NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
593700 | 2n58 | 25699 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H TYR 1 1.807 0.001 0.855 2 HA TYR 1 HA TYR 1 2.230 1.028 -1.546 3 HB2 TYR 1 2HB TYR 1 3.901 -0.236 -0.120 4 HB3 TYR 1 3HB TYR 1 3.343 -1.707 -0.911 5 HD1 TYR 1 HD2 TYR 1 3.990 1.684 -2.323 6 HD2 TYR 1 HD1 TYR 1 5.104 -2.422 -2.246 7 HE1 TYR 1 HE2 TYR 1 5.567 2.083 -4.168 8 HE2 TYR 1 HE1 TYR 1 6.685 -2.033 -4.091 9 HH TYR 1 HH TYR 1 6.875 1.087 -5.720 10 H ALA 2 H ALA 2 1.963 0.587 -3.701 11 HA ALA 2 HA ALA 2 0.415 -1.817 -4.400 12 HB1 ALA 2 1HB ALA 2 -0.667 0.703 -4.348 13 HB2 ALA 2 2HB ALA 2 -0.213 0.510 -6.041 14 HB3 ALA 2 3HB ALA 2 -1.285 -0.663 -5.276 15 H GLU 3 H GLU 3 0.594 -2.469 -6.640 16 HA GLU 3 HA GLU 3 3.244 -1.847 -7.713 17 HB2 GLU 3 2HB GLU 3 1.303 -4.089 -8.283 18 HB3 GLU 3 3HB GLU 3 2.803 -3.857 -9.170 19 HG2 GLU 3 2HG GLU 3 4.116 -4.299 -7.263 20 HG3 GLU 3 3HG GLU 3 2.725 -4.174 -6.187 21 H LYS 4 H LYS 4 1.150 0.076 -8.016 22 HA LYS 4 HA LYS 4 0.207 -0.120 -10.746 23 HB2 LYS 4 2HB LYS 4 -0.970 0.988 -8.686 24 HB3 LYS 4 3HB LYS 4 0.030 2.376 -9.097 25 HG2 LYS 4 2HG LYS 4 -0.927 2.173 -11.444 26 HG3 LYS 4 3HG LYS 4 -2.114 1.072 -10.741 27 HD2 LYS 4 2HD LYS 4 -1.661 3.735 -9.470 28 HD3 LYS 4 3HD LYS 4 -2.625 3.637 -10.945 29 HE2 LYS 4 2HE LYS 4 -4.164 3.481 -9.167 30 HE3 LYS 4 3HE LYS 4 -3.973 1.838 -9.776 31 HZ1 LYS 4 3HZ LYS 4 -3.820 2.453 -7.208 32 HZ2 LYS 4 1HZ LYS 4 -2.189 2.631 -7.620 33 HZ3 LYS 4 2HZ LYS 4 -2.973 1.157 -7.889 34 H VAL 5 H VAL 5 2.036 2.412 -9.019 35 HA VAL 5 HA VAL 5 3.021 3.651 -11.335 36 HB VAL 5 HB VAL 5 3.017 4.822 -9.218 37 HG11 VAL 5 1HG1 VAL 5 3.434 2.955 -7.726 38 HG12 VAL 5 2HG1 VAL 5 5.082 2.806 -8.339 39 HG13 VAL 5 3HG1 VAL 5 4.603 4.241 -7.431 40 HG21 VAL 5 3HG2 VAL 5 4.981 4.964 -11.070 41 HG22 VAL 5 1HG2 VAL 5 4.850 6.048 -9.685 42 HG23 VAL 5 2HG2 VAL 5 5.930 4.655 -9.617 43 H ALA 6 H ALA 6 4.126 0.884 -9.549 44 HA ALA 6 HA ALA 6 6.796 0.794 -10.422 45 HB1 ALA 6 1HB ALA 6 4.873 -1.215 -9.350 46 HB2 ALA 6 2HB ALA 6 6.400 -1.767 -10.040 47 HB3 ALA 6 3HB ALA 6 6.401 -0.646 -8.678 48 H GLN 7 H GLN 7 4.205 -1.380 -11.549 49 HA GLN 7 HA GLN 7 5.522 -2.227 -13.850 50 HB2 GLN 7 2HB GLN 7 3.360 -3.051 -14.608 51 HB3 GLN 7 3HB GLN 7 3.569 -3.374 -12.892 52 HG2 GLN 7 2HG GLN 7 2.271 -1.165 -12.561 53 HG3 GLN 7 3HG GLN 7 1.772 -1.403 -14.235 54 HE21 GLN 7 1HE2 GLN 7 -0.323 -1.901 -13.976 55 HE22 GLN 7 2HE2 GLN 7 -0.908 -3.256 -13.078 56 H GLU 8 H GLU 8 3.734 0.674 -13.223 57 HA GLU 8 HA GLU 8 3.012 1.446 -15.797 58 HB2 GLU 8 2HB GLU 8 3.589 2.884 -13.256 59 HB3 GLU 8 3HB GLU 8 3.523 3.838 -14.731 60 HG2 GLU 8 2HG GLU 8 1.325 1.971 -13.894 61 HG3 GLU 8 3HG GLU 8 1.385 3.668 -13.419 62 H LYS 9 H LYS 9 5.918 2.486 -14.005 63 HA LYS 9 HA LYS 9 7.162 3.720 -16.201 64 HB2 LYS 9 2HB LYS 9 7.679 3.838 -13.638 65 HB3 LYS 9 3HB LYS 9 8.751 2.486 -13.979 66 HG2 LYS 9 2HG LYS 9 10.130 4.347 -14.129 67 HG3 LYS 9 3HG LYS 9 9.740 3.980 -15.810 68 HD2 LYS 9 2HD LYS 9 9.461 6.292 -15.670 69 HD3 LYS 9 3HD LYS 9 7.818 5.664 -15.515 70 HE2 LYS 9 2HE LYS 9 8.054 5.824 -13.046 71 HE3 LYS 9 3HE LYS 9 9.627 6.585 -13.283 72 HZ1 LYS 9 3HZ LYS 9 7.828 8.195 -12.922 73 HZ2 LYS 9 1HZ LYS 9 7.060 7.652 -14.328 74 HZ3 LYS 9 2HZ LYS 9 8.573 8.400 -14.426 75 H GLY 10 H GLY 10 8.171 0.678 -14.622 76 HA2 GLY 10 2HA GLY 10 8.211 -0.964 -16.836 77 HA3 GLY 10 3HA GLY 10 9.751 -0.117 -16.863 78 H PHE 11 H PHE 11 11.152 -1.703 -16.339 79 HA PHE 11 HA PHE 11 10.600 -3.307 -13.943 80 HB2 PHE 11 2HB PHE 11 11.124 -4.500 -16.077 81 HB3 PHE 11 3HB PHE 11 12.719 -3.756 -16.052 82 HD1 PHE 11 HD1 PHE 11 14.355 -4.386 -14.336 83 HD2 PHE 11 HD2 PHE 11 10.585 -6.335 -14.656 84 HE1 PHE 11 HE1 PHE 11 15.196 -6.232 -12.943 85 HE2 PHE 11 HE2 PHE 11 11.419 -8.184 -13.263 86 HZ PHE 11 HZ PHE 11 13.727 -8.134 -12.404 87 H LEU 12 H LEU 12 13.312 -1.610 -15.514 88 HA LEU 12 HA LEU 12 15.136 -1.717 -13.443 89 HB2 LEU 12 2HB LEU 12 14.718 0.611 -15.311 90 HB3 LEU 12 3HB LEU 12 16.195 0.222 -14.431 91 HG LEU 12 HG LEU 12 15.016 -1.608 -16.510 92 HD11 LEU 12 1HD1 LEU 12 17.135 -0.518 -17.753 93 HD12 LEU 12 2HD1 LEU 12 16.571 0.876 -16.832 94 HD13 LEU 12 3HD1 LEU 12 15.481 0.060 -17.953 95 HD21 LEU 12 3HD2 LEU 12 16.538 -2.826 -15.263 96 HD22 LEU 12 1HD2 LEU 12 17.590 -1.435 -14.996 97 HD23 LEU 12 2HD2 LEU 12 17.538 -2.210 -16.579 98 H TYR 13 H TYR 13 12.398 0.434 -13.878 99 HA TYR 13 HA TYR 13 12.996 2.364 -11.959 100 HB2 TYR 13 2HB TYR 13 11.163 2.722 -13.461 101 HB3 TYR 13 3HB TYR 13 10.341 1.272 -12.898 102 HD1 TYR 13 HD2 TYR 13 11.185 4.754 -12.094 103 HD2 TYR 13 HD1 TYR 13 9.074 1.277 -10.845 104 HE1 TYR 13 HE2 TYR 13 9.958 6.099 -10.440 105 HE2 TYR 13 HE1 TYR 13 7.840 2.614 -9.189 106 HH TYR 13 HH TYR 13 8.748 5.767 -8.329 107 H ARG 14 H ARG 14 11.310 -0.737 -11.616 108 HA ARG 14 HA ARG 14 10.562 -0.536 -8.949 109 HB2 ARG 14 2HB ARG 14 11.149 -2.807 -10.790 110 HB3 ARG 14 3HB ARG 14 10.992 -3.154 -9.073 111 HG2 ARG 14 2HG ARG 14 8.784 -1.729 -9.352 112 HG3 ARG 14 3HG ARG 14 8.947 -2.263 -11.026 113 HD2 ARG 14 2HD ARG 14 9.337 -4.605 -9.886 114 HD3 ARG 14 3HD ARG 14 8.454 -3.854 -8.557 115 HE ARG 14 HE ARG 14 7.125 -3.520 -11.061 116 HH11 ARG 14 1HH1 ARG 14 7.683 -5.756 -8.451 117 HH12 ARG 14 2HH1 ARG 14 6.208 -6.627 -8.709 118 HH21 ARG 14 1HH2 ARG 14 5.179 -4.659 -11.409 119 HH22 ARG 14 2HH2 ARG 14 4.785 -6.003 -10.392 120 H LEU 15 H LEU 15 13.678 -1.183 -10.364 121 HA LEU 15 HA LEU 15 14.890 -2.152 -7.953 122 HB2 LEU 15 2HB LEU 15 16.324 -0.995 -10.327 123 HB3 LEU 15 3HB LEU 15 16.927 -2.166 -9.155 124 HG LEU 15 HG LEU 15 14.750 -2.725 -11.167 125 HD11 LEU 15 1HD1 LEU 15 16.769 -2.365 -12.380 126 HD12 LEU 15 2HD1 LEU 15 16.517 -4.107 -12.269 127 HD13 LEU 15 3HD1 LEU 15 17.701 -3.319 -11.226 128 HD21 LEU 15 3HD2 LEU 15 15.162 -5.064 -10.548 129 HD22 LEU 15 1HD2 LEU 15 14.602 -4.107 -9.177 130 HD23 LEU 15 2HD2 LEU 15 16.309 -4.529 -9.319 131 H THR 16 H THR 16 14.086 -0.361 -6.596 132 HA THR 16 HA THR 16 16.082 1.776 -6.496 133 HB THR 16 HB THR 16 14.096 3.324 -5.795 134 HG1 THR 16 HG1 THR 16 12.799 1.396 -7.450 135 HG21 THR 16 3HG2 THR 16 13.682 3.618 -8.427 136 HG22 THR 16 1HG2 THR 16 15.126 2.607 -8.477 137 HG23 THR 16 2HG2 THR 16 15.160 4.151 -7.625 138 H SER 17 H SER 17 16.216 2.827 -4.409 139 HA SER 17 HA SER 17 16.268 1.088 -2.261 140 HB2 SER 17 2HB SER 17 17.268 3.516 -2.613 141 HB3 SER 17 3HB SER 17 15.822 3.994 -1.724 142 HG SER 17 HG SER 17 18.074 2.655 -0.857 143 H ARG 18 H ARG 18 13.806 3.538 -3.027 144 HA ARG 18 HA ARG 18 12.134 3.199 -0.858 145 HB2 ARG 18 2HB ARG 18 11.704 4.036 -3.690 146 HB3 ARG 18 3HB ARG 18 10.293 3.727 -2.688 147 HG2 ARG 18 2HG ARG 18 10.630 5.996 -2.423 148 HG3 ARG 18 3HG ARG 18 11.424 5.317 -1.001 149 HD2 ARG 18 2HD ARG 18 13.529 5.787 -1.783 150 HD3 ARG 18 3HD ARG 18 13.032 5.719 -3.473 151 HE ARG 18 HE ARG 18 12.572 7.956 -3.385 152 HH11 ARG 18 1HH1 ARG 18 12.795 6.718 -0.139 153 HH12 ARG 18 2HH1 ARG 18 12.697 8.281 0.603 154 HH21 ARG 18 1HH2 ARG 18 12.442 10.019 -2.420 155 HH22 ARG 18 2HH2 ARG 18 12.495 10.157 -0.695 156 H TYR 19 H TYR 19 12.089 1.425 -3.939 157 HA TYR 19 HA TYR 19 9.898 -0.226 -3.340 158 HB2 TYR 19 2HB TYR 19 10.630 -0.052 -5.611 159 HB3 TYR 19 3HB TYR 19 12.246 -0.612 -5.198 160 HD1 TYR 19 HD1 TYR 19 8.712 -1.665 -5.510 161 HD2 TYR 19 HD2 TYR 19 12.758 -2.924 -5.131 162 HE1 TYR 19 HE1 TYR 19 8.035 -3.973 -6.022 163 HE2 TYR 19 HE2 TYR 19 12.093 -5.236 -5.644 164 HH TYR 19 HH TYR 19 9.845 -6.600 -5.399 165 H ARG 20 H ARG 20 13.382 -0.718 -2.890 166 HA ARG 20 HA ARG 20 13.205 -3.347 -1.884 167 HB2 ARG 20 2HB ARG 20 15.296 -1.193 -1.605 168 HB3 ARG 20 3HB ARG 20 15.488 -2.787 -0.887 169 HG2 ARG 20 2HG ARG 20 15.828 -3.804 -2.888 170 HG3 ARG 20 3HG ARG 20 14.807 -2.664 -3.767 171 HD2 ARG 20 2HD ARG 20 16.621 -1.563 -4.417 172 HD3 ARG 20 3HD ARG 20 16.997 -1.208 -2.731 173 HE ARG 20 HE ARG 20 18.268 -3.154 -4.416 174 HH11 ARG 20 1HH1 ARG 20 17.520 -2.276 -1.131 175 HH12 ARG 20 2HH1 ARG 20 18.844 -3.166 -0.454 176 HH21 ARG 20 1HH2 ARG 20 20.014 -4.329 -3.537 177 HH22 ARG 20 2HH2 ARG 20 20.263 -4.332 -1.824 178 H HIS 21 H HIS 21 12.724 -0.233 -0.429 179 HA HIS 21 HA HIS 21 13.021 -1.061 2.282 180 HB2 HIS 21 2HB HIS 21 12.934 1.353 1.116 181 HB3 HIS 21 3HB HIS 21 11.254 1.238 1.632 182 HD1 HIS 21 HD1 HIS 21 14.312 0.053 3.537 183 HD2 HIS 21 HD2 HIS 21 11.267 2.866 3.816 184 HE1 HIS 21 HE1 HIS 21 14.569 1.099 5.809 185 H TYR 22 H TYR 22 10.094 -0.133 0.460 186 HA TYR 22 HA TYR 22 8.239 -1.013 2.332 187 HB2 TYR 22 2HB TYR 22 7.887 -1.016 -0.672 188 HB3 TYR 22 3HB TYR 22 6.606 -0.961 0.534 189 HD1 TYR 22 HD1 TYR 22 7.235 1.059 2.374 190 HD2 TYR 22 HD2 TYR 22 8.116 0.981 -1.788 191 HE1 TYR 22 HE1 TYR 22 7.314 3.517 2.351 192 HE2 TYR 22 HE2 TYR 22 8.199 3.439 -1.822 193 HH TYR 22 HH TYR 22 8.007 5.326 1.127 194 H ALA 23 H ALA 23 10.153 -2.807 0.080 195 HA ALA 23 HA ALA 23 8.562 -5.170 0.028 196 HB1 ALA 23 1HB ALA 23 10.076 -4.852 -1.764 197 HB2 ALA 23 2HB ALA 23 11.441 -4.641 -0.667 198 HB3 ALA 23 3HB ALA 23 10.683 -6.224 -0.837 199 H ALA 24 H ALA 24 10.894 -3.868 2.229 200 HA ALA 24 HA ALA 24 11.402 -6.388 3.555 201 HB1 ALA 24 1HB ALA 24 13.169 -4.718 3.432 202 HB2 ALA 24 2HB ALA 24 12.170 -3.578 4.335 203 HB3 ALA 24 3HB ALA 24 12.742 -5.055 5.110 204 H PHE 25 H PHE 25 9.344 -3.588 3.976 205 HA PHE 25 HA PHE 25 8.438 -4.518 6.586 206 HB2 PHE 25 2HB PHE 25 7.789 -2.054 4.962 207 HB3 PHE 25 3HB PHE 25 7.019 -2.431 6.500 208 HD1 PHE 25 HD1 PHE 25 8.254 -2.288 8.578 209 HD2 PHE 25 HD2 PHE 25 10.088 -1.338 4.857 210 HE1 PHE 25 HE1 PHE 25 10.105 -1.194 9.774 211 HE2 PHE 25 HE2 PHE 25 11.942 -0.244 6.046 212 HZ PHE 25 HZ PHE 25 11.953 -0.171 8.508 213 H GLU 26 H GLU 26 6.732 -3.375 3.668 214 HA GLU 26 HA GLU 26 4.271 -4.488 4.215 215 HB2 GLU 26 2HB GLU 26 5.488 -4.244 1.460 216 HB3 GLU 26 3HB GLU 26 3.776 -4.285 1.855 217 HG2 GLU 26 2HG GLU 26 5.758 -2.094 2.320 218 HG3 GLU 26 3HG GLU 26 4.225 -2.040 1.452 219 H ARG 27 H ARG 27 6.923 -5.938 2.337 220 HA ARG 27 HA ARG 27 5.543 -8.526 2.481 221 HB2 ARG 27 2HB ARG 27 7.967 -7.890 0.808 222 HB3 ARG 27 3HB ARG 27 6.844 -9.230 0.625 223 HG2 ARG 27 2HG ARG 27 5.125 -7.235 0.281 224 HG3 ARG 27 3HG ARG 27 6.597 -6.412 -0.240 225 HD2 ARG 27 2HD ARG 27 6.929 -8.660 -1.600 226 HD3 ARG 27 3HD ARG 27 5.173 -8.721 -1.453 227 HE ARG 27 HE ARG 27 5.871 -6.168 -2.332 228 HH11 ARG 27 1HH1 ARG 27 5.981 -9.460 -3.458 229 HH12 ARG 27 2HH1 ARG 27 5.847 -9.030 -5.131 230 HH21 ARG 27 1HH2 ARG 27 5.695 -5.588 -4.531 231 HH22 ARG 27 2HH2 ARG 27 5.686 -6.827 -5.740 232 H ALA 28 H ALA 28 6.690 -7.651 4.838 233 HA ALA 28 HA ALA 28 9.308 -8.311 5.381 234 HB1 ALA 28 1HB ALA 28 7.982 -7.256 7.055 235 HB2 ALA 28 2HB ALA 28 6.863 -8.619 7.111 236 HB3 ALA 28 3HB ALA 28 8.514 -8.808 7.702 237 H THR 29 H THR 29 6.588 -10.492 6.133 238 HA THR 29 HA THR 29 8.317 -12.773 6.251 239 HB THR 29 HB THR 29 6.216 -12.500 7.618 240 HG1 THR 29 HG1 THR 29 6.545 -14.836 6.018 241 HG21 THR 29 3HG2 THR 29 4.089 -12.984 6.653 242 HG22 THR 29 1HG2 THR 29 4.817 -13.393 5.100 243 HG23 THR 29 2HG2 THR 29 4.826 -11.723 5.666 244 H PHE 30 H PHE 30 6.157 -11.378 3.873 245 HA PHE 30 HA PHE 30 6.797 -13.588 2.035 246 HB2 PHE 30 2HB PHE 30 4.774 -13.055 0.821 247 HB3 PHE 30 3HB PHE 30 4.378 -13.251 2.525 248 HD1 PHE 30 HD1 PHE 30 3.802 -11.312 3.898 249 HD2 PHE 30 HD2 PHE 30 4.549 -10.944 -0.276 250 HE1 PHE 30 HE1 PHE 30 2.740 -9.093 3.907 251 HE2 PHE 30 HE2 PHE 30 3.489 -8.724 -0.274 252 HZ PHE 30 HZ PHE 30 2.583 -7.795 1.820 Start of MODEL 2 1 H1 TYR 1 H TYR 1 -1.237 -3.445 -3.606 2 HA TYR 1 HA TYR 1 0.828 -2.174 -1.946 3 HB2 TYR 1 2HB TYR 1 0.852 -4.697 -2.514 4 HB3 TYR 1 3HB TYR 1 1.367 -4.185 -4.117 5 HD1 TYR 1 HD1 TYR 1 3.487 -2.779 -4.297 6 HD2 TYR 1 HD2 TYR 1 2.402 -4.891 -0.766 7 HE1 TYR 1 HE1 TYR 1 5.815 -2.653 -3.514 8 HE2 TYR 1 HE2 TYR 1 4.727 -4.770 0.027 9 HH TYR 1 HH TYR 1 7.064 -2.760 -1.428 10 H ALA 2 H ALA 2 -0.040 -2.713 -5.355 11 HA ALA 2 HA ALA 2 0.794 -0.031 -6.025 12 HB1 ALA 2 1HB ALA 2 2.138 -2.217 -7.568 13 HB2 ALA 2 2HB ALA 2 2.559 -0.507 -7.457 14 HB3 ALA 2 3HB ALA 2 2.858 -1.579 -6.089 15 H GLU 3 H GLU 3 -0.029 0.691 -8.001 16 HA GLU 3 HA GLU 3 -1.866 -1.179 -9.348 17 HB2 GLU 3 2HB GLU 3 -3.005 0.564 -7.950 18 HB3 GLU 3 3HB GLU 3 -2.300 1.790 -8.994 19 HG2 GLU 3 2HG GLU 3 -4.682 1.139 -9.483 20 HG3 GLU 3 3HG GLU 3 -3.565 1.095 -10.846 21 H LYS 4 H LYS 4 -0.629 2.107 -9.964 22 HA LYS 4 HA LYS 4 0.322 1.160 -12.586 23 HB2 LYS 4 2HB LYS 4 -0.335 3.302 -13.561 24 HB3 LYS 4 3HB LYS 4 -1.725 2.485 -12.859 25 HG2 LYS 4 2HG LYS 4 -0.266 4.434 -11.165 26 HG3 LYS 4 3HG LYS 4 -1.266 5.058 -12.478 27 HD2 LYS 4 2HD LYS 4 -2.432 2.982 -10.697 28 HD3 LYS 4 3HD LYS 4 -2.250 4.617 -10.057 29 HE2 LYS 4 2HE LYS 4 -3.465 4.275 -12.752 30 HE3 LYS 4 3HE LYS 4 -4.435 3.863 -11.339 31 HZ1 LYS 4 3HZ LYS 4 -3.320 6.278 -10.719 32 HZ2 LYS 4 1HZ LYS 4 -4.911 6.015 -11.230 33 HZ3 LYS 4 2HZ LYS 4 -3.719 6.433 -12.356 34 H VAL 5 H VAL 5 1.691 1.564 -9.977 35 HA VAL 5 HA VAL 5 3.636 3.615 -10.817 36 HB VAL 5 HB VAL 5 2.498 4.171 -8.700 37 HG11 VAL 5 1HG1 VAL 5 3.804 1.673 -7.627 38 HG12 VAL 5 2HG1 VAL 5 2.848 2.838 -6.709 39 HG13 VAL 5 3HG1 VAL 5 2.082 1.857 -7.959 40 HG21 VAL 5 3HG2 VAL 5 4.373 5.082 -7.842 41 HG22 VAL 5 1HG2 VAL 5 5.205 3.530 -7.742 42 HG23 VAL 5 2HG2 VAL 5 5.133 4.394 -9.278 43 H ALA 6 H ALA 6 3.128 0.324 -9.877 44 HA ALA 6 HA ALA 6 5.956 -0.238 -9.554 45 HB1 ALA 6 1HB ALA 6 3.503 -1.978 -9.438 46 HB2 ALA 6 2HB ALA 6 5.145 -2.602 -9.272 47 HB3 ALA 6 3HB ALA 6 4.519 -1.443 -8.099 48 H GLN 7 H GLN 7 3.412 -1.655 -11.622 49 HA GLN 7 HA GLN 7 5.151 -2.890 -13.422 50 HB2 GLN 7 2HB GLN 7 2.852 -3.550 -13.367 51 HB3 GLN 7 3HB GLN 7 2.313 -1.921 -13.755 52 HG2 GLN 7 2HG GLN 7 2.922 -2.107 -15.978 53 HG3 GLN 7 3HG GLN 7 4.049 -3.426 -15.663 54 HE21 GLN 7 1HE2 GLN 7 2.917 -4.401 -17.494 55 HE22 GLN 7 2HE2 GLN 7 1.461 -5.282 -17.196 56 H GLU 8 H GLU 8 4.152 0.407 -13.153 57 HA GLU 8 HA GLU 8 4.808 1.174 -15.830 58 HB2 GLU 8 2HB GLU 8 4.005 2.557 -13.333 59 HB3 GLU 8 3HB GLU 8 4.911 3.510 -14.501 60 HG2 GLU 8 2HG GLU 8 2.494 1.935 -15.307 61 HG3 GLU 8 3HG GLU 8 2.360 3.554 -14.621 62 H LYS 9 H LYS 9 6.524 2.750 -16.343 63 HA LYS 9 HA LYS 9 8.720 3.321 -16.490 64 HB2 LYS 9 2HB LYS 9 8.728 2.854 -13.502 65 HB3 LYS 9 3HB LYS 9 9.933 3.754 -14.413 66 HG2 LYS 9 2HG LYS 9 7.032 4.533 -14.300 67 HG3 LYS 9 3HG LYS 9 8.250 5.138 -13.175 68 HD2 LYS 9 2HD LYS 9 9.549 5.805 -15.310 69 HD3 LYS 9 3HD LYS 9 7.993 5.618 -16.122 70 HE2 LYS 9 2HE LYS 9 8.296 7.307 -13.659 71 HE3 LYS 9 3HE LYS 9 8.634 7.949 -15.265 72 HZ1 LYS 9 3HZ LYS 9 6.450 7.851 -15.867 73 HZ2 LYS 9 1HZ LYS 9 6.267 8.146 -14.211 74 HZ3 LYS 9 2HZ LYS 9 6.083 6.577 -14.816 75 H GLY 10 H GLY 10 7.937 0.542 -16.815 76 HA2 GLY 10 2HA GLY 10 8.925 -1.504 -17.133 77 HA3 GLY 10 3HA GLY 10 10.455 -0.642 -17.083 78 H PHE 11 H PHE 11 10.992 -2.846 -16.120 79 HA PHE 11 HA PHE 11 10.180 -3.250 -13.380 80 HB2 PHE 11 2HB PHE 11 10.540 -5.220 -14.707 81 HB3 PHE 11 3HB PHE 11 12.156 -4.686 -15.158 82 HD1 PHE 11 HD1 PHE 11 10.085 -6.016 -12.427 83 HD2 PHE 11 HD2 PHE 11 14.019 -5.024 -13.716 84 HE1 PHE 11 HE1 PHE 11 11.019 -7.243 -10.510 85 HE2 PHE 11 HE2 PHE 11 14.959 -6.251 -11.801 86 HZ PHE 11 HZ PHE 11 13.459 -7.363 -10.196 87 H LEU 12 H LEU 12 12.944 -1.967 -15.103 88 HA LEU 12 HA LEU 12 14.884 -1.965 -13.141 89 HB2 LEU 12 2HB LEU 12 14.358 0.296 -15.061 90 HB3 LEU 12 3HB LEU 12 15.890 -0.105 -14.288 91 HG LEU 12 HG LEU 12 14.656 -2.173 -16.022 92 HD11 LEU 12 1HD1 LEU 12 15.822 0.406 -17.027 93 HD12 LEU 12 2HD1 LEU 12 14.294 -0.355 -17.469 94 HD13 LEU 12 3HD1 LEU 12 15.819 -1.073 -17.988 95 HD21 LEU 12 3HD2 LEU 12 17.366 -1.291 -15.161 96 HD22 LEU 12 1HD2 LEU 12 17.199 -2.158 -16.688 97 HD23 LEU 12 2HD2 LEU 12 16.657 -2.906 -15.185 98 H TYR 13 H TYR 13 12.042 0.033 -13.427 99 HA TYR 13 HA TYR 13 12.766 2.091 -11.654 100 HB2 TYR 13 2HB TYR 13 10.858 2.403 -13.060 101 HB3 TYR 13 3HB TYR 13 10.075 0.960 -12.426 102 HD1 TYR 13 HD1 TYR 13 10.880 4.476 -11.783 103 HD2 TYR 13 HD2 TYR 13 8.954 0.995 -10.275 104 HE1 TYR 13 HE1 TYR 13 9.721 5.851 -10.106 105 HE2 TYR 13 HE2 TYR 13 7.789 2.361 -8.594 106 HH TYR 13 HH TYR 13 8.669 5.520 -7.862 107 H ARG 14 H ARG 14 11.105 -0.995 -11.108 108 HA ARG 14 HA ARG 14 10.515 -0.688 -8.407 109 HB2 ARG 14 2HB ARG 14 11.285 -3.234 -9.847 110 HB3 ARG 14 3HB ARG 14 10.438 -3.139 -8.308 111 HG2 ARG 14 2HG ARG 14 9.070 -1.598 -10.318 112 HG3 ARG 14 3HG ARG 14 9.316 -3.261 -10.853 113 HD2 ARG 14 2HD ARG 14 7.302 -3.398 -9.724 114 HD3 ARG 14 3HD ARG 14 8.461 -3.884 -8.487 115 HE ARG 14 HE ARG 14 7.847 -1.069 -8.496 116 HH11 ARG 14 1HH1 ARG 14 6.957 -4.211 -7.289 117 HH12 ARG 14 2HH1 ARG 14 6.137 -3.588 -5.896 118 HH21 ARG 14 1HH2 ARG 14 6.771 -0.236 -6.665 119 HH22 ARG 14 2HH2 ARG 14 6.031 -1.326 -5.542 120 H LEU 15 H LEU 15 13.536 -1.341 -9.982 121 HA LEU 15 HA LEU 15 14.880 -2.262 -7.610 122 HB2 LEU 15 2HB LEU 15 16.111 -1.268 -10.172 123 HB3 LEU 15 3HB LEU 15 16.867 -2.283 -8.946 124 HG LEU 15 HG LEU 15 14.517 -3.168 -10.611 125 HD11 LEU 15 1HD1 LEU 15 17.448 -3.705 -11.072 126 HD12 LEU 15 2HD1 LEU 15 16.426 -2.661 -12.060 127 HD13 LEU 15 3HD1 LEU 15 16.103 -4.393 -11.982 128 HD21 LEU 15 3HD2 LEU 15 16.409 -4.523 -8.713 129 HD22 LEU 15 1HD2 LEU 15 15.493 -5.424 -9.922 130 HD23 LEU 15 2HD2 LEU 15 14.645 -4.496 -8.685 131 H THR 16 H THR 16 13.861 -0.149 -6.606 132 HA THR 16 HA THR 16 15.916 1.961 -6.743 133 HB THR 16 HB THR 16 13.991 3.397 -5.718 134 HG1 THR 16 HG1 THR 16 11.944 2.622 -6.715 135 HG21 THR 16 3HG2 THR 16 14.588 2.665 -8.512 136 HG22 THR 16 1HG2 THR 16 14.578 4.246 -7.732 137 HG23 THR 16 2HG2 THR 16 13.062 3.509 -8.252 138 H SER 17 H SER 17 15.892 3.320 -4.643 139 HA SER 17 HA SER 17 16.604 1.583 -2.508 140 HB2 SER 17 2HB SER 17 17.509 3.953 -3.078 141 HB3 SER 17 3HB SER 17 16.125 4.530 -2.150 142 HG SER 17 HG SER 17 18.054 4.247 -0.890 143 H ARG 18 H ARG 18 13.806 3.610 -3.189 144 HA ARG 18 HA ARG 18 12.568 3.382 -0.665 145 HB2 ARG 18 2HB ARG 18 11.133 3.713 -3.298 146 HB3 ARG 18 3HB ARG 18 10.606 4.252 -1.709 147 HG2 ARG 18 2HG ARG 18 12.917 5.343 -3.300 148 HG3 ARG 18 3HG ARG 18 11.368 6.134 -3.003 149 HD2 ARG 18 2HD ARG 18 11.905 5.992 -0.542 150 HD3 ARG 18 3HD ARG 18 13.529 5.488 -1.009 151 HE ARG 18 HE ARG 18 12.944 7.853 -2.366 152 HH11 ARG 18 1HH1 ARG 18 13.430 6.747 0.899 153 HH12 ARG 18 2HH1 ARG 18 14.037 8.268 1.463 154 HH21 ARG 18 1HH2 ARG 18 13.742 9.861 -1.636 155 HH22 ARG 18 2HH2 ARG 18 14.213 10.039 0.021 156 H TYR 19 H TYR 19 12.134 1.538 -3.674 157 HA TYR 19 HA TYR 19 10.102 -0.156 -2.884 158 HB2 TYR 19 2HB TYR 19 10.828 -0.166 -5.165 159 HB3 TYR 19 3HB TYR 19 12.455 -0.659 -4.710 160 HD1 TYR 19 HD2 TYR 19 8.919 -1.822 -4.682 161 HD2 TYR 19 HD1 TYR 19 13.029 -2.922 -4.682 162 HE1 TYR 19 HE2 TYR 19 8.282 -4.178 -4.989 163 HE2 TYR 19 HE1 TYR 19 12.404 -5.281 -4.989 164 HH TYR 19 HH TYR 19 9.164 -6.381 -4.664 165 H ARG 20 H ARG 20 13.608 -0.750 -2.617 166 HA ARG 20 HA ARG 20 13.474 -3.208 -1.323 167 HB2 ARG 20 2HB ARG 20 15.557 -1.033 -1.054 168 HB3 ARG 20 3HB ARG 20 15.760 -2.690 -0.502 169 HG2 ARG 20 2HG ARG 20 15.126 -3.201 -3.029 170 HG3 ARG 20 3HG ARG 20 15.797 -1.583 -3.246 171 HD2 ARG 20 2HD ARG 20 17.607 -3.061 -3.538 172 HD3 ARG 20 3HD ARG 20 17.800 -2.391 -1.919 173 HE ARG 20 HE ARG 20 16.346 -4.770 -1.715 174 HH11 ARG 20 1HH1 ARG 20 19.542 -3.685 -2.568 175 HH12 ARG 20 2HH1 ARG 20 20.316 -5.150 -2.060 176 HH21 ARG 20 1HH2 ARG 20 17.353 -6.703 -1.043 177 HH22 ARG 20 2HH2 ARG 20 19.070 -6.866 -1.194 178 H HIS 21 H HIS 21 12.918 -0.011 -0.116 179 HA HIS 21 HA HIS 21 13.115 -0.815 2.666 180 HB2 HIS 21 2HB HIS 21 12.574 1.766 1.241 181 HB3 HIS 21 3HB HIS 21 12.160 1.607 2.945 182 HD1 HIS 21 HD1 HIS 21 14.524 0.181 4.101 183 HD2 HIS 21 HD2 HIS 21 14.899 3.137 1.206 184 HE1 HIS 21 HE1 HIS 21 16.869 1.057 4.336 185 H TYR 22 H TYR 22 10.716 -0.541 0.209 186 HA TYR 22 HA TYR 22 8.485 -0.435 2.043 187 HB2 TYR 22 2HB TYR 22 8.712 -0.693 -0.950 188 HB3 TYR 22 3HB TYR 22 7.167 -0.837 -0.119 189 HD1 TYR 22 HD2 TYR 22 7.166 1.210 1.872 190 HD2 TYR 22 HD1 TYR 22 8.820 1.333 -2.047 191 HE1 TYR 22 HE2 TYR 22 6.924 3.658 1.852 192 HE2 TYR 22 HE1 TYR 22 8.583 3.781 -2.077 193 HH TYR 22 HH TYR 22 6.730 5.470 -0.445 194 H ALA 23 H ALA 23 9.865 -2.821 -0.203 195 HA ALA 23 HA ALA 23 8.061 -4.898 0.517 196 HB1 ALA 23 1HB ALA 23 8.909 -5.523 -1.457 197 HB2 ALA 23 2HB ALA 23 10.393 -4.598 -1.221 198 HB3 ALA 23 3HB ALA 23 10.230 -6.202 -0.507 199 H ALA 24 H ALA 24 10.916 -3.638 1.948 200 HA ALA 24 HA ALA 24 11.432 -6.048 3.502 201 HB1 ALA 24 1HB ALA 24 13.398 -4.954 4.293 202 HB2 ALA 24 2HB ALA 24 13.290 -4.668 2.555 203 HB3 ALA 24 3HB ALA 24 12.841 -3.393 3.688 204 H PHE 25 H PHE 25 9.058 -4.034 3.724 205 HA PHE 25 HA PHE 25 9.058 -4.032 6.650 206 HB2 PHE 25 2HB PHE 25 8.735 -1.639 4.876 207 HB3 PHE 25 3HB PHE 25 7.872 -1.706 6.409 208 HD1 PHE 25 HD1 PHE 25 11.290 -2.103 4.989 209 HD2 PHE 25 HD2 PHE 25 8.911 -0.959 8.327 210 HE1 PHE 25 HE1 PHE 25 13.309 -1.314 6.153 211 HE2 PHE 25 HE2 PHE 25 10.926 -0.168 9.496 212 HZ PHE 25 HZ PHE 25 13.129 -0.344 8.409 213 H GLU 26 H GLU 26 7.115 -3.242 3.770 214 HA GLU 26 HA GLU 26 4.592 -3.491 4.857 215 HB2 GLU 26 2HB GLU 26 5.744 -3.753 2.148 216 HB3 GLU 26 3HB GLU 26 4.171 -4.503 2.380 217 HG2 GLU 26 2HG GLU 26 4.509 -1.739 3.378 218 HG3 GLU 26 3HG GLU 26 4.466 -1.972 1.631 219 H ARG 27 H ARG 27 6.800 -6.009 3.799 220 HA ARG 27 HA ARG 27 5.183 -7.983 5.201 221 HB2 ARG 27 2HB ARG 27 5.676 -7.970 2.258 222 HB3 ARG 27 3HB ARG 27 5.682 -9.515 3.097 223 HG2 ARG 27 2HG ARG 27 3.412 -7.586 3.406 224 HG3 ARG 27 3HG ARG 27 3.491 -8.713 2.051 225 HD2 ARG 27 2HD ARG 27 3.893 -10.491 3.910 226 HD3 ARG 27 3HD ARG 27 3.188 -9.274 4.972 227 HE ARG 27 HE ARG 27 1.464 -9.524 2.829 228 HH11 ARG 27 1HH1 ARG 27 2.722 -11.572 5.347 229 HH12 ARG 27 2HH1 ARG 27 1.315 -12.581 5.409 230 HH21 ARG 27 1HH2 ARG 27 -0.394 -10.844 2.901 231 HH22 ARG 27 2HH2 ARG 27 -0.457 -12.167 4.017 232 H ALA 28 H ALA 28 8.115 -7.333 3.320 233 HA ALA 28 HA ALA 28 10.280 -7.977 3.597 234 HB1 ALA 28 1HB ALA 28 10.773 -7.353 5.674 235 HB2 ALA 28 2HB ALA 28 9.182 -7.827 6.270 236 HB3 ALA 28 3HB ALA 28 10.474 -9.022 6.160 237 H THR 29 H THR 29 7.990 -9.953 3.005 238 HA THR 29 HA THR 29 8.997 -12.487 3.917 239 HB THR 29 HB THR 29 6.564 -11.994 3.380 240 HG1 THR 29 HG1 THR 29 6.257 -14.116 2.751 241 HG21 THR 29 3HG2 THR 29 7.322 -12.598 0.539 242 HG22 THR 29 1HG2 THR 29 7.230 -10.938 1.125 243 HG23 THR 29 2HG2 THR 29 5.800 -11.970 1.170 244 H PHE 30 H PHE 30 9.349 -10.488 1.078 245 HA PHE 30 HA PHE 30 10.234 -12.287 -0.811 246 HB2 PHE 30 2HB PHE 30 11.438 -9.551 -0.366 247 HB3 PHE 30 3HB PHE 30 11.368 -10.449 -1.879 248 HD1 PHE 30 HD1 PHE 30 9.159 -10.814 -2.980 249 HD2 PHE 30 HD2 PHE 30 9.651 -8.193 0.337 250 HE1 PHE 30 HE1 PHE 30 7.021 -9.725 -3.528 251 HE2 PHE 30 HE2 PHE 30 7.514 -7.100 -0.205 252 HZ PHE 30 HZ PHE 30 6.196 -7.866 -2.139 Start of MODEL 3 1 H1 TYR 1 H TYR 1 3.241 -5.845 -4.752 2 HA TYR 1 HA TYR 1 0.297 -5.964 -4.767 3 HB2 TYR 1 2HB TYR 1 0.420 -4.188 -2.947 4 HB3 TYR 1 3HB TYR 1 0.872 -5.822 -2.473 5 HD1 TYR 1 HD1 TYR 1 3.179 -6.370 -1.935 6 HD2 TYR 1 HD2 TYR 1 2.081 -2.420 -3.073 7 HE1 TYR 1 HE1 TYR 1 5.337 -5.536 -1.100 8 HE2 TYR 1 HE2 TYR 1 4.236 -1.575 -2.242 9 HH TYR 1 HH TYR 1 6.611 -3.755 -0.747 10 H ALA 2 H ALA 2 3.180 -3.978 -5.207 11 HA ALA 2 HA ALA 2 1.737 -1.721 -6.232 12 HB1 ALA 2 1HB ALA 2 4.453 -2.330 -5.503 13 HB2 ALA 2 2HB ALA 2 4.395 -1.512 -7.065 14 HB3 ALA 2 3HB ALA 2 3.654 -0.764 -5.650 15 H GLU 3 H GLU 3 0.609 -2.053 -8.064 16 HA GLU 3 HA GLU 3 1.948 -3.413 -10.300 17 HB2 GLU 3 2HB GLU 3 -0.923 -3.058 -9.533 18 HB3 GLU 3 3HB GLU 3 -0.508 -3.313 -11.222 19 HG2 GLU 3 2HG GLU 3 0.684 -5.388 -10.549 20 HG3 GLU 3 3HG GLU 3 0.069 -5.152 -8.915 21 H LYS 4 H LYS 4 -0.133 -0.613 -9.601 22 HA LYS 4 HA LYS 4 0.217 0.583 -12.154 23 HB2 LYS 4 2HB LYS 4 -0.667 1.786 -9.524 24 HB3 LYS 4 3HB LYS 4 -0.767 2.599 -11.080 25 HG2 LYS 4 2HG LYS 4 -2.300 0.884 -11.888 26 HG3 LYS 4 3HG LYS 4 -2.189 0.049 -10.337 27 HD2 LYS 4 2HD LYS 4 -3.035 2.921 -10.471 28 HD3 LYS 4 3HD LYS 4 -4.195 1.626 -10.775 29 HE2 LYS 4 2HE LYS 4 -2.478 1.502 -8.339 30 HE3 LYS 4 3HE LYS 4 -3.860 2.597 -8.359 31 HZ1 LYS 4 3HZ LYS 4 -4.834 0.717 -7.562 32 HZ2 LYS 4 1HZ LYS 4 -3.807 -0.330 -8.404 33 HZ3 LYS 4 2HZ LYS 4 -5.068 0.451 -9.216 34 H VAL 5 H VAL 5 1.745 1.087 -8.997 35 HA VAL 5 HA VAL 5 3.314 3.300 -9.618 36 HB VAL 5 HB VAL 5 4.052 1.017 -7.780 37 HG11 VAL 5 1HG1 VAL 5 5.224 3.688 -8.315 38 HG12 VAL 5 2HG1 VAL 5 5.167 3.144 -6.637 39 HG13 VAL 5 3HG1 VAL 5 6.007 2.178 -7.850 40 HG21 VAL 5 3HG2 VAL 5 3.144 3.246 -6.329 41 HG22 VAL 5 1HG2 VAL 5 1.971 2.981 -7.619 42 HG23 VAL 5 2HG2 VAL 5 2.360 1.675 -6.499 43 H ALA 6 H ALA 6 3.661 -0.018 -10.547 44 HA ALA 6 HA ALA 6 6.351 0.507 -11.610 45 HB1 ALA 6 1HB ALA 6 4.918 -2.109 -11.164 46 HB2 ALA 6 2HB ALA 6 6.541 -1.937 -11.835 47 HB3 ALA 6 3HB ALA 6 6.216 -1.438 -10.175 48 H GLN 7 H GLN 7 3.789 1.430 -12.797 49 HA GLN 7 HA GLN 7 3.944 -0.001 -15.367 50 HB2 GLN 7 2HB GLN 7 1.747 -0.251 -14.427 51 HB3 GLN 7 3HB GLN 7 1.636 1.473 -14.096 52 HG2 GLN 7 2HG GLN 7 0.311 0.739 -16.050 53 HG3 GLN 7 3HG GLN 7 1.505 1.981 -16.425 54 HE21 GLN 7 1HE2 GLN 7 1.436 1.378 -18.613 55 HE22 GLN 7 2HE2 GLN 7 2.235 -0.045 -19.180 56 H GLU 8 H GLU 8 4.126 3.061 -13.748 57 HA GLU 8 HA GLU 8 3.893 4.753 -15.997 58 HB2 GLU 8 2HB GLU 8 5.341 5.174 -13.377 59 HB3 GLU 8 3HB GLU 8 5.039 6.435 -14.564 60 HG2 GLU 8 2HG GLU 8 2.807 6.544 -14.094 61 HG3 GLU 8 3HG GLU 8 2.730 4.873 -13.538 62 H LYS 9 H LYS 9 6.507 2.852 -14.726 63 HA LYS 9 HA LYS 9 8.257 3.898 -16.855 64 HB2 LYS 9 2HB LYS 9 8.825 3.273 -13.996 65 HB3 LYS 9 3HB LYS 9 10.086 2.946 -15.177 66 HG2 LYS 9 2HG LYS 9 8.728 5.615 -14.992 67 HG3 LYS 9 3HG LYS 9 10.140 5.200 -14.016 68 HD2 LYS 9 2HD LYS 9 11.148 4.501 -16.334 69 HD3 LYS 9 3HD LYS 9 9.912 5.591 -16.967 70 HE2 LYS 9 2HE LYS 9 11.770 6.969 -16.710 71 HE3 LYS 9 3HE LYS 9 10.826 7.279 -15.254 72 HZ1 LYS 9 3HZ LYS 9 12.739 5.129 -15.011 73 HZ2 LYS 9 1HZ LYS 9 12.402 6.404 -13.952 74 HZ3 LYS 9 2HZ LYS 9 13.433 6.650 -15.271 75 H GLY 10 H GLY 10 8.432 1.114 -14.640 76 HA2 GLY 10 2HA GLY 10 7.693 -0.902 -16.377 77 HA3 GLY 10 3HA GLY 10 9.397 -0.614 -16.691 78 H PHE 11 H PHE 11 10.268 -2.454 -15.883 79 HA PHE 11 HA PHE 11 9.511 -3.356 -13.219 80 HB2 PHE 11 2HB PHE 11 9.742 -5.068 -14.921 81 HB3 PHE 11 3HB PHE 11 11.380 -4.534 -15.284 82 HD1 PHE 11 HD1 PHE 11 9.253 -6.195 -12.781 83 HD2 PHE 11 HD2 PHE 11 13.225 -5.231 -13.966 84 HE1 PHE 11 HE1 PHE 11 10.131 -7.777 -11.113 85 HE2 PHE 11 HE2 PHE 11 14.110 -6.811 -12.301 86 HZ PHE 11 HZ PHE 11 12.562 -8.087 -10.872 87 H LEU 12 H LEU 12 12.455 -2.360 -14.949 88 HA LEU 12 HA LEU 12 14.273 -2.528 -12.875 89 HB2 LEU 12 2HB LEU 12 14.197 -0.381 -14.989 90 HB3 LEU 12 3HB LEU 12 15.607 -0.903 -14.071 91 HG LEU 12 HG LEU 12 14.116 -2.717 -15.956 92 HD11 LEU 12 1HD1 LEU 12 16.390 -0.826 -16.481 93 HD12 LEU 12 2HD1 LEU 12 14.870 -0.990 -17.360 94 HD13 LEU 12 3HD1 LEU 12 16.096 -2.252 -17.476 95 HD21 LEU 12 3HD2 LEU 12 16.094 -4.072 -15.842 96 HD22 LEU 12 1HD2 LEU 12 15.548 -3.736 -14.198 97 HD23 LEU 12 2HD2 LEU 12 16.924 -2.858 -14.867 98 H TYR 13 H TYR 13 11.874 -0.060 -13.529 99 HA TYR 13 HA TYR 13 12.781 1.987 -11.887 100 HB2 TYR 13 2HB TYR 13 10.925 2.382 -13.349 101 HB3 TYR 13 3HB TYR 13 9.970 1.122 -12.575 102 HD1 TYR 13 HD1 TYR 13 8.929 1.509 -10.398 103 HD2 TYR 13 HD2 TYR 13 11.147 4.571 -12.349 104 HE1 TYR 13 HE1 TYR 13 7.948 3.178 -8.880 105 HE2 TYR 13 HE2 TYR 13 10.174 6.248 -10.835 106 HH TYR 13 HH TYR 13 8.298 5.351 -8.060 107 H ARG 14 H ARG 14 10.780 -0.824 -11.076 108 HA ARG 14 HA ARG 14 10.202 -0.197 -8.430 109 HB2 ARG 14 2HB ARG 14 10.750 -2.966 -9.508 110 HB3 ARG 14 3HB ARG 14 9.777 -2.553 -8.102 111 HG2 ARG 14 2HG ARG 14 8.201 -1.367 -9.601 112 HG3 ARG 14 3HG ARG 14 9.146 -1.935 -10.979 113 HD2 ARG 14 2HD ARG 14 7.524 -3.553 -10.881 114 HD3 ARG 14 3HD ARG 14 8.773 -4.280 -9.871 115 HE ARG 14 HE ARG 14 6.920 -2.700 -8.370 116 HH11 ARG 14 1HH1 ARG 14 7.448 -5.818 -9.825 117 HH12 ARG 14 2HH1 ARG 14 6.372 -6.647 -8.749 118 HH21 ARG 14 1HH2 ARG 14 5.500 -3.780 -6.948 119 HH22 ARG 14 2HH2 ARG 14 5.264 -5.487 -7.114 120 H LEU 15 H LEU 15 13.141 -1.375 -9.872 121 HA LEU 15 HA LEU 15 14.374 -2.243 -7.451 122 HB2 LEU 15 2HB LEU 15 15.713 -1.395 -10.012 123 HB3 LEU 15 3HB LEU 15 16.398 -2.403 -8.739 124 HG LEU 15 HG LEU 15 14.153 -3.153 -10.610 125 HD11 LEU 15 1HD1 LEU 15 16.266 -3.198 -11.736 126 HD12 LEU 15 2HD1 LEU 15 15.794 -4.858 -11.373 127 HD13 LEU 15 3HD1 LEU 15 17.019 -4.056 -10.391 128 HD21 LEU 15 3HD2 LEU 15 13.863 -4.091 -8.347 129 HD22 LEU 15 1HD2 LEU 15 15.476 -4.798 -8.455 130 HD23 LEU 15 2HD2 LEU 15 14.205 -5.329 -9.557 131 H THR 16 H THR 16 13.899 -0.395 -6.098 132 HA THR 16 HA THR 16 16.027 1.596 -6.253 133 HB THR 16 HB THR 16 14.369 3.412 -5.646 134 HG1 THR 16 HG1 THR 16 12.506 1.522 -6.695 135 HG21 THR 16 3HG2 THR 16 15.315 3.455 -7.826 136 HG22 THR 16 1HG2 THR 16 13.579 3.682 -8.032 137 HG23 THR 16 2HG2 THR 16 14.308 2.111 -8.364 138 H SER 17 H SER 17 16.243 2.838 -4.225 139 HA SER 17 HA SER 17 16.314 1.168 -1.988 140 HB2 SER 17 2HB SER 17 17.605 3.364 -2.463 141 HB3 SER 17 3HB SER 17 16.208 4.165 -1.744 142 HG SER 17 HG SER 17 18.237 2.856 -0.535 143 H ARG 18 H ARG 18 14.088 3.852 -2.715 144 HA ARG 18 HA ARG 18 12.508 3.738 -0.455 145 HB2 ARG 18 2HB ARG 18 11.998 4.558 -3.284 146 HB3 ARG 18 3HB ARG 18 10.643 4.468 -2.168 147 HG2 ARG 18 2HG ARG 18 11.346 6.696 -2.097 148 HG3 ARG 18 3HG ARG 18 12.007 5.964 -0.633 149 HD2 ARG 18 2HD ARG 18 14.178 5.850 -1.552 150 HD3 ARG 18 3HD ARG 18 13.587 6.178 -3.180 151 HE ARG 18 HE ARG 18 12.966 8.348 -1.496 152 HH11 ARG 18 1HH1 ARG 18 15.684 6.812 -3.038 153 HH12 ARG 18 2HH1 ARG 18 16.616 8.269 -3.139 154 HH21 ARG 18 1HH2 ARG 18 14.184 10.273 -1.624 155 HH22 ARG 18 2HH2 ARG 18 15.763 10.236 -2.334 156 H TYR 19 H TYR 19 12.084 1.948 -3.498 157 HA TYR 19 HA TYR 19 9.757 0.570 -2.769 158 HB2 TYR 19 2HB TYR 19 10.406 0.603 -5.069 159 HB3 TYR 19 3HB TYR 19 11.967 -0.125 -4.706 160 HD1 TYR 19 HD1 TYR 19 8.348 -0.765 -4.986 161 HD2 TYR 19 HD2 TYR 19 12.200 -2.494 -4.461 162 HE1 TYR 19 HE1 TYR 19 7.399 -2.994 -5.410 163 HE2 TYR 19 HE2 TYR 19 11.262 -4.728 -4.885 164 HH TYR 19 HH TYR 19 8.845 -5.463 -6.339 165 H ARG 20 H ARG 20 13.159 -0.152 -2.228 166 HA ARG 20 HA ARG 20 12.766 -2.786 -1.243 167 HB2 ARG 20 2HB ARG 20 15.022 -0.808 -1.089 168 HB3 ARG 20 3HB ARG 20 15.090 -2.320 -0.194 169 HG2 ARG 20 2HG ARG 20 15.327 -3.587 -2.072 170 HG3 ARG 20 3HG ARG 20 14.439 -2.447 -3.086 171 HD2 ARG 20 2HD ARG 20 16.658 -2.267 -3.807 172 HD3 ARG 20 3HD ARG 20 16.422 -0.875 -2.751 173 HE ARG 20 HE ARG 20 17.426 -2.935 -1.182 174 HH11 ARG 20 1HH1 ARG 20 18.446 -0.997 -3.888 175 HH12 ARG 20 2HH1 ARG 20 20.129 -1.087 -3.485 176 HH21 ARG 20 1HH2 ARG 20 19.639 -3.061 -0.642 177 HH22 ARG 20 2HH2 ARG 20 20.806 -2.262 -1.639 178 H HIS 21 H HIS 21 12.685 0.391 0.205 179 HA HIS 21 HA HIS 21 12.783 -0.525 2.915 180 HB2 HIS 21 2HB HIS 21 12.265 2.080 1.555 181 HB3 HIS 21 3HB HIS 21 11.750 1.898 3.230 182 HD1 HIS 21 HD1 HIS 21 14.015 0.492 4.544 183 HD2 HIS 21 HD2 HIS 21 14.615 3.401 1.639 184 HE1 HIS 21 HE1 HIS 21 16.349 1.348 4.921 185 H TYR 22 H TYR 22 10.316 -0.176 0.530 186 HA TYR 22 HA TYR 22 8.136 -0.169 2.428 187 HB2 TYR 22 2HB TYR 22 8.225 -0.374 -0.584 188 HB3 TYR 22 3HB TYR 22 6.730 -0.411 0.343 189 HD1 TYR 22 HD2 TYR 22 7.019 1.632 2.330 190 HD2 TYR 22 HD1 TYR 22 8.380 1.640 -1.701 191 HE1 TYR 22 HE2 TYR 22 6.944 4.090 2.316 192 HE2 TYR 22 HE1 TYR 22 8.311 4.098 -1.726 193 HH TYR 22 HH TYR 22 7.096 5.930 1.050 194 H ALA 23 H ALA 23 9.486 -2.443 0.054 195 HA ALA 23 HA ALA 23 7.712 -4.566 0.712 196 HB1 ALA 23 1HB ALA 23 9.982 -4.152 -1.068 197 HB2 ALA 23 2HB ALA 23 9.914 -5.781 -0.392 198 HB3 ALA 23 3HB ALA 23 8.535 -5.138 -1.284 199 H ALA 24 H ALA 24 10.567 -3.336 2.162 200 HA ALA 24 HA ALA 24 11.137 -5.807 3.598 201 HB1 ALA 24 1HB ALA 24 13.042 -4.575 4.534 202 HB2 ALA 24 2HB ALA 24 13.025 -4.523 2.771 203 HB3 ALA 24 3HB ALA 24 12.500 -3.119 3.698 204 H PHE 25 H PHE 25 8.739 -3.835 3.938 205 HA PHE 25 HA PHE 25 8.768 -3.976 6.860 206 HB2 PHE 25 2HB PHE 25 8.397 -1.500 5.211 207 HB3 PHE 25 3HB PHE 25 7.561 -1.654 6.752 208 HD1 PHE 25 HD2 PHE 25 10.958 -1.935 5.257 209 HD2 PHE 25 HD1 PHE 25 8.624 -0.998 8.690 210 HE1 PHE 25 HE2 PHE 25 12.988 -1.183 6.426 211 HE2 PHE 25 HE1 PHE 25 10.650 -0.243 9.865 212 HZ PHE 25 HZ PHE 25 12.836 -0.336 8.734 213 H GLU 26 H GLU 26 6.792 -3.073 4.037 214 HA GLU 26 HA GLU 26 4.281 -3.394 5.132 215 HB2 GLU 26 2HB GLU 26 5.415 -3.509 2.409 216 HB3 GLU 26 3HB GLU 26 3.862 -4.307 2.609 217 HG2 GLU 26 2HG GLU 26 4.194 -1.561 3.692 218 HG3 GLU 26 3HG GLU 26 4.030 -1.772 1.950 219 H ARG 27 H ARG 27 6.496 -5.843 3.927 220 HA ARG 27 HA ARG 27 4.914 -7.892 5.262 221 HB2 ARG 27 2HB ARG 27 5.368 -7.739 2.317 222 HB3 ARG 27 3HB ARG 27 5.402 -9.322 3.084 223 HG2 ARG 27 2HG ARG 27 3.116 -7.448 3.542 224 HG3 ARG 27 3HG ARG 27 3.188 -8.465 2.102 225 HD2 ARG 27 2HD ARG 27 3.617 -10.388 3.780 226 HD3 ARG 27 3HD ARG 27 2.969 -9.269 4.978 227 HE ARG 27 HE ARG 27 1.250 -9.477 2.726 228 HH11 ARG 27 1HH1 ARG 27 2.239 -11.135 5.623 229 HH12 ARG 27 2HH1 ARG 27 0.742 -11.988 5.802 230 HH21 ARG 27 1HH2 ARG 27 -0.726 -10.594 2.951 231 HH22 ARG 27 2HH2 ARG 27 -0.943 -11.681 4.281 232 H ALA 28 H ALA 28 7.816 -7.138 3.372 233 HA ALA 28 HA ALA 28 9.990 -7.773 3.596 234 HB1 ALA 28 1HB ALA 28 9.635 -6.993 5.917 235 HB2 ALA 28 2HB ALA 28 9.193 -8.640 6.372 236 HB3 ALA 28 3HB ALA 28 10.823 -8.292 5.796 237 H THR 29 H THR 29 7.706 -9.740 2.947 238 HA THR 29 HA THR 29 8.738 -12.304 3.731 239 HB THR 29 HB THR 29 6.300 -11.806 3.233 240 HG1 THR 29 HG1 THR 29 6.606 -13.928 3.350 241 HG21 THR 29 3HG2 THR 29 6.907 -10.628 1.041 242 HG22 THR 29 1HG2 THR 29 5.523 -11.720 1.015 243 HG23 THR 29 2HG2 THR 29 7.074 -12.246 0.361 244 H PHE 30 H PHE 30 9.058 -10.178 0.981 245 HA PHE 30 HA PHE 30 9.943 -11.885 -0.991 246 HB2 PHE 30 2HB PHE 30 11.130 -9.162 -0.432 247 HB3 PHE 30 3HB PHE 30 11.056 -9.992 -1.983 248 HD1 PHE 30 HD1 PHE 30 8.843 -10.326 -3.085 249 HD2 PHE 30 HD2 PHE 30 9.337 -7.850 0.341 250 HE1 PHE 30 HE1 PHE 30 6.693 -9.231 -3.571 251 HE2 PHE 30 HE2 PHE 30 7.189 -6.751 -0.139 252 HZ PHE 30 HZ PHE 30 5.863 -7.442 -2.096 Start of MODEL 4 1 H1 TYR 1 H TYR 1 0.860 -3.600 -2.717 2 HA TYR 1 HA TYR 1 1.751 -1.268 -1.150 3 HB2 TYR 1 2HB TYR 1 4.045 -2.140 -1.374 4 HB3 TYR 1 3HB TYR 1 2.994 -3.278 -0.538 5 HD1 TYR 1 HD1 TYR 1 2.342 -5.376 -1.593 6 HD2 TYR 1 HD2 TYR 1 4.929 -2.640 -3.574 7 HE1 TYR 1 HE1 TYR 1 2.969 -7.136 -3.192 8 HE2 TYR 1 HE2 TYR 1 5.563 -4.393 -5.179 9 HH TYR 1 HH TYR 1 3.928 -7.016 -5.779 10 H ALA 2 H ALA 2 1.668 -2.826 -4.288 11 HA ALA 2 HA ALA 2 2.980 -0.519 -5.527 12 HB1 ALA 2 1HB ALA 2 3.156 -1.867 -7.517 13 HB2 ALA 2 2HB ALA 2 3.740 -2.794 -6.134 14 HB3 ALA 2 3HB ALA 2 2.141 -3.119 -6.802 15 H GLU 3 H GLU 3 1.656 1.115 -5.990 16 HA GLU 3 HA GLU 3 -1.072 0.518 -6.902 17 HB2 GLU 3 2HB GLU 3 -0.716 2.034 -4.913 18 HB3 GLU 3 3HB GLU 3 0.018 3.190 -6.016 19 HG2 GLU 3 2HG GLU 3 -2.214 2.929 -7.331 20 HG3 GLU 3 3HG GLU 3 -2.826 2.329 -5.791 21 H LYS 4 H LYS 4 0.022 -0.086 -8.985 22 HA LYS 4 HA LYS 4 0.541 0.332 -11.162 23 HB2 LYS 4 2HB LYS 4 -0.957 2.910 -10.658 24 HB3 LYS 4 3HB LYS 4 -0.640 2.182 -12.228 25 HG2 LYS 4 2HG LYS 4 -1.964 0.190 -11.450 26 HG3 LYS 4 3HG LYS 4 -2.437 1.154 -10.049 27 HD2 LYS 4 2HD LYS 4 -3.466 2.806 -11.482 28 HD3 LYS 4 3HD LYS 4 -2.891 1.961 -12.922 29 HE2 LYS 4 2HE LYS 4 -5.151 1.342 -12.688 30 HE3 LYS 4 3HE LYS 4 -4.223 -0.037 -12.100 31 HZ1 LYS 4 3HZ LYS 4 -5.726 0.173 -10.427 32 HZ2 LYS 4 1HZ LYS 4 -5.899 1.845 -10.616 33 HZ3 LYS 4 2HZ LYS 4 -4.538 1.219 -9.830 34 H VAL 5 H VAL 5 2.408 1.237 -9.087 35 HA VAL 5 HA VAL 5 3.716 3.454 -10.524 36 HB VAL 5 HB VAL 5 4.898 3.988 -8.470 37 HG11 VAL 5 1HG1 VAL 5 2.341 3.932 -7.183 38 HG12 VAL 5 2HG1 VAL 5 3.193 5.296 -7.909 39 HG13 VAL 5 3HG1 VAL 5 2.135 4.288 -8.897 40 HG21 VAL 5 3HG2 VAL 5 4.245 2.838 -6.348 41 HG22 VAL 5 1HG2 VAL 5 3.401 1.637 -7.325 42 HG23 VAL 5 2HG2 VAL 5 5.148 1.826 -7.475 43 H ALA 6 H ALA 6 4.057 0.215 -9.298 44 HA ALA 6 HA ALA 6 6.884 0.022 -9.622 45 HB1 ALA 6 1HB ALA 6 5.940 -2.557 -9.781 46 HB2 ALA 6 2HB ALA 6 6.383 -1.706 -8.301 47 HB3 ALA 6 3HB ALA 6 4.702 -1.734 -8.832 48 H GLN 7 H GLN 7 4.191 -1.379 -11.504 49 HA GLN 7 HA GLN 7 5.720 -2.384 -13.600 50 HB2 GLN 7 2HB GLN 7 3.440 -3.064 -13.381 51 HB3 GLN 7 3HB GLN 7 2.867 -1.408 -13.526 52 HG2 GLN 7 2HG GLN 7 3.150 -1.358 -15.796 53 HG3 GLN 7 3HG GLN 7 4.407 -2.594 -15.776 54 HE21 GLN 7 1HE2 GLN 7 3.659 -4.793 -15.124 55 HE22 GLN 7 2HE2 GLN 7 2.121 -5.316 -15.714 56 H GLU 8 H GLU 8 4.697 0.861 -12.918 57 HA GLU 8 HA GLU 8 5.064 1.919 -15.533 58 HB2 GLU 8 2HB GLU 8 4.835 3.120 -12.793 59 HB3 GLU 8 3HB GLU 8 5.276 4.124 -14.167 60 HG2 GLU 8 2HG GLU 8 2.856 2.388 -14.318 61 HG3 GLU 8 3HG GLU 8 2.792 3.917 -13.444 62 H LYS 9 H LYS 9 6.738 3.464 -16.151 63 HA LYS 9 HA LYS 9 8.913 3.990 -16.563 64 HB2 LYS 9 2HB LYS 9 9.172 3.458 -13.597 65 HB3 LYS 9 3HB LYS 9 10.401 4.233 -14.588 66 HG2 LYS 9 2HG LYS 9 7.628 5.346 -14.437 67 HG3 LYS 9 3HG LYS 9 8.825 5.704 -13.190 68 HD2 LYS 9 2HD LYS 9 10.360 6.422 -15.086 69 HD3 LYS 9 3HD LYS 9 8.933 6.361 -16.124 70 HE2 LYS 9 2HE LYS 9 9.235 8.618 -15.365 71 HE3 LYS 9 3HE LYS 9 7.810 7.945 -14.574 72 HZ1 LYS 9 3HZ LYS 9 9.576 9.250 -13.209 73 HZ2 LYS 9 1HZ LYS 9 10.407 7.776 -13.215 74 HZ3 LYS 9 2HZ LYS 9 8.853 7.867 -12.554 75 H GLY 10 H GLY 10 8.014 1.193 -16.781 76 HA2 GLY 10 2HA GLY 10 9.078 -0.709 -17.575 77 HA3 GLY 10 3HA GLY 10 10.621 0.016 -17.149 78 H PHE 11 H PHE 11 11.324 -1.990 -16.301 79 HA PHE 11 HA PHE 11 9.976 -2.857 -13.838 80 HB2 PHE 11 2HB PHE 11 10.232 -4.651 -15.421 81 HB3 PHE 11 3HB PHE 11 11.937 -4.277 -15.646 82 HD1 PHE 11 HD2 PHE 11 13.575 -4.861 -13.940 83 HD2 PHE 11 HD1 PHE 11 9.465 -5.882 -13.512 84 HE1 PHE 11 HE2 PHE 11 14.159 -6.453 -12.158 85 HE2 PHE 11 HE1 PHE 11 10.042 -7.475 -11.729 86 HZ PHE 11 HZ PHE 11 12.392 -7.764 -11.050 87 H LEU 12 H LEU 12 13.057 -1.797 -15.153 88 HA LEU 12 HA LEU 12 14.690 -2.264 -12.941 89 HB2 LEU 12 2HB LEU 12 14.777 -0.182 -15.104 90 HB3 LEU 12 3HB LEU 12 16.017 -0.292 -13.857 91 HG LEU 12 HG LEU 12 16.207 -2.769 -14.691 92 HD11 LEU 12 1HD1 LEU 12 14.619 -1.423 -16.802 93 HD12 LEU 12 2HD1 LEU 12 14.612 -3.105 -16.274 94 HD13 LEU 12 3HD1 LEU 12 15.908 -2.513 -17.314 95 HD21 LEU 12 3HD2 LEU 12 17.305 -0.721 -16.570 96 HD22 LEU 12 1HD2 LEU 12 18.081 -2.150 -15.887 97 HD23 LEU 12 2HD2 LEU 12 17.811 -0.728 -14.880 98 H TYR 13 H TYR 13 12.307 0.193 -13.525 99 HA TYR 13 HA TYR 13 13.086 2.184 -11.764 100 HB2 TYR 13 2HB TYR 13 11.219 2.550 -13.223 101 HB3 TYR 13 3HB TYR 13 10.325 1.212 -12.511 102 HD1 TYR 13 HD1 TYR 13 9.264 1.449 -10.321 103 HD2 TYR 13 HD2 TYR 13 11.327 4.701 -12.129 104 HE1 TYR 13 HE1 TYR 13 8.199 2.999 -8.735 105 HE2 TYR 13 HE2 TYR 13 10.268 6.260 -10.548 106 HH TYR 13 HH TYR 13 8.300 6.386 -9.128 107 H ARG 14 H ARG 14 11.237 -0.769 -11.114 108 HA ARG 14 HA ARG 14 10.610 -0.307 -8.444 109 HB2 ARG 14 2HB ARG 14 11.119 -2.844 -9.984 110 HB3 ARG 14 3HB ARG 14 10.667 -2.868 -8.284 111 HG2 ARG 14 2HG ARG 14 8.588 -1.731 -8.791 112 HG3 ARG 14 3HG ARG 14 9.047 -1.616 -10.491 113 HD2 ARG 14 2HD ARG 14 7.744 -3.485 -10.582 114 HD3 ARG 14 3HD ARG 14 9.301 -4.234 -10.226 115 HE ARG 14 HE ARG 14 7.972 -3.616 -7.820 116 HH11 ARG 14 1HH1 ARG 14 7.815 -5.815 -10.514 117 HH12 ARG 14 2HH1 ARG 14 7.063 -7.083 -9.604 118 HH21 ARG 14 1HH2 ARG 14 6.982 -5.278 -6.610 119 HH22 ARG 14 2HH2 ARG 14 6.589 -6.777 -7.384 120 H LEU 15 H LEU 15 13.619 -1.221 -9.921 121 HA LEU 15 HA LEU 15 14.877 -2.144 -7.523 122 HB2 LEU 15 2HB LEU 15 16.196 -1.150 -10.041 123 HB3 LEU 15 3HB LEU 15 16.905 -2.186 -8.804 124 HG LEU 15 HG LEU 15 14.706 -2.934 -10.730 125 HD11 LEU 15 1HD1 LEU 15 16.932 -2.809 -11.737 126 HD12 LEU 15 2HD1 LEU 15 16.353 -4.471 -11.644 127 HD13 LEU 15 3HD1 LEU 15 17.556 -3.891 -10.492 128 HD21 LEU 15 3HD2 LEU 15 16.055 -4.624 -8.629 129 HD22 LEU 15 1HD2 LEU 15 14.809 -5.144 -9.763 130 HD23 LEU 15 2HD2 LEU 15 14.422 -3.968 -8.507 131 H THR 16 H THR 16 14.236 -0.308 -6.167 132 HA THR 16 HA THR 16 16.280 1.790 -6.267 133 HB THR 16 HB THR 16 14.512 3.451 -5.513 134 HG1 THR 16 HG1 THR 16 12.356 2.817 -6.349 135 HG21 THR 16 3HG2 THR 16 15.430 3.622 -7.723 136 HG22 THR 16 1HG2 THR 16 13.684 3.838 -7.842 137 HG23 THR 16 2HG2 THR 16 14.416 2.300 -8.301 138 H SER 17 H SER 17 15.924 3.204 -4.130 139 HA SER 17 HA SER 17 16.399 1.387 -1.970 140 HB2 SER 17 2HB SER 17 17.417 3.764 -2.425 141 HB3 SER 17 3HB SER 17 15.993 4.329 -1.551 142 HG SER 17 HG SER 17 17.715 3.985 -0.123 143 H ARG 18 H ARG 18 13.912 3.853 -2.612 144 HA ARG 18 HA ARG 18 12.376 3.501 -0.333 145 HB2 ARG 18 2HB ARG 18 11.799 4.443 -3.106 146 HB3 ARG 18 3HB ARG 18 10.442 4.134 -2.030 147 HG2 ARG 18 2HG ARG 18 10.847 6.380 -1.701 148 HG3 ARG 18 3HG ARG 18 11.729 5.637 -0.365 149 HD2 ARG 18 2HD ARG 18 13.150 7.290 -1.319 150 HD3 ARG 18 3HD ARG 18 13.782 5.716 -1.798 151 HE ARG 18 HE ARG 18 13.389 6.278 -3.974 152 HH11 ARG 18 1HH1 ARG 18 11.490 8.353 -1.923 153 HH12 ARG 18 2HH1 ARG 18 10.934 9.350 -3.226 154 HH21 ARG 18 1HH2 ARG 18 12.663 7.583 -5.698 155 HH22 ARG 18 2HH2 ARG 18 11.601 8.911 -5.373 156 H TYR 19 H TYR 19 12.069 1.851 -3.470 157 HA TYR 19 HA TYR 19 9.870 0.265 -2.907 158 HB2 TYR 19 2HB TYR 19 10.703 0.348 -5.144 159 HB3 TYR 19 3HB TYR 19 12.277 -0.264 -4.651 160 HD1 TYR 19 HD1 TYR 19 8.720 -1.186 -5.096 161 HD2 TYR 19 HD2 TYR 19 12.693 -2.593 -4.512 162 HE1 TYR 19 HE1 TYR 19 7.976 -3.478 -5.590 163 HE2 TYR 19 HE2 TYR 19 11.960 -4.888 -5.006 164 HH TYR 19 HH TYR 19 9.754 -6.182 -4.876 165 H ARG 20 H ARG 20 13.288 -0.736 -2.666 166 HA ARG 20 HA ARG 20 12.865 -3.199 -1.464 167 HB2 ARG 20 2HB ARG 20 15.183 -1.282 -1.188 168 HB3 ARG 20 3HB ARG 20 15.202 -2.930 -0.573 169 HG2 ARG 20 2HG ARG 20 14.857 -3.771 -2.852 170 HG3 ARG 20 3HG ARG 20 14.886 -2.112 -3.453 171 HD2 ARG 20 2HD ARG 20 17.163 -1.836 -2.706 172 HD3 ARG 20 3HD ARG 20 17.142 -3.428 -1.948 173 HE ARG 20 HE ARG 20 17.568 -2.839 -4.720 174 HH11 ARG 20 1HH1 ARG 20 16.416 -5.233 -2.469 175 HH12 ARG 20 2HH1 ARG 20 16.723 -6.567 -3.530 176 HH21 ARG 20 1HH2 ARG 20 17.976 -4.588 -6.126 177 HH22 ARG 20 2HH2 ARG 20 17.611 -6.200 -5.610 178 H HIS 21 H HIS 21 12.927 0.006 -0.057 179 HA HIS 21 HA HIS 21 13.027 -0.880 2.661 180 HB2 HIS 21 2HB HIS 21 12.599 1.724 1.272 181 HB3 HIS 21 3HB HIS 21 12.082 1.588 2.950 182 HD1 HIS 21 HD1 HIS 21 14.371 -0.047 4.126 183 HD2 HIS 21 HD2 HIS 21 14.921 3.113 1.485 184 HE1 HIS 21 HE1 HIS 21 16.719 0.761 4.523 185 H TYR 22 H TYR 22 10.525 -0.396 0.317 186 HA TYR 22 HA TYR 22 8.390 -0.335 2.264 187 HB2 TYR 22 2HB TYR 22 8.417 -0.462 -0.752 188 HB3 TYR 22 3HB TYR 22 6.934 -0.487 0.196 189 HD1 TYR 22 HD2 TYR 22 7.556 1.482 2.304 190 HD2 TYR 22 HD1 TYR 22 8.365 1.582 -1.872 191 HE1 TYR 22 HE2 TYR 22 7.553 3.941 2.368 192 HE2 TYR 22 HE1 TYR 22 8.365 4.041 -1.819 193 HH TYR 22 HH TYR 22 7.547 5.854 -0.487 194 H ALA 23 H ALA 23 9.624 -2.621 -0.156 195 HA ALA 23 HA ALA 23 7.759 -4.676 0.464 196 HB1 ALA 23 1HB ALA 23 8.559 -5.257 -1.537 197 HB2 ALA 23 2HB ALA 23 10.042 -4.329 -1.309 198 HB3 ALA 23 3HB ALA 23 9.915 -5.962 -0.656 199 H ALA 24 H ALA 24 10.659 -3.594 1.940 200 HA ALA 24 HA ALA 24 11.119 -6.111 3.335 201 HB1 ALA 24 1HB ALA 24 13.049 -4.856 2.509 202 HB2 ALA 24 2HB ALA 24 12.598 -3.490 3.531 203 HB3 ALA 24 3HB ALA 24 13.087 -5.017 4.265 204 H PHE 25 H PHE 25 8.808 -4.044 3.704 205 HA PHE 25 HA PHE 25 8.824 -4.233 6.623 206 HB2 PHE 25 2HB PHE 25 8.564 -1.717 5.015 207 HB3 PHE 25 3HB PHE 25 7.722 -1.860 6.555 208 HD1 PHE 25 HD2 PHE 25 11.103 -2.259 5.050 209 HD2 PHE 25 HD1 PHE 25 8.814 -1.288 8.504 210 HE1 PHE 25 HE2 PHE 25 13.164 -1.617 6.231 211 HE2 PHE 25 HE1 PHE 25 10.871 -0.643 9.691 212 HZ PHE 25 HZ PHE 25 13.050 -0.808 8.554 213 H GLU 26 H GLU 26 6.896 -3.194 3.813 214 HA GLU 26 HA GLU 26 4.371 -3.423 4.898 215 HB2 GLU 26 2HB GLU 26 5.505 -3.544 2.175 216 HB3 GLU 26 3HB GLU 26 3.917 -4.274 2.360 217 HG2 GLU 26 2HG GLU 26 4.343 -1.575 3.512 218 HG3 GLU 26 3HG GLU 26 4.232 -1.722 1.759 219 H ARG 27 H ARG 27 6.481 -5.947 3.664 220 HA ARG 27 HA ARG 27 4.806 -7.946 4.959 221 HB2 ARG 27 2HB ARG 27 5.274 -7.767 2.017 222 HB3 ARG 27 3HB ARG 27 5.231 -9.361 2.759 223 HG2 ARG 27 2HG ARG 27 3.036 -7.373 3.210 224 HG3 ARG 27 3HG ARG 27 3.062 -8.419 1.789 225 HD2 ARG 27 2HD ARG 27 3.038 -10.386 3.169 226 HD3 ARG 27 3HD ARG 27 3.215 -9.414 4.629 227 HE ARG 27 HE ARG 27 0.895 -8.625 3.237 228 HH11 ARG 27 1HH1 ARG 27 2.150 -11.251 5.147 229 HH12 ARG 27 2HH1 ARG 27 0.595 -11.739 5.735 230 HH21 ARG 27 1HH2 ARG 27 -1.158 -9.258 4.003 231 HH22 ARG 27 2HH2 ARG 27 -1.286 -10.606 5.083 232 H ALA 28 H ALA 28 7.742 -7.290 3.084 233 HA ALA 28 HA ALA 28 9.885 -8.024 3.299 234 HB1 ALA 28 1HB ALA 28 9.561 -7.268 5.633 235 HB2 ALA 28 2HB ALA 28 9.048 -8.901 6.059 236 HB3 ALA 28 3HB ALA 28 10.692 -8.614 5.490 237 H THR 29 H THR 29 7.517 -9.877 2.615 238 HA THR 29 HA THR 29 8.433 -12.497 3.358 239 HB THR 29 HB THR 29 6.020 -11.883 2.865 240 HG1 THR 29 HG1 THR 29 6.096 -14.005 2.883 241 HG21 THR 29 3HG2 THR 29 5.254 -11.731 0.646 242 HG22 THR 29 1HG2 THR 29 6.785 -12.303 -0.014 243 HG23 THR 29 2HG2 THR 29 6.677 -10.693 0.697 244 H PHE 30 H PHE 30 8.852 -10.343 0.644 245 HA PHE 30 HA PHE 30 9.667 -12.055 -1.354 246 HB2 PHE 30 2HB PHE 30 10.971 -9.396 -0.750 247 HB3 PHE 30 3HB PHE 30 10.863 -10.197 -2.314 248 HD1 PHE 30 HD2 PHE 30 8.637 -10.417 -3.423 249 HD2 PHE 30 HD1 PHE 30 9.237 -8.018 0.041 250 HE1 PHE 30 HE2 PHE 30 6.539 -9.220 -3.893 251 HE2 PHE 30 HE1 PHE 30 7.140 -6.818 -0.422 252 HZ PHE 30 HZ PHE 30 5.788 -7.418 -2.392 Start of MODEL 5 1 H1 TYR 1 H TYR 1 -0.975 -5.176 -2.867 2 HA TYR 1 HA TYR 1 0.240 -2.600 -2.246 3 HB2 TYR 1 2HB TYR 1 1.407 -4.959 -2.714 4 HB3 TYR 1 3HB TYR 1 1.354 -4.363 -4.369 5 HD1 TYR 1 HD1 TYR 1 2.634 -2.381 -5.019 6 HD2 TYR 1 HD2 TYR 1 2.842 -3.935 -1.064 7 HE1 TYR 1 HE1 TYR 1 4.655 -1.042 -4.606 8 HE2 TYR 1 HE2 TYR 1 4.863 -2.600 -0.639 9 HH TYR 1 HH TYR 1 6.338 -1.174 -1.478 10 H ALA 2 H ALA 2 0.843 -1.114 -3.950 11 HA ALA 2 HA ALA 2 -1.316 -0.551 -5.703 12 HB1 ALA 2 1HB ALA 2 1.220 0.709 -4.958 13 HB2 ALA 2 2HB ALA 2 0.705 1.032 -6.614 14 HB3 ALA 2 3HB ALA 2 -0.360 1.429 -5.266 15 H GLU 3 H GLU 3 -1.632 -1.039 -7.794 16 HA GLU 3 HA GLU 3 0.547 -2.421 -9.219 17 HB2 GLU 3 2HB GLU 3 -1.638 -3.694 -8.487 18 HB3 GLU 3 3HB GLU 3 -2.326 -2.902 -9.898 19 HG2 GLU 3 2HG GLU 3 -1.013 -4.077 -11.371 20 HG3 GLU 3 3HG GLU 3 0.238 -4.394 -10.170 21 H LYS 4 H LYS 4 -0.197 0.450 -9.163 22 HA LYS 4 HA LYS 4 -1.104 0.858 -11.922 23 HB2 LYS 4 2HB LYS 4 -2.004 2.110 -9.780 24 HB3 LYS 4 3HB LYS 4 -0.583 3.115 -10.033 25 HG2 LYS 4 2HG LYS 4 -2.203 4.265 -11.190 26 HG3 LYS 4 3HG LYS 4 -1.459 3.299 -12.467 27 HD2 LYS 4 2HD LYS 4 -3.732 2.994 -12.840 28 HD3 LYS 4 3HD LYS 4 -3.294 1.566 -11.899 29 HE2 LYS 4 2HE LYS 4 -3.962 3.051 -9.863 30 HE3 LYS 4 3HE LYS 4 -4.841 3.987 -11.071 31 HZ1 LYS 4 3HZ LYS 4 -5.991 1.936 -11.721 32 HZ2 LYS 4 1HZ LYS 4 -6.278 2.340 -10.103 33 HZ3 LYS 4 2HZ LYS 4 -5.196 1.097 -10.486 34 H VAL 5 H VAL 5 1.559 1.616 -9.724 35 HA VAL 5 HA VAL 5 3.104 2.717 -11.957 36 HB VAL 5 HB VAL 5 4.679 3.523 -10.305 37 HG11 VAL 5 1HG1 VAL 5 2.841 4.986 -10.719 38 HG12 VAL 5 2HG1 VAL 5 1.798 4.080 -9.622 39 HG13 VAL 5 3HG1 VAL 5 3.156 5.008 -8.984 40 HG21 VAL 5 3HG2 VAL 5 3.198 1.670 -8.541 41 HG22 VAL 5 1HG2 VAL 5 4.908 2.103 -8.556 42 HG23 VAL 5 2HG2 VAL 5 3.730 3.189 -7.819 43 H ALA 6 H ALA 6 2.940 -0.009 -9.803 44 HA ALA 6 HA ALA 6 5.573 -0.992 -10.332 45 HB1 ALA 6 1HB ALA 6 4.813 -1.825 -8.345 46 HB2 ALA 6 2HB ALA 6 3.160 -2.021 -8.931 47 HB3 ALA 6 3HB ALA 6 4.408 -3.170 -9.413 48 H GLN 7 H GLN 7 6.275 -2.318 -11.904 49 HA GLN 7 HA GLN 7 6.318 -3.558 -13.810 50 HB2 GLN 7 2HB GLN 7 4.751 -4.985 -12.395 51 HB3 GLN 7 3HB GLN 7 3.429 -4.242 -13.286 52 HG2 GLN 7 2HG GLN 7 4.120 -5.204 -15.318 53 HG3 GLN 7 3HG GLN 7 5.688 -5.663 -14.656 54 HE21 GLN 7 1HE2 GLN 7 2.568 -6.673 -15.330 55 HE22 GLN 7 2HE2 GLN 7 2.579 -8.159 -14.449 56 H GLU 8 H GLU 8 5.045 -0.749 -13.606 57 HA GLU 8 HA GLU 8 3.983 -0.745 -16.351 58 HB2 GLU 8 2HB GLU 8 2.969 0.827 -13.980 59 HB3 GLU 8 3HB GLU 8 2.518 1.173 -15.643 60 HG2 GLU 8 2HG GLU 8 2.138 -1.596 -14.659 61 HG3 GLU 8 3HG GLU 8 1.042 -0.349 -14.066 62 H LYS 9 H LYS 9 5.155 1.465 -13.807 63 HA LYS 9 HA LYS 9 6.028 3.490 -15.529 64 HB2 LYS 9 2HB LYS 9 5.712 3.695 -13.053 65 HB3 LYS 9 3HB LYS 9 7.205 2.791 -12.834 66 HG2 LYS 9 2HG LYS 9 8.024 4.898 -12.668 67 HG3 LYS 9 3HG LYS 9 8.157 4.685 -14.415 68 HD2 LYS 9 2HD LYS 9 6.078 5.865 -14.759 69 HD3 LYS 9 3HD LYS 9 5.817 5.978 -13.017 70 HE2 LYS 9 2HE LYS 9 7.712 7.423 -12.766 71 HE3 LYS 9 3HE LYS 9 8.182 7.180 -14.448 72 HZ1 LYS 9 3HZ LYS 9 5.503 8.150 -14.190 73 HZ2 LYS 9 1HZ LYS 9 6.783 8.753 -15.118 74 HZ3 LYS 9 2HZ LYS 9 6.629 9.204 -13.495 75 H GLY 10 H GLY 10 7.479 0.467 -14.635 76 HA2 GLY 10 2HA GLY 10 9.180 0.037 -16.614 77 HA3 GLY 10 3HA GLY 10 10.080 1.248 -15.713 78 H PHE 11 H PHE 11 11.316 -1.076 -16.042 79 HA PHE 11 HA PHE 11 10.771 -2.851 -13.817 80 HB2 PHE 11 2HB PHE 11 11.460 -3.854 -15.914 81 HB3 PHE 11 3HB PHE 11 12.928 -2.884 -15.936 82 HD1 PHE 11 HD2 PHE 11 11.228 -5.106 -13.460 83 HD2 PHE 11 HD1 PHE 11 14.821 -4.087 -15.503 84 HE1 PHE 11 HE2 PHE 11 12.417 -6.888 -12.250 85 HE2 PHE 11 HE1 PHE 11 16.015 -5.868 -14.296 86 HZ PHE 11 HZ PHE 11 14.814 -7.270 -12.666 87 H LEU 12 H LEU 12 13.575 -0.934 -14.907 88 HA LEU 12 HA LEU 12 15.129 -1.277 -12.615 89 HB2 LEU 12 2HB LEU 12 15.075 1.150 -14.400 90 HB3 LEU 12 3HB LEU 12 16.401 0.632 -13.361 91 HG LEU 12 HG LEU 12 15.419 -1.034 -15.665 92 HD11 LEU 12 1HD1 LEU 12 17.566 1.082 -15.673 93 HD12 LEU 12 2HD1 LEU 12 16.059 1.102 -16.590 94 HD13 LEU 12 3HD1 LEU 12 17.298 -0.099 -16.956 95 HD21 LEU 12 3HD2 LEU 12 16.728 -2.331 -14.221 96 HD22 LEU 12 1HD2 LEU 12 17.854 -1.010 -13.909 97 HD23 LEU 12 2HD2 LEU 12 17.849 -1.810 -15.481 98 H TYR 13 H TYR 13 12.407 0.778 -13.216 99 HA TYR 13 HA TYR 13 12.740 2.803 -11.372 100 HB2 TYR 13 2HB TYR 13 10.863 2.850 -12.859 101 HB3 TYR 13 3HB TYR 13 10.236 1.338 -12.211 102 HD1 TYR 13 HD1 TYR 13 11.265 4.673 -10.853 103 HD2 TYR 13 HD2 TYR 13 8.374 1.552 -10.881 104 HE1 TYR 13 HE1 TYR 13 9.894 5.937 -9.249 105 HE2 TYR 13 HE2 TYR 13 6.995 2.807 -9.277 106 HH TYR 13 HH TYR 13 7.978 6.020 -8.129 107 H ARG 14 H ARG 14 11.007 -0.263 -10.789 108 HA ARG 14 HA ARG 14 10.654 0.088 -8.042 109 HB2 ARG 14 2HB ARG 14 10.636 -2.258 -9.883 110 HB3 ARG 14 3HB ARG 14 10.683 -2.565 -8.152 111 HG2 ARG 14 2HG ARG 14 8.597 -1.621 -7.797 112 HG3 ARG 14 3HG ARG 14 8.643 -0.712 -9.309 113 HD2 ARG 14 2HD ARG 14 7.221 -2.380 -9.928 114 HD3 ARG 14 3HD ARG 14 8.755 -3.147 -10.340 115 HE ARG 14 HE ARG 14 7.844 -3.682 -7.659 116 HH11 ARG 14 1HH1 ARG 14 7.747 -4.684 -10.992 117 HH12 ARG 14 2HH1 ARG 14 7.334 -6.326 -10.622 118 HH21 ARG 14 1HH2 ARG 14 7.299 -5.840 -7.160 119 HH22 ARG 14 2HH2 ARG 14 7.078 -6.982 -8.442 120 H LEU 15 H LEU 15 13.432 -0.895 -9.862 121 HA LEU 15 HA LEU 15 14.831 -2.094 -7.665 122 HB2 LEU 15 2HB LEU 15 15.989 -1.030 -10.232 123 HB3 LEU 15 3HB LEU 15 16.711 -2.212 -9.143 124 HG LEU 15 HG LEU 15 14.266 -2.637 -10.860 125 HD11 LEU 15 1HD1 LEU 15 15.597 -3.975 -12.247 126 HD12 LEU 15 2HD1 LEU 15 16.923 -4.014 -11.086 127 HD13 LEU 15 3HD1 LEU 15 16.562 -2.527 -11.963 128 HD21 LEU 15 3HD2 LEU 15 14.156 -3.855 -8.731 129 HD22 LEU 15 1HD2 LEU 15 15.736 -4.564 -9.065 130 HD23 LEU 15 2HD2 LEU 15 14.363 -4.943 -10.105 131 H THR 16 H THR 16 14.248 -0.111 -6.303 132 HA THR 16 HA THR 16 16.475 1.811 -6.470 133 HB THR 16 HB THR 16 14.872 3.436 -5.303 134 HG1 THR 16 HG1 THR 16 12.819 2.887 -5.168 135 HG21 THR 16 3HG2 THR 16 15.375 4.122 -7.431 136 HG22 THR 16 1HG2 THR 16 13.650 3.813 -7.620 137 HG23 THR 16 2HG2 THR 16 14.825 2.616 -8.165 138 H SER 17 H SER 17 17.068 2.787 -4.390 139 HA SER 17 HA SER 17 17.473 0.837 -2.403 140 HB2 SER 17 2HB SER 17 18.734 3.103 -2.943 141 HB3 SER 17 3HB SER 17 17.644 3.740 -1.712 142 HG SER 17 HG SER 17 19.737 2.891 -0.969 143 H ARG 18 H ARG 18 15.038 3.319 -2.811 144 HA ARG 18 HA ARG 18 13.984 3.170 -0.171 145 HB2 ARG 18 2HB ARG 18 12.471 4.049 -2.626 146 HB3 ARG 18 3HB ARG 18 12.216 4.551 -0.960 147 HG2 ARG 18 2HG ARG 18 14.572 5.239 -2.703 148 HG3 ARG 18 3HG ARG 18 13.275 6.323 -2.197 149 HD2 ARG 18 2HD ARG 18 13.958 6.045 0.137 150 HD3 ARG 18 3HD ARG 18 15.251 4.960 -0.371 151 HE ARG 18 HE ARG 18 15.596 7.339 -1.756 152 HH11 ARG 18 1HH1 ARG 18 15.619 6.238 1.547 153 HH12 ARG 18 2HH1 ARG 18 16.750 7.438 2.076 154 HH21 ARG 18 1HH2 ARG 18 17.086 8.924 -1.071 155 HH22 ARG 18 2HH2 ARG 18 17.584 8.966 0.587 156 H TYR 19 H TYR 19 13.002 1.749 -3.275 157 HA TYR 19 HA TYR 19 10.690 0.462 -2.492 158 HB2 TYR 19 2HB TYR 19 11.299 0.494 -4.807 159 HB3 TYR 19 3HB TYR 19 12.796 -0.374 -4.489 160 HD1 TYR 19 HD1 TYR 19 9.096 -0.745 -4.355 161 HD2 TYR 19 HD2 TYR 19 12.861 -2.705 -4.642 162 HE1 TYR 19 HE1 TYR 19 7.947 -2.874 -4.799 163 HE2 TYR 19 HE2 TYR 19 11.723 -4.839 -5.088 164 HH TYR 19 HH TYR 19 9.665 -5.714 -5.804 165 H ARG 20 H ARG 20 13.998 -0.863 -2.455 166 HA ARG 20 HA ARG 20 13.393 -3.348 -1.356 167 HB2 ARG 20 2HB ARG 20 15.909 -1.724 -0.933 168 HB3 ARG 20 3HB ARG 20 15.746 -3.460 -0.704 169 HG2 ARG 20 2HG ARG 20 14.953 -3.323 -3.237 170 HG3 ARG 20 3HG ARG 20 15.975 -1.885 -3.197 171 HD2 ARG 20 2HD ARG 20 17.431 -3.587 -3.846 172 HD3 ARG 20 3HD ARG 20 17.734 -3.409 -2.118 173 HE ARG 20 HE ARG 20 15.802 -5.359 -2.349 174 HH11 ARG 20 1HH1 ARG 20 19.069 -4.885 -3.453 175 HH12 ARG 20 2HH1 ARG 20 19.450 -6.575 -3.462 176 HH21 ARG 20 1HH2 ARG 20 16.291 -7.587 -2.355 177 HH22 ARG 20 2HH2 ARG 20 17.869 -8.111 -2.838 178 H HIS 21 H HIS 21 13.667 -0.221 0.141 179 HA HIS 21 HA HIS 21 13.759 -1.291 2.829 180 HB2 HIS 21 2HB HIS 21 14.815 0.922 1.980 181 HB3 HIS 21 3HB HIS 21 13.191 1.581 2.149 182 HD1 HIS 21 HD1 HIS 21 15.400 -0.557 4.410 183 HD2 HIS 21 HD2 HIS 21 13.015 2.844 4.519 184 HE1 HIS 21 HE1 HIS 21 15.502 0.260 6.786 185 H TYR 22 H TYR 22 11.380 -0.292 0.545 186 HA TYR 22 HA TYR 22 9.300 0.116 2.510 187 HB2 TYR 22 2HB TYR 22 9.358 0.107 -0.501 188 HB3 TYR 22 3HB TYR 22 7.843 0.190 0.391 189 HD1 TYR 22 HD2 TYR 22 8.345 1.984 2.567 190 HD2 TYR 22 HD1 TYR 22 9.813 2.174 -1.421 191 HE1 TYR 22 HE2 TYR 22 8.601 4.421 2.784 192 HE2 TYR 22 HE1 TYR 22 10.075 4.611 -1.215 193 HH TYR 22 HH TYR 22 10.303 6.221 1.403 194 H ALA 23 H ALA 23 10.045 -2.292 0.004 195 HA ALA 23 HA ALA 23 7.862 -3.997 0.650 196 HB1 ALA 23 1HB ALA 23 10.111 -4.015 -1.202 197 HB2 ALA 23 2HB ALA 23 9.704 -5.617 -0.585 198 HB3 ALA 23 3HB ALA 23 8.475 -4.646 -1.396 199 H ALA 24 H ALA 24 10.951 -3.491 2.042 200 HA ALA 24 HA ALA 24 11.011 -6.093 3.351 201 HB1 ALA 24 1HB ALA 24 13.122 -5.291 2.562 202 HB2 ALA 24 2HB ALA 24 12.919 -3.763 3.419 203 HB3 ALA 24 3HB ALA 24 13.147 -5.258 4.326 204 H PHE 25 H PHE 25 9.109 -3.663 3.858 205 HA PHE 25 HA PHE 25 9.169 -3.961 6.768 206 HB2 PHE 25 2HB PHE 25 9.315 -1.378 5.251 207 HB3 PHE 25 3HB PHE 25 8.509 -1.429 6.815 208 HD1 PHE 25 HD1 PHE 25 11.716 -2.362 5.172 209 HD2 PHE 25 HD2 PHE 25 9.746 -1.136 8.740 210 HE1 PHE 25 HE1 PHE 25 13.894 -2.139 6.294 211 HE2 PHE 25 HE2 PHE 25 11.921 -0.911 9.868 212 HZ PHE 25 HZ PHE 25 13.999 -1.412 8.644 213 H GLU 26 H GLU 26 7.383 -2.493 4.057 214 HA GLU 26 HA GLU 26 4.887 -2.312 5.217 215 HB2 GLU 26 2HB GLU 26 5.907 -2.532 2.454 216 HB3 GLU 26 3HB GLU 26 4.218 -2.967 2.671 217 HG2 GLU 26 2HG GLU 26 5.160 -0.437 3.894 218 HG3 GLU 26 3HG GLU 26 4.981 -0.494 2.142 219 H ARG 27 H ARG 27 6.521 -5.126 3.928 220 HA ARG 27 HA ARG 27 4.544 -6.841 5.184 221 HB2 ARG 27 2HB ARG 27 4.993 -6.711 2.224 222 HB3 ARG 27 3HB ARG 27 4.565 -8.242 2.975 223 HG2 ARG 27 2HG ARG 27 2.516 -7.281 3.839 224 HG3 ARG 27 3HG ARG 27 2.955 -5.706 3.174 225 HD2 ARG 27 2HD ARG 27 2.851 -6.588 0.924 226 HD3 ARG 27 3HD ARG 27 2.538 -8.208 1.544 227 HE ARG 27 HE ARG 27 0.575 -6.410 2.488 228 HH11 ARG 27 1HH1 ARG 27 1.589 -8.077 -0.396 229 HH12 ARG 27 2HH1 ARG 27 0.000 -8.121 -1.086 230 HH21 ARG 27 1HH2 ARG 27 -1.521 -6.462 1.590 231 HH22 ARG 27 2HH2 ARG 27 -1.768 -7.201 0.044 232 H ALA 28 H ALA 28 7.478 -6.658 3.200 233 HA ALA 28 HA ALA 28 9.465 -7.762 3.311 234 HB1 ALA 28 1HB ALA 28 10.115 -7.412 5.416 235 HB2 ALA 28 2HB ALA 28 8.495 -7.697 6.053 236 HB3 ALA 28 3HB ALA 28 9.571 -9.058 5.738 237 H THR 29 H THR 29 6.777 -9.146 2.687 238 HA THR 29 HA THR 29 7.238 -11.908 3.320 239 HB THR 29 HB THR 29 4.958 -10.862 2.937 240 HG1 THR 29 HG1 THR 29 4.462 -12.903 2.755 241 HG21 THR 29 3HG2 THR 29 5.754 -9.739 0.774 242 HG22 THR 29 1HG2 THR 29 4.159 -10.490 0.759 243 HG23 THR 29 2HG2 THR 29 5.530 -11.317 0.021 244 H PHE 30 H PHE 30 7.942 -9.777 0.646 245 HA PHE 30 HA PHE 30 8.372 -11.544 -1.423 246 HB2 PHE 30 2HB PHE 30 10.144 -9.174 -0.807 247 HB3 PHE 30 3HB PHE 30 9.844 -9.897 -2.385 248 HD1 PHE 30 HD2 PHE 30 7.578 -9.689 -3.411 249 HD2 PHE 30 HD1 PHE 30 8.709 -7.539 0.084 250 HE1 PHE 30 HE2 PHE 30 5.709 -8.130 -3.770 251 HE2 PHE 30 HE1 PHE 30 6.841 -5.976 -0.269 252 HZ PHE 30 HZ PHE 30 5.339 -6.270 -2.198 Start of MODEL 6 1 H1 TYR 1 H TYR 1 2.299 -4.948 -3.345 2 HA TYR 1 HA TYR 1 -0.322 -3.683 -2.893 3 HB2 TYR 1 2HB TYR 1 1.065 -1.976 -1.586 4 HB3 TYR 1 3HB TYR 1 0.865 -3.566 -0.858 5 HD1 TYR 1 HD1 TYR 1 3.234 -1.557 -2.910 6 HD2 TYR 1 HD2 TYR 1 2.735 -4.793 -0.193 7 HE1 TYR 1 HE1 TYR 1 5.677 -1.774 -2.729 8 HE2 TYR 1 HE2 TYR 1 5.177 -5.018 -0.004 9 HH TYR 1 HH TYR 1 7.365 -2.899 -1.834 10 H ALA 2 H ALA 2 2.664 -3.558 -4.648 11 HA ALA 2 HA ALA 2 1.894 -0.996 -5.868 12 HB1 ALA 2 1HB ALA 2 4.521 -2.432 -5.655 13 HB2 ALA 2 2HB ALA 2 4.267 -1.125 -6.813 14 HB3 ALA 2 3HB ALA 2 4.092 -0.818 -5.086 15 H GLU 3 H GLU 3 0.637 -1.295 -7.597 16 HA GLU 3 HA GLU 3 1.440 -3.354 -9.546 17 HB2 GLU 3 2HB GLU 3 -0.974 -3.486 -10.184 18 HB3 GLU 3 3HB GLU 3 -0.625 -4.065 -8.561 19 HG2 GLU 3 2HG GLU 3 -1.389 -1.916 -7.649 20 HG3 GLU 3 3HG GLU 3 -1.787 -1.384 -9.282 21 H LYS 4 H LYS 4 0.127 -0.137 -9.022 22 HA LYS 4 HA LYS 4 0.483 0.463 -11.879 23 HB2 LYS 4 2HB LYS 4 -1.755 0.896 -10.802 24 HB3 LYS 4 3HB LYS 4 -0.972 2.126 -9.820 25 HG2 LYS 4 2HG LYS 4 -1.793 3.417 -11.507 26 HG3 LYS 4 3HG LYS 4 -0.199 3.037 -12.162 27 HD2 LYS 4 2HD LYS 4 -1.521 2.554 -13.973 28 HD3 LYS 4 3HD LYS 4 -1.470 0.975 -13.185 29 HE2 LYS 4 2HE LYS 4 -3.629 2.900 -12.455 30 HE3 LYS 4 3HE LYS 4 -3.747 2.016 -13.976 31 HZ1 LYS 4 3HZ LYS 4 -4.126 1.084 -11.287 32 HZ2 LYS 4 1HZ LYS 4 -3.093 0.090 -12.186 33 HZ3 LYS 4 2HZ LYS 4 -4.655 0.413 -12.748 34 H VAL 5 H VAL 5 1.591 1.224 -8.682 35 HA VAL 5 HA VAL 5 2.871 3.681 -9.236 36 HB VAL 5 HB VAL 5 3.717 1.654 -7.165 37 HG11 VAL 5 1HG1 VAL 5 4.200 3.948 -5.984 38 HG12 VAL 5 2HG1 VAL 5 5.359 3.256 -7.120 39 HG13 VAL 5 3HG1 VAL 5 4.270 4.542 -7.642 40 HG21 VAL 5 3HG2 VAL 5 2.145 3.626 -5.959 41 HG22 VAL 5 1HG2 VAL 5 1.259 3.133 -7.403 42 HG23 VAL 5 2HG2 VAL 5 1.730 1.929 -6.203 43 H ALA 6 H ALA 6 3.729 0.388 -9.869 44 HA ALA 6 HA ALA 6 6.392 1.265 -10.783 45 HB1 ALA 6 1HB ALA 6 6.886 -1.279 -10.584 46 HB2 ALA 6 2HB ALA 6 6.879 -0.276 -9.133 47 HB3 ALA 6 3HB ALA 6 5.483 -1.284 -9.515 48 H GLN 7 H GLN 7 3.818 1.327 -12.237 49 HA GLN 7 HA GLN 7 4.486 -0.538 -14.419 50 HB2 GLN 7 2HB GLN 7 2.336 -1.117 -13.553 51 HB3 GLN 7 3HB GLN 7 1.819 0.564 -13.540 52 HG2 GLN 7 2HG GLN 7 0.864 -0.841 -15.375 53 HG3 GLN 7 3HG GLN 7 1.673 0.635 -15.898 54 HE21 GLN 7 1HE2 GLN 7 2.150 -0.060 -17.937 55 HE22 GLN 7 2HE2 GLN 7 3.282 -1.321 -18.273 56 H GLU 8 H GLU 8 3.889 2.746 -13.499 57 HA GLU 8 HA GLU 8 3.454 3.842 -16.068 58 HB2 GLU 8 2HB GLU 8 4.501 5.060 -13.512 59 HB3 GLU 8 3HB GLU 8 4.190 5.996 -14.968 60 HG2 GLU 8 2HG GLU 8 1.999 4.287 -13.938 61 HG3 GLU 8 3HG GLU 8 2.403 5.746 -13.034 62 H LYS 9 H LYS 9 6.304 2.836 -14.379 63 HA LYS 9 HA LYS 9 8.015 4.088 -16.414 64 HB2 LYS 9 2HB LYS 9 8.421 3.262 -13.589 65 HB3 LYS 9 3HB LYS 9 9.796 3.094 -14.673 66 HG2 LYS 9 2HG LYS 9 9.799 5.231 -13.473 67 HG3 LYS 9 3HG LYS 9 9.700 5.444 -15.222 68 HD2 LYS 9 2HD LYS 9 8.172 6.959 -14.085 69 HD3 LYS 9 3HD LYS 9 7.276 5.773 -15.036 70 HE2 LYS 9 2HE LYS 9 6.448 4.715 -13.189 71 HE3 LYS 9 3HE LYS 9 7.843 5.128 -12.193 72 HZ1 LYS 9 3HZ LYS 9 5.766 7.067 -13.054 73 HZ2 LYS 9 1HZ LYS 9 7.040 7.360 -11.980 74 HZ3 LYS 9 2HZ LYS 9 5.794 6.303 -11.545 75 H GLY 10 H GLY 10 8.364 1.113 -14.489 76 HA2 GLY 10 2HA GLY 10 7.980 -0.741 -16.528 77 HA3 GLY 10 3HA GLY 10 9.675 -0.280 -16.580 78 H PHE 11 H PHE 11 10.529 -2.212 -15.923 79 HA PHE 11 HA PHE 11 9.602 -3.375 -13.411 80 HB2 PHE 11 2HB PHE 11 10.020 -4.809 -15.429 81 HB3 PHE 11 3HB PHE 11 11.731 -4.418 -15.287 82 HD1 PHE 11 HD2 PHE 11 12.974 -5.128 -13.233 83 HD2 PHE 11 HD1 PHE 11 9.036 -6.483 -14.110 84 HE1 PHE 11 HE2 PHE 11 13.269 -6.992 -11.656 85 HE2 PHE 11 HE1 PHE 11 9.324 -8.350 -12.533 86 HZ PHE 11 HZ PHE 11 11.443 -8.607 -11.304 87 H LEU 12 H LEU 12 12.647 -2.267 -14.884 88 HA LEU 12 HA LEU 12 14.311 -2.594 -12.690 89 HB2 LEU 12 2HB LEU 12 14.462 -0.337 -14.678 90 HB3 LEU 12 3HB LEU 12 15.784 -0.999 -13.720 91 HG LEU 12 HG LEU 12 14.370 -2.799 -15.626 92 HD11 LEU 12 1HD1 LEU 12 16.647 -1.180 -16.642 93 HD12 LEU 12 2HD1 LEU 12 15.033 -0.470 -16.660 94 HD13 LEU 12 3HD1 LEU 12 15.342 -1.977 -17.521 95 HD21 LEU 12 3HD2 LEU 12 16.950 -2.636 -14.209 96 HD22 LEU 12 1HD2 LEU 12 17.007 -3.282 -15.849 97 HD23 LEU 12 2HD2 LEU 12 15.973 -4.041 -14.638 98 H TYR 13 H TYR 13 11.889 -0.189 -13.302 99 HA TYR 13 HA TYR 13 12.694 1.887 -11.656 100 HB2 TYR 13 2HB TYR 13 10.775 2.172 -13.057 101 HB3 TYR 13 3HB TYR 13 9.929 0.842 -12.275 102 HD1 TYR 13 HD1 TYR 13 10.937 4.352 -11.986 103 HD2 TYR 13 HD2 TYR 13 8.868 1.141 -10.112 104 HE1 TYR 13 HE1 TYR 13 9.895 5.942 -10.426 105 HE2 TYR 13 HE2 TYR 13 7.819 2.722 -8.547 106 HH TYR 13 HH TYR 13 8.883 5.691 -7.946 107 H ARG 14 H ARG 14 11.131 -1.155 -10.824 108 HA ARG 14 HA ARG 14 10.614 -0.507 -8.108 109 HB2 ARG 14 2HB ARG 14 10.772 -3.101 -9.626 110 HB3 ARG 14 3HB ARG 14 10.492 -3.065 -7.891 111 HG2 ARG 14 2HG ARG 14 8.384 -2.239 -8.104 112 HG3 ARG 14 3HG ARG 14 8.751 -1.384 -9.603 113 HD2 ARG 14 2HD ARG 14 8.380 -3.226 -10.906 114 HD3 ARG 14 3HD ARG 14 8.839 -4.353 -9.630 115 HE ARG 14 HE ARG 14 6.465 -3.052 -8.888 116 HH11 ARG 14 1HH1 ARG 14 7.636 -5.373 -11.204 117 HH12 ARG 14 2HH1 ARG 14 6.117 -6.193 -11.346 118 HH21 ARG 14 1HH2 ARG 14 4.460 -4.123 -9.066 119 HH22 ARG 14 2HH2 ARG 14 4.310 -5.481 -10.130 120 H LEU 15 H LEU 15 13.407 -1.623 -9.823 121 HA LEU 15 HA LEU 15 14.801 -2.621 -7.524 122 HB2 LEU 15 2HB LEU 15 15.751 -1.877 -10.285 123 HB3 LEU 15 3HB LEU 15 16.770 -2.616 -9.051 124 HG LEU 15 HG LEU 15 14.379 -3.858 -10.406 125 HD11 LEU 15 1HD1 LEU 15 16.412 -3.772 -11.767 126 HD12 LEU 15 2HD1 LEU 15 16.006 -5.423 -11.302 127 HD13 LEU 15 3HD1 LEU 15 17.308 -4.569 -10.474 128 HD21 LEU 15 3HD2 LEU 15 14.937 -5.868 -9.114 129 HD22 LEU 15 1HD2 LEU 15 14.451 -4.530 -8.073 130 HD23 LEU 15 2HD2 LEU 15 16.157 -4.951 -8.228 131 H THR 16 H THR 16 14.185 -0.517 -6.358 132 HA THR 16 HA THR 16 16.455 1.340 -6.609 133 HB THR 16 HB THR 16 14.998 3.220 -6.004 134 HG1 THR 16 HG1 THR 16 12.657 2.766 -6.205 135 HG21 THR 16 3HG2 THR 16 15.269 3.146 -8.302 136 HG22 THR 16 1HG2 THR 16 13.514 3.106 -8.148 137 HG23 THR 16 2HG2 THR 16 14.406 1.617 -8.460 138 H SER 17 H SER 17 16.204 2.909 -4.502 139 HA SER 17 HA SER 17 16.750 1.150 -2.299 140 HB2 SER 17 2HB SER 17 17.990 3.305 -2.788 141 HB3 SER 17 3HB SER 17 16.562 4.166 -2.215 142 HG SER 17 HG SER 17 17.986 3.920 -0.507 143 H ARG 18 H ARG 18 14.354 3.712 -2.911 144 HA ARG 18 HA ARG 18 12.934 3.559 -0.547 145 HB2 ARG 18 2HB ARG 18 12.265 4.370 -3.331 146 HB3 ARG 18 3HB ARG 18 10.929 4.131 -2.212 147 HG2 ARG 18 2HG ARG 18 11.348 6.362 -1.932 148 HG3 ARG 18 3HG ARG 18 12.344 5.672 -0.649 149 HD2 ARG 18 2HD ARG 18 13.571 7.379 -1.878 150 HD3 ARG 18 3HD ARG 18 14.303 5.791 -2.107 151 HE ARG 18 HE ARG 18 12.446 6.389 -4.176 152 HH11 ARG 18 1HH1 ARG 18 15.672 7.062 -3.055 153 HH12 ARG 18 2HH1 ARG 18 16.287 7.420 -4.635 154 HH21 ARG 18 1HH2 ARG 18 13.243 6.857 -6.261 155 HH22 ARG 18 2HH2 ARG 18 14.904 7.304 -6.458 156 H TYR 19 H TYR 19 12.467 1.666 -3.514 157 HA TYR 19 HA TYR 19 10.212 0.237 -2.803 158 HB2 TYR 19 2HB TYR 19 11.067 0.061 -5.031 159 HB3 TYR 19 3HB TYR 19 12.599 -0.589 -4.458 160 HD1 TYR 19 HD1 TYR 19 9.001 -1.343 -4.873 161 HD2 TYR 19 HD2 TYR 19 12.873 -2.912 -4.066 162 HE1 TYR 19 HE1 TYR 19 8.126 -3.626 -5.145 163 HE2 TYR 19 HE2 TYR 19 12.009 -5.199 -4.337 164 HH TYR 19 HH TYR 19 9.441 -6.029 -5.844 165 H ARG 20 H ARG 20 13.598 -0.435 -2.027 166 HA ARG 20 HA ARG 20 13.365 -2.935 -0.884 167 HB2 ARG 20 2HB ARG 20 15.128 -0.681 0.093 168 HB3 ARG 20 3HB ARG 20 15.372 -2.396 0.398 169 HG2 ARG 20 2HG ARG 20 15.166 -2.012 -2.409 170 HG3 ARG 20 3HG ARG 20 16.314 -0.838 -1.763 171 HD2 ARG 20 2HD ARG 20 16.377 -3.830 -1.407 172 HD3 ARG 20 3HD ARG 20 17.494 -2.850 -2.357 173 HE ARG 20 HE ARG 20 17.694 -1.834 0.161 174 HH11 ARG 20 1HH1 ARG 20 18.023 -5.011 -1.225 175 HH12 ARG 20 2HH1 ARG 20 19.182 -5.545 -0.053 176 HH21 ARG 20 1HH2 ARG 20 19.219 -2.525 1.710 177 HH22 ARG 20 2HH2 ARG 20 19.861 -4.130 1.617 178 H HIS 21 H HIS 21 13.089 0.209 0.772 179 HA HIS 21 HA HIS 21 12.372 -0.900 3.279 180 HB2 HIS 21 2HB HIS 21 11.855 1.879 2.199 181 HB3 HIS 21 3HB HIS 21 11.746 1.398 3.890 182 HD1 HIS 21 HD1 HIS 21 14.129 0.433 4.883 183 HD2 HIS 21 HD2 HIS 21 14.286 2.843 1.502 184 HE1 HIS 21 HE1 HIS 21 16.504 1.249 4.749 185 H TYR 22 H TYR 22 10.580 -0.126 0.418 186 HA TYR 22 HA TYR 22 8.006 -0.052 1.674 187 HB2 TYR 22 2HB TYR 22 8.964 -0.143 -1.171 188 HB3 TYR 22 3HB TYR 22 7.259 -0.373 -0.798 189 HD1 TYR 22 HD2 TYR 22 6.687 1.518 1.282 190 HD2 TYR 22 HD1 TYR 22 9.262 1.959 -2.076 191 HE1 TYR 22 HE2 TYR 22 6.375 3.957 1.370 192 HE2 TYR 22 HE1 TYR 22 8.958 4.399 -1.996 193 HH TYR 22 HH TYR 22 8.291 6.124 -0.524 194 H ALA 23 H ALA 23 10.115 -2.521 0.562 195 HA ALA 23 HA ALA 23 7.951 -4.509 0.794 196 HB1 ALA 23 1HB ALA 23 8.608 -5.117 -1.251 197 HB2 ALA 23 2HB ALA 23 10.112 -4.201 -1.137 198 HB3 ALA 23 3HB ALA 23 10.013 -5.823 -0.452 199 H ALA 24 H ALA 24 10.288 -3.205 2.574 200 HA ALA 24 HA ALA 24 11.201 -5.750 3.735 201 HB1 ALA 24 1HB ALA 24 13.034 -4.352 3.075 202 HB2 ALA 24 2HB ALA 24 12.358 -2.975 3.947 203 HB3 ALA 24 3HB ALA 24 12.955 -4.375 4.837 204 H PHE 25 H PHE 25 8.928 -3.376 4.173 205 HA PHE 25 HA PHE 25 8.788 -3.924 7.065 206 HB2 PHE 25 2HB PHE 25 8.199 -1.356 5.591 207 HB3 PHE 25 3HB PHE 25 7.655 -1.657 7.238 208 HD1 PHE 25 HD2 PHE 25 10.791 -1.840 5.223 209 HD2 PHE 25 HD1 PHE 25 8.967 -0.875 8.945 210 HE1 PHE 25 HE2 PHE 25 12.959 -1.051 6.077 211 HE2 PHE 25 HE1 PHE 25 11.132 -0.085 9.805 212 HZ PHE 25 HZ PHE 25 13.132 -0.173 8.371 213 H GLU 26 H GLU 26 6.909 -3.015 4.189 214 HA GLU 26 HA GLU 26 4.355 -3.363 5.182 215 HB2 GLU 26 2HB GLU 26 5.598 -3.495 2.497 216 HB3 GLU 26 3HB GLU 26 4.017 -4.246 2.655 217 HG2 GLU 26 2HG GLU 26 4.373 -1.514 3.751 218 HG3 GLU 26 3HG GLU 26 4.305 -1.707 2.000 219 H ARG 27 H ARG 27 6.613 -5.782 3.961 220 HA ARG 27 HA ARG 27 5.035 -7.859 5.267 221 HB2 ARG 27 2HB ARG 27 5.573 -7.690 2.332 222 HB3 ARG 27 3HB ARG 27 5.555 -9.272 3.100 223 HG2 ARG 27 2HG ARG 27 3.313 -9.180 3.560 224 HG3 ARG 27 3HG ARG 27 3.282 -7.415 3.587 225 HD2 ARG 27 2HD ARG 27 2.189 -7.904 1.606 226 HD3 ARG 27 3HD ARG 27 3.842 -7.610 1.068 227 HE ARG 27 HE ARG 27 3.418 -10.362 1.628 228 HH11 ARG 27 1HH1 ARG 27 2.783 -7.886 -0.735 229 HH12 ARG 27 2HH1 ARG 27 2.683 -8.995 -2.062 230 HH21 ARG 27 1HH2 ARG 27 3.290 -11.832 -0.111 231 HH22 ARG 27 2HH2 ARG 27 2.971 -11.240 -1.706 232 H ALA 28 H ALA 28 7.957 -7.105 3.397 233 HA ALA 28 HA ALA 28 10.131 -7.731 3.648 234 HB1 ALA 28 1HB ALA 28 10.604 -7.130 5.740 235 HB2 ALA 28 2HB ALA 28 9.043 -7.694 6.338 236 HB3 ALA 28 3HB ALA 28 10.384 -8.827 6.170 237 H THR 29 H THR 29 7.856 -9.716 3.023 238 HA THR 29 HA THR 29 8.911 -12.260 3.859 239 HB THR 29 HB THR 29 6.461 -11.786 3.385 240 HG1 THR 29 HG1 THR 29 6.218 -13.907 2.395 241 HG21 THR 29 3HG2 THR 29 7.020 -10.656 1.161 242 HG22 THR 29 1HG2 THR 29 5.655 -11.771 1.173 243 HG23 THR 29 2HG2 THR 29 7.208 -12.286 0.515 244 H PHE 30 H PHE 30 9.180 -10.183 1.068 245 HA PHE 30 HA PHE 30 10.043 -11.917 -0.889 246 HB2 PHE 30 2HB PHE 30 11.234 -9.185 -0.389 247 HB3 PHE 30 3HB PHE 30 11.137 -10.038 -1.926 248 HD1 PHE 30 HD1 PHE 30 8.905 -10.393 -2.987 249 HD2 PHE 30 HD2 PHE 30 9.453 -7.861 0.390 250 HE1 PHE 30 HE1 PHE 30 6.748 -9.307 -3.456 251 HE2 PHE 30 HE2 PHE 30 7.297 -6.771 -0.073 252 HZ PHE 30 HZ PHE 30 5.940 -7.494 -1.997 Start of MODEL 7 1 H1 TYR 1 H TYR 1 1.568 -5.368 -3.565 2 HA TYR 1 HA TYR 1 -0.675 -3.471 -3.597 3 HB2 TYR 1 2HB TYR 1 0.432 -2.337 -1.760 4 HB3 TYR 1 3HB TYR 1 0.287 -4.051 -1.386 5 HD1 TYR 1 HD1 TYR 1 2.602 -1.331 -2.193 6 HD2 TYR 1 HD2 TYR 1 2.255 -5.472 -1.278 7 HE1 TYR 1 HE1 TYR 1 5.023 -1.434 -1.770 8 HE2 TYR 1 HE2 TYR 1 4.675 -5.586 -0.852 9 HH TYR 1 HH TYR 1 6.609 -4.493 -0.915 10 H ALA 2 H ALA 2 2.629 -3.940 -4.613 11 HA ALA 2 HA ALA 2 2.724 -1.217 -5.706 12 HB1 ALA 2 1HB ALA 2 4.605 -2.098 -4.270 13 HB2 ALA 2 2HB ALA 2 4.999 -3.182 -5.605 14 HB3 ALA 2 3HB ALA 2 5.074 -1.435 -5.836 15 H GLU 3 H GLU 3 1.004 -2.310 -7.209 16 HA GLU 3 HA GLU 3 2.403 -3.510 -9.507 17 HB2 GLU 3 2HB GLU 3 0.564 -4.846 -8.360 18 HB3 GLU 3 3HB GLU 3 -0.562 -3.648 -8.982 19 HG2 GLU 3 2HG GLU 3 0.565 -4.219 -11.271 20 HG3 GLU 3 3HG GLU 3 1.012 -5.708 -10.441 21 H LYS 4 H LYS 4 0.402 -0.908 -8.404 22 HA LYS 4 HA LYS 4 -0.253 0.027 -11.059 23 HB2 LYS 4 2HB LYS 4 -1.774 0.333 -9.101 24 HB3 LYS 4 3HB LYS 4 -0.596 1.441 -8.409 25 HG2 LYS 4 2HG LYS 4 -0.969 3.054 -10.053 26 HG3 LYS 4 3HG LYS 4 -1.749 1.899 -11.136 27 HD2 LYS 4 2HD LYS 4 -2.946 2.493 -8.459 28 HD3 LYS 4 3HD LYS 4 -3.200 3.603 -9.808 29 HE2 LYS 4 2HE LYS 4 -3.749 0.653 -10.012 30 HE3 LYS 4 3HE LYS 4 -4.961 1.803 -9.448 31 HZ1 LYS 4 3HZ LYS 4 -4.511 1.128 -12.035 32 HZ2 LYS 4 1HZ LYS 4 -3.699 2.606 -11.897 33 HZ3 LYS 4 2HZ LYS 4 -5.342 2.505 -11.512 34 H VAL 5 H VAL 5 2.189 0.589 -8.654 35 HA VAL 5 HA VAL 5 3.204 2.918 -10.114 36 HB VAL 5 HB VAL 5 4.763 3.183 -8.206 37 HG11 VAL 5 1HG1 VAL 5 3.170 4.086 -6.703 38 HG12 VAL 5 2HG1 VAL 5 2.468 4.231 -8.315 39 HG13 VAL 5 3HG1 VAL 5 1.926 2.952 -7.228 40 HG21 VAL 5 3HG2 VAL 5 4.442 0.597 -7.695 41 HG22 VAL 5 1HG2 VAL 5 4.891 1.751 -6.439 42 HG23 VAL 5 2HG2 VAL 5 3.214 1.227 -6.597 43 H ALA 6 H ALA 6 3.439 0.536 -11.491 44 HA ALA 6 HA ALA 6 6.355 0.167 -11.481 45 HB1 ALA 6 1HB ALA 6 5.762 -1.838 -10.510 46 HB2 ALA 6 2HB ALA 6 4.244 -1.944 -11.403 47 HB3 ALA 6 3HB ALA 6 5.773 -2.261 -12.223 48 H GLN 7 H GLN 7 3.326 -0.173 -13.288 49 HA GLN 7 HA GLN 7 4.533 -0.582 -15.816 50 HB2 GLN 7 2HB GLN 7 2.333 -0.169 -16.742 51 HB3 GLN 7 3HB GLN 7 2.186 -1.170 -15.303 52 HG2 GLN 7 2HG GLN 7 0.480 0.326 -14.997 53 HG3 GLN 7 3HG GLN 7 1.784 1.098 -14.097 54 HE21 GLN 7 1HE2 GLN 7 0.979 3.153 -14.302 55 HE22 GLN 7 2HE2 GLN 7 0.943 4.006 -15.804 56 H GLU 8 H GLU 8 3.870 2.245 -13.927 57 HA GLU 8 HA GLU 8 3.739 4.239 -15.831 58 HB2 GLU 8 2HB GLU 8 4.837 4.150 -13.044 59 HB3 GLU 8 3HB GLU 8 5.023 5.608 -14.008 60 HG2 GLU 8 2HG GLU 8 2.430 4.275 -13.265 61 HG3 GLU 8 3HG GLU 8 3.073 5.772 -12.595 62 H LYS 9 H LYS 9 6.488 2.377 -14.777 63 HA LYS 9 HA LYS 9 8.145 3.793 -16.756 64 HB2 LYS 9 2HB LYS 9 8.779 3.051 -13.930 65 HB3 LYS 9 3HB LYS 9 10.072 3.039 -15.122 66 HG2 LYS 9 2HG LYS 9 8.329 5.443 -14.927 67 HG3 LYS 9 3HG LYS 9 9.563 5.175 -13.693 68 HD2 LYS 9 2HD LYS 9 11.154 4.816 -15.702 69 HD3 LYS 9 3HD LYS 9 9.898 5.629 -16.638 70 HE2 LYS 9 2HE LYS 9 10.066 7.367 -14.642 71 HE3 LYS 9 3HE LYS 9 11.690 6.692 -14.518 72 HZ1 LYS 9 3HZ LYS 9 12.331 7.786 -16.327 73 HZ2 LYS 9 1HZ LYS 9 10.893 8.669 -16.220 74 HZ3 LYS 9 2HZ LYS 9 10.975 7.305 -17.216 75 H GLY 10 H GLY 10 8.512 0.913 -14.682 76 HA2 GLY 10 2HA GLY 10 8.133 -1.033 -16.625 77 HA3 GLY 10 3HA GLY 10 9.828 -0.577 -16.709 78 H PHE 11 H PHE 11 10.716 -2.445 -15.948 79 HA PHE 11 HA PHE 11 9.785 -3.513 -13.396 80 HB2 PHE 11 2HB PHE 11 10.150 -5.157 -15.122 81 HB3 PHE 11 3HB PHE 11 11.778 -4.553 -15.417 82 HD1 PHE 11 HD1 PHE 11 9.666 -6.103 -12.780 83 HD2 PHE 11 HD2 PHE 11 13.585 -5.511 -14.332 84 HE1 PHE 11 HE1 PHE 11 10.553 -7.713 -11.144 85 HE2 PHE 11 HE2 PHE 11 14.478 -7.121 -12.700 86 HZ PHE 11 HZ PHE 11 12.962 -8.225 -11.104 87 H LEU 12 H LEU 12 12.729 -2.220 -14.885 88 HA LEU 12 HA LEU 12 14.427 -2.487 -12.678 89 HB2 LEU 12 2HB LEU 12 14.480 -0.330 -14.782 90 HB3 LEU 12 3HB LEU 12 15.821 -0.811 -13.744 91 HG LEU 12 HG LEU 12 14.590 -2.813 -15.591 92 HD11 LEU 12 1HD1 LEU 12 15.280 -0.502 -16.689 93 HD12 LEU 12 2HD1 LEU 12 15.625 -2.047 -17.465 94 HD13 LEU 12 3HD1 LEU 12 16.890 -1.213 -16.563 95 HD21 LEU 12 3HD2 LEU 12 16.152 -3.833 -14.237 96 HD22 LEU 12 1HD2 LEU 12 17.189 -2.407 -14.177 97 HD23 LEU 12 2HD2 LEU 12 17.131 -3.393 -15.638 98 H TYR 13 H TYR 13 12.010 -0.088 -13.455 99 HA TYR 13 HA TYR 13 12.757 1.983 -11.762 100 HB2 TYR 13 2HB TYR 13 10.968 2.319 -13.319 101 HB3 TYR 13 3HB TYR 13 10.019 1.022 -12.601 102 HD1 TYR 13 HD1 TYR 13 11.255 4.462 -12.100 103 HD2 TYR 13 HD2 TYR 13 8.657 1.407 -10.680 104 HE1 TYR 13 HE1 TYR 13 10.144 6.096 -10.635 105 HE2 TYR 13 HE2 TYR 13 7.538 3.033 -9.212 106 HH TYR 13 HH TYR 13 8.513 5.507 -8.128 107 H ARG 14 H ARG 14 10.813 -0.899 -11.066 108 HA ARG 14 HA ARG 14 10.126 -0.277 -8.428 109 HB2 ARG 14 2HB ARG 14 10.338 -2.794 -10.013 110 HB3 ARG 14 3HB ARG 14 10.181 -2.927 -8.266 111 HG2 ARG 14 2HG ARG 14 8.085 -1.819 -8.282 112 HG3 ARG 14 3HG ARG 14 8.280 -1.340 -9.969 113 HD2 ARG 14 2HD ARG 14 8.317 -4.236 -9.245 114 HD3 ARG 14 3HD ARG 14 6.776 -3.384 -9.332 115 HE ARG 14 HE ARG 14 8.303 -2.891 -11.660 116 HH11 ARG 14 1HH1 ARG 14 6.422 -5.368 -10.096 117 HH12 ARG 14 2HH1 ARG 14 5.976 -6.148 -11.577 118 HH21 ARG 14 1HH2 ARG 14 7.723 -3.909 -13.617 119 HH22 ARG 14 2HH2 ARG 14 6.717 -5.317 -13.580 120 H LEU 15 H LEU 15 13.087 -1.473 -9.803 121 HA LEU 15 HA LEU 15 14.225 -2.388 -7.343 122 HB2 LEU 15 2HB LEU 15 15.656 -1.601 -9.874 123 HB3 LEU 15 3HB LEU 15 16.274 -2.623 -8.578 124 HG LEU 15 HG LEU 15 14.028 -3.322 -10.468 125 HD11 LEU 15 1HD1 LEU 15 15.606 -4.989 -11.329 126 HD12 LEU 15 2HD1 LEU 15 16.859 -4.340 -10.271 127 HD13 LEU 15 3HD1 LEU 15 16.193 -3.342 -11.564 128 HD21 LEU 15 3HD2 LEU 15 14.149 -5.540 -9.436 129 HD22 LEU 15 1HD2 LEU 15 13.689 -4.303 -8.267 130 HD23 LEU 15 2HD2 LEU 15 15.336 -4.935 -8.279 131 H THR 16 H THR 16 13.644 -0.413 -6.121 132 HA THR 16 HA THR 16 15.867 1.497 -6.222 133 HB THR 16 HB THR 16 14.147 3.299 -5.561 134 HG1 THR 16 HG1 THR 16 12.358 1.672 -7.034 135 HG21 THR 16 3HG2 THR 16 14.947 3.876 -7.584 136 HG22 THR 16 1HG2 THR 16 13.415 3.248 -8.190 137 HG23 THR 16 2HG2 THR 16 14.852 2.226 -8.199 138 H SER 17 H SER 17 16.175 2.679 -4.208 139 HA SER 17 HA SER 17 16.187 1.041 -1.964 140 HB2 SER 17 2HB SER 17 17.482 3.253 -2.473 141 HB3 SER 17 3HB SER 17 16.114 4.028 -1.674 142 HG SER 17 HG SER 17 17.747 3.553 -0.177 143 H ARG 18 H ARG 18 14.000 3.752 -2.704 144 HA ARG 18 HA ARG 18 12.420 3.678 -0.443 145 HB2 ARG 18 2HB ARG 18 11.953 4.506 -3.270 146 HB3 ARG 18 3HB ARG 18 10.563 4.391 -2.199 147 HG2 ARG 18 2HG ARG 18 11.219 6.617 -2.051 148 HG3 ARG 18 3HG ARG 18 11.901 5.874 -0.603 149 HD2 ARG 18 2HD ARG 18 14.060 5.968 -1.411 150 HD3 ARG 18 3HD ARG 18 13.538 6.013 -3.094 151 HE ARG 18 HE ARG 18 12.629 8.352 -1.959 152 HH11 ARG 18 1HH1 ARG 18 15.708 6.807 -2.460 153 HH12 ARG 18 2HH1 ARG 18 16.585 8.297 -2.572 154 HH21 ARG 18 1HH2 ARG 18 13.772 10.321 -2.105 155 HH22 ARG 18 2HH2 ARG 18 15.483 10.295 -2.370 156 H TYR 19 H TYR 19 12.135 1.749 -3.396 157 HA TYR 19 HA TYR 19 9.739 0.428 -2.643 158 HB2 TYR 19 2HB TYR 19 10.323 0.477 -4.963 159 HB3 TYR 19 3HB TYR 19 11.891 -0.257 -4.648 160 HD1 TYR 19 HD2 TYR 19 8.269 -0.883 -4.852 161 HD2 TYR 19 HD1 TYR 19 12.122 -2.631 -4.402 162 HE1 TYR 19 HE2 TYR 19 7.301 -3.107 -5.260 163 HE2 TYR 19 HE1 TYR 19 11.165 -4.860 -4.810 164 HH TYR 19 HH TYR 19 8.299 -5.722 -4.465 165 H ARG 20 H ARG 20 13.167 -0.430 -2.387 166 HA ARG 20 HA ARG 20 12.792 -3.019 -1.345 167 HB2 ARG 20 2HB ARG 20 15.075 -1.062 -1.217 168 HB3 ARG 20 3HB ARG 20 15.160 -2.625 -0.417 169 HG2 ARG 20 2HG ARG 20 15.395 -3.758 -2.353 170 HG3 ARG 20 3HG ARG 20 14.347 -2.658 -3.251 171 HD2 ARG 20 2HD ARG 20 16.135 -1.652 -4.095 172 HD3 ARG 20 3HD ARG 20 16.644 -1.202 -2.468 173 HE ARG 20 HE ARG 20 17.739 -3.283 -4.108 174 HH11 ARG 20 1HH1 ARG 20 17.226 -2.215 -0.834 175 HH12 ARG 20 2HH1 ARG 20 18.561 -3.115 -0.193 176 HH21 ARG 20 1HH2 ARG 20 19.499 -4.472 -3.276 177 HH22 ARG 20 2HH2 ARG 20 19.854 -4.397 -1.584 178 H HIS 21 H HIS 21 12.625 0.125 0.101 179 HA HIS 21 HA HIS 21 12.942 -0.749 2.809 180 HB2 HIS 21 2HB HIS 21 12.114 1.799 1.476 181 HB3 HIS 21 3HB HIS 21 11.790 1.588 3.194 182 HD1 HIS 21 HD1 HIS 21 14.905 0.067 1.894 183 HD2 HIS 21 HD2 HIS 21 13.721 3.617 3.699 184 HE1 HIS 21 HE1 HIS 21 17.032 1.188 2.631 185 H TYR 22 H TYR 22 10.116 0.438 0.980 186 HA TYR 22 HA TYR 22 8.186 -0.094 2.903 187 HB2 TYR 22 2HB TYR 22 7.915 -0.186 -0.109 188 HB3 TYR 22 3HB TYR 22 6.570 -0.116 1.024 189 HD1 TYR 22 HD2 TYR 22 7.349 1.875 2.954 190 HD2 TYR 22 HD1 TYR 22 8.018 1.823 -1.247 191 HE1 TYR 22 HE2 TYR 22 7.468 4.332 2.948 192 HE2 TYR 22 HE1 TYR 22 8.140 4.279 -1.265 193 HH TYR 22 HH TYR 22 7.836 6.147 -0.070 194 H ALA 23 H ALA 23 9.480 -2.197 0.368 195 HA ALA 23 HA ALA 23 7.739 -4.380 0.894 196 HB1 ALA 23 1HB ALA 23 8.591 -4.823 -1.122 197 HB2 ALA 23 2HB ALA 23 10.026 -3.839 -0.831 198 HB3 ALA 23 3HB ALA 23 9.966 -5.503 -0.251 199 H ALA 24 H ALA 24 10.324 -3.106 2.629 200 HA ALA 24 HA ALA 24 11.058 -5.663 3.843 201 HB1 ALA 24 1HB ALA 24 12.383 -3.126 3.454 202 HB2 ALA 24 2HB ALA 24 12.475 -3.651 5.135 203 HB3 ALA 24 3HB ALA 24 13.064 -4.704 3.850 204 H PHE 25 H PHE 25 8.670 -3.490 4.246 205 HA PHE 25 HA PHE 25 8.503 -4.028 7.133 206 HB2 PHE 25 2HB PHE 25 7.488 -1.481 5.879 207 HB3 PHE 25 3HB PHE 25 7.695 -1.841 7.590 208 HD1 PHE 25 HD1 PHE 25 10.383 -2.909 7.733 209 HD2 PHE 25 HD2 PHE 25 8.861 0.304 5.392 210 HE1 PHE 25 HE1 PHE 25 12.623 -1.894 7.676 211 HE2 PHE 25 HE2 PHE 25 11.099 1.324 5.331 212 HZ PHE 25 HZ PHE 25 12.984 0.225 6.473 213 H GLU 26 H GLU 26 6.663 -3.043 4.253 214 HA GLU 26 HA GLU 26 4.100 -3.477 5.168 215 HB2 GLU 26 2HB GLU 26 5.413 -3.392 2.545 216 HB3 GLU 26 3HB GLU 26 3.942 -4.354 2.571 217 HG2 GLU 26 2HG GLU 26 3.885 -1.654 3.807 218 HG3 GLU 26 3HG GLU 26 3.901 -1.778 2.048 219 H ARG 27 H ARG 27 6.448 -5.821 3.990 220 HA ARG 27 HA ARG 27 4.871 -7.959 5.184 221 HB2 ARG 27 2HB ARG 27 5.442 -7.687 2.269 222 HB3 ARG 27 3HB ARG 27 5.492 -9.295 2.979 223 HG2 ARG 27 2HG ARG 27 3.133 -7.506 3.411 224 HG3 ARG 27 3HG ARG 27 3.294 -8.461 1.936 225 HD2 ARG 27 2HD ARG 27 3.592 -9.739 4.627 226 HD3 ARG 27 3HD ARG 27 1.993 -9.448 3.943 227 HE ARG 27 HE ARG 27 3.692 -10.783 2.093 228 HH11 ARG 27 1HH1 ARG 27 1.729 -11.276 4.926 229 HH12 ARG 27 2HH1 ARG 27 1.418 -12.945 4.580 230 HH21 ARG 27 1HH2 ARG 27 3.289 -12.979 1.626 231 HH22 ARG 27 2HH2 ARG 27 2.306 -13.913 2.703 232 H ALA 28 H ALA 28 7.822 -7.086 3.420 233 HA ALA 28 HA ALA 28 10.004 -7.658 3.727 234 HB1 ALA 28 1HB ALA 28 10.591 -7.389 5.848 235 HB2 ALA 28 2HB ALA 28 8.895 -7.533 6.310 236 HB3 ALA 28 3HB ALA 28 9.921 -8.966 6.267 237 H THR 29 H THR 29 7.787 -9.666 2.931 238 HA THR 29 HA THR 29 8.858 -12.228 3.648 239 HB THR 29 HB THR 29 6.434 -11.774 3.056 240 HG1 THR 29 HG1 THR 29 7.064 -13.899 3.158 241 HG21 THR 29 3HG2 THR 29 7.116 -10.487 0.945 242 HG22 THR 29 1HG2 THR 29 5.755 -11.600 0.816 243 HG23 THR 29 2HG2 THR 29 7.341 -12.072 0.206 244 H PHE 30 H PHE 30 9.244 -9.990 0.995 245 HA PHE 30 HA PHE 30 10.270 -11.599 -0.991 246 HB2 PHE 30 2HB PHE 30 11.346 -8.865 -0.285 247 HB3 PHE 30 3HB PHE 30 11.369 -9.641 -1.865 248 HD1 PHE 30 HD2 PHE 30 9.215 -10.004 -3.077 249 HD2 PHE 30 HD1 PHE 30 9.483 -7.630 0.446 250 HE1 PHE 30 HE2 PHE 30 7.058 -8.955 -3.624 251 HE2 PHE 30 HE1 PHE 30 7.326 -6.578 -0.095 252 HZ PHE 30 HZ PHE 30 6.111 -7.239 -2.133 Start of MODEL 8 1 H1 TYR 1 H TYR 1 1.619 -5.502 -2.540 2 HA TYR 1 HA TYR 1 0.178 -3.583 -2.850 3 HB2 TYR 1 2HB TYR 1 1.514 -1.796 -1.634 4 HB3 TYR 1 3HB TYR 1 1.383 -3.351 -0.820 5 HD1 TYR 1 HD1 TYR 1 3.324 -4.810 -0.600 6 HD2 TYR 1 HD2 TYR 1 3.636 -1.020 -2.508 7 HE1 TYR 1 HE1 TYR 1 5.774 -4.930 -0.425 8 HE2 TYR 1 HE2 TYR 1 6.087 -1.131 -2.340 9 HH TYR 1 HH TYR 1 7.844 -2.689 -2.047 10 H ALA 2 H ALA 2 1.645 -4.119 -5.366 11 HA ALA 2 HA ALA 2 1.825 -1.333 -6.304 12 HB1 ALA 2 1HB ALA 2 4.004 -2.891 -6.117 13 HB2 ALA 2 2HB ALA 2 3.456 -3.331 -7.735 14 HB3 ALA 2 3HB ALA 2 3.801 -1.645 -7.350 15 H GLU 3 H GLU 3 0.270 -0.926 -7.720 16 HA GLU 3 HA GLU 3 -0.616 -3.101 -9.501 17 HB2 GLU 3 2HB GLU 3 -2.235 -0.947 -8.148 18 HB3 GLU 3 3HB GLU 3 -2.843 -1.868 -9.516 19 HG2 GLU 3 2HG GLU 3 -1.788 -3.317 -7.138 20 HG3 GLU 3 3HG GLU 3 -3.392 -2.590 -7.072 21 H LYS 4 H LYS 4 -0.216 0.398 -9.138 22 HA LYS 4 HA LYS 4 -0.179 0.641 -12.072 23 HB2 LYS 4 2HB LYS 4 -1.901 1.970 -10.810 24 HB3 LYS 4 3HB LYS 4 -0.581 2.856 -10.057 25 HG2 LYS 4 2HG LYS 4 0.039 3.873 -12.064 26 HG3 LYS 4 3HG LYS 4 -0.858 2.705 -13.037 27 HD2 LYS 4 2HD LYS 4 -2.228 4.571 -13.115 28 HD3 LYS 4 3HD LYS 4 -2.932 3.643 -11.788 29 HE2 LYS 4 2HE LYS 4 -2.031 5.058 -10.165 30 HE3 LYS 4 3HE LYS 4 -0.837 5.725 -11.277 31 HZ1 LYS 4 3HZ LYS 4 -2.956 6.548 -12.519 32 HZ2 LYS 4 1HZ LYS 4 -2.360 7.409 -11.189 33 HZ3 LYS 4 2HZ LYS 4 -3.686 6.375 -11.002 34 H VAL 5 H VAL 5 1.533 1.402 -9.102 35 HA VAL 5 HA VAL 5 3.714 2.655 -10.583 36 HB VAL 5 HB VAL 5 4.703 3.075 -8.350 37 HG11 VAL 5 1HG1 VAL 5 3.408 4.839 -9.214 38 HG12 VAL 5 2HG1 VAL 5 1.893 3.991 -8.898 39 HG13 VAL 5 3HG1 VAL 5 2.848 4.624 -7.556 40 HG21 VAL 5 3HG2 VAL 5 3.633 1.063 -7.284 41 HG22 VAL 5 1HG2 VAL 5 3.549 2.549 -6.338 42 HG23 VAL 5 2HG2 VAL 5 2.131 1.985 -7.222 43 H ALA 6 H ALA 6 3.388 -0.014 -11.229 44 HA ALA 6 HA ALA 6 5.757 -1.234 -9.969 45 HB1 ALA 6 1HB ALA 6 4.642 -3.104 -9.520 46 HB2 ALA 6 2HB ALA 6 3.162 -2.233 -9.922 47 HB3 ALA 6 3HB ALA 6 3.988 -3.183 -11.157 48 H GLN 7 H GLN 7 3.753 -1.156 -12.906 49 HA GLN 7 HA GLN 7 5.957 -2.205 -14.488 50 HB2 GLN 7 2HB GLN 7 4.382 -2.304 -16.314 51 HB3 GLN 7 3HB GLN 7 3.631 -2.984 -14.876 52 HG2 GLN 7 2HG GLN 7 1.923 -1.699 -15.648 53 HG3 GLN 7 3HG GLN 7 2.723 -0.539 -14.589 54 HE21 GLN 7 1HE2 GLN 7 2.939 -1.699 -17.937 55 HE22 GLN 7 2HE2 GLN 7 3.140 -0.137 -18.646 56 H GLU 8 H GLU 8 4.354 0.811 -13.826 57 HA GLU 8 HA GLU 8 5.063 2.346 -16.010 58 HB2 GLU 8 2HB GLU 8 4.599 2.941 -13.124 59 HB3 GLU 8 3HB GLU 8 5.288 4.205 -14.132 60 HG2 GLU 8 2HG GLU 8 2.679 2.782 -14.606 61 HG3 GLU 8 3HG GLU 8 2.878 4.420 -13.986 62 H LYS 9 H LYS 9 6.813 3.725 -16.469 63 HA LYS 9 HA LYS 9 9.020 4.214 -16.732 64 HB2 LYS 9 2HB LYS 9 8.829 3.822 -13.756 65 HB3 LYS 9 3HB LYS 9 10.359 4.228 -14.523 66 HG2 LYS 9 2HG LYS 9 7.900 5.883 -14.966 67 HG3 LYS 9 3HG LYS 9 8.950 6.132 -13.569 68 HD2 LYS 9 2HD LYS 9 9.963 6.125 -16.405 69 HD3 LYS 9 3HD LYS 9 9.420 7.589 -15.580 70 HE2 LYS 9 2HE LYS 9 11.084 6.853 -13.730 71 HE3 LYS 9 3HE LYS 9 11.786 5.849 -14.997 72 HZ1 LYS 9 3HZ LYS 9 11.299 8.601 -15.745 73 HZ2 LYS 9 1HZ LYS 9 12.646 7.620 -16.038 74 HZ3 LYS 9 2HZ LYS 9 12.471 8.392 -14.544 75 H GLY 10 H GLY 10 8.112 1.413 -16.991 76 HA2 GLY 10 2HA GLY 10 9.155 -0.546 -17.623 77 HA3 GLY 10 3HA GLY 10 10.698 0.219 -17.276 78 H PHE 11 H PHE 11 10.499 -2.368 -16.655 79 HA PHE 11 HA PHE 11 9.499 -2.931 -14.069 80 HB2 PHE 11 2HB PHE 11 9.874 -4.752 -15.586 81 HB3 PHE 11 3HB PHE 11 11.571 -4.319 -15.773 82 HD1 PHE 11 HD2 PHE 11 13.182 -4.817 -14.019 83 HD2 PHE 11 HD1 PHE 11 9.097 -5.958 -13.662 84 HE1 PHE 11 HE2 PHE 11 13.774 -6.348 -12.187 85 HE2 PHE 11 HE1 PHE 11 9.682 -7.491 -11.828 86 HZ PHE 11 HZ PHE 11 12.023 -7.688 -11.089 87 H LEU 12 H LEU 12 12.536 -1.670 -15.247 88 HA LEU 12 HA LEU 12 14.161 -2.102 -13.026 89 HB2 LEU 12 2HB LEU 12 14.105 0.067 -15.100 90 HB3 LEU 12 3HB LEU 12 15.315 0.041 -13.819 91 HG LEU 12 HG LEU 12 15.889 -2.310 -14.677 92 HD11 LEU 12 1HD1 LEU 12 15.417 -2.235 -17.281 93 HD12 LEU 12 2HD1 LEU 12 13.991 -1.348 -16.745 94 HD13 LEU 12 3HD1 LEU 12 14.289 -2.981 -16.149 95 HD21 LEU 12 3HD2 LEU 12 17.104 -1.165 -16.715 96 HD22 LEU 12 1HD2 LEU 12 17.559 -0.794 -15.052 97 HD23 LEU 12 2HD2 LEU 12 16.512 0.309 -15.946 98 H TYR 13 H TYR 13 11.562 0.136 -13.509 99 HA TYR 13 HA TYR 13 12.120 2.135 -11.691 100 HB2 TYR 13 2HB TYR 13 10.182 2.312 -13.087 101 HB3 TYR 13 3HB TYR 13 9.485 0.845 -12.409 102 HD1 TYR 13 HD1 TYR 13 8.416 0.869 -10.224 103 HD2 TYR 13 HD2 TYR 13 10.086 4.415 -11.879 104 HE1 TYR 13 HE1 TYR 13 7.203 2.210 -8.557 105 HE2 TYR 13 HE2 TYR 13 8.878 5.766 -10.216 106 HH TYR 13 HH TYR 13 7.523 5.749 -8.462 107 H ARG 14 H ARG 14 10.595 -1.013 -11.081 108 HA ARG 14 HA ARG 14 10.056 -0.688 -8.369 109 HB2 ARG 14 2HB ARG 14 10.580 -3.068 -10.109 110 HB3 ARG 14 3HB ARG 14 10.447 -3.283 -8.369 111 HG2 ARG 14 2HG ARG 14 8.220 -2.799 -8.336 112 HG3 ARG 14 3HG ARG 14 8.315 -1.748 -9.751 113 HD2 ARG 14 2HD ARG 14 8.126 -3.483 -11.223 114 HD3 ARG 14 3HD ARG 14 8.890 -4.635 -10.129 115 HE ARG 14 HE ARG 14 6.512 -4.028 -8.934 116 HH11 ARG 14 1HH1 ARG 14 7.465 -5.244 -12.054 117 HH12 ARG 14 2HH1 ARG 14 6.013 -6.160 -12.286 118 HH21 ARG 14 1HH2 ARG 14 4.596 -5.231 -9.227 119 HH22 ARG 14 2HH2 ARG 14 4.381 -6.151 -10.678 120 H LEU 15 H LEU 15 13.052 -1.304 -10.013 121 HA LEU 15 HA LEU 15 14.480 -2.164 -7.672 122 HB2 LEU 15 2HB LEU 15 15.584 -1.153 -10.287 123 HB3 LEU 15 3HB LEU 15 16.447 -2.083 -9.063 124 HG LEU 15 HG LEU 15 14.173 -3.089 -10.773 125 HD11 LEU 15 1HD1 LEU 15 15.911 -4.513 -11.781 126 HD12 LEU 15 2HD1 LEU 15 17.133 -3.653 -10.845 127 HD13 LEU 15 3HD1 LEU 