192 HZ1 LYS 20 3HZ LYS 20 7.859 -8.382 12.266 193 HZ2 LYS 20 1HZ LYS 20 9.017 -7.155 12.388 194 HZ3 LYS 20 2HZ LYS 20 9.094 -8.267 11.116 195 H PHE 21 H PHE 21 6.633 -8.228 4.314 196 HA PHE 21 HA PHE 21 5.959 -6.132 2.594 197 HB2 PHE 21 2HB PHE 21 8.677 -6.529 2.524 198 HB3 PHE 21 3HB PHE 21 8.122 -7.522 1.180 199 HD1 PHE 21 HD2 PHE 21 6.059 -6.154 -0.113 200 HD2 PHE 21 HD1 PHE 21 9.458 -4.495 1.840 201 HE1 PHE 21 HE2 PHE 21 5.885 -4.146 -1.524 202 HE2 PHE 21 HE1 PHE 21 9.289 -2.484 0.433 203 HZ PHE 21 HZ PHE 21 7.502 -2.308 -1.253 204 H TRP 22 H TRP 22 4.146 -7.091 1.931 205 HA TRP 22 HA TRP 22 4.383 -9.634 0.493 206 HB2 TRP 22 2HB TRP 22 2.644 -9.060 2.854 207 HB3 TRP 22 3HB TRP 22 2.020 -10.110 1.584 208 HD1 TRP 22 HD1 TRP 22 5.038 -9.909 4.003 209 HE1 TRP 22 HE1 TRP 22 5.813 -12.312 4.507 210 HE3 TRP 22 HE3 TRP 22 1.905 -12.449 0.861 211 HZ2 TRP 22 HZ2 TRP 22 5.181 -14.936 3.681 212 HZ3 TRP 22 HZ3 TRP 22 2.054 -14.904 0.777 213 HH2 TRP 22 HH2 TRP 22 3.659 -16.119 2.158 214 H CYS 23 H CYS 23 4.273 -8.174 -1.341 215 HA CYS 23 HA CYS 23 1.725 -8.045 -2.488 216 HB2 CYS 23 2HB CYS 23 1.270 -6.236 -0.938 217 HB3 CYS 23 3HB CYS 23 2.748 -5.408 -1.417 218 HA PRO 24 HA PRO 24 5.067 -7.880 -5.548 219 HB2 PRO 24 2HB PRO 24 3.656 -9.190 -7.463 220 HB3 PRO 24 3HB PRO 24 4.504 -10.023 -6.155 221 HG2 PRO 24 2HG PRO 24 1.600 -9.334 -6.393 222 HG3 PRO 24 3HG PRO 24 2.350 -10.837 -5.825 223 HD2 PRO 24 2HD PRO 24 1.377 -8.964 -4.129 224 HD3 PRO 24 3HD PRO 24 2.776 -9.981 -3.728 Start of MODEL 8 1 H1 THR 1 H THR 1 0.640 0.941 -0.368 2 HA THR 1 HA THR 1 0.588 -0.039 -3.149 3 HB THR 1 HB THR 1 2.327 1.786 -3.568 4 HG1 THR 1 HG1 THR 1 2.593 2.210 -1.248 5 HG21 THR 1 3HG2 THR 1 -0.295 3.013 -2.829 6 HG22 THR 1 1HG2 THR 1 -0.242 1.774 -4.082 7 HG23 THR 1 2HG2 THR 1 0.692 3.258 -4.269 8 H CYS 2 H CYS 2 2.404 -1.064 -3.948 9 HA CYS 2 HA CYS 2 4.680 -1.441 -2.145 10 HB2 CYS 2 2HB CYS 2 4.641 -3.913 -2.759 11 HB3 CYS 2 3HB CYS 2 3.409 -3.371 -1.625 12 H HIS 3 H HIS 3 6.253 -3.087 -3.479 13 HA HIS 3 HA HIS 3 6.571 -1.821 -6.120 14 HB2 HIS 3 2HB HIS 3 8.326 -1.369 -4.325 15 HB3 HIS 3 3HB HIS 3 8.790 -3.059 -4.495 16 HD1 HIS 3 HD1 HIS 3 10.164 -3.704 -6.537 17 HD2 HIS 3 HD2 HIS 3 8.931 0.263 -6.570 18 HE1 HIS 3 HE1 HIS 3 11.447 -2.617 -8.407 19 H ILE 4 H ILE 4 7.004 -3.079 -7.896 20 HA ILE 4 HA ILE 4 6.290 -5.873 -7.665 21 HB ILE 4 HB ILE 4 7.102 -4.391 -10.164 22 HG12 ILE 4 2HG1 ILE 4 5.250 -3.206 -9.095 23 HG13 ILE 4 3HG1 ILE 4 4.691 -4.033 -10.545 24 HG21 ILE 4 1HG2 ILE 4 5.189 -6.313 -10.751 25 HG22 ILE 4 2HG2 ILE 4 6.921 -6.418 -11.063 26 HG23 ILE 4 3HG2 ILE 4 6.251 -7.092 -9.578 27 HD11 ILE 4 3HD1 ILE 4 3.042 -4.779 -9.253 28 HD12 ILE 4 1HD1 ILE 4 4.239 -5.898 -8.602 29 HD13 ILE 4 2HD1 ILE 4 3.903 -4.382 -7.766 30 H ARG 5 H ARG 5 7.765 -7.353 -7.191 31 HA ARG 5 HA ARG 5 10.269 -7.421 -8.646 32 HB2 ARG 5 2HB ARG 5 11.570 -7.731 -6.491 33 HB3 ARG 5 3HB ARG 5 11.030 -6.094 -6.838 34 HG2 ARG 5 2HG ARG 5 9.077 -6.517 -5.326 35 HG3 ARG 5 3HG ARG 5 9.853 -8.034 -4.866 36 HD2 ARG 5 2HD ARG 5 11.785 -5.961 -4.682 37 HD3 ARG 5 3HD ARG 5 10.323 -5.418 -3.859 38 HE ARG 5 HE ARG 5 10.671 -7.013 -2.242 39 HH11 ARG 5 1HH1 ARG 5 12.764 -7.622 -4.956 40 HH12 ARG 5 2HH1 ARG 5 13.692 -8.833 -4.135 41 HH21 ARG 5 1HH2 ARG 5 11.885 -8.606 -1.151 42 HH22 ARG 5 2HH2 ARG 5 13.191 -9.393 -1.971 43 H ARG 6 H ARG 6 8.416 -8.859 -5.971 44 HA ARG 6 HA ARG 6 8.598 -11.458 -7.242 45 HB2 ARG 6 2HB ARG 6 9.866 -10.840 -4.583 46 HB3 ARG 6 3HB ARG 6 9.336 -12.466 -4.994 47 HG2 ARG 6 2HG ARG 6 11.340 -10.838 -6.544 48 HG3 ARG 6 3HG ARG 6 11.721 -12.139 -5.414 49 HD2 ARG 6 2HD ARG 6 10.147 -13.555 -6.915 50 HD3 ARG 6 3HD ARG 6 10.427 -12.286 -8.107 51 HE ARG 6 HE ARG 6 12.900 -13.137 -7.102 52 HH11 ARG 6 1HH1 ARG 6 10.272 -14.307 -9.062 53 HH12 ARG 6 2HH1 ARG 6 11.268 -15.378 -9.990 54 HH21 ARG 6 1HH2 ARG 6 14.223 -14.544 -8.317 55 HH22 ARG 6 2HH2 ARG 6 13.515 -15.513 -9.565 56 H LYS 7 H LYS 7 6.854 -12.712 -6.827 57 HA LYS 7 HA LYS 7 4.882 -11.641 -4.922 58 HB2 LYS 7 2HB LYS 7 3.297 -13.131 -6.351 59 HB3 LYS 7 3HB LYS 7 3.829 -11.581 -6.988 60 HG2 LYS 7 2HG LYS 7 3.943 -13.248 -8.716 61 HG3 LYS 7 3HG LYS 7 5.577 -12.741 -8.280 62 HD2 LYS 7 2HD LYS 7 6.103 -14.758 -7.359 63 HD3 LYS 7 3HD LYS 7 4.445 -15.079 -6.846 64 HE2 LYS 7 2HE LYS 7 3.848 -15.969 -8.866 65 HE3 LYS 7 3HE LYS 7 5.019 -15.002 -9.761 66 HZ1 LYS 7 3HZ LYS 7 6.579 -16.585 -8.216 67 HZ2 LYS 7 1HZ LYS 7 6.201 -16.873 -9.840 68 HZ3 LYS 7 2HZ LYS 7 5.303 -17.621 -8.617 69 HA PRO 8 HA PRO 8 5.006 -15.275 -2.465 70 HB2 PRO 8 2HB PRO 8 2.397 -15.584 -1.782 71 HB3 PRO 8 3HB PRO 8 3.416 -14.299 -1.124 72 HG2 PRO 8 2HG PRO 8 1.420 -14.181 -3.352 73 HG3 PRO 8 3HG PRO 8 1.696 -13.026 -2.035 74 HD2 PRO 8 2HD PRO 8 2.652 -12.636 -4.538 75 HD3 PRO 8 3HD PRO 8 3.504 -12.062 -3.090 76 H LYS 9 H LYS 9 5.163 -17.378 -2.919 77 HA LYS 9 HA LYS 9 3.088 -18.814 -4.291 78 HB2 LYS 9 2HB LYS 9 4.456 -19.555 -6.182 79 HB3 LYS 9 3HB LYS 9 4.234 -17.811 -6.207 80 HG2 LYS 9 2HG LYS 9 6.450 -17.865 -6.636 81 HG3 LYS 9 3HG LYS 9 6.537 -17.903 -4.873 82 HD2 LYS 9 2HD LYS 9 7.193 -20.082 -4.817 83 HD3 LYS 9 3HD LYS 9 6.287 -20.506 -6.271 84 HE2 LYS 9 2HE LYS 9 8.715 -18.746 -6.391 85 HE3 LYS 9 3HE LYS 9 8.853 -20.503 -6.395 86 HZ1 LYS 9 3HZ LYS 9 7.505 -20.594 -8.374 87 HZ2 LYS 9 1HZ LYS 9 8.818 -19.560 -8.638 88 HZ3 LYS 9 2HZ LYS 9 7.280 -18.917 -8.352 89 H PHE 10 H PHE 10 3.195 -20.998 -3.927 90 HA PHE 10 HA PHE 10 3.736 -22.884 -2.768 91 HB2 PHE 10 2HB PHE 10 5.572 -22.645 -4.608 92 HB3 PHE 10 3HB PHE 10 6.632 -22.267 -3.254 93 HD1 PHE 10 HD1 PHE 10 4.275 -24.842 -4.514 94 HD2 PHE 10 HD2 PHE 10 7.597 -23.969 -2.001 95 HE1 PHE 10 HE1 PHE 10 4.580 -27.246 -4.089 96 HE2 PHE 10 HE2 PHE 10 7.909 -26.372 -1.573 97 HZ PHE 10 HZ PHE 10 6.400 -28.014 -2.618 98 H ARG 11 H ARG 11 3.070 -21.368 -0.893 99 HA ARG 11 HA ARG 11 5.258 -21.388 1.076 100 HB2 ARG 11 2HB ARG 11 4.383 -19.352 2.075 101 HB3 ARG 11 3HB ARG 11 4.758 -19.077 0.379 102 HG2 ARG 11 2HG ARG 11 1.981 -19.811 1.198 103 HG3 ARG 11 3HG ARG 11 2.556 -18.151 1.372 104 HD2 ARG 11 2HD ARG 11 3.343 -18.573 -1.129 105 HD3 ARG 11 3HD ARG 11 2.020 -19.737 -1.080 106 HE ARG 11 HE ARG 11 1.326 -17.110 -0.120 107 HH11 ARG 11 1HH1 ARG 11 1.551 -19.201 -2.894 108 HH12 ARG 11 2HH1 ARG 11 0.381 -18.318 -3.818 109 HH21 ARG 11 1HH2 ARG 11 -0.215 -15.939 -1.326 110 HH22 ARG 11 2HH2 ARG 11 -0.622 -16.462 -2.925 111 H LYS 12 H LYS 12 4.731 -22.008 3.160 112 HA LYS 12 HA LYS 12 2.190 -23.436 3.403 113 HB2 LYS 12 2HB LYS 12 3.223 -24.554 5.323 114 HB3 LYS 12 3HB LYS 12 4.232 -24.693 3.888 115 HG2 LYS 12 2HG LYS 12 5.304 -22.489 4.959 116 HG3 LYS 12 3HG LYS 12 4.727 -23.277 6.429 117 HD2 LYS 12 2HD LYS 12 6.867 -24.139 6.205 118 HD3 LYS 12 3HD LYS 12 5.874 -25.387 5.448 119 HE2 LYS 12 2HE LYS 12 6.390 -24.505 3.251 120 HE3 LYS 12 3HE LYS 12 7.297 -23.174 3.970 121 HZ1 LYS 12 3HZ LYS 12 8.127 -25.858 3.438 122 HZ2 LYS 12 1HZ LYS 12 8.431 -25.409 5.041 123 HZ3 LYS 12 2HZ LYS 12 9.062 -24.488 3.770 124 H PHE 13 H PHE 13 4.096 -20.927 4.990 125 HA PHE 13 HA PHE 13 1.802 -20.356 6.742 126 HB2 PHE 13 2HB PHE 13 4.749 -19.797 7.068 127 HB3 PHE 13 3HB PHE 13 3.524 -19.042 8.083 128 HD1 PHE 13 HD2 PHE 13 1.649 -21.198 8.581 129 HD2 PHE 13 HD1 PHE 13 5.901 -21.283 8.399 130 HE1 PHE 13 HE2 PHE 13 1.670 -23.160 10.064 131 HE2 PHE 13 HE1 PHE 13 5.928 -23.246 9.881 132 HZ PHE 13 HZ PHE 13 3.811 -24.187 10.717 133 H LYS 14 H LYS 14 0.775 -18.451 6.600 134 HA LYS 14 HA LYS 14 1.572 -16.636 4.471 135 HB2 LYS 14 2HB LYS 14 -0.901 -16.886 6.174 136 HB3 LYS 14 3HB LYS 14 -0.640 -15.511 5.109 137 HG2 LYS 14 2HG LYS 14 -0.629 -18.368 4.171 138 HG3 LYS 14 3HG LYS 14 -2.058 -17.333 4.160 139 HD2 LYS 14 2HD LYS 14 0.398 -16.256 2.899 140 HD3 LYS 14 3HD LYS 14 -0.426 -17.571 2.057 141 HE2 LYS 14 2HE LYS 14 -2.039 -15.279 3.067 142 HE3 LYS 14 3HE LYS 14 -1.059 -15.050 1.619 143 HZ1 LYS 14 3HZ LYS 14 -2.256 -16.644 0.461 144 HZ2 LYS 14 1HZ LYS 14 -3.457 -15.844 1.343 145 HZ3 LYS 14 2HZ LYS 14 -2.891 -17.351 1.861 146 H LEU 15 H LEU 15 2.392 -14.643 4.750 147 HA LEU 15 HA LEU 15 3.456 -12.915 5.785 148 HB2 LEU 15 2HB LEU 15 0.914 -13.245 7.308 149 HB3 LEU 15 3HB LEU 15 2.112 -12.085 7.878 150 HG LEU 15 HG LEU 15 0.316 -11.077 6.498 151 HD11 LEU 15 1HD1 LEU 15 2.000 -10.017 4.814 152 HD12 LEU 15 2HD1 LEU 15 3.195 -10.936 5.728 153 HD13 LEU 15 3HD1 LEU 15 2.188 -9.742 6.546 154 HD21 LEU 15 3HD2 LEU 15 1.553 -12.713 4.286 155 HD22 LEU 15 1HD2 LEU 15 0.329 -11.460 4.082 156 HD23 LEU 15 2HD2 LEU 15 -0.059 -12.935 4.968 157 H TYR 16 H TYR 16 4.404 -15.491 6.489 158 HA TYR 16 HA TYR 16 4.729 -15.954 9.212 159 HB2 TYR 16 2HB TYR 16 6.937 -17.060 8.440 160 HB3 TYR 16 3HB TYR 16 5.420 -17.699 7.818 161 HD1 TYR 16 HD2 TYR 16 7.697 -14.885 6.857 162 HD2 TYR 16 HD1 TYR 16 5.581 -18.364 5.622 163 HE1 TYR 16 HE2 TYR 16 8.508 -14.555 4.559 164 HE2 TYR 16 HE1 TYR 16 6.388 -18.044 3.321 165 HH TYR 16 HH TYR 16 7.214 -15.860 1.947 166 H HIS 17 H HIS 17 7.183 -15.946 10.089 167 HA HIS 17 HA HIS 17 7.814 -13.128 10.370 168 HB2 HIS 17 2HB HIS 17 7.695 -14.562 12.369 169 HB3 HIS 17 3HB HIS 17 9.013 -15.546 11.739 170 HD1 HIS 17 HD1 HIS 17 9.149 -11.816 11.482 171 HD2 HIS 17 HD2 HIS 17 10.711 -14.854 13.846 172 HE1 HIS 17 HE1 HIS 17 10.955 -10.735 12.858 173 H GLU 18 H GLU 18 8.495 -13.150 8.018 174 HA GLU 18 HA GLU 18 11.386 -13.365 7.929 175 HB2 GLU 18 2HB GLU 18 9.867 -15.455 6.903 176 HB3 GLU 18 3HB GLU 18 10.268 -14.490 5.490 177 HG2 GLU 18 2HG GLU 18 12.537 -14.838 5.727 178 HG3 GLU 18 3HG GLU 18 12.401 -15.235 7.439 179 H GLY 19 H GLY 19 11.515 -11.162 7.669 180 HA2 GLY 19 2HA GLY 19 11.571 -9.178 6.516 181 HA3 GLY 19 3HA GLY 19 11.324 -10.131 5.060 182 H LYS 20 H LYS 20 9.933 -7.960 7.284 183 HA LYS 20 HA LYS 20 7.191 -8.478 6.845 184 HB2 LYS 20 2HB LYS 20 8.804 -6.281 7.994 185 HB3 LYS 20 3HB LYS 20 7.213 -5.828 7.399 186 HG2 LYS 20 2HG LYS 20 6.640 -6.363 9.518 187 HG3 LYS 20 3HG LYS 20 6.510 -7.972 8.805 188 HD2 LYS 20 2HD LYS 20 7.790 -8.410 10.669 189 HD3 LYS 20 3HD LYS 20 9.041 -8.137 9.453 190 HE2 LYS 20 2HE LYS 20 9.679 -6.921 11.391 191 HE3 LYS 20 3HE LYS 20 9.109 -5.743 10.209 192 HZ1 LYS 20 3HZ LYS 20 7.117 -6.773 12.060 193 HZ2 LYS 20 1HZ LYS 20 7.336 -5.204 11.466 194 HZ3 LYS 20 2HZ LYS 20 8.304 -5.772 12.731 195 H PHE 21 H PHE 21 6.814 -8.769 4.650 196 HA PHE 21 HA PHE 21 6.073 -6.508 3.177 197 HB2 PHE 21 2HB PHE 21 8.764 -6.706 3.071 198 HB3 PHE 21 3HB PHE 21 8.334 -7.736 1.709 199 HD1 PHE 21 HD2 PHE 21 6.806 -6.763 -0.079 200 HD2 PHE 21 HD1 PHE 21 8.779 -4.391 2.854 201 HE1 PHE 21 HE2 PHE 21 6.502 -4.770 -1.490 202 HE2 PHE 21 HE1 PHE 21 8.477 -2.395 1.448 203 HZ PHE 21 HZ PHE 21 7.338 -2.583 -0.727 204 H TRP 22 H TRP 22 4.284 -7.423 2.401 205 HA TRP 22 HA TRP 22 4.577 -9.840 0.758 206 HB2 TRP 22 2HB TRP 22 2.720 -9.395 3.058 207 HB3 TRP 22 3HB TRP 22 2.161 -10.358 1.693 208 HD1 TRP 22 HD1 TRP 22 5.212 -10.321 4.101 209 HE1 TRP 22 HE1 TRP 22 5.876 -12.764 4.564 210 HE3 TRP 22 HE3 TRP 22 1.832 -12.671 1.069 211 HZ2 TRP 22 HZ2 TRP 22 5.074 -15.346 3.752 212 HZ3 TRP 22 HZ3 TRP 22 1.847 -15.129 0.969 213 HH2 TRP 22 HH2 TRP 22 3.436 -16.437 2.283 214 H CYS 23 H CYS 23 4.578 -8.256 -0.975 215 HA CYS 23 HA CYS 23 2.071 -7.995 -2.211 216 HB2 CYS 23 2HB CYS 23 1.765 -6.232 -0.485 217 HB3 CYS 23 3HB CYS 23 3.170 -5.391 -1.133 218 HA PRO 24 HA PRO 24 5.511 -7.822 -5.156 219 HB2 PRO 24 2HB PRO 24 4.103 -8.951 -7.184 220 HB3 PRO 24 3HB PRO 24 4.865 -9.897 -5.900 221 HG2 PRO 24 2HG PRO 24 2.008 -9.049 -6.187 222 HG3 PRO 24 3HG PRO 24 2.664 -10.618 -5.683 223 HD2 PRO 24 2HD PRO 24 1.728 -8.793 -3.915 224 HD3 PRO 24 3HD PRO 24 3.061 -9.901 -3.529 Start of MODEL 9 1 H1 THR 1 H THR 1 0.441 1.355 -2.671 2 HA THR 1 HA THR 1 2.677 0.937 -2.119 3 HB THR 1 HB THR 1 1.469 1.386 -0.033 4 HG1 THR 1 HG1 THR 1 3.754 0.766 -0.038 5 HG21 THR 1 3HG2 THR 1 -0.079 -0.097 0.605 6 HG22 THR 1 1HG2 THR 1 1.253 -1.073 1.222 7 HG23 THR 1 2HG2 THR 1 0.618 -1.370 -0.396 8 H CYS 2 H CYS 2 2.034 -0.998 -3.982 9 HA CYS 2 HA CYS 2 3.270 -3.419 -2.842 10 HB2 CYS 2 2HB CYS 2 1.498 -3.333 -5.286 11 HB3 CYS 2 3HB CYS 2 2.064 -4.757 -4.420 12 H HIS 3 H HIS 3 5.204 -1.931 -3.367 13 HA HIS 3 HA HIS 3 5.968 -2.136 -6.191 14 HB2 HIS 3 2HB HIS 3 6.863 -0.417 -3.910 15 HB3 HIS 3 3HB HIS 3 7.968 -0.707 -5.251 16 HD1 HIS 3 HD1 HIS 3 6.891 -0.063 -7.695 17 HD2 HIS 3 HD2 HIS 3 5.153 1.642 -4.329 18 HE1 HIS 3 HE1 HIS 3 5.584 1.912 -8.540 19 H ILE 4 H ILE 4 6.513 -4.316 -6.297 20 HA ILE 4 HA ILE 4 9.170 -4.977 -5.660 21 HB ILE 4 HB ILE 4 8.296 -5.167 -3.367 22 HG12 ILE 4 2HG1 ILE 4 9.098 -7.470 -2.927 23 HG13 ILE 4 3HG1 ILE 4 9.015 -7.812 -4.652 24 HG21 ILE 4 1HG2 ILE 4 6.451 -6.324 -2.778 25 HG22 ILE 4 2HG2 ILE 4 6.009 -6.062 -4.464 26 HG23 ILE 4 3HG2 ILE 4 6.734 -7.592 -3.970 27 HD11 ILE 4 3HD1 ILE 4 11.274 -7.166 -3.542 28 HD12 ILE 4 1HD1 ILE 4 10.852 -6.525 -5.129 29 HD13 ILE 4 2HD1 ILE 4 10.658 -5.521 -3.692 30 H ARG 5 H ARG 5 9.844 -6.755 -6.782 31 HA ARG 5 HA ARG 5 7.986 -7.857 -8.688 32 HB2 ARG 5 2HB ARG 5 9.961 -9.021 -9.595 33 HB3 ARG 5 3HB ARG 5 10.237 -7.294 -9.408 34 HG2 ARG 5 2HG ARG 5 11.434 -7.752 -7.295 35 HG3 ARG 5 3HG ARG 5 11.228 -9.479 -7.590 36 HD2 ARG 5 2HD ARG 5 12.343 -8.955 -9.876 37 HD3 ARG 5 3HD ARG 5 12.900 -7.489 -9.070 38 HE ARG 5 HE ARG 5 13.896 -10.135 -8.694 39 HH11 ARG 5 1HH1 ARG 5 13.354 -7.089 -7.097 40 HH12 ARG 5 2HH1 ARG 5 14.617 -7.325 -5.935 41 HH21 ARG 5 1HH2 ARG 5 15.562 -10.457 -7.169 42 HH22 ARG 5 2HH2 ARG 5 15.873 -9.241 -5.977 43 H ARG 6 H ARG 6 9.838 -9.038 -5.917 44 HA ARG 6 HA ARG 6 9.334 -11.755 -6.132 45 HB2 ARG 6 2HB ARG 6 10.879 -10.769 -4.490 46 HB3 ARG 6 3HB ARG 6 9.513 -10.110 -3.601 47 HG2 ARG 6 2HG ARG 6 9.847 -11.976 -2.371 48 HG3 ARG 6 3HG ARG 6 8.784 -12.665 -3.599 49 HD2 ARG 6 2HD ARG 6 10.975 -13.157 -4.880 50 HD3 ARG 6 3HD ARG 6 11.757 -12.906 -3.320 51 HE ARG 6 HE ARG 6 9.586 -14.743 -3.137 52 HH11 ARG 6 1HH1 ARG 6 12.918 -14.436 -4.097 53 HH12 ARG 6 2HH1 ARG 6 13.284 -16.109 -3.832 54 HH21 ARG 6 1HH2 ARG 6 10.056 -16.947 -2.785 55 HH22 ARG 6 2HH2 ARG 6 11.655 -17.536 -3.087 56 H LYS 7 H LYS 7 7.349 -12.494 -6.624 57 HA LYS 7 HA LYS 7 5.080 -11.584 -4.985 58 HB2 LYS 7 2HB LYS 7 3.641 -12.420 -6.791 59 HB3 LYS 7 3HB LYS 7 4.784 -11.221 -7.381 60 HG2 LYS 7 2HG LYS 7 4.948 -12.787 -9.028 61 HG3 LYS 7 3HG LYS 7 6.225 -13.345 -7.944 62 HD2 LYS 7 2HD LYS 7 5.039 -15.178 -7.269 63 HD3 LYS 7 3HD LYS 7 3.477 -14.391 -7.509 64 HE2 LYS 7 2HE LYS 7 3.705 -16.105 -9.161 65 HE3 LYS 7 3HE LYS 7 3.859 -14.545 -9.968 66 HZ1 LYS 7 3HZ LYS 7 5.952 -14.980 -10.565 67 HZ2 LYS 7 1HZ LYS 7 5.583 -16.598 -10.233 68 HZ3 LYS 7 2HZ LYS 7 6.362 -15.652 -9.068 69 HA PRO 8 HA PRO 8 4.685 -15.514 -3.068 70 HB2 PRO 8 2HB PRO 8 1.993 -15.681 -2.764 71 HB3 PRO 8 3HB PRO 8 3.003 -14.594 -1.803 72 HG2 PRO 8 2HG PRO 8 1.338 -13.993 -4.217 73 HG3 PRO 8 3HG PRO 8 1.515 -13.060 -2.719 74 HD2 PRO 8 2HD PRO 8 2.824 -12.416 -5.000 75 HD3 PRO 8 3HD PRO 8 3.512 -12.125 -3.389 76 H LYS 9 H LYS 9 4.518 -17.618 -3.637 77 HA LYS 9 HA LYS 9 2.899 -18.308 -5.992 78 HB2 LYS 9 2HB LYS 9 5.403 -18.039 -6.473 79 HB3 LYS 9 3HB LYS 9 5.626 -19.493 -5.509 80 HG2 LYS 9 2HG LYS 9 3.675 -19.525 -7.761 81 HG3 LYS 9 3HG LYS 9 5.403 -19.639 -8.103 82 HD2 LYS 9 2HD LYS 9 5.296 -21.471 -6.200 83 HD3 LYS 9 3HD LYS 9 3.606 -21.555 -6.702 84 HE2 LYS 9 2HE LYS 9 4.757 -23.176 -7.981 85 HE3 LYS 9 3HE LYS 9 4.451 -21.820 -9.066 86 HZ1 LYS 9 3HZ LYS 9 6.826 -22.975 -8.804 87 HZ2 LYS 9 1HZ LYS 9 6.979 -21.761 -7.635 88 HZ3 LYS 9 2HZ LYS 9 6.632 -21.352 -9.239 89 H PHE 10 H PHE 10 5.057 -20.014 -3.721 90 HA PHE 10 HA PHE 10 2.790 -21.522 -2.688 91 HB2 PHE 10 2HB PHE 10 3.514 -22.861 -4.598 92 HB3 PHE 10 3HB PHE 10 5.170 -22.850 -4.001 93 HD1 PHE 10 HD2 PHE 10 1.946 -23.439 -2.235 94 HD2 PHE 10 HD1 PHE 10 5.703 -25.024 -3.453 95 HE1 PHE 10 HE2 PHE 10 1.492 -25.489 -0.953 96 HE2 PHE 10 HE1 PHE 10 5.255 -27.078 -2.174 97 HZ PHE 10 HZ PHE 10 3.148 -27.312 -0.921 98 H ARG 11 H ARG 11 3.022 -21.014 -0.596 99 HA ARG 11 HA ARG 11 5.466 -21.856 0.749 100 HB2 ARG 11 2HB ARG 11 5.436 -19.697 2.091 101 HB3 ARG 11 3HB ARG 11 6.011 -19.578 0.434 102 HG2 ARG 11 2HG ARG 11 3.135 -19.061 0.975 103 HG3 ARG 11 3HG ARG 11 4.320 -17.833 1.426 104 HD2 ARG 11 2HD ARG 11 4.982 -18.732 -1.171 105 HD3 ARG 11 3HD ARG 11 3.244 -18.435 -1.148 106 HE ARG 11 HE ARG 11 3.652 -16.182 -0.882 107 HH11 ARG 11 1HH1 ARG 11 6.606 -17.984 -0.494 108 HH12 ARG 11 2HH1 ARG 11 7.620 -16.580 -0.530 109 HH21 ARG 11 1HH2 ARG 11 4.977 -14.326 -0.931 110 HH22 ARG 11 2HH2 ARG 11 6.693 -14.500 -0.778 111 H LYS 12 H LYS 12 4.919 -23.067 2.428 112 HA LYS 12 HA LYS 12 2.350 -23.594 3.273 113 HB2 LYS 12 2HB LYS 12 5.050 -23.989 