NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592043 | 2mqf | 25031 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.848 0.533 0.727 2 HA ALA 1 HA ALA 1 2.215 1.033 -1.563 3 HB1 ALA 1 HB1 ALA 1 4.231 0.093 -1.401 4 HB2 ALA 1 HB2 ALA 1 3.635 -0.732 0.060 5 HB3 ALA 1 HB3 ALA 1 3.554 -1.550 -1.520 6 H GLU 2 H GLU 2 1.775 0.702 -3.668 7 HA GLU 2 HA GLU 2 0.699 -1.920 -4.511 8 HB2 GLU 2 HB2 GLU 2 -0.844 0.681 -4.836 9 HB3 GLU 2 HB3 GLU 2 -1.269 -0.861 -5.604 10 HG2 GLU 2 HG2 GLU 2 -1.594 -1.877 -3.400 11 HG3 GLU 2 HG3 GLU 2 -1.160 -0.336 -2.625 12 H CYS 3 H CYS 3 0.270 -1.921 -6.933 13 HA CYS 3 HA CYS 3 2.668 -0.967 -8.228 14 HB2 CYS 3 HB2 CYS 3 1.652 -1.923 -10.280 15 HB3 CYS 3 HB3 CYS 3 1.599 -3.056 -8.913 16 H LYS 4 H LYS 4 2.210 -0.009 -10.616 17 HA LYS 4 HA LYS 4 0.758 2.547 -10.077 18 HB2 LYS 4 HB2 LYS 4 3.015 1.914 -12.015 19 HB3 LYS 4 HB3 LYS 4 2.199 3.485 -11.890 20 HG2 LYS 4 HG2 LYS 4 2.909 3.483 -9.438 21 HG3 LYS 4 HG3 LYS 4 3.976 2.124 -9.868 22 HD2 LYS 4 HD2 LYS 4 5.353 3.433 -11.164 23 HD3 LYS 4 HD3 LYS 4 4.059 4.590 -11.559 24 HE2 LYS 4 HE2 LYS 4 4.338 5.782 -9.612 25 HE3 LYS 4 HE3 LYS 4 4.969 4.379 -8.717 26 HZ1 LYS 4 HZ1 LYS 4 6.380 6.231 -10.516 27 HZ2 LYS 4 HZ2 LYS 4 6.936 4.638 -10.395 28 HZ3 LYS 4 HZ3 LYS 4 6.857 5.613 -9.015 29 H GLY 5 H GLY 5 -0.648 3.423 -11.590 30 HA2 GLY 5 HA2 GLY 5 -1.847 1.392 -13.371 31 HA3 GLY 5 HA3 GLY 5 -2.522 2.982 -12.965 32 H PHE 6 H PHE 6 -2.978 2.852 -15.352 33 HA PHE 6 HA PHE 6 -0.661 3.264 -17.097 34 HB2 PHE 6 HB2 PHE 6 -2.563 2.069 -17.998 35 HB3 PHE 6 HB3 PHE 6 -3.660 3.403 -17.580 36 HD1 PHE 6 HD2 PHE 6 -0.997 2.294 -19.862 37 HD2 PHE 6 HD1 PHE 6 -3.820 5.347 -18.959 38 HE1 PHE 6 HE2 PHE 6 -0.637 3.279 -22.088 39 HE2 PHE 6 HE1 PHE 6 -3.467 6.337 -21.183 40 HZ PHE 6 HZ PHE 6 -1.873 5.304 -22.750 41 H GLY 7 H GLY 7 0.108 5.134 -17.929 42 HA2 GLY 7 HA2 GLY 7 0.087 7.441 -18.442 43 HA3 GLY 7 HA3 GLY 7 -1.444 7.619 -17.563 44 H LYS 8 H LYS 8 0.847 5.851 -15.789 45 HA LYS 8 HA LYS 8 1.322 8.246 -14.091 46 HB2 LYS 8 HB2 LYS 8 1.471 5.262 -13.592 47 HB3 LYS 8 HB3 LYS 8 2.160 6.437 -12.454 48 HG2 LYS 8 HG2 LYS 8 -0.684 6.758 -13.341 49 HG3 LYS 8 HG3 LYS 8 -0.275 5.515 -12.134 50 HD2 LYS 8 HD2 LYS 8 -0.693 7.290 -10.743 51 HD3 LYS 8 HD3 LYS 8 1.048 7.531 -11.027 52 HE2 LYS 8 HE2 LYS 8 0.716 9.356 -12.381 53 HE3 LYS 8 HE3 LYS 8 -0.888 8.803 -12.918 54 HZ1 LYS 8 HZ1 LYS 8 -0.289 10.651 -10.911 55 HZ2 LYS 8 HZ2 LYS 8 -0.960 9.301 -10.145 56 HZ3 LYS 8 HZ3 LYS 8 -1.812 10.083 -11.381 57 H SER 9 H SER 9 3.386 8.776 -13.292 58 HA SER 9 HA SER 9 5.522 8.113 -15.214 59 HB2 SER 9 HB2 SER 9 6.685 9.980 -14.352 60 HB3 SER 9 HB3 SER 9 4.975 10.468 -14.284 61 HG SER 9 HG SER 9 5.636 9.179 -12.004 62 H CYS 10 H CYS 10 6.928 6.538 -14.917 63 HA CYS 10 HA CYS 10 7.672 5.843 -12.113 64 HB2 CYS 10 HB2 CYS 10 7.533 3.484 -12.569 65 HB3 CYS 10 HB3 CYS 10 5.984 4.215 -13.044 66 H VAL 11 H VAL 11 9.650 4.356 -12.096 67 HA VAL 11 HA VAL 11 11.601 5.530 -14.016 68 HB VAL 11 HB VAL 11 12.090 4.048 -11.410 69 HG11 VAL 11 HG11 VAL 11 14.394 4.773 -11.629 70 HG12 VAL 11 HG12 VAL 11 13.919 3.847 -13.074 71 HG13 VAL 11 HG13 VAL 11 14.014 5.623 -13.146 72 HG21 VAL 11 HG21 VAL 11 11.636 5.970 -10.383 73 HG22 VAL 11 HG22 VAL 11 12.957 6.744 -11.291 74 HG23 VAL 11 HG23 VAL 11 11.301 6.759 -11.943 75 HA PRO 12 HA PRO 12 11.863 1.656 -16.152 76 HB2 PRO 12 HB2 PRO 12 14.153 2.185 -17.537 77 HB3 PRO 12 HB3 PRO 12 12.575 2.898 -17.959 78 HG2 PRO 12 HG2 PRO 12 14.858 4.093 -16.401 79 HG3 PRO 12 HG3 PRO 12 13.836 4.839 -17.667 80 HD2 PRO 12 HD2 PRO 12 13.443 5.281 -15.011 81 HD3 PRO 12 HD3 PRO 12 12.101 5.260 -16.198 82 H GLY 13 H GLY 13 12.587 -0.256 -15.479 83 HA2 GLY 13 HA2 GLY 13 14.537 -1.690 -15.063 84 HA3 GLY 13 HA3 GLY 13 15.314 -0.327 -14.236 85 H LYS 14 H LYS 14 12.534 0.253 -13.023 86 HA LYS 14 HA LYS 14 12.969 -1.538 -10.704 87 HB2 LYS 14 HB2 LYS 14 11.536 1.073 -11.157 88 HB3 LYS 14 HB3 LYS 14 11.099 0.066 -9.763 89 HG2 LYS 14 HG2 LYS 14 13.097 0.412 -8.704 90 HG3 LYS 14 HG3 LYS 14 13.988 0.661 -10.225 91 HD2 LYS 14 HD2 LYS 14 13.347 2.878 -10.395 92 HD3 LYS 14 HD3 LYS 14 11.885 2.640 -9.406 93 HE2 LYS 14 HE2 LYS 14 13.522 3.937 -8.167 94 HE3 LYS 14 HE3 LYS 14 13.315 2.339 -7.410 95 HZ1 LYS 14 HZ1 LYS 14 15.444 1.852 -7.763 96 HZ2 LYS 14 HZ2 LYS 14 15.686 3.482 -8.149 97 HZ3 LYS 14 HZ3 LYS 14 15.399 2.356 -9.378 98 H ASN 15 H ASN 15 10.728 -1.937 -9.474 99 HA ASN 15 HA ASN 15 8.914 -3.167 -11.513 100 HB2 ASN 15 HB2 ASN 15 10.108 -4.249 -8.990 101 HB3 ASN 15 HB3 ASN 15 8.436 -4.719 -9.369 102 HD21 ASN 15 HD21 ASN 15 8.338 -5.031 -11.996 103 HD22 ASN 15 HD22 ASN 15 9.502 -6.290 -12.538 104 H GLU 16 H GLU 16 7.882 -0.986 -11.351 105 HA GLU 16 HA GLU 16 6.153 -0.832 -8.916 106 HB2 GLU 16 HB2 GLU 16 6.856 1.358 -10.906 107 HB3 GLU 16 HB3 GLU 16 5.862 1.548 -9.449 108 HG2 GLU 16 HG2 GLU 16 8.653 0.493 -9.192 109 HG3 GLU 16 HG3 GLU 16 8.391 2.234 -9.457 110 H CYS 17 H CYS 17 6.232 -0.703 -12.462 111 HA CYS 17 HA CYS 17 3.538 -0.105 -12.969 112 HB2 CYS 17 HB2 CYS 17 5.568 -1.813 -14.421 113 HB3 CYS 17 HB3 CYS 17 3.915 -1.630 -15.044 114 H CYS 18 H CYS 18 1.678 -1.336 -13.362 115 HA CYS 18 HA CYS 18 1.396 -3.594 -11.551 116 HB2 CYS 18 HB2 CYS 18 -0.316 -1.692 -12.626 117 HB3 CYS 18 HB3 CYS 18 -0.787 -3.177 -13.479 118 H SER 19 H SER 19 -0.303 -5.336 -12.744 119 HA SER 19 HA SER 19 1.553 -6.884 -14.371 120 HB2 SER 19 HB2 SER 19 -0.295 -7.643 -12.608 121 HB3 SER 19 HB3 SER 19 -1.330 -7.670 -14.056 122 HG SER 19 HG SER 19 -0.296 -9.700 -13.661 123 H GLY 20 H GLY 20 1.636 -7.129 -16.515 124 HA2 GLY 20 HA2 GLY 20 0.678 -7.226 -18.702 125 HA3 GLY 20 HA3 GLY 20 -0.721 -6.301 -18.124 126 H TYR 21 H TYR 21 1.312 -4.442 -16.744 127 HA TYR 21 HA TYR 21 1.587 -2.685 -19.104 128 HB2 TYR 21 HB2 TYR 21 2.026 -2.193 -16.134 129 HB3 TYR 21 HB3 TYR 21 2.206 -0.958 -17.399 130 HD1 TYR 21 HD2 TYR 21 -0.078 -1.403 -19.128 131 HD2 TYR 21 HD1 TYR 21 0.158 -1.642 -14.887 132 HE1 TYR 21 HE2 TYR 21 -2.478 -0.888 -18.971 133 HE2 TYR 21 HE1 TYR 21 -2.241 -1.129 -14.719 134 HH TYR 21 HH TYR 21 -4.164 -0.338 -17.602 135 H ALA 22 H ALA 22 3.622 -1.240 -19.084 136 HA ALA 22 HA ALA 22 6.040 -2.731 -18.257 137 HB1 ALA 22 HB1 ALA 22 5.032 -2.814 -20.933 138 HB2 ALA 22 HB2 ALA 22 6.547 -1.879 -20.922 139 HB3 ALA 22 HB3 ALA 22 6.520 -3.536 -20.273 140 H CYS 23 H CYS 23 7.459 -1.374 -17.406 141 HA CYS 23 HA CYS 23 7.010 1.462 -17.449 142 HB2 CYS 23 HB2 CYS 23 8.341 -0.171 -15.784 143 HB3 CYS 23 HB3 CYS 23 9.716 0.383 -16.761 144 H ASN 24 H ASN 24 6.985 2.236 -19.543 145 HA ASN 24 HA ASN 24 9.126 1.677 -21.405 146 HB2 ASN 24 HB2 ASN 24 6.634 2.551 -21.758 147 HB3 ASN 24 HB3 ASN 24 7.425 4.140 -21.657 148 HD21 ASN 24 HD21 ASN 24 6.303 3.886 -23.915 149 HD22 ASN 24 HD22 ASN 24 7.431 3.388 -25.224 150 H SER 25 H SER 25 11.145 2.255 -20.899 151 HA SER 25 HA SER 25 11.842 4.482 -19.274 152 HB2 SER 25 HB2 SER 25 13.306 2.495 -19.824 153 HB3 SER 25 HB3 SER 25 13.571 3.212 -21.432 154 HG SER 25 HG SER 25 15.236 3.761 -19.924 155 H ARG 26 H ARG 26 10.869 4.288 -22.574 156 HA ARG 26 HA ARG 26 12.221 6.429 -23.763 157 HB2 ARG 26 HB2 ARG 26 10.556 4.854 -24.838 158 HB3 ARG 26 HB3 ARG 26 9.264 5.838 -24.123 159 HG2 ARG 26 HG2 ARG 26 9.415 6.702 -26.257 160 HG3 ARG 26 HG3 ARG 26 10.454 7.815 -25.334 161 HD2 ARG 26 HD2 ARG 26 12.423 6.860 -26.171 162 HD3 ARG 26 HD3 ARG 26 11.591 5.375 -26.692 163 HE ARG 26 HE ARG 26 11.131 6.381 -28.707 164 HH11 ARG 26 HH11 ARG 26 11.830 8.851 -26.283 165 HH12 ARG 26 HH12 ARG 26 11.770 10.181 -27.443 166 HH21 ARG 26 HH21 ARG 26 11.056 8.104 -30.201 167 HH22 ARG 26 HH22 ARG 26 11.333 9.760 -29.652 168 H ASP 27 H ASP 27 9.024 6.603 -22.126 169 HA ASP 27 HA ASP 27 9.604 9.499 -21.642 170 HB2 ASP 27 HB2 ASP 27 7.526 8.569 -23.070 171 HB3 ASP 27 HB3 ASP 27 6.811 8.443 -21.447 172 H LYS 28 H LYS 28 10.076 6.814 -20.101 173 HA LYS 28 HA LYS 28 9.992 6.101 -17.916 174 HB2 LYS 28 HB2 LYS 28 10.027 9.110 -17.648 175 HB3 LYS 28 HB3 LYS 28 9.954 8.078 -16.207 176 HG2 LYS 28 HG2 LYS 28 12.099 7.396 -16.416 177 HG3 LYS 28 HG3 LYS 28 12.039 7.389 -18.197 178 HD2 LYS 28 HD2 LYS 28 12.166 9.849 -18.201 179 HD3 LYS 28 HD3 LYS 28 12.244 9.844 -16.422 180 HE2 LYS 28 HE2 LYS 28 14.481 10.008 -16.997 181 HE3 LYS 28 HE3 LYS 28 14.283 8.250 -16.789 182 HZ1 LYS 28 HZ1 LYS 28 13.676 8.976 -19.454 183 HZ2 LYS 28 HZ2 LYS 28 14.889 7.944 -18.885 184 HZ3 LYS 28 HZ3 LYS 28 15.194 9.601 -19.042 185 H TRP 29 H TRP 29 7.672 5.517 -18.896 186 HA TRP 29 HA TRP 29 5.817 6.149 -16.680 187 HB2 TRP 29 HB2 TRP 29 3.996 6.815 -18.088 188 HB3 TRP 29 HB3 TRP 29 5.396 7.806 -18.553 189 HD1 TRP 29 HD1 TRP 29 6.864 5.987 -20.588 190 HE1 TRP 29 HE1 TRP 29 5.805 5.350 -22.872 191 HE3 TRP 29 HE3 TRP 29 1.958 6.789 -19.389 192 HZ2 TRP 29 HZ2 TRP 29 3.196 5.228 -23.960 193 HZ3 TRP 29 HZ3 TRP 29 0.244 6.390 -21.107 194 HH2 TRP 29 HH2 TRP 29 0.851 5.626 -23.346 195 H CYS 30 H CYS 30 3.549 4.933 -17.538 196 HA CYS 30 HA CYS 30 4.500 2.137 -18.014 197 HB2 CYS 30 HB2 CYS 30 2.218 3.260 -16.370 198 HB3 CYS 30 HB3 CYS 30 2.238 1.563 -16.893 199 H LYS 31 H LYS 31 3.321 0.769 -19.374 200 HA LYS 31 HA LYS 31 1.036 1.874 -20.851 201 HB2 LYS 31 HB2 LYS 31 2.142 1.456 -23.076 202 HB3 LYS 31 HB3 LYS 31 2.792 2.840 -22.174 203 HG2 LYS 31 HG2 LYS 31 4.800 1.800 -21.748 204 HG3 LYS 31 HG3 LYS 31 4.107 0.165 -21.885 205 HD2 LYS 31 HD2 LYS 31 4.116 1.922 -24.309 206 HD3 LYS 31 HD3 LYS 31 5.652 1.189 -23.785 207 HE2 LYS 31 HE2 LYS 31 4.897 -0.474 -25.163 208 HE3 LYS 31 HE3 LYS 31 4.135 -0.990 -23.639 209 HZ1 LYS 31 HZ1 LYS 31 2.870 -0.449 -26.031 210 HZ2 LYS 31 HZ2 LYS 31 2.482 0.863 -25.034 211 HZ3 LYS 31 HZ3 LYS 31 2.135 -0.715 -24.530 212 H VAL 32 H VAL 32 -0.094 0.311 -22.096 213 HA VAL 32 HA VAL 32 -0.044 -2.306 -20.936 214 HB VAL 32 HB VAL 32 -1.352 -1.383 -23.521 215 HG11 VAL 32 HG11 VAL 32 -1.146 -3.821 -23.396 216 HG12 VAL 32 HG12 VAL 32 -1.901 -3.810 -21.784 217 HG13 VAL 32 HG13 VAL 32 -2.841 -3.311 -23.211 218 HG21 VAL 32 HG21 VAL 32 -3.289 -0.889 -22.263 219 HG22 VAL 32 HG22 VAL 32 -2.656 -1.705 -20.812 220 HG23 VAL 32 HG23 VAL 32 -1.941 -0.166 -21.351 221 H LEU 33 H LEU 33 1.310 -3.919 -21.282 222 HA LEU 33 HA LEU 33 3.373 -3.918 -23.178 223 HB2 LEU 33 HB2 LEU 33 1.951 -6.137 -21.711 224 HB3 LEU 33 HB3 LEU 33 3.284 -6.479 -22.837 225 HG LEU 33 HG LEU 33 3.684 -4.523 -20.588 226 HD11 LEU 33 HD11 LEU 33 4.665 -7.059 -19.790 227 HD12 LEU 33 HD12 LEU 33 2.958 -7.276 -20.246 228 HD13 LEU 33 HD13 LEU 33 3.404 -6.068 -19.018 229 HD21 LEU 33 HD21 LEU 33 5.442 -6.400 -22.186 230 HD22 LEU 33 HD22 LEU 33 5.999 -5.504 -20.754 231 HD23 LEU 33 HD23 LEU 33 5.446 -4.620 -22.197 232 H LEU 34 H LEU 34 3.719 -4.830 -25.186 233 HA LEU 34 HA LEU 34 1.537 -4.751 -27.002 234 HB2 LEU 34 HB2 LEU 34 4.142 -6.252 -27.380 235 HB3 LEU 34 HB3 LEU 34 3.073 -5.603 -28.645 236 HG LEU 34 HG LEU 34 4.321 -3.718 -26.673 237 HD11 LEU 34 HD11 LEU 34 5.732 -4.716 -29.158 238 HD12 LEU 34 HD12 LEU 34 6.124 -5.247 -27.505 239 HD13 LEU 34 HD13 LEU 34 6.329 -3.539 -27.964 240 HD21 LEU 34 HD21 LEU 34 4.355 -2.323 -28.808 241 HD22 LEU 34 HD22 LEU 34 2.757 -2.711 -28.127 242 HD23 LEU 34 HD23 LEU 34 3.365 -3.611 -29.538 Start of MODEL 2 1 H1 ALA 1 H ALA 1 2.249 -4.578 -0.166 2 HA ALA 1 HA ALA 1 3.489 -3.620 -1.646 3 HB1 ALA 1 HB1 ALA 1 3.773 -4.734 -3.969 4 HB2 ALA 1 HB2 ALA 1 4.444 -5.550 -2.536 5 HB3 ALA 1 HB3 ALA 1 2.907 -6.109 -3.240 6 H GLU 2 H GLU 2 3.358 -2.332 -3.663 7 HA GLU 2 HA GLU 2 0.568 -2.058 -4.665 8 HB2 GLU 2 HB2 GLU 2 0.884 -0.425 -2.821 9 HB3 GLU 2 HB3 GLU 2 2.278 0.256 -3.682 10 HG2 GLU 2 HG2 GLU 2 0.978 1.263 -5.289 11 HG3 GLU 2 HG3 GLU 2 -0.364 0.114 -5.078 12 H CYS 3 H CYS 3 0.359 -1.197 -6.736 13 HA CYS 3 HA CYS 3 2.949 -0.841 -8.192 14 HB2 CYS 3 HB2 CYS 3 1.721 -1.862 -10.184 15 HB3 CYS 3 HB3 CYS 3 2.152 -2.979 -8.872 16 H LYS 4 H LYS 4 2.222 -0.032 -10.595 17 HA LYS 4 HA LYS 4 0.541 2.385 -10.053 18 HB2 LYS 4 HB2 LYS 4 2.834 2.082 -12.030 19 HB3 LYS 4 HB3 LYS 4 1.896 3.558 -11.731 20 HG2 LYS 4 HG2 LYS 4 3.266 2.279 -9.409 21 HG3 LYS 4 HG3 LYS 4 4.262 3.135 -10.612 22 HD2 LYS 4 HD2 LYS 4 3.785 4.882 -9.213 23 HD3 LYS 4 HD3 LYS 4 2.374 4.989 -10.295 24 HE2 LYS 4 HE2 LYS 4 0.937 4.046 -8.723 25 HE3 LYS 4 HE3 LYS 4 2.268 3.287 -7.817 26 HZ1 LYS 4 HZ1 LYS 4 1.999 6.233 -7.975 27 HZ2 LYS 4 HZ2 LYS 4 2.842 5.307 -6.840 28 HZ3 LYS 4 HZ3 LYS 4 1.152 5.338 -6.817 29 H GLY 5 H GLY 5 -0.552 3.314 -11.969 30 HA2 GLY 5 HA2 GLY 5 -1.621 1.065 -13.619 31 HA3 GLY 5 HA3 GLY 5 -2.449 2.598 -13.289 32 H PHE 6 H PHE 6 -2.830 2.604 -15.617 33 HA PHE 6 HA PHE 6 -0.467 3.063 -17.309 34 HB2 PHE 6 HB2 PHE 6 -2.262 1.778 -18.281 35 HB3 PHE 6 HB3 PHE 6 -3.453 3.034 -17.880 36 HD1 PHE 6 HD2 PHE 6 -0.544 2.239 -20.027 37 HD2 PHE 6 HD1 PHE 6 -3.822 4.859 -19.320 38 HE1 PHE 6 HE2 PHE 6 -0.193 3.269 -22.234 39 HE2 PHE 6 HE1 PHE 6 -3.478 5.894 -21.525 40 HZ PHE 6 HZ PHE 6 -1.660 5.099 -22.985 41 H GLY 7 H GLY 7 0.289 4.967 -18.028 42 HA2 GLY 7 HA2 GLY 7 0.137 7.272 -18.593 43 HA3 GLY 7 HA3 GLY 7 -1.412 7.376 -17.736 44 H LYS 8 H LYS 8 0.932 5.713 -15.933 45 HA LYS 8 HA LYS 8 1.284 8.131 -14.233 46 HB2 LYS 8 HB2 LYS 8 1.780 5.191 -13.628 47 HB3 LYS 8 HB3 LYS 8 1.955 6.527 -12.473 48 HG2 LYS 8 HG2 LYS 8 -0.649 5.942 -13.883 49 HG3 LYS 8 HG3 LYS 8 -0.185 5.160 -12.351 50 HD2 LYS 8 HD2 LYS 8 -1.268 6.940 -11.454 51 HD3 LYS 8 HD3 LYS 8 0.301 7.739 -11.717 52 HE2 LYS 8 HE2 LYS 8 -1.106 9.266 -12.697 53 HE3 LYS 8 HE3 LYS 8 -0.725 8.236 -14.099 54 HZ1 LYS 8 HZ1 LYS 8 -2.815 7.443 -14.186 55 HZ2 LYS 8 HZ2 LYS 8 -3.205 8.867 -13.361 56 HZ3 LYS 8 HZ3 LYS 8 -3.022 7.419 -12.507 57 H SER 9 H SER 9 3.359 8.540 -13.224 58 HA SER 9 HA SER 9 5.544 7.992 -15.158 59 HB2 SER 9 HB2 SER 9 5.114 10.046 -12.975 60 HB3 SER 9 HB3 SER 9 6.734 9.753 -13.652 61 HG SER 9 HG SER 9 5.602 11.445 -14.749 62 H CYS 10 H CYS 10 6.906 6.392 -14.798 63 HA CYS 10 HA CYS 10 7.655 5.813 -11.968 64 HB2 CYS 10 HB2 CYS 10 7.491 3.444 -12.312 65 HB3 CYS 10 HB3 CYS 10 5.953 4.158 -12.839 66 H VAL 11 H VAL 11 9.618 4.285 -11.917 67 HA VAL 11 HA VAL 11 11.610 5.462 -13.767 68 HB VAL 11 HB VAL 11 12.010 3.714 -11.313 69 HG11 VAL 11 HG11 VAL 11 13.844 3.593 -12.979 70 HG12 VAL 11 HG12 VAL 11 14.018 5.364 -12.878 71 HG13 VAL 11 HG13 VAL 11 14.345 4.353 -11.450 72 HG21 VAL 11 HG21 VAL 11 11.405 5.588 -10.226 73 HG22 VAL 11 HG22 VAL 11 13.002 6.203 -10.715 74 HG23 VAL 11 HG23 VAL 11 11.561 6.600 -11.681 75 HA PRO 12 HA PRO 12 11.723 1.804 -16.265 76 HB2 PRO 12 HB2 PRO 12 14.046 2.361 -17.580 77 HB3 PRO 12 HB3 PRO 12 12.505 3.182 -17.941 78 HG2 PRO 12 HG2 PRO 12 14.823 4.117 -16.262 79 HG3 PRO 12 HG3 PRO 12 13.846 5.027 -17.455 80 HD2 PRO 12 HD2 PRO 12 13.448 5.228 -14.772 81 HD3 PRO 12 HD3 PRO 12 12.117 5.381 -15.962 82 H GLY 13 H GLY 13 12.299 -0.176 -15.664 83 HA2 GLY 13 HA2 GLY 13 14.153 -1.766 -15.394 84 HA3 GLY 13 HA3 GLY 13 15.047 -0.512 -14.515 85 H LYS 14 H LYS 14 12.344 0.185 -13.189 86 HA LYS 14 HA LYS 14 12.679 -1.820 -11.022 87 HB2 LYS 14 HB2 LYS 14 11.625 0.991 -11.185 88 HB3 LYS 14 HB3 LYS 14 11.053 -0.065 -9.879 89 HG2 LYS 14 HG2 LYS 14 13.079 -0.111 -8.829 90 HG3 LYS 14 HG3 LYS 14 13.994 0.110 -10.342 91 HD2 LYS 14 HD2 LYS 14 14.159 2.098 -8.926 92 HD3 LYS 14 HD3 LYS 14 13.274 2.463 -10.427 93 HE2 LYS 14 HE2 LYS 14 11.155 2.331 -9.261 94 HE3 LYS 14 HE3 LYS 14 11.970 1.806 -7.768 95 HZ1 LYS 14 HZ1 LYS 14 12.994 4.284 -8.818 96 HZ2 LYS 14 HZ2 LYS 14 12.488 3.901 -7.251 97 HZ3 LYS 14 HZ3 LYS 14 11.354 4.371 -8.414 98 H ASN 15 H ASN 15 10.749 -2.594 -9.872 99 HA ASN 15 HA ASN 15 8.651 -3.277 -11.862 100 HB2 ASN 15 HB2 ASN 15 7.981 -4.976 -10.098 101 HB3 ASN 15 HB3 ASN 15 9.603 -5.199 -10.791 102 HD21 ASN 15 HD21 ASN 15 7.787 -5.003 -7.987 103 HD22 ASN 15 HD22 ASN 15 9.135 -4.766 -6.820 104 H GLU 16 H GLU 16 7.883 -0.985 -11.633 105 HA GLU 16 HA GLU 16 6.269 -0.618 -9.154 106 HB2 GLU 16 HB2 GLU 16 6.862 1.390 -11.357 107 HB3 GLU 16 HB3 GLU 16 6.103 1.722 -9.787 108 HG2 GLU 16 HG2 GLU 16 8.903 0.624 -10.062 109 HG3 GLU 16 HG3 GLU 16 8.536 2.365 -10.021 110 H CYS 17 H CYS 17 6.036 -0.426 -12.721 111 HA CYS 17 HA CYS 17 3.301 0.130 -12.936 112 HB2 CYS 17 HB2 CYS 17 5.211 -1.462 -14.655 113 HB3 CYS 17 HB3 CYS 17 3.499 -1.307 -15.104 114 H CYS 18 H CYS 18 1.428 -1.122 -13.222 115 HA CYS 18 HA CYS 18 1.305 -3.416 -11.462 116 HB2 CYS 18 HB2 CYS 18 -0.589 -1.785 -13.069 117 HB3 CYS 18 HB3 CYS 18 -1.077 -3.472 -12.796 118 H SER 19 H SER 19 -0.109 -5.368 -12.353 119 HA SER 19 HA SER 19 1.634 -6.799 -14.112 120 HB2 SER 19 HB2 SER 19 -0.226 -7.562 -12.324 121 HB3 SER 19 HB3 SER 19 -1.205 -7.699 -13.804 122 HG SER 19 HG SER 19 -0.082 -9.655 -13.292 123 H GLY 20 H GLY 20 1.685 -7.085 -16.256 124 HA2 GLY 20 HA2 GLY 20 0.692 -7.227 -18.426 125 HA3 GLY 20 HA3 GLY 20 -0.708 -6.307 -17.838 126 H TYR 21 H TYR 21 1.341 -4.415 -16.518 127 HA TYR 21 HA TYR 21 1.633 -2.736 -18.948 128 HB2 TYR 21 HB2 TYR 21 1.859 -2.074 -15.988 129 HB3 TYR 21 HB3 TYR 21 2.075 -0.901 -17.306 130 HD1 TYR 21 HD2 TYR 21 0.036 -0.886 -19.043 131 HD2 TYR 21 HD1 TYR 21 -0.215 -2.169 -14.994 132 HE1 TYR 21 HE2 TYR 21 -2.386 -0.458 -19.064 133 HE2 TYR 21 HE1 TYR 21 -2.638 -1.745 -15.003 134 HH TYR 21 HH TYR 21 -4.279 -0.498 -17.924 135 H ALA 22 H ALA 22 3.604 -1.287 -19.006 136 HA ALA 22 HA ALA 22 6.014 -2.653 -17.929 137 HB1 ALA 22 HB1 ALA 22 6.659 -1.820 -20.567 138 HB2 ALA 22 HB2 ALA 22 6.632 -3.471 -19.902 139 HB3 ALA 22 HB3 ALA 22 5.170 -2.791 -20.660 140 H CYS 23 H CYS 23 7.757 -1.331 -17.534 141 HA CYS 23 HA CYS 23 7.108 1.525 -17.396 142 HB2 CYS 23 HB2 CYS 23 9.037 -0.318 -16.176 143 HB3 CYS 23 HB3 CYS 23 9.779 1.225 -16.644 144 H ASN 24 H ASN 24 7.060 2.359 -19.446 145 HA ASN 24 HA ASN 24 9.154 1.812 -21.371 146 HB2 ASN 24 HB2 ASN 24 6.639 2.722 -21.619 147 HB3 ASN 24 HB3 ASN 24 7.481 4.287 -21.592 148 HD21 ASN 24 HD21 ASN 24 6.214 3.937 -23.795 149 HD22 ASN 24 HD22 ASN 24 7.287 3.405 -25.136 150 H SER 25 H SER 25 11.181 2.367 -20.835 151 HA SER 25 HA SER 25 11.902 4.593 -19.231 152 HB2 SER 25 HB2 SER 25 13.323 2.558 -19.892 153 HB3 SER 25 HB3 SER 25 13.653 3.418 -21.415 154 HG SER 25 HG SER 25 15.265 3.807 -19.803 155 H ARG 26 H ARG 26 10.935 4.393 -22.543 156 HA ARG 26 HA ARG 26 12.269 6.554 -23.714 157 HB2 ARG 26 HB2 ARG 26 10.737 5.044 -24.920 158 HB3 ARG 26 HB3 ARG 26 9.354 5.759 -24.068 159 HG2 ARG 26 HG2 ARG 26 9.326 6.810 -26.142 160 HG3 ARG 26 HG3 ARG 26 10.145 7.992 -25.090 161 HD2 ARG 26 HD2 ARG 26 11.790 5.974 -26.576 162 HD3 ARG 26 HD3 ARG 26 11.119 7.362 -27.464 163 HE ARG 26 HE ARG 26 13.301 7.378 -25.536 164 HH11 ARG 26 HH11 ARG 26 10.721 9.261 -27.040 165 HH12 ARG 26 HH12 ARG 26 11.517 10.812 -26.748 166 HH21 ARG 26 HH21 ARG 26 14.323 9.382 -25.164 167 HH22 ARG 26 HH22 ARG 26 13.549 10.879 -25.692 168 H ASP 27 H ASP 27 9.058 6.681 -22.100 169 HA ASP 27 HA ASP 27 9.583 9.587 -21.623 170 HB2 ASP 27 HB2 ASP 27 7.524 8.630 -23.037 171 HB3 ASP 27 HB3 ASP 27 6.819 8.444 -21.417 172 H LYS 28 H LYS 28 10.097 6.898 -20.075 173 HA LYS 28 HA LYS 28 10.041 6.195 -17.886 174 HB2 LYS 28 HB2 LYS 28 10.114 9.200 -17.669 175 HB3 LYS 28 HB3 LYS 28 9.978 8.217 -16.199 176 HG2 LYS 28 HG2 LYS 28 12.097 7.387 -16.382 177 HG3 LYS 28 HG3 LYS 28 12.106 7.499 -18.160 178 HD2 LYS 28 HD2 LYS 28 12.063 10.068 -17.756 179 HD3 LYS 28 HD3 LYS 28 12.595 9.651 -16.108 180 HE2 LYS 28 HE2 LYS 28 14.556 8.540 -16.962 181 HE3 LYS 28 HE3 LYS 28 13.988 8.728 -18.639 182 HZ1 LYS 28 HZ1 LYS 28 15.113 10.628 -18.677 183 HZ2 LYS 28 HZ2 LYS 28 15.454 10.553 -17.021 184 HZ3 LYS 28 HZ3 LYS 28 14.020 11.271 -17.557 185 H TRP 29 H TRP 29 7.710 5.601 -18.837 186 HA TRP 29 HA TRP 29 5.884 6.225 -16.599 187 HB2 TRP 29 HB2 TRP 29 4.045 6.910 -17.973 188 HB3 TRP 29 HB3 TRP 29 5.442 7.897 -18.457 189 HD1 TRP 29 HD1 TRP 29 6.864 6.051 -20.516 190 HE1 TRP 29 HE1 TRP 29 5.765 5.442 -22.788 191 HE3 TRP 29 HE3 TRP 29 1.990 6.941 -19.253 192 HZ2 TRP 29 HZ2 TRP 29 3.141 5.372 -23.843 193 HZ3 TRP 29 HZ3 TRP 29 0.246 6.580 -20.951 194 HH2 TRP 29 HH2 TRP 29 0.812 5.812 -23.199 195 H CYS 30 H CYS 30 3.597 5.025 -17.467 196 HA CYS 30 HA CYS 30 4.539 2.219 -17.875 197 HB2 CYS 30 HB2 CYS 30 2.021 3.307 -16.560 198 HB3 CYS 30 HB3 CYS 30 2.356 1.582 -16.820 199 H LYS 31 H LYS 31 3.328 0.797 -19.208 200 HA LYS 31 HA LYS 31 1.228 1.930 -20.911 201 HB2 LYS 31 HB2 LYS 31 2.511 1.287 -23.022 202 HB3 LYS 31 HB3 LYS 31 3.044 2.763 -22.193 203 HG2 LYS 31 HG2 LYS 31 4.966 1.701 -21.315 204 HG3 LYS 31 HG3 LYS 31 4.358 0.083 -21.744 205 HD2 LYS 31 HD2 LYS 31 4.751 2.110 -23.917 206 HD3 LYS 31 HD3 LYS 31 6.177 1.296 -23.227 207 HE2 LYS 31 HE2 LYS 31 5.673 -0.168 -24.914 208 HE3 LYS 31 HE3 LYS 31 4.685 -0.863 -23.606 209 HZ1 LYS 31 HZ1 LYS 31 2.783 -0.273 -24.623 210 HZ2 LYS 31 HZ2 LYS 31 3.733 -0.253 -26.022 211 HZ3 LYS 31 HZ3 LYS 31 3.392 1.192 -25.209 212 H VAL 32 H VAL 32 0.284 0.324 -22.370 213 HA VAL 32 HA VAL 32 0.051 -2.225 -21.030 214 HB VAL 32 HB VAL 32 -0.941 -1.402 -23.782 215 HG11 VAL 32 HG11 VAL 32 -1.303 -3.634 -23.907 216 HG12 VAL 32 HG12 VAL 32 -1.216 -3.859 -22.142 217 HG13 VAL 32 HG13 VAL 32 -2.710 -3.244 -22.891 218 HG21 VAL 32 HG21 VAL 32 -1.683 -0.453 -21.230 219 HG22 VAL 32 HG22 VAL 32 -2.520 -0.192 -22.779 220 HG23 VAL 32 HG23 VAL 32 -2.973 -1.567 -21.744 221 H LEU 33 H LEU 33 1.411 -3.867 -21.142 222 HA LEU 33 HA LEU 33 3.630 -4.035 -22.837 223 HB2 LEU 33 HB2 LEU 33 2.023 -6.098 -21.345 224 HB3 LEU 33 HB3 LEU 33 3.397 -6.583 -22.363 225 HG LEU 33 HG LEU 33 3.725 -4.522 -20.187 226 HD11 LEU 33 HD11 LEU 33 3.717 -6.025 -18.526 227 HD12 LEU 33 HD12 LEU 33 4.533 -7.261 -19.515 228 HD13 LEU 33 HD13 LEU 33 2.772 -7.042 -19.643 229 HD21 LEU 33 HD21 LEU 33 6.043 -5.592 -20.221 230 HD22 LEU 33 HD22 LEU 33 5.585 -4.612 -21.634 231 HD23 LEU 33 HD23 LEU 33 5.532 -6.390 -21.728 232 H LEU 34 H LEU 34 4.140 -5.162 -24.719 233 HA LEU 34 HA LEU 34 1.993 -5.233 -26.666 234 HB2 LEU 34 HB2 LEU 34 4.884 -6.134 -26.790 235 HB3 LEU 34 HB3 LEU 34 3.779 -6.107 -28.183 236 HG LEU 34 HG LEU 34 3.535 -3.567 -27.568 237 HD11 LEU 34 HD11 LEU 34 4.706 -3.390 -25.551 238 HD12 LEU 34 HD12 LEU 34 5.840 -2.756 -26.768 239 HD13 LEU 34 HD13 LEU 34 6.050 -4.404 -26.133 240 HD21 LEU 34 HD21 LEU 34 4.721 -3.256 -29.438 241 HD22 LEU 34 HD22 LEU 34 4.989 -5.017 -29.424 242 HD23 LEU 34 HD23 LEU 34 6.202 -3.927 -28.711 Start of MODEL 3 1 H1 ALA 1 H ALA 1 3.263 -3.622 -0.737 2 HA ALA 1 HA ALA 1 2.173 -4.806 -2.643 3 HB1 ALA 1 HB1 ALA 1 1.582 -4.807 -0.137 4 HB2 ALA 1 HB2 ALA 1 0.253 -3.713 -0.591 5 HB3 ALA 1 HB3 ALA 1 0.339 -5.347 -1.291 6 H GLU 2 H GLU 2 2.522 -2.059 -3.616 7 HA GLU 2 HA GLU 2 -0.154 -1.809 -4.904 8 HB2 GLU 2 HB2 GLU 2 1.427 0.342 -3.501 9 HB3 GLU 2 HB3 GLU 2 0.369 0.758 -4.863 10 HG2 GLU 2 HG2 GLU 2 -1.560 -0.079 -3.711 11 HG3 GLU 2 HG3 GLU 2 -0.551 -0.742 -2.403 12 H CYS 3 H CYS 3 -0.151 -0.905 -7.003 13 HA CYS 3 HA CYS 3 2.568 -0.720 -8.233 14 HB2 CYS 3 HB2 CYS 3 1.545 -1.797 -10.283 15 HB3 CYS 3 HB3 CYS 3 1.723 -2.871 -8.880 16 H LYS 4 H LYS 4 2.340 0.203 -10.566 17 HA LYS 4 HA LYS 4 0.688 2.663 -10.279 18 HB2 LYS 4 HB2 LYS 4 3.040 2.032 -12.101 19 HB3 LYS 4 HB3 LYS 4 2.168 3.578 -12.061 20 HG2 LYS 4 HG2 LYS 4 3.282 2.555 -9.493 21 HG3 LYS 4 HG3 LYS 4 4.425 3.169 -10.713 22 HD2 LYS 4 HD2 LYS 4 3.961 5.106 -9.558 23 HD3 LYS 4 HD3 LYS 4 2.713 5.180 -10.825 24 HE2 LYS 4 HE2 LYS 4 1.010 4.561 -9.362 25 HE3 LYS 4 HE3 LYS 4 2.140 3.834 -8.196 26 HZ1 LYS 4 HZ1 LYS 4 1.391 5.864 -7.275 27 HZ2 LYS 4 HZ2 LYS 4 1.666 6.724 -8.705 28 HZ3 LYS 4 HZ3 LYS 4 2.974 6.151 -7.797 29 H GLY 5 H GLY 5 -0.793 3.314 -11.787 30 HA2 GLY 5 HA2 GLY 5 -1.738 1.169 -13.581 31 HA3 GLY 5 HA3 GLY 5 -2.566 2.695 -13.219 32 H PHE 6 H PHE 6 -2.957 2.556 -15.596 33 HA PHE 6 HA PHE 6 -0.650 3.085 -17.314 34 HB2 PHE 6 HB2 PHE 6 -2.477 1.816 -18.248 35 HB3 PHE 6 HB3 PHE 6 -3.648 3.080 -17.813 36 HD1 PHE 6 HD2 PHE 6 -0.829 2.240 -20.050 37 HD2 PHE 6 HD1 PHE 6 -4.006 4.946 -19.219 38 HE1 PHE 6 HE2 PHE 6 -0.520 3.274 -22.260 39 HE2 PHE 6 HE1 PHE 6 -3.704 5.986 -21.429 40 HZ PHE 6 HZ PHE 6 -1.959 5.148 -22.954 41 H GLY 7 H GLY 7 0.245 4.989 -17.714 42 HA2 GLY 7 HA2 GLY 7 0.032 7.306 -18.386 43 HA3 GLY 7 HA3 GLY 7 -1.483 7.414 -17.469 44 H LYS 8 H LYS 8 0.907 5.690 -15.784 45 HA LYS 8 HA LYS 8 1.353 8.073 -14.059 46 HB2 LYS 8 HB2 LYS 8 1.755 5.103 -13.548 47 HB3 LYS 8 HB3 LYS 8 2.127 6.385 -12.379 48 HG2 LYS 8 HG2 LYS 8 -0.625 6.201 -13.559 49 HG3 LYS 8 HG3 LYS 8 -0.138 5.097 -12.249 50 HD2 LYS 8 HD2 LYS 8 -1.012 6.835 -11.021 51 HD3 LYS 8 HD3 LYS 8 0.694 7.336 -11.118 52 HE2 LYS 8 HE2 LYS 8 0.257 9.025 -12.620 53 HE3 LYS 8 HE3 LYS 8 -1.190 8.219 -13.271 54 HZ1 LYS 8 HZ1 LYS 8 -2.419 8.822 -11.336 55 HZ2 LYS 8 HZ2 LYS 8 -1.657 10.222 -11.902 56 HZ3 LYS 8 HZ3 LYS 8 -1.043 9.412 -10.549 57 H SER 9 H SER 9 3.439 8.563 -13.224 58 HA SER 9 HA SER 9 5.559 7.927 -15.197 59 HB2 SER 9 HB2 SER 9 6.753 9.820 -14.282 60 HB3 SER 9 HB3 SER 9 5.058 10.308 -14.526 61 HG SER 9 HG SER 9 5.807 9.233 -12.027 62 H CYS 10 H CYS 10 6.909 6.317 -14.834 63 HA CYS 10 HA CYS 10 7.733 5.817 -12.005 64 HB2 CYS 10 HB2 CYS 10 7.618 3.435 -12.331 65 HB3 CYS 10 HB3 CYS 10 6.055 4.118 -12.827 66 H VAL 11 H VAL 11 9.724 4.327 -11.954 67 HA VAL 11 HA VAL 11 11.673 5.513 -13.848 68 HB VAL 11 HB VAL 11 12.136 3.827 -11.362 69 HG11 VAL 11 HG11 VAL 11 13.954 3.709 -13.045 70 HG12 VAL 11 HG12 VAL 11 14.092 5.483 -12.985 71 HG13 VAL 11 HG13 VAL 11 14.456 4.512 -11.538 72 HG21 VAL 11 HG21 VAL 11 11.124 5.920 -10.741 73 HG22 VAL 11 HG22 VAL 11 12.861 6.007 -10.368 74 HG23 VAL 11 HG23 VAL 11 12.221 6.825 -11.813 75 HA PRO 12 HA PRO 12 11.836 1.803 -16.268 76 HB2 PRO 12 HB2 PRO 12 14.134 2.380 -17.621 77 HB3 PRO 12 HB3 PRO 12 12.571 3.159 -17.981 78 HG2 PRO 12 HG2 PRO 12 14.886 4.182 -16.350 79 HG3 PRO 12 HG3 PRO 12 13.878 5.044 -17.552 80 HD2 PRO 12 HD2 PRO 12 13.505 5.296 -14.868 81 HD3 PRO 12 HD3 PRO 12 12.159 5.394 -16.046 82 H GLY 13 H GLY 13 12.503 -0.165 -15.716 83 HA2 GLY 13 HA2 GLY 13 14.407 -1.685 -15.419 84 HA3 GLY 13 HA3 GLY 13 15.243 -0.401 -14.526 85 H LYS 14 H LYS 14 12.541 0.219 -13.202 86 HA LYS 14 HA LYS 14 12.943 -1.731 -11.014 87 HB2 LYS 14 HB2 LYS 14 11.580 0.943 -11.281 88 HB3 LYS 14 HB3 LYS 14 11.156 -0.131 -9.933 89 HG2 LYS 14 HG2 LYS 14 12.803 1.151 -8.980 90 HG3 LYS 14 HG3 LYS 14 13.752 -0.233 -9.579 91 HD2 LYS 14 HD2 LYS 14 14.067 1.180 -11.720 92 HD3 LYS 14 HD3 LYS 14 13.519 2.551 -10.723 93 HE2 LYS 14 HE2 LYS 14 15.916 2.505 -10.669 94 HE3 LYS 14 HE3 LYS 14 15.319 1.973 -9.077 95 HZ1 LYS 14 HZ1 LYS 14 16.461 0.108 -9.321 96 HZ2 LYS 14 HZ2 LYS 14 17.032 0.612 -10.830 97 HZ3 LYS 14 HZ3 LYS 14 15.601 -0.283 -10.724 98 H ASN 15 H ASN 15 10.697 -2.104 -9.764 99 HA ASN 15 HA ASN 15 8.813 -3.162 -11.834 100 HB2 ASN 15 HB2 ASN 15 8.285 -4.952 -10.095 101 HB3 ASN 15 HB3 ASN 15 9.889 -5.055 -10.854 102 HD21 ASN 15 HD21 ASN 15 8.198 -5.124 -7.988 103 HD22 ASN 15 HD22 ASN 15 9.564 -4.812 -6.862 104 H GLU 16 H GLU 16 7.909 -0.922 -11.504 105 HA GLU 16 HA GLU 16 6.253 -0.809 -9.022 106 HB2 GLU 16 HB2 GLU 16 6.857 1.389 -11.036 107 HB3 GLU 16 HB3 GLU 16 5.977 1.575 -9.507 108 HG2 GLU 16 HG2 GLU 16 8.793 0.524 -9.535 109 HG3 GLU 16 HG3 GLU 16 8.466 2.270 -9.635 110 H CYS 17 H CYS 17 6.147 -0.659 -12.567 111 HA CYS 17 HA CYS 17 3.435 -0.028 -12.921 112 HB2 CYS 17 HB2 CYS 17 5.437 -1.635 -14.492 113 HB3 CYS 17 HB3 CYS 17 3.735 -1.633 -15.006 114 H CYS 18 H CYS 18 1.570 -1.304 -13.364 115 HA CYS 18 HA CYS 18 1.330 -3.539 -11.506 116 HB2 CYS 18 HB2 CYS 18 -0.411 -1.650 -12.562 117 HB3 CYS 18 HB3 CYS 18 -0.894 -3.147 -13.389 118 H SER 19 H SER 19 -0.355 -5.318 -12.620 119 HA SER 19 HA SER 19 1.457 -6.890 -14.241 120 HB2 SER 19 HB2 SER 19 -0.485 -7.567 -12.521 121 HB3 SER 19 HB3 SER 19 -1.440 -7.627 -14.022 122 HG SER 19 HG SER 19 -0.449 -9.655 -13.513 123 H GLY 20 H