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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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616315 |
5l82 ![]() ![]() |
34006 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 2.833 -0.783 -1.175 3 HB2 MET 1 2HB MET 1 1.752 -0.230 -3.341 4 HB3 MET 1 3HB MET 1 0.773 -1.285 -2.330 5 HG2 MET 1 2HG MET 1 -0.003 1.317 -1.672 6 HG3 MET 1 3HG MET 1 0.152 1.292 -3.427 7 HE1 MET 1 1HE MET 1 -2.666 1.368 -1.198 8 HE2 MET 1 2HE MET 1 -2.407 2.076 -2.792 9 HE3 MET 1 3HE MET 1 -3.708 0.910 -2.545 10 H LYS 2 H LYS 2 4.458 0.394 -2.059 11 HA LYS 2 HA LYS 2 4.169 3.263 -2.415 12 HB2 LYS 2 2HB LYS 2 6.247 2.100 -0.550 13 HB3 LYS 2 3HB LYS 2 6.143 3.786 -1.040 14 HG2 LYS 2 2HG LYS 2 3.791 3.740 -0.033 15 HG3 LYS 2 3HG LYS 2 4.295 2.233 0.734 16 HD2 LYS 2 2HD LYS 2 6.299 3.523 1.612 17 HD3 LYS 2 3HD LYS 2 5.461 4.985 1.087 18 HE2 LYS 2 2HE LYS 2 3.582 4.453 2.528 19 HE3 LYS 2 3HE LYS 2 4.347 2.938 3.003 20 HZ1 LYS 2 1HZ LYS 2 5.406 4.012 4.601 21 HZ2 LYS 2 2HZ LYS 2 4.667 5.465 4.150 22 HZ3 LYS 2 3HZ LYS 2 6.153 5.026 3.471 23 H PHE 3 H PHE 3 4.380 1.989 -4.563 24 HA PHE 3 HA PHE 3 7.227 1.687 -5.247 25 HB2 PHE 3 2HB PHE 3 4.736 0.397 -6.302 26 HB3 PHE 3 3HB PHE 3 6.153 0.529 -7.338 27 HD1 PHE 3 HD1 PHE 3 7.320 -1.432 -7.476 28 HD2 PHE 3 HD2 PHE 3 5.578 -0.335 -3.750 29 HE1 PHE 3 HE1 PHE 3 8.262 -3.457 -6.443 30 HE2 PHE 3 HE2 PHE 3 6.519 -2.358 -2.711 31 HZ PHE 3 HZ PHE 3 7.863 -3.921 -4.058 32 H LYS 4 H LYS 4 7.768 2.297 -7.533 33 HA LYS 4 HA LYS 4 6.367 4.788 -8.249 34 HB2 LYS 4 2HB LYS 4 9.230 4.092 -8.906 35 HB3 LYS 4 3HB LYS 4 8.442 5.656 -9.075 36 HG2 LYS 4 2HG LYS 4 9.444 6.105 -7.125 37 HG3 LYS 4 3HG LYS 4 8.095 5.202 -6.431 38 HD2 LYS 4 2HD LYS 4 9.843 4.110 -5.440 39 HD3 LYS 4 3HD LYS 4 9.689 3.147 -6.911 40 HE2 LYS 4 2HE LYS 4 11.618 3.956 -7.806 41 HE3 LYS 4 3HE LYS 4 11.447 5.530 -7.029 42 HZ1 LYS 4 1HZ LYS 4 12.700 4.879 -5.332 43 HZ2 LYS 4 2HZ LYS 4 13.122 3.523 -6.249 44 HZ3 LYS 4 3HZ LYS 4 11.851 3.428 -5.136 45 H PHE 5 H PHE 5 7.584 1.737 -9.385 46 HA PHE 5 HA PHE 5 7.057 2.373 -12.169 47 HB2 PHE 5 2HB PHE 5 8.201 0.005 -10.725 48 HB3 PHE 5 3HB PHE 5 7.654 -0.157 -12.391 49 HD1 PHE 5 HD1 PHE 5 9.608 2.369 -10.451 50 HD2 PHE 5 HD2 PHE 5 9.355 -0.090 -13.916 51 HE1 PHE 5 HE1 PHE 5 11.761 3.262 -11.238 52 HE2 PHE 5 HE2 PHE 5 11.508 0.798 -14.708 53 HZ PHE 5 HZ PHE 5 12.715 2.476 -13.368 54 H ASN 6 H ASN 6 5.650 0.505 -9.549 55 HA ASN 6 HA ASN 6 3.800 -1.031 -10.903 56 HB2 ASN 6 2HB ASN 6 4.055 0.051 -8.182 57 HB3 ASN 6 3HB ASN 6 2.398 -0.297 -8.666 58 HD21 ASN 6 1HD2 ASN 6 5.512 -1.868 -9.311 59 HD22 ASN 6 2HD2 ASN 6 5.034 -3.429 -8.747 60 HA PRO 7 HA PRO 7 0.743 1.611 -12.611 61 HB2 PRO 7 2HB PRO 7 -1.556 0.261 -12.095 62 HB3 PRO 7 3HB PRO 7 -0.374 -0.277 -13.295 63 HG2 PRO 7 2HG PRO 7 -0.779 -1.215 -10.481 64 HG3 PRO 7 3HG PRO 7 -0.471 -2.168 -11.945 65 HD2 PRO 7 2HD PRO 7 1.471 -1.585 -10.151 66 HD3 PRO 7 3HD PRO 7 1.796 -1.756 -11.888 67 H THR 8 H THR 8 0.167 0.552 -9.294 68 HA THR 8 HA THR 8 -1.887 2.317 -8.612 69 HB THR 8 HB THR 8 -0.992 0.375 -7.227 70 HG1 THR 8 HG1 THR 8 -1.335 1.764 -5.207 71 HG21 THR 8 1HG2 THR 8 0.928 2.491 -6.248 72 HG22 THR 8 2HG2 THR 8 1.375 1.113 -7.253 73 HG23 THR 8 3HG2 THR 8 0.756 0.851 -5.623 74 H GLY 9 H GLY 9 1.428 2.919 -9.242 75 HA2 GLY 9 2HA GLY 9 2.038 5.096 -7.656 76 HA3 GLY 9 3HA GLY 9 2.626 4.879 -9.298 77 H THR 10 H THR 10 0.184 5.053 -10.673 78 HA THR 10 HA THR 10 -0.118 7.901 -10.757 79 HB THR 10 HB THR 10 -1.692 5.783 -12.234 80 HG1 THR 10 HG1 THR 10 -0.127 6.699 -13.941 81 HG21 THR 10 1HG2 THR 10 -2.832 7.429 -13.221 82 HG22 THR 10 2HG2 THR 10 -1.354 8.327 -13.565 83 HG23 THR 10 3HG2 THR 10 -2.164 8.522 -12.011 84 H ILE 11 H ILE 11 -2.330 5.207 -10.020 85 HA ILE 11 HA ILE 11 -4.596 6.684 -9.416 86 HB ILE 11 HB ILE 11 -3.680 4.106 -8.137 87 HG12 ILE 11 2HG1 ILE 11 -5.727 3.539 -9.895 88 HG13 ILE 11 3HG1 ILE 11 -4.830 4.794 -10.743 89 HG21 ILE 11 1HG2 ILE 11 -6.056 3.763 -7.606 90 HG22 ILE 11 2HG2 ILE 11 -5.389 5.176 -6.789 91 HG23 ILE 11 3HG2 ILE 11 -6.412 5.381 -8.211 92 HD11 ILE 11 1HD1 ILE 11 -2.770 3.309 -10.094 93 HD12 ILE 11 2HD1 ILE 11 -3.997 2.047 -9.986 94 HD13 ILE 11 3HD1 ILE 11 -3.767 2.925 -11.497 95 H VAL 12 H VAL 12 -2.137 5.485 -7.126 96 HA VAL 12 HA VAL 12 -3.144 6.632 -4.815 97 HB VAL 12 HB VAL 12 -0.254 6.179 -5.567 98 HG11 VAL 12 1HG1 VAL 12 -1.498 6.732 -2.876 99 HG12 VAL 12 2HG1 VAL 12 0.168 6.209 -3.133 100 HG13 VAL 12 3HG1 VAL 12 -0.374 7.770 -3.752 101 HG21 VAL 12 1HG2 VAL 12 -1.698 4.446 -3.651 102 HG22 VAL 12 2HG2 VAL 12 -2.130 4.290 -5.353 103 HG23 VAL 12 3HG2 VAL 12 -0.462 4.038 -4.841 104 H LYS 13 H LYS 13 -1.328 8.089 -7.418 105 HA LYS 13 HA LYS 13 -0.730 10.513 -6.004 106 HB2 LYS 13 2HB LYS 13 0.646 10.860 -7.729 107 HB3 LYS 13 3HB LYS 13 0.117 9.316 -8.385 108 HG2 LYS 13 2HG LYS 13 -1.655 10.451 -9.628 109 HG3 LYS 13 3HG LYS 13 -1.119 12.000 -8.972 110 HD2 LYS 13 2HD LYS 13 0.863 10.279 -10.383 111 HD3 LYS 13 3HD LYS 13 -0.321 11.169 -11.343 112 HE2 LYS 13 2HE LYS 13 0.904 12.800 -9.268 113 HE3 LYS 13 3HE LYS 13 2.085 12.140 -10.397 114 HZ1 LYS 13 1HZ LYS 13 1.269 13.352 -12.104 115 HZ2 LYS 13 2HZ LYS 13 0.781 14.382 -10.855 116 HZ3 LYS 13 3HZ LYS 13 -0.327 13.306 -11.545 117 H LYS 14 H LYS 14 -3.269 9.389 -8.145 118 HA LYS 14 HA LYS 14 -4.454 11.981 -8.494 119 HB2 LYS 14 2HB LYS 14 -5.492 9.201 -9.065 120 HB3 LYS 14 3HB LYS 14 -6.346 10.679 -9.488 121 HG2 LYS 14 2HG LYS 14 -3.674 9.774 -10.537 122 HG3 LYS 14 3HG LYS 14 -5.201 9.838 -11.421 123 HD2 LYS 14 2HD LYS 14 -5.240 12.292 -11.088 124 HD3 LYS 14 3HD LYS 14 -3.658 12.183 -10.314 125 HE2 LYS 14 2HE LYS 14 -2.907 12.598 -12.399 126 HE3 LYS 14 3HE LYS 14 -3.158 10.866 -12.610 127 HZ1 LYS 14 1HZ LYS 14 -5.336 11.325 -13.539 128 HZ2 LYS 14 2HZ LYS 14 -4.139 12.136 -14.417 129 HZ3 LYS 14 3HZ LYS 14 -5.109 12.988 -13.324 130 H LEU 15 H LEU 15 -5.291 9.073 -6.624 131 HA LEU 15 HA LEU 15 -7.617 10.026 -5.430 132 HB2 LEU 15 2HB LEU 15 -5.579 7.982 -4.682 133 HB3 LEU 15 3HB LEU 15 -6.816 8.428 -3.508 134 HG LEU 15 HG LEU 15 -7.224 6.364 -4.964 135 HD11 LEU 15 1HD1 LEU 15 -9.436 6.594 -4.572 136 HD12 LEU 15 2HD1 LEU 15 -9.515 8.192 -5.312 137 HD13 LEU 15 3HD1 LEU 15 -8.894 8.011 -3.672 138 HD21 LEU 15 1HD2 LEU 15 -7.889 8.508 -6.979 139 HD22 LEU 15 2HD2 LEU 15 -8.195 6.780 -7.153 140 HD23 LEU 15 3HD2 LEU 15 -6.538 7.380 -7.089 141 H THR 16 H THR 16 -4.260 10.601 -4.642 142 HA THR 16 HA THR 16 -4.756 11.765 -2.078 143 HB THR 16 HB THR 16 -2.335 11.986 -3.877 144 HG1 THR 16 HG1 THR 16 -3.026 10.259 -1.726 145 HG21 THR 16 1HG2 THR 16 -1.533 12.335 -1.250 146 HG22 THR 16 2HG2 THR 16 -3.018 13.280 -1.364 147 HG23 THR 16 3HG2 THR 16 -1.682 13.599 -2.470 148 H GLN 17 H GLN 17 -4.656 12.937 -5.357 149 HA GLN 17 HA GLN 17 -4.234 15.650 -4.960 150 HB2 GLN 17 2HB GLN 17 -4.672 14.159 -7.133 151 HB3 GLN 17 3HB GLN 17 -6.281 14.846 -6.961 152 HG2 GLN 17 2HG GLN 17 -5.607 16.722 -7.907 153 HG3 GLN 17 3HG GLN 17 -4.377 16.934 -6.663 154 HE21 GLN 17 1HE2 GLN 17 -4.831 14.663 -9.355 155 HE22 GLN 17 2HE2 GLN 17 -3.274 14.921 -10.058 156 H TYR 18 H TYR 18 -7.003 13.706 -4.229 157 HA TYR 18 HA TYR 18 -8.685 16.057 -3.796 158 HB2 TYR 18 2HB TYR 18 -9.326 13.107 -3.598 159 HB3 TYR 18 3HB TYR 18 -10.487 14.412 -3.379 160 HD1 TYR 18 HD1 TYR 18 -8.131 12.962 -5.870 161 HD2 TYR 18 HD2 TYR 18 -11.641 15.276 -5.216 162 HE1 TYR 18 HE1 TYR 18 -8.574 12.964 -8.290 163 HE2 TYR 18 HE2 TYR 18 -12.094 15.283 -7.633 164 HH TYR 18 HH TYR 18 -9.838 13.805 -9.930 165 H GLU 19 H GLU 19 -6.889 13.638 -2.063 166 HA GLU 19 HA GLU 19 -8.124 14.066 0.476 167 HB2 GLU 19 2HB GLU 19 -5.439 12.860 -0.215 168 HB3 GLU 19 3HB GLU 19 -6.198 12.798 1.369 169 HG2 GLU 19 2HG GLU 19 -7.494 11.674 -1.094 170 HG3 GLU 19 3HG GLU 19 -6.410 10.736 -0.068 171 H ILE 20 H ILE 20 -5.307 15.378 -1.177 172 HA ILE 20 HA ILE 20 -4.053 16.699 0.906 173 HB ILE 20 HB ILE 20 -4.344 17.672 -1.938 174 HG12 ILE 20 2HG1 ILE 20 -1.850 16.385 -1.007 175 HG13 ILE 20 3HG1 ILE 20 -3.244 15.319 -1.155 176 HG21 ILE 20 1HG2 ILE 20 -1.872 18.429 -0.843 177 HG22 ILE 20 2HG2 ILE 20 -3.223 19.472 -1.283 178 HG23 ILE 20 3HG2 ILE 20 -3.095 18.842 0.359 179 HD11 ILE 20 1HD1 ILE 20 -1.555 16.441 -3.201 180 HD12 ILE 20 2HD1 ILE 20 -2.735 15.134 -3.301 181 HD13 ILE 20 3HD1 ILE 20 -3.255 16.808 -3.495 182 H ALA 21 H ALA 21 -6.949 17.565 -0.857 183 HA ALA 21 HA ALA 21 -7.223 20.241 -0.253 184 HB1 ALA 21 1HB ALA 21 -8.892 18.173 -1.224 185 HB2 ALA 21 2HB ALA 21 -9.776 19.020 0.047 186 HB3 ALA 21 3HB ALA 21 -9.134 19.917 -1.329 187 H TRP 22 H TRP 22 -8.130 17.449 1.743 188 HA TRP 22 HA TRP 22 -9.372 18.744 3.840 189 HB2 TRP 22 2HB TRP 22 -9.346 16.339 3.737 190 HB3 TRP 22 3HB TRP 22 -7.591 16.302 3.874 191 HD1 TRP 22 HD1 TRP 22 -6.553 16.934 6.319 192 HE1 TRP 22 HE1 TRP 22 -7.558 16.664 8.673 193 HE3 TRP 22 HE3 TRP 22 -11.474 16.397 5.042 194 HZ2 TRP 22 HZ2 TRP 22 -10.101 16.273 9.834 195 HZ3 TRP 22 HZ3 TRP 22 -13.129 16.079 6.835 196 HH2 TRP 22 HH2 TRP 22 -12.455 16.018 9.180 197 H PHE 23 H PHE 23 -5.906 18.183 3.346 198 HA PHE 23 HA PHE 23 -5.158 19.473 5.794 199 HB2 PHE 23 2HB PHE 23 -3.607 17.870 5.089 200 HB3 PHE 23 3HB PHE 23 -3.656 18.420 3.417 201 HD1 PHE 23 HD1 PHE 23 -2.153 20.043 2.627 202 HD2 PHE 23 HD2 PHE 23 -2.448 19.277 6.803 203 HE1 PHE 23 HE1 PHE 23 -0.141 21.404 3.015 204 HE2 PHE 23 HE2 PHE 23 -0.437 20.638 7.198 205 HZ PHE 23 HZ PHE 23 0.719 21.704 5.303 206 H LYS 24 H LYS 24 -5.627 20.448 2.485 207 HA LYS 24 HA LYS 24 -4.191 22.860 2.502 208 HB2 LYS 24 2HB LYS 24 -5.039 21.828 0.446 209 HB3 LYS 24 3HB LYS 24 -6.692 22.137 0.962 210 HG2 LYS 24 2HG LYS 24 -6.415 23.913 -0.414 211 HG3 LYS 24 3HG LYS 24 -5.791 24.628 1.075 212 HD2 LYS 24 2HD LYS 24 -3.501 23.808 0.318 213 HD3 LYS 24 3HD LYS 24 -4.247 23.516 -1.255 214 HE2 LYS 24 2HE LYS 24 -4.349 26.174 0.157 215 HE3 LYS 24 3HE LYS 24 -3.079 25.736 -0.984 216 HZ1 LYS 24 1HZ LYS 24 -4.668 26.896 -2.224 217 HZ2 LYS 24 2HZ LYS 24 -5.969 26.082 -1.513 218 HZ3 LYS 24 3HZ LYS 24 -4.953 25.270 -2.594 219 H ASN 25 H ASN 25 -7.320 22.006 3.775 220 HA ASN 25 HA ASN 25 -8.183 24.724 4.155 221 HB2 ASN 25 2HB ASN 25 -9.258 22.068 5.106 222 HB3 ASN 25 3HB ASN 25 -9.997 23.605 5.542 223 HD21 ASN 25 1HD2 ASN 25 -10.145 21.100 3.447 224 HD22 ASN 25 2HD2 ASN 25 -10.954 21.866 2.127 225 H LYS 26 H LYS 26 -6.040 22.682 5.743 226 HA LYS 26 HA LYS 26 -6.476 23.866 8.376 227 HB2 LYS 26 2HB LYS 26 -4.323 21.895 7.626 228 HB3 LYS 26 3HB LYS 26 -4.975 22.233 9.224 229 HG2 LYS 26 2HG LYS 26 -6.527 20.962 6.979 230 HG3 LYS 26 3HG LYS 26 -5.731 20.079 8.285 231 HD2 LYS 26 2HD LYS 26 -7.137 21.163 9.926 232 HD3 LYS 26 3HD LYS 26 -7.868 22.174 8.677 233 HE2 LYS 26 2HE LYS 26 -8.133 19.485 7.847 234 HE3 LYS 26 3HE LYS 26 -8.615 19.557 9.542 235 HZ1 LYS 26 1HZ LYS 26 -10.123 20.284 7.352 236 HZ2 LYS 26 2HZ LYS 26 -9.699 21.742 8.097 237 HZ3 LYS 26 3HZ LYS 26 -10.502 20.544 8.980 238 H HIS 27 H HIS 27 -4.256 23.979 5.684 239 HA HIS 27 HA HIS 27 -2.920 26.262 6.939 240 HB2 HIS 27 2HB HIS 27 -1.422 24.012 5.583 241 HB3 HIS 27 3HB HIS 27 -0.714 25.462 6.288 242 HD1 HIS 27 HD1 HIS 27 -2.445 22.263 7.287 243 HD2 HIS 27 HD2 HIS 27 -0.227 25.334 8.993 244 HE1 HIS 27 HE1 HIS 27 -1.945 21.508 9.633 245 H GLY 28 H GLY 28 -3.283 24.319 3.984 246 HA2 GLY 28 2HA GLY 28 -4.063 25.249 1.934 247 HA3 GLY 28 3HA GLY 28 -3.493 26.824 2.466 248 H TYR 29 H TYR 29 -1.504 23.982 2.782 249 HA TYR 29 HA TYR 29 0.133 24.908 0.515 250 HB2 TYR 29 2HB TYR 29 0.987 24.124 3.291 251 HB3 TYR 29 3HB TYR 29 2.103 24.023 1.933 252 HD1 TYR 29 HD1 TYR 29 -0.226 26.443 3.567 253 HD2 TYR 29 HD2 TYR 29 3.401 25.868 1.420 254 HE1 TYR 29 HE1 TYR 29 0.301 28.831 3.831 255 HE2 TYR 29 HE2 TYR 29 3.939 28.254 1.679 256 HH TYR 29 HH TYR 29 1.715 30.470 3.342 257 H TYR 30 H TYR 30 2.005 23.001 0.365 258 HA TYR 30 HA TYR 30 0.721 20.387 0.436 259 HB2 TYR 30 2HB TYR 30 1.976 21.236 -2.152 260 HB3 TYR 30 3HB TYR 30 0.817 19.947 -1.850 261 HD1 TYR 30 HD1 TYR 30 -1.524 20.349 -1.956 262 HD2 TYR 30 HD2 TYR 30 1.204 23.608 -2.165 263 HE1 TYR 30 HE1 TYR 30 -3.361 21.835 -2.640 264 HE2 TYR 30 HE2 TYR 30 -0.626 25.103 -2.848 265 HH TYR 30 HH TYR 30 -2.997 24.665 -4.079 266 HA PRO 31 HA PRO 31 5.428 19.879 -0.537 267 HB2 PRO 31 2HB PRO 31 6.897 22.147 -0.789 268 HB3 PRO 31 3HB PRO 31 6.089 21.369 -2.155 269 HG2 PRO 31 2HG PRO 31 5.215 23.725 -0.529 270 HG3 PRO 31 3HG PRO 31 5.151 23.493 -2.286 271 HD2 PRO 31 2HD PRO 31 2.985 23.166 -0.694 272 HD3 PRO 31 3HD PRO 31 3.234 22.219 -2.175 273 H TRP 32 H TRP 32 7.631 20.915 0.583 274 HA TRP 32 HA TRP 32 7.015 20.796 3.402 275 HB2 TRP 32 2HB TRP 32 9.286 20.389 3.749 276 HB3 TRP 32 3HB TRP 32 9.003 19.681 2.161 277 HD1 TRP 32 HD1 TRP 32 10.973 22.388 3.910 278 HE1 TRP 32 HE1 TRP 32 12.550 23.520 2.221 279 HE3 TRP 32 HE3 TRP 32 9.155 20.331 -0.403 280 HZ2 TRP 32 HZ2 TRP 32 12.968 23.540 -0.571 281 HZ3 TRP 32 HZ3 TRP 32 10.199 20.960 -2.541 282 HH2 TRP 32 HH2 TRP 32 12.066 22.531 -2.621 283 H GLU 33 H GLU 33 6.840 23.240 1.308 284 HA GLU 33 HA GLU 33 8.225 25.264 2.857 285 HB2 GLU 33 2HB GLU 33 6.359 25.719 0.532 286 HB3 GLU 33 3HB GLU 33 7.609 26.797 1.138 287 HG2 GLU 33 2HG GLU 33 9.336 25.331 0.357 288 HG3 GLU 33 3HG GLU 33 8.150 24.112 -0.104 289 H ILE 34 H ILE 34 6.409 24.044 4.463 290 HA ILE 34 HA ILE 34 4.021 25.729 4.526 291 HB ILE 34 HB ILE 34 4.750 23.361 6.254 292 HG12 ILE 34 2HG1 ILE 34 2.536 23.313 4.257 293 HG13 ILE 34 3HG1 ILE 34 4.186 23.175 3.659 294 HG21 ILE 34 1HG2 ILE 34 2.466 23.426 7.032 295 HG22 ILE 34 2HG2 ILE 34 3.234 24.985 7.332 296 HG23 ILE 34 3HG2 ILE 34 2.115 24.799 5.982 297 HD11 ILE 34 1HD1 ILE 34 3.334 21.423 5.901 298 HD12 ILE 34 2HD1 ILE 34 2.779 21.055 4.268 299 HD13 ILE 34 3HD1 ILE 34 4.506 21.130 4.616 300 HA PRO 35 HA PRO 35 5.809 28.398 7.565 301 HB2 PRO 35 2HB PRO 35 3.516 29.628 8.340 302 HB3 PRO 35 3HB PRO 35 4.325 29.982 6.809 303 HG2 PRO 35 2HG PRO 35 1.967 28.217 7.341 304 HG3 PRO 35 3HG PRO 35 2.222 29.377 6.024 305 HD2 PRO 35 2HD PRO 35 2.570 26.711 5.704 306 HD3 PRO 35 3HD PRO 35 3.531 27.913 4.818 307 H ARG 36 H ARG 36 4.860 29.202 9.883 308 HA ARG 36 HA ARG 36 3.706 27.001 11.380 309 HB2 ARG 36 2HB ARG 36 5.627 27.128 13.053 310 HB3 ARG 36 3HB ARG 36 5.947 26.288 11.542 311 HG2 ARG 36 2HG ARG 36 6.597 29.090 11.329 312 HG3 ARG 36 3HG ARG 36 7.446 28.330 12.677 313 HD2 ARG 36 2HD ARG 36 8.021 26.472 11.000 314 HD3 ARG 36 3HD ARG 36 7.531 27.627 9.761 315 HE ARG 36 HE ARG 36 9.373 28.856 11.490 316 HH11 ARG 36 1HH1 ARG 36 9.224 26.385 9.041 317 HH12 ARG 36 2HH1 ARG 36 10.869 26.597 8.542 318 HH21 ARG 36 1HH2 ARG 36 11.541 29.144 10.841 319 HH22 ARG 36 2HH2 ARG 36 12.187 28.166 9.567 320 H CYS 37 H CYS 37 3.272 27.601 13.647 321 HA CYS 37 HA CYS 37 2.509 30.411 13.792 322 HB2 CYS 37 2HB CYS 37 1.055 29.764 15.602 323 HB3 CYS 37 3HB CYS 37 0.853 28.609 14.291 324 HG CYS 37 HG CYS 37 0.788 26.855 16.248 Start of MODEL 2 1 H MET 1 H MET 1 3.298 1.021 1.723 2 HA MET 1 HA MET 1 4.712 -0.261 -0.023 3 HB2 MET 1 2HB MET 1 1.902 -1.042 -0.811 4 HB3 MET 1 3HB MET 1 3.390 -1.485 -1.638 5 HG2 MET 1 2HG MET 1 3.885 -2.442 0.842 6 HG3 MET 1 3HG MET 1 2.136 -2.637 0.749 7 HE1 MET 1 1HE MET 1 2.064 -3.128 -2.669 8 HE2 MET 1 2HE MET 1 1.723 -4.844 -2.440 9 HE3 MET 1 3HE MET 1 0.981 -3.648 -1.377 10 H LYS 2 H LYS 2 5.271 1.103 -1.610 11 HA LYS 2 HA LYS 2 3.304 2.806 -2.884 12 HB2 LYS 2 2HB LYS 2 5.468 3.878 -1.087 13 HB3 LYS 2 3HB LYS 2 4.792 4.847 -2.390 14 HG2 LYS 2 2HG LYS 2 2.557 4.587 -1.397 15 HG3 LYS 2 3HG LYS 2 3.275 3.675 -0.067 16 HD2 LYS 2 2HD LYS 2 4.656 5.633 0.501 17 HD3 LYS 2 3HD LYS 2 3.883 6.540 -0.802 18 HE2 LYS 2 2HE LYS 2 2.699 7.195 1.092 19 HE3 LYS 2 3HE LYS 2 1.677 5.947 0.382 20 HZ1 LYS 2 1HZ LYS 2 2.733 6.026 2.954 21 HZ2 LYS 2 2HZ LYS 2 3.508 4.753 2.154 22 HZ3 LYS 2 3HZ LYS 2 1.819 4.790 2.247 23 H PHE 3 H PHE 3 4.383 1.002 -4.320 24 HA PHE 3 HA PHE 3 6.973 1.305 -5.310 25 HB2 PHE 3 2HB PHE 3 4.457 0.101 -6.398 26 HB3 PHE 3 3HB PHE 3 5.859 0.259 -7.450 27 HD1 PHE 3 HD1 PHE 3 5.400 -0.711 -3.874 28 HD2 PHE 3 HD2 PHE 3 6.929 -1.748 -7.709 29 HE1 PHE 3 HE1 PHE 3 6.330 -2.787 -2.938 30 HE2 PHE 3 HE2 PHE 3 7.860 -3.826 -6.779 31 HZ PHE 3 HZ PHE 3 7.561 -4.349 -4.391 32 H LYS 4 H LYS 4 7.528 1.986 -7.574 33 HA LYS 4 HA LYS 4 6.192 4.538 -8.191 34 HB2 LYS 4 2HB LYS 4 9.033 3.784 -8.880 35 HB3 LYS 4 3HB LYS 4 8.290 5.373 -9.004 36 HG2 LYS 4 2HG LYS 4 9.229 5.774 -7.026 37 HG3 LYS 4 3HG LYS 4 7.940 4.770 -6.357 38 HD2 LYS 4 2HD LYS 4 9.909 3.869 -5.462 39 HD3 LYS 4 3HD LYS 4 9.503 2.792 -6.800 40 HE2 LYS 4 2HE LYS 4 11.586 3.118 -7.526 41 HE3 LYS 4 3HE LYS 4 11.069 4.741 -7.978 42 HZ1 LYS 4 1HZ LYS 4 11.998 4.196 -5.236 43 HZ2 LYS 4 2HZ LYS 4 11.999 5.655 -6.092 44 HZ3 LYS 4 3HZ LYS 4 13.123 4.450 -6.475 45 H PHE 5 H PHE 5 7.348 1.509 -9.458 46 HA PHE 5 HA PHE 5 6.811 2.264 -12.209 47 HB2 PHE 5 2HB PHE 5 7.725 -0.334 -10.961 48 HB3 PHE 5 3HB PHE 5 7.475 -0.109 -12.690 49 HD1 PHE 5 HD1 PHE 5 9.757 0.209 -9.979 50 HD2 PHE 5 HD2 PHE 5 8.832 1.714 -13.851 51 HE1 PHE 5 HE1 PHE 5 12.057 1.057 -10.194 52 HE2 PHE 5 HE2 PHE 5 11.130 2.564 -14.073 53 HZ PHE 5 HZ PHE 5 12.746 2.235 -12.244 54 H ASN 6 H ASN 6 5.350 0.387 -9.636 55 HA ASN 6 HA ASN 6 3.474 -1.093 -11.016 56 HB2 ASN 6 2HB ASN 6 3.727 -0.029 -8.284 57 HB3 ASN 6 3HB ASN 6 2.070 -0.353 -8.786 58 HD21 ASN 6 1HD2 ASN 6 5.156 -1.971 -9.444 59 HD22 ASN 6 2HD2 ASN 6 4.656 -3.525 -8.879 60 HA PRO 7 HA PRO 7 0.494 1.637 -12.724 61 HB2 PRO 7 2HB PRO 7 -1.840 0.340 -12.237 62 HB3 PRO 7 3HB PRO 7 -0.663 -0.218 -13.432 63 HG2 PRO 7 2HG PRO 7 -1.112 -1.168 -10.629 64 HG3 PRO 7 3HG PRO 7 -0.816 -2.116 -12.098 65 HD2 PRO 7 2HD PRO 7 1.127 -1.595 -10.285 66 HD3 PRO 7 3HD PRO 7 1.460 -1.761 -12.021 67 H THR 8 H THR 8 -0.129 0.567 -9.420 68 HA THR 8 HA THR 8 -2.145 2.374 -8.737 69 HB THR 8 HB THR 8 -1.306 0.403 -7.362 70 HG1 THR 8 HG1 THR 8 -2.188 1.324 -5.588 71 HG21 THR 8 1HG2 THR 8 0.444 0.824 -5.744 72 HG22 THR 8 2HG2 THR 8 0.657 2.465 -6.354 73 HG23 THR 8 3HG2 THR 8 1.078 1.085 -7.368 74 H GLY 9 H GLY 9 1.187 2.903 -9.342 75 HA2 GLY 9 2HA GLY 9 1.837 5.054 -7.736 76 HA3 GLY 9 3HA GLY 9 2.431 4.835 -9.375 77 H THR 10 H THR 10 0.003 5.078 -10.765 78 HA THR 10 HA THR 10 -0.232 7.932 -10.829 79 HB THR 10 HB THR 10 -1.844 5.862 -12.333 80 HG1 THR 10 HG1 THR 10 0.087 5.581 -13.206 81 HG21 THR 10 1HG2 THR 10 -2.255 8.611 -12.091 82 HG22 THR 10 2HG2 THR 10 -2.941 7.541 -13.314 83 HG23 THR 10 3HG2 THR 10 -1.440 8.408 -13.641 84 H ILE 11 H ILE 11 -2.511 5.284 -10.128 85 HA ILE 11 HA ILE 11 -4.746 6.810 -9.527 86 HB ILE 11 HB ILE 11 -3.900 4.201 -8.263 87 HG12 ILE 11 2HG1 ILE 11 -5.947 3.695 -10.038 88 HG13 ILE 11 3HG1 ILE 11 -5.018 4.937 -10.870 89 HG21 ILE 11 1HG2 ILE 11 -6.600 5.540 -8.344 90 HG22 ILE 11 2HG2 ILE 11 -6.286 3.911 -7.751 91 HG23 ILE 11 3HG2 ILE 11 -5.592 5.301 -6.918 92 HD11 ILE 11 1HD1 ILE 11 -3.990 3.053 -11.634 93 HD12 ILE 11 2HD1 ILE 11 -2.996 3.399 -10.218 94 HD13 ILE 11 3HD1 ILE 11 -4.253 2.165 -10.133 95 H VAL 12 H VAL 12 -2.331 5.536 -7.230 96 HA VAL 12 HA VAL 12 -3.327 6.688 -4.917 97 HB VAL 12 HB VAL 12 -0.443 6.173 -5.653 98 HG11 VAL 12 1HG1 VAL 12 -1.692 6.734 -2.966 99 HG12 VAL 12 2HG1 VAL 12 -0.037 6.174 -3.217 100 HG13 VAL 12 3HG1 VAL 12 -0.538 7.752 -3.826 101 HG21 VAL 12 1HG2 VAL 12 -1.462 4.357 -3.731 102 HG22 VAL 12 2HG2 VAL 12 -2.618 4.435 -5.061 103 HG23 VAL 12 3HG2 VAL 12 -0.933 4.024 -5.380 104 H LYS 13 H LYS 13 -1.460 8.122 -7.496 105 HA LYS 13 HA LYS 13 -0.815 10.520 -6.059 106 HB2 LYS 13 2HB LYS 13 0.581 10.848 -7.772 107 HB3 LYS 13 3HB LYS 13 0.020 9.323 -8.444 108 HG2 LYS 13 2HG LYS 13 -1.717 10.508 -9.689 109 HG3 LYS 13 3HG LYS 13 -1.149 12.039 -9.017 110 HD2 LYS 13 2HD LYS 13 0.710 10.226 -10.517 111 HD3 LYS 13 3HD LYS 13 -0.352 11.346 -11.373 112 HE2 LYS 13 2HE LYS 13 0.696 13.003 -9.527 113 HE3 LYS 13 3HE LYS 13 2.035 11.873 -9.718 114 HZ1 LYS 13 1HZ LYS 13 2.589 12.991 -11.531 115 HZ2 LYS 13 2HZ LYS 13 1.195 13.945 -11.453 116 HZ3 LYS 13 3HZ LYS 13 1.160 12.464 -12.269 117 H LYS 14 H LYS 14 -3.365 9.473 -8.225 118 HA LYS 14 HA LYS 14 -4.487 12.095 -8.560 119 HB2 LYS 14 2HB LYS 14 -5.586 9.345 -9.162 120 HB3 LYS 14 3HB LYS 14 -6.402 10.846 -9.578 121 HG2 LYS 14 2HG LYS 14 -3.745 9.887 -10.617 122 HG3 LYS 14 3HG LYS 14 -5.263 9.994 -11.511 123 HD2 LYS 14 2HD LYS 14 -5.247 12.445 -11.157 124 HD3 LYS 14 3HD LYS 14 -3.673 12.293 -10.373 125 HE2 LYS 14 2HE LYS 14 -2.911 12.720 -12.455 126 HE3 LYS 14 3HE LYS 14 -3.171 10.989 -12.668 127 HZ1 LYS 14 1HZ LYS 14 -4.371 11.673 -14.420 128 HZ2 LYS 14 2HZ LYS 14 -4.615 13.229 -13.805 129 HZ3 LYS 14 3HZ LYS 14 -5.584 11.949 -13.273 130 H LEU 15 H LEU 15 -5.403 9.192 -6.720 131 HA LEU 15 HA LEU 15 -7.714 10.191 -5.533 132 HB2 LEU 15 2HB LEU 15 -5.732 8.091 -4.791 133 HB3 LEU 15 3HB LEU 15 -6.966 8.556 -3.622 134 HG LEU 15 HG LEU 15 -7.416 6.516 -5.097 135 HD11 LEU 15 1HD1 LEU 15 -9.215 8.769 -4.454 136 HD12 LEU 15 2HD1 LEU 15 -9.287 7.079 -3.958 137 HD13 LEU 15 3HD1 LEU 15 -9.834 7.550 -5.567 138 HD21 LEU 15 1HD2 LEU 15 -8.359 6.974 -7.290 139 HD22 LEU 15 2HD2 LEU 15 -6.685 7.526 -7.209 140 HD23 LEU 15 3HD2 LEU 15 -8.005 8.691 -7.102 141 H THR 16 H THR 16 -4.350 10.676 -4.719 142 HA THR 16 HA THR 16 -4.837 11.831 -2.147 143 HB THR 16 HB THR 16 -2.395 11.999 -3.924 144 HG1 THR 16 HG1 THR 16 -1.917 10.109 -3.103 145 HG21 THR 16 1HG2 THR 16 -1.734 13.600 -2.501 146 HG22 THR 16 2HG2 THR 16 -1.588 12.313 -1.304 147 HG23 THR 16 3HG2 THR 16 -3.064 13.275 -1.390 148 H GLN 17 H GLN 17 -4.678 13.024 -5.416 149 HA GLN 17 HA GLN 17 -4.186 15.722 -4.995 150 HB2 GLN 17 2HB GLN 17 -4.691 14.230 -7.178 151 HB3 GLN 17 3HB GLN 17 -6.242 15.044 -7.019 152 HG2 GLN 17 2HG GLN 17 -5.423 16.906 -7.881 153 HG3 GLN 17 3HG GLN 17 -4.104 16.929 -6.712 154 HE21 GLN 17 1HE2 GLN 17 -2.640 17.682 -8.237 155 HE22 GLN 17 2HE2 GLN 17 -2.016 16.673 -9.492 156 H TYR 18 H TYR 18 -7.012 13.848 -4.302 157 HA TYR 18 HA TYR 18 -8.633 16.241 -3.864 158 HB2 TYR 18 2HB TYR 18 -9.357 13.308 -3.692 159 HB3 TYR 18 3HB TYR 18 -10.483 14.644 -3.476 160 HD1 TYR 18 HD1 TYR 18 -11.595 15.552 -5.318 161 HD2 TYR 18 HD2 TYR 18 -8.148 13.141 -5.954 162 HE1 TYR 18 HE1 TYR 18 -12.025 15.588 -7.739 163 HE2 TYR 18 HE2 TYR 18 -8.567 13.170 -8.377 164 HH TYR 18 HH TYR 18 -9.750 14.184 -10.029 165 H GLU 19 H GLU 19 -6.918 13.762 -2.135 166 HA GLU 19 HA GLU 19 -8.162 14.203 0.397 167 HB2 GLU 19 2HB GLU 19 -5.505 12.930 -0.282 168 HB3 GLU 19 3HB GLU 19 -6.278 12.876 1.296 169 HG2 GLU 19 2HG GLU 19 -7.586 11.808 -1.186 170 HG3 GLU 19 3HG GLU 19 -6.533 10.833 -0.162 171 H ILE 20 H ILE 20 -5.297 15.452 -1.223 172 HA ILE 20 HA ILE 20 -4.025 16.721 0.880 173 HB ILE 20 HB ILE 20 -4.267 17.725 -1.958 174 HG12 ILE 20 2HG1 ILE 20 -1.816 16.364 -1.020 175 HG13 ILE 20 3HG1 ILE 20 -3.237 15.337 -1.186 176 HG21 ILE 20 1HG2 ILE 20 -3.005 18.841 0.359 177 HG22 ILE 20 2HG2 ILE 20 -1.785 18.405 -0.837 178 HG23 ILE 20 3HG2 ILE 20 -3.104 19.489 -1.278 179 HD11 ILE 20 1HD1 ILE 20 -1.508 16.442 -3.212 180 HD12 ILE 20 2HD1 ILE 20 -2.704 15.151 -3.326 181 HD13 ILE 20 3HD1 ILE 20 -3.201 16.833 -3.515 182 H ALA 21 H ALA 21 -6.883 17.679 -0.898 183 HA ALA 21 HA ALA 21 -7.089 20.356 -0.274 184 HB1 ALA 21 1HB ALA 21 -9.532 18.653 -0.116 185 HB2 ALA 21 2HB ALA 21 -9.300 20.221 -0.889 186 HB3 ALA 21 3HB ALA 21 -8.651 18.763 -1.640 187 H TRP 22 H TRP 22 -8.087 17.574 1.692 188 HA TRP 22 HA TRP 22 -9.310 18.886 3.790 189 HB2 TRP 22 2HB TRP 22 -9.345 16.480 3.662 190 HB3 TRP 22 3HB TRP 22 -7.593 16.398 3.823 191 HD1 TRP 22 HD1 TRP 22 -6.572 16.961 6.286 192 HE1 TRP 22 HE1 TRP 22 -7.618 16.707 8.624 193 HE3 TRP 22 HE3 TRP 22 -11.492 16.615 4.940 194 HZ2 TRP 22 HZ2 TRP 22 -10.189 16.400 9.748 195 HZ3 TRP 22 HZ3 TRP 22 -13.182 16.342 6.707 196 HH2 TRP 22 HH2 TRP 22 -12.542 16.236 9.061 197 H PHE 23 H PHE 23 -5.857 18.235 3.318 198 HA PHE 23 HA PHE 23 -5.093 19.484 5.782 199 HB2 PHE 23 2HB PHE 23 -3.581 17.845 5.075 200 HB3 PHE 23 3HB PHE 23 -3.601 18.410 3.408 201 HD1 PHE 23 HD1 PHE 23 -2.050 20.000 2.643 202 HD2 PHE 23 HD2 PHE 23 -2.397 19.204 6.810 203 HE1 PHE 23 HE1 PHE 23 -0.005 21.303 3.059 204 HE2 PHE 23 HE2 PHE 23 -0.353 20.507 7.232 205 HZ PHE 23 HZ PHE 23 0.846 21.559 5.356 206 H LYS 24 H LYS 24 -5.510 20.498 2.478 207 HA LYS 24 HA LYS 24 -4.009 22.870 2.525 208 HB2 LYS 24 2HB LYS 24 -4.870 21.879 0.455 209 HB3 LYS 24 3HB LYS 24 -6.517 22.228 0.961 210 HG2 LYS 24 2HG LYS 24 -6.181 24.007 -0.398 211 HG3 LYS 24 3HG LYS 24 -5.550 24.693 1.101 212 HD2 LYS 24 2HD LYS 24 -3.277 23.817 0.356 213 HD3 LYS 24 3HD LYS 24 -4.018 23.559 -1.225 214 HE2 LYS 24 2HE LYS 24 -4.059 26.206 0.208 215 HE3 LYS 24 3HE LYS 24 -2.792 25.743 -0.927 216 HZ1 LYS 24 1HZ LYS 24 -4.626 27.083 -1.904 217 HZ2 LYS 24 2HZ LYS 24 -5.676 25.788 -1.618 218 HZ3 LYS 24 3HZ LYS 24 -4.370 25.599 -2.677 219 H ASN 25 H ASN 25 -7.169 22.091 3.769 220 HA ASN 25 HA ASN 25 -7.961 24.829 4.166 221 HB2 ASN 25 2HB ASN 25 -9.115 22.193 5.076 222 HB3 ASN 25 3HB ASN 25 -9.812 23.743 5.536 223 HD21 ASN 25 1HD2 ASN 25 -9.814 21.297 3.276 224 HD22 ASN 25 2HD2 ASN 25 -10.678 22.101 2.014 225 H LYS 26 H LYS 26 -5.887 22.716 5.752 226 HA LYS 26 HA LYS 26 -6.311 23.889 8.391 227 HB2 LYS 26 2HB LYS 26 -4.206 21.866 7.639 228 HB3 LYS 26 3HB LYS 26 -4.860 22.209 9.236 229 HG2 LYS 26 2HG LYS 26 -6.430 20.999 6.970 230 HG3 LYS 26 3HG LYS 26 -5.667 20.084 8.272 231 HD2 LYS 26 2HD LYS 26 -7.478 22.312 9.031 232 HD3 LYS 26 3HD LYS 26 -8.214 20.849 8.373 233 HE2 LYS 26 2HE LYS 26 -8.147 20.134 10.502 234 HE3 LYS 26 3HE LYS 26 -6.454 19.794 10.146 235 HZ1 LYS 26 1HZ LYS 26 -6.784 21.060 12.217 236 HZ2 LYS 26 2HZ LYS 26 -7.442 22.335 11.321 237 HZ3 LYS 26 3HZ LYS 26 -5.826 21.887 11.094 238 H HIS 27 H HIS 27 -4.068 23.965 5.716 239 HA HIS 27 HA HIS 27 -2.681 26.200 7.002 240 HB2 HIS 27 2HB HIS 27 -1.232 23.922 5.638 241 HB3 HIS 27 3HB HIS 27 -0.492 25.347 6.361 242 HD1 HIS 27 HD1 HIS 27 -2.316 22.187 7.318 243 HD2 HIS 27 HD2 HIS 27 -0.031 25.183 9.070 244 HE1 HIS 27 HE1 HIS 27 -1.856 21.398 9.661 245 H GLY 28 H GLY 28 -3.073 24.293 4.027 246 HA2 GLY 28 2HA GLY 28 -3.811 25.260 1.980 247 HA3 GLY 28 3HA GLY 28 -3.203 26.814 2.530 248 H TYR 29 H TYR 29 -1.295 23.917 2.837 249 HA TYR 29 HA TYR 29 0.385 24.816 0.590 250 HB2 TYR 29 2HB TYR 29 1.196 23.987 3.366 251 HB3 TYR 29 3HB TYR 29 2.318 23.866 2.016 252 HD1 TYR 29 HD1 TYR 29 0.042 26.336 3.650 253 HD2 TYR 29 HD2 TYR 29 3.672 25.680 1.530 254 HE1 TYR 29 HE1 TYR 29 0.632 28.707 3.938 255 HE2 TYR 29 HE2 TYR 29 4.273 28.048 1.813 256 HH TYR 29 HH TYR 29 2.052 30.335 3.352 257 H TYR 30 H TYR 30 2.205 22.860 0.439 258 HA TYR 30 HA TYR 30 0.850 20.282 0.478 259 HB2 TYR 30 2HB TYR 30 2.148 21.117 -2.093 260 HB3 TYR 30 3HB TYR 30 0.952 19.857 -1.811 261 HD1 TYR 30 HD1 TYR 30 -1.375 20.325 -1.932 262 HD2 TYR 30 HD2 TYR 30 1.441 23.509 -2.093 263 HE1 TYR 30 HE1 TYR 30 -3.166 21.865 -2.617 264 HE2 TYR 30 HE2 TYR 30 -0.342 25.059 -2.777 265 HH TYR 30 HH TYR 30 -3.074 24.272 -4.047 266 HA PRO 31 HA PRO 31 5.549 19.653 -0.463 267 HB2 PRO 31 2HB PRO 31 7.082 21.883 -0.685 268 HB3 PRO 31 3HB PRO 31 6.264 21.138 -2.064 269 HG2 PRO 31 2HG PRO 31 5.441 23.504 -0.424 270 HG3 PRO 31 3HG PRO 31 5.385 23.288 -2.183 271 HD2 PRO 31 2HD PRO 31 3.198 23.007 -0.612 272 HD3 PRO 31 3HD PRO 31 3.433 22.065 -2.098 273 H TRP 32 H TRP 32 7.771 20.619 0.683 274 HA TRP 32 HA TRP 32 7.129 20.494 3.496 275 HB2 TRP 32 2HB TRP 32 9.386 20.022 3.857 276 HB3 TRP 32 3HB TRP 32 9.096 19.335 2.261 277 HD1 TRP 32 HD1 TRP 32 11.125 21.972 4.047 278 HE1 TRP 32 HE1 TRP 32 12.746 23.075 2.380 279 HE3 TRP 32 HE3 TRP 32 9.285 20.002 -0.296 280 HZ2 TRP 32 HZ2 TRP 32 13.187 23.106 -0.408 281 HZ3 TRP 32 HZ3 TRP 32 10.363 20.619 -2.421 282 HH2 TRP 32 HH2 TRP 32 12.273 22.139 -2.473 283 H GLU 33 H GLU 33 7.037 22.959 1.421 284 HA GLU 33 HA GLU 33 8.465 24.932 2.998 285 HB2 GLU 33 2HB GLU 33 6.631 25.456 0.662 286 HB3 GLU 33 3HB GLU 33 7.904 26.495 1.287 287 HG2 GLU 33 2HG GLU 33 9.598 24.988 0.506 288 HG3 GLU 33 3HG GLU 33 8.382 23.806 0.026 289 H ILE 34 H ILE 34 6.602 23.747 4.578 290 HA ILE 34 HA ILE 34 4.261 25.497 4.637 291 HB ILE 34 HB ILE 34 4.912 23.097 6.352 292 HG12 ILE 34 2HG1 ILE 34 2.714 23.125 4.336 293 HG13 ILE 34 3HG1 ILE 34 4.365 22.946 3.750 294 HG21 ILE 34 1HG2 ILE 34 3.430 24.754 7.429 295 HG22 ILE 34 2HG2 ILE 34 2.319 24.608 6.068 296 HG23 ILE 34 3HG2 ILE 34 2.624 23.219 7.112 297 HD11 ILE 34 1HD1 ILE 34 3.372 21.199 5.953 298 HD12 ILE 34 2HD1 ILE 34 2.950 20.847 4.277 299 HD13 ILE 34 3HD1 ILE 34 4.643 20.901 4.767 300 HA PRO 35 HA PRO 35 6.097 28.092 7.712 301 HB2 PRO 35 2HB PRO 35 3.833 29.378 8.479 302 HB3 PRO 35 3HB PRO 35 4.664 29.722 6.958 303 HG2 PRO 35 2HG PRO 35 2.254 28.018 7.456 304 HG3 PRO 35 3HG PRO 35 2.551 29.182 6.152 305 HD2 PRO 35 2HD PRO 35 2.829 26.510 5.812 306 HD3 PRO 35 3HD PRO 35 3.829 27.692 4.943 307 H ARG 36 H ARG 36 5.134 28.907 10.027 308 HA ARG 36 HA ARG 36 4.712 26.420 11.529 309 HB2 ARG 36 2HB ARG 36 5.481 27.790 13.492 310 HB3 ARG 36 3HB ARG 36 6.686 27.561 12.232 311 HG2 ARG 36 2HG ARG 36 5.020 29.992 12.041 312 HG3 ARG 36 3HG ARG 36 6.186 29.923 13.365 313 HD2 ARG 36 2HD ARG 36 7.899 30.271 11.984 314 HD3 ARG 36 3HD ARG 36 7.345 29.017 10.875 315 HE ARG 36 HE ARG 36 5.774 31.361 10.610 316 HH11 ARG 36 1HH1 ARG 36 8.892 30.029 9.819 317 HH12 ARG 36 2HH1 ARG 36 9.105 31.022 8.415 318 HH21 ARG 36 1HH2 ARG 36 6.043 32.674 8.764 319 HH22 ARG 36 2HH2 ARG 36 7.485 32.527 7.817 320 H CYS 37 H CYS 37 3.298 26.480 13.409 321 HA CYS 37 HA CYS 37 0.802 27.751 12.785 322 HB2 CYS 37 2HB CYS 37 1.752 25.849 14.896 323 HB3 CYS 37 3HB CYS 37 0.212 26.675 15.106 324 HG CYS 37 HG CYS 37 0.321 23.901 13.909 Start of MODEL 3 1 H MET 1 H MET 1 3.164 -1.834 -1.445 2 HA MET 1 HA MET 1 4.056 -0.486 0.154 3 HB2 MET 1 2HB MET 1 6.688 -1.585 -0.848 4 HB3 MET 1 3HB MET 1 6.426 -0.776 0.691 5 HG2 MET 1 2HG MET 1 4.667 -3.062 0.250 6 HG3 MET 1 3HG MET 1 6.380 -3.471 0.281 7 HE1 MET 1 1HE MET 1 7.960 -2.988 2.037 8 HE2 MET 1 2HE MET 1 7.608 -1.361 2.620 9 HE3 MET 1 3HE MET 1 7.587 -2.724 3.740 10 H LYS 2 H LYS 2 3.274 1.120 -1.607 11 HA LYS 2 HA LYS 2 3.544 3.098 -2.702 12 HB2 LYS 2 2HB LYS 2 6.093 3.399 -1.120 13 HB3 LYS 2 3HB LYS 2 5.042 4.672 -1.726 14 HG2 LYS 2 2HG LYS 2 4.074 4.709 0.264 15 HG3 LYS 2 3HG LYS 2 3.413 3.111 -0.092 16 HD2 LYS 2 2HD LYS 2 4.530 2.929 1.992 17 HD3 LYS 2 3HD LYS 2 5.572 2.152 0.798 18 HE2 LYS 2 2HE LYS 2 7.152 3.422 1.807 19 HE3 LYS 2 3HE LYS 2 6.556 4.636 0.675 20 HZ1 LYS 2 1HZ LYS 2 5.023 5.378 2.470 21 HZ2 LYS 2 2HZ LYS 2 6.660 5.625 2.813 22 HZ3 LYS 2 3HZ LYS 2 5.830 4.340 3.535 23 H PHE 3 H PHE 3 4.112 1.402 -4.480 24 HA PHE 3 HA PHE 3 6.844 1.427 -5.384 25 HB2 PHE 3 2HB PHE 3 4.278 0.262 -6.394 26 HB3 PHE 3 3HB PHE 3 5.653 0.389 -7.486 27 HD1 PHE 3 HD1 PHE 3 5.280 -0.548 -3.892 28 HD2 PHE 3 HD2 PHE 3 6.675 -1.641 -7.761 29 HE1 PHE 3 HE1 PHE 3 6.198 -2.635 -2.967 30 HE2 PHE 3 HE2 PHE 3 7.595 -3.730 -6.844 31 HZ PHE 3 HZ PHE 3 7.357 -4.230 -4.444 32 H LYS 4 H LYS 4 7.333 2.068 -7.684 33 HA LYS 4 HA LYS 4 6.019 4.635 -8.290 34 HB2 LYS 4 2HB LYS 4 8.836 3.888 -9.062 35 HB3 LYS 4 3HB LYS 4 8.096 5.483 -9.084 36 HG2 LYS 4 2HG LYS 4 9.114 5.789 -7.128 37 HG3 LYS 4 3HG LYS 4 7.845 4.762 -6.457 38 HD2 LYS 4 2HD LYS 4 9.714 3.684 -5.675 39 HD3 LYS 4 3HD LYS 4 9.466 2.829 -7.199 40 HE2 LYS 4 2HE LYS 4 11.753 3.332 -7.168 41 HE3 LYS 4 3HE LYS 4 11.045 4.555 -8.222 42 HZ1 LYS 4 1HZ LYS 4 12.386 4.867 -5.699 43 HZ2 LYS 4 2HZ LYS 4 10.922 5.710 -5.780 44 HZ3 LYS 4 3HZ LYS 4 12.127 5.996 -6.932 45 H PHE 5 H PHE 5 7.113 1.579 -9.532 46 HA PHE 5 HA PHE 5 6.548 2.316 -12.287 47 HB2 PHE 5 2HB PHE 5 7.374 -0.352 -11.122 48 HB3 PHE 5 3HB PHE 5 7.305 0.052 -12.834 49 HD1 PHE 5 HD1 PHE 5 9.312 0.013 -9.899 50 HD2 PHE 5 HD2 PHE 5 8.815 1.940 -13.662 51 HE1 PHE 5 HE1 PHE 5 11.642 0.799 -9.801 52 HE2 PHE 5 HE2 PHE 5 11.144 2.727 -13.570 53 HZ PHE 5 HZ PHE 5 12.561 2.156 -11.639 54 H ASN 6 H ASN 6 5.126 0.479 -9.669 55 HA ASN 6 HA ASN 6 3.231 -1.023 -11.005 56 HB2 ASN 6 2HB ASN 6 3.525 0.071 -8.288 57 HB3 ASN 6 3HB ASN 6 1.863 -0.267 -8.762 58 HD21 ASN 6 1HD2 ASN 6 4.911 -1.897 -9.531 59 HD22 ASN 6 2HD2 ASN 6 4.442 -3.440 -8.910 60 HA PRO 7 HA PRO 7 0.222 1.688 -12.691 61 HB2 PRO 7 2HB PRO 7 -2.103 0.394 -12.151 62 HB3 PRO 7 3HB PRO 7 -0.945 -0.174 -13.360 63 HG2 PRO 7 2HG PRO 7 -1.347 -1.097 -10.541 64 HG3 PRO 7 3HG PRO 7 -1.075 -2.060 -12.005 65 HD2 PRO 7 2HD PRO 7 0.897 -1.520 -10.231 66 HD3 PRO 7 3HD PRO 7 1.201 -1.702 -11.970 67 H THR 8 H THR 8 -0.347 0.650 -9.366 68 HA THR 8 HA THR 8 -2.352 2.463 -8.668 69 HB THR 8 HB THR 8 -1.490 0.505 -7.288 70 HG1 THR 8 HG1 THR 8 -2.648 1.422 -5.777 71 HG21 THR 8 1HG2 THR 8 0.489 2.577 -6.332 72 HG22 THR 8 2HG2 THR 8 0.893 1.187 -7.339 73 HG23 THR 8 3HG2 THR 8 0.285 0.944 -5.702 74 H GLY 9 H GLY 9 0.970 2.987 -9.332 75 HA2 GLY 9 2HA GLY 9 1.645 5.153 -7.758 76 HA3 GLY 9 3HA GLY 9 2.212 4.918 -9.405 77 H THR 10 H THR 10 -0.238 5.147 -10.756 78 HA THR 10 HA THR 10 -0.475 8.001 -10.844 79 HB THR 10 HB THR 10 -2.112 5.917 -12.301 80 HG1 THR 10 HG1 THR 10 0.370 7.157 -12.840 81 HG21 THR 10 1HG2 THR 10 -2.519 8.667 -12.080 82 HG22 THR 10 2HG2 THR 10 -3.219 7.588 -13.286 83 HG23 THR 10 3HG2 THR 10 -1.723 8.452 -13.638 84 H ILE 11 H ILE 11 -2.741 5.360 -10.081 85 HA ILE 11 HA ILE 11 -4.967 6.891 -9.459 86 HB ILE 11 HB ILE 11 -4.099 4.294 -8.183 87 HG12 ILE 11 2HG1 ILE 11 -6.175 3.771 -9.920 88 HG13 ILE 11 3HG1 ILE 11 -5.260 5.005 -10.778 89 HG21 ILE 11 1HG2 ILE 11 -6.477 4.008 -7.629 90 HG22 ILE 11 2HG2 ILE 11 -5.768 5.405 -6.821 91 HG23 ILE 11 3HG2 ILE 11 -6.800 5.633 -8.232 92 HD11 ILE 11 1HD1 ILE 11 -3.227 3.473 -10.145 93 HD12 ILE 11 2HD1 ILE 11 -4.484 2.240 -10.033 94 HD13 ILE 11 3HD1 ILE 11 -4.242 3.119 -11.543 95 H VAL 12 H VAL 12 -2.514 5.639 -7.190 96 HA VAL 12 HA VAL 12 -3.472 6.813 -4.871 97 HB VAL 12 HB VAL 12 -0.601 6.293 -5.650 98 HG11 VAL 12 1HG1 VAL 12 -0.667 7.888 -3.836 99 HG12 VAL 12 2HG1 VAL 12 -1.805 6.874 -2.946 100 HG13 VAL 12 3HG1 VAL 12 -0.154 6.317 -3.222 101 HG21 VAL 12 1HG2 VAL 12 -0.866 4.154 -4.975 102 HG22 VAL 12 2HG2 VAL 12 -2.009 4.583 -3.702 103 HG23 VAL 12 3HG2 VAL 12 -2.556 4.461 -5.374 104 H LYS 13 H LYS 13 -1.647 8.223 -7.493 105 HA LYS 13 HA LYS 13 -0.981 10.635 -6.090 106 HB2 LYS 13 2HB LYS 13 0.387 10.948 -7.828 107 HB3 LYS 13 3HB LYS 13 -0.183 9.415 -8.476 108 HG2 LYS 13 2HG LYS 13 -1.941 10.587 -9.704 109 HG3 LYS 13 3HG LYS 13 -1.363 12.125 -9.057 110 HD2 LYS 13 2HD LYS 13 0.468 10.295 -10.573 111 HD3 LYS 13 3HD LYS 13 -0.603 11.416 -11.417 112 HE2 LYS 13 2HE LYS 13 0.473 13.286 -10.559 113 HE3 LYS 13 3HE LYS 13 1.170 12.388 -9.211 114 HZ1 LYS 13 1HZ LYS 13 1.983 12.242 -12.061 115 HZ2 LYS 13 2HZ LYS 13 2.569 11.208 -10.858 116 HZ3 LYS 13 3HZ LYS 13 2.886 12.867 -10.773 117 H LYS 14 H LYS 14 -3.565 9.566 -8.205 118 HA LYS 14 HA LYS 14 -4.693 12.184 -8.548 119 HB2 LYS 14 2HB LYS 14 -5.800 9.427 -9.102 120 HB3 LYS 14 3HB LYS 14 -6.625 10.923 -9.520 121 HG2 LYS 14 2HG LYS 14 -3.984 9.956 -10.594 122 HG3 LYS 14 3HG LYS 14 -5.518 10.051 -11.463 123 HD2 LYS 14 2HD LYS 14 -5.500 12.506 -11.135 124 HD3 LYS 14 3HD LYS 14 -3.912 12.365 -10.378 125 HE2 LYS 14 2HE LYS 14 -3.153 11.237 -12.519 126 HE3 LYS 14 3HE LYS 14 -4.676 11.772 -13.227 127 HZ1 LYS 14 1HZ LYS 14 -3.422 13.549 -13.766 128 HZ2 LYS 14 2HZ LYS 14 -2.322 13.319 -12.502 129 HZ3 LYS 14 3HZ LYS 14 -3.816 14.053 -12.200 130 H LEU 15 H LEU 15 -5.578 9.300 -6.662 131 HA LEU 15 HA LEU 15 -7.870 10.308 -5.449 132 HB2 LEU 15 2HB LEU 15 -5.869 8.225 -4.712 133 HB3 LEU 15 3HB LEU 15 -7.084 8.701 -3.528 134 HG LEU 15 HG LEU 15 -7.548 6.640 -4.976 135 HD11 LEU 15 1HD1 LEU 15 -9.178 8.447 -3.733 136 HD12 LEU 15 2HD1 LEU 15 -9.695 6.907 -4.418 137 HD13 LEU 15 3HD1 LEU 15 -9.855 8.389 -5.361 138 HD21 LEU 15 1HD2 LEU 15 -8.202 8.795 -6.984 139 HD22 LEU 15 2HD2 LEU 15 -8.539 7.072 -7.152 140 HD23 LEU 15 3HD2 LEU 15 -6.871 7.646 -7.111 141 H THR 16 H THR 16 -4.494 10.814 -4.695 142 HA THR 16 HA THR 16 -4.939 11.997 -2.131 143 HB THR 16 HB THR 16 -2.533 12.170 -3.956 144 HG1 THR 16 HG1 THR 16 -2.071 10.266 -3.170 145 HG21 THR 16 1HG2 THR 16 -3.161 13.445 -1.409 146 HG22 THR 16 2HG2 THR 16 -1.865 13.787 -2.555 147 HG23 THR 16 3HG2 THR 16 -1.671 12.504 -1.361 148 H GLN 17 H GLN 17 -4.852 13.157 -5.415 149 HA GLN 17 HA GLN 17 -4.372 15.862 -5.031 150 HB2 GLN 17 2HB GLN 17 -5.009 14.287 -7.175 151 HB3 GLN 17 3HB GLN 17 -6.462 15.264 -7.009 152 HG2 GLN 17 2HG GLN 17 -5.376 16.741 -8.272 153 HG3 GLN 17 3HG GLN 17 -4.515 17.147 -6.788 154 HE21 GLN 17 1HE2 GLN 17 -4.245 16.033 -9.952 155 HE22 GLN 17 2HE2 GLN 17 -2.580 15.575 -9.918 156 H TYR 18 H TYR 18 -7.171 13.976 -4.265 157 HA TYR 18 HA TYR 18 -8.800 16.361 -3.820 158 HB2 TYR 18 2HB TYR 18 -9.499 13.426 -3.608 159 HB3 TYR 18 3HB TYR 18 -10.631 14.754 -3.378 160 HD1 TYR 18 HD1 TYR 18 -8.334 13.253 -5.894 161 HD2 TYR 18 HD2 TYR 18 -11.788 15.639 -5.203 162 