NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613655 | 2nbl | 25982 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN1 NH2 0 H1 THR 1 22.522 -4.556 11.503 2 HN2 NH2 0 H2 THR 1 23.477 -4.721 12.897 3 H THR 1 HN THR 1 25.483 -6.211 8.948 4 HA THR 1 HA THR 1 22.673 -5.909 9.694 5 HB THR 1 HB THR 1 22.932 -8.203 10.554 6 HG1 THR 1 HG1 THR 1 24.823 -9.014 10.774 7 HG21 THR 1 HG21 THR 1 22.461 -7.531 8.023 8 HG22 THR 1 HG22 THR 1 22.672 -9.218 8.484 9 HG23 THR 1 HG23 THR 1 24.012 -8.330 7.768 10 H GLU 2 HN GLU 2 24.332 -2.558 6.862 11 HA GLU 2 HA GLU 2 25.693 -5.003 6.643 12 HB2 GLU 2 HB2 GLU 2 27.049 -4.896 8.727 13 HB3 GLU 2 HB1 GLU 2 27.639 -3.829 7.462 14 HG2 GLU 2 HG2 GLU 2 27.664 -2.657 9.607 15 HG3 GLU 2 HG1 GLU 2 26.468 -1.924 8.545 16 H ILE 3 HN ILE 3 27.209 -0.136 4.568 17 HA ILE 3 HA ILE 3 24.529 -0.949 5.484 18 HB ILE 3 HB ILE 3 24.823 -0.589 3.078 19 HG12 ILE 3 HG12 ILE 3 23.981 -2.772 2.298 20 HG13 ILE 3 HG11 ILE 3 24.528 -3.533 3.785 21 HG21 ILE 3 HG21 ILE 3 26.478 -1.590 1.794 22 HG22 ILE 3 HG22 ILE 3 26.645 -2.975 2.864 23 HG23 ILE 3 HG23 ILE 3 27.350 -1.422 3.310 24 HD11 ILE 3 HD11 ILE 3 22.710 -1.164 4.019 25 HD12 ILE 3 HD12 ILE 3 22.831 -2.599 5.037 26 HD13 ILE 3 HD13 ILE 3 22.016 -2.693 3.480 27 H ARG 4 HN ARG 4 26.368 3.612 5.541 28 HA ARG 4 HA ARG 4 28.317 1.410 5.797 29 HB2 ARG 4 HB2 ARG 4 26.642 2.793 7.909 30 HB3 ARG 4 HB1 ARG 4 27.752 1.470 8.214 31 HG2 ARG 4 HG2 ARG 4 28.820 3.566 8.812 32 HG3 ARG 4 HG1 ARG 4 29.625 2.903 7.403 33 HD2 ARG 4 HD2 ARG 4 29.252 5.342 7.231 34 HD3 ARG 4 HD1 ARG 4 28.445 4.475 5.952 35 HE ARG 4 HE ARG 4 26.456 5.310 6.786 36 HH11 ARG 4 HH11 ARG 4 25.093 6.193 8.365 37 HH12 ARG 4 HH12 ARG 4 25.699 6.485 9.962 38 HH21 ARG 4 HH21 ARG 4 28.884 5.319 9.258 39 HH22 ARG 4 HH22 ARG 4 27.840 5.990 10.466 40 H VAL 5 HN VAL 5 28.802 5.201 2.535 41 HA VAL 5 HA VAL 5 26.108 4.595 3.590 42 HB VAL 5 HB VAL 5 26.006 2.989 1.740 43 HG11 VAL 5 HG11 VAL 5 26.110 4.680 -0.093 44 HG12 VAL 5 HG12 VAL 5 26.987 5.756 0.995 45 HG13 VAL 5 HG13 VAL 5 25.321 5.301 1.358 46 HG21 VAL 5 HG21 VAL 5 28.042 3.399 0.021 47 HG22 VAL 5 HG22 VAL 5 28.129 2.152 1.257 48 HG23 VAL 5 HG23 VAL 5 28.921 3.706 1.519 49 H8 4FU 6 HAM 4FU 6 27.934 8.932 4.782 50 H9 4FU 6 HAI 4FU 6 29.121 10.831 3.757 51 HAI 4FU 6 HAJ 4FU 6 30.254 9.702 4.531 52 H112 4FU 6 HAE 4FU 6 31.102 10.388 2.332 53 H111 4FU 6 HAF 4FU 6 29.603 9.818 1.563 54 HAG 4FU 6 HAG 4FU 6 31.393 8.127 1.361 55 H12 4FU 6 HAH 4FU 6 31.583 8.120 3.130 56 HAL 4FU 6 HAL 4FU 6 30.193 6.230 2.373 57 HAK 4FU 6 HAK 4FU 6 29.056 7.360 1.601 58 H14 4FU 6 HAN 4FU 6 29.738 7.265 4.565 59 H GLY 7 HN GLY 7 26.336 7.503 3.359 60 HA2 GLY 7 HA2 GLY 7 25.344 9.273 1.217 61 HA3 GLY 7 HA1 GLY 7 25.554 7.566 0.866 62 H VAL 8 HN VAL 8 24.834 7.685 4.006 63 HA VAL 8 HA VAL 8 22.936 7.670 5.345 64 HB VAL 8 HB VAL 8 21.283 7.975 2.814 65 HG11 VAL 8 HG11 VAL 8 20.628 7.895 5.734 66 HG12 VAL 8 HG12 VAL 8 19.753 7.196 4.368 67 HG13 VAL 8 HG13 VAL 8 19.675 8.925 4.670 68 HG21 VAL 8 HG21 VAL 8 22.506 9.990 2.930 69 HG22 VAL 8 HG22 VAL 8 22.543 9.974 4.693 70 HG23 VAL 8 HG23 VAL 8 21.050 10.372 3.845 71 H THR 9 HN THR 9 20.806 6.196 5.397 72 HA THR 9 HA THR 9 19.926 4.125 5.513 73 HB THR 9 HB THR 9 20.305 2.495 3.712 74 HG1 THR 9 HG1 THR 9 21.516 3.341 1.889 75 HG21 THR 9 HG21 THR 9 19.348 3.947 1.910 76 HG22 THR 9 HG22 THR 9 19.673 5.340 2.941 77 HG23 THR 9 HG23 THR 9 18.549 4.088 3.476 78 H ILE 10 HN ILE 10 20.356 1.905 5.959 79 HA ILE 10 HA ILE 10 23.054 1.037 6.501 80 HB ILE 10 HB ILE 10 22.743 2.613 8.357 81 HG12 ILE 10 HG12 ILE 10 22.530 -0.275 9.279 82 HG13 ILE 10 HG11 ILE 10 24.019 0.520 8.768 83 HG21 ILE 10 HG21 ILE 10 20.940 2.470 9.889 84 HG22 ILE 10 HG22 ILE 10 20.458 0.879 9.305 85 HG23 ILE 10 HG23 ILE 10 20.187 2.305 8.304 86 HD11 ILE 10 HD11 ILE 10 22.296 1.189 11.162 87 HD12 ILE 10 HD12 ILE 10 23.566 2.259 10.568 88 HD13 ILE 10 HD13 ILE 10 23.975 0.650 11.158 89 H ARG 11 HN ARG 11 19.624 0.623 7.356 90 HA ARG 11 HA ARG 11 19.902 -2.218 7.710 91 HB2 ARG 11 HB2 ARG 11 17.483 -2.112 8.175 92 HB3 ARG 11 HB1 ARG 11 18.390 -0.935 9.126 93 HG2 ARG 11 HG2 ARG 11 17.841 0.820 7.472 94 HG3 ARG 11 HG1 ARG 11 16.908 -0.353 6.542 95 HD2 ARG 11 HD2 ARG 11 16.366 0.441 9.410 96 HD3 ARG 11 HD1 ARG 11 15.452 0.988 8.008 97 HE ARG 11 HE ARG 11 15.455 -1.816 7.982 98 HH11 ARG 11 HH11 ARG 11 13.617 -2.906 8.762 99 HH12 ARG 11 HH12 ARG 11 12.545 -2.102 9.859 100 HH21 ARG 11 HH21 ARG 11 14.407 0.833 9.902 101 HH22 ARG 11 HH22 ARG 11 12.993 0.032 10.511 102 H MET 12 HN MET 12 17.761 -3.371 6.660 103 HA MET 12 HA MET 12 16.930 -4.348 4.763 104 HB2 MET 12 HB2 MET 12 15.884 -2.141 4.444 105 HB3 MET 12 HB1 MET 12 17.328 -1.568 3.615 106 HG2 MET 12 HG2 MET 12 15.605 -2.228 1.991 107 HG3 MET 12 HG1 MET 12 17.004 -3.289 1.863 108 HE1 MET 12 HE1 MET 12 15.535 -4.504 0.454 109 HE2 MET 12 HE2 MET 12 13.829 -4.232 0.799 110 HE3 MET 12 HE3 MET 12 14.510 -5.846 0.982 111 H ARG 13 HN ARG 13 17.687 -5.522 3.013 112 HA ARG 13 HA ARG 13 19.945 -4.732 1.520 113 HB2 ARG 13 HB2 ARG 13 21.596 -6.328 2.169 114 HB3 ARG 13 HB1 ARG 13 21.145 -5.378 3.575 115 HG2 ARG 13 HG2 ARG 13 20.113 -8.131 2.900 116 HG3 ARG 13 HG1 ARG 13 21.337 -7.768 4.101 117 HD2 ARG 13 HD2 ARG 13 19.688 -6.470 5.394 118 HD3 ARG 13 HD1 ARG 13 18.471 -6.822 4.184 119 HE ARG 13 HE ARG 13 18.175 -8.827 5.126 120 HH11 ARG 13 HH11 ARG 13 18.731 -10.664 6.347 121 HH12 ARG 13 HH12 ARG 13 20.283 -10.746 7.113 122 HH21 ARG 13 HH21 ARG 13 21.312 -7.643 5.967 123 HH22 ARG 13 HH22 ARG 13 21.742 -9.040 6.896 124 H DAL 14 HN ALA 14 20.752 -6.483 0.078 125 HA DAL 14 HA ALA 14 20.248 -7.872 -1.679 126 HB1 DAL 14 HB1 ALA 14 17.374 -8.001 -0.799 127 HB2 DAL 14 HB2 ALA 14 18.042 -8.066 -2.428 128 HB3 DAL 14 HB3 ALA 14 18.017 -6.538 -1.547 129 H SER 15 HN SER 15 18.539 -10.018 -1.871 130 HA SER 15 HA SER 15 18.374 -11.668 0.379 131 HB2 SER 15 HB2 SER 15 18.543 -12.421 -2.535 132 HB3 SER 15 HB1 SER 15 18.066 -13.513 -1.238 133 HG SER 15 HG SER 15 16.793 -11.022 -1.562 134 H HIS 16 HN HIS 16 20.894 -11.354 -2.053 135 HA HIS 16 HA HIS 16 22.800 -12.611 -0.225 136 HB2 HIS 16 HB2 HIS 16 23.617 -14.182 -1.937 137 HB3 HIS 16 HB1 HIS 16 21.938 -14.509 -1.513 138 HD2 HIS 16 HD2 HIS 16 23.909 -14.166 -4.673 139 HE1 HIS 16 HE1 HIS 16 20.045 -12.813 -5.703 140 HE2 HIS 16 HE2 HIS 16 22.289 -13.555 -6.629 141 H DAL 17 HN ALA 17 22.128 -10.067 -1.954 142 HA DAL 17 HA ALA 17 24.376 -9.621 -3.637 143 HB1 DAL 17 HB1 ALA 17 25.776 -8.274 -2.255 144 HB2 DAL 17 HB2 ALA 17 25.490 -9.764 -1.357 145 HB3 DAL 17 HB3 ALA 17 24.607 -8.299 -0.936 146 H PHE 18 HN PHE 18 24.733 -6.873 -2.811 147 HA PHE 18 HA PHE 18 22.426 -5.753 -4.144 148 HB2 PHE 18 HB2 PHE 18 21.850 -4.248 -2.261 149 HB3 PHE 18 HB1 PHE 18 21.571 -5.947 -1.899 150 HD1 PHE 18 HD1 PHE 18 24.256 -3.303 -1.536 151 HD2 PHE 18 HD2 PHE 18 22.457 -6.864 0.055 152 HE1 PHE 18 HE1 PHE 18 25.765 -3.220 0.383 153 HE2 PHE 18 HE2 PHE 18 23.969 -6.753 1.999 154 HZ PHE 18 HZ PHE 18 25.628 -4.937 2.156 155 H TRP 19 HN TRP 19 22.663 -3.454 -4.596 156 HA TRP 19 HA TRP 19 25.517 -2.660 -4.776 157 HB2 TRP 19 HB2 TRP 19 23.150 -1.894 -6.497 158 HB3 TRP 19 HB1 TRP 19 24.783 -1.260 -6.686 159 HD1 TRP 19 HD1 TRP 19 23.231 -4.808 -6.384 160 HE1 TRP 19 HE1 TRP 19 24.375 -6.313 -8.139 161 HE3 TRP 19 HE3 TRP 19 26.460 -1.440 -8.458 162 HZ2 TRP 19 HZ2 TRP 19 26.393 -6.112 -10.156 163 HZ3 TRP 19 HZ3 TRP 19 27.974 -2.120 -10.290 164 HH2 TRP 19 HH2 TRP 19 27.948 -4.450 -11.143 165 H VAL 20 HN VAL 20 26.176 -0.672 -4.103 166 HA VAL 20 HA VAL 20 24.214 1.349 -3.321 167 HB VAL 20 HB VAL 20 24.379 -0.064 -1.308 168 HG11 VAL 20 HG11 VAL 20 26.751 -0.826 -1.912 169 HG12 VAL 20 HG12 VAL 20 26.454 -0.467 -0.214 170 HG13 VAL 20 HG13 VAL 20 27.304 0.699 -1.221 171 HG21 VAL 20 HG21 VAL 20 25.959 2.470 -0.833 172 HG22 VAL 20 HG22 VAL 20 24.768 1.711 0.223 173 HG23 VAL 20 HG23 VAL 20 24.248 2.513 -1.257 174 H GLN 21 HN GLN 21 25.022 3.343 -3.706 175 HA GLN 21 HA GLN 21 27.903 3.813 -3.610 176 HB2 GLN 21 HB2 GLN 21 27.988 4.706 -5.887 177 HB3 GLN 21 HB1 GLN 21 27.504 3.017 -5.904 178 HG2 GLN 21 HG2 GLN 21 25.611 5.362 -6.091 179 HG3 GLN 21 HG1 GLN 21 26.145 4.372 -7.445 180 HE21 GLN 21 HE21 GLN 21 23.700 4.705 -5.217 181 HE22 GLN 21 HE22 GLN 21 23.072 3.131 -5.263 182 H VAL 22 HN VAL 22 28.459 6.054 -3.543 183 HA VAL 22 HA VAL 22 26.309 7.688 -2.438 184 HB VAL 22 HB VAL 22 28.191 9.304 -1.928 185 HG11 VAL 22 HG11 VAL 22 29.488 7.681 -0.459 186 HG12 VAL 22 HG12 VAL 22 28.550 6.380 -1.194 187 HG13 VAL 22 HG13 VAL 22 27.737 7.632 -0.254 188 HG21 VAL 22 HG21 VAL 22 30.493 8.551 -2.424 189 HG22 VAL 22 HG22 VAL 22 29.566 8.806 -3.902 190 HG23 VAL 22 HG23 VAL 22 29.851 7.169 -3.312 191 HA DPR 23 HA PRO 23 26.735 11.134 -5.530 192 HB2 DPR 23 HB2 PRO 23 24.697 12.260 -5.378 193 HB3 DPR 23 HB1 PRO 23 23.763 10.754 -5.256 194 HG2 DPR 23 HG2 PRO 23 25.366 12.156 -3.155 195 HG3 DPR 23 HG1 PRO 23 23.761 11.411 -3.032 196 HD2 DPR 23 HD2 PRO 23 26.030 10.150 -2.170 197 HD3 DPR 23 HD1 PRO 23 24.625 9.263 -2.802 198 HAC 4G6 24 HAC 4G6 24 26.419 10.224 -10.357 199 HAB 4G6 24 HAB 4G6 24 25.209 8.923 -10.473 200 HAA 4G6 24 HAA 4G6 24 24.996 10.234 -9.289 201 HAF 4G6 24 HAF 4G6 24 25.950 7.135 -7.487 202 HAD 4G6 24 HAD 4G6 24 26.116 6.714 -9.210 203 HAE 4G6 24 HAE 4G6 24 24.690 7.620 -8.645 204 HAL 4G6 24 HAL 4G6 24 27.493 9.999 -7.297 205 HAH 4G6 24 HAH 4G6 24 28.177 9.247 -10.023 206 HAG 4G6 24 HAG 4G6 24 27.849 7.511 -9.828 207 HAI 4G6 24 HAI 4G6 24 28.795 9.010 -7.439 208 H LYS 25 HN LYS 25 32.331 6.125 -7.628 209 HA LYS 25 HA LYS 25 30.335 7.734 -6.227 210 HB2 LYS 25 HB2 LYS 25 32.627 8.653 -6.560 211 HB3 LYS 25 HB1 LYS 25 32.423 8.478 -8.283 212 HG2 LYS 25 HG2 LYS 25 32.020 10.803 -7.614 213 HG3 LYS 25 HG1 LYS 25 30.574 10.072 -8.287 214 HD2 LYS 25 HD2 LYS 25 30.052 11.451 -6.319 215 HD3 LYS 25 HD1 LYS 25 29.634 9.783 -6.023 216 HE2 LYS 25 HE2 LYS 25 32.167 11.150 -5.056 217 HE3 LYS 25 HE1 LYS 25 30.739 10.879 -4.072 218 HZ1 LYS 25 HZ1 LYS 25 32.832 9.037 -4.851 219 HZ2 LYS 25 HZ2 LYS 25 31.259 8.404 -4.917 220 HZ3 LYS 25 HZ3 LYS 25 31.852 9.056 -3.473 221 H GLU 26 HN GLU 26 30.460 2.557 -6.435 222 HA GLU 26 HA GLU 26 32.789 4.124 -5.558 223 HB2 GLU 26 HB2 GLU 26 31.695 3.664 -8.345 224 HB3 GLU 26 HB1 GLU 26 33.129 4.607 -7.951 225 HG2 GLU 26 HG2 GLU 26 33.779 2.357 -8.665 226 HG3 GLU 26 HG1 GLU 26 34.177 2.593 -6.966 227 H PHE 27 HN PHE 27 31.704 -0.144 -5.132 228 HA PHE 27 HA PHE 27 29.341 1.433 -4.764 229 HB2 PHE 27 HB2 PHE 27 29.739 1.992 -2.410 230 HB3 PHE 27 HB1 PHE 27 29.342 0.299 -2.629 231 HD1 PHE 27 HD1 PHE 27 30.350 0.744 -0.156 232 HD2 PHE 27 HD2 PHE 27 32.696 0.474 -3.753 233 HE1 PHE 27 HE1 PHE 27 32.324 0.094 1.162 234 HE2 PHE 27 HE2 PHE 27 34.650 -0.161 -2.423 235 HZ PHE 27 HZ PHE 27 34.461 -0.350 0.024 236 H LYS 28 HN LYS 28 29.622 -4.184 -5.701 237 HA LYS 28 HA LYS 28 31.640 -2.281 -5.562 238 HB2 LYS 28 HB2 LYS 28 29.270 -2.425 -7.423 239 HB3 LYS 28 HB1 LYS 28 30.690 -1.409 -7.669 240 HG2 LYS 28 HG2 LYS 28 32.129 -3.416 -7.677 241 HG3 LYS 28 HG1 LYS 28 30.708 -4.433 -7.440 242 HD2 LYS 28 HD2 LYS 28 29.764 -3.614 -9.567 243 HD3 LYS 28 HD1 LYS 28 31.186 -2.601 -9.809 244 HE2 LYS 28 HE2 LYS 28 32.619 -4.608 -9.824 245 HE3 LYS 28 HE1 LYS 28 31.198 -5.625 -9.577 246 HZ1 LYS 28 HZ1 LYS 28 32.017 -4.116 -11.954 247 HZ2 LYS 28 HZ2 LYS 28 30.357 -4.346 -11.672 248 HZ3 LYS 28 HZ3 LYS 28 31.388 -5.687 -11.837 249 H HIS 29 HN HIS 29 30.167 -5.875 -1.440 250 HA HIS 29 HA HIS 29 29.606 -5.816 -4.204 251 HB2 HIS 29 HB2 HIS 29 27.653 -4.444 -3.563 252 HB3 HIS 29 HB1 HIS 29 27.829 -5.866 -2.532 253 HD2 HIS 29 HD2 HIS 29 27.518 -5.120 0.101 254 HE1 HIS 29 HE1 HIS 29 29.108 -1.224 -0.169 255 HE2 HIS 29 HE2 HIS 29 28.122 -2.947 1.409 256 H1 ACE 30 HA2 ACE 30 32.422 -6.116 -0.575 257 H2 ACE 30 HA3 ACE 30 33.609 -6.738 -1.721 258 H3 ACE 30 HA1 ACE 30 32.210 -7.717 -1.283 Start of MODEL 2 1 HN1 NH2 0 H1 THR 1 27.027 -2.101 2.677 2 HN2 NH2 0 H2 THR 1 28.076 -2.209 1.347 3 H THR 1 HN THR 1 26.652 -3.594 4.108 4 HA THR 1 HA THR 1 28.823 -1.975 5.075 5 HB THR 1 HB THR 1 29.291 -4.090 6.224 6 HG1 THR 1 HG1 THR 1 31.154 -3.188 5.733 7 HG21 THR 1 HG21 THR 1 30.007 -6.052 4.763 8 HG22 THR 1 HG22 THR 1 29.188 -5.256 3.427 9 HG23 THR 1 HG23 THR 1 28.274 -5.765 4.846 10 H GLU 2 HN GLU 2 23.620 -1.892 5.636 11 HA GLU 2 HA GLU 2 24.812 -3.092 7.135 12 HB2 GLU 2 HB2 GLU 2 23.842 -5.007 5.964 13 HB3 GLU 2 HB1 GLU 2 25.149 -4.972 4.791 14 HG2 GLU 2 HG2 GLU 2 25.563 -6.710 6.452 15 HG3 GLU 2 HG1 GLU 2 26.771 -5.447 6.590 16 H ILE 3 HN ILE 3 24.857 -0.304 2.046 17 HA ILE 3 HA ILE 3 22.674 -1.334 3.752 18 HB ILE 3 HB ILE 3 22.350 -1.607 1.347 19 HG12 ILE 3 HG12 ILE 3 23.016 -4.236 2.721 20 HG13 ILE 3 HG11 ILE 3 21.508 -3.351 2.904 21 HG21 ILE 3 HG21 ILE 3 23.901 -2.532 -0.106 22 HG22 ILE 3 HG22 ILE 3 24.627 -3.549 1.139 23 HG23 ILE 3 HG23 ILE 3 25.006 -1.829 1.077 24 HD11 ILE 3 HD11 ILE 3 22.058 -3.734 0.084 25 HD12 ILE 3 HD12 ILE 3 20.692 -4.312 1.034 26 HD13 ILE 3 HD13 ILE 3 22.160 -5.272 0.928 27 H ARG 4 HN ARG 4 23.170 3.316 3.152 28 HA ARG 4 HA ARG 4 25.535 1.754 2.299 29 HB2 ARG 4 HB2 ARG 4 26.167 3.454 3.959 30 HB3 ARG 4 HB1 ARG 4 24.921 2.850 5.047 31 HG2 ARG 4 HG2 ARG 4 26.038 0.662 5.140 32 HG3 ARG 4 HG1 ARG 4 27.279 1.247 4.025 33 HD2 ARG 4 HD2 ARG 4 26.629 2.483 6.700 34 HD3 ARG 4 HD1 ARG 4 27.991 1.402 6.406 35 HE ARG 4 HE ARG 4 28.114 3.533 4.562 36 HH11 ARG 4 HH11 ARG 4 29.538 5.254 4.953 37 HH12 ARG 4 HH12 ARG 4 30.124 5.541 6.557 38 HH21 ARG 4 HH21 ARG 4 28.381 2.886 7.951 39 HH22 ARG 4 HH22 ARG 4 29.469 4.199 8.256 40 H VAL 5 HN VAL 5 24.676 5.904 0.146 41 HA VAL 5 HA VAL 5 22.547 5.036 1.962 42 HB VAL 5 HB VAL 5 22.773 3.987 -0.873 43 HG11 VAL 5 HG11 VAL 5 21.059 3.213 1.499 44 HG12 VAL 5 HG12 VAL 5 22.189 2.191 0.610 45 HG13 VAL 5 HG13 VAL 5 20.693 2.724 -0.156 46 HG21 VAL 5 HG21 VAL 5 21.632 6.086 -0.958 47 HG22 VAL 5 HG22 VAL 5 20.747 5.742 0.530 48 HG23 VAL 5 HG23 VAL 5 20.367 4.857 -0.946 49 H8 4FU 6 HAM 4FU 6 24.192 10.490 0.393 50 H9 4FU 6 HAI 4FU 6 21.680 9.158 -0.642 51 HAI 4FU 6 HAJ 4FU 6 21.819 10.904 -0.320 52 H112 4FU 6 HAE 4FU 6 23.234 11.270 -2.078 53 H111 4FU 6 HAF 4FU 6 22.382 9.854 -2.720 54 HAG 4FU 6 HAG 4FU 6 24.629 9.287 -3.079 55 H12 4FU 6 HAH 4FU 6 25.152 10.047 -1.553 56 HAL 4FU 6 HAL 4FU 6 25.084 7.509 -1.520 57 HAK 4FU 6 HAK 4FU 6 23.315 7.618 -1.685 58 H14 4FU 6 HAN 4FU 6 25.078 8.340 0.617 59 H GLY 7 HN GLY 7 24.636 10.019 2.680 60 HA2 GLY 7 HA2 GLY 7 23.818 10.695 4.798 61 HA3 GLY 7 HA1 GLY 7 22.186 10.260 4.311 62 H VAL 8 HN VAL 8 23.856 7.816 3.180 63 HA VAL 8 HA VAL 8 23.970 5.604 3.722 64 HB VAL 8 HB VAL 8 25.447 5.057 5.585 65 HG11 VAL 8 HG11 VAL 8 26.252 7.486 3.970 66 HG12 VAL 8 HG12 VAL 8 26.442 5.796 