NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587658 | 2mla | 19810 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H1 VAL 1 -3.422 -8.315 -3.729 2 H2 VAL 1 H2 VAL 1 -4.606 -7.641 -2.730 3 H3 VAL 1 H3 VAL 1 -2.996 -7.134 -2.589 4 HA VAL 1 HA VAL 1 -4.704 -6.755 -4.981 5 HB VAL 1 HB VAL 1 -3.898 -4.791 -2.835 6 HG11 VAL 1 HG11 VAL 1 -3.703 -3.761 -5.047 7 HG12 VAL 1 HG12 VAL 1 -5.080 -3.104 -4.162 8 HG13 VAL 1 HG13 VAL 1 -5.339 -4.289 -5.442 9 HG21 VAL 1 HG21 VAL 1 -6.349 -4.505 -2.631 10 HG22 VAL 1 HG22 VAL 1 -5.801 -6.124 -2.210 11 HG23 VAL 1 HG23 VAL 1 -6.568 -5.828 -3.770 12 H GLY 2 H GLY 2 -1.828 -5.464 -3.300 13 HA2 GLY 2 HA2 GLY 2 0.300 -5.104 -4.101 14 HA3 GLY 2 HA3 GLY 2 -0.160 -5.933 -5.578 15 H ILE 3 H ILE 3 0.953 -3.121 -4.459 16 HA ILE 3 HA ILE 3 -0.131 -1.677 -6.780 17 HB ILE 3 HB ILE 3 0.329 0.447 -5.510 18 HG12 ILE 3 HG12 ILE 3 0.494 -1.440 -3.148 19 HG13 ILE 3 HG13 ILE 3 1.830 -0.501 -3.805 20 HG21 ILE 3 HG21 ILE 3 -1.734 0.294 -4.120 21 HG22 ILE 3 HG22 ILE 3 -1.771 -1.437 -4.456 22 HG23 ILE 3 HG23 ILE 3 -1.932 -0.280 -5.777 23 HD11 ILE 3 HD11 ILE 3 0.817 1.542 -3.118 24 HD12 ILE 3 HD12 ILE 3 0.808 0.439 -1.745 25 HD13 ILE 3 HD13 ILE 3 -0.671 0.715 -2.664 26 H ASN 4 H ASN 4 1.425 -0.045 -7.612 27 HA ASN 4 HA ASN 4 3.993 -1.333 -7.894 28 HB2 ASN 4 HB2 ASN 4 2.727 -0.346 -9.828 29 HB3 ASN 4 HB3 ASN 4 3.036 1.248 -9.154 30 HD21 ASN 4 HD21 ASN 4 5.061 2.150 -9.355 31 HD22 ASN 4 HD22 ASN 4 6.311 1.457 -10.333 32 H VAL 5 H VAL 5 4.222 -0.875 -5.484 33 HA VAL 5 HA VAL 5 5.883 1.515 -5.168 34 HB VAL 5 HB VAL 5 3.878 0.666 -3.079 35 HG11 VAL 5 HG11 VAL 5 4.411 2.740 -1.968 36 HG12 VAL 5 HG12 VAL 5 5.534 3.170 -3.258 37 HG13 VAL 5 HG13 VAL 5 5.880 1.792 -2.212 38 HG21 VAL 5 HG21 VAL 5 2.656 2.689 -3.614 39 HG22 VAL 5 HG22 VAL 5 2.656 1.542 -4.950 40 HG23 VAL 5 HG23 VAL 5 3.704 2.963 -5.000 41 H LYS 6 H LYS 6 7.257 1.357 -3.292 42 HA LYS 6 HA LYS 6 7.987 -1.438 -2.717 43 HB2 LYS 6 HB2 LYS 6 9.761 1.004 -2.903 44 HB3 LYS 6 HB3 LYS 6 10.306 -0.598 -2.424 45 HG2 LYS 6 HG2 LYS 6 9.738 -1.482 -4.599 46 HG3 LYS 6 HG3 LYS 6 9.080 0.080 -5.088 47 HD2 LYS 6 HD2 LYS 6 11.292 1.088 -4.850 48 HD3 LYS 6 HD3 LYS 6 11.949 -0.470 -4.344 49 HE2 LYS 6 HE2 LYS 6 11.411 -1.435 -6.496 50 HE3 LYS 6 HE3 LYS 6 10.640 0.067 -7.005 51 HZ1 LYS 6 HZ1 LYS 6 13.514 -0.238 -6.332 52 HZ2 LYS 6 HZ2 LYS 6 12.766 1.179 -6.863 53 HZ3 LYS 6 HZ3 LYS 6 12.880 -0.154 -7.897 54 H CYS 7 H CYS 7 7.962 -2.055 -0.671 55 HA CYS 7 HA CYS 7 6.962 -0.382 1.370 56 HB2 CYS 7 HB2 CYS 7 6.486 -2.656 1.652 57 HB3 CYS 7 HB3 CYS 7 8.152 -3.141 1.355 58 H LYS 8 H LYS 8 8.342 1.420 1.688 59 HA LYS 8 HA LYS 8 11.040 0.891 2.629 60 HB2 LYS 8 HB2 LYS 8 9.470 3.468 2.418 61 HB3 LYS 8 HB3 LYS 8 11.146 3.356 2.929 62 HG2 LYS 8 HG2 LYS 8 10.125 2.486 0.234 63 HG3 LYS 8 HG3 LYS 8 10.857 4.055 0.574 64 HD2 LYS 8 HD2 LYS 8 12.900 2.872 1.342 65 HD3 LYS 8 HD3 LYS 8 12.164 1.351 0.838 66 HE2 LYS 8 HE2 LYS 8 12.046 2.137 -1.451 67 HE3 LYS 8 HE3 LYS 8 12.689 3.705 -0.969 68 HZ1 LYS 8 HZ1 LYS 8 14.733 2.566 -0.268 69 HZ2 LYS 8 HZ2 LYS 8 14.423 2.377 -1.920 70 HZ3 LYS 8 HZ3 LYS 8 14.113 1.103 -0.853 71 H HIS 9 H HIS 9 7.865 1.681 3.818 72 HA HIS 9 HA HIS 9 8.662 1.115 6.550 73 HB2 HIS 9 HB2 HIS 9 7.236 3.702 5.866 74 HB3 HIS 9 HB3 HIS 9 7.699 3.154 7.471 75 HD1 HIS 9 HD1 HIS 9 9.019 4.793 4.412 76 HD2 HIS 9 HD2 HIS 9 10.448 3.470 8.084 77 HE1 HIS 9 HE1 HIS 9 11.347 5.694 4.587 78 HE2 HIS 9 HE2 HIS 9 12.220 4.856 6.797 79 H SER 10 H SER 10 7.025 0.061 7.603 80 HA SER 10 HA SER 10 4.733 -0.672 6.072 81 HB2 SER 10 HB2 SER 10 4.085 -1.905 8.175 82 HB3 SER 10 HB3 SER 10 5.664 -2.316 7.506 83 HG SER 10 HG SER 10 5.255 -0.437 9.600 84 H GLY 11 H GLY 11 3.637 1.154 5.632 85 HA2 GLY 11 HA2 GLY 11 1.497 2.087 6.852 86 HA3 GLY 11 HA3 GLY 11 2.748 2.904 7.786 87 H GLN 12 H GLN 12 4.516 2.969 5.431 88 HA GLN 12 HA GLN 12 3.773 5.470 4.328 89 HB2 GLN 12 HB2 GLN 12 6.100 4.868 4.481 90 HB3 GLN 12 HB3 GLN 12 5.845 3.427 3.510 91 HG2 GLN 12 HG2 GLN 12 5.305 4.850 1.586 92 HG3 GLN 12 HG3 GLN 12 5.625 6.274 2.577 93 HE21 GLN 12 HE21 GLN 12 7.720 6.788 3.128 94 HE22 GLN 12 HE22 GLN 12 9.087 6.074 2.335 95 H CYS 13 H CYS 13 3.269 2.163 3.408 96 HA CYS 13 HA CYS 13 2.682 2.515 0.685 97 HB2 CYS 13 HB2 CYS 13 1.626 0.403 2.573 98 HB3 CYS 13 HB3 CYS 13 1.643 0.306 0.816 99 H LEU 14 H LEU 14 0.956 3.496 3.423 100 HA LEU 14 HA LEU 14 -1.705 3.317 2.473 101 HB2 LEU 14 HB2 LEU 14 -0.291 4.752 4.628 102 HB3 LEU 14 HB3 LEU 14 -1.792 5.467 4.104 103 HG LEU 14 HG LEU 14 -2.067 4.035 6.075 104 HD11 LEU 14 HD11 LEU 14 -3.367 3.116 3.541 105 HD12 LEU 14 HD12 LEU 14 -3.963 4.322 4.680 106 HD13 LEU 14 HD13 LEU 14 -3.897 2.622 5.147 107 HD21 LEU 14 HD21 LEU 14 -1.354 1.727 4.279 108 HD22 LEU 14 HD22 LEU 14 -1.762 1.673 5.996 109 HD23 LEU 14 HD23 LEU 14 -0.254 2.424 5.470 110 H LYS 15 H LYS 15 0.847 5.687 2.101 111 HA LYS 15 HA LYS 15 -0.698 7.858 1.255 112 HB2 LYS 15 HB2 LYS 15 2.177 7.227 0.582 113 HB3 LYS 15 HB3 LYS 15 1.406 8.793 0.382 114 HG2 LYS 15 HG2 LYS 15 1.087 8.985 2.764 115 HG3 LYS 15 HG3 LYS 15 1.727 7.359 3.011 116 HD2 LYS 15 HD2 LYS 15 3.889 8.092 2.099 117 HD3 LYS 15 HD3 LYS 15 3.242 9.721 1.901 118 HE2 LYS 15 HE2 LYS 15 2.863 9.859 4.313 119 HE3 LYS 15 HE3 LYS 15 3.510 8.232 4.510 120 HZ1 LYS 15 HZ1 LYS 15 5.163 9.895 5.028 121 HZ2 LYS 15 HZ2 LYS 15 5.006 10.587 3.495 122 HZ3 LYS 15 HZ3 LYS 15 5.632 9.023 3.657 123 HA PRO 16 HA PRO 16 -0.180 6.482 -3.278 124 HB2 PRO 16 HB2 PRO 16 0.890 4.091 -3.883 125 HB3 PRO 16 HB3 PRO 16 1.887 5.531 -3.648 126 HG2 PRO 16 HG2 PRO 16 1.342 3.272 -1.766 127 HG3 PRO 16 HG3 PRO 16 2.864 4.124 -2.086 128 HD2 PRO 16 HD2 PRO 16 1.258 4.627 0.072 129 HD3 PRO 16 HD3 PRO 16 2.358 5.818 -0.646 130 H CYS 17 H CYS 17 -1.140 4.351 -0.768 131 HA CYS 17 HA CYS 17 -2.697 2.566 -2.371 132 HB2 CYS 17 HB2 CYS 17 -1.719 2.058 -0.078 133 HB3 CYS 17 HB3 CYS 17 -3.032 3.026 0.588 134 H LYS 18 H LYS 18 -3.353 5.522 -0.558 135 HA LYS 18 HA LYS 18 -6.163 5.455 -0.849 136 HB2 LYS 18 HB2 LYS 18 -6.102 7.835 -0.353 137 HB3 LYS 18 HB3 LYS 18 -5.024 6.965 0.725 138 HG2 LYS 18 HG2 LYS 18 -3.111 7.744 -0.384 139 HG3 LYS 18 HG3 LYS 18 -4.045 8.289 -1.778 140 HD2 LYS 18 HD2 LYS 18 -3.324 10.172 -0.386 141 HD3 LYS 18 HD3 LYS 18 -5.080 10.028 -0.405 142 HE2 LYS 18 HE2 LYS 18 -4.248 10.508 1.839 143 HE3 LYS 18 HE3 LYS 18 -5.031 8.931 1.766 144 HZ1 LYS 18 HZ1 LYS 18 -2.962 8.889 3.033 145 HZ2 LYS 18 HZ2 LYS 18 -2.098 9.382 1.668 146 HZ3 LYS 18 HZ3 LYS 18 -2.879 7.882 1.679 147 H LYS 19 H LYS 19 -3.604 6.070 -3.040 148 HA LYS 19 HA LYS 19 -5.249 7.485 -4.965 149 HB2 LYS 19 HB2 LYS 19 -2.461 6.334 -5.241 150 HB3 LYS 19 HB3 LYS 19 -3.258 7.369 -6.416 151 HG2 LYS 19 HG2 LYS 19 -2.438 8.132 -3.621 152 HG3 LYS 19 HG3 LYS 19 -1.672 8.645 -5.125 153 HD2 LYS 19 HD2 LYS 19 -3.800 9.733 -5.782 154 HD3 LYS 19 HD3 LYS 19 -4.467 9.303 -4.206 155 HE2 LYS 19 HE2 LYS 19 -3.716 11.576 -4.117 156 HE3 LYS 19 HE3 LYS 19 -2.628 10.592 -3.142 157 HZ1 LYS 19 HZ1 LYS 19 -1.422 12.172 -4.515 158 HZ2 LYS 19 HZ2 LYS 19 -2.100 11.512 -5.913 159 HZ3 LYS 19 HZ3 LYS 19 -1.051 10.586 -4.967 160 H ALA 20 H ALA 20 -4.421 4.336 -4.057 161 HA ALA 20 HA ALA 20 -5.144 3.053 -6.541 162 HB1 ALA 20 HB1 ALA 20 -4.663 1.912 -3.785 163 HB2 ALA 20 HB2 ALA 20 -3.480 2.018 -5.093 164 HB3 ALA 20 HB3 ALA 20 -4.887 0.966 -5.260 165 H GLY 21 H GLY 21 -6.643 4.052 -3.592 166 HA2 GLY 21 HA2 GLY 21 -8.952 4.389 -3.321 167 HA3 GLY 21 HA3 GLY 21 -9.249 3.293 -4.663 168 H MET 22 H MET 22 -6.994 2.243 -2.313 169 HA MET 22 HA MET 22 -8.931 0.215 -1.477 170 HB2 MET 22 HB2 MET 22 -5.915 0.257 -1.406 171 HB3 MET 22 HB3 MET 22 -6.880 -1.005 -0.661 172 HG2 MET 22 HG2 MET 22 -6.857 -0.287 -3.580 173 HG3 MET 22 HG3 MET 22 -6.087 -1.691 -2.840 174 HE1 MET 22 HE1 MET 22 -7.390 -3.189 -4.703 175 HE2 MET 22 HE2 MET 22 -8.163 -1.730 -5.322 176 HE3 MET 22 HE3 MET 22 -9.140 -3.139 -4.912 177 H ARG 23 H ARG 23 -8.209 -0.687 0.851 178 HA ARG 23 HA ARG 23 -9.060 1.471 2.549 179 HB2 ARG 23 HB2 ARG 23 -9.934 -0.894 2.647 180 HB3 ARG 23 HB3 ARG 23 -8.396 -1.360 3.345 181 HG2 ARG 23 HG2 ARG 23 -8.832 -0.341 5.339 182 HG3 ARG 23 HG3 ARG 23 -9.935 0.833 4.621 183 HD2 ARG 23 HD2 ARG 23 -10.932 -1.041 6.076 184 HD3 ARG 23 HD3 ARG 23 -11.695 -0.695 4.527 185 HE ARG 23 HE ARG 23 -10.145 -2.628 3.750 186 HH11 ARG 23 HH11 ARG 23 -11.816 -2.441 6.823 187 HH12 ARG 23 HH12 ARG 23 -12.035 -4.158 6.944 188 HH21 ARG 23 HH21 ARG 23 -10.454 -4.867 3.896 189 HH22 ARG 23 HH22 ARG 23 -11.256 -5.538 5.285 190 H PHE 24 H PHE 24 -6.493 -0.937 3.196 191 HA PHE 24 HA PHE 24 -4.764 1.301 3.998 192 HB2 PHE 24 HB2 PHE 24 -4.054 -1.216 5.285 193 HB3 PHE 24 HB3 PHE 24 -4.257 0.381 5.994 194 HD1 PHE 24 HD1 PHE 24 -5.899 -2.715 5.065 195 HD2 PHE 24 HD2 PHE 24 -6.290 0.958 7.140 196 HE1 PHE 24 HE1 PHE 24 -7.943 -3.549 6.095 197 HE2 PHE 24 HE2 PHE 24 -8.342 0.130 8.223 198 HZ PHE 24 HZ PHE 24 -9.174 -2.134 7.706 199 H GLY 25 H GLY 25 -2.424 0.462 4.142 200 HA2 GLY 25 HA2 GLY 25 -1.830 -1.326 1.894 201 HA3 GLY 25 HA3 GLY 25 -1.060 0.249 2.002 202 H LYS 26 H LYS 26 -0.942 -2.992 2.929 203 HA LYS 26 HA LYS 26 0.810 -2.544 5.215 204 HB2 LYS 26 HB2 LYS 26 0.691 -4.975 5.506 205 HB3 LYS 26 HB3 LYS 26 -0.916 -4.270 5.402 206 HG2 LYS 26 HG2 LYS 26 -1.037 -4.956 3.042 207 HG3 LYS 26 HG3 LYS 26 0.545 -5.721 3.205 208 HD2 LYS 26 HD2 LYS 26 -0.325 -7.231 4.883 209 HD3 LYS 26 HD3 LYS 26 -1.896 -6.429 4.830 210 HE2 LYS 26 HE2 LYS 26 -2.073 -7.061 2.437 211 HE3 LYS 26 HE3 LYS 26 -0.567 -7.961 2.600 212 HZ1 LYS 26 HZ1 LYS 26 -3.084 -8.493 4.080 213 HZ2 LYS 26 HZ2 LYS 26 -1.637 -9.342 4.280 214 HZ3 LYS 26 HZ3 LYS 26 -2.461 -9.417 2.808 215 H CYS 27 H CYS 27 2.840 -3.804 5.330 216 HA CYS 27 HA CYS 27 4.306 -3.497 2.858 217 HB2 CYS 27 HB2 CYS 27 5.012 -3.835 5.712 218 HB3 CYS 27 HB3 CYS 27 6.162 -4.459 4.534 219 H ILE 28 H ILE 28 4.846 -5.018 1.526 220 HA ILE 28 HA ILE 28 4.582 -7.821 2.357 221 HB ILE 28 HB ILE 28 3.139 -6.503 0.382 222 HG12 ILE 28 HG12 ILE 28 2.267 -8.697 -0.180 223 HG13 ILE 28 HG13 ILE 28 3.655 -9.474 0.577 224 HG21 ILE 28 HG21 ILE 28 5.227 -8.209 -0.965 225 HG22 ILE 28 HG22 ILE 28 5.044 -6.458 -1.112 226 HG23 ILE 28 HG23 ILE 28 3.788 -7.529 -1.736 227 HD11 ILE 28 HD11 ILE 28 1.695 -7.731 2.059 228 HD12 ILE 28 HD12 ILE 28 2.946 -8.772 2.744 229 HD13 ILE 28 HD13 ILE 28 1.557 -9.486 1.927 230 H ASN 29 H ASN 29 5.942 -9.195 0.617 231 HA ASN 29 HA ASN 29 8.593 -8.914 1.120 232 HB2 ASN 29 HB2 ASN 29 9.005 -10.361 -0.860 233 HB3 ASN 29 HB3 ASN 29 7.701 -10.929 0.169 234 HD21 ASN 29 HD21 ASN 29 5.583 -10.845 -0.571 235 HD22 ASN 29 HD22 ASN 29 5.203 -10.640 -2.248 236 H GLY 30 H GLY 30 9.184 -6.733 1.020 237 HA2 GLY 30 HA2 GLY 30 10.464 -5.078 0.069 238 HA3 GLY 30 HA3 GLY 30 10.479 -6.003 -1.421 239 H LYS 31 H LYS 31 7.298 -5.802 -0.841 240 HA LYS 31 HA LYS 31 7.106 -3.310 -2.412 241 HB2 LYS 31 HB2 LYS 31 5.544 -5.865 -2.827 242 HB3 LYS 31 HB3 LYS 31 5.277 -4.363 -3.697 243 HG2 LYS 31 HG2 LYS 31 7.494 -4.494 -4.667 244 HG3 LYS 31 HG3 LYS 31 7.824 -5.966 -3.751 245 HD2 LYS 31 HD2 LYS 31 6.052 -7.131 -4.928 246 HD3 LYS 31 HD3 LYS 31 5.626 -5.652 -5.794 247 HE2 LYS 31 HE2 LYS 31 7.790 -5.629 -6.880 248 HE3 LYS 31 HE3 LYS 31 8.297 -7.041 -5.956 249 HZ1 LYS 31 HZ1 LYS 31 6.618 -8.349 -7.060 250 HZ2 LYS 31 HZ2 LYS 31 7.603 -7.600 -8.212 251 HZ3 LYS 31 HZ3 LYS 31 6.059 -6.993 -7.904 252 H CYS 32 H CYS 32 4.677 -2.686 -2.593 253 HA CYS 32 HA CYS 32 3.554 -2.715 0.122 254 HB2 CYS 32 HB2 CYS 32 3.370 -0.759 -2.150 255 HB3 CYS 32 HB3 CYS 32 2.260 -0.679 -0.797 256 H ASP 33 H ASP 33 1.896 -4.019 0.399 257 HA ASP 33 HA ASP 33 0.070 -4.464 -1.880 258 HB2 ASP 33 HB2 ASP 33 1.081 -6.544 -1.174 259 HB3 ASP 33 HB3 ASP 33 0.614 -6.250 0.498 260 H CYS 34 H CYS 34 -1.948 -3.786 -1.721 261 HA CYS 34 HA CYS 34 -2.737 -2.454 0.737 262 HB2 CYS 34 HB2 CYS 34 -3.828 -2.401 -2.061 263 HB3 CYS 34 HB3 CYS 34 -4.682 -1.667 -0.712 264 H THR 35 H THR 35 -4.760 -2.725 1.709 265 HA THR 35 HA THR 35 -5.977 -5.368 1.276 266 HB THR 35 HB THR 35 -6.292 -3.448 3.573 267 HG1 THR 35 HG1 THR 35 -4.749 -5.835 3.358 268 HG21 THR 35 HG21 THR 35 -8.226 -4.915 3.257 269 HG22 THR 35 HG22 THR 35 -7.351 -5.297 4.744 270 HG23 THR 35 HG23 THR 35 -7.157 -6.322 3.321 271 HA PRO 36 HA PRO 36 -9.342 -2.942 -0.418 272 HB2 PRO 36 HB2 PRO 36 -10.815 -4.977 -1.319 273 HB3 PRO 36 HB3 PRO 36 -9.316 -4.511 -2.124 274 HG2 PRO 36 HG2 PRO 36 -9.841 -6.780 -0.253 275 HG3 PRO 36 HG3 PRO 36 -8.829 -6.736 -1.708 276 HD2 PRO 36 HD2 PRO 36 -7.886 -6.513 0.886 277 HD3 PRO 36 HD3 PRO 36 -7.025 -5.948 -0.559 278 H LYS 37 H LYS 37 -11.806 -3.112 -0.173 279 HA LYS 37 HA LYS 37 -12.407 -3.593 2.622 280 HB2 LYS 37 HB2 LYS 37 -14.605 -2.540 2.079 281 HB3 LYS 37 HB3 LYS 37 -13.223 -1.509 1.749 282 HG2 LYS 37 HG2 LYS 37 -13.392 -2.084 -0.636 283 HG3 LYS 37 HG3 LYS 37 -14.816 -3.062 -0.280 284 HD2 LYS 37 HD2 LYS 37 -15.962 -1.070 0.569 285 HD3 LYS 37 HD3 LYS 37 -14.540 -0.095 0.191 286 HE2 LYS 37 HE2 LYS 37 -16.251 -1.614 -1.774 287 HE3 LYS 37 HE3 LYS 37 -16.213 0.134 -1.555 288 HZ1 LYS 37 HZ1 LYS 37 -13.959 -1.553 -2.497 289 HZ2 LYS 37 HZ2 LYS 37 -13.888 0.116 -2.255 290 HZ3 LYS 37 HZ3 LYS 37 -14.893 -0.521 -3.452 Start of MODEL 2 1 H1 VAL 1 H1 VAL 1 -5.379 -8.262 -5.793 2 H2 VAL 1 H2 VAL 1 -4.120 -8.499 -4.691 3 H3 VAL 1 H3 VAL 1 -3.783 -8.359 -6.339 4 HA VAL 1 HA VAL 1 -4.508 -6.090 -6.353 5 HB VAL 1 HB VAL 1 -5.020 -4.934 -4.253 6 HG11 VAL 1 HG11 VAL 1 -7.276 -5.748 -3.999 7 HG12 VAL 1 HG12 VAL 1 -6.840 -7.290 -4.728 8 HG13 VAL 1 HG13 VAL 1 -6.817 -5.818 -5.697 9 HG21 VAL 1 HG21 VAL 1 -3.823 -6.506 -2.779 10 HG22 VAL 1 HG22 VAL 1 -5.112 -7.685 -3.025 11 HG23 VAL 1 HG23 VAL 1 -5.457 -6.152 -2.220 12 H GLY 2 H GLY 2 -3.257 -4.247 -5.063 13 HA2 GLY 2 HA2 GLY 2 -1.215 -4.042 -3.597 14 HA3 GLY 2 HA3 GLY 2 -0.534 -5.301 -4.620 15 H ILE 3 H ILE 3 0.386 -2.541 -4.149 16 HA ILE 3 HA ILE 3 0.063 -1.454 -6.858 17 HB ILE 3 HB ILE 3 0.797 0.729 -5.836 18 HG12 ILE 3 HG12 ILE 3 0.245 -0.772 -3.268 19 HG13 ILE 3 HG13 ILE 3 1.809 -0.168 -3.799 20 HG21 ILE 3 HG21 ILE 3 -1.428 1.181 -4.805 21 HG22 ILE 3 HG22 ILE 3 -1.778 -0.544 -4.931 22 HG23 ILE 3 HG23 ILE 3 -1.502 0.410 -6.390 23 HD11 ILE 3 HD11 ILE 3 1.077 2.093 -3.567 24 HD12 ILE 3 HD12 ILE 3 0.724 1.226 -2.073 25 HD13 ILE 3 HD13 ILE 3 -0.569 1.573 -3.219 26 H ASN 4 H ASN 4 1.887 -0.490 -7.827 27 HA ASN 4 HA ASN 4 4.258 -2.063 -7.416 28 HB2 ASN 4 HB2 ASN 4 5.102 -0.704 -9.423 29 HB3 ASN 4 HB3 ASN 4 3.747 -1.789 -9.685 30 HD21 ASN 4 HD21 ASN 4 3.601 1.398 -8.159 31 HD22 ASN 4 HD22 ASN 4 2.621 2.124 -9.383 32 H VAL 5 H VAL 5 4.398 -1.038 -5.211 33 HA VAL 5 HA VAL 5 6.255 1.244 -5.349 34 HB VAL 5 HB VAL 5 4.194 0.817 -3.178 35 HG11 VAL 5 HG11 VAL 5 4.886 2.916 -2.281 36 HG12 VAL 5 HG12 VAL 5 5.988 3.186 -3.632 37 HG13 VAL 5 HG13 VAL 5 6.314 1.898 -2.472 38 HG21 VAL 5 HG21 VAL 5 3.013 2.726 -4.027 39 HG22 VAL 5 HG22 VAL 5 3.179 1.530 -5.315 40 HG23 VAL 5 HG23 VAL 5 4.219 2.955 -5.294 41 H LYS 6 H LYS 6 8.079 0.994 -4.138 42 HA LYS 6 HA LYS 6 8.596 -1.561 -2.926 43 HB2 LYS 6 HB2 LYS 6 10.248 0.970 -3.026 44 HB3 LYS 6 HB3 LYS 6 10.815 -0.566 -2.390 45 HG2 LYS 6 HG2 LYS 6 10.565 -1.591 -4.573 46 HG3 LYS 6 HG3 LYS 6 9.930 -0.083 -5.227 47 HD2 LYS 6 HD2 LYS 6 12.620 -0.142 -3.915 48 HD3 LYS 6 HD3 LYS 6 12.436 -0.692 -5.578 49 HE2 LYS 6 HE2 LYS 6 13.088 1.612 -5.613 50 HE3 LYS 6 HE3 LYS 6 11.409 1.505 -6.130 51 HZ1 LYS 6 HZ1 LYS 6 12.274 2.225 -3.385 52 HZ2 LYS 6 HZ2 LYS 6 10.694 2.266 -3.995 53 HZ3 LYS 6 HZ3 LYS 6 11.853 3.341 -4.581 54 H CYS 7 H CYS 7 7.835 -2.043 -0.971 55 HA CYS 7 HA CYS 7 6.929 -0.011 0.817 56 HB2 CYS 7 HB2 CYS 7 5.874 -2.278 0.642 57 HB3 CYS 7 HB3 CYS 7 7.285 -2.932 1.475 58 H LYS 8 H LYS 8 8.509 1.250 1.730 59 HA LYS 8 HA LYS 8 10.722 -0.026 3.107 60 HB2 LYS 8 HB2 LYS 8 9.826 2.863 2.962 61 HB3 LYS 8 HB3 LYS 8 11.255 2.310 3.822 62 HG2 LYS 8 HG2 LYS 8 12.272 1.580 1.768 63 HG3 LYS 8 HG3 LYS 8 10.806 1.965 0.866 64 HD2 LYS 8 HD2 LYS 8 12.471 3.713 0.566 65 HD3 LYS 8 HD3 LYS 8 11.079 4.335 1.451 66 HE2 LYS 8 HE2 LYS 8 13.131 5.149 2.444 67 HE3 LYS 8 HE3 LYS 8 12.312 4.055 3.556 68 HZ1 LYS 8 HZ1 LYS 8 14.616 3.346 1.819 69 HZ2 LYS 8 HZ2 LYS 8 13.836 2.303 2.899 70 HZ3 LYS 8 HZ3 LYS 8 14.688 3.637 3.484 71 H HIS 9 H HIS 9 7.614 1.404 3.696 72 HA HIS 9 HA HIS 9 7.504 0.300 6.380 73 HB2 HIS 9 HB2 HIS 9 6.915 3.241 5.910 74 HB3 HIS 9 HB3 HIS 9 6.843 2.384 7.443 75 HD1 HIS 9 HD1 HIS 9 9.165 4.111 5.144 76 HD2 HIS 9 HD2 HIS 9 9.386 1.800 8.589 77 HE1 HIS 9 HE1 HIS 9 11.533 4.296 5.920 78 HE2 HIS 9 HE2 HIS 9 11.689 2.756 7.907 79 H SER 10 H SER 10 5.343 -0.090 7.014 80 HA SER 10 HA SER 10 3.453 -0.389 4.954 81 HB2 SER 10 HB2 SER 10 1.842 -0.772 6.899 82 HB3 SER 10 HB3 SER 10 3.258 -1.820 6.842 83 HG SER 10 HG SER 10 2.900 -0.978 8.940 84 H GLY 11 H GLY 11 3.903 2.100 7.411 85 HA2 GLY 11 HA2 GLY 11 1.578 3.601 6.869 86 HA3 GLY 11 HA3 GLY 11 3.041 4.215 7.624 87 H GLN 12 H GLN 12 4.605 3.363 5.195 88 HA GLN 12 HA GLN 12 4.397 5.792 3.716 89 HB2 GLN 12 HB2 GLN 12 6.543 4.625 3.917 90 HB3 GLN 12 HB3 GLN 12 5.881 3.226 3.087 91 HG2 GLN 12 HG2 GLN 12 5.485 4.743 1.110 92 HG3 GLN 12 HG3 GLN 12 6.454 5.947 1.955 93 HE21 GLN 12 HE21 GLN 12 6.463 2.886 0.329 94 HE22 GLN 12 HE22 GLN 12 8.177 2.767 0.119 95 H CYS 13 H CYS 13 3.347 2.480 3.250 96 HA CYS 13 HA CYS 13 2.654 2.752 0.514 97 HB2 CYS 13 HB2 CYS 13 1.793 0.696 2.551 98 HB3 CYS 13 HB3 CYS 13 1.580 0.556 0.807 99 H LEU 14 H LEU 14 1.068 3.682 3.387 100 HA LEU 14 HA LEU 14 -1.619 3.553 2.515 101 HB2 LEU 14 HB2 LEU 14 -0.130 4.838 4.690 102 HB3 LEU 14 HB3 LEU 14 -1.567 5.701 4.205 103 HG LEU 14 HG LEU 14 -1.989 4.215 6.100 104 HD11 LEU 14 HD11 LEU 14 -3.300 3.495 3.505 105 HD12 LEU 14 HD12 LEU 14 -3.847 4.662 4.704 106 HD13 LEU 14 HD13 LEU 14 -3.885 2.937 5.069 107 HD21 LEU 14 HD21 LEU 14 -1.396 1.924 4.237 108 HD22 LEU 14 HD22 LEU 14 -1.827 1.842 5.947 109 HD23 LEU 14 HD23 LEU 14 -0.269 2.514 5.462 110 H LYS 15 H LYS 15 0.960 5.832 2.009 111 HA LYS 15 HA LYS 15 -0.570 8.086 1.352 112 HB2 LYS 15 HB2 LYS 15 2.226 7.426 0.422 113 HB3 LYS 15 HB3 LYS 15 1.484 9.016 0.428 114 HG2 LYS 15 HG2 LYS 15 1.365 8.973 2.855 115 HG3 LYS 15 HG3 LYS 15 2.059 7.350 2.869 116 HD2 LYS 15 HD2 LYS 15 4.090 8.239 1.791 117 HD3 LYS 15 HD3 LYS 15 3.396 9.860 1.864 118 HE2 LYS 15 HE2 LYS 15 3.280 9.668 4.317 119 HE3 LYS 15 HE3 LYS 15 4.044 8.085 4.213 120 HZ1 LYS 15 HZ1 LYS 15 5.647 9.795 4.746 121 HZ2 LYS 15 HZ2 LYS 15 5.250 10.655 3.345 122 HZ3 LYS 15 HZ3 LYS 15 5.985 9.139 3.225 123 HA PRO 16 HA PRO 16 -0.354 6.862 -3.246 124 HB2 PRO 16 HB2 PRO 16 0.673 4.505 -4.020 125 HB3 PRO 16 HB3 PRO 16 1.697 5.919 -3.745 126 HG2 PRO 16 HG2 PRO 16 1.200 3.566 -1.968 127 HG3 PRO 16 HG3 PRO 16 2.719 4.414 -2.302 128 HD2 PRO 16 HD2 PRO 16 1.196 4.818 -0.062 129 HD3 PRO 16 HD3 PRO 16 2.300 6.021 -0.746 130 H CYS 17 H CYS 17 -1.160 4.594 -0.797 131 HA CYS 17 HA CYS 17 -2.733 2.819 -2.369 132 HB2 CYS 17 HB2 CYS 17 -1.667 2.355 -0.095 133 HB3 CYS 17 HB3 CYS 17 -3.022 3.237 0.601 134 H LYS 18 H LYS 18 -3.402 5.792 -0.628 135 HA LYS 18 HA LYS 18 -6.214 5.595 -0.656 136 HB2 LYS 18 HB2 LYS 18 -6.229 7.985 -0.258 137 HB3 LYS 18 HB3 LYS 18 -4.986 7.230 0.722 138 HG2 LYS 18 HG2 LYS 18 -3.260 8.050 -0.667 139 HG3 LYS 18 HG3 LYS 18 -4.410 8.547 -1.913 140 HD2 LYS 18 HD2 LYS 18 -5.355 10.201 -0.355 141 HD3 LYS 18 HD3 LYS 18 -4.185 9.708 0.869 142 HE2 LYS 18 HE2 LYS 18 -3.455 10.827 -1.833 143 HE3 LYS 18 HE3 LYS 18 -3.574 11.788 -0.360 144 HZ1 LYS 18 HZ1 LYS 18 -1.710 9.519 -0.813 145 HZ2 LYS 18 HZ2 LYS 18 -1.835 10.415 0.617 146 HZ3 LYS 18 HZ3 LYS 18 -1.298 11.161 -0.802 147 H LYS 19 H LYS 19 -3.907 6.316 -3.129 148 HA LYS 19 HA LYS 19 -5.934 7.408 -4.916 149 HB2 LYS 19 HB2 LYS 19 -2.987 6.875 -5.322 150 HB3 LYS 19 HB3 LYS 19 -4.050 7.543 -6.553 151 HG2 LYS 19 HG2 LYS 19 -4.530 9.442 -5.025 152 HG3 LYS 19 HG3 LYS 19 -3.323 8.794 -3.914 153 HD2 LYS 19 HD2 LYS 19 -2.356 10.549 -5.286 154 HD3 LYS 19 HD3 LYS 19 -1.617 8.994 -5.668 155 HE2 LYS 19 HE2 LYS 19 -2.091 10.279 -7.693 156 HE3 LYS 19 HE3 LYS 19 -3.028 8.790 -7.645 157 HZ1 LYS 19 HZ1 LYS 19 -4.034 11.499 -6.950 158 HZ2 LYS 19 HZ2 LYS 19 -4.941 10.072 -6.889 159 HZ3 LYS 19 HZ3 LYS 19 -4.374 10.649 -8.371 160 H ALA 20 H ALA 20 -4.675 4.466 -3.975 161 HA ALA 20 HA ALA 20 -5.166 3.065 -6.468 162 HB1 ALA 20 HB1 ALA 20 -4.444 2.060 -3.714 163 HB2 ALA 20 HB2 ALA 20 -3.338 2.315 -5.066 164 HB3 ALA 20 HB3 ALA 20 -4.568 1.055 -5.161 165 H GLY 21 H GLY 21 -6.952 4.197 -3.890 166 HA2 GLY 21 HA2 GLY 21 -9.207 4.045 -3.463 167 HA3 GLY 21 HA3 GLY 21 -9.345 2.924 -4.810 168 H MET 22 H MET 22 -7.051 2.321 -2.277 169 HA MET 22 HA MET 22 -8.689 0.006 -1.526 170 HB2 MET 22 HB2 MET 22 -5.706 0.423 -1.343 171 HB3 MET 22 HB3 MET 22 -6.547 -0.970 -0.682 172 HG2 MET 22 HG2 MET 22 -6.490 -0.164 -3.579 173 HG3 MET 22 HG3 MET 22 -5.560 -1.468 -2.844 174 HE1 MET 22 HE1 MET 22 -7.500 -1.773 -5.410 175 HE2 MET 22 HE2 MET 22 -8.248 -3.326 -5.042 176 HE3 MET 22 HE3 MET 22 -6.526 -3.088 -4.751 177 H ARG 23 H ARG 23 -7.882 -0.793 0.796 178 HA ARG 23 HA ARG 23 -8.975 1.278 2.499 179 HB2 ARG 23 HB2 ARG 23 -9.728 -1.131 2.481 180 HB3 ARG 23 HB3 ARG 23 -8.204 -1.540 3.240 181 HG2 ARG 23 HG2 ARG 23 -8.810 -0.679 5.246 182 HG3 ARG 23 HG3 ARG 23 -9.869 0.537 4.529 183 HD2 ARG 23 HD2 ARG 23 -10.948 -1.426 5.798 184 HD3 ARG 23 HD3 ARG 23 -11.614 -0.976 4.233 185 HE ARG 23 HE ARG 23 -10.273 -2.867 3.316 186 HH11 ARG 23 HH11 ARG 23 -11.156 -2.857 6.710 187 HH12 ARG 23 HH12 ARG 23 -11.172 -4.588 6.831 188 HH21 ARG 23 HH21 ARG 23 -10.306 -5.124 3.481 189 HH22 ARG 23 HH22 ARG 23 -10.691 -5.876 4.997 190 H PHE 24 H PHE 24 -6.338 -1.034 3.203 191 HA PHE 24 HA PHE 24 -4.722 1.245 4.127 192 HB2 PHE 24 HB2 PHE 24 -3.989 -1.237 5.440 193 HB3 PHE 24 HB3 PHE 24 -4.338 0.332 6.148 194 HD1 PHE 24 HD1 PHE 24 -5.777 -2.831 5.021 195 HD2 PHE 24 HD2 PHE 24 -6.422 0.738 7.224 196 HE1 PHE 24 HE1 PHE 24 -7.820 -3.792 5.946 197 HE2 PHE 24 HE2 PHE 24 -8.477 -0.223 8.181 198 HZ PHE 24 HZ PHE 24 -9.178 -2.498 7.551 199 H GLY 25 H GLY 25 -2.368 0.269 4.517 200 HA2 GLY 25 HA2 GLY 25 -1.662 -1.358 2.172 201 HA3 GLY 25 HA3 GLY 25 -0.779 0.110 2.564 202 H LYS 26 H LYS 26 -0.887 -3.193 2.938 203 HA LYS 26 HA LYS 26 0.559 -3.262 5.471 204 HB2 LYS 26 HB2 LYS 26 -1.217 -4.967 4.840 205 HB3 LYS 26 HB3 LYS 26 -0.099 -5.548 3.618 206 HG2 LYS 26 HG2 LYS 26 1.522 -6.098 5.366 207 HG3 LYS 26 HG3 LYS 26 0.366 -5.560 6.585 208 HD2 LYS 26 HD2 LYS 26 -1.217 -7.265 5.844 209 HD3 LYS 26 HD3 LYS 26 -0.080 -7.793 4.605 210 HE2 LYS 26 HE2 LYS 26 1.524 -8.415 6.340 211 HE3 LYS 26 HE3 LYS 26 0.397 -7.872 7.581 212 HZ1 LYS 26 HZ1 LYS 26 0.320 -10.269 7.280 213 HZ2 LYS 26 HZ2 LYS 26 -0.102 -10.075 5.654 214 HZ3 LYS 26 HZ3 LYS 26 -1.161 -9.563 6.870 215 H CYS 27 H CYS 27 2.670 -4.296 5.574 216 HA CYS 27 HA CYS 27 4.215 -3.543 3.214 217 HB2 CYS 27 HB2 CYS 27 4.753 -2.772 5.651 218 HB3 CYS 27 HB3 CYS 27 5.499 -4.365 5.785 219 H ILE 28 H ILE 28 4.338 -5.139 1.810 220 HA ILE 28 HA ILE 28 5.057 -7.807 2.734 221 HB ILE 28 HB ILE 28 3.618 -6.717 0.370 222 HG12 ILE 28 HG12 ILE 28 2.252 -8.694 0.644 223 HG13 ILE 28 HG13 ILE 28 3.402 -9.381 1.785 224 HG21 ILE 28 HG21 ILE 28 5.534 -8.990 0.212 225 HG22 ILE 28 HG22 ILE 28 5.322 -7.644 -0.904 226 HG23 ILE 28 HG23 ILE 28 4.115 -8.929 -0.832 227 HD11 ILE 28 HD11 ILE 28 2.894 -7.382 3.252 228 HD12 ILE 28 HD12 ILE 28 1.620 -8.584 3.069 229 HD13 ILE 28 HD13 ILE 28 1.540 -7.070 2.175 230 H ASN 29 H ASN 29 6.853 -8.829 1.645 231 HA ASN 29 HA ASN 29 9.200 -7.465 1.775 232 HB2 ASN 29 HB2 ASN 29 8.585 -9.835 0.011 233 HB3 ASN 29 HB3 ASN 29 10.198 -9.303 0.466 234 HD21 ASN 29 HD21 ASN 29 8.688 -11.794 0.957 235 HD22 ASN 29 HD22 ASN 29 8.742 -12.028 2.666 236 H GLY 30 H GLY 30 9.074 -5.471 0.780 237 HA2 GLY 30 HA2 GLY 30 10.030 -4.162 -0.896 238 HA3 GLY 30 HA3 GLY 30 9.977 -5.542 -1.977 239 H LYS 31 H LYS 31 6.935 -5.521 -0.792 240 HA LYS 31 HA LYS 31 6.062 -3.715 -2.956 241 HB2 LYS 31 HB2 LYS 31 4.978 -6.442 -2.274 242 HB3 LYS 31 HB3 LYS 31 4.127 -5.294 -3.290 243 HG2 LYS 31 HG2 LYS 31 6.027 -5.306 -4.851 244 HG3 LYS 31 HG3 LYS 31 6.819 -6.517 -3.845 245 HD2 LYS 31 HD2 LYS 31 5.708 -7.586 -5.719 246 HD3 LYS 31 HD3 LYS 31 4.921 -8.039 -4.210 247 HE2 LYS 31 HE2 LYS 31 3.243 -7.580 -5.881 248 HE3 LYS 31 HE3 LYS 31 3.183 -6.334 -4.638 249 HZ1 LYS 31 HZ1 LYS 31 4.410 -6.092 -7.331 250 HZ2 LYS 31 HZ2 LYS 31 4.507 -4.905 -6.133 251 HZ3 LYS 31 HZ3 LYS 31 3.007 -5.325 -6.787 252 H CYS 32 H CYS 32 4.555 -2.302 -2.503 253 HA CYS 32 HA CYS 32 3.362 -2.169 0.106 254 HB2 CYS 32 HB2 CYS 32 3.220 -0.532 -2.403 255 HB3 CYS 32 HB3 CYS 32 2.085 -0.220 -1.101 256 H ASP 33 H ASP 33 2.118 -3.997 0.342 257 HA ASP 33 HA ASP 33 0.125 -4.600 -1.701 258 HB2 ASP 33 HB2 ASP 33 1.315 -6.485 -0.854 259 HB3 ASP 33 HB3 ASP 33 0.918 -6.068 0.807 260 H CYS 34 H CYS 34 -1.619 -3.485 -1.642 261 HA CYS 34 HA CYS 34 -2.612 -2.301 0.787 262 HB2 CYS 34 HB2 CYS 34 -3.507 -2.197 -2.070 263 HB3 CYS 34 HB3 CYS 34 -4.467 -1.500 -0.779 264 H THR 35 H THR 35 -4.586 -2.635 1.723 265 HA THR 35 HA THR 35 -5.749 -5.278 1.306 266 HB THR 35 HB THR 35 -6.490 -3.173 3.335 267 HG1 THR 35 HG1 THR 35 -4.371 -4.956 3.215 268 HG21 THR 35 HG21 THR 35 -8.204 -4.870 2.978 269 HG22 THR 35 HG22 THR 35 -7.446 -5.070 4.564 270 HG23 THR 35 HG23 THR 35 -7.006 -6.145 3.237 271 HA PRO 36 HA PRO 36 -8.941 -3.276 -1.091 272 HB2 PRO 36 HB2 PRO 36 -10.393 -5.751 -1.208 273 HB3 PRO 36 HB3 PRO 36 -9.450 -4.965 -2.473 274 HG2 PRO 36 HG2 PRO 36 -8.765 -7.336 -1.230 275 HG3 PRO 36 HG3 PRO 36 -7.642 -6.280 -2.097 276 HD2 PRO 36 HD2 PRO 36 -8.082 -6.588 0.829 277 HD3 PRO 36 HD3 PRO 36 -6.592 -6.221 -0.065 278 H LYS 37 H LYS 37 -11.512 -3.733 -1.075 279 HA LYS 37 HA LYS 37 -12.309 -2.885 1.581 280 HB2 LYS 37 HB2 LYS 37 -13.970 -3.022 -0.943 281 HB3 LYS 37 HB3 LYS 37 -14.374 -2.164 0.536 282 HG2 LYS 37 HG2 LYS 37 -12.054 -1.507 -1.270 283 HG3 LYS 37 HG3 LYS 37 -13.607 -0.671 -1.257 284 HD2 LYS 37 HD2 LYS 37 -13.234 0.017 1.048 285 HD3 LYS 37 HD3 LYS 37 -11.704 -0.861 1.079 286 HE2 LYS 37 HE2 LYS 37 -11.308 1.506 0.728 287 HE3 LYS 37 HE3 LYS 37 -10.848 0.590 -0.704 288 HZ1 LYS 37 HZ1 LYS 37 -13.390 2.086 -0.364 289 HZ2 LYS 37 HZ2 LYS 37 -12.927 1.230 -1.746 290 HZ3 LYS 37 HZ3 LYS 37 -12.061 2.600 -1.273 Start of MODEL 3 1 H1 VAL 1 H1 VAL 1 -4.408 -7.780 -6.692 2 H2 VAL 1 H2 VAL 1 -5.997 -7.711 -6.125 3 H3 VAL 1 H3 VAL 1 -4.746 -8.173 -5.085 4 HA VAL 1 HA VAL 1 -5.033 -5.513 -6.334 5 HB VAL 1 HB VAL 1 -5.509 -4.692 -4.068 6 HG11 VAL 1 HG11 VAL 1 -7.805 -5.414 -3.975 7 HG12 VAL 1 HG12 VAL 1 -7.433 -6.851 -4.924 8 HG13 VAL 1 HG13 VAL 1 -7.323 -5.252 -5.660 9 HG21 VAL 1 HG21 VAL 1 -4.406 -6.562 -2.881 10 HG22 VAL 1 HG22 VAL 1 -5.766 -7.598 -3.309 11 HG23 VAL 1 HG23 VAL 1 -6.015 -6.197 -2.265 12 H GLY 2 H GLY 2 -3.567 -3.914 -5.335 13 HA2 GLY 2 HA2 GLY 2 -1.506 -4.036 -3.718 14 HA3 GLY 2 HA3 GLY 2 -0.931 -5.136 -4.965 15 H ILE 3 H ILE 3 0.419 -2.771 -4.295 16 HA ILE 3 HA ILE 3 0.002 -1.198 -6.738 17 HB ILE 3 HB ILE 3 0.801 0.809 -5.477 18 HG12 ILE 3 HG12 ILE 3 0.335 -0.983 -3.083 19 HG13 ILE 3 HG13 ILE 3 1.881 -0.324 -3.603 20 HG21 ILE 3 HG21 ILE 3 -1.356 1.247 -4.382 21 HG22 ILE 3 HG22 ILE 3 -1.760 -0.464 -4.523 22 HG23 ILE 3 HG23 ILE 3 -1.549 0.515 -5.975 23 HD11 ILE 3 HD11 ILE 3 1.064 1.933 -3.143 24 HD12 ILE 3 HD12 ILE 3 1.010 0.905 -1.711 25 HD13 ILE 3 HD13 ILE 3 -0.472 1.260 -2.600 26 H ASN 4 H ASN 4 1.872 -0.201 -7.604 27 HA ASN 4 HA ASN 4 4.179 -1.928 -7.441 28 HB2 ASN 4 HB2 ASN 4 5.056 -0.408 -9.274 29 HB3 ASN 4 HB3 ASN 4 3.565 -1.269 -9.640 30 HD21 ASN 4 HD21 ASN 4 4.836 1.835 -8.537 31 HD22 ASN 4 HD22 ASN 4 3.543 2.789 -9.187 32 H VAL 5 H VAL 5 3.884 -0.612 -5.046 33 HA VAL 5 HA VAL 5 5.968 1.464 -5.110 34 HB VAL 5 HB VAL 5 3.859 1.010 -2.991 35 HG11 VAL 5 HG11 VAL 5 4.557 3.301 -2.271 36 HG12 VAL 5 HG12 VAL 5 5.933 3.159 -3.358 37 HG13 VAL 5 HG13 VAL 5 5.760 2.043 -2.003 38 HG21 VAL 5 HG21 VAL 5 2.797 3.029 -3.867 39 HG22 VAL 5 HG22 VAL 5 2.866 1.760 -5.090 40 HG23 VAL 5 HG23 VAL 5 4.001 3.108 -5.154 41 H LYS 6 H LYS 6 7.643 1.373 -3.579 42 HA LYS 6 HA LYS 6 8.381 -1.333 -2.908 43 HB2 LYS 6 HB2 LYS 6 9.841 1.286 -2.565 44 HB3 LYS 6 HB3 LYS 6 10.524 -0.285 -2.178 45 HG2 LYS 6 HG2 LYS 6 9.562 0.534 -4.903 46 HG3 LYS 6 HG3 LYS 6 11.239 0.605 -4.370 47 HD2 LYS 6 HD2 LYS 6 9.524 -1.869 -4.605 48 HD3 LYS 6 HD3 LYS 6 10.846 -1.407 -5.675 49 HE2 LYS 6 HE2 LYS 6 11.051 -2.149 -2.758 50 HE3 LYS 6 HE3 LYS 6 11.601 -3.103 -4.132 51 HZ1 LYS 6 HZ1 LYS 6 12.688 -0.473 -3.286 52 HZ2 LYS 6 HZ2 LYS 6 13.189 -1.334 -4.648 53 HZ3 LYS 6 HZ3 LYS 6 13.447 -1.975 -3.106 54 H CYS 7 H CYS 7 8.596 -2.216 -0.973 55 HA CYS 7 HA CYS 7 7.159 -1.115 1.236 56 HB2 CYS 7 HB2 CYS 7 7.089 -3.482 0.935 57 HB3 CYS 7 HB3 CYS 7 8.842 -3.598 0.897 58 H LYS 8 H LYS 8 8.454 0.880 1.403 59 HA LYS 8 HA LYS 8 10.965 0.571 2.821 60 HB2 LYS 8 HB2 LYS 8 9.393 3.067 2.135 61 HB3 LYS 8 HB3 LYS 8 11.033 3.020 2.772 62 HG2 LYS 8 HG2 LYS 8 11.847 1.987 0.765 63 HG3 LYS 8 HG3 LYS 8 10.208 1.824 0.137 64 HD2 LYS 8 HD2 LYS 8 10.000 4.277 0.096 65 HD3 LYS 8 HD3 LYS 8 11.661 4.415 0.676 66 HE2 LYS 8 HE2 LYS 8 12.472 3.294 -1.318 67 HE3 LYS 8 HE3 LYS 8 10.821 3.062 -1.883 68 HZ1 LYS 8 HZ1 LYS 8 10.587 5.489 -1.979 69 HZ2 LYS 8 HZ2 LYS 8 11.811 4.923 -2.997 70 HZ3 LYS 8 HZ3 LYS 8 12.210 5.660 -1.529 71 H HIS 9 H HIS 9 7.673 1.773 3.362 72 HA HIS 9 HA HIS 9 7.851 1.170 6.199 73 HB2 HIS 9 HB2 HIS 9 7.105 3.971 5.303 74 HB3 HIS 9 HB3 HIS 9 7.223 3.388 6.957 75 HD1 HIS 9 HD1 HIS 9 9.308 4.463 4.048 76 HD2 HIS 9 HD2 HIS 9 9.814 3.370 8.023 77 HE1 HIS 9 HE1 HIS 9 11.716 4.878 4.546 78 HE2 HIS 9 HE2 HIS 9 12.004 4.276 6.984 79 H SER 10 H SER 10 5.825 0.756 7.071 80 HA SER 10 HA SER 10 3.742 0.143 5.266 81 HB2 SER 10 HB2 SER 10 2.424 -0.171 7.459 82 HB3 SER 10 HB3 SER 10 3.842 -1.185 7.203 83 HG SER 10 HG SER 10 4.157 -0.421 9.195 84 H GLY 11 H GLY 11 4.287 2.856 7.465 85 HA2 GLY 11 HA2 GLY 11 1.781 4.127 6.984 86 HA3 GLY 11 HA3 GLY 11 3.213 4.886 7.668 87 H GLN 12 H GLN 12 4.658 3.853 5.178 88 HA GLN 12 HA GLN 12 4.226 6.190 3.551 89 HB2 GLN 12 HB2 GLN 12 6.494 5.352 3.905 90 HB3 GLN 12 HB3 GLN 12 6.060 3.802 3.207 91 HG2 GLN 12 HG2 GLN 12 5.698 6.209 1.519 92 HG3 GLN 12 HG3 GLN 12 7.346 5.681 1.850 93 HE21 GLN 12 HE21 GLN 12 8.030 3.670 1.086 94 HE22 GLN 12 HE22 GLN 12 7.186 2.827 -0.167 95 H CYS 13 H CYS 13 3.634 2.725 3.371 96 HA CYS 13 HA CYS 13 2.847 2.589 0.679 97 HB2 CYS 13 HB2 CYS 13 2.101 0.834 3.025 98 HB3 CYS 13 HB3 CYS 13 1.770 0.438 1.346 99 H LEU 14 H LEU 14 1.168 3.679 3.493 100 HA LEU 14 HA LEU 14 -1.486 3.262 2.630 101 HB2 LEU 14 HB2 LEU 14 -0.132 4.686 4.783 102 HB3 LEU 14 HB3 LEU 14 -1.590 5.489 4.259 103 HG LEU 14 HG LEU 14 -1.969 3.997 6.174 104 HD11 LEU 14 HD11 