15 16.193 -2.795 -12.066 128 HD21 LEU 15 3HD2 LEU 15 14.219 -4.099 -8.534 129 HD22 LEU 15 1HD2 LEU 15 15.906 -4.550 -8.784 130 HD23 LEU 15 2HD2 LEU 15 14.646 -5.258 -9.794 131 H THR 16 H THR 16 13.422 -0.081 -6.645 132 HA THR 16 HA THR 16 15.372 2.118 -6.871 133 HB THR 16 HB THR 16 13.450 3.423 -5.666 134 HG1 THR 16 HG1 THR 16 11.945 1.432 -7.040 135 HG21 THR 16 3HG2 THR 16 13.875 4.331 -7.702 136 HG22 THR 16 1HG2 THR 16 12.337 3.570 -8.107 137 HG23 THR 16 2HG2 THR 16 13.853 2.771 -8.523 138 H SER 17 H SER 17 15.313 3.476 -4.718 139 HA SER 17 HA SER 17 16.306 1.731 -2.676 140 HB2 SER 17 2HB SER 17 17.038 4.175 -3.322 141 HB3 SER 17 3HB SER 17 15.774 4.638 -2.184 142 HG SER 17 HG SER 17 17.604 2.687 -1.385 143 H ARG 18 H ARG 18 13.420 3.709 -3.116 144 HA ARG 18 HA ARG 18 12.385 3.378 -0.505 145 HB2 ARG 18 2HB ARG 18 10.759 3.825 -3.008 146 HB3 ARG 18 3HB ARG 18 10.345 4.282 -1.361 147 HG2 ARG 18 2HG ARG 18 12.539 5.463 -3.050 148 HG3 ARG 18 3HG ARG 18 11.007 6.227 -2.620 149 HD2 ARG 18 2HD ARG 18 11.776 5.824 -0.180 150 HD3 ARG 18 3HD ARG 18 13.378 5.632 -0.891 151 HE ARG 18 HE ARG 18 12.280 8.001 -1.873 152 HH11 ARG 18 1HH1 ARG 18 13.370 6.658 1.148 153 HH12 ARG 18 2HH1 ARG 18 13.828 8.190 1.815 154 HH21 ARG 18 1HH2 ARG 18 12.879 10.025 -1.007 155 HH22 ARG 18 2HH2 ARG 18 13.547 10.105 0.588 156 H TYR 19 H TYR 19 11.773 1.652 -3.549 157 HA TYR 19 HA TYR 19 9.792 -0.080 -2.702 158 HB2 TYR 19 2HB TYR 19 10.371 0.008 -5.023 159 HB3 TYR 19 3HB TYR 19 12.024 -0.497 -4.693 160 HD1 TYR 19 HD2 TYR 19 8.517 -1.625 -4.845 161 HD2 TYR 19 HD1 TYR 19 12.584 -2.806 -4.439 162 HE1 TYR 19 HE2 TYR 19 7.866 -3.969 -5.207 163 HE2 TYR 19 HE1 TYR 19 11.945 -5.154 -4.802 164 HH TYR 19 HH TYR 19 8.548 -6.089 -5.216 165 H ARG 20 H ARG 20 13.314 -0.584 -2.601 166 HA ARG 20 HA ARG 20 13.281 -3.122 -1.434 167 HB2 ARG 20 2HB ARG 20 15.329 -0.908 -1.304 168 HB3 ARG 20 3HB ARG 20 15.605 -2.515 -0.643 169 HG2 ARG 20 2HG ARG 20 14.885 -3.233 -3.092 170 HG3 ARG 20 3HG ARG 20 15.482 -1.614 -3.461 171 HD2 ARG 20 2HD ARG 20 17.246 -3.283 -3.707 172 HD3 ARG 20 3HD ARG 20 17.614 -2.151 -2.406 173 HE ARG 20 HE ARG 20 17.513 -3.886 -0.914 174 HH11 ARG 20 1HH1 ARG 20 16.057 -4.873 -3.919 175 HH12 ARG 20 2HH1 ARG 20 15.898 -6.532 -3.448 176 HH21 ARG 20 1HH2 ARG 20 17.309 -6.068 -0.282 177 HH22 ARG 20 2HH2 ARG 20 16.610 -7.211 -1.379 178 H HIS 21 H HIS 21 12.767 0.017 -0.063 179 HA HIS 21 HA HIS 21 13.187 -0.826 2.663 180 HB2 HIS 21 2HB HIS 21 12.401 1.700 1.297 181 HB3 HIS 21 3HB HIS 21 11.921 1.503 2.980 182 HD1 HIS 21 HD1 HIS 21 15.163 0.031 1.918 183 HD2 HIS 21 HD2 HIS 21 13.773 3.511 3.714 184 HE1 HIS 21 HE1 HIS 21 17.203 1.165 2.856 185 H TYR 22 H TYR 22 10.355 0.203 0.759 186 HA TYR 22 HA TYR 22 8.408 -0.285 2.678 187 HB2 TYR 22 2HB TYR 22 8.272 -0.442 -0.335 188 HB3 TYR 22 3HB TYR 22 6.855 -0.567 0.702 189 HD1 TYR 22 HD1 TYR 22 6.932 1.436 2.614 190 HD2 TYR 22 HD2 TYR 22 8.508 1.614 -1.334 191 HE1 TYR 22 HE1 TYR 22 6.740 3.888 2.654 192 HE2 TYR 22 HE2 TYR 22 8.322 4.066 -1.305 193 HH TYR 22 HH TYR 22 7.914 5.846 1.436 194 H ALA 23 H ALA 23 9.847 -2.479 0.310 195 HA ALA 23 HA ALA 23 8.158 -4.687 0.902 196 HB1 ALA 23 1HB ALA 23 10.447 -5.803 -0.108 197 HB2 ALA 23 2HB ALA 23 9.090 -5.203 -1.063 198 HB3 ALA 23 3HB ALA 23 10.489 -4.170 -0.773 199 H ALA 24 H ALA 24 10.630 -3.228 2.647 200 HA ALA 24 HA ALA 24 11.389 -5.692 4.037 201 HB1 ALA 24 1HB ALA 24 12.498 -2.906 4.358 202 HB2 ALA 24 2HB ALA 24 13.145 -4.384 5.070 203 HB3 ALA 24 3HB ALA 24 13.178 -4.160 3.321 204 H PHE 25 H PHE 25 8.960 -3.540 4.233 205 HA PHE 25 HA PHE 25 8.737 -3.870 7.148 206 HB2 PHE 25 2HB PHE 25 7.707 -1.445 5.682 207 HB3 PHE 25 3HB PHE 25 7.866 -1.674 7.420 208 HD1 PHE 25 HD2 PHE 25 10.574 -2.685 7.705 209 HD2 PHE 25 HD1 PHE 25 9.055 0.339 5.122 210 HE1 PHE 25 HE2 PHE 25 12.795 -1.629 7.640 211 HE2 PHE 25 HE1 PHE 25 11.274 1.399 5.052 212 HZ PHE 25 HZ PHE 25 13.148 0.416 6.313 213 H GLU 26 H GLU 26 6.936 -3.125 4.171 214 HA GLU 26 HA GLU 26 4.366 -3.559 5.066 215 HB2 GLU 26 2HB GLU 26 5.728 -3.677 2.453 216 HB3 GLU 26 3HB GLU 26 4.221 -4.577 2.547 217 HG2 GLU 26 2HG GLU 26 4.251 -1.796 3.581 218 HG3 GLU 26 3HG GLU 26 4.292 -2.040 1.836 219 H ARG 27 H ARG 27 6.791 -5.917 4.095 220 HA ARG 27 HA ARG 27 5.233 -8.011 5.389 221 HB2 ARG 27 2HB ARG 27 5.874 -7.915 2.477 222 HB3 ARG 27 3HB ARG 27 5.943 -9.472 3.293 223 HG2 ARG 27 2HG ARG 27 3.532 -7.723 3.559 224 HG3 ARG 27 3HG ARG 27 3.754 -8.750 2.141 225 HD2 ARG 27 2HD ARG 27 4.070 -10.680 3.720 226 HD3 ARG 27 3HD ARG 27 3.575 -9.602 5.024 227 HE ARG 27 HE ARG 27 1.585 -9.433 3.138 228 HH11 ARG 27 1HH1 ARG 27 3.042 -11.962 5.035 229 HH12 ARG 27 2HH1 ARG 27 1.601 -12.921 5.102 230 HH21 ARG 27 1HH2 ARG 27 -0.319 -10.686 3.219 231 HH22 ARG 27 2HH2 ARG 27 -0.310 -12.195 4.068 232 H ALA 28 H ALA 28 8.210 -7.180 3.647 233 HA ALA 28 HA ALA 28 10.395 -7.677 4.045 234 HB1 ALA 28 1HB ALA 28 9.211 -7.421 6.588 235 HB2 ALA 28 2HB ALA 28 10.281 -8.821 6.660 236 HB3 ALA 28 3HB ALA 28 10.913 -7.253 6.159 237 H THR 29 H THR 29 8.247 -9.786 3.324 238 HA THR 29 HA THR 29 9.356 -12.270 4.233 239 HB THR 29 HB THR 29 6.940 -11.915 3.548 240 HG1 THR 29 HG1 THR 29 7.415 -14.014 3.758 241 HG21 THR 29 3HG2 THR 29 7.931 -12.373 0.749 242 HG22 THR 29 1HG2 THR 29 7.656 -10.749 1.375 243 HG23 THR 29 2HG2 THR 29 6.320 -11.897 1.285 244 H PHE 30 H PHE 30 9.766 -10.198 1.452 245 HA PHE 30 HA PHE 30 10.885 -11.905 -0.398 246 HB2 PHE 30 2HB PHE 30 11.876 -9.104 0.158 247 HB3 PHE 30 3HB PHE 30 11.962 -9.980 -1.367 248 HD1 PHE 30 HD1 PHE 30 9.853 -10.474 -2.611 249 HD2 PHE 30 HD2 PHE 30 9.964 -7.873 0.756 250 HE1 PHE 30 HE1 PHE 30 7.689 -9.517 -3.283 251 HE2 PHE 30 HE2 PHE 30 7.799 -6.912 0.090 252 HZ PHE 30 HZ PHE 30 6.658 -7.734 -1.931 Start of MODEL 9 1 H1 TYR 1 H TYR 1 1.863 1.971 -1.059 2 HA TYR 1 HA TYR 1 3.091 1.029 -3.406 3 HB2 TYR 1 2HB TYR 1 3.800 0.448 -1.088 4 HB3 TYR 1 3HB TYR 1 2.374 -0.574 -0.943 5 HD1 TYR 1 HD2 TYR 1 5.206 -0.081 -3.342 6 HD2 TYR 1 HD1 TYR 1 2.706 -2.827 -1.265 7 HE1 TYR 1 HE2 TYR 1 6.458 -1.956 -4.326 8 HE2 TYR 1 HE1 TYR 1 3.951 -4.710 -2.243 9 HH TYR 1 HH TYR 1 6.854 -4.538 -3.499 10 H ALA 2 H ALA 2 2.623 -0.785 -4.706 11 HA ALA 2 HA ALA 2 1.297 -2.119 -5.987 12 HB1 ALA 2 1HB ALA 2 0.921 -3.022 -3.543 13 HB2 ALA 2 2HB ALA 2 -0.710 -2.404 -3.809 14 HB3 ALA 2 3HB ALA 2 -0.039 -3.621 -4.896 15 H GLU 3 H GLU 3 0.887 0.690 -6.132 16 HA GLU 3 HA GLU 3 -2.003 0.830 -6.688 17 HB2 GLU 3 2HB GLU 3 -0.934 2.430 -4.970 18 HB3 GLU 3 3HB GLU 3 -0.217 3.228 -6.362 19 HG2 GLU 3 2HG GLU 3 -2.338 3.817 -7.232 20 HG3 GLU 3 3HG GLU 3 -3.172 2.771 -6.085 21 H LYS 4 H LYS 4 -0.429 -0.410 -8.550 22 HA LYS 4 HA LYS 4 0.202 -0.398 -10.739 23 HB2 LYS 4 2HB LYS 4 -1.914 1.747 -10.694 24 HB3 LYS 4 3HB LYS 4 -1.139 1.231 -12.187 25 HG2 LYS 4 2HG LYS 4 -1.911 -1.071 -11.756 26 HG3 LYS 4 3HG LYS 4 -2.754 -0.491 -10.318 27 HD2 LYS 4 2HD LYS 4 -4.340 -0.635 -12.108 28 HD3 LYS 4 3HD LYS 4 -4.031 1.073 -11.784 29 HE2 LYS 4 2HE LYS 4 -2.710 1.308 -13.712 30 HE3 LYS 4 3HE LYS 4 -2.531 -0.435 -13.904 31 HZ1 LYS 4 3HZ LYS 4 -5.215 -0.058 -14.025 32 HZ2 LYS 4 1HZ LYS 4 -4.190 -0.255 -15.357 33 HZ3 LYS 4 2HZ LYS 4 -4.616 1.298 -14.839 34 H VAL 5 H VAL 5 1.955 0.988 -9.071 35 HA VAL 5 HA VAL 5 2.800 3.254 -10.756 36 HB VAL 5 HB VAL 5 2.305 3.825 -8.386 37 HG11 VAL 5 1HG1 VAL 5 3.006 1.689 -7.393 38 HG12 VAL 5 2HG1 VAL 5 4.685 2.076 -7.774 39 HG13 VAL 5 3HG1 VAL 5 3.790 3.068 -6.622 40 HG21 VAL 5 3HG2 VAL 5 5.241 4.110 -8.985 41 HG22 VAL 5 1HG2 VAL 5 3.991 5.031 -9.822 42 HG23 VAL 5 2HG2 VAL 5 4.204 5.213 -8.080 43 H ALA 6 H ALA 6 3.757 0.234 -9.287 44 HA ALA 6 HA ALA 6 6.531 0.475 -10.005 45 HB1 ALA 6 1HB ALA 6 5.679 -2.238 -9.518 46 HB2 ALA 6 2HB ALA 6 6.794 -1.226 -8.599 47 HB3 ALA 6 3HB ALA 6 5.061 -1.144 -8.280 48 H GLN 7 H GLN 7 3.660 -1.033 -11.364 49 HA GLN 7 HA GLN 7 4.918 -2.606 -13.322 50 HB2 GLN 7 2HB GLN 7 2.554 -2.861 -12.677 51 HB3 GLN 7 3HB GLN 7 2.189 -1.308 -13.416 52 HG2 GLN 7 2HG GLN 7 1.574 -3.251 -14.814 53 HG3 GLN 7 3HG GLN 7 2.703 -2.144 -15.593 54 HE21 GLN 7 1HE2 GLN 7 4.098 -3.218 -16.778 55 HE22 GLN 7 2HE2 GLN 7 4.864 -4.708 -16.358 56 H GLU 8 H GLU 8 4.266 0.792 -13.149 57 HA GLU 8 HA GLU 8 4.766 1.196 -15.987 58 HB2 GLU 8 2HB GLU 8 4.157 3.135 -13.751 59 HB3 GLU 8 3HB GLU 8 4.419 3.610 -15.423 60 HG2 GLU 8 2HG GLU 8 2.470 2.472 -16.144 61 HG3 GLU 8 3HG GLU 8 2.281 1.675 -14.584 62 H LYS 9 H LYS 9 6.198 3.386 -16.246 63 HA LYS 9 HA LYS 9 8.337 4.151 -16.389 64 HB2 LYS 9 2HB LYS 9 8.255 3.360 -13.476 65 HB3 LYS 9 3HB LYS 9 9.605 4.221 -14.203 66 HG2 LYS 9 2HG LYS 9 6.807 5.279 -14.367 67 HG3 LYS 9 3HG LYS 9 7.835 5.584 -12.965 68 HD2 LYS 9 2HD LYS 9 8.790 6.162 -15.751 69 HD3 LYS 9 3HD LYS 9 7.803 7.325 -14.863 70 HE2 LYS 9 2HE LYS 9 10.218 6.150 -13.561 71 HE3 LYS 9 3HE LYS 9 10.418 7.433 -14.753 72 HZ1 LYS 9 3HZ LYS 9 9.706 8.954 -13.314 73 HZ2 LYS 9 1HZ LYS 9 9.896 7.783 -12.108 74 HZ3 LYS 9 2HZ LYS 9 8.383 8.020 -12.825 75 H GLY 10 H GLY 10 7.800 1.325 -17.001 76 HA2 GLY 10 2HA GLY 10 9.107 -0.398 -17.810 77 HA3 GLY 10 3HA GLY 10 10.527 0.479 -17.259 78 H PHE 11 H PHE 11 11.279 -1.690 -16.666 79 HA PHE 11 HA PHE 11 10.013 -2.801 -14.273 80 HB2 PHE 11 2HB PHE 11 10.494 -4.424 -15.992 81 HB3 PHE 11 3HB PHE 11 12.166 -3.883 -16.098 82 HD1 PHE 11 HD1 PHE 11 9.713 -5.582 -13.920 83 HD2 PHE 11 HD2 PHE 11 13.819 -4.750 -14.667 84 HE1 PHE 11 HE1 PHE 11 10.355 -7.260 -12.239 85 HE2 PHE 11 HE2 PHE 11 14.468 -6.427 -12.988 86 HZ PHE 11 HZ PHE 11 12.735 -7.685 -11.772 87 H LEU 12 H LEU 12 13.052 -1.424 -15.405 88 HA LEU 12 HA LEU 12 14.653 -1.883 -13.187 89 HB2 LEU 12 2HB LEU 12 14.571 0.364 -15.175 90 HB3 LEU 12 3HB LEU 12 15.772 0.309 -13.887 91 HG LEU 12 HG LEU 12 16.311 -2.047 -14.867 92 HD11 LEU 12 1HD1 LEU 12 14.793 -2.501 -16.500 93 HD12 LEU 12 2HD1 LEU 12 16.022 -1.698 -17.476 94 HD13 LEU 12 3HD1 LEU 12 14.596 -0.806 -16.947 95 HD21 LEU 12 3HD2 LEU 12 18.168 -1.064 -15.628 96 HD22 LEU 12 1HD2 LEU 12 17.429 0.447 -15.098 97 HD23 LEU 12 2HD2 LEU 12 17.277 -0.066 -16.778 98 H TYR 13 H TYR 13 12.031 0.347 -13.614 99 HA TYR 13 HA TYR 13 12.560 2.253 -11.677 100 HB2 TYR 13 2HB TYR 13 10.680 2.535 -13.134 101 HB3 TYR 13 3HB TYR 13 9.937 1.046 -12.561 102 HD1 TYR 13 HD2 TYR 13 8.860 0.962 -10.357 103 HD2 TYR 13 HD1 TYR 13 10.501 4.582 -11.877 104 HE1 TYR 13 HE2 TYR 13 7.606 2.233 -8.666 105 HE2 TYR 13 HE1 TYR 13 9.251 5.863 -10.189 106 HH TYR 13 HH TYR 13 7.673 5.772 -8.605 107 H ARG 14 H ARG 14 11.070 -0.940 -11.314 108 HA ARG 14 HA ARG 14 10.371 -0.772 -8.620 109 HB2 ARG 14 2HB ARG 14 11.344 -3.252 -10.045 110 HB3 ARG 14 3HB ARG 14 10.305 -3.185 -8.628 111 HG2 ARG 14 2HG ARG 14 8.697 -1.864 -10.159 112 HG3 ARG 14 3HG ARG 14 9.657 -2.547 -11.473 113 HD2 ARG 14 2HD ARG 14 7.965 -4.106 -11.231 114 HD3 ARG 14 3HD ARG 14 9.261 -4.800 -10.258 115 HE ARG 14 HE ARG 14 7.544 -3.150 -8.698 116 HH11 ARG 14 1HH1 ARG 14 7.812 -6.296 -10.164 117 HH12 ARG 14 2HH1 ARG 14 6.751 -7.060 -9.028 118 HH21 ARG 14 1HH2 ARG 14 6.145 -4.144 -7.196 119 HH22 ARG 14 2HH2 ARG 14 5.803 -5.835 -7.340 120 H LEU 15 H LEU 15 13.454 -1.425 -10.145 121 HA LEU 15 HA LEU 15 14.771 -2.319 -7.774 122 HB2 LEU 15 2HB LEU 15 16.100 -1.121 -10.187 123 HB3 LEU 15 3HB LEU 15 16.766 -2.282 -9.041 124 HG LEU 15 HG LEU 15 14.550 -2.875 -11.002 125 HD11 LEU 15 1HD1 LEU 15 17.463 -3.641 -11.115 126 HD12 LEU 15 2HD1 LEU 15 16.691 -2.413 -12.118 127 HD13 LEU 15 3HD1 LEU 15 16.208 -4.103 -12.265 128 HD21 LEU 15 3HD2 LEU 15 14.365 -4.311 -9.116 129 HD22 LEU 15 1HD2 LEU 15 16.107 -4.581 -9.070 130 HD23 LEU 15 2HD2 LEU 15 15.148 -5.238 -10.397 131 H THR 16 H THR 16 14.044 -0.601 -6.335 132 HA THR 16 HA THR 16 15.930 1.638 -6.363 133 HB THR 16 HB THR 16 14.035 3.137 -5.536 134 HG1 THR 16 HG1 THR 16 12.352 1.353 -6.947 135 HG21 THR 16 3HG2 THR 16 14.310 2.158 -8.357 136 HG22 THR 16 1HG2 THR 16 14.867 3.673 -7.647 137 HG23 THR 16 2HG2 THR 16 13.148 3.420 -7.951 138 H SER 17 H SER 17 15.975 2.786 -4.239 139 HA SER 17 HA SER 17 16.378 0.965 -2.143 140 HB2 SER 17 2HB SER 17 17.367 3.329 -2.471 141 HB3 SER 17 3HB SER 17 15.893 3.903 -1.692 142 HG SER 17 HG SER 17 17.776 3.456 -0.296 143 H ARG 18 H ARG 18 13.780 3.345 -2.646 144 HA ARG 18 HA ARG 18 12.309 2.893 -0.355 145 HB2 ARG 18 2HB ARG 18 11.619 3.800 -3.113 146 HB3 ARG 18 3HB ARG 18 10.305 3.415 -2.010 147 HG2 ARG 18 2HG ARG 18 10.607 5.692 -1.719 148 HG3 ARG 18 3HG ARG 18 11.499 4.990 -0.368 149 HD2 ARG 18 2HD ARG 18 13.571 5.410 -1.367 150 HD3 ARG 18 3HD ARG 18 12.856 5.629 -2.964 151 HE ARG 18 HE ARG 18 11.949 7.584 -1.089 152 HH11 ARG 18 1HH1 ARG 18 14.565 6.727 -3.220 153 HH12 ARG 18 2HH1 ARG 18 15.099 8.361 -3.434 154 HH21 ARG 18 1HH2 ARG 18 12.643 9.739 -1.362 155 HH22 ARG 18 2HH2 ARG 18 14.006 10.074 -2.376 156 H TYR 19 H TYR 19 11.937 1.268 -3.504 157 HA TYR 19 HA TYR 19 9.892 -0.480 -2.772 158 HB2 TYR 19 2HB TYR 19 10.440 -0.218 -5.088 159 HB3 TYR 19 3HB TYR 19 12.093 -0.760 -4.821 160 HD1 TYR 19 HD1 TYR 19 8.559 -1.921 -4.656 161 HD2 TYR 19 HD2 TYR 19 12.648 -3.010 -5.100 162 HE1 TYR 19 HE1 TYR 19 7.882 -4.225 -5.187 163 HE2 TYR 19 HE2 TYR 19 11.982 -5.317 -5.633 164 HH TYR 19 HH TYR 19 10.292 -6.712 -5.978 165 H ARG 20 H ARG 20 13.402 -0.835 -2.527 166 HA ARG 20 HA ARG 20 13.380 -3.519 -1.628 167 HB2 ARG 20 2HB ARG 20 15.410 -1.303 -1.468 168 HB3 ARG 20 3HB ARG 20 15.707 -2.877 -0.744 169 HG2 ARG 20 2HG ARG 20 15.887 -3.932 -2.767 170 HG3 ARG 20 3HG ARG 20 14.864 -2.754 -3.593 171 HD2 ARG 20 2HD ARG 20 16.949 -2.221 -4.418 172 HD3 ARG 20 3HD ARG 20 16.807 -1.105 -3.061 173 HE ARG 20 HE ARG 20 18.020 -3.313 -2.009 174 HH11 ARG 20 1HH1 ARG 20 18.692 -1.158 -4.660 175 HH12 ARG 20 2HH1 ARG 20 20.410 -1.349 -4.551 176 HH21 ARG 20 1HH2 ARG 20 20.281 -3.573 -1.855 177 HH22 ARG 20 2HH2 ARG 20 21.313 -2.724 -2.956 178 H HIS 21 H HIS 21 12.881 -0.476 -0.046 179 HA HIS 21 HA HIS 21 13.308 -1.507 2.615 180 HB2 HIS 21 2HB HIS 21 12.445 1.115 1.459 181 HB3 HIS 21 3HB HIS 21 12.130 0.784 3.160 182 HD1 HIS 21 HD1 HIS 21 14.619 -0.423 4.186 183 HD2 HIS 21 HD2 HIS 21 14.682 2.612 1.350 184 HE1 HIS 21 HE1 HIS 21 16.898 0.624 4.373 185 H TYR 22 H TYR 22 10.483 -0.368 0.767 186 HA TYR 22 HA TYR 22 8.539 -0.972 2.672 187 HB2 TYR 22 2HB TYR 22 8.320 -0.968 -0.345 188 HB3 TYR 22 3HB TYR 22 6.950 -0.996 0.759 189 HD1 TYR 22 HD2 TYR 22 7.647 0.943 2.791 190 HD2 TYR 22 HD1 TYR 22 8.330 1.089 -1.406 191 HE1 TYR 22 HE2 TYR 22 7.669 3.401 2.886 192 HE2 TYR 22 HE1 TYR 22 8.355 3.547 -1.322 193 HH TYR 22 HH TYR 22 7.707 5.351 0.005 194 H ALA 23 H ALA 23 10.264 -3.022 0.463 195 HA ALA 23 HA ALA 23 8.463 -5.251 0.683 196 HB1 ALA 23 1HB ALA 23 9.642 -5.259 -1.314 197 HB2 ALA 23 2HB ALA 23 11.169 -4.848 -0.531 198 HB3 ALA 23 3HB ALA 23 10.494 -6.468 -0.352 199 H ALA 24 H ALA 24 10.912 -3.936 2.632 200 HA ALA 24 HA ALA 24 11.612 -6.448 3.912 201 HB1 ALA 24 1HB ALA 24 13.230 -4.527 3.500 202 HB2 ALA 24 2HB ALA 24 12.424 -3.709 4.839 203 HB3 ALA 24 3HB ALA 24 13.239 -5.250 5.109 204 H PHE 25 H PHE 25 9.501 -3.731 4.412 205 HA PHE 25 HA PHE 25 8.836 -4.683 7.108 206 HB2 PHE 25 2HB PHE 25 7.888 -2.128 5.811 207 HB3 PHE 25 3HB PHE 25 7.860 -2.545 7.522 208 HD1 PHE 25 HD1 PHE 25 10.179 -2.982 8.618 209 HD2 PHE 25 HD2 PHE 25 9.610 -0.842 4.983 210 HE1 PHE 25 HE1 PHE 25 12.367 -1.898 8.918 211 HE2 PHE 25 HE2 PHE 25 11.798 0.244 5.277 212 HZ PHE 25 HZ PHE 25 13.180 -0.284 7.246 213 H GLU 26 H GLU 26 7.197 -3.526 4.160 214 HA GLU 26 HA GLU 26 4.657 -4.551 4.954 215 HB2 GLU 26 2HB GLU 26 5.443 -3.894 2.124 216 HB3 GLU 26 3HB GLU 26 3.854 -3.786 2.869 217 HG2 GLU 26 2HG GLU 26 6.201 -1.958 3.178 218 HG3 GLU 26 3HG GLU 26 4.553 -1.578 2.679 219 H ARG 27 H ARG 27 7.204 -5.665 2.766 220 HA ARG 27 HA ARG 27 5.748 -8.196 2.422 221 HB2 ARG 27 2HB ARG 27 8.109 -7.214 0.817 222 HB3 ARG 27 3HB ARG 27 7.052 -8.568 0.441 223 HG2 ARG 27 2HG ARG 27 5.200 -6.706 0.449 224 HG3 ARG 27 3HG ARG 27 6.579 -5.649 0.141 225 HD2 ARG 27 2HD ARG 27 5.631 -7.984 -1.505 226 HD3 ARG 27 3HD ARG 27 5.693 -6.285 -1.973 227 HE ARG 27 HE ARG 27 8.283 -6.937 -1.402 228 HH11 ARG 27 1HH1 ARG 27 5.837 -8.185 -3.543 229 HH12 ARG 27 2HH1 ARG 27 6.972 -8.732 -4.732 230 HH21 ARG 27 1HH2 ARG 27 9.787 -7.654 -2.960 231 HH22 ARG 27 2HH2 ARG 27 9.219 -8.431 -4.399 232 H ALA 28 H ALA 28 7.174 -7.583 4.835 233 HA ALA 28 HA ALA 28 9.747 -8.557 5.034 234 HB1 ALA 28 1HB ALA 28 9.104 -9.200 7.385 235 HB2 ALA 28 2HB ALA 28 8.766 -7.530 6.930 236 HB3 ALA 28 3HB ALA 28 7.458 -8.711 6.981 237 H THR 29 H THR 29 6.818 -10.468 5.758 238 HA THR 29 HA THR 29 8.240 -12.942 5.684 239 HB THR 29 HB THR 29 6.149 -12.525 7.026 240 HG1 THR 29 HG1 THR 29 6.944 -14.659 6.542 241 HG21 THR 29 3HG2 THR 29 4.983 -11.461 4.988 242 HG22 THR 29 1HG2 THR 29 4.031 -12.512 6.035 243 HG23 THR 29 2HG2 THR 29 4.644 -13.120 4.497 244 H PHE 30 H PHE 30 6.331 -11.110 3.386 245 HA PHE 30 HA PHE 30 7.020 -13.098 1.327 246 HB2 PHE 30 2HB PHE 30 4.900 -13.049 0.385 247 HB3 PHE 30 3HB PHE 30 4.527 -12.956 2.103 248 HD1 PHE 30 HD2 PHE 30 4.571 -10.394 2.991 249 HD2 PHE 30 HD1 PHE 30 3.691 -11.668 -0.974 250 HE1 PHE 30 HE2 PHE 30 3.312 -8.315 2.605 251 HE2 PHE 30 HE1 PHE 30 2.431 -9.591 -1.366 252 HZ PHE 30 HZ PHE 30 2.240 -7.912 0.425 Start of MODEL 10 1 H1 TYR 1 H TYR 1 1.359 -2.973 -1.387 2 HA TYR 1 HA TYR 1 0.417 -0.605 -2.234 3 HB2 TYR 1 2HB TYR 1 2.419 0.439 -1.462 4 HB3 TYR 1 3HB TYR 1 2.180 -0.994 -0.469 5 HD1 TYR 1 HD1 TYR 1 4.220 0.520 -3.122 6 HD2 TYR 1 HD2 TYR 1 3.711 -2.854 -0.581 7 HE1 TYR 1 HE1 TYR 1 6.487 -0.244 -3.693 8 HE2 TYR 1 HE2 TYR 1 5.977 -3.627 -1.143 9 HH TYR 1 HH TYR 1 7.713 -3.351 -2.578 10 H ALA 2 H ALA 2 2.491 -2.708 -4.045 11 HA ALA 2 HA ALA 2 2.794 -0.670 -6.144 12 HB1 ALA 2 1HB ALA 2 4.531 -2.737 -5.121 13 HB2 ALA 2 2HB ALA 2 4.322 -2.878 -6.867 14 HB3 ALA 2 3HB ALA 2 4.905 -1.368 -6.168 15 H GLU 3 H GLU 3 0.737 -0.867 -7.064 16 HA GLU 3 HA GLU 3 0.037 -3.484 -8.191 17 HB2 GLU 3 2HB GLU 3 -1.606 -2.089 -6.792 18 HB3 GLU 3 3HB GLU 3 -1.719 -1.039 -8.197 19 HG2 GLU 3 2HG GLU 3 -3.523 -2.474 -8.430 20 HG3 GLU 3 3HG GLU 3 -2.303 -3.160 -9.501 21 H LYS 4 H LYS 4 -0.226 -0.077 -9.221 22 HA LYS 4 HA LYS 4 0.339 -0.952 -11.970 23 HB2 LYS 4 2HB LYS 4 -1.251 1.287 -10.802 24 HB3 LYS 4 3HB LYS 4 -0.505 1.529 -12.376 25 HG2 LYS 4 2HG LYS 4 -2.519 0.718 -13.037 26 HG3 LYS 4 3HG LYS 4 -1.641 -0.804 -12.875 27 HD2 LYS 4 2HD LYS 4 -3.513 -1.328 -11.680 28 HD3 LYS 4 3HD LYS 4 -2.537 -0.628 -10.386 29 HE2 LYS 4 2HE LYS 4 -4.290 1.167 -11.990 30 HE3 LYS 4 3HE LYS 4 -5.034 0.119 -10.783 31 HZ1 LYS 4 3HZ LYS 4 -4.571 1.859 -9.452 32 HZ2 LYS 4 1HZ LYS 4 -3.308 2.431 -10.423 33 HZ3 LYS 4 2HZ LYS 4 -3.042 1.139 -9.364 34 H VAL 5 H VAL 5 1.398 1.154 -9.397 35 HA VAL 5 HA VAL 5 3.148 2.813 -10.814 36 HB VAL 5 HB VAL 5 2.529 3.234 -8.480 37 HG11 VAL 5 1HG1 VAL 5 3.202 0.568 -8.095 38 HG12 VAL 5 2HG1 VAL 5 4.456 1.468 -7.239 39 HG13 VAL 5 3HG1 VAL 5 2.756 1.734 -6.850 40 HG21 VAL 5 3HG2 VAL 5 4.916 3.758 -9.656 41 HG22 VAL 5 1HG2 VAL 5 4.423 4.378 -8.080 42 HG23 VAL 5 2HG2 VAL 5 5.438 2.939 -8.183 43 H ALA 6 H ALA 6 3.439 -0.501 -9.828 44 HA ALA 6 HA ALA 6 6.218 -0.811 -9.865 45 HB1 ALA 6 1HB ALA 6 5.558 -3.227 -10.600 46 HB2 ALA 6 2HB ALA 6 5.118 -2.637 -8.997 47 HB3 ALA 6 3HB ALA 6 3.916 -2.663 -10.287 48 H GLN 7 H GLN 7 4.010 -1.869 -12.461 49 HA GLN 7 HA GLN 7 6.021 -2.137 -14.397 50 HB2 GLN 7 2HB GLN 7 4.214 -2.302 -16.018 51 HB3 GLN 7 3HB GLN 7 3.813 -3.212 -14.567 52 HG2 GLN 7 2HG GLN 7 1.834 -2.149 -14.993 53 HG3 GLN 7 3HG GLN 7 2.591 -1.024 -13.867 54 HE21 GLN 7 1HE2 GLN 7 0.851 0.288 -15.026 55 HE22 GLN 7 2HE2 GLN 7 1.374 1.179 -16.411 56 H GLU 8 H GLU 8 4.171 0.614 -13.342 57 HA GLU 8 HA GLU 8 4.451 2.313 -15.529 58 HB2 GLU 8 2HB GLU 8 4.128 2.738 -12.589 59 HB3 GLU 8 3HB GLU 8 4.507 4.120 -13.607 60 HG2 GLU 8 2HG GLU 8 2.206 2.284 -14.181 61 HG3 GLU 8 3HG GLU 8 2.063 3.687 -13.124 62 H LYS 9 H LYS 9 5.923 4.035 -15.944 63 HA LYS 9 HA LYS 9 8.013 4.854 -16.323 64 HB2 LYS 9 2HB LYS 9 7.557 5.330 -13.793 65 HB3 LYS 9 3HB LYS 9 8.779 4.093 -13.526 66 HG2 LYS 9 2HG LYS 9 10.062 5.983 -13.498 67 HG3 LYS 9 3HG LYS 9 10.176 5.536 -15.202 68 HD2 LYS 9 2HD LYS 9 9.715 7.825 -15.252 69 HD3 LYS 9 3HD LYS 9 8.143 7.073 -15.531 70 HE2 LYS 9 2HE LYS 9 7.996 7.234 -12.899 71 HE3 LYS 9 3HE LYS 9 9.165 8.530 -13.145 72 HZ1 LYS 9 3HZ LYS 9 7.309 9.091 -15.002 73 HZ2 LYS 9 1HZ LYS 9 7.351 9.776 -13.456 74 HZ3 LYS 9 2HZ LYS 9 6.348 8.451 -13.766 75 H GLY 10 H GLY 10 7.537 2.020 -16.834 76 HA2 GLY 10 2HA GLY 10 8.853 0.342 -17.735 77 HA3 GLY 10 3HA GLY 10 10.277 1.241 -17.232 78 H PHE 11 H PHE 11 10.648 -1.279 -16.908 79 HA PHE 11 HA PHE 11 9.641 -2.278 -14.394 80 HB2 PHE 11 2HB PHE 11 10.008 -3.869 -16.176 81 HB3 PHE 11 3HB PHE 11 11.690 -3.372 -16.329 82 HD1 PHE 11 HD1 PHE 11 13.347 -4.068 -14.704 83 HD2 PHE 11 HD2 PHE 11 9.287 -5.303 -14.380 84 HE1 PHE 11 HE1 PHE 11 14.007 -5.802 -13.087 85 HE2 PHE 11 HE2 PHE 11 9.940 -7.038 -12.762 86 HZ PHE 11 HZ PHE 11 12.302 -7.289 -12.113 87 H LEU 12 H LEU 12 12.592 -0.831 -15.619 88 HA LEU 12 HA LEU 12 14.346 -1.407 -13.547 89 HB2 LEU 12 2HB LEU 12 14.188 1.181 -15.081 90 HB3 LEU 12 3HB LEU 12 15.596 0.544 -14.235 91 HG LEU 12 HG LEU 12 14.346 -0.913 -16.546 92 HD11 LEU 12 1HD1 LEU 12 15.851 0.164 -18.049 93 HD12 LEU 12 2HD1 LEU 12 16.613 1.060 -16.735 94 HD13 LEU 12 3HD1 LEU 12 14.950 1.420 -17.200 95 HD21 LEU 12 3HD2 LEU 12 16.852 -1.093 -14.953 96 HD22 LEU 12 1HD2 LEU 12 16.907 -1.531 -16.661 97 HD23 LEU 12 2HD2 LEU 12 15.808 -2.374 -15.569 98 H TYR 13 H TYR 13 11.669 0.796 -13.650 99 HA TYR 13 HA TYR 13 12.282 2.598 -11.652 100 HB2 TYR 13 2HB TYR 13 10.272 2.878 -12.924 101 HB3 TYR 13 3HB TYR 13 9.639 1.329 -12.379 102 HD1 TYR 13 HD1 TYR 13 10.328 4.808 -11.392 103 HD2 TYR 13 HD2 TYR 13 8.555 1.113 -10.249 104 HE1 TYR 13 HE1 TYR 13 9.182 5.940 -9.533 105 HE2 TYR 13 HE2 TYR 13 7.403 2.235 -8.388 106 HH TYR 13 HH TYR 13 8.121 4.728 -7.016 107 H ARG 14 H ARG 14 10.891 -0.650 -11.329 108 HA ARG 14 HA ARG 14 10.506 -0.613 -8.554 109 HB2 ARG 14 2HB ARG 14 11.038 -2.892 -10.460 110 HB3 ARG 14 3HB ARG 14 10.649 -3.131 -8.762 111 HG2 ARG 14 2HG ARG 14 8.497 -2.078 -9.067 112 HG3 ARG 14 3HG ARG 14 8.889 -1.710 -10.748 113 HD2 ARG 14 2HD ARG 14 7.517 -3.640 -10.783 114 HD3 ARG 14 3HD ARG 14 9.161 -4.187 -11.108 115 HE ARG 14 HE ARG 14 8.470 -4.320 -8.332 116 HH11 ARG 14 1HH1 ARG 14 8.245 -5.965 -11.392 117 HH12 ARG 14 2HH1 ARG 14 8.082 -7.538 -10.683 118 HH21 ARG 14 1HH2 ARG 14 8.256 -6.385 -7.386 119 HH22 ARG 14 2HH2 ARG 14 8.087 -7.775 -8.404 120 H LEU 15 H LEU 15 13.357 -1.165 -10.489 121 HA LEU 15 HA LEU 15 14.932 -2.250 -8.352 122 HB2 LEU 15 2HB LEU 15 15.905 -1.003 -10.914 123 HB3 LEU 15 3HB LEU 15 16.778 -2.124 -9.871 124 HG LEU 15 HG LEU 15 14.377 -2.761 -11.583 125 HD11 LEU 15 1HD1 LEU 15 15.911 -4.133 -12.848 126 HD12 LEU 15 2HD1 LEU 15 17.238 -3.691 -11.774 127 HD13 LEU 15 3HD1 LEU 15 16.495 -2.469 -12.805 128 HD21 LEU 15 3HD2 LEU 15 14.311 -4.025 -9.505 129 HD22 LEU 15 1HD2 LEU 15 15.983 -4.533 -9.744 130 HD23 LEU 15 2HD2 LEU 15 14.729 -5.076 -10.859 131 H THR 16 H THR 16 14.170 -0.383 -6.923 132 HA THR 16 HA THR 16 16.182 1.763 -7.068 133 HB THR 16 HB THR 16 14.463 3.243 -5.933 134 HG1 THR 16 HG1 THR 16 12.523 2.461 -5.608 135 HG21 THR 16 3HG2 THR 16 13.097 3.377 -8.221 136 HG22 THR 16 1HG2 THR 16 14.421 2.346 -8.761 137 HG23 THR 16 2HG2 THR 16 14.763 3.938 -8.083 138 H SER 17 H SER 17 16.012 2.995 -4.774 139 HA SER 17 HA SER 17 16.807 0.985 -2.850 140 HB2 SER 17 2HB SER 17 17.891 3.340 -3.345 141 HB3 SER 17 3HB SER 17 16.690 3.899 -2.181 142 HG SER 17 HG SER 17 17.954 3.173 -0.685 143 H ARG 18 H ARG 18 14.111 3.095 -3.436 144 HA ARG 18 HA ARG 18 12.997 2.890 -0.802 145 HB2 ARG 18 2HB ARG 18 11.505 3.640 -3.312 146 HB3 ARG 18 3HB ARG 18 11.143 4.107 -1.656 147 HG2 ARG 18 2HG ARG 18 13.488 5.020 -3.308 148 HG3 ARG 18 3HG ARG 18 12.077 5.976 -2.849 149 HD2 ARG 18 2HD ARG 18 12.704 5.675 -0.472 150 HD3 ARG 18 3HD ARG 18 14.159 4.828 -0.994 151 HE ARG 18 HE ARG 18 14.070 7.332 -2.252 152 HH11 ARG 18 1HH1 ARG 18 14.502 5.944 0.911 153 HH12 ARG 18 2HH1 ARG 18 15.490 7.244 1.490 154 HH21 ARG 18 1HH2 ARG 18 15.370 9.050 -1.502 155 HH22 ARG 18 2HH2 ARG 18 15.983 9.011 0.116 156 H TYR 19 H TYR 19 12.488 1.273 -3.899 157 HA TYR 19 HA TYR 19 10.197 -0.167 -3.359 158 HB2 TYR 19 2HB TYR 19 11.135 -0.216 -5.562 159 HB3 TYR 19 3HB TYR 19 12.633 -0.930 -4.974 160 HD1 TYR 19 HD2 TYR 19 8.971 -1.703 -4.853 161 HD2 TYR 19 HD1 TYR 19 12.925 -3.163 -5.440 162 HE1 TYR 19 HE2 TYR 19 8.070 -3.947 -5.301 163 HE2 TYR 19 HE1 TYR 19 12.034 -5.411 -5.891 164 HH TYR 19 HH TYR 19 9.731 -6.660 -5.153 165 H ARG 20 H ARG 20 13.546 -0.957 -2.522 166 HA ARG 20 HA ARG 20 12.971 -3.494 -1.394 167 HB2 ARG 20 2HB ARG 20 15.301 -1.724 -0.662 168 HB3 ARG 20 3HB ARG 20 15.216 -3.479 -0.590 169 HG2 ARG 20 2HG ARG 20 14.914 -3.405 -3.117 170 HG3 ARG 20 3HG ARG 20 15.424 -1.719 -3.008 171 HD2 ARG 20 2HD ARG 20 16.977 -4.180 -2.240 172 HD3 ARG 20 3HD ARG 20 17.360 -3.007 -3.499 173 HE ARG 20 HE ARG 20 17.307 -1.582 -1.147 174 HH11 ARG 20 1HH1 ARG 20 19.081 -4.296 -2.414 175 HH12 ARG 20 2HH1 ARG 20 20.510 -3.959 -1.493 176 HH21 ARG 20 1HH2 ARG 20 19.181 -1.128 0.071 177 HH22 ARG 20 2HH2 ARG 20 20.565 -2.157 -0.079 178 H HIS 21 H HIS 21 13.097 -0.230 -0.096 179 HA HIS 21 HA HIS 21 12.957 -0.952 2.642 180 HB2 HIS 21 2HB HIS 21 13.490 1.353 1.407 181 HB3 HIS 21 3HB HIS 21 11.780 1.626 1.727 182 HD1 HIS 21 HD1 HIS 21 11.135 1.183 4.393 183 HD2 HIS 21 HD2 HIS 21 15.079 2.095 3.461 184 HE1 HIS 21 HE1 HIS 21 12.169 1.971 6.546 185 H TYR 22 H TYR 22 10.586 -0.616 0.127 186 HA TYR 22 HA TYR 22 8.342 -0.547 1.947 187 HB2 TYR 22 2HB TYR 22 8.432 -0.895 -1.057 188 HB3 TYR 22 3HB TYR 22 6.972 -0.648 -0.104 189 HD1 TYR 22 HD1 TYR 22 7.694 1.473 1.733 190 HD2 TYR 22 HD2 TYR 22 8.739 0.991 -2.364 191 HE1 TYR 22 HE1 TYR 22 7.966 3.909 1.522 192 HE2 TYR 22 HE2 TYR 22 9.014 3.425 -2.586 193 HH TYR 22 HH TYR 22 8.419 5.446 -1.556 194 H ALA 23 H ALA 23 9.965 -2.900 -0.110 195 HA ALA 23 HA ALA 23 8.044 -4.980 0.410 196 HB1 ALA 23 1HB ALA 23 10.741 -4.992 -0.927 197 HB2 ALA 23 2HB ALA 23 9.731 -6.427 -0.752 198 HB3 ALA 23 3HB ALA 23 9.153 -5.052 -1.693 199 H ALA 24 H ALA 24 10.953 -3.816 1.875 200 HA ALA 24 HA ALA 24 11.514 -6.223 3.350 201 HB1 ALA 24 1HB ALA 24 13.273 -4.983 4.395 202 HB2 ALA 24 2HB ALA 24 13.262 -4.579 2.678 203 HB3 ALA 24 3HB ALA 24 12.584 -3.452 3.853 204 H PHE 25 H PHE 25 9.517 -3.446 3.767 205 HA PHE 25 HA PHE 25 9.128 -4.070 6.611 206 HB2 PHE 25 2HB PHE 25 8.566 -1.608 4.970 207 HB3 PHE 25 3HB PHE 25 7.849 -1.840 6.561 208 HD1 PHE 25 HD2 PHE 25 11.218 -2.152 4.979 209 HD2 PHE 25 HD1 PHE 25 8.917 -0.805 8.296 210 HE1 PHE 25 HE2 PHE 25 13.256 -1.251 6.022 211 HE2 PHE 25 HE1 PHE 25 10.951 0.099 9.345 212 HZ PHE 25 HZ PHE 25 13.124 -0.125 8.209 213 H GLU 26 H GLU 26 7.236 -3.219 3.713 214 HA GLU 26 HA GLU 26 4.762 -4.063 4.857 215 HB2 GLU 26 2HB GLU 26 5.370 -3.701 1.923 216 HB3 GLU 26 3HB GLU 26 3.799 -3.616 2.708 217 HG2 GLU 26 2HG GLU 26 6.071 -1.682 3.099 218 HG3 GLU 26 3HG GLU 26 4.629 -1.406 2.124 219 H ARG 27 H ARG 27 7.083 -5.513 2.619 220 HA ARG 27 HA ARG 27 5.539 -8.014 2.688 221 HB2 ARG 27 2HB ARG 27 7.520 -6.874 0.743 222 HB3 ARG 27 3HB ARG 27 7.229 -8.608 0.796 223 HG2 ARG 27 2HG ARG 27 5.142 -8.428 -0.080 224 HG3 ARG 27 3HG ARG 27 4.864 -6.833 0.623 225 HD2 ARG 27 2HD ARG 27 5.437 -5.865 -1.291 226 HD3 ARG 27 3HD ARG 27 7.013 -6.652 -1.239 227 HE ARG 27 HE ARG 27 4.788 -7.370 -2.879 228 HH11 ARG 27 1HH1 ARG 27 7.581 -8.622 -1.220 229 HH12 ARG 27 2HH1 ARG 27 7.761 -9.984 -2.277 230 HH21 ARG 27 1HH2 ARG 27 5.014 -9.158 -4.277 231 HH22 ARG 27 2HH2 ARG 27 6.300 -10.287 -4.016 232 H ALA 28 H ALA 28 7.283 -7.035 4.847 233 HA ALA 28 HA ALA 28 9.778 -8.199 4.965 234 HB1 ALA 28 1HB ALA 28 9.516 -8.211 7.397 235 HB2 ALA 28 2HB ALA 28 8.920 -6.709 6.691 236 HB3 ALA 28 3HB ALA 28 7.782 -7.951 7.212 237 H THR 29 H THR 29 6.928 -9.661 6.531 238 HA THR 29 HA THR 29 8.099 -12.214 6.765 239 HB THR 29 HB THR 29 6.145 -11.341 8.111 240 HG1 THR 29 HG1 THR 29 5.053 -13.542 7.897 241 HG21 THR 29 3HG2 THR 29 3.935 -11.503 7.255 242 HG22 THR 29 1HG2 THR 29 4.489 -12.302 5.784 243 HG23 THR 29 2HG2 THR 29 4.863 -10.600 6.058 244 H PHE 30 H PHE 30 6.187 -10.710 4.251 245 HA PHE 30 HA PHE 30 6.621 -13.087 2.580 246 HB2 PHE 30 2HB PHE 30 4.427 -13.230 1.881 247 HB3 PHE 30 3HB PHE 30 4.198 -12.723 3.551 248 HD1 PHE 30 HD1 PHE 30 4.519 -9.945 3.652 249 HD2 PHE 30 HD2 PHE 30 2.903 -12.270 0.475 250 HE1 PHE 30 HE1 PHE 30 3.232 -7.994 2.884 251 HE2 PHE 30 HE2 PHE 30 1.614 -10.323 -0.300 252 HZ PHE 