HE1 TYR 18 HE1 TYR 18 -8.804 13.260 -8.308 163 HE2 TYR 18 HE2 TYR 18 -12.269 15.651 -7.615 164 HH TYR 18 HH TYR 18 -11.228 15.302 -9.701 165 H GLU 19 H GLU 19 -7.034 13.912 -2.100 166 HA GLU 19 HA GLU 19 -8.233 14.369 0.451 167 HB2 GLU 19 2HB GLU 19 -5.579 13.112 -0.266 168 HB3 GLU 19 3HB GLU 19 -6.322 13.066 1.326 169 HG2 GLU 19 2HG GLU 19 -7.669 11.965 -1.119 170 HG3 GLU 19 3HG GLU 19 -6.586 11.007 -0.110 171 H ILE 20 H ILE 20 -5.412 15.627 -1.237 172 HA ILE 20 HA ILE 20 -4.110 16.927 0.829 173 HB ILE 20 HB ILE 20 -4.418 17.903 -2.013 174 HG12 ILE 20 2HG1 ILE 20 -1.936 16.573 -1.113 175 HG13 ILE 20 3HG1 ILE 20 -3.350 15.531 -1.239 176 HG21 ILE 20 1HG2 ILE 20 -1.920 18.616 -0.949 177 HG22 ILE 20 2HG2 ILE 20 -3.258 19.682 -1.374 178 HG23 ILE 20 3HG2 ILE 20 -3.120 19.052 0.267 179 HD11 ILE 20 1HD1 ILE 20 -2.838 15.324 -3.385 180 HD12 ILE 20 2HD1 ILE 20 -3.389 16.988 -3.584 181 HD13 ILE 20 3HD1 ILE 20 -1.679 16.651 -3.313 182 H ALA 21 H ALA 21 -7.012 17.844 -0.899 183 HA ALA 21 HA ALA 21 -7.230 20.524 -0.295 184 HB1 ALA 21 1HB ALA 21 -9.808 19.432 0.031 185 HB2 ALA 21 2HB ALA 21 -9.120 20.190 -1.405 186 HB3 ALA 21 3HB ALA 21 -8.980 18.447 -1.175 187 H TRP 22 H TRP 22 -8.162 17.751 1.716 188 HA TRP 22 HA TRP 22 -9.354 19.071 3.826 189 HB2 TRP 22 2HB TRP 22 -9.349 16.653 3.693 190 HB3 TRP 22 3HB TRP 22 -7.598 16.609 3.878 191 HD1 TRP 22 HD1 TRP 22 -6.623 17.225 6.348 192 HE1 TRP 22 HE1 TRP 22 -7.697 16.974 8.674 193 HE3 TRP 22 HE3 TRP 22 -11.515 16.751 4.939 194 HZ2 TRP 22 HZ2 TRP 22 -10.275 16.622 9.767 195 HZ3 TRP 22 HZ3 TRP 22 -13.223 16.461 6.686 196 HH2 TRP 22 HH2 TRP 22 -12.614 16.397 9.049 197 H PHE 23 H PHE 23 -5.905 18.447 3.290 198 HA PHE 23 HA PHE 23 -5.103 19.725 5.727 199 HB2 PHE 23 2HB PHE 23 -3.591 18.094 5.004 200 HB3 PHE 23 3HB PHE 23 -3.650 18.643 3.333 201 HD1 PHE 23 HD1 PHE 23 -2.129 20.239 2.521 202 HD2 PHE 23 HD2 PHE 23 -2.384 19.480 6.702 203 HE1 PHE 23 HE1 PHE 23 -0.088 21.564 2.883 204 HE2 PHE 23 HE2 PHE 23 -0.344 20.804 7.070 205 HZ PHE 23 HZ PHE 23 0.806 21.849 5.160 206 H LYS 24 H LYS 24 -5.597 20.705 2.423 207 HA LYS 24 HA LYS 24 -4.117 23.091 2.418 208 HB2 LYS 24 2HB LYS 24 -5.010 22.073 0.375 209 HB3 LYS 24 3HB LYS 24 -6.650 22.412 0.911 210 HG2 LYS 24 2HG LYS 24 -6.358 24.182 -0.470 211 HG3 LYS 24 3HG LYS 24 -5.703 24.887 1.010 212 HD2 LYS 24 2HD LYS 24 -3.438 24.024 0.226 213 HD3 LYS 24 3HD LYS 24 -4.209 23.745 -1.337 214 HE2 LYS 24 2HE LYS 24 -4.244 26.405 0.073 215 HE3 LYS 24 3HE LYS 24 -2.997 25.943 -1.084 216 HZ1 LYS 24 1HZ LYS 24 -4.696 25.671 -2.768 217 HZ2 LYS 24 2HZ LYS 24 -4.763 27.233 -2.123 218 HZ3 LYS 24 3HZ LYS 24 -5.908 26.077 -1.660 219 H ASN 25 H ASN 25 -7.244 22.295 3.733 220 HA ASN 25 HA ASN 25 -8.053 25.029 4.121 221 HB2 ASN 25 2HB ASN 25 -9.164 22.396 5.097 222 HB3 ASN 25 3HB ASN 25 -9.873 23.951 5.525 223 HD21 ASN 25 1HD2 ASN 25 -10.060 21.429 3.442 224 HD22 ASN 25 2HD2 ASN 25 -10.876 22.196 2.126 225 H LYS 26 H LYS 26 -5.928 22.950 5.683 226 HA LYS 26 HA LYS 26 -6.309 24.143 8.320 227 HB2 LYS 26 2HB LYS 26 -4.201 22.133 7.544 228 HB3 LYS 26 3HB LYS 26 -4.826 22.484 9.151 229 HG2 LYS 26 2HG LYS 26 -6.429 21.240 6.927 230 HG3 LYS 26 3HG LYS 26 -5.632 20.343 8.223 231 HD2 LYS 26 2HD LYS 26 -7.015 21.362 9.879 232 HD3 LYS 26 3HD LYS 26 -7.671 22.509 8.709 233 HE2 LYS 26 2HE LYS 26 -8.492 20.413 7.452 234 HE3 LYS 26 3HE LYS 26 -8.197 19.569 8.971 235 HZ1 LYS 26 1HZ LYS 26 -9.981 20.495 9.921 236 HZ2 LYS 26 2HZ LYS 26 -10.490 20.812 8.340 237 HZ3 LYS 26 3HZ LYS 26 -9.707 22.016 9.233 238 H HIS 27 H HIS 27 -4.121 24.215 5.600 239 HA HIS 27 HA HIS 27 -2.729 26.474 6.837 240 HB2 HIS 27 2HB HIS 27 -1.288 24.197 5.463 241 HB3 HIS 27 3HB HIS 27 -0.546 25.635 6.159 242 HD1 HIS 27 HD1 HIS 27 -2.321 22.468 7.181 243 HD2 HIS 27 HD2 HIS 27 -0.028 25.500 8.858 244 HE1 HIS 27 HE1 HIS 27 -1.805 21.705 9.521 245 H GLY 28 H GLY 28 -3.164 24.536 3.888 246 HA2 GLY 28 2HA GLY 28 -3.953 25.478 1.848 247 HA3 GLY 28 3HA GLY 28 -3.348 27.043 2.371 248 H TYR 29 H TYR 29 -1.407 24.166 2.664 249 HA TYR 29 HA TYR 29 0.218 25.060 0.376 250 HB2 TYR 29 2HB TYR 29 1.093 24.265 3.142 251 HB3 TYR 29 3HB TYR 29 2.189 24.142 1.770 252 HD1 TYR 29 HD1 TYR 29 -0.076 26.606 3.429 253 HD2 TYR 29 HD2 TYR 29 3.514 25.963 1.238 254 HE1 TYR 29 HE1 TYR 29 0.498 28.984 3.683 255 HE2 TYR 29 HE2 TYR 29 4.098 28.339 1.487 256 HH TYR 29 HH TYR 29 3.159 30.259 3.548 257 H TYR 30 H TYR 30 2.053 23.120 0.205 258 HA TYR 30 HA TYR 30 0.724 20.529 0.295 259 HB2 TYR 30 2HB TYR 30 1.961 21.353 -2.309 260 HB3 TYR 30 3HB TYR 30 0.783 20.085 -1.991 261 HD1 TYR 30 HD1 TYR 30 -1.551 20.529 -2.068 262 HD2 TYR 30 HD2 TYR 30 1.231 23.738 -2.317 263 HE1 TYR 30 HE1 TYR 30 -3.370 22.047 -2.730 264 HE2 TYR 30 HE2 TYR 30 -0.580 25.265 -2.979 265 HH TYR 30 HH TYR 30 -3.123 24.670 -4.223 266 HA PRO 31 HA PRO 31 5.408 19.936 -0.736 267 HB2 PRO 31 2HB PRO 31 6.915 22.178 -1.010 268 HB3 PRO 31 3HB PRO 31 6.076 21.413 -2.365 269 HG2 PRO 31 2HG PRO 31 5.264 23.785 -0.730 270 HG3 PRO 31 3HG PRO 31 5.174 23.553 -2.486 271 HD2 PRO 31 2HD PRO 31 3.023 23.266 -0.867 272 HD3 PRO 31 3HD PRO 31 3.236 22.313 -2.349 273 H TRP 32 H TRP 32 7.644 20.934 0.355 274 HA TRP 32 HA TRP 32 7.061 20.829 3.181 275 HB2 TRP 32 2HB TRP 32 9.329 20.382 3.501 276 HB3 TRP 32 3HB TRP 32 9.012 19.676 1.919 277 HD1 TRP 32 HD1 TRP 32 11.053 22.351 3.635 278 HE1 TRP 32 HE1 TRP 32 12.629 23.451 1.922 279 HE3 TRP 32 HE3 TRP 32 9.142 20.318 -0.649 280 HZ2 TRP 32 HZ2 TRP 32 13.010 23.457 -0.875 281 HZ3 TRP 32 HZ3 TRP 32 10.170 20.922 -2.802 282 HH2 TRP 32 HH2 TRP 32 12.063 22.460 -2.910 283 H GLU 33 H GLU 33 6.904 23.273 1.086 284 HA GLU 33 HA GLU 33 8.344 25.274 2.616 285 HB2 GLU 33 2HB GLU 33 6.458 25.760 0.313 286 HB3 GLU 33 3HB GLU 33 7.734 26.815 0.902 287 HG2 GLU 33 2HG GLU 33 9.425 25.318 0.101 288 HG3 GLU 33 3HG GLU 33 8.211 24.119 -0.343 289 H ILE 34 H ILE 34 6.526 24.088 4.245 290 HA ILE 34 HA ILE 34 4.170 25.816 4.335 291 HB ILE 34 HB ILE 34 4.878 23.438 6.058 292 HG12 ILE 34 2HG1 ILE 34 2.639 23.427 4.088 293 HG13 ILE 34 3HG1 ILE 34 4.278 23.258 3.470 294 HG21 ILE 34 1HG2 ILE 34 2.605 23.545 6.864 295 HG22 ILE 34 2HG2 ILE 34 3.404 25.089 7.152 296 HG23 ILE 34 3HG2 ILE 34 2.265 24.922 5.816 297 HD11 ILE 34 1HD1 ILE 34 3.313 21.520 5.698 298 HD12 ILE 34 2HD1 ILE 34 2.922 21.145 4.020 299 HD13 ILE 34 3HD1 ILE 34 4.606 21.233 4.534 300 HA PRO 35 HA PRO 35 6.043 28.457 7.348 301 HB2 PRO 35 2HB PRO 35 3.783 29.729 8.149 302 HB3 PRO 35 3HB PRO 35 4.580 30.066 6.608 303 HG2 PRO 35 2HG PRO 35 2.197 28.344 7.172 304 HG3 PRO 35 3HG PRO 35 2.456 29.499 5.851 305 HD2 PRO 35 2HD PRO 35 2.752 26.826 5.530 306 HD3 PRO 35 3HD PRO 35 3.723 28.010 4.630 307 H ARG 36 H ARG 36 5.132 29.282 9.676 308 HA ARG 36 HA ARG 36 4.769 26.807 11.209 309 HB2 ARG 36 2HB ARG 36 5.583 29.493 12.309 310 HB3 ARG 36 3HB ARG 36 5.777 27.912 13.055 311 HG2 ARG 36 2HG ARG 36 7.233 28.917 10.618 312 HG3 ARG 36 3HG ARG 36 7.900 28.750 12.244 313 HD2 ARG 36 2HD ARG 36 6.987 26.567 10.383 314 HD3 ARG 36 3HD ARG 36 8.616 26.860 10.991 315 HE ARG 36 HE ARG 36 7.186 26.434 13.245 316 HH11 ARG 36 1HH1 ARG 36 7.538 24.664 10.268 317 HH12 ARG 36 2HH1 ARG 36 7.283 23.117 11.006 318 HH21 ARG 36 1HH2 ARG 36 6.850 24.403 14.228 319 HH22 ARG 36 2HH2 ARG 36 6.891 22.970 13.259 320 H CYS 37 H CYS 37 3.421 26.911 13.162 321 HA CYS 37 HA CYS 37 0.957 28.373 12.600 322 HB2 CYS 37 2HB CYS 37 1.221 25.811 13.211 323 HB3 CYS 37 3HB CYS 37 1.198 26.431 14.857 324 HG CYS 37 HG CYS 37 -1.357 25.473 14.115 Start of MODEL 4 1 H MET 1 H MET 1 1.244 -0.720 0.696 2 HA MET 1 HA MET 1 3.483 -0.378 0.311 3 HB2 MET 1 2HB MET 1 4.174 -1.119 -1.924 4 HB3 MET 1 3HB MET 1 2.921 -2.160 -1.263 5 HG2 MET 1 2HG MET 1 1.250 -0.975 -2.619 6 HG3 MET 1 3HG MET 1 2.536 0.010 -3.311 7 HE1 MET 1 1HE MET 1 1.546 -4.182 -3.295 8 HE2 MET 1 2HE MET 1 0.449 -2.802 -3.272 9 HE3 MET 1 3HE MET 1 0.782 -3.639 -4.789 10 H LYS 2 H LYS 2 5.031 0.640 -1.588 11 HA LYS 2 HA LYS 2 4.013 3.247 -2.396 12 HB2 LYS 2 2HB LYS 2 6.146 2.810 -0.341 13 HB3 LYS 2 3HB LYS 2 6.247 4.207 -1.405 14 HG2 LYS 2 2HG LYS 2 4.212 5.091 -0.594 15 HG3 LYS 2 3HG LYS 2 3.807 3.587 0.235 16 HD2 LYS 2 2HD LYS 2 6.353 4.900 0.991 17 HD3 LYS 2 3HD LYS 2 4.860 5.696 1.494 18 HE2 LYS 2 2HE LYS 2 4.734 4.278 3.198 19 HE3 LYS 2 3HE LYS 2 4.515 2.964 2.043 20 HZ1 LYS 2 1HZ LYS 2 6.493 2.170 2.586 21 HZ2 LYS 2 2HZ LYS 2 6.658 3.374 3.762 22 HZ3 LYS 2 3HZ LYS 2 7.247 3.634 2.198 23 H PHE 3 H PHE 3 4.385 1.636 -4.307 24 HA PHE 3 HA PHE 3 7.151 1.548 -5.196 25 HB2 PHE 3 2HB PHE 3 4.575 0.375 -6.188 26 HB3 PHE 3 3HB PHE 3 5.971 0.458 -7.257 27 HD1 PHE 3 HD1 PHE 3 5.416 -0.444 -3.675 28 HD2 PHE 3 HD2 PHE 3 7.078 -1.532 -7.440 29 HE1 PHE 3 HE1 PHE 3 6.292 -2.519 -2.685 30 HE2 PHE 3 HE2 PHE 3 7.955 -3.610 -6.456 31 HZ PHE 3 HZ PHE 3 7.562 -4.106 -4.076 32 H LYS 4 H LYS 4 7.646 2.204 -7.466 33 HA LYS 4 HA LYS 4 6.267 4.726 -8.113 34 HB2 LYS 4 2HB LYS 4 9.122 4.025 -8.799 35 HB3 LYS 4 3HB LYS 4 8.343 5.596 -8.940 36 HG2 LYS 4 2HG LYS 4 9.246 6.058 -6.964 37 HG3 LYS 4 3HG LYS 4 8.028 4.980 -6.277 38 HD2 LYS 4 2HD LYS 4 10.000 4.132 -5.402 39 HD3 LYS 4 3HD LYS 4 9.742 3.109 -6.818 40 HE2 LYS 4 2HE LYS 4 11.181 5.023 -7.973 41 HE3 LYS 4 3HE LYS 4 11.782 5.211 -6.326 42 HZ1 LYS 4 1HZ LYS 4 13.074 3.459 -6.631 43 HZ2 LYS 4 2HZ LYS 4 12.510 3.289 -8.217 44 HZ3 LYS 4 3HZ LYS 4 11.732 2.480 -6.952 45 H PHE 5 H PHE 5 7.417 1.678 -9.301 46 HA PHE 5 HA PHE 5 6.883 2.374 -12.074 47 HB2 PHE 5 2HB PHE 5 7.892 -0.147 -10.753 48 HB3 PHE 5 3HB PHE 5 7.563 -0.031 -12.479 49 HD1 PHE 5 HD1 PHE 5 9.946 0.509 -9.893 50 HD2 PHE 5 HD2 PHE 5 8.813 1.760 -13.800 51 HE1 PHE 5 HE1 PHE 5 12.207 1.409 -10.256 52 HE2 PHE 5 HE2 PHE 5 11.072 2.661 -14.170 53 HZ PHE 5 HZ PHE 5 12.773 2.486 -12.398 54 H ASN 6 H ASN 6 5.475 0.513 -9.459 55 HA ASN 6 HA ASN 6 3.620 -1.026 -10.803 56 HB2 ASN 6 2HB ASN 6 3.870 0.083 -8.090 57 HB3 ASN 6 3HB ASN 6 2.217 -0.278 -8.576 58 HD21 ASN 6 1HD2 ASN 6 5.262 -1.889 -9.375 59 HD22 ASN 6 2HD2 ASN 6 4.819 -3.428 -8.727 60 HA PRO 7 HA PRO 7 0.575 1.615 -12.534 61 HB2 PRO 7 2HB PRO 7 -1.729 0.279 -12.009 62 HB3 PRO 7 3HB PRO 7 -0.549 -0.273 -13.203 63 HG2 PRO 7 2HG PRO 7 -0.960 -1.188 -10.383 64 HG3 PRO 7 3HG PRO 7 -0.655 -2.153 -11.839 65 HD2 PRO 7 2HD PRO 7 1.288 -1.564 -10.048 66 HD3 PRO 7 3HD PRO 7 1.613 -1.751 -11.783 67 H THR 8 H THR 8 -0.005 0.586 -9.209 68 HA THR 8 HA THR 8 -2.053 2.363 -8.541 69 HB THR 8 HB THR 8 -1.164 0.431 -7.140 70 HG1 THR 8 HG1 THR 8 -2.579 1.462 -5.935 71 HG21 THR 8 1HG2 THR 8 0.587 0.915 -5.541 72 HG22 THR 8 2HG2 THR 8 0.763 2.549 -6.180 73 HG23 THR 8 3HG2 THR 8 1.205 1.161 -7.173 74 H GLY 9 H GLY 9 1.264 2.950 -9.177 75 HA2 GLY 9 2HA GLY 9 1.881 5.139 -7.611 76 HA3 GLY 9 3HA GLY 9 2.468 4.905 -9.251 77 H THR 10 H THR 10 0.026 5.076 -10.626 78 HA THR 10 HA THR 10 -0.267 7.924 -10.734 79 HB THR 10 HB THR 10 -1.848 5.798 -12.193 80 HG1 THR 10 HG1 THR 10 -0.305 6.605 -13.919 81 HG21 THR 10 1HG2 THR 10 -1.503 8.331 -13.545 82 HG22 THR 10 2HG2 THR 10 -2.312 8.541 -11.992 83 HG23 THR 10 3HG2 THR 10 -2.983 7.439 -13.194 84 H ILE 11 H ILE 11 -2.487 5.243 -9.975 85 HA ILE 11 HA ILE 11 -4.748 6.732 -9.383 86 HB ILE 11 HB ILE 11 -3.841 4.161 -8.082 87 HG12 ILE 11 2HG1 ILE 11 -5.890 3.586 -9.835 88 HG13 ILE 11 3HG1 ILE 11 -4.989 4.832 -10.693 89 HG21 ILE 11 1HG2 ILE 11 -6.217 3.830 -7.548 90 HG22 ILE 11 2HG2 ILE 11 -5.545 5.248 -6.743 91 HG23 ILE 11 3HG2 ILE 11 -6.568 5.444 -8.166 92 HD11 ILE 11 1HD1 ILE 11 -2.934 3.346 -10.033 93 HD12 ILE 11 2HD1 ILE 11 -4.165 2.088 -9.916 94 HD13 ILE 11 3HD1 ILE 11 -3.931 2.956 -11.434 95 H VAL 12 H VAL 12 -2.293 5.544 -7.083 96 HA VAL 12 HA VAL 12 -3.296 6.713 -4.781 97 HB VAL 12 HB VAL 12 -0.408 6.244 -5.530 98 HG11 VAL 12 1HG1 VAL 12 0.015 6.293 -3.097 99 HG12 VAL 12 2HG1 VAL 12 -0.521 7.851 -3.728 100 HG13 VAL 12 3HG1 VAL 12 -1.647 6.822 -2.842 101 HG21 VAL 12 1HG2 VAL 12 -2.251 4.351 -5.334 102 HG22 VAL 12 2HG2 VAL 12 -0.610 4.115 -4.733 103 HG23 VAL 12 3HG2 VAL 12 -1.906 4.538 -3.615 104 H LYS 13 H LYS 13 -1.476 8.142 -7.396 105 HA LYS 13 HA LYS 13 -0.870 10.576 -6.003 106 HB2 LYS 13 2HB LYS 13 0.507 10.905 -7.731 107 HB3 LYS 13 3HB LYS 13 -0.028 9.357 -8.374 108 HG2 LYS 13 2HG LYS 13 -1.797 10.488 -9.625 109 HG3 LYS 13 3HG LYS 13 -1.256 12.040 -8.982 110 HD2 LYS 13 2HD LYS 13 0.521 10.195 -10.568 111 HD3 LYS 13 3HD LYS 13 -0.444 11.479 -11.301 112 HE2 LYS 13 2HE LYS 13 0.700 13.112 -9.833 113 HE3 LYS 13 3HE LYS 13 1.716 11.808 -9.221 114 HZ1 LYS 13 1HZ LYS 13 2.393 13.357 -11.269 115 HZ2 LYS 13 2HZ LYS 13 1.630 12.103 -12.109 116 HZ3 LYS 13 3HZ LYS 13 2.940 11.765 -11.093 117 H LYS 14 H LYS 14 -3.414 9.443 -8.133 118 HA LYS 14 HA LYS 14 -4.591 12.036 -8.501 119 HB2 LYS 14 2HB LYS 14 -5.638 9.255 -9.052 120 HB3 LYS 14 3HB LYS 14 -6.486 10.733 -9.487 121 HG2 LYS 14 2HG LYS 14 -3.817 9.811 -10.528 122 HG3 LYS 14 3HG LYS 14 -5.343 9.873 -11.413 123 HD2 LYS 14 2HD LYS 14 -5.374 12.330 -11.099 124 HD3 LYS 14 3HD LYS 14 -3.793 12.222 -10.322 125 HE2 LYS 14 2HE LYS 14 -3.104 10.994 -12.510 126 HE3 LYS 14 3HE LYS 14 -4.538 11.767 -13.183 127 HZ1 LYS 14 1HZ LYS 14 -1.994 12.884 -12.699 128 HZ2 LYS 14 2HZ LYS 14 -3.148 13.722 -11.790 129 HZ3 LYS 14 3HZ LYS 14 -3.330 13.584 -13.466 130 H LEU 15 H LEU 15 -5.436 9.144 -6.610 131 HA LEU 15 HA LEU 15 -7.759 10.114 -5.423 132 HB2 LEU 15 2HB LEU 15 -5.729 8.067 -4.662 133 HB3 LEU 15 3HB LEU 15 -6.964 8.525 -3.491 134 HG LEU 15 HG LEU 15 -7.384 6.454 -4.930 135 HD11 LEU 15 1HD1 LEU 15 -9.052 7.873 -3.576 136 HD12 LEU 15 2HD1 LEU 15 -9.681 6.760 -4.790 137 HD13 LEU 15 3HD1 LEU 15 -9.574 8.484 -5.146 138 HD21 LEU 15 1HD2 LEU 15 -8.023 8.584 -6.968 139 HD22 LEU 15 2HD2 LEU 15 -8.349 6.857 -7.126 140 HD23 LEU 15 3HD2 LEU 15 -6.684 7.440 -7.063 141 H THR 16 H THR 16 -4.399 10.680 -4.639 142 HA THR 16 HA THR 16 -4.893 11.865 -2.083 143 HB THR 16 HB THR 16 -2.467 12.054 -3.878 144 HG1 THR 16 HG1 THR 16 -1.718 10.344 -2.725 145 HG21 THR 16 1HG2 THR 16 -1.671 12.421 -1.250 146 HG22 THR 16 2HG2 THR 16 -3.147 13.379 -1.382 147 HG23 THR 16 3HG2 THR 16 -1.802 13.673 -2.485 148 H GLN 17 H GLN 17 -4.779 13.010 -5.371 149 HA GLN 17 HA GLN 17 -4.339 15.723 -4.994 150 HB2 GLN 17 2HB GLN 17 -4.628 14.358 -7.176 151 HB3 GLN 17 3HB GLN 17 -6.340 14.713 -6.994 152 HG2 GLN 17 2HG GLN 17 -6.035 16.990 -7.313 153 HG3 GLN 17 3HG GLN 17 -4.315 16.910 -6.934 154 HE21 GLN 17 1HE2 GLN 17 -2.895 15.978 -8.489 155 HE22 GLN 17 2HE2 GLN 17 -3.312 15.977 -10.166 156 H TYR 18 H TYR 18 -7.121 13.804 -4.252 157 HA TYR 18 HA TYR 18 -8.788 16.170 -3.840 158 HB2 TYR 18 2HB TYR 18 -9.451 13.227 -3.619 159 HB3 TYR 18 3HB TYR 18 -10.603 14.542 -3.415 160 HD1 TYR 18 HD1 TYR 18 -8.254 13.049 -5.886 161 HD2 TYR 18 HD2 TYR 18 -11.743 15.404 -5.263 162 HE1 TYR 18 HE1 TYR 18 -8.691 13.032 -8.307 163 HE2 TYR 18 HE2 TYR 18 -12.190 15.393 -7.681 164 HH TYR 18 HH TYR 18 -11.382 14.862 -9.700 165 H GLU 19 H GLU 19 -7.012 13.753 -2.085 166 HA GLU 19 HA GLU 19 -8.248 14.209 0.448 167 HB2 GLU 19 2HB GLU 19 -5.572 12.978 -0.231 168 HB3 GLU 19 3HB GLU 19 -6.331 12.935 1.354 169 HG2 GLU 19 2HG GLU 19 -7.632 11.798 -1.101 170 HG3 GLU 19 3HG GLU 19 -6.559 10.862 -0.062 171 H ILE 20 H ILE 20 -5.420 15.490 -1.211 172 HA ILE 20 HA ILE 20 -4.160 16.817 0.864 173 HB ILE 20 HB ILE 20 -4.442 17.771 -1.988 174 HG12 ILE 20 2HG1 ILE 20 -1.957 16.475 -1.047 175 HG13 ILE 20 3HG1 ILE 20 -3.357 15.417 -1.187 176 HG21 ILE 20 1HG2 ILE 20 -1.965 18.519 -0.896 177 HG22 ILE 20 2HG2 ILE 20 -3.309 19.568 -1.346 178 HG23 ILE 20 3HG2 ILE 20 -3.187 18.950 0.301 179 HD11 ILE 20 1HD1 ILE 20 -2.851 15.211 -3.330 180 HD12 ILE 20 2HD1 ILE 20 -3.354 16.889 -3.538 181 HD13 ILE 20 3HD1 ILE 20 -1.658 16.507 -3.239 182 H ALA 21 H ALA 21 -7.049 17.690 -0.908 183 HA ALA 21 HA ALA 21 -7.305 20.371 -0.323 184 HB1 ALA 21 1HB ALA 21 -9.874 19.245 -0.023 185 HB2 ALA 21 2HB ALA 21 -9.180 20.013 -1.452 186 HB3 ALA 21 3HB ALA 21 -9.017 18.272 -1.219 187 H TRP 22 H TRP 22 -8.231 17.600 1.692 188 HA TRP 22 HA TRP 22 -9.466 18.919 3.779 189 HB2 TRP 22 2HB TRP 22 -9.441 16.505 3.672 190 HB3 TRP 22 3HB TRP 22 -7.689 16.473 3.856 191 HD1 TRP 22 HD1 TRP 22 -6.709 17.049 6.317 192 HE1 TRP 22 HE1 TRP 22 -7.779 16.827 8.648 193 HE3 TRP 22 HE3 TRP 22 -11.614 16.680 4.926 194 HZ2 TRP 22 HZ2 TRP 22 -10.361 16.534 9.750 195 HZ3 TRP 22 HZ3 TRP 22 -13.322 16.431 6.680 196 HH2 TRP 22 HH2 TRP 22 -12.706 16.359 9.041 197 H PHE 23 H PHE 23 -6.004 18.332 3.291 198 HA PHE 23 HA PHE 23 -5.248 19.634 5.730 199 HB2 PHE 23 2HB PHE 23 -3.708 18.015 5.037 200 HB3 PHE 23 3HB PHE 23 -3.752 18.553 3.361 201 HD1 PHE 23 HD1 PHE 23 -2.238 20.161 2.560 202 HD2 PHE 23 HD2 PHE 23 -2.540 19.425 6.742 203 HE1 PHE 23 HE1 PHE 23 -0.216 21.511 2.940 204 HE2 PHE 23 HE2 PHE 23 -0.519 20.775 7.128 205 HZ PHE 23 HZ PHE 23 0.645 21.821 5.227 206 H LYS 24 H LYS 24 -5.709 20.588 2.414 207 HA LYS 24 HA LYS 24 -4.257 22.990 2.413 208 HB2 LYS 24 2HB LYS 24 -5.112 21.950 0.365 209 HB3 LYS 24 3HB LYS 24 -6.763 22.273 0.879 210 HG2 LYS 24 2HG LYS 24 -6.472 24.037 -0.510 211 HG3 LYS 24 3HG LYS 24 -5.846 24.759 0.974 212 HD2 LYS 24 2HD LYS 24 -3.560 23.918 0.225 213 HD3 LYS 24 3HD LYS 24 -4.307 23.620 -1.347 214 HE2 LYS 24 2HE LYS 24 -4.391 26.288 0.047 215 HE3 LYS 24 3HE LYS 24 -3.124 25.834 -1.091 216 HZ1 LYS 24 1HZ LYS 24 -5.319 25.253 -2.495 217 HZ2 LYS 24 2HZ LYS 24 -4.517 26.739 -2.577 218 HZ3 LYS 24 3HZ LYS 24 -5.880 26.568 -1.590 219 H ASN 25 H ASN 25 -7.391 22.167 3.693 220 HA ASN 25 HA ASN 25 -8.235 24.894 4.054 221 HB2 ASN 25 2HB ASN 25 -9.328 22.248 5.007 222 HB3 ASN 25 3HB ASN 25 -10.051 23.789 5.460 223 HD21 ASN 25 1HD2 ASN 25 -10.111 21.308 3.273 224 HD22 ASN 25 2HD2 ASN 25 -10.971 22.087 1.993 225 H LYS 26 H LYS 26 -6.107 22.848 5.656 226 HA LYS 26 HA LYS 26 -6.535 24.052 8.281 227 HB2 LYS 26 2HB LYS 26 -4.395 22.062 7.544 228 HB3 LYS 26 3HB LYS 26 -5.044 22.415 9.140 229 HG2 LYS 26 2HG LYS 26 -6.605 21.140 6.903 230 HG3 LYS 26 3HG LYS 26 -5.814 20.260 8.214 231 HD2 LYS 26 2HD LYS 26 -7.429 22.357 9.307 232 HD3 LYS 26 3HD LYS 26 -8.397 21.391 8.191 233 HE2 LYS 26 2HE LYS 26 -7.876 19.380 9.377 234 HE3 LYS 26 3HE LYS 26 -6.691 20.216 10.380 235 HZ1 LYS 26 1HZ LYS 26 -8.532 21.560 11.282 236 HZ2 LYS 26 2HZ LYS 26 -8.697 19.911 11.622 237 HZ3 LYS 26 3HZ LYS 26 -9.632 20.621 10.403 238 H HIS 27 H HIS 27 -4.314 24.134 5.588 239 HA HIS 27 HA HIS 27 -2.964 26.416 6.829 240 HB2 HIS 27 2HB HIS 27 -1.479 24.147 5.489 241 HB3 HIS 27 3HB HIS 27 -0.763 25.598 6.185 242 HD1 HIS 27 HD1 HIS 27 -2.515 22.417 7.204 243 HD2 HIS 27 HD2 HIS 27 -0.279 25.484 8.892 244 HE1 HIS 27 HE1 HIS 27 -2.021 21.673 9.555 245 H GLY 28 H GLY 28 -3.339 24.455 3.887 246 HA2 GLY 28 2HA GLY 28 -4.111 25.375 1.831 247 HA3 GLY 28 3HA GLY 28 -3.531 26.950 2.352 248 H TYR 29 H TYR 29 -1.562 24.097 2.689 249 HA TYR 29 HA TYR 29 0.083 24.995 0.416 250 HB2 TYR 29 2HB TYR 29 0.931 24.226 3.197 251 HB3 TYR 29 3HB TYR 29 2.046 24.107 1.841 252 HD1 TYR 29 HD1 TYR 29 -0.269 26.556 3.454 253 HD2 TYR 29 HD2 TYR 29 3.358 25.940 1.317 254 HE1 TYR 29 HE1 TYR 29 0.274 28.942 3.701 255 HE2 TYR 29 HE2 TYR 29 3.913 28.324 1.560 256 HH TYR 29 HH TYR 29 1.669 30.641 2.544 257 H TYR 30 H TYR 30 1.941 23.074 0.280 258 HA TYR 30 HA TYR 30 0.639 20.470 0.369 259 HB2 TYR 30 2HB TYR 30 1.901 21.292 -2.224 260 HB3 TYR 30 3HB TYR 30 0.733 20.012 -1.913 261 HD1 TYR 30 HD1 TYR 30 -1.604 20.430 -2.023 262 HD2 TYR 30 HD2 TYR 30 1.145 23.669 -2.256 263 HE1 TYR 30 HE1 TYR 30 -3.431 21.923 -2.717 264 HE2 TYR 30 HE2 TYR 30 -0.675 25.171 -2.950 265 HH TYR 30 HH TYR 30 -2.903 24.986 -4.028 266 HA PRO 31 HA PRO 31 5.343 19.922 -0.598 267 HB2 PRO 31 2HB PRO 31 6.828 22.179 -0.866 268 HB3 PRO 31 3HB PRO 31 6.015 21.397 -2.227 269 HG2 PRO 31 2HG PRO 31 5.156 23.770 -0.617 270 HG3 PRO 31 3HG PRO 31 5.092 23.526 -2.372 271 HD2 PRO 31 2HD PRO 31 2.923 23.225 -0.780 272 HD3 PRO 31 3HD PRO 31 3.166 22.266 -2.254 273 H TRP 32 H TRP 32 7.553 20.951 0.516 274 HA TRP 32 HA TRP 32 6.935 20.857 3.335 275 HB2 TRP 32 2HB TRP 32 9.203 20.436 3.686 276 HB3 TRP 32 3HB TRP 32 8.915 19.719 2.104 277 HD1 TRP 32 HD1 TRP 32 10.903 22.425 3.833 278 HE1 TRP 32 HE1 TRP 32 12.489 23.534 2.135 279 HE3 TRP 32 HE3 TRP 32 9.072 20.349 -0.466 280 HZ2 TRP 32 HZ2 TRP 32 12.908 23.529 -0.656 281 HZ3 TRP 32 HZ3 TRP 32 10.122 20.954 -2.607 282 HH2 TRP 32 HH2 TRP 32 11.999 22.512 -2.699 283 H GLU 33 H GLU 33 6.778 23.287 1.224 284 HA GLU 33 HA GLU 33 8.176 25.312 2.759 285 HB2 GLU 33 2HB GLU 33 6.315 25.763 0.430 286 HB3 GLU 33 3HB GLU 33 7.571 26.837 1.029 287 HG2 GLU 33 2HG GLU 33 9.289 25.353 0.258 288 HG3 GLU 33 3HG GLU 33 8.094 24.139 -0.194 289 H ILE 34 H ILE 34 6.349 24.115 4.371 290 HA ILE 34 HA ILE 34 3.973 25.817 4.421 291 HB ILE 34 HB ILE 34 4.685 23.457 6.167 292 HG12 ILE 34 2HG1 ILE 34 2.474 23.410 4.168 293 HG13 ILE 34 3HG1 ILE 34 4.123 23.255 3.573 294 HG21 ILE 34 1HG2 ILE 34 3.178 25.101 7.231 295 HG22 ILE 34 2HG2 ILE 34 2.060 24.911 5.881 296 HG23 ILE 34 3HG2 ILE 34 2.401 23.544 6.942 297 HD11 ILE 34 1HD1 ILE 34 2.841 21.119 4.069 298 HD12 ILE 34 2HD1 ILE 34 4.469 21.257 4.732 299 HD13 ILE 34 3HD1 ILE 34 3.069 21.516 5.772 300 HA PRO 35 HA PRO 35 5.779 28.496 7.442 301 HB2 PRO 35 2HB PRO 35 3.494 29.748 8.207 302 HB3 PRO 35 3HB PRO 35 4.308 30.085 6.674 303 HG2 PRO 35 2HG PRO 35 1.936 28.340 7.217 304 HG3 PRO 35 3HG PRO 35 2.200 29.490 5.892 305 HD2 PRO 35 2HD PRO 35 2.530 26.819 5.591 306 HD3 PRO 35 3HD PRO 35 3.499 28.007 4.697 307 H ARG 36 H ARG 36 4.820 29.326 9.752 308 HA ARG 36 HA ARG 36 3.602 27.195 11.274 309 HB2 ARG 36 2HB ARG 36 5.507 27.035 12.875 310 HB3 ARG 36 3HB ARG 36 5.868 26.387 11.280 311 HG2 ARG 36 2HG ARG 36 6.626 29.085 11.207 312 HG3 ARG 36 3HG ARG 36 7.203 28.449 12.749 313 HD2 ARG 36 2HD ARG 36 7.634 26.906 10.223 314 HD3 ARG 36 3HD ARG 36 8.698 28.252 10.631 315 HE ARG 36 HE ARG 36 8.512 26.579 12.861 316 HH11 ARG 36 1HH1 ARG 36 9.766 26.526 9.614 317 HH12 ARG 36 2HH1 ARG 36 11.031 25.401 9.981 318 HH21 ARG 36 1HH2 ARG 36 10.175 25.099 13.358 319 HH22 ARG 36 2HH2 ARG 36 11.263 24.589 12.111 320 H CYS 37 H CYS 37 3.231 27.818 13.536 321 HA CYS 37 HA CYS 37 3.228 30.742 13.894 322 HB2 CYS 37 2HB CYS 37 1.038 28.746 14.236 323 HB3 CYS 37 3HB CYS 37 1.097 30.107 15.351 324 HG CYS 37 HG CYS 37 0.050 30.001 12.214 Start of MODEL 5 1 H MET 1 H MET 1 5.124 -2.104 -1.309 2 HA MET 1 HA MET 1 4.405 -0.326 -0.089 3 HB2 MET 1 2HB MET 1 7.363 -0.213 0.451 4 HB3 MET 1 3HB MET 1 6.257 0.961 1.152 5 HG2 MET 1 2HG MET 1 6.409 -0.600 2.824 6 HG3 MET 1 3HG MET 1 4.963 -1.131 1.970 7 HE1 MET 1 1HE MET 1 5.822 -3.502 3.649 8 HE2 MET 1 2HE MET 1 4.643 -3.424 2.340 9 HE3 MET 1 3HE MET 1 5.852 -4.709 2.362 10 H LYS 2 H LYS 2 3.502 1.020 -1.562 11 HA LYS 2 HA LYS 2 3.247 2.764 -3.006 12 HB2 LYS 2 2HB LYS 2 5.365 3.715 -1.110 13 HB3 LYS 2 3HB LYS 2 4.893 4.726 -2.470 14 HG2 LYS 2 2HG LYS 2 2.477 4.010 -1.390 15 HG3 LYS 2 3HG LYS 2 3.508 4.188 0.032 16 HD2 LYS 2 2HD LYS 2 4.219 6.386 -1.372 17 HD3 LYS 2 3HD LYS 2 2.535 6.215 -1.873 18 HE2 LYS 2 2HE LYS 2 1.913 6.076 0.541 19 HE3 LYS 2 3HE LYS 2 3.589 6.449 0.942 20 HZ1 LYS 2 1HZ LYS 2 2.197 8.250 -0.893 21 HZ2 LYS 2 2HZ LYS 2 3.369 8.594 0.277 22 HZ3 LYS 2 3HZ LYS 2 1.767 8.316 0.742 23 H PHE 3 H PHE 3 4.272 0.962 -4.474 24 HA PHE 3 HA PHE 3 6.878 1.226 -5.452 25 HB2 PHE 3 2HB PHE 3 4.349 0.051 -6.538 26 HB3 PHE 3 3HB PHE 3 5.747 0.204 -7.596 27 HD1 PHE 3 HD1 PHE 3 6.842 -1.786 -7.861 28 HD2 PHE 3 HD2 PHE 3 5.254 -0.807 -4.035 29 HE1 PHE 3 HE1 PHE 3 7.762 -3.878 -6.948 30 HE2 PHE 3 HE2 PHE 3 6.172 -2.897 -3.116 31 HZ PHE 3 HZ PHE 3 7.428 -4.435 -4.572 32 H LYS 4 H LYS 4 7.412 1.886 -7.743 33 HA LYS 4 HA LYS 4 6.117 4.466 -8.335 34 HB2 LYS 4 2HB LYS 4 8.930 3.697 -9.100 35 HB3 LYS 4 3HB LYS 4 8.207 5.300 -9.113 36 HG2 LYS 4 2HG LYS 4 9.186 5.592 -7.139 37 HG3 LYS 4 3HG LYS 4 7.938 4.526 -6.490 38 HD2 LYS 4 2HD LYS 4 9.407 2.596 -6.859 39 HD3 LYS 4 3HD LYS 4 10.655 3.672 -7.493 40 HE2 LYS 4 2HE LYS 4 11.326 4.252 -5.444 41 HE3 LYS 4 3HE LYS 4 9.673 4.519 -4.893 42 HZ1 LYS 4 1HZ LYS 4 9.573 2.500 -3.967 43 HZ2 LYS 4 2HZ LYS 4 11.262 2.540 -4.029 44 HZ3 LYS 4 3HZ LYS 4 10.391 1.743 -5.240 45 H PHE 5 H PHE 5 7.220 1.424 -9.619 46 HA PHE 5 HA PHE 5 6.662 2.195 -12.363 47 HB2 PHE 5 2HB PHE 5 7.538 -0.440 -11.163 48 HB3 PHE 5 3HB PHE 5 7.336 -0.144 -12.887 49 HD1 PHE 5 HD1 PHE 5 8.851 1.397 -14.064 50 HD2 PHE 5 HD2 PHE 5 9.454 0.332 -9.988 51 HE1 PHE 5 HE1 PHE 5 11.167 2.217 -14.196 52 HE2 PHE 5 HE2 PHE 5 11.770 1.151 -10.113 53 HZ PHE 5 HZ PHE 5 12.630 2.095 -12.218 54 H ASN 6 H ASN 6 5.217 0.326 -9.779 55 HA ASN 6 HA ASN 6 3.318 -1.143 -11.140 56 HB2 ASN 6 2HB ASN 6 3.600 -0.078 -8.410 57 HB3 ASN 6 3HB ASN 6 1.939 -0.401 -8.898 58 HD21 ASN 6 1HD2 ASN 6 1.269 -2.325 -8.328 59 HD22 ASN 6 2HD2 ASN 6 2.227 -3.760 -8.240 60 HA PRO 7 HA PRO 7 0.338 1.606 -12.817 61 HB2 PRO 7 2HB PRO 7 -1.999 0.323 -12.305 62 HB3 PRO 7 3HB PRO 7 -0.838 -0.241 -13.512 63 HG2 PRO 7 2HG PRO 7 -1.264 -1.190 -10.705 64 HG3 PRO 7 3HG PRO 7 -0.990 -2.139 -12.177 65 HD2 PRO 7 2HD PRO 7 0.975 -1.631 -10.385 66 HD3 PRO 7 3HD PRO 7 1.289 -1.798 -12.124 67 H THR 8 H THR 8 -0.260 0.538 -9.507 68 HA THR 8 HA THR 8 -2.257 2.359 -8.804 69 HB THR 8 HB THR 8 -1.418 0.381 -7.437 70 HG1 THR 8 HG1 THR 8 -2.005 1.449 -5.489 71 HG21 THR 8 1HG2 THR 8 0.971 1.046 -7.467 72 HG22 THR 8 2HG2 THR 8 0.350 0.789 -5.836 73 HG23 THR 8 3HG2 THR 8 0.569 2.428 -6.448 74 H GLY 9 H GLY 9 1.073 2.865 -9.440 75 HA2 GLY 9 2HA GLY 9 1.754 5.010 -7.840 76 HA3 GLY 9 3HA GLY 9 2.330 4.788 -9.485 77 H THR 10 H THR 10 -0.110 5.049 -10.850 78 HA THR 10 HA THR 10 -0.325 7.905 -10.910 79 HB THR 10 HB THR 10 -1.967 5.847 -12.400 80 HG1 THR 10 HG1 THR 10 0.071 5.573 -13.130 81 HG21 THR 10 1HG2 THR 10 -3.060 7.536 -13.369 82 HG22 THR 10 2HG2 THR 10 -1.556 8.391 -13.711 83 HG23 THR 10 3HG2 THR 10 -2.354 8.599 -12.153 84 H ILE 11 H ILE 11 -2.616 5.273 -10.189 85 HA ILE 11 HA ILE 11 -4.834 6.813 -9.566 86 HB ILE 11 HB ILE 11 -3.993 4.198 -8.311 87 HG12 ILE 11 2HG1 ILE 11 -6.062 3.707 -10.066 88 HG13 ILE 11 3HG1 ILE 11 -5.133 4.943 -10.906 89 HG21 ILE 11 1HG2 ILE 11 -5.663 5.307 -6.947 90 HG22 ILE 11 2HG2 ILE 11 -6.683 5.558 -8.363 91 HG23 ILE 11 3HG2 ILE 11 -6.378 3.924 -7.776 92 HD11 ILE 11 1HD1 ILE 11 -3.114 3.391 -10.275 93 HD12 ILE 11 2HD1 ILE 11 -4.380 2.165 -10.183 94 HD13 ILE 11 3HD1 ILE 11 -4.123 3.057 -11.683 95 H VAL 12 H VAL 12 -2.406 5.521 -7.293 96 HA VAL 12 HA VAL 12 -3.372 6.679 -4.969 97 HB VAL 12 HB VAL 12 -0.499 6.144 -5.734 98 HG11 VAL 12 1HG1 VAL 12 -1.718 6.712 -3.034 99 HG12 VAL 12 2HG1 VAL 12 -0.069 6.141 -3.301 100 HG13 VAL 12 3HG1 VAL 12 -0.565 7.723 -3.905 101 HG21 VAL 12 1HG2 VAL 12 -2.038 4.448 -3.844 102 HG22 VAL 12 2HG2 VAL 12 -2.394 4.298 -5.565 103 HG23 VAL 12 3HG2 VAL 12 -0.758 4.008 -4.975 104 H LYS 13 H LYS 13 -1.519 8.101 -7.566 105 HA LYS 13 HA LYS 13 -0.844 10.494 -6.134 106 HB2 LYS 13 2HB LYS 13 0.538 10.813 -7.860 107 HB3 LYS 13 3HB LYS 13 -0.040 9.292 -8.527 108 HG2 LYS 13 2HG LYS 13 -1.780 10.490 -9.755 109 HG3 LYS 13 3HG LYS 13 -1.195 12.016 -9.088 110 HD2 LYS 13 2HD LYS 13 1.094 11.001 -10.123 111 HD3 LYS 13 3HD LYS 13 -0.097 10.345 -11.249 112 HE2 LYS 13 2HE LYS 13 0.313 12.352 -12.255 113 HE3 LYS 13 3HE LYS 13 -1.000 12.828 -11.180 114 HZ1 LYS 13 1HZ LYS 13 1.339 13.086 -9.724 115 HZ2 LYS 13 2HZ LYS 13 0.362 14.329 -10.325 116 HZ3 LYS 13 3HZ LYS 13 1.666 13.761 -11.241 117 H LYS 14 H LYS 14 -3.421 9.466 -8.276 118 HA LYS 14 HA LYS 14 -4.528 12.096 -8.600 119 HB2 LYS 14 2HB LYS 14 -5.652 9.353 -9.190 120 HB3 LYS 14 3HB LYS 14 -6.462 10.860 -9.599 121 HG2 LYS 14 2HG LYS 14 -3.822 9.883 -10.664 122 HG3 LYS 14 3HG LYS 14 -5.348 10.000 -11.542 123 HD2 LYS 14 2HD LYS 14 -5.313 12.451 -11.190 124 HD3 LYS 14 3HD LYS 14 -3.732 12.289 -10.421 125 HE2 LYS 14 2HE LYS 14 -2.665 11.949 -12.387 126 HE3 LYS 14 3HE LYS 14 -4.013 11.051 -13.085 127 HZ1 LYS 14 1HZ LYS 14 -3.706 13.135 -14.231 128 HZ2 LYS 14 2HZ LYS 14 -3.846 14.001 -12.786 129 HZ3 LYS 14 3HZ LYS 14 -5.180 13.162 -13.400 130 H LEU 15 H LEU 15 -5.448 9.199 -6.751 131 HA LEU 15 HA LEU 15 -7.740 10.211 -5.542 132 HB2 LEU 15 2HB LEU 15 -5.760 8.104 -4.815 133 HB3 LEU 15 3HB LEU 15 -6.980 8.577 -3.634 134 HG LEU 15 HG LEU 15 -7.452 6.536 -5.105 135 HD11 LEU 15 1HD1 LEU 15 -9.758 6.915 -4.993 136 HD12 LEU 15 2HD1 LEU 15 -9.575 8.654 -5.221 137 HD13 LEU 15 3HD1 LEU 15 -9.082 7.907 -3.701 138 HD21 LEU 15 1HD2 LEU 15 -6.747 7.551 -7.224 139 HD22 LEU 15 2HD2 LEU 15 -8.065 8.716 -7.099 140 HD23 LEU 15 3HD2 LEU 15 -8.420 6.998 -7.286 141 H THR 16 H THR 16 -4.366 10.682 -4.760 142 HA THR 16 HA THR 16 -4.817 11.839 -2.185 143 HB THR 16 HB THR 16 -2.401 12.013 -3.997 144 HG1 THR 16 HG1 THR 16 -3.112 9.895 -3.095 145 HG21 THR 16 1HG2 THR 16 -1.588 12.314 -1.361 146 HG22 THR 16 2HG2 THR 16 -3.037 13.313 -1.479 147 HG23 THR 16 3HG2 THR 16 -1.685 13.586 -2.578 148 H GLN 17 H GLN 17 -4.706 13.037 -5.455 149 HA GLN 17 HA GLN 17 -4.210 15.734 -5.036 150 HB2 GLN 17 2HB GLN 17 -4.543 14.410 -7.238 151 HB3 GLN 17 3HB GLN 17 -6.246 14.799 -7.037 152 HG2 GLN 17 2HG GLN 17 -5.346 17.240 -6.772 153 HG3 GLN 17 3HG GLN 17 -3.947 16.593 -7.628 154 HE21 GLN 17 1HE2 GLN 17 -4.656 15.169 -9.573 155 HE22 GLN 17 2HE2 GLN 17 -5.830 15.894 -10.612 156 H TYR 18 H TYR 18 -7.025 13.857 -4.306 157 HA TYR 18 HA TYR 18 -8.642 16.246 -3.843 158 HB2 TYR 18 2HB TYR 18 -9.359 13.312 -3.668 159 HB3 TYR 18 3HB TYR 18 -10.484 14.644 -3.428 160 HD1 TYR 18 HD1 TYR 18 -11.633 15.550 -5.247 161 HD2 TYR 18 HD2 TYR 18 -8.181 13.164 -5.950 162 HE1 TYR 18 HE1 TYR 18 -12.102 15.595 -7.661 163 HE2 TYR 18 HE2 TYR 18 -8.640 13.203 -8.366 164 HH TYR 18 HH TYR 18 -9.979 14.933 -9.958 165 H GLU 19 H GLU 19 -6.900 13.767 -2.141 166 HA GLU 19 HA GLU 19 -8.109 14.204 0.408 167 HB2 GLU 19 2HB GLU 19 -5.461 12.934 -0.311 168 HB3 GLU 19 3HB GLU 19 -6.210 12.879 1.279 169 HG2 GLU 19 2HG GLU 19 -7.540 11.803 -1.189 170 HG3 GLU 19 3HG GLU 19 -6.491 10.833 -0.157 171 H ILE 20 H ILE 20 -5.269 15.458 -1.250 172 HA ILE 20 HA ILE 20 -3.969 16.727 0.837 173 HB ILE 20 HB ILE 20 -4.253 17.734 -1.997 174 HG12 ILE 20 2HG1 ILE 20 -1.787 16.375 -1.096 175 HG13 ILE 20 3HG1 ILE 20 -3.208 15.347 -1.242 176 HG21 ILE 20 1HG2 ILE 20 -1.755 18.417 -0.911 177 HG22 ILE 20 2HG2 ILE 20 -3.083 19.498 -1.333 178 HG23 ILE 20 3HG2 ILE 20 -2.960 18.850 0.302 179 HD11 ILE 20 1HD1 ILE 20 -2.660 15.154 -3.383 180 HD12 ILE 20 2HD1 ILE 20 -3.236 16.810 -3.572 181 HD13 ILE 20 3HD1 ILE 20 -1.523 16.499 -3.296 182 H ALA 21 H ALA 21 -6.853 17.683 -0.899 183 HA ALA 21 HA ALA 21 -7.055 20.359 -0.268 184 HB1 ALA 21 1HB ALA 21 -8.674 19.477 -1.718 185 HB2 ALA 21 2HB ALA 21 -9.159 18.237 -0.561 186 HB3 ALA 21 3HB ALA 21 -9.566 19.927 -0.265 187 H TRP 22 H TRP 22 -8.020 17.573 1.708 188 HA TRP 22 HA TRP 22 -9.214 18.880 3.825 189 HB2 TRP 22 2HB TRP 22 -9.179 16.441 3.610 190 HB3 TRP 22 3HB TRP 22 -7.447 16.425 3.931 191 HD1 TRP 22 HD1 TRP 22 -6.660 16.839 6.459 192 HE1 TRP 22 HE1 TRP 22 -7.913 16.635 8.699 193 HE3 TRP 22 HE3 TRP 22 -11.461 16.778 4.702 194 HZ2 TRP 22 HZ2 TRP 22 -10.582 16.470 9.601 195 HZ3 TRP 22 HZ3 TRP 22 -13.306 16.594 6.319 196 HH2 TRP 22 HH2 TRP 22 -12.874 16.442 8.717 197 H PHE 23 H PHE 23 -5.767 18.235 3.302 198 HA PHE 23 HA PHE 23 -4.969 19.482 5.757 199 HB2 PHE 23 2HB PHE 23 -3.465 17.846 5.026 200 HB3 PHE 23 3HB PHE 23 -3.511 18.412 3.360 201 HD1 PHE 23 HD1 PHE 23 -2.260 19.207 6.745 202 HD2 PHE 23 HD2 PHE 23 -1.972 20.004 2.574 203 HE1 PHE 23 HE1 PHE 23 -0.212 20.512 7.139 204 HE2 PHE 23 HE2 PHE 23 0.077 21.310 2.961 205 HZ PHE 23 HZ PHE 23 0.960 21.564 5.246 206 H LYS 24 H LYS 24 -5.436 20.499 2.461 207 HA LYS 24 HA LYS 24 -3.938 22.873 2.489 208 HB2 LYS 24 2HB LYS 24 -4.827 21.884 0.431 209 HB3 LYS 24 3HB LYS 24 -6.468 22.230 0.961 210 HG2 LYS 24 2HG LYS 24 -6.153 24.011 -0.400 211 HG3 LYS 24 3HG LYS 24 -5.502 24.696 1.091 212 HD2 LYS 24 2HD LYS 24 -3.239 23.824 0.311 213 HD3 LYS 24 3HD LYS 24 -4.002 23.567 -1.260 214 HE2 LYS 24 2HE LYS 24 -4.025 26.212 0.179 215 HE3 LYS 24 3HE LYS 24 -2.775 25.753 -0.975 216 HZ1 LYS 24 1HZ LYS 24 -5.341 25.299 -2.075 217 HZ2 LYS 24 2HZ LYS 24 -4.102 26.299 -2.645 218 HZ3 LYS 24 3HZ LYS 24 -5.227 26.897 -1.533 219 H ASN 25 H ASN 25 -7.078 22.089 3.778 220 HA ASN 25 HA ASN 25 -7.867 24.825 4.190 221 HB2 ASN 25 2HB ASN 25 -9.006 22.200 5.161 222 HB3 ASN 25 3HB ASN 25 -9.714 23.764 5.551 223 HD21 ASN 25 1HD2 ASN 25 -9.941 21.212 3.542 224 HD22 ASN 25 2HD2 ASN 25 -10.704 21.963 2.185 225 H LYS 26 H LYS 26 -5.768 22.713 5.743 226 HA LYS 26 HA LYS 26 -6.154 23.880 8.390 227 HB2 LYS 26 2HB LYS 26 -4.058 21.863 7.605 228 HB3 LYS 26 3HB LYS 26 -4.689 22.201 9.211 229 HG2 LYS 26 2HG LYS 26 -6.288 20.993 6.964 230 HG3 LYS 26 3HG LYS 26 -5.507 20.077 8.255 231 HD2 LYS 26 2HD LYS 26 -6.963 20.865 9.872 232 HD3 LYS 26 3HD LYS 26 -7.388 22.300 8.936 233 HE2 LYS 26 2HE LYS 26 -8.448 20.667 7.272 234 HE3 LYS 26 3HE LYS 26 -8.312 19.467 8.557 235 HZ1 LYS 26 1HZ LYS 26 -9.491 21.952 9.406 236 HZ2 LYS 26 2HZ LYS 26 -10.009 20.363 9.669 237 HZ3 LYS 26 3HZ LYS 26 -10.393 21.149 8.221 238 H HIS 27 H HIS 27 -3.951 23.965 5.683 239 HA HIS 27 HA HIS 27 -2.549 26.200 6.951 240 HB2 HIS 27 2HB HIS 27 -1.117 23.926 5.563 241 HB3 HIS 27 3HB HIS 27 -0.368 25.351 6.277 242 HD1 HIS 27 HD1 HIS 27 -2.173 22.187 7.257 243 HD2 HIS 27 HD2 HIS 27 0.132 25.184 8.978 244 HE1 HIS 27 HE1 HIS 27 -1.677 21.396 9.592 245 H GLY 28 H GLY 28 -2.981 24.296 3.980 246 HA2 GLY 28 2HA GLY 28 -3.751 25.264 1.945 247 HA3 GLY 28 3HA GLY 28 -3.137 26.819 2.487 248 H TYR 29 H TYR 29 -1.220 23.924 2.762 249 HA TYR 29 HA TYR 29 0.425 24.829 0.493 250 HB2 TYR 29 2HB TYR 29 1.278 23.997 3.255 251 HB3 TYR 29 3HB TYR 29 2.381 23.880 1.889 252 HD1 TYR 29 HD1 TYR 29 0.125 26.344 3.560 253 HD2 TYR 29 HD2 TYR 29 3.724 25.696 1.385 254 HE1 TYR 29 HE1 TYR 29 0.717 28.715 3.843 255 HE2 TYR 29 HE2 TYR 29 4.326 28.064 1.663 256 HH TYR 29 HH TYR 29 2.852 30.091 3.856 257 H TYR 30 H TYR 30 2.246 22.876 0.312 258 HA TYR 30 HA TYR 30 0.895 20.295 0.367 259 HB2 TYR 30 2HB TYR 30 2.154 21.137 -2.221 260 HB3 TYR 30 3HB TYR 30 0.964 19.875 -1.924 261 HD1 TYR 30 HD1 TYR 30 -1.366 20.339 -2.009 262 HD2 TYR 30 HD2 TYR 30 1.444 23.528 -2.208 263 HE1 TYR 30 HE1 TYR 30 -3.168 21.878 -2.665 264 HE2 TYR 30 HE2 TYR 30 -0.351 25.076 -2.864 265 HH TYR 30 HH TYR 30 -3.567 23.945 -3.622 266 HA PRO 31 HA PRO 31 5.581 19.675 -0.644 267 HB2 PRO 31 2HB PRO 31 7.107 21.907 -0.885 268 HB3 PRO 31 3HB PRO 31 6.270 21.164 -2.253 269 HG2 PRO 31 2HG PRO 31 5.467 23.525 -0.598 270 HG3 PRO 31 3HG PRO 31 5.386 23.312 -2.356 271 HD2 PRO 31 2HD PRO 31 3.223 23.026 -0.753 272 HD3 PRO 31 3HD PRO 31 3.437 22.087 -2.244 273 H TRP 32 H TRP 32 7.818 20.643 0.470 274 HA TRP 32 HA TRP 32 7.218 20.513 3.292 275 HB2 TRP 32 2HB TRP 32 9.480 20.044 3.620 276 HB3 TRP 32 3HB TRP 32 9.168 19.359 2.027 277 HD1 TRP 32 HD1 TRP 32 11.219 21.997 3.787 278 HE1 TRP 32 HE1 TRP 32 12.814 23.104 2.097 279 HE3 TRP 32 HE3 TRP 32 9.318 20.029 -0.532 280 HZ2 TRP 32 HZ2 TRP 32 13.213 23.139 -0.697 281 HZ3 TRP 32 HZ3 TRP 32 10.364 20.651 -2.671 282 HH2 TRP 32 HH2 TRP 32 12.270 22.174 -2.750 283 H GLU 33 H GLU 33 7.092 22.981 1.223 284 HA GLU 33 HA GLU 33 8.540 24.954 2.781 285 HB2 GLU 33 2HB GLU 33 6.671 25.478 0.474 286 HB3 GLU 33 3HB GLU 33 7.952 26.518 1.081 287 HG2 GLU 33 2HG GLU 33 9.636 25.016 0.273 288 HG3 GLU 33 3HG GLU 33 8.415 23.832 -0.190 289 H ILE 34 H ILE 34 6.702 23.764 4.387 290 HA ILE 34 HA ILE 34 4.360 25.510 4.483 291 HB ILE 34 HB ILE 34 5.039 23.108 6.184 292 HG12 ILE 34 2HG1 ILE 34 2.812 23.137 4.201 293 HG13 ILE 34 3HG1 ILE 34 4.454 22.960 3.591 294 HG21 ILE 34 1HG2 ILE 34 2.440 24.616 5.943 295 HG22 ILE 34 2HG2 ILE 34 2.762 23.225 6.977 296 HG23 ILE 34 3HG2 ILE 34 3.572 24.760 7.287 297 HD11 ILE 34 1HD1 ILE 34 3.102 21.176 5.601 298 HD12 ILE 34 2HD1 ILE 34 3.424 20.800 3.908 299 HD13 ILE 34 3HD1 ILE 34 4.763 21.008 5.036 300 HA PRO 35 HA PRO 35 6.237 28.103 7.535 301 HB2 PRO 35 2HB PRO 35 3.982 29.385 8.337 302 HB3 PRO 35 3HB PRO 35 4.791 29.732 6.804 303 HG2 PRO 35 2HG PRO 35 2.391 28.024 7.335 304 HG3 PRO 35 3HG PRO 35 2.666 29.190 6.028 305 HD2 PRO 35 2HD PRO 35 2.943 26.519 5.680 306 HD3 PRO 35 3HD PRO 35 3.929 27.704 4.799 307 H ARG 36 H ARG 36 5.307 28.913 9.865 308 HA ARG 36 HA ARG 36 5.524 26.664 11.547 309 HB2 ARG 36 2HB ARG 36 4.527 29.439 12.221 310 HB3 ARG 36 3HB ARG 36 5.057 28.227 13.381 311 HG2 ARG 36 2HG ARG 36 7.036 29.241 13.258 312 HG3 ARG 36 3HG ARG 36 7.213 28.404 11.714 313 HD2 ARG 36 2HD ARG 36 6.890 30.288 10.504 314 HD3 ARG 36 3HD ARG 36 5.718 30.945 11.645 315 HE ARG 36 HE ARG 36 8.537 31.444 11.589 316 HH11 ARG 36 1HH1 ARG 36 5.728 31.280 13.639 317 HH12 ARG 36 2HH1 ARG 36 6.374 32.359 14.831 318 HH21 ARG 36 1HH2 ARG 36 9.398 32.865 13.151 319 HH22 ARG 36 2HH2 ARG 36 8.462 33.261 14.552 320 H CYS 37 H CYS 37 3.907 26.179 13.316 321 HA CYS 37 HA CYS 37 1.342 25.644 12.062 322 HB2 CYS 37 2HB CYS 