LEU 14 -3.260 3.242 3.578 105 HD12 LEU 14 HD12 LEU 14 -3.820 4.436 4.747 106 HD13 LEU 14 HD13 LEU 14 -3.852 2.719 5.152 107 HD21 LEU 14 HD21 LEU 14 -1.305 1.746 4.281 108 HD22 LEU 14 HD22 LEU 14 -1.798 1.612 5.969 109 HD23 LEU 14 HD23 LEU 14 -0.234 2.318 5.561 110 H LYS 15 H LYS 15 0.825 5.811 2.045 111 HA LYS 15 HA LYS 15 -1.016 7.827 1.349 112 HB2 LYS 15 HB2 LYS 15 1.892 7.581 0.579 113 HB3 LYS 15 HB3 LYS 15 0.918 9.040 0.465 114 HG2 LYS 15 HG2 LYS 15 0.606 9.013 2.896 115 HG3 LYS 15 HG3 LYS 15 1.618 7.571 2.998 116 HD2 LYS 15 HD2 LYS 15 3.498 8.820 2.067 117 HD3 LYS 15 HD3 LYS 15 2.486 10.260 1.942 118 HE2 LYS 15 HE2 LYS 15 3.829 10.447 3.919 119 HE3 LYS 15 HE3 LYS 15 2.156 10.173 4.403 120 HZ1 LYS 15 HZ1 LYS 15 2.703 7.822 4.733 121 HZ2 LYS 15 HZ2 LYS 15 3.635 8.830 5.717 122 HZ3 LYS 15 HZ3 LYS 15 4.317 8.140 4.333 123 HA PRO 16 HA PRO 16 -0.432 6.683 -3.231 124 HB2 PRO 16 HB2 PRO 16 0.858 4.439 -3.962 125 HB3 PRO 16 HB3 PRO 16 1.712 5.958 -3.666 126 HG2 PRO 16 HG2 PRO 16 1.426 3.569 -1.894 127 HG3 PRO 16 HG3 PRO 16 2.845 4.592 -2.179 128 HD2 PRO 16 HD2 PRO 16 1.199 4.806 0.008 129 HD3 PRO 16 HD3 PRO 16 2.185 6.132 -0.632 130 H CYS 17 H CYS 17 -1.089 4.322 -0.823 131 HA CYS 17 HA CYS 17 -2.511 2.471 -2.464 132 HB2 CYS 17 HB2 CYS 17 -1.443 1.874 -0.296 133 HB3 CYS 17 HB3 CYS 17 -2.670 2.829 0.530 134 H LYS 18 H LYS 18 -3.446 5.189 -0.403 135 HA LYS 18 HA LYS 18 -6.240 4.844 -0.632 136 HB2 LYS 18 HB2 LYS 18 -6.389 7.177 0.093 137 HB3 LYS 18 HB3 LYS 18 -5.213 6.302 1.062 138 HG2 LYS 18 HG2 LYS 18 -3.400 7.312 -0.060 139 HG3 LYS 18 HG3 LYS 18 -4.453 7.969 -1.314 140 HD2 LYS 18 HD2 LYS 18 -5.527 9.401 0.383 141 HD3 LYS 18 HD3 LYS 18 -4.408 8.771 1.596 142 HE2 LYS 18 HE2 LYS 18 -2.529 9.691 0.435 143 HE3 LYS 18 HE3 LYS 18 -3.537 10.152 -0.935 144 HZ1 LYS 18 HZ1 LYS 18 -3.072 12.057 0.429 145 HZ2 LYS 18 HZ2 LYS 18 -3.673 11.281 1.805 146 HZ3 LYS 18 HZ3 LYS 18 -4.719 11.685 0.541 147 H LYS 19 H LYS 19 -3.846 5.977 -2.804 148 HA LYS 19 HA LYS 19 -5.653 7.503 -4.478 149 HB2 LYS 19 HB2 LYS 19 -2.808 6.597 -4.987 150 HB3 LYS 19 HB3 LYS 19 -3.705 7.758 -5.956 151 HG2 LYS 19 HG2 LYS 19 -3.747 9.326 -4.142 152 HG3 LYS 19 HG3 LYS 19 -3.024 8.146 -3.049 153 HD2 LYS 19 HD2 LYS 19 -1.327 9.695 -3.766 154 HD3 LYS 19 HD3 LYS 19 -1.006 8.120 -4.490 155 HE2 LYS 19 HE2 LYS 19 -2.064 8.891 -6.576 156 HE3 LYS 19 HE3 LYS 19 -2.314 10.476 -5.845 157 HZ1 LYS 19 HZ1 LYS 19 0.107 10.645 -5.573 158 HZ2 LYS 19 HZ2 LYS 19 -0.346 10.505 -7.193 159 HZ3 LYS 19 HZ3 LYS 19 0.298 9.172 -6.380 160 H ALA 20 H ALA 20 -4.692 4.313 -4.018 161 HA ALA 20 HA ALA 20 -5.333 3.383 -6.693 162 HB1 ALA 20 HB1 ALA 20 -4.628 1.910 -4.151 163 HB2 ALA 20 HB2 ALA 20 -3.547 2.270 -5.502 164 HB3 ALA 20 HB3 ALA 20 -4.887 1.143 -5.722 165 H GLY 21 H GLY 21 -6.991 4.223 -3.915 166 HA2 GLY 21 HA2 GLY 21 -9.273 4.138 -3.518 167 HA3 GLY 21 HA3 GLY 21 -9.444 3.051 -4.891 168 H MET 22 H MET 22 -7.062 2.332 -2.497 169 HA MET 22 HA MET 22 -8.739 0.101 -1.602 170 HB2 MET 22 HB2 MET 22 -5.734 0.425 -1.444 171 HB3 MET 22 HB3 MET 22 -6.638 -0.954 -0.846 172 HG2 MET 22 HG2 MET 22 -6.426 -0.057 -3.702 173 HG3 MET 22 HG3 MET 22 -5.680 -1.476 -2.972 174 HE1 MET 22 HE1 MET 22 -8.517 -2.795 -5.445 175 HE2 MET 22 HE2 MET 22 -6.784 -2.798 -5.123 176 HE3 MET 22 HE3 MET 22 -7.584 -1.312 -5.633 177 H ARG 23 H ARG 23 -7.875 -0.598 0.770 178 HA ARG 23 HA ARG 23 -8.803 1.690 2.320 179 HB2 ARG 23 HB2 ARG 23 -9.869 -0.578 2.479 180 HB3 ARG 23 HB3 ARG 23 -8.401 -1.149 3.251 181 HG2 ARG 23 HG2 ARG 23 -8.847 -0.106 5.202 182 HG3 ARG 23 HG3 ARG 23 -9.681 1.237 4.419 183 HD2 ARG 23 HD2 ARG 23 -11.057 -0.450 5.815 184 HD3 ARG 23 HD3 ARG 23 -11.679 0.070 4.252 185 HE ARG 23 HE ARG 23 -10.484 -2.104 3.475 186 HH11 ARG 23 HH11 ARG 23 -12.205 -1.671 6.497 187 HH12 ARG 23 HH12 ARG 23 -12.755 -3.315 6.557 188 HH21 ARG 23 HH21 ARG 23 -11.237 -4.248 3.533 189 HH22 ARG 23 HH22 ARG 23 -12.213 -4.779 4.869 190 H PHE 24 H PHE 24 -6.412 -0.859 3.066 191 HA PHE 24 HA PHE 24 -4.566 1.266 3.922 192 HB2 PHE 24 HB2 PHE 24 -4.048 -1.298 5.209 193 HB3 PHE 24 HB3 PHE 24 -4.171 0.303 5.926 194 HD1 PHE 24 HD1 PHE 24 -5.994 -2.676 4.914 195 HD2 PHE 24 HD2 PHE 24 -6.181 0.991 7.036 196 HE1 PHE 24 HE1 PHE 24 -8.120 -3.376 5.890 197 HE2 PHE 24 HE2 PHE 24 -8.313 0.294 8.051 198 HZ PHE 24 HZ PHE 24 -9.289 -1.894 7.476 199 H GLY 25 H GLY 25 -2.283 0.292 4.072 200 HA2 GLY 25 HA2 GLY 25 -1.792 -1.673 1.966 201 HA3 GLY 25 HA3 GLY 25 -1.006 -0.104 1.861 202 H LYS 26 H LYS 26 -0.795 -3.233 3.068 203 HA LYS 26 HA LYS 26 0.960 -2.546 5.275 204 HB2 LYS 26 HB2 LYS 26 1.034 -4.929 5.736 205 HB3 LYS 26 HB3 LYS 26 -0.631 -4.411 5.532 206 HG2 LYS 26 HG2 LYS 26 -0.614 -5.299 3.245 207 HG3 LYS 26 HG3 LYS 26 1.046 -5.848 3.486 208 HD2 LYS 26 HD2 LYS 26 -1.335 -6.735 5.117 209 HD3 LYS 26 HD3 LYS 26 -0.611 -7.653 3.796 210 HE2 LYS 26 HE2 LYS 26 1.479 -7.815 5.022 211 HE3 LYS 26 HE3 LYS 26 0.825 -6.817 6.317 212 HZ1 LYS 26 HZ1 LYS 26 -0.797 -8.531 6.789 213 HZ2 LYS 26 HZ2 LYS 26 0.763 -9.175 6.866 214 HZ3 LYS 26 HZ3 LYS 26 -0.212 -9.482 5.521 215 H CYS 27 H CYS 27 3.108 -3.395 5.425 216 HA CYS 27 HA CYS 27 4.507 -2.967 2.929 217 HB2 CYS 27 HB2 CYS 27 5.051 -2.214 5.470 218 HB3 CYS 27 HB3 CYS 27 6.004 -3.692 5.388 219 H ILE 28 H ILE 28 4.738 -4.650 1.600 220 HA ILE 28 HA ILE 28 4.844 -7.339 2.768 221 HB ILE 28 HB ILE 28 2.979 -6.407 1.075 222 HG12 ILE 28 HG12 ILE 28 2.471 -8.748 0.498 223 HG13 ILE 28 HG13 ILE 28 4.060 -9.231 1.074 224 HG21 ILE 28 HG21 ILE 28 5.032 -7.654 -0.739 225 HG22 ILE 28 HG22 ILE 28 4.523 -5.964 -0.740 226 HG23 ILE 28 HG23 ILE 28 3.380 -7.231 -1.187 227 HD11 ILE 28 HD11 ILE 28 2.041 -7.850 2.816 228 HD12 ILE 28 HD12 ILE 28 3.510 -8.697 3.309 229 HD13 ILE 28 HD13 ILE 28 2.146 -9.605 2.656 230 H ASN 29 H ASN 29 5.917 -8.912 1.033 231 HA ASN 29 HA ASN 29 8.618 -8.577 1.092 232 HB2 ASN 29 HB2 ASN 29 7.125 -10.048 -1.089 233 HB3 ASN 29 HB3 ASN 29 8.788 -10.328 -0.587 234 HD21 ASN 29 HD21 ASN 29 5.457 -10.860 0.105 235 HD22 ASN 29 HD22 ASN 29 5.685 -11.961 1.420 236 H GLY 30 H GLY 30 9.203 -6.493 0.542 237 HA2 GLY 30 HA2 GLY 30 10.378 -5.137 -0.911 238 HA3 GLY 30 HA3 GLY 30 9.906 -6.189 -2.232 239 H LYS 31 H LYS 31 6.988 -5.710 -1.093 240 HA LYS 31 HA LYS 31 6.655 -3.244 -2.684 241 HB2 LYS 31 HB2 LYS 31 5.108 -5.827 -2.919 242 HB3 LYS 31 HB3 LYS 31 4.575 -4.312 -3.634 243 HG2 LYS 31 HG2 LYS 31 7.201 -5.643 -4.256 244 HG3 LYS 31 HG3 LYS 31 5.733 -5.833 -5.214 245 HD2 LYS 31 HD2 LYS 31 5.700 -3.470 -5.713 246 HD3 LYS 31 HD3 LYS 31 7.076 -3.191 -4.644 247 HE2 LYS 31 HE2 LYS 31 7.774 -3.225 -6.977 248 HE3 LYS 31 HE3 LYS 31 8.479 -4.571 -6.086 249 HZ1 LYS 31 HZ1 LYS 31 6.810 -6.030 -7.020 250 HZ2 LYS 31 HZ2 LYS 31 7.652 -5.250 -8.257 251 HZ3 LYS 31 HZ3 LYS 31 6.095 -4.741 -7.847 252 H CYS 32 H CYS 32 4.235 -2.531 -2.513 253 HA CYS 32 HA CYS 32 3.427 -2.742 0.302 254 HB2 CYS 32 HB2 CYS 32 2.793 -0.618 -1.760 255 HB3 CYS 32 HB3 CYS 32 2.118 -0.662 -0.138 256 H ASP 33 H ASP 33 1.846 -4.121 0.656 257 HA ASP 33 HA ASP 33 0.072 -4.874 -1.559 258 HB2 ASP 33 HB2 ASP 33 1.376 -6.622 -0.272 259 HB3 ASP 33 HB3 ASP 33 0.380 -6.223 1.120 260 H CYS 34 H CYS 34 -1.892 -4.020 -1.611 261 HA CYS 34 HA CYS 34 -2.832 -2.557 0.713 262 HB2 CYS 34 HB2 CYS 34 -3.687 -2.557 -2.161 263 HB3 CYS 34 HB3 CYS 34 -4.603 -1.736 -0.912 264 H THR 35 H THR 35 -4.836 -2.731 1.607 265 HA THR 35 HA THR 35 -6.193 -5.308 1.209 266 HB THR 35 HB THR 35 -6.577 -3.246 3.372 267 HG1 THR 35 HG1 THR 35 -4.704 -5.259 3.042 268 HG21 THR 35 HG21 THR 35 -8.510 -4.700 3.054 269 HG22 THR 35 HG22 THR 35 -7.704 -5.036 4.589 270 HG23 THR 35 HG23 THR 35 -7.474 -6.120 3.217 271 HA PRO 36 HA PRO 36 -9.234 -2.915 -1.028 272 HB2 PRO 36 HB2 PRO 36 -10.925 -5.258 -1.124 273 HB3 PRO 36 HB3 PRO 36 -10.012 -4.498 -2.424 274 HG2 PRO 36 HG2 PRO 36 -9.424 -6.954 -1.348 275 HG3 PRO 36 HG3 PRO 36 -8.256 -5.921 -2.183 276 HD2 PRO 36 HD2 PRO 36 -8.644 -6.371 0.736 277 HD3 PRO 36 HD3 PRO 36 -7.152 -6.084 -0.181 278 H LYS 37 H LYS 37 -11.090 -1.867 -0.545 279 HA LYS 37 HA LYS 37 -12.243 -2.341 2.082 280 HB2 LYS 37 HB2 LYS 37 -13.508 -0.188 1.545 281 HB3 LYS 37 HB3 LYS 37 -11.769 -0.059 1.751 282 HG2 LYS 37 HG2 LYS 37 -11.464 0.008 -0.658 283 HG3 LYS 37 HG3 LYS 37 -13.203 -0.184 -0.892 284 HD2 LYS 37 HD2 LYS 37 -13.586 1.930 0.285 285 HD3 LYS 37 HD3 LYS 37 -11.847 2.121 0.502 286 HE2 LYS 37 HE2 LYS 37 -12.686 3.457 -1.374 287 HE3 LYS 37 HE3 LYS 37 -11.537 2.230 -1.904 288 HZ1 LYS 37 HZ1 LYS 37 -14.494 2.004 -2.079 289 HZ2 LYS 37 HZ2 LYS 37 -13.380 0.853 -2.618 290 HZ3 LYS 37 HZ3 LYS 37 -13.458 2.363 -3.367 Start of MODEL 4 1 H1 VAL 1 H1 VAL 1 -2.648 -7.249 -1.708 2 H2 VAL 1 H2 VAL 1 -4.279 -7.426 -2.126 3 H3 VAL 1 H3 VAL 1 -3.680 -5.905 -1.691 4 HA VAL 1 HA VAL 1 -2.951 -7.464 -4.096 5 HB VAL 1 HB VAL 1 -3.940 -5.559 -5.330 6 HG11 VAL 1 HG11 VAL 1 -5.974 -6.767 -3.464 7 HG12 VAL 1 HG12 VAL 1 -5.214 -7.669 -4.776 8 HG13 VAL 1 HG13 VAL 1 -6.202 -6.255 -5.136 9 HG21 VAL 1 HG21 VAL 1 -3.708 -3.931 -3.502 10 HG22 VAL 1 HG22 VAL 1 -5.035 -4.726 -2.655 11 HG23 VAL 1 HG23 VAL 1 -5.321 -3.946 -4.212 12 H GLY 2 H GLY 2 -1.294 -6.642 -5.354 13 HA2 GLY 2 HA2 GLY 2 0.532 -4.916 -3.855 14 HA3 GLY 2 HA3 GLY 2 0.966 -5.964 -5.195 15 H ILE 3 H ILE 3 1.164 -2.964 -4.476 16 HA ILE 3 HA ILE 3 0.189 -1.946 -7.063 17 HB ILE 3 HB ILE 3 0.447 0.325 -6.030 18 HG12 ILE 3 HG12 ILE 3 0.683 -1.220 -3.441 19 HG13 ILE 3 HG13 ILE 3 2.041 -0.446 -4.251 20 HG21 ILE 3 HG21 ILE 3 -1.619 0.207 -4.724 21 HG22 ILE 3 HG22 ILE 3 -1.460 -1.548 -4.632 22 HG23 ILE 3 HG23 ILE 3 -1.733 -0.770 -6.191 23 HD11 ILE 3 HD11 ILE 3 1.199 1.694 -3.832 24 HD12 ILE 3 HD12 ILE 3 0.970 0.802 -2.331 25 HD13 ILE 3 HD13 ILE 3 -0.397 1.081 -3.411 26 H ASN 4 H ASN 4 1.648 0.152 -7.560 27 HA ASN 4 HA ASN 4 4.229 -0.963 -8.201 28 HB2 ASN 4 HB2 ASN 4 4.531 1.201 -9.452 29 HB3 ASN 4 HB3 ASN 4 3.136 0.249 -9.947 30 HD21 ASN 4 HD21 ASN 4 4.174 3.073 -8.139 31 HD22 ASN 4 HD22 ASN 4 2.648 3.889 -8.187 32 H VAL 5 H VAL 5 4.023 -0.618 -5.460 33 HA VAL 5 HA VAL 5 6.001 1.507 -4.977 34 HB VAL 5 HB VAL 5 3.700 0.785 -3.140 35 HG11 VAL 5 HG11 VAL 5 4.474 2.702 -1.783 36 HG12 VAL 5 HG12 VAL 5 5.903 2.816 -2.811 37 HG13 VAL 5 HG13 VAL 5 5.636 1.375 -1.829 38 HG21 VAL 5 HG21 VAL 5 2.854 3.006 -3.583 39 HG22 VAL 5 HG22 VAL 5 3.021 2.113 -5.095 40 HG23 VAL 5 HG23 VAL 5 4.212 3.338 -4.658 41 H LYS 6 H LYS 6 7.552 1.016 -3.359 42 HA LYS 6 HA LYS 6 7.881 -1.873 -2.973 43 HB2 LYS 6 HB2 LYS 6 9.914 0.358 -2.777 44 HB3 LYS 6 HB3 LYS 6 10.257 -1.362 -2.644 45 HG2 LYS 6 HG2 LYS 6 9.549 -1.700 -4.947 46 HG3 LYS 6 HG3 LYS 6 9.156 0.014 -5.088 47 HD2 LYS 6 HD2 LYS 6 11.295 -0.345 -6.097 48 HD3 LYS 6 HD3 LYS 6 11.545 0.528 -4.586 49 HE2 LYS 6 HE2 LYS 6 12.119 -1.593 -3.483 50 HE3 LYS 6 HE3 LYS 6 11.907 -2.433 -5.016 51 HZ1 LYS 6 HZ1 LYS 6 13.700 -1.135 -5.950 52 HZ2 LYS 6 HZ2 LYS 6 14.231 -1.941 -4.563 53 HZ3 LYS 6 HZ3 LYS 6 13.887 -0.289 -4.498 54 H CYS 7 H CYS 7 8.810 -2.625 -0.961 55 HA CYS 7 HA CYS 7 7.369 -1.511 1.263 56 HB2 CYS 7 HB2 CYS 7 7.518 -3.932 0.954 57 HB3 CYS 7 HB3 CYS 7 9.267 -3.861 1.117 58 H LYS 8 H LYS 8 8.548 0.560 1.238 59 HA LYS 8 HA LYS 8 11.173 0.472 2.468 60 HB2 LYS 8 HB2 LYS 8 9.423 2.824 1.720 61 HB3 LYS 8 HB3 LYS 8 11.080 2.929 2.300 62 HG2 LYS 8 HG2 LYS 8 11.856 1.718 0.332 63 HG3 LYS 8 HG3 LYS 8 10.196 1.590 -0.249 64 HD2 LYS 8 HD2 LYS 8 10.066 4.050 -0.338 65 HD3 LYS 8 HD3 LYS 8 11.751 4.141 0.179 66 HE2 LYS 8 HE2 LYS 8 10.763 2.789 -2.328 67 HE3 LYS 8 HE3 LYS 8 11.494 4.389 -2.258 68 HZ1 LYS 8 HZ1 LYS 8 13.530 3.397 -1.451 69 HZ2 LYS 8 HZ2 LYS 8 13.082 2.683 -2.916 70 HZ3 LYS 8 HZ3 LYS 8 12.829 1.860 -1.464 71 H HIS 9 H HIS 9 7.925 1.718 3.219 72 HA HIS 9 HA HIS 9 8.373 1.226 6.056 73 HB2 HIS 9 HB2 HIS 9 7.391 3.944 5.174 74 HB3 HIS 9 HB3 HIS 9 7.885 3.447 6.783 75 HD1 HIS 9 HD1 HIS 9 9.208 4.657 3.526 76 HD2 HIS 9 HD2 HIS 9 10.686 3.443 7.218 77 HE1 HIS 9 HE1 HIS 9 11.653 5.181 3.471 78 HE2 HIS 9 HE2 HIS 9 12.546 4.418 5.703 79 H SER 10 H SER 10 6.498 0.707 7.099 80 HA SER 10 HA SER 10 4.351 -0.179 5.509 81 HB2 SER 10 HB2 SER 10 3.266 -0.698 7.705 82 HB3 SER 10 HB3 SER 10 4.899 -1.342 7.544 83 HG SER 10 HG SER 10 3.914 0.398 9.361 84 H GLY 11 H GLY 11 4.714 2.664 7.588 85 HA2 GLY 11 HA2 GLY 11 1.986 3.494 7.273 86 HA3 GLY 11 HA3 GLY 11 3.298 4.462 7.928 87 H GLN 12 H GLN 12 4.819 3.761 5.379 88 HA GLN 12 HA GLN 12 4.182 6.140 3.952 89 HB2 GLN 12 HB2 GLN 12 6.454 5.141 4.103 90 HB3 GLN 12 HB3 GLN 12 5.908 3.798 3.115 91 HG2 GLN 12 HG2 GLN 12 5.364 5.528 1.345 92 HG3 GLN 12 HG3 GLN 12 6.282 6.667 2.333 93 HE21 GLN 12 HE21 GLN 12 6.420 3.869 0.314 94 HE22 GLN 12 HE22 GLN 12 8.137 3.836 0.119 95 H CYS 13 H CYS 13 3.206 2.848 3.770 96 HA CYS 13 HA CYS 13 2.381 2.896 1.027 97 HB2 CYS 13 HB2 CYS 13 2.406 0.947 3.246 98 HB3 CYS 13 HB3 CYS 13 1.165 0.712 2.021 99 H LEU 14 H LEU 14 1.011 4.100 3.843 100 HA LEU 14 HA LEU 14 -1.686 3.405 3.581 101 HB2 LEU 14 HB2 LEU 14 -0.385 5.857 4.746 102 HB3 LEU 14 HB3 LEU 14 -2.094 5.513 4.886 103 HG LEU 14 HG LEU 14 0.156 3.844 6.013 104 HD11 LEU 14 HD11 LEU 14 -1.925 5.556 7.357 105 HD12 LEU 14 HD12 LEU 14 -0.202 5.908 7.237 106 HD13 LEU 14 HD13 LEU 14 -0.756 4.524 8.179 107 HD21 LEU 14 HD21 LEU 14 -1.645 2.396 5.343 108 HD22 LEU 14 HD22 LEU 14 -2.829 3.446 6.122 109 HD23 LEU 14 HD23 LEU 14 -1.658 2.559 7.099 110 H LYS 15 H LYS 15 0.062 6.215 2.345 111 HA LYS 15 HA LYS 15 -2.209 7.480 1.249 112 HB2 LYS 15 HB2 LYS 15 0.657 7.907 0.440 113 HB3 LYS 15 HB3 LYS 15 -0.679 9.027 0.222 114 HG2 LYS 15 HG2 LYS 15 -0.893 9.104 2.720 115 HG3 LYS 15 HG3 LYS 15 0.616 8.193 2.802 116 HD2 LYS 15 HD2 LYS 15 1.688 9.994 1.447 117 HD3 LYS 15 HD3 LYS 15 0.193 10.920 1.590 118 HE2 LYS 15 HE2 LYS 15 2.014 10.033 3.820 119 HE3 LYS 15 HE3 LYS 15 1.744 11.681 3.260 120 HZ1 LYS 15 HZ1 LYS 15 0.511 11.247 5.275 121 HZ2 LYS 15 HZ2 LYS 15 -0.269 9.930 4.562 122 HZ3 LYS 15 HZ3 LYS 15 -0.562 11.495 3.992 123 HA PRO 16 HA PRO 16 -0.636 6.115 -3.119 124 HB2 PRO 16 HB2 PRO 16 0.860 3.819 -3.240 125 HB3 PRO 16 HB3 PRO 16 1.536 5.450 -3.236 126 HG2 PRO 16 HG2 PRO 16 1.266 3.502 -0.990 127 HG3 PRO 16 HG3 PRO 16 2.604 4.602 -1.370 128 HD2 PRO 16 HD2 PRO 16 0.814 5.146 0.573 129 HD3 PRO 16 HD3 PRO 16 1.556 6.419 -0.415 130 H CYS 17 H CYS 17 -1.370 3.707 -0.677 131 HA CYS 17 HA CYS 17 -2.770 1.965 -2.451 132 HB2 CYS 17 HB2 CYS 17 -2.643 2.222 0.549 133 HB3 CYS 17 HB3 CYS 17 -3.596 1.005 -0.269 134 H LYS 18 H LYS 18 -3.635 4.585 -0.249 135 HA LYS 18 HA LYS 18 -6.426 4.329 -0.452 136 HB2 LYS 18 HB2 LYS 18 -5.539 5.608 1.321 137 HB3 LYS 18 HB3 LYS 18 -4.556 6.581 0.236 138 HG2 LYS 18 HG2 LYS 18 -6.290 7.960 0.885 139 HG3 LYS 18 HG3 LYS 18 -6.726 7.414 -0.737 140 HD2 LYS 18 HD2 LYS 18 -8.230 5.751 0.209 141 HD3 LYS 18 HD3 LYS 18 -7.775 6.239 1.841 142 HE2 LYS 18 HE2 LYS 18 -9.167 7.946 -0.215 143 HE3 LYS 18 HE3 LYS 18 -9.907 7.224 1.212 144 HZ1 LYS 18 HZ1 LYS 18 -8.455 8.572 2.597 145 HZ2 LYS 18 HZ2 LYS 18 -9.376 9.547 1.569 146 HZ3 LYS 18 HZ3 LYS 18 -7.748 9.264 1.223 147 H LYS 19 H LYS 19 -4.007 5.973 -2.387 148 HA LYS 19 HA LYS 19 -5.902 7.464 -3.959 149 HB2 LYS 19 HB2 LYS 19 -2.985 6.873 -4.505 150 HB3 LYS 19 HB3 LYS 19 -3.961 8.096 -5.302 151 HG2 LYS 19 HG2 LYS 19 -3.290 8.069 -2.368 152 HG3 LYS 19 HG3 LYS 19 -2.453 9.022 -3.593 153 HD2 LYS 19 HD2 LYS 19 -4.464 10.267 -4.064 154 HD3 LYS 19 HD3 LYS 19 -5.400 9.235 -2.981 155 HE2 LYS 19 HE2 LYS 19 -4.834 11.386 -1.943 156 HE3 LYS 19 HE3 LYS 19 -4.121 10.026 -1.078 157 HZ1 LYS 19 HZ1 LYS 19 -2.719 11.832 -2.977 158 HZ2 LYS 19 HZ2 LYS 19 -2.024 10.481 -2.240 159 HZ3 LYS 19 HZ3 LYS 19 -2.523 11.789 -1.296 160 H ALA 20 H ALA 20 -5.034 4.326 -3.776 161 HA ALA 20 HA ALA 20 -5.268 3.732 -6.635 162 HB1 ALA 20 HB1 ALA 20 -4.454 2.041 -4.270 163 HB2 ALA 20 HB2 ALA 20 -3.415 2.660 -5.559 164 HB3 ALA 20 HB3 ALA 20 -4.620 1.423 -5.917 165 H GLY 21 H GLY 21 -7.337 4.331 -4.277 166 HA2 GLY 21 HA2 GLY 21 -9.608 3.900 -4.128 167 HA3 GLY 21 HA3 GLY 21 -9.433 2.711 -5.411 168 H MET 22 H MET 22 -7.416 2.642 -2.587 169 HA MET 22 HA MET 22 -8.879 0.274 -1.636 170 HB2 MET 22 HB2 MET 22 -5.869 0.607 -1.579 171 HB3 MET 22 HB3 MET 22 -6.789 -0.834 -1.182 172 HG2 MET 22 HG2 MET 22 -7.435 -1.174 -3.431 173 HG3 MET 22 HG3 MET 22 -6.845 0.416 -3.907 174 HE1 MET 22 HE1 MET 22 -5.528 -0.518 -5.939 175 HE2 MET 22 HE2 MET 22 -6.136 -2.134 -5.584 176 HE3 MET 22 HE3 MET 22 -4.412 -1.882 -5.859 177 H ARG 23 H ARG 23 -7.908 -0.251 0.748 178 HA ARG 23 HA ARG 23 -8.611 2.192 2.167 179 HB2 ARG 23 HB2 ARG 23 -9.680 -0.041 2.656 180 HB3 ARG 23 HB3 ARG 23 -8.155 -0.532 3.371 181 HG2 ARG 23 HG2 ARG 23 -8.898 0.285 5.277 182 HG3 ARG 23 HG3 ARG 23 -8.694 1.890 4.572 183 HD2 ARG 23 HD2 ARG 23 -10.915 1.636 5.475 184 HD3 ARG 23 HD3 ARG 23 -10.991 1.796 3.724 185 HE ARG 23 HE ARG 23 -11.007 -0.851 4.002 186 HH11 ARG 23 HH11 ARG 23 -12.809 1.619 5.712 187 HH12 ARG 23 HH12 ARG 23 -14.162 0.582 6.038 188 HH21 ARG 23 HH21 ARG 23 -12.772 -2.210 4.430 189 HH22 ARG 23 HH22 ARG 23 -14.143 -1.603 5.302 190 H PHE 24 H PHE 24 -6.345 -0.307 3.313 191 HA PHE 24 HA PHE 24 -4.442 1.865 3.904 192 HB2 PHE 24 HB2 PHE 24 -3.873 -0.644 5.268 193 HB3 PHE 24 HB3 PHE 24 -4.036 0.975 5.933 194 HD1 PHE 24 HD1 PHE 24 -5.812 -2.067 4.991 195 HD2 PHE 24 HD2 PHE 24 -6.041 1.637 7.046 196 HE1 PHE 24 HE1 PHE 24 -7.908 -2.790 6.010 197 HE2 PHE 24 HE2 PHE 24 -8.152 0.924 8.100 198 HZ PHE 24 HZ PHE 24 -9.092 -1.296 7.584 199 H GLY 25 H GLY 25 -2.139 0.734 4.239 200 HA2 GLY 25 HA2 GLY 25 -1.636 -1.121 2.033 201 HA3 GLY 25 HA3 GLY 25 -0.769 0.404 2.071 202 H LYS 26 H LYS 26 -0.620 -2.783 2.879 203 HA LYS 26 HA LYS 26 1.044 -2.432 5.251 204 HB2 LYS 26 HB2 LYS 26 -0.709 -4.280 5.007 205 HB3 LYS 26 HB3 LYS 26 0.395 -5.022 3.859 206 HG2 LYS 26 HG2 LYS 26 2.114 -5.150 5.594 207 HG3 LYS 26 HG3 LYS 26 0.993 -4.430 6.747 208 HD2 LYS 26 HD2 LYS 26 -0.554 -6.357 6.291 209 HD3 LYS 26 HD3 LYS 26 0.754 -7.096 5.368 210 HE2 LYS 26 HE2 LYS 26 0.867 -6.315 8.279 211 HE3 LYS 26 HE3 LYS 26 0.672 -7.953 7.659 212 HZ1 LYS 26 HZ1 LYS 26 3.028 -6.214 7.154 213 HZ2 LYS 26 HZ2 LYS 26 2.842 -7.817 6.652 214 HZ3 LYS 26 HZ3 LYS 26 2.969 -7.457 8.297 215 H CYS 27 H CYS 27 3.171 -3.349 5.327 216 HA CYS 27 HA CYS 27 4.607 -2.944 2.824 217 HB2 CYS 27 HB2 CYS 27 5.176 -2.104 5.315 218 HB3 CYS 27 HB3 CYS 27 6.031 -3.640 5.342 219 H ILE 28 H ILE 28 4.742 -4.714 1.548 220 HA ILE 28 HA ILE 28 4.697 -7.331 2.858 221 HB ILE 28 HB ILE 28 3.054 -6.392 0.909 222 HG12 ILE 28 HG12 ILE 28 2.402 -8.753 0.553 223 HG13 ILE 28 HG13 ILE 28 3.866 -9.262 1.387 224 HG21 ILE 28 HG21 ILE 28 5.072 -8.093 -0.540 225 HG22 ILE 28 HG22 ILE 28 4.845 -6.355 -0.762 226 HG23 ILE 28 HG23 ILE 28 3.551 -7.473 -1.192 227 HD11 ILE 28 HD11 ILE 28 1.708 -7.570 2.623 228 HD12 ILE 28 HD12 ILE 28 3.101 -8.283 3.437 229 HD13 ILE 28 HD13 ILE 28 1.833 -9.319 2.790 230 H ASN 29 H ASN 29 5.766 -9.025 1.197 231 HA ASN 29 HA ASN 29 8.482 -8.884 1.590 232 HB2 ASN 29 HB2 ASN 29 7.146 -10.370 -0.676 233 HB3 ASN 29 HB3 ASN 29 8.668 -10.776 0.109 234 HD21 ASN 29 HD21 ASN 29 6.073 -12.209 -0.239 235 HD22 ASN 29 HD22 ASN 29 5.630 -12.710 1.355 236 H GLY 30 H GLY 30 9.124 -6.751 0.939 237 HA2 GLY 30 HA2 GLY 30 10.502 -5.552 -0.495 238 HA3 GLY 30 HA3 GLY 30 10.150 -6.710 -1.766 239 H LYS 31 H LYS 31 7.149 -6.090 -0.874 240 HA LYS 31 HA LYS 31 6.964 -3.842 -2.782 241 HB2 LYS 31 HB2 LYS 31 5.425 -6.427 -2.740 242 HB3 LYS 31 HB3 LYS 31 4.760 -4.992 -3.498 243 HG2 LYS 31 HG2 LYS 31 5.747 -6.290 -5.209 244 HG3 LYS 31 HG3 LYS 31 6.803 -4.905 -4.941 245 HD2 LYS 31 HD2 LYS 31 8.311 -6.285 -3.626 246 HD3 LYS 31 HD3 LYS 31 7.234 -7.670 -3.813 247 HE2 LYS 31 HE2 LYS 31 8.607 -6.215 -6.068 248 HE3 LYS 31 HE3 LYS 31 9.161 -7.729 -5.356 249 HZ1 LYS 31 HZ1 LYS 31 7.151 -8.801 -6.078 250 HZ2 LYS 31 HZ2 LYS 31 7.879 -8.047 -7.407 251 HZ3 LYS 31 HZ3 LYS 31 6.528 -7.347 -6.675 252 H CYS 32 H CYS 32 4.477 -3.189 -2.838 253 HA CYS 32 HA CYS 32 3.670 -2.754 -0.047 254 HB2 CYS 32 HB2 CYS 32 4.289 -0.730 -1.386 255 HB3 CYS 32 HB3 CYS 32 2.959 -1.093 -2.484 256 H ASP 33 H ASP 33 2.075 -4.091 0.516 257 HA ASP 33 HA ASP 33 0.091 -4.876 -1.506 258 HB2 ASP 33 HB2 ASP 33 1.155 -6.759 -0.457 259 HB3 ASP 33 HB3 ASP 33 0.792 -6.140 1.148 260 H CYS 34 H CYS 34 -1.695 -3.816 -1.508 261 HA CYS 34 HA CYS 34 -2.443 -2.218 0.816 262 HB2 CYS 34 HB2 CYS 34 -3.691 -2.212 -1.927 263 HB3 CYS 34 HB3 CYS 34 -3.836 -0.975 -0.684 264 H THR 35 H THR 35 -4.552 -2.218 1.703 265 HA THR 35 HA THR 35 -5.929 -4.788 1.420 266 HB THR 35 HB THR 35 -6.447 -2.569 3.396 267 HG1 THR 35 HG1 THR 35 -4.475 -4.508 3.311 268 HG21 THR 35 HG21 THR 35 -8.315 -4.092 3.154 269 HG22 THR 35 HG22 THR 35 -7.521 -4.359 4.709 270 HG23 THR 35 HG23 THR 35 -7.243 -5.480 3.376 271 HA PRO 36 HA PRO 36 -8.859 -2.325 -0.977 272 HB2 PRO 36 HB2 PRO 36 -9.904 -4.337 -2.386 273 HB3 PRO 36 HB3 PRO 36 -8.300 -3.705 -2.753 274 HG2 PRO 36 HG2 PRO 36 -9.069 -6.183 -1.276 275 HG3 PRO 36 HG3 PRO 36 -7.746 -5.929 -2.427 276 HD2 PRO 36 HD2 PRO 36 -7.481 -5.919 0.334 277 HD3 PRO 36 HD3 PRO 36 -6.337 -5.178 -0.802 278 H LYS 37 H LYS 37 -11.098 -2.047 -0.816 279 HA LYS 37 HA LYS 37 -12.357 -3.482 1.374 280 HB2 LYS 37 HB2 LYS 37 -14.207 -1.796 1.057 281 HB3 LYS 37 HB3 LYS 37 -12.656 -1.136 1.543 282 HG2 LYS 37 HG2 LYS 37 -12.228 -0.359 -0.694 283 HG3 LYS 37 HG3 LYS 37 -13.688 -1.153 -1.286 284 HD2 LYS 37 HD2 LYS 37 -13.653 1.042 0.784 285 HD3 LYS 37 HD3 LYS 37 -13.951 1.296 -0.937 286 HE2 LYS 37 HE2 LYS 37 -15.906 -0.156 -0.819 287 HE3 LYS 37 HE3 LYS 37 -15.603 -0.444 0.891 288 HZ1 LYS 37 HZ1 LYS 37 -15.929 1.933 1.284 289 HZ2 LYS 37 HZ2 LYS 37 -17.300 1.213 0.610 290 HZ3 LYS 37 HZ3 LYS 37 -16.285 2.158 -0.354 Start of MODEL 5 1 H1 VAL 1 H1 VAL 1 -3.813 -7.065 -6.373 2 H2 VAL 1 H2 VAL 1 -5.183 -7.849 -5.777 3 H3 VAL 1 H3 VAL 1 -3.741 -7.882 -4.896 4 HA VAL 1 HA VAL 1 -5.294 -5.447 -5.494 5 HB VAL 1 HB VAL 1 -5.837 -5.447 -3.067 6 HG11 VAL 1 HG11 VAL 1 -7.653 -7.037 -3.250 7 HG12 VAL 1 HG12 VAL 1 -6.851 -7.841 -4.594 8 HG13 VAL 1 HG13 VAL 1 -7.440 -6.189 -4.779 9 HG21 VAL 1 HG21 VAL 1 -4.014 -7.002 -2.418 10 HG22 VAL 1 HG22 VAL 1 -4.931 -8.320 -3.146 11 HG23 VAL 1 HG23 VAL 1 -5.589 -7.444 -1.763 12 H GLY 2 H GLY 2 -2.429 -5.945 -5.865 13 HA2 GLY 2 HA2 GLY 2 -1.278 -4.430 -3.625 14 HA3 GLY 2 HA3 GLY 2 -0.368 -5.387 -4.784 15 H ILE 3 H ILE 3 0.624 -2.985 -4.385 16 HA ILE 3 HA ILE 3 -0.190 -1.495 -6.783 17 HB ILE 3 HB ILE 3 0.563 0.593 -5.627 18 HG12 ILE 3 HG12 ILE 3 0.476 -1.184 -3.178 19 HG13 ILE 3 HG13 ILE 3 1.909 -0.419 -3.857 20 HG21 ILE 3 HG21 ILE 3 -1.503 0.827 -4.268 21 HG22 ILE 3 HG22 ILE 3 -1.791 -0.899 -4.488 22 HG23 ILE 3 HG23 ILE 3 -1.778 0.179 -5.884 23 HD11 ILE 3 HD11 ILE 3 0.984 1.775 -3.339 24 HD12 ILE 3 HD12 ILE 3 1.109 0.769 -1.897 25 HD13 ILE 3 HD13 ILE 3 -0.456 1.011 -2.671 26 H ASN 4 H ASN 4 1.522 -0.158 -7.671 27 HA ASN 4 HA ASN 4 3.922 -1.721 -7.972 28 HB2 ASN 4 HB2 ASN 4 4.457 0.084 -9.683 29 HB3 ASN 4 HB3 ASN 4 2.989 -0.845 -9.976 30 HD21 ASN 4 HD21 ASN 4 4.263 2.235 -8.907 31 HD22 ASN 4 HD22 ASN 4 2.797 3.127 -9.127 32 H VAL 5 H VAL 5 3.853 -0.728 -5.402 33 HA VAL 5 HA VAL 5 5.967 1.328 -5.431 34 HB VAL 5 HB VAL 5 3.851 1.057 -3.291 35 HG11 VAL 5 HG11 VAL 5 4.634 3.297 -2.630 36 HG12 VAL 5 HG12 VAL 5 5.893 3.198 -3.859 37 HG13 VAL 5 HG13 VAL 5 5.893 2.070 -2.504 38 HG21 VAL 5 HG21 VAL 5 2.752 2.993 -4.208 39 HG22 VAL 5 HG22 VAL 5 2.841 1.735 -5.439 40 HG23 VAL 5 HG23 VAL 5 3.948 3.108 -5.499 41 H LYS 6 H LYS 6 7.671 0.999 -4.010 42 HA LYS 6 HA LYS 6 7.768 -1.653 -2.826 43 HB2 LYS 6 HB2 LYS 6 10.092 -1.463 -2.721 44 HB3 LYS 6 HB3 LYS 6 9.675 -0.650 -4.219 45 HG2 LYS 6 HG2 LYS 6 9.988 1.498 -3.220 46 HG3 LYS 6 HG3 LYS 6 10.183 0.777 -1.620 47 HD2 LYS 6 HD2 LYS 6 12.188 -0.430 -2.489 48 HD3 LYS 6 HD3 LYS 6 12.026 0.484 -3.989 49 HE2 LYS 6 HE2 LYS 6 12.300 2.570 -2.756 50 HE3 LYS 6 HE3 LYS 6 12.425 1.670 -1.246 51 HZ1 LYS 6 HZ1 LYS 6 14.433 0.625 -2.064 52 HZ2 LYS 6 HZ2 LYS 6 14.594 2.308 -2.103 53 HZ3 LYS 6 HZ3 LYS 6 14.306 1.455 -3.533 54 H CYS 7 H CYS 7 7.893 -2.054 -0.689 55 HA CYS 7 HA CYS 7 6.817 -0.092 1.067 56 HB2 CYS 7 HB2 CYS 7 6.223 -2.383 1.446 57 HB3 CYS 7 HB3 CYS 7 7.915 -2.853 1.593 58 H LYS 8 H LYS 8 8.068 1.593 1.776 59 HA LYS 8 HA LYS 8 10.837 1.067 2.501 60 HB2 LYS 8 HB2 LYS 8 9.206 3.611 2.519 61 HB3 LYS 8 HB3 LYS 8 10.891 3.514 3.008 62 HG2 LYS 8 HG2 LYS 8 11.421 2.666 0.714 63 HG3 LYS 8 HG3 LYS 8 9.749 3.020 0.268 64 HD2 LYS 8 HD2 LYS 8 10.096 5.370 0.885 65 HD3 LYS 8 HD3 LYS 8 11.766 5.005 1.308 66 HE2 LYS 8 HE2 LYS 8 12.203 4.335 -1.002 67 HE3 LYS 8 HE3 LYS 8 10.532 4.704 -1.424 68 HZ1 LYS 8 HZ1 LYS 8 12.524 6.657 -0.410 69 HZ2 LYS 8 HZ2 LYS 8 10.926 7.008 -0.838 70 HZ3 LYS 8 HZ3 LYS 8 12.026 6.508 -2.019 71 H HIS 9 H HIS 9 7.708 1.652 3.883 72 HA HIS 9 HA HIS 9 8.639 0.876 6.516 73 HB2 HIS 9 HB2 HIS 9 7.147 3.487 6.130 74 HB3 HIS 9 HB3 HIS 9 7.682 2.805 7.656 75 HD1 HIS 9 HD1 HIS 9 8.817 4.803 4.768 76 HD2 HIS 9 HD2 HIS 9 10.480 3.047 8.146 77 HE1 HIS 9 HE1 HIS 9 11.148 5.689 4.896 78 HE2 HIS 9 HE2 HIS 9 12.042 4.824 7.094 79 H SER 10 H SER 10 6.969 -0.039 7.726 80 HA SER 10 HA SER 10 4.731 -0.918 6.176 81 HB2 SER 10 HB2 SER 10 4.134 -2.088 8.372 82 HB3 SER 10 HB3 SER 10 5.659 -2.529 7.603 83 HG SER 10 HG SER 10 6.386 -2.128 9.552 84 H GLY 11 H GLY 11 3.841 1.151 5.759 85 HA2 GLY 11 HA2 GLY 11 1.517 1.835 6.908 86 HA3 GLY 11 HA3 GLY 11 2.680 2.671 7.933 87 H GLN 12 H GLN 12 4.553 3.035 5.702 88 HA GLN 12 HA GLN 12 3.725 5.549 4.748 89 HB2 GLN 12 HB2 GLN 12 6.115 4.500 4.858 90 HB3 GLN 12 HB3 GLN 12 5.713 3.837 3.289 91 HG2 GLN 12 HG2 GLN 12 5.300 6.077 2.436 92 HG3 GLN 12 HG3 GLN 12 5.751 6.752 4.002 93 HE21 GLN 12 HE21 GLN 12 6.867 5.247 1.097 94 HE22 GLN 12 HE22 GLN 12 8.548 5.540 1.351 95 H CYS 13 H CYS 13 3.281 2.326 3.615 96 HA CYS 13 HA CYS 13 2.732 2.799 0.905 97 HB2 CYS 13 HB2 CYS 13 1.737 0.584 2.704 98 HB3 CYS 13 HB3 CYS 13 1.704 0.568 0.944 99 H LEU 14 H LEU 14 0.959 3.724 3.609 100 HA LEU 14 HA LEU 14 -1.688 3.397 2.664 101 HB2 LEU 14 HB2 LEU 14 -0.356 4.897 4.809 102 HB3 LEU 14 HB3 LEU 14 -1.839 5.618 4.236 103 HG LEU 14 HG LEU 14 -2.159 4.178 6.216 104 HD11 LEU 14 HD11 LEU 14 -3.442 3.342 3.643 105 HD12 LEU 14 HD12 LEU 14 -4.035 4.521 4.811 106 HD13 LEU 14 HD13 LEU 14 -4.003 2.804 5.224 107 HD21 LEU 14 HD21 LEU 14 -1.440 1.893 4.384 108 HD22 LEU 14 HD22 LEU 14 -1.934 1.790 6.075 109 HD23 LEU 14 HD23 LEU 14 -0.387 2.525 5.650 110 H LYS 15 H LYS 15 0.747 5.883 2.196 111 HA LYS 15 HA LYS 15 -0.923 7.905 1.207 112 HB2 LYS 15 HB2 LYS 15 1.992 7.383 0.633 113 HB3 LYS 15 HB3 LYS 15 1.139 8.850 0.181 114 HG2 LYS 15 HG2 LYS 15 0.673 9.272 2.565 115 HG3 LYS 15 HG3 LYS 15 1.619 7.837 2.975 116 HD2 LYS 15 HD2 LYS 15 3.597 8.815 1.983 117 HD3 LYS 15 HD3 LYS 15 2.669 10.217 1.448 118 HE2 LYS 15 HE2 LYS 15 2.191 10.770 3.793 119 HE3 LYS 15 HE3 LYS 15 3.167 9.394 4.305 120 HZ1 LYS 15 HZ1 LYS 15 5.081 10.417 3.220 121 HZ2 LYS 15 HZ2 LYS 15 4.440 11.420 4.416 122 HZ3 LYS 15 HZ3 LYS 15 4.139 11.755 2.788 123 HA PRO 16 HA PRO 16 -0.180 6.342 -3.249 124 HB2 PRO 16 HB2 PRO 16 0.927 3.901 -3.652 125 HB3 PRO 16 HB3 PRO 16 1.877 5.385 -3.565 126 HG2 PRO 16 HG2 PRO 16 1.450 3.281 -1.496 127 HG3 PRO 16 HG3 PRO 16 2.913 4.203 -1.875 128 HD2 PRO 16 HD2 PRO 16 1.257 4.758 0.236 129 HD3 PRO 16 HD3 PRO 16 2.290 5.959 -0.556 130 H CYS 17 H CYS 17 -1.031 4.106 -0.720 131 HA CYS 17 HA CYS 17 -2.558 2.343 -2.360 132 HB2 CYS 17 HB2 CYS 17 -1.518 1.735 -0.154 133 HB3 CYS 17 HB3 CYS 17 -2.777 2.689 0.627 134 H LYS 18 H LYS 18 -3.363 5.095 -0.267 135 HA LYS 18 HA LYS 18 -6.165 4.836 -0.633 136 HB2 LYS 18 HB2 LYS 18 -6.337 7.023 0.347 137 HB3 LYS 18 HB3 LYS 18 -5.115 6.115 1.220 138 HG2 LYS 18 HG2 LYS 18 -3.359 7.299 0.095 139 HG3 LYS 18 HG3 LYS 18 -4.531 8.127 -0.933 140 HD2 LYS 18 HD2 LYS 18 -5.527 9.121 1.128 141 HD3 LYS 18 HD3 LYS 18 -4.226 8.383 2.061 142 HE2 LYS 18 HE2 LYS 18 -3.605 10.638 1.661 143 HE3 LYS 18 HE3 LYS 18 -2.609 9.630 0.612 144 HZ1 LYS 18 HZ1 LYS 18 -3.394 11.494 -0.628 145 HZ2 LYS 18 HZ2 LYS 18 -4.996 11.202 -0.174 146 HZ3 LYS 18 HZ3 LYS 18 -4.202 10.120 -1.200 147 H LYS 19 H LYS 19 -3.610 6.068 -2.561 148 HA LYS 19 HA LYS 19 -5.386 7.545 -4.333 149 HB2 LYS 19 HB2 LYS 19 -2.416 6.991 -4.445 150 HB3 LYS 19 HB3 LYS 19 -3.287 7.855 -5.702 151 HG2 LYS 19 HG2 LYS 19 -4.007 9.468 -3.874 152 HG3 LYS 19 HG3 LYS 19 -2.773 8.699 -2.872 153 HD2 LYS 19 HD2 LYS 19 -2.246 9.922 -5.577 154 HD3 LYS 19 HD3 LYS 19 -2.007 10.764 -4.049 155 HE2 LYS 19 HE2 LYS 19 -0.655 8.165 -4.748 156 HE3 LYS 19 HE3 LYS 19 0.058 9.748 -5.056 157 HZ1 LYS 19 HZ1 LYS 19 -0.723 8.686 -2.393 158 HZ2 LYS 19 HZ2 LYS 19 -0.063 10.214 -2.685 159 HZ3 LYS 19 HZ3 LYS 19 0.855 8.830 -2.985 160 H ALA 20 H ALA 20 -4.695 4.453 -3.730 161 HA ALA 20 HA ALA 20 -4.850 3.538 -6.511 162 HB1 ALA 20 HB1 ALA 20 -4.427 2.014 -3.936 163 HB2 ALA 20 HB2 ALA 20 -3.190 2.432 -5.129 164 HB3 ALA 20 HB3 ALA 20 -4.470 1.291 -5.548 165 H GLY 21 H GLY 21 -6.771 4.173 -3.797 166 HA2 GLY 21 HA2 GLY 21 -9.127 4.153 -3.813 167 HA3 GLY 21 HA3 GLY 21 -9.083 2.965 -5.109 168 H MET 22 H MET 22 -6.896 2.158 -2.702 169 HA MET 22 HA MET 22 -8.723 0.090 -1.740 170 HB2 MET 22 HB2 MET 22 -5.716 0.306 -1.587 171 HB3 MET 22 HB3 MET 22 -6.645 -0.987 -0.857 172 HG2 MET 22 HG2 MET 22 -6.527 -0.340 -3.787 173 HG3 MET 22 HG3 MET 22 -5.714 -1.677 -2.975 174 HE1 MET 22 HE1 MET 22 -6.783 -3.332 -4.783 175 HE2 MET 22 HE2 MET 22 -7.613 -1.975 -5.543 176 HE3 MET 22 HE3 MET 22 -8.513 -3.427 -5.110 177 H ARG 23 H ARG 23 -7.932 -0.612 0.681 178 HA ARG 23 HA ARG 23 -8.813 1.727 2.167 179 HB2 ARG 23 HB2 ARG 23 -9.917 -0.509 2.414 180 HB3 ARG 23 HB3 ARG 23 -8.444 -1.096 3.169 181 HG2 ARG 23 HG2 ARG 23 -8.798 0.069 5.092 182 HG3 ARG 23 HG3 ARG 23 -9.728 1.331 4.288 183 HD2 ARG 23 HD2 ARG 23 -11.083 -0.144 5.769 184 HD3 ARG 23 HD3 ARG 23 -11.637 -0.103 4.098 185 HE ARG 23 HE ARG 23 -9.960 -2.260 4.232 186 HH11 ARG 23 HH11 ARG 23 -12.843 -1.257 5.947 187 HH12 ARG 23 HH12 ARG 23 -13.384 -2.877 6.246 188 HH21 ARG 23 HH21 ARG 23 -10.663 -4.391 4.634 189 HH22 ARG 23 HH22 ARG 23 -12.132 -4.662 5.513 190 H PHE 24 H PHE 24 -6.450 -0.822 3.017 191 HA PHE 24 HA PHE 24 -4.607 1.332 3.807 192 HB2 PHE 24 HB2 PHE 24 -4.077 -1.172 5.185 193 HB3 PHE 24 HB3 PHE 24 -4.232 0.448 5.840 194 HD1 PHE 24 HD1 PHE 24 -6.045 -2.547 4.852 195 HD2 PHE 24 HD2 PHE 24 -6.220 1.105 6.987 196 HE1 PHE 24 HE1 PHE 24 -8.147 -3.265 5.840 197 HE2 PHE 24 HE2 PHE 24 -8.346 0.399 8.019 198 HZ PHE 24 HZ PHE 24 -9.313 -1.797 7.452 199 H GLY 25 H GLY 25 -2.332 0.513 3.913 200 HA2 GLY 25 HA2 GLY 25 -1.792 -1.518 1.867 201 HA3 GLY 25 HA3 GLY 25 -0.984 0.043 1.814 202 H LYS 26 H LYS 26 -0.833 -3.099 2.948 203 HA LYS 26 HA LYS 26 0.831 -2.482 5.259 204 HB2 LYS 26 HB2 LYS 26 0.786 -4.883 