3.503 67 HG13 VAL 8 HG13 VAL 8 27.377 6.450 4.847 68 HG21 VAL 8 HG21 VAL 8 26.243 6.667 7.147 69 HG22 VAL 8 HG22 VAL 8 24.494 6.850 7.142 70 HG23 VAL 8 HG23 VAL 8 25.509 8.003 6.271 71 H THR 9 HN THR 9 23.333 3.853 5.123 72 HA THR 9 HA THR 9 21.430 4.435 7.248 73 HB THR 9 HB THR 9 20.670 3.003 4.692 74 HG1 THR 9 HG1 THR 9 20.406 5.078 4.264 75 HG21 THR 9 HG21 THR 9 19.321 3.326 7.360 76 HG22 THR 9 HG22 THR 9 19.510 1.872 6.380 77 HG23 THR 9 HG23 THR 9 18.372 3.123 5.890 78 H ILE 10 HN ILE 10 20.562 2.304 8.154 79 HA ILE 10 HA ILE 10 22.764 0.597 8.754 80 HB ILE 10 HB ILE 10 21.114 -0.718 10.034 81 HG12 ILE 10 HG12 ILE 10 19.111 1.227 8.846 82 HG13 ILE 10 HG11 ILE 10 19.221 -0.488 8.447 83 HG21 ILE 10 HG21 ILE 10 20.558 1.016 11.610 84 HG22 ILE 10 HG22 ILE 10 20.717 2.257 10.367 85 HG23 ILE 10 HG23 ILE 10 22.139 1.371 10.918 86 HD11 ILE 10 HD11 ILE 10 17.502 -0.302 10.102 87 HD12 ILE 10 HD12 ILE 10 18.498 0.744 11.113 88 HD13 ILE 10 HD13 ILE 10 18.912 -0.961 10.930 89 H ARG 11 HN ARG 11 21.555 -1.921 8.853 90 HA ARG 11 HA ARG 11 22.096 -2.794 6.208 91 HB2 ARG 11 HB2 ARG 11 21.666 -5.081 7.105 92 HB3 ARG 11 HB1 ARG 11 22.909 -4.169 7.933 93 HG2 ARG 11 HG2 ARG 11 21.561 -5.364 9.563 94 HG3 ARG 11 HG1 ARG 11 21.295 -3.639 9.745 95 HD2 ARG 11 HD2 ARG 11 19.151 -3.812 8.631 96 HD3 ARG 11 HD1 ARG 11 19.430 -5.503 8.243 97 HE ARG 11 HE ARG 11 19.636 -5.144 11.030 98 HH11 ARG 11 HH11 ARG 11 17.874 -5.697 12.349 99 HH12 ARG 11 HH12 ARG 11 16.285 -5.799 11.667 100 HH21 ARG 11 HH21 ARG 11 17.319 -4.960 8.464 101 HH22 ARG 11 HH22 ARG 11 15.971 -5.382 9.467 102 H MET 12 HN MET 12 20.799 -4.175 4.884 103 HA MET 12 HA MET 12 17.901 -4.058 5.207 104 HB2 MET 12 HB2 MET 12 19.252 -2.830 2.785 105 HB3 MET 12 HB1 MET 12 17.523 -3.091 2.972 106 HG2 MET 12 HG2 MET 12 17.510 -1.570 4.924 107 HG3 MET 12 HG1 MET 12 19.238 -1.291 4.709 108 HE1 MET 12 HE1 MET 12 18.848 1.644 4.139 109 HE2 MET 12 HE2 MET 12 17.615 0.820 5.090 110 HE3 MET 12 HE3 MET 12 17.137 1.860 3.750 111 H ARG 13 HN ARG 13 17.145 -6.009 4.652 112 HA ARG 13 HA ARG 13 17.283 -8.228 3.931 113 HB2 ARG 13 HB2 ARG 13 17.503 -6.636 1.369 114 HB3 ARG 13 HB1 ARG 13 17.012 -8.326 1.474 115 HG2 ARG 13 HG2 ARG 13 15.152 -7.718 2.915 116 HG3 ARG 13 HG1 ARG 13 15.613 -6.021 2.823 117 HD2 ARG 13 HD2 ARG 13 13.812 -6.500 1.215 118 HD3 ARG 13 HD1 ARG 13 15.296 -6.070 0.372 119 HE ARG 13 HE ARG 13 15.247 -8.172 -0.580 120 HH11 ARG 13 HH11 ARG 13 14.648 -10.351 -0.742 121 HH12 ARG 13 HH12 ARG 13 13.667 -11.071 0.492 122 HH21 ARG 13 HH21 ARG 13 13.444 -8.173 2.379 123 HH22 ARG 13 HH22 ARG 13 12.988 -9.839 2.256 124 H DAL 14 HN ALA 14 18.457 -9.121 1.515 125 HA DAL 14 HA ALA 14 20.390 -10.136 0.758 126 HB1 DAL 14 HB1 ALA 14 21.494 -9.687 3.526 127 HB2 DAL 14 HB2 ALA 14 21.899 -10.971 2.388 128 HB3 DAL 14 HB3 ALA 14 20.318 -10.954 3.171 129 H SER 15 HN SER 15 23.026 -9.554 1.941 130 HA SER 15 HA SER 15 23.690 -6.845 1.702 131 HB2 SER 15 HB2 SER 15 25.176 -8.462 2.774 132 HB3 SER 15 HB1 SER 15 25.416 -9.275 1.230 133 HG SER 15 HG SER 15 26.251 -6.713 2.065 134 H HIS 16 HN HIS 16 23.756 -9.462 -0.623 135 HA HIS 16 HA HIS 16 24.504 -7.651 -2.800 136 HB2 HIS 16 HB2 HIS 16 24.648 -9.706 -4.153 137 HB3 HIS 16 HB1 HIS 16 25.624 -9.826 -2.690 138 HD2 HIS 16 HD2 HIS 16 22.151 -10.367 -1.452 139 HE1 HIS 16 HE1 HIS 16 23.417 -14.210 -2.652 140 HE2 HIS 16 HE2 HIS 16 21.657 -12.927 -1.348 141 H DAL 17 HN ALA 17 21.784 -7.952 -1.308 142 HA DAL 17 HA ALA 17 19.570 -7.677 -1.847 143 HB1 DAL 17 HB1 ALA 17 19.963 -10.061 -2.603 144 HB2 DAL 17 HB2 ALA 17 20.140 -9.412 -4.232 145 HB3 DAL 17 HB3 ALA 17 18.615 -9.224 -3.369 146 H PHE 18 HN PHE 18 21.339 -5.748 -2.774 147 HA PHE 18 HA PHE 18 20.542 -5.037 -5.481 148 HB2 PHE 18 HB2 PHE 18 19.579 -2.877 -4.824 149 HB3 PHE 18 HB1 PHE 18 18.662 -4.233 -4.191 150 HD1 PHE 18 HD1 PHE 18 21.508 -1.965 -3.122 151 HD2 PHE 18 HD2 PHE 18 17.989 -4.139 -1.961 152 HE1 PHE 18 HE1 PHE 18 21.710 -1.072 -0.842 153 HE2 PHE 18 HE2 PHE 18 18.193 -3.227 0.322 154 HZ PHE 18 HZ PHE 18 20.050 -1.695 0.877 155 H TRP 19 HN TRP 19 21.346 -2.616 -5.852 156 HA TRP 19 HA TRP 19 24.233 -2.706 -5.316 157 HB2 TRP 19 HB2 TRP 19 22.550 -1.021 -7.181 158 HB3 TRP 19 HB1 TRP 19 24.299 -0.920 -7.051 159 HD1 TRP 19 HD1 TRP 19 21.813 -3.869 -7.507 160 HE1 TRP 19 HE1 TRP 19 22.746 -5.367 -9.392 161 HE3 TRP 19 HE3 TRP 19 26.014 -1.231 -8.708 162 HZ2 TRP 19 HZ2 TRP 19 24.979 -5.423 -11.186 163 HZ3 TRP 19 HZ3 TRP 19 27.516 -2.020 -10.512 164 HH2 TRP 19 HH2 TRP 19 27.005 -4.107 -11.754 165 H VAL 20 HN VAL 20 25.353 -1.119 -4.219 166 HA VAL 20 HA VAL 20 23.792 1.187 -3.177 167 HB VAL 20 HB VAL 20 24.078 -0.531 -1.398 168 HG11 VAL 20 HG11 VAL 20 26.076 -1.535 -0.920 169 HG12 VAL 20 HG12 VAL 20 26.995 -0.063 -1.153 170 HG13 VAL 20 HG13 VAL 20 26.531 -1.042 -2.543 171 HG21 VAL 20 HG21 VAL 20 25.918 1.781 -0.788 172 HG22 VAL 20 HG22 VAL 20 24.715 1.022 0.252 173 HG23 VAL 20 HG23 VAL 20 24.199 2.060 -1.075 174 H GLN 21 HN GLN 21 24.709 2.590 -4.680 175 HA GLN 21 HA GLN 21 27.661 2.831 -4.701 176 HB2 GLN 21 HB2 GLN 21 25.587 4.124 -6.506 177 HB3 GLN 21 HB1 GLN 21 27.322 4.318 -6.649 178 HG2 GLN 21 HG2 GLN 21 26.604 2.708 -8.287 179 HG3 GLN 21 HG1 GLN 21 27.505 1.854 -7.044 180 HE21 GLN 21 HE21 GLN 21 24.760 1.663 -8.916 181 HE22 GLN 21 HE22 GLN 21 23.833 0.629 -7.940 182 H VAL 22 HN VAL 22 28.675 4.794 -4.221 183 HA VAL 22 HA VAL 22 26.979 6.958 -3.132 184 HB VAL 22 HB VAL 22 28.404 7.029 -1.034 185 HG11 VAL 22 HG11 VAL 22 27.296 5.200 0.051 186 HG12 VAL 22 HG12 VAL 22 27.186 4.283 -1.452 187 HG13 VAL 22 HG13 VAL 22 26.205 5.730 -1.228 188 HG21 VAL 22 HG21 VAL 22 30.390 5.938 -1.941 189 HG22 VAL 22 HG22 VAL 22 29.479 4.454 -2.221 190 HG23 VAL 22 HG23 VAL 22 29.780 5.006 -0.574 191 HA DPR 23 HA PRO 23 30.756 9.664 -3.378 192 HB2 DPR 23 HB2 PRO 23 29.881 11.783 -3.823 193 HB3 DPR 23 HB1 PRO 23 28.646 11.146 -4.930 194 HG2 DPR 23 HG2 PRO 23 28.700 11.111 -1.940 195 HG3 DPR 23 HG1 PRO 23 27.356 11.490 -3.034 196 HD2 DPR 23 HD2 PRO 23 27.645 9.040 -1.837 197 HD3 DPR 23 HD1 PRO 23 26.860 9.254 -3.417 198 HAC 4G6 24 HAC 4G6 24 32.243 10.222 -7.729 199 HAB 4G6 24 HAB 4G6 24 33.636 9.764 -6.719 200 HAA 4G6 24 HAA 4G6 24 33.437 9.052 -8.339 201 HAF 4G6 24 HAF 4G6 24 30.215 7.324 -7.308 202 HAD 4G6 24 HAD 4G6 24 31.429 7.205 -8.605 203 HAE 4G6 24 HAE 4G6 24 30.588 8.747 -8.308 204 HAL 4G6 24 HAL 4G6 24 32.036 8.490 -4.727 205 HAH 4G6 24 HAH 4G6 24 33.682 7.259 -5.787 206 HAG 4G6 24 HAG 4G6 24 33.631 6.924 -7.532 207 HAI 4G6 24 HAI 4G6 24 31.277 5.908 -6.144 208 H LYS 25 HN LYS 25 32.479 2.114 -4.666 209 HA LYS 25 HA LYS 25 32.215 2.686 -6.838 210 HB2 LYS 25 HB2 LYS 25 29.823 2.951 -6.277 211 HB3 LYS 25 HB1 LYS 25 30.125 4.589 -5.775 212 HG2 LYS 25 HG2 LYS 25 29.175 4.570 -8.030 213 HG3 LYS 25 HG1 LYS 25 30.796 5.220 -8.043 214 HD2 LYS 25 HD2 LYS 25 30.437 3.752 -9.952 215 HD3 LYS 25 HD1 LYS 25 31.669 3.086 -8.914 216 HE2 LYS 25 HE2 LYS 25 28.770 2.215 -8.950 217 HE3 LYS 25 HE1 LYS 25 30.065 1.374 -9.777 218 HZ1 LYS 25 HZ1 LYS 25 29.344 1.369 -6.977 219 HZ2 LYS 25 HZ2 LYS 25 31.010 1.493 -7.274 220 HZ3 LYS 25 HZ3 LYS 25 30.132 0.190 -7.902 221 H GLU 26 HN GLU 26 31.731 1.195 -1.567 222 HA GLU 26 HA GLU 26 31.638 3.772 -1.641 223 HB2 GLU 26 HB2 GLU 26 33.940 2.366 -2.997 224 HB3 GLU 26 HB1 GLU 26 33.989 3.965 -2.264 225 HG2 GLU 26 HG2 GLU 26 33.429 1.375 -0.784 226 HG3 GLU 26 HG1 GLU 26 34.963 2.233 -0.781 227 H PHE 27 HN PHE 27 31.138 -1.169 -3.941 228 HA PHE 27 HA PHE 27 28.802 -0.021 -2.553 229 HB2 PHE 27 HB2 PHE 27 30.189 -1.586 -1.234 230 HB3 PHE 27 HB1 PHE 27 31.589 -0.573 -1.522 231 HD1 PHE 27 HD1 PHE 27 31.423 -0.984 1.093 232 HD2 PHE 27 HD2 PHE 27 28.814 1.671 -1.070 233 HE1 PHE 27 HE1 PHE 27 30.909 0.230 3.171 234 HE2 PHE 27 HE2 PHE 27 28.329 2.872 1.005 235 HZ PHE 27 HZ PHE 27 29.372 2.151 3.115 236 H LYS 28 HN LYS 28 30.632 -4.320 -5.135 237 HA LYS 28 HA LYS 28 30.780 -2.140 -5.879 238 HB2 LYS 28 HB2 LYS 28 27.871 -2.596 -6.589 239 HB3 LYS 28 HB1 LYS 28 28.915 -1.347 -7.256 240 HG2 LYS 28 HG2 LYS 28 29.331 -4.337 -7.582 241 HG3 LYS 28 HG1 LYS 28 28.667 -3.268 -8.806 242 HD2 LYS 28 HD2 LYS 28 30.811 -1.992 -8.819 243 HD3 LYS 28 HD1 LYS 28 31.473 -3.137 -7.657 244 HE2 LYS 28 HE2 LYS 28 31.102 -4.987 -9.225 245 HE3 LYS 28 HE1 LYS 28 30.451 -3.851 -10.408 246 HZ1 LYS 28 HZ1 LYS 28 32.945 -2.936 -9.445 247 HZ2 LYS 28 HZ2 LYS 28 32.489 -3.317 -11.036 248 HZ3 LYS 28 HZ3 LYS 28 33.104 -4.525 -10.014 249 H HIS 29 HN HIS 29 29.612 -5.924 -2.086 250 HA HIS 29 HA HIS 29 29.130 -6.425 -4.868 251 HB2 HIS 29 HB2 HIS 29 26.757 -6.224 -4.252 252 HB3 HIS 29 HB1 HIS 29 27.616 -7.249 -3.102 253 HD2 HIS 29 HD2 HIS 29 25.159 -4.452 -2.861 254 HE1 HIS 29 HE1 HIS 29 27.589 -3.926 0.527 255 HE2 HIS 29 HE2 HIS 29 25.426 -3.258 -0.579 256 H1 ACE 30 HA2 ACE 30 31.864 -5.050 -1.420 257 H2 ACE 30 HA3 ACE 30 33.142 -5.577 -2.517 258 H3 ACE 30 HA1 ACE 30 32.115 -6.769 -1.722 Start of MODEL 3 1 HN1 NH2 0 H1 THR 1 24.721 -7.536 3.087 2 HN2 NH2 0 H2 THR 1 23.557 -8.142 4.164 3 H THR 1 HN THR 1 27.220 -4.987 5.782 4 HA THR 1 HA THR 1 26.722 -6.716 3.692 5 HB THR 1 HB THR 1 27.444 -7.445 6.540 6 HG1 THR 1 HG1 THR 1 29.322 -6.697 6.033 7 HG21 THR 1 HG21 THR 1 26.781 -9.441 5.405 8 HG22 THR 1 HG22 THR 1 28.543 -9.404 5.336 9 HG23 THR 1 HG23 THR 1 27.596 -8.947 3.921 10 H GLU 2 HN GLU 2 24.239 -1.531 4.995 11 HA GLU 2 HA GLU 2 26.663 -2.760 5.385 12 HB2 GLU 2 HB2 GLU 2 25.270 -2.015 7.228 13 HB3 GLU 2 HB1 GLU 2 24.059 -3.226 6.838 14 HG2 GLU 2 HG2 GLU 2 25.427 -3.932 8.753 15 HG3 GLU 2 HG1 GLU 2 25.657 -5.019 7.396 16 H ILE 3 HN ILE 3 25.664 -0.020 1.355 17 HA ILE 3 HA ILE 3 23.432 -0.708 3.170 18 HB ILE 3 HB ILE 3 24.338 -1.939 0.562 19 HG12 ILE 3 HG12 ILE 3 21.831 -0.425 1.355 20 HG13 ILE 3 HG11 ILE 3 23.154 0.230 0.398 21 HG21 ILE 3 HG21 ILE 3 22.214 -3.318 0.855 22 HG22 ILE 3 HG22 ILE 3 22.202 -2.774 2.535 23 HG23 ILE 3 HG23 ILE 3 23.552 -3.735 1.926 24 HD11 ILE 3 HD11 ILE 3 21.167 -1.907 -0.354 25 HD12 ILE 3 HD12 ILE 3 22.710 -1.770 -1.191 26 HD13 ILE 3 HD13 ILE 3 21.573 -0.427 -1.221 27 H ARG 4 HN ARG 4 24.388 3.826 2.478 28 HA ARG 4 HA ARG 4 26.221 2.032 1.147 29 HB2 ARG 4 HB2 ARG 4 27.611 1.567 3.113 30 HB3 ARG 4 HB1 ARG 4 27.778 3.242 2.594 31 HG2 ARG 4 HG2 ARG 4 26.173 3.944 4.333 32 HG3 ARG 4 HG1 ARG 4 26.020 2.267 4.861 33 HD2 ARG 4 HD2 ARG 4 28.431 2.198 5.361 34 HD3 ARG 4 HD1 ARG 4 28.589 3.872 4.837 35 HE ARG 4 HE ARG 4 26.613 3.751 6.837 36 HH11 ARG 4 HH11 ARG 4 27.159 4.365 8.957 37 HH12 ARG 4 HH12 ARG 4 28.818 4.363 9.451 38 HH21 ARG 4 HH21 ARG 4 30.011 3.285 6.381 39 HH22 ARG 4 HH22 ARG 4 30.432 3.752 7.994 40 H VAL 5 HN VAL 5 26.666 6.952 0.527 41 HA VAL 5 HA VAL 5 24.218 5.948 1.865 42 HB VAL 5 HB VAL 5 24.755 5.755 -1.120 43 HG11 VAL 5 HG11 VAL 5 23.669 3.757 -0.296 44 HG12 VAL 5 HG12 VAL 5 22.454 4.734 -1.113 45 HG13 VAL 5 HG13 VAL 5 22.527 4.709 0.648 46 HG21 VAL 5 HG21 VAL 5 23.072 7.337 -1.489 47 HG22 VAL 5 HG22 VAL 5 23.830 8.001 -0.053 48 HG23 VAL 5 HG23 VAL 5 22.336 7.090 0.089 49 H8 4FU 6 HAM 4FU 6 26.672 11.364 1.853 50 H9 4FU 6 HAI 4FU 6 24.186 9.993 0.776 51 HAI 4FU 6 HAJ 4FU 6 24.433 11.751 0.892 52 H112 4FU 6 HAE 4FU 6 26.385 11.596 -0.598 53 H111 4FU 6 HAF 4FU 6 24.930 10.935 -1.378 54 HAG 4FU 6 HAG 4FU 6 25.644 8.646 -0.811 55 H12 4FU 6 HAH 4FU 6 26.911 9.493 -1.724 56 HAL 4FU 6 HAL 4FU 6 28.097 10.017 0.351 57 HAK 4FU 6 HAK 4FU 6 27.846 8.262 0.221 58 H14 4FU 6 HAN 4FU 6 27.336 9.066 2.495 59 H GLY 7 HN GLY 7 26.582 9.481 4.091 60 HA2 GLY 7 HA2 GLY 7 25.872 9.639 6.279 61 HA3 GLY 7 HA1 GLY 7 24.853 10.990 5.817 62 H VAL 8 HN VAL 8 23.979 8.753 3.716 63 HA VAL 8 HA VAL 8 21.603 7.986 5.211 64 HB VAL 8 HB VAL 8 22.435 7.342 2.376 65 HG11 VAL 8 HG11 VAL 8 20.805 5.753 3.157 66 HG12 VAL 8 HG12 VAL 8 19.986 6.898 2.095 67 HG13 VAL 8 HG13 VAL 8 19.814 7.041 3.846 68 HG21 VAL 8 HG21 VAL 8 22.076 9.816 3.046 69 HG22 VAL 8 HG22 VAL 8 20.375 9.377 3.217 70 HG23 VAL 8 HG23 VAL 8 21.179 9.206 1.655 71 H THR 9 HN THR 9 21.427 6.092 6.288 72 HA THR 9 HA THR 9 23.162 3.830 5.468 73 HB THR 9 HB THR 9 23.438 3.243 7.834 74 HG1 THR 9 HG1 THR 9 21.915 4.154 8.987 75 HG21 THR 9 HG21 THR 9 25.108 4.909 8.304 76 HG22 THR 9 HG22 THR 9 24.314 6.070 7.238 77 HG23 THR 9 HG23 THR 9 25.071 4.625 6.564 78 H ILE 10 HN ILE 10 22.522 1.786 6.193 79 HA ILE 10 HA ILE 10 19.822 1.324 7.114 80 HB ILE 10 HB ILE 10 19.440 1.800 4.699 81 HG12 ILE 10 HG12 ILE 10 19.134 -1.133 5.422 82 HG13 ILE 10 HG11 ILE 10 18.021 0.142 5.919 83 HG21 ILE 10 HG21 ILE 10 20.421 0.395 3.019 84 HG22 ILE 10 HG22 ILE 10 21.095 -0.688 4.239 85 HG23 ILE 10 HG23 ILE 10 21.744 0.941 4.051 86 HD11 ILE 10 HD11 ILE 10 17.748 0.688 3.445 87 HD12 ILE 10 HD12 ILE 10 17.068 -0.857 3.959 88 HD13 ILE 10 HD13 ILE 10 18.614 -0.811 3.109 89 H ARG 11 HN ARG 11 19.474 -0.906 7.597 90 HA ARG 11 HA ARG 11 21.759 -2.683 7.382 91 HB2 ARG 11 HB2 ARG 11 21.492 -3.283 9.790 92 HB3 ARG 11 HB1 ARG 11 22.104 -1.670 9.481 93 HG2 ARG 11 HG2 ARG 11 20.465 -1.603 11.290 94 HG3 ARG 11 HG1 ARG 11 19.856 -0.731 9.895 95 HD2 ARG 11 HD2 ARG 11 18.388 -2.591 9.326 96 HD3 ARG 11 HD1 ARG 11 19.078 -3.577 10.615 97 HE ARG 11 HE ARG 11 18.097 -1.174 11.711 98 HH11 ARG 11 HH11 ARG 11 16.069 -1.167 12.729 99 HH12 ARG 11 HH12 ARG 11 14.931 -2.427 12.390 100 HH21 ARG 11 HH21 ARG 11 17.014 -4.074 10.164 101 HH22 ARG 11 HH22 ARG 11 15.466 -4.072 10.939 102 H MET 12 HN MET 12 19.440 -2.861 5.864 103 HA MET 12 HA MET 12 17.795 -4.969 7.053 104 HB2 MET 12 HB2 MET 12 17.700 -3.700 4.303 105 HB3 MET 12 HB1 MET 12 16.521 -4.842 4.945 106 HG2 MET 12 HG2 MET 12 17.160 -2.127 6.141 107 HG3 MET 12 HG1 MET 12 15.736 -2.505 5.177 108 HE1 MET 12 HE1 MET 12 14.164 -2.074 8.633 109 HE2 MET 12 HE2 MET 12 14.383 -1.468 6.994 110 HE3 MET 12 HE3 MET 12 15.660 -1.244 8.186 111 H ARG 13 HN ARG 13 17.709 -7.072 6.368 112 HA ARG 13 HA ARG 13 20.128 -8.107 5.104 113 HB2 ARG 13 HB2 ARG 13 19.155 -9.079 7.183 114 HB3 ARG 13 HB1 ARG 13 17.708 -9.501 6.293 115 HG2 ARG 13 HG2 ARG 13 20.474 -10.579 5.687 116 HG3 ARG 13 HG1 ARG 13 19.281 -11.419 6.661 117 HD2 ARG 13 HD2 ARG 13 17.765 -11.422 4.636 118 HD3 ARG 13 HD1 ARG 13 19.096 -10.751 3.720 119 HE ARG 13 HE ARG 13 19.986 -12.847 3.583 120 HH11 ARG 13 HH11 ARG 13 20.344 -14.985 4.249 121 HH12 ARG 13 HH12 ARG 13 19.546 -15.596 5.659 122 HH21 ARG 13 HH21 ARG 13 17.867 -12.639 6.320 123 HH22 ARG 13 HH22 ARG 13 18.146 -14.272 6.828 124 H DAL 14 HN ALA 14 20.262 -8.487 3.022 125 HA DAL 14 HA ALA 14 19.547 -8.207 0.783 126 HB1 DAL 14 HB1 ALA 14 16.757 -9.060 1.515 127 HB2 DAL 14 HB2 ALA 14 17.301 -8.139 0.118 128 HB3 DAL 14 HB3 ALA 14 17.281 -7.385 1.709 129 H SER 15 HN SER 15 17.605 -9.961 -0.382 130 HA SER 15 HA SER 15 17.973 -12.652 0.312 131 HB2 SER 15 HB2 SER 15 