GLY 20 1.620 -7.085 -16.381 124 HA2 GLY 20 HA2 GLY 20 0.720 -7.181 -18.594 125 HA3 GLY 20 HA3 GLY 20 -0.694 -6.256 -18.054 126 H TYR 21 H TYR 21 1.260 -4.386 -16.610 127 HA TYR 21 HA TYR 21 1.660 -2.655 -18.977 128 HB2 TYR 21 HB2 TYR 21 1.902 -2.094 -15.995 129 HB3 TYR 21 HB3 TYR 21 2.111 -0.883 -17.278 130 HD1 TYR 21 HD2 TYR 21 -0.049 -1.368 -19.110 131 HD2 TYR 21 HD1 TYR 21 -0.058 -1.643 -14.865 132 HE1 TYR 21 HE2 TYR 21 -2.469 -0.925 -19.092 133 HE2 TYR 21 HE1 TYR 21 -2.477 -1.203 -14.834 134 HH TYR 21 HH TYR 21 -4.248 -0.439 -17.822 135 H ALA 22 H ALA 22 3.665 -1.217 -18.916 136 HA ALA 22 HA ALA 22 6.040 -2.640 -17.860 137 HB1 ALA 22 HB1 ALA 22 5.233 -2.663 -20.651 138 HB2 ALA 22 HB2 ALA 22 6.838 -1.922 -20.435 139 HB3 ALA 22 HB3 ALA 22 6.528 -3.567 -19.828 140 H CYS 23 H CYS 23 7.766 -1.335 -17.411 141 HA CYS 23 HA CYS 23 7.173 1.524 -17.317 142 HB2 CYS 23 HB2 CYS 23 9.131 -0.334 -16.136 143 HB3 CYS 23 HB3 CYS 23 9.821 1.248 -16.558 144 H ASN 24 H ASN 24 7.088 2.262 -19.428 145 HA ASN 24 HA ASN 24 9.206 1.719 -21.321 146 HB2 ASN 24 HB2 ASN 24 6.668 2.606 -21.577 147 HB3 ASN 24 HB3 ASN 24 7.519 4.164 -21.636 148 HD21 ASN 24 HD21 ASN 24 6.747 4.357 -23.796 149 HD22 ASN 24 HD22 ASN 24 7.599 3.497 -25.123 150 H SER 25 H SER 25 11.222 2.344 -20.865 151 HA SER 25 HA SER 25 11.912 4.596 -19.276 152 HB2 SER 25 HB2 SER 25 14.144 4.126 -19.836 153 HB3 SER 25 HB3 SER 25 13.341 2.550 -20.042 154 HG SER 25 HG SER 25 14.718 3.090 -21.820 155 H ARG 26 H ARG 26 10.875 4.359 -22.557 156 HA ARG 26 HA ARG 26 12.148 6.527 -23.782 157 HB2 ARG 26 HB2 ARG 26 10.474 4.885 -24.786 158 HB3 ARG 26 HB3 ARG 26 9.195 5.903 -24.096 159 HG2 ARG 26 HG2 ARG 26 10.312 7.834 -25.378 160 HG3 ARG 26 HG3 ARG 26 11.164 6.554 -26.278 161 HD2 ARG 26 HD2 ARG 26 9.250 7.045 -27.564 162 HD3 ARG 26 HD3 ARG 26 8.861 5.537 -26.702 163 HE ARG 26 HE ARG 26 7.936 7.634 -25.085 164 HH11 ARG 26 HH11 ARG 26 7.361 6.355 -28.326 165 HH12 ARG 26 HH12 ARG 26 5.672 6.874 -28.362 166 HH21 ARG 26 HH21 ARG 26 5.755 8.299 -25.139 167 HH22 ARG 26 HH22 ARG 26 4.767 7.970 -26.566 168 H ASP 27 H ASP 27 8.979 6.626 -22.086 169 HA ASP 27 HA ASP 27 9.492 9.540 -21.627 170 HB2 ASP 27 HB2 ASP 27 7.389 8.486 -22.983 171 HB3 ASP 27 HB3 ASP 27 6.727 8.471 -21.334 172 H LYS 28 H LYS 28 10.041 6.860 -20.085 173 HA LYS 28 HA LYS 28 10.011 6.155 -17.896 174 HB2 LYS 28 HB2 LYS 28 10.042 9.162 -17.665 175 HB3 LYS 28 HB3 LYS 28 9.960 8.162 -16.201 176 HG2 LYS 28 HG2 LYS 28 12.097 7.430 -16.411 177 HG3 LYS 28 HG3 LYS 28 12.050 7.453 -18.190 178 HD2 LYS 28 HD2 LYS 28 12.037 9.998 -18.007 179 HD3 LYS 28 HD3 LYS 28 12.445 9.774 -16.289 180 HE2 LYS 28 HE2 LYS 28 14.485 8.633 -16.856 181 HE3 LYS 28 HE3 LYS 28 14.043 8.597 -18.580 182 HZ1 LYS 28 HZ1 LYS 28 14.947 10.878 -16.941 183 HZ2 LYS 28 HZ2 LYS 28 13.994 11.156 -18.310 184 HZ3 LYS 28 HZ3 LYS 28 15.486 10.371 -18.463 185 H TRP 29 H TRP 29 7.679 5.539 -18.825 186 HA TRP 29 HA TRP 29 5.869 6.130 -16.566 187 HB2 TRP 29 HB2 TRP 29 4.011 6.819 -17.912 188 HB3 TRP 29 HB3 TRP 29 5.396 7.826 -18.391 189 HD1 TRP 29 HD1 TRP 29 6.814 6.014 -20.489 190 HE1 TRP 29 HE1 TRP 29 5.700 5.440 -22.764 191 HE3 TRP 29 HE3 TRP 29 1.947 6.876 -19.179 192 HZ2 TRP 29 HZ2 TRP 29 3.070 5.383 -23.802 193 HZ3 TRP 29 HZ3 TRP 29 0.192 6.539 -20.872 194 HH2 TRP 29 HH2 TRP 29 0.744 5.808 -23.136 195 H CYS 30 H CYS 30 3.589 4.919 -17.369 196 HA CYS 30 HA CYS 30 4.540 2.132 -17.878 197 HB2 CYS 30 HB2 CYS 30 2.108 3.197 -16.397 198 HB3 CYS 30 HB3 CYS 30 2.356 1.479 -16.774 199 H LYS 31 H LYS 31 3.360 0.750 -19.243 200 HA LYS 31 HA LYS 31 1.137 1.863 -20.798 201 HB2 LYS 31 HB2 LYS 31 2.305 1.442 -22.991 202 HB3 LYS 31 HB3 LYS 31 2.929 2.827 -22.071 203 HG2 LYS 31 HG2 LYS 31 4.899 1.715 -21.493 204 HG3 LYS 31 HG3 LYS 31 4.213 0.112 -21.858 205 HD2 LYS 31 HD2 LYS 31 4.349 2.078 -24.094 206 HD3 LYS 31 HD3 LYS 31 5.890 1.397 -23.515 207 HE2 LYS 31 HE2 LYS 31 4.955 -0.881 -23.807 208 HE3 LYS 31 HE3 LYS 31 3.463 -0.160 -24.460 209 HZ1 LYS 31 HZ1 LYS 31 4.947 0.916 -26.172 210 HZ2 LYS 31 HZ2 LYS 31 4.775 -0.762 -26.303 211 HZ3 LYS 31 HZ3 LYS 31 6.187 -0.106 -25.643 212 H VAL 32 H VAL 32 0.071 0.296 -22.118 213 HA VAL 32 HA VAL 32 0.058 -2.316 -20.941 214 HB VAL 32 HB VAL 32 -1.100 -1.506 -23.629 215 HG11 VAL 32 HG11 VAL 32 -1.288 -3.903 -21.895 216 HG12 VAL 32 HG12 VAL 32 -2.821 -3.310 -22.581 217 HG13 VAL 32 HG13 VAL 32 -1.468 -3.740 -23.657 218 HG21 VAL 32 HG21 VAL 32 -1.739 -0.572 -20.994 219 HG22 VAL 32 HG22 VAL 32 -2.518 -0.174 -22.543 220 HG23 VAL 32 HG23 VAL 32 -3.085 -1.570 -21.596 221 H LEU 33 H LEU 33 1.530 -3.847 -21.169 222 HA LEU 33 HA LEU 33 3.612 -3.862 -23.043 223 HB2 LEU 33 HB2 LEU 33 2.273 -6.008 -21.417 224 HB3 LEU 33 HB3 LEU 33 3.548 -6.434 -22.581 225 HG LEU 33 HG LEU 33 4.072 -4.324 -20.508 226 HD11 LEU 33 HD11 LEU 33 3.063 -6.354 -19.393 227 HD12 LEU 33 HD12 LEU 33 4.714 -5.927 -18.878 228 HD13 LEU 33 HD13 LEU 33 4.456 -7.281 -20.004 229 HD21 LEU 33 HD21 LEU 33 5.833 -4.477 -22.015 230 HD22 LEU 33 HD22 LEU 33 5.660 -6.238 -22.199 231 HD23 LEU 33 HD23 LEU 33 6.353 -5.562 -20.704 232 H LEU 34 H LEU 34 4.010 -4.833 -25.006 233 HA LEU 34 HA LEU 34 1.817 -4.967 -26.818 234 HB2 LEU 34 HB2 LEU 34 4.413 -4.664 -27.163 235 HB3 LEU 34 HB3 LEU 34 4.380 -6.432 -27.353 236 HG LEU 34 HG LEU 34 2.636 -4.596 -29.006 237 HD11 LEU 34 HD11 LEU 34 4.472 -5.122 -30.778 238 HD12 LEU 34 HD12 LEU 34 5.521 -5.358 -29.359 239 HD13 LEU 34 HD13 LEU 34 4.719 -3.791 -29.620 240 HD21 LEU 34 HD21 LEU 34 1.793 -6.652 -29.436 241 HD22 LEU 34 HD22 LEU 34 3.268 -7.490 -28.899 242 HD23 LEU 34 HD23 LEU 34 3.199 -6.762 -30.523 Start of MODEL 4 1 H1 ALA 1 H ALA 1 3.118 -3.251 0.336 2 HA ALA 1 HA ALA 1 3.805 -2.575 -1.831 3 HB1 ALA 1 HB1 ALA 1 3.206 -5.171 -2.726 4 HB2 ALA 1 HB2 ALA 1 4.663 -4.630 -1.858 5 HB3 ALA 1 HB3 ALA 1 3.276 -5.277 -0.950 6 H GLU 2 H GLU 2 2.656 -1.164 -3.073 7 HA GLU 2 HA GLU 2 0.339 -2.331 -4.562 8 HB2 GLU 2 HB2 GLU 2 -0.243 0.118 -4.989 9 HB3 GLU 2 HB3 GLU 2 -0.444 -0.466 -3.325 10 HG2 GLU 2 HG2 GLU 2 2.140 0.824 -4.104 11 HG3 GLU 2 HG3 GLU 2 0.707 1.843 -3.838 12 H CYS 3 H CYS 3 0.008 -1.251 -6.765 13 HA CYS 3 HA CYS 3 2.682 -0.970 -8.079 14 HB2 CYS 3 HB2 CYS 3 1.545 -1.992 -10.111 15 HB3 CYS 3 HB3 CYS 3 1.816 -3.095 -8.745 16 H LYS 4 H LYS 4 2.376 -0.008 -10.387 17 HA LYS 4 HA LYS 4 0.766 2.467 -9.998 18 HB2 LYS 4 HB2 LYS 4 2.978 1.859 -11.996 19 HB3 LYS 4 HB3 LYS 4 2.185 3.429 -11.762 20 HG2 LYS 4 HG2 LYS 4 3.459 2.156 -9.386 21 HG3 LYS 4 HG3 LYS 4 4.523 2.829 -10.648 22 HD2 LYS 4 HD2 LYS 4 4.256 4.735 -9.446 23 HD3 LYS 4 HD3 LYS 4 2.757 4.858 -10.400 24 HE2 LYS 4 HE2 LYS 4 1.914 5.165 -8.289 25 HE3 LYS 4 HE3 LYS 4 1.782 3.394 -8.423 26 HZ1 LYS 4 HZ1 LYS 4 3.796 4.985 -6.939 27 HZ2 LYS 4 HZ2 LYS 4 4.077 3.369 -7.349 28 HZ3 LYS 4 HZ3 LYS 4 2.769 3.773 -6.356 29 H GLY 5 H GLY 5 -0.214 3.440 -11.985 30 HA2 GLY 5 HA2 GLY 5 -1.452 1.232 -13.593 31 HA3 GLY 5 HA3 GLY 5 -2.272 2.743 -13.158 32 H PHE 6 H PHE 6 -2.685 2.625 -15.558 33 HA PHE 6 HA PHE 6 -0.416 3.246 -17.284 34 HB2 PHE 6 HB2 PHE 6 -2.270 2.006 -18.219 35 HB3 PHE 6 HB3 PHE 6 -3.423 3.272 -17.739 36 HD1 PHE 6 HD2 PHE 6 -0.801 2.321 -20.119 37 HD2 PHE 6 HD1 PHE 6 -3.615 5.311 -19.004 38 HE1 PHE 6 HE2 PHE 6 -0.508 3.407 -22.307 39 HE2 PHE 6 HE1 PHE 6 -3.328 6.403 -21.190 40 HZ PHE 6 HZ PHE 6 -1.772 5.451 -22.846 41 H GLY 7 H GLY 7 0.075 5.184 -18.303 42 HA2 GLY 7 HA2 GLY 7 0.037 7.496 -18.633 43 HA3 GLY 7 HA3 GLY 7 -1.512 7.575 -17.773 44 H LYS 8 H LYS 8 0.840 5.879 -16.008 45 HA LYS 8 HA LYS 8 1.211 8.277 -14.278 46 HB2 LYS 8 HB2 LYS 8 1.615 5.323 -13.674 47 HB3 LYS 8 HB3 LYS 8 1.813 6.650 -12.514 48 HG2 LYS 8 HG2 LYS 8 -0.788 6.146 -13.960 49 HG3 LYS 8 HG3 LYS 8 -0.368 5.341 -12.428 50 HD2 LYS 8 HD2 LYS 8 -1.405 7.145 -11.526 51 HD3 LYS 8 HD3 LYS 8 0.187 7.904 -11.775 52 HE2 LYS 8 HE2 LYS 8 -1.206 9.467 -12.741 53 HE3 LYS 8 HE3 LYS 8 -0.785 8.463 -14.149 54 HZ1 LYS 8 HZ1 LYS 8 -3.336 8.873 -12.888 55 HZ2 LYS 8 HZ2 LYS 8 -2.983 7.235 -13.115 56 HZ3 LYS 8 HZ3 LYS 8 -2.976 8.292 -14.435 57 H SER 9 H SER 9 3.285 8.625 -13.243 58 HA SER 9 HA SER 9 5.468 8.082 -15.166 59 HB2 SER 9 HB2 SER 9 6.653 9.863 -14.109 60 HB3 SER 9 HB3 SER 9 4.958 10.400 -14.202 61 HG SER 9 HG SER 9 5.899 10.780 -12.125 62 H CYS 10 H CYS 10 7.154 6.773 -14.815 63 HA CYS 10 HA CYS 10 7.734 5.868 -12.064 64 HB2 CYS 10 HB2 CYS 10 7.537 3.523 -12.540 65 HB3 CYS 10 HB3 CYS 10 6.009 4.287 -13.024 66 H VAL 11 H VAL 11 9.680 4.333 -12.089 67 HA VAL 11 HA VAL 11 11.643 5.500 -14.002 68 HB VAL 11 HB VAL 11 12.121 3.981 -11.414 69 HG11 VAL 11 HG11 VAL 11 13.936 3.765 -13.090 70 HG12 VAL 11 HG12 VAL 11 14.063 5.540 -13.143 71 HG13 VAL 11 HG13 VAL 11 14.436 4.666 -11.638 72 HG21 VAL 11 HG21 VAL 11 12.162 6.941 -12.062 73 HG22 VAL 11 HG22 VAL 11 11.107 6.094 -10.906 74 HG23 VAL 11 HG23 VAL 11 12.850 6.236 -10.579 75 HA PRO 12 HA PRO 12 11.823 1.645 -16.180 76 HB2 PRO 12 HB2 PRO 12 14.114 2.147 -17.572 77 HB3 PRO 12 HB3 PRO 12 12.547 2.893 -17.978 78 HG2 PRO 12 HG2 PRO 12 14.859 4.030 -16.420 79 HG3 PRO 12 HG3 PRO 12 13.844 4.809 -17.673 80 HD2 PRO 12 HD2 PRO 12 13.474 5.228 -15.010 81 HD3 PRO 12 HD3 PRO 12 12.124 5.245 -16.189 82 H GLY 13 H GLY 13 12.535 -0.294 -15.566 83 HA2 GLY 13 HA2 GLY 13 14.462 -1.758 -15.170 84 HA3 GLY 13 HA3 GLY 13 15.256 -0.421 -14.319 85 H LYS 14 H LYS 14 12.511 0.191 -13.076 86 HA LYS 14 HA LYS 14 12.922 -1.637 -10.789 87 HB2 LYS 14 HB2 LYS 14 11.442 0.958 -11.216 88 HB3 LYS 14 HB3 LYS 14 11.072 -0.060 -9.810 89 HG2 LYS 14 HG2 LYS 14 13.349 0.100 -9.028 90 HG3 LYS 14 HG3 LYS 14 13.830 0.980 -10.500 91 HD2 LYS 14 HD2 LYS 14 11.938 2.648 -9.762 92 HD3 LYS 14 HD3 LYS 14 12.189 1.907 -8.162 93 HE2 LYS 14 HE2 LYS 14 14.503 2.541 -8.154 94 HE3 LYS 14 HE3 LYS 14 14.419 3.066 -9.853 95 HZ1 LYS 14 HZ1 LYS 14 14.294 5.019 -8.605 96 HZ2 LYS 14 HZ2 LYS 14 13.234 4.360 -7.464 97 HZ3 LYS 14 HZ3 LYS 14 12.683 4.714 -9.024 98 H ASN 15 H ASN 15 10.681 -2.060 -9.570 99 HA ASN 15 HA ASN 15 8.830 -3.205 -11.622 100 HB2 ASN 15 HB2 ASN 15 9.676 -4.449 -8.975 101 HB3 ASN 15 HB3 ASN 15 8.458 -5.117 -10.084 102 HD21 ASN 15 HD21 ASN 15 10.809 -6.429 -9.174 103 HD22 ASN 15 HD22 ASN 15 11.834 -6.729 -10.622 104 H GLU 16 H GLU 16 7.779 -1.065 -11.259 105 HA GLU 16 HA GLU 16 6.149 -1.121 -8.750 106 HB2 GLU 16 HB2 GLU 16 6.786 1.235 -10.565 107 HB3 GLU 16 HB3 GLU 16 5.830 1.297 -9.073 108 HG2 GLU 16 HG2 GLU 16 8.032 0.246 -8.039 109 HG3 GLU 16 HG3 GLU 16 8.777 1.026 -9.453 110 H CYS 17 H CYS 17 6.096 -0.634 -12.272 111 HA CYS 17 HA CYS 17 3.385 -0.028 -12.623 112 HB2 CYS 17 HB2 CYS 17 5.379 -1.565 -14.297 113 HB3 CYS 17 HB3 CYS 17 3.699 -1.368 -14.840 114 H CYS 18 H CYS 18 1.526 -1.252 -13.119 115 HA CYS 18 HA CYS 18 1.239 -3.594 -11.450 116 HB2 CYS 18 HB2 CYS 18 -0.479 -1.829 -13.040 117 HB3 CYS 18 HB3 CYS 18 -0.980 -3.531 -13.141 118 H SER 19 H SER 19 -0.163 -5.478 -12.578 119 HA SER 19 HA SER 19 1.766 -6.804 -14.298 120 HB2 SER 19 HB2 SER 19 -0.195 -7.640 -12.524 121 HB3 SER 19 HB3 SER 19 -0.900 -8.046 -14.108 122 HG SER 19 HG SER 19 0.417 -9.745 -13.254 123 H GLY 20 H GLY 20 1.749 -7.148 -16.447 124 HA2 GLY 20 HA2 GLY 20 0.673 -7.334 -18.580 125 HA3 GLY 20 HA3 GLY 20 -0.709 -6.414 -17.955 126 H TYR 21 H TYR 21 1.378 -4.502 -16.724 127 HA TYR 21 HA TYR 21 1.562 -2.834 -19.170 128 HB2 TYR 21 HB2 TYR 21 1.959 -2.162 -16.230 129 HB3 TYR 21 HB3 TYR 21 2.081 -0.996 -17.564 130 HD1 TYR 21 HD2 TYR 21 -0.112 -1.265 -19.230 131 HD2 TYR 21 HD1 TYR 21 0.001 -2.004 -15.042 132 HE1 TYR 21 HE2 TYR 21 -2.533 -0.854 -19.098 133 HE2 TYR 21 HE1 TYR 21 -2.420 -1.596 -14.898 134 HH TYR 21 HH TYR 21 -4.324 -0.755 -17.803 135 H ALA 22 H ALA 22 3.542 -1.340 -19.241 136 HA ALA 22 HA ALA 22 5.997 -2.732 -18.323 137 HB1 ALA 22 HB1 ALA 22 6.305 -1.822 -21.071 138 HB2 ALA 22 HB2 ALA 22 6.698 -3.395 -20.336 139 HB3 ALA 22 HB3 ALA 22 5.047 -3.073 -20.919 140 H CYS 23 H CYS 23 7.420 -1.343 -17.522 141 HA CYS 23 HA CYS 23 6.877 1.488 -17.581 142 HB2 CYS 23 HB2 CYS 23 8.168 -0.030 -15.834 143 HB3 CYS 23 HB3 CYS 23 9.577 0.394 -16.830 144 H ASN 24 H ASN 24 6.926 2.389 -19.583 145 HA ASN 24 HA ASN 24 9.043 1.797 -21.477 146 HB2 ASN 24 HB2 ASN 24 6.566 2.734 -21.803 147 HB3 ASN 24 HB3 ASN 24 7.397 4.301 -21.683 148 HD21 ASN 24 HD21 ASN 24 7.267 5.008 -23.720 149 HD22 ASN 24 HD22 ASN 24 7.979 4.144 -25.127 150 H SER 25 H SER 25 11.071 2.314 -20.923 151 HA SER 25 HA SER 25 11.813 4.495 -19.266 152 HB2 SER 25 HB2 SER 25 14.033 3.937 -19.772 153 HB3 SER 25 HB3 SER 25 13.172 2.406 -20.066 154 HG SER 25 HG SER 25 14.627 2.953 -21.777 155 H ARG 26 H ARG 26 10.878 4.376 -22.590 156 HA ARG 26 HA ARG 26 12.266 6.534 -23.706 157 HB2 ARG 26 HB2 ARG 26 10.401 4.910 -24.655 158 HB3 ARG 26 HB3 ARG 26 9.319 6.253 -24.234 159 HG2 ARG 26 HG2 ARG 26 11.780 6.833 -25.832 160 HG3 ARG 26 HG3 ARG 26 10.391 6.055 -26.629 161 HD2 ARG 26 HD2 ARG 26 10.052 8.531 -24.940 162 HD3 ARG 26 HD3 ARG 26 10.549 8.637 -26.646 163 HE ARG 26 HE ARG 26 8.333 7.028 -26.753 164 HH11 ARG 26 HH11 ARG 26 9.021 10.174 -25.307 165 HH12 ARG 26 HH12 ARG 26 7.366 10.761 -25.500 166 HH21 ARG 26 HH21 ARG 26 6.199 7.790 -26.998 167 HH22 ARG 26 HH22 ARG 26 5.774 9.416 -26.453 168 H ASP 27 H ASP 27 9.040 6.691 -22.127 169 HA ASP 27 HA ASP 27 9.605 9.582 -21.603 170 HB2 ASP 27 HB2 ASP 27 7.550 8.714 -23.040 171 HB3 ASP 27 HB3 ASP 27 6.836 8.426 -21.438 172 H LYS 28 H LYS 28 10.084 6.863 -20.092 173 HA LYS 28 HA LYS 28 10.024 6.134 -17.910 174 HB2 LYS 28 HB2 LYS 28 10.137 9.135 -17.648 175 HB3 LYS 28 HB3 LYS 28 10.009 8.126 -16.195 176 HG2 LYS 28 HG2 LYS 28 12.116 7.276 -16.424 177 HG3 LYS 28 HG3 LYS 28 12.107 7.433 -18.198 178 HD2 LYS 28 HD2 LYS 28 12.369 9.853 -18.007 179 HD3 LYS 28 HD3 LYS 28 12.305 9.736 -16.230 180 HE2 LYS 28 HE2 LYS 28 14.375 8.303 -17.913 181 HE3 LYS 28 HE3 LYS 28 14.617 9.944 -17.267 182 HZ1 LYS 28 HZ1 LYS 28 14.231 9.020 -15.026 183 HZ2 LYS 28 HZ2 LYS 28 15.587 8.346 -15.783 184 HZ3 LYS 28 HZ3 LYS 28 14.145 7.464 -15.687 185 H TRP 29 H TRP 29 7.682 5.588 -18.860 186 HA TRP 29 HA TRP 29 5.871 6.220 -16.610 187 HB2 TRP 29 HB2 TRP 29 4.040 6.940 -17.974 188 HB3 TRP 29 HB3 TRP 29 5.449 7.910 -18.456 189 HD1 TRP 29 HD1 TRP 29 6.841 6.069 -20.534 190 HE1 TRP 29 HE1 TRP 29 5.728 5.487 -22.806 191 HE3 TRP 29 HE3 TRP 29 1.981 6.996 -19.246 192 HZ2 TRP 29 HZ2 TRP 29 3.100 5.449 -23.852 193 HZ3 TRP 29 HZ3 TRP 29 0.228 6.664 -20.940 194 HH2 TRP 29 HH2 TRP 29 0.777 5.907 -23.196 195 H CYS 30 H CYS 30 3.570 5.052 -17.449 196 HA CYS 30 HA CYS 30 4.471 2.243 -17.922 197 HB2 CYS 30 HB2 CYS 30 2.066 3.375 -16.450 198 HB3 CYS 30 HB3 CYS 30 2.250 1.651 -16.840 199 H LYS 31 H LYS 31 3.220 0.862 -19.250 200 HA LYS 31 HA LYS 31 1.062 2.034 -20.851 201 HB2 LYS 31 HB2 LYS 31 2.246 1.490 -23.023 202 HB3 LYS 31 HB3 LYS 31 2.873 2.900 -22.147 203 HG2 LYS 31 HG2 LYS 31 4.829 1.814 -21.532 204 HG3 LYS 31 HG3 LYS 31 4.122 0.196 -21.755 205 HD2 LYS 31 HD2 LYS 31 5.717 0.697 -23.538 206 HD3 LYS 31 HD3 LYS 31 4.064 0.567 -24.191 207 HE2 LYS 31 HE2 LYS 31 3.860 2.947 -24.351 208 HE3 LYS 31 HE3 LYS 31 5.372 3.195 -23.445 209 HZ1 LYS 31 HZ1 LYS 31 5.868 3.513 -25.718 210 HZ2 LYS 31 HZ2 LYS 31 5.056 2.109 -26.192 211 HZ3 LYS 31 HZ3 LYS 31 6.502 1.995 -25.322 212 H VAL 32 H VAL 32 0.169 0.442 -22.430 213 HA VAL 32 HA VAL 32 -0.066 -2.131 -21.107 214 HB VAL 32 HB VAL 32 -1.101 -1.284 -23.835 215 HG11 VAL 32 HG11 VAL 32 -1.821 -3.572 -21.983 216 HG12 VAL 32 HG12 VAL 32 -2.802 -3.074 -23.383 217 HG13 VAL 32 HG13 VAL 32 -1.143 -3.673 -23.624 218 HG21 VAL 32 HG21 VAL 32 -2.436 -1.165 -21.112 219 HG22 VAL 32 HG22 VAL 32 -1.883 0.227 -22.072 220 HG23 VAL 32 HG23 VAL 32 -3.211 -0.793 -22.671 221 H LEU 33 H LEU 33 1.137 -3.879 -21.366 222 HA LEU 33 HA LEU 33 3.415 -4.001 -22.989 223 HB2 LEU 33 HB2 LEU 33 1.661 -6.090 -21.723 224 HB3 LEU 33 HB3 LEU 33 3.020 -6.575 -22.764 225 HG LEU 33 HG LEU 33 3.434 -4.736 -20.409 226 HD11 LEU 33 HD11 LEU 33 3.669 -6.496 -18.918 227 HD12 LEU 33 HD12 LEU 33 3.816 -7.710 -20.212 228 HD13 LEU 33 HD13 LEU 33 2.232 -6.978 -19.854 229 HD21 LEU 33 HD21 LEU 33 5.193 -5.024 -22.170 230 HD22 LEU 33 HD22 LEU 33 5.261 -6.750 -21.744 231 HD23 LEU 33 HD23 LEU 33 5.698 -5.518 -20.536 232 H LEU 34 H LEU 34 3.887 -4.536 -25.038 233 HA LEU 34 HA LEU 34 1.565 -5.011 -26.828 234 HB2 LEU 34 HB2 LEU 34 4.449 -4.262 -27.394 235 HB3 LEU 34 HB3 LEU 34 3.205 -4.513 -28.639 236 HG LEU 34 HG LEU 34 2.867 -2.439 -26.474 237 HD11 LEU 34 HD11 LEU 34 3.651 -1.077 -28.755 238 HD12 LEU 34 HD12 LEU 34 4.790 -2.443 -28.670 239 HD13 LEU 34 HD13 LEU 34 4.628 -1.335 -27.288 240 HD21 LEU 34 HD21 LEU 34 1.142 -1.647 -27.743 241 HD22 LEU 34 HD22 LEU 34 1.071 -3.363 -28.210 242 HD23 LEU 34 HD23 LEU 34 1.873 -2.184 -29.275 Start of MODEL 5 1 H1 ALA 1 H ALA 1 2.424 -5.616 -1.815 2 HA ALA 1 HA ALA 1 1.800 -3.330 -1.730 3 HB1 ALA 1 HB1 ALA 1 4.224 -4.366 -2.356 4 HB2 ALA 1 HB2 ALA 1 3.979 -3.266 -3.734 5 HB3 ALA 1 HB3 ALA 1 3.924 -2.636 -2.069 6 H GLU 2 H GLU 2 1.046 -1.482 -2.682 7 HA GLU 2 HA GLU 2 -0.630 -1.726 -4.926 8 HB2 GLU 2 HB2 GLU 2 -0.677 0.747 -4.948 9 HB3 GLU 2 HB3 GLU 2 -0.842 0.091 -3.308 10 HG2 GLU 2 HG2 GLU 2 1.891 0.811 -4.262 11 HG3 GLU 2 HG3 GLU 2 0.762 2.126 -3.862 12 H CYS 3 H CYS 3 -0.516 -0.825 -7.057 13 HA CYS 3 HA CYS 3 2.290 -0.632 -8.078 14 HB2 CYS 3 HB2 CYS 3 1.362 -1.679 -10.209 15 HB3 CYS 3 HB3 CYS 3 1.503 -2.761 -8.807 16 H LYS 4 H LYS 4 2.142 0.209 -10.504 17 HA LYS 4 HA LYS 4 0.626 2.761 -10.289 18 HB2 LYS 4 HB2 LYS 4 2.915 1.955 -12.123 19 HB3 LYS 4 HB3 LYS 4 2.152 3.556 -12.075 20 HG2 LYS 4 HG2 LYS 4 3.250 2.455 -9.529 21 HG3 LYS 4 HG3 LYS 4 4.396 3.017 -10.769 22 HD2 LYS 4 HD2 LYS 4 4.052 4.948 -9.539 23 HD3 LYS 4 HD3 LYS 4 2.849 5.130 -10.838 24 HE2 LYS 4 HE2 LYS 4 1.068 4.684 -9.438 25 HE3 LYS 4 HE3 LYS 4 2.060 3.743 -8.299 26 HZ1 LYS 4 HZ1 LYS 4 2.880 5.658 -7.316 27 HZ2 LYS 4 HZ2 LYS 4 1.268 6.073 -7.613 28 HZ3 LYS 4 HZ3 LYS 4 2.492 6.651 -8.630 29 H GLY 5 H GLY 5 -0.735 3.514 -11.895 30 HA2 GLY 5 HA2 GLY 5 -1.763 1.351 -13.665 31 HA3 GLY 5 HA3 GLY 5 -2.612 2.848 -13.232 32 H PHE 6 H PHE 6 -2.976 2.627 -15.667 33 HA PHE 6 HA PHE 6 -0.737 3.296 -17.385 34 HB2 PHE 6 HB2 PHE 6 -2.603 2.081 -18.319 35 HB3 PHE 6 HB3 PHE 6 -3.748 3.344 -17.812 36 HD1 PHE 6 HD2 PHE 6 -1.127 2.436 -20.218 37 HD2 PHE 6 HD1 PHE 6 -3.977 5.379 -19.066 38 HE1 PHE 6 HE2 PHE 6 -0.854 3.545 -22.396 39 HE2 PHE 6 HE1 PHE 6 -3.710 6.494 -21.243 40 HZ PHE 6 HZ PHE 6 -2.148 5.577 -22.912 41 H GLY 7 H GLY 7 0.175 5.203 -17.716 42 HA2 GLY 7 HA2 GLY 7 0.007 7.544 -18.280 43 HA3 GLY 7 HA3 GLY 7 -1.521 7.635 -17.383 44 H LYS 8 H LYS 8 0.820 5.825 -15.724 45 HA LYS 8 HA LYS 8 1.292 8.156 -13.929 46 HB2 LYS 8 HB2 LYS 8 1.373 5.157 -13.508 47 HB3 LYS 8 HB3 LYS 8 2.066 6.289 -12.332 48 HG2 LYS 8 HG2 LYS 8 -0.760 6.670 -13.252 49 HG3 LYS 8 HG3 LYS 8 -0.382 5.408 -12.054 50 HD2 LYS 8 HD2 LYS 8 -0.795 7.172 -10.647 51 HD3 LYS 8 HD3 LYS 8 0.952 7.397 -10.909 52 HE2 LYS 8 HE2 LYS 8 0.646 9.217 -12.301 53 HE3 LYS 8 HE3 LYS 8 -0.996 8.717 -12.770 54 HZ1 LYS 8 HZ1 LYS 8 -1.778 10.089 -11.236 55 HZ2 LYS 8 HZ2 LYS 8 -0.217 10.503 -10.733 56 HZ3 LYS 8 HZ3 LYS 8 -1.015 9.191 -10.019 57 H SER 9 H SER 9 3.350 8.657 -13.139 58 HA SER 9 HA SER 9 5.488 8.005 -15.049 59 HB2 SER 9 HB2 SER 9 6.806 9.665 -13.723 60 HB3 SER 9 HB3 SER 9 5.258 10.318 -14.310 61 HG SER 9 HG SER 9 5.265 9.105 -11.777 62 H CYS 10 H CYS 10 7.185 6.694 -14.739 63 HA CYS 10 HA CYS 10 7.806 5.761 -12.005 64 HB2 CYS 10 HB2 CYS 10 7.598 3.422 -12.505 65 HB3 CYS 10 HB3 CYS 10 6.063 4.194 -12.961 66 H VAL 11 H VAL 11 9.755 4.241 -12.063 67 HA VAL 11 HA VAL 11 11.690 5.421 -13.994 68 HB VAL 11 HB VAL 11 12.202 3.871 -11.430 69 HG11 VAL 11 HG11 VAL 11 14.515 4.559 -11.679 70 HG12 VAL 11 HG12 VAL 11 13.994 3.674 -13.136 71 HG13 VAL 11 HG13 VAL 11 14.122 5.450 -13.168 72 HG21 VAL 11 HG21 VAL 11 13.139 6.404 -11.019 73 HG22 VAL 11 HG22 VAL 11 11.694 6.720 -12.008 74 HG23 VAL 11 HG23 VAL 11 11.548 5.810 -10.485 75 HA PRO 12 HA PRO 12 11.838 1.592 -16.220 76 HB2 PRO 12 HB2 PRO 12 14.111 2.109 -17.638 77 HB3 PRO 12 HB3 PRO 12 12.537 2.861 -18.012 78 HG2 PRO 12 HG2 PRO 12 14.873 3.978 -16.473 79 HG3 PRO 12 HG3 PRO 12 13.841 4.772 -17.703 80 HD2 PRO 12 HD2 PRO 12 13.507 5.161 -15.031 81 HD3 PRO 12 HD3 PRO 12 12.142 5.192 -16.191 82 H GLY 13 H GLY 13 12.537 -0.347 -15.602 83 HA2 GLY 13 HA2 GLY 13 14.461 -1.829 -15.254 84 HA3 GLY 13 HA3 GLY 13 15.288 -0.498 -14.422 85 H LYS 14 H LYS 14 12.552 0.119 -13.132 86 HA LYS 14 HA LYS 14 12.977 -1.774 -10.883 87 HB2 LYS 14 HB2 LYS 14 11.652 0.930 -11.155 88 HB3 LYS 14 HB3 LYS 14 11.326 -0.106 -9.750 89 HG2 LYS 14 HG2 LYS 14 13.043 1.386 -9.105 90 HG3 LYS 14 HG3 LYS 14 13.825 -0.191 -9.378 91 HD2 LYS 14 HD2 LYS 14 14.842 0.505 -11.350 92 HD3 LYS 14 HD3 LYS 14 13.672 1.824 -11.605 93 HE2 LYS 14 HE2 LYS 14 15.724 2.840 -10.955 94 HE3 LYS 14 HE3 LYS 14 14.637 2.930 -9.548 95 HZ1 LYS 14 HZ1 LYS 14 15.936 0.571 -9.192 96 HZ2 LYS 14 HZ2 LYS 14 16.331 2.032 -8.435 97 HZ3 LYS 14 HZ3 LYS 14 17.149 1.557 -9.839 98 H ASN 15 H ASN 15 10.873 -2.258 -9.603 99 HA ASN 15 HA ASN 15 8.891 -3.250 -11.607 100 HB2 ASN 15 HB2 ASN 15 9.814 -4.333 -8.934 101 HB3 ASN 15 HB3 ASN 15 8.292 -4.866 -9.680 102 HD21 ASN 15 HD21 ASN 15 11.127 -6.009 -9.110 103 HD22 ASN 15 HD22 ASN 15 11.514 -6.845 -10.655 104 H GLU 16 H GLU 16 8.078 -0.947 -11.413 105 HA GLU 16 HA GLU 16 6.412 -0.619 -8.960 106 HB2 GLU 16 HB2 GLU 16 7.143 1.384 -11.130 107 HB3 GLU 16 HB3 GLU 16 6.165 1.733 -9.691 108 HG2 GLU 16 HG2 GLU 16 8.912 0.588 -9.354 109 HG3 GLU 16 HG3 GLU 16 8.722 2.309 -9.761 110 H CYS 17 H CYS 17 6.271 -0.461 -12.529 111 HA CYS 17 HA CYS 17 3.542 0.082 -12.830 112 HB2 CYS 17 HB2 CYS 17 5.522 -1.505 -14.463 113 HB3 CYS 17 HB3 CYS 17 3.818 -1.425 -14.959 114 H CYS 18 H CYS 18 1.723 -1.275 -13.349 115 HA CYS 18 HA CYS 18 1.500 -3.480 -11.465 116 HB2 CYS 18 HB2 CYS 18 -0.273 -1.706 -12.634 117 HB3 CYS 18 HB3 CYS 18 -0.633 -3.224 -13.485 118 H SER 19 H SER 19 -0.085 -5.338 -12.660 119 HA SER 19 HA SER 19 1.907 -6.815 -14.217 120 HB2 SER 19 HB2 SER 19 -0.036 -7.557 -12.420 121 HB3 SER 19 HB3 SER 19 -0.813 -7.962 -13.969 122 HG SER 19 HG SER 19 0.460 -9.700 -13.128 123 H GLY 20 H GLY 20 1.920 -7.254 -16.347 124 HA2 GLY 20 HA2 GLY 20 0.888 -7.520 -18.491 125 HA3 GLY 20 HA3 GLY 20 -0.504 -6.575 -17.930 126 H TYR 21 H TYR 21 1.300 -4.498 -16.759 127 HA TYR 21 HA TYR 21 1.579 -2.959 -19.245 128 HB2 TYR 21 HB2 TYR 21 2.032 -2.221 -16.329 129 HB3 TYR 21 HB3 TYR 21 2.156 -1.084 -17.689 130 HD1 TYR 21 HD2 TYR 21 -0.065 -1.385 -19.327 131 HD2 TYR 21 HD1 TYR 21 0.095 -1.990 -15.120 132 HE1 TYR 21 HE2 TYR 21 -2.479 -0.938 -19.178 133 HE2 TYR 21 HE1 TYR 21 -2.319 -1.547 -14.957 134 HH TYR 21 HH TYR 21 -4.205 -0.548 -17.802 135 H ALA 22 H ALA 22 3.592 -1.363 -19.170 136 HA ALA 22 HA ALA 22 6.046 -2.805 -18.374 137 HB1 ALA 22 HB1 ALA 22 5.035 -2.830 -21.074 138 HB2 ALA 22 HB2 ALA 22 6.588 -1.962 -21.008 139 HB3 ALA 22 HB3 ALA 22 6.475 -3.630 -20.396 140 H CYS 23 H CYS 23 7.413 -1.412 -17.501 141 HA CYS 23 HA CYS 23 6.899 1.413 -17.546 142 HB2 CYS 23 HB2 CYS 23 8.219 -0.146 -15.842 143 HB3 CYS 23 HB3 CYS 23 9.612 0.332 -16.836 144 H ASN 24 H ASN 24 6.912 2.300 -19.565 145 HA ASN 24 HA ASN 24 9.028 1.751 -21.467 146 HB2 ASN 24 HB2 ASN 24 6.565 2.618 -21.830 147 HB3 ASN 24 HB3 ASN 24 7.302 4.219 -21.597 148 HD21 ASN 24 HD21 ASN 24 6.253 4.140 -23.885 149 HD22 ASN 24 HD22 ASN 24 7.415 3.758 -25.205 150 H SER 25 H SER 25 11.057 2.294 -20.960 151 HA SER 25 HA SER 25 11.791 4.464 -19.279 152 HB2 SER 25 HB2 SER 25 13.242 2.499 -19.867 153 HB3 SER 25 HB3 SER 25 13.471 3.205 -21.484 154 HG SER 25 HG SER 25 15.179 3.749 -20.024 155 H ARG 26 H ARG 26 10.810 4.370 -22.585 156 HA ARG 26 HA ARG 26 12.171 6.540 -23.709 157 HB2 ARG 26 HB2 ARG 26 10.376 4.940 -24.711 158 HB3 ARG 26 HB3 ARG 26 9.206 6.148 -24.142 159 HG2 ARG 26 HG2 ARG 26 9.551 6.829 -26.311 160 HG3 ARG 26 HG3 ARG 26 10.740 7.828 -25.439 161 HD2 ARG 26 HD2 ARG 26 12.532 6.359 -26.050 162 HD3 ARG 26 HD3 ARG 26 11.396 5.156 -26.705 163 HE ARG 26 HE ARG 26 11.012 7.610 -28.087 164 HH11 ARG 26 HH11 ARG 26 13.405 5.046 -27.682 165 HH12 ARG 26 HH12 ARG 26 14.088 5.261 -29.299 166 HH21 ARG 26 HH21 ARG 26 11.897 7.883 -30.170 167 HH22 ARG 26 HH22 ARG 26 13.238 6.861 -30.701 168 H ASP 27 H ASP 27 8.978 6.672 -22.059 169 HA ASP 27 HA ASP 27 9.548 9.559 -21.519 170 HB2 ASP 27 HB2 ASP 27 7.459 8.666 -22.928 171 HB3 ASP 27 HB3 ASP 27 6.773 8.440 -21.303 172 H LYS 28 H LYS 28 10.054 6.831 -20.043 173 HA LYS 28 HA LYS 28 10.022 6.078 -17.870 174 HB2 LYS 28 HB2 LYS 28 10.119 9.077 -17.576 175 HB3 LYS 28 HB3 LYS 28 10.010 8.052 -16.132 176 HG2 LYS 28 HG2 LYS 28 12.130 7.276 -16.349 177 HG3 LYS 28 HG3 LYS 28 12.086 7.328 -18.129 178 HD2 LYS 28 HD2 LYS 28 12.097 9.889 -17.865 179 HD3 LYS 28 HD3 LYS 28 12.583 9.581 -16.180 180 HE2 LYS 28 HE2 LYS 28 14.588 8.502 -16.854 181 HE3 LYS 28 HE3 LYS 28 14.044 8.391 -18.546 182 HZ1 LYS 28 HZ1 LYS 28 14.917 10.803 -17.055 183 HZ2 LYS 28 HZ2 LYS 28 14.049 10.911 -18.504 184 HZ3 LYS 28 HZ3 LYS 28 15.564 10.157 -18.479 185 H TRP 29 H TRP 29 7.673 5.533 -18.806 186 HA TRP 29 HA TRP 29 5.883 6.114 -16.527 187 HB2 TRP 29 HB2 TRP 29 4.034 6.855 -17.855 188 HB3 TRP 29 HB3 TRP 29 5.434 7.838 -18.335 189 HD1 TRP 29 HD1 TRP 29 6.804 6.027 -20.461 190 HE1 TRP 29 HE1 TRP 29 5.663 5.488 -22.731 191 HE3 TRP 29 HE3 TRP 29 1.960 6.945 -19.102 192 HZ2 TRP 29 HZ2 TRP 29 3.023 5.477 -23.748 193 HZ3 TRP 29 HZ3 TRP 29 0.187 6.647 -20.782 194 HH2 TRP 29 HH2 TRP 29 0.710 5.928 -23.056 195 H CYS 30 H CYS 30 3.575 4.957 -17.376 196 HA CYS 30 HA CYS 30 4.481 2.156 -17.873 197 HB2 CYS 30 HB2 CYS 30 2.020 3.260 -16.471 198 HB3 CYS 30 HB3 CYS 30 2.268 1.537 -16.828 199 H LYS 31 H LYS 31 3.241 0.780 -19.226 200 HA LYS 31 HA LYS 31 1.134 1.978 -20.876 201 HB2 LYS 31 HB2 LYS 31 2.385 1.365 -23.016 202 HB3 LYS 31 HB3 LYS 31 2.945 2.816 -22.160 203 HG2 LYS 31 HG2 LYS 31 4.867 1.719 -21.337 204 HG3 LYS 31 HG3 LYS 31 4.231 0.113 -21.774 205 HD2 LYS 31 HD2 LYS 31 4.746 2.235 -23.859 206 HD3 LYS 31 HD3 LYS 31 6.041 1.155 -23.286 207 HE2 LYS 31 HE2 LYS 31 3.406 0.048 -24.238 208 HE3 LYS 31 HE3 LYS 31 4.681 0.494 -25.397 209 HZ1 LYS 31 HZ1 LYS 31 4.770 -1.856 -24.753 210 HZ2 LYS 31 HZ2 LYS 31 5.019 -1.418 -23.138 211 HZ3 LYS 31 HZ3 LYS 31 6.181 -1.034 -24.306 212 H VAL 32 H VAL 32 0.257 0.394 -22.474 213 HA VAL 32 HA VAL 32 0.072 -2.215 -21.157 214 HB VAL 32 HB VAL 32 -1.218 -1.204 -23.716 215 HG11 VAL 32 HG11 VAL 32 -2.850 -3.164 -22.787 216 HG12 VAL 32 HG12 VAL 32 -1.579 -3.416 -24.010 217 HG13 VAL 32 HG13 VAL 32 -1.262 -3.804 -22.301 218 HG21 VAL 32 HG21 VAL 32 -1.681 -0.433 -21.069 219 HG22 VAL 32 HG22 VAL 32 -2.759 -0.179 -22.463 220 HG23 VAL 32 HG23 VAL 32 -2.966 -1.612 -21.429 221 H LEU 33 H LEU 33 1.409 -3.840 -21.521 222 HA LEU 33 HA LEU 33 3.435 -3.878 -23.454 223 HB2 LEU 33 HB2 LEU 33 2.016 -6.011 -21.886 224 HB3 LEU 33 HB3 LEU 33 3.207 -6.472 -23.125 225 HG LEU 33 HG LEU 33 3.904 -4.550 -20.905 226 HD11 LEU 33 HD11 LEU 33 3.290 -7.383 -20.676 227 HD12 LEU 33 HD12 LEU 33 3.647 -6.182 -19.410 228 HD13 LEU 33 HD13 LEU 33 4.979 -7.030 -20.232 229 HD21 LEU 33 HD21 LEU 33 6.167 -5.719 -21.386 230 HD22 LEU 33 HD22 LEU 33 5.559 -4.510 -22.543 231 HD23 LEU 33 HD23 LEU 33 5.391 -6.247 -22.899 232 H LEU 34 H LEU 34 3.619 -4.382 -25.548 233 HA LEU 34 HA LEU 34 1.128 -5.333 -26.901 234 HB2 LEU 34 HB2 LEU 34 2.269 -3.033 -27.410 235 HB3 LEU 34 HB3 LEU 34 3.428 -4.022 -28.327 236 HG LEU 34 HG LEU 34 0.504 -4.351 -28.884 237 HD11 LEU 34 HD11 LEU 34 0.432 -2.059 -29.061 238 HD12 LEU 34 HD12 LEU 34 0.987 -2.503 -30.693 239 HD13 LEU 34 HD13 LEU 34 2.155 -1.926 -29.482 240 HD21 LEU 34 HD21 LEU 34 2.211 -5.797 -29.939 241 HD22 LEU 34 HD22 LEU 34 2.976 -4.350 -30.641 242 