5.693 205 HB3 LYS 26 HB3 LYS 26 -0.841 -4.270 5.454 206 HG2 LYS 26 HG2 LYS 26 -0.935 -5.186 3.248 207 HG3 LYS 26 HG3 LYS 26 0.764 -5.650 3.322 208 HD2 LYS 26 HD2 LYS 26 -0.556 -7.610 3.690 209 HD3 LYS 26 HD3 LYS 26 0.196 -7.167 5.219 210 HE2 LYS 26 HE2 LYS 26 -2.576 -6.246 4.551 211 HE3 LYS 26 HE3 LYS 26 -2.297 -7.864 5.186 212 HZ1 LYS 26 HZ1 LYS 26 -1.203 -6.836 7.115 213 HZ2 LYS 26 HZ2 LYS 26 -2.818 -6.368 6.967 214 HZ3 LYS 26 HZ3 LYS 26 -1.592 -5.304 6.515 215 H CYS 27 H CYS 27 2.846 -3.830 5.492 216 HA CYS 27 HA CYS 27 4.478 -3.385 3.147 217 HB2 CYS 27 HB2 CYS 27 5.169 -2.830 5.540 218 HB3 CYS 27 HB3 CYS 27 5.368 -4.563 5.777 219 H ILE 28 H ILE 28 4.885 -4.889 1.695 220 HA ILE 28 HA ILE 28 4.624 -7.703 2.482 221 HB ILE 28 HB ILE 28 3.053 -6.385 0.651 222 HG12 ILE 28 HG12 ILE 28 2.279 -8.623 0.002 223 HG13 ILE 28 HG13 ILE 28 3.712 -9.330 0.745 224 HG21 ILE 28 HG21 ILE 28 5.075 -7.969 -0.919 225 HG22 ILE 28 HG22 ILE 28 4.877 -6.214 -0.957 226 HG23 ILE 28 HG23 ILE 28 3.587 -7.258 -1.553 227 HD11 ILE 28 HD11 ILE 28 1.640 -7.722 2.220 228 HD12 ILE 28 HD12 ILE 28 2.993 -8.613 2.919 229 HD13 ILE 28 HD13 ILE 28 1.676 -9.482 2.136 230 H ASN 29 H ASN 29 5.790 -9.064 0.615 231 HA ASN 29 HA ASN 29 8.492 -8.916 1.019 232 HB2 ASN 29 HB2 ASN 29 7.265 -9.955 -1.535 233 HB3 ASN 29 HB3 ASN 29 8.751 -10.493 -0.763 234 HD21 ASN 29 HD21 ASN 29 7.583 -10.454 1.912 235 HD22 ASN 29 HD22 ASN 29 6.528 -11.821 1.988 236 H GLY 30 H GLY 30 9.160 -6.753 0.821 237 HA2 GLY 30 HA2 GLY 30 10.435 -5.193 -0.297 238 HA3 GLY 30 HA3 GLY 30 10.193 -6.104 -1.775 239 H LYS 31 H LYS 31 7.122 -5.797 -0.951 240 HA LYS 31 HA LYS 31 6.936 -3.235 -2.401 241 HB2 LYS 31 HB2 LYS 31 5.323 -5.735 -2.909 242 HB3 LYS 31 HB3 LYS 31 5.024 -4.178 -3.666 243 HG2 LYS 31 HG2 LYS 31 7.505 -5.856 -3.967 244 HG3 LYS 31 HG3 LYS 31 6.234 -5.633 -5.170 245 HD2 LYS 31 HD2 LYS 31 6.752 -3.228 -5.247 246 HD3 LYS 31 HD3 LYS 31 8.048 -3.481 -4.075 247 HE2 LYS 31 HE2 LYS 31 9.041 -3.407 -6.240 248 HE3 LYS 31 HE3 LYS 31 9.086 -5.078 -5.686 249 HZ1 LYS 31 HZ1 LYS 31 7.088 -5.493 -7.028 250 HZ2 LYS 31 HZ2 LYS 31 8.407 -5.014 -7.965 251 HZ3 LYS 31 HZ3 LYS 31 7.167 -3.915 -7.624 252 H CYS 32 H CYS 32 4.637 -2.387 -2.424 253 HA CYS 32 HA CYS 32 3.507 -2.595 0.263 254 HB2 CYS 32 HB2 CYS 32 3.039 -0.616 -1.980 255 HB3 CYS 32 HB3 CYS 32 2.157 -0.604 -0.458 256 H ASP 33 H ASP 33 1.911 -3.956 0.571 257 HA ASP 33 HA ASP 33 0.196 -4.687 -1.716 258 HB2 ASP 33 HB2 ASP 33 1.476 -6.509 -0.543 259 HB3 ASP 33 HB3 ASP 33 0.517 -6.171 0.893 260 H CYS 34 H CYS 34 -1.849 -4.003 -1.717 261 HA CYS 34 HA CYS 34 -2.769 -2.520 0.604 262 HB2 CYS 34 HB2 CYS 34 -3.705 -2.660 -2.238 263 HB3 CYS 34 HB3 CYS 34 -4.653 -1.873 -0.988 264 H THR 35 H THR 35 -4.769 -2.761 1.552 265 HA THR 35 HA THR 35 -6.051 -5.379 1.097 266 HB THR 35 HB THR 35 -6.006 -3.625 3.539 267 HG1 THR 35 HG1 THR 35 -4.375 -5.573 2.671 268 HG21 THR 35 HG21 THR 35 -8.165 -4.785 3.267 269 HG22 THR 35 HG22 THR 35 -7.261 -5.353 4.674 270 HG23 THR 35 HG23 THR 35 -7.300 -6.324 3.201 271 HA PRO 36 HA PRO 36 -9.391 -2.768 -0.344 272 HB2 PRO 36 HB2 PRO 36 -11.039 -4.741 -1.127 273 HB3 PRO 36 HB3 PRO 36 -9.608 -4.295 -2.059 274 HG2 PRO 36 HG2 PRO 36 -10.000 -6.574 -0.162 275 HG3 PRO 36 HG3 PRO 36 -9.172 -6.550 -1.729 276 HD2 PRO 36 HD2 PRO 36 -7.874 -6.425 0.676 277 HD3 PRO 36 HD3 PRO 36 -7.229 -5.736 -0.827 278 H LYS 37 H LYS 37 -11.747 -2.612 0.116 279 HA LYS 37 HA LYS 37 -12.243 -3.192 2.919 280 HB2 LYS 37 HB2 LYS 37 -14.325 -1.770 2.471 281 HB3 LYS 37 HB3 LYS 37 -12.765 -0.965 2.403 282 HG2 LYS 37 HG2 LYS 37 -12.818 -0.818 0.065 283 HG3 LYS 37 HG3 LYS 37 -14.108 -2.013 -0.066 284 HD2 LYS 37 HD2 LYS 37 -14.637 0.490 1.459 285 HD3 LYS 37 HD3 LYS 37 -14.595 0.572 -0.302 286 HE2 LYS 37 HE2 LYS 37 -16.868 0.198 0.645 287 HE3 LYS 37 HE3 LYS 37 -16.349 -1.042 -0.490 288 HZ1 LYS 37 HZ1 LYS 37 -15.794 -2.471 1.388 289 HZ2 LYS 37 HZ2 LYS 37 -17.421 -2.011 1.433 290 HZ3 LYS 37 HZ3 LYS 37 -16.309 -1.274 2.470 Start of MODEL 6 1 H1 VAL 1 H1 VAL 1 -3.669 -8.045 -4.398 2 H2 VAL 1 H2 VAL 1 -3.414 -7.556 -5.997 3 H3 VAL 1 H3 VAL 1 -4.931 -8.122 -5.520 4 HA VAL 1 HA VAL 1 -4.864 -5.713 -5.755 5 HB VAL 1 HB VAL 1 -5.772 -5.174 -3.465 6 HG11 VAL 1 HG11 VAL 1 -7.761 -6.515 -3.772 7 HG12 VAL 1 HG12 VAL 1 -6.878 -7.645 -4.798 8 HG13 VAL 1 HG13 VAL 1 -7.155 -5.990 -5.341 9 HG21 VAL 1 HG21 VAL 1 -4.332 -6.832 -2.299 10 HG22 VAL 1 HG22 VAL 1 -5.331 -8.115 -2.982 11 HG23 VAL 1 HG23 VAL 1 -6.038 -6.938 -1.875 12 H GLY 2 H GLY 2 -2.085 -6.259 -5.626 13 HA2 GLY 2 HA2 GLY 2 -1.180 -4.342 -3.581 14 HA3 GLY 2 HA3 GLY 2 -0.148 -5.506 -4.405 15 H ILE 3 H ILE 3 0.582 -2.845 -4.303 16 HA ILE 3 HA ILE 3 0.023 -1.932 -7.042 17 HB ILE 3 HB ILE 3 0.674 0.353 -6.238 18 HG12 ILE 3 HG12 ILE 3 0.408 -0.956 -3.522 19 HG13 ILE 3 HG13 ILE 3 1.887 -0.302 -4.216 20 HG21 ILE 3 HG21 ILE 3 -1.496 0.790 -5.141 21 HG22 ILE 3 HG22 ILE 3 -1.739 -0.950 -4.988 22 HG23 ILE 3 HG23 ILE 3 -1.641 -0.211 -6.586 23 HD11 ILE 3 HD11 ILE 3 1.102 1.918 -4.034 24 HD12 ILE 3 HD12 ILE 3 0.731 1.127 -2.501 25 HD13 ILE 3 HD13 ILE 3 -0.544 1.379 -3.693 26 H ASN 4 H ASN 4 1.790 -0.660 -8.004 27 HA ASN 4 HA ASN 4 4.133 -2.302 -8.045 28 HB2 ASN 4 HB2 ASN 4 4.866 -0.817 -9.874 29 HB3 ASN 4 HB3 ASN 4 3.221 -1.396 -10.116 30 HD21 ASN 4 HD21 ASN 4 5.186 1.365 -9.220 31 HD22 ASN 4 HD22 ASN 4 3.969 2.558 -9.512 32 H VAL 5 H VAL 5 3.443 -0.261 -5.780 33 HA VAL 5 HA VAL 5 5.861 1.363 -5.814 34 HB VAL 5 HB VAL 5 3.703 1.265 -3.701 35 HG11 VAL 5 HG11 VAL 5 5.742 2.265 -2.910 36 HG12 VAL 5 HG12 VAL 5 4.537 3.525 -3.151 37 HG13 VAL 5 HG13 VAL 5 5.828 3.306 -4.328 38 HG21 VAL 5 HG21 VAL 5 2.642 3.119 -4.759 39 HG22 VAL 5 HG22 VAL 5 2.817 1.839 -5.958 40 HG23 VAL 5 HG23 VAL 5 3.910 3.224 -5.979 41 H LYS 6 H LYS 6 7.567 1.052 -4.413 42 HA LYS 6 HA LYS 6 7.648 -1.509 -3.048 43 HB2 LYS 6 HB2 LYS 6 10.029 -0.916 -2.603 44 HB3 LYS 6 HB3 LYS 6 9.607 -0.935 -4.309 45 HG2 LYS 6 HG2 LYS 6 9.433 1.510 -4.281 46 HG3 LYS 6 HG3 LYS 6 9.890 1.510 -2.577 47 HD2 LYS 6 HD2 LYS 6 11.799 2.015 -4.019 48 HD3 LYS 6 HD3 LYS 6 12.034 0.506 -3.139 49 HE2 LYS 6 HE2 LYS 6 11.489 -0.783 -5.086 50 HE3 LYS 6 HE3 LYS 6 11.021 0.667 -5.972 51 HZ1 LYS 6 HZ1 LYS 6 13.299 1.423 -5.893 52 HZ2 LYS 6 HZ2 LYS 6 13.227 -0.114 -6.593 53 HZ3 LYS 6 HZ3 LYS 6 13.758 0.064 -4.997 54 H CYS 7 H CYS 7 7.522 -1.810 -0.902 55 HA CYS 7 HA CYS 7 6.721 0.502 0.675 56 HB2 CYS 7 HB2 CYS 7 5.339 -1.555 0.714 57 HB3 CYS 7 HB3 CYS 7 6.689 -2.416 1.446 58 H LYS 8 H LYS 8 8.334 1.592 1.717 59 HA LYS 8 HA LYS 8 10.556 0.066 2.826 60 HB2 LYS 8 HB2 LYS 8 9.977 3.037 2.857 61 HB3 LYS 8 HB3 LYS 8 11.418 2.289 3.533 62 HG2 LYS 8 HG2 LYS 8 12.035 1.472 1.316 63 HG3 LYS 8 HG3 LYS 8 10.587 2.211 0.639 64 HD2 LYS 8 HD2 LYS 8 12.486 3.635 0.217 65 HD3 LYS 8 HD3 LYS 8 11.417 4.421 1.377 66 HE2 LYS 8 HE2 LYS 8 13.759 4.673 2.013 67 HE3 LYS 8 HE3 LYS 8 12.873 3.725 3.205 68 HZ1 LYS 8 HZ1 LYS 8 15.070 2.804 2.667 69 HZ2 LYS 8 HZ2 LYS 8 14.580 2.567 1.069 70 HZ3 LYS 8 HZ3 LYS 8 13.819 1.722 2.321 71 H HIS 9 H HIS 9 7.677 1.794 3.791 72 HA HIS 9 HA HIS 9 7.818 0.590 6.443 73 HB2 HIS 9 HB2 HIS 9 7.293 3.558 6.118 74 HB3 HIS 9 HB3 HIS 9 7.417 2.657 7.624 75 HD1 HIS 9 HD1 HIS 9 9.415 4.436 5.101 76 HD2 HIS 9 HD2 HIS 9 10.099 1.885 8.312 77 HE1 HIS 9 HE1 HIS 9 11.887 4.502 5.496 78 HE2 HIS 9 HE2 HIS 9 12.295 2.924 7.413 79 H SER 10 H SER 10 5.693 0.504 7.483 80 HA SER 10 HA SER 10 3.662 -0.074 5.627 81 HB2 SER 10 HB2 SER 10 2.195 -0.213 7.703 82 HB3 SER 10 HB3 SER 10 3.622 -1.244 7.687 83 HG SER 10 HG SER 10 3.864 -0.329 9.587 84 H GLY 11 H GLY 11 4.133 2.713 7.766 85 HA2 GLY 11 HA2 GLY 11 1.752 4.077 7.107 86 HA3 GLY 11 HA3 GLY 11 3.216 4.823 7.731 87 H GLN 12 H GLN 12 4.746 3.714 5.423 88 HA GLN 12 HA GLN 12 4.331 5.905 3.609 89 HB2 GLN 12 HB2 GLN 12 6.596 5.140 4.090 90 HB3 GLN 12 HB3 GLN 12 6.207 3.535 3.499 91 HG2 GLN 12 HG2 GLN 12 5.901 4.395 1.267 92 HG3 GLN 12 HG3 GLN 12 6.222 6.033 1.832 93 HE21 GLN 12 HE21 GLN 12 8.309 6.626 2.357 94 HE22 GLN 12 HE22 GLN 12 9.682 5.682 1.899 95 H CYS 13 H CYS 13 3.439 2.570 3.805 96 HA CYS 13 HA CYS 13 2.923 2.177 1.017 97 HB2 CYS 13 HB2 CYS 13 3.450 0.341 2.638 98 HB3 CYS 13 HB3 CYS 13 1.891 0.617 3.402 99 H LEU 14 H LEU 14 1.236 3.474 3.718 100 HA LEU 14 HA LEU 14 -1.417 3.195 2.777 101 HB2 LEU 14 HB2 LEU 14 -0.045 4.462 4.981 102 HB3 LEU 14 HB3 LEU 14 -1.313 5.493 4.361 103 HG LEU 14 HG LEU 14 -2.133 4.141 6.205 104 HD11 LEU 14 HD11 LEU 14 -3.518 4.705 4.162 105 HD12 LEU 14 HD12 LEU 14 -4.124 3.426 5.212 106 HD13 LEU 14 HD13 LEU 14 -3.323 3.019 3.693 107 HD21 LEU 14 HD21 LEU 14 -1.547 1.722 4.506 108 HD22 LEU 14 HD22 LEU 14 -2.216 1.750 6.138 109 HD23 LEU 14 HD23 LEU 14 -0.546 2.245 5.861 110 H LYS 15 H LYS 15 1.118 5.453 2.072 111 HA LYS 15 HA LYS 15 -0.511 7.650 1.370 112 HB2 LYS 15 HB2 LYS 15 2.341 7.074 0.569 113 HB3 LYS 15 HB3 LYS 15 1.523 8.617 0.381 114 HG2 LYS 15 HG2 LYS 15 2.159 7.223 2.973 115 HG3 LYS 15 HG3 LYS 15 2.940 8.667 2.328 116 HD2 LYS 15 HD2 LYS 15 0.761 9.842 2.446 117 HD3 LYS 15 HD3 LYS 15 0.063 8.408 3.199 118 HE2 LYS 15 HE2 LYS 15 2.335 10.060 4.295 119 HE3 LYS 15 HE3 LYS 15 0.668 10.095 4.862 120 HZ1 LYS 15 HZ1 LYS 15 2.513 7.770 4.994 121 HZ2 LYS 15 HZ2 LYS 15 0.897 7.755 5.489 122 HZ3 LYS 15 HZ3 LYS 15 2.016 8.730 6.295 123 HA PRO 16 HA PRO 16 -0.135 6.413 -3.184 124 HB2 PRO 16 HB2 PRO 16 1.049 4.153 -3.980 125 HB3 PRO 16 HB3 PRO 16 1.996 5.595 -3.594 126 HG2 PRO 16 HG2 PRO 16 1.509 3.152 -1.941 127 HG3 PRO 16 HG3 PRO 16 3.001 4.071 -2.163 128 HD2 PRO 16 HD2 PRO 16 1.324 4.327 0.004 129 HD3 PRO 16 HD3 PRO 16 2.449 5.580 -0.545 130 H CYS 17 H CYS 17 -0.830 4.045 -0.802 131 HA CYS 17 HA CYS 17 -2.405 2.315 -2.438 132 HB2 CYS 17 HB2 CYS 17 -1.269 1.570 -0.368 133 HB3 CYS 17 HB3 CYS 17 -2.361 2.587 0.569 134 H LYS 18 H LYS 18 -3.096 4.995 -0.231 135 HA LYS 18 HA LYS 18 -5.893 4.687 -0.227 136 HB2 LYS 18 HB2 LYS 18 -5.971 6.944 0.660 137 HB3 LYS 18 HB3 LYS 18 -4.684 6.042 1.432 138 HG2 LYS 18 HG2 LYS 18 -3.039 7.154 0.046 139 HG3 LYS 18 HG3 LYS 18 -4.318 8.025 -0.801 140 HD2 LYS 18 HD2 LYS 18 -3.991 8.227 2.177 141 HD3 LYS 18 HD3 LYS 18 -3.038 9.231 1.090 142 HE2 LYS 18 HE2 LYS 18 -4.952 10.483 1.804 143 HE3 LYS 18 HE3 LYS 18 -5.154 10.079 0.103 144 HZ1 LYS 18 HZ1 LYS 18 -6.401 8.519 2.298 145 HZ2 LYS 18 HZ2 LYS 18 -6.750 8.438 0.644 146 HZ3 LYS 18 HZ3 LYS 18 -7.169 9.811 1.530 147 H LYS 19 H LYS 19 -3.691 6.206 -2.466 148 HA LYS 19 HA LYS 19 -5.833 7.563 -3.884 149 HB2 LYS 19 HB2 LYS 19 -4.160 8.607 -5.165 150 HB3 LYS 19 HB3 LYS 19 -3.486 8.489 -3.550 151 HG2 LYS 19 HG2 LYS 19 -2.210 6.500 -4.264 152 HG3 LYS 19 HG3 LYS 19 -2.824 6.741 -5.901 153 HD2 LYS 19 HD2 LYS 19 -1.822 9.010 -5.895 154 HD3 LYS 19 HD3 LYS 19 -1.128 8.664 -4.311 155 HE2 LYS 19 HE2 LYS 19 0.563 8.294 -5.952 156 HE3 LYS 19 HE3 LYS 19 0.057 6.724 -5.334 157 HZ1 LYS 19 HZ1 LYS 19 -1.314 6.431 -7.298 158 HZ2 LYS 19 HZ2 LYS 19 0.293 6.708 -7.737 159 HZ3 LYS 19 HZ3 LYS 19 -0.847 7.948 -7.884 160 H ALA 20 H ALA 20 -4.275 4.622 -3.812 161 HA ALA 20 HA ALA 20 -4.761 3.754 -6.494 162 HB1 ALA 20 HB1 ALA 20 -4.321 2.164 -3.963 163 HB2 ALA 20 HB2 ALA 20 -3.078 2.657 -5.119 164 HB3 ALA 20 HB3 ALA 20 -4.321 1.501 -5.602 165 H GLY 21 H GLY 21 -6.723 4.331 -3.805 166 HA2 GLY 21 HA2 GLY 21 -9.065 4.264 -3.820 167 HA3 GLY 21 HA3 GLY 21 -9.004 3.143 -5.172 168 H MET 22 H MET 22 -6.842 2.277 -2.746 169 HA MET 22 HA MET 22 -8.628 0.106 -1.963 170 HB2 MET 22 HB2 MET 22 -5.652 0.431 -1.538 171 HB3 MET 22 HB3 MET 22 -6.597 -0.953 -1.034 172 HG2 MET 22 HG2 MET 22 -6.229 -0.031 -3.869 173 HG3 MET 22 HG3 MET 22 -5.405 -1.385 -3.100 174 HE1 MET 22 HE1 MET 22 -6.165 -2.971 -5.090 175 HE2 MET 22 HE2 MET 22 -6.996 -1.616 -5.856 176 HE3 MET 22 HE3 MET 22 -7.841 -3.147 -5.614 177 H ARG 23 H ARG 23 -7.862 -0.642 0.485 178 HA ARG 23 HA ARG 23 -8.943 1.589 2.015 179 HB2 ARG 23 HB2 ARG 23 -9.926 -0.743 2.103 180 HB3 ARG 23 HB3 ARG 23 -8.487 -1.229 2.983 181 HG2 ARG 23 HG2 ARG 23 -9.111 -0.165 4.876 182 HG3 ARG 23 HG3 ARG 23 -9.958 1.115 4.010 183 HD2 ARG 23 HD2 ARG 23 -11.418 -0.448 5.326 184 HD3 ARG 23 HD3 ARG 23 -11.845 -0.265 3.628 185 HE ARG 23 HE ARG 23 -10.429 -2.437 3.432 186 HH11 ARG 23 HH11 ARG 23 -12.551 -1.589 6.089 187 HH12 ARG 23 HH12 ARG 23 -12.999 -3.235 6.416 188 HH21 ARG 23 HH21 ARG 23 -11.028 -4.591 3.854 189 HH22 ARG 23 HH22 ARG 23 -12.138 -4.943 5.141 190 H PHE 24 H PHE 24 -6.564 -0.901 2.971 191 HA PHE 24 HA PHE 24 -4.814 1.286 3.873 192 HB2 PHE 24 HB2 PHE 24 -4.332 -1.210 5.289 193 HB3 PHE 24 HB3 PHE 24 -4.566 0.407 5.932 194 HD1 PHE 24 HD1 PHE 24 -6.198 -2.674 4.914 195 HD2 PHE 24 HD2 PHE 24 -6.689 1.068 6.842 196 HE1 PHE 24 HE1 PHE 24 -8.370 -3.413 5.743 197 HE2 PHE 24 HE2 PHE 24 -8.872 0.334 7.721 198 HZ PHE 24 HZ PHE 24 -9.718 -1.918 7.175 199 H GLY 25 H GLY 25 -2.534 0.356 4.215 200 HA2 GLY 25 HA2 GLY 25 -1.863 -1.603 2.145 201 HA3 GLY 25 HA3 GLY 25 -1.071 -0.031 2.142 202 H LYS 26 H LYS 26 -0.833 -3.165 3.153 203 HA LYS 26 HA LYS 26 0.741 -2.588 5.544 204 HB2 LYS 26 HB2 LYS 26 0.803 -5.018 5.848 205 HB3 LYS 26 HB3 LYS 26 -0.851 -4.456 5.648 206 HG2 LYS 26 HG2 LYS 26 -0.829 -5.188 3.325 207 HG3 LYS 26 HG3 LYS 26 0.843 -5.721 3.507 208 HD2 LYS 26 HD2 LYS 26 -0.735 -7.594 3.672 209 HD3 LYS 26 HD3 LYS 26 0.158 -7.359 5.173 210 HE2 LYS 26 HE2 LYS 26 -1.719 -6.317 6.214 211 HE3 LYS 26 HE3 LYS 26 -2.596 -6.239 4.687 212 HZ1 LYS 26 HZ1 LYS 26 -1.835 -8.744 6.087 213 HZ2 LYS 26 HZ2 LYS 26 -2.747 -8.630 4.667 214 HZ3 LYS 26 HZ3 LYS 26 -3.372 -8.039 6.120 215 H CYS 27 H CYS 27 2.914 -3.469 5.729 216 HA CYS 27 HA CYS 27 4.351 -2.987 3.273 217 HB2 CYS 27 HB2 CYS 27 4.933 -2.380 5.851 218 HB3 CYS 27 HB3 CYS 27 5.871 -3.859 5.649 219 H ILE 28 H ILE 28 4.528 -4.576 1.869 220 HA ILE 28 HA ILE 28 4.756 -7.325 2.818 221 HB ILE 28 HB ILE 28 3.393 -6.108 0.662 222 HG12 ILE 28 HG12 ILE 28 2.495 -8.315 0.291 223 HG13 ILE 28 HG13 ILE 28 3.838 -9.053 1.162 224 HG21 ILE 28 HG21 ILE 28 5.564 -7.937 -0.322 225 HG22 ILE 28 HG22 ILE 28 5.361 -6.232 -0.712 226 HG23 ILE 28 HG23 ILE 28 4.173 -7.412 -1.270 227 HD11 ILE 28 HD11 ILE 28 1.905 -7.140 2.429 228 HD12 ILE 28 HD12 ILE 28 3.068 -8.192 3.231 229 HD13 ILE 28 HD13 ILE 28 1.670 -8.884 2.410 230 H ASN 29 H ASN 29 6.364 -8.679 1.531 231 HA ASN 29 HA ASN 29 8.930 -7.715 2.086 232 HB2 ASN 29 HB2 ASN 29 8.270 -9.967 0.181 233 HB3 ASN 29 HB3 ASN 29 9.773 -9.732 1.066 234 HD21 ASN 29 HD21 ASN 29 6.555 -10.916 1.167 235 HD22 ASN 29 HD22 ASN 29 6.621 -11.579 2.766 236 H GLY 30 H GLY 30 9.031 -5.679 1.033 237 HA2 GLY 30 HA2 GLY 30 10.400 -4.647 -0.614 238 HA3 GLY 30 HA3 GLY 30 9.960 -5.922 -1.738 239 H LYS 31 H LYS 31 7.022 -5.494 -0.734 240 HA LYS 31 HA LYS 31 6.603 -3.292 -2.652 241 HB2 LYS 31 HB2 LYS 31 5.171 -5.946 -2.601 242 HB3 LYS 31 HB3 LYS 31 4.668 -4.573 -3.571 243 HG2 LYS 31 HG2 LYS 31 7.331 -5.958 -3.794 244 HG3 LYS 31 HG3 LYS 31 5.945 -6.253 -4.842 245 HD2 LYS 31 HD2 LYS 31 7.355 -3.603 -4.512 246 HD3 LYS 31 HD3 LYS 31 7.593 -4.722 -5.851 247 HE2 LYS 31 HE2 LYS 31 5.003 -3.354 -5.129 248 HE3 LYS 31 HE3 LYS 31 6.072 -2.903 -6.453 249 HZ1 LYS 31 HZ1 LYS 31 4.159 -4.259 -7.159 250 HZ2 LYS 31 HZ2 LYS 31 4.725 -5.539 -6.212 251 HZ3 LYS 31 HZ3 LYS 31 5.640 -4.989 -7.522 252 H CYS 32 H CYS 32 4.558 -2.258 -2.594 253 HA CYS 32 HA CYS 32 3.410 -2.087 0.078 254 HB2 CYS 32 HB2 CYS 32 4.004 -0.030 -1.184 255 HB3 CYS 32 HB3 CYS 32 2.853 -0.476 -2.435 256 H ASP 33 H ASP 33 1.971 -3.615 0.506 257 HA ASP 33 HA ASP 33 0.178 -4.542 -1.637 258 HB2 ASP 33 HB2 ASP 33 1.542 -6.241 -0.416 259 HB3 ASP 33 HB3 ASP 33 0.688 -5.805 1.059 260 H CYS 34 H CYS 34 -1.912 -4.036 -1.607 261 HA CYS 34 HA CYS 34 -2.862 -2.445 0.648 262 HB2 CYS 34 HB2 CYS 34 -3.826 -2.712 -2.186 263 HB3 CYS 34 HB3 CYS 34 -4.711 -1.831 -0.953 264 H THR 35 H THR 35 -4.889 -2.726 1.575 265 HA THR 35 HA THR 35 -6.070 -5.400 1.198 266 HB THR 35 HB THR 35 -6.550 -3.387 3.385 267 HG1 THR 35 HG1 THR 35 -4.493 -5.104 2.978 268 HG21 THR 35 HG21 THR 35 -8.396 -4.966 3.055 269 HG22 THR 35 HG22 THR 35 -7.572 -5.232 4.593 270 HG23 THR 35 HG23 THR 35 -7.265 -6.309 3.231 271 HA PRO 36 HA PRO 36 -9.435 -3.198 -0.768 272 HB2 PRO 36 HB2 PRO 36 -10.957 -5.422 -1.285 273 HB3 PRO 36 HB3 PRO 36 -9.626 -4.872 -2.297 274 HG2 PRO 36 HG2 PRO 36 -9.789 -7.197 -0.550 275 HG3 PRO 36 HG3 PRO 36 -8.612 -6.829 -1.817 276 HD2 PRO 36 HD2 PRO 36 -8.315 -6.590 1.025 277 HD3 PRO 36 HD3 PRO 36 -7.114 -6.272 -0.236 278 H LYS 37 H LYS 37 -11.701 -2.807 -0.384 279 HA LYS 37 HA LYS 37 -12.417 -3.211 2.393 280 HB2 LYS 37 HB2 LYS 37 -12.588 -0.956 1.653 281 HB3 LYS 37 HB3 LYS 37 -13.458 -1.425 0.198 282 HG2 LYS 37 HG2 LYS 37 -15.382 -2.004 1.463 283 HG3 LYS 37 HG3 LYS 37 -14.533 -1.740 2.986 284 HD2 LYS 37 HD2 LYS 37 -15.985 0.151 2.472 285 HD3 LYS 37 HD3 LYS 37 -14.290 0.637 2.431 286 HE2 LYS 37 HE2 LYS 37 -14.297 0.494 -0.003 287 HE3 LYS 37 HE3 LYS 37 -15.976 -0.045 0.022 288 HZ1 LYS 37 HZ1 LYS 37 -15.794 2.315 -0.471 289 HZ2 LYS 37 HZ2 LYS 37 -14.998 2.587 0.994 290 HZ3 LYS 37 HZ3 LYS 37 -16.608 2.070 0.989 Start of MODEL 7 1 H1 VAL 1 H1 VAL 1 -4.303 -7.186 -4.833 2 H2 VAL 1 H2 VAL 1 -4.095 -6.590 -6.398 3 H3 VAL 1 H3 VAL 1 -5.631 -7.042 -5.866 4 HA VAL 1 HA VAL 1 -5.356 -4.642 -5.896 5 HB VAL 1 HB VAL 1 -6.046 -4.208 -3.540 6 HG11 VAL 1 HG11 VAL 1 -8.106 -5.483 -3.681 7 HG12 VAL 1 HG12 VAL 1 -7.377 -6.571 -4.860 8 HG13 VAL 1 HG13 VAL 1 -7.652 -4.879 -5.273 9 HG21 VAL 1 HG21 VAL 1 -4.576 -5.961 -2.566 10 HG22 VAL 1 HG22 VAL 1 -5.690 -7.177 -3.187 11 HG23 VAL 1 HG23 VAL 1 -6.237 -6.010 -1.983 12 H GLY 2 H GLY 2 -2.617 -5.505 -6.026 13 HA2 GLY 2 HA2 GLY 2 -1.296 -4.152 -3.802 14 HA3 GLY 2 HA3 GLY 2 -0.510 -5.059 -5.087 15 H ILE 3 H ILE 3 0.581 -2.686 -4.411 16 HA ILE 3 HA ILE 3 -0.177 -0.975 -6.676 17 HB ILE 3 HB ILE 3 0.587 0.994 -5.367 18 HG12 ILE 3 HG12 ILE 3 0.546 -0.949 -3.047 19 HG13 ILE 3 HG13 ILE 3 1.976 -0.174 -3.718 20 HG21 ILE 3 HG21 ILE 3 -1.438 1.143 -3.953 21 HG22 ILE 3 HG22 ILE 3 -1.731 -0.570 -4.249 22 HG23 ILE 3 HG23 ILE 3 -1.767 0.576 -5.590 23 HD11 ILE 3 HD11 ILE 3 1.116 2.005 -3.039 24 HD12 ILE 3 HD12 ILE 3 1.271 0.907 -1.666 25 HD13 ILE 3 HD13 ILE 3 -0.316 1.227 -2.366 26 H ASN 4 H ASN 4 1.552 0.333 -7.508 27 HA ASN 4 HA ASN 4 3.924 -1.254 -7.868 28 HB2 ASN 4 HB2 ASN 4 4.525 0.609 -9.485 29 HB3 ASN 4 HB3 ASN 4 3.030 -0.256 -9.834 30 HD21 ASN 4 HD21 ASN 4 4.394 2.725 -8.598 31 HD22 ASN 4 HD22 ASN 4 2.963 3.679 -8.802 32 H VAL 5 H VAL 5 3.974 -0.538 -5.280 33 HA VAL 5 HA VAL 5 6.107 1.489 -5.173 34 HB VAL 5 HB VAL 5 3.983 1.142 -3.051 35 HG11 VAL 5 HG11 VAL 5 4.869 3.317 -2.242 36 HG12 VAL 5 HG12 VAL 5 6.169 3.178 -3.425 37 HG13 VAL 5 HG13 VAL 5 6.023 1.988 -2.131 38 HG21 VAL 5 HG21 VAL 5 2.992 3.203 -3.805 39 HG22 VAL 5 HG22 VAL 5 3.024 2.047 -5.137 40 HG23 VAL 5 HG23 VAL 5 4.201 3.361 -5.078 41 H LYS 6 H LYS 6 7.833 0.956 -3.908 42 HA LYS 6 HA LYS 6 7.891 -1.724 -2.782 43 HB2 LYS 6 HB2 LYS 6 10.024 0.378 -3.163 44 HB3 LYS 6 HB3 LYS 6 10.316 -1.163 -2.365 45 HG2 LYS 6 HG2 LYS 6 9.693 -2.347 -4.397 46 HG3 LYS 6 HG3 LYS 6 9.364 -0.811 -5.199 47 HD2 LYS 6 HD2 LYS 6 11.675 -0.167 -5.023 48 HD3 LYS 6 HD3 LYS 6 12.041 -1.600 -4.059 49 HE2 LYS 6 HE2 LYS 6 11.513 -3.034 -5.935 50 HE3 LYS 6 HE3 LYS 6 11.034 -1.639 -6.900 51 HZ1 LYS 6 HZ1 LYS 6 13.271 -2.417 -7.427 52 HZ2 LYS 6 HZ2 LYS 6 13.763 -2.119 -5.838 53 HZ3 LYS 6 HZ3 LYS 6 13.288 -0.835 -6.831 54 H CYS 7 H CYS 7 7.916 -2.188 -0.656 55 HA CYS 7 HA CYS 7 6.827 -0.222 1.077 56 HB2 CYS 7 HB2 CYS 7 6.144 -2.531 1.328 57 HB3 CYS 7 HB3 CYS 7 7.801 -3.015 1.691 58 H LYS 8 H LYS 8 8.535 1.384 1.079 59 HA LYS 8 HA LYS 8 10.738 0.772 2.866 60 HB2 LYS 8 HB2 LYS 8 9.892 3.385 1.591 61 HB3 LYS 8 HB3 LYS 8 11.374 3.120 2.499 62 HG2 LYS 8 HG2 LYS 8 12.241 1.671 0.828 63 HG3 LYS 8 HG3 LYS 8 10.694 1.622 -0.016 64 HD2 LYS 8 HD2 LYS 8 12.379 4.098 0.341 65 HD3 LYS 8 HD3 LYS 8 12.370 3.091 -1.105 66 HE2 LYS 8 HE2 LYS 8 10.019 4.595 0.042 67 HE3 LYS 8 HE3 LYS 8 10.934 5.034 -1.395 68 HZ1 LYS 8 HZ1 LYS 8 10.204 2.963 -2.433 69 HZ2 LYS 8 HZ2 LYS 8 8.890 3.931 -1.994 70 HZ3 LYS 8 HZ3 LYS 8 9.289 2.581 -1.060 71 H HIS 9 H HIS 9 10.075 0.530 4.916 72 HA HIS 9 HA HIS 9 9.214 0.990 6.971 73 HB2 HIS 9 HB2 HIS 9 8.174 3.668 6.090 74 HB3 HIS 9 HB3 HIS 9 8.796 3.186 7.662 75 HD1 HIS 9 HD1 HIS 9 9.802 4.516 4.370 76 HD2 HIS 9 HD2 HIS 9 11.655 3.216 7.852 77 HE1 HIS 9 HE1 HIS 9 12.202 5.144 4.110 78 HE2 HIS 9 HE2 HIS 9 13.278 4.528 6.314 79 H SER 10 H SER 10 7.447 -0.052 7.601 80 HA SER 10 HA SER 10 5.179 -0.279 5.898 81 HB2 SER 10 HB2 SER 10 4.221 -1.579 7.863 82 HB3 SER 10 HB3 SER 10 5.736 -2.184 7.197 83 HG SER 10 HG SER 10 5.267 -0.827 9.621 84 H GLY 11 H GLY 11 4.691 1.933 5.684 85 HA2 GLY 11 HA2 GLY 11 2.490 2.837 7.143 86 HA3 GLY 11 HA3 GLY 11 3.920 3.656 7.768 87 H GLN 12 H GLN 12 5.185 3.391 5.061 88 HA GLN 12 HA GLN 12 4.327 5.904 4.007 89 HB2 GLN 12 HB2 GLN 12 6.677 5.131 3.920 90 HB3 GLN 12 HB3 GLN 12 6.200 3.847 2.819 91 HG2 GLN 12 HG2 GLN 12 5.408 5.619 1.243 92 HG3 GLN 12 HG3 GLN 12 6.135 6.807 2.320 93 HE21 GLN 12 HE21 GLN 12 7.611 7.524 0.871 94 HE22 GLN 12 HE22 GLN 12 8.952 6.586 0.323 95 H CYS 13 H CYS 13 3.514 2.605 3.411 96 HA CYS 13 HA CYS 13 2.856 2.843 0.657 97 HB2 CYS 13 HB2 CYS 13 1.932 0.767 2.650 98 HB3 CYS 13 HB3 CYS 13 1.874 0.626 0.901 99 H LEU 14 H LEU 14 1.316 3.957 3.410 100 HA LEU 14 HA LEU 14 -1.401 3.467 2.803 101 HB2 LEU 14 HB2 LEU 14 -0.092 5.614 4.459 102 HB3 LEU 14 HB3 LEU 14 -1.821 5.360 4.383 103 HG LEU 14 HG LEU 14 0.230 3.423 5.458 104 HD11 LEU 14 HD11 LEU 14 -1.943 4.998 6.827 105 HD12 LEU 14 HD12 LEU 14 -0.208 5.302 6.935 106 HD13 LEU 14 HD13 LEU 14 -0.887 3.813 7.594 107 HD21 LEU 14 HD21 LEU 14 -1.536 2.177 4.381 108 HD22 LEU 14 HD22 LEU 14 -2.762 3.146 5.198 109 HD23 LEU 14 HD23 LEU 14 -1.727 2.068 6.131 110 H LYS 15 H LYS 15 0.659 6.296 2.251 111 HA LYS 15 HA LYS 15 -1.231 7.997 1.169 112 HB2 LYS 15 HB2 LYS 15 1.718 7.814 0.573 113 HB3 LYS 15 HB3 LYS 15 0.692 9.124 0.015 114 HG2 LYS 15 HG2 LYS 15 0.195 9.723 2.327 115 HG3 LYS 15 HG3 LYS 15 1.218 8.397 2.889 116 HD2 LYS 15 HD2 LYS 15 3.158 9.416 1.853 117 HD3 LYS 15 HD3 LYS 15 2.155 10.702 1.182 118 HE2 LYS 15 HE2 LYS 15 3.331 11.483 3.154 119 HE3 LYS 15 HE3 LYS 15 1.594 11.437 3.450 120 HZ1 LYS 15 HZ1 LYS 15 3.487 9.315 4.292 121 HZ2 LYS 15 HZ2 LYS 15 1.846 9.423 4.685 122 HZ3 LYS 15 HZ3 LYS 15 2.938 10.556 5.300 123 HA PRO 16 HA PRO 16 -0.262 6.598 -3.315 124 HB2 PRO 16 HB2 PRO 16 1.083 4.274 -3.729 125 HB3 PRO 16 HB3 PRO 16 1.882 5.845 -3.609 126 HG2 PRO 16 HG2 PRO 16 1.589 3.704 -1.542 127 HG3 PRO 16 HG3 PRO 16 2.994 4.716 -1.917 128 HD2 PRO 16 HD2 PRO 16 1.347 5.203 0.184 129 HD3 PRO 16 HD3 PRO 16 2.205 6.487 -0.687 130 H CYS 17 H CYS 17 -1.008 4.319 -0.825 131 HA CYS 17 HA CYS 17 -2.483 2.488 -2.454 132 HB2 CYS 17 HB2 CYS 17 -1.455 1.923 -0.238 133 HB3 CYS 17 HB3 CYS 17 -2.683 2.922 0.532 134 H LYS 18 H LYS 18 -3.203 5.407 -0.666 135 HA LYS 18 HA LYS 18 -5.996 5.293 -0.744 136 HB2 LYS 18 HB2 LYS 18 -4.764 6.914 0.613 137 HB3 LYS 18 HB3 LYS 18 -4.160 7.691 -0.847 138 HG2 LYS 18 HG2 LYS 18 -6.511 8.122 -1.499 139 HG3 LYS 18 HG3 LYS 18 -6.990 7.535 0.097 140 HD2 LYS 18 HD2 LYS 18 -5.541 9.280 1.120 141 HD3 LYS 18 HD3 LYS 18 -5.232 9.914 -0.497 142 HE2 LYS 18 HE2 LYS 18 -7.687 10.233 -0.769 143 HE3 LYS 18 HE3 LYS 18 -7.891 9.750 0.913 144 HZ1 LYS 18 HZ1 LYS 18 -6.542 11.626 1.588 145 HZ2 LYS 18 HZ2 LYS 18 -7.848 12.155 0.658 146 HZ3 LYS 18 HZ3 LYS 18 -6.306 12.078 -0.024 147 H LYS 19 H LYS 19 -3.596 6.322 -3.075 148 HA LYS 19 HA LYS 19 -5.485 7.454 -4.927 149 HB2 LYS 19 HB2 LYS 19 -2.547 6.790 -5.113 150 HB3 LYS 19 HB3 LYS 19 -3.455 7.428 -6.473 151 HG2 LYS 19 HG2 LYS 19 -3.133 8.810 -3.817 152 HG3 LYS 19 HG3 LYS 19 -2.183 9.155 -5.264 153 HD2 LYS 19 HD2 LYS 19 -4.361 9.646 -6.437 154 HD3 LYS 19 HD3 LYS 19 -5.144 9.548 -4.860 155 HE2 LYS 19 HE2 LYS 19 -2.919 11.448 -5.596 156 HE3 LYS 19 HE3 LYS 19 -4.629 11.864 -5.506 157 HZ1 LYS 19 HZ1 LYS 19 -2.981 10.900 -3.235 158 HZ2 LYS 19 HZ2 LYS 19 -4.605 11.351 -3.159 159 HZ3 LYS 19 HZ3 LYS 19 -3.424 12.504 -3.511 160 H ALA 20 H ALA 20 -4.998 4.465 -3.954 161 HA ALA 20 HA ALA 20 -5.288 3.197 -6.595 162 HB1 ALA 20 HB1 ALA 20 -4.453 2.088 -3.920 163 HB2 ALA 20 HB2 ALA 20 -3.454 2.282 -5.366 164 HB3 ALA 20 HB3 ALA 20 -4.756 1.092 -5.347 165 H GLY 21 H GLY 21 -7.021 4.296 -3.994 166 HA2 GLY 21 HA2 GLY 21 -9.252 4.118 -3.472 167 HA3 GLY 21 HA3 GLY 21 -9.437 3.024 -4.833 168 H MET 22 H MET 22 -7.043 2.313 -2.433 169 HA MET 22 HA MET 22 -8.637 -0.024 -1.673 170 HB2 MET 22 HB2 MET 22 -5.712 0.491 -1.125 171 HB3 MET 22 HB3 MET 22 -6.578 -1.016 -0.907 172 HG2 MET 22 HG2 MET 22 -6.040 0.343 -3.528 173 HG3 MET 22 HG3 MET 22 -5.214 -1.075 -2.888 174 HE1 MET 22 HE1 MET 22 -5.717 -2.278 -5.231 175 HE2 MET 22 HE2 MET 22 -6.591 -0.850 -5.786 176 HE3 MET 22 HE3 MET 22 -7.337 -2.443 -5.905 177 H ARG 23 H ARG 23 -7.773 -0.741 0.735 178 HA ARG 23 HA ARG 23 -8.879 1.418 2.355 179 HB2 ARG 23 HB2 ARG 23 -9.708 -0.989 2.459 180 HB3 ARG 23 HB3 ARG 23 -8.216 -1.360 3.309 181 HG2 ARG 23 HG2 ARG 23 -8.889 -0.370 5.210 182 HG3 ARG 23 HG3 ARG 23 -9.759 0.909 4.364 183 HD2 ARG 23 HD2 ARG 23 -11.227 -0.633 5.648 184 HD3 ARG 23 HD3 ARG 23 -11.611 -0.544 3.933 185 HE ARG 23 HE ARG 23 -10.455 -2.698 3.689 186 HH11 ARG 23 HH11 ARG 23 -11.495 -1.738 6.896 187 HH12 ARG 23 HH12 ARG 23 -11.608 -3.367 7.478 188 HH21 ARG 23 HH21 ARG 23 -10.615 -4.829 4.459 189 HH22 ARG 23 HH22 ARG 23 -11.104 -5.122 6.098 190 H PHE 24 H PHE 24 -6.333 -0.959 3.159 191 HA PHE 24 HA PHE 24 -4.621 1.306 3.943 192 HB2 PHE 24 HB2 PHE 24 -3.971 -1.163 5.339 193 HB3 PHE 24 HB3 PHE 24 -4.211 0.454 5.986 194 HD1 PHE 24 HD1 PHE 24 -5.805 -2.695 5.105 195 HD2 PHE 24 HD2 PHE 24 -6.301 1.069 6.997 196 HE1 PHE 24 HE1 PHE 24 -7.894 -3.484 6.085 197 HE2 PHE 24 HE2 PHE 24 -8.398 0.284 8.021 198 HZ PHE 24 HZ PHE 24 -9.201 -2.003 7.569 199 H GLY 25 H GLY 25 -2.277 0.419 4.202 200 HA2 GLY 25 HA2 GLY 25 -1.688 -1.391 1.957 201 HA3 GLY 25 HA3 GLY 25 -0.801 0.109 2.187 202 H LYS 26 H LYS 26 -0.981 -3.172 2.961 203 HA LYS 26 HA LYS 26 0.624 -2.956 5.378 204 HB2 LYS 26 HB2 LYS 26 0.317 -5.342 5.583 205 HB3 LYS 26 HB3 LYS 26 -1.237 -4.609 5.214 206 HG2 LYS 26 HG2 LYS 26 -0.834 -5.213 2.809 207 HG3 LYS 26 HG3 LYS 26 0.559 -6.145 3.360 208 HD2 LYS 26 HD2 LYS 26 -2.302 -6.563 4.215 209 HD3 LYS 26 HD3 LYS 26 -1.408 -7.561 3.069 210 HE2 LYS 26 HE2 LYS 26 0.179 -8.158 4.832 211 HE3 LYS 26 HE3 LYS 26 -0.719 -7.162 5.977 212 HZ1 LYS 26 HZ1 LYS 26 -2.654 -8.591 5.603 213 HZ2 LYS 26 HZ2 LYS 26 -1.338 -9.456 6.215 214 HZ3 LYS 26 HZ3 LYS 26 -1.733 -9.574 4.576 215 H CYS 27 H CYS 27 2.684 -3.983 5.569 216 HA CYS 27 HA CYS 27 4.277 -3.612 3.211 217 HB2 CYS 27 HB2 CYS 27 4.940 -3.010 5.599 218 HB3 CYS 27 HB3 CYS 27 5.228 -4.731 5.837 219 H ILE 28 H ILE 28 4.541 -5.112 1.722 220 HA ILE 28 HA ILE 28 4.646 -7.919 2.538 221 HB ILE 28 HB ILE 28 3.482 -6.565 0.245 222 HG12 ILE 28 HG12 ILE 28 2.194 -8.579 0.057 223 HG13 ILE 28 HG13 ILE 28 3.374 -9.488 0.991 224 HG21 ILE 28 HG21 ILE 28 5.531 -8.669 -0.295 225 HG22 ILE 28 HG22 ILE 28 5.311 -7.108 -1.092 226 HG23 ILE 28 HG23 ILE 28 4.160 -8.416 -1.380 227 HD11 ILE 28 HD11 ILE 28 1.955 -7.165 2.194 228 HD12 ILE 28 HD12 ILE 28 2.703 -8.547 2.990 229 HD13 ILE 28 HD13 ILE 28 1.186 -8.747 2.111 230 H ASN 29 H ASN 29 6.295 -9.187 1.272 231 HA ASN 29 HA ASN 29 8.840 -8.241 1.906 232 HB2 ASN 29 HB2 ASN 29 8.201 -10.403 -0.108 233 HB3 ASN 29 HB3 ASN 29 9.704 -10.208 0.793 234 HD21 ASN 29 HD21 ASN 29 8.219 -9.414 3.219 235 HD22 ASN 29 HD22 ASN 29 7.548 -10.871 3.849 236 H GLY 30 H GLY 30 8.990 -6.167 0.993 237 HA2 GLY 30 HA2 GLY 30 10.410 -5.023 -0.524 238 HA3 GLY 30 HA3 GLY 30 10.054 -6.243 -1.735 239 H LYS 31 H LYS 31 7.077 -5.898 -0.834 240 HA LYS 31 HA LYS 31 6.678 -3.603 -2.647 241 HB2 LYS 31 HB2 LYS 31 6.366 -6.053 -3.555 242 HB3 LYS 31 HB3 LYS 31 4.833 -5.961 -2.701 243 HG2 LYS 31 HG2 LYS 31 4.445 -5.371 -4.970 244 HG3 LYS 31 HG3 LYS 31 4.311 -3.899 -4.004 245 HD2 LYS 31 HD2 LYS 31 6.587 -3.273 -4.634 246 HD3 LYS 31 HD3 LYS 31 6.742 -4.756 -5.577 247 HE2 LYS 31 HE2 LYS 31 4.749 -2.548 -6.087 248 HE3 LYS 31 HE3 LYS 31 6.247 -2.797 -6.980 249 HZ1 LYS 31 HZ1 LYS 31 3.931 -4.655 -6.874 250 HZ2 LYS 31 HZ2 LYS 31 5.393 -4.988 -7.652 251 HZ3 LYS 31 HZ3 LYS 31 4.417 -3.724 -8.197 252 H CYS 32 H CYS 32 4.812 -2.361 -2.329 253 HA CYS 32 HA CYS 32 3.531 -2.624 0.259 254 HB2 CYS 32 HB2 CYS 32 3.132 -0.625 -1.982 255 HB3 CYS 32 HB3 CYS 32 2.292 -0.574 -0.440 256 H ASP 33 H ASP 33 1.907 -3.985 0.511 257 HA ASP 33 HA ASP 33 0.168 -4.556 -1.805 258 HB2 ASP 33 HB2 ASP 33 1.435 -6.496 -0.843 259 HB3 ASP 33 HB3 ASP 33 0.564 -6.249 0.665 260 H CYS 34 H CYS 34 -1.869 -3.865 -1.688 261 HA CYS 34 HA CYS 34 -2.656 -2.518 0.757 262 HB2 CYS 34 HB2 CYS 34 -3.779 -2.494 -2.028 263 HB3 CYS 34 HB3 CYS 34 -4.573 -1.702 -0.678 264 H THR 35 H THR 35 -4.635 -2.761 1.764 265 HA THR 35 HA THR 35 -5.906 -5.383 1.427 266 HB THR 35 HB THR 35 -6.371 -3.267 3.526 267 HG1 THR 35 HG1 THR 35 -4.390 -5.161 3.233 268 HG21 THR 35 HG21 THR 35 -8.230 -4.832 3.269 269 HG22 THR 35 HG22 THR 35 -7.398 -5.075 4.810 270 HG23 THR 35 HG23 THR 35 -7.118 -6.190 3.474 271 HA PRO 36 HA PRO 36 -9.135 -3.240 -0.811 272 HB2 PRO 36 HB2 PRO 36 -10.802 -5.598 -0.457 273 HB3 PRO 36 HB3 PRO 36 -10.099 -4.942 -1.932 274 HG2 PRO 36 HG2 PRO 36 -9.289 -7.278 -0.776 275 HG3 PRO 36 HG3 PRO 36 -8.253 -6.269 -1.794 276 HD2 PRO 36 HD2 PRO 36 -8.317 -6.535 1.175 277 HD3 PRO 36 HD3 PRO 36 -6.938 -6.273 0.090 278 H LYS 37 H LYS 37 -11.121 -2.300 -0.343 279 HA LYS 37 HA LYS 37 -11.725 -1.941 2.409 280 HB2 LYS 37 HB2 LYS 37 -13.258 -1.097 -0.058 281 HB3 LYS 37 HB3 LYS 37 -13.628 -0.576 1.579 282 HG2 LYS 37 HG2 LYS 37 -11.396 0.463 1.722 283 HG3 LYS 37 HG3 LYS 37 -11.102 0.000 0.046 284 HD2 LYS 37 HD2 LYS 37 -12.991 1.356 -0.677 285 HD3 LYS 37 HD3 LYS 37 -13.340 1.787 0.997 286 HE2 LYS 37 HE2 LYS 37 -11.132 2.858 1.162 287 HE3 LYS 37 HE3 LYS 37 -10.827 2.463 -0.528 288 HZ1 LYS 37 HZ1 LYS 37 -13.045 4.181 0.439 289 HZ2 LYS 37 HZ2 LYS 37 -12.664 3.857 -1.176 290 HZ3 LYS 37 HZ3 LYS 37 -11.596 4.749 -0.218 Start of MODEL 8 1 H1 VAL 1 H1 VAL 1 -2.853 -6.593 -2.802 2 H2 VAL 1 H2 VAL 1 -2.956 -7.926 -3.840 3 H3 VAL 1 H3 VAL 1 -4.360 -7.281 -3.154 4 HA VAL 1 HA VAL 1 -4.136 -6.667 -5.470 5 HB VAL 1 HB VAL 1 -4.587 -4.341 -5.283 6 HG11 VAL 1 HG11 VAL 1 -6.322 -5.679 -4.333 7 HG12 VAL 1 HG12 VAL 1 -6.122 -4.249 -3.322 8 HG13 VAL 1 HG13 VAL 1 -5.462 -5.797 -2.799 9 HG21 VAL 1 HG21 VAL 1 -2.554 -3.748 -4.013 10 HG22 VAL 1 HG22 VAL 1 -3.331 -4.346 -2.546 11 HG23 VAL 1 HG23 VAL 1 -4.012 -2.964 -3.409 12 H GLY 2 H GLY 2 -1.348 -5.859 -3.475 13 HA2 GLY 2 HA2 GLY 2 0.802 -5.270 -4.015 14 HA3 GLY 2 HA3 GLY 2 0.539 -6.231 -5.458 15 H ILE 3 H ILE 3 0.644 -2.998 -4.131 16 HA ILE 3 HA ILE 3 -0.013 -1.799 -6.689 17 HB ILE 3 HB ILE 3 0.340 0.362 -5.572 18 HG12 ILE 3 HG12 ILE 3 0.970 -1.298 -3.119 19 HG13 ILE 3 HG13 ILE 3 2.128 -0.326 -4.021 20 HG21 ILE 3 HG21 ILE 3 -1.525 0.207 -3.967 21 HG22 ILE 3 HG22 ILE 3 -1.414 -1.552 -4.039 22 HG23 ILE 3 HG23 ILE 3 -1.860 -0.637 -5.479 23 HD11 ILE 3 HD11 ILE 3 1.041 1.694 -3.365 24 HD12 ILE 3 HD12 ILE 3 1.314 0.718 -1.922 25 HD13 ILE 3 HD13 ILE 3 -0.294 0.800 -2.640 26 H ASN 4 H ASN 4 1.569 0.124 -7.222 27 HA ASN 4 HA ASN 4 4.046 -1.216 -7.928 28 HB2 ASN 4 HB2 ASN 4 4.362 0.611 -9.514 29 HB3 ASN 4 HB3 ASN 4 2.735 -0.042 -9.664 30 HD21 ASN 4 HD21 ASN 4 3.751 2.545 -10.463 31 HD22 ASN 4 HD22 ASN 4 2.800 3.722 -9.626 32 H VAL 5 H VAL 5 4.044 -0.714 -5.271 33 HA VAL 5 HA VAL 5 5.957 1.497 -4.982 34 HB VAL 5 HB VAL 5 3.675 0.888 -3.093 35 HG11 VAL 5 HG11 VAL 5 4.426 2.829 -1.810 36 HG12 VAL 5 HG12 VAL 5 5.830 2.988 -2.870 37 HG13 VAL 5 HG13 VAL 5 5.657 1.565 -1.842 38 HG21 VAL 5 HG21 VAL 5 3.170 3.323 -3.656 39 HG22 VAL 5 HG22 VAL 5 2.746 2.092 -4.839 40 HG23 VAL 5 HG23 VAL 5 4.197 3.073 -5.061 41 H LYS 6 H LYS 6 7.458 1.252 -3.324 42 HA LYS 6 HA LYS 6 7.989 -1.564 -2.668 43 HB2 LYS 6 HB2 LYS 6 9.817 0.846 -2.697 44 HB3 LYS 6 HB3 LYS 6 10.311 -0.767 -2.207 45 HG2 LYS 6 HG2 LYS 6 9.847 -1.607 -4.442 46 HG3 LYS 6 HG3 LYS 6 9.300 -0.004 -4.940 47 HD2 LYS 6 HD2 LYS 6 11.527 0.899 -4.480 48 HD3 LYS 6 HD3 LYS 6 12.073 -0.697 -3.971 49 HE2 LYS 6 HE2 LYS 6 11.038 -0.032 -6.723 50 HE3 LYS 6 HE3 LYS 6 12.743 -0.110 -6.285 51 HZ1 LYS 6 HZ1 LYS 6 12.423 -2.440 -5.678 52 HZ2 LYS 6 HZ2 LYS 6 12.034 -2.161 -7.299 53 HZ3 LYS 6 HZ3 LYS 6 10.804 -2.355 -6.162 54 H CYS 7 H CYS 7 8.191 -2.255 -0.590 55 HA CYS 7 HA CYS 7 7.043 -0.668 1.469 56 HB2 CYS 7 HB2 CYS 7 6.670 -2.977 1.700 57 HB3 CYS 7 HB3 CYS 7 8.367 -3.369 1.438 58 H LYS 8 H LYS 8 8.483 1.206 1.438 59 HA LYS 8 HA LYS 8 10.982 0.779 2.864 60 HB2 LYS 8 HB2 LYS 8 9.610 3.300 1.910 61 HB3 LYS 8 HB3 LYS 8 11.135 3.283 2.782 62 HG2 LYS 8 HG2 LYS 8 12.129 1.941 0.972 63 HG3 LYS 8 HG3 LYS 8 10.606 2.042 0.089 64 HD2 LYS 8 HD2 LYS 8 12.207 4.446 0.953 65 HD3 LYS 8 HD3 LYS 8 12.360 3.683 -0.630 66 HE2 LYS 8 HE2 LYS 8 10.026 4.143 -1.105 67 HE3 LYS 8 HE3 LYS 8 9.811 4.827 0.504 68 HZ1 LYS 8 HZ1 LYS 8 11.577 5.910 -1.622 69 HZ2 LYS 8 HZ2 LYS 8 11.407 6.558 -0.070 70 HZ3 LYS 8 HZ3 LYS 8 10.093 6.561 -1.133 71 H HIS 9 H HIS 9 7.757 2.088 3.318 72 HA HIS 9 HA HIS 9 7.907 1.622 6.189 73 HB2 HIS 9 HB2 HIS 9 6.951 4.302 5.140 74 HB3 HIS 9 HB3 HIS 9 7.171 3.830 6.818 75 HD1 HIS 9 HD1 HIS 9 9.073 4.909 3.779 76 HD2 HIS 9 HD2 HIS 9 9.773 4.102 7.793 77 HE1 HIS 9 HE1 HIS 9 11.436 5.616 4.201 78 HE2 HIS 9 HE2 HIS 9 11.883 5.013 6.605 79 H SER 10 H SER 10 5.943 0.891 6.920 80 HA SER 10 HA SER 10 4.021 0.137 4.985 81 HB2 SER 10 HB2 SER 10 2.706 -0.659 6.960 82 HB3 SER 10 HB3 SER 10 4.363 -1.255 6.922 83 HG SER 10 HG SER 10 4.684 -0.313 8.764 84 H GLY 11 H GLY 11 4.139 2.733 7.371 85 HA2 GLY 11 HA2 GLY 11 1.489 3.676 6.898 86 HA3 GLY 11 HA3 GLY 11 2.792 4.587 7.649 87 H GLN 12 H GLN 12 4.421 3.911 5.178 88 HA GLN 12 HA GLN 12 3.709 6.252 3.651 89 HB2 GLN 12 HB2 GLN 12 6.033 5.880 4.046 90 HB3 GLN 12 HB3 GLN 12 5.941 4.235 3.447 91 HG2 GLN 12 HG2 GLN 12 5.516 5.081 1.200 92 HG3 GLN 12 HG3 GLN 12 5.609 6.732 1.814 93 HE21 GLN 12 HE21 GLN 12 7.570 7.628 2.254 94 HE22 GLN 12 HE22 GLN 12 9.073 6.872 1.850 95 H CYS 13 H CYS 13 3.241 2.853 3.508 96 HA CYS 13 HA CYS 13 2.807 2.607 0.705 97 HB2 CYS 13 HB2 CYS 13 1.818 0.894 3.000 98 HB3 CYS 13 HB3 CYS 13 1.730 0.450 1.303 99 H LEU 14 H LEU 14 1.047 3.882 3.294 100 HA LEU 14 HA LEU 14 -1.604 3.525 2.290 101 HB2 LEU 14 HB2 LEU 14 -0.457 4.268 4.672 102 HB3 LEU 14 HB3 LEU 14 -1.115 5.782 4.087 103 HG LEU 14 HG LEU 14 -3.339 4.807 3.952 104 HD11 LEU 14 HD11 LEU 14 -1.855 2.308 4.655 105 HD12 LEU 14 HD12 LEU 14 -3.083 2.575 3.414 106 HD13 LEU 14 HD13 LEU 14 -3.549 2.500 5.112 107 HD21 LEU 14 HD21 LEU 14 -2.018 4.261 6.607 108 HD22 LEU 14 HD22 LEU 14 -3.743 4.507 6.331 109 HD23 LEU 14 HD23 LEU 14 -2.608 5.827 6.057 110 H LYS 15 H LYS 15 0.875 5.973 2.083 111 HA LYS 15 HA LYS 15 -0.638 8.175 1.358 112 HB2 LYS 15 HB2 LYS 15 2.146 7.640 0.330 113 HB3 LYS 15 HB3 LYS 15 1.383 9.195 0.586 114 HG2 LYS 15 HG2 LYS 15 2.091 7.235 2.755 115 HG3 LYS 15 HG3 LYS 15 3.045 8.647 2.305 116 HD2 LYS 15 HD2 LYS 15 0.188 8.768 3.262 117 HD3 LYS 15 HD3 LYS 15 1.592 8.969 4.311 118 HE2 LYS 15 HE2 LYS 15 2.311 10.885 2.941 119 HE3 LYS 15 HE3 LYS 15 0.868 10.697 1.946 120 HZ1 LYS 15 HZ1 LYS 15 -0.491 11.148 3.874 121 HZ2 LYS 15 HZ2 LYS 15 0.600 12.414 3.633 122 HZ3 LYS 15 HZ3 LYS 15 0.878 11.281 4.855 123 HA PRO 16 HA PRO 16 -0.391 7.063 -3.263 124 HB2 PRO 16 HB2 PRO 16 0.638 4.684 -4.062 125 HB3 PRO 16 HB3 PRO 16 1.619 6.141 -3.877 126 HG2 PRO 16 HG2 PRO 16 1.407 3.762 -2.114 127 HG3 PRO 16 HG3 PRO 16 2.791 4.819 -2.424 128 HD2 PRO 16 HD2 PRO 16 1.156 4.911 -0.177 129 HD3 PRO 16 HD3 PRO 16 2.252 6.190 -0.720 130 H CYS 17 H CYS 17 -1.120 4.706 -0.874 131 HA CYS 17 HA CYS 17 -2.689 2.918 -2.390 132 HB2 CYS 17 HB2 CYS 17 -1.685 2.547 -0.085 133 HB3 CYS 17 HB3 CYS 17 -3.021 3.497 0.551 134 H LYS 18 H LYS 18 -3.372 6.016 -0.939 135 HA LYS 18 HA LYS 18 -6.168 5.913 -0.916 136 HB2 LYS 18 HB2 LYS 18 -6.149 8.296 -0.856 137 HB3 LYS 18 HB3 LYS 18 -4.755 7.748 0.056 138 HG2 LYS 18 HG2 LYS 18 -3.256 8.399 -1.628 139 HG3 LYS 18 HG3 LYS 18 -4.543 8.557 -2.824 140 HD2 LYS 18 HD2 LYS 18 -3.860 10.756 -2.140 141 HD3 LYS 18 HD3 LYS 18 -5.470 10.443 -1.494 142 HE2 LYS 18 HE2 LYS 18 -4.146 11.503 0.206 143 HE3 LYS 18 HE3 LYS 18 -4.428 9.827 0.668 144 HZ1 LYS 18 HZ1 LYS 18 -2.208 9.287 -0.178 145 HZ2 LYS 18 HZ2 LYS 18 -2.153 10.424 1.072 146 HZ3 LYS 18 HZ3 LYS 18 -1.944 10.923 -0.529 147 H LYS 19 H LYS 19 -3.918 6.273 -3.567 148 HA LYS 19 HA LYS 19 -6.038 7.096 -5.399 149 HB2 LYS 19 HB2 LYS 19 -3.084 6.653 -5.873 150 HB3 LYS 19 HB3 LYS 19 -4.224 7.182 -7.103 151 HG2 LYS 19 HG2 LYS 19 -4.728 9.131 -5.510 152 HG3 LYS 19 HG3 LYS 19 -3.235 8.664 -4.697 153 HD2 LYS 19 HD2 LYS 19 -3.508 9.402 -7.611 154 HD3 LYS 19 HD3 LYS 19 -2.844 10.432 -6.343 155 HE2 LYS 19 HE2 LYS 19 -1.715 7.755 -7.148 156 HE3 LYS 19 HE3 LYS 19 -1.117 9.308 -7.727 157 HZ1 LYS 19 HZ1 LYS 19 -0.491 9.909 -5.520 158 HZ2 LYS 19 HZ2 LYS 19 0.157 8.379 -5.842 159 HZ3 LYS 19 HZ3 LYS 19 -1.215 8.532 -4.867 160 H ALA 20 H ALA 20 -4.550 4.315 -4.236 161 HA ALA 20 HA ALA 20 -5.205 2.632 -6.482 162 HB1 ALA 20 HB1 ALA 20 -4.423 1.950 -3.643 163 HB2 ALA 20 HB2 ALA 20 -3.350 2.010 -5.043 164 HB3 ALA 20 HB3 ALA 20 -4.613 0.783 -4.953 165 H GLY 21 H GLY 21 -6.816 4.081 -3.906 166 HA2 GLY 21 HA2 GLY 21 -9.039 4.089 -3.336 167 HA3 GLY 21 HA3 GLY 21 -9.329 2.973 -4.664 168 H MET 22 H MET 22 -7.066 2.358 -2.058 169 HA MET 22 HA MET 22 -8.731 0.034 -1.374 170 HB2 MET 22 HB2 MET 22 -5.756 0.409 -1.041 171 HB3 MET 22 HB3 MET 22 -6.656 -1.034 -0.607 172 HG2 MET 22 HG2 MET 22 -6.299 0.090 -3.371 173 HG3 MET 22 HG3 MET 22 -5.540 -1.355 -2.708 174 HE1 MET 22 HE1 MET 22 -6.393 -2.604 -4.945 175 HE2 MET 22 HE2 MET 22 -7.236 -1.152 -5.487 176 HE3 MET 22 HE3 MET 22 -8.090 -2.693 -5.416 177 H ARG 23 H ARG 23 -7.886 -0.791 0.976 178 HA ARG 23 HA ARG 23 -8.833 1.359 2.700 179 HB2 ARG 23 HB2 ARG 23 -9.813 -0.963 2.739 180 HB3 ARG 23 HB3 ARG 23 -8.307 -1.516 3.446 181 HG2 ARG 23 HG2 ARG 23 -8.732 -0.547 5.461 182 HG3 ARG 23 HG3 ARG 23 -9.733 0.726 4.764 183 HD2 ARG 23 HD2 ARG 23 -11.025 -0.922 6.083 184 HD3 ARG 23 HD3 ARG 23 -11.542 -0.820 4.404 185 HE ARG 23 HE ARG 23 -9.637 -2.912 5.093 186 HH11 ARG 23 HH11 ARG 23 -12.942 -2.008 4.423 187 HH12 ARG 23 HH12 ARG 23 -13.461 -3.632 4.123 188 HH21 ARG 23 HH21 ARG 23 -10.321 -5.061 4.721 189 HH22 ARG 23 HH22 ARG 23 -11.970 -5.371 4.288 190 H PHE 24 H PHE 24 -6.446 -1.183 3.486 191 HA PHE 24 HA PHE 24 -4.707 0.951 4.529 192 HB2 PHE 24 HB2 PHE 24 -4.087 -1.770 5.440 193 HB3 PHE 24 HB3 PHE 24 -4.202 -0.279 6.365 194 HD1 PHE 24 HD1 PHE 24 -5.981 -3.160 5.080 195 HD2 PHE 24 HD2 PHE 24 -6.255 0.310 7.500 196 HE1 PHE 24 HE1 PHE 24 -8.090 -3.988 5.985 197 HE2 PHE 24 HE2 PHE 24 -8.372 -0.518 8.447 198 HZ PHE 24 HZ PHE 24 -9.292 -2.677 7.697 199 H GLY 25 H GLY 25 -2.357 0.083 4.640 200 HA2 GLY 25 HA2 GLY 25 -1.687 -1.399 2.200 201 HA3 GLY 25 HA3 GLY 25 -0.945 0.164 2.509 202 H LYS 26 H LYS 26 -0.880 -3.179 3.158 203 HA LYS 26 HA LYS 26 0.932 -2.906 5.422 204 HB2 LYS 26 HB2 LYS 26 0.852 -5.373 5.504 205 HB3 LYS 26 HB3 LYS 26 -0.746 -4.654 5.585 206 HG2 LYS 26 HG2 LYS 26 -1.252 -5.288 3.372 207 HG3 LYS 26 HG3 LYS 26 0.433 -5.679 3.025 208 HD2 LYS 26 HD2 LYS 26 -0.894 -7.703 3.339 209 HD3 LYS 26 HD3 LYS 26 0.334 -7.545 4.594 210 HE2 LYS 26 HE2 LYS 26 -1.697 -8.268 5.622 211 HE3 LYS 26 HE3 LYS 26 -1.415 -6.597 6.093 212 HZ1 LYS 26 HZ1 LYS 26 -3.056 -5.858 4.559 213 HZ2 LYS 26 HZ2 LYS 26 -3.744 -7.113 5.460 214 HZ3 LYS 26 HZ3 LYS 26 -3.220 -7.400 3.881 215 H CYS 27 H CYS 27 2.942 -4.172 5.398 216 HA CYS 27 HA CYS 27 4.357 -3.685 2.920 217 HB2 CYS 27 HB2 CYS 27 5.105 -4.112 5.742 218 HB3 CYS 27 HB3 CYS 27 6.242 -4.729 4.546 219 H ILE 28 H ILE 28 4.676 -5.137 1.451 220 HA ILE 28 HA ILE 28 4.447 -7.978 2.148 221 HB ILE 28 HB ILE 28 3.106 -6.481 0.207 222 HG12 ILE 28 HG12 ILE 28 2.195 -8.662 -0.498 223 HG13 ILE 28 HG13 ILE 28 3.447 -9.474 0.438 224 HG21 ILE 28 HG21 ILE 28 5.071 -8.296 -1.168 225 HG22 ILE 28 HG22 ILE 28 5.089 -6.534 -1.215 226 HG23 ILE 28 HG23 ILE 28 3.740 -7.421 -1.930 227 HD11 ILE 28 HD11 ILE 28 2.515 -8.260 2.454 228 HD12 ILE 28 HD12 ILE 28 1.499 -9.515 1.752 229 HD13 ILE 28 HD13 ILE 28 1.150 -7.818 1.432 230 H ASN 29 H ASN 29 5.826 -9.333 0.463 231 HA ASN 29 HA ASN 29 8.502 -8.848 1.085 232 HB2 ASN 29 HB2 ASN 29 7.382 -10.577 -1.128 233 HB3 ASN 29 HB3 ASN 29 9.030 -10.647 -0.518 234 HD21 ASN 29 HD21 ASN 29 5.729 -11.457 0.050 235 HD22 ASN 29 HD22 ASN 29 5.994 -12.438 1.449 236 H GLY 30 H GLY 30 8.974 -6.728 0.498 237 HA2 GLY 30 HA2 GLY 30 10.430 -5.529 -0.921 238 HA3 GLY 30 HA3 GLY 30 9.869 -6.493 -2.276 239 H LYS 31 H LYS 31 7.009 -5.945 -1.173 240 HA LYS 31 HA LYS 31 6.809 -3.364 -2.609 241 HB2 LYS 31 HB2 LYS 31 4.980 -5.754 -2.901 242 HB3 LYS 31 HB3 LYS 31 4.732 -4.193 -3.658 243 HG2 LYS 31 HG2 LYS 31 7.105 -5.967 -4.163 244 HG3 LYS 31 HG3 LYS 31 5.656 -5.920 -5.166 245 HD2 LYS 31 HD2 LYS 31 6.084 -3.453 -5.467 246 HD3 LYS 31 HD3 LYS 31 7.648 -3.713 -4.692 247 HE2 LYS 31 HE2 LYS 31 6.674 -5.097 -7.187 248 HE3 LYS 31 HE3 LYS 31 7.810 -3.753 -7.142 249 HZ1 LYS 31 HZ1 LYS 31 8.972 -5.837 -7.360 250 HZ2 LYS 31 HZ2 LYS 31 8.238 -6.444 -5.966 251 HZ3 LYS 31 HZ3 LYS 31 9.323 -5.156 -5.854 252 H CYS 32 H CYS 32 4.665 -2.297 -2.295 253 HA CYS 32 HA CYS 32 3.617 -2.746 0.403 254 HB2 CYS 32 HB2 CYS 32 3.140 -0.509 -1.593 255 HB3 CYS 32 HB3 CYS 32 2.311 -0.647 -0.050 256 H ASP 33 H ASP 33 1.899 -4.048 0.609 257 HA ASP 33 HA ASP 33 0.097 -4.265 -1.708 258 HB2 ASP 33 HB2 ASP 33 1.003 -6.418 -1.137 259 HB3 ASP 33 HB3 ASP 33 0.540 -6.216 0.554 260 H CYS 34 H CYS 34 -1.828 -3.422 -1.562 261 HA CYS 34 HA CYS 34 -2.712 -2.409 1.015 262 HB2 CYS 34 HB2 CYS 34 -3.658 -1.910 -1.793 263 HB3 CYS 34 HB3 CYS 34 -4.504 -1.299 -0.383 264 H THR 35 H THR 35 -4.742 -2.791 1.859 265 HA THR 35 HA THR 35 -5.948 -5.331 1.050 266 HB THR 35 HB THR 35 -6.423 -3.605 3.472 267 HG1 THR 35 HG1 THR 35 -4.595 -5.602 2.867 268 HG21 THR 35 HG21 THR 35 -8.371 -4.947 2.969 269 HG22 THR 35 HG22 THR 35 -7.551 -5.594 4.392 270 HG23 THR 35 HG23 THR 35 -7.368 -6.394 2.832 271 HA PRO 36 HA PRO 36 -8.956 -2.730 -0.966 272 HB2 PRO 36 HB2 PRO 36 -10.374 -4.657 -2.133 273 HB3 PRO 36 HB3 PRO 36 -8.748 -4.259 -2.674 274 HG2 PRO 36 HG2 PRO 36 -9.630 -6.484 -0.878 275 HG3 PRO 36 HG3 PRO 36 -8.530 -6.541 -2.270 276 HD2 PRO 36 HD2 PRO 36 -7.651 -6.393 0.278 277 HD3 PRO 36 HD3 PRO 36 -6.767 -5.671 -1.076 278 H LYS 37 H LYS 37 -10.958 -2.018 -0.531 279 HA LYS 37 HA LYS 37 -12.136 -2.638 1.962 280 HB2 LYS 37 HB2 LYS 37 -13.238 -1.036 -0.356 281 HB3 LYS 37 HB3 LYS 37 -13.860 -1.015 1.288 282 HG2 LYS 37 HG2 LYS 37 -11.922 0.054 2.112 283 HG3 LYS 37 HG3 LYS 37 -11.035 -0.243 0.619 284 HD2 LYS 37 HD2 LYS 37 -11.720 2.076 0.724 285 HD3 LYS 37 HD3 LYS 37 -12.584 1.254 -0.575 286 HE2 LYS 37 HE2 LYS 37 -14.123 2.666 0.603 287 HE3 LYS 37 HE3 LYS 37 -14.518 0.986 0.953 288 HZ1 LYS 37 HZ1 LYS 37 -14.612 2.278 2.954 289 HZ2 LYS 37 HZ2 LYS 37 -13.037 2.851 2.723 290 HZ3 LYS 37 HZ3 LYS 37 -13.302 1.216 3.056 Start of MODEL 9 1 H1 VAL 1 H1 VAL 1 -4.311 -7.376 -4.883 2 H2 VAL 1 H2 VAL 1 -4.123 -6.714 -6.430 3 H3 VAL 1 H3 VAL 1 -5.651 -7.197 -5.898 4 HA VAL 1 HA VAL 1 -5.356 -4.792 -5.850 5 HB VAL 1 HB VAL 1 -6.123 -4.425 -3.531 6 HG11 VAL 1 HG11 VAL 1 -8.158 -5.681 -3.748 7 HG12 VAL 1 HG12 VAL 1 -7.383 -6.845 -4.816 8 HG13 VAL 1 HG13 VAL 1 -7.634 -5.184 -5.354 9 HG21 VAL 1 HG21 VAL 1 -4.628 -6.133 -2.522 10 HG22 VAL 1 HG22 VAL 1 -5.686 -7.383 -3.174 11 HG23 VAL 1 HG23 VAL 1 -6.302 -6.239 -1.982 12 H GLY 2 H GLY 2 -2.602 -6.245 -5.366 13 HA2 GLY 2 HA2 GLY 2 -1.387 -4.416 -3.474 14 HA3 GLY 2 HA3 GLY 2 -0.566 -5.673 -4.391 15 H ILE 3 H ILE 3 0.396 -3.019 -4.063 16 HA ILE 3 HA ILE 3 0.004 -1.906 -6.758 17 HB ILE 3 HB ILE 3 0.731 0.278 -5.733 18 HG12 ILE 3 HG12 ILE 3 0.254 -1.260 -3.172 19 HG13 ILE 3 HG13 ILE 3 1.785 -0.582 -3.714 20 HG21 ILE 3 HG21 ILE 3 -1.483 0.717 -4.692 21 HG22 ILE 3 HG22 ILE 3 -1.820 -1.012 -4.780 22 HG23 ILE 3 HG23 ILE 3 -1.578 -0.084 -6.261 23 HD11 ILE 3 HD11 ILE 3 0.954 1.646 -3.445 24 HD12 ILE 3 HD12 ILE 3 0.672 0.743 -1.957 25 HD13 ILE 3 HD13 ILE 3 -0.659 1.044 -3.074 26 H ASN 4 H ASN 4 1.883 -0.683 -7.574 27 HA ASN 4 HA ASN 4 4.192 -2.408 -7.406 28 HB2 ASN 4 HB2 ASN 4 4.979 -1.376 -9.374 29 HB3 ASN 4 HB3 ASN 4 3.234 -1.440 -9.566 30 HD21 ASN 4 HD21 ASN 4 2.694 0.825 -7.816 31 HD22 ASN 4 HD22 ASN 4 3.213 2.233 -8.666 32 H VAL 5 H VAL 5 3.473 -0.506 -5.186 33 HA VAL 5 HA VAL 5 5.708 1.351 -5.156 34 HB VAL 5 HB VAL 5 3.615 0.805 -3.042 35 HG11 VAL 5 HG11 VAL 5 4.330 2.926 -2.061 36 HG12 VAL 5 HG12 VAL 5 5.592 3.071 -3.286 37 HG13 VAL 5 HG13 VAL 5 5.655 1.763 -2.105 38 HG21 VAL 5 HG21 VAL 5 2.551 2.846 -3.803 39 HG22 VAL 5 HG22 VAL 5 2.665 1.686 -5.128 40 HG23 VAL 5 HG23 VAL 5 3.781 3.049 -5.049 41 H LYS 6 H LYS 6 7.577 1.031 -4.100 42 HA LYS 6 HA LYS 6 8.135 -1.543 -2.985 43 HB2 LYS 6 HB2 LYS 6 9.786 0.991 -2.984 44 HB3 LYS 6 HB3 LYS 6 10.362 -0.589 -2.481 45 HG2 LYS 6 HG2 LYS 6 10.016 -1.450 -4.731 46 HG3 LYS 6 HG3 LYS 6 9.404 0.123 -5.243 47 HD2 LYS 6 HD2 LYS 6 11.709 -0.090 -5.918 48 HD3 LYS 6 HD3 LYS 6 11.586 1.125 -4.645 49 HE2 LYS 6 HE2 LYS 6 12.302 -0.556 -2.998 50 HE3 LYS 6 HE3 LYS 6 12.461 -1.742 -4.293 51 HZ1 LYS 6 HZ1 LYS 6 14.593 -0.780 -3.748 52 HZ2 LYS 6 HZ2 LYS 6 14.008 0.780 -4.035 53 HZ3 LYS 6 HZ3 LYS 6 14.144 -0.320 -5.310 54 H CYS 7 H CYS 7 8.165 -2.164 -0.930 55 HA CYS 7 HA CYS 7 6.913 -0.613 1.088 56 HB2 CYS 7 HB2 CYS 7 6.678 -2.940 1.329 57 HB3 CYS 7 HB3 CYS 7 8.399 -3.232 1.097 58 H LYS 8 H LYS 8 8.014 1.283 1.616 59 HA LYS 8 HA LYS 8 10.808 1.080 2.380 60 HB2 LYS 8 HB2 LYS 8 8.904 3.429 2.270 61 HB3 LYS 8 HB3 LYS 8 10.584 3.542 2.776 62 HG2 LYS 8 HG2 LYS 8 11.333 2.837 0.593 63 HG3 LYS 8 HG3 LYS 8 9.668 2.584 0.072 64 HD2 LYS 8 HD2 LYS 8 9.195 4.902 0.152 65 HD3 LYS 8 HD3 LYS 8 10.687 5.246 1.025 66 HE2 LYS 8 HE2 LYS 8 10.557 4.176 -1.789 67 HE3 LYS 8 HE3 LYS 8 10.768 5.876 -1.376 68 HZ1 LYS 8 HZ1 LYS 8 12.892 4.887 -1.826 69 HZ2 LYS 8 HZ2 LYS 8 12.621 3.652 -0.707 70 HZ3 LYS 8 HZ3 LYS 8 12.808 5.247 -0.176 71 H HIS 9 H HIS 9 7.654 1.857 3.793 72 HA HIS 9 HA HIS 9 8.554 0.938 6.398 73 HB2 HIS 9 HB2 HIS 9 7.335 3.700 6.116 74 HB3 HIS 9 HB3 HIS 9 7.925 2.947 7.593 75 HD1 HIS 9 HD1 HIS 9 9.019 4.799 4.582 76 HD2 HIS 9 HD2 HIS 9 10.753 2.940 7.865 77 HE1 HIS 9 HE1 HIS 9 11.447 5.364 4.456 78 HE2 HIS 9 HE2 HIS 9 12.447 4.410 6.574 79 H SER 10 H SER 10 6.921 -0.064 7.439 80 HA SER 10 HA SER 10 4.499 -0.501 6.014 81 HB2 SER 10 HB2 SER 10 3.911 -1.882 8.030 82 HB3 SER 10 HB3 SER 10 5.446 -2.300 7.270 83 HG SER 10 HG SER 10 5.642 -0.381 9.235 84 H GLY 11 H GLY 11 2.830 0.814 5.975 85 HA2 GLY 11 HA2 GLY 11 1.061 1.948 7.214 86 HA3 GLY 11 HA3 GLY 11 2.296 2.495 8.342 87 H GLN 12 H GLN 12 4.175 3.028 6.110 88 HA GLN 12 HA GLN 12 3.423 5.741 5.623 89 HB2 GLN 12 HB2 GLN 12 5.783 4.972 5.912 90 HB3 GLN 12 HB3 GLN 12 5.671 4.153 4.356 91 HG2 GLN 12 HG2 GLN 12 5.195 6.350 3.307 92 HG3 GLN 12 HG3 GLN 12 5.476 7.109 4.872 93 HE21 GLN 12 HE21 GLN 12 6.922 5.511 2.163 94 HE22 GLN 12 HE22 GLN 12 8.561 5.918 2.548 95 H CYS 13 H CYS 13 2.932 2.771 4.028 96 HA CYS 13 HA CYS 13 2.734 3.867 1.372 97 HB2 CYS 13 HB2 CYS 13 3.535 1.537 1.879 98 HB3 CYS 13 HB3 CYS 13 1.882 1.130 2.326 99 H LEU 14 H LEU 14 0.853 4.350 3.880 100 HA LEU 14 HA LEU 14 -1.744 3.685 2.940 101 HB2 LEU 14 HB2 LEU 14 -0.573 5.181 5.161 102 HB3 LEU 14 HB3 LEU 14 -2.094 5.836 4.604 103 HG LEU 14 HG LEU 14 -2.390 4.268 6.474 104 HD11 LEU 14 HD11 LEU 14 -4.073 4.589 4.661 105 HD12 LEU 14 HD12 LEU 14 -4.208 3.070 5.545 106 HD13 LEU 14 HD13 LEU 14 -3.486 3.096 3.935 107 HD21 LEU 14 HD21 LEU 14 -1.414 2.131 4.586 108 HD22 LEU 14 HD22 LEU 14 -1.931 1.928 6.259 109 HD23 LEU 14 HD23 LEU 14 -0.447 2.808 5.896 110 H LYS 15 H LYS 15 0.431 6.327 2.416 111 HA LYS 15 HA LYS 15 -1.449 8.165 1.371 112 HB2 LYS 15 HB2 LYS 15 1.508 8.005 0.782 113 HB3 LYS 15 HB3 LYS 15 0.469 9.392 0.509 114 HG2 LYS 15 HG2 LYS 15 1.118 8.188 3.191 115 HG3 LYS 15 HG3 LYS 15 1.842 9.646 2.510 116 HD2 LYS 15 HD2 LYS 15 -0.370 10.703 2.456 117 HD3 LYS 15 HD3 LYS 15 -1.076 9.250 3.163 118 HE2 LYS 15 HE2 LYS 15 -0.705 10.963 4.860 119 HE3 LYS 15 HE3 LYS 15 0.297 9.543 5.158 120 HZ1 LYS 15 HZ1 LYS 15 1.555 11.563 5.477 121 HZ2 LYS 15 HZ2 LYS 15 1.200 12.081 3.909 122 HZ3 LYS 15 HZ3 LYS 15 2.167 10.716 4.148 123 HA PRO 16 HA PRO 16 -0.240 6.627 -3.016 124 HB2 PRO 16 HB2 PRO 16 1.139 4.315 -3.290 125 HB3 PRO 16 HB3 PRO 16 1.932 5.887 -3.135 126 HG2 PRO 16 HG2 PRO 16 1.445 3.795 -1.048 127 HG3 PRO 16 HG3 PRO 16 2.913 4.741 -1.362 128 HD2 PRO 16 HD2 PRO 16 1.183 5.372 0.615 129 HD3 PRO 16 HD3 PRO 16 2.097 6.602 -0.278 130 H CYS 17 H CYS 17 -1.166 4.460 -0.485 131 HA CYS 17 HA CYS 17 -2.414 2.543 -2.222 132 HB2 CYS 17 HB2 CYS 17 -1.456 1.959 0.002 133 HB3 CYS 17 HB3 CYS 17 -2.756 2.875 0.759 134 H LYS 18 H LYS 18 -3.498 5.322 -0.310 135 HA LYS 18 HA LYS 18 -6.257 4.742 -0.583 136 HB2 LYS 18 HB2 LYS 18 -6.635 7.053 0.146 137 HB3 LYS 18 HB3 LYS 18 -5.493 6.216 1.181 138 HG2 LYS 18 HG2 LYS 18 -3.680 7.434 0.360 139 HG3 LYS 18 HG3 LYS 18 -4.574 7.976 -1.062 140 HD2 LYS 18 HD2 LYS 18 -4.287 9.765 0.607 141 HD3 LYS 18 HD3 LYS 18 -5.984 9.380 0.325 142 HE2 LYS 18 HE2 LYS 18 -5.624 9.671 2.686 143 HE3 LYS 18 HE3 LYS 18 -5.957 7.972 2.362 144 HZ1 LYS 18 HZ1 LYS 18 -3.579 7.531 2.485 145 HZ2 LYS 18 HZ2 LYS 18 -4.144 8.227 3.919 146 HZ3 LYS 18 HZ3 LYS 18 -3.278 9.166 2.812 147 H LYS 19 H LYS 19 -3.945 6.227 -2.697 148 HA LYS 19 HA LYS 19 -5.974 7.474 -4.356 149 HB2 LYS 19 HB2 LYS 19 -4.200 8.267 -5.721 150 HB3 LYS 19 HB3 LYS 19 -3.631 8.373 -4.066 151 HG2 LYS 19 HG2 LYS 19 -2.240 6.475 -4.320 152 HG3 LYS 19 HG3 LYS 19 -2.958 6.088 -5.882 153 HD2 LYS 19 HD2 LYS 19 -0.813 7.082 -6.263 154 HD3 LYS 19 HD3 LYS 19 -2.049 8.231 -6.763 155 HE2 LYS 19 HE2 LYS 19 -0.858 8.359 -4.017 156 HE3 LYS 19 HE3 LYS 19 -0.016 9.065 -5.391 157 HZ1 LYS 19 HZ1 LYS 19 -1.993 10.423 -5.820 158 HZ2 LYS 19 HZ2 LYS 19 -1.332 10.723 -4.297 159 HZ3 LYS 19 HZ3 LYS 19 -2.733 9.792 -4.437 160 H ALA 20 H ALA 20 -4.454 4.511 -3.970 161 HA ALA 20 HA ALA 20 -4.942 3.443 -6.593 162 HB1 ALA 20 HB1 ALA 20 -4.320 2.082 -3.972 163 HB2 ALA 20 HB2 ALA 20 -3.159 2.526 -5.227 164 HB3 ALA 20 HB3 ALA 20 -4.368 1.282 -5.545 165 H GLY 21 H GLY 21 -6.880 4.256 -4.009 166 HA2 GLY 21 HA2 GLY 21 -9.198 4.052 -3.896 167 HA3 GLY 21 HA3 GLY 21 -9.128 2.799 -5.129 168 H MET 22 H MET 22 -6.839 2.184 -2.777 169 HA MET 22 HA MET 22 -8.544 0.053 -1.744 170 HB2 MET 22 HB2 MET 22 -5.551 0.388 -1.486 171 HB3 MET 22 HB3 MET 22 -6.485 -1.007 -0.981 172 HG2 MET 22 HG2 MET 22 -6.117 -0.030 -3.795 173 HG3 MET 22 HG3 MET 22 -5.415 -1.473 -3.066 174 HE1 MET 22 HE1 MET 22 -7.210 -1.202 -5.823 175 HE2 MET 22 HE2 MET 22 -8.114 -2.713 -5.723 176 HE3 MET 22 HE3 MET 22 -6.395 -2.686 -5.328 177 H ARG 23 H ARG 23 -7.705 -0.600 0.623 178 HA ARG 23 HA ARG 23 -8.655 1.685 2.156 179 HB2 ARG 23 HB2 ARG 23 -9.623 -0.664 2.300 180 HB3 ARG 23 HB3 ARG 23 -8.171 -1.103 3.184 181 HG2 ARG 23 HG2 ARG 23 -8.825 -0.050 5.056 182 HG3 ARG 23 HG3 ARG 23 -9.599 1.267 4.174 183 HD2 ARG 23 HD2 ARG 23 -11.156 -0.226 5.458 184 HD3 ARG 23 HD3 ARG 23 -11.534 -0.038 3.750 185 HE ARG 23 HE ARG 23 -10.398 -2.251 3.455 186 HH11 ARG 23 HH11 ARG 23 -11.842 -1.359 6.525 187 HH12 ARG 23 HH12 ARG 23 -12.157 -2.997 6.990 188 HH21 ARG 23 HH21 ARG 23 -10.813 -4.393 4.070 189 HH22 ARG 23 HH22 ARG 23 -11.583 -4.727 5.585 190 H PHE 24 H PHE 24 -6.261 -0.818 3.071 191 HA PHE 24 HA PHE 24 -4.488 1.375 3.918 192 HB2 PHE 24 HB2 PHE 24 -3.973 -1.155 5.277 193 HB3 PHE 24 HB3 PHE 24 -4.127 0.462 5.946 194 HD1 PHE 24 HD1 PHE 24 -5.882 -2.579 5.014 195 HD2 PHE 24 HD2 PHE 24 -6.205 1.203 6.912 196 HE1 PHE 24 HE1 PHE 24 -8.035 -3.252 5.944 197 HE2 PHE 24 HE2 PHE 24 -8.370 0.533 7.884 198 HZ PHE 24 HZ PHE 24 -9.289 -1.704 7.402 199 H GLY 25 H GLY 25 -2.257 0.947 3.743 200 HA2 GLY 25 HA2 GLY 25 -1.585 -1.024 1.682 201 HA3 GLY 25 HA3 GLY 25 -0.687 0.455 1.993 202 H LYS 26 H LYS 26 -0.820 -2.831 2.517 203 HA LYS 26 HA LYS 26 0.705 -2.809 5.003 204 HB2 LYS 26 HB2 LYS 26 -1.107 -4.511 4.511 205 HB3 LYS 26 HB3 LYS 26 -0.050 -5.154 3.267 206 HG2 LYS 26 HG2 LYS 26 1.667 -5.524 5.070 207 HG3 LYS 26 HG3 LYS 26 0.389 -5.161 6.232 208 HD2 LYS 26 HD2 LYS 26 0.336 -7.354 4.161 209 HD3 LYS 26 HD3 LYS 26 0.619 -7.568 5.887 210 HE2 LYS 26 HE2 LYS 26 -1.898 -6.450 4.660 211 HE3 LYS 26 HE3 LYS 26 -1.692 -8.106 5.225 212 HZ1 LYS 26 HZ1 LYS 26 -2.808 -6.727 6.865 213 HZ2 LYS 26 HZ2 LYS 26 -1.487 -5.675 6.917 214 HZ3 LYS 26 HZ3 LYS 26 -1.319 -7.271 7.452 215 H CYS 27 H CYS 27 2.776 -3.801 5.127 216 HA CYS 27 HA CYS 27 4.351 -3.417 2.713 217 HB2 CYS 27 HB2 CYS 27 4.880 -3.350 5.575 218 HB3 CYS 27 HB3 CYS 27 6.094 -4.267 4.687 219 H ILE 28 H ILE 28 4.782 -4.998 1.394 220 HA ILE 28 HA ILE 28 4.762 -7.757 2.403 221 HB ILE 28 HB ILE 28 3.350 -6.666 0.271 222 HG12 ILE 28 HG12 ILE 28 2.801 -9.023 -0.271 223 HG13 ILE 28 HG13 ILE 28 4.089 -9.546 0.808 224 HG21 ILE 28 HG21 ILE 28 5.647 -8.278 -0.861 225 HG22 ILE 28 HG22 ILE 28 5.347 -6.554 -1.110 226 HG23 ILE 28 HG23 ILE 28 4.211 -7.744 -1.745 227 HD11 ILE 28 HD11 ILE 28 2.890 -8.372 2.658 228 HD12 ILE 28 HD12 ILE 28 2.020 -9.735 1.962 229 HD13 ILE 28 HD13 ILE 28 1.564 -8.090 1.536 230 H ASN 29 H ASN 29 6.349 -9.197 1.222 231 HA ASN 29 HA ASN 29 8.954 -8.494 1.414 232 HB2 ASN 29 HB2 ASN 29 8.661 -10.744 1.028 233 HB3 ASN 29 HB3 ASN 29 7.488 -10.483 -0.255 234 HD21 ASN 29 HD21 ASN 29 8.145 -10.357 -2.316 235 HD22 ASN 29 HD22 ASN 29 9.773 -10.588 -2.827 236 H GLY 30 H GLY 30 9.536 -6.533 0.771 237 HA2 GLY 30 HA2 GLY 30 10.645 -5.134 -0.694 238 HA3 GLY 30 HA3 GLY 30 10.229 -6.226 -2.002 239 H LYS 31 H LYS 31 7.264 -5.922 -1.092 240 HA LYS 31 HA LYS 31 6.930 -3.457 -2.694 241 HB2 LYS 31 HB2 LYS 31 5.295 -5.987 -2.963 242 HB3 LYS 31 HB3 LYS 31 5.128 -4.528 -3.926 243 HG2 LYS 31 HG2 LYS 31 7.594 -6.249 -3.877 244 HG3 LYS 31 HG3 LYS 31 6.306 -6.387 -5.071 245 HD2 LYS 31 HD2 LYS 31 6.706 -4.035 -5.721 246 HD3 LYS 31 HD3 LYS 31 8.056 -3.979 -4.583 247 HE2 LYS 31 HE2 LYS 31 9.181 -5.757 -5.803 248 HE3 LYS 31 HE3 LYS 31 7.816 -5.886 -6.909 249 HZ1 LYS 31 HZ1 LYS 31 8.250 -3.580 -7.592 250 HZ2 LYS 31 HZ2 LYS 31 9.552 -4.608 -7.918 251 HZ3 LYS 31 HZ3 LYS 31 9.621 -3.552 -6.602 252 H CYS 32 H CYS 32 4.373 -3.026 -2.750 253 HA CYS 32 HA CYS 32 3.498 -3.037 0.056 254 HB2 CYS 32 HB2 CYS 32 3.997 -0.785 -0.848 255 HB3 CYS 32 HB3 CYS 32 2.796 -1.038 -2.112 256 H ASP 33 H ASP 33 1.952 -4.420 0.405 257 HA ASP 33 HA ASP 33 0.025 -4.993 -1.742 258 HB2 ASP 33 HB2 ASP 33 1.069 -6.984 -0.926 259 HB3 ASP 33 HB3 ASP 33 0.730 -6.554 0.746 260 H CYS 34 H CYS 34 -1.821 -3.999 -1.645 261 HA CYS 34 HA CYS 34 -2.577 -2.620 0.792 262 HB2 CYS 34 HB2 CYS 34 -3.493 -2.472 -2.052 263 HB3 CYS 34 HB3 CYS 34 -4.445 -1.746 -0.767 264 H THR 35 H THR 35 -4.643 -2.683 1.691 265 HA THR 35 HA THR 35 -6.029 -5.253 1.352 266 HB THR 35 HB THR 35 -6.431 -3.066 3.393 267 HG1 THR 35 HG1 THR 35 -4.588 -5.071 3.201 268 HG21 THR 35 HG21 THR 35 -8.428 -4.443 3.037 269 HG22 THR 35 HG22 THR 35 -7.720 -4.721 4.635 270 HG23 THR 35 HG23 THR 35 -7.471 -5.897 3.347 271 HA PRO 36 HA PRO 36 -9.033 -3.060 -1.099 272 HB2 PRO 36 HB2 PRO 36 -10.889 -5.256 -0.688 273 HB3 PRO 36 HB3 PRO 36 -10.058 -4.756 -2.160 274 HG2 PRO 36 HG2 PRO 36 -9.495 -7.061 -0.810 275 HG3 PRO 36 HG3 PRO 36 -8.330 -6.204 -1.830 276 HD2 PRO 36 HD2 PRO 36 -8.574 -6.255 1.139 277 HD3 PRO 36 HD3 PRO 36 -7.122 -6.177 0.121 278 H LYS 37 H LYS 37 -11.306 -2.427 -0.971 279 HA LYS 37 HA LYS 37 -12.035 -1.548 1.663 280 HB2 LYS 37 HB2 LYS 37 -13.496 -1.297 -0.977 281 HB3 LYS 37 HB3 LYS 37 -13.945 -0.477 0.509 282 HG2 LYS 37 HG2 LYS 37 -11.286 -0.095 -0.840 283 HG3 LYS 37 HG3 LYS 37 -12.701 0.902 -1.180 284 HD2 LYS 37 HD2 LYS 37 -12.804 1.531 1.196 285 HD3 LYS 37 HD3 LYS 37 -11.361 0.562 1.503 286 HE2 LYS 37 HE2 LYS 37 -10.836 2.949 1.269 287 HE3 LYS 37 HE3 LYS 37 -10.062 1.976 0.021 288 HZ1 LYS 37 HZ1 LYS 37 -11.770 2.649 -1.531 289 HZ2 LYS 37 HZ2 LYS 37 -11.026 4.013 -0.868 290 HZ3 LYS 37 HZ3 LYS 37 -12.558 3.544 -0.333 Start of MODEL 10 1 H1 VAL 1 H1 VAL 1 -4.326 -8.112 -5.368 2 H2 VAL 1 H2 VAL 1 -4.524 -7.349 -6.862 3 H3 VAL 1 H3 VAL 1 -5.842 -7.514 -5.817 4 HA VAL 1 HA VAL 1 -4.970 -5.262 -5.805 5 HB VAL 1 HB VAL 1 -4.743 -4.975 -3.406 6 HG11 VAL 1 HG11 VAL 1 -6.976 -5.341 -4.168 7 HG12 VAL 1 HG12 VAL 1 -6.768 -6.238 -2.666 8 HG13 VAL 1 HG13 VAL 1 -6.735 -7.085 -4.209 9 HG21 VAL 1 HG21 VAL 1 -3.171 -6.807 -3.014 10 HG22 VAL 1 HG22 VAL 1 -4.471 -7.973 -3.254 11 HG23 VAL 1 HG23 VAL 1 -4.529 -6.855 -1.891 12 H GLY 2 H GLY 2 -3.191 -3.949 -4.607 13 HA2 GLY 2 HA2 GLY 2 -0.809 -4.151 -3.872 14 HA3 GLY 2 HA3 GLY 2 -0.587 -5.165 -5.292 15 H ILE 3 H ILE 3 0.554 -2.510 -4.395 16 HA ILE 3 HA ILE 3 -0.155 -0.955 -6.791 17 HB ILE 3 HB ILE 3 0.693 1.033 -5.471 18 HG12 ILE 3 HG12 ILE 3 0.432 -0.935 -3.186 19 HG13 ILE 3 HG13 ILE 3 1.916 -0.165 -3.734 20 HG21 ILE 3 HG21 ILE 3 -1.417 1.324 -4.254 21 HG22 ILE 3 HG22 ILE 3 -1.761 -0.394 -4.455 22 HG23 ILE 3 HG23 ILE 3 -1.674 0.658 -5.867 23 HD11 ILE 3 HD11 ILE 3 1.032 2.006 -3.061 24 HD12 ILE 3 HD12 ILE 3 1.080 0.875 -1.710 25 HD13 ILE 3 HD13 ILE 3 -0.452 1.232 -2.510 26 H ASN 4 H ASN 4 1.656 0.424 -7.572 27 HA ASN 4 HA ASN 4 3.941 -1.260 -7.997 28 HB2 ASN 4 HB2 ASN 4 4.628 0.290 -9.665 29 HB3 ASN 4 HB3 ASN 4 2.879 0.186 -9.770 30 HD21 ASN 4 HD21 ASN 4 2.419 1.919 -7.450 31 HD22 ASN 4 HD22 ASN 4 2.805 3.519 -7.973 32 H VAL 5 H VAL 5 3.723 -0.425 -5.308 33 HA VAL 5 HA VAL 5 6.019 1.398 -4.996 34 HB VAL 5 HB VAL 5 3.814 0.903 -2.986 35 HG11 VAL 5 HG11 VAL 5 4.667 2.882 -1.867 36 HG12 VAL 5 HG12 VAL 5 5.909 3.069 -3.105 37 HG13 VAL 5 HG13 VAL 5 5.938 1.669 -2.030 38 HG21 VAL 5 HG21 VAL 5 2.797 2.948 -3.626 39 HG22 VAL 5 HG22 VAL 5 3.005 1.984 -5.089 40 HG23 VAL 5 HG23 VAL 5 4.105 3.322 -4.749 41 H LYS 6 H LYS 6 7.544 0.855 -3.393 42 HA LYS 6 HA LYS 6 7.417 -1.922 -2.448 43 HB2 LYS 6 HB2 LYS 6 9.760 -0.116 -3.028 44 HB3 LYS 6 HB3 LYS 6 9.922 -1.633 -2.153 45 HG2 LYS 6 HG2 LYS 6 9.089 -2.863 -4.067 46 HG3 LYS 6 HG3 LYS 6 8.823 -1.357 -4.944 47 HD2 LYS 6 HD2 LYS 6 11.522 -2.223 -3.932 48 HD3 LYS 6 HD3 LYS 6 10.922 -2.620 -5.542 49 HE2 LYS 6 HE2 LYS 6 11.249 0.171 -4.443 50 HE3 LYS 6 HE3 LYS 6 12.377 -0.630 -5.534 51 HZ1 LYS 6 HZ1 LYS 6 9.536 -0.014 -6.147 52 HZ2 LYS 6 HZ2 LYS 6 10.633 -0.761 -7.192 53 HZ3 LYS 6 HZ3 LYS 6 10.874 0.843 -6.722 54 H CYS 7 H CYS 7 7.917 -2.378 -0.288 55 HA CYS 7 HA CYS 7 6.841 -0.444 1.489 56 HB2 CYS 7 HB2 CYS 7 6.354 -2.673 2.052 57 HB3 CYS 7 HB3 CYS 7 8.035 -3.174 1.901 58 H LYS 8 H LYS 8 8.236 1.384 1.495 59 HA LYS 8 HA LYS 8 10.805 1.013 2.808 60 HB2 LYS 8 HB2 LYS 8 9.353 3.485 1.839 61 HB3 LYS 8 HB3 LYS 8 10.916 3.517 2.642 62 HG2 LYS 8 HG2 LYS 8 11.910 2.240 0.846 63 HG3 LYS 8 HG3 LYS 8 10.339 2.077 0.060 64 HD2 LYS 8 HD2 LYS 8 11.683 4.720 0.603 65 HD3 LYS 8 HD3 LYS 8 11.825 3.840 -0.918 66 HE2 LYS 8 HE2 LYS 8 9.384 3.945 -1.186 67 HE3 LYS 8 HE3 LYS 8 9.267 4.856 0.317 68 HZ1 LYS 8 HZ1 LYS 8 9.201 6.335 -1.566 69 HZ2 LYS 8 HZ2 LYS 8 10.666 5.731 -2.151 70 HZ3 LYS 8 HZ3 LYS 8 10.628 6.595 -0.700 71 H HIS 9 H HIS 9 7.609 2.360 3.329 72 HA HIS 9 HA HIS 9 7.839 1.980 6.207 73 HB2 HIS 9 HB2 HIS 9 6.930 4.642 5.071 74 HB3 HIS 9 HB3 HIS 9 7.109 4.221 6.768 75 HD1 HIS 9 HD1 HIS 9 9.107 5.076 3.717 76 HD2 HIS 9 HD2 HIS 9 9.681 4.503 7.787 77 HE1 HIS 9 HE1 HIS 9 11.476 5.729 4.148 78 HE2 HIS 9 HE2 HIS 9 11.849 5.257 6.595 79 H SER 10 H SER 10 5.970 1.081 6.894 80 HA SER 10 HA SER 10 3.898 0.532 5.044 81 HB2 SER 10 HB2 SER 10 2.744 -0.420 7.111 82 HB3 SER 10 HB3 SER 10 4.327 -1.091 6.723 83 HG SER 10 HG SER 10 3.593 0.650 8.804 84 H GLY 11 H GLY 11 4.409 3.085 7.325 85 HA2 GLY 11 HA2 GLY 11 1.710 4.056 7.306 86 HA3 GLY 11 HA3 GLY 11 3.134 4.945 7.831 87 H GLN 12 H GLN 12 4.597 4.620 5.396 88 HA GLN 12 HA GLN 12 3.560 6.814 3.899 89 HB2 GLN 12 HB2 GLN 12 5.947 6.516 4.044 90 HB3 GLN 12 HB3 GLN 12 5.840 4.893 3.366 91 HG2 GLN 12 HG2 GLN 12 5.069 5.856 1.248 92 HG3 GLN 12 HG3 GLN 12 5.229 7.469 1.939 93 HE21 GLN 12 HE21 GLN 12 7.627 6.905 3.401 94 HE22 GLN 12 HE22 GLN 12 8.901 6.805 2.236 95 H CYS 13 H CYS 13 3.392 3.376 3.678 96 HA CYS 13 HA CYS 13 2.860 3.062 0.945 97 HB2 CYS 13 HB2 CYS 13 3.496 1.290 2.652 98 HB3 CYS 13 HB3 CYS 13 1.810 1.300 3.158 99 H LEU 14 H LEU 14 0.939 4.273 3.483 100 HA LEU 14 HA LEU 14 -1.632 3.619 2.450 101 HB2 LEU 14 HB2 LEU 14 -0.522 5.242 4.634 102 HB3 LEU 14 HB3 LEU 14 -2.048 5.813 3.998 103 HG LEU 14 HG LEU 14 -3.081 3.643 4.496 104 HD11 LEU 14 HD11 LEU 14 -1.186 2.181 4.214 105 HD12 LEU 14 HD12 LEU 14 -1.836 1.991 5.844 106 HD13 LEU 14 HD13 LEU 14 -0.364 2.928 5.584 107 HD21 LEU 14 HD21 LEU 14 -3.080 5.432 6.181 108 HD22 LEU 14 HD22 LEU 14 -1.597 4.770 6.863 109 HD23 LEU 14 HD23 LEU 14 -3.085 3.825 6.907 110 H LYS 15 H LYS 15 0.622 6.231 1.968 111 HA LYS 15 HA LYS 15 -1.108 8.183 0.974 112 HB2 LYS 15 HB2 LYS 15 1.806 7.711 0.359 113 HB3 LYS 15 HB3 LYS 15 0.918 9.145 -0.126 114 HG2 LYS 15 HG2 LYS 15 0.568 9.774 2.155 115 HG3 LYS 15 HG3 LYS 15 1.249 8.250 2.727 116 HD2 LYS 15 HD2 LYS 15 2.882 10.033 2.949 117 HD3 LYS 15 HD3 LYS 15 3.417 8.866 1.740 118 HE2 LYS 15 HE2 LYS 15 3.847 11.068 0.905 119 HE3 LYS 15 HE3 LYS 15 2.523 10.375 -0.025 120 HZ1 LYS 15 HZ1 LYS 