37 2.886 24.537 14.319 323 HB3 CYS 37 3HB CYS 37 1.142 24.564 14.554 324 HG CYS 37 HG CYS 37 2.538 22.128 13.394 Start of MODEL 6 1 H MET 1 H MET 1 2.122 -0.940 0.259 2 HA MET 1 HA MET 1 1.915 -0.741 -2.652 3 HB2 MET 1 2HB MET 1 0.288 0.657 -0.523 4 HB3 MET 1 3HB MET 1 -0.045 0.646 -2.249 5 HG2 MET 1 2HG MET 1 -1.185 -1.238 -2.079 6 HG3 MET 1 3HG MET 1 0.163 -2.040 -1.276 7 HE1 MET 1 1HE MET 1 -2.014 -3.352 -0.485 8 HE2 MET 1 2HE MET 1 -0.872 -3.429 0.857 9 HE3 MET 1 3HE MET 1 -2.572 -3.069 1.164 10 H LYS 2 H LYS 2 4.246 0.104 -2.416 11 HA LYS 2 HA LYS 2 4.108 3.004 -2.582 12 HB2 LYS 2 2HB LYS 2 5.774 1.511 -0.580 13 HB3 LYS 2 3HB LYS 2 6.316 3.062 -1.207 14 HG2 LYS 2 2HG LYS 2 3.888 3.809 -0.512 15 HG3 LYS 2 3HG LYS 2 4.029 2.429 0.579 16 HD2 LYS 2 2HD LYS 2 6.343 3.492 1.161 17 HD3 LYS 2 3HD LYS 2 5.619 4.959 0.499 18 HE2 LYS 2 2HE LYS 2 3.744 3.718 2.252 19 HE3 LYS 2 3HE LYS 2 5.294 3.845 3.081 20 HZ1 LYS 2 1HZ LYS 2 3.504 5.954 2.154 21 HZ2 LYS 2 2HZ LYS 2 5.164 6.259 2.049 22 HZ3 LYS 2 3HZ LYS 2 4.466 5.885 3.544 23 H PHE 3 H PHE 3 4.304 1.820 -4.805 24 HA PHE 3 HA PHE 3 7.156 1.485 -5.453 25 HB2 PHE 3 2HB PHE 3 4.663 0.271 -6.582 26 HB3 PHE 3 3HB PHE 3 6.079 0.444 -7.614 27 HD1 PHE 3 HD1 PHE 3 7.164 -1.555 -7.870 28 HD2 PHE 3 HD2 PHE 3 5.578 -0.548 -4.050 29 HE1 PHE 3 HE1 PHE 3 8.096 -3.633 -6.939 30 HE2 PHE 3 HE2 PHE 3 6.508 -2.624 -3.113 31 HZ PHE 3 HZ PHE 3 7.770 -4.169 -4.557 32 H LYS 4 H LYS 4 7.639 2.095 -7.810 33 HA LYS 4 HA LYS 4 6.350 4.683 -8.387 34 HB2 LYS 4 2HB LYS 4 9.172 3.915 -9.128 35 HB3 LYS 4 3HB LYS 4 8.441 5.513 -9.194 36 HG2 LYS 4 2HG LYS 4 9.403 5.865 -7.222 37 HG3 LYS 4 3HG LYS 4 8.147 4.819 -6.554 38 HD2 LYS 4 2HD LYS 4 9.622 2.879 -6.852 39 HD3 LYS 4 3HD LYS 4 10.878 3.939 -7.495 40 HE2 LYS 4 2HE LYS 4 9.681 4.424 -4.790 41 HE3 LYS 4 3HE LYS 4 10.978 3.250 -5.009 42 HZ1 LYS 4 1HZ LYS 4 11.499 5.791 -6.254 43 HZ2 LYS 4 2HZ LYS 4 12.485 4.860 -5.243 44 HZ3 LYS 4 3HZ LYS 4 11.325 5.894 -4.574 45 H PHE 5 H PHE 5 7.517 1.659 -9.679 46 HA PHE 5 HA PHE 5 6.919 2.418 -12.416 47 HB2 PHE 5 2HB PHE 5 7.894 -0.172 -11.200 48 HB3 PHE 5 3HB PHE 5 7.614 0.061 -12.923 49 HD1 PHE 5 HD1 PHE 5 8.822 2.229 -13.902 50 HD2 PHE 5 HD2 PHE 5 10.036 0.079 -10.435 51 HE1 PHE 5 HE1 PHE 5 11.103 3.117 -14.154 52 HE2 PHE 5 HE2 PHE 5 12.318 0.965 -10.681 53 HZ PHE 5 HZ PHE 5 12.854 2.486 -12.541 54 H ASN 6 H ASN 6 5.534 0.508 -9.827 55 HA ASN 6 HA ASN 6 3.658 -0.998 -11.180 56 HB2 ASN 6 2HB ASN 6 3.934 0.067 -8.448 57 HB3 ASN 6 3HB ASN 6 2.279 -0.296 -8.927 58 HD21 ASN 6 1HD2 ASN 6 1.651 -2.246 -8.398 59 HD22 ASN 6 2HD2 ASN 6 2.648 -3.654 -8.305 60 HA PRO 7 HA PRO 7 0.606 1.688 -12.828 61 HB2 PRO 7 2HB PRO 7 -1.698 0.351 -12.305 62 HB3 PRO 7 3HB PRO 7 -0.532 -0.183 -13.521 63 HG2 PRO 7 2HG PRO 7 -0.918 -1.150 -10.715 64 HG3 PRO 7 3HG PRO 7 -0.632 -2.088 -12.192 65 HD2 PRO 7 2HD PRO 7 1.333 -1.541 -10.411 66 HD3 PRO 7 3HD PRO 7 1.639 -1.696 -12.153 67 H THR 8 H THR 8 0.056 0.597 -9.517 68 HA THR 8 HA THR 8 -1.977 2.370 -8.794 69 HB THR 8 HB THR 8 -1.084 0.407 -7.440 70 HG1 THR 8 HG1 THR 8 -2.422 1.365 -6.116 71 HG21 THR 8 1HG2 THR 8 0.686 0.851 -5.850 72 HG22 THR 8 2HG2 THR 8 0.863 2.497 -6.458 73 HG23 THR 8 3HG2 THR 8 1.289 1.127 -7.484 74 H GLY 9 H GLY 9 1.336 2.954 -9.453 75 HA2 GLY 9 2HA GLY 9 1.978 5.109 -7.850 76 HA3 GLY 9 3HA GLY 9 2.548 4.905 -9.500 77 H THR 10 H THR 10 0.094 5.114 -10.848 78 HA THR 10 HA THR 10 -0.187 7.965 -10.897 79 HB THR 10 HB THR 10 -1.793 5.876 -12.382 80 HG1 THR 10 HG1 THR 10 -0.295 6.169 -14.018 81 HG21 THR 10 1HG2 THR 10 -2.927 7.542 -13.343 82 HG22 THR 10 2HG2 THR 10 -1.444 8.434 -13.685 83 HG23 THR 10 3HG2 THR 10 -2.241 8.615 -12.123 84 H ILE 11 H ILE 11 -2.412 5.279 -10.168 85 HA ILE 11 HA ILE 11 -4.661 6.765 -9.525 86 HB ILE 11 HB ILE 11 -3.751 4.166 -8.285 87 HG12 ILE 11 2HG1 ILE 11 -5.820 3.632 -10.026 88 HG13 ILE 11 3HG1 ILE 11 -4.928 4.894 -10.869 89 HG21 ILE 11 1HG2 ILE 11 -6.124 3.835 -7.732 90 HG22 ILE 11 2HG2 ILE 11 -5.435 5.232 -6.906 91 HG23 ILE 11 3HG2 ILE 11 -6.473 5.463 -8.313 92 HD11 ILE 11 1HD1 ILE 11 -2.868 3.386 -10.257 93 HD12 ILE 11 2HD1 ILE 11 -4.105 2.131 -10.165 94 HD13 ILE 11 3HD1 ILE 11 -3.877 3.037 -11.660 95 H VAL 12 H VAL 12 -2.189 5.522 -7.273 96 HA VAL 12 HA VAL 12 -3.164 6.651 -4.939 97 HB VAL 12 HB VAL 12 -0.285 6.185 -5.725 98 HG11 VAL 12 1HG1 VAL 12 -0.374 7.756 -3.891 99 HG12 VAL 12 2HG1 VAL 12 -1.497 6.714 -3.014 100 HG13 VAL 12 3HG1 VAL 12 0.162 6.185 -3.297 101 HG21 VAL 12 1HG2 VAL 12 -2.137 4.297 -5.548 102 HG22 VAL 12 2HG2 VAL 12 -0.490 4.041 -4.973 103 HG23 VAL 12 3HG2 VAL 12 -1.769 4.446 -3.829 104 H LYS 13 H LYS 13 -1.363 8.123 -7.544 105 HA LYS 13 HA LYS 13 -0.733 10.527 -6.109 106 HB2 LYS 13 2HB LYS 13 0.629 10.883 -7.844 107 HB3 LYS 13 3HB LYS 13 0.081 9.351 -8.512 108 HG2 LYS 13 2HG LYS 13 -1.694 10.513 -9.724 109 HG3 LYS 13 3HG LYS 13 -1.140 12.050 -9.056 110 HD2 LYS 13 2HD LYS 13 0.827 10.340 -10.493 111 HD3 LYS 13 3HD LYS 13 -0.370 11.221 -11.445 112 HE2 LYS 13 2HE LYS 13 0.362 13.256 -10.013 113 HE3 LYS 13 3HE LYS 13 1.790 12.282 -9.663 114 HZ1 LYS 13 1HZ LYS 13 2.394 13.516 -11.513 115 HZ2 LYS 13 2HZ LYS 13 0.884 13.356 -12.258 116 HZ3 LYS 13 3HZ LYS 13 1.938 12.034 -12.190 117 H LYS 14 H LYS 14 -3.301 9.446 -8.237 118 HA LYS 14 HA LYS 14 -4.470 12.051 -8.544 119 HB2 LYS 14 2HB LYS 14 -5.535 9.285 -9.136 120 HB3 LYS 14 3HB LYS 14 -6.382 10.774 -9.535 121 HG2 LYS 14 2HG LYS 14 -3.727 9.861 -10.620 122 HG3 LYS 14 3HG LYS 14 -5.262 9.945 -11.488 123 HD2 LYS 14 2HD LYS 14 -5.280 12.396 -11.128 124 HD3 LYS 14 3HD LYS 14 -3.691 12.268 -10.370 125 HE2 LYS 14 2HE LYS 14 -3.072 11.050 -12.609 126 HE3 LYS 14 3HE LYS 14 -4.472 11.923 -13.230 127 HZ1 LYS 14 1HZ LYS 14 -3.200 13.704 -13.433 128 HZ2 LYS 14 2HZ LYS 14 -1.874 12.886 -12.774 129 HZ3 LYS 14 3HZ LYS 14 -2.938 13.727 -11.762 130 H LEU 15 H LEU 15 -5.310 9.128 -6.699 131 HA LEU 15 HA LEU 15 -7.617 10.083 -5.471 132 HB2 LEU 15 2HB LEU 15 -5.583 8.020 -4.764 133 HB3 LEU 15 3HB LEU 15 -6.806 8.461 -3.574 134 HG LEU 15 HG LEU 15 -7.241 6.414 -5.047 135 HD11 LEU 15 1HD1 LEU 15 -9.640 7.860 -5.497 136 HD12 LEU 15 2HD1 LEU 15 -8.944 8.410 -3.973 137 HD13 LEU 15 3HD1 LEU 15 -9.276 6.696 -4.223 138 HD21 LEU 15 1HD2 LEU 15 -7.914 8.584 -7.032 139 HD22 LEU 15 2HD2 LEU 15 -8.235 6.860 -7.220 140 HD23 LEU 15 3HD2 LEU 15 -6.573 7.448 -7.169 141 H THR 16 H THR 16 -4.249 10.629 -4.711 142 HA THR 16 HA THR 16 -4.710 11.769 -2.129 143 HB THR 16 HB THR 16 -2.310 12.003 -3.954 144 HG1 THR 16 HG1 THR 16 -2.590 10.404 -1.623 145 HG21 THR 16 1HG2 THR 16 -1.601 13.574 -2.532 146 HG22 THR 16 2HG2 THR 16 -1.507 12.307 -1.308 147 HG23 THR 16 3HG2 THR 16 -2.961 13.295 -1.445 148 H GLN 17 H GLN 17 -4.646 12.977 -5.396 149 HA GLN 17 HA GLN 17 -4.208 15.684 -4.974 150 HB2 GLN 17 2HB GLN 17 -4.856 14.114 -7.136 151 HB3 GLN 17 3HB GLN 17 -6.288 15.118 -6.959 152 HG2 GLN 17 2HG GLN 17 -5.162 17.056 -7.436 153 HG3 GLN 17 3HG GLN 17 -3.609 16.410 -6.909 154 HE21 GLN 17 1HE2 GLN 17 -2.261 15.610 -8.387 155 HE22 GLN 17 2HE2 GLN 17 -2.642 15.370 -10.055 156 H TYR 18 H TYR 18 -6.975 13.742 -4.231 157 HA TYR 18 HA TYR 18 -8.643 16.094 -3.752 158 HB2 TYR 18 2HB TYR 18 -9.291 13.144 -3.579 159 HB3 TYR 18 3HB TYR 18 -10.445 14.450 -3.328 160 HD1 TYR 18 HD1 TYR 18 -8.127 13.026 -5.869 161 HD2 TYR 18 HD2 TYR 18 -11.623 15.338 -5.138 162 HE1 TYR 18 HE1 TYR 18 -8.602 13.059 -8.282 163 HE2 TYR 18 HE2 TYR 18 -12.109 15.377 -7.549 164 HH TYR 18 HH TYR 18 -10.648 13.343 -9.752 165 H GLU 19 H GLU 19 -6.835 13.651 -2.066 166 HA GLU 19 HA GLU 19 -8.037 14.056 0.492 167 HB2 GLU 19 2HB GLU 19 -5.367 12.846 -0.249 168 HB3 GLU 19 3HB GLU 19 -6.101 12.773 1.347 169 HG2 GLU 19 2HG GLU 19 -7.420 11.667 -1.114 170 HG3 GLU 19 3HG GLU 19 -6.350 10.721 -0.082 171 H ILE 20 H ILE 20 -5.236 15.376 -1.182 172 HA ILE 20 HA ILE 20 -3.952 16.669 0.900 173 HB ILE 20 HB ILE 20 -4.275 17.675 -1.930 174 HG12 ILE 20 2HG1 ILE 20 -1.774 16.369 -1.046 175 HG13 ILE 20 3HG1 ILE 20 -3.173 15.310 -1.187 176 HG21 ILE 20 1HG2 ILE 20 -3.141 19.464 -1.268 177 HG22 ILE 20 2HG2 ILE 20 -2.992 18.813 0.364 178 HG23 ILE 20 3HG2 ILE 20 -1.786 18.412 -0.859 179 HD11 ILE 20 1HD1 ILE 20 -1.511 16.461 -3.244 180 HD12 ILE 20 2HD1 ILE 20 -2.679 15.143 -3.338 181 HD13 ILE 20 3HD1 ILE 20 -3.219 16.813 -3.511 182 H ALA 21 H ALA 21 -6.867 17.565 -0.817 183 HA ALA 21 HA ALA 21 -7.123 20.234 -0.181 184 HB1 ALA 21 1HB ALA 21 -9.083 18.036 -0.629 185 HB2 ALA 21 2HB ALA 21 -9.666 19.596 -0.047 186 HB3 ALA 21 3HB ALA 21 -8.788 19.497 -1.573 187 H TRP 22 H TRP 22 -8.015 17.424 1.796 188 HA TRP 22 HA TRP 22 -9.225 18.701 3.923 189 HB2 TRP 22 2HB TRP 22 -9.166 16.276 3.737 190 HB3 TRP 22 3HB TRP 22 -7.420 16.274 3.973 191 HD1 TRP 22 HD1 TRP 22 -6.516 16.737 6.465 192 HE1 TRP 22 HE1 TRP 22 -7.654 16.493 8.761 193 HE3 TRP 22 HE3 TRP 22 -11.389 16.516 4.936 194 HZ2 TRP 22 HZ2 TRP 22 -10.271 16.241 9.788 195 HZ3 TRP 22 HZ3 TRP 22 -13.150 16.273 6.638 196 HH2 TRP 22 HH2 TRP 22 -12.600 16.138 9.013 197 H PHE 23 H PHE 23 -5.768 18.135 3.378 198 HA PHE 23 HA PHE 23 -4.984 19.396 5.830 199 HB2 PHE 23 2HB PHE 23 -3.448 17.796 5.087 200 HB3 PHE 23 3HB PHE 23 -3.516 18.364 3.422 201 HD1 PHE 23 HD1 PHE 23 -2.020 19.994 2.631 202 HD2 PHE 23 HD2 PHE 23 -2.261 19.178 6.801 203 HE1 PHE 23 HE1 PHE 23 0.002 21.345 3.009 204 HE2 PHE 23 HE2 PHE 23 -0.241 20.528 7.186 205 HZ PHE 23 HZ PHE 23 0.893 21.614 5.289 206 H LYS 24 H LYS 24 -5.493 20.408 2.538 207 HA LYS 24 HA LYS 24 -4.050 22.815 2.562 208 HB2 LYS 24 2HB LYS 24 -4.927 21.808 0.507 209 HB3 LYS 24 3HB LYS 24 -6.572 22.117 1.047 210 HG2 LYS 24 2HG LYS 24 -6.306 23.907 -0.313 211 HG3 LYS 24 3HG LYS 24 -5.661 24.604 1.175 212 HD2 LYS 24 2HD LYS 24 -3.384 23.784 0.380 213 HD3 LYS 24 3HD LYS 24 -4.151 23.511 -1.186 214 HE2 LYS 24 2HE LYS 24 -4.224 26.154 0.256 215 HE3 LYS 24 3HE LYS 24 -2.971 25.724 -0.908 216 HZ1 LYS 24 1HZ LYS 24 -4.328 26.432 -2.489 217 HZ2 LYS 24 2HZ LYS 24 -5.591 26.674 -1.389 218 HZ3 LYS 24 3HZ LYS 24 -5.389 25.165 -2.127 219 H ASN 25 H ASN 25 -7.164 21.957 3.867 220 HA ASN 25 HA ASN 25 -8.014 24.673 4.288 221 HB2 ASN 25 2HB ASN 25 -9.089 22.035 5.302 222 HB3 ASN 25 3HB ASN 25 -9.844 23.593 5.626 223 HD21 ASN 25 1HD2 ASN 25 -10.142 20.977 3.803 224 HD22 ASN 25 2HD2 ASN 25 -10.842 21.650 2.374 225 H LYS 26 H LYS 26 -5.858 22.608 5.826 226 HA LYS 26 HA LYS 26 -6.256 23.765 8.476 227 HB2 LYS 26 2HB LYS 26 -4.122 21.793 7.676 228 HB3 LYS 26 3HB LYS 26 -4.746 22.119 9.287 229 HG2 LYS 26 2HG LYS 26 -6.343 20.879 7.056 230 HG3 LYS 26 3HG LYS 26 -5.525 19.976 8.335 231 HD2 LYS 26 2HD LYS 26 -6.944 20.832 9.996 232 HD3 LYS 26 3HD LYS 26 -7.514 22.140 8.957 233 HE2 LYS 26 2HE LYS 26 -8.419 20.223 7.466 234 HE3 LYS 26 3HE LYS 26 -8.232 19.232 8.912 235 HZ1 LYS 26 1HZ LYS 26 -10.131 21.367 8.357 236 HZ2 LYS 26 2HZ LYS 26 -9.527 21.298 9.935 237 HZ3 LYS 26 3HZ LYS 26 -10.322 19.959 9.275 238 H HIS 27 H HIS 27 -4.070 23.899 5.757 239 HA HIS 27 HA HIS 27 -2.711 26.164 7.020 240 HB2 HIS 27 2HB HIS 27 -1.237 23.924 5.620 241 HB3 HIS 27 3HB HIS 27 -0.516 25.364 6.333 242 HD1 HIS 27 HD1 HIS 27 -2.247 22.160 7.317 243 HD2 HIS 27 HD2 HIS 27 0.006 25.202 9.029 244 HE1 HIS 27 HE1 HIS 27 -1.719 21.376 9.648 245 H GLY 28 H GLY 28 -3.118 24.254 4.049 246 HA2 GLY 28 2HA GLY 28 -3.921 25.208 2.020 247 HA3 GLY 28 3HA GLY 28 -3.339 26.776 2.561 248 H TYR 29 H TYR 29 -1.355 23.925 2.821 249 HA TYR 29 HA TYR 29 0.256 24.870 0.543 250 HB2 TYR 29 2HB TYR 29 1.143 24.054 3.299 251 HB3 TYR 29 3HB TYR 29 2.241 23.964 1.926 252 HD1 TYR 29 HD1 TYR 29 -0.061 26.373 3.615 253 HD2 TYR 29 HD2 TYR 29 3.539 25.811 1.418 254 HE1 TYR 29 HE1 TYR 29 0.477 28.756 3.899 255 HE2 TYR 29 HE2 TYR 29 4.087 28.192 1.696 256 HH TYR 29 HH TYR 29 1.819 30.474 2.881 257 H TYR 30 H TYR 30 2.120 22.959 0.350 258 HA TYR 30 HA TYR 30 0.828 20.348 0.408 259 HB2 TYR 30 2HB TYR 30 2.053 21.222 -2.186 260 HB3 TYR 30 3HB TYR 30 0.894 19.932 -1.883 261 HD1 TYR 30 HD1 TYR 30 -1.446 20.343 -1.955 262 HD2 TYR 30 HD2 TYR 30 1.288 23.596 -2.165 263 HE1 TYR 30 HE1 TYR 30 -3.288 21.841 -2.598 264 HE2 TYR 30 HE2 TYR 30 -0.545 25.103 -2.808 265 HH TYR 30 HH TYR 30 -3.398 24.141 -3.960 266 HA PRO 31 HA PRO 31 5.521 19.836 -0.630 267 HB2 PRO 31 2HB PRO 31 6.994 22.103 -0.876 268 HB3 PRO 31 3HB PRO 31 6.167 21.342 -2.240 269 HG2 PRO 31 2HG PRO 31 5.320 23.683 -0.577 270 HG3 PRO 31 3HG PRO 31 5.234 23.470 -2.335 271 HD2 PRO 31 2HD PRO 31 3.087 23.133 -0.720 272 HD3 PRO 31 3HD PRO 31 3.314 22.201 -2.214 273 H TRP 32 H TRP 32 7.742 20.854 0.473 274 HA TRP 32 HA TRP 32 7.160 20.706 3.298 275 HB2 TRP 32 2HB TRP 32 9.435 20.288 3.612 276 HB3 TRP 32 3HB TRP 32 9.129 19.598 2.021 277 HD1 TRP 32 HD1 TRP 32 11.130 22.280 3.773 278 HE1 TRP 32 HE1 TRP 32 12.689 23.425 2.075 279 HE3 TRP 32 HE3 TRP 32 9.250 20.275 -0.538 280 HZ2 TRP 32 HZ2 TRP 32 13.071 23.473 -0.721 281 HZ3 TRP 32 HZ3 TRP 32 10.269 20.923 -2.682 282 HH2 TRP 32 HH2 TRP 32 12.139 22.489 -2.770 283 H GLU 33 H GLU 33 6.967 23.173 1.233 284 HA GLU 33 HA GLU 33 8.378 25.176 2.787 285 HB2 GLU 33 2HB GLU 33 6.485 25.661 0.491 286 HB3 GLU 33 3HB GLU 33 7.745 26.729 1.093 287 HG2 GLU 33 2HG GLU 33 9.458 25.266 0.273 288 HG3 GLU 33 3HG GLU 33 8.262 24.056 -0.186 289 H ILE 34 H ILE 34 6.577 23.942 4.401 290 HA ILE 34 HA ILE 34 4.196 25.634 4.513 291 HB ILE 34 HB ILE 34 4.939 23.246 6.206 292 HG12 ILE 34 2HG1 ILE 34 2.701 23.226 4.236 293 HG13 ILE 34 3HG1 ILE 34 4.343 23.090 3.616 294 HG21 ILE 34 1HG2 ILE 34 3.441 24.863 7.319 295 HG22 ILE 34 2HG2 ILE 34 2.306 24.695 5.981 296 HG23 ILE 34 3HG2 ILE 34 2.664 23.310 7.012 297 HD11 ILE 34 1HD1 ILE 34 4.724 21.099 4.858 298 HD12 ILE 34 2HD1 ILE 34 3.208 21.293 5.740 299 HD13 ILE 34 3HD1 ILE 34 3.185 20.924 4.016 300 HA PRO 35 HA PRO 35 6.031 28.265 7.558 301 HB2 PRO 35 2HB PRO 35 3.752 29.495 8.375 302 HB3 PRO 35 3HB PRO 35 4.545 29.862 6.838 303 HG2 PRO 35 2HG PRO 35 2.186 28.099 7.379 304 HG3 PRO 35 3HG PRO 35 2.429 29.273 6.073 305 HD2 PRO 35 2HD PRO 35 2.764 26.610 5.719 306 HD3 PRO 35 3HD PRO 35 3.718 27.818 4.834 307 H ARG 36 H ARG 36 5.096 29.050 9.895 308 HA ARG 36 HA ARG 36 4.336 26.610 11.357 309 HB2 ARG 36 2HB ARG 36 5.818 27.491 13.222 310 HB3 ARG 36 3HB ARG 36 6.645 26.854 11.807 311 HG2 ARG 36 2HG ARG 36 6.092 29.734 11.718 312 HG3 ARG 36 3HG ARG 36 7.210 29.221 12.984 313 HD2 ARG 36 2HD ARG 36 8.812 28.604 11.507 314 HD3 ARG 36 3HD ARG 36 7.642 28.057 10.306 315 HE ARG 36 HE ARG 36 7.700 30.137 9.350 316 HH11 ARG 36 1HH1 ARG 36 9.145 30.288 12.514 317 HH12 ARG 36 2HH1 ARG 36 9.723 31.909 12.316 318 HH21 ARG 36 1HH2 ARG 36 8.456 32.272 9.077 319 HH22 ARG 36 2HH2 ARG 36 9.330 33.037 10.361 320 H CYS 37 H CYS 37 3.421 27.050 13.522 321 HA CYS 37 HA CYS 37 1.880 29.561 13.506 322 HB2 CYS 37 2HB CYS 37 0.677 27.289 13.228 323 HB3 CYS 37 3HB CYS 37 1.016 27.062 14.940 324 HG CYS 37 HG CYS 37 -0.313 29.575 15.562 Start of MODEL 7 1 H MET 1 H MET 1 6.994 -1.289 -0.688 2 HA MET 1 HA MET 1 4.574 -0.008 0.009 3 HB2 MET 1 2HB MET 1 6.922 -0.283 1.259 4 HB3 MET 1 3HB MET 1 7.158 1.333 0.609 5 HG2 MET 1 2HG MET 1 6.258 1.797 2.659 6 HG3 MET 1 3HG MET 1 4.819 1.796 1.642 7 HE1 MET 1 1HE MET 1 5.110 1.766 4.569 8 HE2 MET 1 2HE MET 1 4.013 0.548 5.221 9 HE3 MET 1 3HE MET 1 5.757 0.283 5.274 10 H LYS 2 H LYS 2 3.563 1.073 -1.609 11 HA LYS 2 HA LYS 2 3.119 2.674 -3.166 12 HB2 LYS 2 2HB LYS 2 5.195 4.102 -1.503 13 HB3 LYS 2 3HB LYS 2 4.279 4.887 -2.782 14 HG2 LYS 2 2HG LYS 2 2.568 5.228 -1.421 15 HG3 LYS 2 3HG LYS 2 2.496 3.514 -1.005 16 HD2 LYS 2 2HD LYS 2 4.362 3.921 0.617 17 HD3 LYS 2 3HD LYS 2 4.190 5.647 0.289 18 HE2 LYS 2 2HE LYS 2 2.610 5.732 1.848 19 HE3 LYS 2 3HE LYS 2 1.606 4.699 0.832 20 HZ1 LYS 2 1HZ LYS 2 3.261 3.989 3.145 21 HZ2 LYS 2 2HZ LYS 2 3.051 2.835 1.927 22 HZ3 LYS 2 3HZ LYS 2 1.705 3.467 2.733 23 H PHE 3 H PHE 3 4.286 0.974 -4.563 24 HA PHE 3 HA PHE 3 6.879 1.303 -5.496 25 HB2 PHE 3 2HB PHE 3 4.391 0.124 -6.668 26 HB3 PHE 3 3HB PHE 3 5.816 0.301 -7.686 27 HD1 PHE 3 HD1 PHE 3 5.305 -0.720 -4.133 28 HD2 PHE 3 HD2 PHE 3 6.864 -1.716 -7.966 29 HE1 PHE 3 HE1 PHE 3 6.214 -2.815 -3.215 30 HE2 PHE 3 HE2 PHE 3 7.775 -3.812 -7.055 31 HZ PHE 3 HZ PHE 3 7.450 -4.364 -4.677 32 H LYS 4 H LYS 4 7.412 1.946 -7.827 33 HA LYS 4 HA LYS 4 6.156 4.553 -8.388 34 HB2 LYS 4 2HB LYS 4 8.969 3.765 -9.136 35 HB3 LYS 4 3HB LYS 4 8.260 5.374 -9.149 36 HG2 LYS 4 2HG LYS 4 9.304 5.610 -7.188 37 HG3 LYS 4 3HG LYS 4 7.948 4.682 -6.543 38 HD2 LYS 4 2HD LYS 4 9.316 2.605 -7.020 39 HD3 LYS 4 3HD LYS 4 10.681 3.684 -7.318 40 HE2 LYS 4 2HE LYS 4 9.094 3.475 -4.760 41 HE3 LYS 4 3HE LYS 4 10.718 2.844 -5.031 42 HZ1 LYS 4 1HZ LYS 4 11.051 5.398 -5.702 43 HZ2 LYS 4 2HZ LYS 4 11.311 4.804 -4.141 44 HZ3 LYS 4 3HZ LYS 4 9.850 5.564 -4.523 45 H PHE 5 H PHE 5 7.283 1.528 -9.710 46 HA PHE 5 HA PHE 5 6.723 2.332 -12.442 47 HB2 PHE 5 2HB PHE 5 7.545 -0.360 -11.331 48 HB3 PHE 5 3HB PHE 5 7.468 0.069 -13.036 49 HD1 PHE 5 HD1 PHE 5 9.726 -0.645 -10.693 50 HD2 PHE 5 HD2 PHE 5 8.734 2.604 -13.258 51 HE1 PHE 5 HE1 PHE 5 12.056 0.140 -10.594 52 HE2 PHE 5 HE2 PHE 5 11.063 3.394 -13.163 53 HZ PHE 5 HZ PHE 5 12.727 2.161 -11.831 54 H ASN 6 H ASN 6 5.277 0.428 -9.885 55 HA ASN 6 HA ASN 6 3.391 -1.037 -11.269 56 HB2 ASN 6 2HB ASN 6 3.653 0.007 -8.528 57 HB3 ASN 6 3HB ASN 6 1.998 -0.329 -9.028 58 HD21 ASN 6 1HD2 ASN 6 1.489 -2.169 -8.060 59 HD22 ASN 6 2HD2 ASN 6 2.404 -3.632 -8.141 60 HA PRO 7 HA PRO 7 0.405 1.712 -12.934 61 HB2 PRO 7 2HB PRO 7 -1.928 0.412 -12.445 62 HB3 PRO 7 3HB PRO 7 -0.758 -0.134 -13.652 63 HG2 PRO 7 2HG PRO 7 -1.192 -1.112 -10.856 64 HG3 PRO 7 3HG PRO 7 -0.906 -2.046 -12.336 65 HD2 PRO 7 2HD PRO 7 1.048 -1.545 -10.530 66 HD3 PRO 7 3HD PRO 7 1.371 -1.693 -12.269 67 H THR 8 H THR 8 -0.202 0.610 -9.637 68 HA THR 8 HA THR 8 -2.211 2.413 -8.925 69 HB THR 8 HB THR 8 -1.368 0.427 -7.574 70 HG1 THR 8 HG1 THR 8 -2.792 1.497 -6.396 71 HG21 THR 8 1HG2 THR 8 0.604 2.476 -6.556 72 HG22 THR 8 2HG2 THR 8 1.017 1.105 -7.586 73 HG23 THR 8 3HG2 THR 8 0.390 0.830 -5.960 74 H GLY 9 H GLY 9 1.119 2.943 -9.542 75 HA2 GLY 9 2HA GLY 9 1.780 5.077 -7.918 76 HA3 GLY 9 3HA GLY 9 2.365 4.873 -9.563 77 H THR 10 H THR 10 -0.070 5.134 -10.937 78 HA THR 10 HA THR 10 -0.301 7.989 -10.970 79 HB THR 10 HB THR 10 -1.925 5.937 -12.487 80 HG1 THR 10 HG1 THR 10 -0.329 6.862 -14.172 81 HG21 THR 10 1HG2 THR 10 -3.022 7.628 -13.446 82 HG22 THR 10 2HG2 THR 10 -1.522 8.496 -13.771 83 HG23 THR 10 3HG2 THR 10 -2.329 8.683 -12.215 84 H ILE 11 H ILE 11 -2.580 5.338 -10.285 85 HA ILE 11 HA ILE 11 -4.810 6.860 -9.657 86 HB ILE 11 HB ILE 11 -3.960 4.237 -8.423 87 HG12 ILE 11 2HG1 ILE 11 -6.018 3.752 -10.192 88 HG13 ILE 11 3HG1 ILE 11 -5.092 5.001 -11.016 89 HG21 ILE 11 1HG2 ILE 11 -5.642 5.324 -7.056 90 HG22 ILE 11 2HG2 ILE 11 -6.657 5.584 -8.474 91 HG23 ILE 11 3HG2 ILE 11 -6.346 3.945 -7.901 92 HD11 ILE 11 1HD1 ILE 11 -3.068 3.454 -10.391 93 HD12 ILE 11 2HD1 ILE 11 -4.327 2.221 -10.317 94 HD13 ILE 11 3HD1 ILE 11 -4.068 3.128 -11.806 95 H VAL 12 H VAL 12 -2.385 5.559 -7.385 96 HA VAL 12 HA VAL 12 -3.367 6.690 -5.055 97 HB VAL 12 HB VAL 12 -0.488 6.178 -5.812 98 HG11 VAL 12 1HG1 VAL 12 -0.070 6.154 -3.378 99 HG12 VAL 12 2HG1 VAL 12 -0.570 7.740 -3.969 100 HG13 VAL 12 3HG1 VAL 12 -1.721 6.713 -3.112 101 HG21 VAL 12 1HG2 VAL 12 -2.066 4.464 -3.959 102 HG22 VAL 12 2HG2 VAL 12 -2.343 4.311 -5.694 103 HG23 VAL 12 3HG2 VAL 12 -0.732 4.037 -5.031 104 H LYS 13 H LYS 13 -1.511 8.147 -7.630 105 HA LYS 13 HA LYS 13 -0.855 10.530 -6.173 106 HB2 LYS 13 2HB LYS 13 0.532 10.872 -7.890 107 HB3 LYS 13 3HB LYS 13 -0.035 9.355 -8.574 108 HG2 LYS 13 2HG LYS 13 -1.776 10.556 -9.798 109 HG3 LYS 13 3HG LYS 13 -1.202 12.078 -9.114 110 HD2 LYS 13 2HD LYS 13 0.925 10.534 -10.362 111 HD3 LYS 13 3HD LYS 13 -0.372 10.940 -11.489 112 HE2 LYS 13 2HE LYS 13 -0.136 13.269 -11.035 113 HE3 LYS 13 3HE LYS 13 0.954 12.956 -9.686 114 HZ1 LYS 13 1HZ LYS 13 2.295 13.616 -11.481 115 HZ2 LYS 13 2HZ LYS 13 1.493 12.607 -12.576 116 HZ3 LYS 13 3HZ LYS 13 2.486 11.937 -11.381 117 H LYS 14 H LYS 14 -3.418 9.508 -8.335 118 HA LYS 14 HA LYS 14 -4.538 12.135 -8.638 119 HB2 LYS 14 2HB LYS 14 -5.644 9.393 -9.261 120 HB3 LYS 14 3HB LYS 14 -6.459 10.900 -9.659 121 HG2 LYS 14 2HG LYS 14 -3.809 9.946 -10.720 122 HG3 LYS 14 3HG LYS 14 -5.332 10.065 -11.606 123 HD2 LYS 14 2HD LYS 14 -5.310 12.512 -11.229 124 HD3 LYS 14 3HD LYS 14 -3.732 12.350 -10.453 125 HE2 LYS 14 2HE LYS 14 -2.694 11.704 -12.455 126 HE3 LYS 14 3HE LYS 14 -4.232 11.345 -13.237 127 HZ1 LYS 14 1HZ LYS 14 -4.725 13.628 -13.425 128 HZ2 LYS 14 2HZ LYS 14 -3.122 13.464 -13.938 129 HZ3 LYS 14 3HZ LYS 14 -3.458 14.080 -12.398 130 H LEU 15 H LEU 15 -5.449 9.214 -6.823 131 HA LEU 15 HA LEU 15 -7.753 10.203 -5.615 132 HB2 LEU 15 2HB LEU 15 -5.767 8.096 -4.902 133 HB3 LEU 15 3HB LEU 15 -6.995 8.551 -3.722 134 HG LEU 15 HG LEU 15 -7.453 6.525 -5.215 135 HD11 LEU 15 1HD1 LEU 15 -9.751 6.882 -5.084 136 HD12 LEU 15 2HD1 LEU 15 -9.595 8.617 -5.357 137 HD13 LEU 15 3HD1 LEU 15 -9.094 7.918 -3.817 138 HD21 LEU 15 1HD2 LEU 15 -8.054 8.720 -7.194 139 HD22 LEU 15 2HD2 LEU 15 -8.410 7.005 -7.398 140 HD23 LEU 15 3HD2 LEU 15 -6.735 7.556 -7.320 141 H THR 16 H THR 16 -4.384 10.680 -4.813 142 HA THR 16 HA THR 16 -4.857 11.810 -2.228 143 HB THR 16 HB THR 16 -2.424 11.998 -4.015 144 HG1 THR 16 HG1 THR 16 -1.746 10.213 -2.980 145 HG21 THR 16 1HG2 THR 16 -1.750 13.578 -2.578 146 HG22 THR 16 2HG2 THR 16 -1.609 12.280 -1.392 147 HG23 THR 16 3HG2 THR 16 -3.080 13.249 -1.468 148 H GLN 17 H GLN 17 -4.714 13.035 -5.486 149 HA GLN 17 HA GLN 17 -4.220 15.729 -5.040 150 HB2 GLN 17 2HB GLN 17 -4.632 14.332 -7.246 151 HB3 GLN 17 3HB GLN 17 -6.270 14.944 -7.064 152 HG2 GLN 17 2HG GLN 17 -5.702 17.016 -7.683 153 HG3 GLN 17 3HG GLN 17 -4.185 16.977 -6.786 154 HE21 GLN 17 1HE2 GLN 17 -5.446 14.958 -9.411 155 HE22 GLN 17 2HE2 GLN 17 -4.129 15.239 -10.493 156 H TYR 18 H TYR 18 -7.043 13.848 -4.353 157 HA TYR 18 HA TYR 18 -8.662 16.236 -3.883 158 HB2 TYR 18 2HB TYR 18 -9.386 13.302 -3.739 159 HB3 TYR 18 3HB TYR 18 -10.511 14.635 -3.504 160 HD1 TYR 18 HD1 TYR 18 -8.186 13.157 -6.008 161 HD2 TYR 18 HD2 TYR 18 -11.628 15.566 -5.332 162 HE1 TYR 18 HE1 TYR 18 -8.616 13.212 -8.429 163 HE2 TYR 18 HE2 TYR 18 -12.067 15.627 -7.751 164 HH TYR 18 HH TYR 18 -11.039 13.639 -9.858 165 H GLU 19 H GLU 19 -6.939 13.738 -2.188 166 HA GLU 19 HA GLU 19 -8.173 14.153 0.353 167 HB2 GLU 19 2HB GLU 19 -5.517 12.889 -0.349 168 HB3 GLU 19 3HB GLU 19 -6.286 12.816 1.230 169 HG2 GLU 19 2HG GLU 19 -7.612 11.781 -1.254 170 HG3 GLU 19 3HG GLU 19 -6.540 10.792 -0.264 171 H ILE 20 H ILE 20 -5.316 15.421 -1.266 172 HA ILE 20 HA ILE 20 -4.035 16.668 0.846 173 HB ILE 20 HB ILE 20 -4.292 17.703 -1.981 174 HG12 ILE 20 2HG1 ILE 20 -1.835 16.334 -1.069 175 HG13 ILE 20 3HG1 ILE 20 -3.255 15.307 -1.239 176 HG21 ILE 20 1HG2 ILE 20 -3.019 18.794 0.342 177 HG22 ILE 20 2HG2 ILE 20 -1.804 18.373 -0.864 178 HG23 ILE 20 3HG2 ILE 20 -3.127 19.460 -1.287 179 HD11 ILE 20 1HD1 ILE 20 -1.534 16.426 -3.261 180 HD12 ILE 20 2HD1 ILE 20 -2.743 15.148 -3.386 181 HD13 ILE 20 3HD1 ILE 20 -3.224 16.836 -3.551 182 H ALA 21 H ALA 21 -6.903 17.643 -0.907 183 HA ALA 21 HA ALA 21 -7.108 20.313 -0.254 184 HB1 ALA 21 1HB ALA 21 -9.692 19.146 0.019 185 HB2 ALA 21 2HB ALA 21 -9.028 20.063 -1.334 186 HB3 ALA 21 3HB ALA 21 -8.826 18.312 -1.272 187 H TRP 22 H TRP 22 -8.093 17.509 1.687 188 HA TRP 22 HA TRP 22 -9.306 18.796 3.805 189 HB2 TRP 22 2HB TRP 22 -9.301 16.373 3.604 190 HB3 TRP 22 3HB TRP 22 -7.559 16.327 3.860 191 HD1 TRP 22 HD1 TRP 22 -6.679 16.817 6.372 192 HE1 TRP 22 HE1 TRP 22 -7.848 16.556 8.650 193 HE3 TRP 22 HE3 TRP 22 -11.527 16.563 4.771 194 HZ2 TRP 22 HZ2 TRP 22 -10.477 16.279 9.637 195 HZ3 TRP 22 HZ3 TRP 22 -13.310 16.299 6.446 196 HH2 TRP 22 HH2 TRP 22 -12.794 16.160 8.829 197 H PHE 23 H PHE 23 -5.855 18.155 3.308 198 HA PHE 23 HA PHE 23 -5.079 19.379 5.782 199 HB2 PHE 23 2HB PHE 23 -3.570 17.749 5.050 200 HB3 PHE 23 3HB PHE 23 -3.599 18.331 3.389 201 HD1 PHE 23 HD1 PHE 23 -2.053 19.930 2.633 202 HD2 PHE 23 HD2 PHE 23 -2.378 19.091 6.793 203 HE1 PHE 23 HE1 PHE 23 -0.007 21.231 3.051 204 HE2 PHE 23 HE2 PHE 23 -0.333 20.391 7.218 205 HZ PHE 23 HZ PHE 23 0.855 21.464 5.347 206 H LYS 24 H LYS 24 -5.515 20.427 2.491 207 HA LYS 24 HA LYS 24 -4.017 22.800 2.555 208 HB2 LYS 24 2HB LYS 24 -4.887 21.830 0.480 209 HB3 LYS 24 3HB LYS 24 -6.532 22.172 0.998 210 HG2 LYS 24 2HG LYS 24 -6.205 23.966 -0.344 211 HG3 LYS 24 3HG LYS 24 -5.567 24.636 1.160 212 HD2 LYS 24 2HD LYS 24 -3.297 23.770 0.392 213 HD3 LYS 24 3HD LYS 24 -4.047 23.529 -1.187 214 HE2 LYS 24 2HE LYS 24 -4.082 26.160 0.275 215 HE3 LYS 24 3HE LYS 24 -2.821 25.711 -0.871 216 HZ1 LYS 24 1HZ LYS 24 -4.224 26.750 -2.285 217 HZ2 LYS 24 2HZ LYS 24 -5.602 26.432 -1.358 218 HZ3 LYS 24 3HZ LYS 24 -4.951 25.223 -2.346 219 H ASN 25 H ASN 25 -7.170 22.005 3.807 220 HA ASN 25 HA ASN 25 -7.962 24.737 4.237 221 HB2 ASN 25 2HB ASN 25 -9.108 22.088 5.118 222 HB3 ASN 25 3HB ASN 25 -9.802 23.630 5.611 223 HD21 ASN 25 1HD2 ASN 25 -9.735 21.240 3.258 224 HD22 ASN 25 2HD2 ASN 25 -10.643 22.058 2.037 225 H LYS 26 H LYS 26 -5.877 22.610 5.790 226 HA LYS 26 HA LYS 26 -6.288 23.754 8.444 227 HB2 LYS 26 2HB LYS 26 -4.185 21.742 7.660 228 HB3 LYS 26 3HB LYS 26 -4.831 22.067 9.263 229 HG2 LYS 26 2HG LYS 26 -6.411 20.880 6.992 230 HG3 LYS 26 3HG LYS 26 -5.641 19.952 8.281 231 HD2 LYS 26 2HD LYS 26 -7.025 21.016 9.941 232 HD3 LYS 26 3HD LYS 26 -7.710 22.101 8.729 233 HE2 LYS 26 2HE LYS 26 -8.230 19.672 7.628 234 HE3 LYS 26 3HE LYS 26 -8.353 19.302 9.347 235 HZ1 LYS 26 1HZ LYS 26 -10.124 20.709 9.617 236 HZ2 LYS 26 2HZ LYS 26 -10.416 20.147 8.049 237 HZ3 LYS 26 3HZ LYS 26 -9.726 21.673 8.285 238 H HIS 27 H HIS 27 -4.060 23.862 5.758 239 HA HIS 27 HA HIS 27 -2.669 26.085 7.060 240 HB2 HIS 27 2HB HIS 27 -1.224 23.823 5.664 241 HB3 HIS 27 3HB HIS 27 -0.482 25.241 6.400 242 HD1 HIS 27 HD1 HIS 27 -2.298 22.069 7.332 243 HD2 HIS 27 HD2 HIS 27 -0.007 25.048 9.103 244 HE1 HIS 27 HE1 HIS 27 -1.824 21.256 9.664 245 H GLY 28 H GLY 28 -3.074 24.208 4.068 246 HA2 GLY 28 2HA GLY 28 -3.824 25.196 2.035 247 HA3 GLY 28 3HA GLY 28 -3.215 26.745 2.597 248 H TYR 29 H TYR 29 -1.302 23.847 2.864 249 HA TYR 29 HA TYR 29 0.365 24.772 0.618 250 HB2 TYR 29 2HB TYR 29 1.191 23.915 3.380 251 HB3 TYR 29 3HB TYR 29 2.307 23.810 2.023 252 HD1 TYR 29 HD1 TYR 29 0.037 26.260 3.696 253 HD2 TYR 29 HD2 TYR 29 3.655 25.630 1.548 254 HE1 TYR 29 HE1 TYR 29 0.626 28.628 4.006 255 HE2 TYR 29 HE2 TYR 29 4.255 27.996 1.852 256 HH TYR 29 HH TYR 29 3.107 30.144 2.282 257 H TYR 30 H TYR 30 2.187 22.820 0.436 258 HA TYR 30 HA TYR 30 0.835 20.240 0.455 259 HB2 TYR 30 2HB TYR 30 2.119 21.104 -2.113 260 HB3 TYR 30 3HB TYR 30 0.926 19.840 -1.838 261 HD1 TYR 30 HD1 TYR 30 1.409 23.495 -2.085 262 HD2 TYR 30 HD2 TYR 30 -1.404 20.306 -1.939 263 HE1 TYR 30 HE1 TYR 30 -0.379 25.050 -2.745 264 HE2 TYR 30 HE2 TYR 30 -3.199 21.852 -2.599 265 HH TYR 30 HH TYR 30 -2.739 24.726 -3.973 266 HA PRO 31 HA PRO 31 5.529 19.627 -0.516 267 HB2 PRO 31 2HB PRO 31 7.059 21.860 -0.723 268 HB3 PRO 31 3HB PRO 31 6.234 21.129 -2.105 269 HG2 PRO 31 2HG PRO 31 5.417 23.477 -0.437 270 HG3 PRO 31 3HG PRO 31 5.352 23.279 -2.198 271 HD2 PRO 31 2HD PRO 31 3.174 22.979 -0.618 272 HD3 PRO 31 3HD PRO 31 3.402 22.054 -2.115 273 H TRP 32 H TRP 32 7.756 20.584 0.628 274 HA TRP 32 HA TRP 32 7.129 20.429 3.442 275 HB2 TRP 32 2HB TRP 32 9.388 19.956 3.787 276 HB3 TRP 32 3HB TRP 32 9.091 19.285 2.186 277 HD1 TRP 32 HD1 TRP 32 11.126 21.907 3.988 278 HE1 TRP 32 HE1 TRP 32 12.737 23.028 2.324 279 HE3 TRP 32 HE3 TRP 32 9.266 19.978 -0.366 280 HZ2 TRP 32 HZ2 TRP 32 13.163 23.088 -0.466 281 HZ3 TRP 32 HZ3 TRP 32 10.332 20.618 -2.489 282 HH2 TRP 32 HH2 TRP 32 12.239 22.141 -2.536 283 H GLU 33 H GLU 33 7.024 22.915 1.394 284 HA GLU 33 HA GLU 33 8.457 24.873 2.984 285 HB2 GLU 33 2HB GLU 33 6.611 25.419 0.663 286 HB3 GLU 33 3HB GLU 33 7.886 26.453 1.293 287 HG2 GLU 33 2HG GLU 33 9.577 24.957 0.487 288 HG3 GLU 33 3HG GLU 33 8.360 23.778 0.001 289 H ILE 34 H ILE 34 6.605 23.670 4.562 290 HA ILE 34 HA ILE 34 4.262 25.416 4.651 291 HB ILE 34 HB ILE 34 4.924 22.999 6.337 292 HG12 ILE 34 2HG1 ILE 34 2.716 23.046 4.334 293 HG13 ILE 34 3HG1 ILE 34 4.363 22.875 3.737 294 HG21 ILE 34 1HG2 ILE 34 2.640 23.109 7.110 295 HG22 ILE 34 2HG2 ILE 34 3.448 24.641 7.441 296 HG23 ILE 34 3HG2 ILE 34 2.328 24.510 6.085 297 HD11 ILE 34 1HD1 ILE 34 3.262 21.098 5.883 298 HD12 ILE 34 2HD1 ILE 34 3.052 20.750 4.167 299 HD13 ILE 34 3HD1 ILE 34 4.672 20.845 4.856 300 HA PRO 35 HA PRO 35 6.111 27.981 7.744 301 HB2 PRO 35 2HB PRO 35 3.849 29.257 8.536 302 HB3 PRO 35 3HB PRO 35 4.672 29.617 7.014 303 HG2 PRO 35 2HG PRO 35 2.266 27.905 7.507 304 HG3 PRO 35 3HG PRO 35 2.555 29.083 6.213 305 HD2 PRO 35 2HD PRO 35 2.834 26.415 5.844 306 HD3 PRO 35 3HD PRO 35 3.829 27.607 4.983 307 H ARG 36 H ARG 36 5.159 28.771 10.072 308 HA ARG 36 HA ARG 36 4.551 26.278 11.521 309 HB2 ARG 36 2HB ARG 36 5.651 27.482 13.480 310 HB3 ARG 36 3HB ARG 36 6.711 26.955 12.180 311 HG2 ARG 36 2HG ARG 36 5.633 29.707 12.015 312 HG3 ARG 36 3HG ARG 36 6.852 29.379 13.248 313 HD2 ARG 36 2HD ARG 36 8.498 29.143 11.734 314 HD3 ARG 36 3HD ARG 36 7.463 28.276 10.600 315 HE ARG 36 HE ARG 36 6.787 31.035 10.727 316 HH11 ARG 36 1HH1 ARG 36 9.102 28.796 9.405 317 HH12 ARG 36 2HH1 ARG 36 9.501 29.804 8.054 318 HH21 ARG 36 1HH2 ARG 36 7.303 32.371 8.951 319 HH22 ARG 36 2HH2 ARG 36 8.477 31.838 7.797 320 H CYS 37 H CYS 37 3.303 26.506 13.507 321 HA CYS 37 HA CYS 37 1.286 28.627 13.242 322 HB2 CYS 37 2HB CYS 37 0.366 26.391 13.065 323 HB3 CYS 37 3HB CYS 37 1.140 25.915 14.571 324 HG CYS 37 HG CYS 37 -0.413 27.939 16.002 Start of MODEL 8 1 H MET 1 H MET 1 7.833 -0.256 0.296 2 HA MET 1 HA MET 1 5.029 -0.168 -0.212 3 HB2 MET 1 2HB MET 1 6.731 1.676 1.474 4 HB3 MET 1 3HB MET 1 4.977 1.561 1.525 5 HG2 MET 1 2HG MET 1 6.831 -0.718 2.167 6 HG3 MET 1 3HG MET 1 6.153 0.379 3.368 7 HE1 MET 1 1HE MET 1 3.043 0.052 3.978 8 HE2 MET 1 2HE MET 1 3.532 -1.513 4.627 9 HE3 MET 1 3HE MET 1 4.652 -0.151 4.672 10 H LYS 2 H LYS 2 3.861 1.201 -1.424 11 HA LYS 2 HA LYS 2 3.354 2.785 -2.976 12 HB2 LYS 2 2HB LYS 2 5.542 4.367 -1.613 13 HB3 LYS 2 3HB LYS 2 4.271 5.020 -2.639 14 HG2 LYS 2 2HG LYS 2 2.630 4.690 -1.038 15 HG3 LYS 2 3HG LYS 2 3.583 3.487 -0.166 16 HD2 LYS 2 2HD LYS 2 4.972 6.010 -0.266 17 HD3 LYS 2 3HD LYS 2 3.353 6.216 0.408 18 HE2 LYS 2 2HE LYS 2 5.172 4.020 1.342 19 HE3 LYS 2 3HE LYS 2 5.279 5.647 2.012 20 HZ1 LYS 2 1HZ LYS 2 2.597 4.618 1.925 21 HZ2 LYS 2 2HZ LYS 2 3.432 5.349 3.201 22 HZ3 LYS 2 3HZ LYS 2 3.629 3.696 2.898 23 H PHE 3 H PHE 3 4.392 1.145 -4.449 24 HA PHE 3 HA PHE 3 6.994 1.414 -5.431 25 HB2 PHE 3 2HB PHE 3 4.462 0.250 -6.531 26 HB3 PHE 3 3HB PHE 3 5.875 0.388 -7.573 27 HD1 PHE 3 HD1 PHE 3 7.010 -1.581 -7.802 28 HD2 PHE 3 HD2 PHE 3 5.277 -0.638 -4.031 29 HE1 PHE 3 HE1 PHE 3 7.902 -3.677 -6.872 30 HE2 PHE 3 HE2 PHE 3 6.166 -2.732 -3.094 31 HZ PHE 3 HZ PHE 3 7.482 -4.254 -4.515 32 H LYS 4 H LYS 4 7.517 2.068 -7.732 33 HA LYS 4 HA LYS 4 6.218 4.645 -8.327 34 HB2 LYS 4 2HB LYS 4 9.058 3.872 -9.001 35 HB3 LYS 4 3HB LYS 4 8.326 5.465 -9.138 36 HG2 LYS 4 2HG LYS 4 9.322 5.837 -7.171 37 HG3 LYS 4 3HG LYS 4 7.946 4.953 -6.506 38 HD2 LYS 4 2HD LYS 4 9.210 2.905 -6.481 39 HD3 LYS 4 3HD LYS 4 10.556 3.677 -7.321 40 HE2 LYS 4 2HE LYS 4 10.915 5.150 -5.413 41 HE3 LYS 4 3HE LYS 4 9.542 4.425 -4.579 42 HZ1 LYS 4 1HZ LYS 4 11.071 3.083 -3.696 43 HZ2 LYS 4 2HZ LYS 4 12.238 3.456 -4.862 44 HZ3 LYS 4 3HZ LYS 4 11.064 2.282 -5.186 45 H PHE 5 H PHE 5 7.314 1.598 -9.582 46 HA PHE 5 HA PHE 5 6.788 2.370 -12.337 47 HB2 PHE 5 2HB PHE 5 7.698 -0.250 -11.129 48 HB3 PHE 5 3HB PHE 5 7.495 0.036 -12.855 49 HD1 PHE 5 HD1 PHE 5 9.690 0.291 -10.055 50 HD2 PHE 5 HD2 PHE 5 8.897 1.862 -13.931 51 HE1 PHE 5 HE1 PHE 5 11.995 1.144 -10.178 52 HE2 PHE 5 HE2 PHE 5 11.200 2.717 -14.060 53 HZ PHE 5 HZ PHE 5 12.753 2.358 -12.182 54 H ASN 6 H ASN 6 5.354 0.478 -9.762 55 HA ASN 6 HA ASN 6 3.485 -1.017 -11.134 56 HB2 ASN 6 2HB ASN 6 3.735 0.054 -8.403 57 HB3 ASN 6 3HB ASN 6 2.082 -0.292 -8.902 58 HD21 ASN 6 1HD2 ASN 6 5.280 -1.799 -9.248 59 HD22 ASN 6 2HD2 ASN 6 4.765 -3.386 -8.801 60 HA PRO 7 HA PRO 7 0.477 1.687 -12.834 61 HB2 PRO 7 2HB PRO 7 -1.845 0.370 -12.337 62 HB3 PRO 7 3HB PRO 7 -0.667 -0.178 -13.536 63 HG2 PRO 7 2HG PRO 7 -1.098 -1.130 -10.731 64 HG3 PRO 7 3HG PRO 7 -0.800 -2.077 -12.200 65 HD2 PRO 7 2HD PRO 7 1.145 -1.539 -10.395 66 HD3 PRO 7 3HD PRO 7 1.473 -1.702 -12.132 67 H THR 8 H THR 8 -0.127 0.613 -9.527 68 HA THR 8 HA THR 8 -2.155 2.405 -8.838 69 HB THR 8 HB THR 8 -1.296 0.440 -7.465 70 HG1 THR 8 HG1 THR 8 -1.982 1.452 -5.558 71 HG21 THR 8 1HG2 THR 8 1.083 1.141 -7.479 72 HG22 THR 8 2HG2 THR 8 0.455 0.876 -5.852 73 HG23 THR 8 3HG2 THR 8 0.653 2.518 -6.464 74 H GLY 9 H GLY 9 1.172 2.959 -9.453 75 HA2 GLY 9 2HA GLY 9 1.810 5.115 -7.850 76 HA3 GLY 9 3HA GLY 9 2.400 4.900 -9.491 77 H THR 10 H THR 10 -0.034 5.124 -10.873 78 HA THR 10 HA THR 10 -0.290 7.977 -10.937 79 HB THR 10 HB THR 10 -1.893 5.895 -12.435 80 HG1 THR 10 HG1 THR 10 0.036 5.625 -13.315 81 HG21 THR 10 1HG2 THR 10 -3.002 7.566 -13.415 82 HG22 THR 10 2HG2 THR 10 -1.508 8.444 -13.746 83 HG23 THR 10 3HG2 THR 10 -2.321 8.640 -12.193 84 H ILE 11 H ILE 11 -2.547 5.312 -10.228 85 HA ILE 11 HA ILE 11 -4.792 6.820 -9.622 86 HB ILE 11 HB ILE 11 -3.921 4.218 -8.359 87 HG12 ILE 11 2HG1 ILE 11 -5.970 3.695 -10.127 88 HG13 ILE 11 3HG1 ILE 11 -5.054 4.945 -10.962 89 HG21 ILE 11 1HG2 ILE 11 -6.304 3.909 -7.838 90 HG22 ILE 11 2HG2 ILE 11 -5.616 5.304 -7.008 91 HG23 ILE 11 3HG2 ILE 11 -6.632 5.538 -8.430 92 HD11 ILE 11 1HD1 ILE 11 -4.014 3.070 -11.730 93 HD12 ILE 11 2HD1 ILE 11 -3.018 3.423 -10.317 94 HD13 ILE 11 3HD1 ILE 11 -4.265 2.179 -10.228 95 H VAL 12 H VAL 12 -2.361 5.565 -7.331 96 HA VAL 12 HA VAL 12 -3.358 6.711 -5.015 97 HB VAL 12 HB VAL 12 -0.473 6.217 -5.760 98 HG11 VAL 12 1HG1 VAL 12 -0.060 6.222 -3.325 99 HG12 VAL 12 2HG1 VAL 12 -0.574 7.797 -3.933 100 HG13 VAL 12 3HG1 VAL 12 -1.717 6.768 -3.069 101 HG21 VAL 12 1HG2 VAL 12 -0.732 4.072 -5.102 102 HG22 VAL 12 2HG2 VAL 12 -1.900 4.483 -3.847 103 HG23 VAL 12 3HG2 VAL 12 -2.416 4.370 -5.529 104 H LYS 13 H LYS 13 -1.510 8.158 -7.601 105 HA LYS 13 HA LYS 13 -0.879 10.562 -6.167 106 HB2 LYS 13 2HB LYS 13 0.509 10.899 -7.884 107 HB3 LYS 13 3HB LYS 13 -0.042 9.369 -8.554 108 HG2 LYS 13 2HG LYS 13 -1.791 10.542 -9.794 109 HG3 LYS 13 3HG LYS 13 -1.233 12.077 -9.124 110 HD2 LYS 13 2HD LYS 13 0.830 10.431 -10.437 111 HD3 LYS 13 3HD LYS 13 -0.421 11.078 -11.501 112 HE2 LYS 13 2HE LYS 13 1.102 12.771 -9.533 113 HE3 LYS 13 3HE LYS 13 1.634 12.517 -11.194 114 HZ1 LYS 13 1HZ LYS 13 -0.225 13.623 -12.032 115 HZ2 LYS 13 2HZ LYS 13 0.254 14.573 -10.717 116 HZ3 LYS 13 3HZ LYS 13 -1.071 13.533 -10.570 117 H LYS 14 H LYS 14 -3.427 9.494 -8.325 118 HA LYS 14 HA LYS 14 -4.570 12.108 -8.658 119 HB2 LYS 14 2HB LYS 14 -5.650 9.349 -9.254 120 HB3 LYS 14 3HB LYS 14 -6.478 10.843 -9.670 121 HG2 LYS 14 2HG LYS 14 -3.817 9.904 -10.715 122 HG3 LYS 14 3HG LYS 14 -5.339 9.998 -11.605 123 HD2 LYS 14 2HD LYS 14 -5.341 12.450 -11.254 124 HD3 LYS 14 3HD LYS 14 -3.764 12.312 -10.473 125 HE2 LYS 14 2HE LYS 14 -2.885 11.303 -12.569 126 HE3 LYS 14 3HE LYS 14 -4.445 11.616 -13.328 127 HZ1 LYS 14 1HZ LYS 14 -2.288 13.349 -13.110 128 HZ2 LYS 14 2HZ LYS 14 -3.498 13.973 -12.108 129 HZ3 LYS 14 3HZ LYS 14 -3.821 13.684 -13.743 130 H LEU 15 H LEU 15 -5.460 9.198 -6.814 131 HA LEU 15 HA LEU 15 -7.775 10.179 -5.621 132 HB2 LEU 15 2HB LEU 15 -5.771 8.099 -4.880 133 HB3 LEU 15 3HB LEU 15 -7.005 8.555 -3.708 134 HG LEU 15 HG LEU 15 -7.439 6.508 -5.180 135 HD11 LEU 15 1HD1 LEU 15 -9.090 8.175 -3.885 136 HD12 LEU 15 2HD1 LEU 15 -9.647 6.768 -4.790 137 HD13 LEU 15 3HD1 LEU 15 -9.703 8.369 -5.527 138 HD21 LEU 15 1HD2 LEU 15 -8.397 6.955 -7.369 139 HD22 LEU 15 2HD2 LEU 15 -6.729 7.525 -7.296 140 HD23 LEU 15 3HD2 LEU 15 -8.061 8.676 -7.183 141 H THR 16 H THR 16 -4.413 10.696 -4.816 142 HA THR 16 HA THR 16 -4.900 11.849 -2.245 143 HB THR 16 HB THR 16 -2.470 12.049 -4.035 144 HG1 THR 16 HG1 THR 16 -1.947 10.172 -3.206 145 HG21 THR 16 1HG2 THR 16 -1.828 13.660 -2.615 146 HG22 THR 16 2HG2 THR 16 -1.647 12.371 -1.425 147 HG23 THR 16 3HG2 THR 16 -3.140 13.308 -1.491 148 H GLN 17 H GLN 17 -4.773 13.044 -5.516 149 HA GLN 17 HA GLN 17 -4.313 15.748 -5.096 150 HB2 GLN 17 2HB GLN 17 -4.675 14.352 -7.292 151 HB3 GLN 17 3HB GLN 17 -6.344 14.875 -7.112 152 HG2 GLN 17 2HG GLN 17 -5.887 16.911 -7.864 153 HG3 GLN 17 3HG GLN 17 -4.490 17.073 -6.801 154 HE21 GLN 17 1HE2 GLN 17 -5.610 16.101 -9.940 155 HE22 GLN 17 2HE2 GLN 17 -4.057 16.007 -10.691 156 H TYR 18 H TYR 18 -7.112 13.838 -4.391 157 HA TYR 18 HA TYR 18 -8.761 16.210 -3.944 158 HB2 TYR 18 2HB TYR 18 -9.447 13.268 -3.772 159 HB3 TYR 18 3HB TYR 18 -10.589 14.588 -3.547 160 HD1 TYR 18 HD1 TYR 18 -8.246 13.123 -6.041 161 HD2 TYR 18 HD2 TYR 18 -11.723 15.486 -5.381 162 HE1 TYR 18 HE1 TYR 18 -8.679 13.151 -8.462 163 HE2 TYR 18 HE2 