HD23 LEU 34 HD23 LEU 34 1.324 -4.806 -31.124 Start of MODEL 6 1 H1 ALA 1 H ALA 1 3.764 -1.812 0.408 2 HA ALA 1 HA ALA 1 3.904 -2.668 -1.799 3 HB1 ALA 1 HB1 ALA 1 1.661 -4.039 -0.302 4 HB2 ALA 1 HB2 ALA 1 2.892 -4.774 -1.359 5 HB3 ALA 1 HB3 ALA 1 3.362 -4.095 0.219 6 H GLU 2 H GLU 2 3.249 -1.608 -3.603 7 HA GLU 2 HA GLU 2 0.611 -2.284 -4.619 8 HB2 GLU 2 HB2 GLU 2 -0.211 0.001 -4.929 9 HB3 GLU 2 HB3 GLU 2 0.021 -0.352 -3.206 10 HG2 GLU 2 HG2 GLU 2 1.955 0.987 -3.079 11 HG3 GLU 2 HG3 GLU 2 2.114 1.068 -4.850 12 H CYS 3 H CYS 3 0.247 -1.072 -6.797 13 HA CYS 3 HA CYS 3 2.904 -0.782 -8.139 14 HB2 CYS 3 HB2 CYS 3 1.747 -1.818 -10.171 15 HB3 CYS 3 HB3 CYS 3 2.121 -2.918 -8.828 16 H LYS 4 H LYS 4 2.358 0.035 -10.559 17 HA LYS 4 HA LYS 4 0.734 2.505 -10.120 18 HB2 LYS 4 HB2 LYS 4 3.052 1.953 -12.011 19 HB3 LYS 4 HB3 LYS 4 2.109 3.456 -11.991 20 HG2 LYS 4 HG2 LYS 4 3.355 2.529 -9.439 21 HG3 LYS 4 HG3 LYS 4 4.401 3.232 -10.696 22 HD2 LYS 4 HD2 LYS 4 3.427 5.314 -10.537 23 HD3 LYS 4 HD3 LYS 4 1.872 4.662 -9.967 24 HE2 LYS 4 HE2 LYS 4 4.421 4.647 -8.327 25 HE3 LYS 4 HE3 LYS 4 3.193 5.933 -8.243 26 HZ1 LYS 4 HZ1 LYS 4 3.201 3.384 -6.991 27 HZ2 LYS 4 HZ2 LYS 4 1.826 3.543 -7.963 28 HZ3 LYS 4 HZ3 LYS 4 2.147 4.686 -6.756 29 H GLY 5 H GLY 5 -0.396 3.399 -12.005 30 HA2 GLY 5 HA2 GLY 5 -1.540 1.148 -13.607 31 HA3 GLY 5 HA3 GLY 5 -2.358 2.678 -13.243 32 H PHE 6 H PHE 6 -2.791 2.583 -15.597 33 HA PHE 6 HA PHE 6 -0.485 3.107 -17.337 34 HB2 PHE 6 HB2 PHE 6 -2.311 1.770 -18.223 35 HB3 PHE 6 HB3 PHE 6 -3.482 3.057 -17.859 36 HD1 PHE 6 HD2 PHE 6 -0.778 1.980 -20.092 37 HD2 PHE 6 HD1 PHE 6 -3.659 5.001 -19.264 38 HE1 PHE 6 HE2 PHE 6 -0.426 2.924 -22.338 39 HE2 PHE 6 HE1 PHE 6 -3.314 5.949 -21.508 40 HZ PHE 6 HZ PHE 6 -1.697 4.911 -23.048 41 H GLY 7 H GLY 7 0.268 5.025 -17.977 42 HA2 GLY 7 HA2 GLY 7 0.055 7.323 -18.579 43 HA3 GLY 7 HA3 GLY 7 -1.494 7.400 -17.718 44 H LYS 8 H LYS 8 0.887 5.789 -15.916 45 HA LYS 8 HA LYS 8 1.230 8.240 -14.255 46 HB2 LYS 8 HB2 LYS 8 1.590 5.293 -13.594 47 HB3 LYS 8 HB3 LYS 8 1.911 6.624 -12.466 48 HG2 LYS 8 HG2 LYS 8 -0.780 6.434 -13.765 49 HG3 LYS 8 HG3 LYS 8 -0.375 5.336 -12.423 50 HD2 LYS 8 HD2 LYS 8 -1.150 7.036 -11.147 51 HD3 LYS 8 HD3 LYS 8 0.482 7.702 -11.404 52 HE2 LYS 8 HE2 LYS 8 -0.585 8.742 -13.555 53 HE3 LYS 8 HE3 LYS 8 -2.122 8.456 -12.704 54 HZ1 LYS 8 HZ1 LYS 8 0.061 9.818 -11.277 55 HZ2 LYS 8 HZ2 LYS 8 -1.612 9.979 -11.092 56 HZ3 LYS 8 HZ3 LYS 8 -0.836 10.694 -12.415 57 H SER 9 H SER 9 3.310 8.592 -13.194 58 HA SER 9 HA SER 9 5.497 8.025 -15.114 59 HB2 SER 9 HB2 SER 9 6.669 9.847 -14.104 60 HB3 SER 9 HB3 SER 9 4.974 10.369 -14.240 61 HG SER 9 HG SER 9 5.525 9.054 -11.878 62 H CYS 10 H CYS 10 7.154 6.700 -14.731 63 HA CYS 10 HA CYS 10 7.776 5.923 -11.950 64 HB2 CYS 10 HB2 CYS 10 7.548 3.560 -12.305 65 HB3 CYS 10 HB3 CYS 10 6.017 4.316 -12.799 66 H VAL 11 H VAL 11 9.702 4.347 -11.947 67 HA VAL 11 HA VAL 11 11.662 5.450 -13.889 68 HB VAL 11 HB VAL 11 12.124 3.858 -11.342 69 HG11 VAL 11 HG11 VAL 11 14.092 5.399 -13.062 70 HG12 VAL 11 HG12 VAL 11 14.457 4.479 -11.581 71 HG13 VAL 11 HG13 VAL 11 13.911 3.630 -13.046 72 HG21 VAL 11 HG21 VAL 11 11.113 6.105 -10.987 73 HG22 VAL 11 HG22 VAL 11 12.758 5.961 -10.322 74 HG23 VAL 11 HG23 VAL 11 12.490 6.828 -11.854 75 HA PRO 12 HA PRO 12 11.696 1.640 -16.153 76 HB2 PRO 12 HB2 PRO 12 13.982 2.101 -17.563 77 HB3 PRO 12 HB3 PRO 12 12.435 2.904 -17.932 78 HG2 PRO 12 HG2 PRO 12 14.801 3.935 -16.381 79 HG3 PRO 12 HG3 PRO 12 13.795 4.771 -17.603 80 HD2 PRO 12 HD2 PRO 12 13.471 5.145 -14.927 81 HD3 PRO 12 HD3 PRO 12 12.109 5.227 -16.087 82 H GLY 13 H GLY 13 12.329 -0.323 -15.539 83 HA2 GLY 13 HA2 GLY 13 14.195 -1.875 -15.203 84 HA3 GLY 13 HA3 GLY 13 15.079 -0.576 -14.379 85 H LYS 14 H LYS 14 12.392 0.151 -13.056 86 HA LYS 14 HA LYS 14 12.775 -1.738 -10.802 87 HB2 LYS 14 HB2 LYS 14 11.532 0.995 -11.107 88 HB3 LYS 14 HB3 LYS 14 11.124 -0.019 -9.709 89 HG2 LYS 14 HG2 LYS 14 13.222 0.140 -8.798 90 HG3 LYS 14 HG3 LYS 14 14.006 0.406 -10.375 91 HD2 LYS 14 HD2 LYS 14 13.495 2.663 -10.401 92 HD3 LYS 14 HD3 LYS 14 12.100 2.466 -9.311 93 HE2 LYS 14 HE2 LYS 14 13.951 3.615 -8.192 94 HE3 LYS 14 HE3 LYS 14 13.615 2.040 -7.435 95 HZ1 LYS 14 HZ1 LYS 14 15.673 1.371 -7.873 96 HZ2 LYS 14 HZ2 LYS 14 16.047 2.945 -8.368 97 HZ3 LYS 14 HZ3 LYS 14 15.556 1.795 -9.506 98 H ASN 15 H ASN 15 10.800 -2.401 -9.566 99 HA ASN 15 HA ASN 15 8.760 -3.318 -11.533 100 HB2 ASN 15 HB2 ASN 15 9.858 -4.401 -8.961 101 HB3 ASN 15 HB3 ASN 15 8.172 -4.786 -9.373 102 HD21 ASN 15 HD21 ASN 15 11.311 -5.784 -9.618 103 HD22 ASN 15 HD22 ASN 15 11.149 -6.871 -11.042 104 H GLU 16 H GLU 16 7.936 -1.024 -11.398 105 HA GLU 16 HA GLU 16 6.253 -0.654 -8.961 106 HB2 GLU 16 HB2 GLU 16 6.923 1.368 -11.129 107 HB3 GLU 16 HB3 GLU 16 6.095 1.689 -9.592 108 HG2 GLU 16 HG2 GLU 16 8.337 0.647 -8.605 109 HG3 GLU 16 HG3 GLU 16 8.984 1.230 -10.157 110 H CYS 17 H CYS 17 6.167 -0.456 -12.534 111 HA CYS 17 HA CYS 17 3.440 0.085 -12.860 112 HB2 CYS 17 HB2 CYS 17 5.455 -1.451 -14.496 113 HB3 CYS 17 HB3 CYS 17 3.756 -1.388 -15.012 114 H CYS 18 H CYS 18 1.595 -1.192 -13.264 115 HA CYS 18 HA CYS 18 1.413 -3.492 -11.505 116 HB2 CYS 18 HB2 CYS 18 -0.434 -1.884 -13.199 117 HB3 CYS 18 HB3 CYS 18 -0.921 -3.565 -12.888 118 H SER 19 H SER 19 0.018 -5.432 -12.483 119 HA SER 19 HA SER 19 1.850 -6.774 -14.278 120 HB2 SER 19 HB2 SER 19 0.896 -8.343 -12.911 121 HB3 SER 19 HB3 SER 19 -0.644 -7.457 -12.789 122 HG SER 19 HG SER 19 -0.840 -9.425 -13.987 123 H GLY 20 H GLY 20 1.800 -7.043 -16.423 124 HA2 GLY 20 HA2 GLY 20 0.612 -7.311 -18.508 125 HA3 GLY 20 HA3 GLY 20 -0.731 -6.359 -17.848 126 H TYR 21 H TYR 21 1.439 -4.462 -16.734 127 HA TYR 21 HA TYR 21 1.577 -2.861 -19.234 128 HB2 TYR 21 HB2 TYR 21 2.017 -2.084 -16.324 129 HB3 TYR 21 HB3 TYR 21 2.101 -0.968 -17.704 130 HD1 TYR 21 HD2 TYR 21 -0.088 -1.106 -19.272 131 HD2 TYR 21 HD1 TYR 21 0.046 -2.112 -15.140 132 HE1 TYR 21 HE2 TYR 21 -2.509 -0.706 -19.102 133 HE2 TYR 21 HE1 TYR 21 -2.375 -1.717 -14.958 134 HH TYR 21 HH TYR 21 -4.292 -0.694 -17.797 135 H ALA 22 H ALA 22 3.580 -1.309 -19.235 136 HA ALA 22 HA ALA 22 6.025 -2.729 -18.353 137 HB1 ALA 22 HB1 ALA 22 5.097 -3.154 -20.904 138 HB2 ALA 22 HB2 ALA 22 6.235 -1.805 -21.134 139 HB3 ALA 22 HB3 ALA 22 6.790 -3.317 -20.379 140 H CYS 23 H CYS 23 7.332 -1.315 -17.429 141 HA CYS 23 HA CYS 23 6.841 1.502 -17.529 142 HB2 CYS 23 HB2 CYS 23 8.172 -0.077 -15.820 143 HB3 CYS 23 HB3 CYS 23 9.557 0.483 -16.782 144 H ASN 24 H ASN 24 6.863 2.333 -19.581 145 HA ASN 24 HA ASN 24 8.993 1.778 -21.452 146 HB2 ASN 24 HB2 ASN 24 6.509 2.754 -21.744 147 HB3 ASN 24 HB3 ASN 24 7.388 4.297 -21.676 148 HD21 ASN 24 HD21 ASN 24 6.154 3.986 -23.913 149 HD22 ASN 24 HD22 ASN 24 7.246 3.453 -25.237 150 H SER 25 H SER 25 11.023 2.280 -20.882 151 HA SER 25 HA SER 25 11.767 4.464 -19.228 152 HB2 SER 25 HB2 SER 25 13.177 2.444 -19.809 153 HB3 SER 25 HB3 SER 25 13.483 3.192 -21.394 154 HG SER 25 HG SER 25 15.143 3.658 -19.853 155 H ARG 26 H ARG 26 10.849 4.336 -22.556 156 HA ARG 26 HA ARG 26 12.261 6.476 -23.677 157 HB2 ARG 26 HB2 ARG 26 9.522 5.322 -24.094 158 HB3 ARG 26 HB3 ARG 26 9.923 6.856 -24.893 159 HG2 ARG 26 HG2 ARG 26 11.596 5.886 -26.197 160 HG3 ARG 26 HG3 ARG 26 11.738 4.466 -25.129 161 HD2 ARG 26 HD2 ARG 26 9.736 3.525 -25.924 162 HD3 ARG 26 HD3 ARG 26 9.193 5.064 -26.636 163 HE ARG 26 HE ARG 26 11.659 4.069 -27.814 164 HH11 ARG 26 HH11 ARG 26 8.134 3.863 -27.837 165 HH12 ARG 26 HH12 ARG 26 8.056 3.308 -29.514 166 HH21 ARG 26 HH21 ARG 26 11.551 3.355 -29.978 167 HH22 ARG 26 HH22 ARG 26 9.982 3.022 -30.720 168 H ASP 27 H ASP 27 9.035 6.666 -22.100 169 HA ASP 27 HA ASP 27 9.621 9.555 -21.594 170 HB2 ASP 27 HB2 ASP 27 7.533 8.615 -23.002 171 HB3 ASP 27 HB3 ASP 27 6.833 8.492 -21.373 172 H LYS 28 H LYS 28 10.080 6.846 -20.064 173 HA LYS 28 HA LYS 28 10.010 6.131 -17.880 174 HB2 LYS 28 HB2 LYS 28 10.137 9.132 -17.636 175 HB3 LYS 28 HB3 LYS 28 9.998 8.132 -16.176 176 HG2 LYS 28 HG2 LYS 28 12.117 7.359 -16.335 177 HG3 LYS 28 HG3 LYS 28 12.087 7.322 -18.115 178 HD2 LYS 28 HD2 LYS 28 12.299 9.784 -18.149 179 HD3 LYS 28 HD3 LYS 28 12.377 9.790 -16.370 180 HE2 LYS 28 HE2 LYS 28 14.620 9.900 -17.063 181 HE3 LYS 28 HE3 LYS 28 14.366 8.194 -16.626 182 HZ1 LYS 28 HZ1 LYS 28 15.478 8.964 -18.910 183 HZ2 LYS 28 HZ2 LYS 28 13.863 8.902 -19.410 184 HZ3 LYS 28 HZ3 LYS 28 14.598 7.527 -18.754 185 H TRP 29 H TRP 29 7.669 5.589 -18.833 186 HA TRP 29 HA TRP 29 5.857 6.232 -16.589 187 HB2 TRP 29 HB2 TRP 29 4.032 6.968 -17.954 188 HB3 TRP 29 HB3 TRP 29 5.450 7.930 -18.432 189 HD1 TRP 29 HD1 TRP 29 6.829 6.066 -20.507 190 HE1 TRP 29 HE1 TRP 29 5.715 5.504 -22.784 191 HE3 TRP 29 HE3 TRP 29 1.979 7.065 -19.236 192 HZ2 TRP 29 HZ2 TRP 29 3.092 5.507 -23.839 193 HZ3 TRP 29 HZ3 TRP 29 0.228 6.761 -20.936 194 HH2 TRP 29 HH2 TRP 29 0.773 5.999 -23.191 195 H CYS 30 H CYS 30 3.550 5.082 -17.430 196 HA CYS 30 HA CYS 30 4.431 2.265 -17.886 197 HB2 CYS 30 HB2 CYS 30 1.996 3.425 -16.487 198 HB3 CYS 30 HB3 CYS 30 2.187 1.697 -16.849 199 H LYS 31 H LYS 31 3.200 0.887 -19.235 200 HA LYS 31 HA LYS 31 1.099 2.078 -20.901 201 HB2 LYS 31 HB2 LYS 31 2.359 1.421 -23.029 202 HB3 LYS 31 HB3 LYS 31 2.907 2.890 -22.198 203 HG2 LYS 31 HG2 LYS 31 4.821 1.799 -21.323 204 HG3 LYS 31 HG3 LYS 31 4.202 0.193 -21.779 205 HD2 LYS 31 HD2 LYS 31 4.640 2.275 -23.900 206 HD3 LYS 31 HD3 LYS 31 6.032 1.379 -23.243 207 HE2 LYS 31 HE2 LYS 31 5.299 -0.644 -24.084 208 HE3 LYS 31 HE3 LYS 31 3.594 -0.133 -24.118 209 HZ1 LYS 31 HZ1 LYS 31 4.928 1.549 -25.858 210 HZ2 LYS 31 HZ2 LYS 31 3.883 0.284 -26.264 211 HZ3 LYS 31 HZ3 LYS 31 5.550 0.008 -26.177 212 H VAL 32 H VAL 32 0.169 0.493 -22.435 213 HA VAL 32 HA VAL 32 -0.065 -2.085 -21.101 214 HB VAL 32 HB VAL 32 -1.209 -1.226 -23.781 215 HG11 VAL 32 HG11 VAL 32 -1.439 -3.548 -23.666 216 HG12 VAL 32 HG12 VAL 32 -1.722 -3.533 -21.909 217 HG13 VAL 32 HG13 VAL 32 -2.984 -2.951 -23.021 218 HG21 VAL 32 HG21 VAL 32 -1.808 -0.328 -21.105 219 HG22 VAL 32 HG22 VAL 32 -2.513 0.189 -22.655 220 HG23 VAL 32 HG23 VAL 32 -3.202 -1.203 -21.785 221 H LEU 33 H LEU 33 1.110 -3.840 -21.429 222 HA LEU 33 HA LEU 33 3.300 -3.964 -23.179 223 HB2 LEU 33 HB2 LEU 33 1.643 -5.994 -21.730 224 HB3 LEU 33 HB3 LEU 33 2.825 -6.560 -22.934 225 HG LEU 33 HG LEU 33 3.665 -4.702 -20.716 226 HD11 LEU 33 HD11 LEU 33 4.349 -7.335 -19.985 227 HD12 LEU 33 HD12 LEU 33 2.613 -7.365 -20.383 228 HD13 LEU 33 HD13 LEU 33 3.226 -6.226 -19.160 229 HD21 LEU 33 HD21 LEU 33 5.823 -5.781 -21.072 230 HD22 LEU 33 HD22 LEU 33 5.194 -5.119 -22.600 231 HD23 LEU 33 HD23 LEU 33 5.100 -6.869 -22.282 232 H LEU 34 H LEU 34 3.648 -4.507 -25.250 233 HA LEU 34 HA LEU 34 1.226 -4.966 -26.902 234 HB2 LEU 34 HB2 LEU 34 3.182 -3.229 -27.294 235 HB3 LEU 34 HB3 LEU 34 3.975 -4.633 -28.046 236 HG LEU 34 HG LEU 34 2.869 -3.205 -29.706 237 HD11 LEU 34 HD11 LEU 34 3.004 -5.775 -29.845 238 HD12 LEU 34 HD12 LEU 34 1.893 -4.928 -30.948 239 HD13 LEU 34 HD13 LEU 34 1.257 -5.742 -29.499 240 HD21 LEU 34 HD21 LEU 34 0.131 -3.920 -29.128 241 HD22 LEU 34 HD22 LEU 34 0.852 -2.315 -29.393 242 HD23 LEU 34 HD23 LEU 34 0.844 -3.029 -27.761 Start of MODEL 7 1 H1 ALA 1 H ALA 1 1.252 -5.671 -0.775 2 HA ALA 1 HA ALA 1 2.736 -4.501 -1.796 3 HB1 ALA 1 HB1 ALA 1 3.536 -6.416 -2.962 4 HB2 ALA 1 HB2 ALA 1 2.185 -6.360 -4.120 5 HB3 ALA 1 HB3 ALA 1 3.436 -5.093 -4.150 6 H GLU 2 H GLU 2 3.098 -2.934 -3.696 7 HA GLU 2 HA GLU 2 0.450 -1.941 -4.662 8 HB2 GLU 2 HB2 GLU 2 1.342 0.395 -4.286 9 HB3 GLU 2 HB3 GLU 2 0.979 -0.521 -2.812 10 HG2 GLU 2 HG2 GLU 2 3.366 -1.051 -2.560 11 HG3 GLU 2 HG3 GLU 2 3.722 -0.108 -4.025 12 H CYS 3 H CYS 3 0.384 -1.125 -6.702 13 HA CYS 3 HA CYS 3 2.991 -1.005 -8.161 14 HB2 CYS 3 HB2 CYS 3 1.686 -1.903 -10.167 15 HB3 CYS 3 HB3 CYS 3 2.040 -3.066 -8.872 16 H LYS 4 H LYS 4 2.350 -0.108 -10.550 17 HA LYS 4 HA LYS 4 0.909 2.448 -9.967 18 HB2 LYS 4 HB2 LYS 4 3.115 1.851 -11.974 19 HB3 LYS 4 HB3 LYS 4 2.281 3.409 -11.815 20 HG2 LYS 4 HG2 LYS 4 3.112 2.965 -9.248 21 HG3 LYS 4 HG3 LYS 4 4.431 2.228 -10.193 22 HD2 LYS 4 HD2 LYS 4 5.239 4.334 -10.268 23 HD3 LYS 4 HD3 LYS 4 4.036 4.553 -11.563 24 HE2 LYS 4 HE2 LYS 4 3.375 5.036 -8.655 25 HE3 LYS 4 HE3 LYS 4 4.096 6.299 -9.683 26 HZ1 LYS 4 HZ1 LYS 4 2.017 6.761 -10.280 27 HZ2 LYS 4 HZ2 LYS 4 1.395 5.347 -9.592 28 HZ3 LYS 4 HZ3 LYS 4 2.016 5.319 -11.165 29 H GLY 5 H GLY 5 -0.321 3.426 -11.692 30 HA2 GLY 5 HA2 GLY 5 -1.648 1.313 -13.316 31 HA3 GLY 5 HA3 GLY 5 -2.293 2.925 -12.954 32 H PHE 6 H PHE 6 -2.776 2.729 -15.331 33 HA PHE 6 HA PHE 6 -0.456 3.080 -17.096 34 HB2 PHE 6 HB2 PHE 6 -2.359 1.812 -17.926 35 HB3 PHE 6 HB3 PHE 6 -3.454 3.177 -17.609 36 HD1 PHE 6 HD2 PHE 6 -0.283 2.496 -19.477 37 HD2 PHE 6 HD1 PHE 6 -4.063 4.447 -19.410 38 HE1 PHE 6 HE2 PHE 6 0.116 3.336 -21.753 39 HE2 PHE 6 HE1 PHE 6 -3.673 5.291 -21.687 40 HZ PHE 6 HZ PHE 6 -1.580 4.735 -22.863 41 H GLY 7 H GLY 7 -0.001 4.920 -18.355 42 HA2 GLY 7 HA2 GLY 7 0.072 7.198 -18.817 43 HA3 GLY 7 HA3 GLY 7 -1.501 7.376 -18.016 44 H LYS 8 H LYS 8 0.761 5.788 -16.045 45 HA LYS 8 HA LYS 8 1.097 8.298 -14.480 46 HB2 LYS 8 HB2 LYS 8 1.451 5.374 -13.723 47 HB3 LYS 8 HB3 LYS 8 1.760 6.739 -12.631 48 HG2 LYS 8 HG2 LYS 8 -0.914 6.524 -13.958 49 HG3 LYS 8 HG3 LYS 8 -0.531 5.452 -12.588 50 HD2 LYS 8 HD2 LYS 8 -1.312 7.181 -11.354 51 HD3 LYS 8 HD3 LYS 8 0.324 7.836 -11.608 52 HE2 LYS 8 HE2 LYS 8 -0.996 9.629 -12.228 53 HE3 LYS 8 HE3 LYS 8 -0.720 8.832 -13.793 54 HZ1 LYS 8 HZ1 LYS 8 -3.053 9.456 -13.444 55 HZ2 LYS 8 HZ2 LYS 8 -3.132 8.451 -12.087 56 HZ3 LYS 8 HZ3 LYS 8 -2.873 7.783 -13.620 57 H SER 9 H SER 9 3.170 8.608 -13.323 58 HA SER 9 HA SER 9 5.387 8.061 -15.217 59 HB2 SER 9 HB2 SER 9 6.505 9.907 -14.264 60 HB3 SER 9 HB3 SER 9 4.794 10.397 -14.252 61 HG SER 9 HG SER 9 5.391 9.042 -11.981 62 H CYS 10 H CYS 10 6.896 6.588 -14.855 63 HA CYS 10 HA CYS 10 7.466 5.806 -12.044 64 HB2 CYS 10 HB2 CYS 10 7.331 3.448 -12.531 65 HB3 CYS 10 HB3 CYS 10 5.798 4.197 -13.030 66 H VAL 11 H VAL 11 9.422 4.277 -11.985 67 HA VAL 11 HA VAL 11 11.471 5.501 -13.751 68 HB VAL 11 HB VAL 11 11.809 3.780 -11.269 69 HG11 VAL 11 HG11 VAL 11 13.699 3.666 -12.871 70 HG12 VAL 11 HG12 VAL 11 13.850 5.438 -12.782 71 HG13 VAL 11 HG13 VAL 11 14.140 4.446 -11.334 72 HG21 VAL 11 HG21 VAL 11 10.894 5.769 -10.474 73 HG22 VAL 11 HG22 VAL 11 12.644 6.072 -10.372 74 HG23 VAL 11 HG23 VAL 11 11.700 6.757 -11.716 75 HA PRO 12 HA PRO 12 11.712 1.823 -16.212 76 HB2 PRO 12 HB2 PRO 12 14.072 2.396 -17.453 77 HB3 PRO 12 HB3 PRO 12 12.533 3.195 -17.873 78 HG2 PRO 12 HG2 PRO 12 14.783 4.173 -16.126 79 HG3 PRO 12 HG3 PRO 12 13.837 5.061 -17.359 80 HD2 PRO 12 HD2 PRO 12 13.346 5.281 -14.691 81 HD3 PRO 12 HD3 PRO 12 12.054 5.407 -15.927 82 H GLY 13 H GLY 13 12.305 -0.151 -15.600 83 HA2 GLY 13 HA2 GLY 13 14.172 -1.706 -15.249 84 HA3 GLY 13 HA3 GLY 13 15.007 -0.436 -14.334 85 H LYS 14 H LYS 14 12.234 0.210 -13.128 86 HA LYS 14 HA LYS 14 12.482 -1.838 -10.978 87 HB2 LYS 14 HB2 LYS 14 11.216 0.926 -11.011 88 HB3 LYS 14 HB3 LYS 14 11.157 -0.181 -9.626 89 HG2 LYS 14 HG2 LYS 14 13.587 -0.128 -9.450 90 HG3 LYS 14 HG3 LYS 14 13.681 0.929 -10.880 91 HD2 LYS 14 HD2 LYS 14 12.241 2.581 -9.618 92 HD3 LYS 14 HD3 LYS 14 12.466 1.558 -8.176 93 HE2 LYS 14 HE2 LYS 14 14.781 1.975 -8.105 94 HE3 LYS 14 HE3 LYS 14 14.811 2.586 -9.777 95 HZ1 LYS 14 HZ1 LYS 14 13.360 3.955 -7.572 96 HZ2 LYS 14 HZ2 LYS 14 13.710 4.558 -9.112 97 HZ3 LYS 14 HZ3 LYS 14 14.957 4.320 -7.995 98 H ASN 15 H ASN 15 10.842 -3.151 -10.383 99 HA ASN 15 HA ASN 15 8.632 -3.412 -12.269 100 HB2 ASN 15 HB2 ASN 15 9.429 -4.896 -9.746 101 HB3 ASN 15 HB3 ASN 15 7.946 -5.277 -10.647 102 HD21 ASN 15 HD21 ASN 15 11.095 -6.107 -10.199 103 HD22 ASN 15 HD22 ASN 15 11.412 -6.898 -11.782 104 H GLU 16 H GLU 16 8.093 -1.028 -11.590 105 HA GLU 16 HA GLU 16 6.413 -0.966 -9.154 106 HB2 GLU 16 HB2 GLU 16 6.993 1.234 -11.170 107 HB3 GLU 16 HB3 GLU 16 6.223 1.428 -9.583 108 HG2 GLU 16 HG2 GLU 16 8.997 0.290 -9.849 109 HG3 GLU 16 HG3 GLU 16 8.708 2.044 -9.833 110 H CYS 17 H CYS 17 6.129 -0.600 -12.691 111 HA CYS 17 HA CYS 17 3.412 0.065 -12.852 112 HB2 CYS 17 HB2 CYS 17 5.285 -1.483 -14.636 113 HB3 CYS 17 HB3 CYS 17 3.562 -1.374 -15.056 114 H CYS 18 H CYS 18 1.500 -1.134 -13.218 115 HA CYS 18 HA CYS 18 1.289 -3.449 -11.490 116 HB2 CYS 18 HB2 CYS 18 -0.537 -1.743 -13.098 117 HB3 CYS 18 HB3 CYS 18 -1.074 -3.421 -12.858 118 H SER 19 H SER 19 -0.152 -5.353 -12.419 119 HA SER 19 HA SER 19 1.573 -6.797 -14.186 120 HB2 SER 19 HB2 SER 19 0.398 -8.292 -12.915 121 HB3 SER 19 HB3 SER 19 -1.052 -7.259 -12.850 122 HG SER 19 HG SER 19 -1.378 -9.179 -14.100 123 H GLY 20 H GLY 20 1.669 -6.977 -16.332 124 HA2 GLY 20 HA2 GLY 20 0.657 -7.102 -18.508 125 HA3 GLY 20 HA3 GLY 20 -0.718 -6.153 -17.912 126 H TYR 21 H TYR 21 1.389 -4.342 -16.559 127 HA TYR 21 HA TYR 21 1.752 -2.651 -18.976 128 HB2 TYR 21 HB2 TYR 21 1.910 -2.004 -16.007 129 HB3 TYR 21 HB3 TYR 21 2.193 -0.830 -17.313 130 HD1 TYR 21 HD2 TYR 21 0.201 -0.796 -19.123 131 HD2 TYR 21 HD1 TYR 21 -0.188 -2.019 -15.066 132 HE1 TYR 21 HE2 TYR 21 -2.208 -0.310 -19.213 133 HE2 TYR 21 HE1 TYR 21 -2.598 -1.537 -15.146 134 HH TYR 21 HH TYR 21 -4.131 -0.293 -18.125 135 H ALA 22 H ALA 22 3.760 -1.181 -18.865 136 HA ALA 22 HA ALA 22 6.110 -2.569 -17.728 137 HB1 ALA 22 HB1 ALA 22 5.406 -2.574 -20.588 138 HB2 ALA 22 HB2 ALA 22 7.070 -2.048 -20.234 139 HB3 ALA 22 HB3 ALA 22 6.500 -3.637 -19.669 140 H CYS 23 H CYS 23 7.722 -1.214 -17.156 141 HA CYS 23 HA CYS 23 7.154 1.629 -17.247 142 HB2 CYS 23 HB2 CYS 23 9.089 -0.170 -15.946 143 HB3 CYS 23 HB3 CYS 23 9.789 1.395 -16.416 144 H ASN 24 H ASN 24 7.123 2.312 -19.371 145 HA ASN 24 HA ASN 24 9.278 1.704 -21.203 146 HB2 ASN 24 HB2 ASN 24 6.779 2.513 -21.611 147 HB3 ASN 24 HB3 ASN 24 7.526 4.125 -21.552 148 HD21 ASN 24 HD21 ASN 24 8.576 0.965 -22.849 149 HD22 ASN 24 HD22 ASN 24 8.880 1.574 -24.514 150 H SER 25 H SER 25 11.287 2.335 -20.723 151 HA SER 25 HA SER 25 11.955 4.630 -19.188 152 HB2 SER 25 HB2 SER 25 14.197 4.138 -19.696 153 HB3 SER 25 HB3 SER 25 13.391 2.559 -19.862 154 HG SER 25 HG SER 25 14.798 3.033 -21.636 155 H ARG 26 H ARG 26 10.990 4.297 -22.485 156 HA ARG 26 HA ARG 26 12.292 6.431 -23.741 157 HB2 ARG 26 HB2 ARG 26 10.643 4.758 -24.736 158 HB3 ARG 26 HB3 ARG 26 9.348 5.797 -24.110 159 HG2 ARG 26 HG2 ARG 26 9.638 6.386 -26.379 160 HG3 ARG 26 HG3 ARG 26 10.394 7.689 -25.429 161 HD2 ARG 26 HD2 ARG 26 11.868 7.169 -27.239 162 HD3 ARG 26 HD3 ARG 26 12.598 6.523 -25.750 163 HE ARG 26 HE ARG 26 11.050 4.461 -26.913 164 HH11 ARG 26 HH11 ARG 26 13.919 6.401 -27.609 165 HH12 ARG 26 HH12 ARG 26 14.690 5.134 -28.571 166 HH21 ARG 26 HH21 ARG 26 12.053 2.832 -28.154 167 HH22 ARG 26 HH22 ARG 26 13.638 3.123 -28.880 168 H ASP 27 H ASP 27 9.082 6.577 -22.129 169 HA ASP 27 HA ASP 27 9.585 9.501 -21.738 170 HB2 ASP 27 HB2 ASP 27 7.531 8.442 -23.134 171 HB3 ASP 27 HB3 ASP 27 6.814 8.410 -21.508 172 H LYS 28 H LYS 28 10.081 6.857 -20.109 173 HA LYS 28 HA LYS 28 9.990 6.214 -17.903 174 HB2 LYS 28 HB2 LYS 28 10.055 9.222 -17.771 175 HB3 LYS 28 HB3 LYS 28 9.890 8.283 -16.274 176 HG2 LYS 28 HG2 LYS 28 12.021 7.522 -16.348 177 HG3 LYS 28 HG3 LYS 28 12.047 7.441 -18.128 178 HD2 LYS 28 HD2 LYS 28 12.253 9.887 -18.237 179 HD3 LYS 28 HD3 LYS 28 12.217 9.970 -16.458 180 HE2 LYS 28 HE2 LYS 28 14.237 8.346 -16.575 181 HE3 LYS 28 HE3 LYS 28 14.353 8.863 -18.273 182 HZ1 LYS 28 HZ1 LYS 28 14.625 10.525 -15.829 183 HZ2 LYS 28 HZ2 LYS 28 14.365 11.208 -17.354 184 HZ3 LYS 28 HZ3 LYS 28 15.755 10.287 -17.066 185 H TRP 29 H TRP 29 7.680 5.585 -18.874 186 HA TRP 29 HA TRP 29 5.817 6.244 -16.679 187 HB2 TRP 29 HB2 TRP 29 4.000 6.918 -18.085 188 HB3 TRP 29 HB3 TRP 29 5.405 7.898 -18.560 189 HD1 TRP 29 HD1 TRP 29 6.847 5.995 -20.571 190 HE1 TRP 29 HE1 TRP 29 5.779 5.376 -22.855 191 HE3 TRP 29 HE3 TRP 29 1.967 6.985 -19.408 192 HZ2 TRP 29 HZ2 TRP 29 3.174 5.338 -23.957 193 HZ3 TRP 29 HZ3 TRP 29 0.248 6.632 -21.132 194 HH2 TRP 29 HH2 TRP 29 0.841 5.826 -23.361 195 H CYS 30 H CYS 30 3.550 5.028 -17.507 196 HA CYS 30 HA CYS 30 4.491 2.221 -17.877 197 HB2 CYS 30 HB2 CYS 30 1.989 3.381 -16.600 198 HB3 CYS 30 HB3 CYS 30 2.214 1.646 -16.910 199 H LYS 31 H LYS 31 3.353 0.787 -19.241 200 HA LYS 31 HA LYS 31 1.276 1.871 -21.003 201 HB2 LYS 31 HB2 LYS 31 2.598 1.283 -23.083 202 HB3 LYS 31 HB3 LYS 31 3.152 2.726 -22.214 203 HG2 LYS 31 HG2 LYS 31 5.038 1.602 -21.337 204 HG3 LYS 31 HG3 LYS 31 4.399 0.007 -21.808 205 HD2 LYS 31 HD2 LYS 31 4.453 1.231 -24.223 206 HD3 LYS 31 HD3 LYS 31 5.807 2.063 -23.421 207 HE2 LYS 31 HE2 LYS 31 6.909 -0.022 -22.967 208 HE3 LYS 31 HE3 LYS 31 5.494 -0.948 -23.517 209 HZ1 LYS 31 HZ1 LYS 31 7.658 -0.170 -25.036 210 HZ2 LYS 31 HZ2 LYS 31 6.400 0.843 -25.538 211 HZ3 LYS 31 HZ3 LYS 31 6.208 -0.837 -25.602 212 H VAL 32 H VAL 32 0.205 0.277 -22.240 213 HA VAL 32 HA VAL 32 0.108 -2.288 -20.963 214 HB VAL 32 HB VAL 32 -1.002 -1.449 -23.666 215 HG11 VAL 32 HG11 VAL 32 -1.222 -3.933 -22.029 216 HG12 VAL 32 HG12 VAL 32 -2.690 -3.349 -22.849 217 HG13 VAL 32 HG13 VAL 32 -1.228 -3.717 -23.795 218 HG21 VAL 32 HG21 VAL 32 -1.653 -0.480 -21.145 219 HG22 VAL 32 HG22 VAL 32 -2.669 -0.397 -22.604 220 HG23 VAL 32 HG23 VAL 32 -2.881 -1.734 -21.448 221 H LEU 33 H LEU 33 1.492 -3.904 -21.128 222 HA LEU 33 HA LEU 33 3.648 -4.033 -22.908 223 HB2 LEU 33 HB2 LEU 33 2.154 -6.057 -21.277 224 HB3 LEU 33 HB3 LEU 33 3.379 -6.620 -22.438 225 HG LEU 33 HG LEU 33 4.039 -4.544 -20.353 226 HD11 LEU 33 HD11 LEU 33 3.884 -7.542 -20.042 227 HD12 LEU 33 HD12 LEU 33 3.214 -6.272 -18.990 228 HD13 LEU 33 HD13 LEU 33 4.973 -6.540 -19.053 229 HD21 LEU 33 HD21 LEU 33 5.589 -4.906 -22.243 230 HD22 LEU 33 HD22 LEU 33 5.705 -6.626 -21.798 231 HD23 LEU 33 HD23 LEU 33 6.300 -5.374 -20.679 232 H LEU 34 H LEU 34 4.063 -4.919 -24.882 233 HA LEU 34 HA LEU 34 1.808 -6.259 -26.280 234 HB2 LEU 34 HB2 LEU 34 1.947 -4.874 -28.197 235 HB3 LEU 34 HB3 LEU 34 1.819 -3.792 -26.792 236 HG LEU 34 HG LEU 34 4.478 -3.802 -27.029 237 HD11 LEU 34 HD11 LEU 34 4.944 -5.144 -28.825 238 HD12 LEU 34 HD12 LEU 34 4.763 -3.575 -29.648 239 HD13 LEU 34 HD13 LEU 34 3.423 -4.746 -29.661 240 HD21 LEU 34 HD21 LEU 34 2.790 -2.143 -28.909 241 HD22 LEU 34 HD22 LEU 34 4.299 -1.691 -28.082 242 HD23 LEU 34 HD23 LEU 34 2.798 -1.895 -27.147 Start of MODEL 8 1 H1 ALA 1 H ALA 1 1.239 -6.197 -1.475 2 HA ALA 1 HA ALA 1 2.688 -4.723 -2.639 3 HB1 ALA 1 HB1 ALA 1 2.501 -6.788 -3.699 4 HB2 ALA 1 HB2 ALA 1 0.807 -6.507 -4.171 5 HB3 ALA 1 HB3 ALA 1 2.119 -5.635 -4.999 6 H GLU 2 H GLU 2 3.012 -2.841 -3.656 7 HA GLU 2 HA GLU 2 0.559 -1.408 -4.592 8 HB2 GLU 2 HB2 GLU 2 1.998 0.669 -4.248 9 HB3 GLU 2 HB3 GLU 2 1.499 -0.196 -2.781 10 HG2 GLU 2 HG2 GLU 2 3.695 -1.264 -2.648 11 HG3 GLU 2 HG3 GLU 2 4.199 -0.417 -4.130 12 H CYS 3 H CYS 3 0.363 -0.962 -6.676 13 HA CYS 3 HA CYS 3 2.860 -0.892 -8.317 14 HB2 CYS 3 HB2 CYS 3 1.462 -1.934 -10.172 15 HB3 CYS 3 HB3 CYS 3 1.880 -3.010 -8.821 16 H LYS 4 H LYS 4 2.201 -0.044 -10.645 17 HA LYS 4 HA LYS 4 0.586 2.425 -10.153 18 HB2 LYS 4 HB2 LYS 4 2.901 1.967 -12.071 19 HB3 LYS 4 HB3 LYS 4 1.966 3.468 -11.938 20 HG2 LYS 4 HG2 LYS 4 2.699 3.224 -9.378 21 HG3 LYS 4 HG3 LYS 4 4.045 2.339 -10.138 22 HD2 LYS 4 HD2 LYS 4 4.837 4.202 -11.233 23 HD3 LYS 4 HD3 LYS 4 3.237 4.980 -11.290 24 HE2 LYS 4 HE2 LYS 4 4.852 6.095 -9.747 25 HE3 LYS 4 HE3 LYS 4 3.358 5.543 -8.954 26 HZ1 LYS 4 HZ1 LYS 4 4.503 3.687 -8.037 27 HZ2 LYS 4 HZ2 LYS 4 5.443 5.054 -7.711 28 HZ3 LYS 4 HZ3 LYS 4 5.896 3.991 -8.946 29 H GLY 5 H GLY 5 -0.595 3.311 -11.981 30 HA2 GLY 5 HA2 GLY 5 -1.654 1.081 -13.662 31 HA3 GLY 5 HA3 GLY 5 -2.509 2.586 -13.272 32 H PHE 6 H PHE 6 -2.972 2.769 -15.539 33 HA PHE 6 HA PHE 6 -0.686 3.218 -17.333 34 HB2 PHE 6 HB2 PHE 6 -2.614 2.062 -18.239 35 HB3 PHE 6 HB3 PHE 6 -3.695 3.385 -17.748 36 HD1 PHE 6 HD2 PHE 6 -1.107 2.334 -20.134 37 HD2 PHE 6 HD1 PHE 6 -3.838 5.403 -19.031 38 HE1 PHE 6 HE2 PHE 6 -0.781 3.405 -22.324 39 HE2 PHE 6 HE1 PHE 6 -3.519 6.481 -21.219 40 HZ PHE 6 HZ PHE 6 -1.987 5.482 -22.870 41 H GLY 7 H GLY 7 0.088 5.127 -18.048 42 HA2 GLY 7 HA2 GLY 7 0.049 7.456 -18.458 43 HA3 GLY 7 HA3 GLY 7 -1.468 7.588 -17.548 44 H LYS 8 H LYS 8 0.851 5.738 -15.900 45 HA LYS 8 HA LYS 8 1.347 8.045 -14.090 46 HB2 LYS 8 HB2 LYS 8 1.545 5.040 -13.742 47 HB3 LYS 8 HB3 LYS 8 2.203 6.177 -12.550 48 HG2 LYS 8 HG2 LYS 8 -0.639 6.505 -13.417 49 HG3 LYS 8 HG3 LYS 8 -0.225 5.170 -12.313 50 HD2 LYS 8 HD2 LYS 8 -0.655 6.812 -10.775 51 HD3 LYS 8 HD3 LYS 8 1.080 7.111 -11.047 52 HE2 LYS 8 HE2 LYS 8 0.702 9.031 -12.256 53 HE3 LYS 8 HE3 LYS 8 -0.904 8.496 -12.808 54 HZ1 LYS 8 HZ1 LYS 8 -0.827 8.815 -9.975 55 HZ2 LYS 8 HZ2 LYS 8 -1.858 9.531 -11.108 56 HZ3 LYS 8 HZ3 LYS 8 -0.365 10.244 -10.753 57 H SER 9 H SER 9 3.419 8.553 -13.308 58 HA SER 9 HA SER 9 5.543 7.886 -15.265 59 HB2 SER 9 HB2 SER 9 6.761 9.770 -14.304 60 HB3 SER 9 HB3 SER 9 5.091 10.270 -14.662 61 HG SER 9 HG SER 9 5.559 9.233 -12.106 62 H CYS 10 H CYS 10 6.871 6.262 -14.881 63 HA CYS 10 HA CYS 10 7.685 5.783 -12.046 64 HB2 CYS 10 HB2 CYS 10 7.562 3.403 -12.355 65 HB3 CYS 10 HB3 CYS 10 6.006 4.086 -12.873 66 H VAL 11 H VAL 11 9.672 4.295 -11.971 67 HA VAL 11 HA VAL 11 11.634 5.457 -13.865 68 HB VAL 11 HB VAL 11 12.082 3.805 -11.354 69 HG11 VAL 11 HG11 VAL 11 14.045 5.442 -12.987 70 HG12 VAL 11 HG12 VAL 11 14.402 4.490 -11.526 71 HG13 VAL 11 HG13 VAL 11 13.909 3.668 -13.026 72 HG21 VAL 11 HG21 VAL 11 13.022 6.335 -10.852 73 HG22 VAL 11 HG22 VAL 11 11.567 6.665 -11.820 74 HG23 VAL 11 HG23 VAL 11 11.442 5.703 -10.327 75 HA PRO 12 HA PRO 12 11.811 1.714 -16.233 76 HB2 PRO 12 HB2 PRO 12 14.116 2.273 -17.580 77 HB3 PRO 12 HB3 PRO 12 12.556 3.047 -17.960 78 HG2 PRO 12 HG2 PRO 12 14.862 4.091 -16.330 79 HG3 PRO 12 HG3 PRO 12 13.860 4.936 -17.549 80 HD2 PRO 12 HD2 PRO 12 13.471 5.225 -14.872 81 HD3 PRO 12 HD3 PRO 12 12.132 5.307 -16.059 82 H GLY 13 H GLY 13 12.441 -0.235 -15.580 83 HA2 GLY 13 HA2 GLY 13 14.330 -1.770 -15.261 84 HA3 GLY 13 HA3 GLY 13 15.195 -0.468 -14.424 85 H LYS 14 H LYS 14 12.508 0.228 -13.096 86 HA LYS 14 HA LYS 14 12.905 -1.669 -10.854 87 HB2 LYS 14 HB2 LYS 14 11.782 1.084 -11.172 88 HB3 LYS 14 HB3 LYS 14 11.100 0.075 -9.883 89 HG2 LYS 14 HG2 LYS 14 13.103 -0.025 -8.716 90 HG3 LYS 14 HG3 LYS 14 14.076 0.376 -10.153 91 HD2 LYS 14 HD2 LYS 14 14.016 2.268 -8.620 92 HD3 LYS 14 HD3 LYS 14 13.144 2.665 -10.121 93 HE2 LYS 14 HE2 LYS 14 11.956 3.436 -8.092 94 HE3 LYS 14 HE3 LYS 14 11.013 2.257 -9.036 95 HZ1 LYS 14 HZ1 LYS 14 11.106 0.747 -7.393 96 HZ2 LYS 14 HZ2 LYS 14 11.400 2.085 -6.401 97 HZ3 LYS 14 HZ3 LYS 14 12.690 1.134 -6.943 98 H ASN 15 H ASN 15 10.730 -2.027 -9.558 99 HA ASN 15 HA ASN 15 8.808 -3.137 -11.562 100 HB2 ASN 15 HB2 ASN 15 9.515 -4.044 -8.747 101 HB3 ASN 15 HB3 ASN 15 8.154 -4.702 -9.680 102 HD21 ASN 15 HD21 ASN 15 10.395 -6.144 -8.654 103 HD22 ASN 15 HD22 ASN 15 11.268 -6.821 -10.073 104 H GLU 16 H GLU 16 7.976 -0.849 -11.549 105 HA GLU 16 HA GLU 16 6.280 -0.325 -9.154 106 HB2 GLU 16 HB2 GLU 16 6.928 1.490 -11.507 107 HB3 GLU 16 HB3 GLU 16 6.037 1.946 -10.041 108 HG2 GLU 16 HG2 GLU 16 8.842 0.875 -9.873 109 HG3 GLU 16 HG3 GLU 16 8.529 2.586 -10.250 110 H CYS 17 H CYS 17 6.145 -0.476 -12.727 111 HA CYS 17 HA CYS 17 3.371 -0.047 -13.008 112 HB2 CYS 17 HB2 CYS 17 5.428 -1.542 -14.634 113 HB3 CYS 17 HB3 CYS 17 3.717 -1.574 -15.110 114 H CYS 18 H CYS 18 1.600 -1.453 -13.327 115 HA CYS 18 HA CYS 18 1.713 -3.785 -11.545 116 HB2 CYS 18 HB2 CYS 18 -0.260 -1.929 -12.304 117 HB3 CYS 18 HB3 CYS 18 -0.784 -3.469 -13.018 118 H SER 19 H SER 19 -0.078 -5.542 -12.588 119 HA SER 19 HA SER 19 1.570 -6.963 -14.481 120 HB2 SER 19 HB2 SER 19 0.329 -8.341 -13.031 121 HB3 SER 19 HB3 SER 19 -1.171 -7.416 -13.283 122 HG SER 19 HG SER 19 -1.173 -9.440 -14.402 123 H GLY 20 H GLY 20 1.500 -7.113 -16.642 124 HA2 GLY 20 HA2 GLY 20 0.421 -7.020 -18.768 125 HA3 GLY 20 HA3 GLY 20 -0.899 -6.077 -18.053 126 H TYR 21 H TYR 21 1.258 -4.378 -16.682 127 HA TYR 21 HA TYR 21 1.592 -2.567 -19.014 128 HB2 TYR 21 HB2 TYR 21 1.890 -2.069 -16.026 129 HB3 TYR 21 HB3 TYR 21 2.080 -0.837 -17.293 130 HD1 TYR 21 HD2 TYR 21 -0.106 -1.176 -19.073 131 HD2 TYR 21 HD1 TYR 21 -0.060 -1.721 -14.855 132 HE1 TYR 21 HE2 TYR 21 -2.521 -0.716 -18.994 133 HE2 TYR 21 HE1 TYR 21 -2.475 -1.263 -14.763 134 HH TYR 21 HH TYR 21 -4.281 -0.297 -17.669 135 H ALA 22 H ALA 22 3.625 -1.157 -18.920 136 HA ALA 22 HA ALA 22 5.984 -2.639 -17.918 137 HB1 ALA 22 HB1 ALA 22 5.157 -2.603 -20.711 138 HB2 ALA 22 HB2 ALA 22 6.786 -1.923 -20.485 139 HB3 ALA 22 HB3 ALA 22 6.419 -3.564 -19.903 140 H CYS 23 H CYS 23 7.675 -1.353 -17.381 141 HA CYS 23 HA CYS 23 7.149 1.506 -17.288 142 HB2 CYS 23 HB2 CYS 23 9.081 -0.395 -16.138 143 HB3 CYS 23 HB3 CYS 23 9.805 1.172 -16.557 144 H ASN 24 H ASN 24 7.044 2.231 -19.413 145 HA ASN 24 HA ASN 24 9.147 1.698 -21.317 146 HB2 ASN 24 HB2 ASN 24 6.621 2.610 -21.552 147 HB3 ASN 24 HB3 ASN 24 7.480 4.166 -21.588 148 HD21 ASN 24 HD21 ASN 24 6.592 4.306 -23.750 149 HD22 ASN 24 HD22 ASN 24 7.477 3.499 -25.091 150 H SER 25 H SER 25 11.173 2.288 -20.851 151 HA SER 25 HA SER 25 11.897 4.526 -19.256 152 HB2 SER 25 HB2 SER 25 13.731 3.547 -21.431 153 HB3 SER 25 HB3 SER 25 14.097 3.965 -19.740 154 HG SER 25 HG SER 25 14.161 1.685 -20.132 155 H ARG 26 H ARG 26 10.863 4.307 -22.542 156 HA ARG 26 HA ARG 26 12.167 6.462 -23.757 157 HB2 ARG 26 HB2 ARG 26 9.270 5.582 -24.028 158 HB3 ARG 26 HB3 ARG 26 10.090 6.703 -25.135 159 HG2 ARG 26 HG2 ARG 26 11.157 3.935 -24.601 160 HG3 ARG 26 HG3 ARG 26 9.903 4.245 -25.827 161 HD2 ARG 26 HD2 ARG 26 12.458 5.842 -25.782 162 HD3 ARG 26 HD3 ARG 26 12.404 4.231 -26.537 163 HE ARG 26 HE ARG 26 10.245 5.892 -27.478 164 HH11 ARG 26 HH11 ARG 26 13.717 5.320 -27.768 165 HH12 ARG 26 HH12 ARG 26 13.804 5.950 -29.417 166 HH21 ARG 26 HH21 ARG 26 10.367 6.704 -29.604 167 HH22 ARG 26 HH22 ARG 26 11.917 6.731 -30.451 168 H ASP 27 H ASP 27 8.992 6.597 -22.075 169 HA ASP 27 HA ASP 27 9.535 9.504 -21.614 170 HB2 ASP 27 HB2 ASP 27 7.424 8.474 -22.970 171 HB3 ASP 27 HB3 ASP 27 6.761 8.451 -21.321 172 H LYS 28 H LYS 28 10.053 6.813 -20.072 173 HA LYS 28 HA LYS 28 10.020 6.112 -17.881 174 HB2 LYS 28 HB2 LYS 28 10.110 9.115 -17.666 175 HB3 LYS 28 HB3 LYS 28 9.988 8.132 -16.194 176 HG2 LYS 28 HG2 LYS 28 12.106 7.331 -16.380 177 HG3 LYS 28 HG3 LYS 28 12.083 7.369 -18.160 178 HD2 LYS 28 HD2 LYS 28 12.572 9.662 -18.237 179 HD3 LYS 28 HD3 LYS 28 12.085 9.915 -16.543 180 HE2 LYS 28 HE2 LYS 28 14.415 8.141 -17.271 181 HE3 LYS 28 HE3 LYS 28 14.604 9.903 -17.112 182 HZ1 LYS 28 HZ1 LYS 28 13.317 9.334 -14.850 183 HZ2 LYS 28 HZ2 LYS 28 15.004 9.354 -14.979 184 HZ3 LYS 28 HZ3 LYS 28 14.168 7.886 -15.058 185 H TRP 29 H TRP 29 7.676 5.527 -18.804 186 HA TRP 29 HA TRP 29 5.884 6.130 -16.539 187 HB2 TRP 29 HB2 TRP 29 4.033 6.874 -17.864 188 HB3 TRP 29 HB3 TRP 29 5.436 7.861 -18.337 189 HD1 TRP 29 HD1 TRP 29 6.805 6.023 -20.459 190 HE1 TRP 29 HE1 TRP 29 5.671 5.513 -22.737 191 HE3 TRP 29 HE3 TRP 29 1.969 7.025 -19.133 192 HZ2 TRP 29 HZ2 TRP 29 3.039 5.552 -23.773 193 HZ3 TRP 29 HZ3 TRP 29 0.204 6.765 -20.825 194 HH2 TRP 29 HH2 TRP 29 0.729 6.045 -23.099 195 H CYS 30 H CYS 30 3.590 4.962 -17.291 196 HA CYS 30 HA CYS 30 4.482 2.169 -17.851 197 HB2 CYS 30 HB2 CYS 30 2.058 3.263 -16.378 198 HB3 CYS 30 HB3 CYS 30 2.291 1.543 -16.756 199 H LYS 31 H LYS 31 3.261 0.815 -19.217 200 HA LYS 31 HA LYS 31 1.074 1.985 -20.778 201 HB2 LYS 31 HB2 LYS 31 2.236 1.560 -22.969 202 HB3 LYS 31 HB3 LYS 31 2.897 2.918 -22.036 203 HG2 LYS 31 HG2 LYS 31 4.836 1.749 -21.470 204 HG3 LYS 31 HG3 LYS 31 4.106 0.168 -21.843 205 HD2 LYS 31 HD2 LYS 31 3.912 1.282 -24.268 206 HD3 LYS 31 HD3 LYS 31 5.304 2.212 -23.659 207 HE2 LYS 31 HE2 LYS 31 6.379 0.021 -23.046 208 HE3 LYS 31 HE3 LYS 31 5.048 -0.798 -23.894 209 HZ1 LYS 31 HZ1 LYS 31 7.393 0.174 -24.997 210 HZ2 LYS 31 HZ2 LYS 31 6.178 1.219 -25.539 211 HZ3 LYS 31 HZ3 LYS 31 6.052 -0.444 -25.823 212 H VAL 32 H VAL 32 -0.074 0.457 -22.030 213 HA VAL 32 HA VAL 32 -0.084 -2.175 -20.898 214 HB VAL 32 HB VAL 32 -1.333 -1.321 -23.530 215 HG11 VAL 32 HG11 VAL 32 -1.699 -3.638 -21.651 216 HG12 VAL 32 HG12 VAL 32 -3.066 -3.061 -22.637 217 HG13 VAL 32 HG13 VAL 32 -1.573 -3.623 -23.425 218 HG21 VAL 32 HG21 VAL 32 -3.255 -1.311 -21.459 219 HG22 VAL 32 HG22 VAL 32 -1.855 -0.399 -20.848 220 HG23 VAL 32 HG23 VAL 32 -2.629 0.081 -22.377 221 H LEU 33 H LEU 33 1.343 -3.732 -21.216 222 HA LEU 33 HA LEU 33 3.347 -3.747 -23.176 223 HB2 LEU 33 HB2 LEU 33 2.032 -5.937 -21.574 224 HB3 LEU 33 HB3 LEU 33 3.322 -6.301 -22.745 225 HG LEU 33 HG LEU 33 3.826 -4.226 -20.642 226 HD11 LEU 33 HD11 LEU 33 4.791 -6.396 -19.397 227 HD12 LEU 33 HD12 LEU 33 3.361 -7.122 -20.168 228 HD13 LEU 33 HD13 LEU 33 3.172 -5.730 -19.075 229 HD21 LEU 33 HD21 LEU 33 6.087 -5.497 -20.792 230 HD22 LEU 33 HD22 LEU 33 5.606 -4.420 -22.124 231 HD23 LEU 33 HD23 LEU 33 5.411 -6.183 -22.288 232 H LEU 34 H LEU 34 3.672 -4.855 -25.123 233 HA LEU 34 HA LEU 34 1.350 -4.915 -26.833 234 HB2 LEU 34 HB2 LEU 34 3.926 -4.523 -27.311 235 HB3 LEU 34 HB3 LEU 34 3.907 -6.281 -27.585 236 HG LEU 34 HG LEU 34 3.699 -5.043 -29.683 237 HD11 LEU 34 HD11 LEU 34 2.314 -7.224 -28.979 238 HD12 LEU 34 HD12 LEU 34 2.184 -6.473 -30.587 239 HD13 LEU 34 HD13 LEU 34 0.953 -6.134 -29.345 240 HD21 LEU 34 HD21 LEU 34 1.026 -4.025 -28.717 241 HD22 LEU 34 HD22 LEU 34 1.936 -3.559 -30.173 242 HD23 LEU 34 HD23 LEU 34 2.520 -3.070 -28.563 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.836 -1.858 0.622 2 HA ALA 1 HA ALA 1 2.301 -2.339 -1.653 3 HB1 ALA 1 HB1 ALA 1 1.786 -4.288 -0.551 4 HB2 ALA 1 HB2 ALA 1 0.132 -3.761 -0.155 5 HB3 ALA 1 HB3 ALA 1 0.528 -4.287 -1.810 6 H GLU 2 H GLU 2 1.985 -1.359 -3.531 7 HA GLU 2 HA GLU 2 -0.668 -1.464 -4.755 8 HB2 GLU 2 HB2 GLU 2 -0.703 1.014 -5.232 9 HB3 GLU 2 HB3 GLU 2 -1.011 0.572 -3.542 10 HG2 GLU 2 HG2 GLU 2 1.783 1.230 -4.385 11 HG3 GLU 2 HG3 GLU 2 0.606 2.546 -4.161 12 H CYS 3 H CYS 3 -0.611 -0.422 -6.990 13 HA CYS 3 HA CYS 3 2.144 -0.643 -8.127 14 HB2 CYS 3 HB2 CYS 3 1.032 -1.723 -10.150 15 HB3 CYS 3 HB3 CYS 3 1.122 -2.725 -8.685 16 H LYS 4 H LYS 4 2.128 0.155 -10.497 17 HA LYS 4 HA LYS 4 0.686 2.765 -10.468 18 HB2 LYS 4 HB2 LYS 4 3.179 1.811 -11.916 19 HB3 LYS 4 HB3 LYS 4 2.385 3.357 -12.270 20 HG2 LYS 4 HG2 LYS 4 3.095 2.766 -9.433 21 HG3 LYS 4 HG3 LYS 4 4.407 3.168 -10.569 22 HD2 LYS 4 HD2 LYS 4 3.691 5.321 -10.849 23 HD3 LYS 4 HD3 LYS 4 1.979 4.900 -10.600 24 HE2 LYS 4 HE2 LYS 4 4.059 4.913 -8.396 25 HE3 LYS 4 HE3 LYS 4 3.013 6.301 -8.782 26 HZ1 LYS 4 HZ1 LYS 4 2.427 4.088 -7.172 27 HZ2 LYS 4 HZ2 LYS 4 1.411 4.006 -8.521 28 HZ3 LYS 4 HZ3 LYS 4 1.425 5.395 -7.556 29 H GLY 5 H GLY 5 -1.045 2.995 -11.704 30 HA2 GLY 5 HA2 GLY 5 -1.704 0.975 -13.698 31 HA3 GLY 5 HA3 GLY 5 -2.641 2.430 -13.309 32 H PHE 6 H PHE 6 -3.059 2.783 -15.523 33 HA PHE 6 HA PHE 6 -0.766 3.255 -17.299 34 HB2 PHE 6 HB2 PHE 6 -2.726 2.215 -18.263 35 HB3 PHE 6 HB3 PHE 6 -3.771 3.531 -17.682 36 HD1 PHE 6 HD2 PHE 6 -1.282 2.532 -20.179 37 HD2 PHE 6 HD1 PHE 6 -3.824 5.659 -18.812 38 HE1 PHE 6 HE2 PHE 6 -0.950 3.726 -22.304 39 HE2 PHE 6 HE1 PHE 6 -3.496 6.859 -20.935 40 HZ PHE 6 HZ PHE 6 -2.056 5.893 -22.684 41 H GLY 7 H GLY 7 -0.199 5.219 -18.261 42 HA2 GLY 7 HA2 GLY 7 -0.039 7.537 -18.427 43 HA3 GLY 7 HA3 GLY 7 -1.573 7.678 -17.547 44 H LYS 8 H LYS 8 0.659 5.717 -15.909 45 HA LYS 8 HA LYS 8 1.192 7.963 -14.031 46 HB2 LYS 8 HB2 LYS 8 1.428 4.952 -13.664 47 HB3 LYS 8 HB3 LYS 8 1.765 6.164 -12.411 48 HG2 LYS 8 HG2 LYS 8 -0.904 6.247 -13.736 49 HG3 LYS 8 HG3 LYS 8 -0.574 4.919 -12.596 50 HD2 LYS 8 HD2 LYS 8 -1.269 6.400 -11.041 51 HD3 LYS 8 HD3 LYS 8 0.379 7.054 -11.196 52 HE2 LYS 8 HE2 LYS 8 -0.889 8.965 -11.454 53 HE3 LYS 8 HE3 LYS 8 -0.678 8.455 -13.147 54 HZ1 LYS 8 HZ1 LYS 8 -3.015 7.450 -11.688 55 HZ2 LYS 8 HZ2 LYS 8 -2.851 7.845 -13.324 56 HZ3 LYS 8 HZ3 LYS 8 -3.029 9.071 -12.171 57 H SER 9 H SER 9 3.232 8.514 -13.342 58 HA SER 9 HA SER 9 5.373 7.819 -15.217 59 HB2 SER 9 HB2 SER 9 5.749 9.997 -14.687 60 HB3 SER 9 HB3 SER 9 4.879 9.869 -13.141 61 HG SER 9 HG SER 9 7.140 10.260 -12.861 62 H CYS 10 H CYS 10 7.151 6.592 -14.868 63 HA CYS 10 HA CYS 10 7.670 5.557 -12.153 64 HB2 CYS 10 HB2 CYS 10 7.539 3.237 -12.751 65 HB3 CYS 10 HB3 CYS 10 6.007 3.991 -13.241 66 H VAL 11 H VAL 11 9.648 4.058 -12.203 67 HA VAL 11 HA VAL 11 11.638 5.365 -13.995 68 HB VAL 11 HB VAL 11 12.077 3.722 -11.475 69 HG11 VAL 11 HG11 VAL 11 14.030 5.412 -13.066 70 HG12 VAL 11 HG12 VAL 11 14.382 4.468 -11.598 71 HG13 VAL 11 HG13 VAL 11 13.943 3.636 -13.110 72 HG21 VAL 11 HG21 VAL 11 12.778 5.988 -10.556 73 HG22 VAL 11 HG22 VAL 11 11.991 6.704 -11.982 74 HG23 VAL 11 HG23 VAL 11 11.034 5.751 -10.823 75 HA PRO 12 HA PRO 12 11.962 1.632 -16.362 76 HB2 PRO 12 HB2 PRO 12 14.280 2.253 -17.660 77 HB3 PRO 12 HB3 PRO 12 12.707 2.986 -18.072 78 HG2 PRO 12 HG2 PRO 12 14.951 4.088 -16.393 79 HG3 PRO 12 HG3 PRO 12 13.954 4.909 -17.633 80 HD2 PRO 12 HD2 PRO 12 13.501 5.183 -14.962 81 HD3 PRO 12 HD3 PRO 12 12.185 5.232 -16.178 82 H GLY 13 H GLY 13 12.664 -0.312 -15.764 83 HA2 GLY 13 HA2 GLY 13 14.581 -1.786 -15.390 84 HA3 GLY 13 HA3 GLY 13 15.383 -0.466 -14.517 85 H LYS 14 H LYS 14 12.753 0.202 -13.179 86 HA LYS 14 HA LYS 14 13.111 -1.738 -10.979 87 HB2 LYS 14 HB2 LYS 14 11.898 0.984 -11.288 88 HB3 LYS 14 HB3 LYS 14 11.272 -0.059 -9.995 89 HG2 LYS 14 HG2 LYS 14 13.303 -0.096 -8.861 90 HG3 LYS 14 HG3 LYS 14 14.229 0.390 -10.304 91 HD2 LYS 14 HD2 LYS 14 14.093 2.243 -8.731 92 HD3 LYS 14 HD3 LYS 14 13.167 2.622 -10.206 93 HE2 LYS 14 HE2 LYS 14 11.953 3.293 -8.180 94 HE3 LYS 14 HE3 LYS 14 11.087 2.017 -9.070 95 HZ1 LYS 14 HZ1 LYS 14 11.289 0.609 -7.363 96 HZ2 LYS 14 HZ2 LYS 14 11.660 1.966 -6.425 97 HZ3 LYS 14 HZ3 LYS 14 12.905 1.014 -7.064 98 H ASN 15 H ASN 15 10.888 -2.104 -9.721 99 HA ASN 15 HA ASN 15 8.968 -3.137 -11.773 100 HB2 ASN 15 HB2 ASN 15 9.652 -4.357 -9.068 101 HB3 ASN 15 HB3 ASN 15 8.487 -5.005 -10.244 102 HD21 ASN 15 HD21 ASN 15 10.772 -6.334 -9.137 103 HD22 ASN 15 HD22 ASN 15 11.860 -6.713 -10.516 104 H GLU 16 H GLU 16 8.017 -0.948 -11.491 105 HA GLU 16 HA GLU 16 6.433 -0.769 -8.965 106 HB2 GLU 16 HB2 GLU 16 6.901 1.396 -11.043 107 HB3 GLU 16 HB3 GLU 16 6.168 1.590 -9.439 108 HG2 GLU 16 HG2 GLU 16 8.464 0.661 -8.592 109 HG3 GLU 16 HG3 GLU 16 9.039 1.185 -10.193 110 H CYS 17 H CYS 17 6.232 -0.636 -12.514 111 HA CYS 17 HA CYS 17 3.486 -0.080 -12.769 112 HB2 CYS 17 HB2 CYS 17 5.470 -1.618 -14.441 113 HB3 CYS 17 HB3 CYS 17 3.756 -1.591 -14.907 114 H CYS 18 H CYS 18 1.669 -1.444 -13.243 115 HA CYS 18 HA CYS 18 1.605 -3.757 -11.437 116 HB2 CYS 18 HB2 CYS 18 -0.251 -1.853 -12.238 117 HB3 CYS 18 HB3 CYS 18 -0.766 -3.307 -13.119 118 H SER 19 H SER 19 -0.087 -5.533 -12.496 119 HA SER 19 HA SER 19 1.612 -6.965 -14.335 120 HB2 SER 19 HB2 SER 19 -0.212 -7.769 -12.547 121 HB3 SER 19 HB3 SER 19 -1.263 -7.746 -13.983 122 HG SER 19 HG SER 19 -0.227 -9.790 -13.670 123 H GLY 20 H GLY 20 1.608 -7.105 -16.492 124 HA2 GLY 20 HA2 GLY 20 0.563 -7.075 -18.642 125 HA3 GLY 20 HA3 GLY 20 -0.791 -6.152 -17.965 126 H TYR 21 H TYR 21 1.294 -4.387 -16.573 127 HA TYR 21 HA TYR 21 1.594 -2.569 -18.895 128 HB2 TYR 21 HB2 TYR 21 1.959 -2.112 -15.909 129 HB3 TYR 21 HB3 TYR 21 2.136 -0.862 -17.157 130 HD1 TYR 21 HD2 TYR 21 -0.063 -1.082 -18.896 131 HD2 TYR 21 HD1 TYR 21 0.014 -1.849 -14.714 132 HE1 TYR 21 HE2 TYR 21 -2.474 -0.610 -18.773 133 HE2 TYR 21 HE1 TYR 21 -2.396 -1.382 -14.577 134 HH TYR 21 HH TYR 21 -4.266 -0.472 -17.483 135 H ALA 22 H ALA 22 3.618 -1.154 -18.862 136 HA ALA 22 HA ALA 22 6.015 -2.636 -17.948 137 HB1 ALA 22 HB1 ALA 22 6.701 -1.832 -20.541 138 HB2 ALA 22 HB2 ALA 22 6.437 -3.495 -19.962 139 HB3 ALA 22 HB3 ALA 22 5.096 -2.586 -20.700 140 H CYS 23 H CYS 23 7.765 -1.360 -17.516 141 HA CYS 23 HA CYS 23 7.210 1.504 -17.340 142 HB2 CYS 23 HB2 CYS 23 9.059 -0.406 -16.153 143 HB3 CYS 23 HB3 CYS 23 9.909 1.062 -16.682 144 H ASN 24 H ASN 24 7.111 2.322 -19.412 145 HA ASN 24 HA ASN 24 9.181 1.777 -21.363 146 HB2 ASN 24 HB2 ASN 24 6.700 2.597 -21.678 147 HB3 ASN 24 HB3 ASN 24 7.407 4.214 -21.471 148 HD21 ASN 24 HD21 ASN 24 6.265 4.007 -23.745 149 HD22 ASN 24 HD22 ASN 24 7.418 3.678 -25.085 150 H SER 25 H SER 25 11.216 2.359 -20.940 151 HA SER 25 HA SER 25 11.973 4.560 -19.308 152 HB2 SER 25 HB2 SER 25 14.172 4.023 -19.868 153 HB3 SER 25 HB3 SER 25 13.335 2.489 -20.203 154 HG SER 25 HG SER 25 14.745 3.133 -21.920 155 H ARG 26 H ARG 26 10.882 4.412 -22.579 156 HA ARG 26 HA ARG 26 12.172 6.589 -23.771 157 HB2 ARG 26 HB2 ARG 26 9.416 5.407 -24.028 158 HB3 ARG 26 HB3 ARG 26 9.801 6.909 -24.892 159 HG2 ARG 26 HG2 ARG 26 11.474 4.403 -25.125 160 HG3 ARG 26 HG3 ARG 26 10.092 4.758 -26.189 161 HD2 ARG 26 HD2 ARG 26 11.189 6.920 -26.789 162 HD3 ARG 26 HD3 ARG 26 12.604 6.416 -25.834 163 HE ARG 26 HE ARG 26 12.041 4.348 -27.674 164 HH11 ARG 26 HH11 ARG 26 13.057 7.730 -27.657 165 HH12 ARG 26 HH12 ARG 26 13.978 7.587 -29.159 166 HH21 ARG 26 HH21 ARG 26 13.231 4.172 -29.611 167 HH22 ARG 26 HH22 ARG 26 14.076 5.581 -30.261 168 H ASP 27 H ASP 27 9.025 6.696 -22.033 169 HA ASP 27 HA ASP 27 9.589 9.588 -21.514 170 HB2 ASP 27 HB2 ASP 27 7.467 8.632 -22.884 171 HB3 ASP 27 HB3 ASP 27 6.812 8.528 -21.235 172 H LYS 28 H LYS 28 10.105 6.859 -20.042 173 HA LYS 28 HA LYS 28 10.086 6.103 -17.869 174 HB2 LYS 28 HB2 LYS 28 10.186 9.103 -17.573 175 HB3 LYS 28 HB3 LYS 28 10.087 8.075 -16.130 176 HG2 LYS 28 HG2 LYS 28 12.212 7.335 -16.344 177 HG3 LYS 28 HG3 LYS 28 12.144 7.317 -18.122 178 HD2 LYS 28 HD2 LYS 28 11.940 10.030 -17.281 179 HD3 LYS 28 HD3 LYS 28 13.285 9.286 -16.379 180 HE2 LYS 28 HE2 LYS 28 14.263 8.494 -18.485 181 HE3 LYS 28 HE3 LYS 28 12.911 9.216 -19.390 182 HZ1 LYS 28 HZ1 LYS 28 14.949 10.597 -19.349 183 HZ2 LYS 28 HZ2 LYS 28 14.790 10.761 -17.673 184 HZ3 LYS 28 HZ3 LYS 28 13.600 11.388 -18.701 185 H TRP 29 H TRP 29 7.730 5.556 -18.786 186 HA TRP 29 HA TRP 29 5.958 6.134 -16.493 187 HB2 TRP 29 HB2 TRP 29 4.100 6.886 -17.803 188 HB3 TRP 29 HB3 TRP 29 5.500 7.870 -18.290 189 HD1 TRP 29 HD1 TRP 29 6.846 6.050 -20.431 190 HE1 TRP 29 HE1 TRP 29 5.686 5.533 -22.697 191 HE3 TRP 29 HE3 TRP 29 2.020 7.010 -19.041 192 HZ2 TRP 29 HZ2 TRP 29 3.042 5.551 -23.698 193 HZ3 TRP 29 HZ3 TRP 29 0.235 6.738 -20.712 194 HH2 TRP 29 HH2 TRP 29 0.736 6.023 -22.992 195 H CYS 30 H CYS 30 3.655 4.972 -17.261 196 HA CYS 30 HA CYS 30 4.548 2.179 -17.827 197 HB2 CYS 30 HB2 CYS 30 2.123 3.260 -16.346 198 HB3 CYS 30 HB3 CYS 30 2.371 1.542 -16.722 199 H LYS 31 H LYS 31 3.281 0.819 -19.165 200 HA LYS 31 HA LYS 31 1.114 2.019 -20.731 201 HB2 LYS 31 HB2 LYS 31 2.266 1.539 -22.922 202 HB3 LYS 31 HB3 LYS 31 2.945 2.901 -22.008 203 HG2 LYS 31 HG2 LYS 31 4.897 1.788 -21.526 204 HG3 LYS 31 HG3 LYS 31 4.142 0.181 -21.660 205 HD2 LYS 31 HD2 LYS 31 3.826 0.982 -24.192 206 HD3 LYS 31 HD3 LYS 31 5.252 1.965 -23.777 207 HE2 LYS 31 HE2 LYS 31 5.030 -1.038 -23.403 208 HE3 LYS 31 HE3 LYS 31 5.832 -0.235 -24.775 209 HZ1 LYS 31 HZ1 LYS 31 7.244 -0.992 -22.783 210 HZ2 LYS 31 HZ2 LYS 31 6.635 0.374 -21.994 211 HZ3 LYS 31 HZ3 LYS 31 7.524 0.550 -23.423 212 H VAL 32 H VAL 32 -0.082 0.503 -21.941 213 HA VAL 32 HA VAL 32 -0.126 -2.121 -20.792 214 HB VAL 32 HB VAL 32 -1.418 -1.141 -23.362 215 HG11 VAL 32 HG11 VAL 32 -1.490 -3.493 -23.433 216 HG12 VAL 32 HG12 VAL 32 -1.795 -3.624 -21.684 217 HG13 VAL 32 HG13 VAL 32 -3.067 -3.010 -22.766 218 HG21 VAL 32 HG21 VAL 32 -1.870 -0.349 -20.702 219 HG22 VAL 32 HG22 VAL 32 -2.903 -0.039 -22.116 220 HG23 VAL 32 HG23 VAL 32 -3.193 -1.472 -21.102 221 H LEU 33 H LEU 33 1.298 -3.684 -21.109 222 HA LEU 33 HA LEU 33 3.255 -3.754 -23.111 223 HB2 LEU 33 HB2 LEU 33 1.943 -5.898 -21.447 224 HB3 LEU 33 HB3 LEU 33 3.188 -6.308 -22.648 225 HG LEU 33 HG LEU 33 3.767 -4.235 -20.553 226 HD11 LEU 33 HD11 LEU 33 4.829 -6.504 -19.479 227 HD12 LEU 33 HD12 LEU 33 3.276 -7.108 -20.108 228 HD13 LEU 33 HD13 LEU 33 3.301 -5.751 -18.958 229 HD21 LEU 33 HD21 LEU 33 5.283 -6.050 -22.389 230 HD22 LEU 33 HD22 LEU 33 6.029 -5.565 -20.848 231 HD23 LEU 33 HD23 LEU 33 5.529 -4.325 -22.023 232 H LEU 34 H LEU 34 3.525 -4.856 -25.060 233 HA LEU 34 HA LEU 34 0.978 -5.805 -26.309 234 HB2 LEU 34 HB2 LEU 34 1.806 -4.854 -28.452 235 HB3 LEU 34 HB3 LEU 34 1.438 -3.632 -27.212 236 HG LEU 34 HG LEU 34 4.047 -3.836 -26.753 237 HD11 LEU 34 HD11 LEU 34 5.008 -5.264 -28.195 238 HD12 LEU 34 HD12 LEU 34 4.857 -3.930 -29.363 239 HD13 LEU 34 HD13 LEU 34 3.628 -5.215 -29.319 240 HD21 LEU 34 HD21 LEU 34 2.696 -1.838 -27.472 241 HD22 LEU 34 HD22 LEU 34 3.006 -2.320 -29.157 242 HD23 LEU 34 HD23 LEU 34 4.364 -1.883 -28.092 Start of MODEL 10 1 H1 ALA 1 H ALA 1 3.008 -5.011 -0.774 2 HA ALA 1 HA ALA 1 3.920 -3.488 -2.348 3 HB1 ALA 1 HB1 ALA 1 4.709 -5.708 -2.543 4 HB2 ALA 1 HB2 ALA 1 3.198 -6.266 -3.300 5 HB3 ALA 1 HB3 ALA 1 4.303 -5.197 -4.199 6 H GLU 2 H GLU 2 2.352 -1.807 -2.758 7 HA GLU 2 HA GLU 2 0.258 -2.180 -4.702 8 HB2 GLU 2 HB2 GLU 2 1.595 0.198 -3.422 9 HB3 GLU 2 HB3 GLU 2 0.497 0.438 -4.794 10 HG2 GLU 2 HG2 GLU 2 -1.325 -0.572 -3.593 11 HG3 GLU 2 HG3 GLU 2 -0.244 -1.036 -2.259 12 H CYS 3 H CYS 3 0.117 -1.041 -6.787 13 HA CYS 3 HA CYS 3 2.780 -0.857 -8.128 14 HB2 CYS 3 HB2 CYS 3 1.604 -1.846 -10.173 15 HB3 CYS 3 HB3 CYS 3 1.948 -2.968 -8.839 16 H LYS 4 H LYS 4 2.360 0.061 -10.488 17 HA LYS 4 HA LYS 4 0.809 2.564 -10.036 18 HB2 LYS 4 HB2 LYS 4 2.936 1.938 -12.119 19 HB3 LYS 4 HB3 LYS 4 2.175 3.516 -11.839 20 HG2 LYS 4 HG2 LYS 4 3.474 2.257 -9.491 21 HG3 LYS 4 HG3 LYS 4 4.551 2.793 -10.804 22 HD2 LYS 4 HD2 LYS 4 4.443 4.747 -9.629 23 HD3 LYS 4 HD3 LYS 4 2.997 4.965 -10.645 24 HE2 LYS 4 HE2 LYS 4 2.621 3.498 -8.087 25 HE3 LYS 4 HE3 LYS 4 2.993 5.235 -7.961 26 HZ1 LYS 4 HZ1 LYS 4 0.944 5.743 -8.608 27 HZ2 LYS 4 HZ2 LYS 4 0.534 4.109 -8.463 28 HZ3 LYS 4 HZ3 LYS 4 1.019 4.728 -9.960 29 H GLY 5 H GLY 5 -0.244 3.539 -11.978 30 HA2 GLY 5 HA2 GLY 5 -1.556 1.339 -13.538 31 HA3 GLY 5 HA3 GLY 5 -2.341 2.862 -13.081 32 H PHE 6 H PHE 6 -2.767 2.535 -15.535 33 HA PHE 6 HA PHE 6 -0.569 3.205 -17.303 34 HB2 PHE 6 HB2 PHE 6 -2.471 1.929 -18.133 35 HB3 PHE 6 HB3 PHE 6 -3.584 3.248 -17.711 36 HD1 PHE 6 HD2 PHE 6 -0.942 2.159 -20.025 37 HD2 PHE 6 HD1 PHE 6 -3.799 5.174 -19.108 38 HE1 PHE 6 HE2 PHE 6 -0.635 3.123 -22.268 39 HE2 PHE 6 HE1 PHE 6 -3.500 6.144 -21.349 40 HZ PHE 6 HZ PHE 6 -1.917 5.119 -22.933 41 H GLY 7 H GLY 7 0.177 5.121 -17.969 42 HA2 GLY 7 HA2 GLY 7 0.039 7.436 -18.468 43 HA3 GLY 7 HA3 GLY 7 -1.510 7.525 -17.607 44 H LYS 8 H LYS 8 0.836 5.826 -15.838 45 HA LYS 8 HA LYS 8 1.208 8.223 -14.109 46 HB2 LYS 8 HB2 LYS 8 1.395 5.241 -13.601 47 HB3 LYS 8 HB3 LYS 8 2.016 6.435 -12.445 48 HG2 LYS 8 HG2 LYS 8 -0.802 6.681 -13.433 49 HG3 LYS 8 HG3 LYS 8 -0.404 5.458 -12.201 50 HD2 LYS 8 HD2 LYS 8 -0.922 7.238 -10.846 51 HD3 LYS 8 HD3 LYS 8 0.827 7.507 -11.059 52 HE2 LYS 8 HE2 LYS 8 0.518 9.307 -12.462 53 HE3 LYS 8 HE3 LYS 8 -1.070 8.734 -13.024 54 HZ1 LYS 8 HZ1 LYS 8 -1.456 10.600 -11.654 55 HZ2 LYS 8 HZ2 LYS 8 -0.422 10.043 -10.437 56 HZ3 LYS 8 HZ3 LYS 8 -1.892 9.256 -10.724 57 H SER 9 H SER 9 3.272 8.659 -13.149 58 HA SER 9 HA SER 9 5.451 8.107 -15.064 59 HB2 SER 9 HB2 SER 9 6.702 9.800 -13.699 60 HB3 SER 9 HB3 SER 9 5.164 10.416 -14.350 61 HG SER 9 HG SER 9 5.123 9.228 -11.802 62 H CYS 10 H CYS 10 7.034 6.690 -14.767 63 HA CYS 10 HA CYS 10 7.685 5.838 -12.000 64 HB2 CYS 10 HB2 CYS 10 7.505 3.491 -12.489 65 HB3 CYS 10 HB3 CYS 10 5.967 4.249 -12.952 66 H VAL 11 H VAL 11 9.642 4.317 -12.035 67 HA VAL 11 HA VAL 11 11.591 5.506 -13.947 68 HB VAL 11 HB VAL 11 12.085 3.962 -11.376 69 HG11 VAL 11 HG11 VAL 11 14.012 5.552 -13.097 70 HG12 VAL 11 HG12 VAL 11 14.395 4.663 -11.602 71 HG13 VAL 11 HG13 VAL 11 13.895 3.776 -13.062 72 HG21 VAL 11 HG21 VAL 11 11.563 6.806 -11.961 73 HG22 VAL 11 HG22 VAL 11 11.409 5.898 -10.438 74 HG23 VAL 11 HG23 VAL 11 13.001 6.503 -10.957 75 HA PRO 12 HA PRO 12 11.781 1.673 -16.164 76 HB2 PRO 12 HB2 PRO 12 14.066 2.201 -17.559 77 HB3 PRO 12 HB3 PRO 12 12.492 2.942 -17.952 78 HG2 PRO 12 HG2 PRO 12 14.806 4.074 -16.391 79 HG3 PRO 12 HG3 PRO 12 13.782 4.860 -17.632 80 HD2 PRO 12 HD2 PRO 12 13.420 5.253 -14.965 81 HD3 PRO 12 HD3 PRO 12 12.066 5.275 -16.138 82 H GLY 13 H GLY 13 12.502 -0.266 -15.567 83 HA2 GLY 13 HA2 GLY 13 14.439 -1.727 -15.194 84 HA3 GLY 13 HA3 GLY 13 15.229 -0.394 -14.331 85 H LYS 14 H LYS 14 12.466 0.180 -13.087 86 HA LYS 14 HA LYS 14 12.887 -1.688 -10.827 87 HB2 LYS 14 HB2 LYS 14 11.434 0.935 -11.178 88 HB3 LYS 14 HB3 LYS 14 11.097 -0.104 -9.780 89 HG2 LYS 14 HG2 LYS 14 13.385 0.032 -9.048 90 HG3 LYS 14 HG3 LYS 14 13.848 0.910 -10.528 91 HD2 LYS 14 HD2 LYS 14 11.986 2.598 -9.733 92 HD3 LYS 14 HD3 LYS 14 12.288 1.854 -8.143 93 HE2 LYS 14 HE2 LYS 14 14.581 2.496 -8.180 94 HE3 LYS 14 HE3 LYS 14 14.496 2.952 -9.900 95 HZ1 LYS 14 HZ1 LYS 14 12.785 4.655 -9.127 96 HZ2 LYS 14 HZ2 LYS 14 14.404 4.959 -8.742 97 HZ3 LYS 14 HZ3 LYS 14 13.350 4.364 -7.559 98 H ASN 15 H ASN 15 10.630 -2.064 -9.596 99 HA ASN 15 HA ASN 15 8.781 -3.193 -11.660 100 HB2 ASN 15 HB2 ASN 15 9.658 -4.368 -8.997 101 HB3 ASN 15 HB3 ASN 15 8.289 -4.992 -9.943 102 HD21 ASN 15 HD21 ASN 15 8.664 -6.500 -11.396 103 HD22 ASN 15 HD22 ASN 15 10.288 -6.931 -12.038 104 H GLU 16 H GLU 16 7.822 -0.978 -11.363 105 HA GLU 16 HA GLU 16 6.140 -0.893 -8.894 106 HB2 GLU 16 HB2 GLU 16 6.669 1.368 -10.852 107 HB3 GLU 16 HB3 GLU 16 5.915 1.480 -9.251 108 HG2 GLU 16 HG2 GLU 16 8.194 0.516 -8.412 109 HG3 GLU 16 HG3 GLU 16 8.797 1.095 -9.983 110 H CYS 17 H CYS 17 6.089 -0.537 -12.441 111 HA CYS 17 HA CYS 17 3.370 0.019 -12.803 112 HB2 CYS 17 HB2 CYS 17 5.392 -1.515 -14.438 113 HB3 CYS 17 HB3 CYS 17 3.706 -1.388 -14.983 114 H CYS 18 H CYS 18 1.523 -1.234 -13.241 115 HA CYS 18 HA CYS 18 1.309 -3.572 -11.540 116 HB2 CYS 18 HB2 CYS 18 -0.511 -1.932 -13.241 117 HB3 CYS 18 HB3 CYS 18 -1.007 -3.612 -12.940 118 H SER 19 H SER 19 -0.002 -5.523 -12.516 119 HA SER 19 HA SER 19 1.822 -6.819 -14.331 120 HB2 SER 19 HB2 SER 19 0.842 -8.400 -12.988 121 HB3 SER 19 HB3 SER 19 -0.706 -7.527 -12.907 122 HG SER 19 HG SER 19 -0.849 -9.487 -14.129 123 H GLY 20 H GLY 20 1.793 -7.082 -16.481 124 HA2 GLY 20 HA2 GLY 20 0.639 -7.305 -18.586 125 HA3 GLY 20 HA3 GLY 20 -0.710 -6.358 -17.931 126 H TYR 21 H TYR 21 1.424 -4.473 -16.758 127 HA TYR 21 HA TYR 21 1.607 -2.837 -19.228 128 HB2 TYR 21 HB2 TYR 21 2.021 -2.116 -16.301 129 HB3 TYR 21 HB3 TYR 21 2.131 -0.975 -17.658 130 HD1 TYR 21 HD2 TYR 21 -0.026 -0.994 -19.235 131 HD2 TYR 21 HD1 TYR 21 0.022 -2.216 -15.161 132 HE1 TYR 21 HE2 TYR 21 -2.446 -0.579 -19.090 133 HE2 TYR 21 HE1 TYR 21 -2.397 -1.806 -15.003 134 HH TYR 21 HH TYR 21 -4.254 -0.614 -17.815 135 H ALA 22 H ALA 22 3.609 -1.323 -19.247 136 HA ALA 22 HA ALA 22 6.045 -2.748 -18.342 137 HB1 ALA 22 HB1 ALA 22 6.394 -1.836 -21.077 138 HB2 ALA 22 HB2 ALA 22 6.731 -3.427 -20.352 139 HB3 ALA 22 HB3 ALA 22 5.099 -3.049 -20.953 140 H CYS 23 H CYS 23 7.388 -1.350 -17.440 141 HA CYS 23 HA CYS 23 6.898 1.474 -17.527 142 HB2 CYS 23 HB2 CYS 23 8.173 -0.072 -15.782 143 HB3 CYS 23 HB3 CYS 23 9.589 0.380 -16.754 144 H ASN 24 H ASN 24 6.920 2.243 -19.620 145 HA ASN 24 HA ASN 24 9.088 1.697 -21.442 146 HB2 ASN 24 HB2 ASN 24 6.604 2.615 -21.808 147 HB3 ASN 24 HB3 ASN 24 7.434 4.184 -21.714 148 HD21 ASN 24 HD21 ASN 24 6.592 4.328 -23.934 149 HD22 ASN 24 HD22 ASN 24 7.607 3.640 -25.250 150 H SER 25 H SER 25 11.107 2.261 -20.936 151 HA SER 25 HA SER 25 11.809 4.457 -19.270 152 HB2 SER 25 HB2 SER 25 13.270 2.482 -19.810 153 HB3 SER 25 HB3 SER 25 13.531 3.177 -21.430 154 HG SER 25 HG SER 25 15.209 3.734 -19.938 155 H ARG 26 H ARG 26 10.862 4.315 -22.580 156 HA ARG 26 HA ARG 26 12.238 6.462 -23.729 157 HB2 ARG 26 HB2 ARG 26 9.518 5.263 -24.105 158 HB3 ARG 26 HB3 ARG 26 9.856 6.819 -24.889 159 HG2 ARG 26 HG2 ARG 26 10.433 5.321 -26.538 160 HG3 ARG 26 HG3 ARG 26 12.004 5.610 -25.751 161 HD2 ARG 26 HD2 ARG 26 11.471 3.565 -24.309 162 HD3 ARG 26 HD3 ARG 26 10.160 3.233 -25.466 163 HE ARG 26 HE ARG 26 13.005 2.805 -25.854 164 HH11 ARG 26 HH11 ARG 26 9.942 3.526 -27.453 165 HH12 ARG 26 HH12 ARG 26 10.453 2.854 -29.005 166 HH21 ARG 26 HH21 ARG 26 13.659 1.939 -27.859 167 HH22 ARG 26 HH22 ARG 26 12.550 1.957 -29.233 168 H ASP 27 H ASP 27 9.035 6.636 -22.107 169 HA ASP 27 HA ASP 27 9.619 9.527 -21.601 170 HB2 ASP 27 HB2 ASP 27 7.522 8.578 -23.003 171 HB3 ASP 27 HB3 ASP 27 6.831 8.480 -21.369 172 H LYS 28 H LYS 28 10.099 6.824 -20.081 173 HA LYS 28 HA LYS 28 10.036 6.101 -17.899 174 HB2 LYS 28 HB2 LYS 28 10.094 9.108 -17.611 175 HB3 LYS 28 HB3 LYS 28 10.043 8.063 -16.177 176 HG2 LYS 28 HG2 LYS 28 12.172 7.317 -16.470 177 HG3 LYS 28 HG3 LYS 28 12.094 7.445 -18.244 178 HD2 LYS 28 HD2 LYS 28 12.468 9.779 -18.197 179 HD3 LYS 28 HD3 LYS 28 12.126 9.879 -16.451 180 HE2 LYS 28 HE2 LYS 28 14.161 8.711 -15.922 181 HE3 LYS 28 HE3 LYS 28 14.462 8.356 -17.640 182 HZ1 LYS 28 HZ1 LYS 28 14.698 10.932 -16.211 183 HZ2 LYS 28 HZ2 LYS 28 14.455 10.904 -17.885 184 HZ3 LYS 28 HZ3 LYS 28 15.821 10.163 -17.216 185 H TRP 29 H TRP 29 7.701 5.540 -18.851 186 HA TRP 29 HA TRP 29 5.884 6.151 -16.604 187 HB2 TRP 29 HB2 TRP 29 4.051 6.884 -17.960 188 HB3 TRP 29 HB3 TRP 29 5.460 7.865 -18.425 189 HD1 TRP 29 HD1 TRP 29 6.857 6.034 -20.520 190 HE1 TRP 29 HE1 TRP 29 5.750 5.490 -22.805 191 HE3 TRP 29 HE3 TRP 29 1.999 6.984 -19.243 192 HZ2 TRP 29 HZ2 TRP 29 3.127 5.487 -23.863 193 HZ3 TRP 29 HZ3 TRP 29 0.251 6.687 -20.949 194 HH2 TRP 29 HH2 TRP 29 0.805 5.956 -23.212 195 H CYS 30 H CYS 30 3.589 4.988 -17.435 196 HA CYS 30 HA CYS 30 4.491 2.186 -17.941 197 HB2 CYS 30 HB2 CYS 30 2.016 3.264 -16.537 198 HB3 CYS 30 HB3 CYS 30 2.328 1.543 -16.849 199 H LYS 31 H LYS 31 3.285 0.824 -19.312 200 HA LYS 31 HA LYS 31 1.133 2.009 -20.920 201 HB2 LYS 31 HB2 LYS 31 2.357 1.444 -23.081 202 HB3 LYS 31 HB3 LYS 31 2.934 2.877 -22.208 203 HG2 LYS 31 HG2 LYS 31 4.861 1.748 -21.423 204 HG3 LYS 31 HG3 LYS 31 4.218 0.161 -21.908 205 HD2 LYS 31 HD2 LYS 31 4.658 2.320 -23.958 206 HD3 LYS 31 HD3 LYS 31 6.019 1.322 -23.391 207 HE2 LYS 31 HE2 LYS 31 3.428 0.239 -24.539 208 HE3 LYS 31 HE3 LYS 31 4.937 0.454 -25.459 209 HZ1 LYS 31 HZ1 LYS 31 5.052 -1.739 -24.817 210 HZ2 LYS 31 HZ2 LYS 31 4.324 -1.477 -23.314 211 HZ3 LYS 31 HZ3 LYS 31 5.926 -1.000 -23.572 212 H VAL 32 H VAL 32 0.207 0.439 -22.472 213 HA VAL 32 HA VAL 32 -0.016 -2.149 -21.184 214 HB VAL 32 HB VAL 32 -1.064 -1.335 -23.914 215 HG11 VAL 32 HG11 VAL 32 -1.505 -3.638 -22.065 216 HG12 VAL 32 HG12 VAL 32 -2.900 -3.022 -22.986 217 HG13 VAL 32 HG13 VAL 32 -1.447 -3.591 -23.842 218 HG21 VAL 32 HG21 VAL 32 -2.312 -0.997 -21.171 219 HG22 VAL 32 HG22 VAL 32 -1.802 0.297 -22.280 220 HG23 VAL 32 HG23 VAL 32 -3.162 -0.763 -22.717 221 H LEU 33 H LEU 33 1.245 -3.854 -21.437 222 HA LEU 33 HA LEU 33 3.465 -3.951 -23.150 223 HB2 LEU 33 HB2 LEU 33 1.831 -6.043 -21.740 224 HB3 LEU 33 HB3 LEU 33 3.144 -6.532 -22.837 225 HG LEU 33 HG LEU 33 3.645 -4.607 -20.569 226 HD11 LEU 33 HD11 LEU 33 2.513 -6.842 -19.868 227 HD12 LEU 33 HD12 LEU 33 3.992 -6.309 -19.032 228 HD13 LEU 33 HD13 LEU 33 4.084 -7.567 -20.287 229 HD21 LEU 33 HD21 LEU 33 5.405 -4.751 -22.191 230 HD22 LEU 33 HD22 LEU 33 5.340 -6.530 -22.186 231 HD23 LEU 33 HD23 LEU 33 5.918 -5.656 -20.746 232 H LEU 34 H LEU 34 3.937 -4.931 -25.111 233 HA LEU 34 HA LEU 34 1.534 -5.658 -26.740 234 HB2 LEU 34 HB2 LEU 34 3.913 -3.935 -27.391 235 HB3 LEU 34 HB3 LEU 34 3.050 -4.802 -28.683 236 HG LEU 34 HG LEU 34 1.564 -2.990 -26.791 237 HD11 LEU 34 HD11 LEU 34 3.424 -1.662 -27.656 238 HD12 LEU 34 HD12 LEU 34 1.882 -1.151 -28.382 239 HD13 LEU 34 HD13 LEU 34 3.016 -2.154 -29.318 240 HD21 LEU 34 HD21 LEU 34 1.111 -4.287 -29.446 241 HD22 LEU 34 HD22 LEU 34 0.339 -2.716 -29.122 242 HD23 LEU 34 HD23 LEU 34 0.013 -4.106 -28.058 Start of MODEL 11 1 H1 ALA 1 H ALA 1 3.980 -5.875 -2.311 2 HA ALA 1 HA ALA 1 3.258 -3.421 -1.819 3 HB1 ALA 1 HB1 ALA 1 5.481 -3.615 -2.233 4 HB2 ALA 1 HB2 ALA 1 5.241 -4.693 -3.631 5 HB3 ALA 1 HB3 ALA 1 5.003 -2.938 -3.808 6 H GLU 2 H GLU 2 2.444 -1.600 -2.786 7 HA GLU 2 HA GLU 2 0.397 -2.008 -4.747 8 HB2 GLU 2 HB2 GLU 2 1.720 0.605 -3.927 9 HB3 GLU 2 HB3 GLU 2 0.136 0.418 -4.706 10 HG2 GLU 2 HG2 GLU 2 0.754 -0.828 -2.032 11 HG3 GLU 2 HG3 GLU 2 0.188 0.852 -2.187 12 H CYS 3 H CYS 3 0.207 -1.029 -6.859 13 HA CYS 3 HA CYS 3 2.860 -0.734 -8.209 14 HB2 CYS 3 HB2 CYS 3 1.685 -1.753 -10.241 15 HB3 CYS 3 HB3 CYS 3 2.060 -2.862 -8.904 16 H LYS 4 H LYS 4 2.419 0.173 -10.562 17 HA LYS 4 HA LYS 4 0.785 2.629 -10.122 18 HB2 LYS 4 HB2 LYS 4 2.995 2.102 -12.146 19 HB3 LYS 4 HB3 LYS 4 2.165 3.648 -11.878 20 HG2 LYS 4 HG2 LYS 4 3.541 2.339 -9.567 21 HG3 LYS 4 HG3 LYS 4 4.523 3.147 -10.814 22 HD2 LYS 4 HD2 LYS 4 4.165 4.918 -9.405 23 HD3 LYS 4 HD3 LYS 4 2.731 5.079 -10.449 24 HE2 LYS 4 HE2 LYS 4 1.292 4.298 -8.827 25 HE3 LYS 4 HE3 LYS 4 2.557 3.351 -8.008 26 HZ1 LYS 4 HZ1 LYS 4 2.053 5.182 -6.624 27 HZ2 LYS 4 HZ2 LYS 4 2.128 6.291 -7.899 28 HZ3 LYS 4 HZ3 LYS 4 3.541 5.548 -7.340 29 H GLY 5 H GLY 5 -0.315 3.562 -12.023 30 HA2 GLY 5 HA2 GLY 5 -1.453 1.335 -13.678 31 HA3 GLY 5 HA3 GLY 5 -2.334 2.800 -13.202 32 H PHE 6 H PHE 6 -2.684 2.504 -15.674 33 HA PHE 6 HA PHE 6 -0.512 3.299 -17.400 34 HB2 PHE 6 HB2 PHE 6 -2.369 2.046 -18.312 35 HB3 PHE 6 HB3 PHE 6 -3.529 3.285 -17.787 36 HD1 PHE 6 HD2 PHE 6 -0.964 2.403 -20.248 37 HD2 PHE 6 HD1 PHE 6 -3.766 5.354 -19.006 38 HE1 PHE 6 HE2 PHE 6 -0.736 3.527 -22.424 39 HE2 PHE 6 HE1 PHE 6 -3.545 6.483 -21.180 40 HZ PHE 6 HZ PHE 6 -2.029 5.570 -22.894 41 H GLY 7 H GLY 7 0.159 5.250 -18.094 42 HA2 GLY 7 HA2 GLY 7 0.023 7.574 -18.478 43 HA3 GLY 7 HA3 GLY 7 -1.529 7.620 -17.622 44 H LYS 8 H LYS 8 0.824 5.893 -15.894 45 HA LYS 8 HA LYS 8 1.185 8.252 -14.108 46 HB2 LYS 8 HB2 LYS 8 1.338 5.261 -13.639 47 HB3 LYS 8 HB3 LYS 8 1.932 6.438 -12.453 48 HG2 LYS 8 HG2 LYS 8 -0.861 6.698 -13.510 49 HG3 LYS 8 HG3 LYS 8 -0.493 5.464 -12.280 50 HD2 LYS 8 HD2 LYS 8 -1.035 7.224 -10.914 51 HD3 LYS 8 HD3 LYS 8 0.712 7.516 -11.100 52 HE2 LYS 8 HE2 LYS 8 0.399 9.315 -12.510 53 HE3 LYS 8 HE3 LYS 8 -1.187 8.734 -13.072 54 HZ1 LYS 8 HZ1 LYS 8 -2.244 9.589 -11.244 55 HZ2 LYS 8 HZ2 LYS 8 -1.021 10.740 -11.442 56 HZ3 LYS 8 HZ3 LYS 8 -0.870 9.542 -10.258 57 H SER 9 H SER 9 3.240 8.643 -13.111 58 HA SER 9 HA SER 9 5.439 8.098 -15.006 59 HB2 SER 9 HB2 SER 9 6.511 9.942 -14.093 60 HB3 SER 9 HB3 SER 9 4.812 10.372 -13.785 61 HG SER 9 HG SER 9 5.719 8.854 -11.753 62 H CYS 10 H CYS 10 7.041 6.696 -14.707 63 HA CYS 10 HA CYS 10 7.634 5.756 -11.962 64 HB2 CYS 10 HB2 CYS 10 7.420 3.422 -12.499 65 HB3 CYS 10 HB3 CYS 10 5.894 4.213 -12.950 66 H VAL 11 H VAL 11 9.583 4.271 -11.966 67 HA VAL 11 HA VAL 11 11.561 5.445 -13.850 68 HB VAL 11 HB VAL 11 12.003 3.815 -11.324 69 HG11 VAL 11 HG11 VAL 11 13.973 5.421 -12.978 70 HG12 VAL 11 HG12 VAL 11 14.328 4.481 -11.508 71 HG13 VAL 11 HG13 VAL 11 13.826 3.648 -12.999 72 HG21 VAL 11 HG21 VAL 11 11.722 5.692 -10.159 73 HG22 VAL 11 HG22 VAL 11 12.921 6.534 -11.171 74 HG23 VAL 11 HG23 VAL 11 11.207 6.517 -11.650 75 HA PRO 12 HA PRO 12 11.706 1.678 -16.182 76 HB2 PRO 12 HB2 PRO 12 14.011 2.207 -17.540 77 HB3 PRO 12 HB3 PRO 12 12.455 2.988 -17.924 78 HG2 PRO 12 HG2 PRO 12 14.774 4.032 -16.310 79 HG3 PRO 12 HG3 PRO 12 13.775 4.872 -17.535 80 HD2 PRO 12 HD2 PRO 12 13.393 5.191 -14.859 81 HD3 PRO 12 HD3 PRO 12 12.052 5.271 -16.044 82 H GLY 13 H GLY 13 12.333 -0.272 -15.534 83 HA2 GLY 13 HA2 GLY 13 14.210 -1.815 -15.197 84 HA3 GLY 13 HA3 GLY 13 15.085 -0.511 -14.373 85 H LYS 14 H LYS 14 12.375 0.190 -13.065 86 HA LYS 14 HA LYS 14 12.747 -1.728 -10.826 87 HB2 LYS 14 HB2 LYS 14 11.666 1.065 -11.079 88 HB3 LYS 14 HB3 LYS 14 11.120 0.051 -9.730 89 HG2 LYS 14 HG2 LYS 14 13.140 0.097 -8.687 90 HG3 LYS 14 HG3 LYS 14 14.051 0.203 -10.214 91 HD2 LYS 14 HD2 LYS 14 14.254 2.282 -8.956 92 HD3 LYS 14 HD3 LYS 14 13.339 2.552 -10.461 93 HE2 LYS 14 HE2 LYS 14 11.284 2.699 -9.313 94 HE3 LYS 14 HE3 LYS 14 11.962 1.975 -7.836 95 HZ1 LYS 14 HZ1 LYS 14 11.643 4.621 -8.256 96 HZ2 LYS 14 HZ2 LYS 14 13.270 4.415 -8.669 97 HZ3 LYS 14 HZ3 LYS 14 12.720 3.947 -7.139 98 H ASN 15 H ASN 15 10.913 -2.622 -9.713 99 HA ASN 15 HA ASN 15 8.785 -3.344 -11.637 100 HB2 ASN 15 HB2 ASN 15 10.113 -4.987 -10.110 101 HB3 ASN 15 HB3 ASN 15 9.035 -4.413 -8.818 102 HD21 ASN 15 HD21 ASN 15 9.221 -6.040 -11.934 103 HD22 ASN 15 HD22 ASN 15 7.625 -6.861 -11.803 104 H GLU 16 H GLU 16 8.002 -1.043 -11.484 105 HA GLU 16 HA GLU 16 6.335 -0.650 -9.038 106 HB2 GLU 16 HB2 GLU 16 7.074 1.343 -11.215 107 HB3 GLU 16 HB3 GLU 16 6.182 1.699 -9.722 108 HG2 GLU 16 HG2 GLU 16 8.984 0.574 -9.719 109 HG3 GLU 16 HG3 GLU 16 8.641 2.321 -9.766 110 H CYS 17 H CYS 17 6.234 -0.518 -12.610 111 HA CYS 17 HA CYS 17 3.512 0.088 -12.925 112 HB2 CYS 17 HB2 CYS 17 5.522 -1.447 -14.553 113 HB3 CYS 17 HB3 CYS 17 3.818 -1.465 -15.053 114 H CYS 18 H CYS 18 1.654 -1.189 -13.370 115 HA CYS 18 HA CYS 18 1.419 -3.442 -11.554 116 HB2 CYS 18 HB2 CYS 18 -0.363 -1.777 -13.212 117 HB3 CYS 18 HB3 CYS 18 -0.873 -3.475 -13.101 118 H SER 19 H SER 19 -0.021 -5.369 -12.548 119 HA SER 19 HA SER 19 1.840 -6.787 -14.257 120 HB2 SER 19 HB2 SER 19 -0.101 -7.520 -12.426 121 HB3 SER 19 HB3 SER 19 -0.853 -7.959 -13.978 122 HG SER 19 HG SER 19 0.440 -9.664 -13.100 123 H GLY 20 H GLY 20 1.796 -7.201 -16.391 124 HA2 GLY 20 HA2 GLY 20 0.706 -7.442 -18.509 125 HA3 GLY 20 HA3 GLY 20 -0.668 -6.498 -17.900 126 H TYR 21 H TYR 21 1.451 -4.562 -16.751 127 HA TYR 21 HA TYR 21 1.613 -2.973 -19.252 128 HB2 TYR 21 HB2 TYR 21 2.054 -2.198 -16.343 129 HB3 TYR 21 HB3 TYR 21 2.138 -1.080 -17.721 130 HD1 TYR 21 HD2 TYR 21 -0.063 -1.284 -19.303 131 HD2 TYR 21 HD1 TYR 21 0.095 -2.157 -15.143 132 HE1 TYR 21 HE2 TYR 21 -2.485 -0.884 -19.135 133 HE2 TYR 21 HE1 TYR 21 -2.326 -1.761 -14.961 134 HH TYR 21 HH TYR 21 -4.220 -0.610 -17.742 135 H ALA 22 H ALA 22 3.629 -1.370 -19.131 136 HA ALA 22 HA ALA 22 6.068 -2.795 -18.281 137 HB1 ALA 22 HB1 ALA 22 6.448 -1.935 -21.017 138 HB2 ALA 22 HB2 ALA 22 6.730 -3.530 -20.277 139 HB3 ALA 22 HB3 ALA 22 5.117 -3.112 -20.904 140 H CYS 23 H CYS 23 7.365 -1.363 -17.371 141 HA CYS 23 HA CYS 23 6.864 1.448 -17.503 142 HB2 CYS 23 HB2 CYS 23 8.176 -0.067 -15.756 143 HB3 CYS 23 HB3 CYS 23 9.576 0.396 -16.747 144 H ASN 24 H ASN 24 6.901 2.323 -19.522 145 HA ASN 24 HA ASN 24 9.023 1.739 -21.407 146 HB2 ASN 24 HB2 ASN 24 6.557 2.635 -21.770 147 HB3 ASN 24 HB3 ASN 24 7.334 4.224 -21.593 148 HD21 ASN 24 HD21 ASN 24 6.072 3.593 -23.909 149 HD22 ASN 24 HD22 ASN 24 7.289 3.342 -25.208 150 H SER 25 H SER 25 11.051 2.268 -20.874 151 HA SER 25 HA SER 25 11.788 4.459 -19.222 152 HB2 SER 25 HB2 SER 25 13.990 3.862 -19.676 153 HB3 SER 25 HB3 SER 25 13.137 2.353 -20.075 154 HG SER 25 HG SER 25 14.644 2.984 -21.711 155 H ARG 26 H ARG 26 10.861 4.315 -22.551 156 HA ARG 26 HA ARG 26 12.239 6.476 -23.673 157 HB2 ARG 26 HB2 ARG 26 10.679 4.973 -24.892 158 HB3 ARG 26 HB3 ARG 26 9.310 5.768 -24.088 159 HG2 ARG 26 HG2 ARG 26 9.927 7.896 -25.153 160 HG3 ARG 26 HG3 ARG 26 11.284 7.082 -25.974 161 HD2 ARG 26 HD2 ARG 26 9.384 5.447 -26.794 162 HD3 ARG 26 HD3 ARG 26 8.330 6.836 -26.436 163 HE ARG 26 HE ARG 26 10.518 7.768 -27.978 164 HH11 ARG 26 HH11 ARG 26 7.704 5.654 -28.263 165 HH12 ARG 26 HH12 ARG 26 7.511 5.942 -29.996 166 HH21 ARG 26 HH21 ARG 26 10.263 8.135 -30.214 167 HH22 ARG 26 HH22 ARG 26 8.955 7.340 -31.095 168 H ASP 27 H ASP 27 9.010 6.616 -22.096 169 HA ASP 27 HA ASP 27 9.547 9.516 -21.598 170 HB2 ASP 27 HB2 ASP 27 7.481 8.565 -23.003 171 HB3 ASP 27 HB3 ASP 27 6.785 8.370 -21.379 172 H LYS 28 H LYS 28 10.046 6.804 -20.065 173 HA LYS 28 HA LYS 28 9.997 6.095 -17.878 174 HB2 LYS 28 HB2 LYS 28 10.099 9.099 -17.637 175 HB3 LYS 28 HB3 LYS 28 9.993 8.095 -16.178 176 HG2 LYS 28 HG2 LYS 28 12.109 7.293 -16.400 177 HG3 LYS 28 HG3 LYS 28 12.070 7.367 -18.180 178 HD2 LYS 28 HD2 LYS 28 12.024 9.954 -17.804 179 HD3 LYS 28 HD3 LYS 28 12.653 9.546 -16.189 180 HE2 LYS 28 HE2 LYS 28 14.636 9.767 -17.299 181 HE3 LYS 28 HE3 LYS 28 14.318 8.048 -17.633 182 HZ1 LYS 28 HZ1 LYS 28 13.707 8.500 -19.798 183 HZ2 LYS 28 HZ2 LYS 28 14.955 9.618 -19.563 184 HZ3 LYS 28 HZ3 LYS 28 13.342 10.123 -19.494 185 H TRP 29 H TRP 29 7.650 5.541 -18.816 186 HA TRP 29 HA TRP 29 5.853 6.173 -16.558 187 HB2 TRP 29 HB2 TRP 29 4.015 6.904 -17.907 188 HB3 TRP 29 HB3 TRP 29 5.423 7.871 -18.397 189 HD1 TRP 29 HD1 TRP 29 6.790 6.005 -20.482 190 HE1 TRP 29 HE1 TRP 29 5.657 5.440 -22.749 191 HE3 TRP 29 HE3 TRP 29 1.949 7.000 -19.170 192 HZ2 TRP 29 HZ2 TRP 29 3.024 5.439 -23.782 193 HZ3 TRP 29 HZ3 TRP 29 0.183 6.691 -20.855 194 HH2 TRP 29 HH2 TRP 29 0.711 5.929 -23.113 195 H CYS 30 H CYS 30 3.544 5.014 -17.388 196 HA CYS 30 HA CYS 30 4.435 2.198 -17.830 197 HB2 CYS 30 HB2 CYS 30 1.963 3.348 -16.482 198 HB3 CYS 30 HB3 CYS 30 2.202 1.617 -16.801 199 H LYS 31 H LYS 31 3.232 0.811 -19.189 200 HA LYS 31 HA LYS 31 1.136 1.974 -20.878 201 HB2 LYS 31 HB2 LYS 31 2.397 1.382 -22.999 202 HB3 LYS 31 HB3 LYS 31 2.987 2.811 -22.127 203 HG2 LYS 31 HG2 LYS 31 4.883 1.669 -21.314 204 HG3 LYS 31 HG3 LYS 31 4.214 0.080 -21.758 205 HD2 LYS 31 HD2 LYS 31 4.652 2.131 -23.902 206 HD3 LYS 31 HD3 LYS 31 6.052 1.244 -23.251 207 HE2 LYS 31 HE2 LYS 31 5.443 -0.139 -24.986 208 HE3 LYS 31 HE3 LYS 31 4.506 -0.852 -23.651 209 HZ1 LYS 31 HZ1 LYS 31 3.096 1.256 -25.003 210 HZ2 LYS 31 HZ2 LYS 31 2.599 -0.321 -24.644 211 HZ3 LYS 31 HZ3 LYS 31 3.500 -0.017 -26.042 212 H VAL 32 H VAL 32 0.246 0.376 -22.424 213 HA VAL 32 HA VAL 32 0.074 -2.218 -21.095 214 HB VAL 32 HB VAL 32 -1.168 -1.297 -23.710 215 HG11 VAL 32 HG11 VAL 32 -1.591 -3.712 -21.947 216 HG12 VAL 32 HG12 VAL 32 -2.839 -3.136 -23.079 217 HG13 VAL 32 HG13 VAL 32 -1.249 -3.651 -23.693 218 HG21 VAL 32 HG21 VAL 32 -1.718 -0.561 -20.985 219 HG22 VAL 32 HG22 VAL 32 -2.523 -0.027 -22.480 220 HG23 VAL 32 HG23 VAL 32 -3.090 -1.490 -21.640 221 H LEU 33 H LEU 33 1.297 -3.929 -21.468 222 HA LEU 33 HA LEU 33 3.433 -3.992 -23.275 223 HB2 LEU 33 HB2 LEU 33 1.835 -6.103 -21.861 224 HB3 LEU 33 HB3 LEU 33 3.057 -6.589 -23.059 225 HG LEU 33 HG LEU 33 3.780 -4.755 -20.779 226 HD11 LEU 33 HD11 LEU 33 3.271 -6.361 -19.313 227 HD12 LEU 33 HD12 LEU 33 4.614 -7.288 -20.025 228 HD13 LEU 33 HD13 LEU 33 2.949 -7.548 -20.601 229 HD21 LEU 33 HD21 LEU 33 5.243 -5.281 -22.851 230 HD22 LEU 33 HD22 LEU 33 5.468 -6.875 -22.093 231 HD23 LEU 33 HD23 LEU 33 5.973 -5.400 -21.232 232 H LEU 34 H LEU 34 3.800 -4.762 -25.319 233 HA LEU 34 HA LEU 34 1.762 -4.472 -27.232 234 HB2 LEU 34 HB2 LEU 34 3.283 -5.425 -28.815 235 HB3 LEU 34 HB3 LEU 34 4.215 -4.449 -27.657 236 HG LEU 34 HG LEU 34 3.979 -7.408 -27.222 237 HD11 LEU 34 HD11 LEU 34 6.225 -7.449 -28.566 238 HD12 LEU 34 HD12 LEU 34 5.533 -6.028 -29.383 239 HD13 LEU 34 HD13 LEU 34 4.666 -7.582 -29.417 240 HD21 LEU 34 HD21 LEU 34 6.555 -6.563 -26.725 241 HD22 LEU 34 HD22 LEU 34 5.261 -6.731 -25.514 242 HD23 LEU 34 HD23 LEU 34 5.579 -5.147 -26.262 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.902 -3.673 -0.291 2 HA ALA 1 HA ALA 1 1.813 -4.094 -2.622 3 HB1 ALA 1 HB1 ALA 1 0.544 -5.645 -1.484 4 HB2 ALA 1 HB2 ALA 1 -0.612 -4.428 -0.889 5 HB3 ALA 1 HB3 ALA 1 -0.668 -4.952 -2.590 6 H GLU 2 H GLU 2 2.124 -2.035 -3.718 7 HA GLU 2 HA GLU 2 -0.420 -1.188 -4.996 8 HB2 GLU 2 HB2 GLU 2 -0.022 0.466 -3.239 9 HB3 GLU 2 HB3 GLU 2 1.638 0.713 -3.814 10 HG2 GLU 2 HG2 GLU 2 0.296 2.537 -4.575 11 HG3 GLU 2 HG3 GLU 2 0.710 1.525 -5.979 12 H CYS 3 H CYS 3 -0.240 -0.524 -7.118 13 HA CYS 3 HA CYS 3 2.512 -0.680 -8.276 14 HB2 CYS 3 HB2 CYS 3 1.404 -1.745 -10.305 15 HB3 CYS 3 HB3 CYS 3 1.501 -2.764 -8.853 16 H LYS 4 H LYS 4 2.377 0.091 -10.699 17 HA LYS 4 HA LYS 4 0.945 2.709 -10.596 18 HB2 LYS 4 HB2 LYS 4 3.399 1.811 -12.150 19 HB3 LYS 4 HB3 LYS 4 2.606 3.383 -12.368 20 HG2 LYS 4 HG2 LYS 4 3.462 2.567 -9.620 21 HG3 LYS 4 HG3 LYS 4 4.691 3.111 -10.787 22 HD2 LYS 4 HD2 LYS 4 3.774 5.250 -10.949 23 HD3 LYS 4 HD3 LYS 4 2.185 4.721 -10.344 24 HE2 LYS 4 HE2 LYS 4 4.726 4.814 -8.691 25 HE3 LYS 4 HE3 LYS 4 3.481 6.085 -8.708 26 HZ1 LYS 4 HZ1 LYS 4 2.440 4.943 -7.136 27 HZ2 LYS 4 HZ2 LYS 4 3.530 3.655 -7.249 28 HZ3 LYS 4 HZ3 LYS 4 2.160 3.692 -8.240 29 H GLY 5 H GLY 5 -0.828 2.896 -11.777 30 HA2 GLY 5 HA2 GLY 5 -1.489 0.902 -13.790 31 HA3 GLY 5 HA3 GLY 5 -2.433 2.344 -13.372 32 H PHE 6 H PHE 6 -2.898 2.749 -15.557 33 HA PHE 6 HA PHE 6 -0.626 3.269 -17.360 34 HB2 PHE 6 HB2 PHE 6 -2.538 2.173 -18.337 35 HB3 PHE 6 HB3 PHE 6 -3.641 3.422 -17.716 36 HD1 PHE 6 HD1 PHE 6 -3.791 5.583 -18.789 37 HD2 PHE 6 HD2 PHE 6 -1.159 2.589 -20.273 38 HE1 PHE 6 HE1 PHE 6 -3.549 6.842 -20.889 39 HE2 PHE 6 HE2 PHE 6 -0.910 3.842 -22.375 40 HZ PHE 6 HZ PHE 6 -2.107 5.972 -22.686 41 H GLY 7 H GLY 7 0.168 5.206 -17.941 42 HA2 GLY 7 HA2 GLY 7 0.170 7.550 -18.210 43 HA3 GLY 7 HA3 GLY 7 -1.385 7.646 -17.363 44 H LYS 8 H LYS 8 0.852 5.701 -15.709 45 HA LYS 8 HA LYS 8 1.239 7.887 -13.738 46 HB2 LYS 8 HB2 LYS 8 1.646 4.879 -13.579 47 HB3 LYS 8 HB3 LYS 8 2.042 6.002 -12.262 48 HG2 LYS 8 HG2 LYS 8 -0.708 6.139 -13.397 49 HG3 LYS 8 HG3 LYS 8 -0.289 4.716 -12.413 50 HD2 LYS 8 HD2 LYS 8 -1.002 6.096 -10.742 51 HD3 LYS 8 HD3 LYS 8 0.701 6.612 -10.811 52 HE2 LYS 8 HE2 LYS 8 -1.053 8.025 -12.701 53 HE3 LYS 8 HE3 LYS 8 -1.487 8.271 -10.991 54 HZ1 LYS 8 HZ1 LYS 8 1.345 8.492 -11.680 55 HZ2 LYS 8 HZ2 LYS 8 0.422 9.388 -10.581 56 HZ3 LYS 8 HZ3 LYS 8 0.333 9.730 -12.236 57 H SER 9 H SER 9 3.220 8.573 -13.000 58 HA SER 9 HA SER 9 5.429 8.130 -14.888 59 HB2 SER 9 HB2 SER 9 6.589 9.868 -13.505 60 HB3 SER 9 HB3 SER 9 5.008 10.403 -14.124 61 HG SER 9 HG SER 9 5.245 9.209 -11.554 62 H CYS 10 H CYS 10 6.658 6.389 -14.684 63 HA CYS 10 HA CYS 10 7.513 5.643 -11.915 64 HB2 CYS 10 HB2 CYS 10 7.438 3.313 -12.498 65 HB3 CYS 10 HB3 CYS 10 5.874 4.023 -12.954 66 H VAL 11 H VAL 11 9.538 4.239 -11.959 67 HA VAL 11 HA VAL 11 11.458 5.574 -13.801 68 HB VAL 11 HB VAL 11 11.981 3.946 -11.289 69 HG11 VAL 11 HG11 VAL 11 13.822 3.904 -12.951 70 HG12 VAL 11 HG12 VAL 11 13.866 5.684 -12.912 71 HG13 VAL 11 HG13 VAL 11 14.264 4.751 -11.450 72 HG21 VAL 11 HG21 VAL 11 10.785 6.121 -10.940 73 HG22 VAL 11 HG22 VAL 11 12.389 6.036 -10.174 74 HG23 VAL 11 HG23 VAL 11 12.174 6.946 -11.688 75 HA PRO 12 HA PRO 12 11.843 1.849 -16.172 76 HB2 PRO 12 HB2 PRO 12 14.122 2.531 -17.508 77 HB3 PRO 12 HB3 PRO 12 12.524 3.222 -17.895 78 HG2 PRO 12 HG2 PRO 12 14.765 4.384 -16.253 79 HG3 PRO 12 HG3 PRO 12 13.726 5.178 -17.476 80 HD2 PRO 12 HD2 PRO 12 13.310 5.442 -14.800 81 HD3 PRO 12 HD3 PRO 12 11.973 5.456 -15.993 82 H GLY 13 H GLY 13 12.617 -0.077 -15.607 83 HA2 GLY 13 HA2 GLY 13 14.597 -1.485 -15.267 84 HA3 GLY 13 HA3 GLY 13 15.346 -0.149 -14.372 85 H LYS 14 H LYS 14 12.561 0.302 -13.119 86 HA LYS 14 HA LYS 14 13.025 -1.650 -10.929 87 HB2 LYS 14 HB2 LYS 14 11.610 1.010 -11.136 88 HB3 LYS 14 HB3 LYS 14 11.269 -0.090 -9.784 89 HG2 LYS 14 HG2 LYS 14 13.355 0.172 -8.860 90 HG3 LYS 14 HG3 LYS 14 14.116 0.576 -10.418 91 HD2 LYS 14 HD2 LYS 14 13.433 2.785 -10.334 92 HD3 LYS 14 HD3 LYS 14 12.061 2.429 -9.256 93 HE2 LYS 14 HE2 LYS 14 13.862 3.667 -8.108 94 HE3 LYS 14 HE3 LYS 14 13.579 2.063 -7.392 95 HZ1 LYS 14 HZ1 LYS 14 15.567 2.032 -9.468 96 HZ2 LYS 14 HZ2 LYS 14 15.639 1.419 -7.893 97 HZ3 LYS 14 HZ3 LYS 14 15.989 3.050 -8.184 98 H ASN 15 H ASN 15 10.815 -2.103 -9.685 99 HA ASN 15 HA ASN 15 8.931 -3.132 -11.772 100 HB2 ASN 15 HB2 ASN 15 8.389 -4.894 -9.969 101 HB3 ASN 15 HB3 ASN 15 9.946 -5.042 -10.814 102 HD21 ASN 15 HD21 ASN 15 8.391 -4.966 -7.850 103 HD22 ASN 15 HD22 ASN 15 9.834 -4.708 -6.807 104 H GLU 16 H GLU 16 8.018 -0.891 -11.449 105 HA GLU 16 HA GLU 16 6.341 -0.780 -8.983 106 HB2 GLU 16 HB2 GLU 16 6.964 1.407 -11.002 107 HB3 GLU 16 HB3 GLU 16 6.044 1.602 -9.497 108 HG2 GLU 16 HG2 GLU 16 8.820 0.506 -9.344 109 HG3 GLU 16 HG3 GLU 16 8.600 2.243 -9.661 110 H CYS 17 H CYS 17 6.267 -0.735 -12.521 111 HA CYS 17 HA CYS 17 3.542 -0.099 -12.894 112 HB2 CYS 17 HB2 CYS 17 5.517 -1.766 -14.464 113 HB3 CYS 17 HB3 CYS 17 3.832 -1.599 -15.004 114 H CYS 18 H CYS 18 1.685 -1.366 -13.274 115 HA CYS 18 HA CYS 18 1.518 -3.659 -11.471 116 HB2 CYS 18 HB2 CYS 18 -0.264 -1.735 -12.379 117 HB3 CYS 18 HB3 CYS 18 -0.782 -3.195 -13.248 118 H SER 19 H SER 19 -0.223 -5.393 -12.583 119 HA SER 19 HA SER 19 1.522 -6.893 -14.351 120 HB2 SER 19 HB2 SER 19 0.350 -8.367 -13.035 121 HB3 SER 19 HB3 SER 19 -1.099 -7.335 -12.981 122 HG SER 19 HG SER 19 -1.417 -9.257 -14.227 123 H GLY 20 H GLY 20 1.513 -7.083 -16.505 124 HA2 GLY 20 HA2 GLY 20 0.439 -7.120 -18.645 125 HA3 GLY 20 HA3 GLY 20 -0.894 -6.153 -17.986 126 H TYR 21 H TYR 21 1.193 -4.361 -16.666 127 HA TYR 21 HA TYR 21 1.493 -2.613 -19.031 128 HB2 TYR 21 HB2 TYR 21 1.952 -2.127 -16.064 129 HB3 TYR 21 HB3 TYR 21 2.161 -0.898 -17.329 130 HD1 TYR 21 HD2 TYR 21 -0.104 -1.163 -19.047 131 HD2 TYR 21 HD1 TYR 21 0.069 -1.647 -14.825 132 HE1 TYR 21 HE2 TYR 21 -2.490 -0.588 -18.890 133 HE2 TYR 21 HE1 TYR 21 -2.316 -1.075 -14.655 134 HH TYR 21 HH TYR 21 -4.236 -0.290 -17.566 135 H ALA 22 H ALA 22 3.577 -1.170 -18.911 136 HA ALA 22 HA ALA 22 5.959 -2.708 -18.112 137 HB1 ALA 22 HB1 ALA 22 4.951 -2.912 -20.756 138 HB2 ALA 22 HB2 ALA 22 6.417 -1.905 -20.826 139 HB3 ALA 22 HB3 ALA 22 6.489 -3.532 -20.107 140 H CYS 23 H CYS 23 7.452 -1.370 -17.350 141 HA CYS 23 HA CYS 23 7.035 1.478 -17.445 142 HB2 CYS 23 HB2 CYS 23 8.419 -0.216 -15.806 143 HB3 CYS 23 HB3 CYS 23 9.748 0.491 -16.747 144 H ASN 24 H ASN 24 7.055 2.291 -19.500 145 HA ASN 24 HA ASN 24 9.178 1.616 -21.369 146 HB2 ASN 24 HB2 ASN 24 6.708 2.457 -21.793 147 HB3 ASN 24 HB3 ASN 24 7.451 4.067 -21.664 148 HD21 ASN 24 HD21 ASN 24 6.390 3.799 -23.949 149 HD22 ASN 24 HD22 ASN 24 7.561 3.343 -25.235 150 H SER 25 H SER 25 11.200 2.219 -20.944 151 HA SER 25 HA SER 25 11.930 4.448 -19.341 152 HB2 SER 25 HB2 SER 25 14.133 3.893 -19.841 153 HB3 SER 25 HB3 SER 25 13.303 2.359 -20.198 154 HG SER 25 HG SER 25 14.755 3.000 -21.881 155 H ARG 26 H ARG 26 10.887 4.246 -22.623 156 HA ARG 26 HA ARG 26 12.195 6.401 -23.836 157 HB2 ARG 26 HB2 ARG 26 9.397 5.296 -24.099 158 HB3 ARG 26 HB3 ARG 26 9.909 6.704 -25.050 159 HG2 ARG 26 HG2 ARG 26 11.947 5.120 -25.649 160 HG3 ARG 26 HG3 ARG 26 10.769 3.850 -25.231 161 HD2 ARG 26 HD2 ARG 26 10.344 4.103 -27.477 162 HD3 ARG 26 HD3 ARG 26 9.178 5.259 -26.790 163 HE ARG 26 HE ARG 26 10.315 6.980 -27.813 164 HH11 ARG 26 HH11 ARG 26 12.386 4.126 -27.617 165 HH12 ARG 26 HH12 ARG 26 13.678 4.848 -28.583 166 HH21 ARG 26 HH21 ARG 26 11.986 7.904 -29.059 167 HH22 ARG 26 HH22 ARG 26 13.454 6.978 -29.395 168 H ASP 27 H ASP 27 9.028 6.543 -22.142 169 HA ASP 27 HA ASP 27 9.580 9.446 -21.677 170 HB2 ASP 27 HB2 ASP 27 7.446 8.393 -23.004 171 HB3 ASP 27 HB3 ASP 27 6.806 8.428 -21.345 172 H LYS 28 H LYS 28 10.099 6.747 -20.144 173 HA LYS 28 HA LYS 28 10.080 6.043 -17.954 174 HB2 LYS 28 HB2 LYS 28 10.081 9.055 -17.635 175 HB3 LYS 28 HB3 LYS 28 10.181 7.963 -16.241 176 HG2 LYS 28 HG2 LYS 28 12.299 7.259 -16.762 177 HG3 LYS 28 HG3 LYS 28 12.095 7.571 -18.503 178 HD2 LYS 28 HD2 LYS 28 13.415 9.359 -18.044 179 HD3 LYS 28 HD3 LYS 28 11.867 10.088 -17.550 180 HE2 LYS 28 HE2 LYS 28 12.289 9.680 -15.257 181 HE3 LYS 28 HE3 LYS 28 13.625 8.562 -15.622 182 HZ1 LYS 28 HZ1 LYS 28 14.298 10.971 -16.801 183 HZ2 LYS 28 HZ2 LYS 28 14.980 10.290 -15.411 184 HZ3 LYS 28 HZ3 LYS 28 13.695 11.382 -15.275 185 H TRP 29 H TRP 29 7.717 5.494 -18.876 186 HA TRP 29 HA TRP 29 5.949 6.103 -16.589 187 HB2 TRP 29 HB2 TRP 29 4.094 6.851 -17.907 188 HB3 TRP 29 HB3 TRP 29 5.497 7.826 -18.397 189 HD1 TRP 29 HD1 TRP 29 6.842 5.997 -20.526 190 HE1 TRP 29 HE1 TRP 29 5.686 5.465 -22.789 191 HE3 TRP 29 HE3 TRP 29 2.015 6.963 -19.148 192 HZ2 TRP 29 HZ2 TRP 29 3.042 5.477 -23.794 193 HZ3 TRP 29 HZ3 TRP 29 0.231 6.679 -20.818 194 HH2 TRP 29 HH2 TRP 29 0.736 5.952 -23.094 195 H CYS 30 H CYS 30 3.627 4.959 -17.404 196 HA CYS 30 HA CYS 30 4.508 2.151 -17.915 197 HB2 CYS 30 HB2 CYS 30 2.195 3.340 -16.363 198 HB3 CYS 30 HB3 CYS 30 2.183 1.643 -16.887 199 H LYS 31 H LYS 31 3.243 0.785 -19.251 200 HA LYS 31 HA LYS 31 1.102 1.986 -20.853 201 HB2 LYS 31 HB2 LYS 31 2.281 1.453 -23.024 202 HB3 LYS 31 HB3 LYS 31 2.938 2.838 -22.132 203 HG2 LYS 31 HG2 LYS 31 4.879 1.726 -21.559 204 HG3 LYS 31 HG3 LYS 31 4.139 0.117 -21.742 205 HD2 LYS 31 HD2 LYS 31 3.902 0.994 -24.273 206 HD3 LYS 31 HD3 LYS 31 5.338 1.926 -23.781 207 HE2 LYS 31 HE2 LYS 31 5.017 -1.080 -23.514 208 HE3 LYS 31 HE3 LYS 31 5.906 -0.254 -24.815 209 HZ1 LYS 31 HZ1 LYS 31 7.588 0.345 -23.404 210 HZ2 LYS 31 HZ2 LYS 31 7.142 -1.130 -22.707 211 HZ3 LYS 31 HZ3 LYS 31 6.618 0.324 -22.019 212 H VAL 32 H VAL 32 -0.114 0.471 -22.024 213 HA VAL 32 HA VAL 32 -0.169 -2.145 -20.857 214 HB VAL 32 HB VAL 32 -1.478 -1.152 -23.414 215 HG11 VAL 32 HG11 VAL 32 -1.377 -3.767 -22.165 216 HG12 VAL 32 HG12 VAL 32 -3.046 -3.148 -22.227 217 HG13 VAL 32 HG13 VAL 32 -2.085 -3.276 -23.720 218 HG21 VAL 32 HG21 VAL 32 -2.781 -1.466 -20.709 219 HG22 VAL 32 HG22 VAL 32 -1.966 0.042 -21.187 220 HG23 VAL 32 HG23 VAL 32 -3.353 -0.555 -22.127 221 H LEU 33 H LEU 33 1.139 -3.794 -21.210 222 HA LEU 33 HA LEU 33 3.146 -3.893 -23.159 223 HB2 LEU 33 HB2 LEU 33 1.687 -6.032 -21.615 224 HB3 LEU 33 HB3 LEU 33 2.961 -6.449 -22.786 225 HG LEU 33 HG LEU 33 3.502 -4.502 -20.552 226 HD11 LEU 33 HD11 LEU 33 3.941 -7.482 -20.325 227 HD12 LEU 33 HD12 LEU 33 2.496 -6.671 -19.676 228 HD13 LEU 33 HD13 LEU 33 4.110 -6.232 -19.069 229 HD21 LEU 33 HD21 LEU 33 5.176 -6.373 -22.246 230 HD22 LEU 33 HD22 LEU 33 5.799 -5.474 -20.842 231 HD23 LEU 33 HD23 LEU 33 5.178 -4.593 -22.260 232 H LEU 34 H LEU 34 3.421 -4.957 -25.132 233 HA LEU 34 HA LEU 34 1.170 -4.798 -26.895 234 HB2 LEU 34 HB2 LEU 34 3.989 -5.773 -27.069 235 HB3 LEU 34 HB3 LEU 34 2.853 -6.267 -28.345 236 HG LEU 34 HG LEU 34 4.189 -4.291 -28.971 237 HD11 LEU 34 HD11 LEU 34 1.465 -4.693 -29.283 238 HD12 LEU 34 HD12 LEU 34 2.475 -3.541 -30.189 239 HD13 LEU 34 HD13 LEU 34 1.581 -2.998 -28.750 240 HD21 LEU 34 HD21 LEU 34 4.134 -2.262 -27.828 241 HD22 LEU 34 HD22 LEU 34 4.215 -3.460 -26.514 242 HD23 LEU 34 HD23 LEU 34 2.661 -2.694 -26.926 Start of MODEL 13 1 H1 ALA 1 H ALA 1 5.963 -3.434 -2.021 2 HA ALA 1 HA ALA 1 4.074 -4.774 -2.533 3 HB1 ALA 1 HB1 ALA 1 2.422 -3.182 -1.099 4 HB2 ALA 1 HB2 ALA 1 3.768 -4.109 -0.392 5 HB3 ALA 1 HB3 ALA 1 3.981 -2.384 -0.782 6 H GLU 2 H GLU 2 3.169 -1.312 -2.911 7 HA GLU 2 HA GLU 2 0.901 -2.065 -4.590 8 HB2 GLU 2 HB2 GLU 2 0.518 0.370 -4.751 9 HB3 GLU 2 HB3 GLU 2 0.732 -0.157 -3.071 10 HG2 GLU 2 HG2 GLU 2 2.872 0.792 -2.920 11 HG3 GLU 2 HG3 GLU 2 3.023 0.946 -4.686 12 H CYS 3 H CYS 3 0.536 -0.985 -6.723 13 HA CYS 3 HA CYS 3 3.100 -0.804 -8.250 14 HB2 CYS 3 HB2 CYS 3 1.788 -1.855 -10.173 15 HB3 CYS 3 HB3 CYS 3 2.218 -2.936 -8.831 16 H LYS 4 H LYS 4 2.572 0.081 -10.571 17 HA LYS 4 HA LYS 4 1.047 2.590 -10.092 18 HB2 LYS 4 HB2 LYS 4 3.042 1.851 -12.268 19 HB3 LYS 4 HB3 LYS 4 2.256 3.432 -12.089 20 HG2 LYS 4 HG2 LYS 4 3.946 2.211 -9.907 21 HG3 LYS 4 HG3 LYS 4 4.631 3.214 -11.208 22 HD2 LYS 4 HD2 LYS 4 2.395 4.094 -9.354 23 HD3 LYS 4 HD3 LYS 4 4.118 4.473 -9.109 24 HE2 LYS 4 HE2 LYS 4 3.885 5.326 -11.628 25 HE3 LYS 4 HE3 LYS 4 2.187 5.519 -11.131 26 HZ1 LYS 4 HZ1 LYS 4 4.338 7.215 -10.592 27 HZ2 LYS 4 HZ2 LYS 4 3.867 6.542 -9.113 28 HZ3 LYS 4 HZ3 LYS 4 2.736 7.366 -10.065 29 H GLY 5 H GLY 5 -0.076 3.527 -12.061 30 HA2 GLY 5 HA2 GLY 5 -1.593 1.294 -13.366 31 HA3 GLY 5 HA3 GLY 5 -2.273 2.882 -12.970 32 H PHE 6 H PHE 6 -2.983 2.882 -15.213 33 HA PHE 6 HA PHE 6 -0.864 3.140 -17.240 34 HB2 PHE 6 HB2 PHE 6 -2.940 1.965 -17.816 35 HB3 PHE 6 HB3 PHE 6 -3.890 3.419 -17.434 36 HD1 PHE 6 HD2 PHE 6 -1.489 1.927 -19.798 37 HD2 PHE 6 HD1 PHE 6 -4.057 5.219 -18.980 38 HE1 PHE 6 HE2 PHE 6 -1.249 2.686 -22.125 39 HE2 PHE 6 HE1 PHE 6 -3.822 5.985 -21.306 40 HZ PHE 6 HZ PHE 6 -2.417 4.717 -22.884 41 H GLY 7 H GLY 7 -0.272 4.976 -18.329 42 HA2 GLY 7 HA2 GLY 7 -0.144 7.258 -18.785 43 HA3 GLY 7 HA3 GLY 7 -1.687 7.488 -17.944 44 H LYS 8 H LYS 8 0.553 5.775 -16.055 45 HA LYS 8 HA LYS 8 1.029 8.239 -14.457 46 HB2 LYS 8 HB2 LYS 8 1.402 5.311 -13.719 47 HB3 LYS 8 HB3 LYS 8 1.592 6.693 -12.623 48 HG2 LYS 8 HG2 LYS 8 -0.994 6.061 -14.054 49 HG3 LYS 8 HG3 LYS 8 -0.580 5.424 -12.443 50 HD2 LYS 8 HD2 LYS 8 -1.711 7.305 -11.805 51 HD3 LYS 8 HD3 LYS 8 -0.084 8.007 -11.982 52 HE2 LYS 8 HE2 LYS 8 -0.638 9.167 -13.864 53 HE3 LYS 8 HE3 LYS 8 -1.794 7.931 -14.417 54 HZ1 LYS 8 HZ1 LYS 8 -2.586 9.285 -11.990 55 HZ2 LYS 8 HZ2 LYS 8 -3.479 8.954 -13.387 56 HZ3 LYS 8 HZ3 LYS 8 -2.469 10.310 -13.332 57 H SER 9 H SER 9 3.133 8.504 -13.391 58 HA SER 9 HA SER 9 5.285 7.841 -15.328 59 HB2 SER 9 HB2 SER 9 5.660 10.046 -14.952 60 HB3 SER 9 HB3 SER 9 4.739 10.038 -13.427 61 HG SER 9 HG SER 9 6.992 10.451 -13.106 62 H CYS 10 H CYS 10 7.042 6.631 -14.863 63 HA CYS 10 HA CYS 10 7.526 5.812 -12.069 64 HB2 CYS 10 HB2 CYS 10 7.389 3.449 -12.484 65 HB3 CYS 10 HB3 CYS 10 5.864 4.173 -13.037 66 H VAL 11 H VAL 11 9.491 4.290 -11.986 67 HA VAL 11 HA VAL 11 11.533 5.498 -13.768 68 HB VAL 11 HB VAL 11 11.878 3.794 -11.276 69 HG11 VAL 11 HG11 VAL 11 13.911 5.452 -12.802 70 HG12 VAL 11 HG12 VAL 11 14.208 4.467 -11.348 71 HG13 VAL 11 HG13 VAL 11 13.766 3.680 -12.882 72 HG21 VAL 11 HG21 VAL 11 10.813 5.960 -10.811 73 HG22 VAL 11 HG22 VAL 11 12.468 5.890 -10.157 74 HG23 VAL 11 HG23 VAL 11 12.140 6.794 -11.655 75 HA PRO 12 HA PRO 12 11.779 1.806 -16.206 76 HB2 PRO 12 HB2 PRO 12 14.136 2.378 -17.454 77 HB3 PRO 12 HB3 PRO 12 12.594 3.170 -17.876 78 HG2 PRO 12 HG2 PRO 12 14.843 4.166 -16.139 79 HG3 PRO 12 HG3 PRO 12 13.893 5.043 -17.377 80 HD2 PRO 12 HD2 PRO 12 13.406 5.278 -14.710 81 HD3 PRO 12 HD3 PRO 12 12.112 5.393 -15.945 82 H GLY 13 H GLY 13 12.369 -0.158 -15.562 83 HA2 GLY 13 HA2 GLY 13 14.238 -1.711 -15.208 84 HA3 GLY 13 HA3 GLY 13 15.078 -0.432 -14.313 85 H LYS 14 H LYS 14 12.314 0.230 -13.096 86 HA LYS 14 HA LYS 14 12.578 -1.787 -10.922 87 HB2 LYS 14 HB2 LYS 14 11.445 1.020 -11.040 88 HB3 LYS 14 HB3 LYS 14 11.109 -0.066 -9.679 89 HG2 LYS 14 HG2 LYS 14 12.918 1.146 -8.911 90 HG3 LYS 14 HG3 LYS 14 13.696 -0.318 -9.563 91 HD2 LYS 14 HD2 LYS 14 14.519 0.795 -11.431 92 HD3 LYS 14 HD3 LYS 14 13.311 2.097 -11.314 93 HE2 LYS 14 HE2 LYS 14 14.473 3.210 -9.657 94 HE3 LYS 14 HE3 LYS 14 15.294 1.735 -9.094 95 HZ1 LYS 14 HZ1 LYS 14 16.248 3.674 -10.871 96 HZ2 LYS 14 HZ2 LYS 14 16.061 2.242 -11.752 97 HZ3 LYS 14 HZ3 LYS 14 17.020 2.258 -10.358 98 H ASN 15 H ASN 15 10.967 -3.129 -10.332 99 HA ASN 15 HA ASN 15 8.746 -3.421 -12.196 100 HB2 ASN 15 HB2 ASN 15 9.126 -4.864 -9.551 101 HB3 ASN 15 HB3 ASN 15 8.209 -5.412 -10.970 102 HD21 ASN 15 HD21 ASN 15 9.355 -5.992 -12.884 103 HD22 ASN 15 HD22 ASN 15 11.049 -6.578 -12.756 104 H GLU 16 H GLU 16 8.088 -1.090 -11.626 105 HA GLU 16 HA GLU 16 6.437 -1.014 -9.158 106 HB2 GLU 16 HB2 GLU 16 6.883 1.234 -11.144 107 HB3 GLU 16 HB3 GLU 16 6.320 1.353 -9.466 108 HG2 GLU 16 HG2 GLU 16 8.658 0.255 -8.942 109 HG3 GLU 16 HG3 GLU 16 9.078 0.931 -10.534 110 H CYS 17 H CYS 17 6.189 -0.669 -12.698 111 HA CYS 17 HA CYS 17 3.476 -0.004 -12.898 112 HB2 CYS 17 HB2 CYS 17 5.348 -1.601 -14.646 113 HB3 CYS 17 HB3 CYS 17 3.635 -1.438 -15.089 114 H CYS 18 H CYS 18 1.563 -1.193 -13.241 115 HA CYS 18 HA CYS 18 1.365 -3.525 -11.522 116 HB2 CYS 18 HB2 CYS 18 -0.467 -1.730 -12.991 117 HB3 CYS 18 HB3 CYS 18 -1.027 -3.412 -12.886 118 H SER 19 H SER 19 -0.194 -5.357 -12.492 119 HA SER 19 HA SER 19 1.479 -6.832 -14.285 120 HB2 SER 19 HB2 SER 19 0.141 -8.111 -12.809 121 HB3 SER 19 HB3 SER 19 -1.340 -7.227 -13.246 122 HG SER 19 HG SER 19 -1.231 -9.321 -14.219 123 H GLY 20 H GLY 20 1.521 -7.063 -16.438 124 HA2 GLY 20 HA2 GLY 20 0.557 -7.056 -18.619 125 