15 0.965 11.640 1.330 121 HZ2 LYS 15 HZ2 LYS 15 2.068 12.665 0.562 122 HZ3 LYS 15 HZ3 LYS 15 2.246 12.313 2.207 123 HA PRO 16 HA PRO 16 -0.468 6.647 -3.483 124 HB2 PRO 16 HB2 PRO 16 0.853 4.362 -4.012 125 HB3 PRO 16 HB3 PRO 16 1.689 5.907 -3.823 126 HG2 PRO 16 HG2 PRO 16 1.388 3.662 -1.872 127 HG3 PRO 16 HG3 PRO 16 2.806 4.668 -2.212 128 HD2 PRO 16 HD2 PRO 16 1.133 5.051 -0.076 129 HD3 PRO 16 HD3 PRO 16 2.107 6.331 -0.817 130 H CYS 17 H CYS 17 -1.164 4.472 -0.919 131 HA CYS 17 HA CYS 17 -2.589 2.556 -2.521 132 HB2 CYS 17 HB2 CYS 17 -1.387 1.968 -0.416 133 HB3 CYS 17 HB3 CYS 17 -2.599 2.878 0.481 134 H LYS 18 H LYS 18 -3.424 5.314 -0.478 135 HA LYS 18 HA LYS 18 -6.226 4.895 -0.530 136 HB2 LYS 18 HB2 LYS 18 -6.391 7.216 0.198 137 HB3 LYS 18 HB3 LYS 18 -5.125 6.388 1.090 138 HG2 LYS 18 HG2 LYS 18 -3.436 7.411 -0.296 139 HG3 LYS 18 HG3 LYS 18 -4.679 8.181 -1.281 140 HD2 LYS 18 HD2 LYS 18 -5.434 9.440 0.694 141 HD3 LYS 18 HD3 LYS 18 -4.169 8.675 1.656 142 HE2 LYS 18 HE2 LYS 18 -2.474 9.658 0.173 143 HE3 LYS 18 HE3 LYS 18 -3.752 10.452 -0.744 144 HZ1 LYS 18 HZ1 LYS 18 -3.136 10.912 2.123 145 HZ2 LYS 18 HZ2 LYS 18 -4.366 11.674 1.247 146 HZ3 LYS 18 HZ3 LYS 18 -2.746 11.952 0.848 147 H LYS 19 H LYS 19 -3.947 6.142 -2.790 148 HA LYS 19 HA LYS 19 -5.914 7.475 -4.450 149 HB2 LYS 19 HB2 LYS 19 -2.994 6.831 -4.922 150 HB3 LYS 19 HB3 LYS 19 -4.000 7.755 -6.025 151 HG2 LYS 19 HG2 LYS 19 -3.336 8.549 -3.195 152 HG3 LYS 19 HG3 LYS 19 -2.554 9.176 -4.646 153 HD2 LYS 19 HD2 LYS 19 -5.478 9.457 -3.949 154 HD3 LYS 19 HD3 LYS 19 -4.258 10.719 -3.799 155 HE2 LYS 19 HE2 LYS 19 -5.116 9.387 -6.370 156 HE3 LYS 19 HE3 LYS 19 -5.601 10.991 -5.828 157 HZ1 LYS 19 HZ1 LYS 19 -2.828 10.139 -6.468 158 HZ2 LYS 19 HZ2 LYS 19 -3.279 11.675 -5.920 159 HZ3 LYS 19 HZ3 LYS 19 -3.813 11.127 -7.426 160 H ALA 20 H ALA 20 -4.904 4.386 -3.856 161 HA ALA 20 HA ALA 20 -5.414 3.335 -6.527 162 HB1 ALA 20 HB1 ALA 20 -4.677 1.983 -3.928 163 HB2 ALA 20 HB2 ALA 20 -3.597 2.335 -5.283 164 HB3 ALA 20 HB3 ALA 20 -4.889 1.148 -5.471 165 H GLY 21 H GLY 21 -7.083 4.090 -3.691 166 HA2 GLY 21 HA2 GLY 21 -9.400 3.991 -3.392 167 HA3 GLY 21 HA3 GLY 21 -9.496 2.825 -4.703 168 H MET 22 H MET 22 -7.062 2.125 -2.449 169 HA MET 22 HA MET 22 -8.695 -0.075 -1.436 170 HB2 MET 22 HB2 MET 22 -5.707 0.373 -1.281 171 HB3 MET 22 HB3 MET 22 -6.551 -1.031 -0.653 172 HG2 MET 22 HG2 MET 22 -6.374 -0.181 -3.528 173 HG3 MET 22 HG3 MET 22 -5.573 -1.557 -2.772 174 HE1 MET 22 HE1 MET 22 -8.272 -3.156 -5.170 175 HE2 MET 22 HE2 MET 22 -6.554 -3.053 -4.792 176 HE3 MET 22 HE3 MET 22 -7.398 -1.650 -5.444 177 H ARG 23 H ARG 23 -7.722 -0.686 0.970 178 HA ARG 23 HA ARG 23 -8.684 1.598 2.505 179 HB2 ARG 23 HB2 ARG 23 -9.619 -0.723 2.807 180 HB3 ARG 23 HB3 ARG 23 -8.077 -1.179 3.518 181 HG2 ARG 23 HG2 ARG 23 -8.598 -0.274 5.475 182 HG3 ARG 23 HG3 ARG 23 -9.185 1.212 4.726 183 HD2 ARG 23 HD2 ARG 23 -10.939 0.015 5.981 184 HD3 ARG 23 HD3 ARG 23 -11.321 0.195 4.272 185 HE ARG 23 HE ARG 23 -10.059 -2.306 4.929 186 HH11 ARG 23 HH11 ARG 23 -13.078 -0.568 4.732 187 HH12 ARG 23 HH12 ARG 23 -14.048 -1.995 4.563 188 HH21 ARG 23 HH21 ARG 23 -11.321 -4.203 4.709 189 HH22 ARG 23 HH22 ARG 23 -13.042 -4.074 4.550 190 H PHE 24 H PHE 24 -6.088 -0.802 3.092 191 HA PHE 24 HA PHE 24 -4.332 1.453 3.791 192 HB2 PHE 24 HB2 PHE 24 -3.603 -1.000 5.173 193 HB3 PHE 24 HB3 PHE 24 -3.783 0.625 5.812 194 HD1 PHE 24 HD1 PHE 24 -5.484 -2.491 5.038 195 HD2 PHE 24 HD2 PHE 24 -5.751 1.241 7.030 196 HE1 PHE 24 HE1 PHE 24 -7.490 -3.273 6.169 197 HE2 PHE 24 HE2 PHE 24 -7.773 0.468 8.210 198 HZ PHE 24 HZ PHE 24 -8.649 -1.799 7.782 199 H GLY 25 H GLY 25 -2.037 0.806 3.721 200 HA2 GLY 25 HA2 GLY 25 -1.520 -1.160 1.601 201 HA3 GLY 25 HA3 GLY 25 -0.556 0.291 1.856 202 H LYS 26 H LYS 26 -0.790 -2.980 2.480 203 HA LYS 26 HA LYS 26 0.680 -2.885 4.996 204 HB2 LYS 26 HB2 LYS 26 -1.226 -4.525 4.491 205 HB3 LYS 26 HB3 LYS 26 -0.080 -5.341 3.441 206 HG2 LYS 26 HG2 LYS 26 1.413 -5.701 5.343 207 HG3 LYS 26 HG3 LYS 26 0.237 -4.918 6.399 208 HD2 LYS 26 HD2 LYS 26 -0.272 -7.403 4.765 209 HD3 LYS 26 HD3 LYS 26 0.104 -7.379 6.489 210 HE2 LYS 26 HE2 LYS 26 -1.918 -6.061 6.905 211 HE3 LYS 26 HE3 LYS 26 -2.291 -6.091 5.183 212 HZ1 LYS 26 HZ1 LYS 26 -2.450 -8.508 5.315 213 HZ2 LYS 26 HZ2 LYS 26 -3.553 -7.758 6.351 214 HZ3 LYS 26 HZ3 LYS 26 -2.144 -8.450 6.977 215 H CYS 27 H CYS 27 2.702 -3.867 5.246 216 HA CYS 27 HA CYS 27 4.392 -3.698 2.911 217 HB2 CYS 27 HB2 CYS 27 4.886 -4.065 5.840 218 HB3 CYS 27 HB3 CYS 27 6.159 -4.443 4.682 219 H ILE 28 H ILE 28 4.591 -5.293 1.584 220 HA ILE 28 HA ILE 28 4.393 -8.043 2.581 221 HB ILE 28 HB ILE 28 3.067 -6.799 0.465 222 HG12 ILE 28 HG12 ILE 28 2.158 -9.011 0.006 223 HG13 ILE 28 HG13 ILE 28 3.470 -9.760 0.909 224 HG21 ILE 28 HG21 ILE 28 5.178 -8.643 -0.649 225 HG22 ILE 28 HG22 ILE 28 5.002 -6.911 -0.967 226 HG23 ILE 28 HG23 ILE 28 3.772 -8.038 -1.539 227 HD11 ILE 28 HD11 ILE 28 1.465 -7.861 2.103 228 HD12 ILE 28 HD12 ILE 28 2.664 -8.830 2.960 229 HD13 ILE 28 HD13 ILE 28 1.318 -9.617 2.138 230 H ASN 29 H ASN 29 5.777 -9.561 1.070 231 HA ASN 29 HA ASN 29 8.433 -9.269 1.517 232 HB2 ASN 29 HB2 ASN 29 8.776 -10.856 -0.412 233 HB3 ASN 29 HB3 ASN 29 7.584 -11.353 0.778 234 HD21 ASN 29 HD21 ASN 29 5.429 -11.433 0.235 235 HD22 ASN 29 HD22 ASN 29 4.888 -11.380 -1.407 236 H GLY 30 H GLY 30 8.999 -7.086 1.207 237 HA2 GLY 30 HA2 GLY 30 10.440 -5.673 0.066 238 HA3 GLY 30 HA3 GLY 30 10.213 -6.642 -1.379 239 H LYS 31 H LYS 31 7.135 -6.243 -0.737 240 HA LYS 31 HA LYS 31 7.109 -3.758 -2.325 241 HB2 LYS 31 HB2 LYS 31 5.533 -6.280 -2.807 242 HB3 LYS 31 HB3 LYS 31 5.206 -4.754 -3.614 243 HG2 LYS 31 HG2 LYS 31 7.499 -4.790 -4.532 244 HG3 LYS 31 HG3 LYS 31 7.734 -6.376 -3.795 245 HD2 LYS 31 HD2 LYS 31 5.850 -7.247 -5.109 246 HD3 LYS 31 HD3 LYS 31 5.652 -5.665 -5.860 247 HE2 LYS 31 HE2 LYS 31 7.934 -5.836 -6.766 248 HE3 LYS 31 HE3 LYS 31 8.081 -7.441 -6.051 249 HZ1 LYS 31 HZ1 LYS 31 6.151 -6.620 -8.152 250 HZ2 LYS 31 HZ2 LYS 31 6.187 -8.146 -7.421 251 HZ3 LYS 31 HZ3 LYS 31 7.494 -7.627 -8.357 252 H CYS 32 H CYS 32 4.828 -2.902 -2.591 253 HA CYS 32 HA CYS 32 3.597 -2.755 0.058 254 HB2 CYS 32 HB2 CYS 32 4.130 -0.871 -2.078 255 HB3 CYS 32 HB3 CYS 32 2.438 -0.815 -1.598 256 H ASP 33 H ASP 33 2.097 -4.289 0.252 257 HA ASP 33 HA ASP 33 0.246 -4.743 -1.996 258 HB2 ASP 33 HB2 ASP 33 1.525 -6.702 -1.046 259 HB3 ASP 33 HB3 ASP 33 0.620 -6.473 0.445 260 H CYS 34 H CYS 34 -1.675 -3.839 -1.835 261 HA CYS 34 HA CYS 34 -2.437 -2.544 0.625 262 HB2 CYS 34 HB2 CYS 34 -3.578 -2.519 -2.148 263 HB3 CYS 34 HB3 CYS 34 -4.400 -1.756 -0.799 264 H THR 35 H THR 35 -4.402 -2.726 1.669 265 HA THR 35 HA THR 35 -5.784 -5.295 1.317 266 HB THR 35 HB THR 35 -5.855 -3.254 3.528 267 HG1 THR 35 HG1 THR 35 -4.232 -5.344 3.005 268 HG21 THR 35 HG21 THR 35 -8.021 -4.393 3.261 269 HG22 THR 35 HG22 THR 35 -7.218 -4.814 4.778 270 HG23 THR 35 HG23 THR 35 -7.198 -5.949 3.428 271 HA PRO 36 HA PRO 36 -8.745 -2.763 -0.880 272 HB2 PRO 36 HB2 PRO 36 -10.474 -4.730 -1.500 273 HB3 PRO 36 HB3 PRO 36 -8.923 -4.546 -2.316 274 HG2 PRO 36 HG2 PRO 36 -9.650 -6.379 -0.067 275 HG3 PRO 36 HG3 PRO 36 -8.772 -6.747 -1.565 276 HD2 PRO 36 HD2 PRO 36 -7.493 -6.297 0.743 277 HD3 PRO 36 HD3 PRO 36 -6.814 -5.774 -0.801 278 H LYS 37 H LYS 37 -10.766 -1.906 -0.517 279 HA LYS 37 HA LYS 37 -11.889 -2.347 2.119 280 HB2 LYS 37 HB2 LYS 37 -13.394 -0.418 1.486 281 HB3 LYS 37 HB3 LYS 37 -11.679 -0.049 1.555 282 HG2 LYS 37 HG2 LYS 37 -11.499 0.042 -0.794 283 HG3 LYS 37 HG3 LYS 37 -13.076 -0.717 -1.017 284 HD2 LYS 37 HD2 LYS 37 -13.175 1.681 -1.469 285 HD3 LYS 37 HD3 LYS 37 -14.168 1.254 -0.078 286 HE2 LYS 37 HE2 LYS 37 -13.025 3.237 0.503 287 HE3 LYS 37 HE3 LYS 37 -12.224 1.932 1.370 288 HZ1 LYS 37 HZ1 LYS 37 -10.582 1.915 -0.517 289 HZ2 LYS 37 HZ2 LYS 37 -10.534 3.278 0.480 290 HZ3 LYS 37 HZ3 LYS 37 -11.275 3.369 -1.037 Start of MODEL 11 1 H1 VAL 1 H1 VAL 1 -3.737 -6.300 -6.592 2 H2 VAL 1 H2 VAL 1 -4.967 -7.334 -6.075 3 H3 VAL 1 H3 VAL 1 -3.489 -7.311 -5.260 4 HA VAL 1 HA VAL 1 -5.389 -5.052 -5.414 5 HB VAL 1 HB VAL 1 -5.725 -5.428 -2.992 6 HG11 VAL 1 HG11 VAL 1 -7.457 -6.230 -4.361 7 HG12 VAL 1 HG12 VAL 1 -7.089 -7.555 -3.255 8 HG13 VAL 1 HG13 VAL 1 -6.496 -7.603 -4.915 9 HG21 VAL 1 HG21 VAL 1 -3.617 -6.671 -2.641 10 HG22 VAL 1 HG22 VAL 1 -4.338 -8.062 -3.449 11 HG23 VAL 1 HG23 VAL 1 -5.025 -7.463 -1.938 12 H GLY 2 H GLY 2 -2.210 -5.838 -5.380 13 HA2 GLY 2 HA2 GLY 2 -1.422 -3.850 -3.393 14 HA3 GLY 2 HA3 GLY 2 -0.350 -4.954 -4.239 15 H ILE 3 H ILE 3 0.728 -2.691 -4.225 16 HA ILE 3 HA ILE 3 0.099 -1.415 -6.795 17 HB ILE 3 HB ILE 3 0.889 0.747 -5.794 18 HG12 ILE 3 HG12 ILE 3 0.610 -0.817 -3.221 19 HG13 ILE 3 HG13 ILE 3 2.088 -0.116 -3.869 20 HG21 ILE 3 HG21 ILE 3 -1.232 1.201 -4.583 21 HG22 ILE 3 HG22 ILE 3 -1.597 -0.523 -4.667 22 HG23 ILE 3 HG23 ILE 3 -1.452 0.422 -6.149 23 HD11 ILE 3 HD11 ILE 3 1.199 2.112 -3.537 24 HD12 ILE 3 HD12 ILE 3 1.167 1.196 -2.031 25 HD13 ILE 3 HD13 ILE 3 -0.319 1.437 -2.949 26 H ASN 4 H ASN 4 1.918 -0.373 -7.798 27 HA ASN 4 HA ASN 4 4.225 -2.038 -7.742 28 HB2 ASN 4 HB2 ASN 4 5.007 -0.804 -9.615 29 HB3 ASN 4 HB3 ASN 4 3.264 -0.925 -9.793 30 HD21 ASN 4 HD21 ASN 4 2.681 1.171 -7.847 31 HD22 ASN 4 HD22 ASN 4 3.119 2.663 -8.598 32 H VAL 5 H VAL 5 3.524 0.022 -5.477 33 HA VAL 5 HA VAL 5 5.992 1.534 -5.313 34 HB VAL 5 HB VAL 5 3.794 1.223 -3.255 35 HG11 VAL 5 HG11 VAL 5 4.720 3.279 -2.287 36 HG12 VAL 5 HG12 VAL 5 6.017 3.247 -3.480 37 HG13 VAL 5 HG13 VAL 5 5.894 1.962 -2.280 38 HG21 VAL 5 HG21 VAL 5 2.899 3.301 -4.033 39 HG22 VAL 5 HG22 VAL 5 3.023 2.200 -5.405 40 HG23 VAL 5 HG23 VAL 5 4.210 3.488 -5.195 41 H LYS 6 H LYS 6 7.735 0.978 -4.102 42 HA LYS 6 HA LYS 6 7.764 -1.681 -2.946 43 HB2 LYS 6 HB2 LYS 6 10.002 0.343 -3.112 44 HB3 LYS 6 HB3 LYS 6 10.156 -1.372 -2.748 45 HG2 LYS 6 HG2 LYS 6 9.256 -1.861 -5.021 46 HG3 LYS 6 HG3 LYS 6 9.328 -0.132 -5.362 47 HD2 LYS 6 HD2 LYS 6 11.303 -1.148 -6.248 48 HD3 LYS 6 HD3 LYS 6 11.765 -0.203 -4.832 49 HE2 LYS 6 HE2 LYS 6 11.839 -2.210 -3.481 50 HE3 LYS 6 HE3 LYS 6 11.269 -3.177 -4.840 51 HZ1 LYS 6 HZ1 LYS 6 13.290 -2.656 -6.027 52 HZ2 LYS 6 HZ2 LYS 6 13.663 -3.345 -4.529 53 HZ3 LYS 6 HZ3 LYS 6 13.828 -1.679 -4.756 54 H CYS 7 H CYS 7 7.823 -2.130 -0.792 55 HA CYS 7 HA CYS 7 6.882 -0.072 0.942 56 HB2 CYS 7 HB2 CYS 7 6.121 -2.380 1.232 57 HB3 CYS 7 HB3 CYS 7 7.763 -2.882 1.627 58 H LYS 8 H LYS 8 8.338 1.510 1.423 59 HA LYS 8 HA LYS 8 10.965 0.781 2.415 60 HB2 LYS 8 HB2 LYS 8 9.668 3.513 2.355 61 HB3 LYS 8 HB3 LYS 8 11.379 3.150 2.510 62 HG2 LYS 8 HG2 LYS 8 9.707 2.604 0.065 63 HG3 LYS 8 HG3 LYS 8 10.773 3.991 0.280 64 HD2 LYS 8 HD2 LYS 8 11.864 1.226 0.585 65 HD3 LYS 8 HD3 LYS 8 11.590 1.881 -1.027 66 HE2 LYS 8 HE2 LYS 8 13.873 2.292 -0.384 67 HE3 LYS 8 HE3 LYS 8 13.005 3.822 -0.439 68 HZ1 LYS 8 HZ1 LYS 8 14.467 3.601 1.501 69 HZ2 LYS 8 HZ2 LYS 8 13.551 2.291 2.042 70 HZ3 LYS 8 HZ3 LYS 8 12.854 3.827 1.937 71 H HIS 9 H HIS 9 7.868 2.031 3.437 72 HA HIS 9 HA HIS 9 8.346 1.177 6.175 73 HB2 HIS 9 HB2 HIS 9 7.477 4.012 5.527 74 HB3 HIS 9 HB3 HIS 9 7.608 3.317 7.138 75 HD1 HIS 9 HD1 HIS 9 9.681 4.559 4.288 76 HD2 HIS 9 HD2 HIS 9 10.193 3.228 8.188 77 HE1 HIS 9 HE1 HIS 9 12.096 4.902 4.788 78 HE2 HIS 9 HE2 HIS 9 12.421 4.014 7.129 79 H SER 10 H SER 10 6.480 0.534 7.168 80 HA SER 10 HA SER 10 4.396 -0.272 5.473 81 HB2 SER 10 HB2 SER 10 3.283 -0.869 7.729 82 HB3 SER 10 HB3 SER 10 4.802 -1.663 7.310 83 HG SER 10 HG SER 10 5.618 -0.832 9.041 84 H GLY 11 H GLY 11 4.753 2.558 7.492 85 HA2 GLY 11 HA2 GLY 11 1.983 3.321 7.318 86 HA3 GLY 11 HA3 GLY 11 3.310 4.327 7.885 87 H GLN 12 H GLN 12 4.893 3.924 5.476 88 HA GLN 12 HA GLN 12 3.920 6.105 3.961 89 HB2 GLN 12 HB2 GLN 12 6.227 4.226 3.762 90 HB3 GLN 12 HB3 GLN 12 5.818 5.214 2.376 91 HG2 GLN 12 HG2 GLN 12 6.051 7.223 3.757 92 HG3 GLN 12 HG3 GLN 12 6.476 6.206 5.129 93 HE21 GLN 12 HE21 GLN 12 7.583 5.545 1.860 94 HE22 GLN 12 HE22 GLN 12 9.240 5.938 2.151 95 H CYS 13 H CYS 13 3.224 2.786 3.859 96 HA CYS 13 HA CYS 13 2.872 2.590 1.022 97 HB2 CYS 13 HB2 CYS 13 2.172 0.765 3.313 98 HB3 CYS 13 HB3 CYS 13 1.769 0.384 1.642 99 H LEU 14 H LEU 14 0.979 3.794 3.581 100 HA LEU 14 HA LEU 14 -1.587 3.226 2.441 101 HB2 LEU 14 HB2 LEU 14 -0.569 4.858 4.707 102 HB3 LEU 14 HB3 LEU 14 -2.169 5.213 4.091 103 HG LEU 14 HG LEU 14 -2.827 2.861 4.511 104 HD11 LEU 14 HD11 LEU 14 -1.449 1.304 5.516 105 HD12 LEU 14 HD12 LEU 14 -0.309 2.522 6.085 106 HD13 LEU 14 HD13 LEU 14 -0.365 2.096 4.375 107 HD21 LEU 14 HD21 LEU 14 -3.237 4.622 6.173 108 HD22 LEU 14 HD22 LEU 14 -1.686 4.255 6.928 109 HD23 LEU 14 HD23 LEU 14 -2.971 3.047 6.918 110 H LYS 15 H LYS 15 0.645 5.907 2.353 111 HA LYS 15 HA LYS 15 -0.977 7.918 1.386 112 HB2 LYS 15 HB2 LYS 15 1.948 7.381 1.167 113 HB3 LYS 15 HB3 LYS 15 1.256 8.693 0.224 114 HG2 LYS 15 HG2 LYS 15 2.156 9.497 2.335 115 HG3 LYS 15 HG3 LYS 15 0.411 9.727 2.258 116 HD2 LYS 15 HD2 LYS 15 0.145 7.631 3.580 117 HD3 LYS 15 HD3 LYS 15 1.899 7.580 3.761 118 HE2 LYS 15 HE2 LYS 15 0.883 8.575 5.723 119 HE3 LYS 15 HE3 LYS 15 1.838 9.776 4.856 120 HZ1 LYS 15 HZ1 LYS 15 -0.296 10.662 5.586 121 HZ2 LYS 15 HZ2 LYS 15 -1.117 9.489 4.689 122 HZ3 LYS 15 HZ3 LYS 15 -0.190 10.661 3.899 123 HA PRO 16 HA PRO 16 -0.303 6.677 -3.154 124 HB2 PRO 16 HB2 PRO 16 0.993 4.411 -3.813 125 HB3 PRO 16 HB3 PRO 16 1.848 5.929 -3.519 126 HG2 PRO 16 HG2 PRO 16 1.494 3.570 -1.717 127 HG3 PRO 16 HG3 PRO 16 2.929 4.577 -1.979 128 HD2 PRO 16 HD2 PRO 16 1.236 4.847 0.160 129 HD3 PRO 16 HD3 PRO 16 2.236 6.162 -0.486 130 H CYS 17 H CYS 17 -1.068 4.397 -0.732 131 HA CYS 17 HA CYS 17 -2.417 2.490 -2.380 132 HB2 CYS 17 HB2 CYS 17 -1.380 1.955 -0.179 133 HB3 CYS 17 HB3 CYS 17 -2.639 2.908 0.600 134 H LYS 18 H LYS 18 -3.399 5.245 -0.398 135 HA LYS 18 HA LYS 18 -6.184 4.796 -0.665 136 HB2 LYS 18 HB2 LYS 18 -6.442 7.047 0.198 137 HB3 LYS 18 HB3 LYS 18 -5.203 6.203 1.108 138 HG2 LYS 18 HG2 LYS 18 -4.064 8.113 0.818 139 HG3 LYS 18 HG3 LYS 18 -3.684 7.402 -0.753 140 HD2 LYS 18 HD2 LYS 18 -4.384 9.577 -1.264 141 HD3 LYS 18 HD3 LYS 18 -5.797 8.580 -1.594 142 HE2 LYS 18 HE2 LYS 18 -5.360 10.064 0.994 143 HE3 LYS 18 HE3 LYS 18 -6.256 10.726 -0.369 144 HZ1 LYS 18 HZ1 LYS 18 -6.955 8.315 1.218 145 HZ2 LYS 18 HZ2 LYS 18 -7.767 8.793 -0.184 146 HZ3 LYS 18 HZ3 LYS 18 -7.782 9.787 1.184 147 H LYS 19 H LYS 19 -3.795 5.964 -2.791 148 HA LYS 19 HA LYS 19 -5.656 7.396 -4.500 149 HB2 LYS 19 HB2 LYS 19 -2.791 6.625 -5.084 150 HB3 LYS 19 HB3 LYS 19 -3.759 7.809 -5.946 151 HG2 LYS 19 HG2 LYS 19 -3.881 9.046 -3.702 152 HG3 LYS 19 HG3 LYS 19 -2.549 8.001 -3.217 153 HD2 LYS 19 HD2 LYS 19 -2.558 9.876 -5.586 154 HD3 LYS 19 HD3 LYS 19 -1.744 10.160 -4.050 155 HE2 LYS 19 HE2 LYS 19 -0.024 9.405 -5.399 156 HE3 LYS 19 HE3 LYS 19 -0.520 7.937 -4.567 157 HZ1 LYS 19 HZ1 LYS 19 -0.186 7.576 -6.941 158 HZ2 LYS 19 HZ2 LYS 19 -1.375 8.720 -7.299 159 HZ3 LYS 19 HZ3 LYS 19 -1.792 7.292 -6.506 160 H ALA 20 H ALA 20 -4.618 4.268 -3.929 161 HA ALA 20 HA ALA 20 -5.113 3.252 -6.605 162 HB1 ALA 20 HB1 ALA 20 -4.431 1.856 -4.020 163 HB2 ALA 20 HB2 ALA 20 -3.319 2.248 -5.335 164 HB3 ALA 20 HB3 ALA 20 -4.596 1.057 -5.586 165 H GLY 21 H GLY 21 -6.935 4.145 -3.986 166 HA2 GLY 21 HA2 GLY 21 -9.230 3.986 -3.700 167 HA3 GLY 21 HA3 GLY 21 -9.281 2.808 -5.004 168 H MET 22 H MET 22 -6.964 2.216 -2.561 169 HA MET 22 HA MET 22 -8.599 -0.026 -1.639 170 HB2 MET 22 HB2 MET 22 -5.643 0.466 -1.251 171 HB3 MET 22 HB3 MET 22 -6.521 -0.970 -0.764 172 HG2 MET 22 HG2 MET 22 -6.158 -0.019 -3.590 173 HG3 MET 22 HG3 MET 22 -5.275 -1.326 -2.808 174 HE1 MET 22 HE1 MET 22 -6.794 -1.659 -5.591 175 HE2 MET 22 HE2 MET 22 -7.535 -3.240 -5.349 176 HE3 MET 22 HE3 MET 22 -5.889 -2.945 -4.792 177 H ARG 23 H ARG 23 -7.798 -0.628 0.773 178 HA ARG 23 HA ARG 23 -8.816 1.641 2.295 179 HB2 ARG 23 HB2 ARG 23 -9.834 -0.644 2.473 180 HB3 ARG 23 HB3 ARG 23 -8.346 -1.194 3.220 181 HG2 ARG 23 HG2 ARG 23 -8.754 -0.086 5.173 182 HG3 ARG 23 HG3 ARG 23 -9.768 1.131 4.397 183 HD2 ARG 23 HD2 ARG 23 -10.920 -0.621 5.873 184 HD3 ARG 23 HD3 ARG 23 -11.610 -0.300 4.285 185 HE ARG 23 HE ARG 23 -10.297 -2.347 3.569 186 HH11 ARG 23 HH11 ARG 23 -11.500 -1.949 6.838 187 HH12 ARG 23 HH12 ARG 23 -11.694 -3.651 7.099 188 HH21 ARG 23 HH21 ARG 23 -10.574 -4.561 3.907 189 HH22 ARG 23 HH22 ARG 23 -11.170 -5.137 5.434 190 H PHE 24 H PHE 24 -6.387 -0.851 3.105 191 HA PHE 24 HA PHE 24 -4.588 1.323 3.943 192 HB2 PHE 24 HB2 PHE 24 -4.023 -1.211 5.251 193 HB3 PHE 24 HB3 PHE 24 -4.195 0.388 5.955 194 HD1 PHE 24 HD1 PHE 24 -5.939 -2.630 4.920 195 HD2 PHE 24 HD2 PHE 24 -6.213 1.003 7.087 196 HE1 PHE 24 HE1 PHE 24 -8.027 -3.408 5.902 197 HE2 PHE 24 HE2 PHE 24 -8.320 0.235 8.108 198 HZ PHE 24 HZ PHE 24 -9.232 -1.980 7.524 199 H GLY 25 H GLY 25 -2.290 0.520 4.052 200 HA2 GLY 25 HA2 GLY 25 -1.741 -1.426 1.919 201 HA3 GLY 25 HA3 GLY 25 -0.834 0.073 2.067 202 H LYS 26 H LYS 26 -0.923 -3.169 2.883 203 HA LYS 26 HA LYS 26 0.643 -2.861 5.320 204 HB2 LYS 26 HB2 LYS 26 0.416 -5.241 5.584 205 HB3 LYS 26 HB3 LYS 26 -1.158 -4.583 5.170 206 HG2 LYS 26 HG2 LYS 26 -0.682 -5.262 2.789 207 HG3 LYS 26 HG3 LYS 26 0.716 -6.138 3.411 208 HD2 LYS 26 HD2 LYS 26 -2.161 -6.577 4.200 209 HD3 LYS 26 HD3 LYS 26 -1.195 -7.625 3.162 210 HE2 LYS 26 HE2 LYS 26 0.308 -8.102 5.008 211 HE3 LYS 26 HE3 LYS 26 -0.591 -7.000 6.050 212 HZ1 LYS 26 HZ1 LYS 26 -1.237 -9.267 6.470 213 HZ2 LYS 26 HZ2 LYS 26 -1.627 -9.503 4.842 214 HZ3 LYS 26 HZ3 LYS 26 -2.538 -8.431 5.779 215 H CYS 27 H CYS 27 2.709 -3.976 5.531 216 HA CYS 27 HA CYS 27 4.310 -3.436 3.185 217 HB2 CYS 27 HB2 CYS 27 4.958 -2.803 5.574 218 HB3 CYS 27 HB3 CYS 27 5.313 -4.512 5.815 219 H ILE 28 H ILE 28 4.583 -4.915 1.698 220 HA ILE 28 HA ILE 28 4.576 -7.738 2.478 221 HB ILE 28 HB ILE 28 3.243 -6.406 0.413 222 HG12 ILE 28 HG12 ILE 28 2.457 -8.650 -0.193 223 HG13 ILE 28 HG13 ILE 28 3.762 -9.363 0.750 224 HG21 ILE 28 HG21 ILE 28 5.441 -8.105 -0.740 225 HG22 ILE 28 HG22 ILE 28 5.207 -6.371 -0.978 226 HG23 ILE 28 HG23 ILE 28 4.035 -7.516 -1.631 227 HD11 ILE 28 HD11 ILE 28 1.628 -7.595 1.907 228 HD12 ILE 28 HD12 ILE 28 2.822 -8.548 2.783 229 HD13 ILE 28 HD13 ILE 28 1.547 -9.355 1.872 230 H ASN 29 H ASN 29 6.061 -9.040 0.826 231 HA ASN 29 HA ASN 29 8.497 -8.959 1.965 232 HB2 ASN 29 HB2 ASN 29 7.764 -9.893 -0.793 233 HB3 ASN 29 HB3 ASN 29 9.372 -10.133 -0.126 234 HD21 ASN 29 HD21 ASN 29 6.736 -10.220 2.087 235 HD22 ASN 29 HD22 ASN 29 6.665 -11.934 2.266 236 H GLY 30 H GLY 30 7.772 -7.302 -1.085 237 HA2 GLY 30 HA2 GLY 30 9.946 -5.451 -0.398 238 HA3 GLY 30 HA3 GLY 30 9.918 -6.159 -2.004 239 H LYS 31 H LYS 31 6.770 -5.740 -0.993 240 HA LYS 31 HA LYS 31 6.630 -3.203 -2.487 241 HB2 LYS 31 HB2 LYS 31 4.948 -5.667 -2.899 242 HB3 LYS 31 HB3 LYS 31 4.465 -4.082 -3.479 243 HG2 LYS 31 HG2 LYS 31 6.569 -3.990 -4.796 244 HG3 LYS 31 HG3 LYS 31 6.894 -5.653 -4.300 245 HD2 LYS 31 HD2 LYS 31 4.783 -6.364 -5.324 246 HD3 LYS 31 HD3 LYS 31 4.469 -4.703 -5.825 247 HE2 LYS 31 HE2 LYS 31 6.522 -4.751 -7.183 248 HE3 LYS 31 HE3 LYS 31 6.778 -6.431 -6.712 249 HZ1 LYS 31 HZ1 LYS 31 4.650 -6.984 -7.755 250 HZ2 LYS 31 HZ2 LYS 31 5.732 -6.314 -8.866 251 HZ3 LYS 31 HZ3 LYS 31 4.466 -5.378 -8.252 252 H CYS 32 H CYS 32 4.585 -2.038 -2.223 253 HA CYS 32 HA CYS 32 3.431 -2.361 0.432 254 HB2 CYS 32 HB2 CYS 32 2.972 -0.286 -1.726 255 HB3 CYS 32 HB3 CYS 32 2.152 -0.294 -0.170 256 H ASP 33 H ASP 33 2.085 -4.031 0.479 257 HA ASP 33 HA ASP 33 0.297 -4.513 -1.794 258 HB2 ASP 33 HB2 ASP 33 1.654 -6.386 -0.777 259 HB3 ASP 33 HB3 ASP 33 0.657 -6.224 0.663 260 H CYS 34 H CYS 34 -1.723 -3.805 -1.729 261 HA CYS 34 HA CYS 34 -2.612 -2.525 0.706 262 HB2 CYS 34 HB2 CYS 34 -3.615 -2.455 -2.118 263 HB3 CYS 34 HB3 CYS 34 -4.473 -1.692 -0.791 264 H THR 35 H THR 35 -4.598 -2.788 1.662 265 HA THR 35 HA THR 35 -5.998 -5.300 1.005 266 HB THR 35 HB THR 35 -5.937 -3.671 3.537 267 HG1 THR 35 HG1 THR 35 -4.437 -5.684 2.634 268 HG21 THR 35 HG21 THR 35 -8.191 -4.645 3.031 269 HG22 THR 35 HG22 THR 35 -7.448 -5.229 4.526 270 HG23 THR 35 HG23 THR 35 -7.435 -6.243 3.083 271 HA PRO 36 HA PRO 36 -9.058 -2.435 -0.630 272 HB2 PRO 36 HB2 PRO 36 -10.603 -4.896 -1.107 273 HB3 PRO 36 HB3 PRO 36 -10.020 -3.703 -2.258 274 HG2 PRO 36 HG2 PRO 36 -8.942 -6.134 -2.141 275 HG3 PRO 36 HG3 PRO 36 -7.948 -4.698 -2.461 276 HD2 PRO 36 HD2 PRO 36 -8.356 -6.176 0.109 277 HD3 PRO 36 HD3 PRO 36 -6.837 -5.613 -0.621 278 H LYS 37 H LYS 37 -11.566 -2.458 -0.454 279 HA LYS 37 HA LYS 37 -12.260 -2.279 2.298 280 HB2 LYS 37 HB2 LYS 37 -13.968 -2.118 -0.194 281 HB3 LYS 37 HB3 LYS 37 -14.536 -1.747 1.425 282 HG2 LYS 37 HG2 LYS 37 -13.000 0.110 1.582 283 HG3 LYS 37 HG3 LYS 37 -12.312 -0.297 0.008 284 HD2 LYS 37 HD2 LYS 37 -14.483 0.107 -1.046 285 HD3 LYS 37 HD3 LYS 37 -15.172 0.514 0.526 286 HE2 LYS 37 HE2 LYS 37 -12.900 1.986 -0.802 287 HE3 LYS 37 HE3 LYS 37 -14.586 2.498 -0.831 288 HZ1 LYS 37 HZ1 LYS 37 -13.364 3.661 0.876 289 HZ2 LYS 37 HZ2 LYS 37 -12.894 2.205 1.593 290 HZ3 LYS 37 HZ3 LYS 37 -14.526 2.658 1.589 Start of MODEL 12 1 H1 VAL 1 H1 VAL 1 -4.136 -8.583 -5.419 2 H2 VAL 1 H2 VAL 1 -3.723 -8.191 -7.010 3 H3 VAL 1 H3 VAL 1 -5.347 -8.273 -6.556 4 HA VAL 1 HA VAL 1 -4.622 -5.997 -6.759 5 HB VAL 1 HB VAL 1 -5.319 -5.159 -4.589 6 HG11 VAL 1 HG11 VAL 1 -7.491 -6.195 -4.495 7 HG12 VAL 1 HG12 VAL 1 -6.895 -7.611 -5.354 8 HG13 VAL 1 HG13 VAL 1 -6.985 -6.053 -6.176 9 HG21 VAL 1 HG21 VAL 1 -4.010 -6.733 -3.228 10 HG22 VAL 1 HG22 VAL 1 -5.152 -8.012 -3.635 11 HG23 VAL 1 HG23 VAL 1 -5.687 -6.615 -2.701 12 H GLY 2 H GLY 2 -3.457 -4.229 -5.575 13 HA2 GLY 2 HA2 GLY 2 -1.508 -4.128 -3.837 14 HA3 GLY 2 HA3 GLY 2 -0.706 -5.101 -5.065 15 H ILE 3 H ILE 3 0.310 -2.615 -4.300 16 HA ILE 3 HA ILE 3 -0.363 -0.971 -6.647 17 HB ILE 3 HB ILE 3 0.501 0.978 -5.331 18 HG12 ILE 3 HG12 ILE 3 0.297 -0.971 -3.025 19 HG13 ILE 3 HG13 ILE 3 1.782 -0.255 -3.645 20 HG21 ILE 3 HG21 ILE 3 -1.555 1.205 -3.957 21 HG22 ILE 3 HG22 ILE 3 -1.930 -0.479 -4.323 22 HG23 ILE 3 HG23 ILE 3 -1.853 0.709 -5.623 23 HD11 ILE 3 HD11 ILE 3 0.990 1.953 -2.982 24 HD12 ILE 3 HD12 ILE 3 1.056 0.848 -1.611 25 HD13 ILE 3 HD13 ILE 3 -0.493 1.235 -2.359 26 H ASN 4 H ASN 4 1.338 0.130 -7.657 27 HA ASN 4 HA ASN 4 3.787 -1.367 -7.762 28 HB2 ASN 4 HB2 ASN 4 2.664 -0.381 -9.778 29 HB3 ASN 4 HB3 ASN 4 3.078 1.217 -9.176 30 HD21 ASN 4 HD21 ASN 4 5.695 0.794 -8.308 31 HD22 ASN 4 HD22 ASN 4 6.678 0.424 -9.692 32 H VAL 5 H VAL 5 4.175 -0.891 -5.440 33 HA VAL 5 HA VAL 5 6.025 1.357 -5.248 34 HB VAL 5 HB VAL 5 4.014 0.848 -3.056 35 HG11 VAL 5 HG11 VAL 5 4.769 3.042 -2.261 36 HG12 VAL 5 HG12 VAL 5 5.988 3.061 -3.532 37 HG13 VAL 5 HG13 VAL 5 6.045 1.829 -2.269 38 HG21 VAL 5 HG21 VAL 5 2.795 2.799 -3.691 39 HG22 VAL 5 HG22 VAL 5 2.868 1.714 -5.080 40 HG23 VAL 5 HG23 VAL 5 3.918 3.130 -5.011 41 H LYS 6 H LYS 6 7.834 0.765 -4.136 42 HA LYS 6 HA LYS 6 7.904 -1.894 -2.958 43 HB2 LYS 6 HB2 LYS 6 10.122 0.152 -3.209 44 HB3 LYS 6 HB3 LYS 6 10.308 -1.538 -2.762 45 HG2 LYS 6 HG2 LYS 6 9.432 -2.164 -5.003 46 HG3 LYS 6 HG3 LYS 6 9.439 -0.454 -5.431 47 HD2 LYS 6 HD2 LYS 6 11.453 -1.370 -6.283 48 HD3 LYS 6 HD3 LYS 6 11.893 -0.438 -4.853 49 HE2 LYS 6 HE2 LYS 6 13.079 -2.547 -4.857 50 HE3 LYS 6 HE3 LYS 6 11.915 -2.519 -3.534 51 HZ1 LYS 6 HZ1 LYS 6 11.915 -4.633 -4.735 52 HZ2 LYS 6 HZ2 LYS 6 11.477 -3.836 -6.158 53 HZ3 LYS 6 HZ3 LYS 6 10.417 -3.860 -4.843 54 H CYS 7 H CYS 7 8.023 -2.294 -0.777 55 HA CYS 7 HA CYS 7 7.076 -0.184 0.897 56 HB2 CYS 7 HB2 CYS 7 6.300 -2.455 1.304 57 HB3 CYS 7 HB3 CYS 7 7.948 -2.975 1.655 58 H LYS 8 H LYS 8 8.771 1.372 0.872 59 HA LYS 8 HA LYS 8 11.247 0.700 2.203 60 HB2 LYS 8 HB2 LYS 8 10.035 3.402 1.563 61 HB3 LYS 8 HB3 LYS 8 11.679 3.127 2.118 62 HG2 LYS 8 HG2 LYS 8 10.537 2.081 -0.465 63 HG3 LYS 8 HG3 LYS 8 11.517 3.537 -0.309 64 HD2 LYS 8 HD2 LYS 8 13.395 2.231 0.484 65 HD3 LYS 8 HD3 LYS 8 12.415 0.763 0.467 66 HE2 LYS 8 HE2 LYS 8 13.880 0.903 -1.493 67 HE3 LYS 8 HE3 LYS 8 12.176 0.919 -1.944 68 HZ1 LYS 8 HZ1 LYS 8 13.959 3.289 -1.783 69 HZ2 LYS 8 HZ2 LYS 8 12.317 3.330 -2.179 70 HZ3 LYS 8 HZ3 LYS 8 13.412 2.549 -3.202 71 H HIS 9 H HIS 9 8.129 2.036 2.901 72 HA HIS 9 HA HIS 9 8.498 1.601 5.755 73 HB2 HIS 9 HB2 HIS 9 7.355 4.224 4.755 74 HB3 HIS 9 HB3 HIS 9 7.735 3.784 6.413 75 HD1 HIS 9 HD1 HIS 9 9.259 5.101 3.287 76 HD2 HIS 9 HD2 HIS 9 10.471 3.955 7.094 77 HE1 HIS 9 HE1 HIS 9 11.646 5.840 3.484 78 HE2 HIS 9 HE2 HIS 9 12.297 5.305 5.861 79 H SER 10 H SER 10 6.454 1.198 6.791 80 HA SER 10 HA SER 10 4.461 0.148 5.064 81 HB2 SER 10 HB2 SER 10 3.124 -0.052 7.222 82 HB3 SER 10 HB3 SER 10 4.681 -0.878 7.204 83 HG SER 10 HG SER 10 4.963 0.224 8.990 84 H GLY 11 H GLY 11 4.830 3.166 6.818 85 HA2 GLY 11 HA2 GLY 11 2.245 4.196 6.160 86 HA3 GLY 11 HA3 GLY 11 3.617 5.123 6.751 87 H GLN 12 H GLN 12 5.071 3.711 4.365 88 HA GLN 12 HA GLN 12 4.591 5.866 2.487 89 HB2 GLN 12 HB2 GLN 12 6.899 4.959 3.002 90 HB3 GLN 12 HB3 GLN 12 6.431 3.496 2.150 91 HG2 GLN 12 HG2 GLN 12 5.982 4.879 0.151 92 HG3 GLN 12 HG3 GLN 12 6.665 6.258 1.008 93 HE21 GLN 12 HE21 GLN 12 7.296 3.292 -0.619 94 HE22 GLN 12 HE22 GLN 12 9.018 3.438 -0.669 95 H CYS 13 H CYS 13 3.485 2.708 3.052 96 HA CYS 13 HA CYS 13 2.728 2.250 0.284 97 HB2 CYS 13 HB2 CYS 13 2.176 0.586 2.755 98 HB3 CYS 13 HB3 CYS 13 1.876 0.096 1.090 99 H LEU 14 H LEU 14 1.497 3.663 3.111 100 HA LEU 14 HA LEU 14 -1.290 3.228 2.652 101 HB2 LEU 14 HB2 LEU 14 0.182 5.263 4.324 102 HB3 LEU 14 HB3 LEU 14 -1.557 5.074 4.320 103 HG LEU 14 HG LEU 14 0.439 2.992 5.214 104 HD11 LEU 14 HD11 LEU 14 -1.492 4.686 6.791 105 HD12 LEU 14 HD12 LEU 14 0.260 4.872 6.757 106 HD13 LEU 14 HD13 LEU 14 -0.459 3.415 7.443 107 HD21 LEU 14 HD21 LEU 14 -1.471 1.897 4.274 108 HD22 LEU 14 HD22 LEU 14 -2.574 2.971 5.136 109 HD23 LEU 14 HD23 LEU 14 -1.595 1.808 6.032 110 H LYS 15 H LYS 15 0.870 5.983 2.184 111 HA LYS 15 HA LYS 15 -0.955 7.855 1.328 112 HB2 LYS 15 HB2 LYS 15 1.940 7.568 0.530 113 HB3 LYS 15 HB3 LYS 15 0.969 9.005 0.251 114 HG2 LYS 15 HG2 LYS 15 0.715 9.360 2.610 115 HG3 LYS 15 HG3 LYS 15 1.515 7.827 2.966 116 HD2 LYS 15 HD2 LYS 15 3.584 8.661 1.998 117 HD3 LYS 15 HD3 LYS 15 2.791 10.178 1.567 118 HE2 LYS 15 HE2 LYS 15 4.134 10.400 3.604 119 HE3 LYS 15 HE3 LYS 15 2.422 10.676 3.916 120 HZ1 LYS 15 HZ1 LYS 15 3.830 8.114 4.435 121 HZ2 LYS 15 HZ2 LYS 15 2.233 8.488 4.846 122 HZ3 LYS 15 HZ3 LYS 15 3.512 9.285 5.607 123 HA PRO 16 HA PRO 16 -0.439 6.624 -3.271 124 HB2 PRO 16 HB2 PRO 16 0.749 4.264 -3.892 125 HB3 PRO 16 HB3 PRO 16 1.631 5.789 -3.777 126 HG2 PRO 16 HG2 PRO 16 1.438 3.561 -1.804 127 HG3 PRO 16 HG3 PRO 16 2.831 4.564 -2.234 128 HD2 PRO 16 HD2 PRO 16 1.327 4.947 0.011 129 HD3 PRO 16 HD3 PRO 16 2.222 6.240 -0.810 130 H CYS 17 H CYS 17 -1.223 4.411 -0.766 131 HA CYS 17 HA CYS 17 -2.694 2.567 -2.413 132 HB2 CYS 17 HB2 CYS 17 -1.549 1.980 -0.236 133 HB3 CYS 17 HB3 CYS 17 -2.846 2.839 0.586 134 H LYS 18 H LYS 18 -3.488 5.295 -0.300 135 HA LYS 18 HA LYS 18 -6.304 5.011 -0.553 136 HB2 LYS 18 HB2 LYS 18 -6.382 7.348 0.253 137 HB3 LYS 18 HB3 LYS 18 -5.354 6.331 1.250 138 HG2 LYS 18 HG2 LYS 18 -3.383 7.230 0.227 139 HG3 LYS 18 HG3 LYS 18 -4.357 8.154 -0.919 140 HD2 LYS 18 HD2 LYS 18 -5.288 9.460 0.925 141 HD3 LYS 18 HD3 LYS 18 -4.353 8.511 2.082 142 HE2 LYS 18 HE2 LYS 18 -2.281 9.297 1.006 143 HE3 LYS 18 HE3 LYS 18 -3.243 10.284 -0.090 144 HZ1 LYS 18 HZ1 LYS 18 -3.221 10.569 2.863 145 HZ2 LYS 18 HZ2 LYS 18 -4.039 11.560 1.765 146 HZ3 LYS 18 HZ3 LYS 18 -2.349 11.543 1.790 147 H LYS 19 H LYS 19 -3.826 6.202 -2.589 148 HA LYS 19 HA LYS 19 -5.589 7.720 -4.325 149 HB2 LYS 19 HB2 LYS 19 -2.695 6.881 -4.621 150 HB3 LYS 19 HB3 LYS 19 -3.555 7.901 -5.764 151 HG2 LYS 19 HG2 LYS 19 -3.801 9.630 -4.114 152 HG3 LYS 19 HG3 LYS 19 -3.108 8.590 -2.868 153 HD2 LYS 19 HD2 LYS 19 -0.982 8.570 -3.998 154 HD3 LYS 19 HD3 LYS 19 -1.656 9.460 -5.362 155 HE2 LYS 19 HE2 LYS 19 -1.522 10.527 -2.549 156 HE3 LYS 19 HE3 LYS 19 -0.300 10.839 -3.781 157 HZ1 LYS 19 HZ1 LYS 19 -2.025 11.859 -5.154 158 HZ2 LYS 19 HZ2 LYS 19 -1.864 12.650 -3.670 159 HZ3 LYS 19 HZ3 LYS 19 -3.166 11.604 -3.930 160 H ALA 20 H ALA 20 -4.729 4.556 -3.770 161 HA ALA 20 HA ALA 20 -5.292 3.603 -6.472 162 HB1 ALA 20 HB1 ALA 20 -4.558 2.128 -3.940 163 HB2 ALA 20 HB2 ALA 20 -3.471 2.534 -5.273 164 HB3 ALA 20 HB3 ALA 20 -4.781 1.379 -5.525 165 H GLY 21 H GLY 21 -6.888 4.321 -3.592 166 HA2 GLY 21 HA2 GLY 21 -9.173 4.249 -3.184 167 HA3 GLY 21 HA3 GLY 21 -9.368 3.230 -4.603 168 H MET 22 H MET 22 -6.937 2.261 -2.385 169 HA MET 22 HA MET 22 -8.641 0.017 -1.617 170 HB2 MET 22 HB2 MET 22 -5.647 0.362 -1.513 171 HB3 MET 22 HB3 MET 22 -6.484 -1.010 -0.816 172 HG2 MET 22 HG2 MET 22 -6.475 -0.213 -3.710 173 HG3 MET 22 HG3 MET 22 -5.638 -1.582 -2.981 174 HE1 MET 22 HE1 MET 22 -8.455 -3.285 -5.109 175 HE2 MET 22 HE2 MET 22 -6.722 -3.198 -4.794 176 HE3 MET 22 HE3 MET 22 -7.559 -1.821 -5.512 177 H ARG 23 H ARG 23 -8.037 -0.890 0.663 178 HA ARG 23 HA ARG 23 -9.025 1.169 2.405 179 HB2 ARG 23 HB2 ARG 23 -9.822 -1.208 2.417 180 HB3 ARG 23 HB3 ARG 23 -8.277 -1.666 3.107 181 HG2 ARG 23 HG2 ARG 23 -8.758 -0.765 5.140 182 HG3 ARG 23 HG3 ARG 23 -9.864 0.432 4.468 183 HD2 ARG 23 HD2 ARG 23 -10.853 -1.529 5.812 184 HD3 ARG 23 HD3 ARG 23 -11.608 -1.100 4.279 185 HE ARG 23 HE ARG 23 -10.090 -2.980 3.384 186 HH11 ARG 23 HH11 ARG 23 -11.600 -2.961 6.546 187 HH12 ARG 23 HH12 ARG 23 -11.728 -4.689 6.624 188 HH21 ARG 23 HH21 ARG 23 -10.282 -5.234 3.476 189 HH22 ARG 23 HH22 ARG 23 -10.973 -5.986 4.880 190 H PHE 24 H PHE 24 -6.347 -1.131 2.973 191 HA PHE 24 HA PHE 24 -4.727 1.153 3.875 192 HB2 PHE 24 HB2 PHE 24 -3.927 -1.356 5.105 193 HB3 PHE 24 HB3 PHE 24 -4.213 0.208 5.852 194 HD1 PHE 24 HD1 PHE 24 -5.720 -2.928 4.803 195 HD2 PHE 24 HD2 PHE 24 -6.265 0.648 7.011 196 HE1 PHE 24 HE1 PHE 24 -7.739 -3.875 5.789 197 HE2 PHE 24 HE2 PHE 24 -8.291 -0.298 8.041 198 HZ PHE 24 HZ PHE 24 -9.034 -2.567 7.436 199 H GLY 25 H GLY 25 -2.518 0.944 3.505 200 HA2 GLY 25 HA2 GLY 25 -1.726 -1.119 1.574 201 HA3 GLY 25 HA3 GLY 25 -0.979 0.471 1.701 202 H LYS 26 H LYS 26 -1.007 -2.752 2.849 203 HA LYS 26 HA LYS 26 0.625 -2.129 5.179 204 HB2 LYS 26 HB2 LYS 26 0.402 -4.514 5.718 205 HB3 LYS 26 HB3 LYS 26 -1.162 -3.751 5.481 206 HG2 LYS 26 HG2 LYS 26 -1.307 -4.724 3.248 207 HG3 LYS 26 HG3 LYS 26 0.276 -5.477 3.475 208 HD2 LYS 26 HD2 LYS 26 -0.585 -6.762 5.349 209 HD3 LYS 26 HD3 LYS 26 -2.157 -5.979 5.188 210 HE2 LYS 26 HE2 LYS 26 -0.843 -7.735 3.117 211 HE3 LYS 26 HE3 LYS 26 -2.132 -8.229 4.211 212 HZ1 LYS 26 HZ1 LYS 26 -3.256 -7.706 2.289 213 HZ2 LYS 26 HZ2 LYS 26 -2.251 -6.408 1.896 214 HZ3 LYS 26 HZ3 LYS 26 -3.393 -6.251 3.146 215 H CYS 27 H CYS 27 2.602 -3.389 5.563 216 HA CYS 27 HA CYS 27 4.235 -3.273 3.185 217 HB2 CYS 27 HB2 CYS 27 4.975 -2.375 5.428 218 HB3 CYS 27 HB3 CYS 27 5.109 -4.047 5.968 219 H ILE 28 H ILE 28 4.529 -4.928 1.930 220 HA ILE 