TYR 18 -12.166 15.519 -7.800 164 HH TYR 18 HH TYR 18 -11.558 13.973 -9.805 165 H GLU 19 H GLU 19 -7.007 13.751 -2.224 166 HA GLU 19 HA GLU 19 -8.246 14.176 0.313 167 HB2 GLU 19 2HB GLU 19 -5.575 12.937 -0.378 168 HB3 GLU 19 3HB GLU 19 -6.342 12.872 1.203 169 HG2 GLU 19 2HG GLU 19 -7.647 11.790 -1.273 170 HG3 GLU 19 3HG GLU 19 -6.576 10.827 -0.257 171 H ILE 20 H ILE 20 -5.404 15.462 -1.319 172 HA ILE 20 HA ILE 20 -4.139 16.746 0.780 173 HB ILE 20 HB ILE 20 -4.406 17.748 -2.058 174 HG12 ILE 20 2HG1 ILE 20 -1.934 16.418 -1.129 175 HG13 ILE 20 3HG1 ILE 20 -3.341 15.373 -1.290 176 HG21 ILE 20 1HG2 ILE 20 -3.267 19.527 -1.380 177 HG22 ILE 20 2HG2 ILE 20 -3.147 18.878 0.254 178 HG23 ILE 20 3HG2 ILE 20 -1.928 18.463 -0.950 179 HD11 ILE 20 1HD1 ILE 20 -3.323 16.880 -3.618 180 HD12 ILE 20 2HD1 ILE 20 -1.630 16.485 -3.321 181 HD13 ILE 20 3HD1 ILE 20 -2.830 15.197 -3.435 182 H ALA 21 H ALA 21 -7.017 17.668 -0.984 183 HA ALA 21 HA ALA 21 -7.255 20.342 -0.359 184 HB1 ALA 21 1HB ALA 21 -9.277 18.174 -0.756 185 HB2 ALA 21 2HB ALA 21 -9.788 19.803 -0.313 186 HB3 ALA 21 3HB ALA 21 -8.879 19.538 -1.801 187 H TRP 22 H TRP 22 -8.207 17.547 1.611 188 HA TRP 22 HA TRP 22 -9.436 18.843 3.715 189 HB2 TRP 22 2HB TRP 22 -9.426 16.429 3.568 190 HB3 TRP 22 3HB TRP 22 -7.676 16.384 3.763 191 HD1 TRP 22 HD1 TRP 22 -6.712 16.944 6.242 192 HE1 TRP 22 HE1 TRP 22 -7.799 16.682 8.560 193 HE3 TRP 22 HE3 TRP 22 -11.604 16.559 4.806 194 HZ2 TRP 22 HZ2 TRP 22 -10.387 16.356 9.638 195 HZ3 TRP 22 HZ3 TRP 22 -13.323 16.274 6.542 196 HH2 TRP 22 HH2 TRP 22 -12.726 16.174 8.908 197 H PHE 23 H PHE 23 -5.978 18.237 3.226 198 HA PHE 23 HA PHE 23 -5.218 19.496 5.687 199 HB2 PHE 23 2HB PHE 23 -3.688 17.876 4.973 200 HB3 PHE 23 3HB PHE 23 -3.724 18.441 3.305 201 HD1 PHE 23 HD1 PHE 23 -2.514 19.251 6.701 202 HD2 PHE 23 HD2 PHE 23 -2.197 20.051 2.533 203 HE1 PHE 23 HE1 PHE 23 -0.485 20.580 7.114 204 HE2 PHE 23 HE2 PHE 23 -0.167 21.381 2.939 205 HZ PHE 23 HZ PHE 23 0.692 21.646 5.232 206 H LYS 24 H LYS 24 -5.664 20.504 2.385 207 HA LYS 24 HA LYS 24 -4.194 22.895 2.425 208 HB2 LYS 24 2HB LYS 24 -5.052 21.893 0.359 209 HB3 LYS 24 3HB LYS 24 -6.701 22.221 0.873 210 HG2 LYS 24 2HG LYS 24 -6.395 24.004 -0.487 211 HG3 LYS 24 3HG LYS 24 -5.766 24.698 1.009 212 HD2 LYS 24 2HD LYS 24 -3.485 23.851 0.252 213 HD3 LYS 24 3HD LYS 24 -4.230 23.584 -1.325 214 HE2 LYS 24 2HE LYS 24 -4.298 26.230 0.110 215 HE3 LYS 24 3HE LYS 24 -3.031 25.784 -1.032 216 HZ1 LYS 24 1HZ LYS 24 -5.873 25.631 -1.806 217 HZ2 LYS 24 2HZ LYS 24 -4.509 25.779 -2.795 218 HZ3 LYS 24 3HZ LYS 24 -5.040 27.101 -1.883 219 H ASN 25 H ASN 25 -7.338 22.076 3.684 220 HA ASN 25 HA ASN 25 -8.163 24.803 4.085 221 HB2 ASN 25 2HB ASN 25 -9.286 22.187 5.106 222 HB3 ASN 25 3HB ASN 25 -10.032 23.758 5.383 223 HD21 ASN 25 1HD2 ASN 25 -10.129 21.093 3.505 224 HD22 ASN 25 2HD2 ASN 25 -10.860 21.754 2.085 225 H LYS 26 H LYS 26 -6.054 22.717 5.661 226 HA LYS 26 HA LYS 26 -6.480 23.884 8.302 227 HB2 LYS 26 2HB LYS 26 -4.353 21.889 7.540 228 HB3 LYS 26 3HB LYS 26 -5.003 22.223 9.140 229 HG2 LYS 26 2HG LYS 26 -6.569 20.994 6.881 230 HG3 LYS 26 3HG LYS 26 -5.788 20.088 8.179 231 HD2 LYS 26 2HD LYS 26 -7.194 21.105 9.827 232 HD3 LYS 26 3HD LYS 26 -7.853 22.236 8.642 233 HE2 LYS 26 2HE LYS 26 -8.605 20.095 7.390 234 HE3 LYS 26 3HE LYS 26 -8.356 19.299 8.943 235 HZ1 LYS 26 1HZ LYS 26 -9.802 21.399 9.692 236 HZ2 LYS 26 2HZ LYS 26 -10.481 19.912 9.259 237 HZ3 LYS 26 3HZ LYS 26 -10.419 21.173 8.133 238 H HIS 27 H HIS 27 -4.252 23.990 5.617 239 HA HIS 27 HA HIS 27 -2.887 26.242 6.895 240 HB2 HIS 27 2HB HIS 27 -1.416 23.983 5.524 241 HB3 HIS 27 3HB HIS 27 -0.690 25.417 6.244 242 HD1 HIS 27 HD1 HIS 27 -2.469 22.234 7.209 243 HD2 HIS 27 HD2 HIS 27 -0.214 25.259 8.950 244 HE1 HIS 27 HE1 HIS 27 -1.987 21.451 9.550 245 H GLY 28 H GLY 28 -3.269 24.330 3.923 246 HA2 GLY 28 2HA GLY 28 -4.030 25.287 1.879 247 HA3 GLY 28 3HA GLY 28 -3.439 26.849 2.426 248 H TYR 29 H TYR 29 -1.492 23.977 2.723 249 HA TYR 29 HA TYR 29 0.165 24.898 0.468 250 HB2 TYR 29 2HB TYR 29 1.000 24.080 3.240 251 HB3 TYR 29 3HB TYR 29 2.118 23.974 1.884 252 HD1 TYR 29 HD1 TYR 29 -0.182 26.414 3.531 253 HD2 TYR 29 HD2 TYR 29 3.444 25.805 1.391 254 HE1 TYR 29 HE1 TYR 29 0.378 28.791 3.817 255 HE2 TYR 29 HE2 TYR 29 4.016 28.180 1.672 256 HH TYR 29 HH TYR 29 1.749 30.488 2.854 257 H TYR 30 H TYR 30 2.010 22.966 0.308 258 HA TYR 30 HA TYR 30 0.688 20.370 0.353 259 HB2 TYR 30 2HB TYR 30 1.964 21.223 -2.223 260 HB3 TYR 30 3HB TYR 30 0.785 19.948 -1.936 261 HD1 TYR 30 HD1 TYR 30 1.226 23.606 -2.221 262 HD2 TYR 30 HD2 TYR 30 -1.549 20.386 -2.042 263 HE1 TYR 30 HE1 TYR 30 -0.580 25.133 -2.897 264 HE2 TYR 30 HE2 TYR 30 -3.363 21.904 -2.719 265 HH TYR 30 HH TYR 30 -3.718 23.989 -3.782 266 HA PRO 31 HA PRO 31 5.391 19.803 -0.610 267 HB2 PRO 31 2HB PRO 31 6.893 22.052 -0.839 268 HB3 PRO 31 3HB PRO 31 6.079 21.297 -2.214 269 HG2 PRO 31 2HG PRO 31 5.232 23.652 -0.570 270 HG3 PRO 31 3HG PRO 31 5.171 23.435 -2.329 271 HD2 PRO 31 2HD PRO 31 2.996 23.126 -0.747 272 HD3 PRO 31 3HD PRO 31 3.236 22.188 -2.235 273 H TRP 32 H TRP 32 7.605 20.798 0.525 274 HA TRP 32 HA TRP 32 6.978 20.665 3.341 275 HB2 TRP 32 2HB TRP 32 9.243 20.223 3.692 276 HB3 TRP 32 3HB TRP 32 8.954 19.531 2.098 277 HD1 TRP 32 HD1 TRP 32 10.958 22.196 3.873 278 HE1 TRP 32 HE1 TRP 32 12.556 23.319 2.197 279 HE3 TRP 32 HE3 TRP 32 9.122 20.199 -0.461 280 HZ2 TRP 32 HZ2 TRP 32 12.982 23.354 -0.594 281 HZ3 TRP 32 HZ3 TRP 32 10.181 20.829 -2.591 282 HH2 TRP 32 HH2 TRP 32 12.071 22.374 -2.654 283 H GLU 33 H GLU 33 6.845 23.128 1.267 284 HA GLU 33 HA GLU 33 8.254 25.119 2.837 285 HB2 GLU 33 2HB GLU 33 6.402 25.620 0.511 286 HB3 GLU 33 3HB GLU 33 7.665 26.675 1.130 287 HG2 GLU 33 2HG GLU 33 9.374 25.191 0.341 288 HG3 GLU 33 3HG GLU 33 8.171 23.993 -0.134 289 H ILE 34 H ILE 34 6.415 23.911 4.427 290 HA ILE 34 HA ILE 34 4.051 25.630 4.497 291 HB ILE 34 HB ILE 34 4.741 23.238 6.208 292 HG12 ILE 34 2HG1 ILE 34 2.534 23.238 4.203 293 HG13 ILE 34 3HG1 ILE 34 4.183 23.081 3.609 294 HG21 ILE 34 1HG2 ILE 34 2.456 23.329 6.979 295 HG22 ILE 34 2HG2 ILE 34 3.245 24.874 7.294 296 HG23 ILE 34 3HG2 ILE 34 2.127 24.715 5.939 297 HD11 ILE 34 1HD1 ILE 34 2.987 20.930 4.003 298 HD12 ILE 34 2HD1 ILE 34 4.522 21.089 4.856 299 HD13 ILE 34 3HD1 ILE 34 3.003 21.305 5.725 300 HA PRO 35 HA PRO 35 5.868 28.249 7.564 301 HB2 PRO 35 2HB PRO 35 3.591 29.505 8.341 302 HB3 PRO 35 3HB PRO 35 4.410 29.860 6.816 303 HG2 PRO 35 2HG PRO 35 2.025 28.124 7.326 304 HG3 PRO 35 3HG PRO 35 2.300 29.292 6.020 305 HD2 PRO 35 2HD PRO 35 2.612 26.624 5.678 306 HD3 PRO 35 3HD PRO 35 3.592 27.819 4.805 307 H ARG 36 H ARG 36 4.926 29.046 9.885 308 HA ARG 36 HA ARG 36 3.686 26.899 11.370 309 HB2 ARG 36 2HB ARG 36 5.622 26.799 12.998 310 HB3 ARG 36 3HB ARG 36 5.892 26.032 11.439 311 HG2 ARG 36 2HG ARG 36 6.715 28.784 11.357 312 HG3 ARG 36 3HG ARG 36 7.492 27.938 12.697 313 HD2 ARG 36 2HD ARG 36 7.434 26.940 9.853 314 HD3 ARG 36 3HD ARG 36 8.768 27.850 10.561 315 HE ARG 36 HE ARG 36 8.251 25.652 12.203 316 HH11 ARG 36 1HH1 ARG 36 9.410 26.329 8.991 317 HH12 ARG 36 2HH1 ARG 36 10.400 24.910 8.908 318 HH21 ARG 36 1HH2 ARG 36 9.551 23.780 12.106 319 HH22 ARG 36 2HH2 ARG 36 10.479 23.460 10.680 320 H CYS 37 H CYS 37 3.657 27.498 13.789 321 HA CYS 37 HA CYS 37 3.065 30.371 13.966 322 HB2 CYS 37 2HB CYS 37 1.899 27.937 15.233 323 HB3 CYS 37 3HB CYS 37 1.874 29.435 16.156 324 HG CYS 37 HG CYS 37 -0.026 30.633 14.854 Start of MODEL 9 1 H MET 1 H MET 1 3.338 0.515 1.542 2 HA MET 1 HA MET 1 4.033 -1.025 -0.725 3 HB2 MET 1 2HB MET 1 1.113 -0.587 -0.183 4 HB3 MET 1 3HB MET 1 1.706 -0.685 -1.835 5 HG2 MET 1 2HG MET 1 2.350 -2.904 -1.606 6 HG3 MET 1 3HG MET 1 2.355 -2.820 0.154 7 HE1 MET 1 1HE MET 1 0.026 -4.772 1.017 8 HE2 MET 1 2HE MET 1 0.893 -3.331 1.547 9 HE3 MET 1 3HE MET 1 -0.867 -3.309 1.432 10 H LYS 2 H LYS 2 5.108 0.443 -1.853 11 HA LYS 2 HA LYS 2 3.841 2.884 -2.696 12 HB2 LYS 2 2HB LYS 2 5.957 2.873 -0.600 13 HB3 LYS 2 3HB LYS 2 6.031 4.130 -1.827 14 HG2 LYS 2 2HG LYS 2 3.464 4.368 -1.171 15 HG3 LYS 2 3HG LYS 2 4.074 3.713 0.351 16 HD2 LYS 2 2HD LYS 2 5.638 5.507 0.576 17 HD3 LYS 2 3HD LYS 2 5.284 6.091 -1.052 18 HE2 LYS 2 2HE LYS 2 3.617 7.340 -0.282 19 HE3 LYS 2 3HE LYS 2 2.855 5.929 0.451 20 HZ1 LYS 2 1HZ LYS 2 5.133 6.973 1.896 21 HZ2 LYS 2 2HZ LYS 2 3.628 6.460 2.471 22 HZ3 LYS 2 3HZ LYS 2 3.803 8.016 1.830 23 H PHE 3 H PHE 3 4.303 1.385 -4.573 24 HA PHE 3 HA PHE 3 7.059 1.320 -5.467 25 HB2 PHE 3 2HB PHE 3 4.475 0.188 -6.475 26 HB3 PHE 3 3HB PHE 3 5.855 0.301 -7.563 27 HD1 PHE 3 HD1 PHE 3 5.393 -0.683 -3.990 28 HD2 PHE 3 HD2 PHE 3 6.917 -1.706 -7.830 29 HE1 PHE 3 HE1 PHE 3 6.281 -2.787 -3.073 30 HE2 PHE 3 HE2 PHE 3 7.807 -3.811 -6.919 31 HZ PHE 3 HZ PHE 3 7.488 -4.355 -4.539 32 H LYS 4 H LYS 4 7.552 2.001 -7.742 33 HA LYS 4 HA LYS 4 6.224 4.566 -8.326 34 HB2 LYS 4 2HB LYS 4 9.055 3.830 -9.067 35 HB3 LYS 4 3HB LYS 4 8.307 5.420 -9.129 36 HG2 LYS 4 2HG LYS 4 9.320 5.751 -7.170 37 HG3 LYS 4 3HG LYS 4 8.010 4.777 -6.500 38 HD2 LYS 4 2HD LYS 4 9.812 3.655 -5.646 39 HD3 LYS 4 3HD LYS 4 9.611 2.788 -7.171 40 HE2 LYS 4 2HE LYS 4 11.613 3.446 -7.893 41 HE3 LYS 4 3HE LYS 4 11.265 5.131 -7.509 42 HZ1 LYS 4 1HZ LYS 4 12.113 4.900 -5.375 43 HZ2 LYS 4 2HZ LYS 4 13.196 4.003 -6.313 44 HZ3 LYS 4 3HZ LYS 4 12.015 3.211 -5.395 45 H PHE 5 H PHE 5 7.334 1.528 -9.594 46 HA PHE 5 HA PHE 5 6.780 2.291 -12.344 47 HB2 PHE 5 2HB PHE 5 7.615 -0.382 -11.198 48 HB3 PHE 5 3HB PHE 5 7.542 0.030 -12.908 49 HD1 PHE 5 HD1 PHE 5 9.094 1.785 -13.802 50 HD2 PHE 5 HD2 PHE 5 9.501 0.130 -9.901 51 HE1 PHE 5 HE1 PHE 5 11.419 2.583 -13.710 52 HE2 PHE 5 HE2 PHE 5 11.827 0.927 -9.803 53 HZ PHE 5 HZ PHE 5 12.789 2.156 -11.708 54 H ASN 6 H ASN 6 5.353 0.421 -9.752 55 HA ASN 6 HA ASN 6 3.470 -1.074 -11.111 56 HB2 ASN 6 2HB ASN 6 3.743 -0.001 -8.383 57 HB3 ASN 6 3HB ASN 6 2.086 -0.345 -8.869 58 HD21 ASN 6 1HD2 ASN 6 1.705 -2.121 -7.675 59 HD22 ASN 6 2HD2 ASN 6 2.577 -3.605 -7.827 60 HA PRO 7 HA PRO 7 0.459 1.642 -12.788 61 HB2 PRO 7 2HB PRO 7 -1.864 0.335 -12.272 62 HB3 PRO 7 3HB PRO 7 -0.698 -0.218 -13.480 63 HG2 PRO 7 2HG PRO 7 -1.111 -1.168 -10.671 64 HG3 PRO 7 3HG PRO 7 -0.828 -2.117 -12.143 65 HD2 PRO 7 2HD PRO 7 1.133 -1.586 -10.353 66 HD3 PRO 7 3HD PRO 7 1.447 -1.751 -12.093 67 H THR 8 H THR 8 -0.123 0.572 -9.476 68 HA THR 8 HA THR 8 -2.138 2.372 -8.772 69 HB THR 8 HB THR 8 -1.276 0.404 -7.404 70 HG1 THR 8 HG1 THR 8 -2.704 1.486 -6.238 71 HG21 THR 8 1HG2 THR 8 1.106 1.096 -7.438 72 HG22 THR 8 2HG2 THR 8 0.490 0.834 -5.806 73 HG23 THR 8 3HG2 THR 8 0.690 2.474 -6.420 74 H GLY 9 H GLY 9 1.185 2.913 -9.414 75 HA2 GLY 9 2HA GLY 9 1.845 5.067 -7.817 76 HA3 GLY 9 3HA GLY 9 2.421 4.850 -9.463 77 H THR 10 H THR 10 -0.023 5.082 -10.825 78 HA THR 10 HA THR 10 -0.270 7.935 -10.887 79 HB THR 10 HB THR 10 -1.892 5.859 -12.372 80 HG1 THR 10 HG1 THR 10 0.573 7.143 -12.915 81 HG21 THR 10 1HG2 THR 10 -2.311 8.605 -12.127 82 HG22 THR 10 2HG2 THR 10 -3.000 7.535 -13.348 83 HG23 THR 10 3HG2 THR 10 -1.506 8.408 -13.683 84 H ILE 11 H ILE 11 -2.531 5.279 -10.160 85 HA ILE 11 HA ILE 11 -4.765 6.796 -9.536 86 HB ILE 11 HB ILE 11 -3.894 4.191 -8.279 87 HG12 ILE 11 2HG1 ILE 11 -5.959 3.675 -10.030 88 HG13 ILE 11 3HG1 ILE 11 -5.045 4.921 -10.873 89 HG21 ILE 11 1HG2 ILE 11 -6.273 3.891 -7.739 90 HG22 ILE 11 2HG2 ILE 11 -5.574 5.283 -6.915 91 HG23 ILE 11 3HG2 ILE 11 -6.600 5.520 -8.329 92 HD11 ILE 11 1HD1 ILE 11 -4.016 3.043 -11.649 93 HD12 ILE 11 2HD1 ILE 11 -3.009 3.392 -10.244 94 HD13 ILE 11 3HD1 ILE 11 -4.260 2.153 -10.146 95 H VAL 12 H VAL 12 -2.320 5.533 -7.264 96 HA VAL 12 HA VAL 12 -3.295 6.683 -4.941 97 HB VAL 12 HB VAL 12 -0.418 6.178 -5.709 98 HG11 VAL 12 1HG1 VAL 12 -0.497 7.758 -3.882 99 HG12 VAL 12 2HG1 VAL 12 -1.638 6.735 -3.007 100 HG13 VAL 12 3HG1 VAL 12 0.016 6.183 -3.278 101 HG21 VAL 12 1HG2 VAL 12 -0.648 4.044 -4.920 102 HG22 VAL 12 2HG2 VAL 12 -1.961 4.471 -3.822 103 HG23 VAL 12 3HG2 VAL 12 -2.274 4.306 -5.550 104 H LYS 13 H LYS 13 -1.462 8.122 -7.542 105 HA LYS 13 HA LYS 13 -0.810 10.524 -6.114 106 HB2 LYS 13 2HB LYS 13 0.565 10.856 -7.843 107 HB3 LYS 13 3HB LYS 13 0.002 9.328 -8.507 108 HG2 LYS 13 2HG LYS 13 -1.753 10.506 -9.733 109 HG3 LYS 13 3HG LYS 13 -1.183 12.039 -9.069 110 HD2 LYS 13 2HD LYS 13 0.643 10.221 -10.609 111 HD3 LYS 13 3HD LYS 13 -0.408 11.379 -11.428 112 HE2 LYS 13 2HE LYS 13 1.476 12.181 -9.225 113 HE3 LYS 13 3HE LYS 13 1.968 12.135 -10.918 114 HZ1 LYS 13 1HZ LYS 13 -0.315 13.547 -11.031 115 HZ2 LYS 13 2HZ LYS 13 1.229 14.230 -10.941 116 HZ3 LYS 13 3HZ LYS 13 0.304 14.045 -9.537 117 H LYS 14 H LYS 14 -3.381 9.466 -8.250 118 HA LYS 14 HA LYS 14 -4.516 12.084 -8.574 119 HB2 LYS 14 2HB LYS 14 -5.612 9.329 -9.162 120 HB3 LYS 14 3HB LYS 14 -6.437 10.827 -9.571 121 HG2 LYS 14 2HG LYS 14 -3.788 9.876 -10.637 122 HG3 LYS 14 3HG LYS 14 -5.316 9.978 -11.515 123 HD2 LYS 14 2HD LYS 14 -5.304 12.429 -11.164 124 HD3 LYS 14 3HD LYS 14 -3.722 12.283 -10.395 125 HE2 LYS 14 2HE LYS 14 -3.421 10.929 -12.786 126 HE3 LYS 14 3HE LYS 14 -4.435 12.307 -13.214 127 HZ1 LYS 14 1HZ LYS 14 -1.735 12.348 -12.985 128 HZ2 LYS 14 2HZ LYS 14 -2.233 13.006 -11.509 129 HZ3 LYS 14 3HZ LYS 14 -2.739 13.709 -12.962 130 H LEU 15 H LEU 15 -5.401 9.177 -6.724 131 HA LEU 15 HA LEU 15 -7.703 10.166 -5.512 132 HB2 LEU 15 2HB LEU 15 -5.703 8.076 -4.790 133 HB3 LEU 15 3HB LEU 15 -6.926 8.536 -3.607 134 HG LEU 15 HG LEU 15 -7.383 6.493 -5.076 135 HD11 LEU 15 1HD1 LEU 15 -9.018 7.972 -3.702 136 HD12 LEU 15 2HD1 LEU 15 -9.658 6.812 -4.866 137 HD13 LEU 15 3HD1 LEU 15 -9.565 8.522 -5.286 138 HD21 LEU 15 1HD2 LEU 15 -8.353 6.946 -7.259 139 HD22 LEU 15 2HD2 LEU 15 -6.680 7.503 -7.197 140 HD23 LEU 15 3HD2 LEU 15 -8.003 8.665 -7.076 141 H THR 16 H THR 16 -4.332 10.667 -4.734 142 HA THR 16 HA THR 16 -4.797 11.821 -2.158 143 HB THR 16 HB THR 16 -2.374 12.000 -3.961 144 HG1 THR 16 HG1 THR 16 -1.588 10.394 -2.461 145 HG21 THR 16 1HG2 THR 16 -1.659 13.573 -2.542 146 HG22 THR 16 2HG2 THR 16 -1.583 12.308 -1.315 147 HG23 THR 16 3HG2 THR 16 -3.025 13.313 -1.458 148 H GLN 17 H GLN 17 -4.677 13.013 -5.430 149 HA GLN 17 HA GLN 17 -4.193 15.713 -5.015 150 HB2 GLN 17 2HB GLN 17 -4.628 14.279 -7.202 151 HB3 GLN 17 3HB GLN 17 -6.256 14.919 -7.017 152 HG2 GLN 17 2HG GLN 17 -5.658 16.973 -7.667 153 HG3 GLN 17 3HG GLN 17 -4.137 16.922 -6.777 154 HE21 GLN 17 1HE2 GLN 17 -5.703 15.534 -9.636 155 HE22 GLN 17 2HE2 GLN 17 -4.286 15.531 -10.625 156 H TYR 18 H TYR 18 -7.003 13.828 -4.290 157 HA TYR 18 HA TYR 18 -8.630 16.213 -3.836 158 HB2 TYR 18 2HB TYR 18 -9.339 13.278 -3.656 159 HB3 TYR 18 3HB TYR 18 -10.469 14.609 -3.428 160 HD1 TYR 18 HD1 TYR 18 -11.604 15.511 -5.259 161 HD2 TYR 18 HD2 TYR 18 -8.153 13.115 -5.930 162 HE1 TYR 18 HE1 TYR 18 -12.059 15.544 -7.676 163 HE2 TYR 18 HE2 TYR 18 -8.598 13.142 -8.349 164 HH TYR 18 HH TYR 18 -10.938 13.501 -9.784 165 H GLU 19 H GLU 19 -6.885 13.742 -2.125 166 HA GLU 19 HA GLU 19 -8.105 14.179 0.420 167 HB2 GLU 19 2HB GLU 19 -5.449 12.918 -0.287 168 HB3 GLU 19 3HB GLU 19 -6.205 12.861 1.299 169 HG2 GLU 19 2HG GLU 19 -7.536 11.786 -1.167 170 HG3 GLU 19 3HG GLU 19 -6.466 10.816 -0.157 171 H ILE 20 H ILE 20 -5.265 15.442 -1.231 172 HA ILE 20 HA ILE 20 -3.976 16.718 0.858 173 HB ILE 20 HB ILE 20 -4.255 17.721 -1.977 174 HG12 ILE 20 2HG1 ILE 20 -1.786 16.372 -1.067 175 HG13 ILE 20 3HG1 ILE 20 -3.203 15.338 -1.217 176 HG21 ILE 20 1HG2 ILE 20 -1.763 18.414 -0.885 177 HG22 ILE 20 2HG2 ILE 20 -3.093 19.490 -1.312 178 HG23 ILE 20 3HG2 ILE 20 -2.972 18.843 0.325 179 HD11 ILE 20 1HD1 ILE 20 -3.223 16.808 -3.548 180 HD12 ILE 20 2HD1 ILE 20 -1.513 16.480 -3.266 181 HD13 ILE 20 3HD1 ILE 20 -2.663 15.147 -3.357 182 H ALA 21 H ALA 21 -6.858 17.661 -0.887 183 HA ALA 21 HA ALA 21 -7.072 20.337 -0.260 184 HB1 ALA 21 1HB ALA 21 -9.657 19.254 0.033 185 HB2 ALA 21 2HB ALA 21 -8.952 20.019 -1.392 186 HB3 ALA 21 3HB ALA 21 -8.823 18.274 -1.173 187 H TRP 22 H TRP 22 -8.032 17.549 1.717 188 HA TRP 22 HA TRP 22 -9.237 18.854 3.828 189 HB2 TRP 22 2HB TRP 22 -9.238 16.437 3.672 190 HB3 TRP 22 3HB TRP 22 -7.490 16.386 3.876 191 HD1 TRP 22 HD1 TRP 22 -6.530 16.861 6.353 192 HE1 TRP 22 HE1 TRP 22 -7.633 16.638 8.669 193 HE3 TRP 22 HE3 TRP 22 -11.431 16.692 4.906 194 HZ2 TRP 22 HZ2 TRP 22 -10.235 16.419 9.740 195 HZ3 TRP 22 HZ3 TRP 22 -13.165 16.475 6.638 196 HH2 TRP 22 HH2 TRP 22 -12.577 16.340 9.004 197 H PHE 23 H PHE 23 -5.786 18.223 3.317 198 HA PHE 23 HA PHE 23 -5.001 19.476 5.772 199 HB2 PHE 23 2HB PHE 23 -3.489 17.845 5.048 200 HB3 PHE 23 3HB PHE 23 -3.531 18.409 3.381 201 HD1 PHE 23 HD1 PHE 23 -1.996 20.006 2.598 202 HD2 PHE 23 HD2 PHE 23 -2.292 19.212 6.769 203 HE1 PHE 23 HE1 PHE 23 0.047 21.320 2.990 204 HE2 PHE 23 HE2 PHE 23 -0.251 20.525 7.168 205 HZ PHE 23 HZ PHE 23 0.921 21.582 5.277 206 H LYS 24 H LYS 24 -5.462 20.487 2.473 207 HA LYS 24 HA LYS 24 -3.973 22.867 2.502 208 HB2 LYS 24 2HB LYS 24 -4.852 21.871 0.443 209 HB3 LYS 24 3HB LYS 24 -6.496 22.211 0.968 210 HG2 LYS 24 2HG LYS 24 -6.185 23.992 -0.395 211 HG3 LYS 24 3HG LYS 24 -5.541 24.681 1.097 212 HD2 LYS 24 2HD LYS 24 -3.272 23.818 0.325 213 HD3 LYS 24 3HD LYS 24 -4.029 23.556 -1.247 214 HE2 LYS 24 2HE LYS 24 -4.068 26.203 0.187 215 HE3 LYS 24 3HE LYS 24 -2.812 25.747 -0.963 216 HZ1 LYS 24 1HZ LYS 24 -5.498 25.370 -1.939 217 HZ2 LYS 24 2HZ LYS 24 -4.166 26.091 -2.689 218 HZ3 LYS 24 3HZ LYS 24 -5.113 26.984 -1.609 219 H ASN 25 H ASN 25 -7.115 22.072 3.783 220 HA ASN 25 HA ASN 25 -7.916 24.806 4.189 221 HB2 ASN 25 2HB ASN 25 -9.048 22.183 5.175 222 HB3 ASN 25 3HB ASN 25 -9.769 23.749 5.533 223 HD21 ASN 25 1HD2 ASN 25 -10.049 21.169 3.613 224 HD22 ASN 25 2HD2 ASN 25 -10.768 21.891 2.218 225 H LYS 26 H LYS 26 -5.812 22.704 5.750 226 HA LYS 26 HA LYS 26 -6.212 23.874 8.394 227 HB2 LYS 26 2HB LYS 26 -4.105 21.864 7.619 228 HB3 LYS 26 3HB LYS 26 -4.742 22.202 9.222 229 HG2 LYS 26 2HG LYS 26 -6.331 20.984 6.974 230 HG3 LYS 26 3HG LYS 26 -5.548 20.073 8.267 231 HD2 LYS 26 2HD LYS 26 -6.968 20.979 9.909 232 HD3 LYS 26 3HD LYS 26 -7.520 22.269 8.837 233 HE2 LYS 26 2HE LYS 26 -9.154 20.996 8.017 234 HE3 LYS 26 3HE LYS 26 -8.048 19.657 7.713 235 HZ1 LYS 26 1HZ LYS 26 -9.424 20.276 10.269 236 HZ2 LYS 26 2HZ LYS 26 -8.252 19.070 10.087 237 HZ3 LYS 26 3HZ LYS 26 -9.719 18.957 9.252 238 H HIS 27 H HIS 27 -4.001 23.963 5.694 239 HA HIS 27 HA HIS 27 -2.612 26.206 6.963 240 HB2 HIS 27 2HB HIS 27 -1.166 23.936 5.583 241 HB3 HIS 27 3HB HIS 27 -0.425 25.365 6.298 242 HD1 HIS 27 HD1 HIS 27 -2.221 22.195 7.276 243 HD2 HIS 27 HD2 HIS 27 0.067 25.204 9.001 244 HE1 HIS 27 HE1 HIS 27 -1.729 21.409 9.614 245 H GLY 28 H GLY 28 -3.027 24.295 3.994 246 HA2 GLY 28 2HA GLY 28 -3.794 25.258 1.955 247 HA3 GLY 28 3HA GLY 28 -3.188 26.816 2.497 248 H TYR 29 H TYR 29 -1.261 23.929 2.783 249 HA TYR 29 HA TYR 29 0.388 24.836 0.517 250 HB2 TYR 29 2HB TYR 29 1.235 24.012 3.283 251 HB3 TYR 29 3HB TYR 29 2.343 23.897 1.920 252 HD1 TYR 29 HD1 TYR 29 0.072 26.356 3.579 253 HD2 TYR 29 HD2 TYR 29 3.682 25.717 1.419 254 HE1 TYR 29 HE1 TYR 29 0.653 28.729 3.860 255 HE2 TYR 29 HE2 TYR 29 4.273 28.088 1.695 256 HH TYR 29 HH TYR 29 2.591 30.166 3.835 257 H TYR 30 H TYR 30 2.217 22.890 0.344 258 HA TYR 30 HA TYR 30 0.876 20.305 0.399 259 HB2 TYR 30 2HB TYR 30 2.141 21.148 -2.187 260 HB3 TYR 30 3HB TYR 30 0.955 19.881 -1.891 261 HD1 TYR 30 HD1 TYR 30 1.421 23.536 -2.179 262 HD2 TYR 30 HD2 TYR 30 -1.377 20.336 -1.982 263 HE1 TYR 30 HE1 TYR 30 -0.378 25.076 -2.843 264 HE2 TYR 30 HE2 TYR 30 -3.183 21.867 -2.647 265 HH TYR 30 HH TYR 30 -2.728 24.754 -4.042 266 HA PRO 31 HA PRO 31 5.567 19.701 -0.596 267 HB2 PRO 31 2HB PRO 31 7.086 21.939 -0.835 268 HB3 PRO 31 3HB PRO 31 6.256 21.190 -2.204 269 HG2 PRO 31 2HG PRO 31 5.439 23.551 -0.555 270 HG3 PRO 31 3HG PRO 31 5.365 23.335 -2.314 271 HD2 PRO 31 2HD PRO 31 3.197 23.043 -0.717 272 HD3 PRO 31 3HD PRO 31 3.420 22.102 -2.206 273 H TRP 32 H TRP 32 7.797 20.679 0.525 274 HA TRP 32 HA TRP 32 7.188 20.551 3.345 275 HB2 TRP 32 2HB TRP 32 9.451 20.090 3.681 276 HB3 TRP 32 3HB TRP 32 9.146 19.402 2.088 277 HD1 TRP 32 HD1 TRP 32 11.182 22.050 3.851 278 HE1 TRP 32 HE1 TRP 32 12.778 23.161 2.166 279 HE3 TRP 32 HE3 TRP 32 9.304 20.070 -0.472 280 HZ2 TRP 32 HZ2 TRP 32 13.187 23.194 -0.627 281 HZ3 TRP 32 HZ3 TRP 32 10.354 20.692 -2.608 282 HH2 TRP 32 HH2 TRP 32 12.255 22.223 -2.682 283 H GLU 33 H GLU 33 7.060 23.015 1.271 284 HA GLU 33 HA GLU 33 8.495 24.995 2.832 285 HB2 GLU 33 2HB GLU 33 6.632 25.510 0.517 286 HB3 GLU 33 3HB GLU 33 7.907 26.555 1.128 287 HG2 GLU 33 2HG GLU 33 9.599 25.058 0.328 288 HG3 GLU 33 3HG GLU 33 8.384 23.869 -0.138 289 H ILE 34 H ILE 34 6.656 23.801 4.433 290 HA ILE 34 HA ILE 34 4.307 25.538 4.518 291 HB ILE 34 HB ILE 34 4.989 23.142 6.226 292 HG12 ILE 34 2HG1 ILE 34 2.770 23.158 4.235 293 HG13 ILE 34 3HG1 ILE 34 4.414 22.988 3.631 294 HG21 ILE 34 1HG2 ILE 34 3.511 24.791 7.320 295 HG22 ILE 34 2HG2 ILE 34 2.386 24.640 5.972 296 HG23 ILE 34 3HG2 ILE 34 2.709 23.252 7.010 297 HD11 ILE 34 1HD1 ILE 34 4.734 20.966 4.751 298 HD12 ILE 34 2HD1 ILE 34 3.347 21.230 5.808 299 HD13 ILE 34 3HD1 ILE 34 3.098 20.865 4.101 300 HA PRO 35 HA PRO 35 6.164 28.143 7.573 301 HB2 PRO 35 2HB PRO 35 3.901 29.418 8.365 302 HB3 PRO 35 3HB PRO 35 4.714 29.766 6.834 303 HG2 PRO 35 2HG PRO 35 2.318 28.050 7.359 304 HG3 PRO 35 3HG PRO 35 2.595 29.215 6.052 305 HD2 PRO 35 2HD PRO 35 2.883 26.544 5.709 306 HD3 PRO 35 3HD PRO 35 3.867 27.731 4.829 307 H ARG 36 H ARG 36 5.238 28.950 9.899 308 HA ARG 36 HA ARG 36 5.228 26.558 11.499 309 HB2 ARG 36 2HB ARG 36 4.920 29.407 12.451 310 HB3 ARG 36 3HB ARG 36 5.456 28.018 13.388 311 HG2 ARG 36 2HG ARG 36 7.503 28.809 12.963 312 HG3 ARG 36 3HG ARG 36 7.289 28.036 11.391 313 HD2 ARG 36 2HD ARG 36 7.737 30.071 10.562 314 HD3 ARG 36 3HD ARG 36 6.066 30.434 10.991 315 HE ARG 36 HE ARG 36 7.548 30.960 13.250 316 HH11 ARG 36 1HH1 ARG 36 7.476 32.084 9.955 317 HH12 ARG 36 2HH1 ARG 36 8.048 33.672 10.347 318 HH21 ARG 36 1HH2 ARG 36 8.301 33.047 13.778 319 HH22 ARG 36 2HH2 ARG 36 8.518 34.218 12.522 320 H CYS 37 H CYS 37 3.665 26.148 13.207 321 HA CYS 37 HA CYS 37 1.038 26.034 12.286 322 HB2 CYS 37 2HB CYS 37 2.334 25.632 14.952 323 HB3 CYS 37 3HB CYS 37 0.577 25.682 14.859 324 HG CYS 37 HG CYS 37 1.267 23.016 14.920 Start of MODEL 10 1 H MET 1 H MET 1 3.816 -1.008 -2.196 2 HA MET 1 HA MET 1 4.177 -0.109 0.297 3 HB2 MET 1 2HB MET 1 6.868 -1.040 -0.718 4 HB3 MET 1 3HB MET 1 6.614 -0.052 0.714 5 HG2 MET 1 2HG MET 1 5.332 -1.865 1.736 6 HG3 MET 1 3HG MET 1 5.599 -2.855 0.303 7 HE1 MET 1 1HE MET 1 7.921 -3.042 3.946 8 HE2 MET 1 2HE MET 1 7.516 -1.358 3.611 9 HE3 MET 1 3HE MET 1 6.251 -2.588 3.601 10 H LYS 2 H LYS 2 3.197 1.115 -1.772 11 HA LYS 2 HA LYS 2 3.207 3.016 -3.022 12 HB2 LYS 2 2HB LYS 2 5.576 3.778 -1.306 13 HB3 LYS 2 3HB LYS 2 4.550 4.875 -2.220 14 HG2 LYS 2 2HG LYS 2 3.327 5.125 -0.393 15 HG3 LYS 2 3HG LYS 2 2.802 3.450 -0.584 16 HD2 LYS 2 2HD LYS 2 4.952 2.835 0.669 17 HD3 LYS 2 3HD LYS 2 5.026 4.541 1.116 18 HE2 LYS 2 2HE LYS 2 3.913 3.515 2.901 19 HE3 LYS 2 3HE LYS 2 2.627 4.246 1.941 20 HZ1 LYS 2 1HZ LYS 2 2.299 2.048 0.888 21 HZ2 LYS 2 2HZ LYS 2 1.978 2.046 2.549 22 HZ3 LYS 2 3HZ LYS 2 3.422 1.386 1.966 23 H PHE 3 H PHE 3 4.069 1.289 -4.622 24 HA PHE 3 HA PHE 3 6.793 1.448 -5.428 25 HB2 PHE 3 2HB PHE 3 4.303 0.256 -6.584 26 HB3 PHE 3 3HB PHE 3 5.733 0.407 -7.600 27 HD1 PHE 3 HD1 PHE 3 5.142 -0.575 -4.046 28 HD2 PHE 3 HD2 PHE 3 6.836 -1.585 -7.818 29 HE1 PHE 3 HE1 PHE 3 6.039 -2.654 -3.083 30 HE2 PHE 3 HE2 PHE 3 7.735 -3.666 -6.861 31 HZ PHE 3 HZ PHE 3 7.336 -4.203 -4.491 32 H LYS 4 H LYS 4 7.316 2.030 -7.787 33 HA LYS 4 HA LYS 4 6.076 4.633 -8.400 34 HB2 LYS 4 2HB LYS 4 8.893 3.817 -9.108 35 HB3 LYS 4 3HB LYS 4 8.188 5.426 -9.183 36 HG2 LYS 4 2HG LYS 4 9.267 5.697 -7.234 37 HG3 LYS 4 3HG LYS 4 7.846 4.889 -6.569 38 HD2 LYS 4 2HD LYS 4 9.225 2.718 -7.110 39 HD3 LYS 4 3HD LYS 4 10.595 3.829 -7.036 40 HE2 LYS 4 2HE LYS 4 9.358 4.568 -4.798 41 HE3 LYS 4 3HE LYS 4 8.763 2.911 -4.889 42 HZ1 LYS 4 1HZ LYS 4 11.162 2.249 -5.164 43 HZ2 LYS 4 2HZ LYS 4 10.732 2.833 -3.636 44 HZ3 LYS 4 3HZ LYS 4 11.573 3.827 -4.715 45 H PHE 5 H PHE 5 7.159 1.565 -9.638 46 HA PHE 5 HA PHE 5 6.621 2.316 -12.395 47 HB2 PHE 5 2HB PHE 5 7.494 -0.314 -11.181 48 HB3 PHE 5 3HB PHE 5 7.321 -0.011 -12.907 49 HD1 PHE 5 HD1 PHE 5 8.667 2.089 -13.780 50 HD2 PHE 5 HD2 PHE 5 9.574 -0.095 -10.241 51 HE1 PHE 5 HE1 PHE 5 10.983 2.915 -13.869 52 HE2 PHE 5 HE2 PHE 5 11.891 0.728 -10.324 53 HZ PHE 5 HZ PHE 5 12.598 2.235 -12.138 54 H ASN 6 H ASN 6 5.178 0.457 -9.801 55 HA ASN 6 HA ASN 6 3.289 -1.028 -11.164 56 HB2 ASN 6 2HB ASN 6 3.574 0.031 -8.434 57 HB3 ASN 6 3HB ASN 6 1.910 -0.283 -8.919 58 HD21 ASN 6 1HD2 ASN 6 5.098 -1.823 -9.189 59 HD22 ASN 6 2HD2 ASN 6 4.551 -3.412 -8.784 60 HA PRO 7 HA PRO 7 0.295 1.705 -12.841 61 HB2 PRO 7 2HB PRO 7 -2.036 0.409 -12.330 62 HB3 PRO 7 3HB PRO 7 -0.871 -0.149 -13.537 63 HG2 PRO 7 2HG PRO 7 -1.292 -1.099 -10.730 64 HG3 PRO 7 3HG PRO 7 -1.013 -2.047 -12.202 65 HD2 PRO 7 2HD PRO 7 0.949 -1.529 -10.409 66 HD3 PRO 7 3HD PRO 7 1.264 -1.694 -12.149 67 H THR 8 H THR 8 -0.295 0.635 -9.531 68 HA THR 8 HA THR 8 -2.303 2.444 -8.827 69 HB THR 8 HB THR 8 -1.451 0.471 -7.460 70 HG1 THR 8 HG1 THR 8 -2.962 1.995 -6.632 71 HG21 THR 8 1HG2 THR 8 0.934 1.152 -7.491 72 HG22 THR 8 2HG2 THR 8 0.315 0.892 -5.860 73 HG23 THR 8 3HG2 THR 8 0.524 2.532 -6.473 74 H GLY 9 H GLY 9 1.024 2.970 -9.466 75 HA2 GLY 9 2HA GLY 9 1.691 5.120 -7.867 76 HA3 GLY 9 3HA GLY 9 2.269 4.901 -9.512 77 H THR 10 H THR 10 -0.174 5.145 -10.876 78 HA THR 10 HA THR 10 -0.406 8.000 -10.938 79 HB THR 10 HB THR 10 -2.037 5.931 -12.425 80 HG1 THR 10 HG1 THR 10 -0.038 5.656 -13.210 81 HG21 THR 10 1HG2 THR 10 -3.140 7.612 -13.396 82 HG22 THR 10 2HG2 THR 10 -1.642 8.476 -13.739 83 HG23 THR 10 3HG2 THR 10 -2.440 8.680 -12.180 84 H ILE 11 H ILE 11 -2.681 5.355 -10.213 85 HA ILE 11 HA ILE 11 -4.908 6.882 -9.590 86 HB ILE 11 HB ILE 11 -4.051 4.273 -8.333 87 HG12 ILE 11 2HG1 ILE 11 -6.117 3.768 -10.087 88 HG13 ILE 11 3HG1 ILE 11 -5.195 5.009 -10.929 89 HG21 ILE 11 1HG2 ILE 11 -6.432 3.984 -7.796 90 HG22 ILE 11 2HG2 ILE 11 -5.727 5.374 -6.971 91 HG23 ILE 11 3HG2 ILE 11 -6.750 5.615 -8.387 92 HD11 ILE 11 1HD1 ILE 11 -4.178 3.123 -11.703 93 HD12 ILE 11 2HD1 ILE 11 -3.168 3.469 -10.299 94 HD13 ILE 11 3HD1 ILE 11 -4.425 2.237 -10.199 95 H VAL 12 H VAL 12 -2.470 5.607 -7.318 96 HA VAL 12 HA VAL 12 -3.441 6.760 -4.995 97 HB VAL 12 HB VAL 12 -0.565 6.242 -5.761 98 HG11 VAL 12 1HG1 VAL 12 -0.134 6.243 -3.330 99 HG12 VAL 12 2HG1 VAL 12 -0.640 7.822 -3.933 100 HG13 VAL 12 3HG1 VAL 12 -1.784 6.802 -3.060 101 HG21 VAL 12 1HG2 VAL 12 -2.081 4.536 -3.865 102 HG22 VAL 12 2HG2 VAL 12 -2.459 4.388 -5.581 103 HG23 VAL 12 3HG2 VAL 12 -0.814 4.104 -5.013 104 H LYS 13 H LYS 13 -1.598 8.192 -7.593 105 HA LYS 13 HA LYS 13 -0.937 10.590 -6.164 106 HB2 LYS 13 2HB LYS 13 0.441 10.917 -7.891 107 HB3 LYS 13 3HB LYS 13 -0.127 9.391 -8.556 108 HG2 LYS 13 2HG LYS 13 -1.876 10.577 -9.784 109 HG3 LYS 13 3HG LYS 13 -1.300 12.108 -9.119 110 HD2 LYS 13 2HD LYS 13 0.839 10.578 -10.344 111 HD3 LYS 13 3HD LYS 13 -0.471 10.910 -11.480 112 HE2 LYS 13 2HE LYS 13 0.963 12.747 -11.691 113 HE3 LYS 13 3HE LYS 13 -0.335 13.324 -10.648 114 HZ1 LYS 13 1HZ LYS 13 2.286 12.320 -9.680 115 HZ2 LYS 13 2HZ LYS 13 1.056 12.994 -8.735 116 HZ3 LYS 13 3HZ LYS 13 1.886 13.955 -9.853 117 H LYS 14 H LYS 14 -3.510 9.544 -8.303 118 HA LYS 14 HA LYS 14 -4.633 12.167 -8.628 119 HB2 LYS 14 2HB LYS 14 -5.740 9.417 -9.216 120 HB3 LYS 14 3HB LYS 14 -6.560 10.918 -9.625 121 HG2 LYS 14 2HG LYS 14 -3.915 9.957 -10.691 122 HG3 LYS 14 3HG LYS 14 -5.442 10.065 -11.569 123 HD2 LYS 14 2HD LYS 14 -5.421 12.517 -11.217 124 HD3 LYS 14 3HD LYS 14 -3.839 12.364 -10.450 125 HE2 LYS 14 2HE LYS 14 -3.184 11.157 -12.659 126 HE3 LYS 14 3HE LYS 14 -4.608 11.965 -13.314 127 HZ1 LYS 14 1HZ LYS 14 -2.786 13.642 -11.798 128 HZ2 LYS 14 2HZ LYS 14 -3.615 13.967 -13.236 129 HZ3 LYS 14 3HZ LYS 14 -2.187 13.060 -13.270 130 H LEU 15 H LEU 15 -5.533 9.266 -6.776 131 HA LEU 15 HA LEU 15 -7.831 10.267 -5.567 132 HB2 LEU 15 2HB LEU 15 -5.841 8.169 -4.842 133 HB3 LEU 15 3HB LEU 15 -7.062 8.636 -3.660 134 HG LEU 15 HG LEU 15 -7.526 6.593 -5.130 135 HD11 LEU 15 1HD1 LEU 15 -9.783 8.455 -5.468 136 HD12 LEU 15 2HD1 LEU 15 -9.151 8.297 -3.830 137 HD13 LEU 15 3HD1 LEU 15 -9.719 6.870 -4.697 138 HD21 LEU 15 1HD2 LEU 15 -8.496 7.050 -7.311 139 HD22 LEU 15 2HD2 LEU 15 -6.824 7.608 -7.250 140 HD23 LEU 15 3HD2 LEU 15 -8.146 8.769 -7.126 141 H THR 16 H THR 16 -4.458 10.754 -4.787 142 HA THR 16 HA THR 16 -4.917 11.912 -2.213 143 HB THR 16 HB THR 16 -2.495 12.084 -4.017 144 HG1 THR 16 HG1 THR 16 -3.228 9.968 -3.095 145 HG21 THR 16 1HG2 THR 16 -1.692 12.388 -1.379 146 HG22 THR 16 2HG2 THR 16 -3.140 13.387 -1.504 147 HG23 THR 16 3HG2 THR 16 -1.784 13.658 -2.598 148 H GLN 17 H GLN 17 -4.794 13.103 -5.485 149 HA GLN 17 HA GLN 17 -4.301 15.801 -5.071 150 HB2 GLN 17 2HB GLN 17 -4.808 14.320 -7.249 151 HB3 GLN 17 3HB GLN 17 -6.377 15.095 -7.072 152 HG2 GLN 17 2HG GLN 17 -5.021 17.283 -6.911 153 HG3 GLN 17 3HG GLN 17 -3.713 16.334 -7.615 154 HE21 GLN 17 1HE2 GLN 17 -3.556 16.867 -9.672 155 HE22 GLN 17 2HE2 GLN 17 -4.866 16.998 -10.790 156 H TYR 18 H TYR 18 -7.119 13.925 -4.347 157 HA TYR 18 HA TYR 18 -8.737 16.315 -3.893 158 HB2 TYR 18 2HB TYR 18 -9.456 13.382 -3.713 159 HB3 TYR 18 3HB TYR 18 -10.581 14.716 -3.484 160 HD1 TYR 18 HD1 TYR 18 -8.271 13.217 -5.988 161 HD2 TYR 18 HD2 TYR 18 -11.712 15.626 -5.315 162 HE1 TYR 18 HE1 TYR 18 -8.716 13.245 -8.406 163 HE2 TYR 18 HE2 TYR 18 -12.168 15.661 -7.731 164 HH TYR 18 HH TYR 18 -10.083 15.042 -10.004 165 H GLU 19 H GLU 19 -7.000 13.839 -2.181 166 HA GLU 19 HA GLU 19 -8.219 14.280 0.363 167 HB2 GLU 19 2HB GLU 19 -5.566 13.012 -0.341 168 HB3 GLU 19 3HB GLU 19 -6.326 12.955 1.243 169 HG2 GLU 19 2HG GLU 19 -7.663 11.891 -1.224 170 HG3 GLU 19 3HG GLU 19 -6.586 10.914 -0.227 171 H ILE 20 H ILE 20 -5.375 15.534 -1.288 172 HA ILE 20 HA ILE 20 -4.081 16.806 0.801 173 HB ILE 20 HB ILE 20 -4.359 17.810 -2.034 174 HG12 ILE 20 2HG1 ILE 20 -1.894 16.455 -1.126 175 HG13 ILE 20 3HG1 ILE 20 -3.313 15.424 -1.274 176 HG21 ILE 20 1HG2 ILE 20 -3.194 19.577 -1.367 177 HG22 ILE 20 2HG2 ILE 20 -3.072 18.928 0.268 178 HG23 ILE 20 3HG2 ILE 20 -1.865 18.497 -0.943 179 HD11 ILE 20 1HD1 ILE 20 -1.637 16.606 -3.330 180 HD12 ILE 20 2HD1 ILE 20 -2.731 15.225 -3.408 181 HD13 ILE 20 3HD1 ILE 20 -3.360 16.861 -3.607 182 H ALA 21 H ALA 21 -6.962 17.758 -0.943 183 HA ALA 21 HA ALA 21 -7.167 20.434 -0.315 184 HB1 ALA 21 1HB ALA 21 -9.633 20.097 -0.420 185 HB2 ALA 21 2HB ALA 21 -8.753 19.405 -1.784 186 HB3 ALA 21 3HB ALA 21 -9.344 18.359 -0.493 187 H TRP 22 H TRP 22 -8.135 17.649 1.661 188 HA TRP 22 HA TRP 22 -9.336 18.957 3.774 189 HB2 TRP 22 2HB TRP 22 -9.353 16.544 3.628 190 HB3 TRP 22 3HB TRP 22 -7.602 16.480 3.806 191 HD1 TRP 22 HD1 TRP 22 -6.608 17.020 6.276 192 HE1 TRP 22 HE1 TRP 22 -7.676 16.773 8.604 193 HE3 TRP 22 HE3 TRP 22 -11.519 16.709 4.887 194 HZ2 TRP 22 HZ2 TRP 22 -10.259 16.484 9.706 195 HZ3 TRP 22 HZ3 TRP 22 -13.225 16.448 6.640 196 HH2 TRP 22 HH2 TRP 22 -12.607 16.337 8.999 197 H PHE 23 H PHE 23 -5.887 18.315 3.260 198 HA PHE 23 HA PHE 23 -5.097 19.565 5.716 199 HB2 PHE 23 2HB PHE 23 -3.590 17.930 4.991 200 HB3 PHE 23 3HB PHE 23 -3.631 18.495 3.324 201 HD1 PHE 23 HD1 PHE 23 -2.093 20.088 2.540 202 HD2 PHE 23 HD2 PHE 23 -2.388 19.293 6.711 203 HE1 PHE 23 HE1 PHE 23 -0.046 21.396 2.931 204 HE2 PHE 23 HE2 PHE 23 -0.342 20.600 7.109 205 HZ PHE 23 HZ PHE 23 0.831 21.654 5.218 206 H LYS 24 H LYS 24 -5.555 20.579 2.417 207 HA LYS 24 HA LYS 24 -4.060 22.954 2.448 208 HB2 LYS 24 2HB LYS 24 -4.942 21.962 0.387 209 HB3 LYS 24 3HB LYS 24 -6.585 22.307 0.913 210 HG2 LYS 24 2HG LYS 24 -6.268 24.087 -0.449 211 HG3 LYS 24 3HG LYS 24 -5.622 24.774 1.043 212 HD2 LYS 24 2HD LYS 24 -3.356 23.904 0.270 213 HD3 LYS 24 3HD LYS 24 -4.115 23.643 -1.302 214 HE2 LYS 24 2HE LYS 24 -4.144 26.291 0.132 215 HE3 LYS 24 3HE LYS 24 -2.891 25.831 -1.020 216 HZ1 LYS 24 1HZ LYS 24 -5.130 27.104 -1.696 217 HZ2 LYS 24 2HZ LYS 24 -5.620 25.504 -1.945 218 HZ3 LYS 24 3HZ LYS 24 -4.265 26.110 -2.757 219 H ASN 25 H ASN 25 -7.203 22.168 3.728 220 HA ASN 25 HA ASN 25 -7.997 24.904 4.135 221 HB2 ASN 25 2HB ASN 25 -9.134 22.270 5.079 222 HB3 ASN 25 3HB ASN 25 -9.837 23.826 5.512 223 HD21 ASN 25 1HD2 ASN 25 -9.950 21.324 3.367 224 HD22 ASN 25 2HD2 ASN 25 -10.776 22.104 2.066 225 H LYS 26 H LYS 26 -5.899 22.796 5.696 226 HA LYS 26 HA LYS 26 -6.294 23.967 8.340 227 HB2 LYS 26 2HB LYS 26 -4.194 21.950 7.564 228 HB3 LYS 26 3HB LYS 26 -4.830 22.291 9.168 229 HG2 LYS 26 2HG LYS 26 -6.422 21.078 6.919 230 HG3 LYS 26 3HG LYS 26 -5.643 20.164 8.213 231 HD2 LYS 26 2HD LYS 26 -6.994 21.412 9.862 232 HD3 LYS 26 3HD LYS 26 -7.810 22.241 8.535 233 HE2 LYS 26 2HE LYS 26 -9.297 20.548 8.922 234 HE3 LYS 26 3HE LYS 26 -8.262 19.776 7.722 235 HZ1 LYS 26 1HZ LYS 26 -7.972 19.465 10.661 236 HZ2 LYS 26 2HZ LYS 26 -7.069 18.666 9.475 237 HZ3 LYS 26 3HZ LYS 26 -8.721 18.343 9.640 238 H HIS 27 H HIS 27 -4.084 24.049 5.639 239 HA HIS 27 HA HIS 27 -2.686 26.287 6.908 240 HB2 HIS 27 2HB HIS 27 -1.249 24.012 5.526 241 HB3 HIS 27 3HB HIS 27 -0.503 25.439 6.240 242 HD1 HIS 27 HD1 HIS 27 -2.309 22.275 7.220 243 HD2 HIS 27 HD2 HIS 27 -0.009 25.276 8.942 244 HE1 HIS 27 HE1 HIS 27 -1.817 21.487 9.557 245 H GLY 28 H GLY 28 -3.110 24.380 3.938 246 HA2 GLY 28 2HA GLY 28 -3.875 25.346 1.900 247 HA3 GLY 28 3HA GLY 28 -3.264 26.901 2.443 248 H TYR 29 H TYR 29 -1.345 24.009 2.726 249 HA TYR 29 HA TYR 29 0.305 24.912 0.459 250 HB2 TYR 29 2HB TYR 29 1.152 24.085 3.224 251 HB3 TYR 29 3HB TYR 29 2.258 23.968 1.860 252 HD1 TYR 29 HD1 TYR 29 3.602 25.784 1.359 253 HD2 TYR 29 HD2 TYR 29 -0.003 26.431 3.524 254 HE1 TYR 29 HE1 TYR 29 4.200 28.154 1.635 255 HE2 TYR 29 HE2 TYR 29 0.584 28.803 3.805 256 HH TYR 29 HH TYR 29 2.743 30.384 2.038 257 H TYR 30 H TYR 30 2.128 22.961 0.285 258 HA TYR 30 HA TYR 30 0.780 20.379 0.340 259 HB2 TYR 30 2HB TYR 30 2.045 21.218 -2.246 260 HB3 TYR 30 3HB TYR 30 0.855 19.955 -1.950 261 HD1 TYR 30 HD1 TYR 30 -1.475 20.417 -2.042 262 HD2 TYR 30 HD2 TYR 30 1.332 23.609 -2.237 263 HE1 TYR 30 HE1 TYR 30 -3.277 21.953 -2.705 264 HE2 TYR 30 HE2 TYR 30 -0.463 25.154 -2.900 265 HH TYR 30 HH TYR 30 -2.644 25.143 -3.849 266 HA PRO 31 HA PRO 31 5.469 19.763 -0.658 267 HB2 PRO 31 2HB PRO 31 6.993 21.996 -0.898 268 HB3 PRO 31 3HB PRO 31 6.160 21.250 -2.266 269 HG2 PRO 31 2HG PRO 31 5.351 23.613 -0.617 270 HG3 PRO 31 3HG PRO 31 5.275 23.397 -2.375 271 HD2 PRO 31 2HD PRO 31 3.108 23.111 -0.777 272 HD3 PRO 31 3HD PRO 31 3.327 22.170 -2.266 273 H TRP 32 H TRP 32 7.702 20.734 0.462 274 HA TRP 32 HA TRP 32 7.094 20.608 3.282 275 HB2 TRP 32 2HB TRP 32 9.356 20.141 3.616 276 HB3 TRP 32 3HB TRP 32 9.049 19.453 2.024 277 HD1 TRP 32 HD1 TRP 32 11.093 22.096 3.785 278 HE1 TRP 32 HE1 TRP 32 12.691 23.202 2.098 279 HE3 TRP 32 HE3 TRP 32 9.206 20.119 -0.536 280 HZ2 TRP 32 HZ2 TRP 32 13.098 23.233 -0.696 281 HZ3 TRP 32 HZ3 TRP 32 10.257 20.738 -2.673 282 HH2 TRP 32 HH2 TRP 32 12.162 22.263 -2.749 283 H GLU 33 H GLU 33 6.972 23.072 1.209 284 HA GLU 33 HA GLU 33 8.414 25.048 2.768 285 HB2 GLU 33 2HB GLU 33 6.550 25.568 0.455 286 HB3 GLU 33 3HB GLU 33 7.829 26.610 1.065 287 HG2 GLU 33 2HG GLU 33 9.516 25.108 0.263 288 HG3 GLU 33 3HG GLU 33 8.297 23.922 -0.202 289 H ILE 34 H ILE 34 6.573 23.859 4.371 290 HA ILE 34 HA ILE 34 4.229 25.603 4.459 291 HB ILE 34 HB ILE 34 4.906 23.204 6.165 292 HG12 ILE 34 2HG1 ILE 34 2.684 23.228 4.176 293 HG13 ILE 34 3HG1 ILE 34 4.328 23.052 3.571 294 HG21 ILE 34 1HG2 ILE 34 2.628 23.320 6.953 295 HG22 ILE 34 2HG2 ILE 34 3.435 24.856 7.262 296 HG23 ILE 34 3HG2 ILE 34 2.306 24.709 5.916 297 HD11 ILE 34 1HD1 ILE 34 4.576 20.980 4.456 298 HD12 ILE 34 2HD1 ILE 34 3.496 21.306 5.812 299 HD13 ILE 34 3HD1 ILE 34 2.829 20.976 4.213 300 HA PRO 35 HA PRO 35 6.096 28.203 7.511 301 HB2 PRO 35 2HB PRO 35 3.838 29.484 8.306 302 HB3 PRO 35 3HB PRO 35 4.650 29.829 6.774 303 HG2 PRO 35 2HG PRO 35 2.250 28.119 7.302 304 HG3 PRO 35 3HG PRO 35 2.528 29.284 5.994 305 HD2 PRO 35 2HD PRO 35 2.809 26.613 5.651 306 HD3 PRO 35 3HD PRO 35 3.795 27.797 4.770 307 H ARG 36 H ARG 36 5.171 29.013 9.839 308 HA ARG 36 HA ARG 36 5.190 26.637 11.449 309 HB2 ARG 36 2HB ARG 36 4.791 29.485 12.369 310 HB3 ARG 36 3HB ARG 36 5.336 28.120 13.335 311 HG2 ARG 36 2HG ARG 36 7.364 28.996 12.947 312 HG3 ARG 36 3HG ARG 36 7.225 28.127 11.418 313 HD2 ARG 36 2HD ARG 36 7.472 30.068 10.366 314 HD3 ARG 36 3HD ARG 36 5.911 30.562 11.019 315 HE ARG 36 HE ARG 36 7.001 31.959 12.464 316 HH11 ARG 36 1HH1 ARG 36 9.274 29.653 11.184 317 HH12 ARG 36 2HH1 ARG 36 10.655 30.426 11.890 318 HH21 ARG 36 1HH2 ARG 36 8.811 32.986 13.398 319 HH22 ARG 36 2HH2 ARG 36 10.390 32.321 13.150 320 H CYS 37 H CYS 37 3.623 26.204 13.157 321 HA CYS 37 HA CYS 37 0.910 26.550 12.166 322 HB2 CYS 37 2HB CYS 37 1.857 24.322 12.943 323 HB3 CYS 37 3HB CYS 37 1.780 24.962 