4.464 114 HB3 LYS 12 3HB LYS 12 3.658 -24.210 5.515 115 HG2 LYS 12 2HG LYS 12 4.005 -26.340 4.727 116 HG3 LYS 12 3HG LYS 12 2.785 -25.736 3.604 117 HD2 LYS 12 2HD LYS 12 4.407 -25.346 1.916 118 HD3 LYS 12 3HD LYS 12 5.740 -25.587 3.047 119 HE2 LYS 12 2HE LYS 12 5.096 -27.939 3.291 120 HE3 LYS 12 3HE LYS 12 3.774 -27.693 2.151 121 HZ1 LYS 12 3HZ LYS 12 5.441 -27.085 0.469 122 HZ2 LYS 12 1HZ LYS 12 5.640 -28.669 1.028 123 HZ3 LYS 12 2HZ LYS 12 6.675 -27.445 1.568 124 H PHE 13 H PHE 13 4.724 -21.591 5.035 125 HA PHE 13 HA PHE 13 2.575 -20.439 6.622 126 HB2 PHE 13 2HB PHE 13 5.561 -19.960 6.740 127 HB3 PHE 13 3HB PHE 13 4.377 -19.368 7.901 128 HD1 PHE 13 HD1 PHE 13 2.756 -21.413 8.733 129 HD2 PHE 13 HD2 PHE 13 6.807 -21.729 7.466 130 HE1 PHE 13 HE1 PHE 13 3.000 -23.485 10.039 131 HE2 PHE 13 HE2 PHE 13 7.057 -23.801 8.769 132 HZ PHE 13 HZ PHE 13 5.152 -24.682 10.057 133 H LYS 14 H LYS 14 1.613 -18.584 6.145 134 HA LYS 14 HA LYS 14 2.835 -16.851 4.113 135 HB2 LYS 14 2HB LYS 14 0.046 -17.525 4.864 136 HB3 LYS 14 3HB LYS 14 0.338 -15.868 4.350 137 HG2 LYS 14 2HG LYS 14 1.266 -18.206 2.719 138 HG3 LYS 14 3HG LYS 14 -0.371 -17.559 2.578 139 HD2 LYS 14 2HD LYS 14 1.040 -15.279 2.388 140 HD3 LYS 14 3HD LYS 14 2.211 -16.412 1.709 141 HE2 LYS 14 2HE LYS 14 0.987 -16.757 -0.149 142 HE3 LYS 14 3HE LYS 14 -0.540 -16.737 0.731 143 HZ1 LYS 14 3HZ LYS 14 0.923 -14.529 -0.503 144 HZ2 LYS 14 1HZ LYS 14 0.065 -14.196 0.916 145 HZ3 LYS 14 2HZ LYS 14 -0.742 -14.817 -0.434 146 H LEU 15 H LEU 15 2.971 -14.612 4.418 147 HA LEU 15 HA LEU 15 3.494 -12.740 5.603 148 HB2 LEU 15 2HB LEU 15 0.989 -13.734 6.876 149 HB3 LEU 15 3HB LEU 15 1.833 -12.367 7.600 150 HG LEU 15 HG LEU 15 -0.017 -11.686 6.122 151 HD11 LEU 15 1HD1 LEU 15 1.825 -10.449 4.477 152 HD12 LEU 15 2HD1 LEU 15 2.745 -10.823 5.934 153 HD13 LEU 15 3HD1 LEU 15 1.266 -9.870 6.046 154 HD21 LEU 15 3HD2 LEU 15 1.541 -12.431 3.712 155 HD22 LEU 15 1HD2 LEU 15 -0.201 -12.269 3.933 156 HD23 LEU 15 2HD2 LEU 15 0.632 -13.708 4.521 157 H TYR 16 H TYR 16 4.748 -15.292 6.384 158 HA TYR 16 HA TYR 16 5.007 -15.633 9.121 159 HB2 TYR 16 2HB TYR 16 7.391 -16.429 8.487 160 HB3 TYR 16 3HB TYR 16 6.010 -17.293 7.821 161 HD1 TYR 16 HD1 TYR 16 7.910 -14.209 6.870 162 HD2 TYR 16 HD2 TYR 16 6.362 -17.982 5.656 163 HE1 TYR 16 HE1 TYR 16 8.774 -13.826 4.600 164 HE2 TYR 16 HE2 TYR 16 7.223 -17.610 3.382 165 HH TYR 16 HH TYR 16 9.463 -15.715 2.550 166 H HIS 17 H HIS 17 7.254 -15.232 10.243 167 HA HIS 17 HA HIS 17 7.514 -12.364 10.447 168 HB2 HIS 17 2HB HIS 17 8.410 -14.718 12.022 169 HB3 HIS 17 3HB HIS 17 9.385 -13.257 12.152 170 HD1 HIS 17 HD1 HIS 17 5.694 -12.943 11.725 171 HD2 HIS 17 HD2 HIS 17 8.500 -12.840 14.787 172 HE1 HIS 17 HE1 HIS 17 4.475 -12.025 13.724 173 H GLU 18 H GLU 18 8.328 -12.302 8.144 174 HA GLU 18 HA GLU 18 11.222 -12.117 8.219 175 HB2 GLU 18 2HB GLU 18 10.107 -14.410 7.166 176 HB3 GLU 18 3HB GLU 18 10.347 -13.406 5.743 177 HG2 GLU 18 2HG GLU 18 12.731 -13.064 6.824 178 HG3 GLU 18 3HG GLU 18 12.342 -14.609 7.578 179 H GLY 19 H GLY 19 10.997 -9.904 7.985 180 HA2 GLY 19 2HA GLY 19 10.922 -7.949 6.778 181 HA3 GLY 19 3HA GLY 19 10.783 -8.932 5.328 182 H LYS 20 H LYS 20 9.353 -6.478 6.692 183 HA LYS 20 HA LYS 20 6.595 -7.398 6.572 184 HB2 LYS 20 2HB LYS 20 7.985 -4.945 7.516 185 HB3 LYS 20 3HB LYS 20 6.326 -4.765 6.962 186 HG2 LYS 20 2HG LYS 20 6.312 -5.095 9.327 187 HG3 LYS 20 3HG LYS 20 5.654 -6.541 8.557 188 HD2 LYS 20 2HD LYS 20 7.145 -7.228 10.306 189 HD3 LYS 20 3HD LYS 20 7.906 -7.590 8.755 190 HE2 LYS 20 2HE LYS 20 9.502 -6.616 10.330 191 HE3 LYS 20 3HE LYS 20 9.256 -5.570 8.933 192 HZ1 LYS 20 3HZ LYS 20 9.272 -4.493 11.220 193 HZ2 LYS 20 1HZ LYS 20 7.741 -5.179 11.440 194 HZ3 LYS 20 2HZ LYS 20 8.001 -4.077 10.184 195 H PHE 21 H PHE 21 6.278 -7.875 4.403 196 HA PHE 21 HA PHE 21 5.375 -5.813 2.754 197 HB2 PHE 21 2HB PHE 21 8.112 -5.831 2.719 198 HB3 PHE 21 3HB PHE 21 7.732 -6.865 1.345 199 HD1 PHE 21 HD2 PHE 21 5.350 -5.674 0.225 200 HD2 PHE 21 HD1 PHE 21 8.787 -3.795 1.889 201 HE1 PHE 21 HE2 PHE 21 4.925 -3.682 -1.154 202 HE2 PHE 21 HE1 PHE 21 8.367 -1.799 0.513 203 HZ PHE 21 HZ PHE 21 6.434 -1.741 -1.012 204 H TRP 22 H TRP 22 3.712 -6.956 2.001 205 HA TRP 22 HA TRP 22 4.293 -9.408 0.501 206 HB2 TRP 22 2HB TRP 22 2.354 -9.085 2.764 207 HB3 TRP 22 3HB TRP 22 1.996 -10.221 1.465 208 HD1 TRP 22 HD1 TRP 22 4.612 -9.596 4.227 209 HE1 TRP 22 HE1 TRP 22 5.760 -11.835 4.770 210 HE3 TRP 22 HE3 TRP 22 2.492 -12.498 0.591 211 HZ2 TRP 22 HZ2 TRP 22 5.765 -14.481 3.787 212 HZ3 TRP 22 HZ3 TRP 22 3.122 -14.873 0.461 213 HH2 TRP 22 HH2 TRP 22 4.726 -15.842 2.026 214 H CYS 23 H CYS 23 4.094 -7.914 -1.300 215 HA CYS 23 HA CYS 23 1.586 -8.034 -2.543 216 HB2 CYS 23 2HB CYS 23 1.344 -6.146 -0.727 217 HB3 CYS 23 3HB CYS 23 2.218 -5.178 -1.909 218 HA PRO 24 HA PRO 24 4.989 -7.478 -5.485 219 HB2 PRO 24 2HB PRO 24 3.767 -8.861 -7.476 220 HB3 PRO 24 3HB PRO 24 4.646 -9.647 -6.159 221 HG2 PRO 24 2HG PRO 24 1.700 -9.220 -6.482 222 HG3 PRO 24 3HG PRO 24 2.567 -10.662 -5.922 223 HD2 PRO 24 2HD PRO 24 1.371 -8.930 -4.219 224 HD3 PRO 24 3HD PRO 24 2.843 -9.825 -3.793 Start of MODEL 10 1 H1 THR 1 H THR 1 -0.125 0.156 -0.452 2 HA THR 1 HA THR 1 1.134 0.812 -3.034 3 HB THR 1 HB THR 1 2.638 2.305 -1.798 4 HG1 THR 1 HG1 THR 1 2.812 1.777 0.257 5 HG21 THR 1 3HG2 THR 1 0.047 2.802 -2.459 6 HG22 THR 1 1HG2 THR 1 1.176 4.021 -1.869 7 HG23 THR 1 2HG2 THR 1 0.055 3.243 -0.752 8 H CYS 2 H CYS 2 2.549 -0.652 -3.701 9 HA CYS 2 HA CYS 2 4.604 -1.634 -1.941 10 HB2 CYS 2 2HB CYS 2 4.125 -4.015 -2.280 11 HB3 CYS 2 3HB CYS 2 2.800 -3.217 -1.438 12 H HIS 3 H HIS 3 6.393 -2.410 -3.041 13 HA HIS 3 HA HIS 3 6.220 -2.565 -5.965 14 HB2 HIS 3 2HB HIS 3 7.028 -0.273 -5.084 15 HB3 HIS 3 3HB HIS 3 8.506 -1.122 -4.643 16 HD1 HIS 3 HD1 HIS 3 6.417 -1.300 -7.823 17 HD2 HIS 3 HD2 HIS 3 10.290 -0.479 -6.565 18 HE1 HIS 3 HE1 HIS 3 7.740 -0.919 -9.927 19 H ILE 4 H ILE 4 6.470 -4.798 -5.849 20 HA ILE 4 HA ILE 4 9.206 -5.669 -5.290 21 HB ILE 4 HB ILE 4 6.767 -7.105 -4.235 22 HG12 ILE 4 2HG1 ILE 4 7.421 -5.108 -2.924 23 HG13 ILE 4 3HG1 ILE 4 7.657 -6.603 -2.026 24 HG21 ILE 4 1HG2 ILE 4 9.635 -7.875 -4.490 25 HG22 ILE 4 2HG2 ILE 4 8.707 -8.454 -3.107 26 HG23 ILE 4 3HG2 ILE 4 8.181 -8.841 -4.745 27 HD11 ILE 4 3HD1 ILE 4 10.050 -5.932 -3.446 28 HD12 ILE 4 1HD1 ILE 4 9.510 -4.562 -2.476 29 HD13 ILE 4 2HD1 ILE 4 9.791 -6.127 -1.713 30 H ARG 5 H ARG 5 9.935 -7.327 -6.581 31 HA ARG 5 HA ARG 5 8.272 -7.917 -8.903 32 HB2 ARG 5 2HB ARG 5 10.384 -8.847 -9.853 33 HB3 ARG 5 3HB ARG 5 10.495 -7.151 -9.402 34 HG2 ARG 5 2HG ARG 5 11.992 -7.542 -7.750 35 HG3 ARG 5 3HG ARG 5 11.321 -9.129 -7.367 36 HD2 ARG 5 2HD ARG 5 13.529 -9.380 -8.319 37 HD3 ARG 5 3HD ARG 5 12.321 -10.023 -9.431 38 HE ARG 5 HE ARG 5 12.776 -7.380 -10.152 39 HH11 ARG 5 1HH1 ARG 5 14.552 -10.370 -9.989 40 HH12 ARG 5 2HH1 ARG 5 15.617 -9.960 -11.293 41 HH21 ARG 5 1HH2 ARG 5 14.171 -6.829 -11.870 42 HH22 ARG 5 2HH2 ARG 5 15.399 -7.945 -12.362 43 H ARG 6 H ARG 6 9.570 -9.444 -6.079 44 HA ARG 6 HA ARG 6 9.105 -12.131 -7.048 45 HB2 ARG 6 2HB ARG 6 10.292 -10.897 -4.634 46 HB3 ARG 6 3HB ARG 6 9.515 -12.456 -4.397 47 HG2 ARG 6 2HG ARG 6 11.789 -12.900 -4.820 48 HG3 ARG 6 3HG ARG 6 10.922 -13.319 -6.298 49 HD2 ARG 6 2HD ARG 6 12.948 -12.104 -6.836 50 HD3 ARG 6 3HD ARG 6 11.533 -11.139 -7.254 51 HE ARG 6 HE ARG 6 12.142 -9.601 -5.660 52 HH11 ARG 6 1HH1 ARG 6 14.010 -12.510 -5.251 53 HH12 ARG 6 2HH1 ARG 6 15.092 -11.808 -4.094 54 HH21 ARG 6 1HH2 ARG 6 13.559 -8.665 -4.138 55 HH22 ARG 6 2HH2 ARG 6 14.834 -9.621 -3.462 56 H LYS 7 H LYS 7 7.049 -12.744 -7.270 57 HA LYS 7 HA LYS 7 5.085 -11.916 -5.253 58 HB2 LYS 7 2HB LYS 7 3.386 -12.611 -6.882 59 HB3 LYS 7 3HB LYS 7 4.491 -11.428 -7.572 60 HG2 LYS 7 2HG LYS 7 4.361 -12.924 -9.288 61 HG3 LYS 7 3HG LYS 7 5.753 -13.569 -8.414 62 HD2 LYS 7 2HD LYS 7 4.630 -15.415 -7.718 63 HD3 LYS 7 3HD LYS 7 3.091 -14.559 -7.583 64 HE2 LYS 7 2HE LYS 7 4.351 -15.190 -10.238 65 HE3 LYS 7 3HE LYS 7 3.291 -16.329 -9.409 66 HZ1 LYS 7 3HZ LYS 7 1.577 -15.253 -10.273 67 HZ2 LYS 7 1HZ LYS 7 2.592 -14.098 -10.979 68 HZ3 LYS 7 2HZ LYS 7 2.007 -13.864 -9.409 69 HA PRO 8 HA PRO 8 4.792 -15.918 -3.473 70 HB2 PRO 8 2HB PRO 8 2.159 -16.009 -2.817 71 HB3 PRO 8 3HB PRO 8 3.330 -15.005 -1.954 72 HG2 PRO 8 2HG PRO 8 1.385 -14.232 -4.094 73 HG3 PRO 8 3HG PRO 8 1.795 -13.379 -2.595 74 HD2 PRO 8 2HD PRO 8 2.815 -12.669 -5.001 75 HD3 PRO 8 3HD PRO 8 3.721 -12.479 -3.486 76 H LYS 9 H LYS 9 4.680 -17.908 -4.300 77 HA LYS 9 HA LYS 9 2.606 -18.499 -6.301 78 HB2 LYS 9 2HB LYS 9 4.264 -19.856 -7.544 79 HB3 LYS 9 3HB LYS 9 4.668 -18.144 -7.517 80 HG2 LYS 9 2HG LYS 9 6.708 -18.880 -6.964 81 HG3 LYS 9 3HG LYS 9 6.023 -19.017 -5.344 82 HD2 LYS 9 2HD LYS 9 5.287 -21.390 -6.222 83 HD3 LYS 9 3HD LYS 9 6.627 -21.142 -7.344 84 HE2 LYS 9 2HE LYS 9 6.830 -20.932 -4.342 85 HE3 LYS 9 3HE LYS 9 7.278 -22.354 -5.282 86 HZ1 LYS 9 3HZ LYS 9 8.618 -19.754 -5.095 87 HZ2 LYS 9 1HZ LYS 9 8.740 -20.618 -6.545 88 HZ3 LYS 9 2HZ LYS 9 9.282 -21.310 -5.100 89 H PHE 10 H PHE 10 4.879 -19.754 -3.910 90 HA PHE 10 HA PHE 10 2.972 -21.717 -3.046 91 HB2 PHE 10 2HB PHE 10 4.256 -22.687 -5.094 92 HB3 PHE 10 3HB PHE 10 5.595 -22.855 -3.963 93 HD1 PHE 10 HD2 PHE 10 4.980 -24.053 -1.702 94 HD2 PHE 10 HD1 PHE 10 2.782 -24.431 -5.327 95 HE1 PHE 10 HE2 PHE 10 4.039 -26.182 -0.906 96 HE2 PHE 10 HE1 PHE 10 1.837 -26.560 -4.536 97 HZ PHE 10 HZ PHE 10 2.466 -27.439 -2.324 98 H ARG 11 H ARG 11 3.088 -21.375 -0.929 99 HA ARG 11 HA ARG 11 5.651 -21.690 0.414 100 HB2 ARG 11 2HB ARG 11 5.266 -19.651 1.796 101 HB3 ARG 11 3HB ARG 11 5.596 -19.305 0.104 102 HG2 ARG 11 2HG ARG 11 2.755 -19.567 0.864 103 HG3 ARG 11 3HG ARG 11 3.618 -18.155 1.478 104 HD2 ARG 11 2HD ARG 11 4.264 -17.533 -0.771 105 HD3 ARG 11 3HD ARG 11 3.515 -18.993 -1.417 106 HE ARG 11 HE ARG 11 2.188 -16.562 -0.620 107 HH11 ARG 11 1HH1 ARG 11 1.844 -19.973 -1.226 108 HH12 ARG 11 2HH1 ARG 11 0.141 -19.879 -1.532 109 HH21 ARG 11 1HH2 ARG 11 -0.053 -16.426 -1.020 110 HH22 ARG 11 2HH2 ARG 11 -0.937 -17.861 -1.415 111 H LYS 12 H LYS 12 5.477 -22.658 2.370 112 HA LYS 12 HA LYS 12 3.153 -24.024 3.069 113 HB2 LYS 12 2HB LYS 12 5.625 -23.323 4.643 114 HB3 LYS 12 3HB LYS 12 4.326 -24.289 5.331 115 HG2 LYS 12 2HG LYS 12 4.616 -25.911 3.482 116 HG3 LYS 12 3HG LYS 12 5.999 -24.969 2.922 117 HD2 LYS 12 2HD LYS 12 7.194 -25.396 4.954 118 HD3 LYS 12 3HD LYS 12 5.776 -26.147 5.689 119 HE2 LYS 12 2HE LYS 12 7.127 -27.944 5.025 120 HE3 LYS 12 3HE LYS 12 5.887 -27.830 3.776 121 HZ1 LYS 12 3HZ LYS 12 8.554 -26.566 3.511 122 HZ2 LYS 12 1HZ LYS 12 7.399 -26.816 2.300 123 HZ3 LYS 12 2HZ LYS 12 8.224 -28.133 2.966 124 H PHE 13 H PHE 13 4.625 -21.587 5.201 125 HA PHE 13 HA PHE 13 2.027 -20.972 6.313 126 HB2 PHE 13 2HB PHE 13 4.854 -20.262 6.978 127 HB3 PHE 13 3HB PHE 13 3.556 -19.251 7.607 128 HD1 PHE 13 HD2 PHE 13 4.540 -22.837 7.358 129 HD2 PHE 13 HD1 PHE 13 2.604 -19.800 9.626 130 HE1 PHE 13 HE2 PHE 13 4.193 -24.436 9.196 131 HE2 PHE 13 HE1 PHE 13 2.254 -21.393 11.468 132 HZ PHE 13 HZ PHE 13 3.048 -23.715 11.254 133 H LYS 14 H LYS 14 1.837 -18.440 6.845 134 HA LYS 14 HA LYS 14 2.385 -16.894 4.417 135 HB2 LYS 14 2HB LYS 14 -0.316 -17.394 5.646 136 HB3 LYS 14 3HB LYS 14 -0.004 -15.957 4.680 137 HG2 LYS 14 2HG LYS 14 0.603 -18.684 3.608 138 HG3 LYS 14 3HG LYS 14 -1.033 -18.022 3.545 139 HD2 LYS 14 2HD LYS 14 1.276 -16.404 2.546 140 HD3 LYS 14 3HD LYS 14 0.585 -17.673 1.533 141 HE2 LYS 14 2HE LYS 14 -0.715 -15.934 0.855 142 HE3 LYS 14 3HE LYS 14 -1.675 -16.469 2.233 143 HZ1 LYS 14 3HZ LYS 14 -1.215 -14.613 3.373 144 HZ2 LYS 14 1HZ LYS 14 -0.825 -13.956 1.864 145 HZ3 LYS 14 2HZ LYS 14 0.398 -14.556 2.867 146 H LEU 15 H LEU 15 2.676 -14.711 4.740 147 HA LEU 15 HA LEU 15 3.352 -12.864 5.889 148 HB2 LEU 15 2HB LEU 15 0.848 -13.710 7.284 149 HB3 LEU 15 3HB LEU 15 1.773 -12.339 7.894 150 HG LEU 15 HG LEU 15 -0.073 -11.599 6.494 151 HD11 LEU 15 1HD1 LEU 15 1.770 -10.760 4.567 152 HD12 LEU 15 2HD1 LEU 15 2.698 -10.984 6.050 153 HD13 LEU 15 3HD1 LEU 15 1.296 -9.915 6.040 154 HD21 LEU 15 3HD2 LEU 15 1.265 -13.137 4.271 155 HD22 LEU 15 1HD2 LEU 15 -0.173 -12.125 4.133 156 HD23 LEU 15 2HD2 LEU 15 -0.228 -13.611 5.082 157 H TYR 16 H TYR 16 4.589 -15.380 6.629 158 HA TYR 16 HA TYR 16 4.871 -15.750 9.373 159 HB2 TYR 16 2HB TYR 16 7.199 -16.641 8.703 160 HB3 TYR 16 3HB TYR 16 5.783 -17.437 8.027 161 HD1 TYR 16 HD1 TYR 16 7.882 -14.465 7.141 162 HD2 TYR 16 HD2 TYR 16 6.027 -18.062 5.829 163 HE1 TYR 16 HE1 TYR 16 8.759 -14.083 4.875 164 HE2 TYR 16 HE2 TYR 16 6.900 -17.691 3.559 165 HH TYR 16 HH TYR 16 7.939 -14.886 2.426 166 H HIS 17 H HIS 17 7.299 -15.466 10.302 167 HA HIS 17 HA HIS 17 7.631 -12.580 10.491 168 HB2 HIS 17 2HB HIS 17 8.384 -14.922 12.157 169 HB3 HIS 17 3HB HIS 17 9.435 -13.511 12.245 170 HD1 HIS 17 HD1 HIS 17 5.982 -14.675 13.093 171 HD2 HIS 17 HD2 HIS 17 8.342 -11.284 13.530 172 HE1 HIS 17 HE1 HIS 17 4.746 -13.200 14.711 173 H GLU 18 H GLU 18 8.460 -12.656 8.192 174 HA GLU 18 HA GLU 18 11.360 -12.629 8.284 175 HB2 GLU 18 2HB GLU 18 10.076 -14.881 7.273 176 HB3 GLU 18 3HB GLU 18 10.497 -13.951 5.842 177 HG2 GLU 18 2HG GLU 18 12.270 -15.475 6.301 178 HG3 GLU 18 3HG GLU 18 12.834 -13.844 6.660 179 H GLY 19 H GLY 19 11.336 -10.440 7.917 180 HA2 GLY 19 2HA GLY 19 11.305 -8.513 6.671 181 HA3 GLY 19 3HA GLY 19 11.218 -9.549 5.253 182 H LYS 20 H LYS 20 9.532 -7.403 7.292 183 HA LYS 20 HA LYS 20 6.871 -8.157 6.726 184 HB2 LYS 20 2HB LYS 20 8.021 -6.340 8.382 185 HB3 LYS 20 3HB LYS 20 7.413 -5.280 7.117 186 HG2 LYS 20 2HG LYS 20 5.243 -5.669 7.639 187 HG3 LYS 20 3HG LYS 20 5.550 -7.325 8.168 188 HD2 LYS 20 2HD LYS 20 5.100 -6.308 10.179 189 HD3 LYS 20 3HD LYS 20 6.855 -6.129 10.107 190 HE2 LYS 20 2HE LYS 20 4.976 -4.016 9.087 191 HE3 LYS 20 3HE LYS 20 5.504 -4.074 10.768 192 HZ1 LYS 20 3HZ LYS 20 7.006 -2.648 9.754 193 HZ2 LYS 20 1HZ LYS 20 7.119 -3.582 8.348 194 HZ3 LYS 20 2HZ LYS 20 7.844 -4.118 9.778 195 H PHE 21 H PHE 21 6.642 -8.571 4.532 196 HA PHE 21 HA PHE 21 5.893 -6.382 2.915 197 HB2 PHE 21 2HB PHE 21 8.599 -6.660 2.900 198 HB3 PHE 21 3HB PHE 21 8.154 -7.704 1.554 199 HD1 PHE 21 HD2 PHE 21 5.961 -6.388 0.279 200 HD2 PHE 21 HD1 PHE 21 9.420 -4.683 2.079 201 HE1 PHE 21 HE2 PHE 21 5.743 -4.417 -1.177 202 HE2 PHE 21 HE1 PHE 21 9.207 -2.708 0.627 203 HZ PHE 21 HZ PHE 21 7.368 -2.574 -1.005 204 H TRP 22 H TRP 22 4.091 -7.383 2.250 205 HA TRP 22 HA TRP 22 4.413 -9.848 0.688 206 HB2 TRP 22 2HB TRP 22 2.539 -9.362 2.977 207 HB3 TRP 22 3HB TRP 22 2.062 -10.446 1.673 208 HD1 TRP 22 HD1 TRP 22 4.784 -10.090 4.387 209 HE1 TRP 22 HE1 TRP 22 5.706 -12.435 4.911 210 HE3 TRP 22 HE3 TRP 22 2.286 -12.762 0.814 211 HZ2 TRP 22 HZ2 TRP 22 5.413 -15.069 3.939 212 HZ3 TRP 22 HZ3 TRP 22 2.664 -15.189 0.678 213 HH2 TRP 22 HH2 TRP 22 4.196 -16.317 2.208 214 H CYS 23 H CYS 23 4.340 -8.319 -1.094 215 HA CYS 23 HA CYS 23 1.824 -8.178 -2.311 216 HB2 CYS 23 2HB CYS 23 1.360 -6.421 -0.667 217 HB3 CYS 23 3HB CYS 23 2.794 -5.542 -1.187 218 HA PRO 24 HA PRO 24 5.242 -7.878 -5.272 219 HB2 PRO 24 2HB PRO 24 3.889 -9.115 -7.274 220 HB3 PRO 24 3HB PRO 24 4.704 -9.997 -5.977 221 HG2 PRO 24 2HG PRO 24 1.805 -9.306 -6.267 222 HG3 PRO 24 3HG PRO 24 2.545 -10.829 -5.739 223 HD2 PRO 24 2HD PRO 24 1.519 -9.026 -3.998 224 HD3 PRO 24 3HD PRO 24 2.910 -10.054 -3.599 Start of MODEL 11 1 H1 THR 1 H THR 1 1.381 2.613 -0.313 2 HA THR 1 HA THR 1 0.983 1.290 -2.903 3 HB THR 1 HB THR 1 2.054 3.479 -3.030 4 HG1 THR 1 HG1 THR 1 3.600 2.809 -4.411 5 HG21 THR 1 3HG2 THR 1 4.620 2.811 -1.912 6 HG22 THR 1 1HG2 THR 1 3.363 2.659 -0.685 7 HG23 THR 1 2HG2 THR 1 3.569 4.181 -1.552 8 H CYS 2 H CYS 2 2.069 -0.545 -3.471 9 HA CYS 2 HA CYS 2 4.020 -1.664 -1.599 10 HB2 CYS 2 2HB CYS 2 2.909 -3.850 -1.612 11 HB3 CYS 2 3HB CYS 2 1.854 -2.612 -0.937 12 H HIS 3 H HIS 3 5.651 -2.739 -2.570 13 HA HIS 3 HA HIS 3 5.352 -3.620 -5.338 14 HB2 HIS 3 2HB HIS 3 6.285 -1.216 -5.185 15 HB3 HIS 3 3HB HIS 3 7.750 -1.974 -4.569 16 HD1 HIS 3 HD1 HIS 3 5.485 -2.363 -7.608 17 HD2 HIS 3 HD2 HIS 3 9.492 -2.588 -6.536 18 HE1 HIS 3 HE1 HIS 3 6.728 -2.816 -9.746 19 H ILE 4 H ILE 4 7.283 -4.894 -6.063 20 HA ILE 4 HA ILE 4 9.186 -5.883 -4.241 21 HB ILE 4 HB ILE 4 7.120 -6.908 -3.249 22 HG12 ILE 4 2HG1 ILE 4 8.116 -9.176 -3.046 23 HG13 ILE 4 3HG1 ILE 4 9.215 -8.786 -4.365 24 HG21 ILE 4 1HG2 ILE 4 6.168 -7.310 -5.626 25 HG22 ILE 4 2HG2 ILE 4 7.104 -8.803 -5.561 26 HG23 ILE 4 3HG2 ILE 4 5.851 -8.494 -4.359 27 HD11 ILE 4 3HD1 ILE 4 10.133 -8.594 -2.023 28 HD12 ILE 4 1HD1 ILE 4 10.360 -7.195 -3.072 29 HD13 ILE 4 2HD1 ILE 4 9.100 -7.177 -1.837 30 H ARG 5 H ARG 5 10.651 -7.292 -5.207 31 HA ARG 5 HA ARG 5 11.030 -7.116 -7.930 32 HB2 ARG 5 2HB ARG 5 12.562 -9.098 -7.649 33 HB3 ARG 5 3HB ARG 5 12.860 -7.759 -6.549 34 HG2 ARG 5 2HG ARG 5 11.598 -8.963 -4.800 35 HG3 ARG 5 3HG ARG 5 11.425 -10.326 -5.908 36 HD2 ARG 5 2HD ARG 5 14.012 -9.178 -4.866 37 HD3 ARG 5 3HD ARG 5 13.272 -10.701 -4.374 38 HE ARG 5 HE ARG 5 13.754 -10.583 -7.187 39 HH11 ARG 5 1HH1 ARG 5 15.236 -11.198 -4.098 40 HH12 ARG 5 2HH1 ARG 5 16.473 -12.222 -4.749 41 HH21 ARG 5 1HH2 ARG 5 15.378 -11.929 -8.056 42 HH22 ARG 5 2HH2 ARG 5 16.554 -12.636 -7.001 43 H ARG 6 H ARG 6 9.380 -9.651 -6.099 44 HA ARG 6 HA ARG 6 7.923 -10.430 -8.474 45 HB2 ARG 6 2HB ARG 6 8.525 -12.796 -8.334 46 HB3 ARG 6 3HB ARG 6 9.942 -11.806 -8.651 47 HG2 ARG 6 2HG ARG 6 10.799 -12.125 -6.515 48 HG3 ARG 6 3HG ARG 6 9.238 -12.623 -5.861 49 HD2 ARG 6 2HD ARG 6 9.374 -14.651 -7.326 50 HD3 ARG 6 3HD ARG 6 11.022 -14.172 -7.730 51 HE ARG 6 HE ARG 6 10.750 -14.278 -4.936 52 HH11 ARG 6 1HH1 ARG 6 10.849 -16.380 -7.709 53 HH12 ARG 6 2HH1 ARG 6 11.495 -17.726 -6.829 54 HH21 ARG 6 1HH2 ARG 6 11.601 -16.043 -3.766 55 HH22 ARG 6 2HH2 ARG 6 11.921 -17.533 -4.587 56 H LYS 7 H LYS 7 5.971 -11.394 -8.021 57 HA LYS 7 HA LYS 7 4.834 -10.934 -5.497 58 HB2 LYS 7 2HB LYS 7 2.852 -11.788 -6.377 59 HB3 LYS 7 3HB LYS 7 3.698 -11.206 -7.805 60 HG2 LYS 7 2HG LYS 7 3.615 -14.066 -6.865 61 HG3 LYS 7 3HG LYS 7 2.659 -13.383 -8.182 62 HD2 LYS 7 2HD LYS 7 4.898 -12.709 -9.218 63 HD3 LYS 7 3HD LYS 7 5.631 -13.806 -8.046 64 HE2 LYS 7 2HE LYS 7 4.036 -15.574 -8.928 65 HE3 LYS 7 3HE LYS 7 3.688 -14.458 -10.248 66 HZ1 LYS 7 3HZ LYS 7 5.950 -16.156 -9.862 67 HZ2 LYS 7 1HZ LYS 7 6.416 -14.553 -10.134 68 HZ3 LYS 7 2HZ LYS 7 5.436 -15.350 -11.258 69 HA PRO 8 HA PRO 8 5.826 -14.480 -3.107 70 HB2 PRO 8 2HB PRO 8 3.562 -14.779 -1.639 71 HB3 PRO 8 3HB PRO 8 4.718 -13.471 -1.365 72 HG2 PRO 8 2HG PRO 8 2.128 -13.427 -2.865 73 HG3 PRO 8 3HG PRO 8 2.784 -12.232 -1.731 74 HD2 PRO 8 2HD PRO 8 2.911 -11.913 -4.416 75 HD3 PRO 8 3HD PRO 8 4.163 -11.293 -3.321 76 H LYS 9 H LYS 9 5.861 -16.596 -3.529 77 HA LYS 9 HA LYS 9 3.466 -18.054 -4.197 78 HB2 LYS 9 2HB LYS 9 5.362 -17.195 -6.265 79 HB3 LYS 9 3HB LYS 9 5.042 -18.924 -6.273 80 HG2 LYS 9 2HG LYS 9 2.909 -16.802 -6.350 81 HG3 LYS 9 3HG LYS 9 3.564 -17.619 -7.771 82 HD2 LYS 9 2HD LYS 9 2.248 -19.026 -5.450 83 HD3 LYS 9 3HD LYS 9 1.423 -18.587 -6.948 84 HE2 LYS 9 2HE LYS 9 3.438 -19.889 -8.038 85 HE3 LYS 9 3HE LYS 9 3.505 -20.660 -6.454 86 HZ1 LYS 9 3HZ LYS 9 1.995 -22.028 -7.358 87 HZ2 LYS 9 1HZ LYS 9 1.535 -20.928 -8.558 88 HZ3 LYS 9 2HZ LYS 9 0.892 -20.797 -6.999 89 H PHE 10 H PHE 10 3.781 -20.352 -4.195 90 HA PHE 10 HA PHE 10 4.588 -22.245 -3.216 91 HB2 PHE 10 2HB PHE 10 6.293 -21.572 -5.173 92 HB3 PHE 10 3HB PHE 10 7.399 -21.482 -3.806 93 HD1 PHE 10 HD1 PHE 10 6.479 -23.655 -2.096 94 HD2 PHE 10 HD2 PHE 10 6.863 -23.485 -6.332 95 HE1 PHE 10 HE1 PHE 10 6.765 -26.098 -2.165 96 HE2 PHE 10 HE2 PHE 10 7.147 -25.928 -6.408 97 HZ PHE 10 HZ PHE 10 7.098 -27.238 -4.323 98 H ARG 11 H ARG 11 4.082 -20.409 -1.326 99 HA ARG 11 HA ARG 11 6.422 -20.465 0.460 100 HB2 ARG 11 2HB ARG 11 5.192 -18.666 1.725 101 HB3 ARG 11 3HB ARG 11 5.731 -18.211 0.114 102 HG2 ARG 11 2HG ARG 11 3.044 -19.315 0.123 103 HG3 ARG 11 3HG ARG 11 3.202 -17.880 1.138 104 HD2 ARG 11 2HD ARG 11 4.229 -16.688 -0.762 105 HD3 ARG 11 3HD ARG 11 3.982 -18.115 -1.766 106 HE ARG 11 HE ARG 11 1.998 -16.187 -0.965 107 HH11 ARG 11 1HH1 ARG 11 2.573 -19.431 -2.092 108 HH12 ARG 11 2HH1 ARG 11 0.987 -19.619 -2.763 109 HH21 ARG 11 1HH2 ARG 11 -0.094 -16.423 -1.844 110 HH22 ARG 11 2HH2 ARG 11 -0.529 -17.907 -2.621 111 H LYS 12 H LYS 12 6.341 -22.110 1.835 112 HA LYS 12 HA LYS 12 4.169 -23.701 2.438 113 HB2 LYS 12 2HB LYS 12 5.456 -24.422 4.436 114 HB3 LYS 12 3HB LYS 12 6.416 -24.406 2.963 115 HG2 LYS 12 2HG LYS 12 7.026 -21.980 3.810 116 HG3 LYS 12 3HG LYS 12 6.600 -22.684 5.372 117 HD2 LYS 12 2HD LYS 12 8.433 -24.173 3.545 118 HD3 LYS 12 3HD LYS 12 9.061 -22.812 4.479 119 HE2 LYS 12 2HE LYS 12 7.478 -24.990 5.797 120 HE3 LYS 12 3HE LYS 12 9.201 -25.189 5.481 121 HZ1 LYS 12 3HZ LYS 12 8.629 -24.297 7.725 122 HZ2 LYS 12 1HZ LYS 12 8.080 -22.885 6.972 123 HZ3 LYS 12 2HZ LYS 12 9.705 -23.336 6.842 124 H PHE 13 H PHE 13 5.287 -20.778 4.072 125 HA PHE 13 HA PHE 13 2.802 -20.804 5.655 126 HB2 PHE 13 2HB PHE 13 5.592 -19.985 6.382 127 HB3 PHE 13 3HB PHE 13 4.223 -19.226 7.189 128 HD1 PHE 13 HD1 PHE 13 2.342 -21.220 7.744 129 HD2 PHE 13 HD2 PHE 13 6.582 -21.578 7.685 130 HE1 PHE 13 HE1 PHE 13 2.198 -23.125 9.295 131 HE2 PHE 13 HE2 PHE 13 6.446 -23.484 9.235 132 HZ PHE 13 HZ PHE 13 4.252 -24.260 10.042 133 H LYS 14 H LYS 14 1.581 -18.962 5.736 134 HA LYS 14 HA LYS 14 2.230 -16.926 3.743 135 HB2 LYS 14 2HB LYS 14 -0.293 -17.730 5.163 136 HB3 LYS 14 3HB LYS 14 -0.183 -16.184 4.332 137 HG2 LYS 14 2HG LYS 14 0.420 -18.795 2.977 138 HG3 LYS 14 3HG LYS 14 -1.199 -18.095 3.034 139 HD2 LYS 14 2HD LYS 14 1.140 -16.497 2.050 140 HD3 LYS 14 3HD LYS 14 0.289 -17.614 0.980 141 HE2 LYS 14 2HE LYS 14 -1.133 -15.491 2.565 142 HE3 LYS 14 3HE LYS 14 -0.476 -15.188 0.958 143 HZ1 LYS 14 3HZ LYS 14 -1.894 -17.482 0.643 144 HZ2 LYS 14 1HZ LYS 14 -2.426 -15.931 0.225 145 HZ3 LYS 14 2HZ LYS 14 -2.854 -16.597 1.719 146 H LEU 15 H LEU 15 2.610 -14.821 4.213 147 HA LEU 15 HA LEU 15 3.305 -13.034 5.442 148 HB2 LEU 15 2HB LEU 15 0.816 -13.956 6.803 149 HB3 LEU 15 3HB LEU 15 1.761 -12.656 7.528 150 HG LEU 15 HG LEU 15 -0.134 -11.853 6.158 151 HD11 LEU 15 1HD1 LEU 15 1.382 -10.171 6.304 152 HD12 LEU 15 2HD1 LEU 15 1.475 -10.456 4.567 153 HD13 LEU 15 3HD1 LEU 15 2.695 -11.143 5.639 154 HD21 LEU 15 3HD2 LEU 15 1.421 -13.002 3.843 155 HD22 LEU 15 1HD2 LEU 15 -0.059 -12.048 3.745 156 HD23 LEU 15 2HD2 LEU 15 -0.091 -13.651 4.479 157 H TYR 16 H TYR 16 4.646 -15.495 5.988 158 HA TYR 16 HA TYR 16 4.967 -16.110 8.678 159 HB2 TYR 16 2HB TYR 16 7.346 -16.780 7.930 160 HB3 TYR 16 3HB TYR 16 5.979 -17.595 7.177 161 HD1 TYR 16 HD2 TYR 16 7.881 -14.423 6.588 162 HD2 TYR 16 HD1 TYR 16 6.254 -17.987 4.930 163 HE1 TYR 16 HE2 TYR 16 8.718 -13.766 4.371 164 HE2 TYR 16 HE1 TYR 16 7.087 -17.341 2.708 165 HH TYR 16 HH TYR 16 7.680 -15.009 1.571 166 H HIS 17 H HIS 17 7.325 -15.763 9.692 167 HA HIS 17 HA HIS 17 7.488 -12.902 10.164 168 HB2 HIS 17 2HB HIS 17 8.410 -15.353 11.567 169 HB3 HIS 17 3HB HIS 17 9.365 -13.893 11.805 170 HD1 HIS 17 HD1 HIS 17 7.843 -11.740 12.611 171 HD2 HIS 17 HD2 HIS 17 6.288 -15.541 13.235 172 HE1 HIS 17 HE1 HIS 17 6.056 -11.456 14.357 173 H GLU 18 H GLU 18 8.302 -12.685 7.863 174 HA GLU 18 HA GLU 18 11.191 -12.453 7.959 175 HB2 GLU 18 2HB GLU 18 10.073 -14.686 6.729 176 HB3 GLU 18 3HB GLU 18 10.417 -13.590 5.398 177 HG2 GLU 18 2HG GLU 18 12.299 -15.020 5.714 178 HG3 GLU 18 3HG GLU 18 12.743 -13.392 6.224 179 H GLY 19 H GLY 19 10.971 -10.242 7.824 180 HA2 GLY 19 2HA GLY 19 10.863 -8.227 6.723 181 HA3 GLY 19 3HA GLY 19 10.710 -9.134 5.226 182 H LYS 20 H LYS 20 9.240 -6.864 7.006 183 HA LYS 20 HA LYS 20 6.508 -7.766 6.794 184 HB2 LYS 20 2HB LYS 20 7.899 -5.350 7.828 185 HB3 LYS 20 3HB LYS 20 6.225 -5.158 7.324 186 HG2 LYS 20 2HG LYS 20 5.616 -7.030 8.841 187 HG3 LYS 20 3HG LYS 20 7.284 -7.042 9.418 188 HD2 LYS 20 2HD LYS 20 6.992 -4.631 10.036 189 HD3 LYS 20 3HD LYS 20 5.279 -4.801 9.645 190 HE2 LYS 20 2HE LYS 20 5.487 -5.090 11.993 191 HE3 LYS 20 3HE LYS 20 5.193 -6.686 11.304 192 HZ1 LYS 20 3HZ LYS 20 7.019 -7.363 12.331 193 HZ2 LYS 20 1HZ LYS 20 7.391 -5.794 12.844 194 HZ3 LYS 20 2HZ LYS 20 7.938 -6.344 11.341 195 H PHE 21 H PHE 21 6.139 -8.135 4.612 196 HA PHE 21 HA PHE 21 5.197 -5.975 3.097 197 HB2 PHE 21 2HB PHE 21 7.913 -6.014 2.959 198 HB3 PHE 21 3HB PHE 21 7.501 -7.042 1.591 199 HD1 PHE 21 HD2 PHE 21 5.290 -5.954 0.301 200 HD2 PHE 21 HD1 PHE 21 8.382 -3.865 2.348 201 HE1 PHE 21 HE2 PHE 21 4.839 -3.957 -1.062 202 HE2 PHE 21 HE1 PHE 21 7.935 -1.864 0.988 203 HZ PHE 21 HZ PHE 21 6.162 -1.908 -0.721 204 H TRP 22 H TRP 22 3.476 -7.051 2.373 205 HA TRP 22 HA TRP 22 3.932 -9.419 0.710 206 HB2 TRP 22 2HB TRP 22 2.210 -9.252 3.148 207 HB3 TRP 22 3HB TRP 22 1.676 -10.254 1.801 208 HD1 TRP 22 HD1 TRP 22 4.658 -9.935 4.239 209 HE1 TRP 22 HE1 TRP 22 5.736 -12.258 4.492 210 HE3 TRP 22 HE3 TRP 22 1.885 -12.494 0.790 211 HZ2 TRP 22 HZ2 TRP 22 5.449 -14.835 3.376 212 HZ3 TRP 22 HZ3 TRP 22 2.350 -14.885 0.443 213 HH2 TRP 22 HH2 TRP 22 4.096 -16.029 1.709 214 H CYS 23 H CYS 23 3.607 -7.824 -0.978 215 HA CYS 23 HA CYS 23 1.025 -7.866 -2.050 216 HB2 CYS 23 2HB CYS 23 0.412 -6.270 -0.340 217 HB3 CYS 23 3HB CYS 23 1.792 -5.253 -0.738 218 HA PRO 24 HA PRO 24 4.220 -7.059 -5.161 219 HB2 PRO 24 2HB PRO 24 2.880 -8.312 -7.162 220 HB3 PRO 24 3HB PRO 24 3.850 -9.179 -5.965 221 HG2 PRO 24 2HG PRO 24 0.887 -8.767 -6.062 222 HG3 PRO 24 3HG PRO 24 1.800 -10.235 -5.666 223 HD2 PRO 24 2HD PRO 24 0.706 -8.644 -3.768 224 HD3 PRO 24 3HD PRO 24 2.211 -9.548 -3.505 Start of MODEL 12 1 H1 THR 1 H THR 1 0.207 0.676 -4.621 2 HA THR 1 HA THR 1 0.441 1.347 -1.836 3 HB THR 1 HB THR 1 -0.373 -1.289 -3.073 4 HG1 THR 1 HG1 THR 1 -2.521 -0.434 -2.656 5 HG21 THR 1 3HG2 THR 1 -0.274 -0.236 -0.309 6 HG22 THR 1 1HG2 THR 1 -0.123 -1.891 -0.896 7 HG23 THR 1 2HG2 THR 1 -1.716 -1.148 -0.755 8 H CYS 2 H CYS 2 1.843 -1.171 -3.930 9 HA CYS 2 HA CYS 2 4.098 -1.349 -2.047 10 HB2 CYS 2 2HB CYS 2 4.201 -3.814 -2.681 11 HB3 CYS 2 3HB CYS 2 2.879 -3.335 -1.622 12 H HIS 3 H HIS 3 6.084 -2.212 -3.026 13 HA HIS 3 HA HIS 3 6.232 -1.985 -5.936 14 HB2 HIS 3 2HB HIS 3 6.773 0.242 -4.678 15 HB3 HIS 3 3HB HIS 3 8.293 -0.557 -4.290 16 HD1 HIS 3 HD1 HIS 3 10.030 -0.722 -6.126 17 HD2 HIS 3 HD2 HIS 3 6.387 0.764 -7.459 18 HE1 HIS 3 HE1 HIS 3 10.459 0.115 -8.458 19 H ILE 4 H ILE 4 6.737 -4.132 -6.153 20 HA ILE 4 HA ILE 4 9.425 -4.897 -5.866 21 HB ILE 4 HB ILE 4 8.878 -5.071 -3.483 22 HG12 ILE 4 2HG1 ILE 4 9.512 -7.491 -3.189 23 HG13 ILE 4 3HG1 ILE 4 9.307 -7.693 -4.925 24 HG21 ILE 4 1HG2 ILE 4 7.133 -6.280 -2.612 25 HG22 ILE 4 2HG2 ILE 4 6.412 -5.699 -4.112 26 HG23 ILE 4 3HG2 ILE 4 7.030 -7.347 -4.012 27 HD11 ILE 4 3HD1 ILE 4 11.350 -6.945 -5.296 28 HD12 ILE 4 1HD1 ILE 4 11.020 -5.462 -4.402 29 HD13 ILE 4 2HD1 ILE 4 11.604 -6.893 -3.552 30 H ARG 5 H ARG 5 9.862 -6.581 -7.184 31 HA ARG 5 HA ARG 5 7.690 -7.677 -8.729 32 HB2 ARG 5 2HB ARG 5 9.472 -8.781 -10.026 33 HB3 ARG 5 3HB ARG 5 9.757 -7.055 -9.848 34 HG2 ARG 5 2HG ARG 5 11.343 -7.538 -8.020 35 HG3 ARG 5 3HG ARG 5 11.100 -9.263 -8.304 36 HD2 ARG 5 2HD ARG 5 12.229 -7.250 -10.244 37 HD3 ARG 5 3HD ARG 5 13.114 -8.531 -9.419 38 HE ARG 5 HE ARG 5 10.994 -9.638 -10.915 39 HH11 ARG 5 1HH1 ARG 5 14.112 -8.141 -11.315 40 HH12 ARG 5 2HH1 ARG 5 14.457 -8.956 -12.804 41 HH21 ARG 5 1HH2 ARG 5 11.437 -10.717 -12.875 42 HH22 ARG 5 2HH2 ARG 5 12.934 -10.420 -13.692 43 H ARG 6 H ARG 6 10.037 -8.868 -6.372 44 HA ARG 6 HA ARG 6 9.570 -11.591 -6.553 45 HB2 ARG 6 2HB ARG 6 11.359 -10.680 -5.186 46 HB3 ARG 6 3HB ARG 6 10.191 -9.932 -4.105 47 HG2 ARG 6 2HG ARG 6 11.022 -11.883 -3.037 48 HG3 ARG 6 3HG ARG 6 9.364 -12.218 -3.541 49 HD2 ARG 6 2HD ARG 6 10.348 -13.272 -5.618 50 HD3 ARG 6 3HD ARG 6 11.919 -13.154 -4.826 51 HE ARG 6 HE ARG 6 9.925 -14.478 -3.237 52 HH11 ARG 6 1HH1 ARG 6 12.332 -14.875 -5.720 53 HH12 ARG 6 2HH1 ARG 6 12.567 -16.563 -5.405 54 HH21 ARG 6 1HH2 ARG 6 10.225 -16.699 -2.812 55 HH22 ARG 6 2HH2 ARG 6 11.367 -17.599 -3.751 56 H LYS 7 H LYS 7 7.552 -12.385 -6.711 57 HA LYS 7 HA LYS 7 5.522 -11.495 -4.791 58 HB2 LYS 7 2HB LYS 7 3.903 -12.593 -6.272 59 HB3 LYS 7 3HB LYS 7 4.874 -11.414 -7.145 60 HG2 LYS 7 2HG LYS 7 4.898 -13.149 -8.624 61 HG3 LYS 7 3HG LYS 7 6.354 -13.510 -7.693 62 HD2 LYS 7 2HD LYS 7 5.438 -15.343 -6.718 63 HD3 LYS 7 3HD LYS 7 3.818 -14.644 -6.676 64 HE2 LYS 7 2HE LYS 7 5.164 -15.601 -9.196 65 HE3 LYS 7 3HE LYS 7 4.098 -16.607 -8.216 66 HZ1 LYS 7 3HZ LYS 7 3.356 -14.059 -9.550 67 HZ2 LYS 7 1HZ LYS 7 2.331 -14.976 -8.564 68 HZ3 LYS 7 2HZ LYS 7 2.885 -15.612 -10.030 69 HA PRO 8 HA PRO 8 5.663 -15.206 -2.448 70 HB2 PRO 8 2HB PRO 8 3.057 -15.475 -1.736 71 HB3 PRO 8 3HB PRO 8 4.118 -14.239 -1.049 72 HG2 PRO 8 2HG PRO 8 2.094 -13.993 -3.241 73 HG3 PRO 8 3HG PRO 8 2.417 -12.893 -1.887 74 HD2 PRO 8 2HD PRO 8 3.347 -12.437 -4.389 75 HD3 PRO 8 3HD PRO 8 4.234 -11.936 -2.935 76 H LYS 9 H LYS 9 5.761 -17.295 -2.979 77 HA LYS 9 HA LYS 9 3.640 -18.683 -4.281 78 HB2 LYS 9 2HB LYS 9 4.912 -19.316 -6.318 79 HB3 LYS 9 3HB LYS 9 4.495 -17.608 -6.266 80 HG2 LYS 9 2HG LYS 9 6.658 -17.437 -6.924 81 HG3 LYS 9 3HG LYS 9 6.900 -17.430 -5.176 82 HD2 LYS 9 2HD LYS 9 7.790 -19.531 -5.154 83 HD3 LYS 9 3HD LYS 9 6.843 -20.064 -6.545 84 HE2 LYS 9 2HE LYS 9 9.173 -18.153 -6.677 85 HE3 LYS 9 3HE LYS 9 9.272 -19.882 -7.012 86 HZ1 LYS 9 3HZ LYS 9 7.378 -19.328 -8.683 87 HZ2 LYS 9 1HZ LYS 9 8.989 -19.025 -9.100 88 HZ3 LYS 9 2HZ LYS 9 7.996 -17.757 -8.585 89 H PHE 10 H PHE 10 3.883 -20.911 -4.177 90 HA PHE 10 HA PHE 10 4.604 -22.873 -3.279 91 HB2 PHE 10 2HB PHE 10 6.436 -22.252 -5.047 92 HB3 PHE 10 3HB PHE 10 7.445 -21.984 -3.629 93 HD1 PHE 10 HD1 PHE 10 5.000 -24.561 -4.787 94 HD2 PHE 10 HD2 PHE 10 8.809 -23.732 -3.079 95 HE1 PHE 10 HE1 PHE 10 5.472 -26.974 -4.675 96 HE2 PHE 10 HE2 PHE 10 9.287 -26.142 -2.965 97 HZ PHE 10 HZ PHE 10 7.618 -27.767 -3.764 98 H ARG 11 H ARG 11 4.082 -20.794 -1.442 99 HA ARG 11 HA ARG 11 6.077 -21.338 0.657 100 HB2 ARG 11 2HB ARG 11 5.004 -19.219 1.707 101 HB3 ARG 11 3HB ARG 11 6.155 -19.033 0.391 102 HG2 ARG 11 2HG ARG 11 4.325 -17.554 0.008 103 HG3 ARG 11 3HG ARG 11 4.240 -18.855 -1.181 104 HD2 ARG 11 2HD ARG 11 2.376 -19.794 -0.222 105 HD3 ARG 11 3HD ARG 11 2.746 -19.151 1.377 106 HE ARG 11 HE ARG 11 1.608 -17.228 0.841 107 HH11 ARG 11 1HH1 ARG 11 2.123 -19.124 -2.033 108 HH12 ARG 11 2HH1 ARG 11 1.077 -18.155 -3.017 109 HH21 ARG 11 1HH2 ARG 11 0.229 -15.945 -0.444 110 HH22 ARG 11 2HH2 ARG 11 0.001 -16.346 -2.113 111 H LYS 12 H LYS 12 5.287 -21.613 2.823 112 HA LYS 12 HA LYS 12 2.630 -22.860 2.868 113 HB2 LYS 12 2HB LYS 12 4.983 -23.137 4.746 114 HB3 LYS 12 3HB LYS 12 3.430 -23.928 4.976 115 HG2 LYS 12 2HG LYS 12 4.957 -24.328 2.440 116 HG3 LYS 12 3HG LYS 12 5.382 -25.234 3.894 117 HD2 LYS 12 2HD LYS 12 2.553 -25.128 2.900 118 HD3 LYS 12 3HD LYS 12 3.712 -26.284 2.237 119 HE2 LYS 12 2HE LYS 12 4.139 -27.090 4.548 120 HE3 LYS 12 3HE LYS 12 2.862 -26.017 5.118 121 HZ1 LYS 12 3HZ LYS 12 1.268 -27.376 4.358 122 HZ2 LYS 12 1HZ LYS 12 2.476 -28.561 4.394 123 HZ3 LYS 12 2HZ LYS 12 2.108 -27.771 2.944 124 H PHE 13 H PHE 13 4.582 -21.339 5.422 125 HA PHE 13 HA PHE 13 2.331 -20.329 6.793 126 HB2 PHE 13 2HB PHE 13 5.271 -19.665 6.973 127 HB3 PHE 13 3HB PHE 13 4.063 -18.960 8.042 128 HD1 PHE 13 HD2 PHE 13 5.475 -22.204 6.925 129 HD2 PHE 13 HD1 PHE 13 3.385 -20.080 9.964 130 HE1 PHE 13 HE2 PHE 13 5.656 -24.157 8.409 131 HE2 PHE 13 HE1 PHE 13 3.564 -22.029 11.454 132 HZ PHE 13 HZ PHE 13 4.700 -24.072 10.677 133 H LYS 14 H LYS 14 1.239 -18.465 6.633 134 HA LYS 14 HA LYS 14 1.976 -16.641 4.477 135 HB2 LYS 14 2HB LYS 14 -0.539 -17.032 6.089 136 HB3 LYS 14 3HB LYS 14 -0.321 -15.650 5.023 137 HG2 LYS 14 2HG LYS 14 -0.078 -18.498 4.092 138 HG3 LYS 14 3HG LYS 14 -1.590 -17.587 4.056 139 HD2 LYS 14 2HD LYS 14 0.820 -16.347 2.834 140 HD3 LYS 14 3HD LYS 14 0.041 -17.674 1.969 141 HE2 LYS 14 2HE LYS 14 -1.089 -15.870 1.108 142 HE3 LYS 14 3HE LYS 14 -2.138 -16.307 2.455 143 HZ1 LYS 14 3HZ LYS 14 -0.020 -14.423 3.072 144 HZ2 LYS 14 1HZ LYS 14 -1.638 -14.435 3.566 145 HZ3 LYS 14 2HZ LYS 14 -1.225 -13.845 2.036 146 H LEU 15 H LEU 15 2.578 -14.559 4.767 147 HA LEU 15 HA LEU 15 3.489 -12.760 5.827 148 HB2 LEU 15 2HB LEU 15 0.985 -13.323 7.352 149 HB3 LEU 15 3HB LEU 15 2.072 -12.050 7.904 150 HG LEU 15 HG LEU 15 0.222 -11.173 6.556 151 HD11 LEU 15 1HD1 LEU 15 3.050 -10.817 5.956 152 HD12 LEU 15 2HD1 LEU 15 1.786 -9.618 6.223 153 HD13 LEU 15 3HD1 LEU 15 1.990 -10.343 4.629 154 HD21 LEU 15 3HD2 LEU 15 1.376 -12.402 4.100 155 HD22 LEU 15 1HD2 LEU 15 -0.262 -11.828 4.415 156 HD23 LEU 15 2HD2 LEU 15 0.281 -13.360 5.098 157 H TYR 16 H TYR 16 4.602 -15.296 6.534 158 HA TYR 16 HA TYR 16 4.961 -15.720 9.257 159 HB2 TYR 16 2HB TYR 16 7.234 -16.687 8.493 160 HB3 TYR 16 3HB TYR 16 5.762 -17.422 7.866 161 HD1 TYR 16 HD2 TYR 16 7.878 -14.483 6.911 162 HD2 TYR 16 HD1 TYR 16 5.953 -18.069 5.669 163 HE1 TYR 16 HE2 TYR 16 8.675 -14.109 4.614 164 HE2 TYR 16 HE1 TYR 16 6.746 -17.705 3.369 165 HH TYR 16 HH TYR 16 7.985 -16.441 2.027 166 H HIS 17 H HIS 17 7.386 -15.540 10.159 167 HA HIS 17 HA HIS 17 7.845 -12.686 10.404 168 HB2 HIS 17 2HB HIS 17 8.622 -15.114 11.931 169 HB3 HIS 17 3HB HIS 17 9.710 -13.733 12.020 170 HD1 HIS 17 HD1 HIS 17 6.062 -13.070 11.744 171 HD2 HIS 17 HD2 HIS 17 8.957 -13.331 14.713 172 HE1 HIS 17 HE1 HIS 17 5.003 -12.091 13.804 173 H GLU 18 H GLU 18 8.547 -12.697 8.058 174 HA GLU 18 HA GLU 18 11.447 -12.736 7.997 175 HB2 GLU 18 2HB GLU 18 10.067 -14.928 6.985 176 HB3 GLU 18 3HB GLU 18 10.423 -13.958 