17.088 -13.138 -1.928 132 HB3 SER 15 HB1 SER 15 16.143 -11.897 -1.111 133 HG SER 15 HG SER 15 16.558 -11.120 -3.126 134 H HIS 16 HN HIS 16 19.725 -10.601 -1.934 135 HA HIS 16 HA HIS 16 22.003 -12.420 -1.849 136 HB2 HIS 16 HB2 HIS 16 22.144 -12.658 -4.293 137 HB3 HIS 16 HB1 HIS 16 20.664 -13.379 -3.662 138 HD2 HIS 16 HD2 HIS 16 21.568 -11.111 -6.490 139 HE1 HIS 16 HE1 HIS 16 17.663 -9.922 -5.412 140 HE2 HIS 16 HE2 HIS 16 19.461 -9.740 -7.196 141 H DAL 17 HN ALA 17 21.713 -9.803 -0.897 142 HA DAL 17 HA ALA 17 24.014 -8.559 -1.852 143 HB1 DAL 17 HB1 ALA 17 21.654 -7.624 -0.249 144 HB2 DAL 17 HB2 ALA 17 22.902 -6.474 -0.723 145 HB3 DAL 17 HB3 ALA 17 23.319 -7.869 0.267 146 H PHE 18 HN PHE 18 23.395 -5.910 -2.329 147 HA PHE 18 HA PHE 18 22.465 -6.027 -5.121 148 HB2 PHE 18 HB2 PHE 18 21.488 -3.933 -3.153 149 HB3 PHE 18 HB1 PHE 18 21.142 -3.978 -4.880 150 HD1 PHE 18 HD1 PHE 18 20.861 -6.121 -1.819 151 HD2 PHE 18 HD2 PHE 18 19.165 -5.016 -5.600 152 HE1 PHE 18 HE1 PHE 18 18.960 -7.642 -1.413 153 HE2 PHE 18 HE2 PHE 18 17.243 -6.514 -5.178 154 HZ PHE 18 HZ PHE 18 17.147 -7.826 -3.084 155 H TRP 19 HN TRP 19 22.751 -3.595 -5.976 156 HA TRP 19 HA TRP 19 25.560 -2.907 -5.409 157 HB2 TRP 19 HB2 TRP 19 23.721 -2.131 -7.675 158 HB3 TRP 19 HB1 TRP 19 25.347 -1.490 -7.464 159 HD1 TRP 19 HD1 TRP 19 23.793 -5.057 -7.483 160 HE1 TRP 19 HE1 TRP 19 25.373 -6.554 -8.880 161 HE3 TRP 19 HE3 TRP 19 27.368 -1.624 -8.718 162 HZ2 TRP 19 HZ2 TRP 19 27.838 -6.315 -10.330 163 HZ3 TRP 19 HZ3 TRP 19 29.314 -2.284 -10.102 164 HH2 TRP 19 HH2 TRP 19 29.555 -4.620 -10.909 165 H VAL 20 HN VAL 20 26.159 -1.063 -4.522 166 HA VAL 20 HA VAL 20 24.205 1.129 -4.231 167 HB VAL 20 HB VAL 20 24.150 -0.176 -2.127 168 HG11 VAL 20 HG11 VAL 20 27.062 0.548 -1.800 169 HG12 VAL 20 HG12 VAL 20 26.553 -1.008 -2.455 170 HG13 VAL 20 HG13 VAL 20 26.097 -0.551 -0.814 171 HG21 VAL 20 HG21 VAL 20 25.647 2.452 -1.877 172 HG22 VAL 20 HG22 VAL 20 24.679 1.687 -0.619 173 HG23 VAL 20 HG23 VAL 20 23.903 2.289 -2.085 174 H GLN 21 HN GLN 21 25.115 2.997 -4.786 175 HA GLN 21 HA GLN 21 28.063 3.267 -4.648 176 HB2 GLN 21 HB2 GLN 21 26.303 3.961 -7.025 177 HB3 GLN 21 HB1 GLN 21 28.022 4.324 -6.891 178 HG2 GLN 21 HG2 GLN 21 28.514 1.913 -6.707 179 HG3 GLN 21 HG1 GLN 21 26.797 1.550 -6.839 180 HE21 GLN 21 HE21 GLN 21 29.561 1.631 -8.672 181 HE22 GLN 21 HE22 GLN 21 28.875 1.932 -10.196 182 H VAL 22 HN VAL 22 28.753 5.271 -3.971 183 HA VAL 22 HA VAL 22 26.656 7.077 -3.031 184 HB VAL 22 HB VAL 22 28.548 8.187 -1.794 185 HG11 VAL 22 HG11 VAL 22 28.650 5.171 -1.503 186 HG12 VAL 22 HG12 VAL 22 27.275 6.135 -0.965 187 HG13 VAL 22 HG13 VAL 22 28.864 6.390 -0.245 188 HG21 VAL 22 HG21 VAL 22 30.733 6.811 -1.858 189 HG22 VAL 22 HG22 VAL 22 30.412 7.889 -3.207 190 HG23 VAL 22 HG23 VAL 22 30.137 6.163 -3.386 191 HA DPR 23 HA PRO 23 28.002 10.577 -5.548 192 HB2 DPR 23 HB2 PRO 23 26.017 11.669 -5.138 193 HB3 DPR 23 HB1 PRO 23 25.615 11.150 -6.788 194 HG2 DPR 23 HG2 PRO 23 24.087 10.472 -4.718 195 HG3 DPR 23 HG1 PRO 23 24.372 9.355 -6.063 196 HD2 DPR 23 HD2 PRO 23 25.500 9.287 -3.290 197 HD3 DPR 23 HD1 PRO 23 25.102 7.946 -4.391 198 HAC 4G6 24 HAC 4G6 24 29.052 9.336 -10.994 199 HAB 4G6 24 HAB 4G6 24 27.568 9.793 -10.126 200 HAA 4G6 24 HAA 4G6 24 29.080 10.684 -9.834 201 HAF 4G6 24 HAF 4G6 24 27.310 7.625 -9.652 202 HAD 4G6 24 HAD 4G6 24 28.072 6.931 -8.199 203 HAE 4G6 24 HAE 4G6 24 28.858 6.761 -9.787 204 HAL 4G6 24 HAL 4G6 24 29.372 9.663 -7.033 205 HAH 4G6 24 HAH 4G6 24 31.026 9.334 -9.371 206 HAG 4G6 24 HAG 4G6 24 30.688 7.613 -9.655 207 HAI 4G6 24 HAI 4G6 24 30.727 8.635 -6.849 208 H LYS 25 HN LYS 25 33.870 5.335 -6.314 209 HA LYS 25 HA LYS 25 31.677 7.042 -5.404 210 HB2 LYS 25 HB2 LYS 25 34.049 7.635 -4.849 211 HB3 LYS 25 HB1 LYS 25 34.394 7.716 -6.556 212 HG2 LYS 25 HG2 LYS 25 34.035 9.972 -5.668 213 HG3 LYS 25 HG1 LYS 25 32.806 9.554 -6.848 214 HD2 LYS 25 HD2 LYS 25 31.836 10.728 -4.919 215 HD3 LYS 25 HD1 LYS 25 31.183 9.116 -5.042 216 HE2 LYS 25 HE2 LYS 25 33.395 9.976 -3.152 217 HE3 LYS 25 HE1 LYS 25 31.713 9.754 -2.702 218 HZ1 LYS 25 HZ1 LYS 25 32.364 7.717 -2.158 219 HZ2 LYS 25 HZ2 LYS 25 33.798 7.803 -3.061 220 HZ3 LYS 25 HZ3 LYS 25 32.338 7.384 -3.817 221 H GLU 26 HN GLU 26 32.898 2.002 -3.744 222 HA GLU 26 HA GLU 26 33.912 3.292 -5.341 223 HB2 GLU 26 HB2 GLU 26 31.619 2.313 -7.060 224 HB3 GLU 26 HB1 GLU 26 33.079 3.098 -7.654 225 HG2 GLU 26 HG2 GLU 26 33.283 0.663 -7.867 226 HG3 GLU 26 HG1 GLU 26 34.443 1.268 -6.688 227 H PHE 27 HN PHE 27 31.849 -0.476 -3.398 228 HA PHE 27 HA PHE 27 29.505 1.311 -3.077 229 HB2 PHE 27 HB2 PHE 27 32.325 1.557 -2.018 230 HB3 PHE 27 HB1 PHE 27 31.094 2.795 -1.857 231 HD1 PHE 27 HD1 PHE 27 32.204 2.175 0.545 232 HD2 PHE 27 HD2 PHE 27 29.245 -0.188 -1.494 233 HE1 PHE 27 HE1 PHE 27 31.449 1.240 2.695 234 HE2 PHE 27 HE2 PHE 27 28.494 -1.091 0.658 235 HZ PHE 27 HZ PHE 27 29.606 -0.388 2.738 236 H LYS 28 HN LYS 28 31.202 -3.899 -2.625 237 HA LYS 28 HA LYS 28 31.588 -2.413 -4.339 238 HB2 LYS 28 HB2 LYS 28 28.754 -3.152 -5.089 239 HB3 LYS 28 HB1 LYS 28 29.942 -2.417 -6.153 240 HG2 LYS 28 HG2 LYS 28 30.202 -5.156 -4.869 241 HG3 LYS 28 HG1 LYS 28 29.731 -4.861 -6.537 242 HD2 LYS 28 HD2 LYS 28 31.942 -3.778 -6.942 243 HD3 LYS 28 HD1 LYS 28 32.414 -4.168 -5.291 244 HE2 LYS 28 HE2 LYS 28 32.083 -6.559 -5.731 245 HE3 LYS 28 HE1 LYS 28 31.620 -6.188 -7.392 246 HZ1 LYS 28 HZ1 LYS 28 34.151 -5.093 -6.456 247 HZ2 LYS 28 HZ2 LYS 28 33.730 -5.713 -7.980 248 HZ3 LYS 28 HZ3 LYS 28 34.096 -6.771 -6.701 249 H HIS 29 HN HIS 29 30.951 -5.820 -0.660 250 HA HIS 29 HA HIS 29 28.885 -5.636 -1.622 251 HB2 HIS 29 HB2 HIS 29 28.546 -4.968 0.744 252 HB3 HIS 29 HB1 HIS 29 28.787 -3.295 0.282 253 HD2 HIS 29 HD2 HIS 29 25.923 -5.625 0.795 254 HE1 HIS 29 HE1 HIS 29 24.505 -2.885 -2.079 255 HE2 HIS 29 HE2 HIS 29 23.817 -4.714 -0.455 256 H1 ACE 30 HA2 ACE 30 32.833 -5.192 0.417 257 H2 ACE 30 HA3 ACE 30 33.213 -3.477 0.580 258 H3 ACE 30 HA1 ACE 30 33.521 -4.307 -0.945 Start of MODEL 4 1 HN1 NH2 0 H1 THR 1 26.744 -0.861 9.289 2 HN2 NH2 0 H2 THR 1 28.422 -0.756 9.057 3 H THR 1 HN THR 1 24.632 -3.177 10.521 4 HA THR 1 HA THR 1 26.241 -2.003 11.816 5 HB THR 1 HB THR 1 26.233 -4.335 12.458 6 HG1 THR 1 HG1 THR 1 28.455 -2.761 12.492 7 HG21 THR 1 HG21 THR 1 28.326 -5.639 11.364 8 HG22 THR 1 HG22 THR 1 27.882 -4.642 9.982 9 HG23 THR 1 HG23 THR 1 26.700 -5.740 10.693 10 H GLU 2 HN GLU 2 24.357 -3.928 5.957 11 HA GLU 2 HA GLU 2 23.661 -2.990 8.360 12 HB2 GLU 2 HB2 GLU 2 23.968 -5.233 9.279 13 HB3 GLU 2 HB1 GLU 2 23.319 -5.331 7.646 14 HG2 GLU 2 HG2 GLU 2 26.239 -5.696 8.410 15 HG3 GLU 2 HG1 GLU 2 25.122 -6.981 7.979 16 H ILE 3 HN ILE 3 23.869 -0.981 4.452 17 HA ILE 3 HA ILE 3 25.651 -3.214 4.254 18 HB ILE 3 HB ILE 3 27.702 -1.941 4.898 19 HG12 ILE 3 HG12 ILE 3 26.107 0.454 3.960 20 HG13 ILE 3 HG11 ILE 3 26.646 0.174 5.609 21 HG21 ILE 3 HG21 ILE 3 26.762 -1.050 2.183 22 HG22 ILE 3 HG22 ILE 3 27.148 -2.744 2.524 23 HG23 ILE 3 HG23 ILE 3 28.385 -1.501 2.693 24 HD11 ILE 3 HD11 ILE 3 29.014 0.047 4.687 25 HD12 ILE 3 HD12 ILE 3 28.258 1.640 4.641 26 HD13 ILE 3 HD13 ILE 3 28.356 0.667 3.172 27 H ARG 4 HN ARG 4 24.347 0.616 1.522 28 HA ARG 4 HA ARG 4 22.235 -1.008 2.727 29 HB2 ARG 4 HB2 ARG 4 23.465 -1.686 0.031 30 HB3 ARG 4 HB1 ARG 4 22.387 -2.729 0.952 31 HG2 ARG 4 HG2 ARG 4 20.583 -1.061 0.758 32 HG3 ARG 4 HG1 ARG 4 21.660 0.012 -0.130 33 HD2 ARG 4 HD2 ARG 4 20.243 -1.194 -1.693 34 HD3 ARG 4 HD1 ARG 4 21.921 -1.682 -1.887 35 HE ARG 4 HE ARG 4 20.658 -3.459 -0.092 36 HH11 ARG 4 HH11 ARG 4 19.958 -5.483 -0.892 37 HH12 ARG 4 HH12 ARG 4 19.747 -5.708 -2.594 38 HH21 ARG 4 HH21 ARG 4 20.668 -2.469 -3.405 39 HH22 ARG 4 HH22 ARG 4 20.146 -4.004 -4.016 40 H VAL 5 HN VAL 5 21.565 2.981 -0.002 41 HA VAL 5 HA VAL 5 24.056 2.716 1.144 42 HB VAL 5 HB VAL 5 23.521 4.504 2.632 43 HG11 VAL 5 HG11 VAL 5 21.593 4.539 4.035 44 HG12 VAL 5 HG12 VAL 5 21.224 2.856 3.680 45 HG13 VAL 5 HG13 VAL 5 21.005 4.090 2.435 46 HG21 VAL 5 HG21 VAL 5 24.604 3.436 4.320 47 HG22 VAL 5 HG22 VAL 5 24.408 1.951 3.407 48 HG23 VAL 5 HG23 VAL 5 23.220 2.387 4.631 49 H8 4FU 6 HAM 4FU 6 19.642 5.716 -1.534 50 H9 4FU 6 HAI 4FU 6 20.248 3.120 -0.072 51 HAI 4FU 6 HAJ 4FU 6 18.720 3.596 -0.828 52 H112 4FU 6 HAE 4FU 6 19.741 3.660 -3.032 53 H111 4FU 6 HAF 4FU 6 20.023 2.074 -2.278 54 HAG 4FU 6 HAG 4FU 6 22.292 2.798 -1.603 55 H12 4FU 6 HAH 4FU 6 22.065 2.935 -3.361 56 HAL 4FU 6 HAL 4FU 6 21.542 5.333 -3.109 57 HAK 4FU 6 HAK 4FU 6 23.156 4.962 -2.462 58 H14 4FU 6 HAN 4FU 6 21.882 6.439 -0.952 59 H GLY 7 HN GLY 7 21.530 6.457 0.984 60 HA2 GLY 7 HA2 GLY 7 19.736 7.802 2.480 61 HA3 GLY 7 HA1 GLY 7 19.577 6.185 3.133 62 H VAL 8 HN VAL 8 22.642 5.988 2.438 63 HA VAL 8 HA VAL 8 24.575 6.148 3.725 64 HB VAL 8 HB VAL 8 23.408 8.845 4.442 65 HG11 VAL 8 HG11 VAL 8 26.000 9.271 4.643 66 HG12 VAL 8 HG12 VAL 8 26.084 7.523 4.867 67 HG13 VAL 8 HG13 VAL 8 25.147 8.512 5.983 68 HG21 VAL 8 HG21 VAL 8 23.621 8.716 2.065 69 HG22 VAL 8 HG22 VAL 8 25.149 7.844 2.178 70 HG23 VAL 8 HG23 VAL 8 25.072 9.550 2.623 71 H THR 9 HN THR 9 23.341 4.445 4.910 72 HA THR 9 HA THR 9 23.256 5.089 7.774 73 HB THR 9 HB THR 9 21.164 3.825 8.063 74 HG1 THR 9 HG1 THR 9 20.267 2.833 6.442 75 HG21 THR 9 HG21 THR 9 21.211 6.308 7.690 76 HG22 THR 9 HG22 THR 9 19.688 5.525 7.273 77 HG23 THR 9 HG23 THR 9 20.815 5.996 6.001 78 H ILE 10 HN ILE 10 22.279 2.644 8.611 79 HA ILE 10 HA ILE 10 24.567 0.864 8.025 80 HB ILE 10 HB ILE 10 22.597 0.857 10.326 81 HG12 ILE 10 HG12 ILE 10 24.567 1.574 11.674 82 HG13 ILE 10 HG11 ILE 10 25.511 1.709 10.194 83 HG21 ILE 10 HG21 ILE 10 24.984 -0.838 9.637 84 HG22 ILE 10 HG22 ILE 10 23.336 -1.361 9.987 85 HG23 ILE 10 HG23 ILE 10 24.353 -0.727 11.280 86 HD11 ILE 10 HD11 ILE 10 24.262 3.815 11.273 87 HD12 ILE 10 HD12 ILE 10 22.920 3.206 10.309 88 HD13 ILE 10 HD13 ILE 10 24.444 3.643 9.531 89 H ARG 11 HN ARG 11 21.074 0.820 8.522 90 HA ARG 11 HA ARG 11 20.363 -1.762 8.110 91 HB2 ARG 11 HB2 ARG 11 18.970 0.619 6.865 92 HB3 ARG 11 HB1 ARG 11 18.243 -0.947 7.195 93 HG2 ARG 11 HG2 ARG 11 19.328 0.964 9.290 94 HG3 ARG 11 HG1 ARG 11 17.627 0.729 8.913 95 HD2 ARG 11 HD2 ARG 11 19.505 -1.367 10.061 96 HD3 ARG 11 HD1 ARG 11 18.225 -0.530 10.912 97 HE ARG 11 HE ARG 11 17.070 -1.763 8.679 98 HH11 ARG 11 HH11 ARG 11 15.980 -3.738 8.944 99 HH12 ARG 11 HH12 ARG 11 16.325 -4.734 10.318 100 HH21 ARG 11 HH21 ARG 11 18.684 -2.558 11.634 101 HH22 ARG 11 HH22 ARG 11 17.856 -4.066 11.842 102 H MET 12 HN MET 12 19.483 -2.882 6.242 103 HA MET 12 HA MET 12 20.365 -2.083 3.619 104 HB2 MET 12 HB2 MET 12 21.872 -4.030 3.328 105 HB3 MET 12 HB1 MET 12 22.468 -2.850 4.486 106 HG2 MET 12 HG2 MET 12 22.779 -5.100 5.385 107 HG3 MET 12 HG1 MET 12 21.589 -4.244 6.345 108 HE1 MET 12 HE1 MET 12 20.386 -7.907 6.552 109 HE2 MET 12 HE2 MET 12 20.872 -6.457 7.426 110 HE3 MET 12 HE3 MET 12 22.058 -7.333 6.462 111 H ARG 13 HN ARG 13 20.179 -4.075 2.081 112 HA ARG 13 HA ARG 13 18.102 -5.960 2.791 113 HB2 ARG 13 HB2 ARG 13 16.545 -5.242 1.039 114 HB3 ARG 13 HB1 ARG 13 16.770 -3.977 2.246 115 HG2 ARG 13 HG2 ARG 13 18.421 -2.876 0.787 116 HG3 ARG 13 HG1 ARG 13 18.183 -4.132 -0.425 117 HD2 ARG 13 HD2 ARG 13 16.044 -2.252 0.611 118 HD3 ARG 13 HD1 ARG 13 16.830 -2.143 -0.961 119 HE ARG 13 HE ARG 13 14.665 -3.863 -0.285 120 HH11 ARG 13 HH11 ARG 13 14.055 -5.470 -1.761 121 HH12 ARG 13 HH12 ARG 13 15.128 -5.914 -3.045 122 HH21 ARG 13 HH21 ARG 13 17.598 -3.666 -2.117 123 HH22 ARG 13 HH22 ARG 13 17.133 -4.895 -3.247 124 H DAL 14 HN ALA 14 17.442 -7.148 0.627 125 HA DAL 14 HA ALA 14 19.785 -7.481 -1.134 126 HB1 DAL 14 HB1 ALA 14 17.016 -8.583 -1.557 127 HB2 DAL 14 HB2 ALA 14 18.301 -8.382 -2.749 128 HB3 DAL 14 HB3 ALA 14 17.486 -6.967 -2.084 129 H SER 15 HN SER 15 18.326 -10.062 -1.854 130 HA SER 15 HA SER 15 18.617 -11.850 0.313 131 HB2 SER 15 HB2 SER 15 18.611 -12.391 -2.656 132 HB3 SER 15 HB1 SER 15 18.473 -13.623 -1.405 133 HG SER 15 HG SER 15 16.746 -11.396 -1.444 134 H HIS 16 HN HIS 16 20.705 -10.908 -2.327 135 HA HIS 16 HA HIS 16 23.078 -11.570 -0.847 136 HB2 HIS 16 HB2 HIS 16 22.426 -13.818 -1.630 137 HB3 HIS 16 HB1 HIS 16 22.418 -13.229 -3.292 138 HD2 HIS 16 HD2 HIS 16 25.399 -11.576 -1.717 139 HE1 HIS 16 HE1 HIS 16 26.872 -15.271 -3.128 140 HE2 HIS 16 HE2 HIS 16 27.531 -12.980 -2.254 141 H DAL 17 HN ALA 17 22.600 -9.163 -1.646 142 HA DAL 17 HA ALA 17 23.120 -8.326 -4.250 143 HB1 DAL 17 HB1 ALA 17 25.268 -9.362 -4.229 144 HB2 DAL 17 HB2 ALA 17 25.622 -8.750 -2.621 145 HB3 DAL 17 HB3 ALA 17 25.546 -7.644 -3.992 146 H PHE 18 HN PHE 18 25.284 -6.507 -2.751 147 HA PHE 18 HA PHE 18 23.237 -4.650 -1.674 148 HB2 PHE 18 HB2 PHE 18 26.025 -5.138 -0.616 149 HB3 PHE 18 HB1 PHE 18 24.907 -3.925 -0.005 150 HD1 PHE 18 HD1 PHE 18 25.010 -7.628 -0.726 151 HD2 PHE 18 HD2 PHE 18 23.616 -4.508 1.860 152 HE1 PHE 18 HE1 PHE 18 23.997 -9.318 0.749 153 HE2 PHE 18 HE2 PHE 18 22.617 -6.214 3.348 154 HZ PHE 18 HZ PHE 18 22.806 -8.605 2.790 155 H TRP 19 HN TRP 19 23.260 -2.678 -2.561 156 HA TRP 19 HA TRP 19 25.675 -1.797 -4.051 157 HB2 TRP 19 HB2 TRP 19 22.786 -1.456 -4.878 158 HB3 TRP 19 HB1 TRP 19 24.170 -0.737 -5.696 159 HD1 TRP 19 HD1 TRP 19 23.175 -4.318 -4.555 160 HE1 TRP 19 HE1 TRP 19 23.820 -5.941 -6.456 161 HE3 TRP 19 HE3 TRP 19 25.218 -1.015 -7.885 162 HZ2 TRP 19 HZ2 TRP 19 25.042 -5.852 -9.041 163 HZ3 TRP 19 HZ3 TRP 19 26.112 -1.815 -10.048 164 HH2 TRP 19 HH2 TRP 19 26.029 -4.225 -10.633 165 H VAL 20 HN VAL 20 26.158 0.352 -4.031 166 HA VAL 20 HA VAL 20 24.416 2.336 -2.919 167 HB VAL 20 HB VAL 20 25.195 1.286 -0.829 168 HG11 VAL 20 HG11 VAL 20 27.400 0.813 -0.367 169 HG12 VAL 20 HG12 VAL 20 27.999 2.242 -1.207 170 HG13 VAL 20 HG13 VAL 20 27.548 0.810 -2.122 171 HG21 VAL 20 HG21 VAL 20 24.732 3.696 -0.877 172 HG22 VAL 20 HG22 VAL 20 26.381 4.026 -1.395 173 HG23 VAL 20 HG23 VAL 20 26.081 3.366 0.209 174 H GLN 21 HN GLN 21 24.817 3.426 -4.796 175 HA GLN 21 HA GLN 21 27.593 4.192 -5.445 176 HB2 GLN 21 HB2 GLN 21 25.028 4.578 -7.017 177 HB3 GLN 21 HB1 GLN 21 26.623 5.064 -7.549 178 HG2 GLN 21 HG2 GLN 21 26.055 2.987 -8.637 179 HG3 GLN 21 HG1 GLN 21 27.327 2.666 -7.472 180 HE21 GLN 21 HE21 GLN 21 24.400 1.505 -8.603 181 HE22 GLN 21 HE22 GLN 21 23.946 0.570 -7.261 182 H VAL 22 HN VAL 22 28.108 5.838 -4.037 183 HA VAL 22 HA VAL 22 26.542 8.316 -4.306 184 HB VAL 22 HB VAL 22 26.394 8.564 -1.791 185 HG11 VAL 22 HG11 VAL 22 24.578 7.471 -3.242 186 HG12 VAL 22 HG12 VAL 22 24.535 7.107 -1.518 187 HG13 VAL 22 HG13 VAL 22 25.188 5.925 -2.650 188 HG21 VAL 22 HG21 VAL 22 26.740 6.319 -0.546 189 HG22 VAL 22 HG22 VAL 22 28.172 7.249 -0.976 190 HG23 VAL 22 HG23 VAL 22 27.714 5.848 -1.940 191 HA DPR 23 HA PRO 23 30.010 10.566 -2.157 192 HB2 DPR 23 HB2 PRO 23 30.060 12.644 -3.225 193 HB3 DPR 23 HB1 PRO 23 29.701 11.940 -4.818 194 HG2 