14.580 324 HG CYS 37 HG CYS 37 -1.132 25.398 13.129 Start of MODEL 11 1 H MET 1 H MET 1 3.144 -1.338 -1.638 2 HA MET 1 HA MET 1 4.217 -0.482 0.303 3 HB2 MET 1 2HB MET 1 5.863 -2.430 0.154 4 HB3 MET 1 3HB MET 1 6.835 -1.392 -0.880 5 HG2 MET 1 2HG MET 1 6.743 0.299 1.026 6 HG3 MET 1 3HG MET 1 6.151 -1.035 2.014 7 HE1 MET 1 1HE MET 1 8.102 -0.370 3.572 8 HE2 MET 1 2HE MET 1 7.967 -2.128 3.607 9 HE3 MET 1 3HE MET 1 9.556 -1.367 3.518 10 H LYS 2 H LYS 2 3.283 1.009 -1.601 11 HA LYS 2 HA LYS 2 3.469 2.951 -2.776 12 HB2 LYS 2 2HB LYS 2 5.786 3.291 -0.865 13 HB3 LYS 2 3HB LYS 2 5.162 4.574 -1.894 14 HG2 LYS 2 2HG LYS 2 3.769 5.097 -0.255 15 HG3 LYS 2 3HG LYS 2 2.929 3.576 -0.565 16 HD2 LYS 2 2HD LYS 2 4.538 2.467 0.999 17 HD3 LYS 2 3HD LYS 2 5.161 4.068 1.402 18 HE2 LYS 2 2HE LYS 2 3.589 4.151 2.978 19 HE3 LYS 2 3HE LYS 2 2.419 4.331 1.672 20 HZ1 LYS 2 1HZ LYS 2 2.776 2.162 3.459 21 HZ2 LYS 2 2HZ LYS 2 2.934 1.628 1.862 22 HZ3 LYS 2 3HZ LYS 2 1.529 2.434 2.349 23 H PHE 3 H PHE 3 4.125 1.393 -4.559 24 HA PHE 3 HA PHE 3 6.902 1.451 -5.343 25 HB2 PHE 3 2HB PHE 3 4.402 0.232 -6.453 26 HB3 PHE 3 3HB PHE 3 5.818 0.388 -7.488 27 HD1 PHE 3 HD1 PHE 3 5.304 -0.567 -3.916 28 HD2 PHE 3 HD2 PHE 3 6.907 -1.612 -7.718 29 HE1 PHE 3 HE1 PHE 3 6.228 -2.635 -2.954 30 HE2 PHE 3 HE2 PHE 3 7.832 -3.682 -6.763 31 HZ PHE 3 HZ PHE 3 7.492 -4.197 -4.379 32 H LYS 4 H LYS 4 7.455 2.102 -7.630 33 HA LYS 4 HA LYS 4 6.125 4.654 -8.264 34 HB2 LYS 4 2HB LYS 4 8.960 3.926 -8.990 35 HB3 LYS 4 3HB LYS 4 8.210 5.517 -9.018 36 HG2 LYS 4 2HG LYS 4 9.257 5.791 -7.061 37 HG3 LYS 4 3HG LYS 4 7.910 4.856 -6.408 38 HD2 LYS 4 2HD LYS 4 9.810 3.796 -5.552 39 HD3 LYS 4 3HD LYS 4 9.343 2.793 -6.927 40 HE2 LYS 4 2HE LYS 4 11.389 3.051 -7.750 41 HE3 LYS 4 3HE LYS 4 11.056 4.771 -7.945 42 HZ1 LYS 4 1HZ LYS 4 12.140 3.530 -5.475 43 HZ2 LYS 4 2HZ LYS 4 11.908 5.182 -5.749 44 HZ3 LYS 4 3HZ LYS 4 13.069 4.332 -6.639 45 H PHE 5 H PHE 5 7.301 1.621 -9.507 46 HA PHE 5 HA PHE 5 6.771 2.356 -12.265 47 HB2 PHE 5 2HB PHE 5 7.710 -0.215 -10.984 48 HB3 PHE 5 3HB PHE 5 7.431 -0.036 -12.713 49 HD1 PHE 5 HD1 PHE 5 8.632 2.161 -13.713 50 HD2 PHE 5 HD2 PHE 5 9.874 -0.021 -10.277 51 HE1 PHE 5 HE1 PHE 5 10.918 3.027 -13.994 52 HE2 PHE 5 HE2 PHE 5 12.162 0.842 -10.551 53 HZ PHE 5 HZ PHE 5 12.686 2.368 -12.411 54 H ASN 6 H ASN 6 5.310 0.483 -9.689 55 HA ASN 6 HA ASN 6 3.443 -1.007 -11.072 56 HB2 ASN 6 2HB ASN 6 3.685 0.060 -8.340 57 HB3 ASN 6 3HB ASN 6 2.031 -0.274 -8.847 58 HD21 ASN 6 1HD2 ASN 6 1.879 -1.955 -7.348 59 HD22 ASN 6 2HD2 ASN 6 2.647 -3.480 -7.613 60 HA PRO 7 HA PRO 7 0.456 1.710 -12.788 61 HB2 PRO 7 2HB PRO 7 -1.874 0.403 -12.305 62 HB3 PRO 7 3HB PRO 7 -0.692 -0.150 -13.497 63 HG2 PRO 7 2HG PRO 7 -1.143 -1.102 -10.695 64 HG3 PRO 7 3HG PRO 7 -0.840 -2.049 -12.163 65 HD2 PRO 7 2HD PRO 7 1.097 -1.519 -10.347 66 HD3 PRO 7 3HD PRO 7 1.434 -1.684 -12.082 67 H THR 8 H THR 8 -0.170 0.638 -9.485 68 HA THR 8 HA THR 8 -2.196 2.436 -8.807 69 HB THR 8 HB THR 8 -1.350 0.469 -7.428 70 HG1 THR 8 HG1 THR 8 -2.765 2.380 -6.744 71 HG21 THR 8 1HG2 THR 8 1.032 1.164 -7.431 72 HG22 THR 8 2HG2 THR 8 0.395 0.899 -5.807 73 HG23 THR 8 3HG2 THR 8 0.601 2.541 -6.418 74 H GLY 9 H GLY 9 1.136 2.980 -9.405 75 HA2 GLY 9 2HA GLY 9 1.772 5.135 -7.799 76 HA3 GLY 9 3HA GLY 9 2.370 4.918 -9.437 77 H THR 10 H THR 10 -0.057 5.148 -10.830 78 HA THR 10 HA THR 10 -0.304 8.001 -10.897 79 HB THR 10 HB THR 10 -1.906 5.923 -12.402 80 HG1 THR 10 HG1 THR 10 0.437 5.936 -12.751 81 HG21 THR 10 1HG2 THR 10 -3.005 7.598 -13.388 82 HG22 THR 10 2HG2 THR 10 -1.507 8.470 -13.712 83 HG23 THR 10 3HG2 THR 10 -2.327 8.670 -12.164 84 H ILE 11 H ILE 11 -2.572 5.344 -10.198 85 HA ILE 11 HA ILE 11 -4.815 6.860 -9.602 86 HB ILE 11 HB ILE 11 -3.959 4.256 -8.334 87 HG12 ILE 11 2HG1 ILE 11 -6.002 3.741 -10.114 88 HG13 ILE 11 3HG1 ILE 11 -5.072 4.983 -10.944 89 HG21 ILE 11 1HG2 ILE 11 -6.666 5.582 -8.423 90 HG22 ILE 11 2HG2 ILE 11 -6.345 3.955 -7.826 91 HG23 ILE 11 3HG2 ILE 11 -5.660 5.350 -6.994 92 HD11 ILE 11 1HD1 ILE 11 -4.298 2.216 -10.192 93 HD12 ILE 11 2HD1 ILE 11 -4.043 3.094 -11.700 94 HD13 ILE 11 3HD1 ILE 11 -3.048 3.456 -10.290 95 H VAL 12 H VAL 12 -2.398 5.599 -7.300 96 HA VAL 12 HA VAL 12 -3.403 6.748 -4.990 97 HB VAL 12 HB VAL 12 -0.516 6.247 -5.721 98 HG11 VAL 12 1HG1 VAL 12 -0.621 7.826 -3.895 99 HG12 VAL 12 2HG1 VAL 12 -1.771 6.800 -3.034 100 HG13 VAL 12 3HG1 VAL 12 -0.113 6.251 -3.285 101 HG21 VAL 12 1HG2 VAL 12 -2.358 4.370 -5.598 102 HG22 VAL 12 2HG2 VAL 12 -0.751 4.112 -4.920 103 HG23 VAL 12 3HG2 VAL 12 -2.096 4.539 -3.862 104 H LYS 13 H LYS 13 -1.538 8.189 -7.567 105 HA LYS 13 HA LYS 13 -0.907 10.591 -6.131 106 HB2 LYS 13 2HB LYS 13 0.490 10.924 -7.842 107 HB3 LYS 13 3HB LYS 13 -0.062 9.395 -8.513 108 HG2 LYS 13 2HG LYS 13 -1.803 10.572 -9.762 109 HG3 LYS 13 3HG LYS 13 -1.243 12.105 -9.092 110 HD2 LYS 13 2HD LYS 13 0.929 10.604 -10.279 111 HD3 LYS 13 3HD LYS 13 -0.372 10.890 -11.438 112 HE2 LYS 13 2HE LYS 13 -0.289 13.323 -10.573 113 HE3 LYS 13 3HE LYS 13 1.291 12.878 -9.931 114 HZ1 LYS 13 1HZ LYS 13 1.387 13.890 -12.160 115 HZ2 LYS 13 2HZ LYS 13 0.498 12.591 -12.778 116 HZ3 LYS 13 3HZ LYS 13 2.037 12.329 -12.125 117 H LYS 14 H LYS 14 -3.448 9.530 -8.300 118 HA LYS 14 HA LYS 14 -4.582 12.147 -8.640 119 HB2 LYS 14 2HB LYS 14 -5.667 9.391 -9.241 120 HB3 LYS 14 3HB LYS 14 -6.489 10.888 -9.660 121 HG2 LYS 14 2HG LYS 14 -3.826 9.940 -10.693 122 HG3 LYS 14 3HG LYS 14 -5.343 10.039 -11.590 123 HD2 LYS 14 2HD LYS 14 -5.339 12.491 -11.239 124 HD3 LYS 14 3HD LYS 14 -3.766 12.347 -10.452 125 HE2 LYS 14 2HE LYS 14 -3.011 12.784 -12.537 126 HE3 LYS 14 3HE LYS 14 -3.243 11.048 -12.739 127 HZ1 LYS 14 1HZ LYS 14 -4.310 12.919 -14.336 128 HZ2 LYS 14 2HZ LYS 14 -5.591 12.648 -13.265 129 HZ3 LYS 14 3HZ LYS 14 -4.939 11.359 -14.146 130 H LEU 15 H LEU 15 -5.488 9.241 -6.799 131 HA LEU 15 HA LEU 15 -7.805 10.230 -5.617 132 HB2 LEU 15 2HB LEU 15 -5.814 8.141 -4.868 133 HB3 LEU 15 3HB LEU 15 -7.052 8.602 -3.702 134 HG LEU 15 HG LEU 15 -7.489 6.558 -5.176 135 HD11 LEU 15 1HD1 LEU 15 -9.187 8.592 -4.157 136 HD12 LEU 15 2HD1 LEU 15 -9.531 6.877 -4.383 137 HD13 LEU 15 3HD1 LEU 15 -9.859 8.022 -5.684 138 HD21 LEU 15 1HD2 LEU 15 -8.089 8.729 -7.182 139 HD22 LEU 15 2HD2 LEU 15 -8.432 7.009 -7.371 140 HD23 LEU 15 3HD2 LEU 15 -6.762 7.571 -7.287 141 H THR 16 H THR 16 -4.445 10.734 -4.797 142 HA THR 16 HA THR 16 -4.942 11.888 -2.228 143 HB THR 16 HB THR 16 -2.499 12.071 -4.002 144 HG1 THR 16 HG1 THR 16 -3.257 9.957 -3.061 145 HG21 THR 16 1HG2 THR 16 -3.179 13.358 -1.482 146 HG22 THR 16 2HG2 THR 16 -1.832 13.664 -2.578 147 HG23 THR 16 3HG2 THR 16 -1.712 12.386 -1.370 148 H GLN 17 H GLN 17 -4.786 13.081 -5.498 149 HA GLN 17 HA GLN 17 -4.311 15.781 -5.077 150 HB2 GLN 17 2HB GLN 17 -4.827 14.271 -7.258 151 HB3 GLN 17 3HB GLN 17 -6.362 15.116 -7.103 152 HG2 GLN 17 2HG GLN 17 -4.251 16.998 -6.789 153 HG3 GLN 17 3HG GLN 17 -3.953 16.042 -8.240 154 HE21 GLN 17 1HE2 GLN 17 -5.155 16.393 -10.016 155 HE22 GLN 17 2HE2 GLN 17 -6.441 17.543 -10.117 156 H TYR 18 H TYR 18 -7.127 13.891 -4.386 157 HA TYR 18 HA TYR 18 -8.763 16.273 -3.951 158 HB2 TYR 18 2HB TYR 18 -9.469 13.337 -3.780 159 HB3 TYR 18 3HB TYR 18 -10.604 14.665 -3.565 160 HD1 TYR 18 HD1 TYR 18 -11.720 15.566 -5.408 161 HD2 TYR 18 HD2 TYR 18 -8.256 13.178 -6.041 162 HE1 TYR 18 HE1 TYR 18 -12.147 15.599 -7.830 163 HE2 TYR 18 HE2 TYR 18 -8.673 13.205 -8.465 164 HH TYR 18 HH TYR 18 -11.525 14.018 -9.830 165 H GLU 19 H GLU 19 -7.035 13.805 -2.220 166 HA GLU 19 HA GLU 19 -8.285 14.240 0.310 167 HB2 GLU 19 2HB GLU 19 -5.619 12.983 -0.365 168 HB3 GLU 19 3HB GLU 19 -6.395 12.925 1.212 169 HG2 GLU 19 2HG GLU 19 -7.694 11.848 -1.270 170 HG3 GLU 19 3HG GLU 19 -6.635 10.880 -0.247 171 H ILE 20 H ILE 20 -5.426 15.506 -1.307 172 HA ILE 20 HA ILE 20 -4.164 16.784 0.798 173 HB ILE 20 HB ILE 20 -4.409 17.785 -2.041 174 HG12 ILE 20 2HG1 ILE 20 -1.951 16.440 -1.099 175 HG13 ILE 20 3HG1 ILE 20 -3.364 15.404 -1.266 176 HG21 ILE 20 1HG2 ILE 20 -3.260 19.557 -1.360 177 HG22 ILE 20 2HG2 ILE 20 -3.157 18.910 0.277 178 HG23 ILE 20 3HG2 ILE 20 -1.933 18.484 -0.919 179 HD11 ILE 20 1HD1 ILE 20 -2.843 15.224 -3.409 180 HD12 ILE 20 2HD1 ILE 20 -3.321 16.911 -3.595 181 HD13 ILE 20 3HD1 ILE 20 -1.634 16.501 -3.288 182 H ALA 21 H ALA 21 -7.026 17.724 -0.983 183 HA ALA 21 HA ALA 21 -7.250 20.399 -0.360 184 HB1 ALA 21 1HB ALA 21 -9.832 19.248 -0.092 185 HB2 ALA 21 2HB ALA 21 -9.149 20.115 -1.468 186 HB3 ALA 21 3HB ALA 21 -8.961 18.365 -1.346 187 H TRP 22 H TRP 22 -8.232 17.611 1.606 188 HA TRP 22 HA TRP 22 -9.465 18.916 3.702 189 HB2 TRP 22 2HB TRP 22 -9.492 16.514 3.586 190 HB3 TRP 22 3HB TRP 22 -7.737 16.436 3.727 191 HD1 TRP 22 HD1 TRP 22 -6.689 16.990 6.177 192 HE1 TRP 22 HE1 TRP 22 -7.709 16.736 8.527 193 HE3 TRP 22 HE3 TRP 22 -11.625 16.656 4.888 194 HZ2 TRP 22 HZ2 TRP 22 -10.267 16.434 9.681 195 HZ3 TRP 22 HZ3 TRP 22 -13.295 16.385 6.675 196 HH2 TRP 22 HH2 TRP 22 -12.628 16.276 9.021 197 H PHE 23 H PHE 23 -6.007 18.287 3.234 198 HA PHE 23 HA PHE 23 -5.254 19.543 5.698 199 HB2 PHE 23 2HB PHE 23 -3.730 17.913 4.994 200 HB3 PHE 23 3HB PHE 23 -3.753 18.476 3.326 201 HD1 PHE 23 HD1 PHE 23 -2.558 19.282 6.728 202 HD2 PHE 23 HD2 PHE 23 -2.211 20.076 2.561 203 HE1 PHE 23 HE1 PHE 23 -0.522 20.598 7.152 204 HE2 PHE 23 HE2 PHE 23 -0.175 21.393 2.978 205 HZ PHE 23 HZ PHE 23 0.672 21.655 5.275 206 H LYS 24 H LYS 24 -5.674 20.552 2.393 207 HA LYS 24 HA LYS 24 -4.189 22.934 2.440 208 HB2 LYS 24 2HB LYS 24 -5.040 21.936 0.370 209 HB3 LYS 24 3HB LYS 24 -6.691 22.275 0.874 210 HG2 LYS 24 2HG LYS 24 -6.364 24.055 -0.486 211 HG3 LYS 24 3HG LYS 24 -5.739 24.746 1.014 212 HD2 LYS 24 2HD LYS 24 -3.460 23.883 0.271 213 HD3 LYS 24 3HD LYS 24 -4.198 23.619 -1.311 214 HE2 LYS 24 2HE LYS 24 -4.256 26.267 0.121 215 HE3 LYS 24 3HE LYS 24 -2.986 25.812 -1.013 216 HZ1 LYS 24 1HZ LYS 24 -4.295 26.289 -2.722 217 HZ2 LYS 24 2HZ LYS 24 -5.388 26.979 -1.631 218 HZ3 LYS 24 3HZ LYS 24 -5.575 25.367 -2.110 219 H ASN 25 H ASN 25 -7.345 22.135 3.681 220 HA ASN 25 HA ASN 25 -8.155 24.868 4.075 221 HB2 ASN 25 2HB ASN 25 -9.298 22.250 5.067 222 HB3 ASN 25 3HB ASN 25 -10.030 23.821 5.382 223 HD21 ASN 25 1HD2 ASN 25 -10.138 21.199 3.435 224 HD22 ASN 25 2HD2 ASN 25 -10.878 21.897 2.039 225 H LYS 26 H LYS 26 -6.069 22.770 5.665 226 HA LYS 26 HA LYS 26 -6.503 23.942 8.303 227 HB2 LYS 26 2HB LYS 26 -4.385 21.932 7.556 228 HB3 LYS 26 3HB LYS 26 -5.043 22.271 9.151 229 HG2 LYS 26 2HG LYS 26 -6.602 21.050 6.884 230 HG3 LYS 26 3HG LYS 26 -5.836 20.141 8.188 231 HD2 LYS 26 2HD LYS 26 -7.244 21.180 9.825 232 HD3 LYS 26 3HD LYS 26 -7.896 22.299 8.626 233 HE2 LYS 26 2HE LYS 26 -8.402 19.843 7.507 234 HE3 LYS 26 3HE LYS 26 -8.643 19.541 9.227 235 HZ1 LYS 26 1HZ LYS 26 -10.068 21.443 7.476 236 HZ2 LYS 26 2HZ LYS 26 -10.061 21.645 9.155 237 HZ3 LYS 26 3HZ LYS 26 -10.710 20.239 8.475 238 H HIS 27 H HIS 27 -4.258 24.030 5.631 239 HA HIS 27 HA HIS 27 -2.886 26.274 6.916 240 HB2 HIS 27 2HB HIS 27 -1.422 24.004 5.554 241 HB3 HIS 27 3HB HIS 27 -0.691 25.434 6.278 242 HD1 HIS 27 HD1 HIS 27 -2.497 22.264 7.236 243 HD2 HIS 27 HD2 HIS 27 -0.231 25.275 8.986 244 HE1 HIS 27 HE1 HIS 27 -2.033 21.480 9.580 245 H GLY 28 H GLY 28 -3.264 24.363 3.942 246 HA2 GLY 28 2HA GLY 28 -4.006 25.324 1.894 247 HA3 GLY 28 3HA GLY 28 -3.409 26.883 2.443 248 H TYR 29 H TYR 29 -1.482 23.998 2.753 249 HA TYR 29 HA TYR 29 0.194 24.907 0.508 250 HB2 TYR 29 2HB TYR 29 1.008 24.084 3.285 251 HB3 TYR 29 3HB TYR 29 2.132 23.970 1.936 252 HD1 TYR 29 HD1 TYR 29 3.476 25.791 1.452 253 HD2 TYR 29 HD2 TYR 29 -0.160 26.426 3.568 254 HE1 TYR 29 HE1 TYR 29 4.061 28.163 1.734 255 HE2 TYR 29 HE2 TYR 29 0.414 28.800 3.854 256 HH TYR 29 HH TYR 29 1.917 30.499 2.570 257 H TYR 30 H TYR 30 2.027 22.962 0.359 258 HA TYR 30 HA TYR 30 0.688 20.375 0.398 259 HB2 TYR 30 2HB TYR 30 1.984 21.219 -2.172 260 HB3 TYR 30 3HB TYR 30 0.796 19.951 -1.891 261 HD1 TYR 30 HD1 TYR 30 -1.534 20.402 -2.014 262 HD2 TYR 30 HD2 TYR 30 1.261 23.606 -2.174 263 HE1 TYR 30 HE1 TYR 30 -3.335 21.931 -2.702 264 HE2 TYR 30 HE2 TYR 30 -0.532 25.144 -2.860 265 HH TYR 30 HH TYR 30 -2.663 25.264 -3.622 266 HA PRO 31 HA PRO 31 5.392 19.777 -0.538 267 HB2 PRO 31 2HB PRO 31 6.911 22.016 -0.759 268 HB3 PRO 31 3HB PRO 31 6.099 21.266 -2.138 269 HG2 PRO 31 2HG PRO 31 5.259 23.627 -0.500 270 HG3 PRO 31 3HG PRO 31 5.207 23.410 -2.259 271 HD2 PRO 31 2HD PRO 31 3.020 23.115 -0.690 272 HD3 PRO 31 3HD PRO 31 3.263 22.175 -2.176 273 H TRP 32 H TRP 32 7.607 20.757 0.610 274 HA TRP 32 HA TRP 32 6.962 20.629 3.422 275 HB2 TRP 32 2HB TRP 32 9.222 20.171 3.787 276 HB3 TRP 32 3HB TRP 32 8.938 19.482 2.191 277 HD1 TRP 32 HD1 TRP 32 10.948 22.133 3.978 278 HE1 TRP 32 HE1 TRP 32 12.565 23.245 2.312 279 HE3 TRP 32 HE3 TRP 32 9.126 20.149 -0.367 280 HZ2 TRP 32 HZ2 TRP 32 13.008 23.277 -0.476 281 HZ3 TRP 32 HZ3 TRP 32 10.202 20.772 -2.490 282 HH2 TRP 32 HH2 TRP 32 12.103 22.304 -2.541 283 H GLU 33 H GLU 33 6.858 23.093 1.347 284 HA GLU 33 HA GLU 33 8.271 25.075 2.925 285 HB2 GLU 33 2HB GLU 33 6.437 25.587 0.587 286 HB3 GLU 33 3HB GLU 33 7.703 26.633 1.213 287 HG2 GLU 33 2HG GLU 33 9.406 25.138 0.435 288 HG3 GLU 33 3HG GLU 33 8.199 23.947 -0.046 289 H ILE 34 H ILE 34 6.414 23.879 4.504 290 HA ILE 34 HA ILE 34 4.062 25.614 4.559 291 HB ILE 34 HB ILE 34 4.726 23.219 6.275 292 HG12 ILE 34 2HG1 ILE 34 2.531 23.233 4.257 293 HG13 ILE 34 3HG1 ILE 34 4.184 23.063 3.674 294 HG21 ILE 34 1HG2 ILE 34 3.234 24.867 7.351 295 HG22 ILE 34 2HG2 ILE 34 2.124 24.713 5.990 296 HG23 ILE 34 3HG2 ILE 34 2.437 23.326 7.033 297 HD11 ILE 34 1HD1 ILE 34 2.872 20.938 4.122 298 HD12 ILE 34 2HD1 ILE 34 4.490 21.045 4.815 299 HD13 ILE 34 3HD1 ILE 34 3.075 21.307 5.834 300 HA PRO 35 HA PRO 35 5.879 28.222 7.635 301 HB2 PRO 35 2HB PRO 35 3.605 29.495 8.398 302 HB3 PRO 35 3HB PRO 35 4.437 29.843 6.878 303 HG2 PRO 35 2HG PRO 35 2.036 28.124 7.374 304 HG3 PRO 35 3HG PRO 35 2.328 29.289 6.070 305 HD2 PRO 35 2HD PRO 35 2.623 26.619 5.731 306 HD3 PRO 35 3HD PRO 35 3.616 27.807 4.864 307 H ARG 36 H ARG 36 4.910 29.032 9.949 308 HA ARG 36 HA ARG 36 3.607 26.945 11.438 309 HB2 ARG 36 2HB ARG 36 5.521 26.626 13.017 310 HB3 ARG 36 3HB ARG 36 5.792 25.960 11.412 311 HG2 ARG 36 2HG ARG 36 6.747 28.636 11.438 312 HG3 ARG 36 3HG ARG 36 7.388 27.794 12.851 313 HD2 ARG 36 2HD ARG 36 7.741 25.909 10.948 314 HD3 ARG 36 3HD ARG 36 7.922 27.375 9.985 315 HE ARG 36 HE ARG 36 9.787 26.330 11.853 316 HH11 ARG 36 1HH1 ARG 36 8.506 29.310 10.590 317 HH12 ARG 36 2HH1 ARG 36 9.942 30.221 10.924 318 HH21 ARG 36 1HH2 ARG 36 11.683 27.518 12.298 319 HH22 ARG 36 2HH2 ARG 36 11.749 29.200 11.895 320 H CYS 37 H CYS 37 3.398 27.528 13.761 321 HA CYS 37 HA CYS 37 3.125 30.434 14.008 322 HB2 CYS 37 2HB CYS 37 1.726 28.087 15.182 323 HB3 CYS 37 3HB CYS 37 1.842 29.532 16.180 324 HG CYS 37 HG CYS 37 -0.329 28.871 13.881 Start of MODEL 12 1 H MET 1 H MET 1 6.835 -1.262 0.410 2 HA MET 1 HA MET 1 4.311 -0.884 -0.817 3 HB2 MET 1 2HB MET 1 4.780 -0.858 1.658 4 HB3 MET 1 3HB MET 1 5.486 0.738 1.444 5 HG2 MET 1 2HG MET 1 3.439 1.709 0.913 6 HG3 MET 1 3HG MET 1 2.692 0.155 0.549 7 HE1 MET 1 1HE MET 1 1.150 -1.107 2.379 8 HE2 MET 1 2HE MET 1 2.789 -1.756 2.450 9 HE3 MET 1 3HE MET 1 1.921 -1.387 3.941 10 H LYS 2 H LYS 2 3.367 1.005 -1.652 11 HA LYS 2 HA LYS 2 3.301 2.826 -3.017 12 HB2 LYS 2 2HB LYS 2 5.613 3.755 -1.303 13 HB3 LYS 2 3HB LYS 2 4.593 4.776 -2.309 14 HG2 LYS 2 2HG LYS 2 2.918 3.292 -0.557 15 HG3 LYS 2 3HG LYS 2 4.217 4.022 0.389 16 HD2 LYS 2 2HD LYS 2 3.614 6.184 -0.218 17 HD3 LYS 2 3HD LYS 2 2.722 5.639 -1.641 18 HE2 LYS 2 2HE LYS 2 0.841 5.609 -0.464 19 HE3 LYS 2 3HE LYS 2 1.549 4.452 0.662 20 HZ1 LYS 2 1HZ LYS 2 2.555 6.390 1.827 21 HZ2 LYS 2 2HZ LYS 2 0.866 6.343 1.896 22 HZ3 LYS 2 3HZ LYS 2 1.639 7.412 0.837 23 H PHE 3 H PHE 3 4.128 1.249 -4.665 24 HA PHE 3 HA PHE 3 6.878 1.372 -5.434 25 HB2 PHE 3 2HB PHE 3 4.393 0.181 -6.602 26 HB3 PHE 3 3HB PHE 3 5.826 0.334 -7.613 27 HD1 PHE 3 HD1 PHE 3 5.274 -0.626 -4.048 28 HD2 PHE 3 HD2 PHE 3 6.880 -1.685 -7.845 29 HE1 PHE 3 HE1 PHE 3 6.169 -2.707 -3.086 30 HE2 PHE 3 HE2 PHE 3 7.776 -3.767 -6.889 31 HZ PHE 3 HZ PHE 3 7.420 -4.281 -4.507 32 H LYS 4 H LYS 4 7.393 1.944 -7.807 33 HA LYS 4 HA LYS 4 6.166 4.556 -8.411 34 HB2 LYS 4 2HB LYS 4 8.981 3.721 -9.111 35 HB3 LYS 4 3HB LYS 4 8.284 5.333 -9.211 36 HG2 LYS 4 2HG LYS 4 9.350 5.629 -7.260 37 HG3 LYS 4 3HG LYS 4 7.928 4.825 -6.590 38 HD2 LYS 4 2HD LYS 4 9.129 2.660 -6.778 39 HD3 LYS 4 3HD LYS 4 10.562 3.540 -7.313 40 HE2 LYS 4 2HE LYS 4 9.685 4.804 -4.960 41 HE3 LYS 4 3HE LYS 4 9.604 3.070 -4.650 42 HZ1 LYS 4 1HZ LYS 4 11.945 4.725 -5.318 43 HZ2 LYS 4 2HZ LYS 4 11.954 3.074 -5.683 44 HZ3 LYS 4 3HZ LYS 4 11.760 3.584 -4.082 45 H PHE 5 H PHE 5 7.278 1.498 -9.670 46 HA PHE 5 HA PHE 5 6.718 2.252 -12.418 47 HB2 PHE 5 2HB PHE 5 7.591 -0.384 -11.218 48 HB3 PHE 5 3HB PHE 5 7.422 -0.069 -12.941 49 HD1 PHE 5 HD1 PHE 5 9.679 -0.206 -10.295 50 HD2 PHE 5 HD2 PHE 5 8.761 2.071 -13.771 51 HE1 PHE 5 HE1 PHE 5 11.997 0.616 -10.365 52 HE2 PHE 5 HE2 PHE 5 11.077 2.896 -13.848 53 HZ PHE 5 HZ PHE 5 12.699 2.168 -12.143 54 H ASN 6 H ASN 6 5.280 0.387 -9.826 55 HA ASN 6 HA ASN 6 3.390 -1.096 -11.189 56 HB2 ASN 6 2HB ASN 6 3.672 -0.035 -8.457 57 HB3 ASN 6 3HB ASN 6 2.012 -0.368 -8.942 58 HD21 ASN 6 1HD2 ASN 6 5.238 -1.830 -8.989 59 HD22 ASN 6 2HD2 ASN 6 4.700 -3.441 -8.670 60 HA PRO 7 HA PRO 7 0.391 1.639 -12.853 61 HB2 PRO 7 2HB PRO 7 -1.938 0.341 -12.340 62 HB3 PRO 7 3HB PRO 7 -0.775 -0.214 -13.551 63 HG2 PRO 7 2HG PRO 7 -1.190 -1.171 -10.745 64 HG3 PRO 7 3HG PRO 7 -0.913 -2.116 -12.220 65 HD2 PRO 7 2HD PRO 7 1.052 -1.600 -10.430 66 HD3 PRO 7 3HD PRO 7 1.364 -1.761 -12.171 67 H THR 8 H THR 8 -0.195 0.559 -9.545 68 HA THR 8 HA THR 8 -2.201 2.367 -8.833 69 HB THR 8 HB THR 8 -1.349 0.390 -7.474 70 HG1 THR 8 HG1 THR 8 -1.834 1.539 -5.478 71 HG21 THR 8 1HG2 THR 8 0.420 0.804 -5.874 72 HG22 THR 8 2HG2 THR 8 0.629 2.446 -6.482 73 HG23 THR 8 3HG2 THR 8 1.036 1.068 -7.505 74 H GLY 9 H GLY 9 1.125 2.894 -9.474 75 HA2 GLY 9 2HA GLY 9 1.796 5.038 -7.869 76 HA3 GLY 9 3HA GLY 9 2.371 4.824 -9.516 77 H THR 10 H THR 10 -0.072 5.074 -10.877 78 HA THR 10 HA THR 10 -0.304 7.929 -10.928 79 HB THR 10 HB THR 10 -1.937 5.867 -12.421 80 HG1 THR 10 HG1 THR 10 -0.176 5.628 -13.555 81 HG21 THR 10 1HG2 THR 10 -2.341 8.614 -12.166 82 HG22 THR 10 2HG2 THR 10 -3.036 7.552 -13.390 83 HG23 THR 10 3HG2 THR 10 -1.537 8.418 -13.723 84 H ILE 11 H ILE 11 -2.578 5.282 -10.210 85 HA ILE 11 HA ILE 11 -4.804 6.808 -9.580 86 HB ILE 11 HB ILE 11 -3.947 4.195 -8.333 87 HG12 ILE 11 2HG1 ILE 11 -6.016 3.698 -10.086 88 HG13 ILE 11 3HG1 ILE 11 -5.093 4.940 -10.925 89 HG21 ILE 11 1HG2 ILE 11 -6.327 3.905 -7.793 90 HG22 ILE 11 2HG2 ILE 11 -5.620 5.291 -6.964 91 HG23 ILE 11 3HG2 ILE 11 -6.646 5.538 -8.378 92 HD11 ILE 11 1HD1 ILE 11 -4.324 2.165 -10.203 93 HD12 ILE 11 2HD1 ILE 11 -4.078 3.056 -11.705 94 HD13 ILE 11 3HD1 ILE 11 -3.067 3.397 -10.301 95 H VAL 12 H VAL 12 -2.366 5.524 -7.314 96 HA VAL 12 HA VAL 12 -3.334 6.671 -4.986 97 HB VAL 12 HB VAL 12 -0.459 6.154 -5.757 98 HG11 VAL 12 1HG1 VAL 12 -0.026 6.147 -3.325 99 HG12 VAL 12 2HG1 VAL 12 -0.531 7.728 -3.924 100 HG13 VAL 12 3HG1 VAL 12 -1.676 6.707 -3.053 101 HG21 VAL 12 1HG2 VAL 12 -0.724 4.010 -5.077 102 HG22 VAL 12 2HG2 VAL 12 -1.912 4.431 -3.843 103 HG23 VAL 12 3HG2 VAL 12 -2.400 4.317 -5.534 104 H LYS 13 H LYS 13 -1.493 8.110 -7.582 105 HA LYS 13 HA LYS 13 -0.828 10.503 -6.146 106 HB2 LYS 13 2HB LYS 13 0.549 10.834 -7.873 107 HB3 LYS 13 3HB LYS 13 -0.022 9.311 -8.543 108 HG2 LYS 13 2HG LYS 13 -1.771 10.503 -9.765 109 HG3 LYS 13 3HG LYS 13 -1.193 12.031 -9.096 110 HD2 LYS 13 2HD LYS 13 0.868 10.398 -10.406 111 HD3 LYS 13 3HD LYS 13 -0.404 10.988 -11.480 112 HE2 LYS 13 2HE LYS 13 0.021 13.267 -10.333 113 HE3 LYS 13 3HE LYS 13 1.543 12.544 -9.816 114 HZ1 LYS 13 1HZ LYS 13 1.713 11.952 -12.335 115 HZ2 LYS 13 2HZ LYS 13 2.152 13.490 -11.787 116 HZ3 LYS 13 3HZ LYS 13 0.645 13.251 -12.517 117 H LYS 14 H LYS 14 -3.405 9.466 -8.285 118 HA LYS 14 HA LYS 14 -4.526 12.091 -8.600 119 HB2 LYS 14 2HB LYS 14 -5.636 9.344 -9.197 120 HB3 LYS 14 3HB LYS 14 -6.454 10.847 -9.600 121 HG2 LYS 14 2HG LYS 14 -3.810 9.887 -10.671 122 HG3 LYS 14 3HG LYS 14 -5.339 9.998 -11.547 123 HD2 LYS 14 2HD LYS 14 -5.316 12.449 -11.188 124 HD3 LYS 14 3HD LYS 14 -3.733 12.293 -10.422 125 HE2 LYS 14 2HE LYS 14 -2.935 12.661 -12.486 126 HE3 LYS 14 3HE LYS 14 -3.336 10.968 -12.765 127 HZ1 LYS 14 1HZ LYS 14 -5.019 11.507 -14.118 128 HZ2 LYS 14 2HZ LYS 14 -4.240 13.002 -14.254 129 HZ3 LYS 14 3HZ LYS 14 -5.523 12.814 -13.169 130 H LEU 15 H LEU 15 -5.427 9.184 -6.759 131 HA LEU 15 HA LEU 15 -7.723 10.181 -5.543 132 HB2 LEU 15 2HB LEU 15 -5.732 8.080 -4.826 133 HB3 LEU 15 3HB LEU 15 -6.952 8.544 -3.642 134 HG LEU 15 HG LEU 15 -7.417 6.506 -5.119 135 HD11 LEU 15 1HD1 LEU 15 -9.270 7.066 -3.948 136 HD12 LEU 15 2HD1 LEU 15 -9.844 7.532 -5.549 137 HD13 LEU 15 3HD1 LEU 15 -9.213 8.756 -4.447 138 HD21 LEU 15 1HD2 LEU 15 -8.389 6.969 -7.297 139 HD22 LEU 15 2HD2 LEU 15 -6.717 7.528 -7.236 140 HD23 LEU 15 3HD2 LEU 15 -8.040 8.688 -7.106 141 H THR 16 H THR 16 -4.349 10.665 -4.765 142 HA THR 16 HA THR 16 -4.806 11.815 -2.187 143 HB THR 16 HB THR 16 -2.386 11.994 -3.992 144 HG1 THR 16 HG1 THR 16 -1.607 10.323 -2.673 145 HG21 THR 16 1HG2 THR 16 -1.560 12.292 -1.370 146 HG22 THR 16 2HG2 THR 16 -3.027 13.268 -1.455 147 HG23 THR 16 3HG2 THR 16 -1.696 13.578 -2.569 148 H GLN 17 H GLN 17 -4.688 13.016 -5.455 149 HA GLN 17 HA GLN 17 -4.195 15.714 -5.032 150 HB2 GLN 17 2HB GLN 17 -4.633 14.290 -7.224 151 HB3 GLN 17 3HB GLN 17 -6.262 14.925 -7.035 152 HG2 GLN 17 2HG GLN 17 -5.672 16.978 -7.689 153 HG3 GLN 17 3HG GLN 17 -4.159 16.940 -6.785 154 HE21 GLN 17 1HE2 GLN 17 -2.387 15.704 -7.735 155 HE22 GLN 17 2HE2 GLN 17 -2.239 15.649 -9.455 156 H TYR 18 H TYR 18 -7.011 13.834 -4.311 157 HA TYR 18 HA TYR 18 -8.630 16.222 -3.848 158 HB2 TYR 18 2HB TYR 18 -9.347 13.288 -3.677 159 HB3 TYR 18 3HB TYR 18 -10.473 14.620 -3.442 160 HD1 TYR 18 HD1 TYR 18 -8.165 13.134 -5.955 161 HD2 TYR 18 HD2 TYR 18 -11.608 15.536 -5.266 162 HE1 TYR 18 HE1 TYR 18 -8.614 13.171 -8.373 163 HE2 TYR 18 HE2 TYR 18 -12.068 15.579 -7.682 164 HH TYR 18 HH TYR 18 -10.659 13.502 -9.860 165 H GLU 19 H GLU 19 -6.891 13.741 -2.146 166 HA GLU 19 HA GLU 19 -8.107 14.173 0.401 167 HB2 GLU 19 2HB GLU 19 -5.454 12.908 -0.311 168 HB3 GLU 19 3HB GLU 19 -6.212 12.846 1.275 169 HG2 GLU 19 2HG GLU 19 -7.550 11.789 -1.194 170 HG3 GLU 19 3HG GLU 19 -6.474 10.810 -0.199 171 H ILE 20 H ILE 20 -5.264 15.433 -1.249 172 HA ILE 20 HA ILE 20 -3.970 16.699 0.844 173 HB ILE 20 HB ILE 20 -4.249 17.711 -1.989 174 HG12 ILE 20 2HG1 ILE 20 -1.783 16.354 -1.084 175 HG13 ILE 20 3HG1 ILE 20 -3.202 15.324 -1.236 176 HG21 ILE 20 1HG2 ILE 20 -3.085 19.477 -1.316 177 HG22 ILE 20 2HG2 ILE 20 -2.962 18.823 0.316 178 HG23 ILE 20 3HG2 ILE 20 -1.755 18.397 -0.898 179 HD11 ILE 20 1HD1 ILE 20 -1.502 16.441 -3.280 180 HD12 ILE 20 2HD1 ILE 20 -2.694 15.146 -3.383 181 HD13 ILE 20 3HD1 ILE 20 -3.200 16.826 -3.561 182 H ALA 21 H ALA 21 -6.852 17.656 -0.896 183 HA ALA 21 HA ALA 21 -7.057 20.330 -0.260 184 HB1 ALA 21 1HB ALA 21 -9.103 18.184 -0.651 185 HB2 ALA 21 2HB ALA 21 -9.595 19.815 -0.196 186 HB3 ALA 21 3HB ALA 21 -8.700 19.550 -1.692 187 H TRP 22 H TRP 22 -8.023 17.539 1.708 188 HA TRP 22 HA TRP 22 -9.223 18.840 3.825 189 HB2 TRP 22 2HB TRP 22 -9.226 16.421 3.654 190 HB3 TRP 22 3HB TRP 22 -7.479 16.369 3.871 191 HD1 TRP 22 HD1 TRP 22 -6.544 16.917 6.362 192 HE1 TRP 22 HE1 TRP 22 -7.660 16.657 8.666 193 HE3 TRP 22 HE3 TRP 22 -11.419 16.561 4.866 194 HZ2 TRP 22 HZ2 TRP 22 -10.263 16.342 9.712 195 HZ3 TRP 22 HZ3 TRP 22 -13.161 16.281 6.580 196 HH2 TRP 22 HH2 TRP 22 -12.594 16.173 8.953 197 H PHE 23 H PHE 23 -5.775 18.200 3.309 198 HA PHE 23 HA PHE 23 -4.984 19.443 5.768 199 HB2 PHE 23 2HB PHE 23 -3.476 17.810 5.037 200 HB3 PHE 23 3HB PHE 23 -3.519 18.380 3.372 201 HD1 PHE 23 HD1 PHE 23 -1.980 19.974 2.592 202 HD2 PHE 23 HD2 PHE 23 -2.275 19.170 6.761 203 HE1 PHE 23 HE1 PHE 23 0.067 21.281 2.985 204 HE2 PHE 23 HE2 PHE 23 -0.229 20.476 7.161 205 HZ PHE 23 HZ PHE 23 0.944 21.535 5.272 206 H LYS 24 H LYS 24 -5.444 20.466 2.473 207 HA LYS 24 HA LYS 24 -3.949 22.842 2.509 208 HB2 LYS 24 2HB LYS 24 -4.832 21.855 0.447 209 HB3 LYS 24 3HB LYS 24 -6.474 22.199 0.974 210 HG2 LYS 24 2HG LYS 24 -6.159 23.983 -0.383 211 HG3 LYS 24 3HG LYS 24 -5.512 24.666 1.111 212 HD2 LYS 24 2HD LYS 24 -3.246 23.798 0.334 213 HD3 LYS 24 3HD LYS 24 -4.005 23.543 -1.239 214 HE2 LYS 24 2HE LYS 24 -4.034 26.185 0.204 215 HE3 LYS 24 3HE LYS 24 -2.782 25.729 -0.950 216 HZ1 LYS 24 1HZ LYS 24 -5.642 26.248 -1.437 217 HZ2 LYS 24 2HZ LYS 24 -4.755 25.286 -2.509 218 HZ3 LYS 24 3HZ LYS 24 -4.293 26.890 -2.232 219 H ASN 25 H ASN 25 -7.091 22.051 3.789 220 HA ASN 25 HA ASN 25 -7.885 24.786 4.205 221 HB2 ASN 25 2HB ASN 25 -9.023 22.160 5.177 222 HB3 ASN 25 3HB ASN 25 -9.737 23.725 5.553 223 HD21 ASN 25 1HD2 ASN 25 -9.998 21.162 3.589 224 HD22 ASN 25 2HD2 ASN 25 -10.734 21.901 2.211 225 H LYS 26 H LYS 26 -5.785 22.674 5.758 226 HA LYS 26 HA LYS 26 -6.180 23.836 8.406 227 HB2 LYS 26 2HB LYS 26 -4.078 21.823 7.623 228 HB3 LYS 26 3HB LYS 26 -4.715 22.157 9.228 229 HG2 LYS 26 2HG LYS 26 -6.304 20.949 6.974 230 HG3 LYS 26 3HG LYS 26 -5.527 20.034 8.268 231 HD2 LYS 26 2HD LYS 26 -6.911 21.089 9.923 232 HD3 LYS 26 3HD LYS 26 -7.585 22.192 8.721 233 HE2 LYS 26 2HE LYS 26 -9.192 20.723 8.293 234 HE3 LYS 26 3HE LYS 26 -7.977 19.558 7.769 235 HZ1 LYS 26 1HZ LYS 26 -9.462 19.688 10.247 236 HZ2 LYS 26 2HZ LYS 26 -7.817 19.343 10.432 237 HZ3 LYS 26 3HZ LYS 26 -8.784 18.353 9.459 238 H HIS 27 H HIS 27 -3.971 23.928 5.704 239 HA HIS 27 HA HIS 27 -2.574 26.163 6.979 240 HB2 HIS 27 2HB HIS 27 -1.136 23.893 5.590 241 HB3 HIS 27 3HB HIS 27 -0.391 25.317 6.308 242 HD1 HIS 27 HD1 HIS 27 -2.194 22.150 7.279 243 HD2 HIS 27 HD2 HIS 27 0.105 25.146 9.010 244 HE1 HIS 27 HE1 HIS 27 -1.701 21.355 9.613 245 H GLY 28 H GLY 28 -2.998 24.264 4.004 246 HA2 GLY 28 2HA GLY 28 -3.765 25.236 1.969 247 HA3 GLY 28 3HA GLY 28 -3.154 26.790 2.516 248 H TYR 29 H TYR 29 -1.234 23.897 2.790 249 HA TYR 29 HA TYR 29 0.415 24.808 0.525 250 HB2 TYR 29 2HB TYR 29 1.263 23.972 3.287 251 HB3 TYR 29 3HB TYR 29 2.369 23.859 1.922 252 HD1 TYR 29 HD1 TYR 29 3.713 25.676 1.427 253 HD2 TYR 29 HD2 TYR 29 0.108 26.317 3.595 254 HE1 TYR 29 HE1 TYR 29 4.311 28.045 1.710 255 HE2 TYR 29 HE2 TYR 29 0.695 28.688 3.882 256 HH TYR 29 HH TYR 29 2.203 30.269 3.511 257 H TYR 30 H TYR 30 2.238 22.857 0.343 258 HA TYR 30 HA TYR 30 0.890 20.275 0.391 259 HB2 TYR 30 2HB TYR 30 2.154 21.123 -2.193 260 HB3 TYR 30 3HB TYR 30 0.965 19.859 -1.900 261 HD1 TYR 30 HD1 TYR 30 -1.365 20.320 -1.991 262 HD2 TYR 30 HD2 TYR 30 1.441 23.513 -2.176 263 HE1 TYR 30 HE1 TYR 30 -3.168 21.858 -2.648 264 HE2 TYR 30 HE2 TYR 30 -0.355 25.060 -2.833 265 HH TYR 30 HH TYR 30 -3.200 24.176 -4.020 266 HA PRO 31 HA PRO 31 5.579 19.662 -0.610 267 HB2 PRO 31 2HB PRO 31 7.103 21.896 -0.844 268 HB3 PRO 31 3HB PRO 31 6.270 21.154 -2.215 269 HG2 PRO 31 2HG PRO 31 5.461 23.512 -0.557 270 HG3 PRO 31 3HG PRO 31 5.384 23.302 -2.316 271 HD2 PRO 31 2HD PRO 31 3.218 23.010 -0.718 272 HD3 PRO 31 3HD PRO 31 3.436 22.074 -2.211 273 H TRP 32 H TRP 32 7.812 20.629 0.511 274 HA TRP 32 HA TRP 32 7.205 20.494 3.331 275 HB2 TRP 32 2HB TRP 32 9.468 20.026 3.663 276 HB3 TRP 32 3HB TRP 32 9.159 19.342 2.070 277 HD1 TRP 32 HD1 TRP 32 11.205 21.980 3.836 278 HE1 TRP 32 HE1 TRP 32 12.802 23.090 2.151 279 HE3 TRP 32 HE3 TRP 32 9.315 20.016 -0.489 280 HZ2 TRP 32 HZ2 TRP 32 13.207 23.129 -0.642 281 HZ3 TRP 32 HZ3 TRP 32 10.364 20.641 -2.625 282 HH2 TRP 32 HH2 TRP 32 12.269 22.166 -2.698 283 H GLU 33 H GLU 33 7.083 22.965 1.266 284 HA GLU 33 HA GLU 33 8.525 24.936 2.831 285 HB2 GLU 33 2HB GLU 33 6.661 25.463 0.520 286 HB3 GLU 33 3HB GLU 33 7.940 26.503 1.133 287 HG2 GLU 33 2HG GLU 33 9.626 25.003 0.326 288 HG3 GLU 33 3HG GLU 33 8.407 23.819 -0.143 289 H ILE 34 H ILE 34 6.686 23.742 4.431 290 HA ILE 34 HA ILE 34 4.341 25.486 4.525 291 HB ILE 34 HB ILE 34 5.019 23.082 6.224 292 HG12 ILE 34 2HG1 ILE 34 2.797 23.112 4.236 293 HG13 ILE 34 3HG1 ILE 34 4.440 22.938 3.629 294 HG21 ILE 34 1HG2 ILE 34 2.741 23.195 7.013 295 HG22 ILE 34 2HG2 ILE 34 3.549 24.731 7.326 296 HG23 ILE 34 3HG2 ILE 34 2.419 24.587 5.980 297 HD11 ILE 34 1HD1 ILE 34 4.715 20.878 4.580 298 HD12 ILE 34 2HD1 ILE 34 3.532 21.184 5.852 299 HD13 ILE 34 3HD1 ILE 34 2.992 20.846 4.208 300 HA PRO 35 HA PRO 35 6.210 28.076 7.585 301 HB2 PRO 35 2HB PRO 35 3.952 29.355 8.384 302 HB3 PRO 35 3HB PRO 35 4.764 29.705 6.853 303 HG2 PRO 35 2HG PRO 35 2.364 27.994 7.377 304 HG3 PRO 35 3HG PRO 35 2.642 29.162 6.072 305 HD2 PRO 35 2HD PRO 35 2.922 26.492 5.721 306 HD3 PRO 35 3HD PRO 35 3.908 27.679 4.843 307 H ARG 36 H ARG 36 5.282 28.880 9.915 308 HA ARG 36 HA ARG 36 5.406 26.560 11.555 309 HB2 ARG 36 2HB ARG 36 4.679 29.377 12.375 310 HB3 ARG 36 3HB ARG 36 5.258 28.091 13.425 311 HG2 ARG 36 2HG ARG 36 7.249 29.068 13.149 312 HG3 ARG 36 3HG ARG 36 7.262 28.220 11.602 313 HD2 ARG 36 2HD ARG 36 7.525 30.231 10.669 314 HD3 ARG 36 3HD ARG 36 5.826 30.502 11.053 315 HE ARG 36 HE ARG 36 7.185 31.214 13.321 316 HH11 ARG 36 1HH1 ARG 36 7.260 32.169 9.974 317 HH12 ARG 36 2HH1 ARG 36 7.759 33.793 10.313 318 HH21 ARG 36 1HH2 ARG 36 7.841 33.349 13.781 319 HH22 ARG 36 2HH2 ARG 36 8.090 34.463 12.479 320 H CYS 37 H CYS 37 3.829 26.006 13.234 321 HA CYS 37 HA CYS 37 1.267 25.557 12.150 322 HB2 CYS 37 2HB CYS 37 2.225 25.340 15.012 323 HB3 CYS 37 3HB CYS 37 0.697 24.706 14.412 324 HG CYS 37 HG CYS 37 1.755 22.735 12.859 Start of MODEL 13 1 H MET 1 H MET 1 5.482 -2.125 -0.834 2 HA MET 1 HA MET 1 4.214 -0.239 -0.124 3 HB2 MET 1 2HB MET 1 7.102 0.324 0.572 4 HB3 MET 1 3HB MET 1 5.694 0.945 1.422 5 HG2 MET 1 2HG MET 1 5.255 -1.745 1.492 6 HG3 MET 1 3HG MET 1 7.011 -1.652 1.607 7 HE1 MET 1 1HE MET 1 7.652 0.804 4.238 8 HE2 MET 1 2HE MET 1 8.038 -0.871 4.630 9 HE3 MET 1 3HE MET 1 8.233 -0.284 2.978 10 H LYS 2 H LYS 2 3.385 1.005 -1.758 11 HA LYS 2 HA LYS 2 3.122 2.808 -3.119 12 HB2 LYS 2 2HB LYS 2 5.445 3.983 -1.585 13 HB3 LYS 2 3HB LYS 2 4.235 4.867 -2.505 14 HG2 LYS 2 2HG LYS 2 2.613 3.601 -0.814 15 HG3 LYS 2 3HG LYS 2 4.066 3.656 0.186 16 HD2 LYS 2 2HD LYS 2 4.075 5.962 0.278 17 HD3 LYS 2 3HD LYS 2 3.156 6.129 -1.220 18 HE2 LYS 2 2HE LYS 2 1.485 4.740 0.543 19 HE3 LYS 2 3HE LYS 2 2.223 6.021 1.503 20 HZ1 LYS 2 1HZ LYS 2 0.870 7.476 0.560 21 HZ2 LYS 2 2HZ LYS 2 0.131 6.239 -0.325 22 HZ3 LYS 2 3HZ LYS 2 1.446 7.077 -0.980 23 H PHE 3 H PHE 3 4.201 1.002 -4.556 24 HA PHE 3 HA PHE 3 6.816 1.271 -5.485 25 HB2 PHE 3 2HB PHE 3 4.304 0.126 -6.640 26 HB3 PHE 3 3HB PHE 3 5.727 0.279 -7.665 27 HD1 PHE 3 HD1 PHE 3 6.811 -1.718 -7.926 28 HD2 PHE 3 HD2 PHE 3 5.147 -0.764 -4.126 29 HE1 PHE 3 HE1 PHE 3 7.693 -3.826 -7.014 30 HE2 PHE 3 HE2 PHE 3 6.028 -2.869 -3.208 31 HZ PHE 3 HZ PHE 3 7.303 -4.403 -4.651 32 H LYS 4 H LYS 4 7.366 1.920 -7.797 33 HA LYS 4 HA LYS 4 6.123 4.529 -8.374 34 HB2 LYS 4 2HB LYS 4 8.948 3.709 -9.054 35 HB3 LYS 4 3HB LYS 4 8.248 5.319 -9.160 36 HG2 LYS 4 2HG LYS 4 9.272 5.621 -7.191 37 HG3 LYS 4 3HG LYS 4 7.858 4.787 -6.542 38 HD2 LYS 4 2HD LYS 4 9.123 2.638 -6.789 39 HD3 LYS 4 3HD LYS 4 10.547 3.594 -7.207 40 HE2 LYS 4 2HE LYS 4 9.606 4.771 -4.884 41 HE3 LYS 4 3HE LYS 4 9.366 3.046 -4.611 42 HZ1 LYS 4 1HZ LYS 4 11.937 4.024 -5.659 43 HZ2 LYS 4 2HZ LYS 4 11.608 2.619 -4.776 44 HZ3 LYS 4 3HZ LYS 4 11.613 4.123 -4.002 45 H PHE 5 H PHE 5 7.183 1.478 -9.659 46 HA PHE 5 HA PHE 5 6.673 2.283 -12.406 47 HB2 PHE 5 2HB PHE 5 7.535 -0.363 -11.222 48 HB3 PHE 5 3HB PHE 5 7.344 -0.056 -12.945 49 HD1 PHE 5 HD1 PHE 5 9.706 -0.415 -10.523 50 HD2 PHE 5 HD2 PHE 5 8.607 2.305 -13.607 51 HE1 PHE 5 HE1 PHE 5 12.026 0.399 -10.627 52 HE2 PHE 5 HE2 PHE 5 10.924 3.123 -13.716 53 HZ PHE 5 HZ PHE 5 12.638 2.170 -12.226 54 H ASN 6 H ASN 6 5.198 0.393 -9.854 55 HA ASN 6 HA ASN 6 3.309 -1.057 -11.249 56 HB2 ASN 6 2HB ASN 6 3.574 -0.028 -8.505 57 HB3 ASN 6 3HB ASN 6 1.914 -0.331 -9.010 58 HD21 ASN 6 1HD2 ASN 6 1.253 -2.233 -8.353 59 HD22 ASN 6 2HD2 ASN 6 2.187 -3.686 -8.322 60 HA PRO 7 HA PRO 7 0.351 1.718 -12.922 61 HB2 PRO 7 2HB PRO 7 -1.994 0.435 -12.446 62 HB3 PRO 7 3HB PRO 7 -0.823 -0.119 -13.649 63 HG2 PRO 7 2HG PRO 7 -1.277 -1.098 -10.857 64 HG3 PRO 7 3HG PRO 7 -0.991 -2.031 -12.337 65 HD2 PRO 7 2HD PRO 7 0.958 -1.548 -10.521 66 HD3 PRO 7 3HD PRO 7 1.288 -1.696 -12.259 67 H THR 8 H THR 8 -0.278 0.615 -9.629 68 HA THR 8 HA THR 8 -2.277 2.432 -8.923 69 HB THR 8 HB THR 8 -1.453 0.437 -7.572 70 HG1 THR 8 HG1 THR 8 -2.823 1.449 -6.311 71 HG21 THR 8 1HG2 THR 8 0.528 2.471 -6.543 72 HG22 THR 8 2HG2 THR 8 0.936 1.098 -7.573 73 HG23 THR 8 3HG2 THR 8 0.301 0.826 -5.951 74 H GLY 9 H GLY 9 1.059 2.939 -9.527 75 HA2 GLY 9 2HA GLY 9 1.729 5.065 -7.897 76 HA3 GLY 9 3HA GLY 9 2.319 4.860 -9.540 77 H THR 10 H THR 10 -0.109 5.140 -10.922 78 HA THR 10 HA THR 10 -0.319 7.997 -10.952 79 HB THR 10 HB THR 10 -1.953 5.960 -12.478 80 HG1 THR 10 HG1 THR 10 0.024 5.671 -13.284 81 HG21 THR 10 1HG2 THR 10 -2.339 8.707 -12.204 82 HG22 THR 10 2HG2 THR 10 -3.029 7.661 -13.445 83 HG23 THR 10 3HG2 THR 10 -1.520 8.520 -13.754 84 H ILE 11 H ILE 11 -2.620 5.361 -10.280 85 HA ILE 11 HA ILE 11 -4.841 6.898 -9.658 86 HB ILE 11 HB ILE 11 -4.016 4.267 -8.426 87 HG12 ILE 11 2HG1 ILE 11 -6.070 3.800 -10.204 88 HG13 ILE 11 3HG1 ILE 11 -5.129 5.043 -11.023 89 HG21 ILE 11 1HG2 ILE 11 -5.696 5.364 -7.065 90 HG22 ILE 11 2HG2 ILE 11 -6.703 5.632 -8.487 91 HG23 ILE 11 3HG2 ILE 11 -6.405 3.991 -7.914 92 HD11 ILE 11 1HD1 ILE 11 -4.388 2.256 -10.316 93 HD12 ILE 11 2HD1 ILE 11 -4.120 3.157 -11.808 94 HD13 ILE 11 3HD1 ILE 11 -3.121 3.480 -10.391 95 H VAL 12 H VAL 12 -2.434 5.576 -7.380 96 HA VAL 12 HA VAL 12 -3.418 6.709 -5.052 97 HB VAL 12 HB VAL 12 -0.539 6.179 -5.798 98 HG11 VAL 12 1HG1 VAL 12 -0.130 6.147 -3.363 99 HG12 VAL 12 2HG1 VAL 12 -0.619 7.738 -3.951 100 HG13 VAL 12 3HG1 VAL 12 -1.779 6.716 -3.102 101 HG21 VAL 12 1HG2 VAL 12 -2.121 4.469 -3.950 102 HG22 VAL 12 2HG2 VAL 12 -2.419 4.328 -5.682 103 HG23 VAL 12 3HG2 VAL 12 -0.803 4.037 -5.039 104 H LYS 13 H LYS 13 -1.541 8.158 -7.616 105 HA LYS 13 HA LYS 13 -0.876 10.534 -6.152 106 HB2 LYS 13 2HB LYS 13 0.521 10.871 -7.862 107 HB3 LYS 13 3HB LYS 13 -0.052 9.358 -8.551 108 HG2 LYS 13 2HG LYS 13 -1.781 10.572 -9.780 109 HG3 LYS 13 3HG LYS 13 -1.200 12.090 -9.092 110 HD2 LYS 13 2HD LYS 13 0.702 10.312 -10.557 111 HD3 LYS 13 3HD LYS 13 -0.414 11.331 -11.469 112 HE2 LYS 13 2HE LYS 13 1.097 12.956 -11.247 113 HE3 LYS 13 3HE LYS 13 0.610 13.038 -9.555 114 HZ1 LYS 13 1HZ LYS 13 2.432 11.849 -8.877 115 HZ2 LYS 13 2HZ LYS 13 3.091 12.708 -10.177 116 HZ3 LYS 13 3HZ LYS 13 2.650 11.087 -10.372 117 H LYS 14 H LYS 14 -3.436 9.533 -8.327 118 HA LYS 14 HA LYS 14 -4.537 12.168 -8.631 119 HB2 LYS 14 2HB LYS 14 -5.659 9.433 -9.261 120 HB3 LYS 14 3HB LYS 14 -6.463 10.945 -9.660 121 HG2 LYS 14 2HG LYS 14 -3.816 9.977 -10.713 122 HG3 LYS 14 3HG LYS 14 -5.335 10.106 -11.603 123 HD2 LYS 14 2HD LYS 14 -5.299 12.553 -11.222 124 HD3 LYS 14 3HD LYS 14 -3.725 12.380 -10.443 125 HE2 LYS 14 2HE LYS 14 -3.320 13.043 -12.688 126 HE3 LYS 14 3HE LYS 14 -2.900 11.335 -12.573 127 HZ1 LYS 14 1HZ LYS 14 -4.842 12.597 -14.219 128 HZ2 LYS 14 2HZ LYS 14 -5.558 11.390 -13.275 129 HZ3 LYS 14 3HZ LYS 14 -4.253 11.012 -14.283 130 H LEU 15 H LEU 15 -5.475 9.252 -6.822 131 HA LEU 15 HA LEU 15 -7.776 10.255 -5.621 132 HB2 LEU 15 2HB LEU 15 -5.806 8.136 -4.901 133 HB3 LEU 15 3HB LEU 15 -7.035 8.598 -3.725 134 HG LEU 15 HG LEU 15 -7.498 6.575 -5.222 135 HD11 LEU 15 1HD1 LEU 15 -9.915 7.565 -5.650 136 HD12 LEU 15 2HD1 LEU 15 -9.304 8.845 -4.601 137 HD13 LEU 15 3HD1 LEU 15 -9.338 7.177 -4.029 138 HD21 LEU 15 1HD2 LEU 15 -8.089 8.776 -7.198 139 HD22 LEU 15 2HD2 LEU 15 -8.447 7.062 -7.406 140 HD23 LEU 15 3HD2 LEU 15 -6.772 7.610 -7.325 141 H THR 16 H THR 16 -4.408 10.712 -4.806 142 HA THR 16 HA THR 16 -4.883 11.844 -2.223 143 HB THR 16 HB THR 16 -2.445 12.028 -4.005 144 HG1 THR 16 HG1 THR 16 -3.113 10.314 -1.826 145 HG21 THR 16 1HG2 THR 16 -1.716 13.562 -2.554 146 HG22 THR 16 2HG2 THR 16 -1.687 12.285 -1.338 147 HG23 THR 16 3HG2 THR 16 -3.107 13.318 -1.499 148 H GLN 17 H GLN 17 -4.730 13.071 -5.480 149 HA GLN 17 HA GLN 17 -4.227 15.763 -5.031 150 HB2 GLN 17 2HB GLN 17 -4.866 14.231 -7.216 151 HB3 GLN 17 3HB GLN 17 -6.289 15.252 -7.055 152 HG2 GLN 17 2HG GLN 17 -5.222 17.026 -7.850 153 HG3 GLN 17 3HG GLN 17 -3.843 16.770 -6.781 154 HE21 GLN 17 1HE2 GLN 17 -2.086 16.813 -7.988 155 HE22 GLN 17 2HE2 GLN 17 -1.851 15.957 -9.469 156 H TYR 18 H TYR 18 -7.057 13.891 -4.349 157 HA TYR 18 HA TYR 18 -8.670 16.284 -3.881 158 HB2 TYR 18 2HB TYR 18 -9.401 13.352 -3.739 159 HB3 TYR 18 3HB TYR 18 -10.523 14.687 -3.501 160 HD1 TYR 18 HD1 TYR 18 -8.200 13.213 -6.009 161 HD2 TYR 18 HD2 TYR 18 -11.642 15.619 -5.327 162 HE1 TYR 18 HE1 TYR 18 -8.631 13.272 -8.430 163 HE2 TYR 18 HE2 TYR 18 -12.083 15.684 -7.746 164 HH TYR 18 HH