5.563 177 HG2 GLU 18 2HG GLU 18 12.821 -13.887 6.740 178 HG3 GLU 18 3HG GLU 18 12.240 -15.432 7.360 179 H GLY 19 H GLY 19 11.405 -10.522 7.731 180 HA2 GLY 19 2HA GLY 19 11.378 -8.562 6.535 181 HA3 GLY 19 3HA GLY 19 11.173 -9.545 5.093 182 H LYS 20 H LYS 20 9.735 -7.302 7.140 183 HA LYS 20 HA LYS 20 6.999 -8.002 6.786 184 HB2 LYS 20 2HB LYS 20 8.501 -5.664 7.833 185 HB3 LYS 20 3HB LYS 20 6.851 -5.372 7.300 186 HG2 LYS 20 2HG LYS 20 6.251 -7.390 8.789 187 HG3 LYS 20 3HG LYS 20 7.833 -7.115 9.522 188 HD2 LYS 20 2HD LYS 20 7.226 -4.910 10.190 189 HD3 LYS 20 3HD LYS 20 5.745 -4.962 9.231 190 HE2 LYS 20 2HE LYS 20 6.254 -6.902 11.466 191 HE3 LYS 20 3HE LYS 20 5.549 -5.314 11.762 192 HZ1 LYS 20 3HZ LYS 20 3.594 -6.165 11.219 193 HZ2 LYS 20 1HZ LYS 20 4.292 -7.652 10.815 194 HZ3 LYS 20 2HZ LYS 20 4.151 -6.439 9.645 195 H PHE 21 H PHE 21 6.634 -8.364 4.599 196 HA PHE 21 HA PHE 21 5.772 -6.186 3.076 197 HB2 PHE 21 2HB PHE 21 8.481 -6.257 2.975 198 HB3 PHE 21 3HB PHE 21 8.086 -7.296 1.610 199 HD1 PHE 21 HD1 PHE 21 6.007 -6.245 0.177 200 HD2 PHE 21 HD2 PHE 21 8.889 -4.077 2.437 201 HE1 PHE 21 HE1 PHE 21 5.602 -4.259 -1.218 202 HE2 PHE 21 HE2 PHE 21 8.488 -2.087 1.047 203 HZ PHE 21 HZ PHE 21 6.842 -2.176 -0.783 204 H TRP 22 H TRP 22 4.032 -7.248 2.364 205 HA TRP 22 HA TRP 22 4.475 -9.672 0.760 206 HB2 TRP 22 2HB TRP 22 2.596 -9.279 3.050 207 HB3 TRP 22 3HB TRP 22 2.081 -10.294 1.705 208 HD1 TRP 22 HD1 TRP 22 5.063 -10.068 4.181 209 HE1 TRP 22 HE1 TRP 22 5.878 -12.463 4.655 210 HE3 TRP 22 HE3 TRP 22 1.966 -12.621 1.013 211 HZ2 TRP 22 HZ2 TRP 22 5.286 -15.087 3.799 212 HZ3 TRP 22 HZ3 TRP 22 2.155 -15.072 0.900 213 HH2 TRP 22 HH2 TRP 22 3.782 -16.277 2.265 214 H CYS 23 H CYS 23 4.392 -8.134 -1.012 215 HA CYS 23 HA CYS 23 1.882 -8.052 -2.264 216 HB2 CYS 23 2HB CYS 23 1.428 -6.279 -0.602 217 HB3 CYS 23 3HB CYS 23 2.813 -5.374 -1.205 218 HA PRO 24 HA PRO 24 5.328 -7.732 -5.192 219 HB2 PRO 24 2HB PRO 24 4.011 -9.001 -7.198 220 HB3 PRO 24 3HB PRO 24 4.823 -9.863 -5.887 221 HG2 PRO 24 2HG PRO 24 1.920 -9.210 -6.212 222 HG3 PRO 24 3HG PRO 24 2.672 -10.720 -5.664 223 HD2 PRO 24 2HD PRO 24 1.607 -8.917 -3.948 224 HD3 PRO 24 3HD PRO 24 3.006 -9.925 -3.526 Start of MODEL 13 1 H1 THR 1 H THR 1 0.375 0.378 -0.604 2 HA THR 1 HA THR 1 0.646 -0.124 -3.488 3 HB THR 1 HB THR 1 2.199 2.098 -2.204 4 HG1 THR 1 HG1 THR 1 -0.310 2.460 -3.499 5 HG21 THR 1 3HG2 THR 1 2.105 0.932 -4.755 6 HG22 THR 1 1HG2 THR 1 2.963 2.396 -4.277 7 HG23 THR 1 2HG2 THR 1 1.321 2.503 -4.914 8 H CYS 2 H CYS 2 2.430 -1.236 -4.080 9 HA CYS 2 HA CYS 2 4.605 -1.565 -2.143 10 HB2 CYS 2 2HB CYS 2 4.630 -4.041 -2.756 11 HB3 CYS 2 3HB CYS 2 3.335 -3.508 -1.688 12 H HIS 3 H HIS 3 6.297 -3.164 -3.351 13 HA HIS 3 HA HIS 3 6.929 -1.751 -5.832 14 HB2 HIS 3 2HB HIS 3 8.545 -3.336 -3.860 15 HB3 HIS 3 3HB HIS 3 9.164 -3.044 -5.482 16 HD1 HIS 3 HD1 HIS 3 8.421 -0.143 -5.919 17 HD2 HIS 3 HD2 HIS 3 9.929 -1.586 -2.327 18 HE1 HIS 3 HE1 HIS 3 9.421 1.853 -4.760 19 H ILE 4 H ILE 4 8.393 -3.343 -7.301 20 HA ILE 4 HA ILE 4 6.918 -5.857 -7.666 21 HB ILE 4 HB ILE 4 7.629 -4.016 -9.949 22 HG12 ILE 4 2HG1 ILE 4 5.843 -3.058 -8.527 23 HG13 ILE 4 3HG1 ILE 4 5.252 -3.513 -10.121 24 HG21 ILE 4 1HG2 ILE 4 6.817 -6.773 -9.772 25 HG22 ILE 4 2HG2 ILE 4 5.643 -5.831 -10.690 26 HG23 ILE 4 3HG2 ILE 4 7.337 -5.844 -11.178 27 HD11 ILE 4 3HD1 ILE 4 4.893 -5.744 -8.439 28 HD12 ILE 4 1HD1 ILE 4 4.317 -4.326 -7.564 29 HD13 ILE 4 2HD1 ILE 4 3.664 -4.705 -9.158 30 H ARG 5 H ARG 5 8.377 -7.417 -7.458 31 HA ARG 5 HA ARG 5 10.714 -7.453 -9.140 32 HB2 ARG 5 2HB ARG 5 12.235 -7.913 -7.145 33 HB3 ARG 5 3HB ARG 5 11.753 -6.242 -7.405 34 HG2 ARG 5 2HG ARG 5 9.968 -6.567 -5.694 35 HG3 ARG 5 3HG ARG 5 10.659 -8.157 -5.361 36 HD2 ARG 5 2HD ARG 5 12.243 -5.601 -5.210 37 HD3 ARG 5 3HD ARG 5 11.394 -6.293 -3.828 38 HE ARG 5 HE ARG 5 13.881 -7.157 -4.912 39 HH11 ARG 5 1HH1 ARG 5 10.988 -8.273 -3.330 40 HH12 ARG 5 2HH1 ARG 5 11.753 -9.658 -2.623 41 HH21 ARG 5 1HH2 ARG 5 14.899 -8.977 -3.988 42 HH22 ARG 5 2HH2 ARG 5 13.978 -10.057 -2.998 43 H ARG 6 H ARG 6 9.164 -8.962 -6.315 44 HA ARG 6 HA ARG 6 9.102 -11.505 -7.708 45 HB2 ARG 6 2HB ARG 6 10.649 -11.096 -5.148 46 HB3 ARG 6 3HB ARG 6 10.121 -12.677 -5.710 47 HG2 ARG 6 2HG ARG 6 11.928 -10.814 -7.236 48 HG3 ARG 6 3HG ARG 6 12.462 -12.194 -6.275 49 HD2 ARG 6 2HD ARG 6 10.722 -12.247 -8.736 50 HD3 ARG 6 3HD ARG 6 12.375 -12.841 -8.589 51 HE ARG 6 HE ARG 6 10.908 -14.226 -6.714 52 HH11 ARG 6 1HH1 ARG 6 10.854 -13.809 -10.170 53 HH12 ARG 6 2HH1 ARG 6 10.194 -15.381 -10.480 54 HH21 ARG 6 1HH2 ARG 6 10.040 -16.298 -7.109 55 HH22 ARG 6 2HH2 ARG 6 9.731 -16.795 -8.738 56 H LYS 7 H LYS 7 7.439 -12.800 -7.059 57 HA LYS 7 HA LYS 7 5.709 -11.713 -4.942 58 HB2 LYS 7 2HB LYS 7 3.861 -12.872 -6.074 59 HB3 LYS 7 3HB LYS 7 4.668 -11.735 -7.147 60 HG2 LYS 7 2HG LYS 7 4.448 -13.531 -8.535 61 HG3 LYS 7 3HG LYS 7 6.041 -13.859 -7.848 62 HD2 LYS 7 2HD LYS 7 5.321 -15.681 -6.732 63 HD3 LYS 7 3HD LYS 7 3.776 -14.938 -6.313 64 HE2 LYS 7 2HE LYS 7 3.904 -15.388 -9.141 65 HE3 LYS 7 3HE LYS 7 4.290 -16.880 -8.286 66 HZ1 LYS 7 3HZ LYS 7 2.188 -17.118 -7.644 67 HZ2 LYS 7 1HZ LYS 7 1.792 -15.919 -8.771 68 HZ3 LYS 7 2HZ LYS 7 2.049 -15.506 -7.151 69 HA PRO 8 HA PRO 8 6.221 -15.305 -2.469 70 HB2 PRO 8 2HB PRO 8 3.770 -15.503 -1.319 71 HB3 PRO 8 3HB PRO 8 4.938 -14.249 -0.883 72 HG2 PRO 8 2HG PRO 8 2.576 -14.083 -2.715 73 HG3 PRO 8 3HG PRO 8 3.128 -12.923 -1.493 74 HD2 PRO 8 2HD PRO 8 3.627 -12.603 -4.135 75 HD3 PRO 8 3HD PRO 8 4.748 -12.044 -2.876 76 H LYS 9 H LYS 9 5.956 -17.495 -2.543 77 HA LYS 9 HA LYS 9 3.719 -18.861 -3.535 78 HB2 LYS 9 2HB LYS 9 5.472 -17.829 -5.567 79 HB3 LYS 9 3HB LYS 9 5.523 -19.586 -5.584 80 HG2 LYS 9 2HG LYS 9 3.022 -17.917 -5.744 81 HG3 LYS 9 3HG LYS 9 3.832 -18.689 -7.109 82 HD2 LYS 9 2HD LYS 9 2.727 -20.155 -4.714 83 HD3 LYS 9 3HD LYS 9 1.887 -19.974 -6.256 84 HE2 LYS 9 2HE LYS 9 3.995 -21.015 -7.291 85 HE3 LYS 9 3HE LYS 9 4.398 -21.501 -5.645 86 HZ1 LYS 9 3HZ LYS 9 3.138 -23.163 -7.043 87 HZ2 LYS 9 1HZ LYS 9 1.790 -22.152 -6.884 88 HZ3 LYS 9 2HZ LYS 9 2.497 -22.842 -5.511 89 H PHE 10 H PHE 10 4.056 -21.176 -3.669 90 HA PHE 10 HA PHE 10 4.835 -23.107 -2.743 91 HB2 PHE 10 2HB PHE 10 7.344 -21.834 -3.812 92 HB3 PHE 10 3HB PHE 10 7.377 -23.414 -3.037 93 HD1 PHE 10 HD1 PHE 10 5.124 -24.829 -3.972 94 HD2 PHE 10 HD2 PHE 10 7.538 -22.031 -6.083 95 HE1 PHE 10 HE1 PHE 10 4.484 -25.887 -6.100 96 HE2 PHE 10 HE2 PHE 10 6.902 -23.084 -8.214 97 HZ PHE 10 HZ PHE 10 5.372 -25.014 -8.224 98 H ARG 11 H ARG 11 4.444 -20.919 -0.928 99 HA ARG 11 HA ARG 11 6.565 -21.397 1.055 100 HB2 ARG 11 2HB ARG 11 5.842 -19.339 2.137 101 HB3 ARG 11 3HB ARG 11 6.209 -19.040 0.443 102 HG2 ARG 11 2HG ARG 11 3.402 -19.690 1.025 103 HG3 ARG 11 3HG ARG 11 3.988 -18.166 1.694 104 HD2 ARG 11 2HD ARG 11 4.723 -17.456 -0.509 105 HD3 ARG 11 3HD ARG 11 4.225 -19.003 -1.194 106 HE ARG 11 HE ARG 11 2.529 -16.774 -0.513 107 HH11 ARG 11 1HH1 ARG 11 2.691 -20.201 -1.109 108 HH12 ARG 11 2HH1 ARG 11 1.017 -20.337 -1.534 109 HH21 ARG 11 1HH2 ARG 11 0.324 -16.942 -1.071 110 HH22 ARG 11 2HH2 ARG 11 -0.328 -18.483 -1.513 111 H LYS 12 H LYS 12 6.030 -21.956 3.176 112 HA LYS 12 HA LYS 12 3.538 -23.423 3.423 113 HB2 LYS 12 2HB LYS 12 5.982 -23.201 5.178 114 HB3 LYS 12 3HB LYS 12 4.548 -24.102 5.652 115 HG2 LYS 12 2HG LYS 12 5.912 -24.680 3.056 116 HG3 LYS 12 3HG LYS 12 6.522 -25.356 4.568 117 HD2 LYS 12 2HD LYS 12 4.493 -26.519 4.968 118 HD3 LYS 12 3HD LYS 12 3.656 -25.639 3.687 119 HE2 LYS 12 2HE LYS 12 4.599 -26.889 2.025 120 HE3 LYS 12 3HE LYS 12 6.067 -27.207 2.947 121 HZ1 LYS 12 3HZ LYS 12 4.339 -29.087 2.546 122 HZ2 LYS 12 1HZ LYS 12 3.531 -28.378 3.853 123 HZ3 LYS 12 2HZ LYS 12 5.110 -28.955 4.046 124 H PHE 13 H PHE 13 5.269 -21.188 5.603 125 HA PHE 13 HA PHE 13 2.769 -20.466 6.876 126 HB2 PHE 13 2HB PHE 13 5.637 -19.669 7.385 127 HB3 PHE 13 3HB PHE 13 4.281 -19.012 8.296 128 HD1 PHE 13 HD1 PHE 13 6.069 -22.139 7.462 129 HD2 PHE 13 HD2 PHE 13 3.330 -20.200 10.080 130 HE1 PHE 13 HE1 PHE 13 6.168 -24.067 8.987 131 HE2 PHE 13 HE2 PHE 13 3.425 -22.125 11.610 132 HZ PHE 13 HZ PHE 13 4.846 -24.061 11.065 133 H LYS 14 H LYS 14 1.663 -18.609 6.617 134 HA LYS 14 HA LYS 14 2.566 -16.804 4.500 135 HB2 LYS 14 2HB LYS 14 -0.094 -17.358 5.779 136 HB3 LYS 14 3HB LYS 14 0.161 -15.886 4.851 137 HG2 LYS 14 2HG LYS 14 0.737 -18.607 3.723 138 HG3 LYS 14 3HG LYS 14 -0.860 -17.860 3.632 139 HD2 LYS 14 2HD LYS 14 1.560 -16.361 2.707 140 HD3 LYS 14 3HD LYS 14 0.809 -17.568 1.660 141 HE2 LYS 14 2HE LYS 14 -0.597 -15.200 2.893 142 HE3 LYS 14 3HE LYS 14 -0.031 -15.295 1.227 143 HZ1 LYS 14 3HZ LYS 14 -1.547 -17.541 1.557 144 HZ2 LYS 14 1HZ LYS 14 -2.024 -16.125 0.764 145 HZ3 LYS 14 2HZ LYS 14 -2.413 -16.353 2.393 146 H LEU 15 H LEU 15 2.967 -14.661 4.802 147 HA LEU 15 HA LEU 15 3.668 -12.803 5.919 148 HB2 LEU 15 2HB LEU 15 1.096 -13.531 7.251 149 HB3 LEU 15 3HB LEU 15 2.048 -12.183 7.869 150 HG LEU 15 HG LEU 15 0.260 -11.430 6.382 151 HD11 LEU 15 1HD1 LEU 15 1.722 -9.781 6.078 152 HD12 LEU 15 2HD1 LEU 15 2.143 -10.563 4.555 153 HD13 LEU 15 3HD1 LEU 15 3.086 -10.897 6.007 154 HD21 LEU 15 3HD2 LEU 15 0.217 -13.486 4.976 155 HD22 LEU 15 1HD2 LEU 15 1.699 -12.929 4.199 156 HD23 LEU 15 2HD2 LEU 15 0.218 -11.983 4.051 157 H TYR 16 H TYR 16 4.876 -15.269 6.733 158 HA TYR 16 HA TYR 16 5.049 -15.637 9.487 159 HB2 TYR 16 2HB TYR 16 7.413 -16.505 8.908 160 HB3 TYR 16 3HB TYR 16 6.029 -17.320 8.188 161 HD1 TYR 16 HD1 TYR 16 8.067 -14.295 7.337 162 HD2 TYR 16 HD2 TYR 16 6.414 -17.989 6.023 163 HE1 TYR 16 HE1 TYR 16 9.015 -13.916 5.100 164 HE2 TYR 16 HE2 TYR 16 7.359 -17.621 3.782 165 HH TYR 16 HH TYR 16 8.158 -15.019 2.528 166 H HIS 17 H HIS 17 7.443 -15.336 10.506 167 HA HIS 17 HA HIS 17 7.740 -12.448 10.716 168 HB2 HIS 17 2HB HIS 17 8.462 -14.790 12.397 169 HB3 HIS 17 3HB HIS 17 9.492 -13.367 12.526 170 HD1 HIS 17 HD1 HIS 17 6.763 -14.792 14.175 171 HD2 HIS 17 HD2 HIS 17 7.590 -10.941 12.853 172 HE1 HIS 17 HE1 HIS 17 5.268 -13.284 15.521 173 H GLU 18 H GLU 18 8.646 -12.514 8.442 174 HA GLU 18 HA GLU 18 11.540 -12.448 8.634 175 HB2 GLU 18 2HB GLU 18 10.399 -14.743 7.651 176 HB3 GLU 18 3HB GLU 18 10.683 -13.816 6.185 177 HG2 GLU 18 2HG GLU 18 12.577 -15.200 6.560 178 HG3 GLU 18 3HG GLU 18 13.048 -13.535 6.895 179 H GLY 19 H GLY 19 11.455 -10.248 8.283 180 HA2 GLY 19 2HA GLY 19 11.435 -8.322 7.035 181 HA3 GLY 19 3HA GLY 19 11.449 -9.357 5.615 182 H LYS 20 H LYS 20 9.610 -7.248 7.550 183 HA LYS 20 HA LYS 20 6.999 -8.076 6.868 184 HB2 LYS 20 2HB LYS 20 8.010 -6.226 8.565 185 HB3 LYS 20 3HB LYS 20 7.471 -5.181 7.256 186 HG2 LYS 20 2HG LYS 20 5.255 -5.693 7.574 187 HG3 LYS 20 3HG LYS 20 5.612 -7.252 8.321 188 HD2 LYS 20 2HD LYS 20 6.511 -6.043 10.294 189 HD3 LYS 20 3HD LYS 20 6.006 -4.524 9.550 190 HE2 LYS 20 2HE LYS 20 4.006 -6.710 9.880 191 HE3 LYS 20 3HE LYS 20 4.471 -5.761 11.291 192 HZ1 LYS 20 3HZ LYS 20 3.226 -4.792 8.783 193 HZ2 LYS 20 1HZ LYS 20 3.929 -3.750 9.915 194 HZ3 LYS 20 2HZ LYS 20 2.605 -4.705 10.354 195 H PHE 21 H PHE 21 6.884 -8.520 4.671 196 HA PHE 21 HA PHE 21 6.174 -6.355 2.996 197 HB2 PHE 21 2HB PHE 21 8.872 -6.594 3.096 198 HB3 PHE 21 3HB PHE 21 8.508 -7.692 1.769 199 HD1 PHE 21 HD2 PHE 21 6.469 -6.537 0.238 200 HD2 PHE 21 HD1 PHE 21 9.588 -4.556 2.351 201 HE1 PHE 21 HE2 PHE 21 6.290 -4.623 -1.298 202 HE2 PHE 21 HE1 PHE 21 9.413 -2.639 0.819 203 HZ PHE 21 HZ PHE 21 7.763 -2.671 -1.009 204 H TRP 22 H TRP 22 4.405 -7.378 2.276 205 HA TRP 22 HA TRP 22 4.804 -9.849 0.744 206 HB2 TRP 22 2HB TRP 22 2.871 -9.392 2.990 207 HB3 TRP 22 3HB TRP 22 2.438 -10.482 1.676 208 HD1 TRP 22 HD1 TRP 22 5.195 -10.073 4.361 209 HE1 TRP 22 HE1 TRP 22 6.100 -12.413 4.936 210 HE3 TRP 22 HE3 TRP 22 2.575 -12.819 0.937 211 HZ2 TRP 22 HZ2 TRP 22 5.750 -15.071 4.054 212 HZ3 TRP 22 HZ3 TRP 22 2.918 -15.255 0.867 213 HH2 TRP 22 HH2 TRP 22 4.473 -16.356 2.394 214 H CYS 23 H CYS 23 4.748 -8.321 -1.040 215 HA CYS 23 HA CYS 23 2.253 -8.224 -2.311 216 HB2 CYS 23 2HB CYS 23 1.784 -6.450 -0.656 217 HB3 CYS 23 3HB CYS 23 3.180 -5.549 -1.242 218 HA PRO 24 HA PRO 24 5.721 -7.917 -5.211 219 HB2 PRO 24 2HB PRO 24 4.412 -9.174 -7.230 220 HB3 PRO 24 3HB PRO 24 5.208 -10.044 -5.914 221 HG2 PRO 24 2HG PRO 24 2.312 -9.372 -6.261 222 HG3 PRO 24 3HG PRO 24 3.050 -10.887 -5.710 223 HD2 PRO 24 2HD PRO 24 1.982 -9.080 -3.999 224 HD3 PRO 24 3HD PRO 24 3.372 -10.098 -3.569 Start of MODEL 14 1 H1 THR 1 H THR 1 1.788 1.670 -4.535 2 HA THR 1 HA THR 1 2.729 2.186 -1.794 3 HB THR 1 HB THR 1 0.796 1.030 -0.972 4 HG1 THR 1 HG1 THR 1 0.167 0.472 -3.698 5 HG21 THR 1 3HG2 THR 1 -0.903 2.521 -1.592 6 HG22 THR 1 1HG2 THR 1 -0.287 2.682 -3.236 7 HG23 THR 1 2HG2 THR 1 0.584 3.419 -1.891 8 H CYS 2 H CYS 2 2.133 -0.409 -4.140 9 HA CYS 2 HA CYS 2 3.876 -2.167 -2.546 10 HB2 CYS 2 2HB CYS 2 1.741 -2.820 -4.585 11 HB3 CYS 2 3HB CYS 2 2.833 -4.018 -3.896 12 H HIS 3 H HIS 3 5.844 -2.556 -3.295 13 HA HIS 3 HA HIS 3 6.319 -2.638 -6.175 14 HB2 HIS 3 2HB HIS 3 6.804 -0.300 -5.176 15 HB3 HIS 3 3HB HIS 3 8.204 -1.069 -4.434 16 HD1 HIS 3 HD1 HIS 3 10.180 -1.631 -5.946 17 HD2 HIS 3 HD2 HIS 3 6.922 -0.070 -7.996 18 HE1 HIS 3 HE1 HIS 3 11.024 -1.118 -8.259 19 H ILE 4 H ILE 4 6.655 -4.853 -5.970 20 HA ILE 4 HA ILE 4 9.251 -5.570 -4.828 21 HB ILE 4 HB ILE 4 6.722 -7.134 -4.295 22 HG12 ILE 4 2HG1 ILE 4 6.971 -5.096 -2.908 23 HG13 ILE 4 3HG1 ILE 4 7.089 -6.571 -1.955 24 HG21 ILE 4 1HG2 ILE 4 9.618 -7.732 -3.870 25 HG22 ILE 4 2HG2 ILE 4 8.411 -8.393 -2.769 26 HG23 ILE 4 3HG2 ILE 4 8.337 -8.773 -4.489 27 HD11 ILE 4 3HD1 ILE 4 9.686 -5.735 -2.861 28 HD12 ILE 4 1HD1 ILE 4 8.868 -4.436 -1.994 29 HD13 ILE 4 2HD1 ILE 4 9.097 -6.005 -1.221 30 H ARG 5 H ARG 5 10.342 -7.146 -5.936 31 HA ARG 5 HA ARG 5 9.266 -7.828 -8.550 32 HB2 ARG 5 2HB ARG 5 11.481 -8.421 -9.161 33 HB3 ARG 5 3HB ARG 5 11.617 -6.962 -8.189 34 HG2 ARG 5 2HG ARG 5 12.047 -8.542 -6.221 35 HG3 ARG 5 3HG ARG 5 12.316 -9.778 -7.452 36 HD2 ARG 5 2HD ARG 5 14.434 -8.826 -6.864 37 HD3 ARG 5 3HD ARG 5 14.014 -8.284 -8.488 38 HE ARG 5 HE ARG 5 13.234 -6.459 -6.403 39 HH11 ARG 5 1HH1 ARG 5 15.782 -7.436 -8.566 40 HH12 ARG 5 2HH1 ARG 5 16.575 -5.896 -8.536 41 HH21 ARG 5 1HH2 ARG 5 14.270 -4.427 -6.355 42 HH22 ARG 5 2HH2 ARG 5 15.715 -4.186 -7.277 43 H ARG 6 H ARG 6 9.924 -9.318 -5.491 44 HA ARG 6 HA ARG 6 9.558 -12.001 -6.595 45 HB2 ARG 6 2HB ARG 6 10.614 -10.898 -4.036 46 HB3 ARG 6 3HB ARG 6 9.890 -12.500 -4.003 47 HG2 ARG 6 2HG ARG 6 11.975 -11.837 -6.036 48 HG3 ARG 6 3HG ARG 6 12.434 -12.255 -4.385 49 HD2 ARG 6 2HD ARG 6 11.325 -14.384 -4.562 50 HD3 ARG 6 3HD ARG 6 10.677 -13.957 -6.146 51 HE ARG 6 HE ARG 6 13.520 -13.838 -6.110 52 HH11 ARG 6 1HH1 ARG 6 10.825 -16.034 -6.285 53 HH12 ARG 6 2HH1 ARG 6 11.708 -17.257 -7.138 54 HH21 ARG 6 1HH2 ARG 6 14.694 -15.439 -7.232 55 HH22 ARG 6 2HH2 ARG 6 13.909 -16.917 -7.676 56 H LYS 7 H LYS 7 7.543 -12.699 -6.806 57 HA LYS 7 HA LYS 7 5.521 -11.808 -4.862 58 HB2 LYS 7 2HB LYS 7 3.855 -12.428 -6.583 59 HB3 LYS 7 3HB LYS 7 4.973 -11.190 -7.141 60 HG2 LYS 7 2HG LYS 7 5.029 -12.509 -8.968 61 HG3 LYS 7 3HG LYS 7 6.265 -13.351 -8.029 62 HD2 LYS 7 2HD LYS 7 4.757 -14.991 -8.897 63 HD3 LYS 7 3HD LYS 7 4.467 -14.856 -7.161 64 HE2 LYS 7 2HE LYS 7 2.444 -13.768 -7.455 65 HE3 LYS 7 3HE LYS 7 2.860 -13.218 -9.077 66 HZ1 LYS 7 3HZ LYS 7 1.697 -14.934 -9.825 67 HZ2 LYS 7 1HZ LYS 7 1.521 -15.593 -8.277 68 HZ3 LYS 7 2HZ LYS 7 2.886 -15.964 -9.205 69 HA PRO 8 HA PRO 8 5.039 -15.869 -3.266 70 HB2 PRO 8 2HB PRO 8 2.383 -15.902 -2.704 71 HB3 PRO 8 3HB PRO 8 3.553 -14.973 -1.760 72 HG2 PRO 8 2HG PRO 8 1.708 -14.050 -3.930 73 HG3 PRO 8 3HG PRO 8 2.092 -13.274 -2.382 74 HD2 PRO 8 2HD PRO 8 3.217 -12.498 -4.720 75 HD3 PRO 8 3HD PRO 8 4.075 -12.400 -3.169 76 H LYS 9 H LYS 9 4.778 -17.865 -4.078 77 HA LYS 9 HA LYS 9 2.762 -18.318 -6.158 78 HB2 LYS 9 2HB LYS 9 4.989 -17.839 -7.217 79 HB3 LYS 9 3HB LYS 9 5.620 -19.267 -6.408 80 HG2 LYS 9 2HG LYS 9 3.288 -20.085 -7.741 81 HG3 LYS 9 3HG LYS 9 4.183 -19.067 -8.871 82 HD2 LYS 9 2HD LYS 9 6.107 -20.434 -8.728 83 HD3 LYS 9 3HD LYS 9 5.485 -21.289 -7.315 84 HE2 LYS 9 2HE LYS 9 3.799 -22.366 -8.629 85 HE3 LYS 9 3HE LYS 9 4.190 -21.376 -10.035 86 HZ1 LYS 9 3HZ LYS 9 6.442 -22.834 -9.010 87 HZ2 LYS 9 1HZ LYS 9 5.859 -22.719 -10.594 88 HZ3 LYS 9 2HZ LYS 9 5.184 -23.842 -9.525 89 H PHE 10 H PHE 10 5.223 -19.829 -4.084 90 HA PHE 10 HA PHE 10 3.281 -21.853 -3.306 91 HB2 PHE 10 2HB PHE 10 4.347 -22.941 -5.173 92 HB3 PHE 10 3HB PHE 10 5.945 -22.512 -4.572 93 HD1 PHE 10 HD2 PHE 10 2.963 -24.037 -2.932 94 HD2 PHE 10 HD1 PHE 10 7.068 -24.426 -3.987 95 HE1 PHE 10 HE2 PHE 10 3.071 -26.171 -1.712 96 HE2 PHE 10 HE1 PHE 10 7.182 -26.561 -2.769 97 HZ PHE 10 HZ PHE 10 5.182 -27.436 -1.628 98 H ARG 11 H ARG 11 3.347 -20.856 -1.270 99 HA