28 HA ILE 28 4.218 -7.630 3.028 221 HB ILE 28 HB ILE 28 2.776 -6.504 1.031 222 HG12 ILE 28 HG12 ILE 28 2.078 -8.757 0.434 223 HG13 ILE 28 HG13 ILE 28 3.512 -9.426 1.212 224 HG21 ILE 28 HG21 ILE 28 4.977 -8.007 -0.361 225 HG22 ILE 28 HG22 ILE 28 4.632 -6.283 -0.490 226 HG23 ILE 28 HG23 ILE 28 3.474 -7.460 -1.107 227 HD11 ILE 28 HD11 ILE 28 1.557 -7.748 2.750 228 HD12 ILE 28 HD12 ILE 28 2.724 -8.936 3.343 229 HD13 ILE 28 HD13 ILE 28 1.283 -9.473 2.482 230 H ASN 29 H ASN 29 5.496 -9.189 1.325 231 HA ASN 29 HA ASN 29 8.163 -9.033 1.924 232 HB2 ASN 29 HB2 ASN 29 6.963 -10.278 -0.556 233 HB3 ASN 29 HB3 ASN 29 8.558 -10.634 0.096 234 HD21 ASN 29 HD21 ASN 29 5.174 -11.177 0.353 235 HD22 ASN 29 HD22 ASN 29 5.240 -12.362 1.613 236 H GLY 30 H GLY 30 8.936 -6.958 1.666 237 HA2 GLY 30 HA2 GLY 30 10.267 -5.412 0.627 238 HA3 GLY 30 HA3 GLY 30 10.258 -6.435 -0.799 239 H LYS 31 H LYS 31 7.074 -5.982 -0.239 240 HA LYS 31 HA LYS 31 7.066 -3.715 -2.128 241 HB2 LYS 31 HB2 LYS 31 6.850 -5.893 -3.262 242 HB3 LYS 31 HB3 LYS 31 5.432 -6.247 -2.293 243 HG2 LYS 31 HG2 LYS 31 4.151 -4.594 -3.384 244 HG3 LYS 31 HG3 LYS 31 5.581 -3.885 -4.141 245 HD2 LYS 31 HD2 LYS 31 4.298 -5.240 -5.731 246 HD3 LYS 31 HD3 LYS 31 5.907 -5.906 -5.457 247 HE2 LYS 31 HE2 LYS 31 4.775 -7.395 -3.697 248 HE3 LYS 31 HE3 LYS 31 3.261 -6.912 -4.458 249 HZ1 LYS 31 HZ1 LYS 31 4.220 -7.727 -6.588 250 HZ2 LYS 31 HZ2 LYS 31 3.960 -8.937 -5.437 251 HZ3 LYS 31 HZ3 LYS 31 5.523 -8.358 -5.712 252 H CYS 32 H CYS 32 5.000 -2.592 -2.318 253 HA CYS 32 HA CYS 32 3.595 -2.442 0.227 254 HB2 CYS 32 HB2 CYS 32 3.620 -0.731 -2.246 255 HB3 CYS 32 HB3 CYS 32 2.474 -0.447 -0.947 256 H ASP 33 H ASP 33 2.153 -4.023 0.429 257 HA ASP 33 HA ASP 33 0.361 -4.642 -1.817 258 HB2 ASP 33 HB2 ASP 33 1.434 -6.562 -0.802 259 HB3 ASP 33 HB3 ASP 33 0.855 -6.092 0.790 260 H CYS 34 H CYS 34 -1.688 -3.989 -1.815 261 HA CYS 34 HA CYS 34 -2.625 -2.547 0.546 262 HB2 CYS 34 HB2 CYS 34 -3.496 -2.490 -2.322 263 HB3 CYS 34 HB3 CYS 34 -4.468 -1.785 -1.046 264 H THR 35 H THR 35 -4.586 -2.851 1.462 265 HA THR 35 HA THR 35 -5.800 -5.490 0.985 266 HB THR 35 HB THR 35 -6.178 -3.574 3.276 267 HG1 THR 35 HG1 THR 35 -4.800 -4.973 4.423 268 HG21 THR 35 HG21 THR 35 -8.088 -5.066 2.897 269 HG22 THR 35 HG22 THR 35 -7.258 -5.419 4.415 270 HG23 THR 35 HG23 THR 35 -7.006 -6.458 3.011 271 HA PRO 36 HA PRO 36 -9.127 -3.084 -0.910 272 HB2 PRO 36 HB2 PRO 36 -10.325 -5.702 -1.424 273 HB3 PRO 36 HB3 PRO 36 -9.782 -4.483 -2.574 274 HG2 PRO 36 HG2 PRO 36 -8.499 -6.835 -2.245 275 HG3 PRO 36 HG3 PRO 36 -7.652 -5.338 -2.676 276 HD2 PRO 36 HD2 PRO 36 -7.890 -6.676 -0.005 277 HD3 PRO 36 HD3 PRO 36 -6.472 -5.921 -0.766 278 H LYS 37 H LYS 37 -11.488 -3.035 -0.568 279 HA LYS 37 HA LYS 37 -12.135 -3.582 2.202 280 HB2 LYS 37 HB2 LYS 37 -13.799 -2.276 0.040 281 HB3 LYS 37 HB3 LYS 37 -14.184 -2.314 1.753 282 HG2 LYS 37 HG2 LYS 37 -12.219 -0.965 2.239 283 HG3 LYS 37 HG3 LYS 37 -11.798 -0.949 0.525 284 HD2 LYS 37 HD2 LYS 37 -13.945 0.163 0.042 285 HD3 LYS 37 HD3 LYS 37 -14.294 0.202 1.770 286 HE2 LYS 37 HE2 LYS 37 -13.441 2.345 1.089 287 HE3 LYS 37 HE3 LYS 37 -12.247 1.545 2.109 288 HZ1 LYS 37 HZ1 LYS 37 -11.171 2.548 0.226 289 HZ2 LYS 37 HZ2 LYS 37 -12.190 1.741 -0.852 290 HZ3 LYS 37 HZ3 LYS 37 -11.078 0.867 0.069 Start of MODEL 13 1 H1 VAL 1 H1 VAL 1 -5.179 -7.221 -5.616 2 H2 VAL 1 H2 VAL 1 -3.662 -7.569 -4.955 3 H3 VAL 1 H3 VAL 1 -3.774 -6.720 -6.412 4 HA VAL 1 HA VAL 1 -4.748 -4.854 -5.338 5 HB VAL 1 HB VAL 1 -4.834 -4.823 -2.817 6 HG11 VAL 1 HG11 VAL 1 -7.039 -5.806 -2.727 7 HG12 VAL 1 HG12 VAL 1 -6.715 -6.750 -4.181 8 HG13 VAL 1 HG13 VAL 1 -6.828 -4.992 -4.276 9 HG21 VAL 1 HG21 VAL 1 -3.440 -6.859 -2.551 10 HG22 VAL 1 HG22 VAL 1 -4.800 -7.819 -3.132 11 HG23 VAL 1 HG23 VAL 1 -4.944 -6.900 -1.633 12 H GLY 2 H GLY 2 -2.168 -5.846 -6.175 13 HA2 GLY 2 HA2 GLY 2 -0.325 -4.823 -4.153 14 HA3 GLY 2 HA3 GLY 2 0.114 -5.610 -5.665 15 H ILE 3 H ILE 3 0.960 -3.016 -4.432 16 HA ILE 3 HA ILE 3 0.196 -1.288 -6.681 17 HB ILE 3 HB ILE 3 0.729 0.648 -5.181 18 HG12 ILE 3 HG12 ILE 3 0.701 -1.497 -3.044 19 HG13 ILE 3 HG13 ILE 3 2.090 -0.528 -3.524 20 HG21 ILE 3 HG21 ILE 3 -1.410 0.567 -3.984 21 HG22 ILE 3 HG22 ILE 3 -1.521 -1.162 -4.309 22 HG23 ILE 3 HG23 ILE 3 -1.565 -0.011 -5.643 23 HD11 ILE 3 HD11 ILE 3 0.974 1.481 -2.719 24 HD12 ILE 3 HD12 ILE 3 1.120 0.270 -1.445 25 HD13 ILE 3 HD13 ILE 3 -0.428 0.518 -2.251 26 H ASN 4 H ASN 4 1.847 0.363 -7.189 27 HA ASN 4 HA ASN 4 4.302 -0.956 -7.806 28 HB2 ASN 4 HB2 ASN 4 4.857 1.122 -9.001 29 HB3 ASN 4 HB3 ASN 4 3.229 0.575 -9.393 30 HD21 ASN 4 HD21 ASN 4 5.125 2.965 -7.719 31 HD22 ASN 4 HD22 ASN 4 3.843 4.096 -7.463 32 H VAL 5 H VAL 5 3.566 -0.015 -4.943 33 HA VAL 5 HA VAL 5 5.801 1.778 -4.393 34 HB VAL 5 HB VAL 5 3.657 0.792 -2.507 35 HG11 VAL 5 HG11 VAL 5 4.290 2.823 -1.216 36 HG12 VAL 5 HG12 VAL 5 5.661 3.028 -2.305 37 HG13 VAL 5 HG13 VAL 5 5.548 1.591 -1.289 38 HG21 VAL 5 HG21 VAL 5 2.514 2.882 -2.885 39 HG22 VAL 5 HG22 VAL 5 2.708 2.024 -4.413 40 HG23 VAL 5 HG23 VAL 5 3.755 3.390 -4.029 41 H LYS 6 H LYS 6 7.599 1.151 -3.381 42 HA LYS 6 HA LYS 6 7.995 -1.651 -2.762 43 HB2 LYS 6 HB2 LYS 6 9.754 -0.300 -3.873 44 HB3 LYS 6 HB3 LYS 6 9.839 0.724 -2.450 45 HG2 LYS 6 HG2 LYS 6 10.579 -1.202 -1.120 46 HG3 LYS 6 HG3 LYS 6 10.543 -2.198 -2.576 47 HD2 LYS 6 HD2 LYS 6 12.230 -0.792 -3.610 48 HD3 LYS 6 HD3 LYS 6 12.228 0.278 -2.206 49 HE2 LYS 6 HE2 LYS 6 13.031 -1.541 -0.802 50 HE3 LYS 6 HE3 LYS 6 12.990 -2.641 -2.179 51 HZ1 LYS 6 HZ1 LYS 6 15.219 -1.839 -1.787 52 HZ2 LYS 6 HZ2 LYS 6 14.708 -0.232 -1.922 53 HZ3 LYS 6 HZ3 LYS 6 14.654 -1.254 -3.271 54 H CYS 7 H CYS 7 8.535 -2.446 -0.676 55 HA CYS 7 HA CYS 7 7.147 -1.126 1.453 56 HB2 CYS 7 HB2 CYS 7 7.158 -3.541 1.441 57 HB3 CYS 7 HB3 CYS 7 8.918 -3.579 1.482 58 H LYS 8 H LYS 8 8.348 0.893 1.424 59 HA LYS 8 HA LYS 8 11.067 0.902 2.368 60 HB2 LYS 8 HB2 LYS 8 9.034 3.112 2.029 61 HB3 LYS 8 HB3 LYS 8 10.689 3.390 2.555 62 HG2 LYS 8 HG2 LYS 8 11.484 2.405 0.433 63 HG3 LYS 8 HG3 LYS 8 9.806 2.246 -0.088 64 HD2 LYS 8 HD2 LYS 8 9.526 4.674 0.122 65 HD3 LYS 8 HD3 LYS 8 11.216 4.819 0.610 66 HE2 LYS 8 HE2 LYS 8 11.900 3.869 -1.551 67 HE3 LYS 8 HE3 LYS 8 10.206 3.781 -2.035 68 HZ1 LYS 8 HZ1 LYS 8 10.091 6.210 -1.749 69 HZ2 LYS 8 HZ2 LYS 8 11.187 5.743 -2.947 70 HZ3 LYS 8 HZ3 LYS 8 11.751 6.240 -1.435 71 H HIS 9 H HIS 9 7.879 1.449 3.700 72 HA HIS 9 HA HIS 9 8.582 0.591 6.274 73 HB2 HIS 9 HB2 HIS 9 7.931 2.846 7.399 74 HB3 HIS 9 HB3 HIS 9 9.577 2.603 6.859 75 HD1 HIS 9 HD1 HIS 9 10.366 3.972 4.794 76 HD2 HIS 9 HD2 HIS 9 6.556 4.918 6.151 77 HE1 HIS 9 HE1 HIS 9 9.766 6.120 3.652 78 HE2 HIS 9 HE2 HIS 9 7.520 6.761 4.610 79 H SER 10 H SER 10 6.855 -0.291 7.071 80 HA SER 10 HA SER 10 4.427 -0.242 5.669 81 HB2 SER 10 HB2 SER 10 3.605 -1.631 7.586 82 HB3 SER 10 HB3 SER 10 5.114 -2.197 6.877 83 HG SER 10 HG SER 10 5.200 -0.417 9.047 84 H GLY 11 H GLY 11 3.354 1.588 5.525 85 HA2 GLY 11 HA2 GLY 11 1.624 2.748 7.134 86 HA3 GLY 11 HA3 GLY 11 3.122 3.395 7.801 87 H GLN 12 H GLN 12 4.470 3.403 5.228 88 HA GLN 12 HA GLN 12 3.882 5.984 4.308 89 HB2 GLN 12 HB2 GLN 12 6.043 4.973 3.927 90 HB3 GLN 12 HB3 GLN 12 5.324 3.700 2.953 91 HG2 GLN 12 HG2 GLN 12 4.629 5.440 1.316 92 HG3 GLN 12 HG3 GLN 12 5.523 6.623 2.271 93 HE21 GLN 12 HE21 GLN 12 5.759 3.872 0.166 94 HE22 GLN 12 HE22 GLN 12 7.443 4.028 -0.179 95 H CYS 13 H CYS 13 2.587 2.885 3.357 96 HA CYS 13 HA CYS 13 1.905 3.635 0.706 97 HB2 CYS 13 HB2 CYS 13 1.021 1.319 2.408 98 HB3 CYS 13 HB3 CYS 13 0.592 1.510 0.712 99 H LEU 14 H LEU 14 0.454 4.458 3.606 100 HA LEU 14 HA LEU 14 -2.270 4.235 3.025 101 HB2 LEU 14 HB2 LEU 14 -0.628 5.947 4.812 102 HB3 LEU 14 HB3 LEU 14 -2.276 6.445 4.515 103 HG LEU 14 HG LEU 14 -2.023 5.121 6.590 104 HD11 LEU 14 HD11 LEU 14 -4.091 5.179 5.168 105 HD12 LEU 14 HD12 LEU 14 -3.953 3.812 6.272 106 HD13 LEU 14 HD13 LEU 14 -3.616 3.599 4.552 107 HD21 LEU 14 HD21 LEU 14 -1.446 2.775 4.785 108 HD22 LEU 14 HD22 LEU 14 -1.502 2.797 6.550 109 HD23 LEU 14 HD23 LEU 14 -0.203 3.634 5.699 110 H LYS 15 H LYS 15 0.085 6.688 2.157 111 HA LYS 15 HA LYS 15 -1.779 8.516 1.050 112 HB2 LYS 15 HB2 LYS 15 1.183 8.295 0.516 113 HB3 LYS 15 HB3 LYS 15 0.170 9.685 0.160 114 HG2 LYS 15 HG2 LYS 15 0.748 8.586 2.904 115 HG3 LYS 15 HG3 LYS 15 1.488 10.017 2.185 116 HD2 LYS 15 HD2 LYS 15 -0.658 11.128 2.096 117 HD3 LYS 15 HD3 LYS 15 -1.464 9.674 2.682 118 HE2 LYS 15 HE2 LYS 15 -0.231 9.841 4.790 119 HE3 LYS 15 HE3 LYS 15 0.569 11.299 4.204 120 HZ1 LYS 15 HZ1 LYS 15 -2.349 10.978 4.649 121 HZ2 LYS 15 HZ2 LYS 15 -1.596 12.372 4.063 122 HZ3 LYS 15 HZ3 LYS 15 -1.283 11.845 5.638 123 HA PRO 16 HA PRO 16 -0.556 6.839 -3.278 124 HB2 PRO 16 HB2 PRO 16 0.776 4.479 -3.473 125 HB3 PRO 16 HB3 PRO 16 1.587 6.048 -3.393 126 HG2 PRO 16 HG2 PRO 16 1.134 4.032 -1.235 127 HG3 PRO 16 HG3 PRO 16 2.577 5.003 -1.576 128 HD2 PRO 16 HD2 PRO 16 0.804 5.626 0.386 129 HD3 PRO 16 HD3 PRO 16 1.743 6.846 -0.493 130 H CYS 17 H CYS 17 -1.375 4.498 -0.773 131 HA CYS 17 HA CYS 17 -2.660 2.682 -2.583 132 HB2 CYS 17 HB2 CYS 17 -1.649 1.953 -0.438 133 HB3 CYS 17 HB3 CYS 17 -2.920 2.816 0.422 134 H LYS 18 H LYS 18 -3.803 5.269 -0.422 135 HA LYS 18 HA LYS 18 -6.552 4.796 -0.824 136 HB2 LYS 18 HB2 LYS 18 -6.898 7.072 -0.077 137 HB3 LYS 18 HB3 LYS 18 -5.656 6.321 0.910 138 HG2 LYS 18 HG2 LYS 18 -3.933 7.506 -0.198 139 HG3 LYS 18 HG3 LYS 18 -5.043 8.072 -1.448 140 HD2 LYS 18 HD2 LYS 18 -6.246 9.396 0.224 141 HD3 LYS 18 HD3 LYS 18 -5.152 8.810 1.479 142 HE2 LYS 18 HE2 LYS 18 -3.271 9.862 0.362 143 HE3 LYS 18 HE3 LYS 18 -4.322 10.395 -0.948 144 HZ1 LYS 18 HZ1 LYS 18 -5.529 11.769 0.623 145 HZ2 LYS 18 HZ2 LYS 18 -3.887 12.166 0.632 146 HZ3 LYS 18 HZ3 LYS 18 -4.537 11.244 1.889 147 H LYS 19 H LYS 19 -4.096 6.084 -2.838 148 HA LYS 19 HA LYS 19 -5.887 7.441 -4.668 149 HB2 LYS 19 HB2 LYS 19 -2.951 6.758 -4.956 150 HB3 LYS 19 HB3 LYS 19 -3.865 7.830 -6.006 151 HG2 LYS 19 HG2 LYS 19 -4.175 9.397 -4.186 152 HG3 LYS 19 HG3 LYS 19 -3.345 8.303 -3.078 153 HD2 LYS 19 HD2 LYS 19 -1.312 8.485 -4.472 154 HD3 LYS 19 HD3 LYS 19 -2.151 9.642 -5.506 155 HE2 LYS 19 HE2 LYS 19 -1.690 10.019 -2.552 156 HE3 LYS 19 HE3 LYS 19 -0.654 10.686 -3.813 157 HZ1 LYS 19 HZ1 LYS 19 -3.550 11.276 -3.526 158 HZ2 LYS 19 HZ2 LYS 19 -2.483 11.981 -4.630 159 HZ3 LYS 19 HZ3 LYS 19 -2.305 12.277 -2.975 160 H ALA 20 H ALA 20 -4.769 4.333 -4.068 161 HA ALA 20 HA ALA 20 -5.120 3.331 -6.774 162 HB1 ALA 20 HB1 ALA 20 -4.516 1.953 -4.153 163 HB2 ALA 20 HB2 ALA 20 -3.386 2.303 -5.464 164 HB3 ALA 20 HB3 ALA 20 -4.669 1.119 -5.701 165 H GLY 21 H GLY 21 -7.031 4.098 -4.136 166 HA2 GLY 21 HA2 GLY 21 -9.354 3.910 -3.976 167 HA3 GLY 21 HA3 GLY 21 -9.321 2.707 -5.261 168 H MET 22 H MET 22 -7.076 2.328 -2.700 169 HA MET 22 HA MET 22 -8.738 0.168 -1.601 170 HB2 MET 22 HB2 MET 22 -5.715 0.212 -1.661 171 HB3 MET 22 HB3 MET 22 -6.756 -1.130 -1.219 172 HG2 MET 22 HG2 MET 22 -7.606 -1.242 -3.505 173 HG3 MET 22 HG3 MET 22 -6.560 0.099 -3.957 174 HE1 MET 22 HE1 MET 22 -4.782 -2.773 -5.825 175 HE2 MET 22 HE2 MET 22 -5.487 -1.158 -5.923 176 HE3 MET 22 HE3 MET 22 -6.522 -2.555 -5.636 177 H ARG 23 H ARG 23 -7.710 -0.445 0.728 178 HA ARG 23 HA ARG 23 -8.362 1.987 2.158 179 HB2 ARG 23 HB2 ARG 23 -9.376 -0.323 2.564 180 HB3 ARG 23 HB3 ARG 23 -7.872 -0.719 3.377 181 HG2 ARG 23 HG2 ARG 23 -8.364 0.521 5.184 182 HG3 ARG 23 HG3 ARG 23 -9.187 1.764 4.243 183 HD2 ARG 23 HD2 ARG 23 -10.670 0.436 5.766 184 HD3 ARG 23 HD3 ARG 23 -11.161 0.451 4.075 185 HE ARG 23 HE ARG 23 -10.160 -1.801 3.911 186 HH11 ARG 23 HH11 ARG 23 -11.016 -0.570 7.081 187 HH12 ARG 23 HH12 ARG 23 -11.251 -2.149 7.762 188 HH21 ARG 23 HH21 ARG 23 -10.496 -3.861 4.802 189 HH22 ARG 23 HH22 ARG 23 -10.953 -4.017 6.470 190 H PHE 24 H PHE 24 -6.000 -0.522 3.118 191 HA PHE 24 HA PHE 24 -4.046 1.642 3.548 192 HB2 PHE 24 HB2 PHE 24 -3.520 -0.697 5.186 193 HB3 PHE 24 HB3 PHE 24 -3.621 0.990 5.659 194 HD1 PHE 24 HD1 PHE 24 -5.475 -2.093 5.160 195 HD2 PHE 24 HD2 PHE 24 -5.592 1.844 6.725 196 HE1 PHE 24 HE1 PHE 24 -7.564 -2.633 6.291 197 HE2 PHE 24 HE2 PHE 24 -7.688 1.314 7.904 198 HZ PHE 24 HZ PHE 24 -8.681 -0.933 7.692 199 H GLY 25 H GLY 25 -1.785 0.493 3.892 200 HA2 GLY 25 HA2 GLY 25 -1.471 -1.606 1.865 201 HA3 GLY 25 HA3 GLY 25 -0.470 -0.163 1.806 202 H LYS 26 H LYS 26 -0.595 -3.296 2.816 203 HA LYS 26 HA LYS 26 1.106 -2.933 5.158 204 HB2 LYS 26 HB2 LYS 26 0.761 -5.203 5.631 205 HB3 LYS 26 HB3 LYS 26 -0.780 -4.679 4.977 206 HG2 LYS 26 HG2 LYS 26 -0.188 -5.645 2.810 207 HG3 LYS 26 HG3 LYS 26 1.357 -6.176 3.473 208 HD2 LYS 26 HD2 LYS 26 -1.359 -7.041 4.464 209 HD3 LYS 26 HD3 LYS 26 -0.309 -7.988 3.411 210 HE2 LYS 26 HE2 LYS 26 0.408 -7.066 6.192 211 HE3 LYS 26 HE3 LYS 26 -0.191 -8.670 5.786 212 HZ1 LYS 26 HZ1 LYS 26 2.328 -7.473 4.753 213 HZ2 LYS 26 HZ2 LYS 26 1.757 -9.030 4.420 214 HZ3 LYS 26 HZ3 LYS 26 2.221 -8.621 5.989 215 H CYS 27 H CYS 27 3.076 -4.352 5.273 216 HA CYS 27 HA CYS 27 4.678 -3.915 2.914 217 HB2 CYS 27 HB2 CYS 27 5.614 -3.509 5.161 218 HB3 CYS 27 HB3 CYS 27 5.387 -5.211 5.555 219 H ILE 28 H ILE 28 5.294 -5.419 1.466 220 HA ILE 28 HA ILE 28 4.689 -8.231 2.073 221 HB ILE 28 HB ILE 28 3.405 -6.757 0.132 222 HG12 ILE 28 HG12 ILE 28 2.641 -8.971 -0.708 223 HG13 ILE 28 HG13 ILE 28 3.892 -9.734 0.268 224 HG21 ILE 28 HG21 ILE 28 5.527 -8.387 -1.254 225 HG22 ILE 28 HG22 ILE 28 5.376 -6.628 -1.277 226 HG23 ILE 28 HG23 ILE 28 4.135 -7.629 -2.033 227 HD11 ILE 28 HD11 ILE 28 2.806 -8.622 2.266 228 HD12 ILE 28 HD12 ILE 28 1.898 -9.917 1.493 229 HD13 ILE 28 HD13 ILE 28 1.464 -8.237 1.193 230 H ASN 29 H ASN 29 6.002 -9.617 0.293 231 HA ASN 29 HA ASN 29 8.404 -9.915 1.411 232 HB2 ASN 29 HB2 ASN 29 9.123 -11.248 -0.467 233 HB3 ASN 29 HB3 ASN 29 7.402 -11.487 -0.202 234 HD21 ASN 29 HD21 ASN 29 5.938 -10.794 -1.743 235 HD22 ASN 29 HD22 ASN 29 6.425 -10.284 -3.323 236 H GLY 30 H GLY 30 7.996 -7.922 -1.498 237 HA2 GLY 30 HA2 GLY 30 10.314 -6.382 -0.542 238 HA3 GLY 30 HA3 GLY 30 10.242 -6.878 -2.227 239 H LYS 31 H LYS 31 7.139 -6.357 -1.313 240 HA LYS 31 HA LYS 31 7.236 -3.673 -2.531 241 HB2 LYS 31 HB2 LYS 31 5.269 -5.869 -3.212 242 HB3 LYS 31 HB3 LYS 31 5.290 -4.251 -3.896 243 HG2 LYS 31 HG2 LYS 31 7.384 -6.382 -4.262 244 HG3 LYS 31 HG3 LYS 31 6.226 -5.812 -5.467 245 HD2 LYS 31 HD2 LYS 31 7.254 -3.549 -5.284 246 HD3 LYS 31 HD3 LYS 31 8.482 -4.242 -4.223 247 HE2 LYS 31 HE2 LYS 31 9.375 -4.130 -6.444 248 HE3 LYS 31 HE3 LYS 31 9.079 -5.822 -6.046 249 HZ1 LYS 31 HZ1 LYS 31 7.082 -5.784 -7.342 250 HZ2 LYS 31 HZ2 LYS 31 8.344 -5.198 -8.300 251 HZ3 LYS 31 HZ3 LYS 31 7.227 -4.125 -7.626 252 H CYS 32 H CYS 32 4.574 -3.131 -2.591 253 HA CYS 32 HA CYS 32 3.729 -3.439 0.205 254 HB2 CYS 32 HB2 CYS 32 4.352 -1.104 -0.518 255 HB3 CYS 32 HB3 CYS 32 2.989 -1.156 -1.635 256 H ASP 33 H ASP 33 1.920 -4.489 0.516 257 HA ASP 33 HA ASP 33 0.106 -4.919 -1.777 258 HB2 ASP 33 HB2 ASP 33 1.140 -6.976 -0.952 259 HB3 ASP 33 HB3 ASP 33 0.535 -6.653 0.666 260 H CYS 34 H CYS 34 -1.872 -4.122 -1.643 261 HA CYS 34 HA CYS 34 -2.506 -2.592 0.737 262 HB2 CYS 34 HB2 CYS 34 -3.551 -2.614 -2.056 263 HB3 CYS 34 HB3 CYS 34 -4.473 -1.846 -0.774 264 H THR 35 H THR 35 -4.539 -2.545 1.720 265 HA THR 35 HA THR 35 -5.948 -5.129 1.631 266 HB THR 35 HB THR 35 -5.889 -3.000 3.762 267 HG1 THR 35 HG1 THR 35 -4.213 -5.015 3.220 268 HG21 THR 35 HG21 THR 35 -8.030 -4.243 3.657 269 HG22 THR 35 HG22 THR 35 -7.135 -4.518 5.156 270 HG23 THR 35 HG23 THR 35 -7.125 -5.743 3.888 271 HA PRO 36 HA PRO 36 -9.202 -2.699 -0.210 272 HB2 PRO 36 HB2 PRO 36 -11.011 -4.645 -0.460 273 HB3 PRO 36 HB3 PRO 36 -9.562 -4.612 -1.462 274 HG2 PRO 36 HG2 PRO 36 -10.106 -6.203 1.022 275 HG3 PRO 36 HG3 PRO 36 -9.397 -6.741 -0.510 276 HD2 PRO 36 HD2 PRO 36 -7.901 -6.101 1.663 277 HD3 PRO 36 HD3 PRO 36 -7.328 -5.875 -0.002 278 H LYS 37 H LYS 37 -11.739 -2.705 0.222 279 HA LYS 37 HA LYS 37 -12.015 -2.042 3.037 280 HB2 LYS 37 HB2 LYS 37 -14.241 -1.072 2.237 281 HB3 LYS 37 HB3 LYS 37 -12.772 -0.292 1.669 282 HG2 LYS 37 HG2 LYS 37 -12.973 -1.528 -0.453 283 HG3 LYS 37 HG3 LYS 37 -14.491 -2.219 0.120 284 HD2 LYS 37 HD2 LYS 37 -15.505 -0.045 0.213 285 HD3 LYS 37 HD3 LYS 37 -13.966 0.737 -0.152 286 HE2 LYS 37 HE2 LYS 37 -15.495 -1.113 -1.977 287 HE3 LYS 37 HE3 LYS 37 -15.403 0.642 -2.123 288 HZ1 LYS 37 HZ1 LYS 37 -13.859 -0.358 -3.630 289 HZ2 LYS 37 HZ2 LYS 37 -13.157 -1.280 -2.401 290 HZ3 LYS 37 HZ3 LYS 37 -12.979 0.402 -2.401 Start of MODEL 14 1 H1 VAL 1 H1 VAL 1 -3.493 -7.532 -5.005 2 H2 VAL 1 H2 VAL 1 -3.506 -6.668 -6.460 3 H3 VAL 1 H3 VAL 1 -4.859 -7.568 -6.000 4 HA VAL 1 HA VAL 1 -5.214 -5.222 -5.651 5 HB VAL 1 HB VAL 1 -5.831 -5.295 -3.237 6 HG11 VAL 1 HG11 VAL 1 -7.515 -7.005 -3.506 7 HG12 VAL 1 HG12 VAL 1 -6.604 -7.742 -4.820 8 HG13 VAL 1 HG13 VAL 1 -7.307 -6.138 -5.024 9 HG21 VAL 1 HG21 VAL 1 -3.922 -6.698 -2.541 10 HG22 VAL 1 HG22 VAL 1 -4.676 -8.076 -3.341 11 HG23 VAL 1 HG23 VAL 1 -5.475 -7.307 -1.970 12 H GLY 2 H GLY 2 -2.116 -6.026 -5.260 13 HA2 GLY 2 HA2 GLY 2 -1.364 -4.036 -3.303 14 HA3 GLY 2 HA3 GLY 2 -0.274 -5.033 -4.254 15 H ILE 3 H ILE 3 0.702 -2.714 -4.163 16 HA ILE 3 HA ILE 3 -0.112 -1.367 -6.645 17 HB ILE 3 HB ILE 3 0.709 0.774 -5.564 18 HG12 ILE 3 HG12 ILE 3 0.457 -0.938 -3.085 19 HG13 ILE 3 HG13 ILE 3 1.915 -0.153 -3.681 20 HG21 ILE 3 HG21 ILE 3 -1.421 1.129 -4.323 21 HG22 ILE 3 HG22 ILE 3 -1.761 -0.591 -4.524 22 HG23 ILE 3 HG23 ILE 3 -1.624 0.453 -5.940 23 HD11 ILE 3 HD11 ILE 3 0.996 2.014 -3.187 24 HD12 ILE 3 HD12 ILE 3 0.906 0.992 -1.754 25 HD13 ILE 3 HD13 ILE 3 -0.541 1.293 -2.718 26 H ASN 4 H ASN 4 1.655 -0.038 -7.556 27 HA ASN 4 HA ASN 4 3.905 -1.714 -7.997 28 HB2 ASN 4 HB2 ASN 4 4.642 0.018 -9.550 29 HB3 ASN 4 HB3 ASN 4 2.920 -0.289 -9.754 30 HD21 ASN 4 HD21 ASN 4 5.325 1.976 -8.655 31 HD22 ASN 4 HD22 ASN 4 4.264 3.333 -8.508 32 H VAL 5 H VAL 5 3.388 0.044 -5.387 33 HA VAL 5 HA VAL 5 5.874 1.521 -5.238 34 HB VAL 5 HB VAL 5 3.870 1.072 -3.030 35 HG11 VAL 5 HG11 VAL 5 4.709 3.164 -2.148 36 HG12 VAL 5 HG12 VAL 5 5.823 3.313 -3.508 37 HG13 VAL 5 HG13 VAL 5 6.023 2.004 -2.342 38 HG21 VAL 5 HG21 VAL 5 2.673 2.994 -3.702 39 HG22 VAL 5 HG22 VAL 5 2.817 1.959 -5.125 40 HG23 VAL 5 HG23 VAL 5 3.853 3.376 -4.956 41 H LYS 6 H LYS 6 7.657 0.899 -4.118 42 HA LYS 6 HA LYS 6 7.697 -1.794 -3.028 43 HB2 LYS 6 HB2 LYS 6 9.884 0.226 -3.528 44 HB3 LYS 6 HB3 LYS 6 10.163 -1.345 -2.787 45 HG2 LYS 6 HG2 LYS 6 9.358 -2.456 -4.794 46 HG3 LYS 6 HG3 LYS 6 9.023 -0.893 -5.539 47 HD2 LYS 6 HD2 LYS 6 11.748 -1.813 -4.632 48 HD3 LYS 6 HD3 LYS 6 11.157 -1.920 -6.291 49 HE2 LYS 6 HE2 LYS 6 11.503 0.614 -4.688 50 HE3 LYS 6 HE3 LYS 6 12.565 0.048 -5.975 51 HZ1 LYS 6 HZ1 LYS 6 9.707 0.785 -6.292 52 HZ2 LYS 6 HZ2 LYS 6 10.719 0.229 -7.524 53 HZ3 LYS 6 HZ3 LYS 6 11.029 1.714 -6.784 54 H CYS 7 H CYS 7 8.045 -2.292 -0.924 55 HA CYS 7 HA CYS 7 7.134 -0.367 0.974 56 HB2 CYS 7 HB2 CYS 7 6.407 -2.535 1.433 57 HB3 CYS 7 HB3 CYS 7 7.989 -3.240 1.114 58 H LYS 8 H LYS 8 8.583 1.294 1.377 59 HA LYS 8 HA LYS 8 11.222 0.570 2.380 60 HB2 LYS 8 HB2 LYS 8 9.835 3.232 2.041 61 HB3 LYS 8 HB3 LYS 8 11.399 3.060 2.824 62 HG2 LYS 8 HG2 LYS 8 12.299 2.102 0.735 63 HG3 LYS 8 HG3 LYS 8 10.737 2.390 -0.036 64 HD2 LYS 8 HD2 LYS 8 10.948 4.760 0.287 65 HD3 LYS 8 HD3 LYS 8 12.403 4.543 1.258 66 HE2 LYS 8 HE2 LYS 8 13.000 5.279 -0.966 67 HE3 LYS 8 HE3 LYS 8 13.555 3.627 -0.711 68 HZ1 LYS 8 HZ1 LYS 8 12.552 3.906 -2.889 69 HZ2 LYS 8 HZ2 LYS 8 11.101 4.409 -2.186 70 HZ3 LYS 8 HZ3 LYS 8 11.650 2.828 -1.950 71 H HIS 9 H HIS 9 8.149 1.902 3.455 72 HA HIS 9 HA HIS 9 8.657 0.969 6.171 73 HB2 HIS 9 HB2 HIS 9 7.586 3.763 5.736 74 HB3 HIS 9 HB3 HIS 9 8.155 3.037 7.234 75 HD1 HIS 9 HD1 HIS 9 9.286 4.895 4.252 76 HD2 HIS 9 HD2 HIS 9 11.002 2.927 7.484 77 HE1 HIS 9 HE1 HIS 9 11.711 5.512 4.198 78 HE2 HIS 9 HE2 HIS 9 12.696 4.464 6.272 79 H SER 10 H SER 10 6.616 0.733 7.379 80 HA SER 10 HA SER 10 4.633 -0.373 5.733 81 HB2 SER 10 HB2 SER 10 3.287 -0.324 7.964 82 HB3 SER 10 HB3 SER 10 4.736 -1.323 7.846 83 HG SER 10 HG SER 10 4.270 0.985 9.321 84 H GLY 11 H GLY 11 4.582 2.647 7.617 85 HA2 GLY 11 HA2 GLY 11 1.962 3.392 6.806 86 HA3 GLY 11 HA3 GLY 11 3.154 4.446 7.551 87 H GLN 12 H GLN 12 4.924 3.450 5.167 88 HA GLN 12 HA GLN 12 4.528 5.771 3.568 89 HB2 GLN 12 HB2 GLN 12 6.748 4.667 3.897 90 HB3 GLN 12 HB3 GLN 12 6.173 3.320 2.929 91 HG2 GLN 12 HG2 GLN 12 5.805 4.891 1.062 92 HG3 GLN 12 HG3 GLN 12 6.577 6.147 2.025 93 HE21 GLN 12 HE21 GLN 12 7.020 3.244 0.202 94 HE22 GLN 12 HE22 GLN 12 8.746 3.318 0.119 95 H CYS 13 H CYS 13 3.474 2.463 3.407 96 HA CYS 13 HA CYS 13 2.849 2.540 0.600 97 HB2 CYS 13 HB2 CYS 13 2.163 0.504 2.728 98 HB3 CYS 13 HB3 CYS 13 1.908 0.289 0.998 99 H LEU 14 H LEU 14 1.274 3.321 3.543 100 HA LEU 14 HA LEU 14 -1.420 3.103 2.742 101 HB2 LEU 14 HB2 LEU 14 0.080 4.299 4.929 102 HB3 LEU 14 HB3 LEU 14 -1.296 5.274 4.474 103 HG LEU 14 HG LEU 14 -1.873 3.788 6.297 104 HD11 LEU 14 HD11 LEU 14 -3.468 4.358 4.433 105 HD12 LEU 14 HD12 LEU 14 -3.887 2.967 5.431 106 HD13 LEU 14 HD13 LEU 14 -3.195 2.727 3.825 107 HD21 LEU 14 HD21 LEU 14 -1.318 1.481 4.446 108 HD22 LEU 14 HD22 LEU 14 -1.803 1.416 6.140 109 HD23 LEU 14 HD23 LEU 14 -0.203 2.016 5.705 110 H LYS 15 H LYS 15 1.023 5.545 2.221 111 HA LYS 15 HA LYS 15 -0.643 7.737 1.728 112 HB2 LYS 15 HB2 LYS 15 2.183 7.133 0.896 113 HB3 LYS 15 HB3 LYS 15 1.401 8.661 0.541 114 HG2 LYS 15 HG2 LYS 15 1.124 9.113 2.891 115 HG3 LYS 15 HG3 LYS 15 1.756 7.518 3.301 116 HD2 LYS 15 HD2 LYS 15 3.465 9.213 3.622 117 HD3 LYS 15 HD3 LYS 15 3.915 8.136 2.301 118 HE2 LYS 15 HE2 LYS 15 3.123 9.789 0.685 119 HE3 LYS 15 HE3 LYS 15 2.668 10.864 2.005 120 HZ1 LYS 15 HZ1 LYS 15 4.985 10.979 2.664 121 HZ2 LYS 15 HZ2 LYS 15 4.802 11.475 1.058 122 HZ3 LYS 15 HZ3 LYS 15 5.425 9.942 1.404 123 HA PRO 16 HA PRO 16 -0.450 6.894 -2.997 124 HB2 PRO 16 HB2 PRO 16 0.652 4.574 -3.882 125 HB3 PRO 16 HB3 PRO 16 1.582 6.061 -3.674 126 HG2 PRO 16 HG2 PRO 16 1.371 3.691 -1.857 127 HG3 PRO 16 HG3 PRO 16 2.804 4.628 -2.314 128 HD2 PRO 16 HD2 PRO 16 1.531 4.994 0.044 129 HD3 PRO 16 HD3 PRO 16 2.340 6.309 -0.820 130 H CYS 17 H CYS 17 -1.118 4.458 -0.664 131 HA CYS 17 HA CYS 17 -2.618 2.697 -2.318 132 HB2 CYS 17 HB2 CYS 17 -1.529 2.109 -0.119 133 HB3 CYS 17 HB3 CYS 17 -2.842 2.971 0.676 134 H LYS 18 H LYS 18 -3.460 5.470 -0.297 135 HA LYS 18 HA LYS 18 -6.253 5.181 -0.452 136 HB2 LYS 18 HB2 LYS 18 -6.387 7.506 0.170 137 HB3 LYS 18 HB3 LYS 18 -5.091 6.751 1.082 138 HG2 LYS 18 HG2 LYS 18 -3.431 7.778 -0.260 139 HG3 LYS 18 HG3 LYS 18 -4.628 8.316 -1.439 140 HD2 LYS 18 HD2 LYS 18 -5.630 9.772 0.278 141 HD3 LYS 18 HD3 LYS 18 -4.386 9.257 1.419 142 HE2 LYS 18 HE2 LYS 18 -3.842 10.628 -1.211 143 HE3 LYS 18 HE3 LYS 18 -3.911 11.446 0.348 144 HZ1 LYS 18 HZ1 LYS 18 -2.066 10.099 1.104 145 HZ2 LYS 18 HZ2 LYS 18 -1.638 10.935 -0.300 146 HZ3 LYS 18 HZ3 LYS 18 -2.004 9.285 -0.377 147 H LYS 19 H LYS 19 -3.903 6.233 -2.754 148 HA LYS 19 HA LYS 19 -5.877 7.491 -4.489 149 HB2 LYS 19 HB2 LYS 19 -2.926 6.993 -4.944 150 HB3 LYS 19 HB3 LYS 19 -3.973 7.979 -5.954 151 HG2 LYS 19 HG2 LYS 19 -3.285 8.545 -3.078 152 HG3 LYS 19 HG3 LYS 19 -2.562 9.328 -4.481 153 HD2 LYS 19 HD2 LYS 19 -5.511 9.394 -3.852 154 HD3 LYS 19 HD3 LYS 19 -4.374 10.646 -3.357 155 HE2 LYS 19 HE2 LYS 19 -4.923 9.805 -6.202 156 HE3 LYS 19 HE3 LYS 19 -5.579 11.239 -5.417 157 HZ1 LYS 19 HZ1 LYS 19 -3.276 12.014 -5.096 158 HZ2 LYS 19 HZ2 LYS 19 -3.684 11.845 -6.726 159 HZ3 LYS 19 HZ3 LYS 19 -2.717 10.684 -5.977 160 H ALA 20 H ALA 20 -4.544 4.481 -3.870 161 HA ALA 20 HA ALA 20 -4.835 3.338 -6.495 162 HB1 ALA 20 HB1 ALA 20 -4.470 2.068 -3.781 163 HB2 ALA 20 HB2 ALA 20 -3.208 2.406 -4.969 164 HB3 ALA 20 HB3 ALA 20 -4.444 1.196 -5.315 165 H GLY 21 H GLY 21 -6.827 3.964 -3.775 166 HA2 GLY 21 HA2 GLY 21 -9.181 3.880 -3.808 167 HA3 GLY 21 HA3 GLY 21 -9.100 2.727 -5.134 168 H MET 22 H MET 22 -6.954 2.115 -2.559 169 HA MET 22 HA MET 22 -8.626 -0.159 -1.776 170 HB2 MET 22 HB2 MET 22 -5.670 0.343 -1.431 171 HB3 MET 22 HB3 MET 22 -6.514 -1.047 -0.769 172 HG2 MET 22 HG2 MET 22 -6.344 -0.353 -3.689 173 HG3 MET 22 HG3 MET 22 -5.360 -1.557 -2.861 174 HE1 MET 22 HE1 MET 22 -7.140 -2.095 -5.488 175 HE2 MET 22 HE2 MET 22 -7.792 -3.684 -5.093 176 HE3 MET 22 HE3 MET 22 -6.109 -3.307 -4.729 177 H ARG 23 H ARG 23 -7.874 -0.827 0.666 178 HA ARG 23 HA ARG 23 -8.996 1.394 2.182 179 HB2 ARG 23 HB2 ARG 23 -9.955 -0.925 2.290 180 HB3 ARG 23 HB3 ARG 23 -8.484 -1.436 3.099 181 HG2 ARG 23 HG2 ARG 23 -9.027 -0.418 5.044 182 HG3 ARG 23 HG3 ARG 23 -9.937 0.864 4.247 183 HD2 ARG 23 HD2 ARG 23 -11.361 -0.700 5.544 184 HD3 ARG 23 HD3 ARG 23 -11.781 -0.624 3.838 185 HE ARG 23 HE ARG 23 -10.446 -2.747 3.635 186 HH11 ARG 23 HH11 ARG 23 -11.955 -1.833 6.666 187 HH12 ARG 23 HH12 ARG 23 -12.164 -3.470 7.197 188 HH21 ARG 23 HH21 ARG 23 -10.711 -4.895 4.341 189 HH22 ARG 23 HH22 ARG 23 -11.440 -5.214 5.883 190 H PHE 24 H PHE 24 -6.485 -1.033 2.936 191 HA PHE 24 HA PHE 24 -4.800 1.175 3.902 192 HB2 PHE 24 HB2 PHE 24 -4.156 -1.437 5.054 193 HB3 PHE 24 HB3 PHE 24 -4.318 0.125 5.847 194 HD1 PHE 24 HD1 PHE 24 -6.032 -2.871 4.751 195 HD2 PHE 24 HD2 PHE 24 -6.383 0.740 6.933 196 HE1 PHE 24 HE1 PHE 24 -8.126 -3.681 5.692 197 HE2 PHE 24 HE2 PHE 24 -8.496 -0.058 7.917 198 HZ PHE 24 HZ PHE 24 -9.373 -2.280 7.302 199 H GLY 25 H GLY 25 -2.506 0.667 3.795 200 HA2 GLY 25 HA2 GLY 25 -1.815 -1.241 1.672 201 HA3 GLY 25 HA3 GLY 25 -1.127 0.376 1.721 202 H LYS 26 H LYS 26 -0.983 -2.825 2.973 203 HA LYS 26 HA LYS 26 0.803 -2.039 5.133 204 HB2 LYS 26 HB2 LYS 26 0.690 -4.423 5.796 205 HB3 LYS 26 HB3 LYS 26 -0.880 -3.642 5.741 206 HG2 LYS 26 HG2 LYS 26 -1.321 -4.693 3.573 207 HG3 LYS 26 HG3 LYS 26 0.262 -5.477 3.652 208 HD2 LYS 26 HD2 LYS 26 -0.363 -6.831 5.447 209 HD3 LYS 26 HD3 LYS 26 -1.742 -5.813 5.859 210 HE2 LYS 26 HE2 LYS 26 -2.564 -7.831 4.881 211 HE3 LYS 26 HE3 LYS 26 -2.821 -6.522 3.732 212 HZ1 LYS 26 HZ1 LYS 26 -0.998 -7.275 2.428 213 HZ2 LYS 26 HZ2 LYS 26 -1.963 -8.624 2.762 214 HZ3 LYS 26 HZ3 LYS 26 -0.522 -8.391 3.612 215 H CYS 27 H CYS 27 2.803 -3.221 5.454 216 HA CYS 27 HA CYS 27 4.299 -3.188 2.988 217 HB2 CYS 27 HB2 CYS 27 4.898 -2.885 5.818 218 HB3 CYS 27 HB3 CYS 27 6.070 -3.907 4.988 219 H ILE 28 H ILE 28 4.426 -4.890 1.783 220 HA ILE 28 HA ILE 28 4.569 -7.541 3.012 221 HB ILE 28 HB ILE 28 3.140 -6.489 0.750 222 HG12 ILE 28 HG12 ILE 28 2.001 -8.664 0.852 223 HG13 ILE 28 HG13 ILE 28 3.225 -9.247 1.973 224 HG21 ILE 28 HG21 ILE 28 5.084 -8.671 0.093 225 HG22 ILE 28 HG22 ILE 28 4.833 -7.136 -0.739 226 HG23 ILE 28 HG23 ILE 28 3.603 -8.397 -0.827 227 HD11 ILE 28 HD11 ILE 28 2.529 -7.425 3.532 228 HD12 ILE 28 HD12 ILE 28 1.298 -8.640 3.219 229 HD13 ILE 28 HD13 ILE 28 1.205 -7.071 2.427 230 H ASN 29 H ASN 29 6.010 -9.062 1.673 231 HA ASN 29 HA ASN 29 8.633 -8.462 1.890 232 HB2 ASN 29 HB2 ASN 29 9.036 -10.279 0.180 233 HB3 ASN 29 HB3 ASN 29 7.994 -10.706 1.529 234 HD21 ASN 29 HD21 ASN 29 5.830 -11.117 1.176 235 HD22 ASN 29 HD22 ASN 29 5.180 -11.353 -0.410 236 H GLY 30 H GLY 30 9.010 -6.340 1.229 237 HA2 GLY 30 HA2 GLY 30 10.212 -4.962 -0.185 238 HA3 GLY 30 HA3 GLY 30 10.062 -6.173 -1.446 239 H LYS 31 H LYS 31 6.963 -5.885 -0.601 240 HA LYS 31 HA LYS 31 6.578 -3.732 -2.581 241 HB2 LYS 31 HB2 LYS 31 6.271 -5.900 -3.652 242 HB3 LYS 31 HB3 LYS 31 5.108 -6.368 -2.427 243 HG2 LYS 31 HG2 LYS 31 3.615 -4.569 -3.179 244 HG3 LYS 31 HG3 LYS 31 4.776 -4.156 -4.439 245 HD2 LYS 31 HD2 LYS 31 3.700 -6.943 -4.222 246 HD3 LYS 31 HD3 LYS 31 2.752 -5.682 -5.008 247 HE2 LYS 31 HE2 LYS 31 3.993 -6.875 -6.680 248 HE3 LYS 31 HE3 LYS 31 4.664 -5.256 -6.525 249 HZ1 LYS 31 HZ1 LYS 31 6.510 -6.106 -5.324 250 HZ2 LYS 31 HZ2 LYS 31 6.333 -7.065 -6.701 251 HZ3 LYS 31 HZ3 LYS 31 5.820 -7.644 -5.197 252 H CYS 32 H CYS 32 4.877 -2.381 -2.322 253 HA CYS 32 HA CYS 32 3.538 -2.309 0.224 254 HB2 CYS 32 HB2 CYS 32 3.459 -0.620 -2.269 255 HB3 CYS 32 HB3 CYS 32 2.366 -0.304 -0.931 256 H ASP 33 H ASP 33 2.124 -3.947 0.482 257 HA ASP 33 HA ASP 33 0.304 -4.593 -1.723 258 HB2 ASP 33 HB2 ASP 33 1.486 -6.483 -0.840 259 HB3 ASP 33 HB3 ASP 33 1.001 -6.091 0.802 260 H CYS 34 H CYS 34 -1.635 -3.805 -1.707 261 HA CYS 34 HA CYS 34 -2.645 -2.535 0.701 262 HB2 CYS 34 HB2 CYS 34 -3.430 -2.357 -2.187 263 HB3 CYS 34 HB3 CYS 34 -4.414 -1.665 -0.908 264 H THR 35 H THR 35 -4.672 -2.855 1.520 265 HA THR 35 HA THR 35 -5.920 -5.420 0.782 266 HB THR 35 HB THR 35 -5.947 -3.912 3.390 267 HG1 THR 35 HG1 THR 35 -4.512 -6.101 2.404 268 HG21 THR 35 HG21 THR 35 -8.086 -5.083 2.912 269 HG22 THR 35 HG22 THR 35 -7.230 -5.720 4.320 270 HG23 THR 35 HG23 THR 35 -7.178 -6.594 2.789 271 HA PRO 36 HA PRO 36 -9.257 -2.754 -0.528 272 HB2 PRO 36 HB2 PRO 36 -10.949 -4.698 -1.314 273 HB3 PRO 36 HB3 PRO 36 -9.528 -4.249 -2.261 274 HG2 PRO 36 HG2 PRO 36 -9.913 -6.549 -0.387 275 HG3 PRO 36 HG3 PRO 36 -9.118 -6.517 -1.973 276 HD2 PRO 36 HD2 PRO 36 -7.755 -6.449 0.387 277 HD3 PRO 36 HD3 PRO 36 -7.152 -5.708 -1.109 278 H LYS 37 H LYS 37 -11.851 -3.264 -0.294 279 HA LYS 37 HA LYS 37 -12.290 -3.133 2.570 280 HB2 LYS 37 HB2 LYS 37 -14.276 -2.773 0.318 281 HB3 LYS 37 HB3 LYS 37 -14.517 -2.343 2.005 282 HG2 LYS 37 HG2 LYS 37 -12.745 -0.662 1.824 283 HG3 LYS 37 HG3 LYS 37 -12.531 -1.087 0.125 284 HD2 LYS 37 HD2 LYS 37 -14.909 -0.478 -0.268 285 HD3 LYS 37 HD3 LYS 37 -15.002 0.075 1.405 286 HE2 LYS 37 HE2 LYS 37 -14.620 1.980 0.013 287 HE3 LYS 37 HE3 LYS 37 -13.143 1.657 0.916 288 HZ1 LYS 37 HZ1 LYS 37 -12.270 0.521 -1.064 289 HZ2 LYS 37 HZ2 LYS 37 -12.616 2.145 -1.362 290 HZ3 LYS 37 HZ3 LYS 37 -13.665 0.945 -1.920 Start of MODEL 15 1 H1 VAL 1 H1 VAL 1 -4.297 -7.198 -2.124 2 H2 VAL 1 H2 VAL 1 -3.600 -5.796 -1.492 3 H3 VAL 1 H3 VAL 1 -2.614 -7.100 -1.935 4 HA VAL 1 HA VAL 1 -3.399 -6.817 -4.254 5 HB VAL 1 HB VAL 1 -4.464 -4.213 -3.157 6 HG11 VAL 1 HG11 VAL 1 -3.461 -3.995 -5.389 7 HG12 VAL 1 HG12 VAL 1 -5.211 -3.786 -5.437 8 HG13 VAL 1 HG13 VAL 1 -4.490 -5.303 -5.971 9 HG21 VAL 1 HG21 VAL 1 -6.647 -5.087 -3.885 10 HG22 VAL 1 HG22 VAL 1 -5.926 -6.062 -2.611 11 HG23 VAL 1 HG23 VAL 1 -5.884 -6.621 -4.281 12 H GLY 2 H GLY 2 -1.246 -6.820 -4.693 13 HA2 GLY 2 HA2 GLY 2 0.574 -4.936 -3.536 14 HA3 GLY 2 HA3 GLY 2 0.947 -6.116 -4.784 15 H ILE 3 H ILE 3 1.091 -2.981 -4.207 16 HA ILE 3 HA ILE 3 0.252 -2.150 -6.898 17 HB ILE 3 HB ILE 3 0.575 0.181 -6.011 18 HG12 ILE 3 HG12 ILE 3 0.719 -1.238 -3.343 19 HG13 ILE 3 HG13 ILE 3 2.087 -0.475 -4.145 20 HG21 ILE 3 HG21 ILE 3 -1.532 0.196 -4.744 21 HG22 ILE 3 HG22 ILE 3 -1.446 -1.562 -4.608 22 HG23 ILE 3 HG23 ILE 3 -1.632 -0.810 -6.192 23 HD11 ILE 3 HD11 ILE 3 1.078 1.681 -3.923 24 HD12 ILE 3 HD12 ILE 3 1.084 0.888 -2.348 25 HD13 ILE 3 HD13 ILE 3 -0.406 0.971 -3.290 26 H ASN 4 H ASN 4 1.729 -0.114 -7.515 27 HA ASN 4 HA ASN 4 4.295 -1.313 -8.094 28 HB2 ASN 4 HB2 ASN 4 4.589 0.647 -9.603 29 HB3 ASN 4 HB3 ASN 4 3.125 -0.265 -9.933 