HA3 GLY 20 HA3 GLY 20 -0.804 -6.096 -18.010 126 H TYR 21 H TYR 21 1.260 -4.324 -16.598 127 HA TYR 21 HA TYR 21 1.714 -2.608 -18.982 128 HB2 TYR 21 HB2 TYR 21 1.837 -1.983 -16.006 129 HB3 TYR 21 HB3 TYR 21 2.093 -0.803 -17.310 130 HD1 TYR 21 HD2 TYR 21 0.007 -1.283 -19.200 131 HD2 TYR 21 HD1 TYR 21 -0.171 -1.557 -14.960 132 HE1 TYR 21 HE2 TYR 21 -2.412 -0.840 -19.280 133 HE2 TYR 21 HE1 TYR 21 -2.590 -1.116 -15.025 134 HH TYR 21 HH TYR 21 -4.240 -0.353 -18.080 135 H ALA 22 H ALA 22 3.730 -1.180 -18.836 136 HA ALA 22 HA ALA 22 6.037 -2.603 -17.644 137 HB1 ALA 22 HB1 ALA 22 6.656 -3.560 -19.556 138 HB2 ALA 22 HB2 ALA 22 5.356 -2.736 -20.452 139 HB3 ALA 22 HB3 ALA 22 6.929 -1.932 -20.221 140 H CYS 23 H CYS 23 7.771 -1.305 -17.173 141 HA CYS 23 HA CYS 23 7.199 1.555 -17.135 142 HB2 CYS 23 HB2 CYS 23 9.063 -0.300 -15.852 143 HB3 CYS 23 HB3 CYS 23 9.863 1.204 -16.355 144 H ASN 24 H ASN 24 7.151 2.264 -19.258 145 HA ASN 24 HA ASN 24 9.300 1.693 -21.106 146 HB2 ASN 24 HB2 ASN 24 6.775 2.570 -21.428 147 HB3 ASN 24 HB3 ASN 24 7.614 4.138 -21.466 148 HD21 ASN 24 HD21 ASN 24 8.408 0.865 -22.662 149 HD22 ASN 24 HD22 ASN 24 8.698 1.385 -24.359 150 H SER 25 H SER 25 11.309 2.375 -20.806 151 HA SER 25 HA SER 25 11.983 4.632 -19.174 152 HB2 SER 25 HB2 SER 25 14.249 4.213 -19.813 153 HB3 SER 25 HB3 SER 25 13.454 2.622 -19.751 154 HG SER 25 HG SER 25 14.739 2.904 -21.652 155 H ARG 26 H ARG 26 11.010 4.319 -22.472 156 HA ARG 26 HA ARG 26 12.301 6.468 -23.712 157 HB2 ARG 26 HB2 ARG 26 9.391 5.644 -24.037 158 HB3 ARG 26 HB3 ARG 26 10.341 6.599 -25.194 159 HG2 ARG 26 HG2 ARG 26 11.354 3.905 -24.378 160 HG3 ARG 26 HG3 ARG 26 9.984 4.009 -25.512 161 HD2 ARG 26 HD2 ARG 26 11.249 5.129 -27.128 162 HD3 ARG 26 HD3 ARG 26 12.485 5.630 -25.950 163 HE ARG 26 HE ARG 26 13.583 3.618 -26.253 164 HH11 ARG 26 HH11 ARG 26 10.318 3.446 -27.586 165 HH12 ARG 26 HH12 ARG 26 10.584 1.877 -28.354 166 HH21 ARG 26 HH21 ARG 26 13.919 1.595 -27.248 167 HH22 ARG 26 HH22 ARG 26 12.614 0.832 -28.164 168 H ASP 27 H ASP 27 9.092 6.586 -22.096 169 HA ASP 27 HA ASP 27 9.580 9.509 -21.682 170 HB2 ASP 27 HB2 ASP 27 7.526 8.438 -23.081 171 HB3 ASP 27 HB3 ASP 27 6.813 8.416 -21.451 172 H LYS 28 H LYS 28 10.077 6.844 -20.079 173 HA LYS 28 HA LYS 28 9.988 6.182 -17.877 174 HB2 LYS 28 HB2 LYS 28 10.042 9.193 -17.702 175 HB3 LYS 28 HB3 LYS 28 9.916 8.220 -16.223 176 HG2 LYS 28 HG2 LYS 28 12.055 7.499 -16.348 177 HG3 LYS 28 HG3 LYS 28 12.042 7.424 -18.128 178 HD2 LYS 28 HD2 LYS 28 12.142 9.919 -18.175 179 HD3 LYS 28 HD3 LYS 28 12.308 9.905 -16.402 180 HE2 LYS 28 HE2 LYS 28 14.513 10.058 -17.154 181 HE3 LYS 28 HE3 LYS 28 14.310 8.323 -16.817 182 HZ1 LYS 28 HZ1 LYS 28 13.576 8.971 -19.500 183 HZ2 LYS 28 HZ2 LYS 28 14.701 7.840 -18.938 184 HZ3 LYS 28 HZ3 LYS 28 15.166 9.449 -19.173 185 H TRP 29 H TRP 29 7.674 5.570 -18.849 186 HA TRP 29 HA TRP 29 5.813 6.235 -16.651 187 HB2 TRP 29 HB2 TRP 29 3.996 6.893 -18.064 188 HB3 TRP 29 HB3 TRP 29 5.400 7.868 -18.551 189 HD1 TRP 29 HD1 TRP 29 6.846 5.972 -20.550 190 HE1 TRP 29 HE1 TRP 29 5.776 5.317 -22.822 191 HE3 TRP 29 HE3 TRP 29 1.959 6.908 -19.373 192 HZ2 TRP 29 HZ2 TRP 29 3.167 5.235 -23.913 193 HZ3 TRP 29 HZ3 TRP 29 0.237 6.517 -21.088 194 HH2 TRP 29 HH2 TRP 29 0.831 5.697 -23.310 195 H CYS 30 H CYS 30 3.551 5.004 -17.455 196 HA CYS 30 HA CYS 30 4.499 2.198 -17.843 197 HB2 CYS 30 HB2 CYS 30 2.050 3.348 -16.461 198 HB3 CYS 30 HB3 CYS 30 2.249 1.616 -16.804 199 H LYS 31 H LYS 31 3.435 0.798 -19.247 200 HA LYS 31 HA LYS 31 1.220 1.816 -20.878 201 HB2 LYS 31 HB2 LYS 31 2.424 1.486 -23.029 202 HB3 LYS 31 HB3 LYS 31 3.086 2.820 -22.066 203 HG2 LYS 31 HG2 LYS 31 5.018 1.629 -21.512 204 HG3 LYS 31 HG3 LYS 31 4.285 0.061 -21.935 205 HD2 LYS 31 HD2 LYS 31 4.494 2.095 -24.103 206 HD3 LYS 31 HD3 LYS 31 6.009 1.350 -23.540 207 HE2 LYS 31 HE2 LYS 31 4.901 -0.895 -23.859 208 HE3 LYS 31 HE3 LYS 31 3.557 -0.037 -24.651 209 HZ1 LYS 31 HZ1 LYS 31 5.778 0.921 -25.906 210 HZ2 LYS 31 HZ2 LYS 31 4.744 -0.275 -26.506 211 HZ3 LYS 31 HZ3 LYS 31 6.153 -0.713 -25.679 212 H VAL 32 H VAL 32 0.275 0.197 -22.248 213 HA VAL 32 HA VAL 32 0.250 -2.385 -21.028 214 HB VAL 32 HB VAL 32 -0.693 -1.703 -23.832 215 HG11 VAL 32 HG11 VAL 32 -2.472 -3.476 -22.950 216 HG12 VAL 32 HG12 VAL 32 -0.945 -3.975 -23.717 217 HG13 VAL 32 HG13 VAL 32 -1.096 -3.982 -21.943 218 HG21 VAL 32 HG21 VAL 32 -2.168 -0.305 -22.916 219 HG22 VAL 32 HG22 VAL 32 -2.863 -1.683 -22.029 220 HG23 VAL 32 HG23 VAL 32 -1.587 -0.695 -21.280 221 H LEU 33 H LEU 33 1.718 -3.933 -21.123 222 HA LEU 33 HA LEU 33 3.985 -3.931 -22.765 223 HB2 LEU 33 HB2 LEU 33 2.490 -6.087 -21.297 224 HB3 LEU 33 HB3 LEU 33 3.879 -6.509 -22.325 225 HG LEU 33 HG LEU 33 4.219 -4.387 -20.235 226 HD11 LEU 33 HD11 LEU 33 5.030 -6.592 -18.890 227 HD12 LEU 33 HD12 LEU 33 3.603 -7.238 -19.734 228 HD13 LEU 33 HD13 LEU 33 3.440 -5.818 -18.673 229 HD21 LEU 33 HD21 LEU 33 6.134 -4.640 -21.520 230 HD22 LEU 33 HD22 LEU 33 5.915 -6.398 -21.690 231 HD23 LEU 33 HD23 LEU 33 6.460 -5.716 -20.139 232 H LEU 34 H LEU 34 4.507 -4.590 -24.768 233 HA LEU 34 HA LEU 34 2.797 -6.413 -26.263 234 HB2 LEU 34 HB2 LEU 34 1.813 -3.955 -26.335 235 HB3 LEU 34 HB3 LEU 34 3.087 -3.728 -27.556 236 HG LEU 34 HG LEU 34 0.947 -4.231 -28.607 237 HD11 LEU 34 HD11 LEU 34 3.280 -5.217 -29.350 238 HD12 LEU 34 HD12 LEU 34 1.774 -5.684 -30.176 239 HD13 LEU 34 HD13 LEU 34 2.495 -6.766 -28.959 240 HD21 LEU 34 HD21 LEU 34 -0.359 -6.093 -28.161 241 HD22 LEU 34 HD22 LEU 34 0.224 -5.650 -26.540 242 HD23 LEU 34 HD23 LEU 34 0.988 -6.994 -27.424 Start of MODEL 14 1 H1 ALA 1 H ALA 1 4.192 -5.225 -2.164 2 HA ALA 1 HA ALA 1 2.019 -4.936 -1.536 3 HB1 ALA 1 HB1 ALA 1 2.887 -3.881 0.232 4 HB2 ALA 1 HB2 ALA 1 4.035 -2.967 -0.778 5 HB3 ALA 1 HB3 ALA 1 2.374 -2.366 -0.548 6 H GLU 2 H GLU 2 3.151 -2.377 -3.706 7 HA GLU 2 HA GLU 2 0.385 -2.062 -4.677 8 HB2 GLU 2 HB2 GLU 2 0.585 -0.416 -2.818 9 HB3 GLU 2 HB3 GLU 2 1.969 0.321 -3.648 10 HG2 GLU 2 HG2 GLU 2 -0.103 1.584 -3.995 11 HG3 GLU 2 HG3 GLU 2 0.561 0.950 -5.518 12 H CYS 3 H CYS 3 0.240 -1.303 -6.771 13 HA CYS 3 HA CYS 3 2.874 -0.847 -8.117 14 HB2 CYS 3 HB2 CYS 3 1.734 -1.887 -10.155 15 HB3 CYS 3 HB3 CYS 3 2.149 -2.997 -8.831 16 H LYS 4 H LYS 4 2.331 0.021 -10.495 17 HA LYS 4 HA LYS 4 0.596 2.408 -10.023 18 HB2 LYS 4 HB2 LYS 4 2.889 2.050 -11.992 19 HB3 LYS 4 HB3 LYS 4 1.961 3.538 -11.726 20 HG2 LYS 4 HG2 LYS 4 2.776 3.168 -9.225 21 HG3 LYS 4 HG3 LYS 4 4.076 2.271 -10.049 22 HD2 LYS 4 HD2 LYS 4 4.913 4.151 -11.070 23 HD3 LYS 4 HD3 LYS 4 3.333 4.972 -11.097 24 HE2 LYS 4 HE2 LYS 4 4.855 6.071 -9.535 25 HE3 LYS 4 HE3 LYS 4 3.486 5.333 -8.669 26 HZ1 LYS 4 HZ1 LYS 4 5.814 3.628 -8.955 27 HZ2 LYS 4 HZ2 LYS 4 4.832 3.907 -7.606 28 HZ3 LYS 4 HZ3 LYS 4 6.063 5.000 -7.998 29 H GLY 5 H GLY 5 -0.414 3.347 -12.019 30 HA2 GLY 5 HA2 GLY 5 -1.477 1.077 -13.661 31 HA3 GLY 5 HA3 GLY 5 -2.368 2.562 -13.275 32 H PHE 6 H PHE 6 -2.729 2.473 -15.655 33 HA PHE 6 HA PHE 6 -0.425 3.124 -17.335 34 HB2 PHE 6 HB2 PHE 6 -2.207 1.814 -18.311 35 HB3 PHE 6 HB3 PHE 6 -3.418 3.041 -17.872 36 HD1 PHE 6 HD2 PHE 6 -0.695 2.174 -20.171 37 HD2 PHE 6 HD1 PHE 6 -3.655 5.059 -19.161 38 HE1 PHE 6 HE2 PHE 6 -0.383 3.253 -22.359 39 HE2 PHE 6 HE1 PHE 6 -3.349 6.144 -21.348 40 HZ PHE 6 HZ PHE 6 -1.711 5.241 -22.950 41 H GLY 7 H GLY 7 0.311 5.068 -17.924 42 HA2 GLY 7 HA2 GLY 7 0.091 7.384 -18.438 43 HA3 GLY 7 HA3 GLY 7 -1.466 7.422 -17.590 44 H LYS 8 H LYS 8 0.908 5.764 -15.822 45 HA LYS 8 HA LYS 8 1.176 8.130 -14.039 46 HB2 LYS 8 HB2 LYS 8 1.482 5.148 -13.635 47 HB3 LYS 8 HB3 LYS 8 2.124 6.307 -12.456 48 HG2 LYS 8 HG2 LYS 8 -0.728 6.554 -13.326 49 HG3 LYS 8 HG3 LYS 8 -0.272 5.274 -12.175 50 HD2 LYS 8 HD2 LYS 8 -0.766 6.980 -10.716 51 HD3 LYS 8 HD3 LYS 8 0.973 7.274 -10.968 52 HE2 LYS 8 HE2 LYS 8 0.615 9.159 -12.220 53 HE3 LYS 8 HE3 LYS 8 -0.952 8.581 -12.839 54 HZ1 LYS 8 HZ1 LYS 8 -1.045 10.482 -11.221 55 HZ2 LYS 8 HZ2 LYS 8 -0.537 9.412 -10.015 56 HZ3 LYS 8 HZ3 LYS 8 -2.005 9.149 -10.817 57 H SER 9 H SER 9 3.244 8.528 -12.970 58 HA SER 9 HA SER 9 5.446 8.178 -14.932 59 HB2 SER 9 HB2 SER 9 6.584 9.953 -13.634 60 HB3 SER 9 HB3 SER 9 4.960 10.466 -14.154 61 HG SER 9 HG SER 9 5.452 9.303 -11.594 62 H CYS 10 H CYS 10 6.707 6.471 -14.688 63 HA CYS 10 HA CYS 10 7.522 5.760 -11.901 64 HB2 CYS 10 HB2 CYS 10 7.423 3.416 -12.429 65 HB3 CYS 10 HB3 CYS 10 5.867 4.131 -12.897 66 H VAL 11 H VAL 11 9.523 4.293 -11.937 67 HA VAL 11 HA VAL 11 11.467 5.591 -13.777 68 HB VAL 11 HB VAL 11 11.958 3.944 -11.271 69 HG11 VAL 11 HG11 VAL 11 13.798 3.869 -12.935 70 HG12 VAL 11 HG12 VAL 11 13.877 5.647 -12.890 71 HG13 VAL 11 HG13 VAL 11 14.256 4.701 -11.430 72 HG21 VAL 11 HG21 VAL 11 11.611 6.877 -11.778 73 HG22 VAL 11 HG22 VAL 11 11.051 5.880 -10.415 74 HG23 VAL 11 HG23 VAL 11 12.765 6.344 -10.531 75 HA PRO 12 HA PRO 12 11.776 1.869 -16.163 76 HB2 PRO 12 HB2 PRO 12 14.068 2.508 -17.496 77 HB3 PRO 12 HB3 PRO 12 12.485 3.232 -17.880 78 HG2 PRO 12 HG2 PRO 12 14.748 4.343 -16.234 79 HG3 PRO 12 HG3 PRO 12 13.727 5.162 -17.454 80 HD2 PRO 12 HD2 PRO 12 13.316 5.424 -14.777 81 HD3 PRO 12 HD3 PRO 12 11.980 5.469 -15.970 82 H GLY 13 H GLY 13 12.518 -0.078 -15.619 83 HA2 GLY 13 HA2 GLY 13 14.473 -1.522 -15.285 84 HA3 GLY 13 HA3 GLY 13 15.239 -0.209 -14.372 85 H LYS 14 H LYS 14 12.446 0.269 -13.136 86 HA LYS 14 HA LYS 14 12.876 -1.696 -10.953 87 HB2 LYS 14 HB2 LYS 14 11.407 0.943 -11.156 88 HB3 LYS 14 HB3 LYS 14 11.157 -0.154 -9.784 89 HG2 LYS 14 HG2 LYS 14 13.478 -0.006 -9.163 90 HG3 LYS 14 HG3 LYS 14 13.850 0.940 -10.626 91 HD2 LYS 14 HD2 LYS 14 12.032 2.578 -9.692 92 HD3 LYS 14 HD3 LYS 14 12.357 1.755 -8.146 93 HE2 LYS 14 HE2 LYS 14 14.764 2.282 -8.408 94 HE3 LYS 14 HE3 LYS 14 14.386 3.166 -9.907 95 HZ1 LYS 14 HZ1 LYS 14 12.785 4.478 -8.396 96 HZ2 LYS 14 HZ2 LYS 14 14.440 4.818 -8.310 97 HZ3 LYS 14 HZ3 LYS 14 13.708 3.866 -7.116 98 H ASN 15 H ASN 15 10.655 -2.158 -9.737 99 HA ASN 15 HA ASN 15 8.776 -3.148 -11.847 100 HB2 ASN 15 HB2 ASN 15 9.715 -4.435 -9.266 101 HB3 ASN 15 HB3 ASN 15 8.243 -4.968 -10.108 102 HD21 ASN 15 HD21 ASN 15 8.585 -6.750 -11.190 103 HD22 ASN 15 HD22 ASN 15 10.061 -7.123 -12.145 104 H GLU 16 H GLU 16 7.889 -0.899 -11.436 105 HA GLU 16 HA GLU 16 6.212 -0.865 -8.968 106 HB2 GLU 16 HB2 GLU 16 6.631 1.422 -10.916 107 HB3 GLU 16 HB3 GLU 16 6.015 1.497 -9.254 108 HG2 GLU 16 HG2 GLU 16 8.296 0.649 -8.519 109 HG3 GLU 16 HG3 GLU 16 8.838 0.976 -10.181 110 H CYS 17 H CYS 17 6.099 -0.556 -12.512 111 HA CYS 17 HA CYS 17 3.380 0.030 -12.840 112 HB2 CYS 17 HB2 CYS 17 5.358 -1.559 -14.477 113 HB3 CYS 17 HB3 CYS 17 3.665 -1.426 -14.997 114 H CYS 18 H CYS 18 1.513 -1.209 -13.230 115 HA CYS 18 HA CYS 18 1.316 -3.528 -11.489 116 HB2 CYS 18 HB2 CYS 18 -0.540 -1.862 -13.129 117 HB3 CYS 18 HB3 CYS 18 -1.055 -3.529 -12.790 118 H SER 19 H SER 19 -0.168 -5.405 -12.481 119 HA SER 19 HA SER 19 1.590 -6.795 -14.296 120 HB2 SER 19 HB2 SER 19 0.519 -8.325 -12.964 121 HB3 SER 19 HB3 SER 19 -0.980 -7.368 -12.883 122 HG SER 19 HG SER 19 -1.227 -9.310 -14.115 123 H GLY 20 H GLY 20 1.570 -7.006 -16.447 124 HA2 GLY 20 HA2 GLY 20 0.427 -7.152 -18.563 125 HA3 GLY 20 HA3 GLY 20 -0.895 -6.171 -17.903 126 H TYR 21 H TYR 21 1.319 -4.392 -16.686 127 HA TYR 21 HA TYR 21 1.579 -2.727 -19.135 128 HB2 TYR 21 HB2 TYR 21 1.950 -2.044 -16.194 129 HB3 TYR 21 HB3 TYR 21 2.123 -0.894 -17.537 130 HD1 TYR 21 HD2 TYR 21 -0.019 -0.933 -19.187 131 HD2 TYR 21 HD1 TYR 21 -0.054 -2.003 -15.071 132 HE1 TYR 21 HE2 TYR 21 -2.428 -0.448 -19.089 133 HE2 TYR 21 HE1 TYR 21 -2.465 -1.522 -14.960 134 HH TYR 21 HH TYR 21 -4.245 -0.356 -17.832 135 H ALA 22 H ALA 22 3.628 -1.257 -19.062 136 HA ALA 22 HA ALA 22 6.005 -2.711 -18.084 137 HB1 ALA 22 HB1 ALA 22 5.101 -3.082 -20.728 138 HB2 ALA 22 HB2 ALA 22 6.502 -1.990 -20.833 139 HB3 ALA 22 HB3 ALA 22 6.663 -3.571 -20.029 140 H CYS 23 H CYS 23 7.436 -1.317 -17.311 141 HA CYS 23 HA CYS 23 6.987 1.513 -17.505 142 HB2 CYS 23 HB2 CYS 23 8.315 -0.038 -15.754 143 HB3 CYS 23 HB3 CYS 23 9.692 0.483 -16.748 144 H ASN 24 H ASN 24 7.061 2.379 -19.512 145 HA ASN 24 HA ASN 24 9.166 1.658 -21.393 146 HB2 ASN 24 HB2 ASN 24 6.710 2.529 -21.819 147 HB3 ASN 24 HB3 ASN 24 7.469 4.131 -21.685 148 HD21 ASN 24 HD21 ASN 24 6.273 3.534 -23.991 149 HD22 ASN 24 HD22 ASN 24 7.495 3.205 -25.269 150 H SER 25 H SER 25 11.197 2.229 -20.954 151 HA SER 25 HA SER 25 11.957 4.451 -19.358 152 HB2 SER 25 HB2 SER 25 13.711 3.333 -21.558 153 HB3 SER 25 HB3 SER 25 14.179 3.932 -19.948 154 HG SER 25 HG SER 25 14.214 1.625 -20.086 155 H ARG 26 H ARG 26 10.936 4.251 -22.652 156 HA ARG 26 HA ARG 26 12.273 6.397 -23.851 157 HB2 ARG 26 HB2 ARG 26 9.542 5.189 -24.163 158 HB3 ARG 26 HB3 ARG 26 9.893 6.713 -25.002 159 HG2 ARG 26 HG2 ARG 26 11.724 5.703 -26.196 160 HG3 ARG 26 HG3 ARG 26 11.559 4.198 -25.257 161 HD2 ARG 26 HD2 ARG 26 10.560 4.065 -27.532 162 HD3 ARG 26 HD3 ARG 26 9.390 3.771 -26.224 163 HE ARG 26 HE ARG 26 8.218 5.661 -26.856 164 HH11 ARG 26 HH11 ARG 26 11.426 5.661 -28.332 165 HH12 ARG 26 HH12 ARG 26 11.084 7.050 -29.368 166 HH21 ARG 26 HH21 ARG 26 7.783 7.454 -28.196 167 HH22 ARG 26 HH22 ARG 26 9.030 8.062 -29.290 168 H ASP 27 H ASP 27 9.086 6.559 -22.194 169 HA ASP 27 HA ASP 27 9.644 9.462 -21.735 170 HB2 ASP 27 HB2 ASP 27 7.522 8.432 -23.072 171 HB3 ASP 27 HB3 ASP 27 6.870 8.419 -21.419 172 H LYS 28 H LYS 28 10.134 6.754 -20.190 173 HA LYS 28 HA LYS 28 10.105 6.061 -17.996 174 HB2 LYS 28 HB2 LYS 28 10.152 9.074 -17.693 175 HB3 LYS 28 HB3 LYS 28 10.235 7.988 -16.292 176 HG2 LYS 28 HG2 LYS 28 12.343 7.250 -16.807 177 HG3 LYS 28 HG3 LYS 28 12.144 7.552 -18.550 178 HD2 LYS 28 HD2 LYS 28 13.503 9.313 -18.090 179 HD3 LYS 28 HD3 LYS 28 11.959 10.079 -17.640 180 HE2 LYS 28 HE2 LYS 28 13.481 8.514 -15.583 181 HE3 LYS 28 HE3 LYS 28 14.034 10.149 -16.017 182 HZ1 LYS 28 HZ1 LYS 28 12.430 11.016 -14.781 183 HZ2 LYS 28 HZ2 LYS 28 12.000 9.466 -14.257 184 HZ3 LYS 28 HZ3 LYS 28 11.233 10.147 -15.602 185 H TRP 29 H TRP 29 7.742 5.522 -18.896 186 HA TRP 29 HA TRP 29 5.983 6.173 -16.618 187 HB2 TRP 29 HB2 TRP 29 4.138 6.949 -17.931 188 HB3 TRP 29 HB3 TRP 29 5.556 7.898 -18.430 189 HD1 TRP 29 HD1 TRP 29 6.858 6.004 -20.547 190 HE1 TRP 29 HE1 TRP 29 5.686 5.499 -22.809 191 HE3 TRP 29 HE3 TRP 29 2.063 7.140 -19.179 192 HZ2 TRP 29 HZ2 TRP 29 3.045 5.593 -23.816 193 HZ3 TRP 29 HZ3 TRP 29 0.273 6.907 -20.849 194 HH2 TRP 29 HH2 TRP 29 0.755 6.150 -23.121 195 H CYS 30 H CYS 30 3.644 5.060 -17.421 196 HA CYS 30 HA CYS 30 4.479 2.233 -17.870 197 HB2 CYS 30 HB2 CYS 30 2.084 3.493 -16.501 198 HB3 CYS 30 HB3 CYS 30 2.124 1.772 -16.937 199 H LYS 31 H LYS 31 3.258 0.862 -19.240 200 HA LYS 31 HA LYS 31 1.228 2.064 -20.979 201 HB2 LYS 31 HB2 LYS 31 2.510 1.453 -23.073 202 HB3 LYS 31 HB3 LYS 31 3.141 2.852 -22.181 203 HG2 LYS 31 HG2 LYS 31 4.989 1.646 -21.374 204 HG3 LYS 31 HG3 LYS 31 4.255 0.077 -21.788 205 HD2 LYS 31 HD2 LYS 31 4.813 2.086 -23.954 206 HD3 LYS 31 HD3 LYS 31 6.141 1.096 -23.300 207 HE2 LYS 31 HE2 LYS 31 3.540 -0.093 -24.291 208 HE3 LYS 31 HE3 LYS 31 4.938 0.191 -25.357 209 HZ1 LYS 31 HZ1 LYS 31 6.236 -1.167 -23.674 210 HZ2 LYS 31 HZ2 LYS 31 5.134 -2.015 -24.636 211 HZ3 LYS 31 HZ3 LYS 31 4.744 -1.642 -23.032 212 H VAL 32 H VAL 32 0.239 0.502 -22.434 213 HA VAL 32 HA VAL 32 -0.064 -2.054 -21.128 214 HB VAL 32 HB VAL 32 -1.005 -1.289 -23.909 215 HG11 VAL 32 HG11 VAL 32 -2.497 -3.095 -22.049 216 HG12 VAL 32 HG12 VAL 32 -2.419 -3.094 -23.828 217 HG13 VAL 32 HG13 VAL 32 -1.056 -3.732 -22.878 218 HG21 VAL 32 HG21 VAL 32 -3.185 -0.810 -22.570 219 HG22 VAL 32 HG22 VAL 32 -2.087 -0.618 -21.183 220 HG23 VAL 32 HG23 VAL 32 -1.901 0.423 -22.613 221 H LEU 33 H LEU 33 1.134 -3.814 -21.315 222 HA LEU 33 HA LEU 33 3.417 -4.022 -22.923 223 HB2 LEU 33 HB2 LEU 33 1.622 -6.046 -21.604 224 HB3 LEU 33 HB3 LEU 33 2.982 -6.581 -22.620 225 HG LEU 33 HG LEU 33 3.402 -4.680 -20.317 226 HD11 LEU 33 HD11 LEU 33 2.272 -7.158 -19.954 227 HD12 LEU 33 HD12 LEU 33 3.258 -6.282 -18.758 228 HD13 LEU 33 HD13 LEU 33 4.012 -7.504 -19.809 229 HD21 LEU 33 HD21 LEU 33 5.655 -5.764 -20.368 230 HD22 LEU 33 HD22 LEU 33 5.245 -4.860 -21.845 231 HD23 LEU 33 HD23 LEU 33 5.147 -6.638 -21.834 232 H LEU 34 H LEU 34 3.930 -4.879 -24.897 233 HA LEU 34 HA LEU 34 1.673 -5.037 -26.789 234 HB2 LEU 34 HB2 LEU 34 3.768 -3.744 -27.256 235 HB3 LEU 34 HB3 LEU 34 4.647 -5.289 -27.312 236 HG LEU 34 HG LEU 34 2.298 -4.915 -29.130 237 HD11 LEU 34 HD11 LEU 34 3.196 -2.986 -29.887 238 HD12 LEU 34 HD12 LEU 34 4.315 -4.085 -30.727 239 HD13 LEU 34 HD13 LEU 34 4.799 -3.329 -29.190 240 HD21 LEU 34 HD21 LEU 34 3.080 -6.866 -29.857 241 HD22 LEU 34 HD22 LEU 34 4.479 -6.754 -28.762 242 HD23 LEU 34 HD23 LEU 34 4.565 -6.038 -30.390 Start of MODEL 15 1 H1 ALA 1 H ALA 1 4.254 -2.852 -0.382 2 HA ALA 1 HA ALA 1 5.043 -2.899 -2.719 3 HB1 ALA 1 HB1 ALA 1 3.434 -5.027 -1.347 4 HB2 ALA 1 HB2 ALA 1 4.087 -5.325 -2.976 5 HB3 ALA 1 HB3 ALA 1 5.188 -4.932 -1.634 6 H GLU 2 H GLU 2 2.692 -1.169 -2.835 7 HA GLU 2 HA GLU 2 0.797 -2.399 -4.662 8 HB2 GLU 2 HB2 GLU 2 1.327 0.465 -3.818 9 HB3 GLU 2 HB3 GLU 2 0.073 0.031 -4.995 10 HG2 GLU 2 HG2 GLU 2 -0.870 -1.520 -3.224 11 HG3 GLU 2 HG3 GLU 2 0.244 -0.737 -2.079 12 H CYS 3 H CYS 3 0.319 -1.281 -6.817 13 HA CYS 3 HA CYS 3 2.916 -0.793 -8.221 14 HB2 CYS 3 HB2 CYS 3 1.737 -1.835 -10.240 15 HB3 CYS 3 HB3 CYS 3 2.210 -2.945 -8.936 16 H LYS 4 H LYS 4 2.207 0.010 -10.630 17 HA LYS 4 HA LYS 4 0.461 2.381 -10.096 18 HB2 LYS 4 HB2 LYS 4 2.741 2.122 -12.093 19 HB3 LYS 4 HB3 LYS 4 1.785 3.582 -11.769 20 HG2 LYS 4 HG2 LYS 4 2.644 3.192 -9.302 21 HG3 LYS 4 HG3 LYS 4 3.936 2.301 -10.142 22 HD2 LYS 4 HD2 LYS 4 4.733 4.191 -11.209 23 HD3 LYS 4 HD3 LYS 4 3.168 5.036 -11.109 24 HE2 LYS 4 HE2 LYS 4 3.542 5.077 -8.577 25 HE3 LYS 4 HE3 LYS 4 5.219 4.596 -8.931 26 HZ1 LYS 4 HZ1 LYS 4 3.832 7.120 -9.580 27 HZ2 LYS 4 HZ2 LYS 4 5.143 6.618 -10.522 28 HZ3 LYS 4 HZ3 LYS 4 5.347 6.883 -8.864 29 H GLY 5 H GLY 5 -0.664 3.279 -12.006 30 HA2 GLY 5 HA2 GLY 5 -1.677 1.005 -13.659 31 HA3 GLY 5 HA3 GLY 5 -2.554 2.506 -13.309 32 H PHE 6 H PHE 6 -2.986 2.680 -15.573 33 HA PHE 6 HA PHE 6 -0.670 3.120 -17.338 34 HB2 PHE 6 HB2 PHE 6 -2.538 1.919 -18.284 35 HB3 PHE 6 HB3 PHE 6 -3.674 3.198 -17.800 36 HD1 PHE 6 HD1 PHE 6 -3.758 5.300 -19.020 37 HD2 PHE 6 HD2 PHE 6 -1.145 2.166 -20.221 38 HE1 PHE 6 HE1 PHE 6 -3.455 6.394 -21.203 39 HE2 PHE 6 HE2 PHE 6 -0.836 3.254 -22.405 40 HZ PHE 6 HZ PHE 6 -1.994 5.370 -22.899 41 H GLY 7 H GLY 7 0.193 5.021 -17.865 42 HA2 GLY 7 HA2 GLY 7 0.077 7.351 -18.391 43 HA3 GLY 7 HA3 GLY 7 -1.453 7.469 -17.501 44 H LYS 8 H LYS 8 0.869 5.665 -15.808 45 HA LYS 8 HA LYS 8 1.320 7.999 -14.018 46 HB2 LYS 8 HB2 LYS 8 1.473 5.001 -13.632 47 HB3 LYS 8 HB3 LYS 8 2.184 6.125 -12.458 48 HG2 LYS 8 HG2 LYS 8 -0.662 6.529 -13.288 49 HG3 LYS 8 HG3 LYS 8 -0.267 5.199 -12.170 50 HD2 LYS 8 HD2 LYS 8 -0.656 6.902 -10.673 51 HD3 LYS 8 HD3 LYS 8 1.096 7.087 -10.926 52 HE2 LYS 8 HE2 LYS 8 0.835 8.973 -12.264 53 HE3 LYS 8 HE3 LYS 8 -0.851 8.575 -12.669 54 HZ1 LYS 8 HZ1 LYS 8 0.231 9.932 -10.316 55 HZ2 LYS 8 HZ2 LYS 8 -1.092 8.909 -10.063 56 HZ3 LYS 8 HZ3 LYS 8 -1.215 10.198 -11.152 57 H SER 9 H SER 9 3.367 8.566 -13.251 58 HA SER 9 HA SER 9 5.520 7.900 -15.162 59 HB2 SER 9 HB2 SER 9 6.746 9.746 -14.079 60 HB3 SER 9 HB3 SER 9 5.114 10.265 -14.564 61 HG SER 9 HG SER 9 5.459 9.225 -11.969 62 H CYS 10 H CYS 10 6.943 6.354 -14.800 63 HA CYS 10 HA CYS 10 7.706 5.792 -11.972 64 HB2 CYS 10 HB2 CYS 10 7.611 3.403 -12.345 65 HB3 CYS 10 HB3 CYS 10 6.036 4.102 -12.775 66 H VAL 11 H VAL 11 9.696 4.317 -11.906 67 HA VAL 11 HA VAL 11 11.659 5.500 -13.782 68 HB VAL 11 HB VAL 11 12.098 3.792 -11.307 69 HG11 VAL 11 HG11 VAL 11 14.422 4.472 -11.460 70 HG12 VAL 11 HG12 VAL 11 13.928 3.683 -12.979 71 HG13 VAL 11 HG13 VAL 11 14.071 5.455 -12.902 72 HG21 VAL 11 HG21 VAL 11 11.211 5.775 -10.475 73 HG22 VAL 11 HG22 VAL 11 12.960 6.102 -10.462 74 HG23 VAL 11 HG23 VAL 11 11.942 6.764 -11.762 75 HA PRO 12 HA PRO 12 11.826 1.810 -16.232 76 HB2 PRO 12 HB2 PRO 12 14.133 2.391 -17.566 77 HB3 PRO 12 HB3 PRO 12 12.575 3.178 -17.930 78 HG2 PRO 12 HG2 PRO 12 14.884 4.180 -16.275 79 HG3 PRO 12 HG3 PRO 12 13.885 5.055 -17.476 80 HD2 PRO 12 HD2 PRO 12 13.496 5.286 -14.792 81 HD3 PRO 12 HD3 PRO 12 12.158 5.399 -15.978 82 H GLY 13 H GLY 13 12.481 -0.165 -15.689 83 HA2 GLY 13 HA2 GLY 13 14.375 -1.694 -15.392 84 HA3 GLY 13 HA3 GLY 13 15.216 -0.420 -14.488 85 H LYS 14 H LYS 14 12.408 0.134 -13.245 86 HA LYS 14 HA LYS 14 12.814 -1.827 -11.051 87 HB2 LYS 14 HB2 LYS 14 11.412 0.849 -11.246 88 HB3 LYS 14 HB3 LYS 14 11.155 -0.238 -9.868 89 HG2 LYS 14 HG2 LYS 14 13.556 -0.185 -9.373 90 HG3 LYS 14 HG3 LYS 14 13.814 0.904 -10.758 91 HD2 LYS 14 HD2 LYS 14 12.195 2.505 -9.666 92 HD3 LYS 14 HD3 LYS 14 12.237 1.454 -8.230 93 HE2 LYS 14 HE2 LYS 14 14.849 1.742 -8.507 94 HE3 LYS 14 HE3 LYS 14 14.371 3.209 -9.394 95 HZ1 LYS 14 HZ1 LYS 14 14.762 3.257 -6.821 96 HZ2 LYS 14 HZ2 LYS 14 13.167 2.698 -6.761 97 HZ3 LYS 14 HZ3 LYS 14 13.518 4.170 -7.519 98 H ASN 15 H ASN 15 10.554 -2.158 -9.811 99 HA ASN 15 HA ASN 15 8.671 -3.168 -11.908 100 HB2 ASN 15 HB2 ASN 15 9.601 -4.380 -9.298 101 HB3 ASN 15 HB3 ASN 15 8.044 -4.851 -10.015 102 HD21 ASN 15 HD21 ASN 15 11.450 -5.196 -10.064 103 HD22 ASN 15 HD22 ASN 15 11.541 -6.321 -11.463 104 H GLU 16 H GLU 16 7.931 -0.820 -11.553 105 HA GLU 16 HA GLU 16 6.224 -0.602 -9.127 106 HB2 GLU 16 HB2 GLU 16 6.995 1.431 -11.252 107 HB3 GLU 16 HB3 GLU 16 5.913 1.766 -9.886 108 HG2 GLU 16 HG2 GLU 16 8.616 0.644 -9.304 109 HG3 GLU 16 HG3 GLU 16 8.491 2.346 -9.806 110 H CYS 17 H CYS 17 6.059 -0.434 -12.690 111 HA CYS 17 HA CYS 17 3.332 0.117 -12.981 112 HB2 CYS 17 HB2 CYS 17 5.287 -1.505 -14.615 113 HB3 CYS 17 HB3 CYS 17 3.584 -1.381 -15.107 114 H CYS 18 H CYS 18 1.466 -1.142 -13.287 115 HA CYS 18 HA CYS 18 1.324 -3.419 -11.492 116 HB2 CYS 18 HB2 CYS 18 -0.572 -1.799 -13.123 117 HB3 CYS 18 HB3 CYS 18 -1.069 -3.468 -12.772 118 H SER 19 H SER 19 -0.164 -5.334 -12.408 119 HA SER 19 HA SER 19 1.572 -6.792 -14.169 120 HB2 SER 19 HB2 SER 19 0.431 -8.292 -12.874 121 HB3 SER 19 HB3 SER 19 -1.018 -7.264 -12.778 122 HG SER 19 HG SER 19 -1.368 -9.192 -14.010 123 H GLY 20 H GLY 20 1.637 -6.999 -16.312 124 HA2 GLY 20 HA2 GLY 20 0.591 -7.163 -18.471 125 HA3 GLY 20 HA3 GLY 20 -0.779 -6.211 -17.867 126 H TYR 21 H TYR 21 1.341 -4.373 -16.572 127 HA TYR 21 HA TYR 21 1.645 -2.704 -19.012 128 HB2 TYR 21 HB2 TYR 21 1.924 -2.022 -16.058 129 HB3 TYR 21 HB3 TYR 21 2.113 -0.866 -17.395 130 HD1 TYR 21 HD2 TYR 21 0.054 -0.742 -19.038 131 HD2 TYR 21 HD1 TYR 21 -0.148 -2.218 -15.055 132 HE1 TYR 21 HE2 TYR 21 -2.366 -0.302 -19.005 133 HE2 TYR 21 HE1 TYR 21 -2.567 -1.783 -15.009 134 HH TYR 21 HH TYR 21 -4.236 -0.343 -17.822 135 H ALA 22 H ALA 22 3.662 -1.189 -18.868 136 HA ALA 22 HA ALA 22 6.038 -2.643 -17.870 137 HB1 ALA 22 HB1 ALA 22 6.594 -1.765 -20.560 138 HB2 ALA 22 HB2 ALA 22 6.764 -3.385 -19.839 139 HB3 ALA 22 HB3 ALA 22 5.211 -2.885 -20.553 140 H CYS 23 H CYS 23 7.788 -1.349 -17.441 141 HA CYS 23 HA CYS 23 7.191 1.512 -17.296 142 HB2 CYS 23 HB2 CYS 23 8.958 -0.355 -15.988 143 HB3 CYS 23 HB3 CYS 23 9.907 1.017 -16.601 144 H ASN 24 H ASN 24 7.114 2.263 -19.407 145 HA ASN 24 HA ASN 24 9.237 1.735 -21.295 146 HB2 ASN 24 HB2 ASN 24 6.733 2.570 -21.620 147 HB3 ASN 24 HB3 ASN 24 7.493 4.174 -21.515 148 HD21 ASN 24 HD21 ASN 24 7.527 4.942 -23.503 149 HD22 ASN 24 HD22 ASN 24 8.186 4.070 -24.931 150 H SER 25 H SER 25 11.257 2.350 -20.859 151 HA SER 25 HA SER 25 11.946 4.593 -19.238 152 HB2 SER 25 HB2 SER 25 13.409 2.593 -19.823 153 HB3 SER 25 HB3 SER 25 13.691 3.362 -21.403 154 HG SER 25 HG SER 25 15.332 3.872 -19.856 155 H ARG 26 H ARG 26 10.969 4.346 -22.539 156 HA ARG 26 HA ARG 26 12.283 6.500 -23.747 157 HB2 ARG 26 HB2 ARG 26 10.469 4.805 -24.632 158 HB3 ARG 26 HB3 ARG 26 9.333 6.098 -24.200 159 HG2 ARG 26 HG2 ARG 26 11.733 6.701 -25.904 160 HG3 ARG 26 HG3 ARG 26 10.281 5.956 -26.617 161 HD2 ARG 26 HD2 ARG 26 9.046 7.898 -25.330 162 HD3 ARG 26 HD3 ARG 26 10.648 8.672 -25.397 163 HE ARG 26 HE ARG 26 10.324 9.088 -27.638 164 HH11 ARG 26 HH11 ARG 26 8.125 6.543 -26.568 165 HH12 ARG 26 HH12 ARG 26 7.262 6.473 -28.108 166 HH21 ARG 26 HH21 ARG 26 9.205 8.994 -29.622 167 HH22 ARG 26 HH22 ARG 26 7.870 7.856 -29.830 168 H ASP 27 H ASP 27 9.077 6.628 -22.124 169 HA ASP 27 HA ASP 27 9.602 9.538 -21.663 170 HB2 ASP 27 HB2 ASP 27 7.540 8.533 -23.084 171 HB3 ASP 27 HB3 ASP 27 6.824 8.458 -21.459 172 H LYS 28 H LYS 28 10.084 6.854 -20.100 173 HA LYS 28 HA LYS 28 9.992 6.157 -17.910 174 HB2 LYS 28 HB2 LYS 28 10.045 9.166 -17.680 175 HB3 LYS 28 HB3 LYS 28 9.933 8.162 -16.221 176 HG2 LYS 28 HG2 LYS 28 12.070 7.440 -16.385 177 HG3 LYS 28 HG3 LYS 28 12.047 7.423 -18.165 178 HD2 LYS 28 HD2 LYS 28 12.100 9.939 -18.097 179 HD3 LYS 28 HD3 LYS 28 12.363 9.822 -16.340 180 HE2 LYS 28 HE2 LYS 28 14.525 10.021 -17.185 181 HE3 LYS 28 HE3 LYS 28 14.335 8.264 -16.967 182 HZ1 LYS 28 HZ1 LYS 28 13.517 9.254 -19.564 183 HZ2 LYS 28 HZ2 LYS 28 14.464 7.911 -19.163 184 HZ3 LYS 28 HZ3 LYS 28 15.166 9.447 -19.238 185 H TRP 29 H TRP 29 7.675 5.566 -18.894 186 HA TRP 29 HA TRP 29 5.819 6.193 -16.684 187 HB2 TRP 29 HB2 TRP 29 4.005 6.898 -18.075 188 HB3 TRP 29 HB3 TRP 29 5.415 7.874 -18.546 189 HD1 TRP 29 HD1 TRP 29 6.835 5.982 -20.582 190 HE1 TRP 29 HE1 TRP 29 5.752 5.395 -22.868 191 HE3 TRP 29 HE3 TRP 29 1.967 6.994 -19.387 192 HZ2 TRP 29 HZ2 TRP 29 3.143 5.387 -23.959 193 HZ3 TRP 29 HZ3 TRP 29 0.240 6.672 -21.109 194 HH2 TRP 29 HH2 TRP 29 0.815 5.885 -23.348 195 H CYS 30 H CYS 30 3.561 4.982 -17.451 196 HA CYS 30 HA CYS 30 4.489 2.185 -17.911 197 HB2 CYS 30 HB2 CYS 30 2.014 3.317 -16.560 198 HB3 CYS 30 HB3 CYS 30 2.239 1.588 -16.903 199 H LYS 31 H LYS 31 3.280 0.766 -19.250 200 HA LYS 31 HA LYS 31 1.191 1.906 -20.963 201 HB2 LYS 31 HB2 LYS 31 2.455 1.319 -23.074 202 HB3 LYS 31 HB3 LYS 31 3.062 2.737 -22.200 203 HG2 LYS 31 HG2 LYS 31 4.982 1.644 -21.487 204 HG3 LYS 31 HG3 LYS 31 4.269 0.029 -21.720 205 HD2 LYS 31 HD2 LYS 31 5.941 0.499 -23.443 206 HD3 LYS 31 HD3 LYS 31 4.314 0.367 -24.159 207 HE2 LYS 31 HE2 LYS 31 4.130 2.739 -24.373 208 HE3 LYS 31 HE3 LYS 31 5.591 3.003 -23.391 209 HZ1 LYS 31 HZ1 LYS 31 5.424 1.872 -26.134 210 HZ2 LYS 31 HZ2 LYS 31 6.822 1.777 -25.188 211 HZ3 LYS 31 HZ3 LYS 31 6.208 3.288 -25.640 212 H VAL 32 H VAL 32 0.097 0.336 -22.237 213 HA VAL 32 HA VAL 32 -0.070 -2.225 -20.964 214 HB VAL 32 HB VAL 32 -1.092 -1.509 -23.733 215 HG11 VAL 32 HG11 VAL 32 -1.461 -3.770 -21.860 216 HG12 VAL 32 HG12 VAL 32 -2.952 -3.129 -22.594 217 HG13 VAL 32 HG13 VAL 32 -1.623 -3.703 -23.632 218 HG21 VAL 32 HG21 VAL 32 -2.068 -0.771 -20.995 219 HG22 VAL 32 HG22 VAL 32 -2.044 0.188 -22.494 220 HG23 VAL 32 HG23 VAL 32 -3.252 -1.100 -22.280 221 H LEU 33 H LEU 33 1.225 -3.913 -21.132 222 HA LEU 33 HA LEU 33 3.435 -4.086 -22.845 223 HB2 LEU 33 HB2 LEU 33 1.800 -6.161 -21.394 224 HB3 LEU 33 HB3 LEU 33 3.187 -6.628 -22.405 225 HG LEU 33 HG LEU 33 3.502 -4.606 -20.194 226 HD11 LEU 33 HD11 LEU 33 3.602 -6.156 -18.545 227 HD12 LEU 33 HD12 LEU 33 4.167 -7.445 -19.636 228 HD13 LEU 33 HD13 LEU 33 2.444 -7.004 -19.599 229 HD21 LEU 33 HD21 LEU 33 5.306 -6.483 -21.726 230 HD22 LEU 33 HD22 LEU 33 5.805 -5.709 -20.205 231 HD23 LEU 33 HD23 LEU 33 5.382 -4.709 -21.615 232 H LEU 34 H LEU 34 3.886 -5.005 -24.807 233 HA LEU 34 HA LEU 34 1.483 -5.577 -26.475 234 HB2 LEU 34 HB2 LEU 34 3.113 -3.764 -27.125 235 HB3 LEU 34 HB3 LEU 34 4.321 -5.042 -27.384 236 HG LEU 34 HG LEU 34 2.979 -5.989 -29.178 237 HD11 LEU 34 HD11 LEU 34 0.765 -5.701 -29.051 238 HD12 LEU 34 HD12 LEU 34 1.051 -4.109 -29.794 239 HD13 LEU 34 HD13 LEU 34 0.926 -4.255 -28.025 240 HD21 LEU 34 HD21 LEU 34 4.588 -4.174 -29.671 241 HD22 LEU 34 HD22 LEU 34 3.271 -2.989 -29.506 242 HD23 LEU 34 HD23 LEU 34 3.216 -4.206 -30.805 Start of MODEL 16 1 H1 ALA 1 H