ARG 11 HA ARG 11 5.825 -21.366 0.238 100 HB2 ARG 11 2HB ARG 11 5.308 -19.391 1.621 101 HB3 ARG 11 3HB ARG 11 5.573 -18.968 -0.065 102 HG2 ARG 11 2HG ARG 11 2.780 -19.485 0.753 103 HG3 ARG 11 3HG ARG 11 3.541 -18.018 1.373 104 HD2 ARG 11 2HD ARG 11 4.108 -17.345 -0.906 105 HD3 ARG 11 3HD ARG 11 3.368 -18.819 -1.530 106 HE ARG 11 HE ARG 11 2.016 -16.437 -0.634 107 HH11 ARG 11 1HH1 ARG 11 1.737 -19.852 -1.255 108 HH12 ARG 11 2HH1 ARG 11 0.018 -19.806 -1.466 109 HH21 ARG 11 1HH2 ARG 11 -0.247 -16.364 -0.909 110 HH22 ARG 11 2HH2 ARG 11 -1.110 -17.821 -1.270 111 H LYS 12 H LYS 12 5.615 -22.229 2.277 112 HA LYS 12 HA LYS 12 3.287 -23.758 2.797 113 HB2 LYS 12 2HB LYS 12 5.780 -23.168 4.372 114 HB3 LYS 12 3HB LYS 12 4.468 -24.112 5.064 115 HG2 LYS 12 2HG LYS 12 4.675 -25.733 3.245 116 HG3 LYS 12 3HG LYS 12 5.997 -24.786 2.558 117 HD2 LYS 12 2HD LYS 12 7.274 -25.118 4.648 118 HD3 LYS 12 3HD LYS 12 5.966 -26.134 5.259 119 HE2 LYS 12 2HE LYS 12 7.610 -26.660 2.784 120 HE3 LYS 12 3HE LYS 12 7.796 -27.473 4.337 121 HZ1 LYS 12 3HZ LYS 12 5.256 -27.960 3.933 122 HZ2 LYS 12 1HZ LYS 12 6.460 -28.954 3.281 123 HZ3 LYS 12 2HZ LYS 12 5.711 -27.787 2.312 124 H PHE 13 H PHE 13 4.758 -21.452 5.069 125 HA PHE 13 HA PHE 13 2.172 -20.908 6.231 126 HB2 PHE 13 2HB PHE 13 5.000 -20.259 6.897 127 HB3 PHE 13 3HB PHE 13 3.751 -19.193 7.533 128 HD1 PHE 13 HD2 PHE 13 4.789 -22.752 7.377 129 HD2 PHE 13 HD1 PHE 13 2.561 -19.773 9.445 130 HE1 PHE 13 HE2 PHE 13 4.375 -24.339 9.211 131 HE2 PHE 13 HE1 PHE 13 2.144 -21.355 11.282 132 HZ PHE 13 HZ PHE 13 3.050 -23.642 11.166 133 H LYS 14 H LYS 14 1.909 -18.424 6.864 134 HA LYS 14 HA LYS 14 2.374 -16.777 4.477 135 HB2 LYS 14 2HB LYS 14 -0.239 -17.445 5.768 136 HB3 LYS 14 3HB LYS 14 -0.028 -15.854 5.050 137 HG2 LYS 14 2HG LYS 14 0.729 -18.204 3.411 138 HG3 LYS 14 3HG LYS 14 -0.990 -17.911 3.687 139 HD2 LYS 14 2HD LYS 14 0.045 -15.411 3.059 140 HD3 LYS 14 3HD LYS 14 0.875 -16.516 1.961 141 HE2 LYS 14 2HE LYS 14 -1.116 -15.779 0.876 142 HE3 LYS 14 3HE LYS 14 -1.360 -17.458 1.354 143 HZ1 LYS 14 3HZ LYS 14 -2.316 -15.145 2.946 144 HZ2 LYS 14 1HZ LYS 14 -2.695 -16.777 3.178 145 HZ3 LYS 14 2HZ LYS 14 -3.272 -15.961 1.814 146 H LEU 15 H LEU 15 2.756 -14.633 4.861 147 HA LEU 15 HA LEU 15 3.510 -12.833 6.036 148 HB2 LEU 15 2HB LEU 15 1.023 -13.654 7.471 149 HB3 LEU 15 3HB LEU 15 2.002 -12.333 8.106 150 HG LEU 15 HG LEU 15 0.128 -11.515 6.768 151 HD11 LEU 15 1HD1 LEU 15 1.902 -10.542 4.883 152 HD12 LEU 15 2HD1 LEU 15 2.923 -10.938 6.265 153 HD13 LEU 15 3HD1 LEU 15 1.558 -9.839 6.463 154 HD21 LEU 15 3HD2 LEU 15 1.437 -12.819 4.392 155 HD22 LEU 15 1HD2 LEU 15 -0.108 -11.972 4.454 156 HD23 LEU 15 2HD2 LEU 15 0.075 -13.531 5.258 157 H TYR 16 H TYR 16 4.793 -15.312 6.636 158 HA TYR 16 HA TYR 16 5.122 -15.844 9.349 159 HB2 TYR 16 2HB TYR 16 7.462 -16.633 8.591 160 HB3 TYR 16 3HB TYR 16 6.052 -17.428 7.899 161 HD1 TYR 16 HD2 TYR 16 8.025 -14.338 7.132 162 HD2 TYR 16 HD1 TYR 16 6.300 -17.944 5.673 163 HE1 TYR 16 HE2 TYR 16 8.842 -13.808 4.873 164 HE2 TYR 16 HE1 TYR 16 7.113 -17.424 3.410 165 HH TYR 16 HH TYR 16 8.238 -15.999 2.140 166 H HIS 17 H HIS 17 7.568 -15.565 10.248 167 HA HIS 17 HA HIS 17 7.826 -12.695 10.642 168 HB2 HIS 17 2HB HIS 17 7.822 -14.192 12.600 169 HB3 HIS 17 3HB HIS 17 9.269 -14.989 11.989 170 HD1 HIS 17 HD1 HIS 17 10.889 -14.328 13.795 171 HD2 HIS 17 HD2 HIS 17 8.860 -11.076 12.192 172 HE1 HIS 17 HE1 HIS 17 12.013 -12.295 14.756 173 H GLU 18 H GLU 18 8.570 -12.582 8.307 174 HA GLU 18 HA GLU 18 11.466 -12.434 8.307 175 HB2 GLU 18 2HB GLU 18 10.241 -14.674 7.190 176 HB3 GLU 18 3HB GLU 18 10.591 -13.639 5.813 177 HG2 GLU 18 2HG GLU 18 12.845 -13.745 7.593 178 HG3 GLU 18 3HG GLU 18 12.337 -15.368 7.130 179 H GLY 19 H GLY 19 11.243 -10.213 8.128 180 HA2 GLY 19 2HA GLY 19 11.155 -8.234 6.962 181 HA3 GLY 19 3HA GLY 19 10.980 -9.187 5.495 182 H LYS 20 H LYS 20 9.592 -6.756 6.952 183 HA LYS 20 HA LYS 20 6.829 -7.652 6.888 184 HB2 LYS 20 2HB LYS 20 8.263 -5.212 7.798 185 HB3 LYS 20 3HB LYS 20 6.591 -5.017 7.289 186 HG2 LYS 20 2HG LYS 20 5.965 -6.815 8.896 187 HG3 LYS 20 3HG LYS 20 7.631 -6.798 9.480 188 HD2 LYS 20 2HD LYS 20 6.485 -5.403 10.968 189 HD3 LYS 20 3HD LYS 20 7.274 -4.287 9.851 190 HE2 LYS 20 2HE LYS 20 4.988 -3.590 10.255 191 HE3 LYS 20 3HE LYS 20 5.178 -4.107 8.580 192 HZ1 LYS 20 3HZ LYS 20 3.588 -5.599 8.872 193 HZ2 LYS 20 1HZ LYS 20 3.344 -5.037 10.449 194 HZ3 LYS 20 2HZ LYS 20 4.420 -6.310 10.161 195 H PHE 21 H PHE 21 6.441 -8.121 4.731 196 HA PHE 21 HA PHE 21 5.517 -6.041 3.111 197 HB2 PHE 21 2HB PHE 21 8.231 -6.064 2.988 198 HB3 PHE 21 3HB PHE 21 7.836 -7.160 1.667 199 HD1 PHE 21 HD1 PHE 21 5.452 -6.051 0.506 200 HD2 PHE 21 HD2 PHE 21 8.861 -4.048 2.083 201 HE1 PHE 21 HE1 PHE 21 4.992 -4.125 -0.955 202 HE2 PHE 21 HE2 PHE 21 8.406 -2.119 0.625 203 HZ PHE 21 HZ PHE 21 6.470 -2.156 -0.896 204 H TRP 22 H TRP 22 3.811 -7.140 2.397 205 HA TRP 22 HA TRP 22 4.292 -9.615 0.898 206 HB2 TRP 22 2HB TRP 22 2.470 -9.240 3.237 207 HB3 TRP 22 3HB TRP 22 1.965 -10.317 1.938 208 HD1 TRP 22 HD1 TRP 22 4.863 -9.905 4.465 209 HE1 TRP 22 HE1 TRP 22 5.858 -12.234 4.924 210 HE3 TRP 22 HE3 TRP 22 2.134 -12.631 1.109 211 HZ2 TRP 22 HZ2 TRP 22 5.530 -14.877 3.988 212 HZ3 TRP 22 HZ3 TRP 22 2.536 -15.053 0.953 213 HH2 TRP 22 HH2 TRP 22 4.199 -16.151 2.363 214 H CYS 23 H CYS 23 4.084 -8.132 -0.909 215 HA CYS 23 HA CYS 23 1.564 -8.206 -2.109 216 HB2 CYS 23 2HB CYS 23 0.855 -6.507 -0.561 217 HB3 CYS 23 3HB CYS 23 2.290 -5.540 -0.886 218 HA PRO 24 HA PRO 24 4.933 -7.619 -5.084 219 HB2 PRO 24 2HB PRO 24 3.691 -8.988 -7.073 220 HB3 PRO 24 3HB PRO 24 4.586 -9.784 -5.774 221 HG2 PRO 24 2HG PRO 24 1.637 -9.359 -6.058 222 HG3 PRO 24 3HG PRO 24 2.513 -10.805 -5.522 223 HD2 PRO 24 2HD PRO 24 1.333 -9.090 -3.789 224 HD3 PRO 24 3HD PRO 24 2.813 -9.986 -3.388 Start of MODEL 15 1 H1 THR 1 H THR 1 1.266 2.485 -4.057 2 HA THR 1 HA THR 1 2.624 2.019 -1.795 3 HB THR 1 HB THR 1 0.188 0.413 -2.594 4 HG1 THR 1 HG1 THR 1 0.412 2.962 -1.332 5 HG21 THR 1 3HG2 THR 1 1.582 0.914 0.000 6 HG22 THR 1 1HG2 THR 1 0.865 -0.572 -0.619 7 HG23 THR 1 2HG2 THR 1 -0.171 0.721 -0.016 8 H CYS 2 H CYS 2 1.554 -0.682 -3.873 9 HA CYS 2 HA CYS 2 3.472 -2.443 -2.577 10 HB2 CYS 2 2HB CYS 2 1.366 -2.955 -4.686 11 HB3 CYS 2 3HB CYS 2 2.417 -4.199 -4.016 12 H HIS 3 H HIS 3 5.493 -2.485 -3.286 13 HA HIS 3 HA HIS 3 5.975 -2.544 -6.176 14 HB2 HIS 3 2HB HIS 3 6.345 -0.214 -5.201 15 HB3 HIS 3 3HB HIS 3 7.707 -0.907 -4.326 16 HD1 HIS 3 HD1 HIS 3 9.211 -2.479 -6.296 17 HD2 HIS 3 HD2 HIS 3 7.329 1.071 -7.352 18 HE1 HIS 3 HE1 HIS 3 10.391 -1.683 -8.369 19 H ILE 4 H ILE 4 6.406 -4.747 -6.032 20 HA ILE 4 HA ILE 4 9.024 -5.383 -4.888 21 HB ILE 4 HB ILE 4 6.564 -7.077 -4.437 22 HG12 ILE 4 2HG1 ILE 4 6.697 -5.078 -2.983 23 HG13 ILE 4 3HG1 ILE 4 6.881 -6.575 -2.075 24 HG21 ILE 4 1HG2 ILE 4 8.268 -8.624 -4.673 25 HG22 ILE 4 2HG2 ILE 4 9.480 -7.549 -3.977 26 HG23 ILE 4 3HG2 ILE 4 8.280 -8.316 -2.937 27 HD11 ILE 4 3HD1 ILE 4 8.861 -5.949 -1.313 28 HD12 ILE 4 1HD1 ILE 4 9.436 -5.560 -2.934 29 HD13 ILE 4 2HD1 ILE 4 8.541 -4.358 -2.003 30 H ARG 5 H ARG 5 10.181 -6.920 -6.005 31 HA ARG 5 HA ARG 5 9.155 -7.563 -8.657 32 HB2 ARG 5 2HB ARG 5 11.400 -8.005 -9.283 33 HB3 ARG 5 3HB ARG 5 11.449 -6.565 -8.274 34 HG2 ARG 5 2HG ARG 5 11.951 -8.212 -6.350 35 HG3 ARG 5 3HG ARG 5 12.356 -9.342 -7.644 36 HD2 ARG 5 2HD ARG 5 13.808 -7.379 -8.538 37 HD3 ARG 5 3HD ARG 5 13.677 -6.767 -6.890 38 HE ARG 5 HE ARG 5 14.497 -9.497 -6.955 39 HH11 ARG 5 1HH1 ARG 5 15.618 -6.223 -7.333 40 HH12 ARG 5 2HH1 ARG 5 17.251 -6.593 -6.888 41 HH21 ARG 5 1HH2 ARG 5 16.643 -9.997 -6.368 42 HH22 ARG 5 2HH2 ARG 5 17.833 -8.740 -6.340 43 H ARG 6 H ARG 6 9.914 -9.091 -5.638 44 HA ARG 6 HA ARG 6 9.629 -11.755 -6.829 45 HB2 ARG 6 2HB ARG 6 11.550 -11.542 -5.400 46 HB3 ARG 6 3HB ARG 6 10.577 -10.851 -4.109 47 HG2 ARG 6 2HG ARG 6 11.156 -13.167 -3.645 48 HG3 ARG 6 3HG ARG 6 9.413 -12.970 -3.831 49 HD2 ARG 6 2HD ARG 6 9.560 -13.799 -6.123 50 HD3 ARG 6 3HD ARG 6 11.306 -13.975 -5.954 51 HE ARG 6 HE ARG 6 9.832 -15.427 -3.971 52 HH11 ARG 6 1HH1 ARG 6 11.050 -15.506 -7.231 53 HH12 ARG 6 2HH1 ARG 6 11.099 -17.236 -7.310 54 HH21 ARG 6 1HH2 ARG 6 9.892 -17.706 -4.063 55 HH22 ARG 6 2HH2 ARG 6 10.439 -18.486 -5.508 56 H LYS 7 H LYS 7 7.633 -12.531 -6.915 57 HA LYS 7 HA LYS 7 5.706 -11.747 -4.840 58 HB2 LYS 7 2HB LYS 7 3.970 -12.457 -6.423 59 HB3 LYS 7 3HB LYS 7 5.019 -11.234 -7.126 60 HG2 LYS 7 2HG LYS 7 4.871 -12.700 -8.865 61 HG3 LYS 7 3HG LYS 7 6.306 -13.327 -8.051 62 HD2 LYS 7 2HD LYS 7 5.309 -15.285 -7.708 63 HD3 LYS 7 3HD LYS 7 3.950 -14.496 -6.905 64 HE2 LYS 7 2HE LYS 7 2.746 -14.286 -8.897 65 HE3 LYS 7 3HE LYS 7 4.176 -14.544 -9.895 66 HZ1 LYS 7 3HZ LYS 7 4.061 -16.843 -8.542 67 HZ2 LYS 7 1HZ LYS 7 3.349 -16.608 -10.059 68 HZ3 LYS 7 2HZ LYS 7 2.413 -16.478 -8.657 69 HA PRO 8 HA PRO 8 5.567 -15.785 -3.121 70 HB2 PRO 8 2HB PRO 8 2.962 -15.949 -2.378 71 HB3 PRO 8 3HB PRO 8 4.138 -14.932 -1.538 72 HG2 PRO 8 2HG PRO 8 2.103 -14.169 -3.597 73 HG3 PRO 8 3HG PRO 8 2.545 -13.333 -2.097 74 HD2 PRO 8 2HD PRO 8 3.465 -12.558 -4.523 75 HD3 PRO 8 3HD PRO 8 4.418 -12.373 -3.037 76 H LYS 9 H LYS 9 5.468 -17.765 -3.973 77 HA LYS 9 HA LYS 9 3.328 -18.385 -5.892 78 HB2 LYS 9 2HB LYS 9 5.596 -17.844 -6.963 79 HB3 LYS 9 3HB LYS 9 6.155 -19.357 -6.261 80 HG2 LYS 9 2HG LYS 9 3.713 -19.274 -7.989 81 HG3 LYS 9 3HG LYS 9 5.330 -19.353 -8.692 82 HD2 LYS 9 2HD LYS 9 5.428 -21.301 -6.767 83 HD3 LYS 9 3HD LYS 9 3.763 -21.420 -7.341 84 HE2 LYS 9 2HE LYS 9 5.196 -22.892 -8.626 85 HE3 LYS 9 3HE LYS 9 4.591 -21.591 -9.649 86 HZ1 LYS 9 3HZ LYS 9 6.639 -20.711 -9.898 87 HZ2 LYS 9 1HZ LYS 9 7.138 -22.294 -9.566 88 HZ3 LYS 9 2HZ LYS 9 7.149 -21.129 -8.340 89 H PHE 10 H PHE 10 6.079 -19.967 -4.254 90 HA PHE 10 HA PHE 10 4.206 -22.049 -3.343 91 HB2 PHE 10 2HB PHE 10 6.455 -22.351 -5.064 92 HB3 PHE 10 3HB PHE 10 6.840 -23.128 -3.532 93 HD1 PHE 10 HD2 PHE 10 3.948 -22.879 -5.881 94 HD2 PHE 10 HD1 PHE 10 6.322 -25.348 -3.354 95 HE1 PHE 10 HE2 PHE 10 2.613 -24.836 -6.545 96 HE2 PHE 10 HE1 PHE 10 4.991 -27.310 -4.014 97 HZ PHE 10 HZ PHE 10 3.134 -27.055 -5.611 98 H ARG 11 H ARG 11 3.960 -21.225 -1.290 99 HA ARG 11 HA ARG 11 6.283 -21.537 0.457 100 HB2 ARG 11 2HB ARG 11 5.379 -19.413 1.680 101 HB3 ARG 11 3HB ARG 11 6.431 -19.235 0.282 102 HG2 ARG 11 2HG ARG 11 4.610 -17.673 0.131 103 HG3 ARG 11 3HG ARG 11 4.445 -18.893 -1.134 104 HD2 ARG 11 2HD ARG 11 2.643 -19.911 -0.096 105 HD3 ARG 11 3HD ARG 11 3.064 -19.266 1.490 106 HE ARG 11 HE ARG 11 1.895 -17.350 0.994 107 HH11 ARG 11 1HH1 ARG 11 2.324 -19.241 -1.898 108 HH12 ARG 11 2HH1 ARG 11 1.239 -18.278 -2.845 109 HH21 ARG 11 1HH2 ARG 11 0.464 -16.075 -0.243 110 HH22 ARG 11 2HH2 ARG 11 0.182 -16.477 -1.903 111 H LYS 12 H LYS 12 5.727 -21.820 2.703 112 HA LYS 12 HA LYS 12 3.093 -23.063 3.007 113 HB2 LYS 12 2HB LYS 12 5.653 -23.288 4.586 114 HB3 LYS 12 3HB LYS 12 4.133 -23.978 5.140 115 HG2 LYS 12 2HG LYS 12 5.295 -24.648 2.457 116 HG3 LYS 12 3HG LYS 12 5.747 -25.519 3.924 117 HD2 LYS 12 2HD LYS 12 3.165 -25.751 4.239 118 HD3 LYS 12 3HD LYS 12 3.118 -25.423 2.505 119 HE2 LYS 12 2HE LYS 12 4.467 -27.328 2.031 120 HE3 LYS 12 3HE LYS 12 4.830 -27.571 3.739 121 HZ1 LYS 12 3HZ LYS 12 2.873 -28.830 2.376 122 HZ2 LYS 12 1HZ LYS 12 2.015 -27.583 3.132 123 HZ3 LYS 12 2HZ LYS 12 2.926 -28.665 4.059 124 H PHE 13 H PHE 13 5.213 -21.448 5.360 125 HA PHE 13 HA PHE 13 3.068 -20.454 6.896 126 HB2 PHE 13 2HB PHE 13 5.928 -19.470 6.815 127 HB3 PHE 13 3HB PHE 13 4.764 -19.169 8.101 128 HD1 PHE 13 HD2 PHE 13 3.656 -21.439 9.029 129 HD2 PHE 13 HD1 PHE 13 7.484 -21.099 7.199 130 HE1 PHE 13 HE2 PHE 13 4.378 -23.498 10.165 131 HE2 PHE 13 HE1 PHE 13 8.212 -23.158 8.332 132 HZ PHE 13 HZ PHE 13 6.659 -24.360 9.818 133 H LYS 14 H LYS 14 1.772 -18.783 6.557 134 HA LYS 14 HA LYS 14 2.430 -16.875 4.447 135 HB2 LYS 14 2HB LYS 14 -0.097 -17.628 5.882 136 HB3 LYS 14 3HB LYS 14 -0.001 -16.117 4.987 137 HG2 LYS 14 2HG LYS 14 0.863 -18.572 3.580 138 HG3 LYS 14 3HG LYS 14 -0.863 -18.381 3.898 139 HD2 LYS 14 2HD LYS 14 0.847 -16.283 2.569 140 HD3 LYS 14 3HD LYS 14 -0.101 -17.483 1.688 141 HE2 LYS 14 2HE LYS 14 -2.074 -16.599 3.124 142 HE3 LYS 14 3HE LYS 14 -1.035 -15.197 3.380 143 HZ1 LYS 14 3HZ LYS 14 -2.646 -15.100 1.448 144 HZ2 LYS 14 1HZ LYS 14 -1.640 -16.217 0.671 145 HZ3 LYS 14 2HZ LYS 14 -1.038 -14.699 1.111 146 H LEU 15 H LEU 15 2.769 -14.734 4.772 147 HA LEU 15 HA LEU 15 3.435 -12.859 5.882 148 HB2 LEU 15 2HB LEU 15 0.960 -13.721 7.311 149 HB3 LEU 15 3HB LEU 15 1.878 -12.345 7.918 150 HG LEU 15 HG LEU 15 -0.014 -11.663 6.512 151 HD11 LEU 15 1HD1 LEU 15 1.386 -9.936 6.294 152 HD12 LEU 15 2HD1 LEU 15 1.697 -10.575 4.680 153 HD13 LEU 15 3HD1 LEU 15 2.780 -10.978 6.012 154 HD21 LEU 15 3HD2 LEU 15 -0.398 -12.406 4.409 155 HD22 LEU 15 1HD2 LEU 15 0.482 -13.816 4.999 156 HD23 LEU 15 2HD2 LEU 15 1.317 -12.593 4.042 157 H TYR 16 H TYR 16 4.823 -15.241 6.590 158 HA TYR 16 HA TYR 16 5.132 -15.671 9.322 159 HB2 TYR 16 2HB TYR 16 7.525 -16.358 8.626 160 HB3 TYR 16 3HB TYR 16 6.169 -17.247 7.940 161 HD1 TYR 16 HD2 TYR 16 7.986 -14.082 7.101 162 HD2 TYR 16 HD1 TYR 16 6.485 -17.822 5.737 163 HE1 TYR 16 HE2 TYR 16 8.810 -13.581 4.838 164 HE2 TYR 16 HE1 TYR 16 7.306 -17.332 3.471 165 HH TYR 16 HH TYR 16 9.127 -15.870 2.449 166 H HIS 17 H HIS 17 7.536 -15.237 10.261 167 HA HIS 17 HA HIS 17 7.640 -12.348 10.569 168 HB2 HIS 17 2HB HIS 17 7.685 -13.785 12.570 169 HB3 HIS 17 3HB HIS 17 9.180 -14.523 12.003 170 HD1 HIS 17 HD1 HIS 17 8.942 -10.878 11.507 171 HD2 HIS 17 HD2 HIS 17 10.369 -13.496 14.401 172 HE1 HIS 17 HE1 HIS 17 10.402 -9.488 13.010 173 H GLU 18 H GLU 18 8.415 -12.259 8.244 174 HA GLU 18 HA GLU 18 11.298 -11.958 8.281 175 HB2 GLU 18 2HB GLU 18 10.212 -14.290 7.212 176 HB3 GLU 18 3HB GLU 18 10.523 -13.276 5.810 177 HG2 GLU 18 2HG GLU 18 12.839 -13.049 6.431 178 HG3 GLU 18 3HG GLU 18 12.558 -13.941 7.924 179 H GLY 19 H GLY 19 10.975 -9.759 8.031 180 HA2 GLY 19 2HA GLY 19 10.793 -7.818 6.814 181 HA3 GLY 19 3HA GLY 19 10.699 -8.818 5.371 182 H LYS 20 H LYS 20 9.102 -6.533 7.048 183 HA LYS 20 HA LYS 20 6.417 -7.560 6.822 184 HB2 LYS 20 2HB LYS 20 7.685 -5.054 7.792 185 HB3 LYS 20 3HB LYS 20 6.018 -4.943 7.243 186 HG2 LYS 20 2HG LYS 20 5.519 -6.871 8.805 187 HG3 LYS 20 3HG LYS 20 7.128 -6.609 9.481 188 HD2 LYS 20 2HD LYS 20 5.258 -4.296 9.222 189 HD3 LYS 20 3HD LYS 20 5.030 -5.448 10.541 190 HE2 LYS 20 2HE LYS 20 7.323 -5.068 11.279 191 HE3 LYS 20 3HE LYS 20 7.579 -3.948 9.942 192 HZ1 LYS 20 3HZ LYS 20 6.123 -3.562 12.433 193 HZ2 LYS 20 1HZ LYS 20 5.449 -2.850 11.055 194 HZ3 LYS 20 2HZ LYS 20 7.026 -2.458 11.524 195 H PHE 21 H PHE 21 6.105 -8.028 4.650 196 HA PHE 21 HA PHE 21 5.074 -5.993 3.038 197 HB2 PHE 21 2HB PHE 21 7.790 -5.840 2.967 198 HB3 PHE 21 3HB PHE 21 7.485 -6.932 1.619 199 HD1 PHE 21 HD2 PHE 21 5.197 -6.023 0.286 200 HD2 PHE 21 HD1 PHE 21 8.161 -3.698 2.267 201 HE1 PHE 21 HE2 PHE 21 4.640 -4.100 -1.144 202 HE2 PHE 21 HE1 PHE 21 7.608 -1.771 0.840 203 HZ PHE 21 HZ PHE 21 5.847 -1.971 -0.869 204 H TRP 22 H TRP 22 3.447 -7.235 2.352 205 HA TRP 22 HA TRP 22 4.126 -9.644 0.813 206 HB2 TRP 22 2HB TRP 22 2.239 -9.403 3.117 207 HB3 TRP 22 3HB TRP 22 1.822 -10.496 1.800 208 HD1 TRP 22 HD1 TRP 22 4.719 -9.917 4.307 209 HE1 TRP 22 HE1 TRP 22 5.814 -12.195 4.793 210 HE3 TRP 22 HE3 TRP 22 2.041 -12.815 1.056 211 HZ2 TRP 22 HZ2 TRP 22 5.575 -14.867 3.914 212 HZ3 TRP 22 HZ3 TRP 22 2.536 -15.222 0.939 213 HH2 TRP 22 HH2 TRP 22 4.267 -16.225 2.339 214 H CYS 23 H CYS 23 3.862 -8.169 -0.991 215 HA CYS 23 HA CYS 23 1.377 -8.394 -2.245 216 HB2 CYS 23 2HB CYS 23 0.531 -6.749 -0.707 217 HB3 CYS 23 3HB CYS 23 1.911 -5.694 -0.996 218 HA PRO 24 HA PRO 24 4.765 -7.587 -5.146 219 HB2 PRO 24 2HB PRO 24 3.653 -9.022 -7.164 220 HB3 PRO 24 3HB PRO 24 4.569 -9.766 -5.848 221 HG2 PRO 24 2HG PRO 24 1.605 -9.525 -6.194 222 HG3 PRO 24 3HG PRO 24 2.558 -10.916 -5.643 223 HD2 PRO 24 2HD PRO 24 1.238 -9.285 -3.932 224 HD3 PRO 24 3HD PRO 24 2.762 -10.088 -3.502 Start of MODEL 16 1 H1 THR 1 H THR 1 3.682 1.715 0.661 2 HA THR 1 HA THR 1 3.403 1.207 -2.008 3 HB THR 1 HB THR 1 6.131 1.104 -0.746 4 HG1 THR 1 HG1 THR 1 5.969 3.155 -0.157 5 HG21 THR 1 3HG2 THR 1 5.158 2.525 -3.222 6 HG22 THR 1 1HG2 THR 1 5.824 0.893 -3.230 7 HG23 THR 1 2HG2 THR 1 6.828 2.252 -2.725 8 H CYS 2 H CYS 2 3.634 -0.480 -3.348 9 HA CYS 2 HA CYS 2 4.784 -2.962 -2.250 10 HB2 CYS 2 2HB CYS 2 2.457 -2.672 -4.162 11 HB3 CYS 2 3HB CYS 2 3.177 -4.202 -3.671 12 H HIS 3 H HIS 3 6.366 -3.895 -3.391 13 HA HIS 3 HA HIS 3 7.176 -2.635 -5.893 14 HB2 HIS 3 2HB HIS 3 8.722 -3.225 -3.870 15 HB3 HIS 3 3HB HIS 3 8.698 -4.847 -4.554 16 HD1 HIS 3 HD1 HIS 3 8.693 -3.686 -7.578 17 HD2 HIS 3 HD2 HIS 3 11.409 -2.853 -4.548 18 HE1 HIS 3 