DPR 23 HG2 PRO 23 27.865 12.406 -2.503 195 HG3 DPR 23 HG1 PRO 23 27.601 12.732 -4.227 196 HD2 DPR 23 HD2 PRO 23 26.635 10.489 -2.971 197 HD3 DPR 23 HD1 PRO 23 27.049 10.531 -4.697 198 HAC 4G6 24 HAC 4G6 24 34.248 6.964 -2.782 199 HAB 4G6 24 HAB 4G6 24 32.578 7.067 -2.174 200 HAA 4G6 24 HAA 4G6 24 32.897 6.394 -3.791 201 HAF 4G6 24 HAF 4G6 24 33.979 10.402 -3.089 202 HAD 4G6 24 HAD 4G6 24 35.045 9.329 -4.030 203 HAE 4G6 24 HAE 4G6 24 34.699 8.968 -2.321 204 HAL 4G6 24 HAL 4G6 24 31.614 9.063 -2.210 205 HAH 4G6 24 HAH 4G6 24 34.022 7.927 -5.498 206 HAG 4G6 24 HAG 4G6 24 33.034 9.393 -5.639 207 HAI 4G6 24 HAI 4G6 24 31.400 7.059 -5.035 208 H LYS 25 HN LYS 25 31.368 4.815 -8.106 209 HA LYS 25 HA LYS 25 30.393 6.830 -8.413 210 HB2 LYS 25 HB2 LYS 25 28.507 6.249 -6.884 211 HB3 LYS 25 HB1 LYS 25 29.499 6.737 -5.535 212 HG2 LYS 25 HG2 LYS 25 27.953 8.530 -6.149 213 HG3 LYS 25 HG1 LYS 25 29.626 9.007 -6.324 214 HD2 LYS 25 HD2 LYS 25 28.223 9.837 -8.170 215 HD3 LYS 25 HD1 LYS 25 29.487 8.788 -8.760 216 HE2 LYS 25 HE2 LYS 25 26.611 7.938 -8.296 217 HE3 LYS 25 HE1 LYS 25 27.262 8.418 -9.855 218 HZ1 LYS 25 HZ1 LYS 25 28.274 6.459 -10.127 219 HZ2 LYS 25 HZ2 LYS 25 27.168 5.903 -8.970 220 HZ3 LYS 25 HZ3 LYS 25 28.740 6.321 -8.511 221 H GLU 26 HN GLU 26 29.805 1.796 -6.030 222 HA GLU 26 HA GLU 26 32.468 3.012 -5.919 223 HB2 GLU 26 HB2 GLU 26 30.566 2.705 -8.253 224 HB3 GLU 26 HB1 GLU 26 32.197 3.363 -8.332 225 HG2 GLU 26 HG2 GLU 26 32.215 1.024 -9.038 226 HG3 GLU 26 HG1 GLU 26 33.107 1.209 -7.531 227 H PHE 27 HN PHE 27 30.937 -0.928 -4.964 228 HA PHE 27 HA PHE 27 29.017 0.982 -3.927 229 HB2 PHE 27 HB2 PHE 27 30.228 1.357 -1.828 230 HB3 PHE 27 HB1 PHE 27 29.565 -0.262 -1.914 231 HD1 PHE 27 HD1 PHE 27 31.343 -0.085 0.096 232 HD2 PHE 27 HD2 PHE 27 32.379 -0.426 -4.066 233 HE1 PHE 27 HE1 PHE 27 33.533 -1.029 0.702 234 HE2 PHE 27 HE2 PHE 27 34.554 -1.355 -3.444 235 HZ PHE 27 HZ PHE 27 35.127 -1.655 -1.069 236 H LYS 28 HN LYS 28 28.945 -4.665 -4.444 237 HA LYS 28 HA LYS 28 30.183 -2.693 -5.957 238 HB2 LYS 28 HB2 LYS 28 27.243 -3.294 -5.643 239 HB3 LYS 28 HB1 LYS 28 27.906 -2.200 -6.847 240 HG2 LYS 28 HG2 LYS 28 27.469 -4.395 -7.843 241 HG3 LYS 28 HG1 LYS 28 29.193 -4.067 -7.835 242 HD2 LYS 28 HD2 LYS 28 29.502 -5.539 -5.912 243 HD3 LYS 28 HD1 LYS 28 27.760 -5.796 -5.788 244 HE2 LYS 28 HE2 LYS 28 27.786 -6.806 -8.045 245 HE3 LYS 28 HE1 LYS 28 29.526 -6.536 -8.141 246 HZ1 LYS 28 HZ1 LYS 28 28.071 -8.308 -6.265 247 HZ2 LYS 28 HZ2 LYS 28 29.704 -7.888 -6.061 248 HZ3 LYS 28 HZ3 LYS 28 29.213 -8.752 -7.438 249 H HIS 29 HN HIS 29 32.439 -6.234 -2.215 250 HA HIS 29 HA HIS 29 29.861 -5.770 -2.873 251 HB2 HIS 29 HB2 HIS 29 30.712 -5.558 -0.592 252 HB3 HIS 29 HB1 HIS 29 31.527 -4.053 -1.024 253 HD2 HIS 29 HD2 HIS 29 28.191 -5.085 0.407 254 HE1 HIS 29 HE1 HIS 29 27.443 -1.408 -1.506 255 HE2 HIS 29 HE2 HIS 29 26.520 -3.102 0.137 256 H1 ACE 30 HA2 ACE 30 33.806 -7.093 -5.400 257 H2 ACE 30 HA3 ACE 30 33.591 -7.750 -3.777 258 H3 ACE 30 HA1 ACE 30 34.487 -6.248 -4.010 Start of MODEL 5 1 HN1 NH2 0 H1 THR 1 19.908 -7.622 11.745 2 HN2 NH2 0 H2 THR 1 19.808 -7.019 13.328 3 H THR 1 HN THR 1 22.743 -4.333 11.339 4 HA THR 1 HA THR 1 20.636 -5.644 9.999 5 HB THR 1 HB THR 1 22.432 -7.097 9.215 6 HG1 THR 1 HG1 THR 1 20.401 -8.004 9.748 7 HG21 THR 1 HG21 THR 1 23.015 -7.474 12.164 8 HG22 THR 1 HG22 THR 1 24.105 -6.839 10.931 9 HG23 THR 1 HG23 THR 1 23.631 -8.534 10.900 10 H GLU 2 HN GLU 2 23.538 -2.943 7.304 11 HA GLU 2 HA GLU 2 24.848 -3.685 9.706 12 HB2 GLU 2 HB2 GLU 2 23.265 -2.597 11.294 13 HB3 GLU 2 HB1 GLU 2 24.361 -1.495 10.478 14 HG2 GLU 2 HG2 GLU 2 22.132 -0.520 10.557 15 HG3 GLU 2 HG1 GLU 2 22.552 -0.888 8.893 16 H ILE 3 HN ILE 3 26.801 -0.036 7.064 17 HA ILE 3 HA ILE 3 24.352 -1.187 6.017 18 HB ILE 3 HB ILE 3 25.404 -3.372 5.516 19 HG12 ILE 3 HG12 ILE 3 27.853 -3.450 5.061 20 HG13 ILE 3 HG11 ILE 3 28.022 -1.854 5.772 21 HG21 ILE 3 HG21 ILE 3 24.940 -1.571 3.789 22 HG22 ILE 3 HG22 ILE 3 26.145 -2.773 3.328 23 HG23 ILE 3 HG23 ILE 3 26.658 -1.174 3.866 24 HD11 ILE 3 HD11 ILE 3 27.809 -2.652 7.917 25 HD12 ILE 3 HD12 ILE 3 28.420 -4.115 7.163 26 HD13 ILE 3 HD13 ILE 3 26.694 -3.940 7.449 27 H ARG 4 HN ARG 4 25.481 3.027 4.251 28 HA ARG 4 HA ARG 4 27.828 1.719 5.456 29 HB2 ARG 4 HB2 ARG 4 25.539 2.946 7.024 30 HB3 ARG 4 HB1 ARG 4 26.837 1.962 7.701 31 HG2 ARG 4 HG2 ARG 4 28.497 3.617 6.925 32 HG3 ARG 4 HG1 ARG 4 27.196 4.604 6.258 33 HD2 ARG 4 HD2 ARG 4 26.208 4.821 8.511 34 HD3 ARG 4 HD1 ARG 4 27.517 3.847 9.176 35 HE ARG 4 HE ARG 4 28.641 6.014 7.772 36 HH11 ARG 4 HH11 ARG 4 29.378 7.818 8.943 37 HH12 ARG 4 HH12 ARG 4 28.786 8.103 10.546 38 HH21 ARG 4 HH21 ARG 4 26.730 5.312 10.568 39 HH22 ARG 4 HH22 ARG 4 27.287 6.684 11.465 40 H VAL 5 HN VAL 5 28.660 5.472 2.463 41 HA VAL 5 HA VAL 5 25.849 4.957 3.096 42 HB VAL 5 HB VAL 5 25.819 2.897 1.747 43 HG11 VAL 5 HG11 VAL 5 26.538 5.210 -0.057 44 HG12 VAL 5 HG12 VAL 5 25.073 5.245 0.920 45 HG13 VAL 5 HG13 VAL 5 25.292 3.983 -0.283 46 HG21 VAL 5 HG21 VAL 5 28.353 3.964 0.469 47 HG22 VAL 5 HG22 VAL 5 27.551 2.430 0.139 48 HG23 VAL 5 HG23 VAL 5 28.360 2.683 1.681 49 H8 4FU 6 HAM 4FU 6 29.288 7.618 3.613 50 H9 4FU 6 HAI 4FU 6 30.404 9.979 3.297 51 HAI 4FU 6 HAJ 4FU 6 31.017 8.574 2.407 52 H112 4FU 6 HAE 4FU 6 30.282 9.351 0.385 53 H111 4FU 6 HAF 4FU 6 30.508 10.905 1.214 54 HAG 4FU 6 HAG 4FU 6 28.106 10.899 1.846 55 H12 4FU 6 HAH 4FU 6 28.342 10.851 0.085 56 HAL 4FU 6 HAL 4FU 6 27.558 8.711 -0.105 57 HAK 4FU 6 HAK 4FU 6 26.656 9.189 1.345 58 H14 4FU 6 HAN 4FU 6 29.071 7.418 1.095 59 H GLY 7 HN GLY 7 26.478 8.041 3.481 60 HA2 GLY 7 HA2 GLY 7 26.197 10.052 5.515 61 HA3 GLY 7 HA1 GLY 7 25.486 10.559 3.999 62 H VAL 8 HN VAL 8 24.658 7.799 3.343 63 HA VAL 8 HA VAL 8 22.282 7.687 5.110 64 HB VAL 8 HB VAL 8 21.783 8.065 2.752 65 HG11 VAL 8 HG11 VAL 8 23.228 5.436 2.315 66 HG12 VAL 8 HG12 VAL 8 23.770 7.021 1.762 67 HG13 VAL 8 HG13 VAL 8 22.311 6.305 1.086 68 HG21 VAL 8 HG21 VAL 8 20.128 6.364 2.515 69 HG22 VAL 8 HG22 VAL 8 20.355 6.558 4.253 70 HG23 VAL 8 HG23 VAL 8 21.095 5.196 3.414 71 H THR 9 HN THR 9 21.372 5.574 5.633 72 HA THR 9 HA THR 9 23.451 3.482 5.941 73 HB THR 9 HB THR 9 21.144 4.188 7.768 74 HG1 THR 9 HG1 THR 9 23.767 4.251 8.611 75 HG21 THR 9 HG21 THR 9 21.524 1.835 7.873 76 HG22 THR 9 HG22 THR 9 22.343 2.535 9.269 77 HG23 THR 9 HG23 THR 9 23.273 2.052 7.851 78 H ILE 10 HN ILE 10 23.006 1.548 5.073 79 HA ILE 10 HA ILE 10 20.273 1.047 4.060 80 HB ILE 10 HB ILE 10 22.898 -0.239 3.273 81 HG12 ILE 10 HG12 ILE 10 22.512 0.923 1.112 82 HG13 ILE 10 HG11 ILE 10 21.094 1.708 1.795 83 HG21 ILE 10 HG21 ILE 10 21.402 -1.121 1.379 84 HG22 ILE 10 HG22 ILE 10 20.039 -0.670 2.404 85 HG23 ILE 10 HG23 ILE 10 21.205 -1.868 2.964 86 HD11 ILE 10 HD11 ILE 10 23.491 2.888 1.757 87 HD12 ILE 10 HD12 ILE 10 23.672 2.020 3.278 88 HD13 ILE 10 HD13 ILE 10 22.346 3.165 3.060 89 H ARG 11 HN ARG 11 19.034 -0.380 5.003 90 HA ARG 11 HA ARG 11 19.846 -1.921 7.220 91 HB2 ARG 11 HB2 ARG 11 17.550 -2.821 7.100 92 HB3 ARG 11 HB1 ARG 11 17.575 -1.060 6.983 93 HG2 ARG 11 HG2 ARG 11 17.455 -1.227 4.517 94 HG3 ARG 11 HG1 ARG 11 17.394 -2.986 4.645 95 HD2 ARG 11 HD2 ARG 11 15.385 -1.070 5.848 96 HD3 ARG 11 HD1 ARG 11 15.138 -2.025 4.389 97 HE ARG 11 HE ARG 11 15.834 -3.789 6.454 98 HH11 ARG 11 HH11 ARG 11 14.168 -4.949 7.488 99 HH12 ARG 11 HH12 ARG 11 12.547 -4.341 7.444 100 HH21 ARG 11 HH21 ARG 11 13.395 -1.530 5.583 101 HH22 ARG 11 HH22 ARG 11 12.103 -2.392 6.359 102 H MET 12 HN MET 12 19.274 -4.362 7.271 103 HA MET 12 HA MET 12 20.958 -5.673 5.355 104 HB2 MET 12 HB2 MET 12 20.773 -6.380 7.729 105 HB3 MET 12 HB1 MET 12 19.101 -6.840 7.451 106 HG2 MET 12 HG2 MET 12 21.486 -8.055 6.018 107 HG3 MET 12 HG1 MET 12 20.667 -8.785 7.392 108 HE1 MET 12 HE1 MET 12 19.756 -11.016 4.328 109 HE2 MET 12 HE2 MET 12 20.236 -11.046 6.022 110 HE3 MET 12 HE3 MET 12 21.260 -10.237 4.839 111 H ARG 13 HN ARG 13 20.184 -5.617 3.319 112 HA ARG 13 HA ARG 13 18.158 -7.413 2.568 113 HB2 ARG 13 HB2 ARG 13 16.629 -5.686 3.363 114 HB3 ARG 13 HB1 ARG 13 17.453 -4.472 2.396 115 HG2 ARG 13 HG2 ARG 13 15.376 -5.138 1.294 116 HG3 ARG 13 HG1 ARG 13 16.752 -5.655 0.329 117 HD2 ARG 13 HD2 ARG 13 16.504 -7.957 1.163 118 HD3 ARG 13 HD1 ARG 13 15.189 -7.451 2.220 119 HE ARG 13 HE ARG 13 14.531 -6.760 -0.433 120 HH11 ARG 13 HH11 ARG 13 13.126 -8.101 -1.598 121 HH12 ARG 13 HH12 ARG 13 12.913 -9.751 -1.120 122 HH21 ARG 13 HH21 ARG 13 15.112 -9.534 1.554 123 HH22 ARG 13 HH22 ARG 13 14.040 -10.563 0.666 124 H DAL 14 HN ALA 14 18.817 -8.156 0.643 125 HA DAL 14 HA ALA 14 20.888 -6.923 -0.860 126 HB1 DAL 14 HB1 ALA 14 18.123 -6.771 -2.090 127 HB2 DAL 14 HB2 ALA 14 19.636 -6.336 -2.882 128 HB3 DAL 14 HB3 ALA 14 19.054 -5.389 -1.515 129 H SER 15 HN SER 15 20.218 -7.953 -3.398 130 HA SER 15 HA SER 15 19.644 -10.773 -3.041 131 HB2 SER 15 HB2 SER 15 20.545 -9.256 -5.493 132 HB3 SER 15 HB1 SER 15 20.030 -10.939 -5.450 133 HG SER 15 HG SER 15 18.479 -8.674 -4.708 134 H HIS 16 HN HIS 16 21.179 -11.867 -2.067 135 HA HIS 16 HA HIS 16 23.294 -12.434 -1.291 136 HB2 HIS 16 HB2 HIS 16 24.601 -13.548 -3.049 137 HB3 HIS 16 HB1 HIS 16 22.893 -13.962 -3.156 138 HD2 HIS 16 HD2 HIS 16 25.596 -12.883 -5.515 139 HE1 HIS 16 HE1 HIS 16 22.044 -11.412 -7.257 140 HE2 HIS 16 HE2 HIS 16 24.505 -11.881 -7.666 141 H DAL 17 HN ALA 17 23.029 -9.503 -1.852 142 HA DAL 17 HA ALA 17 25.479 -8.668 -3.090 143 HB1 DAL 17 HB1 ALA 17 26.591 -9.501 -1.180 144 HB2 DAL 17 HB2 ALA 17 25.359 -8.877 -0.088 145 HB3 DAL 17 HB3 ALA 17 26.456 -7.765 -0.914 146 H PHE 18 HN PHE 18 25.939 -6.278 -1.870 147 HA PHE 18 HA PHE 18 23.365 -4.845 -2.260 148 HB2 PHE 18 HB2 PHE 18 25.568 -4.132 -0.324 149 HB3 PHE 18 HB1 PHE 18 24.194 -3.105 -0.698 150 HD1 PHE 18 HD1 PHE 18 24.865 -6.664 0.338 151 HD2 PHE 18 HD2 PHE 18 22.391 -3.196 0.774 152 HE1 PHE 18 HE1 PHE 18 23.531 -7.838 2.052 153 HE2 PHE 18 HE2 PHE 18 21.063 -4.357 2.493 154 HZ PHE 18 HZ PHE 18 21.632 -6.679 3.129 155 H TRP 19 HN TRP 19 23.443 -2.948 -3.391 156 HA TRP 19 HA TRP 19 26.014 -2.255 -4.707 157 HB2 TRP 19 HB2 TRP 19 23.216 -2.192 -5.855 158 HB3 TRP 19 HB1 TRP 19 24.636 -1.516 -6.646 159 HD1 TRP 19 HD1 TRP 19 23.792 -4.938 -5.010 160 HE1 TRP 19 HE1 TRP 19 24.681 -6.782 -6.585 161 HE3 TRP 19 HE3 TRP 19 25.782 -2.036 -8.708 162 HZ2 TRP 19 HZ2 TRP 19 26.056 -6.991 -9.091 163 HZ3 TRP 19 HZ3 TRP 19 26.870 -3.079 -10.673 164 HH2 TRP 19 HH2 TRP 19 27.010 -5.548 -10.872 165 H VAL 20 HN VAL 20 26.580 -0.147 -4.760 166 HA VAL 20 HA VAL 20 24.661 1.810 -3.587 167 HB VAL 20 HB VAL 20 26.623 1.437 -2.134 168 HG11 VAL 20 HG11 VAL 20 28.202 0.770 -3.910 169 HG12 VAL 20 HG12 VAL 20 28.849 2.075 -2.920 170 HG13 VAL 20 HG13 VAL 20 28.200 2.420 -4.521 171 HG21 VAL 20 HG21 VAL 20 27.065 3.711 -1.751 172 HG22 VAL 20 HG22 VAL 20 25.514 3.755 -2.585 173 HG23 VAL 20 HG23 VAL 20 27.000 4.123 -3.459 174 H GLN 21 HN GLN 21 25.175 4.073 -4.336 175 HA GLN 21 HA GLN 21 26.519 4.535 -6.747 176 HB2 GLN 21 HB2 GLN 21 24.519 4.911 -8.202 177 HB3 GLN 21 HB1 GLN 21 24.891 3.234 -7.844 178 HG2 GLN 21 HG2 GLN 21 22.470 3.675 -7.739 179 HG3 GLN 21 HG1 GLN 21 23.096 3.148 -6.192 180 HE21 GLN 21 HE21 GLN 21 21.091 5.414 -7.641 181 HE22 GLN 21 HE22 GLN 21 21.071 6.577 -6.407 182 H VAL 22 HN VAL 22 26.663 5.854 -4.437 183 HA VAL 22 HA VAL 22 24.844 8.061 -4.298 184 HB VAL 22 HB VAL 22 26.500 8.965 -2.592 185 HG11 VAL 22 HG11 VAL 22 25.989 6.007 -2.189 186 HG12 VAL 22 HG12 VAL 22 24.690 7.195 -2.125 187 HG13 VAL 22 HG13 VAL 22 26.022 7.285 -0.975 188 HG21 VAL 22 HG21 VAL 22 28.533 8.102 -3.690 189 HG22 VAL 22 HG22 VAL 22 28.007 6.448 -3.380 190 HG23 VAL 22 HG23 VAL 22 28.415 7.512 -2.033 191 HA DPR 23 HA PRO 23 27.541 11.566 -5.712 192 HB2 DPR 23 HB2 PRO 23 25.996 13.174 -6.416 193 HB3 DPR 23 HB1 PRO 23 24.907 11.958 -7.118 194 HG2 DPR 23 HG2 PRO 23 25.338 12.667 -4.242 195 HG3 DPR 23 HG1 PRO 23 23.818 12.386 -5.112 196 HD2 DPR 23 HD2 PRO 23 25.010 10.465 -3.551 197 HD3 DPR 23 HD1 PRO 23 24.001 10.079 -4.964 198 HAC 4G6 24 HAC 4G6 24 29.201 10.634 -11.054 199 HAB 4G6 24 HAB 4G6 24 27.990 11.548 -10.124 200 HAA 4G6 24 HAA 4G6 24 29.723 11.764 -9.783 201 HAF 4G6 24 HAF 4G6 24 28.594 8.173 -10.273 202 HAD 4G6 24 HAD 4G6 24 27.165 9.229 -10.134 203 HAE 4G6 24 HAE 4G6 24 27.640 8.185 -8.772 204 HAL 4G6 24 HAL 4G6 24 28.995 10.620 -7.028 205 HAH 4G6 24 HAH 4G6 24 31.011 10.197 -8.768 206 HAG 4G6 24 HAG 4G6 24 30.571 8.748 -9.698 207 HAI 4G6 24 HAI 4G6 24 29.857 8.828 -6.807 208 H LYS 25 HN LYS 25 31.939 4.877 -7.006 209 HA LYS 25 HA LYS 25 30.284 6.936 -5.701 210 HB2 LYS 25 HB2 LYS 25 32.460 6.442 -4.596 211 HB3 LYS 25 HB1 LYS 25 33.280 6.765 -6.102 212 HG2 LYS 25 HG2 LYS 25 33.439 8.709 -4.625 213 HG3 LYS 25 HG1 LYS 25 32.524 9.088 -6.072 214 HD2 LYS 25 HD2 LYS 25 31.503 10.081 -4.065 215 HD3 LYS 25 HD1 LYS 25 30.411 8.944 -4.815 216 HE2 LYS 25 HE2 LYS 25 32.171 8.328 -2.422 217 HE3 LYS 25 HE1 LYS 25 30.481 8.789 -2.310 218 HZ1 LYS 25 HZ1 LYS 25 30.174 6.590 -2.315 219 HZ2 LYS 25 HZ2 LYS 25 31.675 6.252 -3.026 220 HZ3 LYS 25 HZ3 LYS 25 30.358 6.713 -3.990 221 H GLU 26 HN GLU 26 29.846 2.305 -4.783 222 HA GLU 26 HA GLU 26 31.155 2.926 -7.335 223 HB2 GLU 26 HB2 GLU 26 28.165 2.713 -6.976 224 HB3 GLU 26 HB1 GLU 26 28.978 3.302 -8.414 225 HG2 GLU 26 HG2 GLU 26 28.303 0.984 -8.748 226 HG3 GLU 26 HG1 GLU 26 30.059 1.087 -8.690 227 H PHE 27 HN PHE 27 32.222 -1.529 -4.555 228 HA PHE 27 HA PHE 27 30.516 0.642 -3.594 229 HB2 PHE 27 HB2 PHE 27 33.510 0.493 -3.981 230 HB3 PHE 27 HB1 PHE 27 32.654 1.856 -3.284 231 HD1 PHE 27 HD1 PHE 27 34.651 1.056 -1.641 232 HD2 PHE 27 HD2 PHE 27 30.870 -0.947 -2.077 233 HE1 PHE 27 HE1 PHE 27 34.894 0.084 0.609 234 HE2 PHE 27 HE2 PHE 27 31.131 -1.902 0.172 235 HZ PHE 27 HZ PHE 27 33.135 -1.388 1.498 236 H LYS 28 HN LYS 28 29.143 -4.734 -4.092 237 HA LYS 28 HA LYS 28 31.431 -3.474 -4.982 238 HB2 LYS 28 HB2 LYS 28 28.647 -3.401 -6.145 239 HB3 LYS 28 HB1 LYS 28 30.111 -2.921 -7.001 240 HG2 LYS 28 HG2 LYS 28 31.037 -5.190 -6.705 241 HG3 LYS 28 HG1 LYS 28 29.572 -5.676 -5.850 242 HD2 LYS 28 HD2 LYS 28 28.228 -5.171 -7.860 243 HD3 LYS 28 HD1 LYS 28 29.691 -4.687 -8.719 244 HE2 LYS 28 HE2 LYS 28 30.614 -6.957 -8.432 245 HE3 LYS 28 HE1 LYS 28 29.155 -7.444 -7.569 246 HZ1 LYS 28 HZ1 LYS 28 29.463 -7.771 -10.175 247 HZ2 LYS 28 HZ2 LYS 28 28.775 -6.218 -10.183 248 HZ3 LYS 28 HZ3 LYS 28 27.947 -7.512 -9.458 249 H HIS 29 HN HIS 29 30.525 -6.680 -0.720 250 HA HIS 29 HA HIS 29 28.584 -5.192 -1.929 251 HB2 HIS 29 HB2 HIS 29 29.166 -5.116 0.482 252 HB3 HIS 29 HB1 HIS 29 30.592 -4.160 0.089 253 HD2 HIS 29 HD2 HIS 29 27.134 -3.472 1.237 254 HE1 HIS 29 HE1 HIS 29 28.092 -0.117 -1.141 255 HE2 HIS 29 HE2 HIS 29 26.470 -1.028 0.589 256 H1 ACE 30 HA2 ACE 30 32.371 -7.991 -1.856 257 H2 ACE 30 HA3 ACE 30 