TYR 18 -10.677 15.431 -9.880 165 H GLU 19 H GLU 19 -6.957 13.782 -2.183 166 HA GLU 19 HA GLU 19 -8.192 14.201 0.357 167 HB2 GLU 19 2HB GLU 19 -5.542 12.927 -0.346 168 HB3 GLU 19 3HB GLU 19 -6.306 12.862 1.236 169 HG2 GLU 19 2HG GLU 19 -7.617 11.812 -1.253 170 HG3 GLU 19 3HG GLU 19 -6.581 10.829 -0.220 171 H ILE 20 H ILE 20 -5.330 15.460 -1.260 172 HA ILE 20 HA ILE 20 -4.047 16.704 0.852 173 HB ILE 20 HB ILE 20 -4.298 17.738 -1.975 174 HG12 ILE 20 2HG1 ILE 20 -1.846 16.362 -1.061 175 HG13 ILE 20 3HG1 ILE 20 -3.269 15.340 -1.231 176 HG21 ILE 20 1HG2 ILE 20 -3.129 19.493 -1.280 177 HG22 ILE 20 2HG2 ILE 20 -3.024 18.826 0.348 178 HG23 ILE 20 3HG2 ILE 20 -1.809 18.403 -0.858 179 HD11 ILE 20 1HD1 ILE 20 -1.567 16.525 -3.261 180 HD12 ILE 20 2HD1 ILE 20 -2.682 15.162 -3.365 181 HD13 ILE 20 3HD1 ILE 20 -3.284 16.810 -3.549 182 H ALA 21 H ALA 21 -6.910 17.687 -0.903 183 HA ALA 21 HA ALA 21 -7.107 20.358 -0.251 184 HB1 ALA 21 1HB ALA 21 -9.020 20.108 -1.342 185 HB2 ALA 21 2HB ALA 21 -8.836 18.355 -1.260 186 HB3 ALA 21 3HB ALA 21 -9.696 19.213 0.019 187 H TRP 22 H TRP 22 -8.101 17.557 1.691 188 HA TRP 22 HA TRP 22 -9.312 18.849 3.808 189 HB2 TRP 22 2HB TRP 22 -9.325 16.432 3.621 190 HB3 TRP 22 3HB TRP 22 -7.579 16.371 3.848 191 HD1 TRP 22 HD1 TRP 22 -6.661 16.938 6.352 192 HE1 TRP 22 HE1 TRP 22 -7.792 16.651 8.646 193 HE3 TRP 22 HE3 TRP 22 -11.519 16.517 4.816 194 HZ2 TRP 22 HZ2 TRP 22 -10.398 16.293 9.669 195 HZ3 TRP 22 HZ3 TRP 22 -13.270 16.204 6.515 196 HH2 TRP 22 HH2 TRP 22 -12.719 16.094 8.891 197 H PHE 23 H PHE 23 -5.862 18.198 3.313 198 HA PHE 23 HA PHE 23 -5.085 19.422 5.787 199 HB2 PHE 23 2HB PHE 23 -3.579 17.787 5.056 200 HB3 PHE 23 3HB PHE 23 -3.606 18.369 3.395 201 HD1 PHE 23 HD1 PHE 23 -2.055 19.963 2.639 202 HD2 PHE 23 HD2 PHE 23 -2.386 19.127 6.800 203 HE1 PHE 23 HE1 PHE 23 -0.005 21.258 3.059 204 HE2 PHE 23 HE2 PHE 23 -0.337 20.422 7.226 205 HZ PHE 23 HZ PHE 23 0.855 21.490 5.355 206 H LYS 24 H LYS 24 -5.515 20.469 2.495 207 HA LYS 24 HA LYS 24 -4.011 22.838 2.558 208 HB2 LYS 24 2HB LYS 24 -4.881 21.869 0.483 209 HB3 LYS 24 3HB LYS 24 -6.526 22.215 0.999 210 HG2 LYS 24 2HG LYS 24 -6.194 24.007 -0.343 211 HG3 LYS 24 3HG LYS 24 -5.556 24.677 1.160 212 HD2 LYS 24 2HD LYS 24 -3.287 23.805 0.395 213 HD3 LYS 24 3HD LYS 24 -4.035 23.564 -1.185 214 HE2 LYS 24 2HE LYS 24 -4.066 26.197 0.276 215 HE3 LYS 24 3HE LYS 24 -2.805 25.744 -0.869 216 HZ1 LYS 24 1HZ LYS 24 -5.705 25.965 -1.471 217 HZ2 LYS 24 2HZ LYS 24 -4.513 25.489 -2.573 218 HZ3 LYS 24 3HZ LYS 24 -4.505 27.060 -1.945 219 H ASN 25 H ASN 25 -7.167 22.052 3.808 220 HA ASN 25 HA ASN 25 -7.952 24.787 4.236 221 HB2 ASN 25 2HB ASN 25 -9.108 22.154 5.161 222 HB3 ASN 25 3HB ASN 25 -9.812 23.713 5.577 223 HD21 ASN 25 1HD2 ASN 25 -9.749 21.221 3.353 224 HD22 ASN 25 2HD2 ASN 25 -10.613 21.991 2.071 225 H LYS 26 H LYS 26 -5.875 22.655 5.791 226 HA LYS 26 HA LYS 26 -6.285 23.802 8.444 227 HB2 LYS 26 2HB LYS 26 -4.187 21.784 7.664 228 HB3 LYS 26 3HB LYS 26 -4.833 22.111 9.266 229 HG2 LYS 26 2HG LYS 26 -6.415 20.927 6.995 230 HG3 LYS 26 3HG LYS 26 -5.648 19.998 8.285 231 HD2 LYS 26 2HD LYS 26 -7.088 20.857 9.916 232 HD3 LYS 26 3HD LYS 26 -7.581 22.211 8.897 233 HE2 LYS 26 2HE LYS 26 -8.957 20.866 7.575 234 HE3 LYS 26 3HE LYS 26 -8.168 19.380 8.102 235 HZ1 LYS 26 1HZ LYS 26 -10.026 19.269 9.363 236 HZ2 LYS 26 2HZ LYS 26 -10.251 20.944 9.414 237 HZ3 LYS 26 3HZ LYS 26 -9.099 20.215 10.416 238 H HIS 27 H HIS 27 -4.054 23.901 5.761 239 HA HIS 27 HA HIS 27 -2.657 26.121 7.062 240 HB2 HIS 27 2HB HIS 27 -1.218 23.854 5.669 241 HB3 HIS 27 3HB HIS 27 -0.472 25.270 6.403 242 HD1 HIS 27 HD1 HIS 27 -2.298 22.104 7.337 243 HD2 HIS 27 HD2 HIS 27 -0.000 25.079 9.108 244 HE1 HIS 27 HE1 HIS 27 -1.828 21.292 9.671 245 H GLY 28 H GLY 28 -3.065 24.243 4.070 246 HA2 GLY 28 2HA GLY 28 -3.811 25.232 2.036 247 HA3 GLY 28 3HA GLY 28 -3.198 26.780 2.598 248 H TYR 29 H TYR 29 -1.293 23.876 2.868 249 HA TYR 29 HA TYR 29 0.378 24.795 0.623 250 HB2 TYR 29 2HB TYR 29 1.200 23.937 3.387 251 HB3 TYR 29 3HB TYR 29 2.317 23.828 2.031 252 HD1 TYR 29 HD1 TYR 29 0.051 26.285 3.700 253 HD2 TYR 29 HD2 TYR 29 3.671 25.644 1.558 254 HE1 TYR 29 HE1 TYR 29 0.647 28.652 4.009 255 HE2 TYR 29 HE2 TYR 29 4.277 28.008 1.862 256 HH TYR 29 HH TYR 29 3.761 29.862 3.366 257 H TYR 30 H TYR 30 2.195 22.837 0.444 258 HA TYR 30 HA TYR 30 0.835 20.261 0.464 259 HB2 TYR 30 2HB TYR 30 2.124 21.120 -2.104 260 HB3 TYR 30 3HB TYR 30 0.927 19.859 -1.829 261 HD1 TYR 30 HD1 TYR 30 1.422 23.513 -2.078 262 HD2 TYR 30 HD2 TYR 30 -1.401 20.333 -1.931 263 HE1 TYR 30 HE1 TYR 30 -0.361 25.073 -2.740 264 HE2 TYR 30 HE2 TYR 30 -3.191 21.884 -2.594 265 HH TYR 30 HH TYR 30 -2.703 24.783 -3.956 266 HA PRO 31 HA PRO 31 5.529 19.634 -0.503 267 HB2 PRO 31 2HB PRO 31 7.065 21.863 -0.710 268 HB3 PRO 31 3HB PRO 31 6.239 21.133 -2.092 269 HG2 PRO 31 2HG PRO 31 5.427 23.484 -0.426 270 HG3 PRO 31 3HG PRO 31 5.364 23.285 -2.187 271 HD2 PRO 31 2HD PRO 31 3.183 22.993 -0.609 272 HD3 PRO 31 3HD PRO 31 3.410 22.066 -2.105 273 H TRP 32 H TRP 32 7.758 20.585 0.642 274 HA TRP 32 HA TRP 32 7.128 20.433 3.456 275 HB2 TRP 32 2HB TRP 32 9.385 19.954 3.804 276 HB3 TRP 32 3HB TRP 32 9.087 19.283 2.202 277 HD1 TRP 32 HD1 TRP 32 11.128 21.899 4.005 278 HE1 TRP 32 HE1 TRP 32 12.744 23.015 2.342 279 HE3 TRP 32 HE3 TRP 32 9.267 19.974 -0.350 280 HZ2 TRP 32 HZ2 TRP 32 13.173 23.072 -0.448 281 HZ3 TRP 32 HZ3 TRP 32 10.337 20.610 -2.472 282 HH2 TRP 32 HH2 TRP 32 12.249 22.127 -2.518 283 H GLU 33 H GLU 33 7.032 22.918 1.406 284 HA GLU 33 HA GLU 33 8.470 24.873 2.996 285 HB2 GLU 33 2HB GLU 33 6.626 25.424 0.674 286 HB3 GLU 33 3HB GLU 33 7.905 26.454 1.303 287 HG2 GLU 33 2HG GLU 33 9.591 24.952 0.500 288 HG3 GLU 33 3HG GLU 33 8.371 23.776 0.014 289 H ILE 34 H ILE 34 6.612 23.677 4.573 290 HA ILE 34 HA ILE 34 4.274 25.430 4.659 291 HB ILE 34 HB ILE 34 4.928 23.012 6.347 292 HG12 ILE 34 2HG1 ILE 34 2.722 23.064 4.342 293 HG13 ILE 34 3HG1 ILE 34 4.369 22.888 3.747 294 HG21 ILE 34 1HG2 ILE 34 2.643 23.130 7.118 295 HG22 ILE 34 2HG2 ILE 34 3.455 24.659 7.449 296 HG23 ILE 34 3HG2 ILE 34 2.336 24.530 6.092 297 HD11 ILE 34 1HD1 ILE 34 4.664 20.916 5.149 298 HD12 ILE 34 2HD1 ILE 34 3.012 21.092 5.743 299 HD13 ILE 34 3HD1 ILE 34 3.304 20.731 4.042 300 HA PRO 35 HA PRO 35 6.128 27.991 7.752 301 HB2 PRO 35 2HB PRO 35 3.870 29.275 8.541 302 HB3 PRO 35 3HB PRO 35 4.696 29.631 7.019 303 HG2 PRO 35 2HG PRO 35 2.284 27.927 7.512 304 HG3 PRO 35 3HG PRO 35 2.578 29.103 6.217 305 HD2 PRO 35 2HD PRO 35 2.849 26.434 5.850 306 HD3 PRO 35 3HD PRO 35 3.848 27.623 4.989 307 H ARG 36 H ARG 36 5.177 28.786 10.079 308 HA ARG 36 HA ARG 36 4.543 26.299 11.527 309 HB2 ARG 36 2HB ARG 36 5.718 27.344 13.464 310 HB3 ARG 36 3HB ARG 36 6.762 27.030 12.085 311 HG2 ARG 36 2HG ARG 36 5.519 29.714 12.282 312 HG3 ARG 36 3HG ARG 36 6.817 29.319 13.410 313 HD2 ARG 36 2HD ARG 36 8.304 29.748 11.820 314 HD3 ARG 36 3HD ARG 36 7.633 28.433 10.856 315 HE ARG 36 HE ARG 36 6.066 30.770 10.567 316 HH11 ARG 36 1HH1 ARG 36 9.113 29.378 9.619 317 HH12 ARG 36 2HH1 ARG 36 9.215 30.282 8.144 318 HH21 ARG 36 1HH2 ARG 36 6.189 31.965 8.628 319 HH22 ARG 36 2HH2 ARG 36 7.552 31.753 7.582 320 H CYS 37 H CYS 37 3.515 26.742 13.720 321 HA CYS 37 HA CYS 37 1.249 28.522 13.282 322 HB2 CYS 37 2HB CYS 37 1.766 26.105 14.901 323 HB3 CYS 37 3HB CYS 37 0.707 27.297 15.643 324 HG CYS 37 HG CYS 37 -1.188 27.267 13.629 Start of MODEL 14 1 H MET 1 H MET 1 5.973 -2.464 -0.376 2 HA MET 1 HA MET 1 4.065 -0.889 -0.594 3 HB2 MET 1 2HB MET 1 5.942 -1.000 1.509 4 HB3 MET 1 3HB MET 1 5.572 0.703 1.268 5 HG2 MET 1 2HG MET 1 3.127 0.024 1.351 6 HG3 MET 1 3HG MET 1 3.694 -1.531 1.953 7 HE1 MET 1 1HE MET 1 2.105 0.576 4.931 8 HE2 MET 1 2HE MET 1 1.649 0.002 3.326 9 HE3 MET 1 3HE MET 1 2.290 -1.129 4.519 10 H LYS 2 H LYS 2 3.383 0.857 -1.653 11 HA LYS 2 HA LYS 2 3.390 2.736 -2.936 12 HB2 LYS 2 2HB LYS 2 5.559 3.389 -0.949 13 HB3 LYS 2 3HB LYS 2 5.043 4.536 -2.178 14 HG2 LYS 2 2HG LYS 2 2.825 3.396 -0.675 15 HG3 LYS 2 3HG LYS 2 3.976 4.278 0.332 16 HD2 LYS 2 2HD LYS 2 3.800 6.115 -1.473 17 HD3 LYS 2 3HD LYS 2 2.333 5.270 -1.973 18 HE2 LYS 2 2HE LYS 2 1.647 6.960 -0.467 19 HE3 LYS 2 3HE LYS 2 1.564 5.441 0.424 20 HZ1 LYS 2 1HZ LYS 2 3.104 7.759 0.979 21 HZ2 LYS 2 2HZ LYS 2 4.109 6.407 0.834 22 HZ3 LYS 2 3HZ LYS 2 2.836 6.398 1.948 23 H PHE 3 H PHE 3 4.131 1.275 -4.683 24 HA PHE 3 HA PHE 3 6.912 1.343 -5.420 25 HB2 PHE 3 2HB PHE 3 4.425 0.166 -6.597 26 HB3 PHE 3 3HB PHE 3 5.856 0.332 -7.608 27 HD1 PHE 3 HD1 PHE 3 5.286 -0.686 -4.062 28 HD2 PHE 3 HD2 PHE 3 6.934 -1.671 -7.860 29 HE1 PHE 3 HE1 PHE 3 6.181 -2.778 -3.127 30 HE2 PHE 3 HE2 PHE 3 7.831 -3.766 -6.932 31 HZ PHE 3 HZ PHE 3 7.455 -4.322 -4.562 32 H LYS 4 H LYS 4 7.455 1.970 -7.754 33 HA LYS 4 HA LYS 4 6.207 4.575 -8.340 34 HB2 LYS 4 2HB LYS 4 9.036 3.761 -9.011 35 HB3 LYS 4 3HB LYS 4 8.330 5.368 -9.129 36 HG2 LYS 4 2HG LYS 4 9.342 5.691 -7.158 37 HG3 LYS 4 3HG LYS 4 7.938 4.844 -6.507 38 HD2 LYS 4 2HD LYS 4 9.665 3.669 -5.535 39 HD3 LYS 4 3HD LYS 4 9.372 2.710 -6.987 40 HE2 LYS 4 2HE LYS 4 11.236 3.670 -8.099 41 HE3 LYS 4 3HE LYS 4 11.420 4.911 -6.861 42 HZ1 LYS 4 1HZ LYS 4 12.988 2.907 -6.820 43 HZ2 LYS 4 2HZ LYS 4 11.676 2.052 -6.181 44 HZ3 LYS 4 3HZ LYS 4 12.290 3.397 -5.359 45 H PHE 5 H PHE 5 7.346 1.541 -9.630 46 HA PHE 5 HA PHE 5 6.808 2.328 -12.372 47 HB2 PHE 5 2HB PHE 5 7.647 -0.344 -11.227 48 HB3 PHE 5 3HB PHE 5 7.556 0.051 -12.940 49 HD1 PHE 5 HD1 PHE 5 8.981 2.105 -13.695 50 HD2 PHE 5 HD2 PHE 5 9.652 -0.111 -10.123 51 HE1 PHE 5 HE1 PHE 5 11.303 2.916 -13.632 52 HE2 PHE 5 HE2 PHE 5 11.975 0.698 -10.054 53 HZ PHE 5 HZ PHE 5 12.803 2.214 -11.809 54 H ASN 6 H ASN 6 5.352 0.429 -9.817 55 HA ASN 6 HA ASN 6 3.484 -1.052 -11.207 56 HB2 ASN 6 2HB ASN 6 3.716 0.012 -8.469 57 HB3 ASN 6 3HB ASN 6 2.069 -0.344 -8.982 58 HD21 ASN 6 1HD2 ASN 6 1.519 -2.213 -8.126 59 HD22 ASN 6 2HD2 ASN 6 2.470 -3.656 -8.143 60 HA PRO 7 HA PRO 7 0.497 1.674 -12.908 61 HB2 PRO 7 2HB PRO 7 -1.833 0.366 -12.430 62 HB3 PRO 7 3HB PRO 7 -0.652 -0.181 -13.625 63 HG2 PRO 7 2HG PRO 7 -1.102 -1.147 -10.828 64 HG3 PRO 7 3HG PRO 7 -0.800 -2.087 -12.301 65 HD2 PRO 7 2HD PRO 7 1.138 -1.567 -10.482 66 HD3 PRO 7 3HD PRO 7 1.474 -1.723 -12.219 67 H THR 8 H THR 8 -0.130 0.586 -9.610 68 HA THR 8 HA THR 8 -2.153 2.384 -8.923 69 HB THR 8 HB THR 8 -1.312 0.407 -7.556 70 HG1 THR 8 HG1 THR 8 -2.835 1.959 -6.757 71 HG21 THR 8 1HG2 THR 8 0.643 2.469 -6.532 72 HG22 THR 8 2HG2 THR 8 1.070 1.095 -7.551 73 HG23 THR 8 3HG2 THR 8 0.431 0.826 -5.930 74 H GLY 9 H GLY 9 1.179 2.925 -9.516 75 HA2 GLY 9 2HA GLY 9 1.819 5.069 -7.897 76 HA3 GLY 9 3HA GLY 9 2.418 4.860 -9.536 77 H THR 10 H THR 10 -0.007 5.104 -10.931 78 HA THR 10 HA THR 10 -0.249 7.958 -10.979 79 HB THR 10 HB THR 10 -1.853 5.892 -12.500 80 HG1 THR 10 HG1 THR 10 0.595 7.224 -13.052 81 HG21 THR 10 1HG2 THR 10 -1.447 8.447 -13.792 82 HG22 THR 10 2HG2 THR 10 -2.270 8.638 -12.244 83 HG23 THR 10 3HG2 THR 10 -2.946 7.575 -13.477 84 H ILE 11 H ILE 11 -2.523 5.300 -10.300 85 HA ILE 11 HA ILE 11 -4.764 6.816 -9.697 86 HB ILE 11 HB ILE 11 -3.913 4.202 -8.445 87 HG12 ILE 11 2HG1 ILE 11 -5.955 3.700 -10.227 88 HG13 ILE 11 3HG1 ILE 11 -5.028 4.950 -11.050 89 HG21 ILE 11 1HG2 ILE 11 -5.609 5.288 -7.096 90 HG22 ILE 11 2HG2 ILE 11 -6.615 5.538 -8.522 91 HG23 ILE 11 3HG2 ILE 11 -6.301 3.903 -7.940 92 HD11 ILE 11 1HD1 ILE 11 -4.257 2.176 -10.330 93 HD12 ILE 11 2HD1 ILE 11 -3.989 3.077 -11.823 94 HD13 ILE 11 3HD1 ILE 11 -3.003 3.414 -10.400 95 H VAL 12 H VAL 12 -2.351 5.537 -7.400 96 HA VAL 12 HA VAL 12 -3.357 6.673 -5.084 97 HB VAL 12 HB VAL 12 -0.470 6.171 -5.815 98 HG11 VAL 12 1HG1 VAL 12 -1.728 6.713 -3.128 99 HG12 VAL 12 2HG1 VAL 12 -0.070 6.160 -3.377 100 HG13 VAL 12 3HG1 VAL 12 -0.574 7.740 -3.979 101 HG21 VAL 12 1HG2 VAL 12 -2.639 4.425 -5.240 102 HG22 VAL 12 2HG2 VAL 12 -0.952 4.019 -5.554 103 HG23 VAL 12 3HG2 VAL 12 -1.489 4.341 -3.906 104 H LYS 13 H LYS 13 -1.487 8.127 -7.650 105 HA LYS 13 HA LYS 13 -0.854 10.519 -6.198 106 HB2 LYS 13 2HB LYS 13 0.546 10.861 -7.905 107 HB3 LYS 13 3HB LYS 13 -0.007 9.337 -8.586 108 HG2 LYS 13 2HG LYS 13 -1.745 10.524 -9.830 109 HG3 LYS 13 3HG LYS 13 -1.183 12.053 -9.149 110 HD2 LYS 13 2HD LYS 13 0.527 10.200 -10.804 111 HD3 LYS 13 3HD LYS 13 -0.343 11.591 -11.452 112 HE2 LYS 13 2HE LYS 13 1.414 12.849 -10.933 113 HE3 LYS 13 3HE LYS 13 1.062 12.550 -9.231 114 HZ1 LYS 13 1HZ LYS 13 3.053 11.282 -10.968 115 HZ2 LYS 13 2HZ LYS 13 2.382 10.364 -9.716 116 HZ3 LYS 13 3HZ LYS 13 3.198 11.803 -9.365 117 H LYS 14 H LYS 14 -3.394 9.476 -8.377 118 HA LYS 14 HA LYS 14 -4.523 12.096 -8.702 119 HB2 LYS 14 2HB LYS 14 -5.611 9.345 -9.320 120 HB3 LYS 14 3HB LYS 14 -6.431 10.846 -9.731 121 HG2 LYS 14 2HG LYS 14 -3.768 9.900 -10.768 122 HG3 LYS 14 3HG LYS 14 -5.285 10.006 -11.665 123 HD2 LYS 14 2HD LYS 14 -5.278 12.457 -11.299 124 HD3 LYS 14 3HD LYS 14 -3.705 12.306 -10.513 125 HE2 LYS 14 2HE LYS 14 -2.629 12.152 -12.467 126 HE3 LYS 14 3HE LYS 14 -3.804 11.011 -13.120 127 HZ1 LYS 14 1HZ LYS 14 -3.858 13.959 -13.193 128 HZ2 LYS 14 2HZ LYS 14 -5.287 13.069 -13.357 129 HZ3 LYS 14 3HZ LYS 14 -4.029 12.862 -14.469 130 H LEU 15 H LEU 15 -5.436 9.181 -6.879 131 HA LEU 15 HA LEU 15 -7.753 10.166 -5.694 132 HB2 LEU 15 2HB LEU 15 -5.763 8.073 -4.953 133 HB3 LEU 15 3HB LEU 15 -7.002 8.528 -3.786 134 HG LEU 15 HG LEU 15 -7.437 6.491 -5.273 135 HD11 LEU 15 1HD1 LEU 15 -9.192 8.656 -4.437 136 HD12 LEU 15 2HD1 LEU 15 -9.384 6.911 -4.272 137 HD13 LEU 15 3HD1 LEU 15 -9.848 7.710 -5.774 138 HD21 LEU 15 1HD2 LEU 15 -8.044 8.675 -7.264 139 HD22 LEU 15 2HD2 LEU 15 -8.381 6.955 -7.464 140 HD23 LEU 15 3HD2 LEU 15 -6.713 7.523 -7.378 141 H THR 16 H THR 16 -4.393 10.663 -4.868 142 HA THR 16 HA THR 16 -4.889 11.803 -2.293 143 HB THR 16 HB THR 16 -2.450 12.004 -4.070 144 HG1 THR 16 HG1 THR 16 -3.087 10.309 -1.866 145 HG21 THR 16 1HG2 THR 16 -1.750 13.566 -2.634 146 HG22 THR 16 2HG2 THR 16 -1.691 12.297 -1.411 147 HG23 THR 16 3HG2 THR 16 -3.131 13.302 -1.571 148 H GLN 17 H GLN 17 -4.742 13.017 -5.555 149 HA GLN 17 HA GLN 17 -4.273 15.716 -5.118 150 HB2 GLN 17 2HB GLN 17 -4.656 14.314 -7.321 151 HB3 GLN 17 3HB GLN 17 -6.307 14.895 -7.146 152 HG2 GLN 17 2HG GLN 17 -5.769 16.888 -7.943 153 HG3 GLN 17 3HG GLN 17 -4.430 17.048 -6.807 154 HE21 GLN 17 1HE2 GLN 17 -2.375 16.625 -7.473 155 HE22 GLN 17 2HE2 GLN 17 -1.952 16.284 -9.113 156 H TYR 18 H TYR 18 -7.083 13.814 -4.434 157 HA TYR 18 HA TYR 18 -8.725 16.189 -3.982 158 HB2 TYR 18 2HB TYR 18 -9.420 13.249 -3.828 159 HB3 TYR 18 3HB TYR 18 -10.559 14.571 -3.597 160 HD1 TYR 18 HD1 TYR 18 -8.212 13.118 -6.095 161 HD2 TYR 18 HD2 TYR 18 -11.688 15.479 -5.429 162 HE1 TYR 18 HE1 TYR 18 -8.639 13.162 -8.517 163 HE2 TYR 18 HE2 TYR 18 -12.126 15.528 -7.849 164 HH TYR 18 HH TYR 18 -10.591 13.483 -10.036 165 H GLU 19 H GLU 19 -6.986 13.716 -2.267 166 HA GLU 19 HA GLU 19 -8.232 14.134 0.268 167 HB2 GLU 19 2HB GLU 19 -5.566 12.886 -0.422 168 HB3 GLU 19 3HB GLU 19 -6.334 12.820 1.158 169 HG2 GLU 19 2HG GLU 19 -7.623 11.743 -1.331 170 HG3 GLU 19 3HG GLU 19 -6.582 10.777 -0.287 171 H ILE 20 H ILE 20 -5.379 15.415 -1.348 172 HA ILE 20 HA ILE 20 -4.116 16.685 0.761 173 HB ILE 20 HB ILE 20 -4.369 17.700 -2.073 174 HG12 ILE 20 2HG1 ILE 20 -1.906 16.355 -1.142 175 HG13 ILE 20 3HG1 ILE 20 -3.317 15.317 -1.312 176 HG21 ILE 20 1HG2 ILE 20 -3.222 19.471 -1.384 177 HG22 ILE 20 2HG2 ILE 20 -3.114 18.815 0.248 178 HG23 ILE 20 3HG2 ILE 20 -1.891 18.398 -0.951 179 HD11 ILE 20 1HD1 ILE 20 -3.338 16.772 -3.638 180 HD12 ILE 20 2HD1 ILE 20 -1.620 16.507 -3.341 181 HD13 ILE 20 3HD1 ILE 20 -2.720 15.133 -3.442 182 H ALA 21 H ALA 21 -6.983 17.627 -1.010 183 HA ALA 21 HA ALA 21 -7.212 20.299 -0.373 184 HB1 ALA 21 1HB ALA 21 -9.652 18.603 -0.207 185 HB2 ALA 21 2HB ALA 21 -9.404 20.150 -1.016 186 HB3 ALA 21 3HB ALA 21 -8.766 18.670 -1.730 187 H TRP 22 H TRP 22 -8.184 17.499 1.580 188 HA TRP 22 HA TRP 22 -9.416 18.791 3.685 189 HB2 TRP 22 2HB TRP 22 -9.429 16.385 3.544 190 HB3 TRP 22 3HB TRP 22 -7.676 16.319 3.708 191 HD1 TRP 22 HD1 TRP 22 -6.664 16.862 6.174 192 HE1 TRP 22 HE1 TRP 22 -7.713 16.595 8.509 193 HE3 TRP 22 HE3 TRP 22 -11.582 16.518 4.820 194 HZ2 TRP 22 HZ2 TRP 22 -10.284 16.280 9.629 195 HZ3 TRP 22 HZ3 TRP 22 -13.273 16.235 6.584 196 HH2 TRP 22 HH2 TRP 22 -12.636 16.117 8.938 197 H PHE 23 H PHE 23 -5.958 18.172 3.207 198 HA PHE 23 HA PHE 23 -5.203 19.416 5.677 199 HB2 PHE 23 2HB PHE 23 -3.677 17.794 4.961 200 HB3 PHE 23 3HB PHE 23 -3.704 18.366 3.296 201 HD1 PHE 23 HD1 PHE 23 -2.167 19.972 2.537 202 HD2 PHE 23 HD2 PHE 23 -2.504 19.156 6.701 203 HE1 PHE 23 HE1 PHE 23 -0.133 21.291 2.956 204 HE2 PHE 23 HE2 PHE 23 -0.471 20.474 7.127 205 HZ PHE 23 HZ PHE 23 0.717 21.544 5.254 206 H LYS 24 H LYS 24 -5.632 20.442 2.378 207 HA LYS 24 HA LYS 24 -4.152 22.827 2.435 208 HB2 LYS 24 2HB LYS 24 -5.005 21.838 0.361 209 HB3 LYS 24 3HB LYS 24 -6.655 22.170 0.869 210 HG2 LYS 24 2HG LYS 24 -6.335 23.959 -0.481 211 HG3 LYS 24 3HG LYS 24 -5.709 24.643 1.021 212 HD2 LYS 24 2HD LYS 24 -3.429 23.790 0.269 213 HD3 LYS 24 3HD LYS 24 -4.169 23.532 -1.312 214 HE2 LYS 24 2HE LYS 24 -4.231 26.173 0.133 215 HE3 LYS 24 3HE LYS 24 -2.962 25.725 -1.006 216 HZ1 LYS 24 1HZ LYS 24 -4.460 26.874 -2.311 217 HZ2 LYS 24 2HZ LYS 24 -5.817 26.236 -1.527 218 HZ3 LYS 24 3HZ LYS 24 -4.920 25.269 -2.586 219 H ASN 25 H ASN 25 -7.304 22.014 3.677 220 HA ASN 25 HA ASN 25 -8.119 24.743 4.087 221 HB2 ASN 25 2HB ASN 25 -9.250 22.099 5.011 222 HB3 ASN 25 3HB ASN 25 -9.969 23.650 5.436 223 HD21 ASN 25 1HD2 ASN 25 -9.874 21.172 3.193 224 HD22 ASN 25 2HD2 ASN 25 -10.752 21.941 1.919 225 H LYS 26 H LYS 26 -6.026 22.642 5.662 226 HA LYS 26 HA LYS 26 -6.457 23.799 8.307 227 HB2 LYS 26 2HB LYS 26 -4.336 21.798 7.545 228 HB3 LYS 26 3HB LYS 26 -4.992 22.128 9.144 229 HG2 LYS 26 2HG LYS 26 -6.552 20.915 6.872 230 HG3 LYS 26 3HG LYS 26 -5.781 20.000 8.171 231 HD2 LYS 26 2HD LYS 26 -7.236 21.874 9.546 232 HD3 LYS 26 3HD LYS 26 -8.279 21.521 8.166 233 HE2 LYS 26 2HE LYS 26 -8.986 19.824 9.470 234 HE3 LYS 26 3HE LYS 26 -7.538 19.023 8.863 235 HZ1 LYS 26 1HZ LYS 26 -6.462 19.267 10.834 236 HZ2 LYS 26 2HZ LYS 26 -8.046 19.189 11.420 237 HZ3 LYS 26 3HZ LYS 26 -7.279 20.687 11.255 238 H HIS 27 H HIS 27 -4.218 23.906 5.631 239 HA HIS 27 HA HIS 27 -2.849 26.147 6.925 240 HB2 HIS 27 2HB HIS 27 -1.382 23.888 5.549 241 HB3 HIS 27 3HB HIS 27 -0.653 25.316 6.278 242 HD1 HIS 27 HD1 HIS 27 -2.449 22.136 7.224 243 HD2 HIS 27 HD2 HIS 27 -0.188 25.144 8.985 244 HE1 HIS 27 HE1 HIS 27 -1.979 21.341 9.563 245 H GLY 28 H GLY 28 -3.227 24.250 3.942 246 HA2 GLY 28 2HA GLY 28 -3.976 25.220 1.900 247 HA3 GLY 28 3HA GLY 28 -3.381 26.777 2.456 248 H TYR 29 H TYR 29 -1.447 23.896 2.748 249 HA TYR 29 HA TYR 29 0.223 24.820 0.504 250 HB2 TYR 29 2HB TYR 29 1.044 23.986 3.276 251 HB3 TYR 29 3HB TYR 29 2.166 23.881 1.924 252 HD1 TYR 29 HD1 TYR 29 3.504 25.708 1.446 253 HD2 TYR 29 HD2 TYR 29 -0.129 26.323 3.573 254 HE1 TYR 29 HE1 TYR 29 4.084 28.080 1.739 255 HE2 TYR 29 HE2 TYR 29 0.440 28.697 3.870 256 HH TYR 29 HH TYR 29 2.421 30.126 3.889 257 H TYR 30 H TYR 30 2.061 22.881 0.342 258 HA TYR 30 HA TYR 30 0.728 20.290 0.371 259 HB2 TYR 30 2HB TYR 30 2.017 21.149 -2.197 260 HB3 TYR 30 3HB TYR 30 0.832 19.877 -1.920 261 HD1 TYR 30 HD1 TYR 30 -1.500 20.324 -2.036 262 HD2 TYR 30 HD2 TYR 30 1.288 23.535 -2.186 263 HE1 TYR 30 HE1 TYR 30 -3.305 21.852 -2.713 264 HE2 TYR 30 HE2 TYR 30 -0.509 25.072 -2.862 265 HH TYR 30 HH TYR 30 -3.736 23.910 -3.609 266 HA PRO 31 HA PRO 31 5.432 19.708 -0.577 267 HB2 PRO 31 2HB PRO 31 6.945 21.952 -0.789 268 HB3 PRO 31 3HB PRO 31 6.132 21.207 -2.171 269 HG2 PRO 31 2HG PRO 31 5.289 23.557 -0.520 270 HG3 PRO 31 3HG PRO 31 5.234 23.349 -2.280 271 HD2 PRO 31 2HD PRO 31 3.051 23.042 -0.708 272 HD3 PRO 31 3HD PRO 31 3.293 22.109 -2.199 273 H TRP 32 H TRP 32 7.646 20.688 0.572 274 HA TRP 32 HA TRP 32 7.008 20.545 3.385 275 HB2 TRP 32 2HB TRP 32 9.268 20.090 3.742 276 HB3 TRP 32 3HB TRP 32 8.984 19.409 2.143 277 HD1 TRP 32 HD1 TRP 32 10.991 22.055 3.941 278 HE1 TRP 32 HE1 TRP 32 12.601 23.180 2.278 279 HE3 TRP 32 HE3 TRP 32 9.166 20.090 -0.412 280 HZ2 TRP 32 HZ2 TRP 32 13.039 23.229 -0.510 281 HZ3 TRP 32 HZ3 TRP 32 10.237 20.727 -2.533 282 HH2 TRP 32 HH2 TRP 32 12.133 22.265 -2.579 283 H GLU 33 H GLU 33 6.893 23.018 1.321 284 HA GLU 33 HA GLU 33 8.304 24.996 2.906 285 HB2 GLU 33 2HB GLU 33 6.464 25.515 0.574 286 HB3 GLU 33 3HB GLU 33 7.729 26.562 1.203 287 HG2 GLU 33 2HG GLU 33 9.435 25.074 0.414 288 HG3 GLU 33 3HG GLU 33 8.229 23.883 -0.070 289 H ILE 34 H ILE 34 6.453 23.788 4.482 290 HA ILE 34 HA ILE 34 4.097 25.517 4.551 291 HB ILE 34 HB ILE 34 4.770 23.114 6.254 292 HG12 ILE 34 2HG1 ILE 34 2.571 23.134 4.239 293 HG13 ILE 34 3HG1 ILE 34 4.223 22.970 3.653 294 HG21 ILE 34 1HG2 ILE 34 3.276 24.753 7.341 295 HG22 ILE 34 2HG2 ILE 34 2.164 24.604 5.981 296 HG23 ILE 34 3HG2 ILE 34 2.482 23.213 7.017 297 HD11 ILE 34 1HD1 ILE 34 3.046 21.194 5.769 298 HD12 ILE 34 2HD1 ILE 34 2.991 20.828 4.044 299 HD13 ILE 34 3HD1 ILE 34 4.545 20.966 4.868 300 HA PRO 35 HA PRO 35 5.913 28.113 7.637 301 HB2 PRO 35 2HB PRO 35 3.639 29.377 8.411 302 HB3 PRO 35 3HB PRO 35 4.466 29.734 6.891 303 HG2 PRO 35 2HG PRO 35 2.071 28.008 7.383 304 HG3 PRO 35 3HG PRO 35 2.357 29.180 6.084 305 HD2 PRO 35 2HD PRO 35 2.657 26.512 5.731 306 HD3 PRO 35 3HD PRO 35 3.647 27.707 4.868 307 H ARG 36 H ARG 36 4.948 28.909 9.957 308 HA ARG 36 HA ARG 36 4.002 26.530 11.397 309 HB2 ARG 36 2HB ARG 36 5.625 27.076 13.225 310 HB3 ARG 36 3HB ARG 36 6.372 26.511 11.737 311 HG2 ARG 36 2HG ARG 36 6.116 29.394 11.786 312 HG3 ARG 36 3HG ARG 36 7.035 28.783 13.163 313 HD2 ARG 36 2HD ARG 36 8.705 27.929 11.844 314 HD3 ARG 36 3HD ARG 36 7.641 27.705 10.457 315 HE ARG 36 HE ARG 36 8.244 29.780 9.739 316 HH11 ARG 36 1HH1 ARG 36 8.877 29.565 13.156 317 HH12 ARG 36 2HH1 ARG 36 9.627 31.124 13.247 318 HH21 ARG 36 1HH2 ARG 36 9.230 31.834 9.847 319 HH22 ARG 36 2HH2 ARG 36 9.827 32.414 11.365 320 H CYS 37 H CYS 37 3.714 27.305 13.863 321 HA CYS 37 HA CYS 37 1.505 29.006 13.881 322 HB2 CYS 37 2HB CYS 37 3.115 27.589 15.852 323 HB3 CYS 37 3HB CYS 37 2.507 29.120 16.470 324 HG CYS 37 HG CYS 37 0.833 26.303 15.706 Start of MODEL 15 1 H MET 1 H MET 1 1.322 -1.193 0.274 2 HA MET 1 HA MET 1 2.677 -0.979 -1.599 3 HB2 MET 1 2HB MET 1 0.325 0.714 -2.446 4 HB3 MET 1 3HB MET 1 1.361 -0.263 -3.478 5 HG2 MET 1 2HG MET 1 0.396 -2.091 -1.672 6 HG3 MET 1 3HG MET 1 -0.976 -1.015 -1.924 7 HE1 MET 1 1HE MET 1 -1.696 -4.135 -3.434 8 HE2 MET 1 2HE MET 1 -2.279 -2.727 -2.546 9 HE3 MET 1 3HE MET 1 -2.648 -2.903 -4.262 10 H LYS 2 H LYS 2 4.402 0.160 -2.183 11 HA LYS 2 HA LYS 2 4.267 3.057 -2.384 12 HB2 LYS 2 2HB LYS 2 6.245 1.678 -0.558 13 HB3 LYS 2 3HB LYS 2 6.247 3.391 -0.956 14 HG2 LYS 2 2HG LYS 2 3.992 3.574 0.068 15 HG3 LYS 2 3HG LYS 2 4.137 1.890 0.578 16 HD2 LYS 2 2HD LYS 2 6.108 2.441 1.896 17 HD3 LYS 2 3HD LYS 2 6.026 4.117 1.346 18 HE2 LYS 2 2HE LYS 2 4.281 4.621 2.710 19 HE3 LYS 2 3HE LYS 2 3.591 3.002 2.605 20 HZ1 LYS 2 1HZ LYS 2 6.136 3.286 4.006 21 HZ2 LYS 2 2HZ LYS 2 4.832 2.258 4.330 22 HZ3 LYS 2 3HZ LYS 2 4.758 3.887 4.782 23 H PHE 3 H PHE 3 4.459 2.055 -4.618 24 HA PHE 3 HA PHE 3 7.304 1.655 -5.277 25 HB2 PHE 3 2HB PHE 3 4.822 0.377 -6.356 26 HB3 PHE 3 3HB PHE 3 6.218 0.564 -7.412 27 HD1 PHE 3 HD1 PHE 3 5.736 -0.418 -3.841 28 HD2 PHE 3 HD2 PHE 3 7.395 -1.384 -7.640 29 HE1 PHE 3 HE1 PHE 3 6.723 -2.461 -2.888 30 HE2 PHE 3 HE2 PHE 3 8.383 -3.428 -6.693 31 HZ PHE 3 HZ PHE 3 8.047 -3.969 -4.314 32 H LYS 4 H LYS 4 7.774 2.255 -7.628 33 HA LYS 4 HA LYS 4 6.425 4.804 -8.238 34 HB2 LYS 4 2HB LYS 4 9.252 4.079 -9.001 35 HB3 LYS 4 3HB LYS 4 8.491 5.663 -9.070 36 HG2 LYS 4 2HG LYS 4 9.507 6.031 -7.122 37 HG3 LYS 4 3HG LYS 4 8.235 5.024 -6.427 38 HD2 LYS 4 2HD LYS 4 10.120 3.995 -5.598 39 HD3 LYS 4 3HD LYS 4 9.850 3.066 -7.075 40 HE2 LYS 4 2HE LYS 4 11.668 3.951 -8.124 41 HE3 LYS 4 3HE LYS 4 11.541 5.493 -7.280 42 HZ1 LYS 4 1HZ LYS 4 12.135 3.714 -5.308 43 HZ2 LYS 4 2HZ LYS 4 13.231 4.762 -6.056 44 HZ3 LYS 4 3HZ LYS 4 13.074 3.171 -6.607 45 H PHE 5 H PHE 5 7.628 1.780 -9.495 46 HA PHE 5 HA PHE 5 6.997 2.489 -12.239 47 HB2 PHE 5 2HB PHE 5 7.959 -0.115 -11.035 48 HB3 PHE 5 3HB PHE 5 7.771 0.195 -12.758 49 HD1 PHE 5 HD1 PHE 5 9.039 2.382 -13.588 50 HD2 PHE 5 HD2 PHE 5 10.052 0.108 -10.136 51 HE1 PHE 5 HE1 PHE 5 11.332 3.271 -13.680 52 HE2 PHE 5 HE2 PHE 5 12.346 0.993 -10.221 53 HZ PHE 5 HZ PHE 5 12.989 2.577 -11.994 54 H ASN 6 H ASN 6 5.655 0.610 -9.607 55 HA ASN 6 HA ASN 6 3.793 -0.949 -10.919 56 HB2 ASN 6 2HB ASN 6 4.062 0.180 -8.210 57 HB3 ASN 6 3HB ASN 6 2.415 -0.234 -8.675 58 HD21 ASN 6 1HD2 ASN 6 2.349 -1.897 -7.160 59 HD22 ASN 6 2HD2 ASN 6 3.183 -3.390 -7.405 60 HA PRO 7 HA PRO 7 0.694 1.663 -12.599 61 HB2 PRO 7 2HB PRO 7 -1.588 0.304 -12.036 62 HB3 PRO 7 3HB PRO 7 -0.422 -0.236 -13.250 63 HG2 PRO 7 2HG PRO 7 -0.777 -1.155 -10.423 64 HG3 PRO 7 3HG PRO 7 -0.487 -2.117 -11.884 65 HD2 PRO 7 2HD PRO 7 1.480 -1.509 -10.126 66 HD3 PRO 7 3HD PRO 7 1.778 -1.692 -11.867 67 H THR 8 H THR 8 0.179 0.627 -9.265 68 HA THR 8 HA THR 8 -1.875 2.385 -8.563 69 HB THR 8 HB THR 8 -0.945 0.461 -7.178 70 HG1 THR 8 HG1 THR 8 -2.493 1.939 -6.348 71 HG21 THR 8 1HG2 THR 8 0.977 2.596 -6.246 72 HG22 THR 8 2HG2 THR 8 1.416 1.213 -7.249 73 HG23 THR 8 3HG2 THR 8 0.826 0.960 -5.606 74 H GLY 9 H GLY 9 1.426 3.002 -9.252 75 HA2 GLY 9 2HA GLY 9 2.048 5.196 -7.694 76 HA3 GLY 9 3HA GLY 9 2.610 4.969 -9.344 77 H THR 10 H THR 10 0.145 5.118 -10.680 78 HA THR 10 HA THR 10 -0.176 7.963 -10.781 79 HB THR 10 HB THR 10 -1.762 5.824 -12.216 80 HG1 THR 10 HG1 THR 10 0.456 7.353 -13.149 81 HG21 THR 10 1HG2 THR 10 -2.922 7.457 -13.204 82 HG22 THR 10 2HG2 THR 10 -1.454 8.363 -13.569 83 HG23 THR 10 3HG2 THR 10 -2.247 8.561 -12.007 84 H ILE 11 H ILE 11 -2.358 5.261 -9.988 85 HA ILE 11 HA ILE 11 -4.624 6.729 -9.359 86 HB ILE 11 HB ILE 11 -3.671 4.166 -8.075 87 HG12 ILE 11 2HG1 ILE 11 -5.743 3.572 -9.794 88 HG13 ILE 11 3HG1 ILE 11 -4.870 4.828 -10.666 89 HG21 ILE 11 1HG2 ILE 11 -6.035 3.813 -7.502 90 HG22 ILE 11 2HG2 ILE 11 -5.363 5.235 -6.707 91 HG23 ILE 11 3HG2 ILE 11 -6.411 5.424 -8.112 92 HD11 ILE 11 1HD1 ILE 11 -2.789 3.360 -10.039 93 HD12 ILE 11 2HD1 ILE 11 -4.007 2.091 -9.908 94 HD13 ILE 11 3HD1 ILE 11 -3.803 2.965 -11.426 95 H VAL 12 H VAL 12 -2.120 5.563 -7.099 96 HA VAL 12 HA VAL 12 -3.097 6.722 -4.781 97 HB VAL 12 HB VAL 12 -0.217 6.281 -5.576 98 HG11 VAL 12 1HG1 VAL 12 -0.317 7.885 -3.772 99 HG12 VAL 12 2HG1 VAL 12 -1.419 6.845 -2.868 100 HG13 VAL 12 3HG1 VAL 12 0.245 6.333 -3.152 101 HG21 VAL 12 1HG2 VAL 12 -1.684 4.562 -3.645 102 HG22 VAL 12 2HG2 VAL 12 -2.028 4.366 -5.364 103 HG23 VAL 12 3HG2 VAL 12 -0.384 4.151 -4.764 104 H LYS 13 H LYS 13 -1.333 8.169 -7.424 105 HA LYS 13 HA LYS 13 -0.728 10.608 -6.040 106 HB2 LYS 13 2HB LYS 13 0.618 10.950 -7.789 107 HB3 LYS 13 3HB LYS 13 0.089 9.398 -8.424 108 HG2 LYS 13 2HG LYS 13 -1.711 10.512 -9.647 109 HG3 LYS 13 3HG LYS 13 -1.174 12.069 -9.012 110 HD2 LYS 13 2HD LYS 13 0.572 10.234 -10.647 111 HD3 LYS 13 3HD LYS 13 -0.389 11.545 -11.337 112 HE2 LYS 13 2HE LYS 13 1.710 11.890 -9.198 113 HE3 LYS 13 3HE LYS 13 1.979 12.161 -10.919 114 HZ1 LYS 13 1HZ LYS 13 0.158 13.662 -9.124 115 HZ2 LYS 13 2HZ LYS 13 0.143 13.825 -10.808 116 HZ3 LYS 13 3HZ LYS 13 1.525 14.248 -9.929 117 H LYS 14 H LYS 14 -3.294 9.452 -8.130 118 HA LYS 14 HA LYS 14 -4.501 12.034 -8.479 119 HB2 LYS 14 2HB LYS 14 -5.530 9.242 -9.012 120 HB3 LYS 14 3HB LYS 14 -6.400 10.712 -9.433 121 HG2 LYS 14 2HG LYS 14 -3.740 9.816 -10.518 122 HG3 LYS 14 3HG LYS 14 -5.281 9.863 -11.378 123 HD2 LYS 14 2HD LYS 14 -5.331 12.319 -11.064 124 HD3 LYS 14 3HD LYS 14 -3.736 12.227 -10.314 125 HE2 LYS 14 2HE LYS 14 -3.169 12.742 -12.478 126 HE3 LYS 14 3HE LYS 14 -3.104 10.981 -12.529 127 HZ1 LYS 14 1HZ LYS 14 -5.702 12.080 -13.121 128 HZ2 LYS 14 2HZ LYS 14 -4.820 10.887 -13.934 129 HZ3 LYS 14 3HZ LYS 14 -4.507 12.522 -14.234 130 H LEU 15 H LEU 15 -5.288 9.135 -6.574 131 HA LEU 15 HA LEU 15 -7.601 10.083 -5.350 132 HB2 LEU 15 2HB LEU 15 -5.538 8.058 -4.619 133 HB3 LEU 15 3HB LEU 15 -6.758 8.505 -3.429 134 HG LEU 15 HG LEU 15 -7.177 6.427 -4.862 135 HD11 LEU 15 1HD1 LEU 15 -9.105 6.826 -3.813 136 HD12 LEU 15 2HD1 LEU 15 -9.631 7.562 -5.327 137 HD13 LEU 15 3HD1 LEU 15 -8.971 8.570 -4.039 138 HD21 LEU 15 1HD2 LEU 15 -8.186 6.820 -7.037 139 HD22 LEU 15 2HD2 LEU 15 -6.531 7.428 -7.006 140 HD23 LEU 15 3HD2 LEU 15 -7.886 8.551 -6.883 141 H THR 16 H THR 16 -4.235 10.685 -4.621 142 HA THR 16 HA THR 16 -4.698 11.867 -2.058 143 HB THR 16 HB THR 16 -2.307 12.087 -3.896 144 HG1 THR 16 HG1 THR 16 -1.452 10.507 -2.445 145 HG21 THR 16 1HG2 THR 16 -1.473 12.459 -1.280 146 HG22 THR 16 2HG2 THR 16 -2.959 13.403 -1.389 147 HG23 THR 16 3HG2 THR 16 -1.635 13.710 -2.512 148 H GLN 17 H GLN 17 -4.657 13.012 -5.348 149 HA GLN 17 HA GLN 17 -4.244 15.730 -4.980 150 HB2 GLN 17 2HB GLN 17 -4.756 14.185 -7.126 151 HB3 GLN 17 3HB GLN 17 -6.325 14.958 -6.942 152 HG2 GLN 17 2HG GLN 17 -4.671 17.090 -6.722 153 HG3 GLN 17 3HG GLN 17 -3.765 16.067 -7.836 154 HE21 GLN 17 1HE2 GLN 17 -5.242 15.061 -9.578 155 HE22 GLN 17 2HE2 GLN 17 -6.318 16.165 -10.357 156 H TYR 18 H TYR 18 -6.990 13.777 -4.189 157 HA TYR 18 HA TYR 18 -8.678 16.122 -3.747 158 HB2 TYR 18 2HB TYR 18 -9.300 13.170 -3.515 159 HB3 TYR 18 3HB TYR 18 -10.464 14.471 -3.289 160 HD1 TYR 18 HD1 TYR 18 -8.141 13.012 -5.805 161 HD2 TYR 18 HD2 TYR 18 -11.651 15.316 -5.114 162 HE1 TYR 18 HE1 TYR 18 -8.622 12.991 -8.217 163 HE2 TYR 18 HE2 TYR 18 -12.142 15.301 -7.524 164 HH TYR 18 HH TYR 18 -10.406 14.969 -9.753 165 H GLU 19 H GLU 19 -6.840 13.728 -2.024 166 HA GLU 19 HA GLU 19 -8.038 14.169 0.531 167 HB2 GLU 19 2HB GLU 19 -5.357 12.973 -0.195 168 HB3 GLU 19 3HB GLU 19 -6.089 12.919 1.403 169 HG2 GLU 19 2HG GLU 19 -7.417 11.767 -1.030 170 HG3 GLU 19 3HG GLU 19 -6.313 10.844 -0.012 171 H ILE 20 H ILE 20 -5.257 15.486 -1.179 172 HA ILE 20 HA ILE 20 -3.977 16.830 0.873 173 HB ILE 20 HB ILE 20 -4.323 17.781 -1.973 174 HG12 ILE 20 2HG1 ILE 20 -1.805 16.517 -1.077 175 HG13 ILE 20 3HG1 ILE 20 -3.193 15.441 -1.191 176 HG21 ILE 20 1HG2 ILE 20 -1.837 18.562 -0.926 177 HG22 ILE 20 2HG2 ILE 20 -3.203 19.592 -1.350 178 HG23 ILE 20 3HG2 ILE 20 -3.042 18.975 0.294 179 HD11 ILE 20 1HD1 ILE 20 -1.574 16.625 -3.285 180 HD12 ILE 20 2HD1 ILE 20 -2.654 15.231 -3.334 181 HD13 ILE 20 3HD1 ILE 20 -3.302 16.857 -3.544 182 H ALA 21 H ALA 21 -6.909 17.665 -0.845 183 HA ALA 21 HA ALA 21 -7.190 20.342 -0.255 184 HB1 ALA 21 1HB ALA 21 -9.640 18.739 0.061 185 HB2 ALA 21 2HB ALA 21 -9.309 20.117 -0.990 186 HB3 ALA 21 3HB ALA 21 -8.759 18.505 -1.449 187 H TRP 22 H TRP 22 -8.043 17.559 1.776 188 HA TRP 22 HA TRP 22 -9.256 18.861 3.885 189 HB2 TRP 22 2HB TRP 22 -9.180 16.438 3.751 190 HB3 TRP 22 3HB TRP 22 -7.431 16.450 3.959 191 HD1 TRP 22 HD1 TRP 22 -6.529 17.232 6.442 192 HE1 TRP 22 HE1 TRP 22 -7.616 16.917 8.754 193 HE3 TRP 22 HE3 TRP 22 -11.335 16.311 4.962 194 HZ2 TRP 22 HZ2 TRP 22 -10.172 16.352 9.810 195 HZ3 TRP 22 HZ3 TRP 22 -13.040 15.892 6.685 196 HH2 TRP 22 HH2 TRP 22 -12.469 15.912 9.059 197 H PHE 23 H PHE 23 -5.796 18.320 3.334 198 HA PHE 23 HA PHE 23 -5.013 19.632 5.760 199 HB2 PHE 23 2HB PHE 23 -3.465 18.034 5.039 200 HB3 PHE 23 3HB PHE 23 -3.547 18.571 3.364 201 HD1 PHE 23 HD1 PHE 23 -2.285 19.461 6.722 202 HD2 PHE 23 HD2 PHE 23 -2.069 20.201 2.536 203 HE1 PHE 23 HE1 PHE 23 -0.277 20.838 7.072 204 HE2 PHE 23 HE2 PHE 23 -0.060 21.578 2.880 205 HZ PHE 23 HZ PHE 23 0.839 21.898 5.150 206 H LYS 24 H LYS 24 -5.547 20.580 2.453 207 HA LYS 24 HA LYS 24 -4.128 23.001 2.426 208 HB2 LYS 24 2HB LYS 24 -5.005 21.950 0.394 209 HB3 LYS 24 3HB LYS 24 -6.651 22.251 0.937 210 HG2 LYS 24 2HG LYS 24 -6.409 24.019 -0.457 211 HG3 LYS 24 3HG LYS 24 -5.765 24.749 1.016 212 HD2 LYS 24 2HD LYS 24 -3.483 23.938 0.225 213 HD3 LYS 24 3HD LYS 24 -4.254 23.631 -1.333 214 HE2 LYS 24 2HE LYS 24 -4.349 26.297 0.063 215 HE3 LYS 24 3HE LYS 24 -3.096 25.860 -1.098 216 HZ1 LYS 24 1HZ LYS 24 -5.822 25.430 -1.985 217 HZ2 LYS 24 2HZ LYS 24 -4.499 26.072 -2.821 218 HZ3 LYS 24 3HZ LYS 24 -5.386 27.050 -1.762 219 H ASN 25 H ASN 25 -7.227 22.136 3.762 220 HA ASN 25 HA ASN 25 -8.101 24.852 4.138 221 HB2 ASN 25 2HB ASN 25 -9.143 22.204 5.153 222 HB3 ASN 25 3HB ASN 25 -9.894 23.748 5.545 223 HD21 ASN 25 1HD2 ASN 25 -9.742 21.212 3.356 224 HD22 ASN 25 2HD2 ASN 25 -10.677 21.915 2.085 225 H LYS 26 H LYS 26 -5.917 22.835 5.702 226 HA LYS 26 HA LYS 26 -6.314 24.034 8.333 227 HB2 LYS 26 2HB LYS 26 -4.161 22.072 7.559 228 HB3 LYS 26 3HB LYS 26 -4.786 22.417 9.166 229 HG2 LYS 26 2HG LYS 26 -6.369 21.120 6.958 230 HG3 LYS 26 3HG LYS 26 -5.544 20.252 8.255 231 HD2 LYS 26 2HD LYS 26 -7.145 22.307 9.410 232 HD3 LYS 26 3HD LYS 26 -8.138 21.396 8.270 233 HE2 LYS 26 2HE LYS 26 -7.630 19.336 9.376 234 HE3 LYS 26 3HE LYS 26 -6.427 20.120 10.398 235 HZ1 LYS 26 1HZ LYS 26 -8.031 20.441 11.871 236 HZ2 LYS 26 2HZ LYS 26 -9.215 19.864 10.810 237 HZ3 LYS 26 3HZ LYS 26 -8.787 21.500 10.790 238 H HIS 27 H HIS 27 -4.143 24.144 5.601 239 HA HIS 27 HA HIS 27 -2.801 26.445 6.818 240 HB2 HIS 27 2HB HIS 27 -1.311 24.195 5.451 241 HB3 HIS 27 3HB HIS 27 -0.601 25.655 6.134 242 HD1 HIS 27 HD1 HIS 27 -2.292 22.451 7.184 243 HD2 HIS 27 HD2 HIS 27 -0.068 25.550 8.831 244 HE1 HIS 27 HE1 HIS 27 -1.746 21.716 9.526 245 H GLY 28 H GLY 28 -3.203 24.478 3.883 246 HA2 GLY 28 2HA GLY 28 -4.025 25.387 1.841 247 HA3 GLY 28 3HA GLY 28 -3.456 26.970 2.351 248 H TYR 29 H TYR 29 -1.443 24.143 2.652 249 HA TYR 29 HA TYR 29 0.148 25.063 0.350 250 HB2 TYR 29 2HB TYR 29 1.056 24.306 3.116 251 HB3 TYR 29 3HB TYR 29 2.148 24.201 1.740 252 HD1 TYR 29 HD1 TYR 29 -0.169 26.619 3.395 253 HD2 TYR 29 HD2 TYR 29 3.426 26.051 1.192 254 HE1 TYR 29 HE1 TYR 29 0.347 29.012 3.632 255 HE2 TYR 29 HE2 TYR 29 3.953 28.442 1.424 256 HH TYR 29 HH TYR 29 2.785 30.553 1.832 257 H TYR 30 H TYR 30 2.029 23.167 0.181 258 HA TYR 30 HA TYR 30 0.764 20.546 0.293 259 HB2 TYR 30 2HB TYR 30 1.969 21.384 -2.322 260 HB3 TYR 30 3HB TYR 30 0.823 20.089 -1.991 261 HD1 TYR 30 HD1 TYR 30 1.181 23.751 -2.340 262 HD2 TYR 30 HD2 TYR 30 -1.522 20.478 -2.056 263 HE1 TYR 30 HE1 TYR 30 -0.670 25.230 -3.002 264 HE2 TYR 30 HE2 TYR 30 -3.380 21.946 -2.719 265 HH TYR 30 HH TYR 30 -3.949 23.970 -3.469 266 HA PRO 31 HA PRO 31 5.456 20.060 -0.757 267 HB2 PRO 31 2HB PRO 31 6.907 22.336 -1.051 268 HB3 PRO 31 3HB PRO 31 6.080 21.543 -2.398 269 HG2 PRO 31 2HG PRO 31 5.218 23.905 -0.773 270 HG3 PRO 31 3HG PRO 31 5.127 23.660 -2.527 271 HD2 PRO 31 2HD PRO 31 2.990 23.331 -0.896 272 HD3 PRO 31 3HD PRO 31 3.220 22.375 -2.374 273 H TRP 32 H TRP 32 7.672 21.118 0.317 274 HA TRP 32 HA TRP 32 7.105 21.016 3.147 275 HB2 TRP 32 2HB TRP 32 9.385 20.625 3.458 276 HB3 TRP 32 3HB TRP 32 9.078 19.904 1.880 277 HD1 TRP 32 HD1 TRP 32 11.060 22.636 3.575 278 HE1 TRP 32 HE1 TRP 32 12.602 23.766 1.851 279 HE3 TRP 32 HE3 TRP 32 9.182 20.536 -0.691 280 HZ2 TRP 32 HZ2 TRP 32 12.972 23.767 -0.947 281 HZ3 TRP 32 HZ3 TRP 32 10.186 21.155 -2.851 282 HH2 TRP 32 HH2 TRP 32 12.041 22.738 -2.974 283 H GLU 33 H GLU 33 6.879 23.443 1.039 284 HA GLU 33 HA GLU 33 8.277 25.487 2.550 285 HB2 GLU 33 2HB GLU 33 6.369 25.913 0.253 286 HB3 GLU 33 3HB GLU 33 7.622 27.003 0.831 287 HG2 GLU 33 2HG GLU 33 9.345 25.543 0.030 288 HG3 GLU 33 3HG GLU 33 8.159 24.313 -0.402 289 H ILE 34 H ILE 34 6.496 24.266 4.194 290 HA ILE 34 HA ILE 34 4.099 25.937 4.286 291 HB ILE 34 HB ILE 34 4.873 23.588 6.019 292 HG12 ILE 34 2HG1 ILE 34 2.627 23.510 4.060 293 HG13 ILE 34 3HG1 ILE 34 4.267 23.378 3.435 294 HG21 ILE 34 1HG2 ILE 34 3.364 25.211 7.109 295 HG22 ILE 34 2HG2 ILE 34 2.224 25.006 5.780 296 HG23 ILE 34 3HG2 ILE 34 2.602 23.645 6.835 297 HD11 ILE 34 1HD1 ILE 34 2.840 21.266 4.136 298 HD12 ILE 34 2HD1 ILE 34 4.591 21.327 4.344 299 HD13 ILE 34 3HD1 ILE 34 3.528 21.641 5.716 300 HA PRO 35 HA PRO 35 5.922 28.641 7.275 301 HB2 PRO 35 2HB PRO 35 3.635 29.863 8.079 302 HB3 PRO 35 3HB PRO 35 4.416 30.210 6.532 303 HG2 PRO 35 2HG PRO 35 2.078 28.434 7.117 304 HG3 PRO 35 3HG PRO 35 2.303 29.586 5.788 305 HD2 PRO 35 2HD PRO 35 2.663 26.920 5.481 306 HD3 PRO 35 3HD PRO 35 3.601 28.121 4.571 307 H ARG 36 H ARG 36 4.989 29.460 9.601 308 HA ARG 36 HA ARG 36 4.726 26.988 11.156 309 HB2 ARG 36 2HB ARG 36 5.405 29.725 12.222 310 HB3 ARG 36 3HB ARG 36 5.659 28.169 13.000 311 HG2 ARG 36 2HG ARG 36 7.095 29.186 10.557 312 HG3 ARG 36 3HG ARG 36 7.752 29.084 12.191 313 HD2 ARG 36 2HD ARG 36 7.085 26.563 11.979 314 HD3 ARG 36 3HD ARG 36 7.136 26.902 10.249 315 HE ARG 36 HE ARG 36 9.414 26.945 10.373 316 HH11 ARG 36 1HH1 ARG 36 8.109 27.342 13.576 317 HH12 ARG 36 2HH1 ARG 36 9.654 27.258 14.357 318 HH21 ARG 36 1HH2 ARG 36 11.453 26.832 11.389 319 HH22 ARG 36 2HH2 ARG 36 11.555 26.968 13.112 320 H CYS 37 H CYS 37 3.394 27.095 13.146 321 HA CYS 37 HA CYS 37 0.999 28.762 12.734 322 HB2 CYS 37 2HB CYS 37 0.872 26.183 12.345 323 HB3 CYS 37 3HB CYS 37 0.879 26.095 14.102 324 HG CYS 37 HG CYS 37 -1.754 25.839 13.312 