HE1 HIS 3 10.795 -2.950 -8.744 19 H ILE 4 H ILE 4 6.811 -3.505 -7.822 20 HA ILE 4 HA ILE 4 5.653 -6.179 -7.964 21 HB ILE 4 HB ILE 4 5.975 -4.148 -10.176 22 HG12 ILE 4 2HG1 ILE 4 3.355 -4.095 -9.693 23 HG13 ILE 4 3HG1 ILE 4 3.893 -4.532 -8.075 24 HG21 ILE 4 1HG2 ILE 4 5.278 -6.875 -10.222 25 HG22 ILE 4 2HG2 ILE 4 3.794 -5.966 -10.506 26 HG23 ILE 4 3HG2 ILE 4 5.197 -5.712 -11.545 27 HD11 ILE 4 3HD1 ILE 4 3.584 -2.028 -8.793 28 HD12 ILE 4 1HD1 ILE 4 4.893 -2.517 -7.717 29 HD13 ILE 4 2HD1 ILE 4 5.213 -2.245 -9.431 30 H ARG 5 H ARG 5 7.834 -7.069 -7.399 31 HA ARG 5 HA ARG 5 9.418 -7.441 -9.855 32 HB2 ARG 5 2HB ARG 5 11.381 -7.806 -8.254 33 HB3 ARG 5 3HB ARG 5 10.831 -6.152 -8.490 34 HG2 ARG 5 2HG ARG 5 9.899 -6.020 -6.378 35 HG3 ARG 5 3HG ARG 5 9.777 -7.773 -6.213 36 HD2 ARG 5 2HD ARG 5 11.547 -6.861 -4.794 37 HD3 ARG 5 3HD ARG 5 12.200 -7.936 -6.029 38 HE ARG 5 HE ARG 5 12.408 -5.492 -7.167 39 HH11 ARG 5 1HH1 ARG 5 13.406 -6.794 -4.097 40 HH12 ARG 5 2HH1 ARG 5 14.776 -5.744 -3.950 41 HH21 ARG 5 1HH2 ARG 5 14.209 -4.105 -6.985 42 HH22 ARG 5 2HH2 ARG 5 15.232 -4.214 -5.593 43 H ARG 6 H ARG 6 8.259 -8.831 -6.833 44 HA ARG 6 HA ARG 6 8.217 -11.457 -8.052 45 HB2 ARG 6 2HB ARG 6 10.432 -11.549 -7.181 46 HB3 ARG 6 3HB ARG 6 9.938 -10.814 -5.662 47 HG2 ARG 6 2HG ARG 6 8.836 -12.776 -4.956 48 HG3 ARG 6 3HG ARG 6 8.920 -13.489 -6.568 49 HD2 ARG 6 2HD ARG 6 11.163 -13.996 -6.371 50 HD3 ARG 6 3HD ARG 6 11.441 -12.754 -5.151 51 HE ARG 6 HE ARG 6 10.834 -14.254 -3.522 52 HH11 ARG 6 1HH1 ARG 6 9.957 -15.509 -6.648 53 HH12 ARG 6 2HH1 ARG 6 9.556 -17.084 -6.048 54 HH21 ARG 6 1HH2 ARG 6 10.310 -16.323 -2.720 55 HH22 ARG 6 2HH2 ARG 6 9.756 -17.546 -3.813 56 H LYS 7 H LYS 7 6.525 -12.624 -7.353 57 HA LYS 7 HA LYS 7 5.013 -11.565 -5.060 58 HB2 LYS 7 2HB LYS 7 3.130 -12.975 -6.184 59 HB3 LYS 7 3HB LYS 7 3.562 -11.410 -6.860 60 HG2 LYS 7 2HG LYS 7 4.958 -13.807 -7.913 61 HG3 LYS 7 3HG LYS 7 3.271 -13.556 -8.368 62 HD2 LYS 7 2HD LYS 7 4.205 -11.086 -8.804 63 HD3 LYS 7 3HD LYS 7 5.688 -12.001 -9.082 64 HE2 LYS 7 2HE LYS 7 3.054 -12.622 -10.407 65 HE3 LYS 7 3HE LYS 7 4.296 -11.598 -11.125 66 HZ1 LYS 7 3HZ LYS 7 4.214 -14.478 -10.838 67 HZ2 LYS 7 1HZ LYS 7 5.712 -13.771 -10.493 68 HZ3 LYS 7 2HZ LYS 7 4.990 -13.527 -12.002 69 HA PRO 8 HA PRO 8 5.494 -15.281 -2.777 70 HB2 PRO 8 2HB PRO 8 3.055 -15.562 -1.619 71 HB3 PRO 8 3HB PRO 8 4.213 -14.319 -1.131 72 HG2 PRO 8 2HG PRO 8 1.834 -14.089 -2.934 73 HG3 PRO 8 3HG PRO 8 2.384 -12.984 -1.661 74 HD2 PRO 8 2HD PRO 8 2.858 -12.530 -4.288 75 HD3 PRO 8 3HD PRO 8 3.983 -12.020 -3.013 76 H LYS 9 H LYS 9 5.509 -17.371 -3.313 77 HA LYS 9 HA LYS 9 3.168 -18.694 -4.349 78 HB2 LYS 9 2HB LYS 9 4.133 -19.412 -6.448 79 HB3 LYS 9 3HB LYS 9 4.134 -17.654 -6.381 80 HG2 LYS 9 2HG LYS 9 6.296 -17.662 -6.836 81 HG3 LYS 9 3HG LYS 9 6.600 -18.513 -5.320 82 HD2 LYS 9 2HD LYS 9 5.928 -20.627 -6.671 83 HD3 LYS 9 3HD LYS 9 6.264 -19.620 -8.082 84 HE2 LYS 9 2HE LYS 9 8.414 -19.245 -6.311 85 HE3 LYS 9 3HE LYS 9 8.094 -20.978 -6.335 86 HZ1 LYS 9 3HZ LYS 9 9.458 -19.496 -8.231 87 HZ2 LYS 9 1HZ LYS 9 7.995 -19.935 -8.960 88 HZ3 LYS 9 2HZ LYS 9 9.016 -21.127 -8.327 89 H PHE 10 H PHE 10 3.244 -20.907 -4.095 90 HA PHE 10 HA PHE 10 3.861 -22.846 -3.070 91 HB2 PHE 10 2HB PHE 10 5.410 -22.697 -5.111 92 HB3 PHE 10 3HB PHE 10 6.667 -22.224 -3.972 93 HD1 PHE 10 HD1 PHE 10 4.244 -24.922 -4.744 94 HD2 PHE 10 HD2 PHE 10 7.858 -23.832 -2.779 95 HE1 PHE 10 HE1 PHE 10 4.694 -27.293 -4.267 96 HE2 PHE 10 HE2 PHE 10 8.315 -26.202 -2.299 97 HZ PHE 10 HZ PHE 10 6.733 -27.936 -3.043 98 H ARG 11 H ARG 11 3.532 -21.159 -1.146 99 HA ARG 11 HA ARG 11 5.942 -21.333 0.542 100 HB2 ARG 11 2HB ARG 11 5.167 -19.352 1.728 101 HB3 ARG 11 3HB ARG 11 5.327 -19.011 0.011 102 HG2 ARG 11 2HG ARG 11 2.674 -19.851 1.068 103 HG3 ARG 11 3HG ARG 11 3.236 -18.203 1.359 104 HD2 ARG 11 2HD ARG 11 3.781 -18.372 -1.247 105 HD3 ARG 11 3HD ARG 11 2.457 -19.534 -1.172 106 HE ARG 11 HE ARG 11 1.898 -17.012 0.105 107 HH11 ARG 11 1HH1 ARG 11 1.807 -18.824 -2.866 108 HH12 ARG 11 2HH1 ARG 11 0.557 -17.853 -3.572 109 HH21 ARG 11 1HH2 ARG 11 0.252 -15.727 -0.813 110 HH22 ARG 11 2HH2 ARG 11 -0.326 -16.091 -2.403 111 H LYS 12 H LYS 12 5.706 -21.998 2.673 112 HA LYS 12 HA LYS 12 3.443 -23.714 3.166 113 HB2 LYS 12 2HB LYS 12 5.568 -24.564 3.832 114 HB3 LYS 12 3HB LYS 12 5.950 -23.097 4.724 115 HG2 LYS 12 2HG LYS 12 4.729 -23.711 6.533 116 HG3 LYS 12 3HG LYS 12 3.548 -24.604 5.573 117 HD2 LYS 12 2HD LYS 12 4.651 -26.321 6.642 118 HD3 LYS 12 3HD LYS 12 5.563 -26.214 5.134 119 HE2 LYS 12 2HE LYS 12 7.015 -24.515 6.523 120 HE3 LYS 12 3HE LYS 12 6.335 -25.391 7.893 121 HZ1 LYS 12 3HZ LYS 12 7.342 -27.097 5.803 122 HZ2 LYS 12 1HZ LYS 12 7.600 -27.165 7.474 123 HZ3 LYS 12 2HZ LYS 12 8.533 -26.130 6.516 124 H PHE 13 H PHE 13 4.983 -21.407 5.392 125 HA PHE 13 HA PHE 13 2.401 -20.863 6.600 126 HB2 PHE 13 2HB PHE 13 5.245 -20.222 7.307 127 HB3 PHE 13 3HB PHE 13 3.929 -19.339 8.075 128 HD1 PHE 13 HD1 PHE 13 2.095 -20.748 9.210 129 HD2 PHE 13 HD2 PHE 13 5.938 -22.253 8.168 130 HE1 PHE 13 HE1 PHE 13 1.817 -22.574 10.836 131 HE2 PHE 13 HE2 PHE 13 5.666 -24.081 9.792 132 HZ PHE 13 HZ PHE 13 3.603 -24.244 11.128 133 H LYS 14 H LYS 14 1.378 -18.883 6.657 134 HA LYS 14 HA LYS 14 2.204 -17.005 4.565 135 HB2 LYS 14 2HB LYS 14 -0.419 -17.481 5.973 136 HB3 LYS 14 3HB LYS 14 -0.142 -16.074 4.955 137 HG2 LYS 14 2HG LYS 14 0.232 -18.889 3.975 138 HG3 LYS 14 3HG LYS 14 -1.304 -18.027 3.869 139 HD2 LYS 14 2HD LYS 14 1.125 -16.663 2.837 140 HD3 LYS 14 3HD LYS 14 0.469 -18.002 1.892 141 HE2 LYS 14 2HE LYS 14 -1.223 -15.712 2.861 142 HE3 LYS 14 3HE LYS 14 -0.375 -15.679 1.315 143 HZ1 LYS 14 3HZ LYS 14 -1.572 -17.898 0.913 144 HZ2 LYS 14 1HZ LYS 14 -2.462 -16.467 0.766 145 HZ3 LYS 14 2HZ LYS 14 -2.605 -17.412 2.162 146 H LEU 15 H LEU 15 2.603 -14.866 4.955 147 HA LEU 15 HA LEU 15 3.377 -13.075 6.132 148 HB2 LEU 15 2HB LEU 15 0.897 -13.886 7.591 149 HB3 LEU 15 3HB LEU 15 1.885 -12.562 8.206 150 HG LEU 15 HG LEU 15 0.013 -11.730 6.892 151 HD11 LEU 15 1HD1 LEU 15 1.421 -10.072 6.461 152 HD12 LEU 15 2HD1 LEU 15 1.806 -10.868 4.936 153 HD13 LEU 15 3HD1 LEU 15 2.789 -11.182 6.366 154 HD21 LEU 15 3HD2 LEU 15 0.115 -13.874 5.390 155 HD22 LEU 15 1HD2 LEU 15 1.180 -12.877 4.399 156 HD23 LEU 15 2HD2 LEU 15 -0.468 -12.345 4.731 157 H TYR 16 H TYR 16 4.608 -15.603 6.733 158 HA TYR 16 HA TYR 16 4.959 -16.102 9.451 159 HB2 TYR 16 2HB TYR 16 7.258 -16.984 8.674 160 HB3 TYR 16 3HB TYR 16 5.813 -17.738 8.009 161 HD1 TYR 16 HD1 TYR 16 7.888 -14.732 7.178 162 HD2 TYR 16 HD2 TYR 16 6.010 -18.288 5.786 163 HE1 TYR 16 HE1 TYR 16 8.697 -14.262 4.904 164 HE2 TYR 16 HE2 TYR 16 6.815 -17.828 3.508 165 HH TYR 16 HH TYR 16 8.360 -14.809 2.680 166 H HIS 17 H HIS 17 7.446 -15.892 10.286 167 HA HIS 17 HA HIS 17 7.806 -13.018 10.607 168 HB2 HIS 17 2HB HIS 17 7.737 -14.437 12.617 169 HB3 HIS 17 3HB HIS 17 9.141 -15.328 12.035 170 HD1 HIS 17 HD1 HIS 17 11.285 -14.554 12.977 171 HD2 HIS 17 HD2 HIS 17 8.440 -11.526 12.938 172 HE1 HIS 17 HE1 HIS 17 12.389 -12.580 14.077 173 H GLU 18 H GLU 18 8.558 -12.999 8.279 174 HA GLU 18 HA GLU 18 11.459 -13.003 8.277 175 HB2 GLU 18 2HB GLU 18 10.147 -15.207 7.232 176 HB3 GLU 18 3HB GLU 18 10.467 -14.216 5.816 177 HG2 GLU 18 2HG GLU 18 12.848 -14.124 6.463 178 HG3 GLU 18 3HG GLU 18 12.494 -15.210 7.805 179 H GLY 19 H GLY 19 11.417 -10.791 8.026 180 HA2 GLY 19 2HA GLY 19 11.361 -8.808 6.872 181 HA3 GLY 19 3HA GLY 19 11.249 -9.776 5.409 182 H LYS 20 H LYS 20 9.603 -7.721 7.566 183 HA LYS 20 HA LYS 20 6.931 -8.454 7.026 184 HB2 LYS 20 2HB LYS 20 8.103 -6.715 8.737 185 HB3 LYS 20 3HB LYS 20 7.502 -5.594 7.522 186 HG2 LYS 20 2HG LYS 20 5.637 -7.664 8.543 187 HG3 LYS 20 3HG LYS 20 6.049 -6.314 9.604 188 HD2 LYS 20 2HD LYS 20 5.449 -4.791 7.669 189 HD3 LYS 20 3HD LYS 20 4.765 -6.217 6.883 190 HE2 LYS 20 2HE LYS 20 3.965 -5.284 9.633 191 HE3 LYS 20 3HE LYS 20 3.129 -4.795 8.160 192 HZ1 LYS 20 3HZ LYS 20 3.509 -7.648 8.471 193 HZ2 LYS 20 1HZ LYS 20 2.147 -6.785 7.958 194 HZ3 LYS 20 2HZ LYS 20 2.477 -6.941 9.609 195 H PHE 21 H PHE 21 6.659 -8.784 4.822 196 HA PHE 21 HA PHE 21 5.884 -6.528 3.308 197 HB2 PHE 21 2HB PHE 21 8.576 -6.796 3.219 198 HB3 PHE 21 3HB PHE 21 8.117 -7.832 1.871 199 HD1 PHE 21 HD1 PHE 21 6.054 -6.626 0.469 200 HD2 PHE 21 HD2 PHE 21 9.214 -4.702 2.573 201 HE1 PHE 21 HE1 PHE 21 5.800 -4.646 -0.969 202 HE2 PHE 21 HE2 PHE 21 8.965 -2.718 1.139 203 HZ PHE 21 HZ PHE 21 7.256 -2.688 -0.634 204 H TRP 22 H TRP 22 4.055 -7.492 2.659 205 HA TRP 22 HA TRP 22 4.316 -9.900 0.998 206 HB2 TRP 22 2HB TRP 22 2.508 -9.480 3.351 207 HB3 TRP 22 3HB TRP 22 1.978 -10.504 2.020 208 HD1 TRP 22 HD1 TRP 22 4.821 -10.290 4.628 209 HE1 TRP 22 HE1 TRP 22 5.703 -12.672 5.046 210 HE3 TRP 22 HE3 TRP 22 2.083 -12.798 1.114 211 HZ2 TRP 22 HZ2 TRP 22 5.293 -15.270 4.021 212 HZ3 TRP 22 HZ3 TRP 22 2.387 -15.230 0.897 213 HH2 TRP 22 HH2 TRP 22 3.960 -16.438 2.320 214 H CYS 23 H CYS 23 4.217 -8.308 -0.726 215 HA CYS 23 HA CYS 23 1.690 -8.110 -1.895 216 HB2 CYS 23 2HB CYS 23 1.160 -6.444 -0.226 217 HB3 CYS 23 3HB CYS 23 2.648 -5.567 -0.569 218 HA PRO 24 HA PRO 24 5.068 -7.641 -4.880 219 HB2 PRO 24 2HB PRO 24 3.697 -8.788 -6.923 220 HB3 PRO 24 3HB PRO 24 4.534 -9.727 -5.681 221 HG2 PRO 24 2HG PRO 24 1.628 -9.043 -5.901 222 HG3 PRO 24 3HG PRO 24 2.384 -10.584 -5.457 223 HD2 PRO 24 2HD PRO 24 1.369 -8.875 -3.618 224 HD3 PRO 24 3HD PRO 24 2.771 -9.912 -3.286 Start of MODEL 17 1 H1 THR 1 H THR 1 3.108 0.791 0.455 2 HA THR 1 HA THR 1 2.208 0.968 -2.347 3 HB THR 1 HB THR 1 4.493 1.479 -3.028 4 HG1 THR 1 HG1 THR 1 6.117 1.309 -1.669 5 HG21 THR 1 3HG2 THR 1 3.592 3.335 -0.823 6 HG22 THR 1 1HG2 THR 1 2.965 3.338 -2.470 7 HG23 THR 1 2HG2 THR 1 4.654 3.744 -2.169 8 H CYS 2 H CYS 2 2.973 -0.634 -3.781 9 HA CYS 2 HA CYS 2 4.045 -3.038 -2.454 10 HB2 CYS 2 2HB CYS 2 2.046 -2.862 -4.718 11 HB3 CYS 2 3HB CYS 2 2.767 -4.359 -4.137 12 H HIS 3 H HIS 3 5.978 -1.522 -3.256 13 HA HIS 3 HA HIS 3 6.656 -1.983 -6.039 14 HB2 HIS 3 2HB HIS 3 7.174 0.158 -4.756 15 HB3 HIS 3 3HB HIS 3 8.429 -0.759 -3.927 16 HD1 HIS 3 HD1 HIS 3 10.560 0.059 -4.892 17 HD2 HIS 3 HD2 HIS 3 7.698 -0.648 -7.820 18 HE1 HIS 3 HE1 HIS 3 11.734 0.433 -7.084 19 H ILE 4 H ILE 4 6.912 -4.208 -6.195 20 HA ILE 4 HA ILE 4 9.475 -5.226 -5.663 21 HB ILE 4 HB ILE 4 8.715 -5.347 -3.344 22 HG12 ILE 4 2HG1 ILE 4 9.080 -7.793 -2.989 23 HG13 ILE 4 3HG1 ILE 4 8.924 -8.030 -4.727 24 HG21 ILE 4 1HG2 ILE 4 6.724 -7.453 -3.867 25 HG22 ILE 4 2HG2 ILE 4 6.728 -6.165 -2.663 26 HG23 ILE 4 3HG2 ILE 4 6.249 -5.818 -4.324 27 HD11 ILE 4 3HD1 ILE 4 11.241 -7.469 -3.281 28 HD12 ILE 4 1HD1 ILE 4 11.052 -7.525 -5.034 29 HD13 ILE 4 2HD1 ILE 4 10.867 -5.995 -4.175 30 H ARG 5 H ARG 5 9.863 -6.843 -7.048 31 HA ARG 5 HA ARG 5 7.693 -7.815 -8.686 32 HB2 ARG 5 2HB ARG 5 9.443 -8.883 -10.013 33 HB3 ARG 5 3HB ARG 5 9.841 -7.199 -9.701 34 HG2 ARG 5 2HG ARG 5 11.329 -7.942 -7.864 35 HG3 ARG 5 3HG ARG 5 10.996 -9.613 -8.324 36 HD2 ARG 5 2HD ARG 5 13.118 -8.716 -9.259 37 HD3 ARG 5 3HD ARG 5 11.980 -9.277 -10.484 38 HE ARG 5 HE ARG 5 11.762 -6.470 -9.935 39 HH11 ARG 5 1HH1 ARG 5 13.475 -8.891 -11.759 40 HH12 ARG 5 2HH1 ARG 5 13.948 -7.796 -13.016 41 HH21 ARG 5 1HH2 ARG 5 12.378 -5.019 -11.584 42 HH22 ARG 5 2HH2 ARG 5 13.324 -5.594 -12.915 43 H ARG 6 H ARG 6 9.880 -9.092 -6.242 44 HA ARG 6 HA ARG 6 9.440 -11.808 -6.517 45 HB2 ARG 6 2HB ARG 6 10.127 -10.040 -4.212 46 HB3 ARG 6 3HB ARG 6 9.697 -11.714 -3.883 47 HG2 ARG 6 2HG ARG 6 11.759 -11.085 -5.948 48 HG3 ARG 6 3HG ARG 6 12.180 -11.062 -4.234 49 HD2 ARG 6 2HD ARG 6 10.722 -13.407 -5.373 50 HD3 ARG 6 3HD ARG 6 12.459 -13.250 -5.632 51 HE ARG 6 HE ARG 6 11.158 -14.023 -3.224 52 HH11 ARG 6 1HH1 ARG 6 13.920 -12.305 -4.465 53 HH12 ARG 6 2HH1 ARG 6 14.891 -12.587 -3.058 54 HH21 ARG 6 1HH2 ARG 6 12.427 -14.401 -1.367 55 HH22 ARG 6 2HH2 ARG 6 14.041 -13.781 -1.297 56 H LYS 7 H LYS 7 7.442 -12.593 -6.876 57 HA LYS 7 HA LYS 7 5.300 -11.844 -5.001 58 HB2 LYS 7 2HB LYS 7 3.733 -12.645 -6.715 59 HB3 LYS 7 3HB LYS 7 4.777 -11.373 -7.338 60 HG2 LYS 7 2HG LYS 7 4.844 -12.848 -9.074 61 HG3 LYS 7 3HG LYS 7 6.234 -13.405 -8.140 62 HD2 LYS 7 2HD LYS 7 5.309 -15.418 -7.968 63 HD3 LYS 7 3HD LYS 7 3.923 -14.711 -7.132 64 HE2 LYS 7 2HE LYS 7 3.134 -15.921 -9.051 65 HE3 LYS 7 3HE LYS 7 2.921 -14.195 -9.343 66 HZ1 LYS 7 3HZ LYS 7 4.587 -14.162 -10.901 67 HZ2 LYS 7 1HZ LYS 7 3.937 -15.701 -11.171 68 HZ3 LYS 7 2HZ LYS 7 5.366 -15.530 -10.283 69 HA PRO 8 HA PRO 8 5.203 -15.875 -3.265 70 HB2 PRO 8 2HB PRO 8 2.555 -16.153 -2.733 71 HB3 PRO 8 3HB PRO 8 3.613 -15.080 -1.809 72 HG2 PRO 8 2HG PRO 8 1.719 -14.420 -4.033 73 HG3 PRO 8 3HG PRO 8 2.001 -13.556 -2.509 74 HD2 PRO 8 2HD PRO 8 3.079 -12.754 -4.860 75 HD3 PRO 8 3HD PRO 8 3.900 -12.518 -3.303 76 H LYS 9 H LYS 9 5.268 -17.859 -4.112 77 HA LYS 9 HA LYS 9 3.295 -18.608 -6.155 78 HB2 LYS 9 2HB LYS 9 5.507 -17.901 -7.170 79 HB3 LYS 9 3HB LYS 9 6.226 -19.294 -6.373 80 HG2 LYS 9 2HG LYS 9 4.020 -20.319 -7.714 81 HG3 LYS 9 3HG LYS 9 4.723 -19.147 -8.831 82 HD2 LYS 9 2HD LYS 9 6.822 -20.243 -8.803 83 HD3 LYS 9 3HD LYS 9 6.367 -21.234 -7.415 84 HE2 LYS 9 2HE LYS 9 5.251 -22.724 -8.687 85 HE3 LYS 9 3HE LYS 9 4.616 -21.483 -9.766 86 HZ1 LYS 9 3HZ LYS 9 6.054 -22.625 -11.125 87 HZ2 LYS 9 1HZ LYS 9 7.180 -22.920 -9.896 88 HZ3 LYS 9 2HZ LYS 9 7.056 -21.376 -10.577 89 H PHE 10 H PHE 10 5.771 -19.686 -3.869 90 HA PHE 10 HA PHE 10 4.109 -21.986 -3.210 91 HB2 PHE 10 2HB PHE 10 5.916 -22.534 -5.020 92 HB3 PHE 10 3HB PHE 10 7.032 -22.478 -3.660 93 HD1 PHE 10 HD2 PHE 10 3.822 -24.049 -4.704 94 HD2 PHE 10 HD1 PHE 10 7.401 -24.388 -2.425 95 HE1 PHE 10 HE2 PHE 10 3.237 -26.371 -4.136 96 HE2 PHE 10 HE1 PHE 10 6.822 -26.710 -1.855 97 HZ PHE 10 HZ PHE 10 4.737 -27.704 -2.710 98 H ARG 11 H ARG 11 3.758 -21.480 -1.130 99 HA ARG 11 HA ARG 11 6.025 -21.510 0.678 100 HB2 ARG 11 2HB ARG 11 4.911 -19.435 1.849 101 HB3 ARG 11 3HB ARG 11 6.063 -19.214 0.538 102 HG2 ARG 11 2HG ARG 11 4.147 -17.749 0.273 103 HG3 ARG 11 3HG ARG 11 4.222 -18.928 -1.038 104 HD2 ARG 11 2HD ARG 11 2.433 -20.168 -0.178 105 HD3 ARG 11 3HD ARG 11 2.567 -19.421 1.414 106 HE ARG 11 HE ARG 11 1.939 -17.328 -0.148 107 HH11 ARG 11 1HH1 ARG 11 0.553 -20.505 0.179 108 HH12 ARG 11 2HH1 ARG 11 -1.050 -19.991 -0.233 109 HH21 ARG 11 1HH2 ARG 11 -0.167 -16.639 -0.691 110 HH22 ARG 11 2HH2 ARG 11 -1.458 -17.791 -0.729 111 H LYS 12 H LYS 12 5.406 -21.815 2.906 112 HA LYS 12 HA LYS 12 2.848 -23.221 3.121 113 HB2 LYS 12 2HB LYS 12 5.444 -23.340 4.597 114 HB3 LYS 12 3HB LYS 12 3.978 -23.842 5.428 115 HG2 LYS 12 2HG LYS 12 3.540 -25.481 3.670 116 HG3 LYS 12 3HG LYS 12 5.015 -24.979 2.839 117 HD2 LYS 12 2HD LYS 12 5.078 -25.922 5.687 118 HD3 LYS 12 3HD LYS 12 5.105 -27.068 4.344 119 HE2 LYS 12 2HE LYS 12 7.007 -24.791 4.255 120 HE3 LYS 12 3HE LYS 12 7.327 -26.076 5.419 121 HZ1 LYS 12 3HZ LYS 12 8.200 -27.241 3.769 122 HZ2 LYS 12 1HZ LYS 12 7.765 -26.066 2.632 123 HZ3 LYS 12 2HZ LYS 12 6.685 -27.308 3.019 124 H PHE 13 H PHE 13 4.746 -21.432 5.537 125 HA PHE 13 HA PHE 13 2.406 -20.519 6.878 126 HB2 PHE 13 2HB PHE 13 5.332 -19.835 7.148 127 HB3 PHE 13 3HB PHE 13 4.092 -19.078 8.143 128 HD1 PHE 13 HD1 PHE 13 5.527 -22.368 7.210 129 HD2 PHE 13 HD2 PHE 13 3.314 -20.126 10.072 130 HE1 PHE 13 HE1 PHE 13 5.632 -24.265 8.773 131 HE2 PHE 13 HE2 PHE 13 3.417 -22.019 11.640 132 HZ PHE 13 HZ PHE 13 4.578 -24.092 10.991 133 H LYS 14 H LYS 14 1.307 -18.652 6.707 134 HA LYS 14 HA LYS 14 2.075 -16.836 4.549 135 HB2 LYS 14 2HB LYS 14 -0.481 -17.442 5.981 136 HB3 LYS 14 3HB LYS 14 -0.298 -15.888 5.178 137 HG2 LYS 14 2HG LYS 14 0.387 -18.311 3.620 138 HG3 LYS 14 3HG LYS 14 -1.318 -18.012 3.962 139 HD2 LYS 14 2HD LYS 14 0.301 -15.731 2.972 140 HD3 LYS 14 3HD LYS 14 -0.094 -17.009 1.820 141 HE2 LYS 14 2HE LYS 14 -1.843 -15.465 1.614 142 HE3 LYS 14 3HE LYS 14 -2.502 -16.749 2.627 143 HZ1 LYS 14 3HZ LYS 14 -2.959 -14.425 3.393 144 HZ2 LYS 14 1HZ LYS 14 -1.309 -14.273 3.736 145 HZ3 LYS 14 2HZ LYS 14 -2.239 -15.428 4.549 146 H LEU 15 H LEU 15 2.513 -14.695 4.838 147 HA LEU 15 HA LEU 15 3.328 -12.860 5.915 148 HB2 LEU 15 2HB LEU 15 0.862 -13.574 7.441 149 HB3 LEU 15 3HB LEU 15 1.876 -12.243 7.995 150 HG LEU 15 HG LEU 15 -0.016 -11.455 6.662 151 HD11 LEU 15 1HD1 LEU 15 1.725 -10.587 4.701 152 HD12 LEU 15 2HD1 LEU 15 2.776 -10.948 6.070 153 HD13 LEU 15 3HD1 LEU 15 1.436 -9.818 6.263 154 HD21 LEU 15 3HD2 LEU 15 -0.105 -13.547 5.241 155 HD22 LEU 15 1HD2 LEU 15 1.220 -12.855 4.305 156 HD23 LEU 15 2HD2 LEU 15 -0.330 -12.018 4.390 157 H TYR 16 H TYR 16 4.550 -15.364 6.613 158 HA TYR 16 HA TYR 16 4.942 -15.770 9.332 159 HB2 TYR 16 2HB TYR 16 7.250 -16.638 8.560 160 HB3 TYR 16 3HB TYR 16 5.811 -17.434 7.936 161 HD1 TYR 16 HD1 TYR 16 7.794 -14.405 6.981 162 HD2 TYR 