31.907 -8.479 -3.485 258 H3 ACE 30 HA1 ACE 30 30.882 -8.899 -2.114 Start of MODEL 6 1 HN1 NH2 0 H1 THR 1 29.574 -6.170 10.533 2 HN2 NH2 0 H2 THR 1 28.950 -7.304 9.436 3 H THR 1 HN THR 1 25.691 -3.764 11.670 4 HA THR 1 HA THR 1 28.266 -4.344 11.269 5 HB THR 1 HB THR 1 27.155 -4.762 13.424 6 HG1 THR 1 HG1 THR 1 28.175 -7.100 13.490 7 HG21 THR 1 HG21 THR 1 25.284 -6.079 13.459 8 HG22 THR 1 HG22 THR 1 26.364 -7.454 13.259 9 HG23 THR 1 HG23 THR 1 25.621 -6.716 11.845 10 H GLU 2 HN GLU 2 23.767 -2.545 7.589 11 HA GLU 2 HA GLU 2 24.631 -2.301 10.184 12 HB2 GLU 2 HB2 GLU 2 23.273 -4.744 9.029 13 HB3 GLU 2 HB1 GLU 2 23.446 -4.408 10.750 14 HG2 GLU 2 HG2 GLU 2 21.235 -3.706 9.963 15 HG3 GLU 2 HG1 GLU 2 22.182 -2.305 10.459 16 H ILE 3 HN ILE 3 27.223 -0.110 6.762 17 HA ILE 3 HA ILE 3 24.637 -1.215 5.970 18 HB ILE 3 HB ILE 3 25.599 -3.369 5.279 19 HG12 ILE 3 HG12 ILE 3 28.288 -1.968 5.467 20 HG13 ILE 3 HG11 ILE 3 27.728 -3.237 6.556 21 HG21 ILE 3 HG21 ILE 3 26.391 -2.708 3.097 22 HG22 ILE 3 HG22 ILE 3 26.859 -1.118 3.698 23 HG23 ILE 3 HG23 ILE 3 25.158 -1.557 3.597 24 HD11 ILE 3 HD11 ILE 3 27.436 -4.711 4.512 25 HD12 ILE 3 HD12 ILE 3 29.105 -4.305 4.914 26 HD13 ILE 3 HD13 ILE 3 28.288 -3.468 3.594 27 H ARG 4 HN ARG 4 25.673 2.985 4.115 28 HA ARG 4 HA ARG 4 28.058 1.721 5.120 29 HB2 ARG 4 HB2 ARG 4 27.419 1.861 7.504 30 HB3 ARG 4 HB1 ARG 4 27.745 3.445 6.792 31 HG2 ARG 4 HG2 ARG 4 25.360 3.853 6.492 32 HG3 ARG 4 HG1 ARG 4 24.980 2.248 7.089 33 HD2 ARG 4 HD2 ARG 4 24.552 3.943 8.805 34 HD3 ARG 4 HD1 ARG 4 25.813 2.839 9.312 35 HE ARG 4 HE ARG 4 26.055 5.676 8.936 36 HH11 ARG 4 HH11 ARG 4 28.097 6.638 9.007 37 HH12 ARG 4 HH12 ARG 4 29.516 5.647 9.074 38 HH21 ARG 4 HH21 ARG 4 27.755 2.665 9.058 39 HH22 ARG 4 HH22 ARG 4 29.322 3.399 9.099 40 H VAL 5 HN VAL 5 28.494 6.193 3.193 41 HA VAL 5 HA VAL 5 25.788 5.236 3.355 42 HB VAL 5 HB VAL 5 26.176 4.957 0.951 43 HG11 VAL 5 HG11 VAL 5 28.716 4.741 1.300 44 HG12 VAL 5 HG12 VAL 5 27.995 3.680 0.091 45 HG13 VAL 5 HG13 VAL 5 28.405 3.048 1.684 46 HG21 VAL 5 HG21 VAL 5 26.389 2.209 2.191 47 HG22 VAL 5 HG22 VAL 5 25.402 2.731 0.828 48 HG23 VAL 5 HG23 VAL 5 24.959 3.207 2.463 49 H8 4FU 6 HAM 4FU 6 27.982 10.539 2.708 50 H9 4FU 6 HAI 4FU 6 25.823 9.403 0.922 51 HAI 4FU 6 HAJ 4FU 6 25.834 11.079 1.520 52 H112 4FU 6 HAE 4FU 6 27.605 11.693 0.219 53 H111 4FU 6 HAF 4FU 6 26.999 10.373 -0.798 54 HAG 4FU 6 HAG 4FU 6 29.301 9.903 -0.649 55 H12 4FU 6 HAH 4FU 6 29.376 10.410 1.058 56 HAL 4FU 6 HAL 4FU 6 29.421 7.900 0.685 57 HAK 4FU 6 HAK 4FU 6 27.752 8.025 0.081 58 H14 4FU 6 HAN 4FU 6 28.821 8.355 2.849 59 H GLY 7 HN GLY 7 27.439 8.103 4.392 60 HA2 GLY 7 HA2 GLY 7 26.457 7.825 6.461 61 HA3 GLY 7 HA1 GLY 7 25.736 9.410 6.274 62 H VAL 8 HN VAL 8 25.071 7.306 3.699 63 HA VAL 8 HA VAL 8 22.264 7.195 4.440 64 HB VAL 8 HB VAL 8 23.728 6.015 2.064 65 HG11 VAL 8 HG11 VAL 8 21.371 6.024 1.103 66 HG12 VAL 8 HG12 VAL 8 20.793 6.313 2.745 67 HG13 VAL 8 HG13 VAL 8 21.666 4.828 2.365 68 HG21 VAL 8 HG21 VAL 8 21.958 8.469 2.150 69 HG22 VAL 8 HG22 VAL 8 23.046 7.959 0.859 70 HG23 VAL 8 HG23 VAL 8 23.705 8.566 2.378 71 H THR 9 HN THR 9 21.494 5.649 5.776 72 HA THR 9 HA THR 9 23.033 3.271 6.319 73 HB THR 9 HB THR 9 21.674 4.386 8.083 74 HG1 THR 9 HG1 THR 9 21.674 2.442 8.858 75 HG21 THR 9 HG21 THR 9 19.288 4.297 8.015 76 HG22 THR 9 HG22 THR 9 19.312 3.214 6.623 77 HG23 THR 9 HG23 THR 9 19.791 4.902 6.435 78 H ILE 10 HN ILE 10 22.475 1.175 5.886 79 HA ILE 10 HA ILE 10 20.366 0.676 3.867 80 HB ILE 10 HB ILE 10 23.144 -0.507 3.920 81 HG12 ILE 10 HG12 ILE 10 23.144 1.812 3.100 82 HG13 ILE 10 HG11 ILE 10 23.465 0.689 1.785 83 HG21 ILE 10 HG21 ILE 10 20.711 -1.038 2.227 84 HG22 ILE 10 HG22 ILE 10 21.716 -2.194 3.101 85 HG23 ILE 10 HG23 ILE 10 22.334 -1.408 1.648 86 HD11 ILE 10 HD11 ILE 10 21.131 2.469 2.221 87 HD12 ILE 10 HD12 ILE 10 20.749 0.877 1.581 88 HD13 ILE 10 HD13 ILE 10 21.865 1.927 0.720 89 H ARG 11 HN ARG 11 18.952 -0.749 4.628 90 HA ARG 11 HA ARG 11 19.785 -3.122 5.987 91 HB2 ARG 11 HB2 ARG 11 18.465 -2.807 7.980 92 HB3 ARG 11 HB1 ARG 11 19.593 -1.477 7.825 93 HG2 ARG 11 HG2 ARG 11 16.656 -1.365 7.086 94 HG3 ARG 11 HG1 ARG 11 17.364 -0.702 8.545 95 HD2 ARG 11 HD2 ARG 11 18.741 0.834 7.126 96 HD3 ARG 11 HD1 ARG 11 17.925 0.199 5.706 97 HE ARG 11 HE ARG 11 16.177 1.589 6.175 98 HH11 ARG 11 HH11 ARG 11 14.830 2.850 7.484 99 HH12 ARG 11 HH12 ARG 11 15.161 2.996 9.178 100 HH21 ARG 11 HH21 ARG 11 17.966 0.968 9.080 101 HH22 ARG 11 HH22 ARG 11 16.930 1.933 10.079 102 H MET 12 HN MET 12 18.471 -2.417 3.506 103 HA MET 12 HA MET 12 15.823 -3.715 3.912 104 HB2 MET 12 HB2 MET 12 16.681 -1.792 1.737 105 HB3 MET 12 HB1 MET 12 15.094 -2.549 1.877 106 HG2 MET 12 HG2 MET 12 14.780 -1.474 4.084 107 HG3 MET 12 HG1 MET 12 16.355 -0.697 3.923 108 HE1 MET 12 HE1 MET 12 16.194 0.193 0.544 109 HE2 MET 12 HE2 MET 12 17.085 0.506 2.032 110 HE3 MET 12 HE3 MET 12 16.164 1.804 1.275 111 H ARG 13 HN ARG 13 15.490 -5.606 2.925 112 HA ARG 13 HA ARG 13 16.106 -7.575 1.862 113 HB2 ARG 13 HB2 ARG 13 16.279 -5.535 -0.362 114 HB3 ARG 13 HB1 ARG 13 16.178 -7.278 -0.605 115 HG2 ARG 13 HG2 ARG 13 14.071 -7.341 0.610 116 HG3 ARG 13 HG1 ARG 13 14.144 -5.599 0.863 117 HD2 ARG 13 HD2 ARG 13 12.692 -6.120 -1.056 118 HD3 ARG 13 HD1 ARG 13 14.125 -5.242 -1.582 119 HE ARG 13 HE ARG 13 14.661 -7.085 -2.863 120 HH11 ARG 13 HH11 ARG 13 14.595 -9.265 -3.471 121 HH12 ARG 13 HH12 ARG 13 13.676 -10.396 -2.535 122 HH21 ARG 13 HH21 ARG 13 12.594 -8.031 -0.246 123 HH22 ARG 13 HH22 ARG 13 12.545 -9.699 -0.713 124 H DAL 14 HN ALA 14 17.681 -8.066 -0.309 125 HA DAL 14 HA ALA 14 20.243 -8.363 0.883 126 HB1 DAL 14 HB1 ALA 14 20.316 -6.485 -1.468 127 HB2 DAL 14 HB2 ALA 14 21.567 -6.813 -0.272 128 HB3 DAL 14 HB3 ALA 14 20.152 -5.869 0.175 129 H SER 15 HN SER 15 18.366 -10.047 -0.397 130 HA SER 15 HA SER 15 18.392 -11.847 -1.854 131 HB2 SER 15 HB2 SER 15 17.807 -10.065 -3.454 132 HB3 SER 15 HB1 SER 15 19.520 -9.748 -3.706 133 HG SER 15 HG SER 15 19.719 -11.578 -4.800 134 H HIS 16 HN HIS 16 20.746 -11.042 -0.262 135 HA HIS 16 HA HIS 16 22.838 -11.846 0.216 136 HB2 HIS 16 HB2 HIS 16 21.902 -14.040 -0.560 137 HB3 HIS 16 HB1 HIS 16 22.469 -13.666 -2.183 138 HD2 HIS 16 HD2 HIS 16 23.765 -15.540 0.776 139 HE1 HIS 16 HE1 HIS 16 27.243 -14.084 -1.121 140 HE2 HIS 16 HE2 HIS 16 26.367 -15.708 0.623 141 H DAL 17 HN ALA 17 22.800 -9.498 -0.909 142 HA DAL 17 HA ALA 17 24.208 -9.265 -3.386 143 HB1 DAL 17 HB1 ALA 17 25.793 -8.945 -0.839 144 HB2 DAL 17 HB2 ALA 17 26.325 -8.365 -2.415 145 HB3 DAL 17 HB3 ALA 17 26.093 -10.087 -2.141 146 H PHE 18 HN PHE 18 25.607 -6.862 -2.013 147 HA PHE 18 HA PHE 18 23.243 -5.073 -2.179 148 HB2 PHE 18 HB2 PHE 18 25.591 -4.768 -0.293 149 HB3 PHE 18 HB1 PHE 18 24.305 -3.590 -0.511 150 HD1 PHE 18 HD1 PHE 18 24.713 -7.255 0.232 151 HD2 PHE 18 HD2 PHE 18 22.522 -3.656 1.004 152 HE1 PHE 18 HE1 PHE 18 23.340 -8.456 1.895 153 HE2 PHE 18 HE2 PHE 18 21.150 -4.853 2.675 154 HZ PHE 18 HZ PHE 18 21.563 -7.249 3.116 155 H TRP 19 HN TRP 19 23.470 -3.277 -3.396 156 HA TRP 19 HA TRP 19 26.147 -2.688 -4.538 157 HB2 TRP 19 HB2 TRP 19 23.492 -2.651 -5.988 158 HB3 TRP 19 HB1 TRP 19 25.019 -2.077 -6.652 159 HD1 TRP 19 HD1 TRP 19 23.786 -5.346 -4.949 160 HE1 TRP 19 HE1 TRP 19 24.801 -7.328 -6.250 161 HE3 TRP 19 HE3 TRP 19 26.501 -2.802 -8.452 162 HZ2 TRP 19 HZ2 TRP 19 26.539 -7.776 -8.480 163 HZ3 TRP 19 HZ3 TRP 19 27.822 -4.028 -10.145 164 HH2 TRP 19 HH2 TRP 19 27.847 -6.510 -10.166 165 H VAL 20 HN VAL 20 26.739 -0.616 -4.565 166 HA VAL 20 HA VAL 20 24.726 1.481 -4.080 167 HB VAL 20 HB VAL 20 27.308 1.209 -2.527 168 HG11 VAL 20 HG11 VAL 20 26.213 3.209 -1.308 169 HG12 VAL 20 HG12 VAL 20 25.200 3.365 -2.739 170 HG13 VAL 20 HG13 VAL 20 26.952 3.528 -2.875 171 HG21 VAL 20 HG21 VAL 20 25.817 0.933 -0.597 172 HG22 VAL 20 HG22 VAL 20 25.484 -0.316 -1.796 173 HG23 VAL 20 HG23 VAL 20 24.407 1.074 -1.646 174 H GLN 21 HN GLN 21 25.082 3.324 -5.143 175 HA GLN 21 HA GLN 21 27.626 3.998 -6.267 176 HB2 GLN 21 HB2 GLN 21 26.746 4.043 -8.632 177 HB3 GLN 21 HB1 GLN 21 27.109 2.466 -7.955 178 HG2 GLN 21 HG2 GLN 21 25.007 2.488 -9.263 179 HG3 GLN 21 HG1 GLN 21 24.754 2.007 -7.601 180 HE21 GLN 21 HE21 GLN 21 23.528 3.939 -10.044 181 HE22 GLN 21 HE22 GLN 21 22.642 5.036 -9.099 182 H VAL 22 HN VAL 22 26.777 5.564 -4.573 183 HA VAL 22 HA VAL 22 24.742 7.381 -5.366 184 HB VAL 22 HB VAL 22 25.616 8.768 -3.404 185 HG11 VAL 22 HG11 VAL 22 23.949 6.905 -3.148 186 HG12 VAL 22 HG12 VAL 22 24.981 7.103 -1.732 187 HG13 VAL 22 HG13 VAL 22 25.289 5.791 -2.871 188 HG21 VAL 22 HG21 VAL 22 28.011 7.883 -3.843 189 HG22 VAL 22 HG22 VAL 22 27.503 6.437 -2.981 190 HG23 VAL 22 HG23 VAL 22 27.488 8.002 -2.166 191 HA DPR 23 HA PRO 23 27.542 11.017 -6.450 192 HB2 DPR 23 HB2 PRO 23 25.950 12.615 -6.753 193 HB3 DPR 23 HB1 PRO 23 25.545 11.879 -8.314 194 HG2 DPR 23 HG2 PRO 23 23.827 11.976 -6.206 195 HG3 DPR 23 HG1 PRO 23 23.776 10.724 -7.456 196 HD2 DPR 23 HD2 PRO 23 24.882 10.569 -4.671 197 HD3 DPR 23 HD1 PRO 23 23.996 9.351 -5.609 198 HAC 4G6 24 HAC 4G6 24 30.916 10.511 -8.709 199 HAB 4G6 24 HAB 4G6 24 31.376 9.335 -9.964 200 HAA 4G6 24 HAA 4G6 24 30.558 10.849 -10.420 201 HAF 4G6 24 HAF 4G6 24 27.925 10.502 -10.766 202 HAD 4G6 24 HAD 4G6 24 27.801 8.735 -10.956 203 HAE 4G6 24 HAE 4G6 24 29.184 9.614 -11.655 204 HAL 4G6 24 HAL 4G6 24 29.069 10.301 -7.598 205 HAH 4G6 24 HAH 4G6 24 30.411 7.577 -9.815 206 HAG 4G6 24 HAG 4G6 24 28.656 7.330 -9.683 207 HAI 4G6 24 HAI 4G6 24 28.923 7.139 -7.356 208 H LYS 25 HN LYS 25 32.476 6.283 -5.633 209 HA LYS 25 HA LYS 25 29.873 7.592 -5.314 210 HB2 LYS 25 HB2 LYS 25 31.826 8.458 -4.013 211 HB3 LYS 25 HB1 LYS 25 32.682 8.706 -5.512 212 HG2 LYS 25 HG2 LYS 25 31.742 10.826 -4.730 213 HG3 LYS 25 HG1 LYS 25 31.019 10.341 -6.254 214 HD2 LYS 25 HD2 LYS 25 29.337 11.250 -4.713 215 HD3 LYS 25 HD1 LYS 25 28.989 9.581 -5.078 216 HE2 LYS 25 HE2 LYS 25 30.372 10.572 -2.565 217 HE3 LYS 25 HE1 LYS 25 28.674 10.141 -2.668 218 HZ1 LYS 25 HZ1 LYS 25 29.371 8.153 -2.004 219 HZ2 LYS 25 HZ2 LYS 25 30.993 8.460 -2.396 220 HZ3 LYS 25 HZ3 LYS 25 29.913 7.926 -3.591 221 H GLU 26 HN GLU 26 30.253 2.444 -5.355 222 HA GLU 26 HA GLU 26 32.438 4.161 -4.375 223 HB2 GLU 26 HB2 GLU 26 31.687 3.484 -7.223 224 HB3 GLU 26 HB1 GLU 26 32.988 4.567 -6.737 225 HG2 GLU 26 HG2 GLU 26 33.896 2.351 -7.249 226 HG3 GLU 26 HG1 GLU 26 34.078 2.690 -5.532 227 H PHE 27 HN PHE 27 31.712 -0.403 -3.705 228 HA PHE 27 HA PHE 27 29.239 1.180 -3.781 229 HB2 PHE 27 HB2 PHE 27 29.472 1.801 -1.418 230 HB3 PHE 27 HB1 PHE 27 29.160 0.090 -1.628 231 HD1 PHE 27 HD1 PHE 27 29.975 0.579 0.889 232 HD2 PHE 27 HD2 PHE 27 32.586 0.434 -2.528 233 HE1 PHE 27 HE1 PHE 27 31.889 0.055 2.349 234 HE2 PHE 27 HE2 PHE 27 34.472 -0.082 -1.060 235 HZ PHE 27 HZ PHE 27 34.121 -0.270 1.368 236 H LYS 28 HN LYS 28 31.242 -4.262 -4.001 237 HA LYS 28 HA LYS 28 31.805 -2.178 -4.965 238 HB2 LYS 28 HB2 LYS 28 29.215 -3.036 -6.267 239 HB3 LYS 28 HB1 LYS 28 30.402 -1.936 -6.972 240 HG2 LYS 28 HG2 LYS 28 32.120 -3.702 -6.845 241 HG3 LYS 28 HG1 LYS 28 30.934 -4.804 -6.149 242 HD2 LYS 28 HD2 LYS 28 29.557 -4.616 -8.186 243 HD3 LYS 28 HD1 LYS 28 30.747 -3.518 -8.888 244 HE2 LYS 28 HE2 LYS 28 31.112 -5.813 -9.703 245 HE3 LYS 28 HE1 LYS 28 32.469 -5.281 -8.709 246 HZ1 LYS 28 HZ1 LYS 28 31.634 -6.493 -6.862 247 HZ2 LYS 28 HZ2 LYS 28 31.647 -7.550 -8.192 248 HZ3 LYS 28 HZ3 LYS 28 30.186 -6.860 -7.666 249 H HIS 29 HN HIS 29 31.201 -6.223 -2.358 250 HA HIS 29 HA HIS 29 28.523 -5.411 -2.476 251 HB2 HIS 29 HB2 HIS 29 29.791 -5.593 -0.380 252 HB3 HIS 29 HB1 HIS 29 30.798 -4.235 -0.879 253 HD2 HIS 29 HD2 HIS 29 27.676 -4.777 1.134 254 HE1 HIS 29 HE1 HIS 29 27.320 -0.839 -0.340 255 HE2 HIS 29 HE2 HIS 29 26.380 -2.513 1.320 256 H1 ACE 30 HA2 ACE 30 32.288 -6.906 -4.909 257 H2 ACE 30 HA3 ACE 30 31.026 -8.037 -5.398 258 H3 ACE 30 HA1 ACE 30 31.654 -8.076 -3.751 Start of MODEL 7 1 HN1 NH2 0 H1 THR 1 28.370 -6.048 9.059 2 HN2 NH2 0 H2 THR 1 28.880 -6.444 7.489 3 H THR 1 HN THR 1 24.044 -5.991 7.802 4 HA THR 1 HA THR 1 26.230 -5.939 9.721 5 HB THR 1 HB THR 1 26.084 -8.396 9.538 6 HG1 THR 1 HG1 THR 1 23.773 -8.663 8.350 7 HG21 THR 1 HG21 THR 1 24.388 -6.749 10.926 8 HG22 THR 1 HG22 THR 1 24.375 -8.506 11.062 9 HG23 THR 1 HG23 THR 1 23.241 -7.702 9.983 10 H GLU 2 HN GLU 2 23.081 -3.069 5.909 11 HA GLU 2 HA GLU 2 23.324 -2.623 8.532 12 HB2 GLU 2 HB2 GLU 2 21.437 -3.843 7.544 13 HB3 GLU 2 HB1 GLU 2 22.458 -5.260 7.323 14 HG2 GLU 2 HG2 GLU 2 21.066 -5.484 9.343 15 HG3 GLU 2 HG1 GLU 2 22.771 -5.419 9.771 16 H ILE 3 HN ILE 3 26.949 -1.101 4.616 17 HA ILE 3 HA ILE 3 24.181 -2.078 4.352 18 HB ILE 3 HB ILE 3 25.144 -4.322 4.020 19 HG12 ILE 3 HG12 ILE 3 27.563 -4.569 3.450 20 HG13 ILE 3 HG11 ILE 3 27.867 -2.939 3.989 21 HG21 ILE 3 HG21 ILE 3 24.640 -3.295 1.983 22 HG22 ILE 3 HG22 ILE 3 26.355 -3.638 1.755 23 HG23 ILE 3 HG23 ILE 3 25.832 -2.018 2.220 24 HD11 ILE 3 HD11 ILE 3 26.529 -4.691 5.974 25 HD12 ILE 3 HD12 ILE 3 27.864 -3.549 6.186 26 HD13 ILE 3 HD13 ILE 3 28.167 -5.148 5.531 27 H ARG 4 HN ARG 4 24.592 2.536 4.242 28 HA ARG 4 HA ARG 4 26.978 1.148 3.396 29 HB2 ARG 4 HB2 ARG 4 27.795 0.632 5.644 30 HB3 ARG 4 HB1 ARG 4 27.819 2.371 5.366 31 HG2 ARG 4 HG2 ARG 4 25.680 2.591 6.575 32 HG3 ARG 4 HG1 ARG 4 25.687 0.851 6.880 33 HD2 ARG 4 HD2 ARG 4 27.847 1.065 8.055 34 HD3 ARG 4 HD1 ARG 4 27.839 2.798 7.754 35 HE ARG 4 HE ARG 4 26.459 3.008 9.577 36 HH11 ARG 4 HH11 ARG 4 24.993 2.282 11.160 37 HH12 ARG 4 HH12 ARG 4 24.418 0.650 11.111 38 HH21 ARG 4 HH21 ARG 4 26.249 -0.192 8.289 39 HH22 ARG 4 HH22 ARG 4 25.126 -0.752 9.484 40 H VAL 5 HN VAL 5 26.932 5.843 2.819 41 HA VAL 5 HA VAL 5 24.569 4.957 4.023 42 HB VAL 5 HB VAL 5 23.585 5.233 1.729 43 HG11 VAL 5 HG11 VAL 5 24.398 4.078 -0.132 44 HG12 VAL 5 HG12 VAL 5 25.342 2.962 0.852 45 HG13 VAL 5 HG13 VAL 5 25.875 4.632 0.664 46 HG21 VAL 5 HG21 VAL 5 22.420 3.187 1.768 47 HG22 VAL 5 HG22 VAL 5 22.979 3.351 3.432 48 HG23 VAL 5 HG23 VAL 5 23.832 2.285 2.315 49 H8 4FU 6 HAM 4FU 6 26.722 10.281 2.712 50 H9 4FU 6 HAI 4FU 6 23.867 9.238 2.581 51 HAI 4FU 6 HAJ 4FU 6 24.370 10.922 2.831 52 H112 4FU 6 HAE 4FU 6 25.456 10.972 0.639 53 H111 4FU 6 HAF 4FU 6 23.746 10.508 0.481 54 HAG 4FU 6 HAG 4FU 6 24.397 8.126 0.365 55 H12 4FU 6 HAH 4FU 6 25.203 9.077 -0.904 56 HAL 4FU 6 HAL 4FU 6 27.222 9.244 0.498 57 HAK 4FU 6 HAK 4FU 6 26.806 7.543 0.203 58 H14 4FU 6 HAN 4FU 6 27.390 7.927 2.566 59 H GLY 7 HN GLY 7 24.396 8.044 4.066 60 HA2 GLY 7 HA2 GLY 7 25.287 7.267 6.448 61 HA3 GLY 7 HA1 GLY 7 24.919 8.955 6.788 62 H VAL 8 HN VAL 8 22.995 7.697 4.373 63 HA VAL 8 HA VAL 8 20.550 8.115 5.613 64 HB VAL 8 HB VAL 8 19.570 6.779 3.819 65 HG11 VAL 8 HG11 VAL 8 20.834 7.888 1.871 66 HG12 VAL 8 HG12 VAL 8 21.910 8.552 3.101 67 HG13 VAL 8 HG13 VAL 8 20.194 8.960 