30 HZ PHE 30 1.778 -8.181 0.905 Start of MODEL 11 1 H1 TYR 1 H TYR 1 0.035 -8.603 -3.572 2 HA TYR 1 HA TYR 1 2.061 -6.699 -4.162 3 HB2 TYR 1 2HB TYR 1 2.455 -8.772 -2.853 4 HB3 TYR 1 3HB TYR 1 2.207 -9.717 -4.317 5 HD1 TYR 1 HD1 TYR 1 4.082 -6.529 -3.894 6 HD2 TYR 1 HD2 TYR 1 4.287 -10.698 -4.717 7 HE1 TYR 1 HE1 TYR 1 6.468 -6.297 -4.442 8 HE2 TYR 1 HE2 TYR 1 6.675 -10.478 -5.266 9 HH TYR 1 HH TYR 1 8.568 -8.257 -4.386 10 H ALA 2 H ALA 2 0.675 -5.988 -6.128 11 HA ALA 2 HA ALA 2 1.411 -7.550 -8.508 12 HB1 ALA 2 1HB ALA 2 -0.512 -5.258 -8.551 13 HB2 ALA 2 2HB ALA 2 -0.413 -6.655 -9.623 14 HB3 ALA 2 3HB ALA 2 -1.022 -6.847 -7.979 15 H GLU 3 H GLU 3 1.367 -5.727 -10.476 16 HA GLU 3 HA GLU 3 3.730 -4.114 -9.877 17 HB2 GLU 3 2HB GLU 3 2.508 -5.202 -12.381 18 HB3 GLU 3 3HB GLU 3 3.571 -3.806 -12.483 19 HG2 GLU 3 2HG GLU 3 5.348 -5.083 -11.390 20 HG3 GLU 3 3HG GLU 3 4.282 -6.485 -11.310 21 H LYS 4 H LYS 4 0.958 -3.380 -9.077 22 HA LYS 4 HA LYS 4 -0.113 -1.358 -10.665 23 HB2 LYS 4 2HB LYS 4 -0.973 -2.486 -8.456 24 HB3 LYS 4 3HB LYS 4 -0.165 -1.131 -7.679 25 HG2 LYS 4 2HG LYS 4 -2.280 -0.298 -7.913 26 HG3 LYS 4 3HG LYS 4 -1.533 0.285 -9.402 27 HD2 LYS 4 2HD LYS 4 -2.865 -2.380 -9.421 28 HD3 LYS 4 3HD LYS 4 -3.874 -0.931 -9.427 29 HE2 LYS 4 2HE LYS 4 -2.311 -0.169 -11.356 30 HE3 LYS 4 3HE LYS 4 -1.902 -1.880 -11.471 31 HZ1 LYS 4 3HZ LYS 4 -3.654 -1.689 -12.927 32 HZ2 LYS 4 1HZ LYS 4 -4.478 -0.552 -11.983 33 HZ3 LYS 4 2HZ LYS 4 -4.454 -2.179 -11.519 34 H VAL 5 H VAL 5 2.308 -1.156 -8.076 35 HA VAL 5 HA VAL 5 2.681 1.683 -8.510 36 HB VAL 5 HB VAL 5 2.850 0.872 -6.237 37 HG11 VAL 5 1HG1 VAL 5 5.269 -0.497 -6.099 38 HG12 VAL 5 2HG1 VAL 5 3.653 -1.174 -5.889 39 HG13 VAL 5 3HG1 VAL 5 4.426 -1.208 -7.475 40 HG21 VAL 5 3HG2 VAL 5 4.481 2.661 -7.308 41 HG22 VAL 5 1HG2 VAL 5 4.632 2.161 -5.623 42 HG23 VAL 5 2HG2 VAL 5 5.697 1.470 -6.847 43 H ALA 6 H ALA 6 4.071 -1.281 -9.585 44 HA ALA 6 HA ALA 6 6.498 0.037 -10.540 45 HB1 ALA 6 1HB ALA 6 7.322 -2.158 -11.052 46 HB2 ALA 6 2HB ALA 6 6.641 -2.178 -9.425 47 HB3 ALA 6 3HB ALA 6 5.732 -2.868 -10.769 48 H GLN 7 H GLN 7 3.754 0.513 -11.647 49 HA GLN 7 HA GLN 7 3.973 -0.584 -14.339 50 HB2 GLN 7 2HB GLN 7 1.767 -0.640 -13.395 51 HB3 GLN 7 3HB GLN 7 1.843 1.066 -12.978 52 HG2 GLN 7 2HG GLN 7 0.442 0.785 -14.898 53 HG3 GLN 7 3HG GLN 7 1.920 1.617 -15.379 54 HE21 GLN 7 1HE2 GLN 7 1.814 1.025 -17.510 55 HE22 GLN 7 2HE2 GLN 7 2.042 -0.598 -18.053 56 H GLU 8 H GLU 8 4.528 2.355 -12.596 57 HA GLU 8 HA GLU 8 4.679 3.974 -15.002 58 HB2 GLU 8 2HB GLU 8 5.289 4.659 -12.121 59 HB3 GLU 8 3HB GLU 8 5.266 5.806 -13.453 60 HG2 GLU 8 2HG GLU 8 2.886 5.310 -13.812 61 HG3 GLU 8 3HG GLU 8 2.923 4.219 -12.428 62 H LYS 9 H LYS 9 6.527 4.766 -15.925 63 HA LYS 9 HA LYS 9 8.705 4.796 -16.580 64 HB2 LYS 9 2HB LYS 9 8.930 4.708 -13.594 65 HB3 LYS 9 3HB LYS 9 10.383 4.602 -14.579 66 HG2 LYS 9 2HG LYS 9 8.420 6.810 -15.024 67 HG3 LYS 9 3HG LYS 9 9.598 6.905 -13.712 68 HD2 LYS 9 2HD LYS 9 10.514 6.213 -16.470 69 HD3 LYS 9 3HD LYS 9 10.161 7.895 -16.067 70 HE2 LYS 9 2HE LYS 9 11.674 7.426 -13.999 71 HE3 LYS 9 3HE LYS 9 12.269 6.080 -14.970 72 HZ1 LYS 9 3HZ LYS 9 12.594 8.955 -15.382 73 HZ2 LYS 9 1HZ LYS 9 12.467 7.980 -16.759 74 HZ3 LYS 9 2HZ LYS 9 13.696 7.696 -15.632 75 H GLY 10 H GLY 10 7.221 2.209 -16.300 76 HA2 GLY 10 2HA GLY 10 7.711 0.030 -16.872 77 HA3 GLY 10 3HA GLY 10 9.401 0.496 -16.998 78 H PHE 11 H PHE 11 9.572 -1.740 -16.049 79 HA PHE 11 HA PHE 11 8.900 -2.044 -13.270 80 HB2 PHE 11 2HB PHE 11 8.868 -4.027 -14.607 81 HB3 PHE 11 3HB PHE 11 10.503 -3.734 -15.191 82 HD1 PHE 11 HD1 PHE 11 12.428 -4.198 -13.793 83 HD2 PHE 11 HD2 PHE 11 8.471 -4.958 -12.422 84 HE1 PHE 11 HE1 PHE 11 13.329 -5.582 -11.969 85 HE2 PHE 11 HE2 PHE 11 9.366 -6.343 -10.596 86 HZ PHE 11 HZ PHE 11 11.798 -6.656 -10.367 87 H LEU 12 H LEU 12 11.672 -1.038 -15.114 88 HA LEU 12 HA LEU 12 13.751 -1.430 -13.345 89 HB2 LEU 12 2HB LEU 12 13.349 1.029 -15.038 90 HB3 LEU 12 3HB LEU 12 14.879 0.400 -14.432 91 HG LEU 12 HG LEU 12 13.261 -1.350 -16.211 92 HD11 LEU 12 1HD1 LEU 12 14.982 0.118 -17.876 93 HD12 LEU 12 2HD1 LEU 12 14.050 1.299 -16.956 94 HD13 LEU 12 3HD1 LEU 12 13.219 0.071 -17.910 95 HD21 LEU 12 3HD2 LEU 12 16.127 -0.911 -15.508 96 HD22 LEU 12 1HD2 LEU 12 15.719 -1.655 -17.054 97 HD23 LEU 12 2HD2 LEU 12 15.192 -2.406 -15.548 98 H TYR 13 H TYR 13 11.355 1.165 -13.390 99 HA TYR 13 HA TYR 13 12.415 2.873 -11.500 100 HB2 TYR 13 2HB TYR 13 10.458 3.556 -12.658 101 HB3 TYR 13 3HB TYR 13 9.554 2.146 -12.118 102 HD1 TYR 13 HD1 TYR 13 8.659 2.036 -9.846 103 HD2 TYR 13 HD2 TYR 13 10.744 5.480 -11.224 104 HE1 TYR 13 HE1 TYR 13 7.779 3.323 -7.943 105 HE2 TYR 13 HE2 TYR 13 9.871 6.775 -9.324 106 HH TYR 13 HH TYR 13 7.763 6.588 -7.783 107 H ARG 14 H ARG 14 10.302 0.065 -10.944 108 HA ARG 14 HA ARG 14 10.041 0.227 -8.201 109 HB2 ARG 14 2HB ARG 14 9.145 -1.503 -10.022 110 HB3 ARG 14 3HB ARG 14 10.468 -2.471 -9.384 111 HG2 ARG 14 2HG ARG 14 9.472 -1.990 -7.081 112 HG3 ARG 14 3HG ARG 14 8.039 -1.452 -7.959 113 HD2 ARG 14 2HD ARG 14 8.460 -3.802 -9.183 114 HD3 ARG 14 3HD ARG 14 9.147 -4.169 -7.601 115 HE ARG 14 HE ARG 14 6.535 -2.957 -7.509 116 HH11 ARG 14 1HH1 ARG 14 8.329 -5.934 -7.711 117 HH12 ARG 14 2HH1 ARG 14 7.042 -6.905 -7.077 118 HH21 ARG 14 1HH2 ARG 14 4.833 -4.225 -6.673 119 HH22 ARG 14 2HH2 ARG 14 5.053 -5.932 -6.488 120 H LEU 15 H LEU 15 12.781 -0.799 -10.096 121 HA LEU 15 HA LEU 15 14.190 -1.997 -7.900 122 HB2 LEU 15 2HB LEU 15 15.255 -1.066 -10.561 123 HB3 LEU 15 3HB LEU 15 16.058 -2.156 -9.432 124 HG LEU 15 HG LEU 15 13.445 -2.827 -10.770 125 HD11 LEU 15 1HD1 LEU 15 15.248 -2.393 -12.435 126 HD12 LEU 15 2HD1 LEU 15 14.653 -4.053 -12.427 127 HD13 LEU 15 3HD1 LEU 15 16.196 -3.666 -11.666 128 HD21 LEU 15 3HD2 LEU 15 15.531 -4.669 -9.635 129 HD22 LEU 15 1HD2 LEU 15 13.857 -5.030 -10.056 130 HD23 LEU 15 2HD2 LEU 15 14.215 -4.014 -8.660 131 H THR 16 H THR 16 13.601 0.156 -6.692 132 HA THR 16 HA THR 16 15.940 1.937 -6.913 133 HB THR 16 HB THR 16 14.388 3.674 -5.813 134 HG1 THR 16 HG1 THR 16 12.132 3.207 -6.646 135 HG21 THR 16 3HG2 THR 16 13.215 3.929 -8.221 136 HG22 THR 16 1HG2 THR 16 14.498 2.792 -8.632 137 HG23 THR 16 2HG2 THR 16 14.899 4.353 -7.916 138 H SER 17 H SER 17 16.697 2.873 -4.924 139 HA SER 17 HA SER 17 17.062 1.082 -2.856 140 HB2 SER 17 2HB SER 17 18.208 3.399 -3.424 141 HB3 SER 17 3HB SER 17 17.070 4.003 -2.219 142 HG SER 17 HG SER 17 19.254 3.210 -1.513 143 H ARG 18 H ARG 18 14.744 3.772 -3.028 144 HA ARG 18 HA ARG 18 13.613 3.537 -0.511 145 HB2 ARG 18 2HB ARG 18 12.566 4.486 -3.153 146 HB3 ARG 18 3HB ARG 18 11.479 4.376 -1.774 147 HG2 ARG 18 2HG ARG 18 12.272 6.603 -1.864 148 HG3 ARG 18 3HG ARG 18 13.089 5.821 -0.509 149 HD2 ARG 18 2HD ARG 18 15.096 5.565 -1.769 150 HD3 ARG 18 3HD ARG 18 14.292 6.062 -3.258 151 HE ARG 18 HE ARG 18 14.040 8.169 -1.482 152 HH11 ARG 18 1HH1 ARG 18 16.612 6.425 -3.052 153 HH12 ARG 18 2HH1 ARG 18 17.688 7.783 -3.084 154 HH21 ARG 18 1HH2 ARG 18 15.448 9.963 -1.518 155 HH22 ARG 18 2HH2 ARG 18 17.025 9.794 -2.211 156 H TYR 19 H TYR 19 12.525 1.993 -3.532 157 HA TYR 19 HA TYR 19 10.377 0.569 -2.543 158 HB2 TYR 19 2HB TYR 19 10.767 0.634 -4.905 159 HB3 TYR 19 3HB TYR 19 12.337 -0.141 -4.729 160 HD1 TYR 19 HD1 TYR 19 8.690 -0.722 -4.326 161 HD2 TYR 19 HD2 TYR 19 12.533 -2.477 -4.825 162 HE1 TYR 19 HE1 TYR 19 7.636 -2.918 -4.669 163 HE2 TYR 19 HE2 TYR 19 11.490 -4.677 -5.171 164 HH TYR 19 HH TYR 19 9.392 -5.824 -4.630 165 H ARG 20 H ARG 20 13.795 -0.374 -2.616 166 HA ARG 20 HA ARG 20 13.600 -2.965 -1.686 167 HB2 ARG 20 2HB ARG 20 15.746 -0.996 -0.881 168 HB3 ARG 20 3HB ARG 20 15.885 -2.749 -0.937 169 HG2 ARG 20 2HG ARG 20 15.068 -1.795 -3.500 170 HG3 ARG 20 3HG ARG 20 16.484 -0.890 -2.960 171 HD2 ARG 20 2HD ARG 20 16.212 -3.884 -3.175 172 HD3 ARG 20 3HD ARG 20 17.205 -2.834 -4.185 173 HE ARG 20 HE ARG 20 17.825 -3.799 -1.542 174 HH11 ARG 20 1HH1 ARG 20 18.470 -1.369 -3.949 175 HH12 ARG 20 2HH1 ARG 20 20.040 -0.983 -3.328 176 HH21 ARG 20 1HH2 ARG 20 19.891 -3.301 -0.714 177 HH22 ARG 20 2HH2 ARG 20 20.848 -2.083 -1.488 178 H HIS 21 H HIS 21 13.352 0.046 0.085 179 HA HIS 21 HA HIS 21 13.325 -1.297 2.657 180 HB2 HIS 21 2HB HIS 21 13.206 1.560 1.758 181 HB3 HIS 21 3HB HIS 21 12.709 1.139 3.395 182 HD1 HIS 21 HD1 HIS 21 14.685 -0.452 4.639 183 HD2 HIS 21 HD2 HIS 21 15.819 2.201 1.649 184 HE1 HIS 21 HE1 HIS 21 17.149 -0.077 4.972 185 H TYR 22 H TYR 22 11.058 0.460 0.574 186 HA TYR 22 HA TYR 22 8.829 0.378 2.252 187 HB2 TYR 22 2HB TYR 22 9.113 0.487 -0.744 188 HB3 TYR 22 3HB TYR 22 7.533 0.479 0.032 189 HD1 TYR 22 HD1 TYR 22 7.905 2.193 2.348 190 HD2 TYR 22 HD2 TYR 22 9.441 2.617 -1.597 191 HE1 TYR 22 HE1 TYR 22 8.047 4.627 2.672 192 HE2 TYR 22 HE2 TYR 22 9.589 5.052 -1.283 193 HH TYR 22 HH TYR 22 8.107 6.762 0.560 194 H ALA 23 H ALA 23 10.177 -2.035 0.101 195 HA ALA 23 HA ALA 23 7.913 -3.821 0.466 196 HB1 ALA 23 1HB ALA 23 9.071 -3.643 -1.719 197 HB2 ALA 23 2HB ALA 23 10.510 -4.341 -0.974 198 HB3 ALA 23 3HB ALA 23 9.025 -5.287 -1.081 199 H ALA 24 H ALA 24 10.390 -2.966 2.372 200 HA ALA 24 HA ALA 24 11.135 -5.634 3.276 201 HB1 ALA 24 1HB ALA 24 12.469 -3.207 3.207 202 HB2 ALA 24 2HB ALA 24 12.108 -3.454 4.916 203 HB3 ALA 24 3HB ALA 24 13.004 -4.680 4.018 204 H PHE 25 H PHE 25 8.708 -3.408 3.881 205 HA PHE 25 HA PHE 25 8.072 -4.731 6.421 206 HB2 PHE 25 2HB PHE 25 7.663 -1.771 6.000 207 HB3 PHE 25 3HB PHE 25 7.481 -2.682 7.495 208 HD1 PHE 25 HD1 PHE 25 9.423 -3.392 8.766 209 HD2 PHE 25 HD2 PHE 25 9.831 -1.111 5.195 210 HE1 PHE 25 HE1 PHE 25 11.756 -2.883 9.361 211 HE2 PHE 25 HE2 PHE 25 12.165 -0.599 5.784 212 HZ PHE 25 HZ PHE 25 13.130 -1.486 7.869 213 H GLU 26 H GLU 26 6.935 -2.766 3.712 214 HA GLU 26 HA GLU 26 4.160 -3.328 4.280 215 HB2 GLU 26 2HB GLU 26 5.330 -2.098 1.783 216 HB3 GLU 26 3HB GLU 26 3.666 -1.995 2.340 217 HG2 GLU 26 2HG GLU 26 6.098 -0.659 3.466 218 HG3 GLU 26 3HG GLU 26 4.619 0.076 2.852 219 H ARG 27 H ARG 27 6.704 -4.775 2.494 220 HA ARG 27 HA ARG 27 4.876 -6.846 1.560 221 HB2 ARG 27 2HB ARG 27 6.513 -5.075 -0.204 222 HB3 ARG 27 3HB ARG 27 6.299 -6.759 -0.661 223 HG2 ARG 27 2HG ARG 27 4.033 -6.519 -1.007 224 HG3 ARG 27 3HG ARG 27 3.919 -5.103 0.041 225 HD2 ARG 27 2HD ARG 27 5.099 -3.763 -1.604 226 HD3 ARG 27 3HD ARG 27 5.306 -5.177 -2.636 227 HE ARG 27 HE ARG 27 3.180 -4.865 -3.402 228 HH11 ARG 27 1HH1 ARG 27 3.547 -3.153 -0.393 229 HH12 ARG 27 2HH1 ARG 27 1.989 -2.399 -0.482 230 HH21 ARG 27 1HH2 ARG 27 1.127 -3.878 -3.530 231 HH22 ARG 27 2HH2 ARG 27 0.614 -2.813 -2.266 232 H ALA 28 H ALA 28 7.072 -6.513 3.562 233 HA ALA 28 HA ALA 28 9.437 -7.745 2.819 234 HB1 ALA 28 1HB ALA 28 8.647 -8.624 5.441 235 HB2 ALA 28 2HB ALA 28 9.906 -7.480 4.973 236 HB3 ALA 28 3HB ALA 28 8.251 -6.921 5.211 237 H THR 29 H THR 29 6.852 -9.430 4.605 238 HA THR 29 HA THR 29 7.716 -11.938 3.358 239 HB THR 29 HB THR 29 7.488 -11.724 5.885 240 HG1 THR 29 HG1 THR 29 7.571 -13.791 5.275 241 HG21 THR 29 3HG2 THR 29 5.386 -11.698 6.899 242 HG22 THR 29 1HG2 THR 29 4.553 -12.128 5.406 243 HG23 THR 29 2HG2 THR 29 5.225 -10.510 5.606 244 H PHE 30 H PHE 30 5.014 -9.748 3.577 245 HA PHE 30 HA PHE 30 3.415 -11.558 1.894 246 HB2 PHE 30 2HB PHE 30 1.535 -9.892 2.609 247 HB3 PHE 30 3HB PHE 30 2.076 -11.126 3.742 248 HD1 PHE 30 HD1 PHE 30 3.322 -7.744 2.767 249 HD2 PHE 30 HD2 PHE 30 2.095 -10.355 5.896 250 HE1 PHE 30 HE1 PHE 30 3.829 -5.994 4.421 251 HE2 PHE 30 HE2 PHE 30 2.598 -8.610 7.555 252 HZ PHE 30 HZ PHE 30 3.466 -6.426 6.819 Start of MODEL 12 1 H1 TYR 1 H TYR 1 0.718 -2.549 -2.616 2 HA TYR 1 HA TYR 1 1.119 -0.105 -4.078 3 HB2 TYR 1 2HB TYR 1 1.599 -0.111 -1.714 4 HB3 TYR 1 3HB TYR 1 2.726 -1.449 -1.898 5 HD1 TYR 1 HD1 TYR 1 2.217 2.147 -2.406 6 HD2 TYR 1 HD2 TYR 1 4.960 -1.087 -2.757 7 HE1 TYR 1 HE1 TYR 1 4.057 3.750 -2.713 8 HE2 TYR 1 HE2 TYR 1 6.808 0.507 -3.064 9 HH TYR 1 HH TYR 1 6.341 3.750 -3.763 10 H ALA 2 H ALA 2 2.912 0.441 -5.351 11 HA ALA 2 HA ALA 2 4.373 0.088 -7.066 12 HB1 ALA 2 1HB ALA 2 5.374 -2.005 -5.140 13 HB2 ALA 2 2HB ALA 2 6.252 -1.434 -6.559 14 HB3 ALA 2 3HB ALA 2 5.894 -0.322 -5.238 15 H GLU 3 H GLU 3 1.837 -1.382 -7.134 16 HA GLU 3 HA GLU 3 2.638 -3.772 -8.651 17 HB2 GLU 3 2HB GLU 3 0.421 -4.637 -8.275 18 HB3 GLU 3 3HB GLU 3 1.097 -4.129 -6.734 19 HG2 GLU 3 2HG GLU 3 -0.182 -2.027 -6.904 20 HG3 GLU 3 3HG GLU 3 -0.914 -2.626 -8.391 21 H LYS 4 H LYS 4 1.053 -0.698 -8.843 22 HA LYS 4 HA LYS 4 0.391 -1.224 -11.667 23 HB2 LYS 4 2HB LYS 4 -1.364 0.417 -11.509 24 HB3 LYS 4 3HB LYS 4 -1.563 -0.740 -10.200 25 HG2 LYS 4 2HG LYS 4 -0.247 0.969 -8.788 26 HG3 LYS 4 3HG LYS 4 -0.652 2.105 -10.078 27 HD2 LYS 4 2HD LYS 4 -2.819 0.432 -8.896 28 HD3 LYS 4 3HD LYS 4 -2.217 1.817 -7.982 29 HE2 LYS 4 2HE LYS 4 -2.961 3.339 -9.547 30 HE3 LYS 4 3HE LYS 4 -2.940 2.161 -10.858 31 HZ1 LYS 4 3HZ LYS 4 -5.058 2.836 -9.054 32 HZ2 LYS 4 1HZ LYS 4 -4.779 1.168 -9.116 33 HZ3 LYS 4 2HZ LYS 4 -5.122 2.022 -10.535 34 H VAL 5 H VAL 5 2.064 0.813 -9.417 35 HA VAL 5 HA VAL 5 2.617 2.906 -11.322 36 HB VAL 5 HB VAL 5 3.898 2.388 -8.635 37 HG11 VAL 5 1HG1 VAL 5 4.264 4.944 -8.871 38 HG12 VAL 5 2HG1 VAL 5 5.347 3.838 -9.718 39 HG13 VAL 5 3HG1 VAL 5 4.046 4.644 -10.595 40 HG21 VAL 5 3HG2 VAL 5 1.452 3.925 -9.445 41 HG22 VAL 5 1HG2 VAL 5 1.637 2.731 -8.161 42 HG23 VAL 5 2HG2 VAL 5 2.352 4.333 -7.984 43 H ALA 6 H ALA 6 4.528 0.361 -9.725 44 HA ALA 6 HA ALA 6 6.930 0.888 -11.107 45 HB1 ALA 6 1HB ALA 6 6.536 -0.505 -8.977 46 HB2 ALA 6 2HB ALA 6 6.203 -1.834 -10.089 47 HB3 ALA 6 3HB ALA 6 7.776 -1.037 -10.113 48 H GLN 7 H GLN 7 4.405 -1.562 -11.664 49 HA GLN 7 HA GLN 7 5.505 -2.832 -13.857 50 HB2 GLN 7 2HB GLN 7 3.333 -3.648 -14.349 51 HB3 GLN 7 3HB GLN 7 3.401 -3.459 -12.602 52 HG2 GLN 7 2HG GLN 7 2.172 -1.374 -12.756 53 HG3 GLN 7 3HG GLN 7 2.145 -1.504 -14.514 54 HE21 GLN 7 1HE2 GLN 7 -0.195 -1.293 -14.094 55 HE22 GLN 7 2HE2 GLN 7 -1.098 -2.733 -13.785 56 H GLU 8 H GLU 8 3.961 0.283 -13.656 57 HA GLU 8 HA GLU 8 3.567 0.605 -16.471 58 HB2 GLU 8 2HB GLU 8 2.488 1.850 -14.390 59 HB3 GLU 8 3HB GLU 8 3.824 2.960 -14.659 60 HG2 GLU 8 2HG GLU 8 3.007 2.957 -17.115 61 HG3 GLU 8 3HG GLU 8 1.508 2.328 -16.432 62 H LYS 9 H LYS 9 5.801 2.207 -14.194 63 HA LYS 9 HA LYS 9 7.364 3.538 -16.039 64 HB2 LYS 9 2HB LYS 9 8.309 2.278 -13.457 65 HB3 LYS 9 3HB LYS 9 9.117 3.573 -14.330 66 HG2 LYS 9 2HG LYS 9 6.309 3.886 -13.336 67 HG3 LYS 9 3HG LYS 9 7.699 4.184 -12.290 68 HD2 LYS 9 2HD LYS 9 7.444 5.487 -14.984 69 HD3 LYS 9 3HD LYS 9 6.695 6.182 -13.545 70 HE2 LYS 9 2HE LYS 9 8.775 6.512 -12.495 71 HE3 LYS 9 3HE LYS 9 9.607 5.449 -13.629 72 HZ1 LYS 9 3HZ LYS 9 9.064 7.105 -15.387 73 HZ2 LYS 9 1HZ LYS 9 10.128 7.677 -14.202 74 HZ3 LYS 9 2HZ LYS 9 8.503 8.147 -14.177 75 H GLY 10 H GLY 10 8.501 0.582 -14.400 76 HA2 GLY 10 2HA GLY 10 8.985 -1.044 -16.546 77 HA3 GLY 10 3HA GLY 10 10.369 0.038 -16.509 78 H PHE 11 H PHE 11 11.600 -1.942 -16.164 79 HA PHE 11 HA PHE 11 11.275 -3.332 -13.658 80 HB2 PHE 11 2HB PHE 11 12.029 -4.576 -15.607 81 HB3 PHE 11 3HB PHE 11 13.422 -3.514 -15.780 82 HD1 PHE 11 HD1 PHE 11 11.840 -5.734 -13.234 83 HD2 PHE 11 HD2 PHE 11 15.435 -4.234 -14.949 84 HE1 PHE 11 HE1 PHE 11 13.151 -7.228 -11.784 85 HE2 PHE 11 HE2 PHE 11 16.752 -5.726 -13.502 86 HZ PHE 11 HZ PHE 11 15.611 -7.226 -11.918 87 H LEU 12 H LEU 12 13.820 -1.296 -15.097 88 HA LEU 12 HA LEU 12 15.542 -1.175 -12.941 89 HB2 LEU 12 2HB LEU 12 14.951 1.170 -14.727 90 HB3 LEU 12 3HB LEU 12 16.464 0.785 -13.910 91 HG LEU 12 HG LEU 12 15.260 -0.650 -16.273 92 HD11 LEU 12 1HD1 LEU 12 16.283 1.273 -17.085 93 HD12 LEU 12 2HD1 LEU 12 17.548 0.052 -17.218 94 HD13 LEU 12 3HD1 LEU 12 17.577 1.210 -15.888 95 HD21 LEU 12 3HD2 LEU 12 17.227 -1.506 -14.286 96 HD22 LEU 12 1HD2 LEU 12 17.791 -1.627 -15.953 97 HD23 LEU 12 2HD2 LEU 12 16.312 -2.451 -15.462 98 H TYR 13 H TYR 13 12.670 0.779 -13.593 99 HA TYR 13 HA TYR 13 12.899 2.690 -11.615 100 HB2 TYR 13 2HB TYR 13 11.125 2.850 -13.215 101 HB3 TYR 13 3HB TYR 13 10.445 1.308 -12.705 102 HD1 TYR 13 HD1 TYR 13 10.847 4.854 -11.826 103 HD2 TYR 13 HD2 TYR 13 9.057 1.149 -10.743 104 HE1 TYR 13 HE1 TYR 13 9.380 6.033 -10.243 105 HE2 TYR 13 HE2 TYR 13 7.583 2.318 -9.158 106 HH TYR 13 HH TYR 13 7.741 5.847 -8.763 107 H ARG 14 H ARG 14 11.254 -0.463 -11.347 108 HA ARG 14 HA ARG 14 10.514 -0.334 -8.692 109 HB2 ARG 14 2HB ARG 14 10.219 -2.191 -10.584 110 HB3 ARG 14 3HB ARG 14 11.546 -2.936 -9.703 111 HG2 ARG 14 2HG ARG 14 10.227 -2.885 -7.653 112 HG3 ARG 14 3HG ARG 14 8.897 -2.120 -8.526 113 HD2 ARG 14 2HD ARG 14 9.970 -4.660 -9.618 114 HD3 ARG 14 3HD ARG 14 9.031 -4.751 -8.128 115 HE ARG 14 HE ARG 14 7.778 -3.227 -10.227 116 HH11 ARG 14 1HH1 ARG 14 8.207 -6.380 -8.816 117 HH12 ARG 14 2HH1 ARG 14 6.733 -7.016 -9.468 118 HH21 ARG 14 1HH2 ARG 14 5.835 -4.052 -11.092 119 HH22 ARG 14 2HH2 ARG 14 5.386 -5.691 -10.763 120 H LEU 15 H LEU 15 13.656 -0.972 -10.079 121 HA LEU 15 HA LEU 15 14.857 -1.943 -7.677 122 HB2 LEU 15 2HB LEU 15 16.258 -0.695 -10.030 123 HB3 LEU 15 3HB LEU 15 16.930 -1.817 -8.849 124 HG LEU 15 HG LEU 15 14.786 -2.527 -10.848 125 HD11 LEU 15 1HD1 LEU 15 16.443 -3.535 -12.186 126 HD12 LEU 15 2HD1 LEU 15 17.683 -3.317 -10.951 127 HD13 LEU 15 3HD1 LEU 15 17.044 -1.919 -11.815 128 HD21 LEU 15 3HD2 LEU 15 15.395 -4.837 -10.220 129 HD22 LEU 15 1HD2 LEU 15 14.714 -3.918 -8.878 130 HD23 LEU 15 2HD2 LEU 15 16.454 -4.191 -8.966 131 H THR 16 H THR 16 14.047 -0.253 -6.237 132 HA THR 16 HA THR 16 15.955 1.960 -6.085 133 HB THR 16 HB THR 16 14.114 3.527 -5.434 134 HG1 THR 16 HG1 THR 16 12.069 2.890 -5.540 135 HG21 THR 16 3HG2 THR 16 14.316 2.373 -8.192 136 HG22 THR 16 1HG2 THR 16 14.914 3.915 -7.583 137 HG23 THR 16 2HG2 THR 16 13.187 3.684 -7.853 138 H SER 17 H SER 17 15.659 3.148 -3.920 139 HA SER 17 HA SER 17 15.925 1.227 -1.842 140 HB2 SER 17 2HB SER 17 16.947 3.654 -2.126 141 HB3 SER 17 3HB SER 17 15.507 4.122 -1.222 142 HG SER 17 HG SER 17 17.539 2.311 -0.430 143 H ARG 18 H ARG 18 13.464 3.687 -2.565 144 HA ARG 18 HA ARG 18 11.803 3.313 -0.385 145 HB2 ARG 18 2HB ARG 18 11.416 4.274 -3.171 146 HB3 ARG 18 3HB ARG 18 9.971 3.866 -2.256 147 HG2 ARG 18 2HG ARG 18 10.346 6.183 -1.968 148 HG3 ARG 18 3HG ARG 18 10.795 5.399 -0.452 149 HD2 ARG 18 2HD ARG 18 12.424 7.105 -1.100 150 HD3 ARG 18 3HD ARG 18 13.144 5.496 -1.078 151 HE ARG 18 HE ARG 18 12.182 6.296 -3.665 152 HH11 ARG 18 1HH1 ARG 18 14.861 6.412 -1.445 153 HH12 ARG 18 2HH1 ARG 18 16.046 6.663 -2.683 154 HH21 ARG 18 1HH2 ARG 18 13.733 6.626 -5.305 155 HH22 ARG 18 2HH2 ARG 18 15.403 6.785 -4.879 156 H TYR 19 H TYR 19 11.632 1.679 -3.546 157 HA TYR 19 HA TYR 19 9.462 0.033 -3.043 158 HB2 TYR 19 2HB TYR 19 10.328 0.169 -5.265 159 HB3 TYR 19 3HB TYR 19 11.909 -0.411 -4.755 160 HD1 TYR 19 HD1 TYR 19 8.340 -1.531 -4.716 161 HD2 TYR 19 HD2 TYR 19 12.427 -2.613 -5.197 162 HE1 TYR 19 HE1 TYR 19 7.661 -3.833 -5.253 163 HE2 TYR 19 HE2 TYR 19 11.759 -4.918 -5.737 164 HH TYR 19 HH TYR 19 9.976 -6.412 -5.538 165 H ARG 20 H ARG 20 12.878 -0.989 -2.863 166 HA ARG 20 HA ARG 20 12.479 -3.440 -1.659 167 HB2 ARG 20 2HB ARG 20 14.787 -1.514 -1.359 168 HB3 ARG 20 3HB ARG 20 14.817 -3.173 -0.777 169 HG2 ARG 20 2HG ARG 20 14.421 -3.945 -3.096 170 HG3 ARG 20 3HG ARG 20 14.541 -2.268 -3.634 171 HD2 ARG 20 2HD ARG 20 16.788 -2.194 -3.345 172 HD3 ARG 20 3HD ARG 20 16.752 -3.278 -1.955 173 HE ARG 20 HE ARG 20 16.095 -4.791 -4.187 174 HH11 ARG 20 1HH1 ARG 20 18.810 -2.964 -2.999 175 HH12 ARG 20 2HH1 ARG 20 19.989 -3.945 -3.807 176 HH21 ARG 20 1HH2 ARG 20 17.637 -6.089 -5.255 177 HH22 ARG 20 2HH2 ARG 20 19.320 -5.721 -5.090 178 H HIS 21 H HIS 21 12.434 -0.256 -0.239 179 HA HIS 21 HA HIS 21 12.647 -1.091 2.476 180 HB2 HIS 21 2HB HIS 21 12.001 1.428 1.047 181 HB3 HIS 21 3HB HIS 21 11.404 1.285 2.698 182 HD1 HIS 21 HD1 HIS 21 14.661 -0.307 1.866 183 HD2 HIS 21 HD2 HIS 21 13.269 3.235 3.533 184 HE1 HIS 21 HE1 HIS 21 16.671 0.775 2.920 185 H TYR 22 H TYR 22 9.858 0.083 0.583 186 HA TYR 22 HA TYR 22 7.919 -0.486 2.524 187 HB2 TYR 22 2HB TYR 22 7.595 -0.394 -0.483 188 HB3 TYR 22 3HB TYR 22 6.290 -0.294 0.694 189 HD1 TYR 22 HD2 TYR 22 7.148 1.576 2.664 190 HD2 TYR 22 HD1 TYR 22 7.878 1.640 -1.527 191 HE1 TYR 22 HE2 TYR 22 7.412 4.020 2.753 192 HE2 TYR 22 HE1 TYR 22 8.146 4.084 -1.449 193 HH TYR 22 HH TYR 22 7.388 5.973 0.035 194 H ALA 23 H ALA 23 9.520 -2.511 0.206 195 HA ALA 23 HA ALA 23 7.641 -4.705 0.649 196 HB1 ALA 23 1HB ALA 23 10.000 -4.437 -1.208 197 HB2 ALA 23 2HB ALA 23 9.000 -5.884 -1.067 198 HB3 ALA 23 3HB ALA 23 8.290 -4.373 -1.636 199 H ALA 24 H ALA 24 10.055 -3.485 2.367 200 HA ALA 24 HA ALA 24 11.445 -5.987 2.944 201 HB1 ALA 24 1HB ALA 24 13.151 -4.592 3.216 202 HB2 ALA 24 2HB ALA 24 12.085 -3.187 3.170 203 HB3 ALA 24 3HB ALA 24 12.373 -4.025 4.695 204 H PHE 25 H PHE 25 8.800 -4.189 4.066 205 HA PHE 25 HA PHE 25 8.735 -5.794 6.529 206 HB2 PHE 25 2HB PHE 25 7.718 -2.957 6.379 207 HB3 PHE 25 3HB PHE 25 7.915 -3.957 7.814 208 HD1 PHE 25 HD2 PHE 25 9.657 -1.961 5.278 209 HD2 PHE 25 HD1 PHE 25 10.046 -4.207 8.873 210 HE1 PHE 25 HE2 PHE 25 11.907 -1.025 5.615 211 HE2 PHE 25 HE1 PHE 25 12.297 -3.273 9.216 212 HZ PHE 25 HZ PHE 25 13.231 -1.682 7.586 213 H GLU 26 H GLU 26 6.919 -4.002 4.092 214 HA GLU 26 HA GLU 26 4.404 -5.163 4.949 215 HB2 GLU 26 2HB GLU 26 4.864 -3.542 2.452 216 HB3 GLU 26 3HB GLU 26 3.365 -3.761 3.343 217 HG2 GLU 26 2HG GLU 26 5.746 -2.098 4.074 218 HG3 GLU 26 3HG GLU 26 4.073 -1.592 3.847 219 H ARG 27 H ARG 27 6.873 -5.738 2.592 220 HA ARG 27 HA ARG 27 5.346 -8.045 1.607 221 HB2 ARG 27 2HB ARG 27 7.084 -6.407 -0.225 222 HB3 ARG 27 3HB ARG 27 5.889 -7.625 -0.651 223 HG2 ARG 27 2HG ARG 27 4.391 -5.763 0.691 224 HG3 ARG 27 3HG ARG 27 5.567 -4.773 -0.175 225 HD2 ARG 27 2HD ARG 27 3.681 -6.815 -1.340 226 HD3 ARG 27 3HD ARG 27 3.640 -5.067 -1.572 227 HE ARG 27 HE ARG 27 6.111 -5.883 -2.468 228 HH11 ARG 27 1HH1 ARG 27 2.787 -6.565 -3.246 229 HH12 ARG 27 2HH1 ARG 27 3.110 -6.899 -4.915 230 HH21 ARG 27 1HH2 ARG 27 6.549 -6.320 -4.664 231 HH22 ARG 27 2HH2 ARG 27 5.250 -6.760 -5.720 232 H ALA 28 H ALA 28 7.642 -7.518 3.520 233 HA ALA 28 HA ALA 28 10.084 -8.347 2.544 234 HB1 ALA 28 1HB ALA 28 9.562 -9.554 5.115 235 HB2 ALA 28 2HB ALA 28 10.668 -8.248 4.687 236 HB3 ALA 28 3HB ALA 28 8.981 -7.890 5.056 237 H THR 29 H THR 29 7.863 -10.537 4.275 238 HA THR 29 HA THR 29 8.961 -12.762 2.704 239 HB THR 29 HB THR 29 9.005 -12.823 5.253 240 HG1 THR 29 HG1 THR 29 9.119 -14.693 3.779 241 HG21 THR 29 3HG2 THR 29 6.581 -11.967 5.359 242 HG22 THR 29 1HG2 THR 29 7.049 -13.259 6.464 243 HG23 THR 29 2HG2 THR 29 6.123 -13.634 5.010 244 H PHE 30 H PHE 30 6.029 -11.033 3.437 245 HA PHE 30 HA PHE 30 4.514 -12.892 1.728 246 HB2 PHE 30 2HB PHE 30 2.515 -11.620 2.844 247 HB3 PHE 30 3HB PHE 30 3.349 -12.891 3.732 248 HD1 PHE 30 HD2 PHE 30 4.074 -9.282 3.118 249 HD2 PHE 30 HD1 PHE 30 3.450 -12.386 5.963 250 HE1 PHE 30 HE2 PHE 30 4.536 -7.698 4.943 251 HE2 PHE 30 HE1 PHE 30 3.910 -10.806 7.792 252 HZ PHE 30 HZ PHE 30 4.456 -8.459 7.284 Start of MODEL 13 1 H1 TYR 1 H TYR 1 3.786 -5.960 -5.312 2 HA TYR 1 HA TYR 1 2.639 -4.853 -2.877 3 HB2 TYR 1 2HB TYR 1 5.061 -4.506 -3.637 4 HB3 TYR 1 3HB TYR 1 4.407 -3.398 -4.838 5 HD1 TYR 1 HD1 TYR 1 2.800 -1.541 -3.863 6 HD2 TYR 1 HD2 TYR 1 5.706 -3.656 -1.586 7 HE1 TYR 1 HE1 TYR 1 2.809 0.272 -2.201 8 HE2 TYR 1 HE2 TYR 1 5.722 -1.850 0.083 9 HH TYR 1 HH TYR 1 3.478 0.862 -0.123 10 H ALA 2 H ALA 2 2.697 -4.098 -6.354 11 HA ALA 2 HA ALA 2 -0.018 -3.323 -6.422 12 HB1 ALA 2 1HB ALA 2 0.061 -0.988 -6.546 13 HB2 ALA 2 2HB ALA 2 1.089 -1.389 -5.169 14 HB3 ALA 2 3HB ALA 2 1.816 -0.967 -6.719 15 H GLU 3 H GLU 3 -0.677 -2.528 -8.544 16 HA GLU 3 HA GLU 3 1.319 -3.083 -10.638 17 HB2 GLU 3 2HB GLU 3 -0.510 -4.062 -11.996 18 HB3 GLU 3 3HB GLU 3 -0.185 -4.971 -10.527 19 HG2 GLU 3 2HG GLU 3 -2.445 -4.932 -10.434 20 HG3 GLU 3 3HG GLU 3 -2.108 -3.430 -9.576 21 H LYS 4 H LYS 4 0.447 -0.544 -9.453 22 HA LYS 4 HA LYS 4 -0.821 0.696 -11.806 23 HB2 LYS 4 2HB LYS 4 -2.045 0.878 -9.617 24 HB3 LYS 4 3HB LYS 4 -0.692 1.819 -9.004 25 HG2 LYS 4 2HG LYS 4 -2.238 3.424 -9.647 26 HG3 LYS 4 3HG LYS 4 -1.113 3.364 -11.006 27 HD2 LYS 4 2HD LYS 4 -2.623 2.124 -12.330 28 HD3 LYS 4 3HD LYS 4 -3.647 1.745 -10.943 29 HE2 LYS 4 2HE LYS 4 -4.475 3.944 -10.823 30 HE3 LYS 4 3HE LYS 4 -3.202 4.568 -11.872 31 HZ1 LYS 4 3HZ LYS 4 -5.482 2.839 -12.656 32 HZ2 LYS 4 1HZ LYS 4 -4.185 3.202 -13.680 33 HZ3 LYS 4 2HZ LYS 4 -5.199 4.439 -13.128 34 H VAL 5 H VAL 5 1.880 0.792 -9.592 35 HA VAL 5 HA VAL 5 3.130 2.853 -11.289 36 HB VAL 5 HB VAL 5 4.392 3.630 -9.331 37 HG11 VAL 5 1HG1 VAL 5 1.403 3.634 -8.925 38 HG12 VAL 5 2HG1 VAL 5 2.543 4.752 -8.174 39 HG13 VAL 5 3HG1 VAL 5 2.320 4.760 -9.924 40 HG21 VAL 5 3HG2 VAL 5 4.559 2.379 -7.504 41 HG22 VAL 5 1HG2 VAL 5 2.829 2.567 -7.217 42 HG23 VAL 5 2HG2 VAL 5 3.421 1.216 -8.184 43 H ALA 6 H ALA 6 3.202 -0.123 -11.392 44 HA ALA 6 HA ALA 6 6.033 -0.617 -10.785 45 HB1 ALA 6 1HB ALA 6 5.144 -3.031 -11.539 46 HB2 ALA 6 2HB ALA 6 5.027 -2.430 -9.884 47 HB3 ALA 6 3HB ALA 6 3.633 -2.328 -10.961 48 H GLN 7 H GLN 7 3.651 -1.098 -13.389 49 HA GLN 7 HA GLN 7 5.537 -1.897 -15.336 50 HB2 GLN 7 2HB GLN 7 3.223 -2.437 -15.659 51 HB3 GLN 7 3HB GLN 7 2.759 -0.743 -15.582 52 HG2 GLN 7 2HG GLN 7 2.732 -1.649 -17.867 53 HG3 GLN 7 3HG GLN 7 3.842 -0.293 -17.675 54 HE21 GLN 7 1HE2 GLN 7 5.265 -0.744 -19.259 55 HE22 GLN 7 2HE2 GLN 7 6.240 -2.169 -19.320 56 H GLU 8 H GLU 8 4.519 1.203 -14.164 57 HA GLU 8 HA GLU 8 5.382 2.752 -16.384 58 HB2 GLU 8 2HB GLU 8 4.863 3.433 -13.493 59 HB3 GLU 8 3HB GLU 8 5.374 4.635 -14.670 60 HG2 GLU 8 2HG GLU 8 3.380 4.075 -16.031 61 HG3 GLU 8 3HG GLU 8 2.852 2.998 -14.740 62 H LYS 9 H LYS 9 7.254 4.024 -16.606 63 HA LYS 9 HA LYS 9 9.495 4.409 -16.578 64 HB2 LYS 9 2HB LYS 9 9.170 3.704 -13.656 65 HB3 LYS 9 3HB LYS 9 10.604 4.442 -14.357 66 HG2 LYS 9 2HG LYS 9 7.934 5.749 -14.659 67 HG3 LYS 9 3HG LYS 9 8.862 5.931 -13.169 68 HD2 LYS 9 2HD LYS 9 10.807 6.614 -14.700 69 HD3 LYS 9 3HD LYS 9 9.577 6.808 -15.950 70 HE2 LYS 9 2HE LYS 9 8.607 8.604 -14.908 71 HE3 LYS 9 3HE LYS 9 9.124 8.090 -13.303 72 HZ1 LYS 9 3HZ LYS 9 11.464 8.615 -14.186 73 HZ2 LYS 9 1HZ LYS 9 10.464 9.902 -13.734 74 HZ3 LYS 9 2HZ LYS 9 10.663 9.519 -15.369 75 H GLY 10 H GLY 10 8.453 1.687 -17.102 76 HA2 GLY 10 2HA GLY 10 9.418 -0.311 -17.721 77 HA3 GLY 10 3HA GLY 10 10.972 0.351 -17.237 78 H PHE 11 H PHE 11 11.097 -2.032 -16.592 79 HA PHE 11 HA PHE 11 9.726 -2.727 -14.146 80 HB2 PHE 11 2HB PHE 11 10.124 -4.514 -15.697 81 HB3 PHE 11 3HB PHE 11 11.842 -4.136 -15.778 82 HD1 PHE 11 HD1 PHE 11 9.182 -5.613 -13.731 83 HD2 PHE 11 HD2 PHE 11 13.359 -4.877 -14.083 84 HE1 PHE 11 HE1 PHE 11 9.615 -7.219 -11.918 85 HE2 PHE 11 HE2 PHE 11 13.799 -6.482 -12.272 86 HZ PHE 11 HZ PHE 11 11.925 -7.657 -11.187 87 H LEU 12 H LEU 12 12.889 -1.586 -15.120 88 HA LEU 12 HA LEU 12 14.359 -2.127 -12.824 89 HB2 LEU 12 2HB LEU 12 14.503 0.081 -14.849 90 HB3 LEU 12 3HB LEU 12 15.623 0.008 -13.490 91 HG LEU 12 HG LEU 12 16.193 -2.347 -14.341 92 HD11 LEU 12 1HD1 LEU 12 15.902 -2.258 -16.959 93 HD12 LEU 12 2HD1 LEU 12 14.485 -1.297 -16.536 94 HD13 LEU 12 3HD1 LEU 12 14.652 -2.940 -15.917 95 HD21 LEU 12 3HD2 LEU 12 17.671 -0.378 -14.489 96 HD22 LEU 12 1HD2 LEU 12 16.937 0.032 -16.039 97 HD23 LEU 12 2HD2 LEU 12 17.850 -1.467 -15.866 98 H TYR 13 H TYR 13 11.884 0.232 -13.389 99 HA TYR 13 HA TYR 13 12.422 2.145 -11.468 100 HB2 TYR 13 2HB TYR 13 10.597 2.454 -12.999 101 HB3 TYR 13 3HB TYR 13 9.773 1.023 -12.391 102 HD1 TYR 13 HD2 TYR 13 10.650 4.520 -11.666 103 HD2 TYR 13 HD1 TYR 13 8.473 1.102 -10.371 104 HE1 TYR 13 HE2 TYR 13 9.423 5.919 -10.057 105 HE2 TYR 13 HE1 TYR 13 7.239 2.491 -8.759 106 HH TYR 13 HH TYR 13 7.027 5.704 -8.886 107 H ARG 14 H ARG 14 10.676 -0.925 -11.081 108 HA ARG 14 HA ARG 14 10.013 -0.644 -8.381 109 HB2 ARG 14 2HB ARG 14 10.575 -3.134 -9.998 110 HB3 ARG 14 3HB ARG 14 9.888 -3.145 -8.380 111 HG2 ARG 14 2HG ARG 14 8.015 -1.735 -9.266 112 HG3 ARG 14 3HG ARG 14 8.668 -2.012 -10.882 113 HD2 ARG 14 2HD ARG 14 7.055 -3.669 -10.683 114 HD3 ARG 14 3HD ARG 14 8.543 -4.513 -10.254 115 HE ARG 14 HE ARG 14 7.616 -3.672 -7.863 116 HH11 ARG 14 1HH1 ARG 14 6.154 -5.414 -10.499 117 HH12 ARG 14 2HH1 ARG 14 5.065 -6.299 -9.483 118 HH21 ARG 14 1HH2 ARG 14 6.187 -4.831 -6.514 119 HH22 ARG 14 2HH2 ARG 14 5.084 -5.965 -7.216 120 H LEU 15 H LEU 15 13.019 -1.435 -9.913 121 HA LEU 15 HA LEU 15 14.238 -2.514 -7.533 122 HB2 LEU 15 2HB LEU 15 15.660 -1.568 -10.005 123 HB3 LEU 15 3HB LEU 15 16.205 -2.756 -8.822 124 HG LEU 15 HG LEU 15 13.894 -3.165 -10.717 125 HD11 LEU 15 1HD1 LEU 15 16.724 -4.191 -10.880 126 HD12 LEU 15 2HD1 LEU 15 15.999 -2.978 -11.935 127 HD13 LEU 15 3HD1 LEU 15 15.396 -4.635 -11.952 128 HD21 LEU 15 