Start of MODEL 16 1 H MET 1 H MET 1 6.643 -0.889 -1.629 2 HA MET 1 HA MET 1 4.733 -0.106 0.138 3 HB2 MET 1 2HB MET 1 7.188 0.016 1.460 4 HB3 MET 1 3HB MET 1 6.828 1.685 1.042 5 HG2 MET 1 2HG MET 1 5.522 1.784 2.819 6 HG3 MET 1 3HG MET 1 4.438 0.641 2.028 7 HE1 MET 1 1HE MET 1 4.777 -2.559 3.879 8 HE2 MET 1 2HE MET 1 3.600 -1.304 3.492 9 HE3 MET 1 3HE MET 1 4.658 -1.940 2.231 10 H LYS 2 H LYS 2 3.697 1.028 -1.376 11 HA LYS 2 HA LYS 2 3.217 2.595 -2.955 12 HB2 LYS 2 2HB LYS 2 5.179 3.978 -1.171 13 HB3 LYS 2 3HB LYS 2 4.654 4.780 -2.645 14 HG2 LYS 2 2HG LYS 2 2.363 4.718 -1.930 15 HG3 LYS 2 3HG LYS 2 2.790 3.748 -0.518 16 HD2 LYS 2 2HD LYS 2 4.139 5.597 0.345 17 HD3 LYS 2 3HD LYS 2 3.727 6.564 -1.073 18 HE2 LYS 2 2HE LYS 2 2.032 7.341 0.160 19 HE3 LYS 2 3HE LYS 2 1.267 5.782 -0.145 20 HZ1 LYS 2 1HZ LYS 2 1.802 5.011 1.932 21 HZ2 LYS 2 2HZ LYS 2 1.536 6.647 2.270 22 HZ3 LYS 2 3HZ LYS 2 3.116 6.060 2.123 23 H PHE 3 H PHE 3 4.217 0.980 -4.456 24 HA PHE 3 HA PHE 3 6.836 1.227 -5.421 25 HB2 PHE 3 2HB PHE 3 4.303 0.066 -6.523 26 HB3 PHE 3 3HB PHE 3 5.718 0.199 -7.562 27 HD1 PHE 3 HD1 PHE 3 6.784 -1.810 -7.805 28 HD2 PHE 3 HD2 PHE 3 5.175 -0.782 -4.000 29 HE1 PHE 3 HE1 PHE 3 7.668 -3.907 -6.869 30 HE2 PHE 3 HE2 PHE 3 6.058 -2.877 -3.058 31 HZ PHE 3 HZ PHE 3 7.306 -4.442 -4.492 32 H LYS 4 H LYS 4 7.393 1.903 -7.690 33 HA LYS 4 HA LYS 4 6.089 4.474 -8.298 34 HB2 LYS 4 2HB LYS 4 8.919 3.710 -9.012 35 HB3 LYS 4 3HB LYS 4 8.189 5.309 -9.071 36 HG2 LYS 4 2HG LYS 4 9.124 5.645 -7.084 37 HG3 LYS 4 3HG LYS 4 7.871 4.583 -6.439 38 HD2 LYS 4 2HD LYS 4 9.813 3.622 -5.618 39 HD3 LYS 4 3HD LYS 4 9.511 2.676 -7.077 40 HE2 LYS 4 2HE LYS 4 11.066 5.001 -7.717 41 HE3 LYS 4 3HE LYS 4 11.829 4.114 -6.399 42 HZ1 LYS 4 1HZ LYS 4 12.527 3.402 -8.656 43 HZ2 LYS 4 2HZ LYS 4 10.951 2.857 -8.939 44 HZ3 LYS 4 3HZ LYS 4 11.883 2.151 -7.717 45 H PHE 5 H PHE 5 7.220 1.437 -9.570 46 HA PHE 5 HA PHE 5 6.697 2.206 -12.320 47 HB2 PHE 5 2HB PHE 5 7.577 -0.411 -11.088 48 HB3 PHE 5 3HB PHE 5 7.354 -0.159 -12.816 49 HD1 PHE 5 HD1 PHE 5 8.884 1.255 -14.075 50 HD2 PHE 5 HD2 PHE 5 9.465 0.505 -9.926 51 HE1 PHE 5 HE1 PHE 5 11.194 2.083 -14.253 52 HE2 PHE 5 HE2 PHE 5 11.776 1.333 -10.097 53 HZ PHE 5 HZ PHE 5 12.643 2.124 -12.262 54 H ASN 6 H ASN 6 5.217 0.331 -9.758 55 HA ASN 6 HA ASN 6 3.332 -1.129 -11.149 56 HB2 ASN 6 2HB ASN 6 3.584 -0.077 -8.410 57 HB3 ASN 6 3HB ASN 6 1.929 -0.400 -8.920 58 HD21 ASN 6 1HD2 ASN 6 1.529 -2.172 -7.720 59 HD22 ASN 6 2HD2 ASN 6 2.380 -3.667 -7.879 60 HA PRO 7 HA PRO 7 0.375 1.633 -12.845 61 HB2 PRO 7 2HB PRO 7 -1.969 0.350 -12.367 62 HB3 PRO 7 3HB PRO 7 -0.795 -0.209 -13.564 63 HG2 PRO 7 2HG PRO 7 -1.254 -1.172 -10.767 64 HG3 PRO 7 3HG PRO 7 -0.964 -2.114 -12.241 65 HD2 PRO 7 2HD PRO 7 0.981 -1.618 -10.423 66 HD3 PRO 7 3HD PRO 7 1.314 -1.776 -12.160 67 H THR 8 H THR 8 -0.261 0.548 -9.547 68 HA THR 8 HA THR 8 -2.264 2.367 -8.857 69 HB THR 8 HB THR 8 -1.442 0.381 -7.492 70 HG1 THR 8 HG1 THR 8 -2.882 2.191 -6.773 71 HG21 THR 8 1HG2 THR 8 0.948 1.045 -7.491 72 HG22 THR 8 2HG2 THR 8 0.309 0.779 -5.869 73 HG23 THR 8 3HG2 THR 8 0.536 2.421 -6.470 74 H GLY 9 H GLY 9 1.074 2.874 -9.454 75 HA2 GLY 9 2HA GLY 9 1.738 5.010 -7.834 76 HA3 GLY 9 3HA GLY 9 2.333 4.795 -9.474 77 H THR 10 H THR 10 -0.092 5.065 -10.865 78 HA THR 10 HA THR 10 -0.304 7.921 -10.913 79 HB THR 10 HB THR 10 -1.931 5.873 -12.431 80 HG1 THR 10 HG1 THR 10 -0.401 6.372 -14.113 81 HG21 THR 10 1HG2 THR 10 -2.319 8.624 -12.174 82 HG22 THR 10 2HG2 THR 10 -3.012 7.567 -13.405 83 HG23 THR 10 3HG2 THR 10 -1.504 8.423 -13.724 84 H ILE 11 H ILE 11 -2.605 5.289 -10.230 85 HA ILE 11 HA ILE 11 -4.828 6.829 -9.623 86 HB ILE 11 HB ILE 11 -4.005 4.206 -8.372 87 HG12 ILE 11 2HG1 ILE 11 -6.053 3.726 -10.153 88 HG13 ILE 11 3HG1 ILE 11 -5.112 4.965 -10.977 89 HG21 ILE 11 1HG2 ILE 11 -6.394 3.931 -7.864 90 HG22 ILE 11 2HG2 ILE 11 -5.689 5.311 -7.024 91 HG23 ILE 11 3HG2 ILE 11 -6.694 5.567 -8.450 92 HD11 ILE 11 1HD1 ILE 11 -4.101 3.075 -11.749 93 HD12 ILE 11 2HD1 ILE 11 -3.104 3.407 -10.332 94 HD13 ILE 11 3HD1 ILE 11 -4.371 2.183 -10.253 95 H VAL 12 H VAL 12 -2.426 5.522 -7.331 96 HA VAL 12 HA VAL 12 -3.415 6.669 -5.012 97 HB VAL 12 HB VAL 12 -0.535 6.136 -5.749 98 HG11 VAL 12 1HG1 VAL 12 -0.132 6.119 -3.312 99 HG12 VAL 12 2HG1 VAL 12 -0.620 7.705 -3.911 100 HG13 VAL 12 3HG1 VAL 12 -1.781 6.687 -3.058 101 HG21 VAL 12 1HG2 VAL 12 -2.472 4.305 -5.574 102 HG22 VAL 12 2HG2 VAL 12 -0.815 3.992 -5.057 103 HG23 VAL 12 3HG2 VAL 12 -2.045 4.420 -3.867 104 H LYS 13 H LYS 13 -1.533 8.103 -7.581 105 HA LYS 13 HA LYS 13 -0.871 10.488 -6.130 106 HB2 LYS 13 2HB LYS 13 0.529 10.815 -7.839 107 HB3 LYS 13 3HB LYS 13 -0.042 9.297 -8.519 108 HG2 LYS 13 2HG LYS 13 -1.768 10.503 -9.760 109 HG3 LYS 13 3HG LYS 13 -1.189 12.025 -9.080 110 HD2 LYS 13 2HD LYS 13 0.416 10.146 -10.814 111 HD3 LYS 13 3HD LYS 13 -0.328 11.656 -11.346 112 HE2 LYS 13 2HE LYS 13 1.060 12.661 -9.353 113 HE3 LYS 13 3HE LYS 13 2.038 11.213 -9.586 114 HZ1 LYS 13 1HZ LYS 13 3.073 12.369 -11.159 115 HZ2 LYS 13 2HZ LYS 13 1.896 13.584 -11.179 116 HZ3 LYS 13 3HZ LYS 13 1.683 12.185 -12.106 117 H LYS 14 H LYS 14 -3.426 9.473 -8.305 118 HA LYS 14 HA LYS 14 -4.527 12.105 -8.628 119 HB2 LYS 14 2HB LYS 14 -5.647 9.366 -9.243 120 HB3 LYS 14 3HB LYS 14 -6.451 10.876 -9.653 121 HG2 LYS 14 2HG LYS 14 -3.801 9.903 -10.695 122 HG3 LYS 14 3HG LYS 14 -5.318 10.025 -11.589 123 HD2 LYS 14 2HD LYS 14 -5.285 12.475 -11.223 124 HD3 LYS 14 3HD LYS 14 -3.712 12.307 -10.439 125 HE2 LYS 14 2HE LYS 14 -3.027 12.809 -12.557 126 HE3 LYS 14 3HE LYS 14 -3.126 11.054 -12.693 127 HZ1 LYS 14 1HZ LYS 14 -4.686 11.242 -14.237 128 HZ2 LYS 14 2HZ LYS 14 -4.427 12.913 -14.253 129 HZ3 LYS 14 3HZ LYS 14 -5.633 12.253 -13.266 130 H LEU 15 H LEU 15 -5.469 9.201 -6.802 131 HA LEU 15 HA LEU 15 -7.773 10.212 -5.613 132 HB2 LEU 15 2HB LEU 15 -5.806 8.095 -4.877 133 HB3 LEU 15 3HB LEU 15 -7.038 8.565 -3.707 134 HG LEU 15 HG LEU 15 -7.497 6.533 -5.195 135 HD11 LEU 15 1HD1 LEU 15 -9.629 6.819 -4.619 136 HD12 LEU 15 2HD1 LEU 15 -9.793 8.262 -5.620 137 HD13 LEU 15 3HD1 LEU 15 -9.136 8.391 -3.989 138 HD21 LEU 15 1HD2 LEU 15 -8.087 8.725 -7.182 139 HD22 LEU 15 2HD2 LEU 15 -8.441 7.009 -7.383 140 HD23 LEU 15 3HD2 LEU 15 -6.767 7.561 -7.300 141 H THR 16 H THR 16 -4.406 10.670 -4.793 142 HA THR 16 HA THR 16 -4.885 11.816 -2.217 143 HB THR 16 HB THR 16 -2.444 11.984 -3.995 144 HG1 THR 16 HG1 THR 16 -1.728 10.416 -2.296 145 HG21 THR 16 1HG2 THR 16 -3.106 13.267 -1.471 146 HG22 THR 16 2HG2 THR 16 -1.748 13.554 -2.560 147 HG23 THR 16 3HG2 THR 16 -1.657 12.270 -1.355 148 H GLN 17 H GLN 17 -4.722 13.026 -5.480 149 HA GLN 17 HA GLN 17 -4.217 15.719 -5.044 150 HB2 GLN 17 2HB GLN 17 -4.551 14.382 -7.254 151 HB3 GLN 17 3HB GLN 17 -6.241 14.834 -7.075 152 HG2 GLN 17 2HG GLN 17 -5.829 17.063 -7.431 153 HG3 GLN 17 3HG GLN 17 -4.148 16.945 -6.911 154 HE21 GLN 17 1HE2 GLN 17 -2.612 16.054 -8.348 155 HE22 GLN 17 2HE2 GLN 17 -2.893 16.038 -10.052 156 H TYR 18 H TYR 18 -7.053 13.855 -4.360 157 HA TYR 18 HA TYR 18 -8.662 16.252 -3.908 158 HB2 TYR 18 2HB TYR 18 -9.399 13.323 -3.754 159 HB3 TYR 18 3HB TYR 18 -10.519 14.661 -3.527 160 HD1 TYR 18 HD1 TYR 18 -11.632 15.583 -5.360 161 HD2 TYR 18 HD2 TYR 18 -8.191 13.169 -6.019 162 HE1 TYR 18 HE1 TYR 18 -12.065 15.637 -7.781 163 HE2 TYR 18 HE2 TYR 18 -8.614 13.217 -8.441 164 HH TYR 18 HH TYR 18 -10.368 15.320 -9.961 165 H GLU 19 H GLU 19 -6.957 13.756 -2.194 166 HA GLU 19 HA GLU 19 -8.198 14.189 0.341 167 HB2 GLU 19 2HB GLU 19 -5.547 12.908 -0.346 168 HB3 GLU 19 3HB GLU 19 -6.321 12.848 1.231 169 HG2 GLU 19 2HG GLU 19 -7.635 11.802 -1.256 170 HG3 GLU 19 3HG GLU 19 -6.583 10.815 -0.242 171 H ILE 20 H ILE 20 -5.329 15.434 -1.274 172 HA ILE 20 HA ILE 20 -4.051 16.686 0.836 173 HB ILE 20 HB ILE 20 -4.290 17.707 -1.997 174 HG12 ILE 20 2HG1 ILE 20 -1.844 16.331 -1.068 175 HG13 ILE 20 3HG1 ILE 20 -3.269 15.311 -1.238 176 HG21 ILE 20 1HG2 ILE 20 -1.804 18.371 -0.874 177 HG22 ILE 20 2HG2 ILE 20 -3.119 19.461 -1.309 178 HG23 ILE 20 3HG2 ILE 20 -3.022 18.806 0.325 179 HD11 ILE 20 1HD1 ILE 20 -2.702 15.125 -3.373 180 HD12 ILE 20 2HD1 ILE 20 -3.251 16.791 -3.561 181 HD13 ILE 20 3HD1 ILE 20 -1.547 16.453 -3.263 182 H ALA 21 H ALA 21 -6.905 17.667 -0.935 183 HA ALA 21 HA ALA 21 -7.100 20.341 -0.295 184 HB1 ALA 21 1HB ALA 21 -9.381 18.370 -0.369 185 HB2 ALA 21 2HB ALA 21 -9.494 20.118 -0.576 186 HB3 ALA 21 3HB ALA 21 -8.655 19.140 -1.780 187 H TRP 22 H TRP 22 -8.108 17.552 1.655 188 HA TRP 22 HA TRP 22 -9.324 18.856 3.761 189 HB2 TRP 22 2HB TRP 22 -9.327 16.430 3.566 190 HB3 TRP 22 3HB TRP 22 -7.588 16.380 3.842 191 HD1 TRP 22 HD1 TRP 22 -6.732 16.826 6.358 192 HE1 TRP 22 HE1 TRP 22 -7.929 16.603 8.625 193 HE3 TRP 22 HE3 TRP 22 -11.570 16.709 4.712 194 HZ2 TRP 22 HZ2 TRP 22 -10.575 16.403 9.588 195 HZ3 TRP 22 HZ3 TRP 22 -13.376 16.500 6.371 196 HH2 TRP 22 HH2 TRP 22 -12.886 16.349 8.758 197 H PHE 23 H PHE 23 -5.874 18.194 3.284 198 HA PHE 23 HA PHE 23 -5.104 19.426 5.755 199 HB2 PHE 23 2HB PHE 23 -3.599 17.785 5.038 200 HB3 PHE 23 3HB PHE 23 -3.619 18.359 3.374 201 HD1 PHE 23 HD1 PHE 23 -2.409 19.131 6.779 202 HD2 PHE 23 HD2 PHE 23 -2.060 19.946 2.616 203 HE1 PHE 23 HE1 PHE 23 -0.360 20.423 7.207 204 HE2 PHE 23 HE2 PHE 23 -0.010 21.239 3.037 205 HZ PHE 23 HZ PHE 23 0.844 21.478 5.335 206 H LYS 24 H LYS 24 -5.518 20.460 2.456 207 HA LYS 24 HA LYS 24 -4.008 22.826 2.516 208 HB2 LYS 24 2HB LYS 24 -4.874 21.850 0.441 209 HB3 LYS 24 3HB LYS 24 -6.520 22.203 0.950 210 HG2 LYS 24 2HG LYS 24 -6.176 23.988 -0.399 211 HG3 LYS 24 3HG LYS 24 -5.542 24.663 1.104 212 HD2 LYS 24 2HD LYS 24 -3.273 23.782 0.353 213 HD3 LYS 24 3HD LYS 24 -4.015 23.535 -1.230 214 HE2 LYS 24 2HE LYS 24 -4.044 26.175 0.218 215 HE3 LYS 24 3HE LYS 24 -2.781 25.713 -0.921 216 HZ1 LYS 24 1HZ LYS 24 -4.445 25.493 -2.644 217 HZ2 LYS 24 2HZ LYS 24 -4.514 27.043 -1.971 218 HZ3 LYS 24 3HZ LYS 24 -5.678 25.888 -1.554 219 H ASN 25 H ASN 25 -7.170 22.053 3.758 220 HA ASN 25 HA ASN 25 -7.950 24.792 4.170 221 HB2 ASN 25 2HB ASN 25 -9.113 22.146 5.030 222 HB3 ASN 25 3HB ASN 25 -9.792 23.682 5.562 223 HD21 ASN 25 1HD2 ASN 25 -9.774 21.340 3.164 224 HD22 ASN 25 2HD2 ASN 25 -10.681 22.193 1.966 225 H LYS 26 H LYS 26 -5.884 22.662 5.743 226 HA LYS 26 HA LYS 26 -6.301 23.821 8.389 227 HB2 LYS 26 2HB LYS 26 -4.206 21.794 7.625 228 HB3 LYS 26 3HB LYS 26 -4.857 22.130 9.224 229 HG2 LYS 26 2HG LYS 26 -6.433 20.940 6.951 230 HG3 LYS 26 3HG LYS 26 -5.674 20.014 8.248 231 HD2 LYS 26 2HD LYS 26 -7.138 20.827 9.856 232 HD3 LYS 26 3HD LYS 26 -7.566 22.243 8.892 233 HE2 LYS 26 2HE LYS 26 -9.231 21.162 7.867 234 HE3 LYS 26 3HE LYS 26 -8.232 19.741 7.568 235 HZ1 LYS 26 1HZ LYS 26 -9.706 18.840 9.005 236 HZ2 LYS 26 2HZ LYS 26 -10.046 20.304 9.779 237 HZ3 LYS 26 3HZ LYS 26 -8.631 19.457 10.156 238 H HIS 27 H HIS 27 -4.060 23.903 5.714 239 HA HIS 27 HA HIS 27 -2.663 26.125 7.011 240 HB2 HIS 27 2HB HIS 27 -1.225 23.849 5.632 241 HB3 HIS 27 3HB HIS 27 -0.478 25.266 6.363 242 HD1 HIS 27 HD1 HIS 27 -2.314 22.109 7.304 243 HD2 HIS 27 HD2 HIS 27 -0.015 25.085 9.070 244 HE1 HIS 27 HE1 HIS 27 -1.855 21.305 9.642 245 H GLY 28 H GLY 28 -3.065 24.236 4.025 246 HA2 GLY 28 2HA GLY 28 -3.801 25.218 1.985 247 HA3 GLY 28 3HA GLY 28 -3.185 26.767 2.543 248 H TYR 29 H TYR 29 -1.289 23.860 2.832 249 HA TYR 29 HA TYR 29 0.393 24.765 0.589 250 HB2 TYR 29 2HB TYR 29 1.202 23.917 3.359 251 HB3 TYR 29 3HB TYR 29 2.323 23.799 2.007 252 HD1 TYR 29 HD1 TYR 29 3.686 25.608 1.533 253 HD2 TYR 29 HD2 TYR 29 0.059 26.270 3.657 254 HE1 TYR 29 HE1 TYR 29 4.297 27.972 1.828 255 HE2 TYR 29 HE2 TYR 29 0.660 28.636 3.957 256 HH TYR 29 HH TYR 29 2.100 30.252 3.426 257 H TYR 30 H TYR 30 2.205 22.802 0.424 258 HA TYR 30 HA TYR 30 0.839 20.230 0.450 259 HB2 TYR 30 2HB TYR 30 2.139 21.075 -2.117 260 HB3 TYR 30 3HB TYR 30 0.938 19.818 -1.841 261 HD1 TYR 30 HD1 TYR 30 -1.388 20.295 -1.957 262 HD2 TYR 30 HD2 TYR 30 1.441 23.470 -2.103 263 HE1 TYR 30 HE1 TYR 30 -3.173 21.847 -2.632 264 HE2 TYR 30 HE2 TYR 30 -0.336 25.030 -2.777 265 HH TYR 30 HH TYR 30 -2.910 24.433 -4.082 266 HA PRO 31 HA PRO 31 5.534 19.587 -0.498 267 HB2 PRO 31 2HB PRO 31 7.076 21.811 -0.708 268 HB3 PRO 31 3HB PRO 31 6.254 21.078 -2.091 269 HG2 PRO 31 2HG PRO 31 5.442 23.437 -0.437 270 HG3 PRO 31 3HG PRO 31 5.385 23.232 -2.197 271 HD2 PRO 31 2HD PRO 31 3.198 22.951 -0.625 272 HD3 PRO 31 3HD PRO 31 3.427 22.017 -2.118 273 H TRP 32 H TRP 32 7.761 20.536 0.652 274 HA TRP 32 HA TRP 32 7.120 20.399 3.464 275 HB2 TRP 32 2HB TRP 32 9.375 19.914 3.822 276 HB3 TRP 32 3HB TRP 32 9.081 19.237 2.223 277 HD1 TRP 32 HD1 TRP 32 11.124 21.856 4.021 278 HE1 TRP 32 HE1 TRP 32 12.748 22.960 2.358 279 HE3 TRP 32 HE3 TRP 32 9.271 19.917 -0.332 280 HZ2 TRP 32 HZ2 TRP 32 13.186 23.004 -0.430 281 HZ3 TRP 32 HZ3 TRP 32 10.350 20.540 -2.453 282 HH2 TRP 32 HH2 TRP 32 12.267 22.052 -2.499 283 H GLU 33 H GLU 33 7.039 22.875 1.404 284 HA GLU 33 HA GLU 33 8.476 24.833 2.991 285 HB2 GLU 33 2HB GLU 33 6.643 25.378 0.659 286 HB3 GLU 33 3HB GLU 33 7.921 26.408 1.289 287 HG2 GLU 33 2HG GLU 33 9.607 24.898 0.499 288 HG3 GLU 33 3HG GLU 33 8.386 23.724 0.013 289 H ILE 34 H ILE 34 6.609 23.647 4.566 290 HA ILE 34 HA ILE 34 4.276 25.407 4.636 291 HB ILE 34 HB ILE 34 4.917 22.994 6.337 292 HG12 ILE 34 2HG1 ILE 34 2.719 23.044 4.322 293 HG13 ILE 34 3HG1 ILE 34 4.368 22.860 3.735 294 HG21 ILE 34 1HG2 ILE 34 3.444 24.651 7.425 295 HG22 ILE 34 2HG2 ILE 34 2.331 24.519 6.064 296 HG23 ILE 34 3HG2 ILE 34 2.629 23.122 7.098 297 HD11 ILE 34 1HD1 ILE 34 3.049 20.743 4.163 298 HD12 ILE 34 2HD1 ILE 34 4.658 20.836 4.881 299 HD13 ILE 34 3HD1 ILE 34 3.230 21.102 5.880 300 HA PRO 35 HA PRO 35 6.126 27.977 7.724 301 HB2 PRO 35 2HB PRO 35 3.868 29.269 8.500 302 HB3 PRO 35 3HB PRO 35 4.700 29.617 6.979 303 HG2 PRO 35 2HG PRO 35 2.282 27.922 7.470 304 HG3 PRO 35 3HG PRO 35 2.584 29.091 6.172 305 HD2 PRO 35 2HD PRO 35 2.849 26.420 5.817 306 HD3 PRO 35 3HD PRO 35 3.854 27.602 4.955 307 H ARG 36 H ARG 36 5.176 28.781 10.045 308 HA ARG 36 HA ARG 36 4.606 26.293 11.511 309 HB2 ARG 36 2HB ARG 36 5.688 27.363 13.443 310 HB3 ARG 36 3HB ARG 36 6.772 27.262 12.062 311 HG2 ARG 36 2HG ARG 36 5.277 29.757 12.149 312 HG3 ARG 36 3HG ARG 36 6.286 29.497 13.573 313 HD2 ARG 36 2HD ARG 36 8.247 29.392 12.312 314 HD3 ARG 36 3HD ARG 36 7.373 29.080 10.812 315 HE ARG 36 HE ARG 36 6.540 31.561 11.566 316 HH11 ARG 36 1HH1 ARG 36 9.645 30.089 11.006 317 HH12 ARG 36 2HH1 ARG 36 10.395 31.562 10.487 318 HH21 ARG 36 1HH2 ARG 36 7.517 33.507 10.885 319 HH22 ARG 36 2HH2 ARG 36 9.184 33.506 10.420 320 H CYS 37 H CYS 37 3.299 26.484 13.463 321 HA CYS 37 HA CYS 37 0.862 27.777 13.006 322 HB2 CYS 37 2HB CYS 37 2.048 26.145 15.113 323 HB3 CYS 37 3HB CYS 37 0.933 27.350 15.745 324 HG CYS 37 HG CYS 37 -0.942 25.578 15.506 Start of MODEL 17 1 H MET 1 H MET 1 7.754 -1.698 0.418 2 HA MET 1 HA MET 1 5.883 -1.233 -1.067 3 HB2 MET 1 2HB MET 1 4.420 0.114 0.473 4 HB3 MET 1 3HB MET 1 5.197 -1.276 1.218 5 HG2 MET 1 2HG MET 1 6.543 0.001 2.537 6 HG3 MET 1 3HG MET 1 6.569 1.346 1.398 7 HE1 MET 1 1HE MET 1 4.630 0.130 4.817 8 HE2 MET 1 2HE MET 1 3.042 0.209 4.055 9 HE3 MET 1 3HE MET 1 4.289 -0.844 3.386 10 H LYS 2 H LYS 2 4.305 0.835 -1.379 11 HA LYS 2 HA LYS 2 3.971 2.689 -2.658 12 HB2 LYS 2 2HB LYS 2 6.478 3.667 -1.280 13 HB3 LYS 2 3HB LYS 2 5.273 4.669 -2.077 14 HG2 LYS 2 2HG LYS 2 3.650 4.197 -0.423 15 HG3 LYS 2 3HG LYS 2 4.632 2.904 0.269 16 HD2 LYS 2 2HD LYS 2 5.920 4.338 1.445 17 HD3 LYS 2 3HD LYS 2 5.918 5.551 0.163 18 HE2 LYS 2 2HE LYS 2 4.762 6.430 2.083 19 HE3 LYS 2 3HE LYS 2 3.598 6.146 0.790 20 HZ1 LYS 2 1HZ LYS 2 3.836 4.867 3.380 21 HZ2 LYS 2 2HZ LYS 2 3.495 3.822 2.094 22 HZ3 LYS 2 3HZ LYS 2 2.466 5.125 2.420 23 H PHE 3 H PHE 3 4.736 1.026 -4.365 24 HA PHE 3 HA PHE 3 7.287 1.337 -5.550 25 HB2 PHE 3 2HB PHE 3 4.702 0.085 -6.391 26 HB3 PHE 3 3HB PHE 3 5.972 0.314 -7.589 27 HD1 PHE 3 HD1 PHE 3 7.030 -1.669 -8.027 28 HD2 PHE 3 HD2 PHE 3 5.978 -0.741 -4.008 29 HE1 PHE 3 HE1 PHE 3 8.120 -3.740 -7.267 30 HE2 PHE 3 HE2 PHE 3 7.067 -2.809 -3.242 31 HZ PHE 3 HZ PHE 3 8.141 -4.312 -4.872 32 H LYS 4 H LYS 4 7.608 2.103 -7.820 33 HA LYS 4 HA LYS 4 6.088 4.586 -8.280 34 HB2 LYS 4 2HB LYS 4 8.945 4.063 -9.106 35 HB3 LYS 4 3HB LYS 4 8.081 5.593 -9.168 36 HG2 LYS 4 2HG LYS 4 9.056 6.036 -7.219 37 HG3 LYS 4 3HG LYS 4 7.893 4.907 -6.520 38 HD2 LYS 4 2HD LYS 4 9.658 3.108 -7.181 39 HD3 LYS 4 3HD LYS 4 10.769 4.479 -7.224 40 HE2 LYS 4 2HE LYS 4 10.809 4.661 -4.989 41 HE3 LYS 4 3HE LYS 4 9.070 4.409 -4.846 42 HZ1 LYS 4 1HZ LYS 4 11.243 2.455 -4.776 43 HZ2 LYS 4 2HZ LYS 4 9.777 1.966 -5.462 44 HZ3 LYS 4 3HZ LYS 4 9.820 2.520 -3.865 45 H PHE 5 H PHE 5 7.301 1.643 -9.637 46 HA PHE 5 HA PHE 5 6.688 2.418 -12.365 47 HB2 PHE 5 2HB PHE 5 7.521 -0.278 -11.275 48 HB3 PHE 5 3HB PHE 5 7.480 0.193 -12.971 49 HD1 PHE 5 HD1 PHE 5 8.971 2.188 -13.650 50 HD2 PHE 5 HD2 PHE 5 9.467 -0.034 -10.053 51 HE1 PHE 5 HE1 PHE 5 11.296 2.975 -13.488 52 HE2 PHE 5 HE2 PHE 5 11.793 0.751 -9.886 53 HZ PHE 5 HZ PHE 5 12.710 2.258 -11.604 54 H ASN 6 H ASN 6 5.293 0.525 -9.774 55 HA ASN 6 HA ASN 6 3.409 -0.979 -11.114 56 HB2 ASN 6 2HB ASN 6 3.531 0.244 -8.395 57 HB3 ASN 6 3HB ASN 6 1.996 -0.434 -8.930 58 HD21 ASN 6 1HD2 ASN 6 2.678 -2.611 -10.320 59 HD22 ASN 6 2HD2 ASN 6 3.520 -3.743 -9.322 60 HA PRO 7 HA PRO 7 0.381 1.710 -12.800 61 HB2 PRO 7 2HB PRO 7 -1.934 0.393 -12.273 62 HB3 PRO 7 3HB PRO 7 -0.767 -0.161 -13.480 63 HG2 PRO 7 2HG PRO 7 -1.169 -1.097 -10.665 64 HG3 PRO 7 3HG PRO 7 -0.884 -2.052 -12.132 65 HD2 PRO 7 2HD PRO 7 1.078 -1.499 -10.349 66 HD3 PRO 7 3HD PRO 7 1.389 -1.673 -12.088 67 H THR 8 H THR 8 -0.190 0.655 -9.481 68 HA THR 8 HA THR 8 -2.214 2.448 -8.784 69 HB THR 8 HB THR 8 -1.338 0.493 -7.407 70 HG1 THR 8 HG1 THR 8 -2.489 1.390 -5.876 71 HG21 THR 8 1HG2 THR 8 0.429 0.941 -5.814 72 HG22 THR 8 2HG2 THR 8 0.618 2.580 -6.438 73 HG23 THR 8 3HG2 THR 8 1.039 1.197 -7.448 74 H GLY 9 H GLY 9 1.106 3.004 -9.435 75 HA2 GLY 9 2HA GLY 9 1.755 5.171 -7.851 76 HA3 GLY 9 3HA GLY 9 2.330 4.947 -9.497 77 H THR 10 H THR 10 -0.118 5.157 -10.855 78 HA THR 10 HA THR 10 -0.380 8.009 -10.935 79 HB THR 10 HB THR 10 -1.996 5.915 -12.403 80 HG1 THR 10 HG1 THR 10 -0.223 5.677 -13.521 81 HG21 THR 10 1HG2 THR 10 -2.428 8.660 -12.175 82 HG22 THR 10 2HG2 THR 10 -3.113 7.579 -13.389 83 HG23 THR 10 3HG2 THR 10 -1.623 8.458 -13.731 84 H ILE 11 H ILE 11 -2.625 5.346 -10.186 85 HA ILE 11 HA ILE 11 -4.866 6.854 -9.566 86 HB ILE 11 HB ILE 11 -3.979 4.262 -8.294 87 HG12 ILE 11 2HG1 ILE 11 -6.045 3.728 -10.041 88 HG13 ILE 11 3HG1 ILE 11 -5.131 4.968 -10.893 89 HG21 ILE 11 1HG2 ILE 11 -6.355 3.953 -7.748 90 HG22 ILE 11 2HG2 ILE 11 -5.664 5.356 -6.936 91 HG23 ILE 11 3HG2 ILE 11 -6.693 5.575 -8.352 92 HD11 ILE 11 1HD1 ILE 11 -4.111 3.073 -11.651 93 HD12 ILE 11 2HD1 ILE 11 -3.093 3.453 -10.262 94 HD13 ILE 11 3HD1 ILE 11 -4.336 2.209 -10.130 95 H VAL 12 H VAL 12 -2.408 5.619 -7.293 96 HA VAL 12 HA VAL 12 -3.384 6.778 -4.974 97 HB VAL 12 HB VAL 12 -0.505 6.285 -5.746 98 HG11 VAL 12 1HG1 VAL 12 -0.067 6.306 -3.316 99 HG12 VAL 12 2HG1 VAL 12 -0.591 7.876 -3.928 100 HG13 VAL 12 3HG1 VAL 12 -1.722 6.849 -3.045 101 HG21 VAL 12 1HG2 VAL 12 -1.482 4.473 -3.798 102 HG22 VAL 12 2HG2 VAL 12 -2.654 4.531 -5.115 103 HG23 VAL 12 3HG2 VAL 12 -0.969 4.133 -5.451 104 H LYS 13 H LYS 13 -1.564 8.211 -7.588 105 HA LYS 13 HA LYS 13 -0.923 10.625 -6.176 106 HB2 LYS 13 2HB LYS 13 0.446 10.955 -7.910 107 HB3 LYS 13 3HB LYS 13 -0.108 9.419 -8.563 108 HG2 LYS 13 2HG LYS 13 -1.873 10.579 -9.793 109 HG3 LYS 13 3HG LYS 13 -1.311 12.120 -9.141 110 HD2 LYS 13 2HD LYS 13 0.428 10.266 -10.760 111 HD3 LYS 13 3HD LYS 13 -0.518 11.578 -11.468 112 HE2 LYS 13 2HE LYS 13 1.074 12.433 -9.185 113 HE3 LYS 13 3HE LYS 13 2.055 11.764 -10.488 114 HZ1 LYS 13 1HZ LYS 13 0.493 13.320 -11.908 115 HZ2 LYS 13 2HZ LYS 13 1.908 13.901 -11.186 116 HZ3 LYS 13 3HZ LYS 13 0.409 14.177 -10.452 117 H LYS 14 H LYS 14 -3.492 9.539 -8.301 118 HA LYS 14 HA LYS 14 -4.643 12.148 -8.640 119 HB2 LYS 14 2HB LYS 14 -5.723 9.382 -9.205 120 HB3 LYS 14 3HB LYS 14 -6.560 10.872 -9.622 121 HG2 LYS 14 2HG LYS 14 -3.908 9.931 -10.690 122 HG3 LYS 14 3HG LYS 14 -5.440 10.017 -11.563 123 HD2 LYS 14 2HD LYS 14 -5.443 12.471 -11.227 124 HD3 LYS 14 3HD LYS 14 -3.856 12.340 -10.466 125 HE2 LYS 14 2HE LYS 14 -2.944 12.524 -12.484 126 HE3 LYS 14 3HE LYS 14 -3.649 10.961 -12.893 127 HZ1 LYS 14 1HZ LYS 14 -4.450 12.352 -14.535 128 HZ2 LYS 14 2HZ LYS 14 -4.671 13.661 -13.487 129 HZ3 LYS 14 3HZ LYS 14 -5.730 12.344 -13.429 130 H LEU 15 H LEU 15 -5.507 9.251 -6.765 131 HA LEU 15 HA LEU 15 -7.811 10.237 -5.555 132 HB2 LEU 15 2HB LEU 15 -5.797 8.164 -4.822 133 HB3 LEU 15 3HB LEU 15 -7.020 8.627 -3.640 134 HG LEU 15 HG LEU 15 -7.466 6.569 -5.096 135 HD11 LEU 15 1HD1 LEU 15 -9.229 8.746 -4.281 136 HD12 LEU 15 2HD1 LEU 15 -9.386 7.006 -4.044 137 HD13 LEU 15 3HD1 LEU 15 -9.895 7.738 -5.565 138 HD21 LEU 15 1HD2 LEU 15 -8.449 7.002 -7.275 139 HD22 LEU 15 2HD2 LEU 15 -6.784 7.581 -7.224 140 HD23 LEU 15 3HD2 LEU 15 -8.121 8.726 -7.101 141 H THR 16 H THR 16 -4.441 10.763 -4.790 142 HA THR 16 HA THR 16 -4.902 11.933 -2.222 143 HB THR 16 HB THR 16 -2.490 12.121 -4.038 144 HG1 THR 16 HG1 THR 16 -1.738 10.598 -2.287 145 HG21 THR 16 1HG2 THR 16 -1.664 12.455 -1.418 146 HG22 THR 16 2HG2 THR 16 -3.137 13.419 -1.517 147 HG23 THR 16 3HG2 THR 16 -1.807 13.724 -2.634 148 H GLN 17 H GLN 17 -4.808 13.105 -5.501 149 HA GLN 17 HA GLN 17 -4.344 15.811 -5.106 150 HB2 GLN 17 2HB GLN 17 -4.943 14.251 -7.261 151 HB3 GLN 17 3HB GLN 17 -6.424 15.186 -7.095 152 HG2 GLN 17 2HG GLN 17 -5.412 17.154 -7.627 153 HG3 GLN 17 3HG GLN 17 -3.843 16.644 -7.004 154 HE21 GLN 17 1HE2 GLN 17 -2.465 15.466 -8.311 155 HE22 GLN 17 2HE2 GLN 17 -2.701 15.320 -10.016 156 H TYR 18 H TYR 18 -7.136 13.907 -4.358 157 HA TYR 18 HA TYR 18 -8.781 16.281 -3.912 158 HB2 TYR 18 2HB TYR 18 -9.463 13.341 -3.710 159 HB3 TYR 18 3HB TYR 18 -10.604 14.662 -3.483 160 HD1 TYR 18 HD1 TYR 18 -11.760 15.541 -5.312 161 HD2 TYR 18 HD2 TYR 18 -8.285 13.181 -5.991 162 HE1 TYR 18 HE1 TYR 18 -12.229 15.556 -7.726 163 HE2 TYR 18 HE2 TYR 18 -8.744 13.191 -8.407 164 HH TYR 18 HH TYR 18 -11.353 13.646 -9.781 165 H GLU 19 H GLU 19 -7.008 13.836 -2.192 166 HA GLU 19 HA GLU 19 -8.220 14.280 0.355 167 HB2 GLU 19 2HB GLU 19 -5.557 13.037 -0.355 168 HB3 GLU 19 3HB GLU 19 -6.306 12.984 1.235 169 HG2 GLU 19 2HG GLU 19 -7.633 11.879 -1.220 170 HG3 GLU 19 3HG GLU 19 -6.558 10.926 -0.199 171 H ILE 20 H ILE 20 -5.395 15.553 -1.316 172 HA ILE 20 HA ILE 20 -4.109 16.855 0.760 173 HB ILE 20 HB ILE 20 -4.405 17.834 -2.082 174 HG12 ILE 20 2HG1 ILE 20 -1.924 16.510 -1.168 175 HG13 ILE 20 3HG1 ILE 20 -3.333 15.465 -1.308 176 HG21 ILE 20 1HG2 ILE 20 -3.256 19.617 -1.432 177 HG22 ILE 20 2HG2 ILE 20 -3.124 18.983 0.207 178 HG23 ILE 20 3HG2 ILE 20 -1.915 18.555 -1.004 179 HD11 ILE 20 1HD1 ILE 20 -3.342 16.949 -3.647 180 HD12 ILE 20 2HD1 ILE 20 -1.643 16.566 -3.364 181 HD13 ILE 20 3HD1 ILE 20 -2.836 15.270 -3.454 182 H ALA 21 H ALA 21 -7.004 17.763 -0.984 183 HA ALA 21 HA ALA 21 -7.236 20.442 -0.377 184 HB1 ALA 21 1HB ALA 21 -9.807 19.283 -0.062 185 HB2 ALA 21 2HB ALA 21 -9.146 20.133 -1.459 186 HB3 ALA 21 3HB ALA 21 -8.951 18.386 -1.317 187 H TRP 22 H TRP 22 -8.170 17.662 1.623 188 HA TRP 22 HA TRP 22 -9.379 18.974 3.729 189 HB2 TRP 22 2HB TRP 22 -9.379 16.564 3.610 190 HB3 TRP 22 3HB TRP 22 -7.625 16.512 3.767 191 HD1 TRP 22 HD1 TRP 22 -6.605 17.095 6.221 192 HE1 TRP 22 HE1 TRP 22 -7.641 16.851 8.564 193 HE3 TRP 22 HE3 TRP 22 -11.526 16.697 4.894 194 HZ2 TRP 22 HZ2 TRP 22 -10.205 16.531 9.700 195 HZ3 TRP 22 HZ3 TRP 22 -13.208 16.424 6.670 196 HH2 TRP 22 HH2 TRP 22 -12.559 16.342 9.022 197 H PHE 23 H PHE 23 -5.925 18.364 3.212 198 HA PHE 23 HA PHE 23 -5.142 19.642 5.656 199 HB2 PHE 23 2HB PHE 23 -3.620 18.017 4.940 200 HB3 PHE 23 3HB PHE 23 -3.672 18.568 3.269 201 HD1 PHE 23 HD1 PHE 23 -2.151 20.170 2.469 202 HD2 PHE 23 HD2 PHE 23 -2.430 19.406 6.647 203 HE1 PHE 23 HE1 PHE 23 -0.117 21.502 2.845 204 HE2 PHE 23 HE2 PHE 23 -0.396 20.737 7.030 205 HZ PHE 23 HZ PHE 23 0.762 21.788 5.128 206 H LYS 24 H LYS 24 -5.619 20.624 2.351 207 HA LYS 24 HA LYS 24 -4.149 23.016 2.358 208 HB2 LYS 24 2HB LYS 24 -5.026 21.998 0.308 209 HB3 LYS 24 3HB LYS 24 -6.670 22.330 0.835 210 HG2 LYS 24 2HG LYS 24 -6.376 24.103 -0.541 211 HG3 LYS 24 3HG LYS 24 -5.733 24.808 0.943 212 HD2 LYS 24 2HD LYS 24 -3.460 23.955 0.171 213 HD3 LYS 24 3HD LYS 24 -4.221 23.675 -1.397 214 HE2 LYS 24 2HE LYS 24 -4.274 26.333 0.017 215 HE3 LYS 24 3HE LYS 24 -3.018 25.877 -1.132 216 HZ1 LYS 24 1HZ LYS 24 -4.602 25.720 -2.863 217 HZ2 LYS 24 2HZ LYS 24 -4.901 27.188 -2.079 218 HZ3 LYS 24 3HZ LYS 24 -5.907 25.858 -1.796 219 H ASN 25 H ASN 25 -7.281 22.207 3.653 220 HA ASN 25 HA ASN 25 -8.102 24.937 4.040 221 HB2 ASN 25 2HB ASN 25 -9.211 22.308 5.036 222 HB3 ASN 25 3HB ASN 25 -9.938 23.869 5.408 223 HD21 ASN 25 1HD2 ASN 25 -10.082 21.292 3.398 224 HD22 ASN 25 2HD2 ASN 25 -10.871 22.018 2.044 225 H LYS 26 H LYS 26 -5.978 22.864 5.612 226 HA LYS 26 HA LYS 26 -6.379 24.051 8.248 227 HB2 LYS 26 2HB LYS 26 -4.260 22.050 7.482 228 HB3 LYS 26 3HB LYS 26 -4.895 22.396 9.085 229 HG2 LYS 26 2HG LYS 26 -6.481 21.149 6.850 230 HG3 LYS 26 3HG LYS 26 -5.689 20.254 8.149 231 HD2 LYS 26 2HD LYS 26 -7.303 22.377 9.231 232 HD3 LYS 26 3HD LYS 26 -8.266 21.356 8.159 233 HE2 LYS 26 2HE LYS 26 -8.494 20.231 10.147 234 HE3 LYS 26 3HE LYS 26 -7.091 19.412 9.464 235 HZ1 LYS 26 1HZ LYS 26 -7.120 20.360 11.918 236 HZ2 LYS 26 2HZ LYS 26 -6.580 21.754 11.126 237 HZ3 LYS 26 3HZ LYS 26 -5.706 20.311 10.991 238 H HIS 27 H HIS 27 -4.176 24.136 5.541 239 HA HIS 27 HA HIS 27 -2.800 26.398 6.790 240 HB2 HIS 27 2HB HIS 27 -1.341 24.128 5.422 241 HB3 HIS 27 3HB HIS 27 -0.609 25.567 6.125 242 HD1 HIS 27 HD1 HIS 27 -2.379 22.392 7.132 243 HD2 HIS 27 HD2 HIS 27 -0.108 25.430 8.827 244 HE1 HIS 27 HE1 HIS 27 -1.875 21.628 9.474 245 H GLY 28 H GLY 28 -3.210 24.462 3.836 246 HA2 GLY 28 2HA GLY 28 -3.989 25.404 1.792 247 HA3 GLY 28 3HA GLY 28 -3.393 26.970 2.321 248 H TYR 29 H TYR 29 -1.444 24.099 2.623 249 HA TYR 29 HA TYR 29 0.192 25.002 0.345 250 HB2 TYR 29 2HB TYR 29 1.053 24.205 3.115 251 HB3 TYR 29 3HB TYR 29 2.158 24.088 1.750 252 HD1 TYR 29 HD1 TYR 29 -0.127 26.542 3.397 253 HD2 TYR 29 HD2 TYR 29 3.481 25.914 1.232 254 HE1 TYR 29 HE1 TYR 29 0.437 28.922 3.659 255 HE2 TYR 29 HE2 TYR 29 4.056 28.292 1.488 256 HH TYR 29 HH TYR 29 2.784 30.461 1.871 257 H TYR 30 H TYR 30 2.035 23.068 0.182 258 HA TYR 30 HA TYR 30 0.713 20.474 0.260 259 HB2 TYR 30 2HB TYR 30 1.964 21.306 -2.335 260 HB3 TYR 30 3HB TYR 30 0.788 20.033 -2.026 261 HD1 TYR 30 HD1 TYR 30 -1.547 20.469 -2.117 262 HD2 TYR 30 HD2 TYR 30 1.226 23.688 -2.343 263 HE1 TYR 30 HE1 TYR 30 -3.366 21.982 -2.788 264 HE2 TYR 30 HE2 TYR 30 -0.586 25.210 -3.013 265 HH TYR 30 HH TYR 30 -3.760 24.047 -3.815 266 HA PRO 31 HA PRO 31 5.406 19.897 -0.743 267 HB2 PRO 31 2HB PRO 31 6.907 22.144 -1.003 268 HB3 PRO 31 3HB PRO 31 6.079 21.379 -2.365 269 HG2 PRO 31 2HG PRO 31 5.249 23.746 -0.731 270 HG3 PRO 31 3HG PRO 31 5.171 23.516 -2.488 271 HD2 PRO 31 2HD PRO 31 3.011 23.220 -0.883 272 HD3 PRO 31 3HD PRO 31 3.236 22.270 -2.365 273 H TRP 32 H TRP 32 7.632 20.900 0.364 274 HA TRP 32 HA TRP 32 7.031 20.789 3.186 275 HB2 TRP 32 2HB TRP 32 9.299 20.348 3.519 276 HB3 TRP 32 3HB TRP 32 8.995 19.645 1.933 277 HD1 TRP 32 HD1 TRP 32 11.015 22.321 3.670 278 HE1 TRP 32 HE1 TRP 32 12.599 23.431 1.971 279 HE3 TRP 32 HE3 TRP 32 9.140 20.294 -0.632 280 HZ2 TRP 32 HZ2 TRP 32 12.999 23.446 -0.823 281 HZ3 TRP 32 HZ3 TRP 32 10.179 20.908 -2.776 282 HH2 TRP 32 HH2 TRP 32 12.068 22.452 -2.867 283 H GLU 33 H GLU 33 6.879 23.236 1.095 284 HA GLU 33 HA GLU 33 8.304 25.239 2.636 285 HB2 GLU 33 2HB GLU 33 6.431 25.722 0.323 286 HB3 GLU 33 3HB GLU 33 7.699 26.781 0.922 287 HG2 GLU 33 2HG GLU 33 9.400 25.290 0.129 288 HG3 GLU 33 3HG GLU 33 8.193 24.089 -0.325 289 H ILE 34 H ILE 34 6.478 24.043 4.252 290 HA ILE 34 HA ILE 34 4.116 25.764 4.330 291 HB ILE 34 HB ILE 34 4.822 23.385 6.054 292 HG12 ILE 34 2HG1 ILE 34 2.596 23.369 4.070 293 HG13 ILE 34 3HG1 ILE 34 4.240 23.208 3.462 294 HG21 ILE 34 1HG2 ILE 34 3.335 25.032 7.140 295 HG22 ILE 34 2HG2 ILE 34 2.206 24.861 5.796 296 HG23 ILE 34 3HG2 ILE 34 2.543 23.484 6.845 297 HD11 ILE 34 1HD1 ILE 34 2.783 21.114 4.104 298 HD12 ILE 34 2HD1 ILE 34 4.524 21.151 4.389 299 HD13 ILE 34 3HD1 ILE 34 3.407 21.469 5.715 300 HA PRO 35 HA PRO 35 5.963 28.405 7.360 301 HB2 PRO 35 2HB PRO 35 3.693 29.669 8.148 302 HB3 PRO 35 3HB PRO 35 4.499 30.011 6.613 303 HG2 PRO 35 2HG PRO 35 2.118 28.281 7.158 304 HG3 PRO 35 3HG PRO 35 2.382 29.438 5.841 305 HD2 PRO 35 2HD PRO 35 2.688 26.768 5.517 306 HD3 PRO 35 3HD PRO 35 3.661 27.955 4.626 307 H ARG 36 H ARG 36 5.023 29.226 9.682 308 HA ARG 36 HA ARG 36 4.481 26.751 11.183 309 HB2 ARG 36 2HB ARG 36 5.777 29.235 12.296 310 HB3 ARG 36 3HB ARG 36 5.740 27.625 13.001 311 HG2 ARG 36 2HG ARG 36 7.231 28.445 10.517 312 HG3 ARG 36 3HG ARG 36 7.932 28.119 12.104 313 HD2 ARG 36 2HD ARG 36 6.494 26.149 10.330 314 HD3 ARG 36 3HD ARG 36 8.226 26.202 10.652 315 HE ARG 36 HE ARG 36 6.758 25.951 13.064 316 HH11 ARG 36 1HH1 ARG 36 7.815 24.150 10.278 317 HH12 ARG 36 2HH1 ARG 36 7.822 22.626 11.103 318 HH21 ARG 36 1HH2 ARG 36 6.763 23.951 14.161 319 HH22 ARG 36 2HH2 ARG 36 7.223 22.514 13.312 320 H CYS 37 H CYS 37 3.293 27.046 13.238 321 HA CYS 37 HA CYS 37 0.864 28.435 12.793 322 HB2 CYS 37 2HB CYS 37 1.959 26.616 14.795 323 HB3 CYS 37 3HB CYS 37 0.911 27.841 15.501 324 HG CYS 37 HG CYS 37 -0.847 25.858 15.187 Start of MODEL 18 1 H MET 1 H MET 1 6.957 -2.677 -0.045 2 HA MET 1 HA MET 1 5.030 -1.677 -1.300 3 HB2 MET 1 2HB MET 1 5.852 -0.872 1.433 4 HB3 MET 1 3HB MET 1 4.557 0.062 0.696 5 HG2 MET 1 2HG MET 1 3.815 -2.532 0.183 6 HG3 MET 1 3HG MET 1 4.534 -2.629 1.789 7 HE1 MET 1 1HE MET 1 2.276 -0.897 -0.544 8 HE2 MET 1 2HE MET 1 0.771 -0.671 0.347 9 HE3 MET 1 3HE MET 1 2.026 0.567 0.407 10 H LYS 2 H LYS 2 3.975 0.560 -1.513 11 HA LYS 2 HA LYS 2 3.956 2.539 -2.639 12 HB2 LYS 2 2HB LYS 2 6.298 2.813 -0.789 13 HB3 LYS 2 3HB LYS 2 5.951 4.089 -1.949 14 HG2 LYS 2 2HG LYS 2 4.002 4.696 -0.911 15 HG3 LYS 2 3HG LYS 2 3.751 3.096 -0.207 16 HD2 LYS 2 2HD LYS 2 5.901 3.643 1.146 17 HD3 LYS 2 3HD LYS 2 5.539 5.315 0.712 18 HE2 LYS 2 2HE LYS 2 3.147 4.702 1.580 19 HE3 LYS 2 3HE LYS 2 4.003 3.419 2.434 20 HZ1 LYS 2 1HZ LYS 2 5.296 5.951 2.713 21 HZ2 LYS 2 2HZ LYS 2 4.791 4.864 3.906 22 HZ3 LYS 2 3HZ LYS 2 3.702 5.996 3.279 23 H PHE 3 H PHE 3 4.532 0.910 -4.464 24 HA PHE 3 HA PHE 3 7.161 1.105 -5.580 25 HB2 PHE 3 2HB PHE 3 4.565 -0.104 -6.447 26 HB3 PHE 3 3HB PHE 3 5.846 0.117 -7.635 27 HD1 PHE 3 HD1 PHE 3 5.811 -0.966 -4.063 28 HD2 PHE 3 HD2 PHE 3 6.882 -1.877 -8.081 29 HE1 PHE 3 HE1 PHE 3 6.866 -3.056 -3.305 30 HE2 PHE 3 HE2 PHE 3 7.937 -3.968 -7.329 31 HZ PHE 3 HZ PHE 3 7.930 -4.560 -4.938 32 H LYS 4 H LYS 4 7.509 1.884 -7.841 33 HA LYS 4 HA LYS 4 6.027 4.392 -8.292 34 HB2 LYS 4 2HB LYS 4 8.886 3.829 -9.088 35 HB3 LYS 4 3HB LYS 4 8.044 5.371 -9.171 36 HG2 LYS 4 2HG LYS 4 9.007 5.806 -7.213 37 HG3 LYS 4 3HG LYS 4 7.807 4.711 -6.523 38 HD2 LYS 4 2HD LYS 4 9.520 2.858 -7.108 39 HD3 LYS 4 3HD LYS 4 10.677 4.188 -7.207 40 HE2 LYS 4 2HE LYS 4 8.910 3.718 -4.816 41 HE3 LYS 4 3HE LYS 4 10.517 3.012 -4.974 42 HZ1 LYS 4 1HZ LYS 4 11.073 4.906 -3.904 43 HZ2 LYS 4 2HZ LYS 4 9.743 5.777 -4.480 44 HZ3 LYS 4 3HZ LYS 4 11.091 5.537 -5.473 45 H PHE 5 H PHE 5 7.208 1.442 -9.663 46 HA PHE 5 HA PHE 5 6.625 2.247 -12.389 47 HB2 PHE 5 2HB PHE 5 7.414 -0.469 -11.314 48 HB3 PHE 5 3HB PHE 5 7.391 0.016 -13.007 49 HD1 PHE 5 HD1 PHE 5 9.231 0.074 -9.897 50 HD2 PHE 5 HD2 PHE 5 9.036 1.662 -13.841 51 HE1 PHE 5 HE1 PHE 5 11.566 0.826 -9.706 52 HE2 PHE 5 HE2 PHE 5 11.370 2.416 -13.657 53 HZ PHE 5 HZ PHE 5 12.639 1.997 -11.588 54 H ASN 6 H ASN 6 5.186 0.353 -9.823 55 HA ASN 6 HA ASN 6 3.291 -1.114 -11.187 56 HB2 ASN 6 2HB ASN 6 3.411 0.086 -8.458 57 HB3 ASN 6 3HB ASN 6 1.871 -0.566 -9.009 58 HD21 ASN 6 1HD2 ASN 6 2.533 -2.742 -10.411 59 HD22 ASN 6 2HD2 ASN 6 3.352 -3.893 -9.416 60 HA PRO 7 HA PRO 7 0.312 1.628 -12.874 61 HB2 PRO 7 2HB PRO 7 -2.024 0.339 -12.373 62 HB3 PRO 7 3HB PRO 7 -0.857 -0.221 -13.576 63 HG2 PRO 7 2HG PRO 7 -1.291 -1.173 -10.771 64 HG3 PRO 7 3HG PRO 7 -1.008 -2.121 -12.243 65 HD2 PRO 7 2HD PRO 7 0.948 -1.609 -10.443 66 HD3 PRO 7 3HD PRO 7 1.269 -1.773 -12.181 67 H THR 8 H THR 8 -0.296 0.556 -9.567 68 HA THR 8 HA THR 8 -2.300 2.371 -8.870 69 HB THR 8 HB THR 8 -1.460 0.395 -7.502 70 HG1 THR 8 HG1 THR 8 -2.067 1.452 -5.560 71 HG21 THR 8 1HG2 THR 8 0.927 1.068 -7.522 72 HG22 THR 8 2HG2 THR 8 0.301 0.808 -5.894 73 HG23 THR 8 3HG2 THR 8 0.517 2.448 -6.504 74 H GLY 9 H GLY 9 1.031 2.888 -9.495 75 HA2 GLY 9 2HA GLY 9 1.698 5.034 -7.891 76 HA3 GLY 9 3HA GLY 9 2.281 4.815 -9.534 77 H THR 10 H THR 10 -0.156 5.068 -10.907 78 HA THR 10 HA THR 10 -0.380 7.923 -10.967 79 HB THR 10 HB THR 10 -2.011 5.861 -12.461 80 HG1 THR 10 HG1 THR 10 -0.426 5.850 -13.913 81 HG21 THR 10 1HG2 THR 10 -1.604 8.406 -13.772 82 HG22 THR 10 2HG2 THR 10 -2.408 8.611 -12.215 83 HG23 THR 10 3HG2 THR 10 -3.106 7.545 -13.434 84 H ILE 11 H ILE 11 -2.664 5.284 -10.252 85 HA ILE 11 HA ILE 11 -4.889 6.818 -9.635 86 HB ILE 11 HB ILE 11 -4.045 4.206 -8.376 87 HG12 ILE 11 2HG1 ILE 11 -6.105 3.711 -10.142 88 HG13 ILE 11 3HG1 ILE 11 -5.169 4.945 -10.978 89 HG21 ILE 11 1HG2 ILE 11 -5.726 5.313 -7.023 90 HG22 ILE 11 2HG2 ILE 11 -6.740 5.556 -8.444 91 HG23 ILE 11 3HG2 ILE 11 -6.430 3.924 -7.850 92 HD11 ILE 11 1HD1 ILE 11 -4.171 3.040 -11.742 93 HD12 ILE 11 2HD1 ILE 11 -3.155 3.400 -10.346 94 HD13 ILE 11 3HD1 ILE 11 -4.414 2.171 -10.228 95 H VAL 12 H VAL 12 -2.463 5.533 -7.356 96 HA VAL 12 HA VAL 12 -3.438 6.688 -5.035 97 HB VAL 12 HB VAL 12 -0.562 6.162 -5.792 98 HG11 VAL 12 1HG1 VAL 12 -1.790 6.725 -3.096 99 HG12 VAL 12 2HG1 VAL 12 -0.139 6.159 -3.358 100 HG13 VAL 12 3HG1 VAL 12 -0.638 7.740 -3.963 101 HG21 VAL 12 1HG2 VAL 12 -2.485 4.323 -5.597 102 HG22 VAL 12 2HG2 VAL 12 -0.826 4.021 -5.080 103 HG23 VAL 12 3HG2 VAL 12 -2.056 4.451 -3.892 104 H LYS 13 H LYS 13 -1.583 8.116 -7.626 105 HA LYS 13 HA LYS 13 -0.919 10.511 -6.192 106 HB2 LYS 13 2HB LYS 13 0.466 10.835 -7.914 107 HB3 LYS 13 3HB LYS 13 -0.105 9.312 -8.583 108 HG2 LYS 13 2HG LYS 13 -1.846 10.504 -9.815 109 HG3 LYS 13 3HG LYS 13 -1.268 12.032 -9.147 110 HD2 LYS 13 2HD LYS 13 0.621 10.239 -10.617 111 HD3 LYS 13 3HD LYS 13 -0.492 11.271 -11.518 112 HE2 LYS 13 2HE LYS 13 0.529 13.000 -9.661 113 HE3 LYS 13 3HE LYS 13 1.913 11.962 -9.999 114 HZ1 LYS 13 1HZ LYS 13 1.070 14.085 -11.503 115 HZ2 LYS 13 2HZ LYS 13 0.558 12.737 -12.386 116 HZ3 LYS 13 3HZ LYS 13 2.190 12.907 -11.974 117 H LYS 14 H LYS 14 -3.488 9.475 -8.341 118 HA LYS 14 HA LYS 14 -4.602 12.101 -8.668 119 HB2 LYS 14 2HB LYS 14 -5.715 9.355 -9.261 120 HB3 LYS 14 3HB LYS 14 -6.529 10.859 -9.672 121 HG2 LYS 14 2HG LYS 14 -3.883 9.891 -10.730 122 HG3 LYS 14 3HG LYS 14 -5.408 10.003 -11.613 123 HD2 LYS 14 2HD LYS 14 -5.381 12.455 -11.259 124 HD3 LYS 14 3HD LYS 14 -3.801 12.297 -10.487 125 HE2 LYS 14 2HE LYS 14 -2.746 11.737 -12.469 126 HE3 LYS 14 3HE LYS 14 -4.239 11.188 -13.228 127 HZ1 LYS 14 1HZ LYS 14 -3.060 13.787 -13.226 128 HZ2 LYS 14 2HZ LYS 14 -4.669 13.835 -12.708 129 HZ3 LYS 14 3HZ LYS 14 -4.285 13.164 -14.212 130 H LEU 15 H LEU 15 -5.517 9.202 -6.821 131 HA LEU 15 HA LEU 15 -7.816 10.207 -5.619 132 HB2 LEU 15 2HB LEU 15 -5.832 8.106 -4.886 133 HB3 LEU 15 3HB LEU 15 -7.056 8.575 -3.709 134 HG LEU 15 HG LEU 15 -7.518 6.533 -5.181 135 HD11 LEU 15 1HD1 LEU 15 -9.184 8.539 -4.100 136 HD12 LEU 15 2HD1 LEU 15 -9.570 6.846 -4.410 137 HD13 LEU 15 3HD1 LEU 15 -9.876 8.061 -5.651 138 HD21 LEU 15 1HD2 LEU 15 -8.133 8.711 -7.176 139 HD22 LEU 15 2HD2 LEU 15 -8.483 6.992 -7.364 140 HD23 LEU 15 3HD2 LEU 15 -6.811 7.550 -7.299 141 H THR 16 H THR 16 -4.445 10.688 -4.828 142 HA THR 16 HA THR 16 -4.908 11.845 -2.255 143 HB THR 16 HB THR 16 -2.485 12.023 -4.056 144 HG1 THR 16 HG1 THR 16 -3.047 10.364 -1.803 145 HG21 THR 16 1HG2 THR 16 -1.638 12.333 -1.456 146 HG22 THR 16 2HG2 THR 16 -3.129 13.274 -1.498 147 HG23 THR 16 3HG2 THR 16 -1.829 13.630 -2.635 148 H GLN 17 H GLN 17 -4.785 13.040 -5.525 149 HA GLN 17 HA GLN 17 -4.295 15.739 -5.107 150 HB2 GLN 17 2HB GLN 17 -4.762 14.285 -7.292 151 HB3 GLN 17 3HB GLN 17 -6.363 14.988 -7.111 152 HG2 GLN 17 2HG GLN 17 -5.510 17.193 -7.302 153 HG3 GLN 17 3HG GLN 17 -3.846 16.625 -7.182 154 HE21 GLN 17 1HE2 GLN 17 -2.848 16.786 -9.046 155 HE22 GLN 17 2HE2 GLN 17 -3.525 16.458 -10.602 156 H TYR 18 H TYR 18 -7.110 13.858 -4.387 157 HA TYR 18 HA TYR 18 -8.732 16.246 -3.932 158 HB2 TYR 18 2HB TYR 18 -9.446 13.312 -3.757 159 HB3 TYR 18 3HB TYR 18 -10.574 14.643 -3.524 160 HD1 TYR 18 HD1 TYR 18 -11.713 15.550 -5.350 161 HD2 TYR 18 HD2 TYR 18 -8.261 13.158 -6.034 162 HE1 TYR 18 HE1 TYR 18 -12.171 15.591 -7.766 163 HE2 TYR 18 HE2 TYR 18 -8.708 13.194 -8.452 164 HH TYR 18 HH TYR 18 -10.476 15.272 -9.966 165 H GLU 19 H GLU 19 -6.994 