3.117 68 HG21 VAL 8 HG21 VAL 8 22.391 5.741 3.620 69 HG22 VAL 8 HG22 VAL 8 21.357 5.745 2.189 70 HG23 VAL 8 HG23 VAL 8 20.873 4.843 3.624 71 H THR 9 HN THR 9 18.967 5.911 5.408 72 HA THR 9 HA THR 9 19.063 4.693 7.843 73 HB THR 9 HB THR 9 17.173 4.448 6.268 74 HG1 THR 9 HG1 THR 9 16.750 2.829 7.514 75 HG21 THR 9 HG21 THR 9 17.277 2.969 4.404 76 HG22 THR 9 HG22 THR 9 18.829 2.317 4.928 77 HG23 THR 9 HG23 THR 9 18.732 3.963 4.300 78 H ILE 10 HN ILE 10 19.460 2.360 8.331 79 HA ILE 10 HA ILE 10 22.180 1.615 7.463 80 HB ILE 10 HB ILE 10 20.544 0.841 9.885 81 HG12 ILE 10 HG12 ILE 10 22.990 2.618 9.586 82 HG13 ILE 10 HG11 ILE 10 21.343 3.200 9.817 83 HG21 ILE 10 HG21 ILE 10 22.830 -0.064 10.625 84 HG22 ILE 10 HG22 ILE 10 23.297 0.055 8.929 85 HG23 ILE 10 HG23 ILE 10 21.958 -0.985 9.406 86 HD11 ILE 10 HD11 ILE 10 21.214 2.110 11.993 87 HD12 ILE 10 HD12 ILE 10 22.657 3.123 11.945 88 HD13 ILE 10 HD13 ILE 10 22.799 1.376 11.755 89 H ARG 11 HN ARG 11 18.977 0.231 8.027 90 HA ARG 11 HA ARG 11 19.607 -2.403 7.283 91 HB2 ARG 11 HB2 ARG 11 17.150 -2.685 7.242 92 HB3 ARG 11 HB1 ARG 11 17.709 -1.850 8.693 93 HG2 ARG 11 HG2 ARG 11 17.193 0.326 7.628 94 HG3 ARG 11 HG1 ARG 11 16.590 -0.524 6.205 95 HD2 ARG 11 HD2 ARG 11 15.498 -0.806 9.014 96 HD3 ARG 11 HD1 ARG 11 14.749 0.113 7.713 97 HE ARG 11 HE ARG 11 15.140 -2.509 6.793 98 HH11 ARG 11 HH11 ARG 11 13.367 -3.940 6.820 99 HH12 ARG 11 HH12 ARG 11 12.035 -3.634 7.885 100 HH21 ARG 11 HH21 ARG 11 13.444 -0.746 9.210 101 HH22 ARG 11 HH22 ARG 11 12.077 -1.814 9.247 102 H MET 12 HN MET 12 20.686 -0.808 5.281 103 HA MET 12 HA MET 12 18.920 -1.216 2.935 104 HB2 MET 12 HB2 MET 12 19.876 1.059 3.281 105 HB3 MET 12 HB1 MET 12 21.492 0.378 3.209 106 HG2 MET 12 HG2 MET 12 19.463 0.261 0.956 107 HG3 MET 12 HG1 MET 12 20.779 1.421 1.058 108 HE1 MET 12 HE1 MET 12 21.292 0.808 -1.255 109 HE2 MET 12 HE2 MET 12 20.284 -0.617 -1.491 110 HE3 MET 12 HE3 MET 12 22.010 -0.702 -1.832 111 H ARG 13 HN ARG 13 19.250 -3.050 1.836 112 HA ARG 13 HA ARG 13 21.885 -4.390 1.994 113 HB2 ARG 13 HB2 ARG 13 19.906 -5.594 2.905 114 HB3 ARG 13 HB1 ARG 13 19.177 -5.534 1.309 115 HG2 ARG 13 HG2 ARG 13 21.085 -6.844 0.389 116 HG3 ARG 13 HG1 ARG 13 21.808 -6.891 1.990 117 HD2 ARG 13 HD2 ARG 13 19.080 -7.993 1.295 118 HD3 ARG 13 HD1 ARG 13 20.540 -8.962 1.440 119 HE ARG 13 HE ARG 13 20.229 -7.534 3.838 120 HH11 ARG 13 HH11 ARG 13 19.336 -8.586 5.639 121 HH12 ARG 13 HH12 ARG 13 18.351 -9.992 5.413 122 HH21 ARG 13 HH21 ARG 13 18.631 -9.958 1.957 123 HH22 ARG 13 HH22 ARG 13 17.952 -10.769 3.329 124 H DAL 14 HN ALA 14 19.911 -5.654 -0.302 125 HA DAL 14 HA ALA 14 21.588 -4.809 -2.471 126 HB1 DAL 14 HB1 ALA 14 18.688 -4.008 -2.653 127 HB2 DAL 14 HB2 ALA 14 19.999 -3.599 -3.759 128 HB3 DAL 14 HB3 ALA 14 19.952 -2.887 -2.146 129 H SER 15 HN SER 15 19.609 -5.308 -4.490 130 HA SER 15 HA SER 15 18.297 -7.766 -4.134 131 HB2 SER 15 HB2 SER 15 17.742 -6.255 -5.978 132 HB3 SER 15 HB1 SER 15 19.339 -6.512 -6.676 133 HG SER 15 HG SER 15 17.189 -8.323 -6.388 134 H HIS 16 HN HIS 16 21.443 -6.965 -5.450 135 HA HIS 16 HA HIS 16 22.212 -9.631 -6.063 136 HB2 HIS 16 HB2 HIS 16 23.899 -7.170 -5.604 137 HB3 HIS 16 HB1 HIS 16 24.490 -8.686 -6.281 138 HD2 HIS 16 HD2 HIS 16 24.435 -8.578 -9.033 139 HE1 HIS 16 HE1 HIS 16 21.182 -5.924 -9.481 140 HE2 HIS 16 HE2 HIS 16 22.931 -7.277 -10.728 141 H DAL 17 HN ALA 17 22.654 -7.540 -3.348 142 HA DAL 17 HA ALA 17 24.359 -9.334 -1.874 143 HB1 DAL 17 HB1 ALA 17 21.440 -9.068 -1.111 144 HB2 DAL 17 HB2 ALA 17 22.685 -9.724 -0.047 145 HB3 DAL 17 HB3 ALA 17 22.289 -10.549 -1.555 146 H PHE 18 HN PHE 18 25.406 -8.239 -0.255 147 HA PHE 18 HA PHE 18 24.334 -5.626 0.572 148 HB2 PHE 18 HB2 PHE 18 25.890 -5.791 2.462 149 HB3 PHE 18 HB1 PHE 18 24.732 -7.096 2.420 150 HD1 PHE 18 HD1 PHE 18 26.736 -7.612 4.158 151 HD2 PHE 18 HD2 PHE 18 27.042 -8.011 -0.109 152 HE1 PHE 18 HE1 PHE 18 28.564 -9.248 4.427 153 HE2 PHE 18 HE2 PHE 18 28.865 -9.623 0.169 154 HZ PHE 18 HZ PHE 18 29.626 -10.244 2.434 155 H TRP 19 HN TRP 19 25.081 -3.872 -0.363 156 HA TRP 19 HA TRP 19 27.966 -3.661 -0.950 157 HB2 TRP 19 HB2 TRP 19 25.823 -3.009 -2.961 158 HB3 TRP 19 HB1 TRP 19 27.567 -2.825 -3.153 159 HD1 TRP 19 HD1 TRP 19 25.105 -5.725 -2.345 160 HE1 TRP 19 HE1 TRP 19 25.974 -7.833 -3.554 161 HE3 TRP 19 HE3 TRP 19 29.305 -3.811 -4.480 162 HZ2 TRP 19 HZ2 TRP 19 28.176 -8.603 -5.214 163 HZ3 TRP 19 HZ3 TRP 19 30.776 -5.251 -5.868 164 HH2 TRP 19 HH2 TRP 19 30.217 -7.637 -6.240 165 H VAL 20 HN VAL 20 28.290 -1.326 -2.049 166 HA VAL 20 HA VAL 20 26.584 0.652 -0.632 167 HB VAL 20 HB VAL 20 28.612 0.392 0.714 168 HG11 VAL 20 HG11 VAL 20 30.237 1.286 -1.671 169 HG12 VAL 20 HG12 VAL 20 29.986 -0.420 -1.303 170 HG13 VAL 20 HG13 VAL 20 30.804 0.619 -0.141 171 HG21 VAL 20 HG21 VAL 20 29.222 2.693 0.814 172 HG22 VAL 20 HG22 VAL 20 27.564 2.678 0.218 173 HG23 VAL 20 HG23 VAL 20 28.899 2.932 -0.903 174 H GLN 21 HN GLN 21 25.630 1.803 -2.185 175 HA GLN 21 HA GLN 21 27.245 2.742 -4.482 176 HB2 GLN 21 HB2 GLN 21 25.429 2.141 -6.008 177 HB3 GLN 21 HB1 GLN 21 25.998 0.728 -5.152 178 HG2 GLN 21 HG2 GLN 21 23.509 2.295 -4.480 179 HG3 GLN 21 HG1 GLN 21 23.569 0.744 -5.295 180 HE21 GLN 21 HE21 GLN 21 23.214 2.140 -2.298 181 HE22 GLN 21 HE22 GLN 21 23.622 0.808 -1.333 182 H VAL 22 HN VAL 22 27.094 4.929 -4.702 183 HA VAL 22 HA VAL 22 24.537 6.248 -4.192 184 HB VAL 22 HB VAL 22 25.621 7.873 -2.569 185 HG11 VAL 22 HG11 VAL 22 25.911 5.022 -1.608 186 HG12 VAL 22 HG12 VAL 22 24.327 5.738 -1.913 187 HG13 VAL 22 HG13 VAL 22 25.383 6.429 -0.700 188 HG21 VAL 22 HG21 VAL 22 27.780 7.141 -1.577 189 HG22 VAL 22 HG22 VAL 22 27.942 7.507 -3.289 190 HG23 VAL 22 HG23 VAL 22 27.862 5.831 -2.749 191 HA DPR 23 HA PRO 23 26.309 10.270 -5.748 192 HB2 DPR 23 HB2 PRO 23 24.595 11.122 -7.101 193 HB3 DPR 23 HB1 PRO 23 24.106 9.502 -7.649 194 HG2 DPR 23 HG2 PRO 23 23.666 10.808 -4.992 195 HG3 DPR 23 HG1 PRO 23 22.531 9.869 -5.980 196 HD2 DPR 23 HD2 PRO 23 23.962 8.812 -3.845 197 HD3 DPR 23 HD1 PRO 23 23.323 7.848 -5.196 198 HAC 4G6 24 HAC 4G6 24 29.961 7.329 -7.315 199 HAB 4G6 24 HAB 4G6 24 31.075 8.374 -8.230 200 HAA 4G6 24 HAA 4G6 24 30.421 8.921 -6.668 201 HAF 4G6 24 HAF 4G6 24 28.718 11.035 -8.923 202 HAD 4G6 24 HAD 4G6 24 29.725 10.066 -10.028 203 HAE 4G6 24 HAE 4G6 24 30.394 10.640 -8.482 204 HAL 4G6 24 HAL 4G6 24 28.241 9.803 -6.487 205 HAH 4G6 24 HAH 4G6 24 29.341 7.835 -10.078 206 HAG 4G6 24 HAG 4G6 24 27.694 8.478 -9.908 207 HAI 4G6 24 HAI 4G6 24 27.602 6.725 -7.920 208 H LYS 25 HN LYS 25 29.345 2.832 -8.668 209 HA LYS 25 HA LYS 25 27.466 3.732 -9.545 210 HB2 LYS 25 HB2 LYS 25 26.498 3.693 -7.251 211 HB3 LYS 25 HB1 LYS 25 27.181 5.260 -6.958 212 HG2 LYS 25 HG2 LYS 25 24.824 5.480 -7.526 213 HG3 LYS 25 HG1 LYS 25 25.835 6.245 -8.728 214 HD2 LYS 25 HD2 LYS 25 23.974 5.039 -9.760 215 HD3 LYS 25 HD1 LYS 25 25.501 4.367 -10.267 216 HE2 LYS 25 HE2 LYS 25 23.733 3.199 -8.097 217 HE3 LYS 25 HE1 LYS 25 23.761 2.644 -9.763 218 HZ1 LYS 25 HZ1 LYS 25 26.381 2.687 -8.661 219 HZ2 LYS 25 HZ2 LYS 25 25.522 1.403 -9.348 220 HZ3 LYS 25 HZ3 LYS 25 25.341 1.759 -7.702 221 H GLU 26 HN GLU 26 29.959 1.373 -7.644 222 HA GLU 26 HA GLU 26 30.974 3.221 -5.583 223 HB2 GLU 26 HB2 GLU 26 31.741 3.185 -8.515 224 HB3 GLU 26 HB1 GLU 26 32.247 4.392 -7.339 225 HG2 GLU 26 HG2 GLU 26 34.027 2.742 -7.661 226 HG3 GLU 26 HG1 GLU 26 33.385 2.622 -6.027 227 H PHE 27 HN PHE 27 31.344 -2.200 -6.233 228 HA PHE 27 HA PHE 27 29.872 -0.744 -7.194 229 HB2 PHE 27 HB2 PHE 27 28.572 -0.709 -4.495 230 HB3 PHE 27 HB1 PHE 27 27.938 0.037 -5.935 231 HD1 PHE 27 HD1 PHE 27 26.143 -1.524 -4.681 232 HD2 PHE 27 HD2 PHE 27 29.314 -2.921 -7.206 233 HE1 PHE 27 HE1 PHE 27 24.879 -3.575 -5.084 234 HE2 PHE 27 HE2 PHE 27 28.033 -4.984 -7.648 235 HZ PHE 27 HZ PHE 27 25.823 -5.306 -6.592 236 H LYS 28 HN LYS 28 30.991 -4.615 -4.023 237 HA LYS 28 HA LYS 28 32.750 -2.437 -3.201 238 HB2 LYS 28 HB2 LYS 28 32.348 -3.569 -5.958 239 HB3 LYS 28 HB1 LYS 28 33.452 -2.272 -5.531 240 HG2 LYS 28 HG2 LYS 28 33.611 -5.123 -4.504 241 HG3 LYS 28 HG1 LYS 28 34.613 -4.450 -5.783 242 HD2 LYS 28 HD2 LYS 28 35.524 -2.790 -4.159 243 HD3 LYS 28 HD1 LYS 28 34.572 -3.546 -2.884 244 HE2 LYS 28 HE2 LYS 28 35.705 -5.686 -3.270 245 HE3 LYS 28 HE1 LYS 28 36.678 -4.941 -4.541 246 HZ1 LYS 28 HZ1 LYS 28 37.295 -5.027 -1.883 247 HZ2 LYS 28 HZ2 LYS 28 36.733 -3.440 -2.112 248 HZ3 LYS 28 HZ3 LYS 28 38.022 -4.030 -3.047 249 H HIS 29 HN HIS 29 31.048 -7.630 -2.739 250 HA HIS 29 HA HIS 29 29.939 -5.723 -2.048 251 HB2 HIS 29 HB2 HIS 29 30.610 -6.912 0.027 252 HB3 HIS 29 HB1 HIS 29 32.080 -5.939 0.081 253 HD2 HIS 29 HD2 HIS 29 28.649 -5.796 1.541 254 HE1 HIS 29 HE1 HIS 29 29.812 -1.744 1.199 255 HE2 HIS 29 HE2 HIS 29 28.123 -3.329 2.245 256 H1 ACE 30 HA2 ACE 30 32.768 -8.565 -3.963 257 H2 ACE 30 HA3 ACE 30 33.614 -9.018 -2.483 258 H3 ACE 30 HA1 ACE 30 34.417 -8.007 -3.684 Start of MODEL 8 1 HN1 NH2 0 H1 THR 1 25.608 -2.826 11.558 2 HN2 NH2 0 H2 THR 1 24.441 -3.999 11.180 3 H THR 1 HN THR 1 27.185 -1.127 9.541 4 HA THR 1 HA THR 1 27.911 -3.843 9.001 5 HB THR 1 HB THR 1 27.526 -2.395 11.629 6 HG1 THR 1 HG1 THR 1 29.306 -1.502 10.995 7 HG21 THR 1 HG21 THR 1 29.038 -4.262 12.447 8 HG22 THR 1 HG22 THR 1 28.732 -5.076 10.912 9 HG23 THR 1 HG23 THR 1 27.400 -4.758 12.023 10 H GLU 2 HN GLU 2 24.944 -0.158 5.826 11 HA GLU 2 HA GLU 2 27.486 0.006 7.063 12 HB2 GLU 2 HB2 GLU 2 24.759 -0.146 8.352 13 HB3 GLU 2 HB1 GLU 2 26.236 0.409 9.127 14 HG2 GLU 2 HG2 GLU 2 24.919 1.722 6.730 15 HG3 GLU 2 HG1 GLU 2 24.807 2.298 8.387 16 H ILE 3 HN ILE 3 26.752 0.411 2.355 17 HA ILE 3 HA ILE 3 24.627 -1.086 3.762 18 HB ILE 3 HB ILE 3 25.444 -2.175 1.748 19 HG12 ILE 3 HG12 ILE 3 26.176 -4.326 2.739 20 HG13 ILE 3 HG11 ILE 3 26.497 -3.516 4.266 21 HG21 ILE 3 HG21 ILE 3 27.817 -0.999 2.100 22 HG22 ILE 3 HG22 ILE 3 27.671 -2.502 1.190 23 HG23 ILE 3 HG23 ILE 3 28.202 -2.536 2.874 24 HD11 ILE 3 HD11 ILE 3 23.773 -3.260 3.014 25 HD12 ILE 3 HD12 ILE 3 24.231 -3.179 4.716 26 HD13 ILE 3 HD13 ILE 3 24.194 -4.734 3.888 27 H ARG 4 HN ARG 4 23.865 3.917 2.476 28 HA ARG 4 HA ARG 4 25.825 2.225 1.092 29 HB2 ARG 4 HB2 ARG 4 25.908 3.605 3.791 30 HB3 ARG 4 HB1 ARG 4 27.173 2.548 3.203 31 HG2 ARG 4 HG2 ARG 4 27.782 4.896 2.923 32 HG3 ARG 4 HG1 ARG 4 27.645 4.098 1.378 33 HD2 ARG 4 HD2 ARG 4 25.513 5.865 2.600 34 HD3 ARG 4 HD1 ARG 4 26.688 6.405 1.411 35 HE ARG 4 HE ARG 4 24.280 5.070 0.856 36 HH11 ARG 4 HH11 ARG 4 23.926 4.202 -1.214 37 HH12 ARG 4 HH12 ARG 4 25.269 3.935 -2.274 38 HH21 ARG 4 HH21 ARG 4 27.623 5.131 -0.039 39 HH22 ARG 4 HH22 ARG 4 27.358 4.437 -1.599 40 H VAL 5 HN VAL 5 22.834 5.267 -1.103 41 HA VAL 5 HA VAL 5 21.904 4.317 1.555 42 HB VAL 5 HB VAL 5 20.915 2.381 0.381 43 HG11 VAL 5 HG11 VAL 5 20.064 5.202 -0.273 44 HG12 VAL 5 HG12 VAL 5 19.345 4.061 0.861 45 HG13 VAL 5 HG13 VAL 5 19.130 3.830 -0.873 46 HG21 VAL 5 HG21 VAL 5 22.107 3.798 -1.997 47 HG22 VAL 5 HG22 VAL 5 20.579 2.947 -2.217 48 HG23 VAL 5 HG23 VAL 5 21.998 2.068 -1.665 49 H8 4FU 6 HAM 4FU 6 21.741 9.612 -1.059 50 H9 4FU 6 HAI 4FU 6 19.943 7.303 -0.259 51 HAI 4FU 6 HAJ 4FU 6 19.392 8.900 -0.817 52 H112 4FU 6 HAE 4FU 6 20.545 8.584 -2.960 53 H111 4FU 6 HAF 4FU 6 19.395 7.261 -2.662 54 HAG 4FU 6 HAG 4FU 6 21.227 5.811 -1.895 55 H12 4FU 6 HAH 4FU 6 21.570 6.440 -3.521 56 HAL 4FU 6 HAL 4FU 6 23.002 8.188 -2.568 57 HAK 4FU 6 HAK 4FU 6 23.563 6.583 -2.048 58 H14 4FU 6 HAN 4FU 6 23.535 8.164 -0.149 59 H GLY 7 HN GLY 7 20.420 7.664 1.517 60 HA2 GLY 7 HA2 GLY 7 21.520 9.194 3.660 61 HA3 GLY 7 HA1 GLY 7 19.882 9.700 3.310 62 H VAL 8 HN VAL 8 21.811 6.847 3.990 63 HA VAL 8 HA VAL 8 19.472 5.569 5.312 64 HB VAL 8 HB VAL 8 20.416 4.366 3.364 65 HG11 VAL 8 HG11 VAL 8 22.744 5.143 3.523 66 HG12 VAL 8 HG12 VAL 8 22.662 3.377 3.561 67 HG13 VAL 8 HG13 VAL 8 22.941 4.266 5.044 68 HG21 VAL 8 HG21 VAL 8 20.661 2.214 4.458 69 HG22 VAL 8 HG22 VAL 8 19.416 3.148 5.278 70 HG23 VAL 8 HG23 VAL 8 21.024 3.002 5.983 71 H THR 9 HN THR 9 19.729 4.780 7.444 72 HA THR 9 HA THR 9 22.233 5.592 8.800 73 HB THR 9 HB THR 9 20.363 6.913 9.556 74 HG1 THR 9 HG1 THR 9 21.265 6.728 11.411 75 HG21 THR 9 HG21 THR 9 18.700 4.978 8.956 76 HG22 THR 9 HG22 THR 9 18.324 6.054 10.303 77 HG23 THR 9 HG23 THR 9 18.998 4.458 10.615 78 H ILE 10 HN ILE 10 21.129 2.937 7.614 79 HA ILE 10 HA ILE 10 22.537 1.287 9.522 80 HB ILE 10 HB ILE 10 20.794 -0.404 9.791 81 HG12 ILE 10 HG12 ILE 10 19.467 0.048 7.772 82 HG13 ILE 10 HG11 ILE 10 18.452 0.099 9.209 83 HG21 ILE 10 HG21 ILE 10 21.147 1.454 11.426 84 HG22 ILE 10 HG22 ILE 10 19.554 0.705 11.476 85 HG23 ILE 10 HG23 ILE 10 19.766 2.271 10.699 86 HD11 ILE 10 HD11 ILE 10 17.738 2.013 8.128 87 HD12 ILE 10 HD12 ILE 10 19.314 2.324 7.416 88 HD13 ILE 10 HD13 ILE 10 19.031 2.692 9.107 89 H ARG 11 HN ARG 11 21.272 -1.154 8.376 90 HA ARG 11 HA ARG 11 22.992 -1.337 6.087 91 HB2 ARG 11 HB2 ARG 11 22.346 -3.754 6.105 92 HB3 ARG 11 HB1 ARG 11 23.156 -3.160 7.541 93 HG2 ARG 11 HG2 ARG 11 21.325 -4.663 8.155 94 HG3 ARG 11 HG1 ARG 11 20.990 -3.039 8.721 95 HD2 ARG 11 HD2 ARG 11 19.820 -4.241 6.200 96 HD3 ARG 11 HD1 ARG 11 19.005 -4.218 7.756 97 HE ARG 11 HE ARG 11 19.757 -1.589 7.100 98 HH11 ARG 11 HH11 ARG 11 18.192 -0.185 6.238 99 HH12 ARG 11 HH12 ARG 11 16.762 -0.835 5.508 100 HH21 ARG 11 HH21 ARG 11 17.655 -4.138 6.074 101 HH22 ARG 11 HH22 ARG 11 16.458 -3.074 5.415 102 H MET 12 HN MET 12 22.010 -3.047 4.366 103 HA MET 12 HA MET 12 19.467 -1.922 3.340 104 HB2 MET 12 HB2 MET 12 21.992 -2.425 1.737 105 HB3 MET 12 HB1 MET 12 20.440 -1.938 1.066 106 HG2 MET 12 HG2 MET 12 22.083 -0.337 3.052 107 HG3 MET 12 HG1 MET 12 21.944 0.003 1.330 108 HE1 MET 12 HE1 MET 12 18.516 -0.588 0.939 109 HE2 MET 12 HE2 MET 12 19.898 0.157 0.139 110 HE3 MET 12 HE3 MET 12 18.539 1.157 0.643 111 H ARG 13 HN ARG 13 18.161 -3.367 2.251 112 HA ARG 13 HA ARG 13 18.720 -6.172 2.731 113 HB2 ARG 13 HB2 ARG 13 16.460 -6.559 1.878 114 HB3 ARG 13 HB1 ARG 13 16.461 -5.292 3.103 115 HG2 ARG 13 HG2 ARG 13 16.498 -3.580 1.316 116 HG3 ARG 13 HG1 ARG 13 16.474 -4.859 0.105 117 HD2 ARG 13 HD2 ARG 13 14.211 -3.993 0.418 118 HD3 ARG 13 HD1 ARG 13 14.304 -5.652 0.992 119 HE ARG 13 HE ARG 13 14.782 -3.882 3.157 120 HH11 ARG 13 HH11 ARG 13 13.096 -3.466 4.616 121 HH12 ARG 13 HH12 ARG 13 11.460 -3.803 4.157 122 HH21 ARG 13 HH21 ARG 13 12.305 -4.966 1.002 123 HH22 ARG 13 HH22 ARG 13 11.012 -4.651 2.111 124 H DAL 14 HN ALA 14 18.120 -7.715 0.893 125 HA DAL 14 HA ALA 14 20.001 -7.434 -1.202 126 HB1 DAL 14 HB1 ALA 14 18.329 -5.815 -2.063 127 HB2 DAL 14 HB2 ALA 14 17.110 -7.087 -2.029 128 HB3 DAL 14 HB3 ALA 14 18.493 -7.220 -3.114 129 H SER 15 HN SER 15 18.652 -9.007 -3.143 130 HA SER 15 HA SER 15 17.396 -11.276 -2.074 131 HB2 SER 15 HB2 SER 15 17.299 -10.736 -4.459 132 HB3 SER 15 HB1 SER 15 19.032 -11.014 -4.598 