16 HD2 TYR 16 6.024 -18.068 5.736 163 HE1 TYR 16 HE1 TYR 16 8.570 -13.992 4.684 164 HE2 TYR 16 HE2 TYR 16 6.796 -17.666 3.436 165 HH TYR 16 HH TYR 16 8.038 -14.650 2.415 166 H HIS 17 H HIS 17 7.338 -15.479 10.248 167 HA HIS 17 HA HIS 17 7.678 -12.610 10.488 168 HB2 HIS 17 2HB HIS 17 8.568 -15.004 12.007 169 HB3 HIS 17 3HB HIS 17 9.594 -13.575 12.097 170 HD1 HIS 17 HD1 HIS 17 5.821 -14.096 12.317 171 HD2 HIS 17 HD2 HIS 17 8.930 -12.187 14.305 172 HE1 HIS 17 HE1 HIS 17 4.749 -12.910 14.259 173 H GLU 18 H GLU 18 8.372 -12.592 8.137 174 HA GLU 18 HA GLU 18 11.269 -12.491 8.068 175 HB2 GLU 18 2HB GLU 18 9.994 -14.751 7.065 176 HB3 GLU 18 3HB GLU 18 10.307 -13.770 5.640 177 HG2 GLU 18 2HG GLU 18 12.697 -13.578 6.512 178 HG3 GLU 18 3HG GLU 18 12.271 -14.897 7.601 179 H GLY 19 H GLY 19 11.072 -10.272 7.818 180 HA2 GLY 19 2HA GLY 19 10.961 -8.325 6.605 181 HA3 GLY 19 3HA GLY 19 10.800 -9.322 5.167 182 H LYS 20 H LYS 20 9.305 -7.036 7.028 183 HA LYS 20 HA LYS 20 6.585 -7.903 6.767 184 HB2 LYS 20 2HB LYS 20 7.987 -5.482 7.759 185 HB3 LYS 20 3HB LYS 20 6.328 -5.267 7.217 186 HG2 LYS 20 2HG LYS 20 5.702 -7.163 8.754 187 HG3 LYS 20 3HG LYS 20 7.336 -7.052 9.414 188 HD2 LYS 20 2HD LYS 20 6.966 -4.889 10.252 189 HD3 LYS 20 3HD LYS 20 5.527 -4.658 9.256 190 HE2 LYS 20 2HE LYS 20 4.229 -6.056 10.604 191 HE3 LYS 20 3HE LYS 20 5.642 -6.809 11.342 192 HZ1 LYS 20 3HZ LYS 20 5.417 -5.371 12.995 193 HZ2 LYS 20 1HZ LYS 20 4.193 -4.526 12.187 194 HZ3 LYS 20 2HZ LYS 20 5.814 -4.117 11.930 195 H PHE 21 H PHE 21 6.227 -8.330 4.591 196 HA PHE 21 HA PHE 21 5.267 -6.228 3.020 197 HB2 PHE 21 2HB PHE 21 7.980 -6.189 2.912 198 HB3 PHE 21 3HB PHE 21 7.620 -7.265 1.566 199 HD1 PHE 21 HD2 PHE 21 5.433 -6.298 0.182 200 HD2 PHE 21 HD1 PHE 21 8.354 -4.026 2.286 201 HE1 PHE 21 HE2 PHE 21 4.940 -4.352 -1.242 202 HE2 PHE 21 HE1 PHE 21 7.865 -2.077 0.866 203 HZ PHE 21 HZ PHE 21 6.157 -2.239 -0.901 204 H TRP 22 H TRP 22 3.582 -7.361 2.298 205 HA TRP 22 HA TRP 22 4.126 -9.801 0.757 206 HB2 TRP 22 2HB TRP 22 2.244 -9.457 3.051 207 HB3 TRP 22 3HB TRP 22 1.771 -10.520 1.728 208 HD1 TRP 22 HD1 TRP 22 4.723 -10.110 4.212 209 HE1 TRP 22 HE1 TRP 22 5.665 -12.452 4.713 210 HE3 TRP 22 HE3 TRP 22 1.804 -12.856 1.037 211 HZ2 TRP 22 HZ2 TRP 22 5.229 -15.112 3.873 212 HZ3 TRP 22 HZ3 TRP 22 2.130 -15.293 0.946 213 HH2 TRP 22 HH2 TRP 22 3.808 -16.395 2.335 214 H CYS 23 H CYS 23 3.959 -8.308 -1.045 215 HA CYS 23 HA CYS 23 1.472 -8.383 -2.312 216 HB2 CYS 23 2HB CYS 23 0.720 -6.695 -0.770 217 HB3 CYS 23 3HB CYS 23 2.158 -5.721 -1.056 218 HA PRO 24 HA PRO 24 4.918 -7.768 -5.192 219 HB2 PRO 24 2HB PRO 24 3.736 -9.133 -7.220 220 HB3 PRO 24 3HB PRO 24 4.600 -9.931 -5.901 221 HG2 PRO 24 2HG PRO 24 1.657 -9.519 -6.262 222 HG3 PRO 24 3HG PRO 24 2.525 -10.963 -5.709 223 HD2 PRO 24 2HD PRO 24 1.292 -9.262 -4.001 224 HD3 PRO 24 3HD PRO 24 2.765 -10.153 -3.565 Start of MODEL 18 1 H1 THR 1 H THR 1 0.835 2.232 -0.887 2 HA THR 1 HA THR 1 -0.109 0.215 -2.814 3 HB THR 1 HB THR 1 0.059 2.360 -3.977 4 HG1 THR 1 HG1 THR 1 1.378 1.606 -5.637 5 HG21 THR 1 3HG2 THR 1 2.247 3.465 -4.227 6 HG22 THR 1 1HG2 THR 1 2.940 2.330 -3.070 7 HG23 THR 1 2HG2 THR 1 1.694 3.466 -2.553 8 H CYS 2 H CYS 2 1.538 -1.189 -3.663 9 HA CYS 2 HA CYS 2 3.898 -1.389 -1.907 10 HB2 CYS 2 2HB CYS 2 3.772 -3.871 -2.378 11 HB3 CYS 2 3HB CYS 2 2.475 -3.225 -1.378 12 H HIS 3 H HIS 3 5.832 -2.217 -2.847 13 HA HIS 3 HA HIS 3 5.920 -2.322 -5.770 14 HB2 HIS 3 2HB HIS 3 6.485 0.019 -4.837 15 HB3 HIS 3 3HB HIS 3 7.976 -0.722 -4.264 16 HD1 HIS 3 HD1 HIS 3 9.775 -0.038 -5.809 17 HD2 HIS 3 HD2 HIS 3 6.270 -0.965 -7.839 18 HE1 HIS 3 HE1 HIS 3 10.334 0.182 -8.251 19 H ILE 4 H ILE 4 6.588 -4.365 -6.034 20 HA ILE 4 HA ILE 4 9.238 -5.111 -5.469 21 HB ILE 4 HB ILE 4 8.445 -5.322 -3.161 22 HG12 ILE 4 2HG1 ILE 4 9.105 -7.695 -2.800 23 HG13 ILE 4 3HG1 ILE 4 8.982 -7.965 -4.535 24 HG21 ILE 4 1HG2 ILE 4 6.666 -7.590 -3.924 25 HG22 ILE 4 2HG2 ILE 4 6.629 -6.561 -2.493 26 HG23 ILE 4 3HG2 ILE 4 6.060 -5.938 -4.041 27 HD11 ILE 4 3HD1 ILE 4 10.774 -6.397 -4.935 28 HD12 ILE 4 1HD1 ILE 4 10.862 -6.023 -3.214 29 HD13 ILE 4 2HD1 ILE 4 11.290 -7.634 -3.790 30 H ARG 5 H ARG 5 9.813 -6.667 -6.858 31 HA ARG 5 HA ARG 5 7.851 -7.780 -8.618 32 HB2 ARG 5 2HB ARG 5 9.768 -8.873 -9.707 33 HB3 ARG 5 3HB ARG 5 10.051 -7.156 -9.455 34 HG2 ARG 5 2HG ARG 5 11.241 -7.924 -7.286 35 HG3 ARG 5 3HG ARG 5 11.296 -9.497 -8.084 36 HD2 ARG 5 2HD ARG 5 12.342 -8.334 -10.057 37 HD3 ARG 5 3HD ARG 5 12.479 -6.899 -9.042 38 HE ARG 5 HE ARG 5 14.087 -9.284 -8.907 39 HH11 ARG 5 1HH1 ARG 5 12.957 -6.471 -7.196 40 HH12 ARG 5 2HH1 ARG 5 14.282 -6.457 -6.079 41 HH21 ARG 5 1HH2 ARG 5 15.836 -9.277 -7.443 42 HH22 ARG 5 2HH2 ARG 5 15.920 -8.053 -6.221 43 H ARG 6 H ARG 6 9.872 -9.022 -6.002 44 HA ARG 6 HA ARG 6 9.391 -11.742 -6.293 45 HB2 ARG 6 2HB ARG 6 10.059 -9.987 -3.968 46 HB3 ARG 6 3HB ARG 6 9.618 -11.663 -3.667 47 HG2 ARG 6 2HG ARG 6 11.686 -11.098 -5.724 48 HG3 ARG 6 3HG ARG 6 12.120 -10.936 -4.021 49 HD2 ARG 6 2HD ARG 6 11.515 -13.208 -3.583 50 HD3 ARG 6 3HD ARG 6 10.822 -13.388 -5.195 51 HE ARG 6 HE ARG 6 13.510 -12.683 -5.477 52 HH11 ARG 6 1HH1 ARG 6 11.583 -15.335 -4.305 53 HH12 ARG 6 2HH1 ARG 6 12.776 -16.536 -4.672 54 HH21 ARG 6 1HH2 ARG 6 15.089 -14.254 -5.965 55 HH22 ARG 6 2HH2 ARG 6 14.771 -15.920 -5.616 56 H LYS 7 H LYS 7 7.375 -12.466 -6.692 57 HA LYS 7 HA LYS 7 5.224 -11.659 -4.853 58 HB2 LYS 7 2HB LYS 7 3.664 -12.409 -6.593 59 HB3 LYS 7 3HB LYS 7 4.758 -11.173 -7.200 60 HG2 LYS 7 2HG LYS 7 4.810 -12.650 -8.933 61 HG3 LYS 7 3HG LYS 7 6.162 -13.255 -7.973 62 HD2 LYS 7 2HD LYS 7 5.046 -15.138 -7.340 63 HD3 LYS 7 3HD LYS 7 3.469 -14.346 -7.372 64 HE2 LYS 7 2HE LYS 7 3.465 -15.897 -9.156 65 HE3 LYS 7 3HE LYS 7 3.679 -14.307 -9.888 66 HZ1 LYS 7 3HZ LYS 7 6.182 -14.904 -9.674 67 HZ2 LYS 7 1HZ LYS 7 5.274 -15.533 -10.955 68 HZ3 LYS 7 2HZ LYS 7 5.617 -16.498 -9.609 69 HA PRO 8 HA PRO 8 4.985 -15.687 -3.123 70 HB2 PRO 8 2HB PRO 8 2.322 -15.889 -2.634 71 HB3 PRO 8 3HB PRO 8 3.395 -14.847 -1.692 72 HG2 PRO 8 2HG PRO 8 1.557 -14.131 -3.944 73 HG3 PRO 8 3HG PRO 8 1.839 -13.278 -2.416 74 HD2 PRO 8 2HD PRO 8 2.977 -12.504 -4.748 75 HD3 PRO 8 3HD PRO 8 3.779 -12.294 -3.178 76 H LYS 9 H LYS 9 5.005 -17.671 -3.970 77 HA LYS 9 HA LYS 9 3.120 -18.298 -6.145 78 HB2 LYS 9 2HB LYS 9 5.393 -17.905 -7.034 79 HB3 LYS 9 3HB LYS 9 6.013 -19.164 -5.973 80 HG2 LYS 9 2HG LYS 9 3.804 -19.872 -7.823 81 HG3 LYS 9 3HG LYS 9 5.416 -19.632 -8.500 82 HD2 LYS 9 2HD LYS 9 6.086 -21.191 -6.456 83 HD3 LYS 9 3HD LYS 9 4.417 -21.733 -6.651 84 HE2 LYS 9 2HE LYS 9 6.244 -21.542 -9.015 85 HE3 LYS 9 3HE LYS 9 6.309 -22.943 -7.947 86 HZ1 LYS 9 3HZ LYS 9 4.830 -23.429 -9.728 87 HZ2 LYS 9 1HZ LYS 9 3.971 -21.989 -9.504 88 HZ3 LYS 9 2HZ LYS 9 3.888 -23.212 -8.339 89 H PHE 10 H PHE 10 5.586 -20.117 -4.329 90 HA PHE 10 HA PHE 10 3.453 -21.932 -3.420 91 HB2 PHE 10 2HB PHE 10 4.640 -23.077 -5.177 92 HB3 PHE 10 3HB PHE 10 6.194 -22.661 -4.463 93 HD1 PHE 10 HD2 PHE 10 3.070 -24.553 -3.779 94 HD2 PHE 10 HD1 PHE 10 7.234 -24.130 -3.004 95 HE1 PHE 10 HE2 PHE 10 3.045 -26.663 -2.513 96 HE2 PHE 10 HE1 PHE 10 7.216 -26.240 -1.738 97 HZ PHE 10 HZ PHE 10 5.120 -27.508 -1.490 98 H ARG 11 H ARG 11 3.334 -21.054 -1.372 99 HA ARG 11 HA ARG 11 5.643 -21.616 0.348 100 HB2 ARG 11 2HB ARG 11 4.855 -19.467 1.627 101 HB3 ARG 11 3HB ARG 11 5.931 -19.331 0.243 102 HG2 ARG 11 2HG ARG 11 4.199 -17.655 0.123 103 HG3 ARG 11 3HG ARG 11 4.006 -18.820 -1.189 104 HD2 ARG 11 2HD ARG 11 2.154 -19.826 -0.177 105 HD3 ARG 11 3HD ARG 11 2.528 -19.134 1.401 106 HE ARG 11 HE ARG 11 1.435 -17.208 0.787 107 HH11 ARG 11 1HH1 ARG 11 1.927 -19.218 -2.013 108 HH12 ARG 11 2HH1 ARG 11 0.907 -18.263 -3.039 109 HH21 ARG 11 1HH2 ARG 11 0.090 -15.944 -0.553 110 HH22 ARG 11 2HH2 ARG 11 -0.136 -16.401 -2.207 111 H LYS 12 H LYS 12 5.085 -21.845 2.623 112 HA LYS 12 HA LYS 12 2.395 -22.970 2.930 113 HB2 LYS 12 2HB LYS 12 4.894 -23.318 4.595 114 HB3 LYS 12 3HB LYS 12 3.343 -24.062 4.959 115 HG2 LYS 12 2HG LYS 12 3.438 -25.431 3.042 116 HG3 LYS 12 3HG LYS 12 4.779 -24.508 2.359 117 HD2 LYS 12 2HD LYS 12 6.192 -25.251 4.258 118 HD3 LYS 12 3HD LYS 12 4.854 -26.256 4.819 119 HE2 LYS 12 2HE LYS 12 5.810 -26.542 2.008 120 HE3 LYS 12 3HE LYS 12 6.757 -27.258 3.312 121 HZ1 LYS 12 3HZ LYS 12 5.365 -28.962 3.275 122 HZ2 LYS 12 1HZ LYS 12 4.377 -28.207 2.128 123 HZ3 LYS 12 2HZ LYS 12 4.112 -27.943 3.777 124 H PHE 13 H PHE 13 4.623 -21.507 5.283 125 HA PHE 13 HA PHE 13 2.532 -20.402 6.831 126 HB2 PHE 13 2HB PHE 13 5.474 -19.694 6.796 127 HB3 PHE 13 3HB PHE 13 4.329 -19.236 8.053 128 HD1 PHE 13 HD1 PHE 13 2.958 -21.342 9.007 129 HD2 PHE 13 HD2 PHE 13 6.826 -21.482 7.236 130 HE1 PHE 13 HE1 PHE 13 3.423 -23.445 10.197 131 HE2 PHE 13 HE2 PHE 13 7.297 -23.586 8.422 132 HZ PHE 13 HZ PHE 13 5.594 -24.571 9.904 133 H LYS 14 H LYS 14 1.398 -18.602 6.560 134 HA LYS 14 HA LYS 14 2.201 -16.726 4.471 135 HB2 LYS 14 2HB LYS 14 -0.362 -17.368 5.864 136 HB3 LYS 14 3HB LYS 14 -0.168 -15.771 5.154 137 HG2 LYS 14 2HG LYS 14 0.523 -18.084 3.447 138 HG3 LYS 14 3HG LYS 14 -1.185 -17.839 3.821 139 HD2 LYS 14 2HD LYS 14 -0.612 -15.346 3.164 140 HD3 LYS 14 3HD LYS 14 0.690 -16.128 2.263 141 HE2 LYS 14 2HE LYS 14 -1.260 -15.834 0.848 142 HE3 LYS 14 3HE LYS 14 -0.962 -17.548 1.133 143 HZ1 LYS 14 3HZ LYS 14 -2.956 -17.769 2.046 144 HZ2 LYS 14 1HZ LYS 14 -3.317 -16.193 1.546 145 HZ3 LYS 14 2HZ LYS 14 -2.707 -16.469 3.099 146 H LEU 15 H LEU 15 2.691 -14.611 4.821 147 HA LEU 15 HA LEU 15 3.527 -12.818 5.950 148 HB2 LEU 15 2HB LEU 15 1.029 -13.519 7.426 149 HB3 LEU 15 3HB LEU 15 2.064 -12.227 8.032 150 HG LEU 15 HG LEU 15 0.198 -11.372 6.691 151 HD11 LEU 15 1HD1 LEU 15 1.957 -10.419 4.814 152 HD12 LEU 15 2HD1 LEU 15 3.018 -10.897 6.138 153 HD13 LEU 15 3HD1 LEU 15 1.709 -9.752 6.428 154 HD21 LEU 15 3HD2 LEU 15 1.477 -12.707 4.317 155 HD22 LEU 15 1HD2 LEU 15 -0.060 -11.845 4.390 156 HD23 LEU 15 2HD2 LEU 15 0.114 -13.406 5.193 157 H TYR 16 H TYR 16 4.736 -15.321 6.581 158 HA TYR 16 HA TYR 16 5.078 -15.824 9.296 159 HB2 TYR 16 2HB TYR 16 7.389 -16.687 8.526 160 HB3 TYR 16 3HB TYR 16 5.950 -17.453 7.863 161 HD1 TYR 16 HD2 TYR 16 7.977 -14.419 7.021 162 HD2 TYR 16 HD1 TYR 16 6.177 -18.021 5.647 163 HE1 TYR 16 HE2 TYR 16 8.781 -13.946 4.745 164 HE2 TYR 16 HE1 TYR 16 6.977 -17.559 3.368 165 HH TYR 16 HH TYR 16 9.306 -15.695 2.580 166 H HIS 17 H HIS 17 7.528 -15.600 10.183 167 HA HIS 17 HA HIS 17 7.870 -12.737 10.541 168 HB2 HIS 17 2HB HIS 17 7.863 -14.221 12.509 169 HB3 HIS 17 3HB HIS 17 9.280 -15.056 11.880 170 HD1 HIS 17 HD1 HIS 17 10.499 -14.345 14.110 171 HD2 HIS 17 HD2 HIS 17 9.417 -11.212 11.606 172 HE1 HIS 17 HE1 HIS 17 11.801 -12.354 14.924 173 H GLU 18 H GLU 18 8.579 -12.659 8.193 174 HA GLU 18 HA GLU 18 11.476 -12.575 8.146 175 HB2 GLU 18 2HB GLU 18 10.187 -14.798 7.069 176 HB3 GLU 18 3HB GLU 18 10.535 -13.783 5.677 177 HG2 GLU 18 2HG GLU 18 12.882 -13.733 6.256 178 HG3 GLU 18 3HG GLU 18 12.563 -14.663 7.719 179 H GLY 19 H GLY 19 11.293 -10.350 7.953 180 HA2 GLY 19 2HA GLY 19 11.220 -8.376 6.777 181 HA3 GLY 19 3HA GLY 19 11.025 -9.337 5.318 182 H LYS 20 H LYS 20 9.635 -6.966 7.035 183 HA LYS 20 HA LYS 20 6.878 -7.807 6.866 184 HB2 LYS 20 2HB LYS 20 8.337 -5.413 7.852 185 HB3 LYS 20 3HB LYS 20 6.669 -5.179 7.344 186 HG2 LYS 20 2HG LYS 20 6.133 -7.165 8.878 187 HG3 LYS 20 3HG LYS 20 7.735 -6.882 9.564 188 HD2 LYS 20 2HD LYS 20 6.451 -5.577 10.947 189 HD3 LYS 20 3HD LYS 20 6.879 -4.399 9.704 190 HE2 LYS 20 2HE LYS 20 4.731 -4.937 8.558 191 HE3 LYS 20 3HE LYS 20 4.305 -5.954 9.934 192 HZ1 LYS 20 3HZ LYS 20 5.089 -3.450 10.904 193 HZ2 LYS 20 1HZ LYS 20 3.557 -4.166 10.972 194 HZ3 LYS 20 2HZ LYS 20 3.976 -3.189 9.657 195 H PHE 21 H PHE 21 6.488 -8.208 4.693 196 HA PHE 21 HA PHE 21 5.568 -6.076 3.142 197 HB2 PHE 21 2HB PHE 21 8.289 -6.114 3.015 198 HB3 PHE 21 3HB PHE 21 7.876 -7.144 1.648 199 HD1 PHE 21 HD1 PHE 21 5.757 -6.096 0.269 200 HD2 PHE 21 HD2 PHE 21 8.671 -3.927 2.487 201 HE1 PHE 21 HE1 PHE 21 5.308 -4.101 -1.099 202 HE2 PHE 21 HE2 PHE 21 8.226 -1.928 1.124 203 HZ PHE 21 HZ PHE 21 6.543 -2.013 -0.672 204 H TRP 22 H TRP 22 3.845 -7.196 2.476 205 HA TRP 22 HA TRP 22 4.329 -9.615 0.879 206 HB2 TRP 22 2HB TRP 22 2.503 -9.283 3.220 207 HB3 TRP 22 3HB TRP 22 1.986 -10.318 1.892 208 HD1 TRP 22 HD1 TRP 22 4.977 -9.991 4.336 209 HE1 TRP 22 HE1 TRP 22 5.908 -12.351 4.769 210 HE3 TRP 22 HE3 TRP 22 2.001 -12.637 1.130 211 HZ2 TRP 22 HZ2 TRP 22 5.442 -14.986 3.870 212 HZ3 TRP 22 HZ3 TRP 22 2.308 -15.074 0.976 213 HH2 TRP 22 HH2 TRP 22 3.994 -16.222 2.318 214 H CYS 23 H CYS 23 4.141 -8.088 -0.894 215 HA CYS 23 HA CYS 23 1.602 -8.104 -2.083 216 HB2 CYS 23 2HB CYS 23 1.080 -6.362 -0.431 217 HB3 CYS 23 3HB CYS 23 2.445 -5.407 -1.001 218 HA PRO 24 HA PRO 24 4.961 -7.636 -5.091 219 HB2 PRO 24 2HB PRO 24 3.654 -8.961 -7.066 220 HB3 PRO 24 3HB PRO 24 4.534 -9.787 -5.775 221 HG2 PRO 24 2HG PRO 24 1.598 -9.262 -6.031 222 HG3 PRO 24 3HG PRO 24 2.428 -10.737 -5.502 223 HD2 PRO 24 2HD PRO 24 1.326 -8.982 -3.760 224 HD3 PRO 24 3HD PRO 24 2.778 -9.927 -3.372 Start of MODEL 19 1 H1 THR 1 H THR 1 -2.246 -1.925 -6.385 2 HA THR 1 HA THR 1 -0.345 0.007 -7.007 3 HB THR 1 HB THR 1 -2.593 0.481 -6.038 4 HG1 THR 1 HG1 THR 1 -0.615 1.934 -5.939 5 HG21 THR 1 3HG2 THR 1 -1.805 -1.249 -4.035 6 HG22 THR 1 1HG2 THR 1 -3.214 -0.190 -3.993 7 HG23 THR 1 2HG2 THR 1 -1.693 0.337 -3.271 8 H CYS 2 H CYS 2 0.865 -2.508 -6.079 9 HA CYS 2 HA CYS 2 2.411 -1.486 -3.788 10 HB2 CYS 2 2HB CYS 2 1.701 -4.294 -4.614 11 HB3 CYS 2 3HB CYS 2 3.029 -3.965 -3.507 12 H HIS 3 H HIS 3 4.693 -2.469 -3.737 13 HA HIS 3 HA HIS 3 5.849 -2.849 -6.385 14 HB2 HIS 3 2HB HIS 3 6.260 -0.449 -4.679 15 HB3 HIS 3 3HB HIS 3 7.679 -1.112 -5.484 16 HD1 HIS 3 HD1 HIS 3 6.549 -1.852 -8.200 17 HD2 HIS 3 HD2 HIS 3 5.607 1.679 -6.223 18 HE1 HIS 3 HE1 HIS 3 5.803 -0.256 -9.994 19 H ILE 4 H ILE 4 6.693 -4.816 -5.996 20 HA ILE 4 HA ILE 4 9.036 -5.058 -4.435 21 HB ILE 4 HB ILE 4 7.467 -5.111 -2.559 22 HG12 ILE 4 2HG1 ILE 4 8.205 -7.226 -1.558 23 HG13 ILE 4 3HG1 ILE 4 8.643 -7.837 -3.150 24 HG21 ILE 4 1HG2 ILE 4 5.846 -6.927 -2.330 25 HG22 ILE 4 2HG2 ILE 4 5.504 -5.933 -3.745 26 HG23 ILE 4 3HG2 ILE 4 6.269 -7.509 -3.940 27 HD11 ILE 4 3HD1 ILE 4 10.295 -6.533 -1.366 28 HD12 ILE 4 1HD1 ILE 4 10.625 -6.851 -3.069 29 HD13 ILE 4 2HD1 ILE 4 9.923 -5.309 -2.580 30 H ARG 5 H ARG 5 10.227 -6.744 -5.137 31 HA ARG 5 HA ARG 5 9.163 -8.343 -7.288 32 HB2 ARG 5 2HB ARG 5 11.451 -9.193 -7.504 33 HB3 ARG 5 3HB ARG 5 11.430 -7.436 -7.433 34 HG2 ARG 5 2HG ARG 5 12.029 -7.570 -5.035 35 HG3 ARG 5 3HG ARG 5 12.165 -9.321 -5.206 36 HD2 ARG 5 2HD ARG 5 13.757 -7.290 -6.767 37 HD3 ARG 5 3HD ARG 5 14.344 -8.172 -5.358 38 HE ARG 5 HE ARG 5 14.198 -9.133 -8.031 39 HH11 ARG 5 1HH1 ARG 5 13.918 -10.113 -4.703 40 HH12 ARG 5 2HH1 ARG 5 14.374 -11.756 -5.012 41 HH21 ARG 5 1HH2 ARG 5 14.799 -11.292 -8.452 42 HH22 ARG 5 2HH2 ARG 5 14.876 -12.425 -7.145 43 H ARG 6 H ARG 6 10.128 -8.820 -3.944 44 HA ARG 6 HA ARG 6 9.916 -11.679 -4.042 45 HB2 ARG 6 2HB ARG 6 10.416 -9.634 -1.938 46 HB3 ARG 6 3HB ARG 6 9.816 -11.203 -1.419 47 HG2 ARG 6 2HG ARG 6 12.174 -11.012 -3.246 48 HG3 ARG 6 3HG ARG 6 12.360 -10.787 -1.505 49 HD2 ARG 6 2HD ARG 6 11.154 -12.995 -1.229 50 HD3 ARG 6 3HD ARG 6 11.351 -13.215 -2.967 51 HE ARG 6 HE ARG 6 13.851 -12.622 -1.857 52 HH11 ARG 6 1HH1 ARG 6 11.466 -15.158 -1.836 53 HH12 ARG 6 2HH1 ARG 6 12.619 -16.419 -1.553 54 HH21 ARG 6 1HH2 ARG 6 15.379 -14.274 -1.483 55 HH22 ARG 6 2HH2 ARG 6 14.845 -15.915 -1.351 56 H LYS 7 H LYS 7 7.808 -11.940 -4.942 57 HA LYS 7 HA LYS 7 5.602 -11.300 -3.101 58 HB2 LYS 7 2HB LYS 7 4.209 -11.881 -5.223 59 HB3 LYS 7 3HB LYS 7 5.012 -10.320 -5.118 60 HG2 LYS 7 2HG LYS 7 5.318 -11.244 -7.316 61 HG3 LYS 7 3HG LYS 7 6.867 -11.211 -6.471 62 HD2 LYS 7 2HD LYS 7 6.984 -13.487 -6.310 63 HD3 LYS 7 3HD LYS 7 5.230 -13.682 -6.266 64 HE2 LYS 7 2HE LYS 7 6.084 -14.563 -8.342 65 HE3 LYS 7 3HE LYS 7 5.141 -13.110 -8.667 66 HZ1 LYS 7 3HZ LYS 7 7.538 -13.518 -9.692 67 HZ2 LYS 7 1HZ LYS 7 8.003 -12.750 -8.258 68 HZ3 LYS 7 2HZ LYS 7 6.957 -11.970 -9.333 69 HA PRO 8 HA PRO 8 4.832 -15.535 -2.251 70 HB2 PRO 8 2HB PRO 8 2.119 -15.613 -2.166 71 HB3 PRO 8 3HB PRO 8 3.098 -14.846 -0.910 72 HG2 PRO 8 2HG PRO 8 1.645 -13.593 -3.208 73 HG3 PRO 8 3HG PRO 8 1.747 -13.055 -1.522 74 HD2 PRO 8 2HD PRO 8 3.249 -11.964 -3.493 75 HD3 PRO 8 3HD PRO 8 3.826 -12.104 -1.820 76 H LYS 9 H LYS 9 4.719 -17.396 -3.367 77 HA LYS 9 HA LYS 9 3.098 -17.518 -5.804 78 HB2 LYS 9 2HB LYS 9 6.052 -17.750 -5.616 79 HB3 LYS 9 3HB LYS 9 5.234 -18.898 -6.667 80 HG2 LYS 9 2HG LYS 9 4.890 -15.915 -6.852 81 HG3 LYS 9 3HG LYS 9 6.050 -16.841 -7.806 82 HD2 LYS 9 2HD LYS 9 3.068 -17.300 -7.792 83 HD3 LYS 9 3HD LYS 9 3.942 -16.381 -9.019 84 HE2 