ALA 1 2.988 -3.457 0.027 2 HA ALA 1 HA ALA 1 3.703 -3.233 -2.224 3 HB1 ALA 1 HB1 ALA 1 3.709 -5.441 -1.275 4 HB2 ALA 1 HB2 ALA 1 1.972 -5.643 -1.607 5 HB3 ALA 1 HB3 ALA 1 3.131 -5.554 -2.955 6 H GLU 2 H GLU 2 2.542 -1.410 -3.150 7 HA GLU 2 HA GLU 2 0.133 -2.244 -4.705 8 HB2 GLU 2 HB2 GLU 2 1.183 0.556 -4.148 9 HB3 GLU 2 HB3 GLU 2 -0.346 0.139 -4.949 10 HG2 GLU 2 HG2 GLU 2 -0.843 -1.137 -2.722 11 HG3 GLU 2 HG3 GLU 2 0.415 -0.068 -2.057 12 H CYS 3 H CYS 3 -0.072 -1.075 -6.875 13 HA CYS 3 HA CYS 3 2.604 -1.053 -8.212 14 HB2 CYS 3 HB2 CYS 3 1.367 -1.980 -10.239 15 HB3 CYS 3 HB3 CYS 3 1.586 -3.104 -8.880 16 H LYS 4 H LYS 4 2.144 -0.193 -10.637 17 HA LYS 4 HA LYS 4 0.719 2.406 -10.225 18 HB2 LYS 4 HB2 LYS 4 3.184 1.675 -11.830 19 HB3 LYS 4 HB3 LYS 4 2.275 3.169 -12.135 20 HG2 LYS 4 HG2 LYS 4 2.593 3.416 -9.488 21 HG3 LYS 4 HG3 LYS 4 4.024 2.422 -9.852 22 HD2 LYS 4 HD2 LYS 4 5.035 4.073 -11.066 23 HD3 LYS 4 HD3 LYS 4 3.488 4.747 -11.637 24 HE2 LYS 4 HE2 LYS 4 4.458 4.980 -8.777 25 HE3 LYS 4 HE3 LYS 4 4.804 6.196 -10.029 26 HZ1 LYS 4 HZ1 LYS 4 2.050 5.617 -10.052 27 HZ2 LYS 4 HZ2 LYS 4 2.817 7.078 -9.679 28 HZ3 LYS 4 HZ3 LYS 4 2.507 5.950 -8.457 29 H GLY 5 H GLY 5 -0.724 3.138 -11.724 30 HA2 GLY 5 HA2 GLY 5 -1.668 1.081 -13.630 31 HA3 GLY 5 HA3 GLY 5 -2.505 2.580 -13.185 32 H PHE 6 H PHE 6 -2.929 2.805 -15.475 33 HA PHE 6 HA PHE 6 -0.616 3.322 -17.210 34 HB2 PHE 6 HB2 PHE 6 -2.561 2.220 -18.169 35 HB3 PHE 6 HB3 PHE 6 -3.614 3.561 -17.667 36 HD1 PHE 6 HD1 PHE 6 -3.486 5.724 -18.811 37 HD2 PHE 6 HD2 PHE 6 -1.200 2.382 -20.120 38 HE1 PHE 6 HE1 PHE 6 -3.092 6.843 -20.966 39 HE2 PHE 6 HE2 PHE 6 -0.801 3.495 -22.278 40 HZ PHE 6 HZ PHE 6 -1.747 5.729 -22.703 41 H GLY 7 H GLY 7 0.066 5.267 -18.017 42 HA2 GLY 7 HA2 GLY 7 0.141 7.595 -18.251 43 HA3 GLY 7 HA3 GLY 7 -1.425 7.716 -17.429 44 H LYS 8 H LYS 8 0.779 5.801 -15.699 45 HA LYS 8 HA LYS 8 1.192 8.058 -13.805 46 HB2 LYS 8 HB2 LYS 8 1.582 5.066 -13.415 47 HB3 LYS 8 HB3 LYS 8 1.722 6.309 -12.156 48 HG2 LYS 8 HG2 LYS 8 -0.822 5.916 -13.725 49 HG3 LYS 8 HG3 LYS 8 -0.448 4.962 -12.269 50 HD2 LYS 8 HD2 LYS 8 -1.541 6.668 -11.241 51 HD3 LYS 8 HD3 LYS 8 0.066 7.431 -11.324 52 HE2 LYS 8 HE2 LYS 8 -1.241 9.109 -12.197 53 HE3 LYS 8 HE3 LYS 8 -0.799 8.237 -13.684 54 HZ1 LYS 8 HZ1 LYS 8 -3.378 8.305 -12.260 55 HZ2 LYS 8 HZ2 LYS 8 -2.981 6.940 -13.179 56 HZ3 LYS 8 HZ3 LYS 8 -3.059 8.463 -13.915 57 H SER 9 H SER 9 3.148 8.847 -13.276 58 HA SER 9 HA SER 9 5.371 8.197 -15.015 59 HB2 SER 9 HB2 SER 9 5.651 9.784 -12.457 60 HB3 SER 9 HB3 SER 9 6.473 10.014 -14.019 61 HG SER 9 HG SER 9 4.832 11.596 -13.633 62 H CYS 10 H CYS 10 6.890 6.711 -14.791 63 HA CYS 10 HA CYS 10 7.523 5.747 -12.044 64 HB2 CYS 10 HB2 CYS 10 7.423 3.439 -12.696 65 HB3 CYS 10 HB3 CYS 10 5.886 4.187 -13.179 66 H VAL 11 H VAL 11 9.541 4.374 -12.036 67 HA VAL 11 HA VAL 11 11.504 5.673 -13.863 68 HB VAL 11 HB VAL 11 11.972 4.145 -11.279 69 HG11 VAL 11 HG11 VAL 11 14.254 4.958 -11.413 70 HG12 VAL 11 HG12 VAL 11 13.854 4.050 -12.893 71 HG13 VAL 11 HG13 VAL 11 13.888 5.830 -12.921 72 HG21 VAL 11 HG21 VAL 11 10.764 6.302 -10.998 73 HG22 VAL 11 HG22 VAL 11 12.382 6.302 -10.257 74 HG23 VAL 11 HG23 VAL 11 12.114 7.130 -11.809 75 HA PRO 12 HA PRO 12 11.967 1.864 -16.080 76 HB2 PRO 12 HB2 PRO 12 14.274 2.506 -17.385 77 HB3 PRO 12 HB3 PRO 12 12.683 3.174 -17.838 78 HG2 PRO 12 HG2 PRO 12 14.876 4.411 -16.184 79 HG3 PRO 12 HG3 PRO 12 13.865 5.151 -17.463 80 HD2 PRO 12 HD2 PRO 12 13.381 5.514 -14.809 81 HD3 PRO 12 HD3 PRO 12 12.075 5.474 -16.035 82 H GLY 13 H GLY 13 12.732 -0.034 -15.418 83 HA2 GLY 13 HA2 GLY 13 14.717 -1.413 -14.982 84 HA3 GLY 13 HA3 GLY 13 15.426 -0.042 -14.106 85 H LYS 14 H LYS 14 12.602 0.423 -12.953 86 HA LYS 14 HA LYS 14 13.018 -1.445 -10.685 87 HB2 LYS 14 HB2 LYS 14 11.574 1.181 -11.043 88 HB3 LYS 14 HB3 LYS 14 11.176 0.123 -9.675 89 HG2 LYS 14 HG2 LYS 14 13.289 0.353 -8.715 90 HG3 LYS 14 HG3 LYS 14 14.024 0.916 -10.237 91 HD2 LYS 14 HD2 LYS 14 13.083 3.052 -10.045 92 HD3 LYS 14 HD3 LYS 14 11.855 2.507 -8.873 93 HE2 LYS 14 HE2 LYS 14 14.841 2.647 -8.350 94 HE3 LYS 14 HE3 LYS 14 13.652 3.866 -7.837 95 HZ1 LYS 14 HZ1 LYS 14 12.521 1.803 -6.744 96 HZ2 LYS 14 HZ2 LYS 14 13.818 2.569 -5.974 97 HZ3 LYS 14 HZ3 LYS 14 14.073 1.133 -6.830 98 H ASN 15 H ASN 15 10.754 -1.870 -9.503 99 HA ASN 15 HA ASN 15 8.983 -3.040 -11.614 100 HB2 ASN 15 HB2 ASN 15 9.995 -4.129 -8.999 101 HB3 ASN 15 HB3 ASN 15 8.393 -4.636 -9.580 102 HD21 ASN 15 HD21 ASN 15 11.753 -4.223 -10.713 103 HD22 ASN 15 HD22 ASN 15 11.762 -5.709 -11.725 104 H GLU 16 H GLU 16 8.057 -0.770 -11.413 105 HA GLU 16 HA GLU 16 6.295 -0.536 -9.027 106 HB2 GLU 16 HB2 GLU 16 6.883 1.470 -11.234 107 HB3 GLU 16 HB3 GLU 16 5.910 1.774 -9.782 108 HG2 GLU 16 HG2 GLU 16 8.775 0.877 -9.579 109 HG3 GLU 16 HG3 GLU 16 8.352 2.587 -9.832 110 H CYS 17 H CYS 17 6.221 -0.555 -12.595 111 HA CYS 17 HA CYS 17 3.449 -0.194 -12.939 112 HB2 CYS 17 HB2 CYS 17 5.555 -1.669 -14.533 113 HB3 CYS 17 HB3 CYS 17 3.857 -1.648 -15.058 114 H CYS 18 H CYS 18 1.706 -1.610 -13.262 115 HA CYS 18 HA CYS 18 1.861 -3.995 -11.549 116 HB2 CYS 18 HB2 CYS 18 -0.116 -2.132 -12.092 117 HB3 CYS 18 HB3 CYS 18 -0.644 -3.545 -13.031 118 H SER 19 H SER 19 0.065 -5.727 -12.625 119 HA SER 19 HA SER 19 1.695 -7.031 -14.633 120 HB2 SER 19 HB2 SER 19 0.039 -7.987 -12.760 121 HB3 SER 19 HB3 SER 19 -1.123 -7.919 -14.106 122 HG SER 19 HG SER 19 -0.012 -9.945 -13.987 123 H GLY 20 H GLY 20 1.483 -7.150 -16.793 124 HA2 GLY 20 HA2 GLY 20 0.264 -7.033 -18.842 125 HA3 GLY 20 HA3 GLY 20 -1.025 -6.133 -18.018 126 H TYR 21 H TYR 21 1.104 -4.384 -16.738 127 HA TYR 21 HA TYR 21 1.202 -2.476 -18.988 128 HB2 TYR 21 HB2 TYR 21 1.930 -2.203 -16.047 129 HB3 TYR 21 HB3 TYR 21 2.007 -0.881 -17.232 130 HD1 TYR 21 HD2 TYR 21 -0.366 -0.894 -18.712 131 HD2 TYR 21 HD1 TYR 21 0.127 -2.013 -14.638 132 HE1 TYR 21 HE2 TYR 21 -2.731 -0.370 -18.289 133 HE2 TYR 21 HE1 TYR 21 -2.237 -1.494 -14.203 134 HH TYR 21 HH TYR 21 -4.371 -0.296 -16.808 135 H ALA 22 H ALA 22 3.219 -1.101 -19.191 136 HA ALA 22 HA ALA 22 5.688 -2.683 -18.701 137 HB1 ALA 22 HB1 ALA 22 5.917 -1.520 -21.298 138 HB2 ALA 22 HB2 ALA 22 5.970 -3.238 -20.835 139 HB3 ALA 22 HB3 ALA 22 4.415 -2.473 -21.241 140 H CYS 23 H CYS 23 7.191 -1.450 -17.811 141 HA CYS 23 HA CYS 23 6.831 1.465 -17.820 142 HB2 CYS 23 HB2 CYS 23 7.635 -0.128 -15.869 143 HB3 CYS 23 HB3 CYS 23 9.228 0.082 -16.630 144 H ASN 24 H ASN 24 7.222 2.098 -19.940 145 HA ASN 24 HA ASN 24 9.710 1.338 -21.261 146 HB2 ASN 24 HB2 ASN 24 7.319 2.117 -22.214 147 HB3 ASN 24 HB3 ASN 24 8.129 3.699 -22.196 148 HD21 ASN 24 HD21 ASN 24 8.019 3.788 -24.454 149 HD22 ASN 24 HD22 ASN 24 9.148 2.819 -25.466 150 H SER 25 H SER 25 11.635 2.233 -21.016 151 HA SER 25 HA SER 25 12.033 4.451 -19.235 152 HB2 SER 25 HB2 SER 25 14.397 4.305 -19.928 153 HB3 SER 25 HB3 SER 25 13.729 2.691 -19.592 154 HG SER 25 HG SER 25 14.960 2.757 -21.550 155 H ARG 26 H ARG 26 11.449 4.187 -22.655 156 HA ARG 26 HA ARG 26 12.629 6.527 -23.637 157 HB2 ARG 26 HB2 ARG 26 10.102 5.039 -24.339 158 HB3 ARG 26 HB3 ARG 26 10.500 6.557 -25.167 159 HG2 ARG 26 HG2 ARG 26 11.360 4.904 -26.567 160 HG3 ARG 26 HG3 ARG 26 12.779 5.471 -25.654 161 HD2 ARG 26 HD2 ARG 26 12.587 3.569 -24.137 162 HD3 ARG 26 HD3 ARG 26 11.121 3.020 -24.984 163 HE ARG 26 HE ARG 26 13.090 3.184 -26.949 164 HH11 ARG 26 HH11 ARG 26 12.630 1.488 -23.887 165 HH12 ARG 26 HH12 ARG 26 13.597 0.092 -24.376 166 HH21 ARG 26 HH21 ARG 26 14.337 1.380 -27.572 167 HH22 ARG 26 HH22 ARG 26 14.561 0.032 -26.452 168 H ASP 27 H ASP 27 9.249 6.205 -22.452 169 HA ASP 27 HA ASP 27 9.182 9.159 -22.132 170 HB2 ASP 27 HB2 ASP 27 7.237 7.097 -22.783 171 HB3 ASP 27 HB3 ASP 27 6.685 8.065 -21.399 172 H LYS 28 H LYS 28 9.852 6.391 -20.343 173 HA LYS 28 HA LYS 28 10.081 5.997 -18.094 174 HB2 LYS 28 HB2 LYS 28 10.197 9.002 -18.231 175 HB3 LYS 28 HB3 LYS 28 10.162 8.204 -16.647 176 HG2 LYS 28 HG2 LYS 28 12.245 7.287 -16.903 177 HG3 LYS 28 HG3 LYS 28 12.131 7.246 -18.680 178 HD2 LYS 28 HD2 LYS 28 13.527 9.018 -18.560 179 HD3 LYS 28 HD3 LYS 28 12.032 9.926 -18.226 180 HE2 LYS 28 HE2 LYS 28 13.557 8.646 -15.973 181 HE3 LYS 28 HE3 LYS 28 14.112 10.192 -16.659 182 HZ1 LYS 28 HZ1 LYS 28 11.677 10.905 -16.297 183 HZ2 LYS 28 HZ2 LYS 28 12.706 10.836 -14.957 184 HZ3 LYS 28 HZ3 LYS 28 11.593 9.592 -15.234 185 H TRP 29 H TRP 29 7.676 5.330 -18.765 186 HA TRP 29 HA TRP 29 6.098 6.006 -16.407 187 HB2 TRP 29 HB2 TRP 29 4.192 6.964 -17.485 188 HB3 TRP 29 HB3 TRP 29 5.607 7.875 -18.062 189 HD1 TRP 29 HD1 TRP 29 6.459 5.606 -20.277 190 HE1 TRP 29 HE1 TRP 29 5.106 5.480 -22.488 191 HE3 TRP 29 HE3 TRP 29 2.214 7.973 -18.691 192 HZ2 TRP 29 HZ2 TRP 29 2.552 6.309 -23.379 193 HZ3 TRP 29 HZ3 TRP 29 0.362 8.266 -20.285 194 HH2 TRP 29 HH2 TRP 29 0.528 7.452 -22.581 195 H CYS 30 H CYS 30 3.720 4.986 -16.849 196 HA CYS 30 HA CYS 30 4.347 2.200 -17.685 197 HB2 CYS 30 HB2 CYS 30 2.145 3.390 -15.961 198 HB3 CYS 30 HB3 CYS 30 2.180 1.685 -16.463 199 H LYS 31 H LYS 31 3.079 1.042 -19.118 200 HA LYS 31 HA LYS 31 0.783 2.355 -20.391 201 HB2 LYS 31 HB2 LYS 31 1.773 2.114 -22.693 202 HB3 LYS 31 HB3 LYS 31 2.518 3.381 -21.698 203 HG2 LYS 31 HG2 LYS 31 4.519 2.325 -21.598 204 HG3 LYS 31 HG3 LYS 31 3.786 0.702 -21.584 205 HD2 LYS 31 HD2 LYS 31 4.970 0.957 -23.654 206 HD3 LYS 31 HD3 LYS 31 3.227 1.020 -24.011 207 HE2 LYS 31 HE2 LYS 31 4.024 2.794 -25.263 208 HE3 LYS 31 HE3 LYS 31 3.553 3.604 -23.750 209 HZ1 LYS 31 HZ1 LYS 31 5.802 4.196 -24.691 210 HZ2 LYS 31 HZ2 LYS 31 6.319 2.647 -24.250 211 HZ3 LYS 31 HZ3 LYS 31 5.787 3.730 -23.065 212 H VAL 32 H VAL 32 -0.617 0.928 -21.319 213 HA VAL 32 HA VAL 32 -0.484 -1.784 -20.549 214 HB VAL 32 HB VAL 32 -2.048 -0.566 -22.853 215 HG11 VAL 32 HG11 VAL 32 -3.421 -2.737 -21.657 216 HG12 VAL 32 HG12 VAL 32 -2.748 -2.630 -23.303 217 HG13 VAL 32 HG13 VAL 32 -1.759 -3.286 -21.977 218 HG21 VAL 32 HG21 VAL 32 -3.085 -1.180 -20.086 219 HG22 VAL 32 HG22 VAL 32 -2.323 0.381 -20.471 220 HG23 VAL 32 HG23 VAL 32 -3.790 -0.132 -21.340 221 H LEU 33 H LEU 33 0.714 -3.418 -21.225 222 HA LEU 33 HA LEU 33 2.567 -3.275 -23.325 223 HB2 LEU 33 HB2 LEU 33 1.221 -5.576 -21.919 224 HB3 LEU 33 HB3 LEU 33 2.372 -5.864 -23.245 225 HG LEU 33 HG LEU 33 3.170 -4.176 -20.884 226 HD11 LEU 33 HD11 LEU 33 2.151 -6.579 -20.350 227 HD12 LEU 33 HD12 LEU 33 3.589 -5.947 -19.511 228 HD13 LEU 33 HD13 LEU 33 3.780 -7.093 -20.858 229 HD21 LEU 33 HD21 LEU 33 5.394 -5.155 -21.469 230 HD22 LEU 33 HD22 LEU 33 4.672 -4.170 -22.763 231 HD23 LEU 33 HD23 LEU 33 4.627 -5.946 -22.868 232 H LEU 34 H LEU 34 2.668 -4.099 -25.426 233 HA LEU 34 HA LEU 34 0.132 -3.902 -26.862 234 HB2 LEU 34 HB2 LEU 34 3.019 -4.254 -27.605 235 HB3 LEU 34 HB3 LEU 34 1.755 -4.592 -28.810 236 HG LEU 34 HG LEU 34 1.871 -1.949 -27.360 237 HD11 LEU 34 HD11 LEU 34 4.080 -2.581 -28.515 238 HD12 LEU 34 HD12 LEU 34 3.321 -1.031 -28.952 239 HD13 LEU 34 HD13 LEU 34 3.168 -2.434 -30.037 240 HD21 LEU 34 HD21 LEU 34 0.765 -1.204 -29.474 241 HD22 LEU 34 HD22 LEU 34 -0.178 -2.386 -28.537 242 HD23 LEU 34 HD23 LEU 34 0.710 -2.907 -29.990 Start of MODEL 17 1 H1 ALA 1 H ALA 1 2.639 -4.422 -0.519 2 HA ALA 1 HA ALA 1 2.832 -2.331 -1.619 3 HB1 ALA 1 HB1 ALA 1 4.012 -3.869 -3.745 4 HB2 ALA 1 HB2 ALA 1 4.797 -3.056 -2.368 5 HB3 ALA 1 HB3 ALA 1 4.211 -4.729 -2.198 6 H GLU 2 H GLU 2 1.765 -0.949 -2.852 7 HA GLU 2 HA GLU 2 -0.195 -1.921 -4.777 8 HB2 GLU 2 HB2 GLU 2 0.715 0.802 -3.836 9 HB3 GLU 2 HB3 GLU 2 -0.354 0.642 -5.243 10 HG2 GLU 2 HG2 GLU 2 -1.776 -0.847 -3.611 11 HG3 GLU 2 HG3 GLU 2 -0.886 0.051 -2.359 12 H CYS 3 H CYS 3 -0.306 -0.776 -6.984 13 HA CYS 3 HA CYS 3 2.435 -0.714 -8.177 14 HB2 CYS 3 HB2 CYS 3 1.361 -1.773 -10.230 15 HB3 CYS 3 HB3 CYS 3 1.553 -2.835 -8.818 16 H LYS 4 H LYS 4 2.034 0.008 -10.675 17 HA LYS 4 HA LYS 4 0.461 2.543 -10.448 18 HB2 LYS 4 HB2 LYS 4 2.966 1.988 -12.082 19 HB3 LYS 4 HB3 LYS 4 2.074 3.521 -12.044 20 HG2 LYS 4 HG2 LYS 4 2.519 3.477 -9.502 21 HG3 LYS 4 HG3 LYS 4 3.748 2.248 -9.894 22 HD2 LYS 4 HD2 LYS 4 5.061 3.746 -11.074 23 HD3 LYS 4 HD3 LYS 4 3.692 4.827 -11.430 24 HE2 LYS 4 HE2 LYS 4 5.119 5.910 -9.827 25 HE3 LYS 4 HE3 LYS 4 3.618 5.424 -9.004 26 HZ1 LYS 4 HZ1 LYS 4 5.522 4.902 -7.643 27 HZ2 LYS 4 HZ2 LYS 4 6.233 4.002 -8.886 28 HZ3 LYS 4 HZ3 LYS 4 4.803 3.461 -8.161 29 H GLY 5 H GLY 5 -1.038 3.005 -11.953 30 HA2 GLY 5 HA2 GLY 5 -1.612 0.884 -13.919 31 HA3 GLY 5 HA3 GLY 5 -2.626 2.289 -13.542 32 H PHE 6 H PHE 6 -2.988 2.702 -15.744 33 HA PHE 6 HA PHE 6 -0.665 3.272 -17.450 34 HB2 PHE 6 HB2 PHE 6 -2.838 2.197 -18.244 35 HB3 PHE 6 HB3 PHE 6 -3.593 3.796 -18.064 36 HD1 PHE 6 HD2 PHE 6 -1.156 1.807 -19.962 37 HD2 PHE 6 HD1 PHE 6 -3.119 5.565 -19.610 38 HE1 PHE 6 HE2 PHE 6 -0.388 2.415 -22.219 39 HE2 PHE 6 HE1 PHE 6 -2.356 6.182 -21.866 40 HZ PHE 6 HZ PHE 6 -0.987 4.605 -23.174 41 H GLY 7 H GLY 7 0.156 5.213 -17.984 42 HA2 GLY 7 HA2 GLY 7 0.171 7.565 -18.214 43 HA3 GLY 7 HA3 GLY 7 -1.387 7.654 -17.373 44 H LYS 8 H LYS 8 0.825 5.657 -15.750 45 HA LYS 8 HA LYS 8 1.245 7.815 -13.749 46 HB2 LYS 8 HB2 LYS 8 1.361 4.793 -13.651 47 HB3 LYS 8 HB3 LYS 8 2.078 5.781 -12.363 48 HG2 LYS 8 HG2 LYS 8 -0.765 6.260 -13.201 49 HG3 LYS 8 HG3 LYS 8 -0.363 4.889 -12.135 50 HD2 LYS 8 HD2 LYS 8 -0.746 6.499 -10.551 51 HD3 LYS 8 HD3 LYS 8 0.989 6.777 -10.835 52 HE2 LYS 8 HE2 LYS 8 0.634 8.739 -11.966 53 HE3 LYS 8 HE3 LYS 8 -0.969 8.236 -12.556 54 HZ1 LYS 8 HZ1 LYS 8 -0.616 10.004 -10.603 55 HZ2 LYS 8 HZ2 LYS 8 -0.714 8.594 -9.676 56 HZ3 LYS 8 HZ3 LYS 8 -1.982 9.012 -10.713 57 H SER 9 H SER 9 3.217 8.524 -13.096 58 HA SER 9 HA SER 9 5.434 7.969 -14.924 59 HB2 SER 9 HB2 SER 9 6.545 9.788 -13.871 60 HB3 SER 9 HB3 SER 9 4.827 10.247 -13.890 61 HG SER 9 HG SER 9 5.541 8.816 -11.645 62 H CYS 10 H CYS 10 7.015 6.550 -14.666 63 HA CYS 10 HA CYS 10 7.712 5.677 -11.915 64 HB2 CYS 10 HB2 CYS 10 7.592 3.331 -12.459 65 HB3 CYS 10 HB3 CYS 10 6.025 4.064 -12.861 66 H VAL 11 H VAL 11 9.695 4.185 -11.995 67 HA VAL 11 HA VAL 11 11.623 5.475 -13.855 68 HB VAL 11 HB VAL 11 12.134 3.778 -11.388 69 HG11 VAL 11 HG11 VAL 11 13.940 3.704 -13.086 70 HG12 VAL 11 HG12 VAL 11 14.048 5.480 -13.013 71 HG13 VAL 11 HG13 VAL 11 14.440 4.503 -11.577 72 HG21 VAL 11 HG21 VAL 11 13.043 6.322 -10.862 73 HG22 VAL 11 HG22 VAL 11 11.548 6.631 -11.779 74 HG23 VAL 11 HG23 VAL 11 11.497 5.639 -10.302 75 HA PRO 12 HA PRO 12 11.830 1.790 -16.310 76 HB2 PRO 12 HB2 PRO 12 14.105 2.417 -17.675 77 HB3 PRO 12 HB3 PRO 12 12.527 3.173 -18.017 78 HG2 PRO 12 HG2 PRO 12 14.839 4.219 -16.395 79 HG3 PRO 12 HG3 PRO 12 13.807 5.074 -17.581 80 HD2 PRO 12 HD2 PRO 12 13.450 5.298 -14.893 81 HD3 PRO 12 HD3 PRO 12 12.094 5.384 -16.059 82 H GLY 13 H GLY 13 12.509 -0.165 -15.728 83 HA2 GLY 13 HA2 GLY 13 14.436 -1.666 -15.469 84 HA3 GLY 13 HA3 GLY 13 15.275 -0.372 -14.596 85 H LYS 14 H LYS 14 12.557 0.204 -13.250 86 HA LYS 14 HA LYS 14 13.010 -1.760 -11.072 87 HB2 LYS 14 HB2 LYS 14 11.809 0.979 -11.276 88 HB3 LYS 14 HB3 LYS 14 11.222 -0.094 -9.990 89 HG2 LYS 14 HG2 LYS 14 13.161 0.011 -8.823 90 HG3 LYS 14 HG3 LYS 14 14.167 0.129 -10.288 91 HD2 LYS 14 HD2 LYS 14 14.266 2.210 -9.024 92 HD3 LYS 14 HD3 LYS 14 13.436 2.472 -10.577 93 HE2 LYS 14 HE2 LYS 14 11.281 2.437 -9.497 94 HE3 LYS 14 HE3 LYS 14 12.018 1.969 -7.946 95 HZ1 LYS 14 HZ1 LYS 14 13.007 4.428 -9.163 96 HZ2 LYS 14 HZ2 LYS 14 12.699 4.068 -7.540 97 HZ3 LYS 14 HZ3 LYS 14 11.422 4.476 -8.574 98 H ASN 15 H ASN 15 10.828 -2.158 -9.771 99 HA ASN 15 HA ASN 15 8.849 -3.120 -11.800 100 HB2 ASN 15 HB2 ASN 15 9.946 -4.411 -9.300 101 HB3 ASN 15 HB3 ASN 15 8.336 -4.857 -9.908 102 HD21 ASN 15 HD21 ASN 15 8.505 -6.767 -10.819 103 HD22 ASN 15 HD22 ASN 15 9.760 -7.233 -12.020 104 H GLU 16 H GLU 16 7.908 -0.940 -11.481 105 HA GLU 16 HA GLU 16 6.360 -0.797 -8.928 106 HB2 GLU 16 HB2 GLU 16 6.956 1.404 -10.940 107 HB3 GLU 16 HB3 GLU 16 6.092 1.596 -9.403 108 HG2 GLU 16 HG2 GLU 16 8.844 0.440 -9.342 109 HG3 GLU 16 HG3 GLU 16 8.659 2.183 -9.653 110 H CYS 17 H CYS 17 6.160 -0.643 -12.466 111 HA CYS 17 HA CYS 17 3.438 0.029 -12.728 112 HB2 CYS 17 HB2 CYS 17 5.399 -1.535 -14.386 113 HB3 CYS 17 HB3 CYS 17 3.682 -1.554 -14.848 114 H CYS 18 H CYS 18 1.599 -1.322 -13.314 115 HA CYS 18 HA CYS 18 1.364 -3.543 -11.420 116 HB2 CYS 18 HB2 CYS 18 -0.394 -1.667 -12.466 117 HB3 CYS 18 HB3 CYS 18 -0.858 -3.159 -13.311 118 H SER 19 H SER 19 -0.276 -5.352 -12.521 119 HA SER 19 HA SER 19 1.555 -6.864 -14.192 120 HB2 SER 19 HB2 SER 19 0.385 -8.343 -12.892 121 HB3 SER 19 HB3 SER 19 -1.074 -7.324 -12.857 122 HG SER 19 HG SER 19 -1.373 -9.266 -14.076 123 H GLY 20 H GLY 20 1.655 -7.046 -16.333 124 HA2 GLY 20 HA2 GLY 20 0.642 -7.200 -18.508 125 HA3 GLY 20 HA3 GLY 20 -0.742 -6.258 -17.919 126 H TYR 21 H TYR 21 1.340 -4.414 -16.580 127 HA TYR 21 HA TYR 21 1.655 -2.716 -18.994 128 HB2 TYR 21 HB2 TYR 21 1.940 -2.098 -16.027 129 HB3 TYR 21 HB3 TYR 21 2.159 -0.914 -17.335 130 HD1 TYR 21 HD2 TYR 21 0.030 -1.146 -19.116 131 HD2 TYR 21 HD1 TYR 21 -0.056 -1.851 -14.921 132 HE1 TYR 21 HE2 TYR 21 -2.384 -0.669 -19.090 133 HE2 TYR 21 HE1 TYR 21 -2.468 -1.376 -14.884 134 HH TYR 21 HH TYR 21 -4.222 -0.509 -17.875 135 H ALA 22 H ALA 22 3.667 -1.279 -18.992 136 HA ALA 22 HA ALA 22 6.056 -2.698 -17.960 137 HB1 ALA 22 HB1 ALA 22 6.526 -3.635 -19.925 138 HB2 ALA 22 HB2 ALA 22 5.195 -2.769 -20.728 139 HB3 ALA 22 HB3 ALA 22 6.792 -1.998 -20.569 140 H CYS 23 H CYS 23 7.673 -1.366 -17.374 141 HA CYS 23 HA CYS 23 7.127 1.483 -17.380 142 HB2 CYS 23 HB2 CYS 23 8.992 -0.364 -16.104 143 HB3 CYS 23 HB3 CYS 23 9.814 1.114 -16.648 144 H ASN 24 H ASN 24 7.101 2.326 -19.419 145 HA ASN 24 HA ASN 24 9.201 1.718 -21.336 146 HB2 ASN 24 HB2 ASN 24 6.710 2.521 -21.700 147 HB3 ASN 24 HB3 ASN 24 7.428 4.142 -21.564 148 HD21 ASN 24 HD21 ASN 24 6.591 4.309 -23.774 149 HD22 ASN 24 HD22 ASN 24 7.640 3.720 -25.111 150 H SER 25 H SER 25 11.220 2.344 -20.918 151 HA SER 25 HA SER 25 11.910 4.605 -19.321 152 HB2 SER 25 HB2 SER 25 13.790 3.616 -21.448 153 HB3 SER 25 HB3 SER 25 14.112 4.032 -19.747 154 HG SER 25 HG SER 25 14.194 1.753 -20.141 155 H ARG 26 H ARG 26 10.967 4.302 -22.638 156 HA ARG 26 HA ARG 26 12.267 6.463 -23.848 157 HB2 ARG 26 HB2 ARG 26 10.596 4.763 -24.836 158 HB3 ARG 26 HB3 ARG 26 9.330 5.882 -24.291 159 HG2 ARG 26 HG2 ARG 26 9.814 6.281 -26.618 160 HG3 ARG 26 HG3 ARG 26 10.372 7.670 -25.653 161 HD2 ARG 26 HD2 ARG 26 12.648 6.981 -25.818 162 HD3 ARG 26 HD3 ARG 26 12.187 5.394 -26.482 163 HE ARG 26 HE ARG 26 12.462 7.915 -27.926 164 HH11 ARG 26 HH11 ARG 26 10.945 4.729 -27.857 165 HH12 ARG 26 HH12 ARG 26 10.708 4.668 -29.607 166 HH21 ARG 26 HH21 ARG 26 12.155 7.833 -30.184 167 HH22 ARG 26 HH22 ARG 26 11.391 6.419 -30.918 168 H ASP 27 H ASP 27 9.050 6.552 -22.248 169 HA ASP 27 HA ASP 27 9.477 9.489 -21.883 170 HB2 ASP 27 HB2 ASP 27 7.239 7.963 -22.861 171 HB3 ASP 27 HB3 ASP 27 6.762 8.787 -21.359 172 H LYS 28 H LYS 28 10.076 6.842 -20.246 173 HA LYS 28 HA LYS 28 10.087 6.229 -18.028 174 HB2 LYS 28 HB2 LYS 28 10.122 9.246 -17.903 175 HB3 LYS 28 HB3 LYS 28 10.110 8.282 -16.412 176 HG2 LYS 28 HG2 LYS 28 12.265 7.719 -16.622 177 HG3 LYS 28 HG3 LYS 28 12.109 7.395 -18.365 178 HD2 LYS 28 HD2 LYS 28 12.063 9.917 -18.694 179 HD3 LYS 28 HD3 LYS 28 12.552 10.053 -16.987 180 HE2 LYS 28 HE2 LYS 28 14.613 8.960 -17.383 181 HE3 LYS 28 HE3 LYS 28 14.083 8.373 -18.978 182 HZ1 LYS 28 HZ1 LYS 28 13.893 11.150 -19.022 183 HZ2 LYS 28 HZ2 LYS 28 14.997 10.175 -19.855 184 HZ3 LYS 28 HZ3 LYS 28 15.394 10.791 -18.329 185 H TRP 29 H TRP 29 7.731 5.593 -18.883 186 HA TRP 29 HA TRP 29 5.990 6.223 -16.597 187 HB2 TRP 29 HB2 TRP 29 4.113 7.001 -17.868 188 HB3 TRP 29 HB3 TRP 29 5.512 7.977 -18.368 189 HD1 TRP 29 HD1 TRP 29 6.790 6.044 -20.513 190 HE1 TRP 29 HE1 TRP 29 5.597 5.606 -22.777 191 HE3 TRP 29 HE3 TRP 29 2.040 7.329 -19.121 192 HZ2 TRP 29 HZ2 TRP 29 2.959 5.805 -23.779 193 HZ3 TRP 29 HZ3 TRP 29 0.241 7.177 -20.791 194 HH2 TRP 29 HH2 TRP 29 0.692 6.431 -23.072 195 H CYS 30 H CYS 30 3.710 5.046 -17.145 196 HA CYS 30 HA CYS 30 4.544 2.258 -17.742 197 HB2 CYS 30 HB2 CYS 30 2.125 3.444 -16.338 198 HB3 CYS 30 HB3 CYS 30 2.273 1.716 -16.726 199 H LYS 31 H LYS 31 3.337 0.891 -19.111 200 HA LYS 31 HA LYS 31 1.233 2.078 -20.777 201 HB2 LYS 31 HB2 LYS 31 2.454 1.533 -22.910 202 HB3 LYS 31 HB3 LYS 31 3.125 2.904 -22.003 203 HG2 LYS 31 HG2 LYS 31 4.981 1.648 -21.267 204 HG3 LYS 31 HG3 LYS 31 4.229 0.106 -21.748 205 HD2 LYS 31 HD2 LYS 31 4.699 2.190 -23.847 206 HD3 LYS 31 HD3 LYS 31 6.093 1.265 -23.236 207 HE2 LYS 31 HE2 LYS 31 3.551 -0.068 -24.187 208 HE3 LYS 31 HE3 LYS 31 4.881 0.345 -25.295 209 HZ1 LYS 31 HZ1 LYS 31 4.820 -1.639 -23.117 210 HZ2 LYS 31 HZ2 LYS 31 6.296 -0.936 -23.551 211 HZ3 LYS 31 HZ3 LYS 31 5.398 -1.798 -24.698 212 H VAL 32 H VAL 32 0.231 0.516 -22.226 213 HA VAL 32 HA VAL 32 0.053 -2.079 -20.942 214 HB VAL 32 HB VAL 32 -1.119 -1.231 -23.612 215 HG11 VAL 32 HG11 VAL 32 -1.481 -3.495 -23.546 216 HG12 VAL 32 HG12 VAL 32 -1.499 -3.556 -21.767 217 HG13 VAL 32 HG13 VAL 32 -2.911 -2.931 -22.652 218 HG21 VAL 32 HG21 VAL 32 -2.394 0.214 -22.492 219 HG22 VAL 32 HG22 VAL 32 -3.094 -1.161 -21.604 220 HG23 VAL 32 HG23 VAL 32 -1.690 -0.296 -20.938 221 H LEU 33 H LEU 33 1.380 -3.726 -21.226 222 HA LEU 33 HA LEU 33 3.461 -3.822 -23.107 223 HB2 LEU 33 HB2 LEU 33 2.006 -5.908 -21.504 224 HB3 LEU 33 HB3 LEU 33 3.241 -6.398 -22.687 225 HG LEU 33 HG LEU 33 3.891 -4.370 -20.560 226 HD11 LEU 33 HD11 LEU 33 2.817 -6.509 -19.602 227 HD12 LEU 33 HD12 LEU 33 4.402 -6.003 -18.970 228 HD13 LEU 33 HD13 LEU 33 4.299 -7.328 -20.154 229 HD21 LEU 33 HD21 LEU 33 5.631 -4.504 -22.077 230 HD22 LEU 33 HD22 LEU 33 5.375 -6.238 -22.384 231 HD23 LEU 33 HD23 LEU 33 6.119 -5.705 -20.857 232 H LEU 34 H LEU 34 3.787 -4.763 -25.094 233 HA LEU 34 HA LEU 34 1.395 -4.958 -26.758 234 HB2 LEU 34 HB2 LEU 34 3.809 -4.062 -27.303 235 HB3 LEU 34 HB3 LEU 34 4.131 -5.769 -27.683 236 HG LEU 34 HG LEU 34 3.599 -4.478 -29.693 237 HD11 LEU 34 HD11 LEU 34 1.389 -6.414 -28.951 238 HD12 LEU 34 HD12 LEU 34 2.999 -6.864 -29.560 239 HD13 LEU 34 HD13 LEU 34 1.883 -5.944 -30.595 240 HD21 LEU 34 HD21 LEU 34 1.891 -3.048 -28.169 241 HD22 LEU 34 HD22 LEU 34 0.745 -4.164 -28.947 242 HD23 LEU 34 HD23 LEU 34 1.796 -3.129 -29.944 Start of MODEL 18 1 H1 ALA 1 H ALA 1 3.645 -5.945 -1.299 2 HA ALA 1 HA ALA 1 3.372 -3.425 -1.365 3 HB1 ALA 1 HB1 ALA 1 4.864 -5.354 -2.902 4 HB2 ALA 1 HB2 ALA 1 4.538 -3.906 -3.887 5 HB3 ALA 1 HB3 ALA 1 5.359 -3.749 -2.315 6 H GLU 2 H GLU 2 3.182 -1.796 -3.191 7 HA GLU 2 HA GLU 2 0.618 -2.349 -4.626 8 HB2 GLU 2 HB2 GLU 2 0.878 -0.452 -2.833 9 HB3 GLU 2 HB3 GLU 2 1.710 0.418 -4.136 10 HG2 GLU 2 HG2 GLU 2 -0.213 0.465 -5.489 11 HG3 GLU 2 HG3 GLU 2 -1.034 -0.773 -4.508 12 H CYS 3 H CYS 3 0.318 -1.293 -6.720 13 HA CYS 3 HA CYS 3 2.926 -1.009 -8.161 14 HB2 CYS 3 HB2 CYS 3 1.638 -1.897 -10.176 15 HB3 CYS 3 HB3 CYS 3 1.987 -3.073 -8.892 16 H LYS 4 H LYS 4 2.357 -0.031 -10.495 17 HA LYS 4 HA LYS 4 0.978 2.530 -9.861 18 HB2 LYS 4 HB2 LYS 4 2.966 1.773 -12.031 19 HB3 LYS 4 HB3 LYS 4 2.176 3.357 -11.918 20 HG2 LYS 4 HG2 LYS 4 3.641 2.317 -9.529 21 HG3 LYS 4 HG3 LYS 4 4.577 2.936 -10.913 22 HD2 LYS 4 HD2 LYS 4 2.320 4.498 -9.644 23 HD3 LYS 4 HD3 LYS 4 4.001 4.605 -9.069 24 HE2 LYS 4 HE2 LYS 4 4.740 5.367 -11.251 25 HE3 LYS 4 HE3 LYS 4 3.105 5.142 -11.917 26 HZ1 LYS 4 HZ1 LYS 4 3.721 7.007 -9.684 27 HZ2 LYS 4 HZ2 LYS 4 2.283 6.897 -10.568 28 HZ3 LYS 4 HZ3 LYS 4 3.690 7.477 -11.309 29 H GLY 5 H GLY 5 0.137 3.593 -12.062 30 HA2 GLY 5 HA2 GLY 5 -1.571 1.498 -13.364 31 HA3 GLY 5 HA3 GLY 5 -2.212 3.073 -12.859 32 H PHE 6 H PHE 6 -2.803 2.673 -15.307 33 HA PHE 6 HA PHE 6 -0.703 3.235 -17.212 34 HB2 PHE 6 HB2 PHE 6 -2.738 2.057 -17.883 35 HB3 PHE 6 HB3 PHE 6 -3.730 3.463 -17.437 36 HD1 PHE 6 HD2 PHE 6 -0.851 2.569 -19.645 37 HD2 PHE 6 HD1 PHE 6 -4.350 4.926 -19.094 38 HE1 PHE 6 HE2 PHE 6 -0.608 3.454 -21.928 39 HE2 PHE 6 HE1 PHE 6 -4.114 5.816 -21.376 40 HZ PHE 6 HZ PHE 6 -2.242 5.078 -22.796 41 H GLY 7 H GLY 7 -0.181 5.116 -18.297 42 HA2 GLY 7 HA2 GLY 7 -0.077 7.414 -18.667 43 HA3 GLY 7 HA3 GLY 7 -1.613 7.594 -17.798 44 H LYS 8 H LYS 8 0.674 5.848 -15.998 45 HA LYS 8 HA LYS 8 1.165 8.276 -14.344 46 HB2 LYS 8 HB2 LYS 8 1.454 5.322 -13.673 47 HB3 LYS 8 HB3 LYS 8 1.745 6.665 -12.549 48 HG2 LYS 8 HG2 LYS 8 -0.904 6.613 -13.885 49 HG3 LYS 8 HG3 LYS 8 -0.578 5.327 -12.696 50 HD2 LYS 8 HD2 LYS 8 -1.362 6.892 -11.246 51 HD3 LYS 8 HD3 LYS 8 0.327 7.453 -11.313 52 HE2 LYS 8 HE2 LYS 8 -1.463 8.513 -13.421 53 HE3 LYS 8 HE3 LYS 8 -1.837 9.035 -11.761 54 HZ1 LYS 8 HZ1 LYS 8 -0.047 10.340 -11.716 55 HZ2 LYS 8 HZ2 LYS 8 0.037 10.144 -13.393 56 HZ3 LYS 8 HZ3 LYS 8 0.970 9.162 -12.379 57 H SER 9 H SER 9 3.234 8.755 -13.516 58 HA SER 9 HA SER 9 5.382 7.939 -15.373 59 HB2 SER 9 HB2 SER 9 4.735 10.320 -14.002 60 HB3 SER 9 HB3 SER 9 6.231 9.727 -13.241 61 HG SER 9 HG SER 9 6.893 9.413 -15.606 62 H CYS 10 H CYS 10 6.994 6.585 -14.919 63 HA CYS 10 HA CYS 10 7.580 5.961 -12.080 64 HB2 CYS 10 HB2 CYS 10 7.391 3.583 -12.368 65 HB3 CYS 10 HB3 CYS 10 5.868 4.306 -12.928 66 H VAL 11 H VAL 11 9.525 4.431 -11.947 67 HA VAL 11 HA VAL 11 11.557 5.525 -13.803 68 HB VAL 11 HB VAL 11 11.899 3.839 -11.297 69 HG11 VAL 11 HG11 VAL 11 14.244 4.449 -11.415 70 HG12 VAL 11 HG12 VAL 11 13.756 3.654 -12.933 71 HG13 VAL 11 HG13 VAL 11 13.949 5.422 -12.876 72 HG21 VAL 11 HG21 VAL 11 12.424 5.858 -10.139 73 HG22 VAL 11 HG22 VAL 11 12.397 6.807 -11.644 74 HG23 VAL 11 HG23 VAL 11 10.884 6.135 -10.990 75 HA PRO 12 HA PRO 12 11.662 1.797 -16.200 76 HB2 PRO 12 HB2 PRO 12 14.010 2.290 -17.494 77 HB3 PRO 12 HB3 PRO 12 12.484 3.118 -17.899 78 HG2 PRO 12 HG2 PRO 12 14.789 4.073 -16.212 79 HG3 PRO 12 HG3 PRO 12 13.842 4.961 -17.446 80 HD2 PRO 12 HD2 PRO 12 13.407 5.241 -14.774 81 HD3 PRO 12 HD3 PRO 12 12.096 5.377 -15.987 82 H GLY 13 H GLY 13 12.215 -0.176 -15.553 83 HA2 GLY 13 HA2 GLY 13 14.049 -1.774 -15.209 84 HA3 GLY 13 HA3 GLY 13 14.933 -0.507 -14.337 85 H LYS 14 H LYS 14 12.347 0.316 -12.995 86 HA LYS 14 HA LYS 14 12.576 -1.670 -10.812 87 HB2 LYS 14 HB2 LYS 14 11.419 1.115 -11.043 88 HB3 LYS 14 HB3 LYS 14 11.031 0.076 -9.658 89 HG2 LYS 14 HG2 LYS 14 12.820 1.350 -8.900 90 HG3 LYS 14 HG3 LYS 14 13.586 -0.178 -9.399 91 HD2 LYS 14 HD2 LYS 14 14.496 0.766 -11.335 92 HD3 LYS 14 HD3 LYS 14 13.357 2.133 -11.317 93 HE2 LYS 14 HE2 LYS 14 15.471 2.993 -10.646 94 HE3 LYS 14 HE3 LYS 14 14.470 2.889 -9.178 95 HZ1 LYS 14 HZ1 LYS 14 15.704 0.480 -9.242 96 HZ2 LYS 14 HZ2 LYS 14 16.215 1.809 -8.330 97 HZ3 LYS 14 HZ3 LYS 14 16.911 1.502 -9.842 98 H ASN 15 H ASN 15 10.918 -2.900 -10.017 99 HA ASN 15 HA ASN 15 8.729 -3.388 -11.902 100 HB2 ASN 15 HB2 ASN 15 9.144 -4.658 -9.174 101 HB3 ASN 15 HB3 ASN 15 8.224 -5.307 -10.551 102 HD21 ASN 15 HD21 ASN 15 11.149 -5.303 -8.903 103 HD22 ASN 15 HD22 ASN 15 12.147 -6.128 -10.153 104 H GLU 16 H GLU 16 7.990 -1.066 -11.514 105 HA GLU 16 HA GLU 16 6.328 -0.881 -9.049 106 HB2 GLU 16 HB2 GLU 16 6.790 1.299 -11.105 107 HB3 GLU 16 HB3 GLU 16 6.219 1.471 -9.434 108 HG2 GLU 16 HG2 GLU 16 8.533 0.455 -8.808 109 HG3 GLU 16 HG3 GLU 16 8.990 0.942 -10.456 110 H CYS 17 H CYS 17 6.140 -0.575 -12.604 111 HA CYS 17 HA CYS 17 3.416 0.021 -12.850 112 HB2 CYS 17 HB2 CYS 17 5.398 -1.459 -14.558 113 HB3 CYS 17 HB3 CYS 17 3.684 -1.485 -15.021 114 H CYS 18 H CYS 18 1.552 -1.250 -13.304 115 HA CYS 18 HA CYS 18 1.352 -3.552 -11.545 116 HB2 CYS 18 HB2 CYS 18 -0.475 -1.868 -13.160 117 HB3 CYS 18 HB3 CYS 18 -0.983 -3.562 -12.984 118 H SER 19 H SER 19 -0.036 -5.486 -12.500 119 HA SER 19 HA SER 19 1.755 -6.859 -14.283 120 HB2 SER 19 HB2 SER 19 0.698 -8.411 -12.974 121 HB3 SER 19 HB3 SER 19 -0.802 -7.458 -12.875 122 HG SER 19 HG SER 19 -1.057 -9.397 -14.107 123 H GLY 20 H GLY 20 1.774 -7.104 -16.430 124 HA2 GLY 20 HA2 GLY 20 0.681 -7.294 -18.565 125 HA3 GLY 20 HA3 GLY 20 -0.684 -6.350 -17.939 