133 HG SER 15 HG SER 15 17.209 -12.779 -4.939 134 H HIS 16 HN HIS 16 20.749 -10.703 -2.963 135 HA HIS 16 HA HIS 16 21.701 -12.471 -0.885 136 HB2 HIS 16 HB2 HIS 16 22.185 -13.191 -3.786 137 HB3 HIS 16 HB1 HIS 16 22.932 -13.978 -2.396 138 HD2 HIS 16 HD2 HIS 16 19.968 -14.611 -4.591 139 HE1 HIS 16 HE1 HIS 16 18.835 -16.171 -0.835 140 HE2 HIS 16 HE2 HIS 16 18.254 -16.105 -3.306 141 H DAL 17 HN ALA 17 21.941 -9.661 -2.067 142 HA DAL 17 HA ALA 17 24.369 -9.089 -3.203 143 HB1 DAL 17 HB1 ALA 17 25.755 -10.121 -1.652 144 HB2 DAL 17 HB2 ALA 17 24.640 -9.842 -0.317 145 HB3 DAL 17 HB3 ALA 17 25.636 -8.520 -0.926 146 H PHE 18 HN PHE 18 25.352 -6.930 -2.003 147 HA PHE 18 HA PHE 18 23.090 -5.082 -1.998 148 HB2 PHE 18 HB2 PHE 18 23.899 -3.993 0.075 149 HB3 PHE 18 HB1 PHE 18 23.329 -5.635 0.340 150 HD1 PHE 18 HD1 PHE 18 26.570 -3.809 -0.454 151 HD2 PHE 18 HD2 PHE 18 24.662 -7.082 1.582 152 HE1 PHE 18 HE1 PHE 18 28.736 -4.487 0.508 153 HE2 PHE 18 HE2 PHE 18 26.834 -7.734 2.553 154 HZ PHE 18 HZ PHE 18 28.862 -6.437 2.012 155 H TRP 19 HN TRP 19 23.733 -2.854 -2.308 156 HA TRP 19 HA TRP 19 26.369 -2.606 -3.614 157 HB2 TRP 19 HB2 TRP 19 23.756 -1.315 -4.340 158 HB3 TRP 19 HB1 TRP 19 25.302 -0.912 -5.079 159 HD1 TRP 19 HD1 TRP 19 23.397 -4.222 -4.367 160 HE1 TRP 19 HE1 TRP 19 23.589 -5.693 -6.480 161 HE3 TRP 19 HE3 TRP 19 26.149 -1.120 -7.339 162 HZ2 TRP 19 HZ2 TRP 19 24.757 -5.563 -9.092 163 HZ3 TRP 19 HZ3 TRP 19 26.785 -1.812 -9.630 164 HH2 TRP 19 HH2 TRP 19 26.093 -4.027 -10.512 165 H VAL 20 HN VAL 20 27.737 -0.843 -3.033 166 HA VAL 20 HA VAL 20 26.458 1.141 -1.176 167 HB VAL 20 HB VAL 20 28.372 -0.180 -0.221 168 HG11 VAL 20 HG11 VAL 20 29.511 -0.018 -2.645 169 HG12 VAL 20 HG12 VAL 20 30.468 -0.224 -1.181 170 HG13 VAL 20 HG13 VAL 20 30.282 1.376 -1.902 171 HG21 VAL 20 HG21 VAL 20 29.754 2.013 0.327 172 HG22 VAL 20 HG22 VAL 20 28.097 1.851 0.895 173 HG23 VAL 20 HG23 VAL 20 28.444 2.818 -0.536 174 H GLN 21 HN GLN 21 25.825 2.805 -2.441 175 HA GLN 21 HA GLN 21 27.770 3.873 -4.429 176 HB2 GLN 21 HB2 GLN 21 24.748 3.794 -4.629 177 HB3 GLN 21 HB1 GLN 21 25.821 4.600 -5.770 178 HG2 GLN 21 HG2 GLN 21 26.907 2.448 -6.278 179 HG3 GLN 21 HG1 GLN 21 25.844 1.631 -5.137 180 HE21 GLN 21 HE21 GLN 21 26.189 2.200 -8.387 181 HE22 GLN 21 HE22 GLN 21 24.560 2.109 -8.859 182 H VAL 22 HN VAL 22 28.634 5.320 -2.937 183 HA VAL 22 HA VAL 22 27.047 7.074 -1.377 184 HB VAL 22 HB VAL 22 29.212 8.352 -1.061 185 HG11 VAL 22 HG11 VAL 22 30.497 6.398 -0.132 186 HG12 VAL 22 HG12 VAL 22 29.337 5.318 -0.905 187 HG13 VAL 22 HG13 VAL 22 28.805 6.419 0.367 188 HG21 VAL 22 HG21 VAL 22 31.230 7.268 -2.155 189 HG22 VAL 22 HG22 VAL 22 30.175 8.157 -3.253 190 HG23 VAL 22 HG23 VAL 22 30.106 6.396 -3.196 191 HA DPR 23 HA PRO 23 26.978 10.973 -3.795 192 HB2 DPR 23 HB2 PRO 23 24.833 11.826 -3.441 193 HB3 DPR 23 HB1 PRO 23 24.062 10.238 -3.641 194 HG2 DPR 23 HG2 PRO 23 25.532 11.342 -1.280 195 HG3 DPR 23 HG1 PRO 23 24.024 10.408 -1.328 196 HD2 DPR 23 HD2 PRO 23 26.461 9.277 -0.738 197 HD3 DPR 23 HD1 PRO 23 25.133 8.374 -1.500 198 HAC 4G6 24 HAC 4G6 24 28.283 9.434 -9.140 199 HAB 4G6 24 HAB 4G6 24 27.639 11.027 -8.676 200 HAA 4G6 24 HAA 4G6 24 28.900 10.255 -7.686 201 HAF 4G6 24 HAF 4G6 24 25.072 10.469 -7.474 202 HAD 4G6 24 HAD 4G6 24 24.963 8.797 -8.079 203 HAE 4G6 24 HAE 4G6 24 25.700 10.066 -9.088 204 HAL 4G6 24 HAL 4G6 24 27.809 10.386 -5.767 205 HAH 4G6 24 HAH 4G6 24 27.082 7.532 -8.527 206 HAG 4G6 24 HAG 4G6 24 26.417 7.395 -6.885 207 HAI 4G6 24 HAI 4G6 24 29.065 8.249 -6.546 208 H LYS 25 HN LYS 25 31.010 4.321 -7.582 209 HA LYS 25 HA LYS 25 30.375 6.335 -5.511 210 HB2 LYS 25 HB2 LYS 25 31.325 6.693 -8.359 211 HB3 LYS 25 HB1 LYS 25 31.125 7.976 -7.184 212 HG2 LYS 25 HG2 LYS 25 33.057 5.649 -6.990 213 HG3 LYS 25 HG1 LYS 25 33.505 7.285 -7.398 214 HD2 LYS 25 HD2 LYS 25 32.446 6.267 -4.725 215 HD3 LYS 25 HD1 LYS 25 34.057 6.842 -5.061 216 HE2 LYS 25 HE2 LYS 25 31.562 8.578 -5.094 217 HE3 LYS 25 HE1 LYS 25 32.726 8.496 -3.795 218 HZ1 LYS 25 HZ1 LYS 25 34.396 9.145 -5.667 219 HZ2 LYS 25 HZ2 LYS 25 33.439 10.321 -4.912 220 HZ3 LYS 25 HZ3 LYS 25 33.003 9.740 -6.441 221 H GLU 26 HN GLU 26 31.055 1.839 -3.936 222 HA GLU 26 HA GLU 26 31.831 2.353 -6.718 223 HB2 GLU 26 HB2 GLU 26 29.040 1.620 -5.812 224 HB3 GLU 26 HB1 GLU 26 29.487 2.110 -7.439 225 HG2 GLU 26 HG2 GLU 26 30.565 -0.344 -6.023 226 HG3 GLU 26 HG1 GLU 26 29.245 -0.366 -7.183 227 H PHE 27 HN PHE 27 33.965 -1.600 -3.666 228 HA PHE 27 HA PHE 27 32.180 0.479 -2.718 229 HB2 PHE 27 HB2 PHE 27 35.046 0.606 -3.645 230 HB3 PHE 27 HB1 PHE 27 34.160 1.927 -2.903 231 HD1 PHE 27 HD1 PHE 27 36.487 1.528 -1.586 232 HD2 PHE 27 HD2 PHE 27 32.990 -0.952 -1.183 233 HE1 PHE 27 HE1 PHE 27 37.249 0.782 0.636 234 HE2 PHE 27 HE2 PHE 27 33.767 -1.678 1.020 235 HZ PHE 27 HZ PHE 27 35.888 -0.813 1.923 236 H LYS 28 HN LYS 28 30.559 -3.725 -4.593 237 HA LYS 28 HA LYS 28 32.447 -3.933 -2.517 238 HB2 LYS 28 HB2 LYS 28 34.449 -3.257 -3.816 239 HB3 LYS 28 HB1 LYS 28 33.810 -4.824 -4.303 240 HG2 LYS 28 HG2 LYS 28 32.637 -3.812 -6.193 241 HG3 LYS 28 HG1 LYS 28 33.170 -2.215 -5.703 242 HD2 LYS 28 HD2 LYS 28 34.522 -3.025 -7.575 243 HD3 LYS 28 HD1 LYS 28 35.514 -2.854 -6.136 244 HE2 LYS 28 HE2 LYS 28 34.327 -5.472 -7.095 245 HE3 LYS 28 HE1 LYS 28 35.977 -4.950 -7.424 246 HZ1 LYS 28 HZ1 LYS 28 35.683 -4.667 -4.723 247 HZ2 LYS 28 HZ2 LYS 28 36.501 -5.924 -5.522 248 HZ3 LYS 28 HZ3 LYS 28 34.875 -6.118 -5.068 249 H HIS 29 HN HIS 29 29.623 -8.194 -4.389 250 HA HIS 29 HA HIS 29 29.923 -5.722 -5.860 251 HB2 HIS 29 HB2 HIS 29 27.829 -6.123 -4.723 252 HB3 HIS 29 HB1 HIS 29 28.662 -6.329 -3.180 253 HD2 HIS 29 HD2 HIS 29 28.513 -3.997 -1.751 254 HE1 HIS 29 HE1 HIS 29 28.692 -1.279 -4.984 255 HE2 HIS 29 HE2 HIS 29 28.594 -1.488 -2.449 256 H1 ACE 30 HA2 ACE 30 30.006 -10.043 -6.609 257 H2 ACE 30 HA3 ACE 30 30.801 -10.066 -5.035 258 H3 ACE 30 HA1 ACE 30 31.767 -10.003 -6.509 Start of MODEL 9 1 HN1 NH2 0 H1 THR 1 29.396 -8.755 4.647 2 HN2 NH2 0 H2 THR 1 28.964 -10.259 5.305 3 H THR 1 HN THR 1 28.244 -6.705 8.455 4 HA THR 1 HA THR 1 29.446 -6.826 5.795 5 HB THR 1 HB THR 1 31.427 -7.627 7.025 6 HG1 THR 1 HG1 THR 1 30.975 -8.455 8.874 7 HG21 THR 1 HG21 THR 1 32.126 -5.510 7.678 8 HG22 THR 1 HG22 THR 1 30.596 -5.137 8.464 9 HG23 THR 1 HG23 THR 1 30.719 -5.087 6.704 10 H GLU 2 HN GLU 2 24.735 -3.921 7.186 11 HA GLU 2 HA GLU 2 26.718 -4.996 8.685 12 HB2 GLU 2 HB2 GLU 2 25.558 -7.185 8.471 13 HB3 GLU 2 HB1 GLU 2 24.464 -5.847 8.798 14 HG2 GLU 2 HG2 GLU 2 23.510 -7.293 7.074 15 HG3 GLU 2 HG1 GLU 2 23.911 -5.727 6.382 16 H ILE 3 HN ILE 3 27.576 -0.862 5.890 17 HA ILE 3 HA ILE 3 24.862 -1.832 6.494 18 HB ILE 3 HB ILE 3 24.843 -1.451 4.065 19 HG12 ILE 3 HG12 ILE 3 25.012 -4.388 4.810 20 HG13 ILE 3 HG11 ILE 3 23.600 -3.358 5.035 21 HG21 ILE 3 HG21 ILE 3 26.326 -2.589 2.557 22 HG22 ILE 3 HG22 ILE 3 27.032 -3.526 3.881 23 HG23 ILE 3 HG23 ILE 3 27.335 -1.795 3.775 24 HD11 ILE 3 HD11 ILE 3 23.186 -4.447 2.992 25 HD12 ILE 3 HD12 ILE 3 24.862 -4.283 2.466 26 HD13 ILE 3 HD13 ILE 3 23.810 -2.869 2.512 27 H ARG 4 HN ARG 4 26.509 2.110 4.485 28 HA ARG 4 HA ARG 4 27.997 1.222 6.803 29 HB2 ARG 4 HB2 ARG 4 25.503 2.912 7.179 30 HB3 ARG 4 HB1 ARG 4 26.300 1.999 8.445 31 HG2 ARG 4 HG2 ARG 4 27.557 4.311 6.934 32 HG3 ARG 4 HG1 ARG 4 26.830 4.420 8.521 33 HD2 ARG 4 HD2 ARG 4 29.235 2.705 7.824 34 HD3 ARG 4 HD1 ARG 4 29.266 4.213 8.709 35 HE ARG 4 HE ARG 4 28.633 1.659 9.776 36 HH11 ARG 4 HH11 ARG 4 27.796 1.532 11.876 37 HH12 ARG 4 HH12 ARG 4 27.170 2.955 12.642 38 HH21 ARG 4 HH21 ARG 4 27.840 5.026 9.946 39 HH22 ARG 4 HH22 ARG 4 27.198 4.929 11.552 40 H VAL 5 HN VAL 5 28.682 5.551 4.157 41 HA VAL 5 HA VAL 5 27.384 3.216 2.932 42 HB VAL 5 HB VAL 5 29.493 3.524 1.693 43 HG11 VAL 5 HG11 VAL 5 31.590 3.709 2.708 44 HG12 VAL 5 HG12 VAL 5 31.030 3.031 4.235 45 HG13 VAL 5 HG13 VAL 5 30.578 4.674 3.781 46 HG21 VAL 5 HG21 VAL 5 29.823 1.243 3.642 47 HG22 VAL 5 HG22 VAL 5 30.294 1.294 1.943 48 HG23 VAL 5 HG23 VAL 5 28.587 1.232 2.383 49 H8 4FU 6 HAM 4FU 6 26.140 7.488 4.003 50 H9 4FU 6 HAI 4FU 6 25.674 9.851 3.484 51 HAI 4FU 6 HAJ 4FU 6 27.393 9.607 3.868 52 H112 4FU 6 HAE 4FU 6 27.160 11.056 1.904 53 H111 4FU 6 HAF 4FU 6 26.197 9.812 1.079 54 HAG 4FU 6 HAG 4FU 6 28.537 9.733 0.319 55 H12 4FU 6 HAH 4FU 6 29.083 9.551 2.001 56 HAL 4FU 6 HAL 4FU 6 29.025 7.376 0.855 57 HAK 4FU 6 HAK 4FU 6 27.304 7.599 0.475 58 H14 4FU 6 HAN 4FU 6 28.504 7.521 3.269 59 H GLY 7 HN GLY 7 25.557 5.661 2.192 60 HA2 GLY 7 HA2 GLY 7 23.278 6.812 0.704 61 HA3 GLY 7 HA1 GLY 7 24.441 5.832 -0.169 62 H VAL 8 HN VAL 8 24.737 4.159 2.336 63 HA VAL 8 HA VAL 8 22.168 2.662 2.125 64 HB VAL 8 HB VAL 8 24.955 1.487 2.183 65 HG11 VAL 8 HG11 VAL 8 23.293 0.086 3.344 66 HG12 VAL 8 HG12 VAL 8 23.760 -0.647 1.813 67 HG13 VAL 8 HG13 VAL 8 22.220 0.196 1.953 68 HG21 VAL 8 HG21 VAL 8 24.310 0.711 -0.118 69 HG22 VAL 8 HG22 VAL 8 24.471 2.463 0.011 70 HG23 VAL 8 HG23 VAL 8 22.871 1.724 -0.007 71 H THR 9 HN THR 9 21.244 2.118 3.980 72 HA THR 9 HA THR 9 22.569 2.776 6.496 73 HB THR 9 HB THR 9 20.221 3.440 6.159 74 HG1 THR 9 HG1 THR 9 19.496 1.893 8.038 75 HG21 THR 9 HG21 THR 9 19.487 0.520 6.262 76 HG22 THR 9 HG22 THR 9 19.780 1.327 4.723 77 HG23 THR 9 HG23 THR 9 18.488 1.892 5.780 78 H ILE 10 HN ILE 10 21.379 0.937 8.194 79 HA ILE 10 HA ILE 10 23.224 -1.172 8.147 80 HB ILE 10 HB ILE 10 20.567 -0.954 9.579 81 HG12 ILE 10 HG12 ILE 10 23.418 -0.412 10.481 82 HG13 ILE 10 HG11 ILE 10 22.245 0.833 10.054 83 HG21 ILE 10 HG21 ILE 10 21.197 -3.273 9.555 84 HG22 ILE 10 HG22 ILE 10 21.677 -2.649 11.129 85 HG23 ILE 10 HG23 ILE 10 22.886 -2.883 9.868 86 HD11 ILE 10 HD11 ILE 10 22.045 -1.153 12.335 87 HD12 ILE 10 HD12 ILE 10 20.730 -0.085 11.845 88 HD13 ILE 10 HD13 ILE 10 22.235 0.596 12.463 89 H ARG 11 HN ARG 11 19.743 -1.269 7.268 90 HA ARG 11 HA ARG 11 20.231 -3.301 5.369 91 HB2 ARG 11 HB2 ARG 11 20.148 -4.577 7.435 92 HB3 ARG 11 HB1 ARG 11 18.620 -3.819 7.863 93 HG2 ARG 11 HG2 ARG 11 18.275 -6.070 6.966 94 HG3 ARG 11 HG1 ARG 11 17.547 -4.867 5.918 95 HD2 ARG 11 HD2 ARG 11 19.393 -4.960 4.379 96 HD3 ARG 11 HD1 ARG 11 20.318 -5.995 5.463 97 HE ARG 11 HE ARG 11 18.358 -6.838 3.581 98 HH11 ARG 11 HH11 ARG 11 17.632 -9.006 3.725 99 HH12 ARG 11 HH12 ARG 11 17.931 -9.912 5.171 100 HH21 ARG 11 HH21 ARG 11 19.576 -7.284 6.763 101 HH22 ARG 11 HH22 ARG 11 19.043 -8.937 6.905 102 H MET 12 HN MET 12 18.845 -3.039 3.690 103 HA MET 12 HA MET 12 16.074 -2.511 3.994 104 HB2 MET 12 HB2 MET 12 15.962 -0.266 3.022 105 HB3 MET 12 HB1 MET 12 16.860 -0.241 4.537 106 HG2 MET 12 HG2 MET 12 18.985 -0.302 3.277 107 HG3 MET 12 HG1 MET 12 18.087 -0.316 1.762 108 HE1 MET 12 HE1 MET 12 19.878 3.122 2.240 109 HE2 MET 12 HE2 MET 12 19.264 2.214 0.863 110 HE3 MET 12 HE3 MET 12 20.198 1.387 2.106 111 H ARG 13 HN ARG 13 14.986 -2.206 1.860 112 HA ARG 13 HA ARG 13 14.659 -3.014 -0.298 113 HB2 ARG 13 HB2 ARG 13 17.473 -2.005 -0.657 114 HB3 ARG 13 HB1 ARG 13 16.290 -2.267 -1.929 115 HG2 ARG 13 HG2 ARG 13 16.062 -0.239 0.302 116 HG3 ARG 13 HG1 ARG 13 16.527 0.111 -1.350 117 HD2 ARG 13 HD2 ARG 13 14.183 0.685 -1.068 118 HD3 ARG 13 HD1 ARG 13 14.305 -0.711 -2.127 119 HE ARG 13 HE ARG 13 13.021 -1.843 -0.589 120 HH11 ARG 13 HH11 ARG 13 12.187 -2.315 1.461 121 HH12 ARG 13 HH12 ARG 13 12.634 -1.338 2.820 122 HH21 ARG 13 HH21 ARG 13 14.676 0.767 0.977 123 HH22 ARG 13 HH22 ARG 13 14.040 0.403 2.547 124 H DAL 14 HN ALA 14 17.543 -3.572 -1.509 125 HA DAL 14 HA ALA 14 18.864 -5.457 -1.919 126 HB1 DAL 14 HB1 ALA 14 17.613 -7.331 -2.696 127 HB2 DAL 14 HB2 ALA 14 16.656 -5.904 -3.089 128 HB3 DAL 14 HB3 ALA 14 16.221 -6.901 -1.702 129 H SER 15 HN SER 15 18.051 -8.132 -1.130 130 HA SER 15 HA SER 15 18.775 -8.080 1.727 131 HB2 SER 15 HB2 SER 15 16.516 -8.980 1.363 132 HB3 SER 15 HB1 SER 15 17.168 -10.146 0.214 133 HG SER 15 HG SER 15 18.514 -10.153 2.576 134 H HIS 16 HN HIS 16 19.806 -8.765 -1.351 135 HA HIS 16 HA HIS 16 21.988 -10.468 -0.330 136 HB2 HIS 16 HB2 HIS 16 21.832 -11.905 -2.325 137 HB3 HIS 16 HB1 HIS 16 20.368 -11.990 -1.346 138 HD2 HIS 16 HD2 HIS 16 20.033 -8.738 -3.138 139 HE1 HIS 16 HE1 HIS 16 18.412 -11.557 -5.828 140 HE2 HIS 16 HE2 HIS 16 18.607 -9.082 -5.296 141 H DAL 17 HN ALA 17 21.521 -7.584 -1.364 142 HA DAL 17 HA ALA 17 22.867 -7.176 -3.785 143 HB1 DAL 17 HB1 ALA 17 24.815 -8.267 -2.856 144 HB2 DAL 17 HB2 ALA 17 24.728 -7.280 -1.406 145 HB3 DAL 17 HB3 ALA 17 25.138 -6.547 -2.953 146 H PHE 18 HN PHE 18 24.627 -5.140 -2.188 147 HA PHE 18 HA PHE 18 22.543 -3.047 -2.156 148 HB2 PHE 18 HB2 PHE 18 24.662 -3.344 -0.005 149 HB3 PHE 18 HB1 PHE 18 23.458 -2.066 -0.115 150 HD1 PHE 18 HD1 PHE 18 23.658 -5.810 -0.007 151 HD2 PHE 18 HD2 PHE 18 21.520 -2.296 1.173 152 HE1 PHE 18 HE1 PHE 18 22.086 -7.212 1.279 153 HE2 PHE 18 HE2 PHE 18 19.960 -3.694 2.482 154 HZ PHE 18 HZ PHE 18 20.244 -6.145 2.532 155 H TRP 19 HN TRP 19 23.197 -1.370 -3.377 156 HA TRP 19 HA TRP 19 26.059 -1.155 -4.059 157 HB2 TRP 19 HB2 TRP 19 23.634 0.150 -5.280 158 HB3 TRP 19 HB1 TRP 19 25.298 0.422 -5.797 159 HD1 TRP 19 HD1 TRP 19 23.096 -2.696 -5.108 160 HE1 TRP 19 HE1 TRP 19 23.533 -4.383 -7.020 161 HE3 TRP 19 HE3 TRP 19 26.608 -0.097 -7.799 162 HZ2 TRP 19 HZ2 TRP 19 25.146 -4.599 -9.371 163 HZ3 TRP 19 HZ3 TRP 19 27.550 -1.079 -9.875 164 HH2 TRP 19 HH2 TRP 19 26.839 -3.320 -10.652 165 H VAL 20 HN VAL 20 27.249 0.635 -3.767 166 HA VAL 20 HA VAL 20 26.050 2.978 -2.497 167 HB VAL 20 HB VAL 20 26.526 1.432 -0.625 168 HG11 VAL 20 HG11 VAL 20 28.691 0.593 -0.180 169 HG12 VAL 20 HG12 VAL 20 29.445 1.678 -1.347 170 HG13 VAL 20 HG13 VAL 20 28.461 0.327 -1.909 171 HG21 VAL 20 HG21 VAL 20 28.635 3.582 -0.506 172 HG22 VAL 20 HG22 VAL 20 27.490 3.058 0.720 173 HG23 VAL 20 HG23 VAL 20 26.932 4.037 -0.620 174 H GLN 21 HN GLN 21 27.815 4.588 -2.050 175 HA GLN 21 HA GLN 21 29.994 5.394 -2.488 176 HB2 GLN 21 HB2 GLN 21 29.717 3.985 -5.121 177 HB3 GLN 21 HB1 GLN 21 30.941 5.203 -4.794 178 HG2 GLN 21 HG2 GLN 21 31.773 3.915 -2.871 179 HG3 GLN 21 HG1 GLN 21 30.569 2.674 -3.139 180 HE21 GLN 21 HE21 GLN 21 33.767 3.336 -3.676 181 HE22 GLN 21 HE22 GLN 21 34.020 2.379 -5.055 182 H VAL 22 HN VAL 22 27.476 5.506 -5.007 183 HA VAL 22 HA VAL 22 27.283 8.372 -4.529 184 HB VAL 22 HB VAL 22 27.454 8.893 -7.013 185 HG11 VAL 22 HG11 VAL 22 29.366 9.088 -5.303 186 HG12 VAL 22 HG12 VAL 22 29.853 8.952 -6.990 187 HG13 VAL 22 HG13 VAL 22 29.954 7.549 -5.927 188 HG21 VAL 22 HG21 VAL 22 28.782 7.107 -8.297 189 HG22 VAL 22 HG22 VAL 22 27.083 6.771 -8.026 190 HG23 VAL 22 HG23 VAL 22 28.294 5.978 -7.035 191 HA DPR 23 HA PRO 23 23.034 7.744 -5.673 192 HB2 DPR 23 HB2 PRO 23 22.655 9.125 -3.830 193 HB3 DPR 23 HB1 PRO 23 21.825 7.651 -3.278 194 HG2 DPR 23 HG2 PRO 23 23.692 8.706 -1.777 195 HG3 DPR 23 HG1 PRO 23 23.645 6.952 -2.023 196 HD2 DPR 