30 HD21 ASN 4 HD21 ASN 4 3.836 2.513 -10.543 31 HD22 ASN 4 HD22 ASN 4 2.586 3.483 -9.839 32 H VAL 5 H VAL 5 4.137 -0.716 -5.408 33 HA VAL 5 HA VAL 5 6.077 1.485 -5.178 34 HB VAL 5 HB VAL 5 3.849 0.881 -3.221 35 HG11 VAL 5 HG11 VAL 5 4.609 2.838 -1.988 36 HG12 VAL 5 HG12 VAL 5 5.943 3.052 -3.124 37 HG13 VAL 5 HG13 VAL 5 5.893 1.629 -2.082 38 HG21 VAL 5 HG21 VAL 5 3.241 3.265 -3.822 39 HG22 VAL 5 HG22 VAL 5 2.871 2.016 -5.007 40 HG23 VAL 5 HG23 VAL 5 4.277 3.060 -5.227 41 H LYS 6 H LYS 6 7.564 1.280 -3.467 42 HA LYS 6 HA LYS 6 8.236 -1.522 -2.945 43 HB2 LYS 6 HB2 LYS 6 9.883 1.004 -2.752 44 HB3 LYS 6 HB3 LYS 6 10.479 -0.594 -2.329 45 HG2 LYS 6 HG2 LYS 6 9.463 0.185 -5.051 46 HG3 LYS 6 HG3 LYS 6 11.163 0.152 -4.580 47 HD2 LYS 6 HD2 LYS 6 10.953 -2.248 -4.072 48 HD3 LYS 6 HD3 LYS 6 9.269 -2.198 -4.598 49 HE2 LYS 6 HE2 LYS 6 10.722 -3.070 -6.355 50 HE3 LYS 6 HE3 LYS 6 9.977 -1.547 -6.836 51 HZ1 LYS 6 HZ1 LYS 6 12.010 -0.399 -6.355 52 HZ2 LYS 6 HZ2 LYS 6 12.347 -1.682 -7.400 53 HZ3 LYS 6 HZ3 LYS 6 12.729 -1.809 -5.759 54 H CYS 7 H CYS 7 8.814 -2.257 -0.907 55 HA CYS 7 HA CYS 7 7.160 -1.169 1.176 56 HB2 CYS 7 HB2 CYS 7 7.247 -3.563 0.836 57 HB3 CYS 7 HB3 CYS 7 8.985 -3.578 1.080 58 H LYS 8 H LYS 8 8.896 0.808 0.813 59 HA LYS 8 HA LYS 8 10.794 0.618 3.009 60 HB2 LYS 8 HB2 LYS 8 10.189 2.816 1.024 61 HB3 LYS 8 HB3 LYS 8 11.240 3.050 2.409 62 HG2 LYS 8 HG2 LYS 8 11.702 0.988 0.264 63 HG3 LYS 8 HG3 LYS 8 12.452 2.585 0.305 64 HD2 LYS 8 HD2 LYS 8 13.368 1.997 2.564 65 HD3 LYS 8 HD3 LYS 8 12.773 0.357 2.311 66 HE2 LYS 8 HE2 LYS 8 14.708 1.771 0.484 67 HE3 LYS 8 HE3 LYS 8 15.182 0.664 1.769 68 HZ1 LYS 8 HZ1 LYS 8 13.476 -0.027 -0.562 69 HZ2 LYS 8 HZ2 LYS 8 13.945 -1.089 0.666 70 HZ3 LYS 8 HZ3 LYS 8 15.105 -0.438 -0.375 71 H HIS 9 H HIS 9 9.775 0.629 4.899 72 HA HIS 9 HA HIS 9 8.658 1.398 6.720 73 HB2 HIS 9 HB2 HIS 9 7.890 3.965 5.379 74 HB3 HIS 9 HB3 HIS 9 8.341 3.674 7.052 75 HD1 HIS 9 HD1 HIS 9 9.732 4.410 3.707 76 HD2 HIS 9 HD2 HIS 9 11.141 3.736 7.550 77 HE1 HIS 9 HE1 HIS 9 12.156 4.995 3.623 78 HE2 HIS 9 HE2 HIS 9 13.032 4.457 5.930 79 H SER 10 H SER 10 6.787 0.523 7.232 80 HA SER 10 HA SER 10 4.804 -0.098 5.357 81 HB2 SER 10 HB2 SER 10 3.453 -0.665 7.475 82 HB3 SER 10 HB3 SER 10 4.973 -1.523 7.219 83 HG SER 10 HG SER 10 5.662 -0.714 9.012 84 H GLY 11 H GLY 11 5.173 2.665 7.443 85 HA2 GLY 11 HA2 GLY 11 2.480 3.576 7.313 86 HA3 GLY 11 HA3 GLY 11 3.879 4.536 7.770 87 H GLN 12 H GLN 12 5.089 3.678 5.078 88 HA GLN 12 HA GLN 12 4.207 6.025 3.676 89 HB2 GLN 12 HB2 GLN 12 6.545 5.464 3.594 90 HB3 GLN 12 HB3 GLN 12 6.198 3.864 2.949 91 HG2 GLN 12 HG2 GLN 12 5.351 4.877 0.900 92 HG3 GLN 12 HG3 GLN 12 5.679 6.478 1.559 93 HE21 GLN 12 HE21 GLN 12 8.167 5.780 2.791 94 HE22 GLN 12 HE22 GLN 12 9.316 5.570 1.516 95 H CYS 13 H CYS 13 3.643 2.590 3.465 96 HA CYS 13 HA CYS 13 2.752 2.514 0.785 97 HB2 CYS 13 HB2 CYS 13 2.189 0.642 3.090 98 HB3 CYS 13 HB3 CYS 13 1.775 0.306 1.414 99 H LEU 14 H LEU 14 1.255 3.661 3.628 100 HA LEU 14 HA LEU 14 -1.452 3.130 3.026 101 HB2 LEU 14 HB2 LEU 14 0.031 4.686 4.955 102 HB3 LEU 14 HB3 LEU 14 -1.398 5.541 4.430 103 HG LEU 14 HG LEU 14 -1.795 4.237 6.469 104 HD11 LEU 14 HD11 LEU 14 -3.219 3.354 3.983 105 HD12 LEU 14 HD12 LEU 14 -3.685 4.642 5.090 106 HD13 LEU 14 HD13 LEU 14 -3.772 2.958 5.608 107 HD21 LEU 14 HD21 LEU 14 -1.289 1.807 4.751 108 HD22 LEU 14 HD22 LEU 14 -1.761 1.830 6.452 109 HD23 LEU 14 HD23 LEU 14 -0.173 2.428 5.972 110 H LYS 15 H LYS 15 0.737 5.686 2.057 111 HA LYS 15 HA LYS 15 -1.231 7.513 1.181 112 HB2 LYS 15 HB2 LYS 15 1.711 7.267 0.658 113 HB3 LYS 15 HB3 LYS 15 0.749 8.475 -0.175 114 HG2 LYS 15 HG2 LYS 15 1.796 9.496 1.714 115 HG3 LYS 15 HG3 LYS 15 0.066 9.382 2.029 116 HD2 LYS 15 HD2 LYS 15 0.425 7.442 3.444 117 HD3 LYS 15 HD3 LYS 15 2.150 7.464 3.072 118 HE2 LYS 15 HE2 LYS 15 1.708 8.462 5.256 119 HE3 LYS 15 HE3 LYS 15 2.358 9.652 4.132 120 HZ1 LYS 15 HZ1 LYS 15 -0.516 9.334 4.794 121 HZ2 LYS 15 HZ2 LYS 15 0.151 10.517 3.788 122 HZ3 LYS 15 HZ3 LYS 15 0.504 10.516 5.440 123 HA PRO 16 HA PRO 16 -0.470 6.006 -3.282 124 HB2 PRO 16 HB2 PRO 16 0.821 3.650 -3.704 125 HB3 PRO 16 HB3 PRO 16 1.634 5.214 -3.669 126 HG2 PRO 16 HG2 PRO 16 1.488 3.108 -1.567 127 HG3 PRO 16 HG3 PRO 16 2.830 4.179 -1.997 128 HD2 PRO 16 HD2 PRO 16 1.189 4.570 0.159 129 HD3 PRO 16 HD3 PRO 16 2.068 5.867 -0.671 130 H CYS 17 H CYS 17 -1.201 3.765 -0.730 131 HA CYS 17 HA CYS 17 -2.768 2.008 -2.334 132 HB2 CYS 17 HB2 CYS 17 -2.345 2.380 0.608 133 HB3 CYS 17 HB3 CYS 17 -3.593 1.308 0.008 134 H LYS 18 H LYS 18 -3.480 4.802 -0.240 135 HA LYS 18 HA LYS 18 -6.298 4.573 -0.522 136 HB2 LYS 18 HB2 LYS 18 -6.440 6.752 0.442 137 HB3 LYS 18 HB3 LYS 18 -5.137 5.912 1.265 138 HG2 LYS 18 HG2 LYS 18 -3.493 7.178 0.198 139 HG3 LYS 18 HG3 LYS 18 -4.607 7.732 -1.053 140 HD2 LYS 18 HD2 LYS 18 -5.849 8.995 0.686 141 HD3 LYS 18 HD3 LYS 18 -4.624 8.513 1.861 142 HE2 LYS 18 HE2 LYS 18 -2.916 9.682 0.647 143 HE3 LYS 18 HE3 LYS 18 -4.028 10.026 -0.676 144 HZ1 LYS 18 HZ1 LYS 18 -4.266 11.063 2.093 145 HZ2 LYS 18 HZ2 LYS 18 -5.328 11.398 0.823 146 HZ3 LYS 18 HZ3 LYS 18 -3.731 11.943 0.753 147 H LYS 19 H LYS 19 -3.752 5.867 -2.464 148 HA LYS 19 HA LYS 19 -5.424 7.452 -4.182 149 HB2 LYS 19 HB2 LYS 19 -2.629 6.377 -4.647 150 HB3 LYS 19 HB3 LYS 19 -3.431 7.601 -5.621 151 HG2 LYS 19 HG2 LYS 19 -3.463 9.117 -3.714 152 HG3 LYS 19 HG3 LYS 19 -2.694 7.882 -2.714 153 HD2 LYS 19 HD2 LYS 19 -0.760 7.901 -4.269 154 HD3 LYS 19 HD3 LYS 19 -1.521 9.227 -5.147 155 HE2 LYS 19 HE2 LYS 19 -1.478 10.581 -3.091 156 HE3 LYS 19 HE3 LYS 19 -0.670 9.258 -2.253 157 HZ1 LYS 19 HZ1 LYS 19 1.171 9.459 -3.825 158 HZ2 LYS 19 HZ2 LYS 19 0.924 10.897 -2.976 159 HZ3 LYS 19 HZ3 LYS 19 0.402 10.764 -4.578 160 H ALA 20 H ALA 20 -4.475 4.193 -3.870 161 HA ALA 20 HA ALA 20 -5.203 3.384 -6.545 162 HB1 ALA 20 HB1 ALA 20 -4.447 1.849 -4.059 163 HB2 ALA 20 HB2 ALA 20 -3.454 2.149 -5.490 164 HB3 ALA 20 HB3 ALA 20 -4.855 1.082 -5.597 165 H GLY 21 H GLY 21 -6.903 4.289 -3.860 166 HA2 GLY 21 HA2 GLY 21 -9.215 4.290 -3.590 167 HA3 GLY 21 HA3 GLY 21 -9.343 3.103 -4.880 168 H MET 22 H MET 22 -7.034 2.299 -2.535 169 HA MET 22 HA MET 22 -8.805 0.179 -1.593 170 HB2 MET 22 HB2 MET 22 -5.805 0.475 -1.496 171 HB3 MET 22 HB3 MET 22 -6.675 -0.846 -0.740 172 HG2 MET 22 HG2 MET 22 -6.598 -0.188 -3.670 173 HG3 MET 22 HG3 MET 22 -5.840 -1.563 -2.863 174 HE1 MET 22 HE1 MET 22 -7.799 -1.752 -5.436 175 HE2 MET 22 HE2 MET 22 -8.738 -3.178 -4.997 176 HE3 MET 22 HE3 MET 22 -7.000 -3.143 -4.706 177 H ARG 23 H ARG 23 -8.072 -0.568 0.780 178 HA ARG 23 HA ARG 23 -9.039 1.659 2.353 179 HB2 ARG 23 HB2 ARG 23 -9.906 -0.691 2.560 180 HB3 ARG 23 HB3 ARG 23 -8.379 -1.126 3.306 181 HG2 ARG 23 HG2 ARG 23 -8.875 -0.092 5.256 182 HG3 ARG 23 HG3 ARG 23 -9.843 1.159 4.476 183 HD2 ARG 23 HD2 ARG 23 -11.165 -0.424 5.873 184 HD3 ARG 23 HD3 ARG 23 -11.681 -0.349 4.190 185 HE ARG 23 HE ARG 23 -9.851 -2.477 5.030 186 HH11 ARG 23 HH11 ARG 23 -13.049 -1.493 4.003 187 HH12 ARG 23 HH12 ARG 23 -13.556 -3.102 3.605 188 HH21 ARG 23 HH21 ARG 23 -10.517 -4.591 4.514 189 HH22 ARG 23 HH22 ARG 23 -12.114 -4.867 3.892 190 H PHE 24 H PHE 24 -6.434 -0.667 3.159 191 HA PHE 24 HA PHE 24 -4.842 1.633 4.063 192 HB2 PHE 24 HB2 PHE 24 -4.060 -0.939 5.223 193 HB3 PHE 24 HB3 PHE 24 -4.292 0.616 6.007 194 HD1 PHE 24 HD1 PHE 24 -5.902 -2.469 4.924 195 HD2 PHE 24 HD2 PHE 24 -6.337 1.120 7.149 196 HE1 PHE 24 HE1 PHE 24 -7.941 -3.361 5.930 197 HE2 PHE 24 HE2 PHE 24 -8.390 0.231 8.184 198 HZ PHE 24 HZ PHE 24 -9.194 -2.017 7.581 199 H GLY 25 H GLY 25 -2.458 0.634 4.372 200 HA2 GLY 25 HA2 GLY 25 -1.761 -0.844 1.940 201 HA3 GLY 25 HA3 GLY 25 -0.971 0.689 2.287 202 H LYS 26 H LYS 26 -1.006 -2.651 2.850 203 HA LYS 26 HA LYS 26 0.643 -2.540 5.234 204 HB2 LYS 26 HB2 LYS 26 -1.108 -4.326 4.773 205 HB3 LYS 26 HB3 LYS 26 -0.024 -4.943 3.536 206 HG2 LYS 26 HG2 LYS 26 1.674 -5.398 5.201 207 HG3 LYS 26 HG3 LYS 26 0.641 -4.719 6.460 208 HD2 LYS 26 HD2 LYS 26 -1.038 -6.450 5.989 209 HD3 LYS 26 HD3 LYS 26 0.033 -7.143 4.771 210 HE2 LYS 26 HE2 LYS 26 1.701 -7.606 6.477 211 HE3 LYS 26 HE3 LYS 26 0.679 -6.856 7.702 212 HZ1 LYS 26 HZ1 LYS 26 0.513 -9.279 7.715 213 HZ2 LYS 26 HZ2 LYS 26 -0.048 -9.261 6.121 214 HZ3 LYS 26 HZ3 LYS 26 -0.972 -8.559 7.348 215 H CYS 27 H CYS 27 2.770 -3.522 5.267 216 HA CYS 27 HA CYS 27 4.214 -2.917 2.795 217 HB2 CYS 27 HB2 CYS 27 4.762 -2.132 5.317 218 HB3 CYS 27 HB3 CYS 27 5.699 -3.620 5.267 219 H ILE 28 H ILE 28 4.557 -4.575 1.493 220 HA ILE 28 HA ILE 28 4.500 -7.267 2.646 221 HB ILE 28 HB ILE 28 2.849 -6.254 0.779 222 HG12 ILE 28 HG12 ILE 28 2.314 -8.570 0.139 223 HG13 ILE 28 HG13 ILE 28 3.804 -9.118 0.898 224 HG21 ILE 28 HG21 ILE 28 5.025 -7.584 -0.815 225 HG22 ILE 28 HG22 ILE 28 4.565 -5.883 -0.875 226 HG23 ILE 28 HG23 ILE 28 3.437 -7.122 -1.427 227 HD11 ILE 28 HD11 ILE 28 1.577 -7.701 2.346 228 HD12 ILE 28 HD12 ILE 28 3.001 -8.458 3.059 229 HD13 ILE 28 HD13 ILE 28 1.776 -9.452 2.278 230 H ASN 29 H ASN 29 5.693 -8.846 0.973 231 HA ASN 29 HA ASN 29 8.398 -8.524 1.386 232 HB2 ASN 29 HB2 ASN 29 7.263 -10.092 -0.930 233 HB3 ASN 29 HB3 ASN 29 8.736 -10.417 -0.024 234 HD21 ASN 29 HD21 ASN 29 5.316 -10.750 -0.143 235 HD22 ASN 29 HD22 ASN 29 5.152 -11.775 1.243 236 H GLY 30 H GLY 30 8.965 -6.402 0.760 237 HA2 GLY 30 HA2 GLY 30 10.336 -5.177 -0.670 238 HA3 GLY 30 HA3 GLY 30 9.937 -6.287 -1.970 239 H LYS 31 H LYS 31 6.972 -5.701 -0.999 240 HA LYS 31 HA LYS 31 6.733 -3.307 -2.716 241 HB2 LYS 31 HB2 LYS 31 4.967 -5.763 -2.789 242 HB3 LYS 31 HB3 LYS 31 4.734 -4.310 -3.745 243 HG2 LYS 31 HG2 LYS 31 6.765 -4.723 -4.962 244 HG3 LYS 31 HG3 LYS 31 7.145 -6.102 -3.925 245 HD2 LYS 31 HD2 LYS 31 5.127 -7.245 -4.710 246 HD3 LYS 31 HD3 LYS 31 4.746 -5.867 -5.743 247 HE2 LYS 31 HE2 LYS 31 7.233 -7.562 -5.947 248 HE3 LYS 31 HE3 LYS 31 5.809 -7.724 -6.972 249 HZ1 LYS 31 HZ1 LYS 31 7.554 -5.330 -6.782 250 HZ2 LYS 31 HZ2 LYS 31 6.165 -5.452 -7.740 251 HZ3 LYS 31 HZ3 LYS 31 7.505 -6.429 -8.063 252 H CYS 32 H CYS 32 4.316 -2.498 -2.573 253 HA CYS 32 HA CYS 32 3.467 -2.654 0.236 254 HB2 CYS 32 HB2 CYS 32 2.823 -0.591 -1.888 255 HB3 CYS 32 HB3 CYS 32 2.103 -0.620 -0.282 256 H ASP 33 H ASP 33 1.799 -3.912 0.678 257 HA ASP 33 HA ASP 33 -0.003 -4.666 -1.512 258 HB2 ASP 33 HB2 ASP 33 1.088 -6.532 -0.448 259 HB3 ASP 33 HB3 ASP 33 0.529 -6.020 1.138 260 H CYS 34 H CYS 34 -1.673 -3.457 -1.609 261 HA CYS 34 HA CYS 34 -2.725 -2.055 0.684 262 HB2 CYS 34 HB2 CYS 34 -3.906 -2.193 -2.086 263 HB3 CYS 34 HB3 CYS 34 -4.183 -0.959 -0.865 264 H THR 35 H THR 35 -4.650 -2.423 1.713 265 HA THR 35 HA THR 35 -5.841 -5.045 1.299 266 HB THR 35 HB THR 35 -6.664 -2.973 3.324 267 HG1 THR 35 HG1 THR 35 -4.472 -4.785 3.324 268 HG21 THR 35 HG21 THR 35 -8.176 -4.850 3.144 269 HG22 THR 35 HG22 THR 35 -7.259 -4.991 4.645 270 HG23 THR 35 HG23 THR 35 -6.833 -5.988 3.254 271 HA PRO 36 HA PRO 36 -8.856 -3.044 -1.267 272 HB2 PRO 36 HB2 PRO 36 -10.298 -5.305 -1.849 273 HB3 PRO 36 HB3 PRO 36 -8.842 -4.789 -2.692 274 HG2 PRO 36 HG2 PRO 36 -9.237 -6.990 -0.809 275 HG3 PRO 36 HG3 PRO 36 -7.934 -6.731 -1.977 276 HD2 PRO 36 HD2 PRO 36 -7.862 -6.328 0.825 277 HD3 PRO 36 HD3 PRO 36 -6.593 -5.950 -0.349 278 H LYS 37 H LYS 37 -10.410 -1.869 -0.494 279 HA LYS 37 HA LYS 37 -11.876 -2.464 1.825 280 HB2 LYS 37 HB2 LYS 37 -13.313 -0.485 1.082 281 HB3 LYS 37 HB3 LYS 37 -11.616 -0.180 1.396 282 HG2 LYS 37 HG2 LYS 37 -12.005 1.026 -0.531 283 HG3 LYS 37 HG3 LYS 37 -11.331 -0.473 -1.160 284 HD2 LYS 37 HD2 LYS 37 -13.605 -1.287 -1.605 285 HD3 LYS 37 HD3 LYS 37 -14.257 0.240 -1.010 286 HE2 LYS 37 HE2 LYS 37 -12.412 -0.090 -3.375 287 HE3 LYS 37 HE3 LYS 37 -14.151 0.180 -3.459 288 HZ1 LYS 37 HZ1 LYS 37 -13.793 2.309 -2.304 289 HZ2 LYS 37 HZ2 LYS 37 -13.007 2.236 -3.799 290 HZ3 LYS 37 HZ3 LYS 37 -12.119 2.052 -2.373 Start of MODEL 16 1 H1 VAL 1 H1 VAL 1 -3.293 -8.534 -4.228 2 H2 VAL 1 H2 VAL 1 -4.468 -7.942 -3.172 3 H3 VAL 1 H3 VAL 1 -2.839 -7.545 -2.928 4 HA VAL 1 HA VAL 1 -4.479 -6.746 -5.255 5 HB VAL 1 HB VAL 1 -3.592 -5.190 -2.828 6 HG11 VAL 1 HG11 VAL 1 -3.183 -3.841 -4.832 7 HG12 VAL 1 HG12 VAL 1 -4.541 -3.206 -3.904 8 HG13 VAL 1 HG13 VAL 1 -4.835 -4.136 -5.371 9 HG21 VAL 1 HG21 VAL 1 -6.031 -4.720 -2.684 10 HG22 VAL 1 HG22 VAL 1 -5.633 -6.426 -2.515 11 HG23 VAL 1 HG23 VAL 1 -6.282 -5.820 -4.037 12 H GLY 2 H GLY 2 -1.556 -5.696 -3.470 13 HA2 GLY 2 HA2 GLY 2 0.580 -5.290 -4.208 14 HA3 GLY 2 HA3 GLY 2 0.204 -6.256 -5.625 15 H ILE 3 H ILE 3 1.115 -3.260 -4.615 16 HA ILE 3 HA ILE 3 0.168 -2.038 -7.126 17 HB ILE 3 HB ILE 3 0.493 0.168 -6.017 18 HG12 ILE 3 HG12 ILE 3 0.733 -1.470 -3.484 19 HG13 ILE 3 HG13 ILE 3 2.065 -0.626 -4.266 20 HG21 ILE 3 HG21 ILE 3 -1.548 0.053 -4.619 21 HG22 ILE 3 HG22 ILE 3 -1.492 -1.705 -4.744 22 HG23 ILE 3 HG23 ILE 3 -1.729 -0.725 -6.191 23 HD11 ILE 3 HD11 ILE 3 1.058 1.495 -3.819 24 HD12 ILE 3 HD12 ILE 3 1.117 0.567 -2.322 25 HD13 ILE 3 HD13 ILE 3 -0.403 0.723 -3.204 26 H ASN 4 H ASN 4 1.721 -0.321 -7.904 27 HA ASN 4 HA ASN 4 4.383 -1.440 -7.981 28 HB2 ASN 4 HB2 ASN 4 3.205 -0.429 -9.986 29 HB3 ASN 4 HB3 ASN 4 3.452 1.145 -9.240 30 HD21 ASN 4 HD21 ASN 4 5.658 1.821 -8.840 31 HD22 ASN 4 HD22 ASN 4 6.911 1.268 -9.908 32 H VAL 5 H VAL 5 4.486 -1.023 -5.563 33 HA VAL 5 HA VAL 5 6.046 1.396 -5.164 34 HB VAL 5 HB VAL 5 3.776 0.718 -3.277 35 HG11 VAL 5 HG11 VAL 5 4.477 3.147 -2.551 36 HG12 VAL 5 HG12 VAL 5 6.033 2.642 -3.204 37 HG13 VAL 5 HG13 VAL 5 5.281 1.724 -1.898 38 HG21 VAL 5 HG21 VAL 5 2.757 2.833 -3.980 39 HG22 VAL 5 HG22 VAL 5 2.881 1.693 -5.321 40 HG23 VAL 5 HG23 VAL 5 4.019 3.034 -5.195 41 H LYS 6 H LYS 6 7.759 1.012 -3.859 42 HA LYS 6 HA LYS 6 8.064 -1.667 -2.786 43 HB2 LYS 6 HB2 LYS 6 9.979 0.673 -2.843 44 HB3 LYS 6 HB3 LYS 6 10.379 -0.947 -2.288 45 HG2 LYS 6 HG2 LYS 6 9.910 -1.822 -4.529 46 HG3 LYS 6 HG3 LYS 6 9.547 -0.186 -5.080 47 HD2 LYS 6 HD2 LYS 6 11.828 0.506 -4.538 48 HD3 LYS 6 HD3 LYS 6 12.194 -1.126 -3.977 49 HE2 LYS 6 HE2 LYS 6 13.038 -0.819 -6.224 50 HE3 LYS 6 HE3 LYS 6 11.716 -1.986 -6.231 51 HZ1 LYS 6 HZ1 LYS 6 11.550 -0.415 -8.064 52 HZ2 LYS 6 HZ2 LYS 6 11.478 0.877 -6.976 53 HZ3 LYS 6 HZ3 LYS 6 10.233 -0.263 -7.016 54 H CYS 7 H CYS 7 8.156 -2.197 -0.651 55 HA CYS 7 HA CYS 7 6.803 -0.509 1.175 56 HB2 CYS 7 HB2 CYS 7 6.504 -2.792 1.592 57 HB3 CYS 7 HB3 CYS 7 8.226 -3.141 1.454 58 H LYS 8 H LYS 8 7.860 1.397 1.621 59 HA LYS 8 HA LYS 8 10.513 1.254 2.794 60 HB2 LYS 8 HB2 LYS 8 8.668 3.639 2.510 61 HB3 LYS 8 HB3 LYS 8 10.378 3.677 2.917 62 HG2 LYS 8 HG2 LYS 8 9.213 2.773 0.290 63 HG3 LYS 8 HG3 LYS 8 9.995 4.324 0.601 64 HD2 LYS 8 HD2 LYS 8 12.090 3.210 1.081 65 HD3 LYS 8 HD3 LYS 8 11.324 1.631 0.897 66 HE2 LYS 8 HE2 LYS 8 10.874 2.098 -1.443 67 HE3 LYS 8 HE3 LYS 8 11.562 3.711 -1.273 68 HZ1 LYS 8 HZ1 LYS 8 13.692 2.669 -0.715 69 HZ2 LYS 8 HZ2 LYS 8 13.161 2.238 -2.262 70 HZ3 LYS 8 HZ3 LYS 8 13.017 1.141 -0.980 71 H HIS 9 H HIS 9 7.203 2.189 3.650 72 HA HIS 9 HA HIS 9 7.583 1.264 6.384 73 HB2 HIS 9 HB2 HIS 9 6.560 4.074 5.886 74 HB3 HIS 9 HB3 HIS 9 6.914 3.324 7.437 75 HD1 HIS 9 HD1 HIS 9 8.539 4.953 4.506 76 HD2 HIS 9 HD2 HIS 9 9.629 3.340 8.176 77 HE1 HIS 9 HE1 HIS 9 10.963 5.492 4.774 78 HE2 HIS 9 HE2 HIS 9 11.591 4.603 7.050 79 H SER 10 H SER 10 5.715 0.431 7.176 80 HA SER 10 HA SER 10 3.613 -0.133 5.410 81 HB2 SER 10 HB2 SER 10 2.479 -0.997 7.517 82 HB3 SER 10 HB3 SER 10 4.067 -1.676 7.161 83 HG SER 10 HG SER 10 4.282 -1.123 9.226 84 H GLY 11 H GLY 11 3.994 2.348 7.869 85 HA2 GLY 11 HA2 GLY 11 1.293 3.275 7.739 86 HA3 GLY 11 HA3 GLY 11 2.657 4.141 8.432 87 H GLN 12 H GLN 12 4.215 3.958 5.953 88 HA GLN 12 HA GLN 12 3.215 6.365 4.743 89 HB2 GLN 12 HB2 GLN 12 5.654 5.866 5.098 90 HB3 GLN 12 HB3 GLN 12 5.534 4.647 3.837 91 HG2 GLN 12 HG2 GLN 12 4.827 6.426 2.263 92 HG3 GLN 12 HG3 GLN 12 5.110 7.608 3.540 93 HE21 GLN 12 HE21 GLN 12 6.561 5.440 1.270 94 HE22 GLN 12 HE22 GLN 12 8.180 6.030 1.435 95 H CYS 13 H CYS 13 2.903 3.027 4.203 96 HA CYS 13 HA CYS 13 2.589 3.016 1.387 97 HB2 CYS 13 HB2 CYS 13 2.440 1.117 3.571 98 HB3 CYS 13 HB3 CYS 13 1.174 0.834 2.382 99 H LEU 14 H LEU 14 0.581 4.105 3.878 100 HA LEU 14 HA LEU 14 -1.952 3.556 2.738 101 HB2 LEU 14 HB2 LEU 14 -0.913 5.430 4.805 102 HB3 LEU 14 HB3 LEU 14 -2.515 5.707 4.156 103 HG LEU 14 HG LEU 14 -3.182 3.434 4.859 104 HD11 LEU 14 HD11 LEU 14 -1.780 2.020 6.104 105 HD12 LEU 14 HD12 LEU 14 -0.567 3.274 6.327 106 HD13 LEU 14 HD13 LEU 14 -0.805 2.549 4.738 107 HD21 LEU 14 HD21 LEU 14 -3.585 5.326 6.340 108 HD22 LEU 14 HD22 LEU 14 -1.987 5.116 7.058 109 HD23 LEU 14 HD23 LEU 14 -3.218 3.869 7.263 110 H LYS 15 H LYS 15 0.365 6.122 2.354 111 HA LYS 15 HA LYS 15 -1.203 8.009 1.056 112 HB2 LYS 15 HB2 LYS 15 1.738 7.450 0.727 113 HB3 LYS 15 HB3 LYS 15 0.925 8.873 0.095 114 HG2 LYS 15 HG2 LYS 15 0.256 9.454 2.410 115 HG3 LYS 15 HG3 LYS 15 1.222 8.093 2.985 116 HD2 LYS 15 HD2 LYS 15 3.222 9.088 2.002 117 HD3 LYS 15 HD3 LYS 15 2.261 10.440 1.399 118 HE2 LYS 15 HE2 LYS 15 1.644 10.974 3.743 119 HE3 LYS 15 HE3 LYS 15 2.733 9.698 4.282 120 HZ1 LYS 15 HZ1 LYS 15 3.822 11.822 4.405 121 HZ2 LYS 15 HZ2 LYS 15 3.495 12.139 2.780 122 HZ3 LYS 15 HZ3 LYS 15 4.560 10.895 3.196 123 HA PRO 16 HA PRO 16 -0.244 6.135 -3.214 124 HB2 PRO 16 HB2 PRO 16 0.888 3.679 -3.411 125 HB3 PRO 16 HB3 PRO 16 1.821 5.177 -3.390 126 HG2 PRO 16 HG2 PRO 16 1.355 3.204 -1.209 127 HG3 PRO 16 HG3 PRO 16 2.807 4.145 -1.584 128 HD2 PRO 16 HD2 PRO 16 1.031 4.775 0.417 129 HD3 PRO 16 HD3 PRO 16 2.095 5.945 -0.382 130 H CYS 17 H CYS 17 -1.197 3.977 -0.615 131 HA CYS 17 HA CYS 17 -2.771 2.276 -2.266 132 HB2 CYS 17 HB2 CYS 17 -2.414 2.604 0.687 133 HB3 CYS 17 HB3 CYS 17 -3.654 1.553 0.036 134 H LYS 18 H LYS 18 -3.439 5.166 -0.340 135 HA LYS 18 HA LYS 18 -6.262 5.001 -0.566 136 HB2 LYS 18 HB2 LYS 18 -6.294 7.316 0.103 137 HB3 LYS 18 HB3 LYS 18 -5.063 6.491 1.044 138 HG2 LYS 18 HG2 LYS 18 -3.322 7.420 -0.300 139 HG3 LYS 18 HG3 LYS 18 -4.493 8.104 -1.427 140 HD2 LYS 18 HD2 LYS 18 -3.680 9.853 0.012 141 HD3 LYS 18 HD3 LYS 18 -5.360 9.520 0.427 142 HE2 LYS 18 HE2 LYS 18 -4.686 8.248 2.354 143 HE3 LYS 18 HE3 LYS 18 -2.990 8.375 1.894 144 HZ1 LYS 18 HZ1 LYS 18 -3.151 10.783 2.197 145 HZ2 LYS 18 HZ2 LYS 18 -3.506 9.949 3.622 146 HZ3 LYS 18 HZ3 LYS 18 -4.756 10.620 2.705 147 H LYS 19 H LYS 19 -3.715 5.937 -2.687 148 HA LYS 19 HA LYS 19 -5.458 7.278 -4.581 149 HB2 LYS 19 HB2 LYS 19 -2.548 6.477 -4.826 150 HB3 LYS 19 HB3 LYS 19 -3.422 7.515 -5.941 151 HG2 LYS 19 HG2 LYS 19 -2.794 8.122 -3.060 152 HG3 LYS 19 HG3 LYS 19 -2.014 8.826 -4.475 153 HD2 LYS 19 HD2 LYS 19 -4.919 9.129 -3.710 154 HD3 LYS 19 HD3 LYS 19 -3.664 10.357 -3.534 155 HE2 LYS 19 HE2 LYS 19 -3.340 10.345 -5.971 156 HE3 LYS 19 HE3 LYS 19 -4.630 9.156 -6.126 157 HZ1 LYS 19 HZ1 LYS 19 -6.155 10.776 -5.144 158 HZ2 LYS 19 HZ2 LYS 19 -5.465 11.346 -6.575 159 HZ3 LYS 19 HZ3 LYS 19 -4.909 11.918 -5.085 160 H ALA 20 H ALA 20 -4.577 4.182 -3.760 161 HA ALA 20 HA ALA 20 -4.969 3.052 -6.421 162 HB1 ALA 20 HB1 ALA 20 -4.295 1.786 -3.768 163 HB2 ALA 20 HB2 ALA 20 -3.192 2.086 -5.114 164 HB3 ALA 20 HB3 ALA 20 -4.483 0.895 -5.280 165 H GLY 21 H GLY 21 -6.862 4.174 -4.013 166 HA2 GLY 21 HA2 GLY 21 -9.139 4.024 -3.701 167 HA3 GLY 21 HA3 GLY 21 -9.191 2.823 -4.982 168 H MET 22 H MET 22 -7.034 2.371 -2.307 169 HA MET 22 HA MET 22 -8.747 0.148 -1.428 170 HB2 MET 22 HB2 MET 22 -5.746 0.438 -1.318 171 HB3 MET 22 HB3 MET 22 -6.639 -0.888 -0.589 172 HG2 MET 22 HG2 MET 22 -6.531 -0.207 -3.516 173 HG3 MET 22 HG3 MET 22 -5.721 -1.551 -2.716 174 HE1 MET 22 HE1 MET 22 -6.754 -3.220 -4.502 175 HE2 MET 22 HE2 MET 22 -7.578 -1.876 -5.293 176 HE3 MET 22 HE3 MET 22 -8.479 -3.327 -4.856 177 H ARG 23 H ARG 23 -7.891 -0.527 0.959 178 HA ARG 23 HA ARG 23 -8.899 1.715 2.480 179 HB2 ARG 23 HB2 ARG 23 -9.675 -0.675 2.749 180 HB3 ARG 23 HB3 ARG 23 -8.135 -1.006 3.528 181 HG2 ARG 23 HG2 ARG 23 -8.702 0.076 5.426 182 HG3 ARG 23 HG3 ARG 23 -9.692 1.265 4.584 183 HD2 ARG 23 HD2 ARG 23 -11.043 -0.226 5.990 184 HD3 ARG 23 HD3 ARG 23 -11.457 -0.371 4.284 185 HE ARG 23 HE ARG 23 -9.534 -2.317 4.997 186 HH11 ARG 23 HH11 ARG 23 -12.923 -1.538 5.317 187 HH12 ARG 23 HH12 ARG 23 -13.412 -3.180 5.587 188 HH21 ARG 23 HH21 ARG 23 -10.176 -4.496 5.333 189 HH22 ARG 23 HH22 ARG 23 -11.849 -4.862 5.597 190 H PHE 24 H PHE 24 -6.230 -0.526 3.280 191 HA PHE 24 HA PHE 24 -4.599 1.829 3.971 192 HB2 PHE 24 HB2 PHE 24 -3.768 -0.581 5.373 193 HB3 PHE 24 HB3 PHE 24 -4.081 1.025 6.009 194 HD1 PHE 24 HD1 PHE 24 -5.577 -2.196 5.157 195 HD2 PHE 24 HD2 PHE 24 -6.103 1.512 7.151 196 HE1 PHE 24 HE1 PHE 24 -7.579 -3.082 6.240 197 HE2 PHE 24 HE2 PHE 24 -8.113 0.634 8.264 198 HZ PHE 24 HZ PHE 24 -8.858 -1.674 7.815 199 H GLY 25 H GLY 25 -2.199 0.845 4.299 200 HA2 GLY 25 HA2 GLY 25 -1.653 -0.819 1.934 201 HA3 GLY 25 HA3 GLY 25 -0.703 0.611 2.299 202 H LYS 26 H LYS 26 -0.987 -2.702 2.715 203 HA LYS 26 HA LYS 26 0.665 -2.790 5.118 204 HB2 LYS 26 HB2 LYS 26 -1.297 -4.358 4.733 205 HB3 LYS 26 HB3 LYS 26 -0.339 -5.101 3.463 206 HG2 LYS 26 HG2 LYS 26 1.379 -5.689 5.100 207 HG3 LYS 26 HG3 LYS 26 0.396 -4.969 6.375 208 HD2 LYS 26 HD2 LYS 26 -1.373 -6.578 5.953 209 HD3 LYS 26 HD3 LYS 26 -0.453 -7.266 4.613 210 HE2 LYS 26 HE2 LYS 26 -0.223 -8.653 6.587 211 HE3 LYS 26 HE3 LYS 26 1.321 -7.910 6.178 212 HZ1 LYS 26 HZ1 LYS 26 0.938 -6.260 7.904 213 HZ2 LYS 26 HZ2 LYS 26 0.908 -7.822 8.548 214 HZ3 LYS 26 HZ3 LYS 26 -0.539 -6.982 8.298 215 H CYS 27 H CYS 27 2.655 -4.020 5.107 216 HA CYS 27 HA CYS 27 4.133 -3.585 2.640 217 HB2 CYS 27 HB2 CYS 27 4.884 -3.987 5.490 218 HB3 CYS 27 HB3 CYS 27 6.040 -4.478 4.259 219 H ILE 28 H ILE 28 4.766 -5.111 1.314 220 HA ILE 28 HA ILE 28 4.360 -7.904 2.113 221 HB ILE 28 HB ILE 28 2.894 -6.569 0.227 222 HG12 ILE 28 HG12 ILE 28 2.105 -8.760 -0.489 223 HG13 ILE 28 HG13 ILE 28 3.525 -9.525 0.221 224 HG21 ILE 28 HG21 ILE 28 4.925 -8.158 -1.325 225 HG22 ILE 28 HG22 ILE 28 4.846 -6.395 -1.262 226 HG23 ILE 28 HG23 ILE 28 3.516 -7.312 -1.971 227 HD11 ILE 28 HD11 ILE 28 1.522 -7.940 1.813 228 HD12 ILE 28 HD12 ILE 28 2.791 -9.004 2.419 229 HD13 ILE 28 HD13 ILE 28 1.412 -9.681 1.558 230 H ASN 29 H ASN 29 5.601 -9.311 0.295 231 HA ASN 29 HA ASN 29 8.275 -9.250 0.839 232 HB2 ASN 29 HB2 ASN 29 7.111 -10.172 -1.793 233 HB3 ASN 29 HB3 ASN 29 8.604 -10.727 -1.047 234 HD21 ASN 29 HD21 ASN 29 6.250 -12.209 -1.889 235 HD22 ASN 29 HD22 ASN 29 5.676 -13.038 -0.486 236 H GLY 30 H GLY 30 9.038 -7.099 0.738 237 HA2 GLY 30 HA2 GLY 30 10.429 -5.551 -0.258 238 HA3 GLY 30 HA3 GLY 30 10.284 -6.445 -1.761 239 H LYS 31 H LYS 31 7.174 -6.046 -1.118 240 HA LYS 31 HA LYS 31 7.122 -3.468 -2.558 241 HB2 LYS 31 HB2 LYS 31 5.333 -5.851 -3.066 242 HB3 LYS 31 HB3 LYS 31 5.247 -4.304 -3.893 243 HG2 LYS 31 HG2 LYS 31 7.552 -4.709 -4.746 244 HG3 LYS 31 HG3 LYS 31 7.467 -6.327 -4.044 245 HD2 LYS 31 HD2 LYS 31 5.636 -5.190 -6.158 246 HD3 LYS 31 HD3 LYS 31 6.896 -6.400 -6.405 247 HE2 LYS 31 HE2 LYS 31 5.705 -7.945 -4.934 248 HE3 LYS 31 HE3 LYS 31 4.455 -6.734 -4.664 249 HZ1 LYS 31 HZ1 LYS 31 3.749 -8.323 -6.310 250 HZ2 LYS 31 HZ2 LYS 31 5.108 -8.012 -7.261 251 HZ3 LYS 31 HZ3 LYS 31 3.943 -6.810 -7.034 252 H CYS 32 H CYS 32 4.552 -2.945 -2.737 253 HA CYS 32 HA CYS 32 3.583 -2.941 0.039 254 HB2 CYS 32 HB2 CYS 32 4.289 -0.720 -0.926 255 HB3 CYS 32 HB3 CYS 32 2.998 -0.892 -2.114 256 H ASP 33 H ASP 33 1.821 -4.115 0.341 257 HA ASP 33 HA ASP 33 -0.040 -4.442 -1.918 258 HB2 ASP 33 HB2 ASP 33 0.818 -6.581 -1.242 259 HB3 ASP 33 HB3 ASP 33 0.429 -6.267 0.445 260 H CYS 34 H CYS 34 -1.760 -3.287 -1.773 261 HA CYS 34 HA CYS 34 -2.521 -1.998 0.680 262 HB2 CYS 34 HB2 CYS 34 -3.959 -1.987 -1.968 263 HB3 CYS 34 HB3 CYS 34 -4.157 -0.836 -0.654 264 H THR 35 H THR 35 -4.369 -2.332 1.877 265 HA THR 35 HA THR 35 -5.580 -4.941 1.624 266 HB THR 35 HB THR 35 -6.324 -2.730 3.533 267 HG1 THR 35 HG1 THR 35 -4.085 -4.378 3.415 268 HG21 THR 35 HG21 THR 35 -7.902 -4.574 3.472 269 HG22 THR 35 HG22 THR 35 -6.991 -4.614 4.981 270 HG23 THR 35 HG23 THR 35 -6.589 -5.733 3.680 271 HA PRO 36 HA PRO 36 -8.794 -3.112 -0.854 272 HB2 PRO 36 HB2 PRO 36 -10.030 -5.462 -1.486 273 HB3 PRO 36 HB3 PRO 36 -8.605 -4.844 -2.311 274 HG2 PRO 36 HG2 PRO 36 -8.868 -7.087 -0.452 275 HG3 PRO 36 HG3 PRO 36 -7.578 -6.729 -1.607 276 HD2 PRO 36 HD2 PRO 36 -7.583 -6.320 1.211 277 HD3 PRO 36 HD3 PRO 36 -6.300 -5.918 0.058 278 H LYS 37 H LYS 37 -10.661 -2.274 -0.281 279 HA LYS 37 HA LYS 37 -11.853 -2.986 2.216 280 HB2 LYS 37 HB2 LYS 37 -13.513 -1.173 1.577 281 HB3 LYS 37 HB3 LYS 37 -11.836 -0.675 1.731 282 HG2 LYS 37 HG2 LYS 37 -11.586 -0.726 -0.692 283 HG3 LYS 37 HG3 LYS 37 -13.260 -1.257 -0.857 284 HD2 LYS 37 HD2 LYS 37 -14.012 0.824 0.199 285 HD3 LYS 37 HD3 LYS 37 -12.335 1.354 0.335 286 HE2 LYS 37 HE2 LYS 37 -12.105 1.331 -2.079 287 HE3 LYS 37 HE3 LYS 37 -13.748 0.715 -2.249 288 HZ1 LYS 37 HZ1 LYS 37 -13.001 3.347 -1.099 289 HZ2 LYS 37 HZ2 LYS 37 -14.575 2.756 -1.264 290 HZ3 LYS 37 HZ3 LYS 37 -13.651 3.090 -2.638 Start of MODEL 17 1 H1 VAL 1 H1 VAL 1 -5.989 -7.646 -5.589 2 H2 VAL 1 H2 VAL 1 -4.594 -8.197 -4.810 3 H3 VAL 1 H3 VAL 1 -4.516 -7.686 -6.416 4 HA VAL 1 HA VAL 1 -5.001 -5.450 -5.808 5 HB VAL 1 HB VAL 1 -5.111 -4.789 -3.433 6 HG11 VAL 1 HG11 VAL 1 -7.415 -5.423 -3.083 7 HG12 VAL 1 HG12 VAL 1 -7.252 -6.765 -4.212 8 HG13 VAL 1 HG13 VAL 1 -7.150 -5.105 -4.794 9 HG21 VAL 1 HG21 VAL 1 -3.973 -6.779 -2.544 10 HG22 VAL 1 HG22 VAL 1 -5.409 -7.739 -2.899 11 HG23 VAL 1 HG23 VAL 1 -5.489 -6.434 -1.713 12 H GLY 2 H GLY 2 -3.362 -3.958 -5.033 13 HA2 GLY 2 HA2 GLY 2 -1.101 -4.122 -3.737 14 HA3 GLY 2 HA3 GLY 2 -0.739 -5.274 -5.016 15 H ILE 3 H ILE 3 0.716 -2.864 -4.562 16 HA ILE 3 HA ILE 3 0.037 -1.407 -7.029 17 HB ILE 3 HB ILE 3 0.858 0.677 -5.893 18 HG12 ILE 3 HG12 ILE 3 0.518 -1.034 -3.418 19 HG13 ILE 3 HG13 ILE 3 2.041 -0.405 -4.037 20 HG21 ILE 3 HG21 ILE 3 -1.270 1.073 -4.698 21 HG22 ILE 3 HG22 ILE 3 -1.630 -0.647 -4.825 22 HG23 ILE 3 HG23 ILE 3 -1.494 0.335 -6.284 23 HD11 ILE 3 HD11 ILE 3 1.283 1.861 -3.614 24 HD12 ILE 3 HD12 ILE 3 1.230 0.887 -2.146 25 HD13 ILE 3 HD13 ILE 3 -0.258 1.245 -3.022 26 H ASN 4 H ASN 4 1.872 0.085 -7.634 27 HA ASN 4 HA ASN 4 4.238 -1.552 -7.967 28 HB2 ASN 4 HB2 ASN 4 4.889 0.314 -9.549 29 HB3 ASN 4 HB3 ASN 4 3.392 -0.521 -9.951 30 HD21 ASN 4 HD21 ASN 4 4.757 2.416 -8.609 31 HD22 ASN 4 HD22 ASN 4 3.349 3.395 -8.841 32 H VAL 5 H VAL 5 3.924 -0.559 -5.327 33 HA VAL 5 HA VAL 5 6.059 1.467 -5.191 34 HB VAL 5 HB VAL 5 3.853 0.993 -3.178 35 HG11 VAL 5 HG11 VAL 5 4.679 3.175 -2.253 36 HG12 VAL 5 HG12 VAL 5 6.093 3.001 -3.290 37 HG13 VAL 5 HG13 VAL 5 5.768 1.808 -2.031 38 HG21 VAL 5 HG21 VAL 5 2.955 3.125 -3.918 39 HG22 VAL 5 HG22 VAL 5 3.027 1.983 -5.260 40 HG23 VAL 5 HG23 VAL 5 4.233 3.264 -5.125 41 H LYS 6 H LYS 6 7.690 1.191 -3.666 42 HA LYS 6 HA LYS 6 8.149 -1.599 -2.984 43 HB2 LYS 6 HB2 LYS 6 9.997 0.791 -2.891 44 HB3 LYS 6 HB3 LYS 6 10.472 -0.869 -2.559 45 HG2 LYS 6 HG2 LYS 6 9.802 -1.473 -4.865 46 HG3 LYS 6 HG3 LYS 6 9.472 0.231 -5.176 47 HD2 LYS 6 HD2 LYS 6 11.790 0.789 -4.751 48 HD3 LYS 6 HD3 LYS 6 12.139 -0.884 -4.318 49 HE2 LYS 6 HE2 LYS 6 11.267 0.125 -7.022 50 HE3 LYS 6 HE3 LYS 6 12.881 -0.428 -6.582 51 HZ1 LYS 6 HZ1 LYS 6 11.862 -2.624 -6.078 52 HZ2 LYS 6 HZ2 LYS 6 11.785 -2.188 -7.706 53 HZ3 LYS 6 HZ3 LYS 6 10.409 -2.061 -6.736 54 H CYS 7 H CYS 7 8.520 -2.357 -0.970 55 HA CYS 7 HA CYS 7 7.218 -1.003 1.169 56 HB2 CYS 7 HB2 CYS 7 7.037 -3.388 1.037 57 HB3 CYS 7 HB3 CYS 7 8.784 -3.579 1.020 58 H LYS 8 H LYS 8 8.381 0.898 1.599 59 HA LYS 8 HA LYS 8 11.071 0.594 2.674 60 HB2 LYS 8 HB2 LYS 8 9.275 3.008 2.370 61 HB3 LYS 8 HB3 LYS 8 10.885 3.071 3.073 62 HG2 LYS 8 HG2 LYS 8 10.236 2.214 0.256 63 HG3 LYS 8 HG3 LYS 8 10.867 3.790 0.736 64 HD2 LYS 8 HD2 LYS 8 12.877 2.685 1.634 65 HD3 LYS 8 HD3 LYS 8 12.246 1.129 1.092 66 HE2 LYS 8 HE2 LYS 8 12.262 1.939 -1.221 67 HE3 LYS 8 HE3 LYS 8 12.911 3.484 -0.673 68 HZ1 LYS 8 HZ1 LYS 8 14.875 2.338 0.129 69 HZ2 LYS 8 HZ2 LYS 8 14.648 2.034 -1.518 70 HZ3 LYS 8 HZ3 LYS 8 14.251 0.849 -0.380 71 H HIS 9 H HIS 9 7.839 1.531 3.729 72 HA HIS 9 HA HIS 9 8.111 0.303 6.265 73 HB2 HIS 9 HB2 HIS 9 7.688 2.538 7.533 74 HB3 HIS 9 HB3 HIS 9 9.335 2.112 7.089 75 HD1 HIS 9 HD1 HIS 9 10.519 3.578 5.352 76 HD2 HIS 9 HD2 HIS 9 6.614 4.758 6.166 77 HE1 HIS 9 HE1 HIS 9 10.246 5.812 4.242 78 HE2 HIS 9 HE2 HIS 9 7.914 6.571 4.853 79 H SER 10 H SER 10 6.103 0.261 7.410 80 HA SER 10 HA SER 10 3.989 -0.221 5.720 81 HB2 SER 10 HB2 SER 10 2.598 -0.269 7.815 82 HB3 SER 10 HB3 SER 10 4.076 -1.227 7.890 83 HG SER 10 HG SER 10 3.694 0.099 9.764 84 H GLY 11 H GLY 11 4.499 2.669 7.714 85 HA2 GLY 11 HA2 GLY 11 2.070 3.946 7.154 86 HA3 GLY 11 HA3 GLY 11 3.544 4.750 7.663 87 H GLN 12 H GLN 12 4.822 3.534 5.127 88 HA GLN 12 HA GLN 12 4.372 5.850 3.496 89 HB2 GLN 12 HB2 GLN 12 6.586 4.623 3.669 90 HB3 GLN 12 HB3 GLN 12 5.857 3.339 2.720 91 HG2 GLN 12 HG2 GLN 12 5.470 4.882 0.891 92 HG3 GLN 12 HG3 GLN 12 6.200 6.186 1.827 93 HE21 GLN 12 HE21 GLN 12 6.761 3.308 -0.007 94 HE22 GLN 12 HE22 GLN 12 8.477 3.475 -0.127 95 H CYS 13 H CYS 13 3.526 2.434 3.357 96 HA CYS 13 HA CYS 13 2.589 2.494 0.680 97 HB2 CYS 13 HB2 CYS 13 2.023 0.497 2.878 98 HB3 CYS 13 HB3 CYS 13 1.723 0.245 1.165 99 H LEU 14 H LEU 14 1.222 3.532 3.605 100 HA LEU 14 HA LEU 14 -1.508 3.029 3.166 101 HB2 LEU 14 HB2 LEU 14 0.098 4.546 4.999 102 HB3 LEU 14 HB3 LEU 14 -1.278 5.502 4.503 103 HG LEU 14 HG LEU 14 -1.738 4.289 6.567 104 HD11 LEU 14 HD11 LEU 14 -3.239 3.403 4.131 105 HD12 LEU 14 HD12 LEU 14 -3.629 4.737 5.214 106 HD13 LEU 14 HD13 LEU 14 -3.787 3.072 5.772 107 HD21 LEU 14 HD21 LEU 14 -1.334 1.790 4.928 108 HD22 LEU 14 HD22 LEU 14 -1.867 1.867 6.607 109 HD23 LEU 14 HD23 LEU 14 -0.237 2.383 6.176 110 H LYS 15 H LYS 15 0.602 5.651 2.123 111 HA LYS 15 HA LYS 15 -1.482 7.378 1.280 112 HB2 LYS 15 HB2 LYS 15 1.447 7.372 0.559 113 HB3 LYS 15 HB3 LYS 15 0.325 8.671 0.185 114 HG2 LYS 15 HG2 LYS 15 -0.046 9.063 2.550 115 HG3 LYS 15 HG3 LYS 15 1.017 7.715 2.955 116 HD2 LYS 15 HD2 LYS 15 2.891 8.875 1.891 117 HD3 LYS 15 HD3 LYS 15 1.828 10.221 1.482 118 HE2 LYS 15 HE2 LYS 15 2.451 9.274 4.279 119 HE3 LYS 15 HE3 LYS 15 3.184 10.669 3.488 120 HZ1 LYS 15 HZ1 LYS 15 0.995 11.683 3.332 121 HZ2 LYS 15 HZ2 LYS 15 1.378 11.331 4.942 122 HZ3 LYS 15 HZ3 LYS 15 0.296 10.347 4.096 123 HA PRO 16 HA PRO 16 -0.548 6.033 -3.210 124 HB2 PRO 16 HB2 PRO 16 0.848 3.764 -3.680 125 HB3 PRO 16 HB3 PRO 16 1.614 5.347 -3.523 126 HG2 PRO 16 HG2 PRO 16 1.360 3.157 -1.503 127 HG3 PRO 16 HG3 PRO 16 2.757 4.187 -1.868 128 HD2 PRO 16 HD2 PRO 16 1.117 4.623 0.246 129 HD3 PRO 16 HD3 PRO 16 1.959 5.929 -0.606 130 H CYS 17 H CYS 17 -1.252 3.682 -0.728 131 HA CYS 17 HA CYS 17 -2.793 1.989 -2.450 132 HB2 CYS 17 HB2 CYS 17 -2.349 2.145 0.509 133 HB3 CYS 17 HB3 CYS 17 -3.574 1.096 -0.168 134 H LYS 18 H LYS 18 -3.495 4.580 -0.113 135 HA LYS 18 HA LYS 