13.771 -2.221 166 HA GLU 19 HA GLU 19 -8.215 14.207 0.323 167 HB2 GLU 19 2HB GLU 19 -5.561 12.942 -0.384 168 HB3 GLU 19 3HB GLU 19 -6.318 12.885 1.202 169 HG2 GLU 19 2HG GLU 19 -7.643 11.811 -1.268 170 HG3 GLU 19 3HG GLU 19 -6.584 10.840 -0.247 171 H ILE 20 H ILE 20 -5.370 15.466 -1.325 172 HA ILE 20 HA ILE 20 -4.081 16.737 0.767 173 HB ILE 20 HB ILE 20 -4.355 17.743 -2.068 174 HG12 ILE 20 2HG1 ILE 20 -1.890 16.389 -1.156 175 HG13 ILE 20 3HG1 ILE 20 -3.308 15.358 -1.308 176 HG21 ILE 20 1HG2 ILE 20 -3.193 19.510 -1.398 177 HG22 ILE 20 2HG2 ILE 20 -3.072 18.860 0.236 178 HG23 ILE 20 3HG2 ILE 20 -1.863 18.432 -0.974 179 HD11 ILE 20 1HD1 ILE 20 -1.604 16.469 -3.352 180 HD12 ILE 20 2HD1 ILE 20 -2.798 15.175 -3.455 181 HD13 ILE 20 3HD1 ILE 20 -3.301 16.856 -3.636 182 H ALA 21 H ALA 21 -6.960 17.688 -0.980 183 HA ALA 21 HA ALA 21 -7.168 20.364 -0.352 184 HB1 ALA 21 1HB ALA 21 -9.706 19.849 -0.291 185 HB2 ALA 21 2HB ALA 21 -8.809 19.577 -1.785 186 HB3 ALA 21 3HB ALA 21 -9.214 18.216 -0.740 187 H TRP 22 H TRP 22 -8.135 17.577 1.622 188 HA TRP 22 HA TRP 22 -9.340 18.883 3.734 189 HB2 TRP 22 2HB TRP 22 -9.339 16.462 3.566 190 HB3 TRP 22 3HB TRP 22 -7.592 16.415 3.792 191 HD1 TRP 22 HD1 TRP 22 -6.690 17.112 6.296 192 HE1 TRP 22 HE1 TRP 22 -7.812 16.803 8.591 193 HE3 TRP 22 HE3 TRP 22 -11.513 16.409 4.753 194 HZ2 TRP 22 HZ2 TRP 22 -10.400 16.323 9.613 195 HZ3 TRP 22 HZ3 TRP 22 -13.252 16.030 6.453 196 HH2 TRP 22 HH2 TRP 22 -12.704 15.988 8.832 197 H PHE 23 H PHE 23 -5.890 18.244 3.224 198 HA PHE 23 HA PHE 23 -5.104 19.495 5.681 199 HB2 PHE 23 2HB PHE 23 -3.594 17.861 4.957 200 HB3 PHE 23 3HB PHE 23 -3.634 18.426 3.290 201 HD1 PHE 23 HD1 PHE 23 -2.096 20.021 2.509 202 HD2 PHE 23 HD2 PHE 23 -2.397 19.224 6.680 203 HE1 PHE 23 HE1 PHE 23 -0.050 21.330 2.903 204 HE2 PHE 23 HE2 PHE 23 -0.352 20.533 7.081 205 HZ PHE 23 HZ PHE 23 0.823 21.589 5.192 206 H LYS 24 H LYS 24 -5.560 20.509 2.382 207 HA LYS 24 HA LYS 24 -4.066 22.885 2.414 208 HB2 LYS 24 2HB LYS 24 -4.946 21.893 0.353 209 HB3 LYS 24 3HB LYS 24 -6.589 22.236 0.878 210 HG2 LYS 24 2HG LYS 24 -6.274 24.017 -0.484 211 HG3 LYS 24 3HG LYS 24 -5.630 24.704 1.009 212 HD2 LYS 24 2HD LYS 24 -3.362 23.836 0.238 213 HD3 LYS 24 3HD LYS 24 -4.119 23.577 -1.335 214 HE2 LYS 24 2HE LYS 24 -4.152 26.223 0.102 215 HE3 LYS 24 3HE LYS 24 -2.897 25.765 -1.047 216 HZ1 LYS 24 1HZ LYS 24 -4.878 27.104 -1.899 217 HZ2 LYS 24 2HZ LYS 24 -5.751 25.660 -1.792 218 HZ3 LYS 24 3HZ LYS 24 -4.397 25.756 -2.801 219 H ASN 25 H ASN 25 -7.210 22.096 3.692 220 HA ASN 25 HA ASN 25 -8.005 24.832 4.099 221 HB2 ASN 25 2HB ASN 25 -9.143 22.199 5.049 222 HB3 ASN 25 3HB ASN 25 -9.849 23.757 5.468 223 HD21 ASN 25 1HD2 ASN 25 -9.989 21.239 3.362 224 HD22 ASN 25 2HD2 ASN 25 -10.795 22.012 2.043 225 H LYS 26 H LYS 26 -5.908 22.724 5.661 226 HA LYS 26 HA LYS 26 -6.306 23.893 8.306 227 HB2 LYS 26 2HB LYS 26 -4.203 21.879 7.530 228 HB3 LYS 26 3HB LYS 26 -4.841 22.217 9.133 229 HG2 LYS 26 2HG LYS 26 -6.431 21.005 6.882 230 HG3 LYS 26 3HG LYS 26 -5.651 20.090 8.175 231 HD2 LYS 26 2HD LYS 26 -7.450 22.309 8.972 232 HD3 LYS 26 3HD LYS 26 -8.201 20.862 8.296 233 HE2 LYS 26 2HE LYS 26 -8.123 20.114 10.414 234 HE3 LYS 26 3HE LYS 26 -6.436 19.766 10.038 235 HZ1 LYS 26 1HZ LYS 26 -7.486 22.190 11.391 236 HZ2 LYS 26 2HZ LYS 26 -5.874 21.984 10.923 237 HZ3 LYS 26 3HZ LYS 26 -6.553 20.964 12.090 238 H HIS 27 H HIS 27 -4.094 23.980 5.607 239 HA HIS 27 HA HIS 27 -2.701 26.219 6.879 240 HB2 HIS 27 2HB HIS 27 -1.258 23.947 5.498 241 HB3 HIS 27 3HB HIS 27 -0.516 25.374 6.215 242 HD1 HIS 27 HD1 HIS 27 -2.318 22.207 7.189 243 HD2 HIS 27 HD2 HIS 27 -0.026 25.210 8.918 244 HE1 HIS 27 HE1 HIS 27 -1.829 21.418 9.526 245 H GLY 28 H GLY 28 -3.118 24.312 3.908 246 HA2 GLY 28 2HA GLY 28 -3.882 25.277 1.869 247 HA3 GLY 28 3HA GLY 28 -3.273 26.834 2.413 248 H TYR 29 H TYR 29 -1.352 23.942 2.697 249 HA TYR 29 HA TYR 29 0.300 24.848 0.433 250 HB2 TYR 29 2HB TYR 29 1.144 24.021 3.199 251 HB3 TYR 29 3HB TYR 29 2.252 23.904 1.837 252 HD1 TYR 29 HD1 TYR 29 -0.014 26.366 3.497 253 HD2 TYR 29 HD2 TYR 29 3.594 25.722 1.336 254 HE1 TYR 29 HE1 TYR 29 0.572 28.738 3.780 255 HE2 TYR 29 HE2 TYR 29 4.190 28.092 1.614 256 HH TYR 29 HH TYR 29 1.964 30.383 3.117 257 H TYR 30 H TYR 30 2.125 22.898 0.261 258 HA TYR 30 HA TYR 30 0.779 20.315 0.313 259 HB2 TYR 30 2HB TYR 30 2.047 21.156 -2.271 260 HB3 TYR 30 3HB TYR 30 0.858 19.892 -1.976 261 HD1 TYR 30 HD1 TYR 30 1.333 23.546 -2.263 262 HD2 TYR 30 HD2 TYR 30 -1.473 20.353 -2.068 263 HE1 TYR 30 HE1 TYR 30 -0.462 25.091 -2.928 264 HE2 TYR 30 HE2 TYR 30 -3.275 21.889 -2.734 265 HH TYR 30 HH TYR 30 -3.535 24.025 -3.907 266 HA PRO 31 HA PRO 31 5.470 19.703 -0.679 267 HB2 PRO 31 2HB PRO 31 6.993 21.937 -0.916 268 HB3 PRO 31 3HB PRO 31 6.162 21.191 -2.286 269 HG2 PRO 31 2HG PRO 31 5.349 23.553 -0.637 270 HG3 PRO 31 3HG PRO 31 5.275 23.338 -2.395 271 HD2 PRO 31 2HD PRO 31 3.106 23.049 -0.800 272 HD3 PRO 31 3HD PRO 31 3.328 22.109 -2.290 273 H TRP 32 H TRP 32 7.701 20.676 0.443 274 HA TRP 32 HA TRP 32 7.090 20.548 3.263 275 HB2 TRP 32 2HB TRP 32 9.352 20.083 3.600 276 HB3 TRP 32 3HB TRP 32 9.047 19.395 2.007 277 HD1 TRP 32 HD1 TRP 32 11.086 22.039 3.772 278 HE1 TRP 32 HE1 TRP 32 12.686 23.148 2.087 279 HE3 TRP 32 HE3 TRP 32 9.206 20.064 -0.553 280 HZ2 TRP 32 HZ2 TRP 32 13.096 23.181 -0.706 281 HZ3 TRP 32 HZ3 TRP 32 10.259 20.685 -2.688 282 HH2 TRP 32 HH2 TRP 32 12.163 22.212 -2.761 283 H GLU 33 H GLU 33 6.968 23.013 1.190 284 HA GLU 33 HA GLU 33 8.406 24.990 2.753 285 HB2 GLU 33 2HB GLU 33 6.545 25.509 0.437 286 HB3 GLU 33 3HB GLU 33 7.822 26.551 1.049 287 HG2 GLU 33 2HG GLU 33 9.511 25.051 0.249 288 HG3 GLU 33 3HG GLU 33 8.294 23.865 -0.218 289 H ILE 34 H ILE 34 6.564 23.799 4.353 290 HA ILE 34 HA ILE 34 4.218 25.541 4.437 291 HB ILE 34 HB ILE 34 4.895 23.142 6.143 292 HG12 ILE 34 2HG1 ILE 34 2.676 23.164 4.152 293 HG13 ILE 34 3HG1 ILE 34 4.320 22.991 3.548 294 HG21 ILE 34 1HG2 ILE 34 2.615 23.255 6.928 295 HG22 ILE 34 2HG2 ILE 34 3.421 24.791 7.240 296 HG23 ILE 34 3HG2 ILE 34 2.295 24.645 5.891 297 HD11 ILE 34 1HD1 ILE 34 4.616 20.946 4.568 298 HD12 ILE 34 2HD1 ILE 34 3.347 21.239 5.757 299 HD13 ILE 34 3HD1 ILE 34 2.922 20.887 4.083 300 HA PRO 35 HA PRO 35 6.079 28.140 7.494 301 HB2 PRO 35 2HB PRO 35 3.819 29.419 8.285 302 HB3 PRO 35 3HB PRO 35 4.633 29.766 6.755 303 HG2 PRO 35 2HG PRO 35 2.234 28.054 7.279 304 HG3 PRO 35 3HG PRO 35 2.513 29.219 5.972 305 HD2 PRO 35 2HD PRO 35 2.795 26.548 5.628 306 HD3 PRO 35 3HD PRO 35 3.783 27.734 4.749 307 H ARG 36 H ARG 36 5.149 28.949 9.820 308 HA ARG 36 HA ARG 36 4.780 26.463 11.330 309 HB2 ARG 36 2HB ARG 36 5.587 27.746 13.268 310 HB3 ARG 36 3HB ARG 36 6.734 27.785 11.936 311 HG2 ARG 36 2HG ARG 36 4.787 30.000 12.057 312 HG3 ARG 36 3HG ARG 36 6.017 29.952 13.322 313 HD2 ARG 36 2HD ARG 36 7.452 29.435 11.031 314 HD3 ARG 36 3HD ARG 36 6.259 30.616 10.494 315 HE ARG 36 HE ARG 36 7.356 32.212 11.707 316 HH11 ARG 36 1HH1 ARG 36 8.361 29.066 12.809 317 HH12 ARG 36 2HH1 ARG 36 9.601 29.683 13.849 318 HH21 ARG 36 1HH2 ARG 36 8.986 33.037 13.073 319 HH22 ARG 36 2HH2 ARG 36 9.956 31.942 13.999 320 H CYS 37 H CYS 37 3.661 27.056 13.593 321 HA CYS 37 HA CYS 37 0.991 27.969 12.853 322 HB2 CYS 37 2HB CYS 37 2.086 26.050 14.739 323 HB3 CYS 37 3HB CYS 37 0.923 27.122 15.510 324 HG CYS 37 HG CYS 37 0.001 24.498 14.380 Start of MODEL 19 1 H MET 1 H MET 1 7.584 -0.377 -0.892 2 HA MET 1 HA MET 1 4.757 -0.548 -0.359 3 HB2 MET 1 2HB MET 1 6.444 0.027 1.795 4 HB3 MET 1 3HB MET 1 5.803 1.587 1.296 5 HG2 MET 1 2HG MET 1 3.586 -0.046 1.284 6 HG3 MET 1 3HG MET 1 4.507 -0.607 2.678 7 HE1 MET 1 1HE MET 1 5.323 0.957 4.617 8 HE2 MET 1 2HE MET 1 4.048 1.965 5.302 9 HE3 MET 1 3HE MET 1 3.725 0.273 4.919 10 H LYS 2 H LYS 2 3.656 0.967 -1.472 11 HA LYS 2 HA LYS 2 3.248 2.640 -2.959 12 HB2 LYS 2 2HB LYS 2 5.225 3.821 -1.071 13 HB3 LYS 2 3HB LYS 2 4.873 4.711 -2.546 14 HG2 LYS 2 2HG LYS 2 3.342 5.617 -1.108 15 HG3 LYS 2 3HG LYS 2 2.388 4.325 -1.840 16 HD2 LYS 2 2HD LYS 2 2.032 3.454 0.173 17 HD3 LYS 2 3HD LYS 2 3.770 3.228 0.381 18 HE2 LYS 2 2HE LYS 2 2.809 5.976 0.793 19 HE3 LYS 2 3HE LYS 2 2.217 4.796 1.962 20 HZ1 LYS 2 1HZ LYS 2 4.302 4.405 2.765 21 HZ2 LYS 2 2HZ LYS 2 4.470 6.032 2.333 22 HZ3 LYS 2 3HZ LYS 2 5.078 4.822 1.320 23 H PHE 3 H PHE 3 4.238 0.958 -4.462 24 HA PHE 3 HA PHE 3 6.847 1.192 -5.447 25 HB2 PHE 3 2HB PHE 3 4.295 0.068 -6.539 26 HB3 PHE 3 3HB PHE 3 5.699 0.202 -7.593 27 HD1 PHE 3 HD1 PHE 3 5.205 -0.808 -4.032 28 HD2 PHE 3 HD2 PHE 3 6.730 -1.821 -7.875 29 HE1 PHE 3 HE1 PHE 3 6.081 -2.921 -3.124 30 HE2 PHE 3 HE2 PHE 3 7.608 -3.935 -6.973 31 HZ PHE 3 HZ PHE 3 7.283 -4.488 -4.595 32 H LYS 4 H LYS 4 7.390 1.876 -7.722 33 HA LYS 4 HA LYS 4 6.109 4.466 -8.301 34 HB2 LYS 4 2HB LYS 4 8.935 3.699 -9.024 35 HB3 LYS 4 3HB LYS 4 8.211 5.302 -9.055 36 HG2 LYS 4 2HG LYS 4 9.119 5.613 -7.055 37 HG3 LYS 4 3HG LYS 4 7.902 4.497 -6.431 38 HD2 LYS 4 2HD LYS 4 9.869 3.559 -5.652 39 HD3 LYS 4 3HD LYS 4 9.598 2.661 -7.148 40 HE2 LYS 4 2HE LYS 4 11.867 3.249 -7.205 41 HE3 LYS 4 3HE LYS 4 11.075 4.414 -8.267 42 HZ1 LYS 4 1HZ LYS 4 12.779 5.147 -6.412 43 HZ2 LYS 4 2HZ LYS 4 11.383 5.147 -5.456 44 HZ3 LYS 4 3HZ LYS 4 11.460 6.116 -6.841 45 H PHE 5 H PHE 5 7.203 1.428 -9.589 46 HA PHE 5 HA PHE 5 6.692 2.226 -12.336 47 HB2 PHE 5 2HB PHE 5 7.534 -0.429 -11.156 48 HB3 PHE 5 3HB PHE 5 7.377 -0.100 -12.878 49 HD1 PHE 5 HD1 PHE 5 8.644 2.309 -13.440 50 HD2 PHE 5 HD2 PHE 5 9.708 -0.546 -10.468 51 HE1 PHE 5 HE1 PHE 5 10.967 3.119 -13.498 52 HE2 PHE 5 HE2 PHE 5 12.032 0.260 -10.521 53 HZ PHE 5 HZ PHE 5 12.664 2.095 -12.037 54 H ASN 6 H ASN 6 5.207 0.343 -9.785 55 HA ASN 6 HA ASN 6 3.323 -1.113 -11.180 56 HB2 ASN 6 2HB ASN 6 3.570 -0.061 -8.441 57 HB3 ASN 6 3HB ASN 6 1.915 -0.378 -8.954 58 HD21 ASN 6 1HD2 ASN 6 1.636 -2.100 -7.581 59 HD22 ASN 6 2HD2 ASN 6 2.432 -3.617 -7.805 60 HA PRO 7 HA PRO 7 0.375 1.650 -12.886 61 HB2 PRO 7 2HB PRO 7 -1.973 0.371 -12.414 62 HB3 PRO 7 3HB PRO 7 -0.796 -0.191 -13.607 63 HG2 PRO 7 2HG PRO 7 -1.264 -1.151 -10.811 64 HG3 PRO 7 3HG PRO 7 -0.971 -2.094 -12.283 65 HD2 PRO 7 2HD PRO 7 0.969 -1.599 -10.460 66 HD3 PRO 7 3HD PRO 7 1.308 -1.759 -12.196 67 H THR 8 H THR 8 -0.274 0.569 -9.590 68 HA THR 8 HA THR 8 -2.275 2.393 -8.908 69 HB THR 8 HB THR 8 -1.464 0.405 -7.539 70 HG1 THR 8 HG1 THR 8 -2.013 1.516 -5.565 71 HG21 THR 8 1HG2 THR 8 0.928 1.063 -7.530 72 HG22 THR 8 2HG2 THR 8 0.282 0.799 -5.910 73 HG23 THR 8 3HG2 THR 8 0.515 2.440 -6.510 74 H GLY 9 H GLY 9 1.065 2.891 -9.493 75 HA2 GLY 9 2HA GLY 9 1.729 5.025 -7.871 76 HA3 GLY 9 3HA GLY 9 2.329 4.810 -9.509 77 H THR 10 H THR 10 -0.089 5.086 -10.909 78 HA THR 10 HA THR 10 -0.295 7.943 -10.956 79 HB THR 10 HB THR 10 -1.920 5.898 -12.482 80 HG1 THR 10 HG1 THR 10 0.247 5.689 -13.026 81 HG21 THR 10 1HG2 THR 10 -2.995 7.595 -13.457 82 HG22 THR 10 2HG2 THR 10 -1.484 8.447 -13.774 83 HG23 THR 10 3HG2 THR 10 -2.302 8.650 -12.226 84 H ILE 11 H ILE 11 -2.605 5.315 -10.284 85 HA ILE 11 HA ILE 11 -4.827 6.859 -9.686 86 HB ILE 11 HB ILE 11 -4.013 4.234 -8.433 87 HG12 ILE 11 2HG1 ILE 11 -6.057 3.759 -10.220 88 HG13 ILE 11 3HG1 ILE 11 -5.112 4.997 -11.040 89 HG21 ILE 11 1HG2 ILE 11 -5.699 5.341 -7.088 90 HG22 ILE 11 2HG2 ILE 11 -6.697 5.604 -8.516 91 HG23 ILE 11 3HG2 ILE 11 -6.406 3.965 -7.934 92 HD11 ILE 11 1HD1 ILE 11 -4.379 2.213 -10.321 93 HD12 ILE 11 2HD1 ILE 11 -4.095 3.112 -11.812 94 HD13 ILE 11 3HD1 ILE 11 -3.108 3.434 -10.386 95 H VAL 12 H VAL 12 -2.438 5.546 -7.384 96 HA VAL 12 HA VAL 12 -3.434 6.695 -5.069 97 HB VAL 12 HB VAL 12 -0.552 6.155 -5.793 98 HG11 VAL 12 1HG1 VAL 12 -0.159 6.137 -3.355 99 HG12 VAL 12 2HG1 VAL 12 -0.640 7.725 -3.957 100 HG13 VAL 12 3HG1 VAL 12 -1.808 6.711 -3.108 101 HG21 VAL 12 1HG2 VAL 12 -2.442 4.312 -5.673 102 HG22 VAL 12 2HG2 VAL 12 -0.826 4.017 -5.032 103 HG23 VAL 12 3HG2 VAL 12 -2.140 4.456 -3.941 104 H LYS 13 H LYS 13 -1.538 8.125 -7.630 105 HA LYS 13 HA LYS 13 -0.877 10.508 -6.176 106 HB2 LYS 13 2HB LYS 13 0.532 10.831 -7.879 107 HB3 LYS 13 3HB LYS 13 -0.041 9.316 -8.563 108 HG2 LYS 13 2HG LYS 13 -1.759 10.527 -9.810 109 HG3 LYS 13 3HG LYS 13 -1.180 12.048 -9.126 110 HD2 LYS 13 2HD LYS 13 0.798 10.310 -10.501 111 HD3 LYS 13 3HD LYS 13 -0.377 11.165 -11.502 112 HE2 LYS 13 2HE LYS 13 0.309 13.283 -10.561 113 HE3 LYS 13 3HE LYS 13 1.397 12.468 -9.439 114 HZ1 LYS 13 1HZ LYS 13 1.682 12.207 -12.373 115 HZ2 LYS 13 2HZ LYS 13 2.819 11.845 -11.175 116 HZ3 LYS 13 3HZ LYS 13 2.426 13.456 -11.507 117 H LYS 14 H LYS 14 -3.426 9.500 -8.361 118 HA LYS 14 HA LYS 14 -4.519 12.135 -8.686 119 HB2 LYS 14 2HB LYS 14 -5.643 9.400 -9.309 120 HB3 LYS 14 3HB LYS 14 -6.441 10.912 -9.722 121 HG2 LYS 14 2HG LYS 14 -3.788 9.931 -10.752 122 HG3 LYS 14 3HG LYS 14 -5.301 10.059 -11.653 123 HD2 LYS 14 2HD LYS 14 -5.261 12.508 -11.286 124 HD3 LYS 14 3HD LYS 14 -3.693 12.335 -10.494 125 HE2 LYS 14 2HE LYS 14 -3.020 12.854 -12.618 126 HE3 LYS 14 3HE LYS 14 -3.074 11.096 -12.731 127 HZ1 LYS 14 1HZ LYS 14 -4.493 11.320 -14.395 128 HZ2 LYS 14 2HZ LYS 14 -4.533 13.000 -14.208 129 HZ3 LYS 14 3HZ LYS 14 -5.616 12.028 -13.346 130 H LEU 15 H LEU 15 -5.476 9.231 -6.869 131 HA LEU 15 HA LEU 15 -7.782 10.245 -5.688 132 HB2 LEU 15 2HB LEU 15 -5.822 8.125 -4.945 133 HB3 LEU 15 3HB LEU 15 -7.058 8.595 -3.780 134 HG LEU 15 HG LEU 15 -7.517 6.566 -5.269 135 HD11 LEU 15 1HD1 LEU 15 -9.256 8.775 -4.477 136 HD12 LEU 15 2HD1 LEU 15 -9.445 7.037 -4.243 137 HD13 LEU 15 3HD1 LEU 15 -9.913 7.776 -5.774 138 HD21 LEU 15 1HD2 LEU 15 -6.771 7.585 -7.371 139 HD22 LEU 15 2HD2 LEU 15 -8.083 8.759 -7.263 140 HD23 LEU 15 3HD2 LEU 15 -8.447 7.044 -7.463 141 H THR 16 H THR 16 -4.418 10.696 -4.853 142 HA THR 16 HA THR 16 -4.907 11.842 -2.278 143 HB THR 16 HB THR 16 -2.457 12.006 -4.045 144 HG1 THR 16 HG1 THR 16 -3.189 9.888 -3.179 145 HG21 THR 16 1HG2 THR 16 -3.124 13.243 -1.482 146 HG22 THR 16 2HG2 THR 16 -1.817 13.608 -2.609 147 HG23 THR 16 3HG2 THR 16 -1.635 12.300 -1.440 148 H GLN 17 H GLN 17 -4.727 13.053 -5.540 149 HA GLN 17 HA GLN 17 -4.218 15.745 -5.101 150 HB2 GLN 17 2HB GLN 17 -4.668 14.307 -7.300 151 HB3 GLN 17 3HB GLN 17 -6.265 15.024 -7.138 152 HG2 GLN 17 2HG GLN 17 -5.541 17.101 -7.657 153 HG3 GLN 17 3HG GLN 17 -3.960 16.856 -6.916 154 HE21 GLN 17 1HE2 GLN 17 -5.793 15.291 -9.525 155 HE22 GLN 17 2HE2 GLN 17 -4.526 15.374 -10.696 156 H TYR 18 H TYR 18 -7.060 13.886 -4.430 157 HA TYR 18 HA TYR 18 -8.667 16.287 -3.985 158 HB2 TYR 18 2HB TYR 18 -9.410 13.358 -3.835 159 HB3 TYR 18 3HB TYR 18 -10.529 14.698 -3.612 160 HD1 TYR 18 HD1 TYR 18 -8.194 13.202 -6.095 161 HD2 TYR 18 HD2 TYR 18 -11.630 15.627 -5.450 162 HE1 TYR 18 HE1 TYR 18 -8.607 13.251 -8.519 163 HE2 TYR 18 HE2 TYR 18 -12.053 15.682 -7.872 164 HH TYR 18 HH TYR 18 -11.441 14.097 -9.884 165 H GLU 19 H GLU 19 -6.975 13.787 -2.263 166 HA GLU 19 HA GLU 19 -8.227 14.223 0.266 167 HB2 GLU 19 2HB GLU 19 -5.576 12.936 -0.411 168 HB3 GLU 19 3HB GLU 19 -6.354 12.880 1.165 169 HG2 GLU 19 2HG GLU 19 -7.654 11.828 -1.329 170 HG3 GLU 19 3HG GLU 19 -6.621 10.843 -0.294 171 H ILE 20 H ILE 20 -5.349 15.463 -1.337 172 HA ILE 20 HA ILE 20 -4.076 16.713 0.779 173 HB ILE 20 HB ILE 20 -4.303 17.734 -2.055 174 HG12 ILE 20 2HG1 ILE 20 -1.863 16.354 -1.116 175 HG13 ILE 20 3HG1 ILE 20 -3.288 15.336 -1.292 176 HG21 ILE 20 1HG2 ILE 20 -3.041 18.829 0.272 177 HG22 ILE 20 2HG2 ILE 20 -1.820 18.394 -0.922 178 HG23 ILE 20 3HG2 ILE 20 -3.132 19.487 -1.361 179 HD11 ILE 20 1HD1 ILE 20 -2.766 15.162 -3.435 180 HD12 ILE 20 2HD1 ILE 20 -3.221 16.857 -3.612 181 HD13 ILE 20 3HD1 ILE 20 -1.540 16.422 -3.304 182 H ALA 21 H ALA 21 -6.922 17.698 -1.003 183 HA ALA 21 HA ALA 21 -7.115 20.373 -0.364 184 HB1 ALA 21 1HB ALA 21 -8.724 19.548 -1.839 185 HB2 ALA 21 2HB ALA 21 -9.208 18.258 -0.737 186 HB3 ALA 21 3HB ALA 21 -9.640 19.930 -0.381 187 H TRP 22 H TRP 22 -8.135 17.585 1.582 188 HA TRP 22 HA TRP 22 -9.356 18.892 3.684 189 HB2 TRP 22 2HB TRP 22 -9.412 16.492 3.553 190 HB3 TRP 22 3HB TRP 22 -7.660 16.391 3.697 191 HD1 TRP 22 HD1 TRP 22 -6.609 16.913 6.153 192 HE1 TRP 22 HE1 TRP 22 -7.637 16.660 8.499 193 HE3 TRP 22 HE3 TRP 22 -11.547 16.660 4.853 194 HZ2 TRP 22 HZ2 TRP 22 -10.201 16.388 9.647 195 HZ3 TRP 22 HZ3 TRP 22 -13.224 16.402 6.635 196 HH2 TRP 22 HH2 TRP 22 -12.563 16.269 8.982 197 H PHE 23 H PHE 23 -5.906 18.224 3.219 198 HA PHE 23 HA PHE 23 -5.142 19.456 5.693 199 HB2 PHE 23 2HB PHE 23 -3.638 17.812 4.982 200 HB3 PHE 23 3HB PHE 23 -3.650 18.385 3.318 201 HD1 PHE 23 HD1 PHE 23 -2.085 19.968 2.565 202 HD2 PHE 23 HD2 PHE 23 -2.453 19.157 6.728 203 HE1 PHE 23 HE1 PHE 23 -0.034 21.257 2.994 204 HE2 PHE 23 HE2 PHE 23 -0.402 20.445 7.163 205 HZ PHE 23 HZ PHE 23 0.810 21.498 5.295 206 H LYS 24 H LYS 24 -5.543 20.490 2.393 207 HA LYS 24 HA LYS 24 -4.029 22.852 2.457 208 HB2 LYS 24 2HB LYS 24 -4.888 21.877 0.379 209 HB3 LYS 24 3HB LYS 24 -6.535 22.233 0.882 210 HG2 LYS 24 2HG LYS 24 -6.184 24.018 -0.466 211 HG3 LYS 24 3HG LYS 24 -5.554 24.692 1.039 212 HD2 LYS 24 2HD LYS 24 -3.284 23.806 0.295 213 HD3 LYS 24 3HD LYS 24 -4.022 23.561 -1.290 214 HE2 LYS 24 2HE LYS 24 -4.050 26.201 0.158 215 HE3 LYS 24 3HE LYS 24 -2.783 25.736 -0.976 216 HZ1 LYS 24 1HZ LYS 24 -4.190 25.876 -2.750 217 HZ2 LYS 24 2HZ LYS 24 -4.859 27.079 -1.768 218 HZ3 LYS 24 3HZ LYS 24 -5.579 25.550 -1.841 219 H ASN 25 H ASN 25 -7.197 22.085 3.687 220 HA ASN 25 HA ASN 25 -7.974 24.826 4.095 221 HB2 ASN 25 2HB ASN 25 -9.150 22.209 5.047 222 HB3 ASN 25 3HB ASN 25 -9.857 23.780 5.410 223 HD21 ASN 25 1HD2 ASN 25 -10.181 21.226 3.484 224 HD22 ASN 25 2HD2 ASN 25 -10.858 21.967 2.078 225 H LYS 26 H LYS 26 -5.918 22.693 5.677 226 HA LYS 26 HA LYS 26 -6.343 23.854 8.321 227 HB2 LYS 26 2HB LYS 26 -4.248 21.824 7.566 228 HB3 LYS 26 3HB LYS 26 -4.906 22.161 9.162 229 HG2 LYS 26 2HG LYS 26 -6.474 20.973 6.884 230 HG3 LYS 26 3HG LYS 26 -5.721 20.046 8.184 231 HD2 LYS 26 2HD LYS 26 -7.260 22.126 9.359 232 HD3 LYS 26 3HD LYS 26 -8.263 21.318 8.152 233 HE2 LYS 26 2HE LYS 26 -6.691 19.518 9.857 234 HE3 LYS 26 3HE LYS 26 -7.913 20.461 10.710 235 HZ1 LYS 26 1HZ LYS 26 -9.578 19.344 9.732 236 HZ2 LYS 26 2HZ LYS 26 -8.409 18.149 9.478 237 HZ3 LYS 26 3HZ LYS 26 -8.794 19.232 8.237 238 H HIS 27 H HIS 27 -4.092 23.931 5.654 239 HA HIS 27 HA HIS 27 -2.696 26.151 6.956 240 HB2 HIS 27 2HB HIS 27 -1.256 23.872 5.584 241 HB3 HIS 27 3HB HIS 27 -0.510 25.289 6.317 242 HD1 HIS 27 HD1 HIS 27 -2.355 22.135 7.253 243 HD2 HIS 27 HD2 HIS 27 -0.058 25.108 9.026 244 HE1 HIS 27 HE1 HIS 27 -1.906 21.332 9.594 245 H GLY 28 H GLY 28 -3.090 24.262 3.970 246 HA2 GLY 28 2HA GLY 28 -3.815 25.244 1.926 247 HA3 GLY 28 3HA GLY 28 -3.200 26.792 2.485 248 H TYR 29 H TYR 29 -1.310 23.882 2.783 249 HA TYR 29 HA TYR 29 0.382 24.783 0.546 250 HB2 TYR 29 2HB TYR 29 1.180 23.935 3.320 251 HB3 TYR 29 3HB TYR 29 2.306 23.815 1.973 252 HD1 TYR 29 HD1 TYR 29 3.673 25.622 1.502 253 HD2 TYR 29 HD2 TYR 29 0.040 26.289 3.614 254 HE1 TYR 29 HE1 TYR 29 4.286 27.985 1.798 255 HE2 TYR 29 HE2 TYR 29 0.643 28.654 3.916 256 HH TYR 29 HH TYR 29 2.619 30.062 3.935 257 H TYR 30 H TYR 30 2.192 22.817 0.390 258 HA TYR 30 HA TYR 30 0.822 20.247 0.411 259 HB2 TYR 30 2HB TYR 30 2.134 21.088 -2.151 260 HB3 TYR 30 3HB TYR 30 0.929 19.834 -1.880 261 HD1 TYR 30 HD1 TYR 30 1.442 23.485 -2.141 262 HD2 TYR 30 HD2 TYR 30 -1.396 20.317 -2.003 263 HE1 TYR 30 HE1 TYR 30 -0.329 25.049 -2.824 264 HE2 TYR 30 HE2 TYR 30 -3.174 21.873 -2.687 265 HH TYR 30 HH TYR 30 -2.606 24.851 -4.004 266 HA PRO 31 HA PRO 31 5.520 19.595 -0.517 267 HB2 PRO 31 2HB PRO 31 7.067 21.817 -0.722 268 HB3 PRO 31 3HB PRO 31 6.249 21.085 -2.108 269 HG2 PRO 31 2HG PRO 31 5.434 23.446 -0.458 270 HG3 PRO 31 3HG PRO 31 5.383 23.240 -2.219 271 HD2 PRO 31 2HD PRO 31 3.189 22.964 -0.656 272 HD3 PRO 31 3HD PRO 31 3.424 22.029 -2.147 273 H TRP 32 H TRP 32 7.744 20.543 0.641 274 HA TRP 32 HA TRP 32 7.091 20.407 3.451 275 HB2 TRP 32 2HB TRP 32 9.344 19.919 3.818 276 HB3 TRP 32 3HB TRP 32 9.055 19.242 2.218 277 HD1 TRP 32 HD1 TRP 32 11.094 21.858 4.024 278 HE1 TRP 32 HE1 TRP 32 12.728 22.959 2.367 279 HE3 TRP 32 HE3 TRP 32 9.257 19.920 -0.336 280 HZ2 TRP 32 HZ2 TRP 32 13.177 23.001 -0.419 281 HZ3 TRP 32 HZ3 TRP 32 10.345 20.541 -2.453 282 HH2 TRP 32 HH2 TRP 32 12.265 22.050 -2.492 283 H GLU 33 H GLU 33 7.022 22.883 1.389 284 HA GLU 33 HA GLU 33 8.456 24.839 2.981 285 HB2 GLU 33 2HB GLU 33 6.633 25.386 0.642 286 HB3 GLU 33 3HB GLU 33 7.911 26.414 1.276 287 HG2 GLU 33 2HG GLU 33 9.597 24.901 0.493 288 HG3 GLU 33 3HG GLU 33 8.376 23.729 0.003 289 H ILE 34 H ILE 34 6.581 23.658 4.549 290 HA ILE 34 HA ILE 34 4.250 25.421 4.609 291 HB ILE 34 HB ILE 34 4.881 23.008 6.313 292 HG12 ILE 34 2HG1 ILE 34 2.691 23.061 4.291 293 HG13 ILE 34 3HG1 ILE 34 4.342 22.874 3.710 294 HG21 ILE 34 1HG2 ILE 34 2.592 23.139 7.067 295 HG22 ILE 34 2HG2 ILE 34 3.408 24.667 7.397 296 HG23 ILE 34 3HG2 ILE 34 2.298 24.537 6.032 297 HD11 ILE 34 1HD1 ILE 34 3.425 21.124 5.924 298 HD12 ILE 34 2HD1 ILE 34 2.842 20.800 4.291 299 HD13 ILE 34 3HD1 ILE 34 4.574 20.803 4.625 300 HA PRO 35 HA PRO 35 6.092 27.990 7.703 301 HB2 PRO 35 2HB PRO 35 3.833 29.286 8.469 302 HB3 PRO 35 3HB PRO 35 4.672 29.632 6.952 303 HG2 PRO 35 2HG PRO 35 2.250 27.940 7.434 304 HG3 PRO 35 3HG PRO 35 2.558 29.109 6.136 305 HD2 PRO 35 2HD PRO 35 2.821 26.437 5.784 306 HD3 PRO 35 3HD PRO 35 3.831 27.617 4.925 307 H ARG 36 H ARG 36 5.127 28.799 10.019 308 HA ARG 36 HA ARG 36 5.128 26.426 11.626 309 HB2 ARG 36 2HB ARG 36 4.697 29.289 12.494 310 HB3 ARG 36 3HB ARG 36 5.147 27.936 13.524 311 HG2 ARG 36 2HG ARG 36 7.238 28.646 13.237 312 HG3 ARG 36 3HG ARG 36 7.126 27.910 11.637 313 HD2 ARG 36 2HD ARG 36 6.866 29.920 10.580 314 HD3 ARG 36 3HD ARG 36 6.101 30.677 11.977 315 HE ARG 36 HE ARG 36 8.657 30.258 12.789 316 HH11 ARG 36 1HH1 ARG 36 7.216 31.830 10.038 317 HH12 ARG 36 2HH1 ARG 36 8.502 32.977 9.855 318 HH21 ARG 36 1HH2 ARG 36 10.356 31.763 12.560 319 HH22 ARG 36 2HH2 ARG 36 10.288 32.937 11.290 320 H CYS 37 H CYS 37 3.508 26.767 13.697 321 HA CYS 37 HA CYS 37 1.030 25.855 12.842 322 HB2 CYS 37 2HB CYS 37 1.799 27.172 15.453 323 HB3 CYS 37 3HB CYS 37 0.266 26.355 15.177 324 HG CYS 37 HG CYS 37 1.312 24.282 16.335 Start of MODEL 20 1 H MET 1 H MET 1 5.579 -2.832 -1.350 2 HA MET 1 HA MET 1 3.850 -1.396 -1.718 3 HB2 MET 1 2HB MET 1 4.400 -0.843 1.178 4 HB3 MET 1 3HB MET 1 3.264 0.165 0.291 5 HG2 MET 1 2HG MET 1 2.590 -2.504 -0.283 6 HG3 MET 1 3HG MET 1 2.870 -2.409 1.455 7 HE1 MET 1 1HE MET 1 -0.428 -2.871 1.452 8 HE2 MET 1 2HE MET 1 1.039 -2.812 2.429 9 HE3 MET 1 3HE MET 1 -0.263 -1.657 2.721 10 H LYS 2 H LYS 2 3.358 1.022 -1.839 11 HA LYS 2 HA LYS 2 3.954 3.052 -2.677 12 HB2 LYS 2 2HB LYS 2 5.888 2.574 -0.464 13 HB3 LYS 2 3HB LYS 2 6.208 3.922 -1.548 14 HG2 LYS 2 2HG LYS 2 4.978 4.965 0.065 15 HG3 LYS 2 3HG LYS 2 3.698 4.503 -1.060 16 HD2 LYS 2 2HD LYS 2 2.740 3.660 0.804 17 HD3 LYS 2 3HD LYS 2 3.804 2.290 0.476 18 HE2 LYS 2 2HE LYS 2 5.492 3.281 1.975 19 HE3 LYS 2 3HE LYS 2 4.377 4.598 2.333 20 HZ1 LYS 2 1HZ LYS 2 3.185 2.030 2.728 21 HZ2 LYS 2 2HZ LYS 2 3.288 3.343 3.789 22 HZ3 LYS 2 3HZ LYS 2 4.564 2.238 3.686 23 H PHE 3 H PHE 3 4.368 1.721 -4.676 24 HA PHE 3 HA PHE 3 7.201 1.585 -5.400 25 HB2 PHE 3 2HB PHE 3 4.702 0.341 -6.483 26 HB3 PHE 3 3HB PHE 3 6.104 0.511 -7.535 27 HD1 PHE 3 HD1 PHE 3 7.199 -1.483 -7.780 28 HD2 PHE 3 HD2 PHE 3 5.653 -0.442 -3.953 29 HE1 PHE 3 HE1 PHE 3 8.157 -3.544 -6.836 30 HE2 PHE 3 HE2 PHE 3 6.609 -2.500 -3.003 31 HZ PHE 3 HZ PHE 3 7.863 -4.054 -4.444 32 H LYS 4 H LYS 4 7.694 2.207 -7.728 33 HA LYS 4 HA LYS 4 6.357 4.762 -8.337 34 HB2 LYS 4 2HB LYS 4 9.190 4.014 -9.063 35 HB3 LYS 4 3HB LYS 4 8.440 5.600 -9.177 36 HG2 LYS 4 2HG LYS 4 9.407 6.010 -7.216 37 HG3 LYS 4 3HG LYS 4 8.138 4.997 -6.524 38 HD2 LYS 4 2HD LYS 4 9.845 3.793 -5.697 39 HD3 LYS 4 3HD LYS 4 9.951 3.129 -7.329 40 HE2 LYS 4 2HE LYS 4 12.139 3.847 -6.560 41 HE3 LYS 4 3HE LYS 4 11.603 4.847 -7.909 42 HZ1 LYS 4 1HZ LYS 4 12.275 5.622 -5.261 43 HZ2 LYS 4 2HZ LYS 4 10.706 6.123 -5.643 44 HZ3 LYS 4 3HZ LYS 4 12.005 6.589 -6.622 45 H PHE 5 H PHE 5 7.498 1.721 -9.585 46 HA PHE 5 HA PHE 5 6.906 2.451 -12.335 47 HB2 PHE 5 2HB PHE 5 7.809 -0.188 -11.161 48 HB3 PHE 5 3HB PHE 5 7.686 0.182 -12.878 49 HD1 PHE 5 HD1 PHE 5 9.081 2.208 -13.709 50 HD2 PHE 5 HD2 PHE 5 9.812 0.132 -10.066 51 HE1 PHE 5 HE1 PHE 5 11.391 3.057 -13.692 52 HE2 PHE 5 HE2 PHE 5 12.122 0.978 -10.043 53 HZ PHE 5 HZ PHE 5 12.914 2.443 -11.857 54 H ASN 6 H ASN 6 5.533 0.580 -9.714 55 HA ASN 6 HA ASN 6 3.663 -0.958 -11.041 56 HB2 ASN 6 2HB ASN 6 3.939 0.150 -8.326 57 HB3 ASN 6 3HB ASN 6 2.286 -0.235 -8.796 58 HD21 ASN 6 1HD2 ASN 6 2.577 -1.779 -6.997 59 HD22 ASN 6 2HD2 ASN 6 3.237 -3.333 -7.365 60 HA PRO 7 HA PRO 7 0.594 1.690 -12.718 61 HB2 PRO 7 2HB PRO 7 -1.703 0.350 -12.169 62 HB3 PRO 7 3HB PRO 7 -0.538 -0.196 -13.382 63 HG2 PRO 7 2HG PRO 7 -0.911 -1.124 -10.560 64 HG3 PRO 7 3HG PRO 7 -0.625 -2.083 -12.025 65 HD2 PRO 7 2HD PRO 7 1.342 -1.501 -10.258 66 HD3 PRO 7 3HD PRO 7 1.644 -1.679 -11.998 67 H THR 8 H THR 8 0.058 0.644 -9.391 68 HA THR 8 HA THR 8 -1.981 2.418 -8.688 69 HB THR 8 HB THR 8 -1.076 0.478 -7.309 70 HG1 THR 8 HG1 THR 8 -2.613 1.960 -6.473 71 HG21 THR 8 1HG2 THR 8 0.864 2.589 -6.361 72 HG22 THR 8 2HG2 THR 8 1.293 1.206 -7.368 73 HG23 THR 8 3HG2 THR 8 0.694 0.952 -5.729 74 H GLY 9 H GLY 9 1.328 3.006 -9.363 75 HA2 GLY 9 2HA GLY 9 1.966 5.186 -7.792 76 HA3 GLY 9 3HA GLY 9 2.532 4.961 -9.440 77 H THR 10 H THR 10 0.074 5.141 -10.785 78 HA THR 10 HA THR 10 -0.219 7.990 -10.873 79 HB THR 10 HB THR 10 -1.820 5.873 -12.325 80 HG1 THR 10 HG1 THR 10 -0.332 6.196 -13.989 81 HG21 THR 10 1HG2 THR 10 -2.963 7.522 -13.306 82 HG22 THR 10 2HG2 THR 10 -1.485 8.414 -13.665 83 HG23 THR 10 3HG2 THR 10 -2.278 8.615 -12.104 84 H ILE 11 H ILE 11 -2.431 5.306 -10.102 85 HA ILE 11 HA ILE 11 -4.684 6.793 -9.474 86 HB ILE 11 HB ILE 11 -3.761 4.215 -8.199 87 HG12 ILE 11 2HG1 ILE 11 -5.833 3.650 -9.928 88 HG13 ILE 11 3HG1 ILE 11 -4.945 4.901 -10.791 89 HG21 ILE 11 1HG2 ILE 11 -6.131 3.882 -7.636 90 HG22 ILE 11 2HG2 ILE 11 -5.447 5.293 -6.831 91 HG23 ILE 11 3HG2 ILE 11 -6.488 5.501 -8.239 92 HD11 ILE 11 1HD1 ILE 11 -4.111 2.152 -10.041 93 HD12 ILE 11 2HD1 ILE 11 -3.894 3.031 -11.555 94 HD13 ILE 11 3HD1 ILE 11 -2.881 3.410 -10.163 95 H VAL 12 H VAL 12 -2.202 5.591 -7.210 96 HA VAL 12 HA VAL 12 -3.176 6.749 -4.891 97 HB VAL 12 HB VAL 12 -0.297 6.281 -5.677 98 HG11 VAL 12 1HG1 VAL 12 0.155 6.317 -3.249 99 HG12 VAL 12 2HG1 VAL 12 -0.387 7.879 -3.865 100 HG13 VAL 12 3HG1 VAL 12 -1.504 6.847 -2.971 101 HG21 VAL 12 1HG2 VAL 12 -2.172 4.400 -5.439 102 HG22 VAL 12 2HG2 VAL 12 -0.502 4.144 -4.932 103 HG23 VAL 12 3HG2 VAL 12 -1.732 4.560 -3.739 104 H LYS 13 H LYS 13 -1.387 8.191 -7.520 105 HA LYS 13 HA LYS 13 -0.762 10.617 -6.121 106 HB2 LYS 13 2HB LYS 13 0.594 10.953 -7.864 107 HB3 LYS 13 3HB LYS 13 0.050 9.410 -8.509 108 HG2 LYS 13 2HG LYS 13 -1.733 10.548 -9.732 109 HG3 LYS 13 3HG LYS 13 -1.182 12.097 -9.087 110 HD2 LYS 13 2HD LYS 13 1.104 10.954 -10.169 111 HD3 LYS 13 3HD LYS 13 -0.169 10.551 -11.323 112 HE2 LYS 13 2HE LYS 13 0.808 12.653 -11.953 113 HE3 LYS 13 3HE LYS 13 -0.824 12.945 -11.354 114 HZ1 LYS 13 1HZ LYS 13 0.905 13.116 -9.180 115 HZ2 LYS 13 2HZ LYS 13 0.026 14.365 -9.907 116 HZ3 LYS 13 3HZ LYS 13 1.600 14.025 -10.427 117 H LYS 14 H LYS 14 -3.332 9.497 -8.227 118 HA LYS 14 HA LYS 14 -4.511 12.092 -8.567 119 HB2 LYS 14 2HB LYS 14 -5.567 9.315 -9.118 120 HB3 LYS 14 3HB LYS 14 -6.420 10.795 -9.535 121 HG2 LYS 14 2HG LYS 14 -3.765 9.876 -10.614 122 HG3 LYS 14 3HG LYS 14 -5.302 9.944 -11.480 123 HD2 LYS 14 2HD LYS 14 -5.328 12.399 -11.154 124 HD3 LYS 14 3HD LYS 14 -3.737 12.287 -10.398 125 HE2 LYS 14 2HE LYS 14 -3.481 12.931 -12.707 126 HE3 LYS 14 3HE LYS 14 -2.858 11.297 -12.485 127 HZ1 LYS 14 1HZ LYS 14 -4.251 11.615 -14.503 128 HZ2 LYS 14 2HZ LYS 14 -5.583 11.887 -13.497 129 HZ3 LYS 14 3HZ LYS 14 -4.799 10.388 -13.475 130 H LEU 15 H LEU 15 -5.336 9.192 -6.680 131 HA LEU 15 HA LEU 15 -7.643 10.155 -5.460 132 HB2 LEU 15 2HB LEU 15 -5.600 8.110 -4.729 133 HB3 LEU 15 3HB LEU 15 -6.821 8.563 -3.542 134 HG LEU 15 HG LEU 15 -7.251 6.494 -4.986 135 HD11 LEU 15 1HD1 LEU 15 -9.421 6.723 -4.475 136 HD12 LEU 15 2HD1 LEU 15 -9.574 8.246 -5.350 137 HD13 LEU 15 3HD1 LEU 15 -8.907 8.231 -3.718 138 HD21 LEU 15 1HD2 LEU 15 -8.253 6.906 -7.161 139 HD22 LEU 15 2HD2 LEU 15 -6.593 7.501 -7.123 140 HD23 LEU 15 3HD2 LEU 15 -7.940 8.634 -6.998 141 H THR 16 H THR 16 -4.275 10.726 -4.715 142 HA THR 16 HA THR 16 -4.734 11.899 -2.149 143 HB THR 16 HB THR 16 -2.340 12.117 -3.984 144 HG1 THR 16 HG1 THR 16 -2.861 10.459 -1.721 145 HG21 THR 16 1HG2 THR 16 -1.498 12.471 -1.371 146 HG22 THR 16 2HG2 THR 16 -2.987 13.413 -1.461 147 HG23 THR 16 3HG2 THR 16 -1.670 13.734 -2.589 148 H GLN 17 H GLN 17 -4.683 13.062 -5.432 149 HA GLN 17 HA GLN 17 -4.257 15.777 -5.047 150 HB2 GLN 17 2HB GLN 17 -4.609 14.380 -7.227 151 HB3 GLN 17 3HB GLN 17 -6.300 14.817 -7.020 152 HG2 GLN 17 2HG GLN 17 -4.709 17.158 -6.718 153 HG3 GLN 17 3HG GLN 17 -4.228 16.325 -8.195 154 HE21 GLN 17 1HE2 GLN 17 -5.323 16.855 -9.934 155 HE22 GLN 17 2HE2 GLN 17 -6.935 17.475 -9.979 156 H TYR 18 H TYR 18 -7.013 13.833 -4.272 157 HA TYR 18 HA TYR 18 -8.690 16.184 -3.820 158 HB2 TYR 18 2HB TYR 18 -9.327 13.234 -3.609 159 HB3 TYR 18 3HB TYR 18 -10.485 14.538 -3.374 160 HD1 TYR 18 HD1 TYR 18 -8.165 13.089 -5.899 161 HD2 TYR 18 HD2 TYR 18 -11.668 15.400 -5.194 162 HE1 TYR 18 HE1 TYR 18 -8.644 13.089 -8.312 163 HE2 TYR 18 HE2 TYR 18 -12.157 15.405 -7.604 164 HH TYR 18 HH TYR 18 -9.876 14.277 -9.944 165 H GLU 19 H GLU 19 -6.869 13.769 -2.108 166 HA GLU 19 HA GLU 19 -8.069 14.201 0.447 167 HB2 GLU 19 2HB GLU 19 -5.393 12.995 -0.280 168 HB3 GLU 19 3HB GLU 19 -6.129 12.936 1.315 169 HG2 GLU 19 2HG GLU 19 -7.456 11.804 -1.128 170 HG3 GLU 19 3HG GLU 19 -6.362 10.870 -0.110 171 H ILE 20 H ILE 20 -5.276 15.513 -1.248 172 HA ILE 20 HA ILE 20 -3.994 16.837 0.815 173 HB ILE 20 HB ILE 20 -4.327 17.806 -2.027 174 HG12 ILE 20 2HG1 ILE 20 -1.819 16.523 -1.130 175 HG13 ILE 20 3HG1 ILE 20 -3.213 15.456 -1.256 176 HG21 ILE 20 1HG2 ILE 20 -3.202 19.609 -1.388 177 HG22 ILE 20 2HG2 ILE 20 -3.045 18.979 0.251 178 HG23 ILE 20 3HG2 ILE 20 -1.841 18.569 -0.970 179 HD11 ILE 20 1HD1 ILE 20 -3.259 16.939 -3.598 180 HD12 ILE 20 2HD1 ILE 20 -1.554 16.573 -3.327 181 HD13 ILE 20 3HD1 ILE 20 -2.735 15.266 -3.407 182 H ALA 21 H ALA 21 -6.917 17.698 -0.906 183 HA ALA 21 HA ALA 21 -7.184 20.374 -0.303 184 HB1 ALA 21 1HB ALA 21 -8.757 19.287 -1.744 185 HB2 ALA 21 2HB ALA 21 -9.309 18.242 -0.434 186 HB3 ALA 21 3HB ALA 21 -9.640 19.974 -0.380 187 H TRP 22 H TRP 22 -8.059 17.585 1.711 188 HA TRP 22 HA TRP 22 -9.270 18.883 3.824 189 HB2 TRP 22 2HB TRP 22 -9.228 16.470 3.703 190 HB3 TRP 22 3HB TRP 22 -7.474 16.451 3.860 191 HD1 TRP 22 HD1 TRP 22 -6.471 17.106 6.315 192 HE1 TRP 22 HE1 TRP 22 -7.500 16.830 8.658 193 HE3 TRP 22 HE3 TRP 22 -11.370 16.502 4.983 194 HZ2 TRP 22 HZ2 TRP 22 -10.051 16.411 9.792 195 HZ3 TRP 22 HZ3 TRP 22 -13.041 16.169 6.757 196 HH2 TRP 22 HH2 TRP 22 -12.394 16.124 9.111 197 H PHE 23 H PHE 23 -5.811 18.325 3.279 198 HA PHE 23 HA PHE 23 -5.027 19.619 5.714 199 HB2 PHE 23 2HB PHE 23 -3.486 18.016 4.988 200 HB3 PHE 23 3HB PHE 23 -3.560 18.563 3.316 201 HD1 PHE 23 HD1 PHE 23 -2.303 19.426 6.682 202 HD2 PHE 23 HD2 PHE 23 -2.071 20.187 2.500 203 HE1 PHE 23 HE1 PHE 23 -0.287 20.789 7.045 204 HE2 PHE 23 HE2 PHE 23 -0.055 21.551 2.857 205 HZ PHE 23 HZ PHE 23 0.840 21.853 5.131 206 H LYS 24 H LYS 24 -5.547 20.587 2.410 207 HA LYS 24 HA LYS 24 -4.113 23.000 2.400 208 HB2 LYS 24 2HB LYS 24 -4.992 21.965 0.360 209 HB3 LYS 24 3HB LYS 24 -6.637 22.273 0.901 210 HG2 LYS 24 2HG LYS 24 -6.382 24.047 -0.482 211 HG3 LYS 24 3HG LYS 24 -5.737 24.766 0.996 212 HD2 LYS 24 2HD LYS 24 -3.457 23.945 0.206 213 HD3 LYS 24 3HD LYS 24 -4.227 23.651 -1.355 214 HE2 LYS 24 2HE LYS 24 -4.309 26.310 0.055 215 HE3 LYS 24 3HE LYS 24 -3.056 25.872 -1.105 216 HZ1 LYS 24 1HZ LYS 24 -4.449 26.698 -2.615 217 HZ2 LYS 24 2HZ LYS 24 -5.776 26.673 -1.566 218 HZ3 LYS 24 3HZ LYS 24 -5.345 25.277 -2.419 219 H ASN 25 H ASN 25 -7.221 22.147 3.724 220 HA ASN 25 HA ASN 25 -8.079 24.866 4.113 221 HB2 ASN 25 2HB ASN 25 -9.139 22.215 5.099 222 HB3 ASN 25 3HB ASN 25 -9.878 23.758 5.518 223 HD21 ASN 25 1HD2 ASN 25 -10.068 21.220 3.481 224 HD22 ASN 25 2HD2 ASN 25 -10.878 21.964 2.149 225 H LYS 26 H LYS 26 -5.912 22.827 5.671 226 HA LYS 26 HA LYS 26 -6.308 24.014 8.308 227 HB2 LYS 26 2HB LYS 26 -4.165 22.044 7.527 228 HB3 LYS 26 3HB LYS 26 -4.792 22.383 9.135 229 HG2 LYS 26 2HG LYS 26 -6.377 21.108 6.916 230 HG3 LYS 26 3HG LYS 26 -5.560 20.228 8.210 231 HD2 LYS 26 2HD LYS 26 -6.942 21.307 9.871 232 HD3 LYS 26 3HD LYS 26 -7.690 22.322 8.636 233 HE2 LYS 26 2HE LYS 26 -8.180 19.884 7.604 234 HE3 LYS 26 3HE LYS 26 -8.170 19.491 9.323 235 HZ1 LYS 26 1HZ LYS 26 -9.818 21.635 8.096 236 HZ2 LYS 26 2HZ LYS 26 -9.863 21.129 9.709 237 HZ3 LYS 26 3HZ LYS 26 -10.386 20.089 8.482 238 H HIS 27 H HIS 27 -4.130 24.127 5.582 239 HA HIS 27 HA HIS 27 -2.778 26.412 6.814 240 HB2 HIS 27 2HB HIS 27 -1.296 24.162 5.438 241 HB3 HIS 27 3HB HIS 27 -0.580 25.614 6.131 242 HD1 HIS 27 HD1 HIS 27 -2.292 22.414 7.159 243 HD2 HIS 27 HD2 HIS 27 -0.054 25.490 8.830 244 HE1 HIS 27 HE1 HIS 27 -1.757 21.662 9.498 245 H GLY 28 H GLY 28 -3.183 24.464 3.867 246 HA2 GLY 28 2HA GLY 28 -3.995 25.390 1.829 247 HA3 GLY 28 3HA GLY 28 -3.418 26.966 2.349 248 H TYR 29 H TYR 29 -1.423 24.126 2.640 249 HA TYR 29 HA TYR 29 0.179 25.049 0.346 250 HB2 TYR 29 2HB TYR 29 1.077 24.271 3.110 251 HB3 TYR 29 3HB TYR 29 2.171 24.169 1.736 252 HD1 TYR 29 HD1 TYR 29 3.463 26.013 1.204 253 HD2 TYR 29 HD2 TYR 29 -0.136 26.590 3.399 254 HE1 TYR 29 HE1 TYR 29 4.003 28.400 1.450 255 HE2 TYR 29 HE2 TYR 29 0.394 28.979 3.650 256 HH TYR 29 HH TYR 29 2.443 30.608 1.855 257 H TYR 30 H TYR 30 2.050 23.143 0.172 258 HA TYR 30 HA TYR 30 0.769 20.529 0.266 259 HB2 TYR 30 2HB TYR 30 1.985 21.374 -2.341 260 HB3 TYR 30 3HB TYR 30 0.832 20.084 -2.020 261 HD1 TYR 30 HD1 TYR 30 1.212 23.745 -2.349 262 HD2 TYR 30 HD2 TYR 30 -1.511 20.486 -2.088 263 HE1 TYR 30 HE1 TYR 30 -0.628 25.238 -3.008 264 HE2 TYR 30 HE2 TYR 30 -3.358 21.970 -2.747 265 HH TYR 30 HH TYR 30 -2.778 25.343 -3.639 266 HA PRO 31 HA PRO 31 5.462 20.022 -0.775 267 HB2 PRO 31 2HB PRO 31 6.926 22.291 -1.054 268 HB3 PRO 31 3HB PRO 31 6.098 21.510 -2.406 269 HG2 PRO 31 2HG PRO 31 5.246 23.868 -0.771 270 HG3 PRO 31 3HG PRO 31 5.157 23.633 -2.526 271 HD2 PRO 31 2HD PRO 31 3.015 23.307 -0.902 272 HD3 PRO 31 3HD PRO 31 3.242 22.357 -2.385 273 H TRP 32 H TRP 32 7.681 21.061 0.310 274 HA TRP 32 HA TRP 32 7.106 20.947 3.138 275 HB2 TRP 32 2HB TRP 32 9.383 20.541 3.452 276 HB3 TRP 32 3HB TRP 32 9.076 19.830 1.870 277 HD1 TRP 32 HD1 TRP 32 11.071 22.541 3.585 278 HE1 TRP 32 HE1 TRP 32 12.622 23.671 1.870 279 HE3 TRP 32 HE3 TRP 32 9.190 20.476 -0.697 280 HZ2 TRP 32 HZ2 TRP 32 12.999 23.686 -0.927 281 HZ3 TRP 32 HZ3 TRP 32 10.202 21.101 -2.851 282 HH2 TRP 32 HH2 TRP 32 12.067 22.673 -2.962 283 H GLU 33 H GLU 33 6.899 23.387 1.042 284 HA GLU 33 HA GLU 33 8.306 25.414 2.567 285 HB2 GLU 33 2HB GLU 33 6.406 25.864 0.269 286 HB3 GLU 33 3HB GLU 33 7.664 26.943 0.855 287 HG2 GLU 33 2HG GLU 33 9.380 25.477 0.050 288 HG3 GLU 33 3HG GLU 33 8.187 24.256 -0.391 289 H ILE 34 H ILE 34 6.514 24.195 4.201 290 HA ILE 34 HA ILE 34 4.126 25.880 4.297 291 HB ILE 34 HB ILE 34 4.883 23.516 6.019 292 HG12 ILE 34 2HG1 ILE 34 2.641 23.463 4.053 293 HG13 ILE 34 3HG1 ILE 34 4.282 23.322 3.433 294 HG21 ILE 34 1HG2 ILE 34 3.381 25.143 7.114 295 HG22 ILE 34 2HG2 ILE 34 2.243 24.951 5.781 296 HG23 ILE 34 3HG2 ILE 34 2.610 23.582 6.830 297 HD11 ILE 34 1HD1 ILE 34 3.412 21.575 5.681 298 HD12 ILE 34 2HD1 ILE 34 2.916 21.197 4.031 299 HD13 ILE 34 3HD1 ILE 34 4.629 21.290 4.438 300 HA PRO 35 HA PRO 35 5.958 28.556 7.304 301 HB2 PRO 35 2HB PRO 35 3.677 29.787 8.110 302 HB3 PRO 35 3HB PRO 35 4.464 30.138 6.567 303 HG2 PRO 35 2HG PRO 35 2.114 28.373 7.137 304 HG3 PRO 35 3HG PRO 35 2.349 29.531 5.814 305 HD2 PRO 35 2HD PRO 35 2.693 26.864 5.494 306 HD3 PRO 35 3HD PRO 35 3.640 28.065 4.592 307 H ARG 36 H ARG 36 5.031 29.367 9.633 308 HA ARG 36 HA ARG 36 4.449 26.899 11.136 309 HB2 ARG 36 2HB ARG 36 5.963 29.280 12.202 310 HB3 ARG 36 3HB ARG 36 5.821 27.683 12.923 311 HG2 ARG 36 2HG ARG 36 7.276 28.344 10.371 312 HG3 ARG 36 3HG ARG 36 8.017 28.018 11.939 313 HD2 ARG 36 2HD ARG 36 6.347 25.846 11.505 314 HD3 ARG 36 3HD ARG 36 7.050 26.174 9.921 315 HE ARG 36 HE ARG 36 9.042 25.385 10.702 316 HH11 ARG 36 1HH1 ARG 36 7.033 26.223 13.418 317 HH12 ARG 36 2HH1 ARG 36 8.138 25.594 14.596 318 HH21 ARG 36 1HH2 ARG 36 10.505 24.553 12.242 319 HH22 ARG 36 2HH2 ARG 36 10.112 24.645 13.926 320 H CYS 37 H CYS 37 3.321 27.218 13.199 321 HA CYS 37 HA CYS 37 0.985 28.763 12.873 322 HB2 CYS 37 2HB CYS 37 0.362 27.999 15.076 323 HB3 CYS 37 3HB CYS 37 1.132 26.670 14.218 324 HG CYS 37 HG CYS 37 2.762 26.140 16.116
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