3HD2 LEU 15 13.918 -5.430 -9.995 129 HD22 LEU 15 1HD2 LEU 15 13.884 -4.425 -8.546 130 HD23 LEU 15 2HD2 LEU 15 15.392 -5.183 -9.057 131 H THR 16 H THR 16 13.443 -0.418 -6.420 132 HA THR 16 HA THR 16 15.658 1.525 -6.490 133 HB THR 16 HB THR 16 13.786 3.118 -5.533 134 HG1 THR 16 HG1 THR 16 11.825 2.529 -6.900 135 HG21 THR 16 3HG2 THR 16 13.153 3.483 -8.110 136 HG22 THR 16 1HG2 THR 16 14.559 2.439 -8.312 137 HG23 THR 16 2HG2 THR 16 14.709 3.961 -7.433 138 H SER 17 H SER 17 15.995 2.682 -4.441 139 HA SER 17 HA SER 17 16.340 0.968 -2.287 140 HB2 SER 17 2HB SER 17 17.301 3.374 -2.800 141 HB3 SER 17 3HB SER 17 15.962 3.892 -1.776 142 HG SER 17 HG SER 17 17.861 3.515 -0.564 143 H ARG 18 H ARG 18 13.796 3.402 -2.792 144 HA ARG 18 HA ARG 18 12.409 3.108 -0.423 145 HB2 ARG 18 2HB ARG 18 11.654 3.918 -3.188 146 HB3 ARG 18 3HB ARG 18 10.355 3.586 -2.050 147 HG2 ARG 18 2HG ARG 18 10.670 5.854 -1.801 148 HG3 ARG 18 3HG ARG 18 11.644 5.194 -0.485 149 HD2 ARG 18 2HD ARG 18 13.657 5.459 -1.769 150 HD3 ARG 18 3HD ARG 18 12.735 5.936 -3.194 151 HE ARG 18 HE ARG 18 13.491 7.602 -0.995 152 HH11 ARG 18 1HH1 ARG 18 11.103 7.111 -3.480 153 HH12 ARG 18 2HH1 ARG 18 10.625 8.776 -3.531 154 HH21 ARG 18 1HH2 ARG 18 12.871 9.796 -1.054 155 HH22 ARG 18 2HH2 ARG 18 11.632 10.302 -2.152 156 H TYR 19 H TYR 19 11.768 1.388 -3.482 157 HA TYR 19 HA TYR 19 9.745 -0.275 -2.563 158 HB2 TYR 19 2HB TYR 19 10.181 -0.135 -4.914 159 HB3 TYR 19 3HB TYR 19 11.828 -0.719 -4.704 160 HD1 TYR 19 HD2 TYR 19 8.278 -1.685 -4.728 161 HD2 TYR 19 HD1 TYR 19 12.295 -3.066 -4.491 162 HE1 TYR 19 HE2 TYR 19 7.504 -3.986 -5.117 163 HE2 TYR 19 HE1 TYR 19 11.532 -5.371 -4.881 164 HH TYR 19 HH TYR 19 9.595 -6.717 -4.749 165 H ARG 20 H ARG 20 13.252 -0.760 -2.512 166 HA ARG 20 HA ARG 20 13.207 -3.390 -1.494 167 HB2 ARG 20 2HB ARG 20 15.286 -1.213 -1.496 168 HB3 ARG 20 3HB ARG 20 15.581 -2.762 -0.716 169 HG2 ARG 20 2HG ARG 20 15.701 -3.894 -2.690 170 HG3 ARG 20 3HG ARG 20 14.619 -2.777 -3.523 171 HD2 ARG 20 2HD ARG 20 16.720 -2.362 -4.464 172 HD3 ARG 20 3HD ARG 20 16.500 -1.064 -3.292 173 HE ARG 20 HE ARG 20 17.827 -3.090 -1.965 174 HH11 ARG 20 1HH1 ARG 20 18.394 -1.042 -4.722 175 HH12 ARG 20 2HH1 ARG 20 20.116 -1.046 -4.535 176 HH21 ARG 20 1HH2 ARG 20 20.093 -3.104 -1.708 177 HH22 ARG 20 2HH2 ARG 20 21.082 -2.221 -2.821 178 H HIS 21 H HIS 21 13.056 -0.243 0.035 179 HA HIS 21 HA HIS 21 13.559 -1.124 2.687 180 HB2 HIS 21 2HB HIS 21 12.411 1.354 1.459 181 HB3 HIS 21 3HB HIS 21 12.253 1.101 3.195 182 HD1 HIS 21 HD1 HIS 21 14.972 0.017 3.933 183 HD2 HIS 21 HD2 HIS 21 14.435 3.137 1.242 184 HE1 HIS 21 HE1 HIS 21 17.150 1.275 3.918 185 H TYR 22 H TYR 22 10.501 -0.066 1.177 186 HA TYR 22 HA TYR 22 8.820 -0.897 3.236 187 HB2 TYR 22 2HB TYR 22 8.119 -0.846 0.296 188 HB3 TYR 22 3HB TYR 22 7.007 -0.702 1.652 189 HD1 TYR 22 HD1 TYR 22 8.124 1.259 3.387 190 HD2 TYR 22 HD2 TYR 22 8.217 1.143 -0.865 191 HE1 TYR 22 HE1 TYR 22 8.369 3.706 3.331 192 HE2 TYR 22 HE2 TYR 22 8.463 3.589 -0.933 193 HH TYR 22 HH TYR 22 7.741 5.560 0.874 194 H ALA 23 H ALA 23 10.351 -2.709 0.704 195 HA ALA 23 HA ALA 23 8.668 -5.030 0.982 196 HB1 ALA 23 1HB ALA 23 11.180 -4.437 -0.542 197 HB2 ALA 23 2HB ALA 23 10.548 -6.080 -0.423 198 HB3 ALA 23 3HB ALA 23 9.568 -4.810 -1.155 199 H ALA 24 H ALA 24 11.410 -3.761 2.589 200 HA ALA 24 HA ALA 24 12.324 -6.319 3.602 201 HB1 ALA 24 1HB ALA 24 14.121 -5.183 4.536 202 HB2 ALA 24 2HB ALA 24 13.777 -4.254 3.076 203 HB3 ALA 24 3HB ALA 24 13.231 -3.663 4.646 204 H PHE 25 H PHE 25 10.073 -3.893 4.481 205 HA PHE 25 HA PHE 25 9.915 -4.957 7.221 206 HB2 PHE 25 2HB PHE 25 8.822 -2.340 6.170 207 HB3 PHE 25 3HB PHE 25 8.809 -2.879 7.845 208 HD1 PHE 25 HD1 PHE 25 11.098 -3.332 8.935 209 HD2 PHE 25 HD2 PHE 25 10.575 -1.057 5.376 210 HE1 PHE 25 HE1 PHE 25 13.289 -2.271 9.295 211 HE2 PHE 25 HE2 PHE 25 12.765 0.007 5.730 212 HZ PHE 25 HZ PHE 25 14.126 -0.600 7.691 213 H GLU 26 H GLU 26 7.774 -3.605 4.705 214 HA GLU 26 HA GLU 26 5.439 -4.831 5.762 215 HB2 GLU 26 2HB GLU 26 5.748 -3.928 2.909 216 HB3 GLU 26 3HB GLU 26 4.297 -3.941 3.900 217 HG2 GLU 26 2HG GLU 26 6.609 -2.046 3.981 218 HG3 GLU 26 3HG GLU 26 4.893 -1.698 3.781 219 H ARG 27 H ARG 27 7.652 -5.656 3.128 220 HA ARG 27 HA ARG 27 6.244 -8.217 2.801 221 HB2 ARG 27 2HB ARG 27 8.342 -7.152 0.927 222 HB3 ARG 27 3HB ARG 27 7.090 -8.345 0.609 223 HG2 ARG 27 2HG ARG 27 6.715 -5.384 0.991 224 HG3 ARG 27 3HG ARG 27 6.526 -6.302 -0.505 225 HD2 ARG 27 2HD ARG 27 4.663 -7.537 0.496 226 HD3 ARG 27 3HD ARG 27 4.853 -6.614 1.986 227 HE ARG 27 HE ARG 27 4.414 -5.016 -0.378 228 HH11 ARG 27 1HH1 ARG 27 2.949 -6.708 2.289 229 HH12 ARG 27 2HH1 ARG 27 1.485 -5.783 2.241 230 HH21 ARG 27 1HH2 ARG 27 2.491 -3.791 -0.451 231 HH22 ARG 27 2HH2 ARG 27 1.225 -4.125 0.681 232 H ALA 28 H ALA 28 8.152 -7.548 4.953 233 HA ALA 28 HA ALA 28 10.695 -8.562 4.601 234 HB1 ALA 28 1HB ALA 28 9.882 -7.448 6.650 235 HB2 ALA 28 2HB ALA 28 8.987 -8.912 7.062 236 HB3 ALA 28 3HB ALA 28 10.749 -8.948 6.983 237 H THR 29 H THR 29 8.146 -10.452 6.217 238 HA THR 29 HA THR 29 9.406 -12.927 5.861 239 HB THR 29 HB THR 29 7.541 -12.413 7.489 240 HG1 THR 29 HG1 THR 29 7.801 -14.522 7.527 241 HG21 THR 29 3HG2 THR 29 6.038 -11.390 5.762 242 HG22 THR 29 1HG2 THR 29 5.264 -12.609 6.774 243 HG23 THR 29 2HG2 THR 29 5.758 -13.012 5.130 244 H PHE 30 H PHE 30 7.218 -11.127 3.809 245 HA PHE 30 HA PHE 30 7.624 -13.137 1.709 246 HB2 PHE 30 2HB PHE 30 5.387 -13.332 1.181 247 HB3 PHE 30 3HB PHE 30 5.285 -13.139 2.928 248 HD1 PHE 30 HD2 PHE 30 5.471 -10.382 3.467 249 HD2 PHE 30 HD1 PHE 30 3.648 -12.288 0.126 250 HE1 PHE 30 HE2 PHE 30 3.997 -8.436 3.166 251 HE2 PHE 30 HE1 PHE 30 2.172 -10.343 -0.182 252 HZ PHE 30 HZ PHE 30 2.344 -8.415 1.340 Start of MODEL 14 1 H1 TYR 1 H TYR 1 2.377 -5.317 -3.326 2 HA TYR 1 HA TYR 1 0.686 -3.497 -3.645 3 HB2 TYR 1 2HB TYR 1 2.030 -1.713 -2.396 4 HB3 TYR 1 3HB TYR 1 1.875 -3.285 -1.620 5 HD1 TYR 1 HD2 TYR 1 4.168 -0.967 -3.290 6 HD2 TYR 1 HD1 TYR 1 3.795 -4.747 -1.373 7 HE1 TYR 1 HE2 TYR 1 6.617 -1.112 -3.111 8 HE2 TYR 1 HE1 TYR 1 6.242 -4.902 -1.188 9 HH TYR 1 HH TYR 1 8.332 -2.233 -2.190 10 H ALA 2 H ALA 2 2.135 -3.893 -6.197 11 HA ALA 2 HA ALA 2 2.304 -1.064 -7.007 12 HB1 ALA 2 1HB ALA 2 3.993 -3.382 -7.918 13 HB2 ALA 2 2HB ALA 2 3.916 -1.843 -8.777 14 HB3 ALA 2 3HB ALA 2 4.520 -1.899 -7.121 15 H GLU 3 H GLU 3 1.110 -0.456 -8.726 16 HA GLU 3 HA GLU 3 -0.146 -2.551 -10.362 17 HB2 GLU 3 2HB GLU 3 -1.481 -0.294 -8.900 18 HB3 GLU 3 3HB GLU 3 -2.193 -0.951 -10.367 19 HG2 GLU 3 2HG GLU 3 -2.247 -3.173 -9.331 20 HG3 GLU 3 3HG GLU 3 -1.578 -2.485 -7.852 21 H LYS 4 H LYS 4 0.054 1.005 -10.117 22 HA LYS 4 HA LYS 4 0.537 1.087 -13.020 23 HB2 LYS 4 2HB LYS 4 -1.488 2.283 -12.007 24 HB3 LYS 4 3HB LYS 4 -0.333 3.415 -11.316 25 HG2 LYS 4 2HG LYS 4 -0.921 4.497 -13.246 26 HG3 LYS 4 3HG LYS 4 0.511 3.612 -13.778 27 HD2 LYS 4 2HD LYS 4 -0.964 3.122 -15.474 28 HD3 LYS 4 3HD LYS 4 -1.236 1.757 -14.388 29 HE2 LYS 4 2HE LYS 4 -3.164 2.936 -13.420 30 HE3 LYS 4 3HE LYS 4 -2.899 4.270 -14.541 31 HZ1 LYS 4 3HZ LYS 4 -3.967 3.185 -16.137 32 HZ2 LYS 4 1HZ LYS 4 -4.446 2.049 -14.978 33 HZ3 LYS 4 2HZ LYS 4 -3.059 1.777 -15.906 34 H VAL 5 H VAL 5 1.805 1.916 -9.904 35 HA VAL 5 HA VAL 5 3.644 3.890 -10.478 36 HB VAL 5 HB VAL 5 5.000 3.016 -8.618 37 HG11 VAL 5 1HG1 VAL 5 2.279 2.642 -7.558 38 HG12 VAL 5 2HG1 VAL 5 3.544 3.774 -7.073 39 HG13 VAL 5 3HG1 VAL 5 2.540 4.121 -8.482 40 HG21 VAL 5 3HG2 VAL 5 5.024 0.724 -8.700 41 HG22 VAL 5 1HG2 VAL 5 3.830 0.982 -7.428 42 HG23 VAL 5 2HG2 VAL 5 3.304 0.609 -9.070 43 H ALA 6 H ALA 6 3.789 0.466 -11.198 44 HA ALA 6 HA ALA 6 6.533 0.683 -12.162 45 HB1 ALA 6 1HB ALA 6 4.661 -1.634 -11.779 46 HB2 ALA 6 2HB ALA 6 6.191 -1.794 -12.642 47 HB3 ALA 6 3HB ALA 6 6.181 -1.296 -10.950 48 H GLN 7 H GLN 7 3.281 0.593 -13.350 49 HA GLN 7 HA GLN 7 3.940 -0.143 -16.036 50 HB2 GLN 7 2HB GLN 7 1.722 -0.608 -15.278 51 HB3 GLN 7 3HB GLN 7 1.472 1.063 -14.790 52 HG2 GLN 7 2HG GLN 7 0.331 0.346 -16.911 53 HG3 GLN 7 3HG GLN 7 1.321 1.801 -17.018 54 HE21 GLN 7 1HE2 GLN 7 1.874 1.749 -19.118 55 HE22 GLN 7 2HE2 GLN 7 2.778 0.478 -19.862 56 H GLU 8 H GLU 8 3.842 2.812 -14.230 57 HA GLU 8 HA GLU 8 3.602 4.625 -16.384 58 HB2 GLU 8 2HB GLU 8 4.761 4.900 -13.614 59 HB3 GLU 8 3HB GLU 8 4.690 6.243 -14.746 60 HG2 GLU 8 2HG GLU 8 2.186 4.746 -14.223 61 HG3 GLU 8 3HG GLU 8 2.799 5.803 -12.953 62 H LYS 9 H LYS 9 6.264 2.806 -15.103 63 HA LYS 9 HA LYS 9 8.032 4.061 -17.096 64 HB2 LYS 9 2HB LYS 9 8.537 3.419 -14.222 65 HB3 LYS 9 3HB LYS 9 9.869 3.287 -15.363 66 HG2 LYS 9 2HG LYS 9 8.255 5.779 -15.380 67 HG3 LYS 9 3HG LYS 9 9.383 5.516 -14.048 68 HD2 LYS 9 2HD LYS 9 11.075 4.954 -15.940 69 HD3 LYS 9 3HD LYS 9 9.940 5.826 -16.973 70 HE2 LYS 9 2HE LYS 9 10.141 7.797 -15.585 71 HE3 LYS 9 3HE LYS 9 11.178 6.930 -14.454 72 HZ1 LYS 9 3HZ LYS 9 12.916 7.517 -15.667 73 HZ2 LYS 9 1HZ LYS 9 11.917 8.325 -16.768 74 HZ3 LYS 9 2HZ LYS 9 12.290 6.693 -17.006 75 H GLY 10 H GLY 10 8.364 1.284 -14.893 76 HA2 GLY 10 2HA GLY 10 7.861 -0.790 -16.625 77 HA3 GLY 10 3HA GLY 10 9.526 -0.329 -16.951 78 H PHE 11 H PHE 11 10.378 -2.268 -16.205 79 HA PHE 11 HA PHE 11 9.783 -3.221 -13.555 80 HB2 PHE 11 2HB PHE 11 10.291 -4.870 -15.222 81 HB3 PHE 11 3HB PHE 11 11.808 -4.074 -15.627 82 HD1 PHE 11 HD2 PHE 11 10.052 -6.015 -13.027 83 HD2 PHE 11 HD1 PHE 11 13.785 -4.520 -14.422 84 HE1 PHE 11 HE2 PHE 11 11.225 -7.437 -11.399 85 HE2 PHE 11 HE1 PHE 11 14.965 -5.941 -12.796 86 HZ PHE 11 HZ PHE 11 13.685 -7.401 -11.281 87 H LEU 12 H LEU 12 12.504 -1.607 -15.145 88 HA LEU 12 HA LEU 12 14.348 -1.649 -13.080 89 HB2 LEU 12 2HB LEU 12 13.818 0.477 -15.146 90 HB3 LEU 12 3HB LEU 12 15.226 0.467 -14.086 91 HG LEU 12 HG LEU 12 15.522 -1.953 -15.163 92 HD11 LEU 12 1HD1 LEU 12 14.993 -1.246 -17.726 93 HD12 LEU 12 2HD1 LEU 12 13.603 -0.557 -16.889 94 HD13 LEU 12 3HD1 LEU 12 13.958 -2.278 -16.738 95 HD21 LEU 12 3HD2 LEU 12 16.425 0.125 -17.015 96 HD22 LEU 12 1HD2 LEU 12 17.354 -1.042 -16.073 97 HD23 LEU 12 2HD2 LEU 12 16.799 0.454 -15.322 98 H TYR 13 H TYR 13 11.640 0.546 -13.617 99 HA TYR 13 HA TYR 13 12.169 2.496 -11.738 100 HB2 TYR 13 2HB TYR 13 10.302 2.751 -13.216 101 HB3 TYR 13 3HB TYR 13 9.535 1.293 -12.596 102 HD1 TYR 13 HD2 TYR 13 8.440 1.302 -10.400 103 HD2 TYR 13 HD1 TYR 13 10.143 4.843 -12.032 104 HE1 TYR 13 HE2 TYR 13 7.190 2.650 -8.766 105 HE2 TYR 13 HE1 TYR 13 8.899 6.201 -10.401 106 HH TYR 13 HH TYR 13 6.782 4.683 -7.983 107 H ARG 14 H ARG 14 10.414 -0.561 -11.245 108 HA ARG 14 HA ARG 14 9.839 -0.262 -8.543 109 HB2 ARG 14 2HB ARG 14 9.272 -2.154 -10.340 110 HB3 ARG 14 3HB ARG 14 10.594 -2.969 -9.517 111 HG2 ARG 14 2HG ARG 14 9.445 -2.882 -7.428 112 HG3 ARG 14 3HG ARG 14 8.191 -1.840 -8.105 113 HD2 ARG 14 2HD ARG 14 8.636 -4.425 -9.466 114 HD3 ARG 14 3HD ARG 14 7.932 -4.501 -7.852 115 HE ARG 14 HE ARG 14 6.509 -2.582 -9.253 116 HH11 ARG 14 1HH1 ARG 14 7.141 -5.998 -9.481 117 HH12 ARG 14 2HH1 ARG 14 5.626 -6.360 -10.242 118 HH21 ARG 14 1HH2 ARG 14 4.512 -3.046 -10.253 119 HH22 ARG 14 2HH2 ARG 14 4.132 -4.679 -10.681 120 H LEU 15 H LEU 15 12.833 -1.013 -10.118 121 HA LEU 15 HA LEU 15 14.142 -2.083 -7.804 122 HB2 LEU 15 2HB LEU 15 15.470 -0.896 -10.226 123 HB3 LEU 15 3HB LEU 15 16.118 -2.100 -9.114 124 HG LEU 15 HG LEU 15 13.873 -2.541 -11.083 125 HD11 LEU 15 1HD1 LEU 15 15.490 -3.990 -12.225 126 HD12 LEU 15 2HD1 LEU 15 16.737 -3.483 -11.086 127 HD13 LEU 15 3HD1 LEU 15 16.020 -2.308 -12.188 128 HD21 LEU 15 3HD2 LEU 15 15.296 -4.557 -9.353 129 HD22 LEU 15 1HD2 LEU 15 13.911 -4.829 -10.411 130 HD23 LEU 15 2HD2 LEU 15 13.730 -3.849 -8.955 131 H THR 16 H THR 16 13.351 -0.228 -6.438 132 HA THR 16 HA THR 16 15.358 1.929 -6.478 133 HB THR 16 HB THR 16 13.530 3.341 -5.348 134 HG1 THR 16 HG1 THR 16 11.456 2.675 -5.606 135 HG21 THR 16 3HG2 THR 16 14.000 4.200 -7.398 136 HG22 THR 16 1HG2 THR 16 12.392 3.578 -7.766 137 HG23 THR 16 2HG2 THR 16 13.821 2.645 -8.211 138 H SER 17 H SER 17 15.757 2.917 -4.360 139 HA SER 17 HA SER 17 16.276 0.980 -2.386 140 HB2 SER 17 2HB SER 17 17.318 3.373 -2.835 141 HB3 SER 17 3HB SER 17 16.115 3.871 -1.645 142 HG SER 17 HG SER 17 17.989 3.339 -0.561 143 H ARG 18 H ARG 18 13.612 3.195 -2.872 144 HA ARG 18 HA ARG 18 12.467 2.903 -0.284 145 HB2 ARG 18 2HB ARG 18 11.580 4.028 -2.900 146 HB3 ARG 18 3HB ARG 18 10.351 3.669 -1.694 147 HG2 ARG 18 2HG ARG 18 10.985 5.966 -1.496 148 HG3 ARG 18 3HG ARG 18 11.581 5.092 -0.084 149 HD2 ARG 18 2HD ARG 18 13.802 5.062 -0.942 150 HD3 ARG 18 3HD ARG 18 13.266 5.654 -2.514 151 HE ARG 18 HE ARG 18 13.269 7.790 -1.678 152 HH11 ARG 18 1HH1 ARG 18 13.490 5.518 0.951 153 HH12 ARG 18 2HH1 ARG 18 13.814 6.731 2.144 154 HH21 ARG 18 1HH2 ARG 18 13.695 9.397 -0.116 155 HH22 ARG 18 2HH2 ARG 18 13.930 8.937 1.536 156 H TYR 19 H TYR 19 11.614 1.511 -3.452 157 HA TYR 19 HA TYR 19 9.504 -0.086 -2.668 158 HB2 TYR 19 2HB TYR 19 9.998 0.160 -4.998 159 HB3 TYR 19 3HB TYR 19 11.600 -0.541 -4.795 160 HD1 TYR 19 HD2 TYR 19 7.977 -1.349 -4.587 161 HD2 TYR 19 HD1 TYR 19 11.932 -2.844 -5.065 162 HE1 TYR 19 HE2 TYR 19 7.067 -3.570 -5.126 163 HE2 TYR 19 HE1 TYR 19 11.033 -5.068 -5.606 164 HH TYR 19 HH TYR 19 7.600 -5.602 -6.052 165 H ARG 20 H ARG 20 12.932 -1.042 -2.891 166 HA ARG 20 HA ARG 20 12.662 -3.630 -1.909 167 HB2 ARG 20 2HB ARG 20 15.001 -1.743 -1.576 168 HB3 ARG 20 3HB ARG 20 15.058 -3.485 -1.345 169 HG2 ARG 20 2HG ARG 20 14.566 -3.853 -3.678 170 HG3 ARG 20 3HG ARG 20 14.365 -2.119 -3.936 171 HD2 ARG 20 2HD ARG 20 16.928 -3.156 -2.811 172 HD3 ARG 20 3HD ARG 20 16.620 -3.296 -4.541 173 HE ARG 20 HE ARG 20 16.108 -0.658 -3.689 174 HH11 ARG 20 1HH1 ARG 20 18.740 -2.864 -4.260 175 HH12 ARG 20 2HH1 ARG 20 19.880 -1.613 -4.631 176 HH21 ARG 20 1HH2 ARG 20 17.600 0.998 -4.174 177 HH22 ARG 20 2HH2 ARG 20 19.231 0.583 -4.580 178 H HIS 21 H HIS 21 12.620 -0.587 -0.250 179 HA HIS 21 HA HIS 21 13.070 -1.730 2.363 180 HB2 HIS 21 2HB HIS 21 13.543 0.718 1.460 181 HB3 HIS 21 3HB HIS 21 11.892 0.990 2.009 182 HD1 HIS 21 HD1 HIS 21 11.672 -0.247 4.640 183 HD2 HIS 21 HD2 HIS 21 15.226 1.513 3.403 184 HE1 HIS 21 HE1 HIS 21 12.930 0.282 6.752 185 H TYR 22 H TYR 22 10.373 -1.019 0.314 186 HA TYR 22 HA TYR 22 8.391 -1.027 2.382 187 HB2 TYR 22 2HB TYR 22 8.363 -1.009 -0.605 188 HB3 TYR 22 3HB TYR 22 6.893 -1.472 0.246 189 HD1 TYR 22 HD1 TYR 22 6.066 0.173 2.084 190 HD2 TYR 22 HD2 TYR 22 8.804 1.239 -0.993 191 HE1 TYR 22 HE1 TYR 22 5.504 2.544 2.413 192 HE2 TYR 22 HE2 TYR 22 8.250 3.613 -0.672 193 HH TYR 22 HH TYR 22 5.962 4.845 0.356 194 H ALA 23 H ALA 23 9.261 -3.349 -0.180 195 HA ALA 23 HA ALA 23 7.541 -5.402 0.643 196 HB1 ALA 23 1HB ALA 23 8.403 -6.548 -1.080 197 HB2 ALA 23 2HB ALA 23 9.227 -5.035 -1.460 198 HB3 ALA 23 3HB ALA 23 10.065 -6.292 -0.550 199 H ALA 24 H ALA 24 10.698 -4.439 1.773 200 HA ALA 24 HA ALA 24 11.227 -6.847 3.234 201 HB1 ALA 24 1HB ALA 24 12.522 -4.211 3.823 202 HB2 ALA 24 2HB ALA 24 13.200 -5.835 3.935 203 HB3 ALA 24 3HB ALA 24 12.913 -5.107 2.355 204 H PHE 25 H PHE 25 9.047 -4.399 3.707 205 HA PHE 25 HA PHE 25 8.944 -4.946 6.598 206 HB2 PHE 25 2HB PHE 25 8.709 -2.318 5.161 207 HB3 PHE 25 3HB PHE 25 7.922 -2.558 6.718 208 HD1 PHE 25 HD1 PHE 25 11.256 -3.171 5.152 209 HD2 PHE 25 HD2 PHE 25 9.077 -1.870 8.569 210 HE1 PHE 25 HE1 PHE 25 13.370 -2.644 6.295 211 HE2 PHE 25 HE2 PHE 25 11.187 -1.340 9.717 212 HZ PHE 25 HZ PHE 25 13.338 -1.726 8.580 213 H GLU 26 H GLU 26 7.454 -5.378 3.731 214 HA GLU 26 HA GLU 26 4.782 -5.413 4.974 215 HB2 GLU 26 2HB GLU 26 5.677 -4.324 2.382 216 HB3 GLU 26 3HB GLU 26 4.211 -5.292 2.318 217 HG2 GLU 26 2HG GLU 26 4.504 -3.105 4.334 218 HG3 GLU 26 3HG GLU 26 4.025 -2.749 2.676 219 H ARG 27 H ARG 27 7.040 -6.956 2.766 220 HA ARG 27 HA ARG 27 5.595 -9.479 3.146 221 HB2 ARG 27 2HB ARG 27 5.784 -10.066 0.814 222 HB3 ARG 27 3HB ARG 27 4.955 -8.521 0.945 223 HG2 ARG 27 2HG ARG 27 6.484 -7.505 -0.298 224 HG3 ARG 27 3HG ARG 27 7.804 -8.157 0.676 225 HD2 ARG 27 2HD ARG 27 7.455 -10.334 -0.588 226 HD3 ARG 27 3HD ARG 27 6.436 -9.409 -1.690 227 HE ARG 27 HE ARG 27 8.325 -8.538 -2.627 228 HH11 ARG 27 1HH1 ARG 27 9.122 -9.833 0.504 229 HH12 ARG 27 2HH1 ARG 27 10.827 -9.581 0.319 230 HH21 ARG 27 1HH2 ARG 27 10.567 -8.201 -2.883 231 HH22 ARG 27 2HH2 ARG 27 11.647 -8.652 -1.607 232 H ALA 28 H ALA 28 7.976 -8.444 4.392 233 HA ALA 28 HA ALA 28 10.278 -9.632 3.183 234 HB1 ALA 28 1HB ALA 28 10.706 -9.266 5.960 235 HB2 ALA 28 2HB ALA 28 11.293 -8.281 4.619 236 HB3 ALA 28 3HB ALA 28 9.746 -7.906 5.377 237 H THR 29 H THR 29 8.905 -10.365 6.386 238 HA THR 29 HA THR 29 9.659 -13.174 5.976 239 HB THR 29 HB THR 29 10.531 -11.859 7.988 240 HG1 THR 29 HG1 THR 29 10.644 -13.744 9.030 241 HG21 THR 29 3HG2 THR 29 8.283 -10.830 8.482 242 HG22 THR 29 1HG2 THR 29 9.095 -11.559 9.867 243 HG23 THR 29 2HG2 THR 29 7.772 -12.412 9.071 244 H PHE 30 H PHE 30 6.965 -11.058 6.568 245 HA PHE 30 HA PHE 30 5.174 -13.381 6.803 246 HB2 PHE 30 2HB PHE 30 3.513 -11.485 7.504 247 HB3 PHE 30 3HB PHE 30 4.706 -12.071 8.659 248 HD1 PHE 30 HD2 PHE 30 4.828 -9.621 5.845 249 HD2 PHE 30 HD1 PHE 30 5.456 -10.365 9.989 250 HE1 PHE 30 HE2 PHE 30 5.676 -7.328 6.125 251 HE2 PHE 30 HE1 PHE 30 6.304 -8.073 10.276 252 HZ PHE 30 HZ PHE 30 6.416 -6.552 8.342 Start of MODEL 15 1 H1 TYR 1 H TYR 1 0.548 -5.665 -4.407 2 HA TYR 1 HA TYR 1 1.314 -3.208 -2.979 3 HB2 TYR 1 2HB TYR 1 3.245 -4.755 -3.777 4 HB3 TYR 1 3HB TYR 1 2.841 -4.162 -5.384 5 HD1 TYR 1 HD2 TYR 1 3.501 -2.810 -1.959 6 HD2 TYR 1 HD1 TYR 1 3.997 -2.324 -6.157 7 HE1 TYR 1 HE2 TYR 1 4.875 -0.809 -1.560 8 HE2 TYR 1 HE1 TYR 1 5.373 -0.323 -5.769 9 HH TYR 1 HH TYR 1 5.427 1.458 -3.486 10 H ALA 2 H ALA 2 1.510 -1.314 -4.480 11 HA ALA 2 HA ALA 2 -0.862 -1.163 -6.103 12 HB1 ALA 2 1HB ALA 2 0.446 0.648 -4.582 13 HB2 ALA 2 2HB ALA 2 1.033 1.085 -6.187 14 HB3 ALA 2 3HB ALA 2 -0.699 1.068 -5.856 15 H GLU 3 H GLU 3 -0.846 -2.001 -8.087 16 HA GLU 3 HA GLU 3 1.433 -2.498 -9.639 17 HB2 GLU 3 2HB GLU 3 -1.502 -2.377 -10.231 18 HB3 GLU 3 3HB GLU 3 -0.354 -2.555 -11.549 19 HG2 GLU 3 2HG GLU 3 -0.984 -4.732 -11.030 20 HG3 GLU 3 3HG GLU 3 0.582 -4.532 -10.245 21 H LYS 4 H LYS 4 -0.638 0.305 -9.388 22 HA LYS 4 HA LYS 4 -0.040 1.670 -11.713 23 HB2 LYS 4 2HB LYS 4 -0.608 2.628 -8.918 24 HB3 LYS 4 3HB LYS 4 -0.318 3.761 -10.231 25 HG2 LYS 4 2HG LYS 4 -2.258 3.149 -11.355 26 HG3 LYS 4 3HG LYS 4 -2.394 1.620 -10.485 27 HD2 LYS 4 2HD LYS 4 -4.054 2.985 -9.547 28 HD3 LYS 4 3HD LYS 4 -2.724 3.048 -8.389 29 HE2 LYS 4 2HE LYS 4 -2.847 5.101 -10.543 30 HE3 LYS 4 3HE LYS 4 -3.962 5.237 -9.184 31 HZ1 LYS 4 3HZ LYS 4 -1.676 4.802 -7.902 32 HZ2 LYS 4 1HZ LYS 4 -2.247 6.349 -8.280 33 HZ3 LYS 4 2HZ LYS 4 -1.085 5.613 -9.263 34 H VAL 5 H VAL 5 1.928 1.175 -8.874 35 HA VAL 5 HA VAL 5 4.083 2.736 -10.145 36 HB VAL 5 HB VAL 5 3.799 2.217 -7.185 37 HG11 VAL 5 1HG1 VAL 5 6.059 2.605 -7.651 38 HG12 VAL 5 2HG1 VAL 5 5.692 3.836 -8.861 39 HG13 VAL 5 3HG1 VAL 5 5.443 4.178 -7.148 40 HG21 VAL 5 3HG2 VAL 5 3.430 4.882 -7.448 41 HG22 VAL 5 1HG2 VAL 5 2.635 4.299 -8.910 42 HG23 VAL 5 2HG2 VAL 5 2.116 3.712 -7.331 43 H ALA 6 H ALA 6 4.546 0.704 -11.286 44 HA ALA 6 HA ALA 6 6.509 -0.838 -9.812 45 HB1 ALA 6 1HB ALA 6 5.203 -2.894 -11.072 46 HB2 ALA 6 2HB ALA 6 5.094 -2.506 -9.354 47 HB3 ALA 6 3HB ALA 6 3.874 -1.900 -10.474 48 H GLN 7 H GLN 7 4.729 -1.488 -12.821 49 HA GLN 7 HA GLN 7 7.290 -1.343 -14.259 50 HB2 GLN 7 2HB GLN 7 6.430 -2.894 -15.833 51 HB3 GLN 7 3HB GLN 7 5.999 -3.519 -14.246 52 HG2 GLN 7 2HG GLN 7 3.738 -2.633 -14.510 53 HG3 GLN 7 3HG GLN 7 4.170 -2.011 -16.102 54 HE21 GLN 7 1HE2 GLN 7 4.726 -3.543 -17.752 55 HE22 GLN 7 2HE2 GLN 7 4.059 -5.136 -17.710 56 H GLU 8 H GLU 8 4.281 0.181 -13.870 57 HA GLU 8 HA GLU 8 3.666 1.180 -16.366 58 HB2 GLU 8 2HB GLU 8 3.330 2.247 -13.592 59 HB3 GLU 8 3HB GLU 8 2.933 3.277 -14.960 60 HG2 GLU 8 2HG GLU 8 1.531 1.232 -15.744 61 HG3 GLU 8 3HG GLU 8 1.632 0.755 -14.050 62 H LYS 9 H LYS 9 6.253 2.081 -14.214 63 HA LYS 9 HA LYS 9 6.996 4.322 -15.955 64 HB2 LYS 9 2HB LYS 9 6.865 4.413 -13.341 65 HB3 LYS 9 3HB LYS 9 8.438 3.630 -13.421 66 HG2 LYS 9 2HG LYS 9 9.477 5.481 -14.206 67 HG3 LYS 9 3HG LYS 9 8.057 6.038 -15.094 68 HD2 LYS 9 2HD LYS 9 7.137 6.300 -12.592 69 HD3 LYS 9 3HD LYS 9 8.861 6.524 -12.286 70 HE2 LYS 9 2HE LYS 9 8.107 8.684 -12.698 71 HE3 LYS 9 3HE LYS 9 8.768 8.185 -14.254 72 HZ1 LYS 9 3HZ LYS 9 6.027 7.477 -14.040 73 HZ2 LYS 9 1HZ LYS 9 6.794 8.441 -15.199 74 HZ3 LYS 9 2HZ LYS 9 6.232 9.133 -13.762 75 H GLY 10 H GLY 10 8.038 1.167 -14.875 76 HA2 GLY 10 2HA GLY 10 9.471 0.287 -16.910 77 HA3 GLY 10 3HA GLY 10 10.609 1.444 -16.237 78 H PHE 11 H PHE 11 11.462 -1.073 -16.391 79 HA PHE 11 HA PHE 11 10.865 -2.623 -14.062 80 HB2 PHE 11 2HB PHE 11 11.623 -3.689 -16.133 81 HB3 PHE 11 3HB PHE 11 13.160 -2.838 -16.021 82 HD1 PHE 11 HD1 PHE 11 11.016 -5.074 -13.940 83 HD2 PHE 11 HD2 PHE 11 14.946 -3.990 -15.165 84 HE1 PHE 11 HE1 PHE 11 11.939 -6.927 -12.610 85 HE2 PHE 11 HE2 PHE 11 15.874 -5.842 -13.838 86 HZ PHE 11 HZ PHE 11 14.371 -7.314 -12.558 87 H LEU 12 H LEU 12 13.820 -0.913 -15.100 88 HA LEU 12 HA LEU 12 15.296 -1.206 -12.787 89 HB2 LEU 12 2HB LEU 12 15.275 1.286 -14.475 90 HB3 LEU 12 3HB LEU 12 16.605 0.658 -13.503 91 HG LEU 12 HG LEU 12 15.521 -0.499 -16.068 92 HD11 LEU 12 1HD1 LEU 12 18.310 0.446 -15.496 93 HD12 LEU 12 2HD1 LEU 12 17.057 1.541 -16.081 94 HD13 LEU 12 3HD1 LEU 12 17.538 0.151 -17.054 95 HD21 LEU 12 3HD2 LEU 12 16.112 -2.296 -14.535 96 HD22 LEU 12 1HD2 LEU 12 17.686 -1.554 -14.251 97 HD23 LEU 12 2HD2 LEU 12 17.284 -2.184 -15.849 98 H TYR 13 H TYR 13 12.737 1.088 -13.502 99 HA TYR 13 HA TYR 13 13.067 2.923 -11.465 100 HB2 TYR 13 2HB TYR 13 11.389 3.307 -13.123 101 HB3 TYR 13 3HB TYR 13 10.547 1.818 -12.709 102 HD1 TYR 13 HD1 TYR 13 11.439 5.176 -11.394 103 HD2 TYR 13 HD2 TYR 13 8.844 1.818 -11.094 104 HE1 TYR 13 HE1 TYR 13 10.010 6.428 -9.833 105 HE2 TYR 13 HE2 TYR 13 7.407 3.061 -9.533 106 HH TYR 13 HH TYR 13 7.772 6.436 -8.987 107 H ARG 14 H ARG 14 11.087 -0.043 -11.354 108 HA ARG 14 HA ARG 14 10.267 0.097 -8.722 109 HB2 ARG 14 2HB ARG 14 9.944 -1.703 -10.728 110 HB3 ARG 14 3HB ARG 14 11.014 -2.601 -9.659 111 HG2 ARG 14 2HG ARG 14 9.453 -2.768 -8.004 112 HG3 ARG 14 3HG ARG 14 8.636 -1.276 -8.473 113 HD2 ARG 14 2HD ARG 14 7.109 -2.858 -9.152 114 HD3 ARG 14 3HD ARG 14 8.041 -2.619 -10.630 115 HE ARG 14 HE ARG 14 9.011 -4.747 -8.947 116 HH11 ARG 14 1HH1 ARG 14 6.839 -3.870 -11.522 117 HH12 ARG 14 2HH1 ARG 14 6.741 -5.477 -12.162 118 HH21 ARG 14 1HH2 ARG 14 8.890 -6.867 -9.780 119 HH22 ARG 14 2HH2 ARG 14 7.907 -7.181 -11.170 120 H LEU 15 H LEU 15 13.373 -0.816 -10.017 121 HA LEU 15 HA LEU 15 14.358 -1.963 -7.579 122 HB2 LEU 15 2HB LEU 15 16.035 -0.918 -9.840 123 HB3 LEU 15 3HB LEU 15 16.425 -2.194 -8.688 124 HG LEU 15 HG LEU 15 14.342 -2.395 -10.862 125 HD11 LEU 15 1HD1 LEU 15 15.876 -3.746 -12.066 126 HD12 LEU 15 2HD1 LEU 15 17.028 -3.744 -10.732 127 HD13 LEU 15 3HD1 LEU 15 16.727 -2.261 -11.637 128 HD21 LEU 15 3HD2 LEU 15 13.913 -3.755 -8.832 129 HD22 LEU 15 1HD2 LEU 15 15.482 -4.528 -9.062 130 HD23 LEU 15 2HD2 LEU 15 14.217 -4.723 -10.276 131 H THR 16 H THR 16 13.557 0.006 -6.349 132 HA THR 16 HA THR 16 15.762 1.949 -6.155 133 HB THR 16 HB THR 16 13.954 3.587 -5.338 134 HG1 THR 16 HG1 THR 16 11.887 3.105 -6.415 135 HG21 THR 16 3HG2 THR 16 14.920 4.223 -7.330 136 HG22 THR 16 1HG2 THR 16 13.250 3.982 -7.838 137 HG23 THR 16 2HG2 THR 16 14.456 2.735 -8.155 138 H SER 17 H SER 17 16.022 2.919 -4.032 139 HA SER 17 HA SER 17 16.090 1.065 -1.964 140 HB2 SER 17 2HB SER 17 17.246 3.430 -2.279 141 HB3 SER 17 3HB SER 17 15.891 3.969 -1.288 142 HG SER 17 HG SER 17 17.711 1.897 -0.610 143 H ARG 18 H ARG 18 13.709 3.598 -2.645 144 HA ARG 18 HA ARG 18 12.148 3.324 -0.349 145 HB2 ARG 18 2HB ARG 18 11.633 4.309 -3.124 146 HB3 ARG 18 3HB ARG 18 10.268 4.081 -2.039 147 HG2 ARG 18 2HG ARG 18 10.838 6.316 -1.767 148 HG3 ARG 18 3HG ARG 18 11.587 5.518 -0.382 149 HD2 ARG 18 2HD ARG 18 13.133 7.102 -1.365 150 HD3 ARG 18 3HD ARG 18 13.723 5.457 -1.596 151 HE ARG 18 HE ARG 18 12.250 6.163 -3.856 152 HH11 ARG 18 1HH1 ARG 18 15.189 7.091 -2.236 153 HH12 ARG 18 2HH1 ARG 18 15.982 7.603 -3.689 154 HH21 ARG 18 1HH2 ARG 18 13.283 6.834 -5.775 155 HH22 ARG 18 2HH2 ARG 18 14.896 7.458 -5.701 156 H TYR 19 H TYR 19 11.518 1.914 -3.569 157 HA TYR 19 HA TYR 19 9.376 0.303 -2.816 158 HB2 TYR 19 2HB TYR 19 9.805 0.673 -5.142 159 HB3 TYR 19 3HB TYR 19 11.416 -0.027 -5.019 160 HD1 TYR 19 HD2 TYR 19 7.814 -0.774 -5.101 161 HD2 TYR 19 HD1 TYR 19 11.744 -2.405 -5.075 162 HE1 TYR 19 HE2 TYR 19 6.901 -2.969 -5.731 163 HE2 TYR 19 HE1 TYR 19 10.842 -4.604 -5.706 164 HH TYR 19 HH TYR 19 8.070 -5.636 -5.319 165 H ARG 20 H ARG 20 12.807 -0.603 -3.156 166 HA ARG 20 HA ARG 20 12.590 -3.247 -2.330 167 HB2 ARG 20 2HB ARG 20 14.858 -1.274 -2.071 168 HB3 ARG 20 3HB ARG 20 15.015 -2.969 -1.628 169 HG2 ARG 20 2HG ARG 20 14.059 -3.290 -4.089 170 HG3 ARG 20 3HG ARG 20 14.821 -1.712 -4.298 171 HD2 ARG 20 2HD ARG 20 16.358 -3.518 -4.873 172 HD3 ARG 20 3HD ARG 20 16.932 -2.614 -3.473 173 HE ARG 20 HE ARG 20 15.397 -4.919 -2.750 174 HH11 ARG 20 1HH1 ARG 20 18.554 -3.806 -3.705 175 HH12 ARG 20 2HH1 ARG 20 19.390 -5.122 -2.948 176 HH21 ARG 20 1HH2 ARG 20 16.485 -6.655 -1.750 177 HH22 ARG 20 2HH2 ARG 20 18.212 -6.742 -1.837 178 H HIS 21 H HIS 21 12.491 -0.319 -0.484 179 HA HIS 21 HA HIS 21 12.913 -1.682 2.047 180 HB2 HIS 21 2HB HIS 21 12.552 1.166 1.203 181 HB3 HIS 21 3HB HIS 21 12.246 0.726 2.881 182 HD1 HIS 21 HD1 HIS 21 14.950 -1.177 1.270 183 HD2 HIS 21 HD2 HIS 21 14.565 2.322 3.476 184 HE1 HIS 21 HE1 HIS 21 17.279 -0.594 2.017 185 H TYR 22 H TYR 22 10.300 -0.609 0.046 186 HA TYR 22 HA TYR 22 8.299 -0.619 2.094 187 HB2 TYR 22 2HB TYR 22 8.229 -0.514 -0.910 188 HB3 TYR 22 3HB TYR 22 6.748 -0.702 0.022 189 HD1 TYR 22 HD2 TYR 22 7.056 1.048 2.275 190 HD2 TYR 22 HD1 TYR 22 8.324 1.638 -1.743 191 HE1 TYR 22 HE2 TYR 22 6.949 3.483 2.605 192 HE2 TYR 22 HE1 TYR 22 8.222 4.074 -1.424 193 HH TYR 22 HH TYR 22 6.647 5.533 1.104 194 H ALA 23 H ALA 23 8.979 -2.805 -0.642 195 HA ALA 23 HA ALA 23 7.117 -4.778 0.053 196 HB1 ALA 23 1HB ALA 23 9.470 -5.880 -1.222 197 HB2 ALA 23 2HB ALA 23 7.820 -5.733 -1.830 198 HB3 ALA 23 3HB ALA 23 8.944 -4.385 -1.996 199 H ALA 24 H ALA 24 10.344 -4.139 1.211 200 HA ALA 24 HA ALA 24 10.676 -6.688 2.494 201 HB1 ALA 24 1HB ALA 24 12.512 -5.090 1.670 202 HB2 ALA 24 2HB ALA 24 12.240 -4.226 3.184 203 HB3 ALA 24 3HB ALA 24 12.752 -5.913 3.211 204 H PHE 25 H PHE 25 8.707 -4.138 3.155 205 HA PHE 25 HA PHE 25 8.622 -4.829 6.012 206 HB2 PHE 25 2HB PHE 25 8.657 -2.102 4.756 207 HB3 PHE 25 3HB PHE 25 7.858 -2.357 6.304 208 HD1 PHE 25 HD2 PHE 25 11.101 -3.153 4.637 209 HD2 PHE 25 HD1 PHE 25 9.088 -1.991 8.202 210 HE1 PHE 25 HE2 PHE 25 13.266 -2.934 5.784 211 HE2 PHE 25 HE1 PHE 25 11.250 -1.770 9.355 212 HZ PHE 25 HZ PHE 25 13.343 -2.243 8.146 213 H GLU 26 H GLU 26 7.054 -5.003 3.192 214 HA GLU 26 HA GLU 26 4.411 -4.781 4.474 215 HB2 GLU 26 2HB GLU 26 5.375 -3.724 1.884 216 HB3 GLU 26 3HB GLU 26 3.788 -4.479 1.861 217 HG2 GLU 26 2HG GLU 26 4.491 -2.385 3.883 218 HG3 GLU 26 3HG GLU 26 3.925 -1.961 2.268 219 H ARG 27 H ARG 27 6.453 -6.464 2.158 220 HA ARG 27 HA ARG 27 4.706 -8.811 2.425 221 HB2 ARG 27 2HB ARG 27 5.183 -9.344 0.023 222 HB3 ARG 27 3HB ARG 27 4.169 -7.928 0.267 223 HG2 ARG 27 2HG ARG 27 5.582 -7.094 -1.295 224 HG3 ARG 27 3HG ARG 27 6.509 -6.693 0.152 225 HD2 ARG 27 2HD ARG 27 7.920 -7.712 -1.568 226 HD3 ARG 27 3HD ARG 27 7.838 -8.713 -0.119 227 HE ARG 27 HE ARG 27 5.898 -9.454 -2.088 228 HH11 ARG 27 1HH1 ARG 27 9.224 -9.802 -1.120 229 HH12 ARG 27 2HH1 ARG 27 9.434 -11.324 -1.919 230 HH21 ARG 27 1HH2 ARG 27 6.162 -11.459 -3.144 231 HH22 ARG 27 2HH2 ARG 27 7.692 -12.266 -3.071 232 H ALA 28 H ALA 28 7.372 -7.842 3.525 233 HA ALA 28 HA ALA 28 9.467 -9.365 2.455 234 HB1 ALA 28 1HB ALA 28 10.513 -8.073 3.929 235 HB2 ALA 28 2HB ALA 28 9.013 -7.747 4.798 236 HB3 ALA 28 3HB ALA 28 9.967 -9.178 5.191 237 H THR 29 H THR 29 8.044 -10.051 5.637 238 HA THR 29 HA THR 29 8.423 -12.913 5.105 239 HB THR 29 HB THR 29 9.454 -11.795 7.160 240 HG1 THR 29 HG1 THR 29 9.497 -13.820 7.741 241 HG21 THR 29 3HG2 THR 29 6.671 -12.067 8.278 242 HG22 THR 29 1HG2 THR 29 7.312 -10.535 7.686 243 HG23 THR 29 2HG2 THR 29 8.089 -11.350 9.043 244 H PHE 30 H PHE 30 6.009 -10.509 5.800 245 HA PHE 30 HA PHE 30 3.949 -12.604 5.949 246 HB2 PHE 30 2HB PHE 30 2.534 -10.551 6.747 247 HB3 PHE 30 3HB PHE 30 3.646 -11.334 7.865 248 HD1 PHE 30 HD2 PHE 30 4.075 -8.792 5.166 249 HD2 PHE 30 HD1 PHE 30 4.599 -9.796 9.269 250 HE1 PHE 30 HE2 PHE 30 5.202 -6.638 5.546 251 HE2 PHE 30 HE1 PHE 30 5.725 -7.643 9.656 252 HZ PHE 30 HZ PHE 30 6.029 -6.061 7.793 Start of MODEL 16 