LYS 9 2HE LYS 9 4.243 -19.309 -8.369 85 HE3 LYS 9 3HE LYS 9 3.567 -18.608 -9.839 86 HZ1 LYS 9 3HZ LYS 9 6.354 -18.892 -9.027 87 HZ2 LYS 9 1HZ LYS 9 5.949 -17.489 -9.882 88 HZ3 LYS 9 2HZ LYS 9 5.657 -19.009 -10.564 89 H PHE 10 H PHE 10 5.549 -19.662 -4.374 90 HA PHE 10 HA PHE 10 3.421 -21.642 -3.902 91 HB2 PHE 10 2HB PHE 10 5.086 -22.016 -5.894 92 HB3 PHE 10 3HB PHE 10 6.199 -22.502 -4.619 93 HD1 PHE 10 HD2 PHE 10 2.721 -23.155 -5.788 94 HD2 PHE 10 HD1 PHE 10 6.246 -24.708 -3.979 95 HE1 PHE 10 HE2 PHE 10 1.721 -25.403 -5.779 96 HE2 PHE 10 HE1 PHE 10 5.253 -26.959 -3.968 97 HZ PHE 10 HZ PHE 10 2.987 -27.308 -4.867 98 H ARG 11 H ARG 11 3.504 -20.608 -1.737 99 HA ARG 11 HA ARG 11 5.717 -21.699 -0.125 100 HB2 ARG 11 2HB ARG 11 4.882 -19.851 1.532 101 HB3 ARG 11 3HB ARG 11 5.946 -19.425 0.199 102 HG2 ARG 11 2HG ARG 11 4.177 -17.802 0.392 103 HG3 ARG 11 3HG ARG 11 3.990 -18.713 -1.108 104 HD2 ARG 11 2HD ARG 11 2.230 -20.027 -0.178 105 HD3 ARG 11 3HD ARG 11 2.528 -19.384 1.437 106 HE ARG 11 HE ARG 11 1.324 -17.506 0.885 107 HH11 ARG 11 1HH1 ARG 11 1.997 -19.353 -1.989 108 HH12 ARG 11 2HH1 ARG 11 0.936 -18.421 -2.993 109 HH21 ARG 11 1HH2 ARG 11 -0.075 -16.272 -0.428 110 HH22 ARG 11 2HH2 ARG 11 -0.241 -16.668 -2.105 111 H LYS 12 H LYS 12 5.054 -22.076 2.210 112 HA LYS 12 HA LYS 12 2.454 -23.448 2.221 113 HB2 LYS 12 2HB LYS 12 3.401 -24.774 4.102 114 HB3 LYS 12 3HB LYS 12 4.294 -24.958 2.598 115 HG2 LYS 12 2HG LYS 12 5.939 -23.299 3.437 116 HG3 LYS 12 3HG LYS 12 5.078 -23.290 4.978 117 HD2 LYS 12 2HD LYS 12 6.037 -25.866 3.790 118 HD3 LYS 12 3HD LYS 12 7.148 -24.828 4.686 119 HE2 LYS 12 2HE LYS 12 5.372 -24.846 6.532 120 HE3 LYS 12 3HE LYS 12 4.661 -26.203 5.659 121 HZ1 LYS 12 3HZ LYS 12 6.049 -27.254 7.132 122 HZ2 LYS 12 1HZ LYS 12 7.236 -26.050 7.069 123 HZ3 LYS 12 2HZ LYS 12 7.061 -27.133 5.782 124 H PHE 13 H PHE 13 4.564 -21.380 4.177 125 HA PHE 13 HA PHE 13 2.437 -20.933 6.111 126 HB2 PHE 13 2HB PHE 13 5.100 -21.110 6.453 127 HB3 PHE 13 3HB PHE 13 4.953 -19.367 6.253 128 HD1 PHE 13 HD1 PHE 13 3.640 -22.227 8.219 129 HD2 PHE 13 HD2 PHE 13 4.295 -18.025 8.035 130 HE1 PHE 13 HE1 PHE 13 2.960 -22.021 10.575 131 HE2 PHE 13 HE2 PHE 13 3.617 -17.813 10.390 132 HZ PHE 13 HZ PHE 13 2.949 -19.812 11.664 133 H LYS 14 H LYS 14 2.124 -18.590 6.829 134 HA LYS 14 HA LYS 14 1.995 -16.837 4.464 135 HB2 LYS 14 2HB LYS 14 -0.072 -17.310 6.608 136 HB3 LYS 14 3HB LYS 14 -0.107 -15.896 5.562 137 HG2 LYS 14 2HG LYS 14 -0.135 -18.731 4.554 138 HG3 LYS 14 3HG LYS 14 -1.584 -17.764 4.837 139 HD2 LYS 14 2HD LYS 14 0.495 -16.481 3.191 140 HD3 LYS 14 3HD LYS 14 -0.281 -17.893 2.469 141 HE2 LYS 14 2HE LYS 14 -2.481 -16.726 3.236 142 HE3 LYS 14 3HE LYS 14 -1.477 -15.278 3.290 143 HZ1 LYS 14 3HZ LYS 14 -2.718 -15.819 1.135 144 HZ2 LYS 14 1HZ LYS 14 -1.525 -16.994 0.890 145 HZ3 LYS 14 2HZ LYS 14 -1.093 -15.364 1.020 146 H LEU 15 H LEU 15 2.806 -14.843 4.698 147 HA LEU 15 HA LEU 15 3.982 -13.121 5.619 148 HB2 LEU 15 2HB LEU 15 1.741 -13.599 7.531 149 HB3 LEU 15 3HB LEU 15 2.973 -12.402 7.922 150 HG LEU 15 HG LEU 15 0.974 -11.394 6.918 151 HD11 LEU 15 1HD1 LEU 15 2.438 -10.575 4.756 152 HD12 LEU 15 2HD1 LEU 15 3.683 -11.162 5.858 153 HD13 LEU 15 3HD1 LEU 15 2.557 -9.911 6.386 154 HD21 LEU 15 3HD2 LEU 15 0.058 -12.020 4.944 155 HD22 LEU 15 1HD2 LEU 15 0.784 -13.569 5.375 156 HD23 LEU 15 2HD2 LEU 15 1.608 -12.493 4.246 157 H TYR 16 H TYR 16 5.070 -15.719 6.079 158 HA TYR 16 HA TYR 16 5.856 -16.248 8.688 159 HB2 TYR 16 2HB TYR 16 7.934 -17.266 7.532 160 HB3 TYR 16 3HB TYR 16 6.351 -17.926 7.134 161 HD1 TYR 16 HD1 TYR 16 8.395 -15.027 5.933 162 HD2 TYR 16 HD2 TYR 16 6.159 -18.501 4.917 163 HE1 TYR 16 HE1 TYR 16 8.823 -14.597 3.550 164 HE2 TYR 16 HE2 TYR 16 6.582 -18.082 2.530 165 HH TYR 16 HH TYR 16 7.464 -16.701 1.032 166 H HIS 17 H HIS 17 8.369 -16.174 9.235 167 HA HIS 17 HA HIS 17 8.984 -13.358 9.488 168 HB2 HIS 17 2HB HIS 17 9.926 -15.877 10.753 169 HB3 HIS 17 3HB HIS 17 11.056 -14.527 10.720 170 HD1 HIS 17 HD1 HIS 17 9.713 -12.160 11.579 171 HD2 HIS 17 HD2 HIS 17 8.486 -15.856 13.026 172 HE1 HIS 17 HE1 HIS 17 8.464 -11.668 13.705 173 H GLU 18 H GLU 18 9.271 -13.302 7.047 174 HA GLU 18 HA GLU 18 12.115 -13.383 6.495 175 HB2 GLU 18 2HB GLU 18 10.539 -15.528 5.672 176 HB3 GLU 18 3HB GLU 18 10.694 -14.528 4.234 177 HG2 GLU 18 2HG GLU 18 13.122 -14.587 4.446 178 HG3 GLU 18 3HG GLU 18 12.973 -15.579 5.895 179 H GLY 19 H GLY 19 12.018 -11.149 6.327 180 HA2 GLY 19 2HA GLY 19 11.853 -9.171 5.168 181 HA3 GLY 19 3HA GLY 19 11.353 -10.114 3.772 182 H LYS 20 H LYS 20 10.418 -7.588 5.420 183 HA LYS 20 HA LYS 20 7.625 -8.298 5.831 184 HB2 LYS 20 2HB LYS 20 9.368 -6.000 6.541 185 HB3 LYS 20 3HB LYS 20 7.659 -5.658 6.302 186 HG2 LYS 20 2HG LYS 20 7.310 -7.669 7.915 187 HG3 LYS 20 3HG LYS 20 8.982 -7.343 8.377 188 HD2 LYS 20 2HD LYS 20 7.020 -5.093 8.270 189 HD3 LYS 20 3HD LYS 20 7.006 -6.192 9.651 190 HE2 LYS 20 2HE LYS 20 9.410 -4.658 8.665 191 HE3 LYS 20 3HE LYS 20 8.403 -4.197 10.036 192 HZ1 LYS 20 3HZ LYS 20 10.106 -6.612 9.793 193 HZ2 LYS 20 1HZ LYS 20 8.986 -6.383 11.040 194 HZ3 LYS 20 2HZ LYS 20 10.295 -5.325 10.875 195 H PHE 21 H PHE 21 6.853 -8.677 3.761 196 HA PHE 21 HA PHE 21 5.820 -6.498 2.356 197 HB2 PHE 21 2HB PHE 21 8.503 -6.801 1.769 198 HB3 PHE 21 3HB PHE 21 7.711 -7.656 0.450 199 HD1 PHE 21 HD2 PHE 21 5.362 -6.155 -0.135 200 HD2 PHE 21 HD1 PHE 21 9.199 -4.742 1.045 201 HE1 PHE 21 HE2 PHE 21 4.913 -4.011 -1.255 202 HE2 PHE 21 HE1 PHE 21 8.756 -2.594 -0.071 203 HZ PHE 21 HZ PHE 21 6.611 -2.227 -1.224 204 H TRP 22 H TRP 22 3.949 -7.573 2.094 205 HA TRP 22 HA TRP 22 4.020 -9.996 0.427 206 HB2 TRP 22 2HB TRP 22 2.649 -9.565 3.046 207 HB3 TRP 22 3HB TRP 22 1.855 -10.572 1.838 208 HD1 TRP 22 HD1 TRP 22 5.288 -10.395 3.644 209 HE1 TRP 22 HE1 TRP 22 6.136 -12.805 3.964 210 HE3 TRP 22 HE3 TRP 22 1.549 -12.900 1.218 211 HZ2 TRP 22 HZ2 TRP 22 5.327 -15.421 3.278 212 HZ3 TRP 22 HZ3 TRP 22 1.661 -15.355 1.095 213 HH2 TRP 22 HH2 TRP 22 3.512 -16.587 2.103 214 H CYS 23 H CYS 23 3.605 -8.471 -1.305 215 HA CYS 23 HA CYS 23 0.918 -8.364 -2.061 216 HB2 CYS 23 2HB CYS 23 0.596 -6.650 -0.404 217 HB3 CYS 23 3HB CYS 23 2.016 -5.772 -0.962 218 HA PRO 24 HA PRO 24 3.766 -7.944 -5.562 219 HB2 PRO 24 2HB PRO 24 2.118 -9.195 -7.319 220 HB3 PRO 24 3HB PRO 24 3.165 -10.069 -6.196 221 HG2 PRO 24 2HG PRO 24 0.245 -9.451 -5.971 222 HG3 PRO 24 3HG PRO 24 1.101 -10.959 -5.601 223 HD2 PRO 24 2HD PRO 24 0.349 -9.203 -3.683 224 HD3 PRO 24 3HD PRO 24 1.812 -10.198 -3.545 Start of MODEL 20 1 H1 THR 1 H THR 1 1.498 1.108 -2.209 2 HA THR 1 HA THR 1 3.394 0.314 -1.231 3 HB THR 1 HB THR 1 3.247 -0.819 0.936 4 HG1 THR 1 HG1 THR 1 0.478 -0.946 0.293 5 HG21 THR 1 3HG2 THR 1 1.713 1.652 0.362 6 HG22 THR 1 1HG2 THR 1 3.115 1.406 1.402 7 HG23 THR 1 2HG2 THR 1 1.509 0.938 1.962 8 H CYS 2 H CYS 2 2.681 -1.028 -3.443 9 HA CYS 2 HA CYS 2 3.440 -3.790 -2.791 10 HB2 CYS 2 2HB CYS 2 1.455 -3.106 -4.961 11 HB3 CYS 2 3HB CYS 2 1.890 -4.705 -4.367 12 H HIS 3 H HIS 3 5.516 -2.560 -3.338 13 HA HIS 3 HA HIS 3 5.962 -2.650 -6.250 14 HB2 HIS 3 2HB HIS 3 6.209 -0.405 -4.996 15 HB3 HIS 3 3HB HIS 3 7.689 -1.096 -4.337 16 HD1 HIS 3 HD1 HIS 3 8.630 1.087 -5.739 17 HD2 HIS 3 HD2 HIS 3 7.365 -2.212 -7.924 18 HE1 HIS 3 HE1 HIS 3 9.673 1.347 -8.012 19 H ILE 4 H ILE 4 6.754 -4.655 -6.582 20 HA ILE 4 HA ILE 4 9.409 -5.254 -5.902 21 HB ILE 4 HB ILE 4 8.585 -5.679 -3.663 22 HG12 ILE 4 2HG1 ILE 4 8.890 -8.460 -4.667 23 HG13 ILE 4 3HG1 ILE 4 10.180 -7.327 -5.056 24 HG21 ILE 4 1HG2 ILE 4 6.845 -7.199 -3.142 25 HG22 ILE 4 2HG2 ILE 4 6.228 -6.154 -4.420 26 HG23 ILE 4 3HG2 ILE 4 6.768 -7.788 -4.802 27 HD11 ILE 4 3HD1 ILE 4 11.015 -7.491 -3.016 28 HD12 ILE 4 1HD1 ILE 4 9.454 -7.118 -2.284 29 HD13 ILE 4 2HD1 ILE 4 9.855 -8.782 -2.709 30 H ARG 5 H ARG 5 10.114 -6.494 -7.504 31 HA ARG 5 HA ARG 5 8.320 -7.718 -9.344 32 HB2 ARG 5 2HB ARG 5 10.302 -8.421 -10.538 33 HB3 ARG 5 3HB ARG 5 10.512 -6.763 -9.994 34 HG2 ARG 5 2HG ARG 5 11.806 -7.667 -8.046 35 HG3 ARG 5 3HG ARG 5 11.745 -9.245 -8.834 36 HD2 ARG 5 2HD ARG 5 12.723 -8.027 -10.876 37 HD3 ARG 5 3HD ARG 5 13.116 -6.737 -9.741 38 HE ARG 5 HE ARG 5 14.813 -8.031 -8.918 39 HH11 ARG 5 1HH1 ARG 5 12.646 -10.037 -10.761 40 HH12 ARG 5 2HH1 ARG 5 13.667 -11.435 -10.686 41 HH21 ARG 5 1HH2 ARG 5 16.166 -9.864 -8.811 42 HH22 ARG 5 2HH2 ARG 5 15.669 -11.335 -9.576 43 H ARG 6 H ARG 6 10.325 -8.892 -6.707 44 HA ARG 6 HA ARG 6 9.917 -11.664 -7.298 45 HB2 ARG 6 2HB ARG 6 11.896 -10.881 -6.069 46 HB3 ARG 6 3HB ARG 6 10.864 -10.331 -4.755 47 HG2 ARG 6 2HG ARG 6 11.821 -12.406 -4.108 48 HG3 ARG 6 3HG ARG 6 10.115 -12.693 -4.457 49 HD2 ARG 6 2HD ARG 6 12.060 -13.052 -6.670 50 HD3 ARG 6 3HD ARG 6 12.041 -14.266 -5.392 51 HE ARG 6 HE ARG 6 9.444 -13.643 -6.473 52 HH11 ARG 6 1HH1 ARG 6 12.288 -15.630 -6.765 53 HH12 ARG 6 2HH1 ARG 6 11.472 -16.900 -7.616 54 HH21 ARG 6 1HH2 ARG 6 8.359 -15.308 -7.592 55 HH22 ARG 6 2HH2 ARG 6 9.237 -16.715 -8.086 56 H LYS 7 H LYS 7 7.561 -11.536 -7.520 57 HA LYS 7 HA LYS 7 5.867 -10.937 -5.340 58 HB2 LYS 7 2HB LYS 7 4.111 -11.688 -6.673 59 HB3 LYS 7 3HB LYS 7 5.305 -11.172 -7.856 60 HG2 LYS 7 2HG LYS 7 4.832 -14.010 -6.966 61 HG3 LYS 7 3HG LYS 7 4.270 -13.291 -8.477 62 HD2 LYS 7 2HD LYS 7 6.624 -12.852 -9.097 63 HD3 LYS 7 3HD LYS 7 7.139 -13.674 -7.622 64 HE2 LYS 7 2HE LYS 7 7.307 -15.278 -9.343 65 HE3 LYS 7 3HE LYS 7 5.840 -15.683 -8.453 66 HZ1 LYS 7 3HZ LYS 7 5.082 -13.925 -10.449 67 HZ2 LYS 7 1HZ LYS 7 4.761 -15.584 -10.368 68 HZ3 LYS 7 2HZ LYS 7 6.132 -15.027 -11.187 69 HA PRO 8 HA PRO 8 6.075 -14.511 -2.799 70 HB2 PRO 8 2HB PRO 8 3.514 -14.680 -1.913 71 HB3 PRO 8 3HB PRO 8 4.639 -13.431 -1.366 72 HG2 PRO 8 2HG PRO 8 2.487 -13.265 -3.440 73 HG3 PRO 8 3HG PRO 8 2.915 -12.097 -2.176 74 HD2 PRO 8 2HD PRO 8 3.694 -11.806 -4.753 75 HD3 PRO 8 3HD PRO 8 4.680 -11.243 -3.388 76 H LYS 9 H LYS 9 6.100 -16.628 -3.212 77 HA LYS 9 HA LYS 9 3.876 -18.042 -4.294 78 HB2 LYS 9 2HB LYS 9 5.108 -16.844 -6.283 79 HB3 LYS 9 3HB LYS 9 6.268 -18.152 -6.091 80 HG2 LYS 9 2HG LYS 9 3.428 -18.938 -6.231 81 HG3 LYS 9 3HG LYS 9 4.141 -18.287 -7.708 82 HD2 LYS 9 2HD LYS 9 5.451 -20.094 -8.020 83 HD3 LYS 9 3HD LYS 9 5.798 -20.263 -6.297 84 HE2 LYS 9 2HE LYS 9 3.691 -21.349 -5.922 85 HE3 LYS 9 3HE LYS 9 3.177 -21.025 -7.577 86 HZ1 LYS 9 3HZ LYS 9 3.879 -23.186 -7.724 87 HZ2 LYS 9 1HZ LYS 9 5.118 -22.995 -6.588 88 HZ3 LYS 9 2HZ LYS 9 5.302 -22.378 -8.152 89 H PHE 10 H PHE 10 4.205 -20.330 -4.331 90 HA PHE 10 HA PHE 10 4.935 -22.255 -3.355 91 HB2 PHE 10 2HB PHE 10 6.778 -21.558 -5.136 92 HB3 PHE 10 3HB PHE 10 7.774 -21.405 -3.693 93 HD1 PHE 10 HD2 PHE 10 6.898 -23.584 -2.014 94 HD2 PHE 10 HD1 PHE 10 7.433 -23.470 -6.235 95 HE1 PHE 10 HE2 PHE 10 7.290 -26.013 -2.026 96 HE2 PHE 10 HE1 PHE 10 7.825 -25.899 -6.254 97 HZ PHE 10 HZ PHE 10 7.755 -27.174 -4.148 98 H ARG 11 H ARG 11 4.158 -20.814 -1.381 99 HA ARG 11 HA ARG 11 6.330 -20.908 0.606 100 HB2 ARG 11 2HB ARG 11 5.369 -19.003 1.745 101 HB3 ARG 11 3HB ARG 11 5.679 -18.579 0.066 102 HG2 ARG 11 2HG ARG 11 2.977 -19.534 0.920 103 HG3 ARG 11 3HG ARG 11 3.461 -17.853 1.155 104 HD2 ARG 11 2HD ARG 11 4.189 -18.157 -1.400 105 HD3 ARG 11 3HD ARG 11 2.883 -19.340 -1.338 106 HE ARG 11 HE ARG 11 2.202 -16.759 -0.251 107 HH11 ARG 11 1HH1 ARG 11 2.322 -18.749 -3.105 108 HH12 ARG 11 2HH1 ARG 11 1.099 -17.850 -3.941 109 HH21 ARG 11 1HH2 ARG 11 0.592 -15.568 -1.342 110 HH22 ARG 11 2HH2 ARG 11 0.117 -16.040 -2.938 111 H LYS 12 H LYS 12 5.825 -21.704 2.638 112 HA LYS 12 HA LYS 12 3.533 -23.466 2.722 113 HB2 LYS 12 2HB LYS 12 5.566 -24.382 3.559 114 HB3 LYS 12 3HB LYS 12 5.849 -22.989 4.594 115 HG2 LYS 12 2HG LYS 12 4.690 -23.885 6.258 116 HG3 LYS 12 3HG LYS 12 3.326 -24.258 5.201 117 HD2 LYS 12 2HD LYS 12 5.781 -25.942 5.036 118 HD3 LYS 12 3HD LYS 12 4.679 -26.173 6.395 119 HE2 LYS 12 2HE LYS 12 2.828 -26.345 4.658 120 HE3 LYS 12 3HE LYS 12 4.112 -26.478 3.458 121 HZ1 LYS 12 3HZ LYS 12 3.598 -28.317 5.730 122 HZ2 LYS 12 1HZ LYS 12 4.966 -28.401 4.737 123 HZ3 LYS 12 2HZ LYS 12 3.428 -28.659 4.082 124 H PHE 13 H PHE 13 4.824 -21.037 5.000 125 HA PHE 13 HA PHE 13 2.198 -20.753 6.202 126 HB2 PHE 13 2HB PHE 13 4.965 -19.898 6.893 127 HB3 PHE 13 3HB PHE 13 3.634 -18.937 7.529 128 HD1 PHE 13 HD1 PHE 13 1.877 -20.076 8.921 129 HD2 PHE 13 HD2 PHE 13 5.546 -21.951 7.856 130 HE1 PHE 13 HE1 PHE 13 1.569 -21.703 10.741 131 HE2 PHE 13 HE2 PHE 13 5.244 -23.582 9.674 132 HZ PHE 13 HZ PHE 13 3.253 -23.460 11.118 133 H LYS 14 H LYS 14 1.665 -18.344 6.817 134 HA LYS 14 HA LYS 14 2.028 -16.647 4.441 135 HB2 LYS 14 2HB LYS 14 -0.533 -17.344 5.861 136 HB3 LYS 14 3HB LYS 14 -0.385 -15.883 4.894 137 HG2 LYS 14 2HG LYS 14 0.092 -18.674 3.871 138 HG3 LYS 14 3HG LYS 14 -1.407 -17.763 3.672 139 HD2 LYS 14 2HD LYS 14 0.286 -15.956 2.696 140 HD3 LYS 14 3HD LYS 14 1.229 -17.408 2.353 141 HE2 LYS 14 2HE LYS 14 -1.667 -17.227 1.599 142 HE3 LYS 14 3HE LYS 14 -0.415 -16.544 0.563 143 HZ1 LYS 14 3HZ LYS 14 -1.158 -19.283 0.959 144 HZ2 LYS 14 1HZ LYS 14 0.507 -19.036 1.132 145 HZ3 LYS 14 2HZ LYS 14 -0.272 -18.576 -0.297 146 H LEU 15 H LEU 15 2.366 -14.513 4.825 147 HA LEU 15 HA LEU 15 3.036 -12.674 5.992 148 HB2 LEU 15 2HB LEU 15 0.547 -13.560 7.385 149 HB3 LEU 15 3HB LEU 15 1.466 -12.197 8.021 150 HG LEU 15 HG LEU 15 -0.402 -11.459 6.632 151 HD11 LEU 15 1HD1 LEU 15 0.973 -9.742 6.312 152 HD12 LEU 15 2HD1 LEU 15 1.388 -10.473 4.761 153 HD13 LEU 15 3HD1 LEU 15 2.379 -10.799 6.183 154 HD21 LEU 15 3HD2 LEU 15 0.967 -12.649 4.245 155 HD22 LEU 15 1HD2 LEU 15 -0.675 -12.022 4.388 156 HD23 LEU 15 2HD2 LEU 15 -0.247 -13.553 5.151 157 H TYR 16 H TYR 16 4.355 -15.135 6.668 158 HA TYR 16 HA TYR 16 4.647 -15.587 9.399 159 HB2 TYR 16 2HB TYR 16 7.010 -16.363 8.702 160 HB3 TYR 16 3HB TYR 16 5.624 -17.195 8.007 161 HD1 TYR 16 HD2 TYR 16 7.556 -14.093 7.190 162 HD2 TYR 16 HD1 TYR 16 5.929 -17.772 5.803 163 HE1 TYR 16 HE2 TYR 16 8.406 -13.611 4.932 164 HE2 TYR 16 HE1 TYR 16 6.775 -17.300 3.542 165 HH TYR 16 HH TYR 16 8.943 -14.676 2.901 166 H HIS 17 H HIS 17 7.079 -15.247 10.324 167 HA HIS 17 HA HIS 17 7.287 -12.363 10.642 168 HB2 HIS 17 2HB HIS 17 7.271 -13.802 12.642 169 HB3 HIS 17 3HB HIS 17 8.738 -14.597 12.079 170 HD1 HIS 17 HD1 HIS 17 7.685 -11.001 12.791 171 HD2 HIS 17 HD2 HIS 17 10.922 -13.561 13.267 172 HE1 HIS 17 HE1 HIS 17 9.437 -9.654 13.992 173 H GLU 18 H GLU 18 8.070 -12.301 8.320 174 HA GLU 18 HA GLU 18 10.963 -12.117 8.363 175 HB2 GLU 18 2HB GLU 18 9.785 -14.400 7.285 176 HB3 GLU 18 3HB GLU 18 10.141 -13.395 5.887 177 HG2 GLU 18 2HG GLU 18 12.002 -14.822 6.252 178 HG3 GLU 18 3HG GLU 18 12.479 -13.189 6.712 179 H GLY 19 H GLY 19 10.734 -9.907 8.116 180 HA2 GLY 19 2HA GLY 19 10.626 -7.955 6.908 181 HA3 GLY 19 3HA GLY 19 10.508 -8.945 5.461 182 H LYS 20 H LYS 20 8.957 -6.662 7.247 183 HA LYS 20 HA LYS 20 6.250 -7.575 6.957 184 HB2 LYS 20 2HB LYS 20 7.601 -5.129 7.961 185 HB3 LYS 20 3HB LYS 20 5.948 -4.941 7.391 186 HG2 LYS 20 2HG LYS 20 5.558 -5.397 9.585 187 HG3 LYS 20 3HG LYS 20 5.534 -7.036 8.931 188 HD2 LYS 20 2HD LYS 20 7.644 -7.535 9.773 189 HD3 LYS 20 3HD LYS 20 8.089 -5.835 9.933 190 HE2 LYS 20 2HE LYS 20 6.761 -5.557 11.849 191 HE3 LYS 20 3HE LYS 20 5.870 -7.049 11.550 192 HZ1 LYS 20 3HZ LYS 20 8.329 -6.655 12.955 193 HZ2 LYS 20 1HZ LYS 20 8.462 -7.858 11.773 194 HZ3 LYS 20 2HZ LYS 20 7.278 -7.980 12.975 195 H PHE 21 H PHE 21 5.933 -8.016 4.780 196 HA PHE 21 HA PHE 21 4.980 -5.931 3.180 197 HB2 PHE 21 2HB PHE 21 7.690 -5.859 3.117 198 HB3 PHE 21 3HB PHE 21 7.373 -6.961 1.782 199 HD1 PHE 21 HD1 PHE 21 5.237 -6.062 0.307 200 HD2 PHE 21 HD2 PHE 21 8.013 -3.688 2.492 201 HE1 PHE 21 HE1 PHE 21 4.748 -4.147 -1.159 202 HE2 PHE 21 HE2 PHE 21 7.527 -1.769 1.031 203 HZ PHE 21 HZ PHE 21 5.892 -1.997 -0.797 204 H TRP 22 H TRP 22 3.321 -7.070 2.415 205 HA TRP 22 HA TRP 22 3.909 -9.510 0.894 206 HB2 TRP 22 2HB TRP 22 2.001 -9.196 3.172 207 HB3 TRP 22 3HB TRP 22 1.560 -10.268 1.846 208 HD1 TRP 22 HD1 TRP 22 4.382 -9.825 4.456 209 HE1 TRP 22 HE1 TRP 22 5.398 -12.141 4.932 210 HE3 TRP 22 HE3 TRP 22 1.776 -12.575 1.023 211 HZ2 TRP 22 HZ2 TRP 22 5.131 -14.785 3.977 212 HZ3 TRP 22 HZ3 TRP 22 2.216 -14.991 0.868 213 HH2 TRP 22 HH2 TRP 22 3.860 -16.071 2.315 214 H CYS 23 H CYS 23 3.734 -8.013 -0.905 215 HA CYS 23 HA CYS 23 1.217 -8.101 -2.150 216 HB2 CYS 23 2HB CYS 23 0.868 -6.252 -0.416 217 HB3 CYS 23 3HB CYS 23 1.984 -5.289 -1.380 218 HA PRO 24 HA PRO 24 4.630 -7.676 -5.103 219 HB2 PRO 24 2HB PRO 24 3.372 -9.058 -7.072 220 HB3 PRO 24 3HB PRO 24 4.232 -9.846 -5.744 221 HG2 PRO 24 2HG PRO 24 1.298 -9.350 -6.070 222 HG3 PRO 24 3HG PRO 24 2.129 -10.806 -5.490 223 HD2 PRO 24 2HD PRO 24 0.979 -9.019 -3.812 224 HD3 PRO 24 3HD PRO 24 2.430 -9.943 -3.374
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