126 H TYR 21 H TYR 21 1.404 -4.465 -16.697 127 HA TYR 21 HA TYR 21 1.678 -2.830 -19.161 128 HB2 TYR 21 HB2 TYR 21 1.933 -2.106 -16.216 129 HB3 TYR 21 HB3 TYR 21 2.125 -0.962 -17.563 130 HD1 TYR 21 HD2 TYR 21 0.009 -1.304 -19.339 131 HD2 TYR 21 HD1 TYR 21 -0.074 -1.874 -15.125 132 HE1 TYR 21 HE2 TYR 21 -2.414 -0.884 -19.337 133 HE2 TYR 21 HE1 TYR 21 -2.497 -1.457 -15.109 134 HH TYR 21 HH TYR 21 -4.261 -0.729 -18.131 135 H ALA 22 H ALA 22 3.664 -1.317 -19.126 136 HA ALA 22 HA ALA 22 6.068 -2.710 -18.087 137 HB1 ALA 22 HB1 ALA 22 6.970 -3.266 -20.073 138 HB2 ALA 22 HB2 ALA 22 5.289 -3.199 -20.655 139 HB3 ALA 22 HB3 ALA 22 6.366 -1.798 -20.878 140 H CYS 23 H CYS 23 7.612 -1.355 -17.400 141 HA CYS 23 HA CYS 23 7.027 1.484 -17.388 142 HB2 CYS 23 HB2 CYS 23 8.824 -0.349 -16.040 143 HB3 CYS 23 HB3 CYS 23 9.718 1.083 -16.596 144 H ASN 24 H ASN 24 7.007 2.237 -19.493 145 HA ASN 24 HA ASN 24 9.155 1.722 -21.342 146 HB2 ASN 24 HB2 ASN 24 6.675 2.601 -21.698 147 HB3 ASN 24 HB3 ASN 24 7.453 4.192 -21.547 148 HD21 ASN 24 HD21 ASN 24 6.412 4.103 -23.808 149 HD22 ASN 24 HD22 ASN 24 7.530 3.606 -25.126 150 H SER 25 H SER 25 11.179 2.296 -20.877 151 HA SER 25 HA SER 25 11.889 4.498 -19.210 152 HB2 SER 25 HB2 SER 25 14.071 3.860 -19.589 153 HB3 SER 25 HB3 SER 25 13.246 2.378 -20.125 154 HG SER 25 HG SER 25 14.819 3.122 -21.647 155 H ARG 26 H ARG 26 10.979 4.310 -22.542 156 HA ARG 26 HA ARG 26 12.337 6.477 -23.677 157 HB2 ARG 26 HB2 ARG 26 10.726 4.884 -24.810 158 HB3 ARG 26 HB3 ARG 26 9.400 5.851 -24.132 159 HG2 ARG 26 HG2 ARG 26 9.860 6.458 -26.453 160 HG3 ARG 26 HG3 ARG 26 10.193 7.817 -25.349 161 HD2 ARG 26 HD2 ARG 26 11.917 7.479 -27.138 162 HD3 ARG 26 HD3 ARG 26 12.556 7.433 -25.477 163 HE ARG 26 HE ARG 26 13.191 5.237 -25.797 164 HH11 ARG 26 HH11 ARG 26 10.858 6.195 -28.270 165 HH12 ARG 26 HH12 ARG 26 11.046 4.703 -29.197 166 HH21 ARG 26 HH21 ARG 26 13.428 3.315 -26.999 167 HH22 ARG 26 HH22 ARG 26 12.494 3.079 -28.480 168 H ASP 27 H ASP 27 9.089 6.595 -22.137 169 HA ASP 27 HA ASP 27 9.583 9.507 -21.668 170 HB2 ASP 27 HB2 ASP 27 7.362 8.117 -22.796 171 HB3 ASP 27 HB3 ASP 27 6.835 8.768 -21.227 172 H LYS 28 H LYS 28 10.105 6.810 -20.101 173 HA LYS 28 HA LYS 28 10.067 6.130 -17.904 174 HB2 LYS 28 HB2 LYS 28 10.101 9.146 -17.648 175 HB3 LYS 28 HB3 LYS 28 10.125 8.098 -16.216 176 HG2 LYS 28 HG2 LYS 28 12.288 7.616 -16.477 177 HG3 LYS 28 HG3 LYS 28 12.098 7.311 -18.221 178 HD2 LYS 28 HD2 LYS 28 12.477 9.538 -18.785 179 HD3 LYS 28 HD3 LYS 28 12.046 10.126 -17.161 180 HE2 LYS 28 HE2 LYS 28 14.158 8.634 -16.492 181 HE3 LYS 28 HE3 LYS 28 14.610 8.984 -18.177 182 HZ1 LYS 28 HZ1 LYS 28 14.701 11.252 -17.759 183 HZ2 LYS 28 HZ2 LYS 28 15.372 10.592 -16.354 184 HZ3 LYS 28 HZ3 LYS 28 13.775 11.154 -16.346 185 H TRP 29 H TRP 29 7.720 5.553 -18.820 186 HA TRP 29 HA TRP 29 5.935 6.182 -16.558 187 HB2 TRP 29 HB2 TRP 29 4.091 6.949 -17.881 188 HB3 TRP 29 HB3 TRP 29 5.503 7.915 -18.363 189 HD1 TRP 29 HD1 TRP 29 6.835 6.020 -20.475 190 HE1 TRP 29 HE1 TRP 29 5.686 5.527 -22.751 191 HE3 TRP 29 HE3 TRP 29 2.030 7.166 -19.153 192 HZ2 TRP 29 HZ2 TRP 29 3.055 5.635 -23.785 193 HZ3 TRP 29 HZ3 TRP 29 0.256 6.945 -20.844 194 HH2 TRP 29 HH2 TRP 29 0.760 6.195 -23.113 195 H CYS 30 H CYS 30 3.634 5.031 -17.280 196 HA CYS 30 HA CYS 30 4.492 2.224 -17.797 197 HB2 CYS 30 HB2 CYS 30 2.030 3.393 -16.450 198 HB3 CYS 30 HB3 CYS 30 2.237 1.662 -16.795 199 H LYS 31 H LYS 31 3.327 0.865 -19.197 200 HA LYS 31 HA LYS 31 1.223 2.033 -20.875 201 HB2 LYS 31 HB2 LYS 31 2.479 1.543 -23.003 202 HB3 LYS 31 HB3 LYS 31 3.113 2.913 -22.069 203 HG2 LYS 31 HG2 LYS 31 4.974 1.658 -21.308 204 HG3 LYS 31 HG3 LYS 31 4.265 0.127 -21.876 205 HD2 LYS 31 HD2 LYS 31 4.827 2.357 -23.818 206 HD3 LYS 31 HD3 LYS 31 6.140 1.282 -23.278 207 HE2 LYS 31 HE2 LYS 31 3.528 0.244 -24.394 208 HE3 LYS 31 HE3 LYS 31 4.925 0.634 -25.424 209 HZ1 LYS 31 HZ1 LYS 31 4.458 -1.674 -23.826 210 HZ2 LYS 31 HZ2 LYS 31 5.913 -0.936 -23.378 211 HZ3 LYS 31 HZ3 LYS 31 5.661 -1.401 -24.985 212 H VAL 32 H VAL 32 0.448 0.437 -22.538 213 HA VAL 32 HA VAL 32 0.141 -2.137 -21.227 214 HB VAL 32 HB VAL 32 -0.748 -1.235 -23.991 215 HG11 VAL 32 HG11 VAL 32 -0.834 -3.802 -22.648 216 HG12 VAL 32 HG12 VAL 32 -2.476 -3.205 -22.992 217 HG13 VAL 32 HG13 VAL 32 -1.295 -3.374 -24.312 218 HG21 VAL 32 HG21 VAL 32 -2.864 -0.717 -23.014 219 HG22 VAL 32 HG22 VAL 32 -2.385 -1.413 -21.448 220 HG23 VAL 32 HG23 VAL 32 -1.620 0.087 -22.025 221 H LEU 33 H LEU 33 1.415 -3.844 -21.384 222 HA LEU 33 HA LEU 33 3.762 -3.950 -22.905 223 HB2 LEU 33 HB2 LEU 33 2.003 -6.024 -21.635 224 HB3 LEU 33 HB3 LEU 33 3.361 -6.543 -22.659 225 HG LEU 33 HG LEU 33 3.835 -4.620 -20.396 226 HD11 LEU 33 HD11 LEU 33 4.406 -7.314 -19.597 227 HD12 LEU 33 HD12 LEU 33 2.689 -7.188 -20.052 228 HD13 LEU 33 HD13 LEU 33 3.364 -6.103 -18.812 229 HD21 LEU 33 HD21 LEU 33 5.607 -6.864 -21.324 230 HD22 LEU 33 HD22 LEU 33 6.042 -5.324 -20.547 231 HD23 LEU 33 HD23 LEU 33 5.516 -5.346 -22.248 232 H LEU 34 H LEU 34 4.206 -4.161 -24.986 233 HA LEU 34 HA LEU 34 2.112 -5.426 -26.712 234 HB2 LEU 34 HB2 LEU 34 3.037 -3.964 -28.542 235 HB3 LEU 34 HB3 LEU 34 2.159 -3.118 -27.247 236 HG LEU 34 HG LEU 34 4.598 -2.778 -26.276 237 HD11 LEU 34 HD11 LEU 34 5.091 -3.947 -28.860 238 HD12 LEU 34 HD12 LEU 34 6.248 -3.461 -27.597 239 HD13 LEU 34 HD13 LEU 34 5.716 -2.280 -28.817 240 HD21 LEU 34 HD21 LEU 34 3.997 -1.061 -28.644 241 HD22 LEU 34 HD22 LEU 34 4.439 -0.609 -26.980 242 HD23 LEU 34 HD23 LEU 34 2.786 -1.157 -27.344 Start of MODEL 19 1 H1 ALA 1 H ALA 1 1.660 -5.135 -1.009 2 HA ALA 1 HA ALA 1 1.294 -5.142 -3.352 3 HB1 ALA 1 HB1 ALA 1 -0.180 -6.590 -2.351 4 HB2 ALA 1 HB2 ALA 1 -0.972 -5.307 -1.402 5 HB3 ALA 1 HB3 ALA 1 -1.318 -5.470 -3.140 6 H GLU 2 H GLU 2 1.989 -2.845 -3.879 7 HA GLU 2 HA GLU 2 -0.410 -1.442 -4.941 8 HB2 GLU 2 HB2 GLU 2 0.790 0.754 -4.359 9 HB3 GLU 2 HB3 GLU 2 0.008 -0.124 -3.030 10 HG2 GLU 2 HG2 GLU 2 2.073 -0.901 -2.187 11 HG3 GLU 2 HG3 GLU 2 2.941 -0.425 -3.666 12 H CYS 3 H CYS 3 -0.217 -0.968 -7.022 13 HA CYS 3 HA CYS 3 2.553 -0.782 -8.137 14 HB2 CYS 3 HB2 CYS 3 1.550 -1.783 -10.253 15 HB3 CYS 3 HB3 CYS 3 1.715 -2.892 -8.874 16 H LYS 4 H LYS 4 2.366 0.135 -10.513 17 HA LYS 4 HA LYS 4 0.829 2.667 -10.215 18 HB2 LYS 4 HB2 LYS 4 3.098 1.967 -12.117 19 HB3 LYS 4 HB3 LYS 4 2.350 3.565 -11.923 20 HG2 LYS 4 HG2 LYS 4 3.465 2.289 -9.479 21 HG3 LYS 4 HG3 LYS 4 4.622 2.864 -10.705 22 HD2 LYS 4 HD2 LYS 4 2.367 4.611 -9.714 23 HD3 LYS 4 HD3 LYS 4 3.913 4.496 -8.839 24 HE2 LYS 4 HE2 LYS 4 5.132 5.316 -10.728 25 HE3 LYS 4 HE3 LYS 4 3.703 5.187 -11.781 26 HZ1 LYS 4 HZ1 LYS 4 2.731 6.818 -9.967 27 HZ2 LYS 4 HZ2 LYS 4 3.625 7.390 -11.285 28 HZ3 LYS 4 HZ3 LYS 4 4.364 7.217 -9.773 29 H GLY 5 H GLY 5 -0.669 3.352 -11.670 30 HA2 GLY 5 HA2 GLY 5 -1.656 1.266 -13.519 31 HA3 GLY 5 HA3 GLY 5 -2.478 2.778 -13.086 32 H PHE 6 H PHE 6 -2.874 2.633 -15.496 33 HA PHE 6 HA PHE 6 -0.608 3.254 -17.216 34 HB2 PHE 6 HB2 PHE 6 -2.479 2.039 -18.152 35 HB3 PHE 6 HB3 PHE 6 -3.614 3.317 -17.666 36 HD1 PHE 6 HD1 PHE 6 -3.746 5.392 -18.905 37 HD2 PHE 6 HD2 PHE 6 -1.049 2.315 -20.074 38 HE1 PHE 6 HE1 PHE 6 -3.451 6.486 -21.088 39 HE2 PHE 6 HE2 PHE 6 -0.747 3.404 -22.259 40 HZ PHE 6 HZ PHE 6 -1.949 5.491 -22.770 41 H GLY 7 H GLY 7 0.155 5.173 -17.884 42 HA2 GLY 7 HA2 GLY 7 0.043 7.500 -18.337 43 HA3 GLY 7 HA3 GLY 7 -1.486 7.596 -17.442 44 H LYS 8 H LYS 8 0.863 5.819 -15.759 45 HA LYS 8 HA LYS 8 1.290 8.157 -13.968 46 HB2 LYS 8 HB2 LYS 8 1.540 5.160 -13.570 47 HB3 LYS 8 HB3 LYS 8 2.139 6.335 -12.380 48 HG2 LYS 8 HG2 LYS 8 -0.697 6.519 -13.338 49 HG3 LYS 8 HG3 LYS 8 -0.245 5.283 -12.138 50 HD2 LYS 8 HD2 LYS 8 -0.778 6.992 -10.716 51 HD3 LYS 8 HD3 LYS 8 0.939 7.377 -10.990 52 HE2 LYS 8 HE2 LYS 8 0.454 9.155 -12.396 53 HE3 LYS 8 HE3 LYS 8 -1.153 8.519 -12.816 54 HZ1 LYS 8 HZ1 LYS 8 -0.467 10.371 -10.806 55 HZ2 LYS 8 HZ2 LYS 8 -1.127 9.001 -10.066 56 HZ3 LYS 8 HZ3 LYS 8 -2.002 9.823 -11.257 57 H SER 9 H SER 9 3.357 8.662 -13.126 58 HA SER 9 HA SER 9 5.498 8.105 -15.082 59 HB2 SER 9 HB2 SER 9 6.699 9.920 -14.024 60 HB3 SER 9 HB3 SER 9 5.009 10.435 -14.251 61 HG SER 9 HG SER 9 5.550 9.162 -11.833 62 H CYS 10 H CYS 10 6.759 6.402 -14.824 63 HA CYS 10 HA CYS 10 7.561 5.700 -12.029 64 HB2 CYS 10 HB2 CYS 10 7.459 3.359 -12.556 65 HB3 CYS 10 HB3 CYS 10 5.914 4.078 -13.056 66 H VAL 11 H VAL 11 9.558 4.222 -12.050 67 HA VAL 11 HA VAL 11 11.520 5.506 -13.887 68 HB VAL 11 HB VAL 11 11.993 3.928 -11.334 69 HG11 VAL 11 HG11 VAL 11 14.289 4.694 -11.490 70 HG12 VAL 11 HG12 VAL 11 13.850 3.820 -12.978 71 HG13 VAL 11 HG13 VAL 11 13.920 5.599 -12.976 72 HG21 VAL 11 HG21 VAL 11 11.424 5.803 -10.271 73 HG22 VAL 11 HG22 VAL 11 12.830 6.590 -11.026 74 HG23 VAL 11 HG23 VAL 11 11.233 6.683 -11.807 75 HA PRO 12 HA PRO 12 11.872 1.727 -16.172 76 HB2 PRO 12 HB2 PRO 12 14.174 2.344 -17.500 77 HB3 PRO 12 HB3 PRO 12 12.591 3.051 -17.919 78 HG2 PRO 12 HG2 PRO 12 14.834 4.214 -16.278 79 HG3 PRO 12 HG3 PRO 12 13.819 4.996 -17.528 80 HD2 PRO 12 HD2 PRO 12 13.380 5.325 -14.863 81 HD3 PRO 12 HD3 PRO 12 12.056 5.332 -16.069 82 H GLY 13 H GLY 13 12.616 -0.200 -15.567 83 HA2 GLY 13 HA2 GLY 13 14.570 -1.629 -15.176 84 HA3 GLY 13 HA3 GLY 13 15.327 -0.286 -14.298 85 H LYS 14 H LYS 14 12.544 0.235 -13.080 86 HA LYS 14 HA LYS 14 12.946 -1.694 -10.857 87 HB2 LYS 14 HB2 LYS 14 11.534 0.973 -11.095 88 HB3 LYS 14 HB3 LYS 14 11.283 -0.093 -9.699 89 HG2 LYS 14 HG2 LYS 14 13.625 0.018 -9.128 90 HG3 LYS 14 HG3 LYS 14 13.977 0.952 -10.602 91 HD2 LYS 14 HD2 LYS 14 12.272 2.656 -9.687 92 HD3 LYS 14 HD3 LYS 14 12.457 1.800 -8.137 93 HE2 LYS 14 HE2 LYS 14 14.867 2.220 -8.177 94 HE3 LYS 14 HE3 LYS 14 14.709 3.037 -9.752 95 HZ1 LYS 14 HZ1 LYS 14 13.601 3.929 -7.139 96 HZ2 LYS 14 HZ2 LYS 14 13.191 4.638 -8.619 97 HZ3 LYS 14 HZ3 LYS 14 14.790 4.695 -8.069 98 H ASN 15 H ASN 15 10.727 -2.089 -9.624 99 HA ASN 15 HA ASN 15 8.844 -3.117 -11.711 100 HB2 ASN 15 HB2 ASN 15 9.675 -4.248 -9.022 101 HB3 ASN 15 HB3 ASN 15 8.209 -4.794 -9.865 102 HD21 ASN 15 HD21 ASN 15 11.368 -5.469 -9.312 103 HD22 ASN 15 HD22 ASN 15 11.728 -6.423 -10.793 104 H GLU 16 H GLU 16 8.057 -0.789 -11.448 105 HA GLU 16 HA GLU 16 6.342 -0.506 -9.034 106 HB2 GLU 16 HB2 GLU 16 6.784 1.549 -11.219 107 HB3 GLU 16 HB3 GLU 16 6.169 1.813 -9.576 108 HG2 GLU 16 HG2 GLU 16 8.981 0.951 -10.292 109 HG3 GLU 16 HG3 GLU 16 8.475 2.597 -9.842 110 H CYS 17 H CYS 17 6.192 -0.415 -12.604 111 HA CYS 17 HA CYS 17 3.448 0.074 -12.901 112 HB2 CYS 17 HB2 CYS 17 5.473 -1.466 -14.522 113 HB3 CYS 17 HB3 CYS 17 3.766 -1.470 -15.010 114 H CYS 18 H CYS 18 1.657 -1.325 -13.387 115 HA CYS 18 HA CYS 18 1.535 -3.553 -11.505 116 HB2 CYS 18 HB2 CYS 18 -0.307 -1.770 -12.549 117 HB3 CYS 18 HB3 CYS 18 -0.697 -3.274 -13.410 118 H SER 19 H SER 19 -0.095 -5.396 -12.665 119 HA SER 19 HA SER 19 1.830 -6.842 -14.319 120 HB2 SER 19 HB2 SER 19 -0.157 -7.577 -12.524 121 HB3 SER 19 HB3 SER 19 -0.866 -8.009 -14.098 122 HG SER 19 HG SER 19 0.406 -9.716 -13.194 123 H GLY 20 H GLY 20 1.792 -7.237 -16.461 124 HA2 GLY 20 HA2 GLY 20 0.714 -7.432 -18.588 125 HA3 GLY 20 HA3 GLY 20 -0.650 -6.476 -17.978 126 H TYR 21 H TYR 21 1.176 -4.445 -16.796 127 HA TYR 21 HA TYR 21 1.461 -2.867 -19.257 128 HB2 TYR 21 HB2 TYR 21 1.946 -2.173 -16.335 129 HB3 TYR 21 HB3 TYR 21 2.042 -1.020 -17.683 130 HD1 TYR 21 HD2 TYR 21 -0.200 -1.284 -19.285 131 HD2 TYR 21 HD1 TYR 21 0.024 -1.986 -15.095 132 HE1 TYR 21 HE2 TYR 21 -2.613 -0.849 -19.089 133 HE2 TYR 21 HE1 TYR 21 -2.388 -1.552 -14.887 134 HH TYR 21 HH TYR 21 -4.317 -0.493 -17.678 135 H ALA 22 H ALA 22 3.484 -1.302 -19.190 136 HA ALA 22 HA ALA 22 5.927 -2.797 -18.435 137 HB1 ALA 22 HB1 ALA 22 6.569 -1.907 -20.982 138 HB2 ALA 22 HB2 ALA 22 6.220 -3.587 -20.505 139 HB3 ALA 22 HB3 ALA 22 4.924 -2.561 -21.166 140 H CYS 23 H CYS 23 7.374 -1.476 -17.567 141 HA CYS 23 HA CYS 23 6.878 1.371 -17.496 142 HB2 CYS 23 HB2 CYS 23 8.139 -0.293 -15.822 143 HB3 CYS 23 HB3 CYS 23 9.555 0.248 -16.748 144 H ASN 24 H ASN 24 6.922 2.198 -19.572 145 HA ASN 24 HA ASN 24 9.097 1.688 -21.394 146 HB2 ASN 24 HB2 ASN 24 6.652 2.617 -21.794 147 HB3 ASN 24 HB3 ASN 24 7.432 4.194 -21.540 148 HD21 ASN 24 HD21 ASN 24 6.175 3.307 -23.925 149 HD22 ASN 24 HD22 ASN 24 7.447 3.230 -25.193 150 H SER 25 H SER 25 11.125 2.278 -21.054 151 HA SER 25 HA SER 25 11.862 4.374 -19.234 152 HB2 SER 25 HB2 SER 25 14.052 3.751 -19.667 153 HB3 SER 25 HB3 SER 25 13.197 2.280 -20.190 154 HG SER 25 HG SER 25 14.749 3.011 -21.741 155 H ARG 26 H ARG 26 11.000 4.321 -22.594 156 HA ARG 26 HA ARG 26 12.380 6.532 -23.608 157 HB2 ARG 26 HB2 ARG 26 9.717 5.277 -24.148 158 HB3 ARG 26 HB3 ARG 26 10.029 6.878 -24.850 159 HG2 ARG 26 HG2 ARG 26 11.927 4.555 -25.196 160 HG3 ARG 26 HG3 ARG 26 10.560 4.858 -26.297 161 HD2 ARG 26 HD2 ARG 26 11.504 7.229 -26.534 162 HD3 ARG 26 HD3 ARG 26 12.975 6.595 -25.758 163 HE ARG 26 HE ARG 26 12.072 5.013 -28.039 164 HH11 ARG 26 HH11 ARG 26 13.957 7.801 -26.965 165 HH12 ARG 26 HH12 ARG 26 15.001 7.794 -28.390 166 HH21 ARG 26 HH21 ARG 26 13.425 5.013 -29.873 167 HH22 ARG 26 HH22 ARG 26 14.703 6.223 -30.029 168 H ASP 27 H ASP 27 9.100 6.589 -22.136 169 HA ASP 27 HA ASP 27 9.567 9.484 -21.561 170 HB2 ASP 27 HB2 ASP 27 7.458 8.293 -22.886 171 HB3 ASP 27 HB3 ASP 27 6.823 8.442 -21.231 172 H LYS 28 H LYS 28 10.078 6.715 -20.081 173 HA LYS 28 HA LYS 28 10.040 5.971 -17.905 174 HB2 LYS 28 HB2 LYS 28 10.079 8.976 -17.520 175 HB3 LYS 28 HB3 LYS 28 10.176 7.847 -16.154 176 HG2 LYS 28 HG2 LYS 28 12.366 7.698 -16.457 177 HG3 LYS 28 HG3 LYS 28 12.084 6.999 -18.071 178 HD2 LYS 28 HD2 LYS 28 12.209 9.110 -19.123 179 HD3 LYS 28 HD3 LYS 28 12.035 9.980 -17.580 180 HE2 LYS 28 HE2 LYS 28 14.305 10.187 -18.026 181 HE3 LYS 28 HE3 LYS 28 14.250 8.780 -16.937 182 HZ1 LYS 28 HZ1 LYS 28 13.958 7.751 -19.474 183 HZ2 LYS 28 HZ2 LYS 28 15.347 7.687 -18.511 184 HZ3 LYS 28 HZ3 LYS 28 15.155 8.936 -19.636 185 H TRP 29 H TRP 29 7.681 5.456 -18.826 186 HA TRP 29 HA TRP 29 5.909 6.075 -16.546 187 HB2 TRP 29 HB2 TRP 29 4.067 6.843 -17.870 188 HB3 TRP 29 HB3 TRP 29 5.482 7.808 -18.348 189 HD1 TRP 29 HD1 TRP 29 6.824 5.981 -20.478 190 HE1 TRP 29 HE1 TRP 29 5.678 5.467 -22.750 191 HE3 TRP 29 HE3 TRP 29 1.995 6.969 -19.120 192 HZ2 TRP 29 HZ2 TRP 29 3.038 5.498 -23.768 193 HZ3 TRP 29 HZ3 TRP 29 0.220 6.704 -20.802 194 HH2 TRP 29 HH2 TRP 29 0.731 5.984 -23.078 195 H CYS 30 H CYS 30 3.579 4.957 -17.375 196 HA CYS 30 HA CYS 30 4.434 2.144 -17.917 197 HB2 CYS 30 HB2 CYS 30 1.996 3.222 -16.450 198 HB3 CYS 30 HB3 CYS 30 2.312 1.504 -16.765 199 H LYS 31 H LYS 31 3.180 0.817 -19.276 200 HA LYS 31 HA LYS 31 0.997 2.043 -20.807 201 HB2 LYS 31 HB2 LYS 31 2.143 1.537 -23.010 202 HB3 LYS 31 HB3 LYS 31 2.797 2.920 -22.111 203 HG2 LYS 31 HG2 LYS 31 4.739 1.773 -21.509 204 HG3 LYS 31 HG3 LYS 31 4.017 0.181 -21.850 205 HD2 LYS 31 HD2 LYS 31 4.397 2.224 -24.036 206 HD3 LYS 31 HD3 LYS 31 5.729 1.155 -23.531 207 HE2 LYS 31 HE2 LYS 31 4.678 -0.747 -24.303 208 HE3 LYS 31 HE3 LYS 31 3.052 -0.044 -24.141 209 HZ1 LYS 31 HZ1 LYS 31 3.125 0.476 -26.278 210 HZ2 LYS 31 HZ2 LYS 31 4.686 -0.156 -26.424 211 HZ3 LYS 31 HZ3 LYS 31 4.467 1.473 -26.021 212 H VAL 32 H VAL 32 0.012 0.508 -22.349 213 HA VAL 32 HA VAL 32 -0.102 -2.133 -21.113 214 HB VAL 32 HB VAL 32 -1.457 -1.139 -23.644 215 HG11 VAL 32 HG11 VAL 32 -1.544 -3.663 -22.087 216 HG12 VAL 32 HG12 VAL 32 -3.116 -3.003 -22.604 217 HG13 VAL 32 HG13 VAL 32 -1.859 -3.363 -23.813 218 HG21 VAL 32 HG21 VAL 32 -2.759 0.115 -22.347 219 HG22 VAL 32 HG22 VAL 32 -3.266 -1.345 -21.463 220 HG23 VAL 32 HG23 VAL 32 -1.861 -0.407 -20.901 221 H LEU 33 H LEU 33 1.249 -3.730 -21.539 222 HA LEU 33 HA LEU 33 3.201 -3.730 -23.546 223 HB2 LEU 33 HB2 LEU 33 1.864 -5.893 -21.947 224 HB3 LEU 33 HB3 LEU 33 3.009 -6.329 -23.236 225 HG LEU 33 HG LEU 33 3.722 -4.474 -20.952 226 HD11 LEU 33 HD11 LEU 33 4.986 -6.981 -20.640 227 HD12 LEU 33 HD12 LEU 33 3.252 -7.308 -20.880 228 HD13 LEU 33 HD13 LEU 33 3.780 -6.217 -19.577 229 HD21 LEU 33 HD21 LEU 33 5.257 -4.177 -22.695 230 HD22 LEU 33 HD22 LEU 33 5.238 -5.902 -23.134 231 HD23 LEU 33 HD23 LEU 33 6.038 -5.373 -21.633 232 H LEU 34 H LEU 34 3.409 -4.534 -25.599 233 HA LEU 34 HA LEU 34 0.828 -5.306 -26.902 234 HB2 LEU 34 HB2 LEU 34 1.678 -3.149 -27.669 235 HB3 LEU 34 HB3 LEU 34 3.248 -3.891 -28.058 236 HG LEU 34 HG LEU 34 2.079 -5.292 -29.776 237 HD11 LEU 34 HD11 LEU 34 -0.166 -5.320 -29.018 238 HD12 LEU 34 HD12 LEU 34 -0.164 -4.378 -30.529 239 HD13 LEU 34 HD13 LEU 34 -0.248 -3.543 -28.959 240 HD21 LEU 34 HD21 LEU 34 1.404 -2.960 -31.074 241 HD22 LEU 34 HD22 LEU 34 3.038 -3.660 -30.976 242 HD23 LEU 34 HD23 LEU 34 2.541 -2.396 -29.826 Start of MODEL 20 1 H1 ALA 1 H ALA 1 4.747 0.751 -1.489 2 HA ALA 1 HA ALA 1 3.951 -1.379 -1.419 3 HB1 ALA 1 HB1 ALA 1 1.511 -0.864 -0.374 4 HB2 ALA 1 HB2 ALA 1 3.042 -0.567 0.487 5 HB3 ALA 1 HB3 ALA 1 2.214 0.770 -0.349 6 H GLU 2 H GLU 2 2.059 0.748 -3.471 7 HA GLU 2 HA GLU 2 0.704 -1.677 -4.585 8 HB2 GLU 2 HB2 GLU 2 -0.285 1.200 -4.588 9 HB3 GLU 2 HB3 GLU 2 -1.128 -0.193 -5.294 10 HG2 GLU 2 HG2 GLU 2 -1.351 -1.202 -3.083 11 HG3 GLU 2 HG3 GLU 2 -0.474 0.167 -2.361 12 H CYS 3 H CYS 3 0.457 -1.833 -6.840 13 HA CYS 3 HA CYS 3 2.710 -0.833 -8.318 14 HB2 CYS 3 HB2 CYS 3 1.565 -1.865 -10.280 15 HB3 CYS 3 HB3 CYS 3 1.694 -2.964 -8.891 16 H LYS 4 H LYS 4 2.216 0.114 -10.638 17 HA LYS 4 HA LYS 4 0.606 2.580 -10.137 18 HB2 LYS 4 HB2 LYS 4 2.932 2.077 -12.029 19 HB3 LYS 4 HB3 LYS 4 2.017 3.594 -11.934 20 HG2 LYS 4 HG2 LYS 4 2.694 3.366 -9.356 21 HG3 LYS 4 HG3 LYS 4 4.045 2.459 -10.081 22 HD2 LYS 4 HD2 LYS 4 4.893 4.302 -11.150 23 HD3 LYS 4 HD3 LYS 4 3.300 5.084 -11.299 24 HE2 LYS 4 HE2 LYS 4 3.461 5.221 -8.678 25 HE3 LYS 4 HE3 LYS 4 5.205 5.034 -8.977 26 HZ1 LYS 4 HZ1 LYS 4 4.727 7.341 -8.921 27 HZ2 LYS 4 HZ2 LYS 4 3.417 7.189 -9.981 28 HZ3 LYS 4 HZ3 LYS 4 4.994 6.953 -10.546 29 H GLY 5 H GLY 5 -0.768 3.405 -11.738 30 HA2 GLY 5 HA2 GLY 5 -1.815 1.280 -13.520 31 HA3 GLY 5 HA3 GLY 5 -2.615 2.810 -13.114 32 H PHE 6 H PHE 6 -2.987 2.580 -15.541 33 HA PHE 6 HA PHE 6 -0.711 3.153 -17.255 34 HB2 PHE 6 HB2 PHE 6 -2.577 1.949 -18.193 35 HB3 PHE 6 HB3 PHE 6 -3.715 3.226 -17.711 36 HD1 PHE 6 HD2 PHE 6 -1.027 2.317 -20.056 37 HD2 PHE 6 HD1 PHE 6 -3.982 5.198 -19.022 38 HE1 PHE 6 HE2 PHE 6 -0.733 3.396 -22.247 39 HE2 PHE 6 HE1 PHE 6 -3.695 6.283 -21.212 40 HZ PHE 6 HZ PHE 6 -2.069 5.382 -22.827 41 H GLY 7 H GLY 7 0.120 5.045 -17.885 42 HA2 GLY 7 HA2 GLY 7 0.007 7.368 -18.423 43 HA3 GLY 7 HA3 GLY 7 -1.502 7.503 -17.499 44 H LYS 8 H LYS 8 0.857 5.715 -15.838 45 HA LYS 8 HA LYS 8 1.348 8.066 -14.084 46 HB2 LYS 8 HB2 LYS 8 1.618 5.073 -13.665 47 HB3 LYS 8 HB3 LYS 8 2.217 6.267 -12.496 48 HG2 LYS 8 HG2 LYS 8 -0.635 6.373 -13.427 49 HG3 LYS 8 HG3 LYS 8 -0.136 5.201 -12.181 50 HD2 LYS 8 HD2 LYS 8 -0.691 6.954 -10.824 51 HD3 LYS 8 HD3 LYS 8 1.010 7.376 -11.145 52 HE2 LYS 8 HE2 LYS 8 0.461 9.119 -12.531 53 HE3 LYS 8 HE3 LYS 8 -1.073 8.375 -13.042 54 HZ1 LYS 8 HZ1 LYS 8 -1.495 10.284 -11.657 55 HZ2 LYS 8 HZ2 LYS 8 -0.527 9.668 -10.415 56 HZ3 LYS 8 HZ3 LYS 8 -1.972 8.889 -10.828 57 H SER 9 H SER 9 3.459 8.477 -13.219 58 HA SER 9 HA SER 9 5.560 7.839 -15.227 59 HB2 SER 9 HB2 SER 9 5.468 9.936 -13.018 60 HB3 SER 9 HB3 SER 9 6.807 9.718 -14.170 61 HG SER 9 HG SER 9 5.327 11.368 -14.826 62 H CYS 10 H CYS 10 6.897 6.229 -14.824 63 HA CYS 10 HA CYS 10 7.731 5.802 -11.985 64 HB2 CYS 10 HB2 CYS 10 7.604 3.418 -12.243 65 HB3 CYS 10 HB3 CYS 10 6.048 4.087 -12.777 66 H VAL 11 H VAL 11 9.723 4.321 -11.897 67 HA VAL 11 HA VAL 11 11.676 5.469 -13.800 68 HB VAL 11 HB VAL 11 12.125 3.782 -11.314 69 HG11 VAL 11 HG11 VAL 11 14.449 4.451 -11.487 70 HG12 VAL 11 HG12 VAL 11 13.944 3.651 -12.997 71 HG13 VAL 11 HG13 VAL 11 14.094 5.423 -12.935 72 HG21 VAL 11 HG21 VAL 11 12.557 6.759 -11.648 73 HG22 VAL 11 HG22 VAL 11 11.060 6.059 -10.988 74 HG23 VAL 11 HG23 VAL 11 12.608 5.799 -10.149 75 HA PRO 12 HA PRO 12 11.816 1.759 -16.220 76 HB2 PRO 12 HB2 PRO 12 14.119 2.320 -17.571 77 HB3 PRO 12 HB3 PRO 12 12.562 3.109 -17.933 78 HG2 PRO 12 HG2 PRO 12 14.883 4.115 -16.299 79 HG3 PRO 12 HG3 PRO 12 13.883 4.985 -17.502 80 HD2 PRO 12 HD2 PRO 12 13.507 5.239 -14.819 81 HD3 PRO 12 HD3 PRO 12 12.164 5.347 -15.999 82 H GLY 13 H GLY 13 12.447 -0.207 -15.623 83 HA2 GLY 13 HA2 GLY 13 14.337 -1.750 -15.334 84 HA3 GLY 13 HA3 GLY 13 15.196 -0.468 -14.459 85 H LYS 14 H LYS 14 12.483 0.180 -13.143 86 HA LYS 14 HA LYS 14 12.881 -1.752 -10.933 87 HB2 LYS 14 HB2 LYS 14 11.427 0.895 -11.181 88 HB3 LYS 14 HB3 LYS 14 11.233 -0.154 -9.764 89 HG2 LYS 14 HG2 LYS 14 13.690 -0.052 -9.406 90 HG3 LYS 14 HG3 LYS 14 13.802 1.100 -10.760 91 HD2 LYS 14 HD2 LYS 14 12.342 2.661 -9.574 92 HD3 LYS 14 HD3 LYS 14 12.167 1.501 -8.235 93 HE2 LYS 14 HE2 LYS 14 13.837 2.795 -7.369 94 HE3 LYS 14 HE3 LYS 14 14.830 1.634 -8.283 95 HZ1 LYS 14 HZ1 LYS 14 15.201 3.177 -9.968 96 HZ2 LYS 14 HZ2 LYS 14 15.313 4.112 -8.564 97 HZ3 LYS 14 HZ3 LYS 14 13.911 4.171 -9.508 98 H ASN 15 H ASN 15 10.635 -2.074 -9.665 99 HA ASN 15 HA ASN 15 8.752 -3.168 -11.718 100 HB2 ASN 15 HB2 ASN 15 8.145 -4.753 -9.703 101 HB3 ASN 15 HB3 ASN 15 9.583 -5.087 -10.694 102 HD21 ASN 15 HD21 ASN 15 11.601 -4.905 -9.838 103 HD22 ASN 15 HD22 ASN 15 11.887 -4.616 -8.086 104 H GLU 16 H GLU 16 7.980 -0.822 -11.461 105 HA GLU 16 HA GLU 16 6.263 -0.542 -9.047 106 HB2 GLU 16 HB2 GLU 16 6.805 1.511 -11.219 107 HB3 GLU 16 HB3 GLU 16 6.069 1.793 -9.630 108 HG2 GLU 16 HG2 GLU 16 8.319 0.899 -8.695 109 HG3 GLU 16 HG3 GLU 16 8.939 1.242 -10.328 110 H CYS 17 H CYS 17 6.148 -0.514 -12.610 111 HA CYS 17 HA CYS 17 3.415 0.044 -12.945 112 HB2 CYS 17 HB2 CYS 17 5.465 -1.488 -14.518 113 HB3 CYS 17 HB3 CYS 17 3.761 -1.602 -15.009 114 H CYS 18 H CYS 18 1.582 -1.284 -13.352 115 HA CYS 18 HA CYS 18 1.441 -3.528 -11.486 116 HB2 CYS 18 HB2 CYS 18 -0.370 -1.669 -12.461 117 HB3 CYS 18 HB3 CYS 18 -0.843 -3.159 -13.308 118 H SER 19 H SER 19 -0.237 -5.336 -12.562 119 HA SER 19 HA SER 19 1.557 -6.869 -14.233 120 HB2 SER 19 HB2 SER 19 -0.342 -7.587 -12.488 121 HB3 SER 19 HB3 SER 19 -1.334 -7.630 -13.965 122 HG SER 19 HG SER 19 -0.318 -9.658 -13.512 123 H GLY 20 H GLY 20 1.665 -7.088 -16.378 124 HA2 GLY 20 HA2 GLY 20 0.725 -7.171 -18.573 125 HA3 GLY 20 HA3 GLY 20 -0.672 -6.238 -18.004 126 H TYR 21 H TYR 21 1.205 -4.327 -16.603 127 HA TYR 21 HA TYR 21 1.600 -2.614 -18.970 128 HB2 TYR 21 HB2 TYR 21 1.928 -2.066 -15.994 129 HB3 TYR 21 HB3 TYR 21 2.101 -0.851 -17.280 130 HD1 TYR 21 HD2 TYR 21 -0.097 -1.238 -19.040 131 HD2 TYR 21 HD1 TYR 21 -0.014 -1.705 -14.813 132 HE1 TYR 21 HE2 TYR 21 -2.514 -0.795 -18.949 133 HE2 TYR 21 HE1 TYR 21 -2.430 -1.264 -14.710 134 HH TYR 21 HH TYR 21 -4.310 -0.591 -17.674 135 H ALA 22 H ALA 22 3.606 -1.207 -19.008 136 HA ALA 22 HA ALA 22 6.006 -2.666 -18.033 137 HB1 ALA 22 HB1 ALA 22 6.635 -1.773 -20.647 138 HB2 ALA 22 HB2 ALA 22 6.539 -3.446 -20.047 139 HB3 ALA 22 HB3 ALA 22 5.102 -2.672 -20.760 140 H CYS 23 H CYS 23 7.750 -1.392 -17.571 141 HA CYS 23 HA CYS 23 7.179 1.476 -17.386 142 HB2 CYS 23 HB2 CYS 23 9.110 -0.438 -16.230 143 HB3 CYS 23 HB3 CYS 23 9.794 1.166 -16.570 144 H ASN 24 H ASN 24 7.140 2.240 -19.495 145 HA ASN 24 HA ASN 24 9.312 1.716 -21.337 146 HB2 ASN 24 HB2 ASN 24 6.820 2.487 -21.761 147 HB3 ASN 24 HB3 ASN 24 7.509 4.117 -21.587 148 HD21 ASN 24 HD21 ASN 24 8.691 1.080 -23.051 149 HD22 ASN 24 HD22 ASN 24 9.008 1.800 -24.669 150 H SER 25 H SER 25 11.311 2.368 -20.871 151 HA SER 25 HA SER 25 11.937 4.611 -19.228 152 HB2 SER 25 HB2 SER 25 14.157 4.084 -19.633 153 HB3 SER 25 HB3 SER 25 13.379 2.543 -20.072 154 HG SER 25 HG SER 25 14.893 3.265 -21.665 155 H ARG 26 H ARG 26 11.012 4.373 -22.545 156 HA ARG 26 HA ARG 26 12.302 6.562 -23.715 157 HB2 ARG 26 HB2 ARG 26 10.638 4.879 -24.737 158 HB3 ARG 26 HB3 ARG 26 9.365 5.972 -24.160 159 HG2 ARG 26 HG2 ARG 26 9.699 6.598 -26.383 160 HG3 ARG 26 HG3 ARG 26 10.616 7.809 -25.449 161 HD2 ARG 26 HD2 ARG 26 12.028 5.331 -26.350 162 HD3 ARG 26 HD3 ARG 26 11.657 6.581 -27.560 163 HE ARG 26 HE ARG 26 13.643 6.704 -25.430 164 HH11 ARG 26 HH11 ARG 26 11.535 8.557 -27.572 165 HH12 ARG 26 HH12 ARG 26 12.538 10.011 -27.502 166 HH21 ARG 26 HH21 ARG 26 14.935 8.582 -25.344 167 HH22 ARG 26 HH22 ARG 26 14.455 10.023 -26.247 168 H ASP 27 H ASP 27 9.072 6.617 -22.137 169 HA ASP 27 HA ASP 27 9.525 9.536 -21.660 170 HB2 ASP 27 HB2 ASP 27 7.454 8.380 -23.035 171 HB3 ASP 27 HB3 ASP 27 6.767 8.482 -21.398 172 H LYS 28 H LYS 28 10.034 6.832 -20.107 173 HA LYS 28 HA LYS 28 9.953 6.128 -17.919 174 HB2 LYS 28 HB2 LYS 28 10.030 9.132 -17.703 175 HB3 LYS 28 HB3 LYS 28 9.867 8.153 -16.232 176 HG2 LYS 28 HG2 LYS 28 11.993 7.371 -16.346 177 HG3 LYS 28 HG3 LYS 28 12.015 7.369 -18.128 178 HD2 LYS 28 HD2 LYS 28 11.975 9.961 -17.884 179 HD3 LYS 28 HD3 LYS 28 12.505 9.642 -16.213 180 HE2 LYS 28 HE2 LYS 28 13.929 8.313 -18.498 181 HE3 LYS 28 HE3 LYS 28 14.260 10.025 -18.137 182 HZ1 LYS 28 HZ1 LYS 28 15.408 7.856 -16.921 183 HZ2 LYS 28 HZ2 LYS 28 14.283 8.396 -15.781 184 HZ3 LYS 28 HZ3 LYS 28 15.466 9.454 -16.371 185 H TRP 29 H TRP 29 7.634 5.536 -18.898 186 HA TRP 29 HA TRP 29 5.779 6.166 -16.683 187 HB2 TRP 29 HB2 TRP 29 3.958 6.840 -18.085 188 HB3 TRP 29 HB3 TRP 29 5.361 7.826 -18.558 189 HD1 TRP 29 HD1 TRP 29 6.812 5.987 -20.593 190 HE1 TRP 29 HE1 TRP 29 5.742 5.354 -22.872 191 HE3 TRP 29 HE3 TRP 29 1.917 6.837 -19.383 192 HZ2 TRP 29 HZ2 TRP 29 3.130 5.254 -23.953 193 HZ3 TRP 29 HZ3 TRP 29 0.195 6.450 -21.097 194 HH2 TRP 29 HH2 TRP 29 0.790 5.675 -23.334 195 H CYS 30 H CYS 30 3.517 4.946 -17.502 196 HA CYS 30 HA CYS 30 4.465 2.153 -17.991 197 HB2 CYS 30 HB2 CYS 30 2.025 3.179 -16.492 198 HB3 CYS 30 HB3 CYS 30 2.370 1.465 -16.806 199 H LYS 31 H LYS 31 3.271 0.773 -19.337 200 HA LYS 31 HA LYS 31 0.992 1.861 -20.825 201 HB2 LYS 31 HB2 LYS 31 2.076 1.537 -23.049 202 HB3 LYS 31 HB3 LYS 31 2.785 2.864 -22.106 203 HG2 LYS 31 HG2 LYS 31 4.785 1.818 -21.873 204 HG3 LYS 31 HG3 LYS 31 4.058 0.193 -21.827 205 HD2 LYS 31 HD2 LYS 31 3.479 0.887 -24.372 206 HD3 LYS 31 HD3 LYS 31 4.978 1.820 -24.137 207 HE2 LYS 31 HE2 LYS 31 4.697 -1.138 -23.534 208 HE3 LYS 31 HE3 LYS 31 5.311 -0.486 -25.073 209 HZ1 LYS 31 HZ1 LYS 31 6.658 0.699 -22.869 210 HZ2 LYS 31 HZ2 LYS 31 7.295 -0.185 -24.161 211 HZ3 LYS 31 HZ3 LYS 31 6.762 -0.987 -22.772 212 H VAL 32 H VAL 32 -0.216 0.295 -21.882 213 HA VAL 32 HA VAL 32 -0.078 -2.326 -20.814 214 HB VAL 32 HB VAL 32 -1.417 -1.408 -23.381 215 HG11 VAL 32 HG11 VAL 32 -2.913 -3.467 -22.294 216 HG12 VAL 32 HG12 VAL 32 -1.806 -3.593 -23.683 217 HG13 VAL 32 HG13 VAL 32 -1.236 -4.006 -22.048 218 HG21 VAL 32 HG21 VAL 32 -2.005 -0.231 -21.183 219 HG22 VAL 32 HG22 VAL 32 -3.347 -0.942 -22.110 220 HG23 VAL 32 HG23 VAL 32 -2.711 -1.785 -20.676 221 H LEU 33 H LEU 33 1.379 -3.852 -21.138 222 HA LEU 33 HA LEU 33 3.376 -3.825 -23.099 223 HB2 LEU 33 HB2 LEU 33 2.099 -6.048 -21.514 224 HB3 LEU 33 HB3 LEU 33 3.396 -6.382 -22.685 225 HG LEU 33 HG LEU 33 3.836 -4.327 -20.541 226 HD11 LEU 33 HD11 LEU 33 3.417 -5.844 -18.948 227 HD12 LEU 33 HD12 LEU 33 4.920 -6.628 -19.492 228 HD13 LEU 33 HD13 LEU 33 3.349 -7.188 -20.115 229 HD21 LEU 33 HD21 LEU 33 5.575 -4.434 -22.124 230 HD22 LEU 33 HD22 LEU 33 5.528 -6.212 -22.187 231 HD23 LEU 33 HD23 LEU 33 6.157 -5.389 -20.739 232 H LEU 34 H LEU 34 3.705 -4.810 -25.083 233 HA LEU 34 HA LEU 34 1.224 -5.847 -26.393 234 HB2 LEU 34 HB2 LEU 34 1.994 -4.800 -28.485 235 HB3 LEU 34 HB3 LEU 34 1.664 -3.611 -27.204 236 HG LEU 34 HG LEU 34 4.478 -4.560 -27.634 237 HD11 LEU 34 HD11 LEU 34 3.510 -3.975 -29.878 238 HD12 LEU 34 HD12 LEU 34 4.870 -2.951 -29.356 239 HD13 LEU 34 HD13 LEU 34 3.204 -2.338 -29.247 240 HD21 LEU 34 HD21 LEU 34 4.450 -1.844 -27.201 241 HD22 LEU 34 HD22 LEU 34 4.663 -3.092 -25.952 242 HD23 LEU 34 HD23 LEU 34 3.051 -2.400 -26.252
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