1 H1 TYR 1 H TYR 1 -0.917 -4.373 -4.459 2 HA TYR 1 HA TYR 1 0.872 -3.017 -3.039 3 HB2 TYR 1 2HB TYR 1 1.213 -5.213 -4.295 4 HB3 TYR 1 3HB TYR 1 1.735 -4.233 -5.661 5 HD1 TYR 1 HD2 TYR 1 3.647 -2.517 -5.150 6 HD2 TYR 1 HD1 TYR 1 2.784 -5.917 -2.743 7 HE1 TYR 1 HE2 TYR 1 5.924 -2.432 -4.225 8 HE2 TYR 1 HE1 TYR 1 5.058 -5.841 -1.810 9 HH TYR 1 HH TYR 1 7.395 -4.856 -2.735 10 H ALA 2 H ALA 2 0.934 -2.657 -6.588 11 HA ALA 2 HA ALA 2 2.089 0.017 -6.226 12 HB1 ALA 2 1HB ALA 2 3.129 -1.854 -7.703 13 HB2 ALA 2 2HB ALA 2 1.909 -1.353 -8.875 14 HB3 ALA 2 3HB ALA 2 3.100 -0.191 -8.290 15 H GLU 3 H GLU 3 1.279 1.814 -7.375 16 HA GLU 3 HA GLU 3 -1.516 1.510 -8.259 17 HB2 GLU 3 2HB GLU 3 -0.312 4.031 -7.123 18 HB3 GLU 3 3HB GLU 3 -2.012 3.674 -7.392 19 HG2 GLU 3 2HG GLU 3 -1.650 1.770 -5.694 20 HG3 GLU 3 3HG GLU 3 -0.189 2.653 -5.255 21 H LYS 4 H LYS 4 -0.210 1.010 -10.314 22 HA LYS 4 HA LYS 4 0.430 1.597 -12.418 23 HB2 LYS 4 2HB LYS 4 -1.288 3.950 -11.648 24 HB3 LYS 4 3HB LYS 4 -0.560 3.813 -13.243 25 HG2 LYS 4 2HG LYS 4 -2.602 2.894 -13.654 26 HG3 LYS 4 3HG LYS 4 -1.702 1.445 -13.200 27 HD2 LYS 4 2HD LYS 4 -2.725 1.296 -11.136 28 HD3 LYS 4 3HD LYS 4 -3.120 3.016 -11.092 29 HE2 LYS 4 2HE LYS 4 -4.384 1.049 -12.993 30 HE3 LYS 4 3HE LYS 4 -5.076 1.485 -11.431 31 HZ1 LYS 4 3HZ LYS 4 -4.368 3.660 -13.250 32 HZ2 LYS 4 1HZ LYS 4 -5.652 3.541 -12.154 33 HZ3 LYS 4 2HZ LYS 4 -5.730 2.735 -13.639 34 H VAL 5 H VAL 5 2.277 2.157 -10.322 35 HA VAL 5 HA VAL 5 3.618 4.566 -11.365 36 HB VAL 5 HB VAL 5 3.035 4.728 -8.978 37 HG11 VAL 5 1HG1 VAL 5 3.999 3.286 -7.329 38 HG12 VAL 5 2HG1 VAL 5 3.185 2.278 -8.527 39 HG13 VAL 5 3HG1 VAL 5 4.942 2.434 -8.552 40 HG21 VAL 5 3HG2 VAL 5 5.371 5.198 -8.145 41 HG22 VAL 5 1HG2 VAL 5 5.957 4.552 -9.677 42 HG23 VAL 5 2HG2 VAL 5 4.928 5.984 -9.660 43 H ALA 6 H ALA 6 3.936 1.175 -10.597 44 HA ALA 6 HA ALA 6 6.764 1.145 -11.288 45 HB1 ALA 6 1HB ALA 6 5.120 -0.436 -9.650 46 HB2 ALA 6 2HB ALA 6 5.652 -1.477 -10.971 47 HB3 ALA 6 3HB ALA 6 6.841 -0.641 -9.973 48 H GLN 7 H GLN 7 3.913 -0.727 -12.351 49 HA GLN 7 HA GLN 7 5.011 -1.821 -14.636 50 HB2 GLN 7 2HB GLN 7 2.801 -2.302 -15.349 51 HB3 GLN 7 3HB GLN 7 2.768 -2.349 -13.591 52 HG2 GLN 7 2HG GLN 7 1.795 -0.126 -13.530 53 HG3 GLN 7 3HG GLN 7 1.871 -0.031 -15.288 54 HE21 GLN 7 1HE2 GLN 7 0.736 -2.379 -12.875 55 HE22 GLN 7 2HE2 GLN 7 -0.802 -2.651 -13.615 56 H GLU 8 H GLU 8 3.744 1.392 -14.111 57 HA GLU 8 HA GLU 8 3.607 2.123 -16.866 58 HB2 GLU 8 2HB GLU 8 2.521 3.204 -14.704 59 HB3 GLU 8 3HB GLU 8 3.988 4.173 -14.732 60 HG2 GLU 8 2HG GLU 8 3.404 4.674 -17.164 61 HG3 GLU 8 3HG GLU 8 1.811 4.020 -16.785 62 H LYS 9 H LYS 9 5.899 2.945 -14.264 63 HA LYS 9 HA LYS 9 7.706 4.402 -15.793 64 HB2 LYS 9 2HB LYS 9 8.009 2.758 -13.295 65 HB3 LYS 9 3HB LYS 9 9.400 3.547 -14.026 66 HG2 LYS 9 2HG LYS 9 6.938 5.125 -13.421 67 HG3 LYS 9 3HG LYS 9 8.086 4.737 -12.137 68 HD2 LYS 9 2HD LYS 9 9.872 5.819 -13.360 69 HD3 LYS 9 3HD LYS 9 8.796 6.115 -14.727 70 HE2 LYS 9 2HE LYS 9 8.105 7.156 -12.008 71 HE3 LYS 9 3HE LYS 9 9.266 8.017 -13.017 72 HZ1 LYS 9 3HZ LYS 9 6.868 8.727 -13.201 73 HZ2 LYS 9 1HZ LYS 9 6.576 7.263 -13.997 74 HZ3 LYS 9 2HZ LYS 9 7.653 8.386 -14.660 75 H GLY 10 H GLY 10 8.390 1.099 -14.638 76 HA2 GLY 10 2HA GLY 10 8.790 -0.207 -17.008 77 HA3 GLY 10 3HA GLY 10 10.289 0.673 -16.749 78 H PHE 11 H PHE 11 11.552 -1.146 -16.463 79 HA PHE 11 HA PHE 11 10.850 -2.973 -14.290 80 HB2 PHE 11 2HB PHE 11 11.553 -3.919 -16.475 81 HB3 PHE 11 3HB PHE 11 13.122 -3.144 -16.280 82 HD1 PHE 11 HD1 PHE 11 10.845 -5.381 -14.344 83 HD2 PHE 11 HD2 PHE 11 14.833 -4.451 -15.505 84 HE1 PHE 11 HE1 PHE 11 11.659 -7.351 -13.115 85 HE2 PHE 11 HE2 PHE 11 15.653 -6.420 -14.279 86 HZ PHE 11 HZ PHE 11 14.066 -7.873 -13.082 87 H LEU 12 H LEU 12 13.762 -1.234 -15.402 88 HA LEU 12 HA LEU 12 15.316 -1.571 -13.145 89 HB2 LEU 12 2HB LEU 12 15.241 0.930 -14.818 90 HB3 LEU 12 3HB LEU 12 16.596 0.320 -13.871 91 HG LEU 12 HG LEU 12 15.464 -0.915 -16.381 92 HD11 LEU 12 1HD1 LEU 12 18.185 -0.322 -16.640 93 HD12 LEU 12 2HD1 LEU 12 17.451 1.103 -15.906 94 HD13 LEU 12 3HD1 LEU 12 16.829 0.479 -17.434 95 HD21 LEU 12 3HD2 LEU 12 16.208 -2.701 -15.017 96 HD22 LEU 12 1HD2 LEU 12 17.642 -1.810 -14.508 97 HD23 LEU 12 2HD2 LEU 12 17.505 -2.384 -16.170 98 H TYR 13 H TYR 13 12.712 0.699 -13.723 99 HA TYR 13 HA TYR 13 13.114 2.537 -11.703 100 HB2 TYR 13 2HB TYR 13 11.344 2.876 -13.282 101 HB3 TYR 13 3HB TYR 13 10.544 1.385 -12.796 102 HD1 TYR 13 HD2 TYR 13 11.529 4.740 -11.517 103 HD2 TYR 13 HD1 TYR 13 8.884 1.427 -11.156 104 HE1 TYR 13 HE2 TYR 13 10.181 6.000 -9.892 105 HE2 TYR 13 HE1 TYR 13 7.528 2.679 -9.531 106 HH TYR 13 HH TYR 13 7.679 4.518 -8.036 107 H ARG 14 H ARG 14 11.322 -0.534 -11.505 108 HA ARG 14 HA ARG 14 10.595 -0.392 -8.825 109 HB2 ARG 14 2HB ARG 14 10.991 -2.603 -10.780 110 HB3 ARG 14 3HB ARG 14 10.861 -3.033 -9.079 111 HG2 ARG 14 2HG ARG 14 8.671 -2.429 -8.947 112 HG3 ARG 14 3HG ARG 14 8.820 -1.197 -10.202 113 HD2 ARG 14 2HD ARG 14 8.598 -2.726 -11.916 114 HD3 ARG 14 3HD ARG 14 9.149 -4.074 -10.922 115 HE ARG 14 HE ARG 14 6.798 -3.313 -9.775 116 HH11 ARG 14 1HH1 ARG 14 7.766 -4.250 -12.986 117 HH12 ARG 14 2HH1 ARG 14 6.226 -4.931 -13.392 118 HH21 ARG 14 1HH2 ARG 14 4.766 -4.207 -10.299 119 HH22 ARG 14 2HH2 ARG 14 4.520 -4.905 -11.864 120 H LEU 15 H LEU 15 13.664 -1.089 -10.276 121 HA LEU 15 HA LEU 15 14.814 -2.275 -7.919 122 HB2 LEU 15 2HB LEU 15 16.247 -1.146 -10.314 123 HB3 LEU 15 3HB LEU 15 16.874 -2.300 -9.139 124 HG LEU 15 HG LEU 15 14.698 -2.827 -11.162 125 HD11 LEU 15 1HD1 LEU 15 16.320 -4.280 -12.221 126 HD12 LEU 15 2HD1 LEU 15 17.524 -3.864 -11.002 127 HD13 LEU 15 3HD1 LEU 15 16.949 -2.635 -12.128 128 HD21 LEU 15 3HD2 LEU 15 16.031 -4.773 -9.289 129 HD22 LEU 15 1HD2 LEU 15 14.681 -5.078 -10.383 130 HD23 LEU 15 2HD2 LEU 15 14.459 -4.033 -8.980 131 H THR 16 H THR 16 13.823 -0.170 -6.832 132 HA THR 16 HA THR 16 16.040 1.759 -6.592 133 HB THR 16 HB THR 16 14.120 3.325 -5.747 134 HG1 THR 16 HG1 THR 16 12.623 1.382 -6.129 135 HG21 THR 16 3HG2 THR 16 15.472 3.795 -7.710 136 HG22 THR 16 1HG2 THR 16 13.778 4.146 -8.052 137 HG23 THR 16 2HG2 THR 16 14.514 2.667 -8.669 138 H SER 17 H SER 17 16.332 2.715 -4.490 139 HA SER 17 HA SER 17 16.426 0.916 -2.399 140 HB2 SER 17 2HB SER 17 17.481 3.324 -2.726 141 HB3 SER 17 3HB SER 17 16.094 3.816 -1.753 142 HG SER 17 HG SER 17 18.216 3.109 -0.708 143 H ARG 18 H ARG 18 13.983 3.422 -3.013 144 HA ARG 18 HA ARG 18 12.414 3.096 -0.764 145 HB2 ARG 18 2HB ARG 18 11.888 3.996 -3.555 146 HB3 ARG 18 3HB ARG 18 10.501 3.667 -2.524 147 HG2 ARG 18 2HG ARG 18 11.109 6.020 -2.469 148 HG3 ARG 18 3HG ARG 18 11.321 5.270 -0.886 149 HD2 ARG 18 2HD ARG 18 13.722 5.050 -1.320 150 HD3 ARG 18 3HD ARG 18 13.504 5.807 -2.897 151 HE ARG 18 HE ARG 18 12.476 7.570 -1.032 152 HH11 ARG 18 1HH1 ARG 18 15.552 6.108 -1.756 153 HH12 ARG 18 2HH1 ARG 18 16.476 7.441 -1.148 154 HH21 ARG 18 1HH2 ARG 18 13.683 9.332 -0.228 155 HH22 ARG 18 2HH2 ARG 18 15.412 9.274 -0.278 156 H TYR 19 H TYR 19 12.107 1.404 -3.882 157 HA TYR 19 HA TYR 19 9.928 -0.196 -3.274 158 HB2 TYR 19 2HB TYR 19 10.737 -0.108 -5.526 159 HB3 TYR 19 3HB TYR 19 12.313 -0.731 -5.049 160 HD1 TYR 19 HD1 TYR 19 8.731 -1.638 -5.372 161 HD2 TYR 19 HD2 TYR 19 12.726 -3.050 -4.988 162 HE1 TYR 19 HE1 TYR 19 7.962 -3.925 -5.851 163 HE2 TYR 19 HE2 TYR 19 11.969 -5.341 -5.467 164 HH TYR 19 HH TYR 19 10.227 -6.570 -6.293 165 H ARG 20 H ARG 20 13.380 -0.868 -2.768 166 HA ARG 20 HA ARG 20 13.209 -3.444 -1.785 167 HB2 ARG 20 2HB ARG 20 15.089 -1.326 -0.736 168 HB3 ARG 20 3HB ARG 20 15.343 -3.066 -0.736 169 HG2 ARG 20 2HG ARG 20 15.032 -2.711 -3.354 170 HG3 ARG 20 3HG ARG 20 15.627 -1.104 -2.929 171 HD2 ARG 20 2HD ARG 20 17.011 -3.603 -2.006 172 HD3 ARG 20 3HD ARG 20 17.349 -2.884 -3.579 173 HE ARG 20 HE ARG 20 17.603 -0.842 -1.750 174 HH11 ARG 20 1HH1 ARG 20 19.084 -3.944 -2.301 175 HH12 ARG 20 2HH1 ARG 20 20.612 -3.480 -1.629 176 HH21 ARG 20 1HH2 ARG 20 19.610 -0.219 -0.862 177 HH22 ARG 20 2HH2 ARG 20 20.909 -1.361 -0.810 178 H HIS 21 H HIS 21 13.045 -0.402 0.055 179 HA HIS 21 HA HIS 21 12.730 -1.486 2.595 180 HB2 HIS 21 2HB HIS 21 11.855 1.102 1.348 181 HB3 HIS 21 3HB HIS 21 11.404 0.717 3.007 182 HD1 HIS 21 HD1 HIS 21 14.746 -0.414 1.871 183 HD2 HIS 21 HD2 HIS 21 13.093 2.834 3.867 184 HE1 HIS 21 HE1 HIS 21 16.691 0.807 2.896 185 H TYR 22 H TYR 22 10.223 -0.549 0.251 186 HA TYR 22 HA TYR 22 7.971 -1.129 1.732 187 HB2 TYR 22 2HB TYR 22 8.550 -1.274 -1.211 188 HB3 TYR 22 3HB TYR 22 6.974 -1.753 -0.589 189 HD1 TYR 22 HD1 TYR 22 5.833 0.010 1.007 190 HD2 TYR 22 HD2 TYR 22 8.880 0.933 -1.816 191 HE1 TYR 22 HE1 TYR 22 5.115 2.362 1.011 192 HE2 TYR 22 HE2 TYR 22 8.172 3.288 -1.819 193 HH TYR 22 HH TYR 22 5.699 4.466 -1.202 194 H ALA 23 H ALA 23 9.733 -3.339 -0.437 195 HA ALA 23 HA ALA 23 8.161 -5.610 0.131 196 HB1 ALA 23 1HB ALA 23 9.697 -6.831 -1.122 197 HB2 ALA 23 2HB ALA 23 9.811 -5.207 -1.802 198 HB3 ALA 23 3HB ALA 23 11.042 -5.781 -0.677 199 H ALA 24 H ALA 24 10.836 -4.130 1.784 200 HA ALA 24 HA ALA 24 11.441 -6.422 3.416 201 HB1 ALA 24 1HB ALA 24 12.390 -3.957 4.542 202 HB2 ALA 24 2HB ALA 24 13.305 -5.296 3.847 203 HB3 ALA 24 3HB ALA 24 12.712 -4.001 2.808 204 H PHE 25 H PHE 25 8.921 -4.271 3.382 205 HA PHE 25 HA PHE 25 8.407 -4.698 6.250 206 HB2 PHE 25 2HB PHE 25 8.016 -2.231 4.583 207 HB3 PHE 25 3HB PHE 25 7.017 -2.512 6.005 208 HD1 PHE 25 HD2 PHE 25 10.634 -2.711 5.093 209 HD2 PHE 25 HD1 PHE 25 7.703 -1.476 7.923 210 HE1 PHE 25 HE2 PHE 25 12.408 -1.777 6.518 211 HE2 PHE 25 HE1 PHE 25 9.473 -0.539 9.352 212 HZ PHE 25 HZ PHE 25 11.830 -0.690 8.651 213 H GLU 26 H GLU 26 7.464 -5.392 3.161 214 HA GLU 26 HA GLU 26 4.686 -5.893 4.011 215 HB2 GLU 26 2HB GLU 26 5.782 -4.831 1.450 216 HB3 GLU 26 3HB GLU 26 4.367 -5.871 1.373 217 HG2 GLU 26 2HG GLU 26 4.337 -3.621 3.306 218 HG3 GLU 26 3HG GLU 26 4.169 -3.250 1.591 219 H ARG 27 H ARG 27 7.558 -7.104 2.471 220 HA ARG 27 HA ARG 27 6.478 -9.810 2.637 221 HB2 ARG 27 2HB ARG 27 7.465 -8.493 0.123 222 HB3 ARG 27 3HB ARG 27 7.591 -10.234 0.335 223 HG2 ARG 27 2HG ARG 27 4.986 -8.789 0.670 224 HG3 ARG 27 3HG ARG 27 5.558 -9.336 -0.907 225 HD2 ARG 27 2HD ARG 27 5.814 -11.630 0.144 226 HD3 ARG 27 3HD ARG 27 4.905 -10.995 1.515 227 HE ARG 27 HE ARG 27 3.518 -10.515 -0.904 228 HH11 ARG 27 1HH1 ARG 27 4.329 -13.054 1.335 229 HH12 ARG 27 2HH1 ARG 27 2.928 -14.004 0.968 230 HH21 ARG 27 1HH2 ARG 27 1.668 -11.756 -1.396 231 HH22 ARG 27 2HH2 ARG 27 1.415 -13.265 -0.586 232 H ALA 28 H ALA 28 8.293 -8.644 4.351 233 HA ALA 28 HA ALA 28 10.965 -9.431 3.525 234 HB1 ALA 28 1HB ALA 28 11.508 -7.763 4.884 235 HB2 ALA 28 2HB ALA 28 9.852 -7.652 5.483 236 HB3 ALA 28 3HB ALA 28 10.993 -8.760 6.246 237 H THR 29 H THR 29 9.291 -10.025 6.603 238 HA THR 29 HA THR 29 10.485 -12.692 6.680 239 HB THR 29 HB THR 29 10.575 -11.035 8.645 240 HG1 THR 29 HG1 THR 29 11.068 -12.823 9.648 241 HG21 THR 29 3HG2 THR 29 8.705 -10.908 10.100 242 HG22 THR 29 1HG2 THR 29 7.823 -12.133 9.189 243 HG23 THR 29 2HG2 THR 29 8.096 -10.538 8.487 244 H PHE 30 H PHE 30 7.435 -11.117 6.266 245 HA PHE 30 HA PHE 30 5.592 -12.975 7.075 246 HB2 PHE 30 2HB PHE 30 5.391 -11.512 4.442 247 HB3 PHE 30 3HB PHE 30 4.073 -12.038 5.483 248 HD1 PHE 30 HD2 PHE 30 4.185 -11.039 7.940 249 HD2 PHE 30 HD1 PHE 30 5.989 -9.302 4.498 250 HE1 PHE 30 HE2 PHE 30 4.188 -8.845 9.053 251 HE2 PHE 30 HE1 PHE 30 5.997 -7.105 5.607 252 HZ PHE 30 HZ PHE 30 5.094 -6.874 7.887 Start of MODEL 17 1 H1 TYR 1 H TYR 1 -0.857 -1.296 -2.819 2 HA TYR 1 HA TYR 1 1.691 -1.356 -3.470 3 HB2 TYR 1 2HB TYR 1 0.785 -3.140 -2.148 4 HB3 TYR 1 3HB TYR 1 -0.149 -3.752 -3.510 5 HD1 TYR 1 HD1 TYR 1 3.173 -3.563 -1.980 6 HD2 TYR 1 HD2 TYR 1 0.916 -5.049 -5.267 7 HE1 TYR 1 HE1 TYR 1 5.028 -5.068 -2.565 8 HE2 TYR 1 HE2 TYR 1 2.765 -6.559 -5.861 9 HH TYR 1 HH TYR 1 4.849 -7.633 -4.262 10 H ALA 2 H ALA 2 -0.871 -2.088 -5.730 11 HA ALA 2 HA ALA 2 1.095 -2.021 -7.906 12 HB1 ALA 2 1HB ALA 2 -1.141 -4.038 -7.810 13 HB2 ALA 2 2HB ALA 2 0.133 -3.904 -9.023 14 HB3 ALA 2 3HB ALA 2 0.531 -4.392 -7.376 15 H GLU 3 H GLU 3 0.428 0.053 -8.455 16 HA GLU 3 HA GLU 3 -1.879 0.197 -10.135 17 HB2 GLU 3 2HB GLU 3 -2.866 0.489 -7.847 18 HB3 GLU 3 3HB GLU 3 -1.894 1.943 -7.670 19 HG2 GLU 3 2HG GLU 3 -3.033 2.756 -9.802 20 HG3 GLU 3 3HG GLU 3 -4.178 1.440 -9.542 21 H LYS 4 H LYS 4 0.625 1.949 -8.366 22 HA LYS 4 HA LYS 4 1.383 3.324 -10.803 23 HB2 LYS 4 2HB LYS 4 0.263 4.733 -8.400 24 HB3 LYS 4 3HB LYS 4 1.445 5.532 -9.429 25 HG2 LYS 4 2HG LYS 4 -0.135 4.942 -11.362 26 HG3 LYS 4 3HG LYS 4 -1.333 4.641 -10.101 27 HD2 LYS 4 2HD LYS 4 -1.723 6.861 -10.620 28 HD3 LYS 4 3HD LYS 4 -0.630 6.993 -9.241 29 HE2 LYS 4 2HE LYS 4 0.190 8.516 -10.836 30 HE3 LYS 4 3HE LYS 4 1.255 7.115 -10.938 31 HZ1 LYS 4 3HZ LYS 4 0.547 8.008 -13.120 32 HZ2 LYS 4 1HZ LYS 4 -1.048 7.580 -12.751 33 HZ3 LYS 4 2HZ LYS 4 0.137 6.382 -12.896 34 H VAL 5 H VAL 5 2.480 1.359 -8.846 35 HA VAL 5 HA VAL 5 5.140 2.344 -8.778 36 HB VAL 5 HB VAL 5 4.192 3.588 -6.836 37 HG11 VAL 5 1HG1 VAL 5 4.023 0.933 -5.440 38 HG12 VAL 5 2HG1 VAL 5 3.434 2.504 -4.893 39 HG13 VAL 5 3HG1 VAL 5 2.627 1.673 -6.223 40 HG21 VAL 5 3HG2 VAL 5 6.613 2.586 -7.096 41 HG22 VAL 5 1HG2 VAL 5 6.113 3.381 -5.604 42 HG23 VAL 5 2HG2 VAL 5 6.121 1.621 -5.705 43 H ALA 6 H ALA 6 6.658 0.754 -8.141 44 HA ALA 6 HA ALA 6 7.474 -1.358 -7.912 45 HB1 ALA 6 1HB ALA 6 6.384 -2.872 -6.426 46 HB2 ALA 6 2HB ALA 6 6.164 -1.243 -5.786 47 HB3 ALA 6 3HB ALA 6 4.838 -2.046 -6.627 48 H GLN 7 H GLN 7 7.577 -1.860 -10.087 49 HA GLN 7 HA GLN 7 7.165 -3.061 -11.975 50 HB2 GLN 7 2HB GLN 7 6.745 -4.854 -10.211 51 HB3 GLN 7 3HB GLN 7 5.031 -4.529 -10.433 52 HG2 GLN 7 2HG GLN 7 5.077 -5.275 -12.668 53 HG3 GLN 7 3HG GLN 7 6.839 -5.277 -12.708 54 HE21 GLN 7 1HE2 GLN 7 4.121 -6.748 -10.976 55 HE22 GLN 7 2HE2 GLN 7 4.847 -8.306 -10.807 56 H GLU 8 H GLU 8 5.395 -0.724 -10.991 57 HA GLU 8 HA GLU 8 3.340 -1.061 -13.073 58 HB2 GLU 8 2HB GLU 8 3.039 0.137 -10.322 59 HB3 GLU 8 3HB GLU 8 1.897 0.455 -11.620 60 HG2 GLU 8 2HG GLU 8 2.449 -2.382 -11.199 61 HG3 GLU 8 3HG GLU 8 1.714 -1.576 -9.814 62 H LYS 9 H LYS 9 6.059 0.246 -12.920 63 HA LYS 9 HA LYS 9 5.219 2.805 -14.068 64 HB2 LYS 9 2HB LYS 9 6.974 2.416 -11.705 65 HB3 LYS 9 3HB LYS 9 7.480 3.628 -12.875 66 HG2 LYS 9 2HG LYS 9 5.088 4.538 -12.662 67 HG3 LYS 9 3HG LYS 9 5.000 3.553 -11.200 68 HD2 LYS 9 2HD LYS 9 6.449 4.876 -10.059 69 HD3 LYS 9 3HD LYS 9 7.392 5.268 -11.499 70 HE2 LYS 9 2HE LYS 9 4.615 6.319 -11.279 71 HE3 LYS 9 3HE LYS 9 5.880 7.072 -10.310 72 HZ1 LYS 9 3HZ LYS 9 5.505 7.077 -13.203 73 HZ2 LYS 9 1HZ LYS 9 7.099 7.021 -12.640 74 HZ3 LYS 9 2HZ LYS 9 6.087 8.297 -12.185 75 H GLY 10 H GLY 10 7.844 0.480 -13.553 76 HA2 GLY 10 2HA GLY 10 8.518 0.165 -16.215 77 HA3 GLY 10 3HA GLY 10 9.503 1.499 -15.633 78 H PHE 11 H PHE 11 10.409 -1.071 -16.578 79 HA PHE 11 HA PHE 11 11.065 -2.863 -14.549 80 HB2 PHE 11 2HB PHE 11 11.374 -3.080 -17.103 81 HB3 PHE 11 3HB PHE 11 12.919 -2.276 -16.845 82 HD1 PHE 11 HD1 PHE 11 14.316 -3.351 -14.820 83 HD2 PHE 11 HD2 PHE 11 11.397 -5.364 -17.174 84 HE1 PHE 11 HE1 PHE 11 15.344 -5.511 -14.242 85 HE2 PHE 11 HE2 PHE 11 12.419 -7.527 -16.599 86 HZ PHE 11 HZ PHE 11 14.395 -7.602 -15.131 87 H LEU 12 H LEU 12 13.219 -0.392 -15.963 88 HA LEU 12 HA LEU 12 15.265 -0.627 -14.091 89 HB2 LEU 12 2HB LEU 12 14.463 1.909 -15.501 90 HB3 LEU 12 3HB LEU 12 16.058 1.495 -14.876 91 HG LEU 12 HG LEU 12 14.867 -0.232 -16.991 92 HD11 LEU 12 1HD1 LEU 12 16.194 1.440 -18.554 93 HD12 LEU 12 2HD1 LEU 12 15.696 2.599 -17.322 94 HD13 LEU 12 3HD1 LEU 12 14.482 1.662 -18.193 95 HD21 LEU 12 3HD2 LEU 12 17.567 0.520 -15.979 96 HD22 LEU 12 1HD2 LEU 12 17.397 -0.006 -17.654 97 HD23 LEU 12 2HD2 LEU 12 16.898 -1.073 -16.341 98 H TYR 13 H TYR 13 12.351 1.360 -14.043 99 HA TYR 13 HA TYR 13 12.886 3.023 -11.909 100 HB2 TYR 13 2HB TYR 13 10.877 3.343 -13.160 101 HB3 TYR 13 3HB TYR 13 10.299 1.727 -12.770 102 HD1 TYR 13 HD2 TYR 13 9.391 1.234 -10.549 103 HD2 TYR 13 HD1 TYR 13 10.650 5.162 -11.592 104 HE1 TYR 13 HE2 TYR 13 8.174 2.133 -8.609 105 HE2 TYR 13 HE1 TYR 13 9.438 6.071 -9.654 106 HH TYR 13 HH TYR 13 8.446 5.499 -7.668 107 H ARG 14 H ARG 14 11.432 -0.225 -11.799 108 HA ARG 14 HA ARG 14 11.043 -0.450 -9.076 109 HB2 ARG 14 2HB ARG 14 10.695 -2.113 -11.180 110 HB3 ARG 14 3HB ARG 14 12.091 -2.867 -10.422 111 HG2 ARG 14 2HG ARG 14 10.683 -2.698 -8.250 112 HG3 ARG 14 3HG ARG 14 9.324 -2.513 -9.360 113 HD2 ARG 14 2HD ARG 14 10.499 -4.625 -10.491 114 HD3 ARG 14 3HD ARG 14 11.049 -4.864 -8.833 115 HE ARG 14 HE ARG 14 8.268 -4.362 -8.879 116 HH11 ARG 14 1HH1 ARG 14 10.614 -6.822 -9.628 117 HH12 ARG 14 2HH1 ARG 14 9.515 -8.135 -9.363 118 HH21 ARG 14 1HH2 ARG 14 6.812 -6.082 -8.526 119 HH22 ARG 14 2HH2 ARG 14 7.352 -7.713 -8.737 120 H LEU 15 H LEU 15 14.005 -0.764 -10.920 121 HA LEU 15 HA LEU 15 15.553 -1.839 -8.767 122 HB2 LEU 15 2HB LEU 15 16.659 -0.373 -11.141 123 HB3 LEU 15 3HB LEU 15 17.412 -1.655 -10.195 124 HG LEU 15 HG LEU 15 15.048 -2.033 -12.032 125 HD11 LEU 15 1HD1 LEU 15 16.707 -3.223 -13.461 126 HD12 LEU 15 2HD1 LEU 15 17.984 -2.564 -12.440 127 HD13 LEU 15 3HD1 LEU 15 16.949 -1.479 -13.368 128 HD21 LEU 15 3HD2 LEU 15 16.807 -4.021 -10.599 129 HD22 LEU 15 1HD2 LEU 15 15.512 -4.411 -11.730 130 HD23 LEU 15 2HD2 LEU 15 15.135 -3.635 -10.192 131 H THR 16 H THR 16 14.839 -0.244 -7.152 132 HA THR 16 HA THR 16 16.706 2.006 -7.081 133 HB THR 16 HB THR 16 14.888 3.478 -6.142 134 HG1 THR 16 HG1 THR 16 12.874 2.771 -6.110 135 HG21 THR 16 3HG2 THR 16 14.769 2.534 -9.000 136 HG22 THR 16 1HG2 THR 16 15.612 3.941 -8.352 137 HG23 THR 16 2HG2 THR 16 13.849 3.920 -8.414 138 H SER 17 H SER 17 16.249 3.165 -4.783 139 HA SER 17 HA SER 17 16.857 1.114 -2.847 140 HB2 SER 17 2HB SER 17 17.869 3.536 -3.100 141 HB3 SER 17 3HB SER 17 16.496 3.988 -2.091 142 HG SER 17 HG SER 17 17.868 3.439 -0.568 143 H ARG 18 H ARG 18 14.207 3.305 -3.553 144 HA ARG 18 HA ARG 18 12.764 2.919 -1.154 145 HB2 ARG 18 2HB ARG 18 12.163 4.004 -3.858 146 HB3 ARG 18 3HB ARG 18 10.797 3.541 -2.852 147 HG2 ARG 18 2HG ARG 18 11.166 5.841 -2.479 148 HG3 ARG 18 3HG ARG 18 11.768 4.999 -1.049 149 HD2 ARG 18 2HD ARG 18 14.038 5.205 -1.823 150 HD3 ARG 18 3HD ARG 18 13.493 5.888 -3.355 151 HE ARG 18 HE ARG 18 12.523 7.518 -1.319 152 HH11 ARG 18 1HH1 ARG 18 15.590 6.547 -2.650 153 HH12 ARG 18 2HH1 ARG 18 16.389 8.025 -2.228 154 HH21 ARG 18 1HH2 ARG 18 13.564 9.469 -0.758 155 HH22 ARG 18 2HH2 ARG 18 15.236 9.686 -1.151 156 H TYR 19 H TYR 19 12.643 1.305 -4.305 157 HA TYR 19 HA TYR 19 10.439 -0.314 -3.945 158 HB2 TYR 19 2HB TYR 19 11.501 -0.265 -6.080 159 HB3 TYR 19 3HB TYR 19 13.027 -0.830 -5.411 160 HD1 TYR 19 HD2 TYR 19 9.489 -2.043 -5.243 161 HD2 TYR 19 HD1 TYR 19 13.548 -2.947 -6.146 162 HE1 TYR 19 HE2 TYR 19 8.852 -4.361 -5.760 163 HE2 TYR 19 HE1 TYR 19 12.922 -5.268 -6.666 164 HH TYR 19 HH TYR 19 9.858 -6.563 -5.887 165 H ARG 20 H ARG 20 13.797 -0.942 -2.977 166 HA ARG 20 HA ARG 20 13.373 -3.514 -1.929 167 HB2 ARG 20 2HB ARG 20 15.422 -1.553 -0.906 168 HB3 ARG 20 3HB ARG 20 15.520 -3.308 -0.921 169 HG2 ARG 20 2HG ARG 20 15.288 -2.911 -3.537 170 HG3 ARG 20 3HG ARG 20 16.004 -1.360 -3.094 171 HD2 ARG 20 2HD ARG 20 17.122 -4.119 -2.669 172 HD3 ARG 20 3HD ARG 20 17.807 -2.799 -3.617 173 HE ARG 20 HE ARG 20 17.642 -1.860 -1.035 174 HH11 ARG 20 1HH1 ARG 20 19.206 -4.506 -2.668 175 HH12 ARG 20 2HH1 ARG 20 20.543 -4.567 -1.567 176 HH21 ARG 20 1HH2 ARG 20 19.397 -1.930 0.422 177 HH22 ARG 20 2HH2 ARG 20 20.650 -3.102 0.190 178 H HIS 21 H HIS 21 12.731 -0.356 -0.653 179 HA HIS 21 HA HIS 21 12.458 -1.242 2.079 180 HB2 HIS 21 2HB HIS 21 12.150 1.338 0.621 181 HB3 HIS 21 3HB HIS 21 11.296 1.157 2.151 182 HD1 HIS 21 HD1 HIS 21 13.281 -0.204 3.915 183 HD2 HIS 21 HD2 HIS 21 14.379 2.745 1.202 184 HE1 HIS 21 HE1 HIS 21 15.458 0.720 4.770 185 H TYR 22 H TYR 22 10.200 0.015 -0.380 186 HA TYR 22 HA TYR 22 7.836 -0.345 0.996 187 HB2 TYR 22 2HB TYR 22 8.412 -0.586 -1.958 188 HB3 TYR 22 3HB TYR 22 6.784 -0.598 -1.290 189 HD1 TYR 22 HD2 TYR 22 6.971 1.467 0.795 190 HD2 TYR 22 HD1 TYR 22 8.570 1.408 -3.147 191 HE1 TYR 22 HE2 TYR 22 6.931 3.926 0.749 192 HE2 TYR 22 HE1 TYR 22 8.536 3.867 -3.204 193 HH TYR 22 HH TYR 22 7.472 5.719 -2.140 194 H ALA 23 H ALA 23 9.337 -2.647 -1.276 195 HA ALA 23 HA ALA 23 7.512 -4.730 -0.915 196 HB1 ALA 23 1HB ALA 23 9.807 -4.324 -2.412 197 HB2 ALA 23 2HB ALA 23 10.206 -5.693 -1.373 198 HB3 ALA 23 3HB ALA 23 8.787 -5.764 -2.419 199 H ALA 24 H ALA 24 10.224 -3.707 1.024 200 HA ALA 24 HA ALA 24 10.350 -6.110 2.594 201 HB1 ALA 24 1HB ALA 24 11.687 -4.390 4.116 202 HB2 ALA 24 2HB ALA 24 12.388 -5.106 2.663 203 HB3 ALA 24 3HB ALA 24 11.713 -3.478 2.606 204 H PHE 25 H PHE 25 8.104 -3.713 2.427 205 HA PHE 25 HA PHE 25 7.256 -4.192 5.201 206 HB2 PHE 25 2HB PHE 25 7.463 -1.576 3.743 207 HB3 PHE 25 3HB PHE 25 6.274 -1.787 5.024 208 HD1 PHE 25 HD1 PHE 25 9.904 -2.399 4.411 209 HD2 PHE 25 HD2 PHE 25 6.882 -1.170 7.146 210 HE1 PHE 25 HE1 PHE 25 11.632 -1.895 6.088 211 HE2 PHE 25 HE2 PHE 25 8.606 -0.663 8.827 212 HZ PHE 25 HZ PHE 25 10.984 -1.024 8.299 213 H GLU 26 H GLU 26 6.573 -4.724 2.088 214 HA GLU 26 HA GLU 26 3.665 -4.652 2.557 215 HB2 GLU 26 2HB GLU 26 5.248 -3.652 0.285 216 HB3 GLU 26 3HB GLU 26 3.857 -4.628 -0.165 217 HG2 GLU 26 2HG GLU 26 3.672 -2.300 1.721 218 HG3 GLU 26 3HG GLU 26 3.483 -2.142 -0.024 219 H ARG 27 H ARG 27 6.392 -6.309 1.079 220 HA ARG 27 HA ARG 27 4.804 -8.781 1.081 221 HB2 ARG 27 2HB ARG 27 5.979 -9.449 -1.029 222 HB3 ARG 27 3HB ARG 27 4.847 -8.117 -1.217 223 HG2 ARG 27 2HG ARG 27 6.589 -7.279 -2.400 224 HG3 ARG 27 3HG ARG 27 7.036 -6.687 -0.799 225 HD2 ARG 27 2HD ARG 27 8.943 -7.701 -1.950 226 HD3 ARG 27 3HD ARG 27 8.517 -8.592 -0.489 227 HE ARG 27 HE ARG 27 8.028 -10.408 -1.788 228 HH11 ARG 27 1HH1 ARG 27 8.147 -7.573 -3.804 229 HH12 ARG 27 2HH1 ARG 27 8.007 -8.460 -5.285 230 HH21 ARG 27 1HH2 ARG 27 7.843 -11.588 -3.731 231 HH22 ARG 27 2HH2 ARG 27 7.833 -10.744 -5.243 232 H ALA 28 H ALA 28 6.979 -7.483 2.772 233 HA ALA 28 HA ALA 28 9.388 -8.882 2.485 234 HB1 ALA 28 1HB ALA 28 9.075 -8.445 5.219 235 HB2 ALA 28 2HB ALA 28 9.879 -7.390 4.056 236 HB3 ALA 28 3HB ALA 28 8.175 -7.143 4.439 237 H THR 29 H THR 29 7.166 -9.457 5.196 238 HA THR 29 HA THR 29 7.875 -12.303 5.074 239 HB THR 29 HB THR 29 8.202 -10.942 7.215 240 HG1 THR 29 HG1 THR 29 7.359 -12.751 8.477 241 HG21 THR 29 3HG2 THR 29 5.239 -11.384 7.531 242 HG22 THR 29 1HG2 THR 29 5.923 -9.847 7.005 243 HG23 THR 29 2HG2 THR 29 6.328 -10.494 8.595 244 H PHE 30 H PHE 30 5.207 -10.088 4.833 245 HA PHE 30 HA PHE 30 3.336 -12.348 4.611 246 HB2 PHE 30 2HB PHE 30 1.617 -10.382 4.782 247 HB3 PHE 30 3HB PHE 30 2.417 -10.972 6.235 248 HD1 PHE 30 HD1 PHE 30 3.417 -8.611 3.523 249 HD2 PHE 30 HD2 PHE 30 2.827 -9.250 7.689 250 HE1 PHE 30 HE1 PHE 30 4.240 -6.338 3.985 251 HE2 PHE 30 HE2 PHE 30 3.647 -6.979 8.158 252 HZ PHE 30 HZ PHE 30 4.355 -5.519 6.304 Start of MODEL 18 1 H1 TYR 1 H TYR 1 1.449 -5.593 -2.164 2 HA TYR 1 HA TYR 1 0.060 -3.915 -3.215 3 HB2 TYR 1 2HB TYR 1 1.105 -1.805 -2.337 4 HB3 TYR 1 3HB TYR 1 0.984 -3.106 -1.158 5 HD1 TYR 1 HD1 TYR 1 2.997 -4.301 -0.415 6 HD2 TYR 1 HD2 TYR 1 3.244 -1.010 -3.101 7 HE1 TYR 1 HE1 TYR 1 5.407 -4.118 0.039 8 HE2 TYR 1 HE2 TYR 1 5.655 -0.819 -2.655 9 HH TYR 1 HH TYR 1 7.485 -2.122 -1.839 10 H ALA 2 H ALA 2 1.677 -5.046 -5.305 11 HA ALA 2 HA ALA 2 2.461 -2.628 -6.794 12 HB1 ALA 2 1HB ALA 2 4.152 -3.761 -7.786 13 HB2 ALA 2 2HB ALA 2 4.039 -4.732 -6.318 14 HB3 ALA 2 3HB ALA 2 3.267 -5.287 -7.803 15 H GLU 3 H GLU 3 0.562 -2.028 -7.743 16 HA GLU 3 HA GLU 3 -0.665 -3.998 -9.559 17 HB2 GLU 3 2HB GLU 3 -2.210 -3.556 -7.758 18 HB3 GLU 3 3HB GLU 3 -2.011 -1.821 -7.955 19 HG2 GLU 3 2HG GLU 3 -3.092 -1.897 -10.108 20 HG3 GLU 3 3HG GLU 3 -3.200 -3.655 -10.023 21 H LYS 4 H LYS 4 -0.647 -0.471 -9.006 22 HA LYS 4 HA LYS 4 -0.091 -0.121 -11.877 23 HB2 LYS 4 2HB LYS 4 -2.478 0.469 -10.917 24 HB3 LYS 4 3HB LYS 4 -1.662 1.930 -10.374 25 HG2 LYS 4 2HG LYS 4 -0.853 2.075 -12.839 26 HG3 LYS 4 3HG LYS 4 -2.208 0.988 -13.151 27 HD2 LYS 4 2HD LYS 4 -2.698 3.410 -11.495 28 HD3 LYS 4 3HD LYS 4 -2.489 3.618 -13.235 29 HE2 LYS 4 2HE LYS 4 -4.746 3.288 -13.156 30 HE3 LYS 4 3HE LYS 4 -4.210 1.617 -13.324 31 HZ1 LYS 4 3HZ LYS 4 -4.882 1.108 -11.259 32 HZ2 LYS 4 1HZ LYS 4 -5.872 2.471 -11.417 33 HZ3 LYS 4 2HZ LYS 4 -4.396 2.588 -10.601 34 H VAL 5 H VAL 5 1.791 -0.226 -9.694 35 HA VAL 5 HA VAL 5 2.764 2.558 -9.709 36 HB VAL 5 HB VAL 5 2.213 1.721 -7.447 37 HG11 VAL 5 1HG1 VAL 5 3.145 -0.669 -8.263 38 HG12 VAL 5 2HG1 VAL 5 4.553 -0.073 -7.382 39 HG13 VAL 5 3HG1 VAL 5 2.993 -0.207 -6.568 40 HG21 VAL 5 3HG2 VAL 5 4.142 3.331 -8.030 41 HG22 VAL 5 1HG2 VAL 5 4.093 2.625 -6.414 42 HG23 VAL 5 2HG2 VAL 5 5.194 1.974 -7.628 43 H ALA 6 H ALA 6 3.527 -0.799 -10.266 44 HA ALA 6 HA ALA 6 6.322 -0.206 -10.838 45 HB1 ALA 6 1HB ALA 6 4.734 -2.637 -10.354 46 HB2 ALA 6 2HB ALA 6 6.046 -2.802 -11.521 47 HB3 ALA 6 3HB ALA 6 6.388 -2.245 -9.883 48 H GLN 7 H GLN 7 3.341 -1.006 -12.510 49 HA GLN 7 HA GLN 7 4.486 -1.503 -15.052 50 HB2 GLN 7 2HB GLN 7 2.260 -1.410 -15.908 51 HB3 GLN 7 3HB GLN 7 2.174 -2.164 -14.321 52 HG2 GLN 7 2HG GLN 7 1.408 -0.079 -13.346 53 HG3 GLN 7 3HG GLN 7 1.547 0.720 -14.912 54 HE21 GLN 7 1HE2 GLN 7 -0.464 1.165 -15.499 55 HE22 GLN 7 2HE2 GLN 7 -1.768 0.034 -15.559 56 H GLU 8 H GLU 8 3.680 1.395 -13.330 57 HA GLU 8 HA GLU 8 3.343 3.239 -15.356 58 HB2 GLU 8 2HB GLU 8 4.488 3.396 -12.599 59 HB3 GLU 8 3HB GLU 8 4.631 4.793 -13.657 60 HG2 GLU 8 2HG GLU 8 2.004 3.450 -13.112 61 HG3 GLU 8 3HG GLU 8 2.645 4.737 -12.092 62 H LYS 9 H LYS 9 6.257 1.658 -14.279 63 HA LYS 9 HA LYS 9 7.748 3.077 -16.386 64 HB2 LYS 9 2HB LYS 9 8.539 2.433 -13.571 65 HB3 LYS 9 3HB LYS 9 9.775 2.504 -14.820 66 HG2 LYS 9 2HG LYS 9 9.847 4.652 -14.086 67 HG3 LYS 9 3HG LYS 9 8.622 4.816 -15.347 68 HD2 LYS 9 2HD LYS 9 6.856 4.708 -13.727 69 HD3 LYS 9 3HD LYS 9 7.997 4.315 -12.439 70 HE2 LYS 9 2HE LYS 9 9.089 6.532 -12.861 71 HE3 LYS 9 3HE LYS 9 7.757 6.909 -13.953 72 HZ1 LYS 9 3HZ LYS 9 7.669 7.631 -11.470 73 HZ2 LYS 9 1HZ LYS 9 7.150 6.041 -11.215 74 HZ3 LYS 9 2HZ LYS 9 6.272 7.064 -12.237 75 H GLY 10 H GLY 10 8.497 0.330 -14.248 76 HA2 GLY 10 2HA GLY 10 8.075 -1.759 -16.001 77 HA3 GLY 10 3HA GLY 10 9.681 -1.153 -16.378 78 H PHE 11 H PHE 11 11.063 -2.602 -15.577 79 HA PHE 11 HA PHE 11 10.567 -3.716 -12.912 80 HB2 PHE 11 2HB PHE 11 10.991 -5.330 -14.714 81 HB3 PHE 11 3HB PHE 11 12.542 -4.564 -15.041 82 HD1 PHE 11 HD1 PHE 11 10.664 -6.129 -12.226 83 HD2 PHE 11 HD2 PHE 11 14.430 -5.469 -14.096 84 HE1 PHE 11 HE1 PHE 11 11.737 -7.614 -10.582 85 HE2 PHE 11 HE2 PHE 11 15.508 -6.953 -12.457 86 HZ PHE 11 HZ PHE 11 14.162 -8.028 -10.697 87 H LEU 12 H LEU 12 13.251 -2.350 -14.816 88 HA LEU 12 HA LEU 12 15.143 -2.146 -12.818 89 HB2 LEU 12 2HB LEU 12 14.697 -0.095 -14.977 90 HB3 LEU 12 3HB LEU 12 16.206 -0.451 -14.140 91 HG LEU 12 HG LEU 12 14.780 -2.325 -16.028 92 HD11 LEU 12 1HD1 LEU 12 17.391 -0.955 -16.549 93 HD12 LEU 12 2HD1 LEU 12 15.861 -0.181 -16.958 94 HD13 LEU 12 3HD1 LEU 12 16.289 -1.728 -17.689 95 HD21 LEU 12 3HD2 LEU 12 17.241 -3.299 -15.881 96 HD22 LEU 12 1HD2 LEU 12 15.978 -3.776 -14.746 97 HD23 LEU 12 2HD2 LEU 12 17.168 -2.561 -14.280 98 H TYR 13 H TYR 13 12.457 0.011 -13.551 99 HA TYR 13 HA TYR 13 13.129 2.178 -11.948 100 HB2 TYR 13 2HB TYR 13 11.272 2.354 -13.450 101 HB3 TYR 13 3HB TYR 13 10.430 1.024 -12.663 102 HD1 TYR 13 HD1 TYR 13 11.447 4.552 -12.324 103 HD2 TYR 13 HD2 TYR 13 9.129 1.381 -10.689 104 HE1 TYR 13 HE1 TYR 13 10.284 6.160 -10.870 105 HE2 TYR 13 HE2 TYR 13 7.959 2.980 -9.231 106 HH TYR 13 HH TYR 13 8.222 5.153 -8.298 107 H ARG 14 H ARG 14 11.215 -0.700 -11.096 108 HA ARG 14 HA ARG 14 10.627 -0.072 -8.468 109 HB2 ARG 14 2HB ARG 14 11.243 -2.784 -9.654 110 HB3 ARG 14 3HB ARG 14 10.480 -2.522 -8.091 111 HG2 ARG 14 2HG ARG 14 8.549 -1.568 -9.106 112 HG3 ARG 14 3HG ARG 14 9.332 -1.530 -10.687 113 HD2 ARG 14 2HD ARG 14 8.105 -3.432 -10.936 114 HD3 ARG 14 3HD ARG 14 9.559 -4.128 -10.221 115 HE ARG 14 HE ARG 14 7.576 -3.357 -8.289 116 HH11 ARG 14 1HH1 ARG 14 8.659 -5.878 -10.432 117 HH12 ARG 14 2HH1 ARG 14 7.900 -7.149 -9.532 118 HH21 ARG 14 1HH2 ARG 14 6.573 -5.021 -7.095 119 HH22 ARG 14 2HH2 ARG 14 6.713 -6.660 -7.634 120 H LEU 15 H LEU 15 13.624 -1.177 -9.864 121 HA LEU 15 HA LEU 15 14.885 -1.943 -7.435 122 HB2 LEU 15 2HB LEU 15 16.231 -0.999 -9.956 123 HB3 LEU 15 3HB LEU 15 16.913 -2.026 -8.696 124 HG LEU 15 HG LEU 15 14.747 -2.779 -10.656 125 HD11 LEU 15 1HD1 LEU 15 16.438 -4.408 -11.429 126 HD12 LEU 15 2HD1 LEU 15 17.614 -3.656 -10.350 127 HD13 LEU 15 3HD1 LEU 15 16.923 -2.731 -11.683 128 HD21 LEU 15 3HD2 LEU 15 