23 HD2 PRO 23 25.540 8.958 -3.174 197 HD3 DPR 23 HD1 PRO 23 25.836 7.259 -2.735 198 HAC 4G6 24 HAC 4G6 24 22.103 4.030 -8.070 199 HAB 4G6 24 HAB 4G6 24 21.422 2.535 -7.384 200 HAA 4G6 24 HAA 4G6 24 20.565 4.082 -7.174 201 HAF 4G6 24 HAF 4G6 24 20.929 4.314 -4.348 202 HAD 4G6 24 HAD 4G6 24 22.045 2.974 -3.984 203 HAE 4G6 24 HAE 4G6 24 20.681 2.722 -5.099 204 HAL 4G6 24 HAL 4G6 24 22.682 5.836 -6.657 205 HAH 4G6 24 HAH 4G6 24 23.327 1.990 -6.299 206 HAG 4G6 24 HAG 4G6 24 23.966 2.926 -4.929 207 HAI 4G6 24 HAI 4G6 24 24.760 4.567 -6.794 208 H LYS 25 HN LYS 25 27.999 2.698 -9.373 209 HA LYS 25 HA LYS 25 26.353 4.571 -8.192 210 HB2 LYS 25 HB2 LYS 25 26.400 4.173 -10.627 211 HB3 LYS 25 HB1 LYS 25 25.661 2.612 -10.377 212 HG2 LYS 25 HG2 LYS 25 23.978 4.283 -11.087 213 HG3 LYS 25 HG1 LYS 25 23.625 3.623 -9.502 214 HD2 LYS 25 HD2 LYS 25 23.235 6.034 -9.530 215 HD3 LYS 25 HD1 LYS 25 24.538 5.671 -8.435 216 HE2 LYS 25 HE2 LYS 25 24.801 6.787 -11.245 217 HE3 LYS 25 HE1 LYS 25 25.035 7.667 -9.743 218 HZ1 LYS 25 HZ1 LYS 25 27.154 7.172 -9.959 219 HZ2 LYS 25 HZ2 LYS 25 26.872 6.037 -11.188 220 HZ3 LYS 25 HZ3 LYS 25 26.766 5.576 -9.559 221 H GLU 26 HN GLU 26 30.301 1.129 -5.843 222 HA GLU 26 HA GLU 26 30.362 3.037 -7.155 223 HB2 GLU 26 HB2 GLU 26 29.281 1.429 -9.480 224 HB3 GLU 26 HB1 GLU 26 29.931 3.047 -9.524 225 HG2 GLU 26 HG2 GLU 26 31.530 0.598 -8.733 226 HG3 GLU 26 HG1 GLU 26 31.563 1.353 -10.320 227 H PHE 27 HN PHE 27 31.811 -1.608 -5.522 228 HA PHE 27 HA PHE 27 30.198 -2.177 -6.989 229 HB2 PHE 27 HB2 PHE 27 28.309 -1.151 -4.893 230 HB3 PHE 27 HB1 PHE 27 27.848 -2.052 -6.321 231 HD1 PHE 27 HD1 PHE 27 26.860 -3.287 -4.163 232 HD2 PHE 27 HD2 PHE 27 30.980 -3.476 -5.351 233 HE1 PHE 27 HE1 PHE 27 27.142 -5.348 -2.850 234 HE2 PHE 27 HE2 PHE 27 31.239 -5.553 -4.080 235 HZ PHE 27 HZ PHE 27 29.328 -6.484 -2.841 236 H LYS 28 HN LYS 28 33.142 -1.794 -2.391 237 HA LYS 28 HA LYS 28 32.151 0.600 -2.924 238 HB2 LYS 28 HB2 LYS 28 33.426 -1.242 -4.942 239 HB3 LYS 28 HB1 LYS 28 33.327 0.506 -5.107 240 HG2 LYS 28 HG2 LYS 28 34.600 0.772 -3.003 241 HG3 LYS 28 HG1 LYS 28 34.709 -0.982 -2.858 242 HD2 LYS 28 HD2 LYS 28 35.913 -1.082 -5.017 243 HD3 LYS 28 HD1 LYS 28 35.826 0.676 -5.139 244 HE2 LYS 28 HE2 LYS 28 37.187 -0.861 -2.906 245 HE3 LYS 28 HE1 LYS 28 38.011 -0.051 -4.237 246 HZ1 LYS 28 HZ1 LYS 28 38.066 1.506 -2.547 247 HZ2 LYS 28 HZ2 LYS 28 36.502 1.134 -1.999 248 HZ3 LYS 28 HZ3 LYS 28 36.715 1.999 -3.446 249 H HIS 29 HN HIS 29 32.140 -1.921 0.508 250 HA HIS 29 HA HIS 29 32.025 -3.922 -1.657 251 HB2 HIS 29 HB2 HIS 29 29.576 -4.060 -1.371 252 HB3 HIS 29 HB1 HIS 29 30.442 -4.666 0.036 253 HD2 HIS 29 HD2 HIS 29 27.498 -2.468 -0.516 254 HE1 HIS 29 HE1 HIS 29 29.336 -0.921 2.943 255 HE2 HIS 29 HE2 HIS 29 27.233 -0.873 1.530 256 H1 ACE 30 HA2 ACE 30 34.167 -3.686 2.442 257 H2 ACE 30 HA3 ACE 30 33.688 -2.046 2.004 258 H3 ACE 30 HA1 ACE 30 35.168 -2.739 1.342 Start of MODEL 10 1 HN1 NH2 0 H1 THR 1 19.900 -6.497 2.203 2 HN2 NH2 0 H2 THR 1 21.327 -7.215 1.632 3 H THR 1 HN THR 1 21.939 -2.943 4.456 4 HA THR 1 HA THR 1 20.103 -5.024 4.197 5 HB THR 1 HB THR 1 20.990 -3.042 2.093 6 HG1 THR 1 HG1 THR 1 18.704 -2.360 2.930 7 HG21 THR 1 HG21 THR 1 18.706 -5.003 2.235 8 HG22 THR 1 HG22 THR 1 19.847 -4.736 0.917 9 HG23 THR 1 HG23 THR 1 18.599 -3.538 1.259 10 H GLU 2 HN GLU 2 23.701 -2.212 4.896 11 HA GLU 2 HA GLU 2 24.249 -4.523 6.644 12 HB2 GLU 2 HB2 GLU 2 22.071 -2.457 6.905 13 HB3 GLU 2 HB1 GLU 2 22.267 -3.860 7.945 14 HG2 GLU 2 HG2 GLU 2 24.260 -1.600 7.616 15 HG3 GLU 2 HG1 GLU 2 23.209 -1.847 9.007 16 H ILE 3 HN ILE 3 26.986 -0.572 5.654 17 HA ILE 3 HA ILE 3 25.300 -1.686 3.533 18 HB ILE 3 HB ILE 3 27.109 -3.475 3.175 19 HG12 ILE 3 HG12 ILE 3 29.436 -2.664 3.414 20 HG13 ILE 3 HG11 ILE 3 28.865 -1.238 4.257 21 HG21 ILE 3 HG21 ILE 3 26.736 -2.243 1.269 22 HG22 ILE 3 HG22 ILE 3 28.365 -1.669 1.624 23 HG23 ILE 3 HG23 ILE 3 26.969 -0.696 2.085 24 HD11 ILE 3 HD11 ILE 3 28.426 -4.072 5.233 25 HD12 ILE 3 HD12 ILE 3 28.106 -2.574 6.122 26 HD13 ILE 3 HD13 ILE 3 29.758 -3.044 5.748 27 H ARG 4 HN ARG 4 25.180 3.301 4.162 28 HA ARG 4 HA ARG 4 27.570 1.862 5.154 29 HB2 ARG 4 HB2 ARG 4 26.078 2.957 6.815 30 HB3 ARG 4 HB1 ARG 4 24.731 1.991 6.229 31 HG2 ARG 4 HG2 ARG 4 25.853 -0.056 6.942 32 HG3 ARG 4 HG1 ARG 4 27.263 0.869 7.451 33 HD2 ARG 4 HD2 ARG 4 25.865 2.083 9.072 34 HD3 ARG 4 HD1 ARG 4 24.454 1.177 8.540 35 HE ARG 4 HE ARG 4 25.153 -0.529 9.914 36 HH11 ARG 4 HH11 ARG 4 26.657 -1.729 11.125 37 HH12 ARG 4 HH12 ARG 4 28.318 -1.239 11.163 38 HH21 ARG 4 HH21 ARG 4 27.833 1.500 9.095 39 HH22 ARG 4 HH22 ARG 4 28.982 0.589 10.017 40 H VAL 5 HN VAL 5 28.388 5.760 2.852 41 HA VAL 5 HA VAL 5 25.598 5.276 3.147 42 HB VAL 5 HB VAL 5 25.676 5.226 0.691 43 HG11 VAL 5 HG11 VAL 5 28.123 4.558 0.627 44 HG12 VAL 5 HG12 VAL 5 27.087 3.678 -0.498 45 HG13 VAL 5 HG13 VAL 5 27.608 2.914 1.003 46 HG21 VAL 5 HG21 VAL 5 24.528 3.166 0.414 47 HG22 VAL 5 HG22 VAL 5 24.286 3.568 2.114 48 HG23 VAL 5 HG23 VAL 5 25.492 2.365 1.656 49 H8 4FU 6 HAM 4FU 6 28.768 10.124 2.544 50 H9 4FU 6 HAI 4FU 6 25.887 9.372 1.932 51 HAI 4FU 6 HAJ 4FU 6 26.487 10.995 2.331 52 H112 4FU 6 HAE 4FU 6 27.933 10.985 0.347 53 H111 4FU 6 HAF 4FU 6 26.234 10.716 -0.105 54 HAG 4FU 6 HAG 4FU 6 26.644 8.284 -0.219 55 H12 4FU 6 HAH 4FU 6 27.750 9.171 -1.294 56 HAL 4FU 6 HAL 4FU 6 29.514 9.064 0.410 57 HAK 4FU 6 HAK 4FU 6 28.952 7.430 -0.008 58 H14 4FU 6 HAN 4FU 6 29.198 7.707 2.437 59 H GLY 7 HN GLY 7 26.049 8.113 3.487 60 HA2 GLY 7 HA2 GLY 7 26.595 7.302 5.996 61 HA3 GLY 7 HA1 GLY 7 26.200 8.997 6.252 62 H VAL 8 HN VAL 8 24.614 7.742 3.602 63 HA VAL 8 HA VAL 8 22.029 8.072 4.708 64 HB VAL 8 HB VAL 8 22.884 6.570 2.219 65 HG11 VAL 8 HG11 VAL 8 20.635 5.934 2.829 66 HG12 VAL 8 HG12 VAL 8 20.521 7.096 1.508 67 HG13 VAL 8 HG13 VAL 8 20.200 7.609 3.164 68 HG21 VAL 8 HG21 VAL 8 23.513 9.052 2.466 69 HG22 VAL 8 HG22 VAL 8 21.780 9.380 2.421 70 HG23 VAL 8 HG23 VAL 8 22.570 8.618 1.039 71 H THR 9 HN THR 9 20.657 6.649 5.694 72 HA THR 9 HA THR 9 21.725 4.240 6.749 73 HB THR 9 HB THR 9 19.450 3.830 7.602 74 HG1 THR 9 HG1 THR 9 18.170 5.962 7.100 75 HG21 THR 9 HG21 THR 9 19.361 5.849 9.005 76 HG22 THR 9 HG22 THR 9 20.470 6.658 7.897 77 HG23 THR 9 HG23 THR 9 21.008 5.247 8.812 78 H ILE 10 HN ILE 10 20.870 2.142 6.537 79 HA ILE 10 HA ILE 10 19.270 1.276 4.341 80 HB ILE 10 HB ILE 10 21.270 2.096 3.098 81 HG12 ILE 10 HG12 ILE 10 21.061 -0.934 3.089 82 HG13 ILE 10 HG11 ILE 10 19.936 0.134 2.262 83 HG21 ILE 10 HG21 ILE 10 22.635 1.087 5.311 84 HG22 ILE 10 HG22 ILE 10 23.389 1.599 3.800 85 HG23 ILE 10 HG23 ILE 10 23.006 -0.101 4.057 86 HD11 ILE 10 HD11 ILE 10 21.850 -0.837 0.860 87 HD12 ILE 10 HD12 ILE 10 22.915 0.236 1.764 88 HD13 ILE 10 HD13 ILE 10 21.623 0.908 0.776 89 H ARG 11 HN ARG 11 18.891 0.569 6.696 90 HA ARG 11 HA ARG 11 20.337 -1.459 7.951 91 HB2 ARG 11 HB2 ARG 11 18.289 -1.761 9.287 92 HB3 ARG 11 HB1 ARG 11 18.758 -0.073 9.127 93 HG2 ARG 11 HG2 ARG 11 17.137 0.220 7.295 94 HG3 ARG 11 HG1 ARG 11 16.647 -1.464 7.447 95 HD2 ARG 11 HD2 ARG 11 15.092 -0.014 8.662 96 HD3 ARG 11 HD1 ARG 11 15.967 -1.051 9.782 97 HE ARG 11 HE ARG 11 17.376 1.377 9.509 98 HH11 ARG 11 HH11 ARG 11 17.181 2.941 11.143 99 HH12 ARG 11 HH12 ARG 11 15.826 2.895 12.222 100 HH21 ARG 11 HH21 ARG 11 14.414 0.089 10.752 101 HH22 ARG 11 HH22 ARG 11 14.260 1.280 12.000 102 H MET 12 HN MET 12 17.725 -3.009 8.281 103 HA MET 12 HA MET 12 17.126 -5.157 7.747 104 HB2 MET 12 HB2 MET 12 16.065 -5.362 5.551 105 HB3 MET 12 HB1 MET 12 15.614 -3.862 6.349 106 HG2 MET 12 HG2 MET 12 17.258 -2.632 4.980 107 HG3 MET 12 HG1 MET 12 17.732 -4.132 4.188 108 HE1 MET 12 HE1 MET 12 14.904 -5.223 2.095 109 HE2 MET 12 HE2 MET 12 14.522 -5.518 3.789 110 HE3 MET 12 HE3 MET 12 16.182 -5.682 3.227 111 H ARG 13 HN ARG 13 17.287 -6.712 5.509 112 HA ARG 13 HA ARG 13 20.196 -7.134 5.108 113 HB2 ARG 13 HB2 ARG 13 19.798 -9.545 5.299 114 HB3 ARG 13 HB1 ARG 13 19.372 -8.696 6.786 115 HG2 ARG 13 HG2 ARG 13 17.007 -8.690 6.117 116 HG3 ARG 13 HG1 ARG 13 17.418 -9.531 4.625 117 HD2 ARG 13 HD2 ARG 13 17.878 -10.588 7.427 118 HD3 ARG 13 HD1 ARG 13 16.609 -11.119 6.328 119 HE ARG 13 HE ARG 13 19.322 -11.983 6.298 120 HH11 ARG 13 HH11 ARG 13 20.045 -13.225 4.542 121 HH12 ARG 13 HH12 ARG 13 19.112 -13.280 3.083 122 HH21 ARG 13 HH21 ARG 13 16.633 -11.171 4.269 123 HH22 ARG 13 HH22 ARG 13 17.185 -12.120 2.929 124 H DAL 14 HN ALA 14 20.362 -9.108 3.458 125 HA DAL 14 HA ALA 14 20.176 -8.388 0.910 126 HB1 DAL 14 HB1 ALA 14 17.894 -9.496 0.180 127 HB2 DAL 14 HB2 ALA 14 17.914 -7.826 0.739 128 HB3 DAL 14 HB3 ALA 14 17.409 -9.113 1.833 129 H SER 15 HN SER 15 19.495 -10.390 -0.638 130 HA SER 15 HA SER 15 19.634 -12.989 0.370 131 HB2 SER 15 HB2 SER 15 18.914 -12.506 -1.917 132 HB3 SER 15 HB1 SER 15 20.538 -11.953 -2.318 133 HG SER 15 HG SER 15 19.555 -14.446 -2.283 134 H HIS 16 HN HIS 16 22.192 -10.872 -0.809 135 HA HIS 16 HA HIS 16 24.120 -12.004 0.957 136 HB2 HIS 16 HB2 HIS 16 25.604 -12.995 -0.743 137 HB3 HIS 16 HB1 HIS 16 24.053 -13.831 -0.666 138 HD2 HIS 16 HD2 HIS 16 26.255 -12.476 -3.367 139 HE1 HIS 16 HE1 HIS 16 22.345 -12.076 -4.909 140 HE2 HIS 16 HE2 HIS 16 24.815 -12.026 -5.499 141 H DAL 17 HN ALA 17 22.994 -9.436 -0.382 142 HA DAL 17 HA ALA 17 25.547 -8.226 -1.257 143 HB1 DAL 17 HB1 ALA 17 25.049 -6.268 0.249 144 HB2 DAL 17 HB2 ALA 17 25.511 -7.745 1.094 145 HB3 DAL 17 HB3 ALA 17 23.816 -7.259 1.027 146 H PHE 18 HN PHE 18 25.042 -5.771 -1.767 147 HA PHE 18 HA PHE 18 22.935 -5.828 -3.788 148 HB2 PHE 18 HB2 PHE 18 21.857 -3.781 -2.982 149 HB3 PHE 18 HB1 PHE 18 21.732 -5.066 -1.790 150 HD1 PHE 18 HD1 PHE 18 23.998 -2.156 -2.661 151 HD2 PHE 18 HD2 PHE 18 22.277 -4.581 0.434 152 HE1 PHE 18 HE1 PHE 18 25.044 -0.737 -0.970 153 HE2 PHE 18 HE2 PHE 18 23.321 -3.124 2.132 154 HZ PHE 18 HZ PHE 18 24.693 -1.201 1.412 155 H TRP 19 HN TRP 19 22.972 -3.393 -4.776 156 HA TRP 19 HA TRP 19 25.839 -2.657 -5.091 157 HB2 TRP 19 HB2 TRP 19 25.340 -2.160 -7.453 158 HB3 TRP 19 HB1 TRP 19 25.037 -3.858 -7.082 159 HD1 TRP 19 HD1 TRP 19 22.317 -4.257 -6.200 160 HE1 TRP 19 HE1 TRP 19 20.204 -3.380 -7.395 161 HE3 TRP 19 HE3 TRP 19 24.362 -0.488 -8.984 162 HZ2 TRP 19 HZ2 TRP 19 19.478 -1.348 -9.273 163 HZ3 TRP 19 HZ3 TRP 19 22.943 0.897 -10.456 164 HH2 TRP 19 HH2 TRP 19 20.503 0.475 -10.607 165 H VAL 20 HN VAL 20 26.303 -0.444 -5.055 166 HA VAL 20 HA VAL 20 24.049 1.444 -5.226 167 HB VAL 20 HB VAL 20 24.134 0.824 -2.840 168 HG11 VAL 20 HG11 VAL 20 26.905 2.024 -2.866 169 HG12 VAL 20 HG12 VAL 20 26.616 0.289 -2.908 170 HG13 VAL 20 HG13 VAL 20 26.099 1.239 -1.515 171 HG21 VAL 20 HG21 VAL 20 23.655 3.195 -3.702 172 HG22 VAL 20 HG22 VAL 20 25.304 3.579 -3.213 173 HG23 VAL 20 HG23 VAL 20 24.129 3.059 -2.008 174 H GLN 21 HN GLN 21 24.638 3.575 -5.640 175 HA GLN 21 HA GLN 21 27.509 4.161 -6.076 176 HB2 GLN 21 HB2 GLN 21 25.281 4.650 -8.077 177 HB3 GLN 21 HB1 GLN 21 26.958 5.157 -8.259 178 HG2 GLN 21 HG2 GLN 21 27.681 2.790 -8.177 179 HG3 GLN 21 HG1 GLN 21 26.005 2.286 -7.999 180 HE21 GLN 21 HE21 GLN 21 28.377 2.574 -10.301 181 HE22 GLN 21 HE22 GLN 21 27.405 2.789 -11.675 182 H VAL 22 HN VAL 22 28.018 6.126 -5.143 183 HA VAL 22 HA VAL 22 26.005 8.248 -5.141 184 HB VAL 22 HB VAL 22 26.217 8.571 -2.619 185 HG11 VAL 22 HG11 VAL 22 24.338 7.280 -3.804 186 HG12 VAL 22 HG12 VAL 22 24.584 6.918 -2.096 187 HG13 VAL 22 HG13 VAL 22 25.191 5.821 -3.325 188 HG21 VAL 22 HG21 VAL 22 28.309 7.373 -2.282 189 HG22 VAL 22 HG22 VAL 22 27.596 5.882 -2.897 190 HG23 VAL 22 HG23 VAL 22 27.037 6.561 -1.371 191 HA DPR 23 HA PRO 23 29.622 10.760 -3.730 192 HB2 DPR 23 HB2 PRO 23 28.265 12.525 -3.135 193 HB3 DPR 23 HB1 PRO 23 28.785 13.170 -4.706 194 HG2 DPR 23 HG2 PRO 23 26.218 12.854 -4.166 195 HG3 DPR 23 HG1 PRO 23 26.862 12.472 -5.773 196 HD2 DPR 23 HD2 PRO 23 25.997 10.604 -3.601 197 HD3 DPR 23 HD1 PRO 23 25.895 10.419 -5.367 198 HAC 4G6 24 HAC 4G6 24 33.230 11.719 -7.936 199 HAB 4G6 24 HAB 4G6 24 31.978 12.596 -7.024 200 HAA 4G6 24 HAA 4G6 24 33.301 11.779 -6.158 201 HAF 4G6 24 HAF 4G6 24 31.503 9.546 -8.876 202 HAD 4G6 24 HAD 4G6 24 30.991 11.248 -8.778 203 HAE 4G6 24 HAE 4G6 24 29.999 9.973 -8.030 204 HAL 4G6 24 HAL 4G6 24 31.193 10.113 -4.925 205 HAH 4G6 24 HAH 4G6 24 33.328 9.369 -5.884 206 HAG 4G6 24 HAG 4G6 24 33.413 9.229 -7.653 207 HAI 4G6 24 HAI 4G6 24 31.381 7.803 -5.955 208 H LYS 25 HN LYS 25 32.207 4.294 -6.469 209 HA LYS 25 HA LYS 25 31.523 5.246 -8.383 210 HB2 LYS 25 HB2 LYS 25 29.221 5.226 -7.578 211 HB3 LYS 25 HB1 LYS 25 29.501 6.692 -6.682 212 HG2 LYS 25 HG2 LYS 25 28.310 7.168 -8.771 213 HG3 LYS 25 HG1 LYS 25 29.870 7.958 -8.713 214 HD2 LYS 25 HD2 LYS 25 29.441 7.041 -10.933 215 HD3 LYS 25 HD1 LYS 25 30.818 6.250 -10.214 216 HE2 LYS 25 HE2 LYS 25 28.012 5.113 -10.313 217 HE3 LYS 25 HE1 LYS 25 29.297 4.687 -11.426 218 HZ1 LYS 25 HZ1 LYS 25 29.486 3.011 -9.943 219 HZ2 LYS 25 HZ2 LYS 25 28.929 3.921 -8.630 220 HZ3 LYS 25 HZ3 LYS 25 30.516 4.115 -9.188 221 H GLU 26 HN GLU 26 30.969 2.858 -4.780 222 HA GLU 26 HA GLU 26 31.775 5.113 -3.069 223 HB2 GLU 26 HB2 GLU 26 33.456 3.814 -5.222 224 HB3 GLU 26 HB1 GLU 26 33.907 5.227 -4.279 225 HG2 GLU 26 HG2 GLU 26 33.387 2.467 -3.135 226 HG3 GLU 26 HG1 GLU 26 34.980 3.140 -3.450 227 H PHE 27 HN PHE 27 31.657 0.513 -3.269 228 HA PHE 27 HA PHE 27 29.047 1.702 -3.646 229 HB2 PHE 27 HB2 PHE 27 28.597 1.986 -1.255 230 HB3 PHE 27 HB1 PHE 27 28.617 0.297 -1.720 231 HD1 PHE 27 HD1 PHE 27 28.716 0.544 0.969 232 HD2 PHE 27 HD2 PHE 27 32.054 1.162 -1.674 233 HE1 PHE 27 HE1 PHE 27 30.283 0.051 2.804 234 HE2 PHE 27 HE2 PHE 27 33.593 0.677 0.166 235 HZ PHE 27 HZ PHE 27 32.707 0.123 2.394 236 H LYS 28 HN LYS 28 30.098 -3.229 -5.227 237 HA LYS 28 HA LYS 28 32.071 -1.547 -3.925 238 HB2 LYS 28 HB2 LYS 28 30.832 -1.337 -6.667 239 HB3 LYS 28 HB1 LYS 28 31.984 -0.191 -6.007 240 HG2 LYS 28 HG2 LYS 28 33.135 -1.741 -7.493 241 HG3 LYS 28 HG1 LYS 28 33.672 -2.006 -5.843 242 HD2 LYS 28 HD2 LYS 28 32.245 -3.990 -5.672 243 HD3 LYS 28 HD1 LYS 28 31.600 -3.695 -7.286 244 HE2 LYS 28 HE2 LYS 28 33.879 -3.954 -8.208 245 HE3 LYS 28 HE1 LYS 28 34.498 -4.245 -6.583 246 HZ1 LYS 28 HZ1 LYS 28 33.314 -6.072 -8.357 247 HZ2 LYS 28 HZ2 LYS 28 32.335 -5.949 -6.976 248 HZ3 LYS 28 HZ3 LYS 28 33.975 -6.365 -6.823 249 H HIS 29 HN HIS 29 31.584 -6.633 -3.007 250 HA HIS 29 HA HIS 29 29.565 -5.086 -4.456 251 HB2 HIS 29 HB2 HIS 29 28.716 -6.265 -2.572 252 HB3 HIS 29 HB1 HIS 29 29.980 -5.627 -1.521 253 HD2 HIS 29 HD2 HIS 29 28.722 -3.768 0.043 254 HE1 HIS 29 HE1 HIS 29 26.300 -1.993 -2.900 255 HE2 HIS 29 HE2 HIS 29 27.020 -1.861 -0.472 256 H1 ACE 30 HA2 ACE 30 33.474 -7.432 -4.832 257 H2 ACE 30 HA3 ACE 30 32.490 -8.230 -6.060 258 H3 ACE 30 HA1 ACE 30 32.210 -8.564 -4.351
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