14.801 -4.976 -9.657 129 HD22 LEU 15 1HD2 LEU 15 14.404 -3.779 -8.423 130 HD23 LEU 15 2HD2 LEU 15 16.030 -4.456 -8.503 131 H THR 16 H THR 16 14.427 -0.208 -6.006 132 HA THR 16 HA THR 16 16.382 1.941 -6.188 133 HB THR 16 HB THR 16 14.659 3.653 -5.554 134 HG1 THR 16 HG1 THR 16 12.722 1.904 -6.632 135 HG21 THR 16 3HG2 THR 16 14.439 2.309 -8.246 136 HG22 THR 16 1HG2 THR 16 15.491 3.653 -7.803 137 HG23 THR 16 2HG2 THR 16 13.744 3.886 -7.874 138 H SER 17 H SER 17 16.617 3.123 -4.150 139 HA SER 17 HA SER 17 16.799 1.422 -1.944 140 HB2 SER 17 2HB SER 17 17.939 3.739 -2.464 141 HB3 SER 17 3HB SER 17 16.579 4.383 -1.545 142 HG SER 17 HG SER 17 17.969 3.970 0.028 143 H ARG 18 H ARG 18 14.463 4.034 -2.581 144 HA ARG 18 HA ARG 18 12.945 3.794 -0.272 145 HB2 ARG 18 2HB ARG 18 12.382 4.767 -3.039 146 HB3 ARG 18 3HB ARG 18 11.034 4.569 -1.926 147 HG2 ARG 18 2HG ARG 18 11.759 6.832 -1.815 148 HG3 ARG 18 3HG ARG 18 12.240 6.037 -0.315 149 HD2 ARG 18 2HD ARG 18 14.489 5.968 -0.934 150 HD3 ARG 18 3HD ARG 18 14.122 6.222 -2.640 151 HE ARG 18 HE ARG 18 13.280 8.472 -1.202 152 HH11 ARG 18 1HH1 ARG 18 16.219 6.844 -2.116 153 HH12 ARG 18 2HH1 ARG 18 17.174 8.289 -2.115 154 HH21 ARG 18 1HH2 ARG 18 14.528 10.382 -1.198 155 HH22 ARG 18 2HH2 ARG 18 16.211 10.301 -1.592 156 H TYR 19 H TYR 19 12.352 2.255 -3.433 157 HA TYR 19 HA TYR 19 10.107 0.785 -2.761 158 HB2 TYR 19 2HB TYR 19 10.799 0.910 -5.051 159 HB3 TYR 19 3HB TYR 19 12.346 0.153 -4.688 160 HD1 TYR 19 HD1 TYR 19 8.734 -0.434 -5.088 161 HD2 TYR 19 HD2 TYR 19 12.545 -2.231 -4.490 162 HE1 TYR 19 HE1 TYR 19 7.771 -2.637 -5.610 163 HE2 TYR 19 HE2 TYR 19 11.593 -4.438 -5.011 164 HH TYR 19 HH TYR 19 9.258 -5.506 -4.905 165 H ARG 20 H ARG 20 13.508 -0.268 -2.615 166 HA ARG 20 HA ARG 20 13.050 -2.812 -1.565 167 HB2 ARG 20 2HB ARG 20 15.404 -0.942 -1.350 168 HB3 ARG 20 3HB ARG 20 15.424 -2.558 -0.656 169 HG2 ARG 20 2HG ARG 20 14.674 -3.219 -3.108 170 HG3 ARG 20 3HG ARG 20 15.499 -1.707 -3.492 171 HD2 ARG 20 2HD ARG 20 17.024 -3.598 -3.663 172 HD3 ARG 20 3HD ARG 20 17.509 -2.514 -2.360 173 HE ARG 20 HE ARG 20 17.170 -4.219 -0.880 174 HH11 ARG 20 1HH1 ARG 20 15.511 -4.963 -3.848 175 HH12 ARG 20 2HH1 ARG 20 15.070 -6.563 -3.354 176 HH21 ARG 20 1HH2 ARG 20 16.596 -6.325 -0.217 177 HH22 ARG 20 2HH2 ARG 20 15.687 -7.337 -1.288 178 H HIS 21 H HIS 21 13.341 0.312 0.024 179 HA HIS 21 HA HIS 21 13.430 -0.722 2.678 180 HB2 HIS 21 2HB HIS 21 14.162 1.603 1.845 181 HB3 HIS 21 3HB HIS 21 12.457 2.032 1.946 182 HD1 HIS 21 HD1 HIS 21 14.945 0.351 4.301 183 HD2 HIS 21 HD2 HIS 21 11.938 3.218 4.304 184 HE1 HIS 21 HE1 HIS 21 14.826 1.198 6.666 185 H TYR 22 H TYR 22 10.893 0.010 0.433 186 HA TYR 22 HA TYR 22 8.812 0.030 2.438 187 HB2 TYR 22 2HB TYR 22 8.833 0.198 -0.565 188 HB3 TYR 22 3HB TYR 22 7.329 -0.013 0.325 189 HD1 TYR 22 HD2 TYR 22 7.563 1.701 2.612 190 HD2 TYR 22 HD1 TYR 22 8.947 2.363 -1.357 191 HE1 TYR 22 HE2 TYR 22 7.437 4.130 2.979 192 HE2 TYR 22 HE1 TYR 22 8.826 4.794 -1.000 193 HH TYR 22 HH TYR 22 7.207 6.295 0.905 194 H ALA 23 H ALA 23 9.931 -2.152 -0.122 195 HA ALA 23 HA ALA 23 7.980 -4.162 0.396 196 HB1 ALA 23 1HB ALA 23 10.626 -4.665 -0.928 197 HB2 ALA 23 2HB ALA 23 9.074 -5.453 -1.219 198 HB3 ALA 23 3HB ALA 23 9.331 -3.789 -1.745 199 H ALA 24 H ALA 24 11.061 -3.368 1.761 200 HA ALA 24 HA ALA 24 11.300 -5.955 3.090 201 HB1 ALA 24 1HB ALA 24 13.313 -4.950 2.128 202 HB2 ALA 24 2HB ALA 24 13.123 -3.554 3.190 203 HB3 ALA 24 3HB ALA 24 13.458 -5.144 3.875 204 H PHE 25 H PHE 25 9.259 -3.712 3.653 205 HA PHE 25 HA PHE 25 9.541 -3.855 6.564 206 HB2 PHE 25 2HB PHE 25 9.380 -1.376 4.912 207 HB3 PHE 25 3HB PHE 25 8.538 -1.399 6.458 208 HD1 PHE 25 HD2 PHE 25 11.872 -2.175 4.986 209 HD2 PHE 25 HD1 PHE 25 9.679 -0.777 8.355 210 HE1 PHE 25 HE2 PHE 25 13.982 -1.649 6.137 211 HE2 PHE 25 HE1 PHE 25 11.786 -0.247 9.511 212 HZ PHE 25 HZ PHE 25 13.941 -0.685 8.402 213 H GLU 26 H GLU 26 7.401 -2.664 3.971 214 HA GLU 26 HA GLU 26 4.997 -2.769 5.316 215 HB2 GLU 26 2HB GLU 26 5.773 -3.040 2.449 216 HB3 GLU 26 3HB GLU 26 4.118 -3.422 2.900 217 HG2 GLU 26 2HG GLU 26 5.117 -0.897 3.991 218 HG3 GLU 26 3HG GLU 26 5.024 -0.954 2.232 219 H ARG 27 H ARG 27 6.532 -5.365 3.430 220 HA ARG 27 HA ARG 27 4.903 -7.297 4.937 221 HB2 ARG 27 2HB ARG 27 5.274 -7.035 1.993 222 HB3 ARG 27 3HB ARG 27 5.197 -8.658 2.666 223 HG2 ARG 27 2HG ARG 27 3.006 -8.419 3.345 224 HG3 ARG 27 3HG ARG 27 3.102 -6.657 3.380 225 HD2 ARG 27 2HD ARG 27 1.842 -7.040 1.480 226 HD3 ARG 27 3HD ARG 27 3.471 -6.881 0.822 227 HE ARG 27 HE ARG 27 3.085 -9.572 1.335 228 HH11 ARG 27 1HH1 ARG 27 1.661 -7.110 -0.673 229 HH12 ARG 27 2HH1 ARG 27 1.178 -8.218 -1.914 230 HH21 ARG 27 1HH2 ARG 27 2.454 -11.041 -0.292 231 HH22 ARG 27 2HH2 ARG 27 1.628 -10.454 -1.696 232 H ALA 28 H ALA 28 7.867 -6.662 3.138 233 HA ALA 28 HA ALA 28 9.962 -7.540 3.278 234 HB1 ALA 28 1HB ALA 28 10.310 -8.873 5.561 235 HB2 ALA 28 2HB ALA 28 10.280 -7.111 5.483 236 HB3 ALA 28 3HB ALA 28 8.837 -7.997 5.978 237 H THR 29 H THR 29 7.530 -9.180 2.379 238 HA THR 29 HA THR 29 8.465 -11.900 2.819 239 HB THR 29 HB THR 29 6.185 -11.111 1.018 240 HG1 THR 29 HG1 THR 29 5.768 -11.773 3.722 241 HG21 THR 29 3HG2 THR 29 7.274 -13.584 2.112 242 HG22 THR 29 1HG2 THR 29 6.173 -13.337 0.758 243 HG23 THR 29 2HG2 THR 29 5.544 -13.407 2.404 244 H PHE 30 H PHE 30 9.693 -9.637 1.023 245 HA PHE 30 HA PHE 30 10.113 -11.380 -1.316 246 HB2 PHE 30 2HB PHE 30 10.488 -8.421 -1.523 247 HB3 PHE 30 3HB PHE 30 10.051 -9.583 -2.771 248 HD1 PHE 30 HD1 PHE 30 8.808 -7.545 0.010 249 HD2 PHE 30 HD2 PHE 30 7.767 -10.208 -3.143 250 HE1 PHE 30 HE1 PHE 30 6.441 -6.926 0.273 251 HE2 PHE 30 HE2 PHE 30 5.399 -9.594 -2.885 252 HZ PHE 30 HZ PHE 30 4.733 -7.950 -1.176 Start of MODEL 19 1 H1 TYR 1 H TYR 1 -0.361 -5.630 -3.287 2 HA TYR 1 HA TYR 1 1.143 -3.588 -2.028 3 HB2 TYR 1 2HB TYR 1 2.062 -5.810 -2.642 4 HB3 TYR 1 3HB TYR 1 1.955 -5.361 -4.341 5 HD1 TYR 1 HD2 TYR 1 3.467 -4.190 -1.135 6 HD2 TYR 1 HD1 TYR 1 3.799 -4.408 -5.371 7 HE1 TYR 1 HE2 TYR 1 5.709 -3.186 -1.005 8 HE2 TYR 1 HE1 TYR 1 6.042 -3.406 -5.253 9 HH TYR 1 HH TYR 1 7.280 -1.860 -3.559 10 H ALA 2 H ALA 2 2.382 -1.907 -3.030 11 HA ALA 2 HA ALA 2 0.929 -0.215 -4.687 12 HB1 ALA 2 1HB ALA 2 2.731 1.224 -4.611 13 HB2 ALA 2 2HB ALA 2 2.996 0.236 -3.174 14 HB3 ALA 2 3HB ALA 2 3.913 -0.084 -4.646 15 H GLU 3 H GLU 3 0.224 -0.920 -6.629 16 HA GLU 3 HA GLU 3 2.049 -2.304 -8.429 17 HB2 GLU 3 2HB GLU 3 -0.383 -2.982 -8.055 18 HB3 GLU 3 3HB GLU 3 -0.817 -1.557 -8.989 19 HG2 GLU 3 2HG GLU 3 0.156 -2.403 -10.944 20 HG3 GLU 3 3HG GLU 3 1.045 -3.644 -10.064 21 H LYS 4 H LYS 4 0.626 0.819 -7.962 22 HA LYS 4 HA LYS 4 0.889 1.857 -10.562 23 HB2 LYS 4 2HB LYS 4 0.870 4.081 -9.433 24 HB3 LYS 4 3HB LYS 4 -0.445 3.023 -8.937 25 HG2 LYS 4 2HG LYS 4 0.570 2.577 -6.853 26 HG3 LYS 4 3HG LYS 4 2.102 3.288 -7.366 27 HD2 LYS 4 2HD LYS 4 1.168 5.483 -7.370 28 HD3 LYS 4 3HD LYS 4 -0.465 4.852 -7.146 29 HE2 LYS 4 2HE LYS 4 -0.046 4.247 -4.923 30 HE3 LYS 4 3HE LYS 4 1.702 4.342 -5.133 31 HZ1 LYS 4 3HZ LYS 4 -0.243 6.535 -4.825 32 HZ2 LYS 4 1HZ LYS 4 1.241 6.814 -5.588 33 HZ3 LYS 4 2HZ LYS 4 1.203 6.267 -3.988 34 H VAL 5 H VAL 5 3.204 1.269 -8.054 35 HA VAL 5 HA VAL 5 5.284 2.547 -9.708 36 HB VAL 5 HB VAL 5 6.599 2.854 -7.627 37 HG11 VAL 5 1HG1 VAL 5 4.532 4.396 -8.610 38 HG12 VAL 5 2HG1 VAL 5 4.207 4.322 -6.877 39 HG13 VAL 5 3HG1 VAL 5 5.763 4.915 -7.459 40 HG21 VAL 5 3HG2 VAL 5 5.088 1.028 -6.468 41 HG22 VAL 5 1HG2 VAL 5 5.845 2.319 -5.535 42 HG23 VAL 5 2HG2 VAL 5 4.147 2.442 -5.993 43 H ALA 6 H ALA 6 4.542 -0.030 -10.262 44 HA ALA 6 HA ALA 6 6.898 -1.531 -9.345 45 HB1 ALA 6 1HB ALA 6 4.113 -2.209 -8.935 46 HB2 ALA 6 2HB ALA 6 4.977 -3.473 -9.813 47 HB3 ALA 6 3HB ALA 6 5.565 -2.931 -8.241 48 H GLN 7 H GLN 7 4.189 -1.816 -11.656 49 HA GLN 7 HA GLN 7 6.165 -2.529 -13.721 50 HB2 GLN 7 2HB GLN 7 4.355 -3.791 -14.829 51 HB3 GLN 7 3HB GLN 7 4.711 -4.406 -13.221 52 HG2 GLN 7 2HG GLN 7 2.771 -3.137 -12.356 53 HG3 GLN 7 3HG GLN 7 2.389 -2.665 -14.011 54 HE21 GLN 7 1HE2 GLN 7 0.342 -3.707 -13.585 55 HE22 GLN 7 2HE2 GLN 7 0.204 -5.419 -13.773 56 H GLU 8 H GLU 8 3.507 -0.491 -12.839 57 HA GLU 8 HA GLU 8 2.619 0.453 -15.276 58 HB2 GLU 8 2HB GLU 8 2.843 1.660 -12.553 59 HB3 GLU 8 3HB GLU 8 2.406 2.701 -13.901 60 HG2 GLU 8 2HG GLU 8 0.942 0.220 -13.032 61 HG3 GLU 8 3HG GLU 8 0.435 1.884 -12.749 62 H LYS 9 H LYS 9 5.606 1.122 -13.610 63 HA LYS 9 HA LYS 9 6.311 3.241 -15.489 64 HB2 LYS 9 2HB LYS 9 6.807 3.102 -12.883 65 HB3 LYS 9 3HB LYS 9 8.227 2.227 -13.440 66 HG2 LYS 9 2HG LYS 9 9.013 4.381 -13.333 67 HG3 LYS 9 3HG LYS 9 8.529 4.265 -15.027 68 HD2 LYS 9 2HD LYS 9 7.497 6.225 -14.527 69 HD3 LYS 9 3HD LYS 9 6.222 5.127 -13.992 70 HE2 LYS 9 2HE LYS 9 6.735 5.424 -11.748 71 HE3 LYS 9 3HE LYS 9 8.370 5.986 -12.094 72 HZ1 LYS 9 3HZ LYS 9 6.160 7.545 -11.595 73 HZ2 LYS 9 1HZ LYS 9 6.430 7.705 -13.258 74 HZ3 LYS 9 2HZ LYS 9 7.664 8.073 -12.161 75 H GLY 10 H GLY 10 7.989 0.345 -14.235 76 HA2 GLY 10 2HA GLY 10 8.457 -0.855 -16.716 77 HA3 GLY 10 3HA GLY 10 9.819 0.203 -16.380 78 H PHE 11 H PHE 11 11.150 -1.692 -16.353 79 HA PHE 11 HA PHE 11 10.735 -3.544 -14.135 80 HB2 PHE 11 2HB PHE 11 11.316 -4.476 -16.335 81 HB3 PHE 11 3HB PHE 11 12.817 -3.556 -16.331 82 HD1 PHE 11 HD1 PHE 11 10.993 -5.968 -14.143 83 HD2 PHE 11 HD2 PHE 11 14.724 -4.668 -15.725 84 HE1 PHE 11 HE1 PHE 11 12.123 -7.829 -12.997 85 HE2 PHE 11 HE2 PHE 11 15.860 -6.528 -14.583 86 HZ PHE 11 HZ PHE 11 14.560 -8.112 -13.217 87 H LEU 12 H LEU 12 13.535 -1.761 -15.447 88 HA LEU 12 HA LEU 12 15.197 -1.988 -13.256 89 HB2 LEU 12 2HB LEU 12 15.032 0.481 -14.963 90 HB3 LEU 12 3HB LEU 12 16.443 -0.167 -14.131 91 HG LEU 12 HG LEU 12 15.084 -1.327 -16.562 92 HD11 LEU 12 1HD1 LEU 12 16.910 -0.619 -17.792 93 HD12 LEU 12 2HD1 LEU 12 17.931 -0.433 -16.366 94 HD13 LEU 12 3HD1 LEU 12 16.648 0.733 -16.689 95 HD21 LEU 12 3HD2 LEU 12 17.435 -2.360 -14.977 96 HD22 LEU 12 1HD2 LEU 12 16.886 -2.994 -16.529 97 HD23 LEU 12 2HD2 LEU 12 15.847 -3.117 -15.109 98 H TYR 13 H TYR 13 12.552 0.248 -13.804 99 HA TYR 13 HA TYR 13 13.023 2.153 -11.864 100 HB2 TYR 13 2HB TYR 13 11.188 2.433 -13.376 101 HB3 TYR 13 3HB TYR 13 10.420 0.952 -12.814 102 HD1 TYR 13 HD2 TYR 13 11.329 4.400 -11.796 103 HD2 TYR 13 HD1 TYR 13 8.926 0.982 -10.991 104 HE1 TYR 13 HE2 TYR 13 10.037 5.701 -10.156 105 HE2 TYR 13 HE1 TYR 13 7.627 2.274 -9.350 106 HH TYR 13 HH TYR 13 8.530 5.568 -8.475 107 H ARG 14 H ARG 14 11.220 -0.897 -11.483 108 HA ARG 14 HA ARG 14 10.625 -0.670 -8.782 109 HB2 ARG 14 2HB ARG 14 10.142 -2.536 -10.691 110 HB3 ARG 14 3HB ARG 14 11.336 -3.379 -9.715 111 HG2 ARG 14 2HG ARG 14 9.976 -3.374 -7.825 112 HG3 ARG 14 3HG ARG 14 8.947 -2.088 -8.457 113 HD2 ARG 14 2HD ARG 14 7.670 -3.518 -9.634 114 HD3 ARG 14 3HD ARG 14 9.048 -4.507 -10.114 115 HE ARG 14 HE ARG 14 8.771 -5.124 -7.511 116 HH11 ARG 14 1HH1 ARG 14 6.504 -4.994 -10.150 117 HH12 ARG 14 2HH1 ARG 14 5.487 -6.243 -9.509 118 HH21 ARG 14 1HH2 ARG 14 7.441 -6.769 -6.657 119 HH22 ARG 14 2HH2 ARG 14 6.021 -7.251 -7.522 120 H LEU 15 H LEU 15 13.624 -1.429 -10.343 121 HA LEU 15 HA LEU 15 14.865 -2.489 -7.958 122 HB2 LEU 15 2HB LEU 15 16.240 -1.612 -10.484 123 HB3 LEU 15 3HB LEU 15 16.825 -2.748 -9.271 124 HG LEU 15 HG LEU 15 14.472 -3.256 -11.089 125 HD11 LEU 15 1HD1 LEU 15 17.260 -4.376 -11.299 126 HD12 LEU 15 2HD1 LEU 15 16.648 -3.050 -12.288 127 HD13 LEU 15 3HD1 LEU 15 15.907 -4.646 -12.397 128 HD21 LEU 15 3HD2 LEU 15 14.462 -4.459 -8.928 129 HD22 LEU 15 1HD2 LEU 15 16.043 -5.132 -9.327 130 HD23 LEU 15 2HD2 LEU 15 14.639 -5.534 -10.316 131 H THR 16 H THR 16 13.954 -0.213 -7.087 132 HA THR 16 HA THR 16 16.200 1.692 -7.197 133 HB THR 16 HB THR 16 14.439 3.327 -6.252 134 HG1 THR 16 HG1 THR 16 12.338 2.769 -6.521 135 HG21 THR 16 3HG2 THR 16 13.397 3.354 -8.747 136 HG22 THR 16 1HG2 THR 16 14.834 2.366 -9.013 137 HG23 THR 16 2HG2 THR 16 14.991 3.990 -8.343 138 H SER 17 H SER 17 16.087 3.146 -5.082 139 HA SER 17 HA SER 17 16.691 1.361 -2.919 140 HB2 SER 17 2HB SER 17 17.788 3.663 -3.555 141 HB3 SER 17 3HB SER 17 16.495 4.331 -2.561 142 HG SER 17 HG SER 17 18.383 3.904 -1.340 143 H ARG 18 H ARG 18 14.045 3.471 -3.789 144 HA ARG 18 HA ARG 18 12.773 3.491 -1.247 145 HB2 ARG 18 2HB ARG 18 11.396 3.853 -3.904 146 HB3 ARG 18 3HB ARG 18 10.928 4.515 -2.344 147 HG2 ARG 18 2HG ARG 18 13.332 5.297 -3.979 148 HG3 ARG 18 3HG ARG 18 11.869 6.249 -3.722 149 HD2 ARG 18 2HD ARG 18 13.907 5.447 -1.650 150 HD3 ARG 18 3HD ARG 18 13.613 7.069 -2.277 151 HE ARG 18 HE ARG 18 11.213 6.324 -1.243 152 HH11 ARG 18 1HH1 ARG 18 14.459 6.468 0.006 153 HH12 ARG 18 2HH1 ARG 18 13.958 6.786 1.634 154 HH21 ARG 18 1HH2 ARG 18 10.540 6.742 0.896 155 HH22 ARG 18 2HH2 ARG 18 11.728 6.941 2.139 156 H TYR 19 H TYR 19 12.392 1.511 -4.157 157 HA TYR 19 HA TYR 19 10.150 0.050 -3.421 158 HB2 TYR 19 2HB TYR 19 11.001 -0.139 -5.651 159 HB3 TYR 19 3HB TYR 19 12.552 -0.740 -5.074 160 HD1 TYR 19 HD2 TYR 19 8.927 -1.609 -5.134 161 HD2 TYR 19 HD1 TYR 19 12.933 -3.033 -4.975 162 HE1 TYR 19 HE2 TYR 19 8.110 -3.917 -5.364 163 HE2 TYR 19 HE1 TYR 19 12.127 -5.345 -5.205 164 HH TYR 19 HH TYR 19 9.606 -6.487 -4.567 165 H ARG 20 H ARG 20 13.433 -0.181 -2.306 166 HA ARG 20 HA ARG 20 13.201 -2.784 -1.151 167 HB2 ARG 20 2HB ARG 20 15.167 -0.634 -0.366 168 HB3 ARG 20 3HB ARG 20 15.348 -2.374 -0.186 169 HG2 ARG 20 2HG ARG 20 15.013 -2.199 -2.855 170 HG3 ARG 20 3HG ARG 20 15.800 -0.654 -2.525 171 HD2 ARG 20 2HD ARG 20 16.897 -3.178 -1.356 172 HD3 ARG 20 3HD ARG 20 17.241 -2.761 -3.035 173 HE ARG 20 HE ARG 20 17.780 -0.608 -1.230 174 HH11 ARG 20 1HH1 ARG 20 19.049 -3.561 -2.568 175 HH12 ARG 20 2HH1 ARG 20 20.705 -3.114 -2.322 176 HH21 ARG 20 1HH2 ARG 20 19.956 -0.008 -0.901 177 HH22 ARG 20 2HH2 ARG 20 21.219 -1.094 -1.372 178 H HIS 21 H HIS 21 12.496 0.460 -0.109 179 HA HIS 21 HA HIS 21 12.190 -0.316 2.672 180 HB2 HIS 21 2HB HIS 21 12.046 2.254 1.152 181 HB3 HIS 21 3HB HIS 21 11.250 2.153 2.720 182 HD1 HIS 21 HD1 HIS 21 13.155 0.788 4.492 183 HD2 HIS 21 HD2 HIS 21 14.446 3.410 1.540 184 HE1 HIS 21 HE1 HIS 21 15.439 1.548 5.220 185 H TYR 22 H TYR 22 10.240 0.116 -0.159 186 HA TYR 22 HA TYR 22 7.745 0.233 1.295 187 HB2 TYR 22 2HB TYR 22 8.410 0.039 -1.643 188 HB3 TYR 22 3HB TYR 22 6.758 0.026 -1.035 189 HD1 TYR 22 HD2 TYR 22 6.616 2.038 0.960 190 HD2 TYR 22 HD1 TYR 22 8.896 2.062 -2.632 191 HE1 TYR 22 HE2 TYR 22 6.597 4.498 0.971 192 HE2 TYR 22 HE1 TYR 22 8.884 4.521 -2.631 193 HH TYR 22 HH TYR 22 8.208 6.359 -1.593 194 H ALA 23 H ALA 23 9.481 -2.126 -0.703 195 HA ALA 23 HA ALA 23 7.497 -4.157 -0.469 196 HB1 ALA 23 1HB ALA 23 9.376 -3.889 -2.228 197 HB2 ALA 23 2HB ALA 23 10.373 -4.743 -1.049 198 HB3 ALA 23 3HB ALA 23 8.922 -5.508 -1.697 199 H ALA 24 H ALA 24 10.152 -3.121 1.500 200 HA ALA 24 HA ALA 24 10.106 -5.564 3.096 201 HB1 ALA 24 1HB ALA 24 12.275 -4.580 2.543 202 HB2 ALA 24 2HB ALA 24 11.817 -3.097 3.381 203 HB3 ALA 24 3HB ALA 24 12.001 -4.599 4.286 204 H PHE 25 H PHE 25 7.954 -3.362 2.939 205 HA PHE 25 HA PHE 25 7.539 -3.224 5.834 206 HB2 PHE 25 2HB PHE 25 7.734 -0.917 3.953 207 HB3 PHE 25 3HB PHE 25 6.548 -0.830 5.251 208 HD1 PHE 25 HD1 PHE 25 10.149 -1.606 4.690 209 HD2 PHE 25 HD2 PHE 25 7.195 0.009 7.294 210 HE1 PHE 25 HE1 PHE 25 11.916 -0.894 6.247 211 HE2 PHE 25 HE2 PHE 25 8.957 0.725 8.855 212 HZ PHE 25 HZ PHE 25 11.321 0.275 8.332 213 H GLU 26 H GLU 26 6.056 -2.361 2.707 214 HA GLU 26 HA GLU 26 3.403 -2.438 3.453 215 HB2 GLU 26 2HB GLU 26 4.843 -2.941 0.889 216 HB3 GLU 26 3HB GLU 26 3.134 -3.343 0.975 217 HG2 GLU 26 2HG GLU 26 3.821 -0.689 2.009 218 HG3 GLU 26 3HG GLU 26 4.122 -0.918 0.288 219 H ARG 27 H ARG 27 5.374 -5.134 2.223 220 HA ARG 27 HA ARG 27 3.468 -6.982 3.493 221 HB2 ARG 27 2HB ARG 27 4.532 -6.977 0.711 222 HB3 ARG 27 3HB ARG 27 4.318 -8.532 1.503 223 HG2 ARG 27 2HG ARG 27 2.124 -6.489 1.333 224 HG3 ARG 27 3HG ARG 27 2.396 -7.711 0.089 225 HD2 ARG 27 2HD ARG 27 1.855 -8.253 3.007 226 HD3 ARG 27 3HD ARG 27 0.684 -8.410 1.698 227 HE ARG 27 HE ARG 27 2.860 -9.995 1.032 228 HH11 ARG 27 1HH1 ARG 27 0.447 -9.834 3.536 229 HH12 ARG 27 2HH1 ARG 27 0.448 -11.542 3.828 230 HH21 ARG 27 1HH2 ARG 27 2.870 -12.245 1.407 231 HH22 ARG 27 2HH2 ARG 27 1.827 -12.912 2.617 232 H ALA 28 H ALA 28 6.767 -6.386 2.409 233 HA ALA 28 HA ALA 28 8.781 -7.166 3.126 234 HB1 ALA 28 1HB ALA 28 8.524 -6.520 5.291 235 HB2 ALA 28 2HB ALA 28 7.045 -7.456 5.513 236 HB3 ALA 28 3HB ALA 28 8.613 -8.264 5.538 237 H THR 29 H THR 29 6.671 -8.975 1.828 238 HA THR 29 HA THR 29 7.516 -11.607 2.736 239 HB THR 29 HB THR 29 5.735 -11.069 0.369 240 HG1 THR 29 HG1 THR 29 4.963 -11.238 3.111 241 HG21 THR 29 3HG2 THR 29 5.827 -13.308 0.326 242 HG22 THR 29 1HG2 THR 29 4.810 -13.258 1.765 243 HG23 THR 29 2HG2 THR 29 6.561 -13.392 1.928 244 H PHE 30 H PHE 30 9.103 -9.460 1.080 245 HA PHE 30 HA PHE 30 10.115 -11.383 -0.909 246 HB2 PHE 30 2HB PHE 30 10.476 -8.441 -1.297 247 HB3 PHE 30 3HB PHE 30 10.382 -9.724 -2.500 248 HD1 PHE 30 HD1 PHE 30 8.453 -7.505 -0.311 249 HD2 PHE 30 HD2 PHE 30 8.273 -10.474 -3.356 250 HE1 PHE 30 HE1 PHE 30 6.083 -6.966 -0.692 251 HE2 PHE 30 HE2 PHE 30 5.903 -9.938 -3.743 252 HZ PHE 30 HZ PHE 30 4.806 -8.181 -2.411 Start of MODEL 20 1 H1 TYR 1 H TYR 1 5.944 -6.717 -8.067 2 HA TYR 1 HA TYR 1 3.954 -7.779 -6.279 3 HB2 TYR 1 2HB TYR 1 5.918 -6.303 -5.613 4 HB3 TYR 1 3HB TYR 1 5.022 -4.957 -6.310 5 HD1 TYR 1 HD2 TYR 1 2.897 -4.221 -5.285 6 HD2 TYR 1 HD1 TYR 1 5.304 -7.239 -3.496 7 HE1 TYR 1 HE2 TYR 1 1.682 -3.926 -3.167 8 HE2 TYR 1 HE1 TYR 1 4.095 -6.954 -1.373 9 HH TYR 1 HH TYR 1 1.191 -5.302 -1.121 10 H ALA 2 H ALA 2 4.096 -4.731 -8.132 11 HA ALA 2 HA ALA 2 1.287 -5.074 -8.860 12 HB1 ALA 2 1HB ALA 2 2.289 -3.114 -6.942 13 HB2 ALA 2 2HB ALA 2 1.333 -2.407 -8.245 14 HB3 ALA 2 3HB ALA 2 0.643 -3.679 -7.236 15 H GLU 3 H GLU 3 0.599 -3.632 -10.583 16 HA GLU 3 HA GLU 3 2.865 -2.836 -12.283 17 HB2 GLU 3 2HB GLU 3 0.144 -3.927 -12.882 18 HB3 GLU 3 3HB GLU 3 0.946 -2.918 -14.078 19 HG2 GLU 3 2HG GLU 3 2.830 -4.443 -14.139 20 HG3 GLU 3 3HG GLU 3 2.086 -5.438 -12.889 21 H LYS 4 H LYS 4 -0.144 -1.779 -10.863 22 HA LYS 4 HA LYS 4 -0.647 0.546 -12.276 23 HB2 LYS 4 2HB LYS 4 -1.064 -0.123 -9.365 24 HB3 LYS 4 3HB LYS 4 -1.626 1.384 -10.078 25 HG2 LYS 4 2HG LYS 4 -3.135 0.256 -11.505 26 HG3 LYS 4 3HG LYS 4 -2.409 -1.313 -11.148 27 HD2 LYS 4 2HD LYS 4 -4.393 -1.255 -9.887 28 HD3 LYS 4 3HD LYS 4 -3.106 -0.901 -8.731 29 HE2 LYS 4 2HE LYS 4 -4.571 1.304 -10.137 30 HE3 LYS 4 3HE LYS 4 -5.246 0.543 -8.697 31 HZ1 LYS 4 3HZ LYS 4 -4.001 1.935 -7.527 32 HZ2 LYS 4 1HZ LYS 4 -3.173 2.475 -8.900 33 HZ3 LYS 4 2HZ LYS 4 -2.630 1.106 -8.069 34 H VAL 5 H VAL 5 1.830 -0.126 -9.928 35 HA VAL 5 HA VAL 5 2.626 2.699 -9.879 36 HB VAL 5 HB VAL 5 3.723 0.439 -8.204 37 HG11 VAL 5 1HG1 VAL 5 5.247 2.308 -8.403 38 HG12 VAL 5 2HG1 VAL 5 3.963 3.437 -7.967 39 HG13 VAL 5 3HG1 VAL 5 4.556 2.273 -6.781 40 HG21 VAL 5 3HG2 VAL 5 1.281 2.040 -7.941 41 HG22 VAL 5 1HG2 VAL 5 1.712 0.495 -7.208 42 HG23 VAL 5 2HG2 VAL 5 2.290 2.001 -6.496 43 H ALA 6 H ALA 6 3.534 -0.400 -11.100 44 HA ALA 6 HA ALA 6 6.227 0.506 -11.784 45 HB1 ALA 6 1HB ALA 6 5.276 -1.939 -11.001 46 HB2 ALA 6 2HB ALA 6 5.428 -2.131 -12.748 47 HB3 ALA 6 3HB ALA 6 6.827 -1.647 -11.789 48 H GLN 7 H GLN 7 3.716 1.558 -13.033 49 HA GLN 7 HA GLN 7 4.242 0.778 -15.823 50 HB2 GLN 7 2HB GLN 7 1.995 1.484 -16.357 51 HB3 GLN 7 3HB GLN 7 1.937 0.354 -15.010 52 HG2 GLN 7 2HG GLN 7 1.640 2.176 -13.450 53 HG3 GLN 7 3HG GLN 7 1.796 3.349 -14.756 54 HE21 GLN 7 1HE2 GLN 7 -0.317 3.989 -13.780 55 HE22 GLN 7 2HE2 GLN 7 -1.741 3.241 -14.411 56 H GLU 8 H GLU 8 4.242 3.369 -13.545 57 HA GLU 8 HA GLU 8 4.111 5.563 -15.298 58 HB2 GLU 8 2HB GLU 8 5.200 5.148 -12.539 59 HB3 GLU 8 3HB GLU 8 5.521 6.659 -13.378 60 HG2 GLU 8 2HG GLU 8 2.802 5.515 -12.782 61 HG3 GLU 8 3HG GLU 8 3.584 6.840 -11.921 62 H LYS 9 H LYS 9 6.655 3.339 -14.551 63 HA LYS 9 HA LYS 9 8.376 4.695 -16.491 64 HB2 LYS 9 2HB LYS 9 9.041 4.106 -13.637 65 HB3 LYS 9 3HB LYS 9 10.312 3.977 -14.846 66 HG2 LYS 9 2HG LYS 9 8.679 6.444 -14.869 67 HG3 LYS 9 3HG LYS 9 9.803 6.226 -13.526 68 HD2 LYS 9 2HD LYS 9 11.458 5.588 -15.491 69 HD3 LYS 9 3HD LYS 9 10.347 6.590 -16.429 70 HE2 LYS 9 2HE LYS 9 10.823 8.496 -15.184 71 HE3 LYS 9 3HE LYS 9 11.454 7.569 -13.824 72 HZ1 LYS 9 3HZ LYS 9 13.004 7.021 -16.102 73 HZ2 LYS 9 1HZ LYS 9 13.479 7.763 -14.657 74 HZ3 LYS 9 2HZ LYS 9 12.880 8.700 -15.932 75 H GLY 10 H GLY 10 7.799 1.815 -14.508 76 HA2 GLY 10 2HA GLY 10 7.560 -0.230 -15.999 77 HA3 GLY 10 3HA GLY 10 9.160 0.210 -16.578 78 H PHE 11 H PHE 11 9.585 -2.052 -15.865 79 HA PHE 11 HA PHE 11 9.585 -2.716 -13.108 80 HB2 PHE 11 2HB PHE 11 9.584 -4.432 -14.860 81 HB3 PHE 11 3HB PHE 11 11.181 -3.909 -15.385 82 HD1 PHE 11 HD1 PHE 11 9.422 -5.108 -12.325 83 HD2 PHE 11 HD2 PHE 11 13.022 -5.035 -14.595 84 HE1 PHE 11 HE1 PHE 11 10.452 -6.679 -10.735 85 HE2 PHE 11 HE2 PHE 11 14.057 -6.607 -13.010 86 HZ PHE 11 HZ PHE 11 12.772 -7.431 -11.077 87 H LEU 12 H LEU 12 12.077 -1.498 -15.307 88 HA LEU 12 HA LEU 12 14.302 -1.657 -13.689 89 HB2 LEU 12 2HB LEU 12 13.623 0.632 -15.528 90 HB3 LEU 12 3HB LEU 12 15.232 0.168 -14.979 91 HG LEU 12 HG LEU 12 13.605 -1.796 -16.530 92 HD11 LEU 12 1HD1 LEU 12 15.303 0.277 -17.884 93 HD12 LEU 12 2HD1 LEU 12 13.561 0.469 -17.686 94 HD13 LEU 12 3HD1 LEU 12 14.199 -0.891 -18.612 95 HD21 LEU 12 3HD2 LEU 12 15.552 -2.809 -15.925 96 HD22 LEU 12 1HD2 LEU 12 16.454 -1.294 -15.865 97 HD23 LEU 12 2HD2 LEU 12 16.092 -2.044 -17.420 98 H TYR 13 H TYR 13 11.620 0.566 -13.521 99 HA TYR 13 HA TYR 13 12.838 2.482 -11.819 100 HB2 TYR 13 2HB TYR 13 10.936 3.284 -12.896 101 HB3 TYR 13 3HB TYR 13 10.012 1.822 -12.572 102 HD1 TYR 13 HD1 TYR 13 11.148 5.027 -11.209 103 HD2 TYR 13 HD2 TYR 13 8.884 1.506 -10.447 104 HE1 TYR 13 HE1 TYR 13 10.115 6.120 -9.264 105 HE2 TYR 13 HE2 TYR 13 7.843 2.591 -8.500 106 HH TYR 13 HH TYR 13 7.484 4.626 -7.499 107 H ARG 14 H ARG 14 10.878 -0.401 -11.226 108 HA ARG 14 HA ARG 14 10.511 -0.114 -8.477 109 HB2 ARG 14 2HB ARG 14 10.888 -2.699 -10.000 110 HB3 ARG 14 3HB ARG 14 10.112 -2.517 -8.433 111 HG2 ARG 14 2HG ARG 14 9.120 -1.319 -11.011 112 HG3 ARG 14 3HG ARG 14 8.496 -2.787 -10.254 113 HD2 ARG 14 2HD ARG 14 8.486 -0.809 -8.261 114 HD3 ARG 14 3HD ARG 14 7.850 -0.041 -9.716 115 HE ARG 14 HE ARG 14 6.542 -2.449 -9.529 116 HH11 ARG 14 1HH1 ARG 14 6.911 0.372 -7.522 117 HH12 ARG 14 2HH1 ARG 14 5.359 0.202 -6.772 118 HH21 ARG 14 1HH2 ARG 14 4.496 -2.684 -8.548 119 HH22 ARG 14 2HH2 ARG 14 3.987 -1.537 -7.355 120 H LEU 15 H LEU 15 13.316 -1.025 -10.294 121 HA LEU 15 HA LEU 15 14.721 -2.258 -8.127 122 HB2 LEU 15 2HB LEU 15 15.919 -1.055 -10.610 123 HB3 LEU 15 3HB LEU 15 16.604 -2.312 -9.582 124 HG LEU 15 HG LEU 15 14.128 -2.661 -11.269 125 HD11 LEU 15 1HD1 LEU 15 16.947 -3.573 -11.828 126 HD12 LEU 15 2HD1 LEU 15 16.117 -2.255 -12.655 127 HD13 LEU 15 3HD1 LEU 15 15.519 -3.906 -12.809 128 HD21 LEU 15 3HD2 LEU 15 15.858 -4.605 -9.745 129 HD22 LEU 15 1HD2 LEU 15 14.559 -5.057 -10.848 130 HD23 LEU 15 2HD2 LEU 15 14.192 -4.156 -9.376 131 H THR 16 H THR 16 14.208 -0.471 -6.595 132 HA THR 16 HA THR 16 16.402 1.476 -6.617 133 HB THR 16 HB THR 16 14.885 3.234 -5.739 134 HG1 THR 16 HG1 THR 16 12.793 2.851 -5.478 135 HG21 THR 16 3HG2 THR 16 14.444 2.077 -8.471 136 HG22 THR 16 1HG2 THR 16 15.359 3.511 -8.007 137 HG23 THR 16 2HG2 THR 16 13.596 3.536 -7.959 138 H SER 17 H SER 17 16.275 2.708 -4.357 139 HA SER 17 HA SER 17 16.701 0.677 -2.386 140 HB2 SER 17 2HB SER 17 17.927 2.954 -2.677 141 HB3 SER 17 3HB SER 17 16.576 3.614 -1.755 142 HG SER 17 HG SER 17 17.456 2.833 -0.025 143 H ARG 18 H ARG 18 14.331 3.285 -2.807 144 HA ARG 18 HA ARG 18 12.903 2.929 -0.444 145 HB2 ARG 18 2HB ARG 18 12.143 3.968 -3.158 146 HB3 ARG 18 3HB ARG 18 10.943 3.837 -1.880 147 HG2 ARG 18 2HG ARG 18 11.704 6.043 -1.774 148 HG3 ARG 18 3HG ARG 18 12.538 5.215 -0.458 149 HD2 ARG 18 2HD ARG 18 14.567 5.161 -1.627 150 HD3 ARG 18 3HD ARG 18 13.786 5.503 -3.170 151 HE ARG 18 HE ARG 18 13.359 7.666 -1.436 152 HH11 ARG 18 1HH1 ARG 18 15.931 6.115 -3.198 153 HH12 ARG 18 2HH1 ARG 18 16.861 7.566 -3.374 154 HH21 ARG 18 1HH2 ARG 18 14.575 9.583 -1.661 155 HH22 ARG 18 2HH2 ARG 18 16.090 9.538 -2.499 156 H TYR 19 H TYR 19 12.397 1.435 -3.628 157 HA TYR 19 HA TYR 19 10.106 -0.012 -3.106 158 HB2 TYR 19 2HB TYR 19 10.975 0.060 -5.335 159 HB3 TYR 19 3HB TYR 19 12.485 -0.696 -4.838 160 HD1 TYR 19 HD1 TYR 19 8.813 -1.385 -4.905 161 HD2 TYR 19 HD2 TYR 19 12.752 -2.968 -5.185 162 HE1 TYR 19 HE1 TYR 19 7.880 -3.593 -5.457 163 HE2 TYR 19 HE2 TYR 19 11.830 -5.180 -5.739 164 HH TYR 19 HH TYR 19 9.660 -6.065 -6.766 165 H ARG 20 H ARG 20 13.397 -0.653 -2.118 166 HA ARG 20 HA ARG 20 12.985 -3.347 -1.302 167 HB2 ARG 20 2HB ARG 20 15.071 -1.469 -0.201 168 HB3 ARG 20 3HB ARG 20 15.148 -3.222 -0.319 169 HG2 ARG 20 2HG ARG 20 14.802 -2.479 -2.928 170 HG3 ARG 20 3HG ARG 20 15.807 -1.177 -2.288 171 HD2 ARG 20 2HD ARG 20 16.972 -3.428 -1.228 172 HD3 ARG 20 3HD ARG 20 16.468 -3.967 -2.830 173 HE ARG 20 HE ARG 20 18.107 -2.660 -3.736 174 HH11 ARG 20 1HH1 ARG 20 17.504 -1.608 -0.472 175 HH12 ARG 20 2HH1 ARG 20 18.827 -0.490 -0.450 176 HH21 ARG 20 1HH2 ARG 20 19.851 -1.191 -3.719 177 HH22 ARG 20 2HH2 ARG 20 20.161 -0.252 -2.297 178 H HIS 21 H HIS 21 13.076 -0.262 0.464 179 HA HIS 21 HA HIS 21 12.613 -1.317 3.021 180 HB2 HIS 21 2HB HIS 21 11.881 1.401 1.914 181 HB3 HIS 21 3HB HIS 21 11.901 0.977 3.623 182 HD1 HIS 21 HD1 HIS 21 14.358 0.210 4.534 183 HD2 HIS 21 HD2 HIS 21 14.244 2.351 0.975 184 HE1 HIS 21 HE1 HIS 21 16.691 1.086 4.202 185 H TYR 22 H TYR 22 10.458 -0.606 0.380 186 HA TYR 22 HA TYR 22 8.041 -0.599 1.869 187 HB2 TYR 22 2HB TYR 22 8.726 -0.891 -1.036 188 HB3 TYR 22 3HB TYR 22 7.079 -1.186 -0.488 189 HD1 TYR 22 HD2 TYR 22 6.102 0.733 1.074 190 HD2 TYR 22 HD1 TYR 22 9.274 1.245 -1.715 191 HE1 TYR 22 HE2 TYR 22 5.641 3.147 1.002 192 HE2 TYR 22 HE1 TYR 22 8.822 3.661 -1.794 193 HH TYR 22 HH TYR 22 7.231 5.255 -1.290 194 H ALA 23 H ALA 23 9.492 -3.084 -0.239 195 HA ALA 23 HA ALA 23 7.642 -5.108 0.341 196 HB1 ALA 23 1HB ALA 23 8.854 -6.335 -1.085 197 HB2 ALA 23 2HB ALA 23 9.774 -4.853 -1.350 198 HB3 ALA 23 3HB ALA 23 10.354 -6.056 -0.198 199 H ALA 24 H ALA 24 10.469 -3.997 2.057 200 HA ALA 24 HA ALA 24 10.683 -6.282 3.773 201 HB1 ALA 24 1HB ALA 24 11.863 -3.966 4.951 202 HB2 ALA 24 2HB ALA 24 12.651 -5.370 4.231 203 HB3 ALA 24 3HB ALA 24 12.226 -3.986 3.225 204 H PHE 25 H PHE 25 8.432 -3.859 3.576 205 HA PHE 25 HA PHE 25 7.696 -4.208 6.404 206 HB2 PHE 25 2HB PHE 25 7.769 -1.689 4.769 207 HB3 PHE 25 3HB PHE 25 6.661 -1.840 6.129 208 HD1 PHE 25 HD1 PHE 25 10.261 -2.482 5.374 209 HD2 PHE 25 HD2 PHE 25 7.377 -1.010 8.137 210 HE1 PHE 25 HE1 PHE 25 12.070 -1.835 6.911 211 HE2 PHE 25 HE2 PHE 25 9.181 -0.360 9.679 212 HZ PHE 25 HZ PHE 25 11.531 -0.771 9.066 213 H GLU 26 H GLU 26 6.880 -4.868 3.318 214 HA GLU 26 HA GLU 26 4.000 -4.871 3.939 215 HB2 GLU 26 2HB GLU 26 5.443 -3.966 1.525 216 HB3 GLU 26 3HB GLU 26 4.009 -4.940 1.231 217 HG2 GLU 26 2HG GLU 26 3.903 -2.606 3.094 218 HG3 GLU 26 3HG GLU 26 3.794 -2.374 1.350 219 H ARG 27 H ARG 27 6.697 -6.516 2.398 220 HA ARG 27 HA ARG 27 5.213 -9.035 2.628 221 HB2 ARG 27 2HB ARG 27 5.928 -9.778 0.447 222 HB3 ARG 27 3HB ARG 27 5.082 -8.246 0.277 223 HG2 ARG 27 2HG ARG 27 6.848 -7.283 -0.657 224 HG3 ARG 27 3HG ARG 27 7.918 -7.843 0.629 225 HD2 ARG 27 2HD ARG 27 7.629 -10.150 -0.633 226 HD3 ARG 27 3HD ARG 27 7.276 -9.086 -1.995 227 HE ARG 27 HE ARG 27 9.624 -8.200 -0.752 228 HH11 ARG 27 1HH1 ARG 27 8.452 -10.896 -2.616 229 HH12 ARG 27 2HH1 ARG 27 9.998 -11.255 -3.311 230 HH21 ARG 27 1HH2 ARG 27 11.665 -8.663 -1.660 231 HH22 ARG 27 2HH2 ARG 27 11.825 -9.985 -2.766 232 H ALA 28 H ALA 28 7.250 -7.868 4.298 233 HA ALA 28 HA ALA 28 9.766 -9.105 3.725 234 HB1 ALA 28 1HB ALA 28 10.440 -7.624 5.228 235 HB2 ALA 28 2HB ALA 28 8.763 -7.217 5.598 236 HB3 ALA 28 3HB ALA 28 9.574 -8.507 6.486 237 H THR 29 H THR 29 7.725 -9.596 6.600 238 HA THR 29 HA THR 29 8.534 -12.420 6.591 239 HB THR 29 HB THR 29 8.974 -10.939 8.628 240 HG1 THR 29 HG1 THR 29 8.362 -12.692 10.033 241 HG21 THR 29 3HG2 THR 29 6.069 -11.451 9.218 242 HG22 THR 29 1HG2 THR 29 6.631 -9.937 8.512 243 HG23 THR 29 2HG2 THR 29 7.204 -10.434 10.104 244 H PHE 30 H PHE 30 5.791 -10.292 6.430 245 HA PHE 30 HA PHE 30 3.976 -12.607 6.470 246 HB2 PHE 30 2HB PHE 30 2.213 -10.689 6.660 247 HB3 PHE 30 3HB PHE 30 3.146 -11.152 8.080 248 HD1 PHE 30 HD2 PHE 30 3.784 -8.931 5.146 249 HD2 PHE 30 HD1 PHE 30 3.661 -9.343 9.381 250 HE1 PHE 30 HE2 PHE 30 4.554 -6.607 5.391 251 HE2 PHE 30 HE1 PHE 30 4.430 -7.019 9.633 252 HZ PHE 30 HZ PHE 30 4.879 -5.648 7.637
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