18 -6.323 4.338 -0.389 136 HB2 LYS 18 HB2 LYS 18 -6.424 6.478 0.779 137 HB3 LYS 18 HB3 LYS 18 -5.311 5.387 1.584 138 HG2 LYS 18 HG2 LYS 18 -3.426 6.537 0.653 139 HG3 LYS 18 HG3 LYS 18 -4.482 7.550 -0.331 140 HD2 LYS 18 HD2 LYS 18 -4.462 7.503 2.688 141 HD3 LYS 18 HD3 LYS 18 -3.608 8.688 1.699 142 HE2 LYS 18 HE2 LYS 18 -5.738 9.394 0.720 143 HE3 LYS 18 HE3 LYS 18 -6.586 8.218 1.720 144 HZ1 LYS 18 HZ1 LYS 18 -6.697 10.404 2.697 145 HZ2 LYS 18 HZ2 LYS 18 -5.011 10.530 2.706 146 HZ3 LYS 18 HZ3 LYS 18 -5.778 9.384 3.685 147 H LYS 19 H LYS 19 -3.812 5.850 -2.195 148 HA LYS 19 HA LYS 19 -5.658 7.457 -3.774 149 HB2 LYS 19 HB2 LYS 19 -2.676 7.012 -3.990 150 HB3 LYS 19 HB3 LYS 19 -3.598 8.047 -5.070 151 HG2 LYS 19 HG2 LYS 19 -4.199 9.488 -3.213 152 HG3 LYS 19 HG3 LYS 19 -3.344 8.426 -2.093 153 HD2 LYS 19 HD2 LYS 19 -1.996 10.386 -2.666 154 HD3 LYS 19 HD3 LYS 19 -1.240 8.900 -3.238 155 HE2 LYS 19 HE2 LYS 19 -2.081 9.320 -5.482 156 HE3 LYS 19 HE3 LYS 19 -2.895 10.777 -4.920 157 HZ1 LYS 19 HZ1 LYS 19 0.039 10.343 -4.840 158 HZ2 LYS 19 HZ2 LYS 19 -0.775 11.765 -4.428 159 HZ3 LYS 19 HZ3 LYS 19 -0.770 11.227 -6.031 160 H ALA 20 H ALA 20 -4.686 4.332 -3.589 161 HA ALA 20 HA ALA 20 -4.819 3.745 -6.442 162 HB1 ALA 20 HB1 ALA 20 -4.392 1.969 -4.043 163 HB2 ALA 20 HB2 ALA 20 -3.157 2.544 -5.168 164 HB3 ALA 20 HB3 ALA 20 -4.393 1.412 -5.718 165 H GLY 21 H GLY 21 -6.944 4.273 -3.980 166 HA2 GLY 21 HA2 GLY 21 -9.267 4.035 -4.039 167 HA3 GLY 21 HA3 GLY 21 -9.094 2.893 -5.363 168 H MET 22 H MET 22 -7.020 2.305 -2.738 169 HA MET 22 HA MET 22 -8.749 0.091 -1.894 170 HB2 MET 22 HB2 MET 22 -5.757 0.417 -1.587 171 HB3 MET 22 HB3 MET 22 -6.692 -0.949 -1.003 172 HG2 MET 22 HG2 MET 22 -6.372 -0.122 -3.874 173 HG3 MET 22 HG3 MET 22 -5.599 -1.493 -3.079 174 HE1 MET 22 HE1 MET 22 -7.404 -1.497 -5.801 175 HE2 MET 22 HE2 MET 22 -8.279 -3.012 -5.586 176 HE3 MET 22 HE3 MET 22 -6.563 -2.924 -5.197 177 H ARG 23 H ARG 23 -7.959 -0.568 0.519 178 HA ARG 23 HA ARG 23 -9.029 1.659 2.025 179 HB2 ARG 23 HB2 ARG 23 -9.733 -0.786 2.241 180 HB3 ARG 23 HB3 ARG 23 -8.239 -1.027 3.130 181 HG2 ARG 23 HG2 ARG 23 -8.998 0.035 4.963 182 HG3 ARG 23 HG3 ARG 23 -9.947 1.194 4.032 183 HD2 ARG 23 HD2 ARG 23 -11.271 -0.448 5.413 184 HD3 ARG 23 HD3 ARG 23 -11.703 -0.354 3.709 185 HE ARG 23 HE ARG 23 -10.270 -2.412 3.458 186 HH11 ARG 23 HH11 ARG 23 -11.893 -1.637 6.466 187 HH12 ARG 23 HH12 ARG 23 -12.016 -3.290 6.966 188 HH21 ARG 23 HH21 ARG 23 -10.442 -4.577 4.111 189 HH22 ARG 23 HH22 ARG 23 -11.189 -4.969 5.628 190 H PHE 24 H PHE 24 -6.394 -0.559 3.005 191 HA PHE 24 HA PHE 24 -4.800 1.825 3.666 192 HB2 PHE 24 HB2 PHE 24 -4.047 -0.552 5.183 193 HB3 PHE 24 HB3 PHE 24 -4.348 1.084 5.750 194 HD1 PHE 24 HD1 PHE 24 -5.827 -2.161 5.025 195 HD2 PHE 24 HD2 PHE 24 -6.467 1.683 6.709 196 HE1 PHE 24 HE1 PHE 24 -7.896 -2.969 6.033 197 HE2 PHE 24 HE2 PHE 24 -8.549 0.882 7.754 198 HZ PHE 24 HZ PHE 24 -9.270 -1.455 7.423 199 H GLY 25 H GLY 25 -2.406 0.915 4.084 200 HA2 GLY 25 HA2 GLY 25 -1.735 -0.852 1.833 201 HA3 GLY 25 HA3 GLY 25 -0.906 0.682 2.048 202 H LYS 26 H LYS 26 -0.822 -2.576 2.691 203 HA LYS 26 HA LYS 26 0.733 -2.343 5.147 204 HB2 LYS 26 HB2 LYS 26 -1.011 -4.164 4.718 205 HB3 LYS 26 HB3 LYS 26 0.146 -4.848 3.588 206 HG2 LYS 26 HG2 LYS 26 1.767 -5.121 5.381 207 HG3 LYS 26 HG3 LYS 26 0.620 -4.423 6.525 208 HD2 LYS 26 HD2 LYS 26 0.158 -6.935 4.919 209 HD3 LYS 26 HD3 LYS 26 0.676 -6.894 6.604 210 HE2 LYS 26 HE2 LYS 26 -1.915 -5.804 5.507 211 HE3 LYS 26 HE3 LYS 26 -1.722 -7.290 6.432 212 HZ1 LYS 26 HZ1 LYS 26 -1.246 -4.527 7.399 213 HZ2 LYS 26 HZ2 LYS 26 -0.890 -5.919 8.288 214 HZ3 LYS 26 HZ3 LYS 26 -2.491 -5.569 7.872 215 H CYS 27 H CYS 27 2.860 -3.189 5.294 216 HA CYS 27 HA CYS 27 4.395 -2.839 2.841 217 HB2 CYS 27 HB2 CYS 27 4.871 -2.038 5.421 218 HB3 CYS 27 HB3 CYS 27 5.845 -3.501 5.318 219 H ILE 28 H ILE 28 4.738 -4.580 1.633 220 HA ILE 28 HA ILE 28 4.780 -7.206 2.950 221 HB ILE 28 HB ILE 28 2.850 -6.376 1.282 222 HG12 ILE 28 HG12 ILE 28 2.330 -8.740 0.830 223 HG13 ILE 28 HG13 ILE 28 3.934 -9.196 1.383 224 HG21 ILE 28 HG21 ILE 28 4.858 -7.673 -0.542 225 HG22 ILE 28 HG22 ILE 28 4.274 -6.011 -0.616 226 HG23 ILE 28 HG23 ILE 28 3.172 -7.346 -0.944 227 HD11 ILE 28 HD11 ILE 28 1.870 -7.811 3.074 228 HD12 ILE 28 HD12 ILE 28 3.428 -8.437 3.609 229 HD13 ILE 28 HD13 ILE 28 2.172 -9.547 3.067 230 H ASN 29 H ASN 29 5.757 -8.854 1.181 231 HA ASN 29 HA ASN 29 8.453 -8.690 1.195 232 HB2 ASN 29 HB2 ASN 29 6.886 -9.933 -1.072 233 HB3 ASN 29 HB3 ASN 29 8.506 -10.371 -0.548 234 HD21 ASN 29 HD21 ASN 29 5.125 -10.638 0.061 235 HD22 ASN 29 HD22 ASN 29 5.227 -11.847 1.295 236 H GLY 30 H GLY 30 9.097 -6.536 0.719 237 HA2 GLY 30 HA2 GLY 30 10.215 -5.054 -0.635 238 HA3 GLY 30 HA3 GLY 30 10.036 -6.203 -1.949 239 H LYS 31 H LYS 31 6.972 -5.773 -0.929 240 HA LYS 31 HA LYS 31 6.530 -3.600 -2.882 241 HB2 LYS 31 HB2 LYS 31 6.076 -5.908 -3.779 242 HB3 LYS 31 HB3 LYS 31 4.837 -6.089 -2.550 243 HG2 LYS 31 HG2 LYS 31 3.740 -4.038 -3.551 244 HG3 LYS 31 HG3 LYS 31 4.868 -4.215 -4.895 245 HD2 LYS 31 HD2 LYS 31 2.856 -6.263 -3.963 246 HD3 LYS 31 HD3 LYS 31 2.738 -5.273 -5.416 247 HE2 LYS 31 HE2 LYS 31 4.798 -6.339 -6.267 248 HE3 LYS 31 HE3 LYS 31 4.833 -7.367 -4.837 249 HZ1 LYS 31 HZ1 LYS 31 2.689 -7.309 -6.890 250 HZ2 LYS 31 HZ2 LYS 31 2.672 -8.265 -5.497 251 HZ3 LYS 31 HZ3 LYS 31 3.843 -8.527 -6.690 252 H CYS 32 H CYS 32 4.350 -2.562 -2.615 253 HA CYS 32 HA CYS 32 3.455 -2.659 0.171 254 HB2 CYS 32 HB2 CYS 32 2.901 -0.677 -2.039 255 HB3 CYS 32 HB3 CYS 32 2.096 -0.635 -0.478 256 H ASP 33 H ASP 33 1.922 -4.062 0.590 257 HA ASP 33 HA ASP 33 0.030 -4.833 -1.505 258 HB2 ASP 33 HB2 ASP 33 1.119 -6.667 -0.395 259 HB3 ASP 33 HB3 ASP 33 0.632 -6.074 1.186 260 H CYS 34 H CYS 34 -1.680 -3.665 -1.613 261 HA CYS 34 HA CYS 34 -2.632 -2.105 0.615 262 HB2 CYS 34 HB2 CYS 34 -3.911 -2.435 -2.096 263 HB3 CYS 34 HB3 CYS 34 -4.184 -1.136 -0.944 264 H THR 35 H THR 35 -4.539 -2.373 1.735 265 HA THR 35 HA THR 35 -5.766 -5.007 1.558 266 HB THR 35 HB THR 35 -6.453 -2.718 3.403 267 HG1 THR 35 HG1 THR 35 -4.391 -4.603 3.461 268 HG21 THR 35 HG21 THR 35 -8.188 -4.421 3.246 269 HG22 THR 35 HG22 THR 35 -7.397 -4.488 4.825 270 HG23 THR 35 HG23 THR 35 -6.999 -5.681 3.588 271 HA PRO 36 HA PRO 36 -9.046 -3.292 -0.946 272 HB2 PRO 36 HB2 PRO 36 -10.636 -5.636 -0.350 273 HB3 PRO 36 HB3 PRO 36 -9.897 -5.155 -1.872 274 HG2 PRO 36 HG2 PRO 36 -9.085 -7.301 -0.355 275 HG3 PRO 36 HG3 PRO 36 -8.064 -6.457 -1.527 276 HD2 PRO 36 HD2 PRO 36 -8.087 -6.283 1.439 277 HD3 PRO 36 HD3 PRO 36 -6.736 -6.104 0.301 278 H LYS 37 H LYS 37 -11.390 -2.834 -0.641 279 HA LYS 37 HA LYS 37 -11.785 -2.000 2.118 280 HB2 LYS 37 HB2 LYS 37 -13.332 -1.282 -0.378 281 HB3 LYS 37 HB3 LYS 37 -13.565 -0.571 1.213 282 HG2 LYS 37 HG2 LYS 37 -11.273 0.302 1.148 283 HG3 LYS 37 HG3 LYS 37 -11.070 -0.384 -0.464 284 HD2 LYS 37 HD2 LYS 37 -11.588 1.978 -0.624 285 HD3 LYS 37 HD3 LYS 37 -12.922 1.023 -1.271 286 HE2 LYS 37 HE2 LYS 37 -14.175 1.321 0.774 287 HE3 LYS 37 HE3 LYS 37 -12.820 2.164 1.518 288 HZ1 LYS 37 HZ1 LYS 37 -14.447 3.735 0.759 289 HZ2 LYS 37 HZ2 LYS 37 -14.414 3.098 -0.805 290 HZ3 LYS 37 HZ3 LYS 37 -13.057 3.891 -0.189 Start of MODEL 18 1 H1 VAL 1 H1 VAL 1 -3.095 -3.569 -3.011 2 H2 VAL 1 H2 VAL 1 -4.678 -4.137 -2.843 3 H3 VAL 1 H3 VAL 1 -3.934 -4.140 -4.361 4 HA VAL 1 HA VAL 1 -3.085 -5.742 -2.031 5 HB VAL 1 HB VAL 1 -3.806 -7.679 -3.489 6 HG11 VAL 1 HG11 VAL 1 -6.015 -5.803 -2.619 7 HG12 VAL 1 HG12 VAL 1 -5.115 -6.876 -1.546 8 HG13 VAL 1 HG13 VAL 1 -6.128 -7.553 -2.819 9 HG21 VAL 1 HG21 VAL 1 -5.058 -5.413 -5.007 10 HG22 VAL 1 HG22 VAL 1 -5.592 -7.087 -5.157 11 HG23 VAL 1 HG23 VAL 1 -3.949 -6.641 -5.620 12 H GLY 2 H GLY 2 -1.703 -3.916 -4.150 13 HA2 GLY 2 HA2 GLY 2 0.757 -4.943 -4.232 14 HA3 GLY 2 HA3 GLY 2 -0.029 -5.848 -5.519 15 H ILE 3 H ILE 3 1.043 -2.696 -4.462 16 HA ILE 3 HA ILE 3 0.440 -1.601 -7.117 17 HB ILE 3 HB ILE 3 0.873 0.622 -6.063 18 HG12 ILE 3 HG12 ILE 3 0.891 -0.984 -3.497 19 HG13 ILE 3 HG13 ILE 3 2.297 -0.206 -4.217 20 HG21 ILE 3 HG21 ILE 3 -1.252 0.664 -4.766 21 HG22 ILE 3 HG22 ILE 3 -1.293 -1.098 -4.862 22 HG23 ILE 3 HG23 ILE 3 -1.392 -0.133 -6.335 23 HD11 ILE 3 HD11 ILE 3 1.331 1.960 -3.863 24 HD12 ILE 3 HD12 ILE 3 1.329 1.060 -2.348 25 HD13 ILE 3 HD13 ILE 3 -0.163 1.238 -3.272 26 H ASN 4 H ASN 4 2.119 0.220 -7.642 27 HA ASN 4 HA ASN 4 4.486 -1.255 -8.289 28 HB2 ASN 4 HB2 ASN 4 5.032 0.611 -9.711 29 HB3 ASN 4 HB3 ASN 4 3.305 0.296 -9.857 30 HD21 ASN 4 HD21 ASN 4 5.732 2.512 -8.824 31 HD22 ASN 4 HD22 ASN 4 4.676 3.828 -8.443 32 H VAL 5 H VAL 5 3.879 0.015 -5.463 33 HA VAL 5 HA VAL 5 6.252 1.714 -5.206 34 HB VAL 5 HB VAL 5 4.027 1.253 -3.212 35 HG11 VAL 5 HG11 VAL 5 4.880 3.269 -2.121 36 HG12 VAL 5 HG12 VAL 5 6.190 3.354 -3.301 37 HG13 VAL 5 HG13 VAL 5 6.105 1.999 -2.174 38 HG21 VAL 5 HG21 VAL 5 3.157 3.412 -3.911 39 HG22 VAL 5 HG22 VAL 5 3.211 2.295 -5.275 40 HG23 VAL 5 HG23 VAL 5 4.437 3.554 -5.117 41 H LYS 6 H LYS 6 7.936 1.225 -3.888 42 HA LYS 6 HA LYS 6 8.233 -1.543 -3.115 43 HB2 LYS 6 HB2 LYS 6 10.037 -0.162 -4.215 44 HB3 LYS 6 HB3 LYS 6 10.168 0.734 -2.712 45 HG2 LYS 6 HG2 LYS 6 10.773 -1.332 -1.540 46 HG3 LYS 6 HG3 LYS 6 10.684 -2.206 -3.070 47 HD2 LYS 6 HD2 LYS 6 12.432 -0.718 -3.980 48 HD3 LYS 6 HD3 LYS 6 12.556 0.062 -2.403 49 HE2 LYS 6 HE2 LYS 6 14.314 -1.569 -2.629 50 HE3 LYS 6 HE3 LYS 6 13.163 -2.113 -1.413 51 HZ1 LYS 6 HZ1 LYS 6 13.816 -3.912 -2.872 52 HZ2 LYS 6 HZ2 LYS 6 13.279 -3.052 -4.224 53 HZ3 LYS 6 HZ3 LYS 6 12.169 -3.576 -3.063 54 H CYS 7 H CYS 7 8.531 -2.308 -1.051 55 HA CYS 7 HA CYS 7 7.132 -0.842 0.992 56 HB2 CYS 7 HB2 CYS 7 6.626 -3.139 0.916 57 HB3 CYS 7 HB3 CYS 7 8.321 -3.597 0.817 58 H LYS 8 H LYS 8 8.362 0.867 1.736 59 HA LYS 8 HA LYS 8 10.908 0.254 2.998 60 HB2 LYS 8 HB2 LYS 8 9.294 2.813 2.896 61 HB3 LYS 8 HB3 LYS 8 10.892 2.653 3.609 62 HG2 LYS 8 HG2 LYS 8 10.291 2.123 0.709 63 HG3 LYS 8 HG3 LYS 8 10.853 3.672 1.336 64 HD2 LYS 8 HD2 LYS 8 12.865 2.535 2.219 65 HD3 LYS 8 HD3 LYS 8 12.311 1.036 1.476 66 HE2 LYS 8 HE2 LYS 8 12.456 2.012 -0.720 67 HE3 LYS 8 HE3 LYS 8 12.845 3.590 -0.034 68 HZ1 LYS 8 HZ1 LYS 8 14.814 2.460 -0.853 69 HZ2 LYS 8 HZ2 LYS 8 14.530 1.156 0.186 70 HZ3 LYS 8 HZ3 LYS 8 14.903 2.678 0.822 71 H HIS 9 H HIS 9 7.750 1.605 3.915 72 HA HIS 9 HA HIS 9 7.744 0.062 6.388 73 HB2 HIS 9 HB2 HIS 9 7.094 3.001 6.563 74 HB3 HIS 9 HB3 HIS 9 7.474 1.880 7.864 75 HD1 HIS 9 HD1 HIS 9 9.027 4.110 5.335 76 HD2 HIS 9 HD2 HIS 9 10.238 1.505 8.336 77 HE1 HIS 9 HE1 HIS 9 11.498 4.394 5.501 78 HE2 HIS 9 HE2 HIS 9 12.242 2.720 7.231 79 H SER 10 H SER 10 5.543 -0.006 7.323 80 HA SER 10 HA SER 10 3.577 -0.258 5.328 81 HB2 SER 10 HB2 SER 10 2.005 -0.526 7.289 82 HB3 SER 10 HB3 SER 10 3.403 -1.600 7.298 83 HG SER 10 HG SER 10 2.862 -0.453 9.325 84 H GLY 11 H GLY 11 4.270 2.299 7.652 85 HA2 GLY 11 HA2 GLY 11 2.037 3.928 7.223 86 HA3 GLY 11 HA3 GLY 11 3.617 4.494 7.743 87 H GLN 12 H GLN 12 4.882 3.450 5.261 88 HA GLN 12 HA GLN 12 4.505 5.766 3.632 89 HB2 GLN 12 HB2 GLN 12 6.705 4.652 3.768 90 HB3 GLN 12 HB3 GLN 12 6.020 3.219 3.021 91 HG2 GLN 12 HG2 GLN 12 5.469 4.571 1.037 92 HG3 GLN 12 HG3 GLN 12 6.320 5.928 1.768 93 HE21 GLN 12 HE21 GLN 12 6.611 2.833 0.255 94 HE22 GLN 12 HE22 GLN 12 8.318 2.893 -0.008 95 H CYS 13 H CYS 13 3.606 2.363 3.412 96 HA CYS 13 HA CYS 13 2.740 2.499 0.709 97 HB2 CYS 13 HB2 CYS 13 2.166 0.431 2.837 98 HB3 CYS 13 HB3 CYS 13 1.880 0.227 1.113 99 H LEU 14 H LEU 14 1.297 3.381 3.657 100 HA LEU 14 HA LEU 14 -1.421 2.992 3.206 101 HB2 LEU 14 HB2 LEU 14 -0.011 5.293 4.554 102 HB3 LEU 14 HB3 LEU 14 -1.727 4.980 4.668 103 HG LEU 14 HG LEU 14 0.490 3.221 5.715 104 HD11 LEU 14 HD11 LEU 14 -1.608 4.837 7.151 105 HD12 LEU 14 HD12 LEU 14 0.104 5.241 7.033 106 HD13 LEU 14 HD13 LEU 14 -0.404 3.794 7.905 107 HD21 LEU 14 HD21 LEU 14 -1.302 1.821 4.948 108 HD22 LEU 14 HD22 LEU 14 -2.497 2.837 5.756 109 HD23 LEU 14 HD23 LEU 14 -1.350 1.897 6.710 110 H LYS 15 H LYS 15 0.646 5.689 2.289 111 HA LYS 15 HA LYS 15 -1.323 7.418 1.396 112 HB2 LYS 15 HB2 LYS 15 0.800 8.255 2.005 113 HB3 LYS 15 HB3 LYS 15 1.623 7.209 0.862 114 HG2 LYS 15 HG2 LYS 15 0.634 8.430 -0.970 115 HG3 LYS 15 HG3 LYS 15 -0.180 9.505 0.161 116 HD2 LYS 15 HD2 LYS 15 2.805 9.171 -0.157 117 HD3 LYS 15 HD3 LYS 15 1.849 10.546 -0.709 118 HE2 LYS 15 HE2 LYS 15 2.215 9.675 2.156 119 HE3 LYS 15 HE3 LYS 15 3.000 11.049 1.384 120 HZ1 LYS 15 HZ1 LYS 15 1.129 11.792 2.667 121 HZ2 LYS 15 HZ2 LYS 15 0.086 10.731 1.864 122 HZ3 LYS 15 HZ3 LYS 15 0.790 12.018 1.027 123 HA PRO 16 HA PRO 16 -0.534 6.136 -3.113 124 HB2 PRO 16 HB2 PRO 16 0.869 3.892 -3.696 125 HB3 PRO 16 HB3 PRO 16 1.614 5.483 -3.524 126 HG2 PRO 16 HG2 PRO 16 1.536 3.207 -1.603 127 HG3 PRO 16 HG3 PRO 16 2.839 4.361 -1.928 128 HD2 PRO 16 HD2 PRO 16 1.145 4.508 0.228 129 HD3 PRO 16 HD3 PRO 16 2.008 5.893 -0.462 130 H CYS 17 H CYS 17 -1.145 3.667 -0.718 131 HA CYS 17 HA CYS 17 -2.615 1.959 -2.477 132 HB2 CYS 17 HB2 CYS 17 -2.124 2.057 0.468 133 HB3 CYS 17 HB3 CYS 17 -3.375 1.016 -0.178 134 H LYS 18 H LYS 18 -3.450 4.543 -0.198 135 HA LYS 18 HA LYS 18 -6.256 4.171 -0.402 136 HB2 LYS 18 HB2 LYS 18 -6.453 6.377 0.569 137 HB3 LYS 18 HB3 LYS 18 -5.161 5.514 1.388 138 HG2 LYS 18 HG2 LYS 18 -3.500 6.722 0.164 139 HG3 LYS 18 HG3 LYS 18 -4.734 7.487 -0.836 140 HD2 LYS 18 HD2 LYS 18 -5.628 8.606 1.166 141 HD3 LYS 18 HD3 LYS 18 -4.358 7.857 2.137 142 HE2 LYS 18 HE2 LYS 18 -2.658 8.999 0.821 143 HE3 LYS 18 HE3 LYS 18 -3.905 9.715 -0.195 144 HZ1 LYS 18 HZ1 LYS 18 -3.138 11.274 1.461 145 HZ2 LYS 18 HZ2 LYS 18 -3.536 10.208 2.706 146 HZ3 LYS 18 HZ3 LYS 18 -4.755 10.880 1.749 147 H LYS 19 H LYS 19 -3.851 5.583 -2.415 148 HA LYS 19 HA LYS 19 -5.734 7.061 -4.060 149 HB2 LYS 19 HB2 LYS 19 -2.761 6.581 -4.356 150 HB3 LYS 19 HB3 LYS 19 -3.721 7.586 -5.431 151 HG2 LYS 19 HG2 LYS 19 -4.250 9.079 -3.572 152 HG3 LYS 19 HG3 LYS 19 -3.295 8.066 -2.489 153 HD2 LYS 19 HD2 LYS 19 -2.010 10.006 -3.190 154 HD3 LYS 19 HD3 LYS 19 -1.295 8.528 -3.835 155 HE2 LYS 19 HE2 LYS 19 -1.314 10.281 -5.517 156 HE3 LYS 19 HE3 LYS 19 -2.369 8.955 -5.994 157 HZ1 LYS 19 HZ1 LYS 19 -4.265 10.258 -5.210 158 HZ2 LYS 19 HZ2 LYS 19 -3.415 11.070 -6.421 159 HZ3 LYS 19 HZ3 LYS 19 -3.234 11.535 -4.806 160 H ALA 20 H ALA 20 -4.708 3.951 -3.708 161 HA ALA 20 HA ALA 20 -5.084 3.176 -6.491 162 HB1 ALA 20 HB1 ALA 20 -4.488 1.563 -4.003 163 HB2 ALA 20 HB2 ALA 20 -3.354 2.008 -5.283 164 HB3 ALA 20 HB3 ALA 20 -4.666 0.878 -5.622 165 H GLY 21 H GLY 21 -7.036 4.175 -4.178 166 HA2 GLY 21 HA2 GLY 21 -9.331 4.068 -3.978 167 HA3 GLY 21 HA3 GLY 21 -9.346 2.848 -5.243 168 H MET 22 H MET 22 -7.296 2.408 -2.483 169 HA MET 22 HA MET 22 -9.136 0.305 -1.581 170 HB2 MET 22 HB2 MET 22 -6.112 0.251 -1.570 171 HB3 MET 22 HB3 MET 22 -7.154 -1.013 -0.934 172 HG2 MET 22 HG2 MET 22 -8.170 -1.160 -3.239 173 HG3 MET 22 HG3 MET 22 -6.851 -0.135 -3.785 174 HE1 MET 22 HE1 MET 22 -6.355 -2.002 -5.586 175 HE2 MET 22 HE2 MET 22 -7.606 -3.060 -4.934 176 HE3 MET 22 HE3 MET 22 -5.976 -3.678 -5.194 177 H ARG 23 H ARG 23 -8.272 -0.461 0.768 178 HA ARG 23 HA ARG 23 -9.167 1.778 2.321 179 HB2 ARG 23 HB2 ARG 23 -9.904 -0.624 2.600 180 HB3 ARG 23 HB3 ARG 23 -8.345 -0.939 3.336 181 HG2 ARG 23 HG2 ARG 23 -8.885 0.090 5.258 182 HG3 ARG 23 HG3 ARG 23 -9.886 1.303 4.459 183 HD2 ARG 23 HD2 ARG 23 -11.068 -0.407 5.932 184 HD3 ARG 23 HD3 ARG 23 -11.726 -0.141 4.323 185 HE ARG 23 HE ARG 23 -10.086 -2.237 3.936 186 HH11 ARG 23 HH11 ARG 23 -12.546 -1.622 6.346 187 HH12 ARG 23 HH12 ARG 23 -13.021 -3.287 6.466 188 HH21 ARG 23 HH21 ARG 23 -10.740 -4.422 4.066 189 HH22 ARG 23 HH22 ARG 23 -12.002 -4.869 5.170 190 H PHE 24 H PHE 24 -6.439 -0.426 3.113 191 HA PHE 24 HA PHE 24 -4.868 1.980 3.750 192 HB2 PHE 24 HB2 PHE 24 -4.007 -0.367 5.243 193 HB3 PHE 24 HB3 PHE 24 -4.332 1.260 5.814 194 HD1 PHE 24 HD1 PHE 24 -5.765 -2.011 5.123 195 HD2 PHE 24 HD2 PHE 24 -6.391 1.781 6.915 196 HE1 PHE 24 HE1 PHE 24 -7.757 -2.883 6.222 197 HE2 PHE 24 HE2 PHE 24 -8.392 0.913 8.060 198 HZ PHE 24 HZ PHE 24 -9.077 -1.431 7.718 199 H GLY 25 H GLY 25 -2.490 1.051 4.191 200 HA2 GLY 25 HA2 GLY 25 -1.769 -0.570 1.845 201 HA3 GLY 25 HA3 GLY 25 -0.863 0.860 2.317 202 H LYS 26 H LYS 26 -0.951 -2.404 2.464 203 HA LYS 26 HA LYS 26 0.396 -2.699 5.033 204 HB2 LYS 26 HB2 LYS 26 -1.340 -4.332 4.107 205 HB3 LYS 26 HB3 LYS 26 -0.116 -4.807 2.945 206 HG2 LYS 26 HG2 LYS 26 1.366 -5.408 4.849 207 HG3 LYS 26 HG3 LYS 26 0.006 -5.109 5.928 208 HD2 LYS 26 HD2 LYS 26 -0.039 -7.084 3.650 209 HD3 LYS 26 HD3 LYS 26 0.341 -7.509 5.315 210 HE2 LYS 26 HE2 LYS 26 -1.930 -8.047 5.046 211 HE3 LYS 26 HE3 LYS 26 -1.923 -6.522 5.923 212 HZ1 LYS 26 HZ1 LYS 26 -2.192 -6.601 2.976 213 HZ2 LYS 26 HZ2 LYS 26 -2.624 -5.361 4.049 214 HZ3 LYS 26 HZ3 LYS 26 -3.534 -6.780 3.995 215 H CYS 27 H CYS 27 2.524 -3.698 5.111 216 HA CYS 27 HA CYS 27 4.102 -3.045 2.721 217 HB2 CYS 27 HB2 CYS 27 4.512 -2.281 5.326 218 HB3 CYS 27 HB3 CYS 27 5.580 -3.674 5.180 219 H ILE 28 H ILE 28 4.456 -4.733 1.464 220 HA ILE 28 HA ILE 28 4.544 -7.410 2.623 221 HB ILE 28 HB ILE 28 3.409 -6.333 0.265 222 HG12 ILE 28 HG12 ILE 28 2.441 -8.527 0.013 223 HG13 ILE 28 HG13 ILE 28 3.678 -9.238 1.042 224 HG21 ILE 28 HG21 ILE 28 5.647 -8.242 -0.337 225 HG22 ILE 28 HG22 ILE 28 5.384 -6.627 -0.998 226 HG23 ILE 28 HG23 ILE 28 4.295 -7.944 -1.431 227 HD11 ILE 28 HD11 ILE 28 1.730 -7.166 1.993 228 HD12 ILE 28 HD12 ILE 28 2.795 -8.177 2.968 229 HD13 ILE 28 HD13 ILE 28 1.440 -8.899 2.102 230 H ASN 29 H ASN 29 6.189 -8.918 1.517 231 HA ASN 29 HA ASN 29 8.566 -8.408 2.647 232 HB2 ASN 29 HB2 ASN 29 9.534 -10.214 1.431 233 HB3 ASN 29 HB3 ASN 29 7.831 -10.583 1.665 234 HD21 ASN 29 HD21 ASN 29 6.436 -10.529 -0.099 235 HD22 ASN 29 HD22 ASN 29 7.020 -10.564 -1.726 236 H GLY 30 H GLY 30 7.822 -7.415 -0.671 237 HA2 GLY 30 HA2 GLY 30 10.166 -5.643 -0.451 238 HA3 GLY 30 HA3 GLY 30 9.884 -6.551 -1.926 239 H LYS 31 H LYS 31 6.860 -5.892 -1.029 240 HA LYS 31 HA LYS 31 6.856 -3.433 -2.662 241 HB2 LYS 31 HB2 LYS 31 5.193 -5.919 -3.054 242 HB3 LYS 31 HB3 LYS 31 4.780 -4.372 -3.778 243 HG2 LYS 31 HG2 LYS 31 6.849 -4.360 -5.024 244 HG3 LYS 31 HG3 LYS 31 7.360 -5.855 -4.238 245 HD2 LYS 31 HD2 LYS 31 5.506 -7.050 -5.242 246 HD3 LYS 31 HD3 LYS 31 4.904 -5.559 -5.963 247 HE2 LYS 31 HE2 LYS 31 7.583 -6.805 -6.556 248 HE3 LYS 31 HE3 LYS 31 6.143 -6.989 -7.556 249 HZ1 LYS 31 HZ1 LYS 31 7.504 -4.423 -6.941 250 HZ2 LYS 31 HZ2 LYS 31 6.129 -4.599 -7.908 251 HZ3 LYS 31 HZ3 LYS 31 7.600 -5.265 -8.403 252 H CYS 32 H CYS 32 4.744 -2.275 -2.594 253 HA CYS 32 HA CYS 32 3.600 -2.421 0.074 254 HB2 CYS 32 HB2 CYS 32 3.228 -0.443 -2.177 255 HB3 CYS 32 HB3 CYS 32 2.310 -0.384 -0.679 256 H ASP 33 H ASP 33 2.098 -3.849 0.383 257 HA ASP 33 HA ASP 33 0.151 -4.543 -1.651 258 HB2 ASP 33 HB2 ASP 33 0.891 -6.366 -0.281 259 HB3 ASP 33 HB3 ASP 33 0.636 -5.447 1.195 260 H CYS 34 H CYS 34 -2.199 -4.283 -1.154 261 HA CYS 34 HA CYS 34 -2.713 -2.050 0.670 262 HB2 CYS 34 HB2 CYS 34 -4.021 -2.299 -2.034 263 HB3 CYS 34 HB3 CYS 34 -4.092 -0.946 -0.919 264 H THR 35 H THR 35 -4.608 -2.244 1.813 265 HA THR 35 HA THR 35 -5.862 -4.856 1.649 266 HB THR 35 HB THR 35 -6.388 -2.618 3.591 267 HG1 THR 35 HG1 THR 35 -5.033 -4.125 4.957 268 HG21 THR 35 HG21 THR 35 -8.171 -4.302 3.428 269 HG22 THR 35 HG22 THR 35 -7.346 -4.366 4.993 270 HG23 THR 35 HG23 THR 35 -6.984 -5.571 3.759 271 HA PRO 36 HA PRO 36 -9.171 -2.895 -0.575 272 HB2 PRO 36 HB2 PRO 36 -10.510 -5.099 -1.206 273 HB3 PRO 36 HB3 PRO 36 -8.977 -4.723 -1.978 274 HG2 PRO 36 HG2 PRO 36 -9.569 -6.647 0.233 275 HG3 PRO 36 HG3 PRO 36 -8.485 -6.837 -1.159 276 HD2 PRO 36 HD2 PRO 36 -7.664 -6.134 1.379 277 HD3 PRO 36 HD3 PRO 36 -6.765 -5.772 -0.107 278 H LYS 37 H LYS 37 -11.641 -3.186 -0.462 279 HA LYS 37 HA LYS 37 -12.373 -2.988 2.345 280 HB2 LYS 37 HB2 LYS 37 -13.793 -2.178 -0.193 281 HB3 LYS 37 HB3 LYS 37 -14.569 -2.125 1.380 282 HG2 LYS 37 HG2 LYS 37 -13.834 0.060 0.976 283 HG3 LYS 37 HG3 LYS 37 -12.671 -0.614 2.115 284 HD2 LYS 37 HD2 LYS 37 -11.451 0.600 0.458 285 HD3 LYS 37 HD3 LYS 37 -11.182 -1.119 0.166 286 HE2 LYS 37 HE2 LYS 37 -11.569 0.081 -1.924 287 HE3 LYS 37 HE3 LYS 37 -12.851 -1.086 -1.615 288 HZ1 LYS 37 HZ1 LYS 37 -14.257 0.702 -0.829 289 HZ2 LYS 37 HZ2 LYS 37 -13.725 1.032 -2.396 290 HZ3 LYS 37 HZ3 LYS 37 -13.022 1.830 -1.078 Start of MODEL 19 1 H1 VAL 1 H1 VAL 1 -2.654 -7.367 -3.536 2 H2 VAL 1 H2 VAL 1 -2.466 -8.050 -5.077 3 H3 VAL 1 H3 VAL 1 -3.977 -8.073 -4.325 4 HA VAL 1 HA VAL 1 -3.732 -6.385 -6.106 5 HB VAL 1 HB VAL 1 -4.747 -4.539 -4.790 6 HG11 VAL 1 HG11 VAL 1 -6.697 -5.856 -4.027 7 HG12 VAL 1 HG12 VAL 1 -5.763 -7.329 -4.268 8 HG13 VAL 1 HG13 VAL 1 -6.155 -6.297 -5.643 9 HG21 VAL 1 HG21 VAL 1 -3.345 -4.965 -2.765 10 HG22 VAL 1 HG22 VAL 1 -4.377 -6.352 -2.418 11 HG23 VAL 1 HG23 VAL 1 -5.060 -4.726 -2.443 12 H GLY 2 H GLY 2 -1.042 -6.816 -5.544 13 HA2 GLY 2 HA2 GLY 2 0.321 -4.797 -4.205 14 HA3 GLY 2 HA3 GLY 2 0.997 -5.804 -5.472 15 H ILE 3 H ILE 3 1.179 -2.893 -4.722 16 HA ILE 3 HA ILE 3 0.460 -1.732 -7.326 17 HB ILE 3 HB ILE 3 0.813 0.474 -6.149 18 HG12 ILE 3 HG12 ILE 3 0.770 -1.272 -3.679 19 HG13 ILE 3 HG13 ILE 3 2.186 -0.432 -4.299 20 HG21 ILE 3 HG21 ILE 3 -1.361 0.401 -4.941 21 HG22 ILE 3 HG22 ILE 3 -1.354 -1.356 -5.120 22 HG23 ILE 3 HG23 ILE 3 -1.426 -0.326 -6.549 23 HD11 ILE 3 HD11 ILE 3 1.252 1.677 -3.804 24 HD12 ILE 3 HD12 ILE 3 1.032 0.667 -2.376 25 HD13 ILE 3 HD13 ILE 3 -0.327 0.977 -3.460 26 H ASN 4 H ASN 4 2.076 0.086 -7.911 27 HA ASN 4 HA ASN 4 4.656 -1.190 -8.131 28 HB2 ASN 4 HB2 ASN 4 5.203 0.831 -9.561 29 HB3 ASN 4 HB3 ASN 4 3.888 -0.187 -10.134 30 HD21 ASN 4 HD21 ASN 4 4.629 2.813 -8.440 31 HD22 ASN 4 HD22 ASN 4 3.155 3.621 -8.864 32 H VAL 5 H VAL 5 4.274 -0.595 -5.514 33 HA VAL 5 HA VAL 5 6.168 1.611 -5.049 34 HB VAL 5 HB VAL 5 3.861 0.855 -3.239 35 HG11 VAL 5 HG11 VAL 5 4.452 2.935 -2.047 36 HG12 VAL 5 HG12 VAL 5 5.877 3.089 -3.072 37 HG13 VAL 5 HG13 VAL 5 5.726 1.717 -1.975 38 HG21 VAL 5 HG21 VAL 5 2.855 2.968 -3.888 39 HG22 VAL 5 HG22 VAL 5 3.091 1.937 -5.300 40 HG23 VAL 5 HG23 VAL 5 4.189 3.283 -4.997 41 H LYS 6 H LYS 6 7.695 1.273 -3.437 42 HA LYS 6 HA LYS 6 8.235 -1.549 -2.935 43 HB2 LYS 6 HB2 LYS 6 9.927 0.020 -3.975 44 HB3 LYS 6 HB3 LYS 6 10.028 0.823 -2.416 45 HG2 LYS 6 HG2 LYS 6 10.839 -1.207 -1.385 46 HG3 LYS 6 HG3 LYS 6 10.664 -2.076 -2.912 47 HD2 LYS 6 HD2 LYS 6 12.280 -0.478 -3.930 48 HD3 LYS 6 HD3 LYS 6 12.525 0.226 -2.331 49 HE2 LYS 6 HE2 LYS 6 14.288 -1.364 -2.826 50 HE3 LYS 6 HE3 LYS 6 13.288 -1.955 -1.504 51 HZ1 LYS 6 HZ1 LYS 6 12.138 -3.397 -3.050 52 HZ2 LYS 6 HZ2 LYS 6 13.800 -3.699 -3.096 53 HZ3 LYS 6 HZ3 LYS 6 13.069 -2.813 -4.335 54 H CYS 7 H CYS 7 8.693 -2.372 -0.886 55 HA CYS 7 HA CYS 7 7.137 -1.193 1.217 56 HB2 CYS 7 HB2 CYS 7 7.139 -3.608 0.885 57 HB3 CYS 7 HB3 CYS 7 8.873 -3.670 1.165 58 H LYS 8 H LYS 8 8.459 0.801 1.378 59 HA LYS 8 HA LYS 8 10.949 0.478 2.838 60 HB2 LYS 8 HB2 LYS 8 9.484 3.008 2.071 61 HB3 LYS 8 HB3 LYS 8 11.126 2.901 2.695 62 HG2 LYS 8 HG2 LYS 8 11.831 1.708 0.702 63 HG3 LYS 8 HG3 LYS 8 10.181 1.740 0.081 64 HD2 LYS 8 HD2 LYS 8 11.384 3.480 -1.009 65 HD3 LYS 8 HD3 LYS 8 10.299 4.242 0.152 66 HE2 LYS 8 HE2 LYS 8 12.150 4.485 1.728 67 HE3 LYS 8 HE3 LYS 8 13.235 3.702 0.580 68 HZ1 LYS 8 HZ1 LYS 8 13.518 6.044 0.411 69 HZ2 LYS 8 HZ2 LYS 8 11.858 6.307 0.247 70 HZ3 LYS 8 HZ3 LYS 8 12.717 5.534 -0.989 71 H HIS 9 H HIS 9 7.730 1.903 3.318 72 HA HIS 9 HA HIS 9 7.930 1.392 6.193 73 HB2 HIS 9 HB2 HIS 9 7.019 4.092 5.172 74 HB3 HIS 9 HB3 HIS 9 7.305 3.616 6.839 75 HD1 HIS 9 HD1 HIS 9 9.086 4.605 3.701 76 HD2 HIS 9 HD2 HIS 9 9.964 3.806 7.688 77 HE1 HIS 9 HE1 HIS 9 11.486 5.248 4.006 78 HE2 HIS 9 HE2 HIS 9 11.943 4.939 6.465 79 H SER 10 H SER 10 6.005 0.788 7.050 80 HA SER 10 HA SER 10 3.879 0.098 5.327 81 HB2 SER 10 HB2 SER 10 2.704 -0.357 7.577 82 HB3 SER 10 HB3 SER 10 4.167 -1.275 7.213 83 HG SER 10 HG SER 10 5.122 -0.369 8.847 84 H GLY 11 H GLY 11 4.395 2.803 7.523 85 HA2 GLY 11 HA2 GLY 11 1.764 3.891 7.232 86 HA3 GLY 11 HA3 GLY 11 3.169 4.727 7.880 87 H GLN 12 H GLN 12 4.574 3.883 5.308 88 HA GLN 12 HA GLN 12 3.898 6.240 3.783 89 HB2 GLN 12 HB2 GLN 12 6.235 5.653 4.056 90 HB3 GLN 12 HB3 GLN 12 5.957 4.064 3.362 91 HG2 GLN 12 HG2 GLN 12 5.467 5.089 1.214 92 HG3 GLN 12 HG3 GLN 12 5.701 6.688 1.925 93 HE21 GLN 12 HE21 GLN 12 7.373 7.171 0.525 94 HE22 GLN 12 HE22 GLN 12 8.943 6.467 0.681 95 H CYS 13 H CYS 13 3.447 2.791 3.632 96 HA CYS 13 HA CYS 13 2.642 2.599 0.930 97 HB2 CYS 13 HB2 CYS 13 2.669 0.865 3.294 98 HB3 CYS 13 HB3 CYS 13 1.351 0.527 2.176 99 H LEU 14 H LEU 14 1.065 3.757 3.723 100 HA LEU 14 HA LEU 14 -1.628 3.290 3.097 101 HB2 LEU 14 HB2 LEU 14 -0.359 5.626 4.525 102 HB3 LEU 14 HB3 LEU 14 -2.063 5.242 4.547 103 HG LEU 14 HG LEU 14 0.166 3.585 5.724 104 HD11 LEU 14 HD11 LEU 14 -2.089 5.102 7.020 105 HD12 LEU 14 HD12 LEU 14 -0.386 5.558 7.028 106 HD13 LEU 14 HD13 LEU 14 -0.909 4.090 7.853 107 HD21 LEU 14 HD21 LEU 14 -1.490 2.089 4.856 108 HD22 LEU 14 HD22 LEU 14 -2.792 3.037 5.574 109 HD23 LEU 14 HD23 LEU 14 -1.661 2.162 6.610 110 H LYS 15 H LYS 15 0.497 5.973 2.359 111 HA LYS 15 HA LYS 15 -1.271 7.751 1.237 112 HB2 LYS 15 HB2 LYS 15 1.629 7.339 0.534 113 HB3 LYS 15 HB3 LYS 15 0.690 8.776 0.159 114 HG2 LYS 15 HG2 LYS 15 0.457 9.322 2.458 115 HG3 LYS 15 HG3 LYS 15 1.113 7.763 2.958 116 HD2 LYS 15 HD2 LYS 15 2.782 9.505 3.222 117 HD3 LYS 15 HD3 LYS 15 3.275 8.375 1.962 118 HE2 LYS 15 HE2 LYS 15 2.529 9.925 0.249 119 HE3 LYS 15 HE3 LYS 15 1.953 11.043 1.485 120 HZ1 LYS 15 HZ1 LYS 15 4.773 10.220 1.053 121 HZ2 LYS 15 HZ2 LYS 15 4.237 11.259 2.275 122 HZ3 LYS 15 HZ3 LYS 15 4.101 11.721 0.657 123 HA PRO 16 HA PRO 16 -0.518 6.183 -3.208 124 HB2 PRO 16 HB2 PRO 16 0.678 3.800 -3.651 125 HB3 PRO 16 HB3 PRO 16 1.582 5.311 -3.512 126 HG2 PRO 16 HG2 PRO 16 1.145 3.171 -1.469 127 HG3 PRO 16 HG3 PRO 16 2.623 4.076 -1.846 128 HD2 PRO 16 HD2 PRO 16 1.019 4.666 0.266 129 HD3 PRO 16 HD3 PRO 16 1.989 5.880 -0.586 130 H CYS 17 H CYS 17 -1.209 3.746 -0.761 131 HA CYS 17 HA CYS 17 -2.777 2.097 -2.450 132 HB2 CYS 17 HB2 CYS 17 -2.308 2.279 0.495 133 HB3 CYS 17 HB3 CYS 17 -3.552 1.225 -0.144 134 H LYS 18 H LYS 18 -3.552 4.742 -0.215 135 HA LYS 18 HA LYS 18 -6.362 4.411 -0.372 136 HB2 LYS 18 HB2 LYS 18 -6.507 6.639 0.561 137 HB3 LYS 18 HB3 LYS 18 -5.227 5.758 1.379 138 HG2 LYS 18 HG2 LYS 18 -3.552 6.908 0.111 139 HG3 LYS 18 HG3 LYS 18 -4.784 7.699 -0.872 140 HD2 LYS 18 HD2 LYS 18 -5.620 8.838 1.153 141 HD3 LYS 18 HD3 LYS 18 -4.336 8.072 2.092 142 HE2 LYS 18 HE2 LYS 18 -2.672 9.165 0.624 143 HE3 LYS 18 HE3 LYS 18 -3.987 9.995 -0.204 144 HZ1 LYS 18 HZ1 LYS 18 -3.285 10.268 2.666 145 HZ2 LYS 18 HZ2 LYS 18 -4.581 11.041 1.905 146 HZ3 LYS 18 HZ3 LYS 18 -2.993 11.412 1.456 147 H LYS 19 H LYS 19 -3.991 5.803 -2.456 148 HA LYS 19 HA LYS 19 -5.849 7.350 -4.035 149 HB2 LYS 19 HB2 LYS 19 -2.992 6.535 -4.627 150 HB3 LYS 19 HB3 LYS 19 -3.923 7.729 -5.519 151 HG2 LYS 19 HG2 LYS 19 -4.016 9.154 -3.555 152 HG3 LYS 19 HG3 LYS 19 -3.131 7.943 -2.622 153 HD2 LYS 19 HD2 LYS 19 -1.229 8.178 -4.173 154 HD3 LYS 19 HD3 LYS 19 -2.112 9.436 -5.040 155 HE2 LYS 19 HE2 LYS 19 -2.197 10.754 -2.944 156 HE3 LYS 19 HE3 LYS 19 -1.211 9.519 -2.163 157 HZ1 LYS 19 HZ1 LYS 19 0.551 9.970 -3.746 158 HZ2 LYS 19 HZ2 LYS 19 0.126 11.380 -2.916 159 HZ3 LYS 19 HZ3 LYS 19 -0.396 11.149 -4.507 160 H ALA 20 H ALA 20 -4.763 4.159 -3.812 161 HA ALA 20 HA ALA 20 -5.501 3.412 -6.526 162 HB1 ALA 20 HB1 ALA 20 -4.438 1.839 -4.175 163 HB2 ALA 20 HB2 ALA 20 -3.599 2.271 -5.668 164 HB3 ALA 20 HB3 ALA 20 -4.912 1.097 -5.706 165 H GLY 21 H GLY 21 -7.255 4.337 -4.075 166 HA2 GLY 21 HA2 GLY 21 -9.505 4.111 -3.638 167 HA3 GLY 21 HA3 GLY 21 -9.581 2.882 -4.892 168 H MET 22 H MET 22 -7.230 2.486 -2.420 169 HA MET 22 HA MET 22 -8.720 0.150 -1.505 170 HB2 MET 22 HB2 MET 22 -5.804 0.870 -1.292 171 HB3 MET 22 HB3 MET 22 -6.511 -0.550 -0.542 172 HG2 MET 22 HG2 MET 22 -6.431 0.058 -3.483 173 HG3 MET 22 HG3 MET 22 -5.460 -1.135 -2.625 174 HE1 MET 22 HE1 MET 22 -7.859 -3.391 -4.724 175 HE2 MET 22 HE2 MET 22 -6.182 -3.053 -4.294 176 HE3 MET 22 HE3 MET 22 -7.114 -1.868 -5.207 177 H ARG 23 H ARG 23 -8.042 -0.457 0.872 178 HA ARG 23 HA ARG 23 -9.231 1.658 2.447 179 HB2 ARG 23 HB2 ARG 23 -9.879 -0.762 2.616 180 HB3 ARG 23 HB3 ARG 23 -8.304 -1.084 3.314 181 HG2 ARG 23 HG2 ARG 23 -8.824 -0.093 5.299 182 HG3 ARG 23 HG3 ARG 23 -10.036 0.964 4.576 183 HD2 ARG 23 HD2 ARG 23 -10.814 -1.023 6.045 184 HD3 ARG 23 HD3 ARG 23 -11.650 -0.699 4.530 185 HE ARG 23 HE ARG 23 -10.121 -2.490 3.587 186 HH11 ARG 23 HH11 ARG 23 -11.096 -2.469 6.948 187 HH12 ARG 23 HH12 ARG 23 -11.079 -4.198 7.092 188 HH21 ARG 23 HH21 ARG 23 -10.115 -4.756 3.761 189 HH22 ARG 23 HH22 ARG 23 -10.505 -5.502 5.283 190 H PHE 24 H PHE 24 -6.438 -0.451 3.109 191 HA PHE 24 HA PHE 24 -4.861 1.946 3.767 192 HB2 PHE 24 HB2 PHE 24 -3.922 -0.371 5.234 193 HB3 PHE 24 HB3 PHE 24 -4.330 1.226 5.832 194 HD1 PHE 24 HD1 PHE 24 -5.632 -2.081 5.045 195 HD2 PHE 24 HD2 PHE 24 -6.364 1.600 7.008 196 HE1 PHE 24 HE1 PHE 24 -7.579 -3.073 6.124 197 HE2 PHE 24 HE2 PHE 24 -8.319 0.613 8.136 198 HZ PHE 24 HZ PHE 24 -8.930 -1.735 7.701 199 H GLY 25 H GLY 25 -2.436 1.019 4.056 200 HA2 GLY 25 HA2 GLY 25 -1.912 -0.709 1.731 201 HA3 GLY 25 HA3 GLY 25 -0.960 0.733 2.056 202 H LYS 26 H LYS 26 -0.990 -2.544 2.358 203 HA LYS 26 HA LYS 26 0.451 -2.614 4.890 204 HB2 LYS 26 HB2 LYS 26 -1.308 -4.358 4.127 205 HB3 LYS 26 HB3 LYS 26 -0.018 -4.969 3.103 206 HG2 LYS 26 HG2 LYS 26 1.377 -5.363 5.052 207 HG3 LYS 26 HG3 LYS 26 0.102 -4.735 6.094 208 HD2 LYS 26 HD2 LYS 26 -1.394 -6.527 5.280 209 HD3 LYS 26 HD3 LYS 26 -0.054 -7.179 4.335 210 HE2 LYS 26 HE2 LYS 26 -0.287 -8.401 6.419 211 HE3 LYS 26 HE3 LYS 26 1.229 -7.503 6.401 212 HZ1 LYS 26 HZ1 LYS 26 0.214 -5.812 7.785 213 HZ2 LYS 26 HZ2 LYS 26 0.087 -7.323 8.531 214 HZ3 LYS 26 HZ3 LYS 26 -1.260 -6.641 7.775 215 H CYS 27 H CYS 27 2.554 -3.286 5.069 216 HA CYS 27 HA CYS 27 4.170 -2.933 2.660 217 HB2 CYS 27 HB2 CYS 27 4.528 -1.900 5.126 218 HB3 CYS 27 HB3 CYS 27 5.448 -3.388 5.309 219 H ILE 28 H ILE 28 4.676 -4.727 1.555 220 HA ILE 28 HA ILE 28 4.534 -7.278 3.001 221 HB ILE 28 HB ILE 28 2.936 -6.510 0.980 222 HG12 ILE 28 HG12 ILE 28 2.442 -8.891 0.593 223 HG13 ILE 28 HG13 ILE 28 3.920 -9.330 1.439 224 HG21 ILE 28 HG21 ILE 28 5.192 -7.962 -0.379 225 HG22 ILE 28 HG22 ILE 28 4.681 -6.297 -0.661 226 HG23 ILE 28 HG23 ILE 28 3.612 -7.632 -1.090 227 HD11 ILE 28 HD11 ILE 28 1.626 -7.824 2.668 228 HD12 ILE 28 HD12 ILE 28 3.060 -8.429 3.496 229 HD13 ILE 28 HD13 ILE 28 1.893 -9.560 2.815 230 H ASN 29 H ASN 29 5.787 -9.038 1.554 231 HA ASN 29 HA ASN 29 8.465 -8.723 2.019 232 HB2 ASN 29 HB2 ASN 29 7.266 -10.419 -0.179 233 HB3 ASN 29 HB3 ASN 29 8.846 -10.642 0.563 234 HD21 ASN 29 HD21 ASN 29 5.445 -11.088 0.875 235 HD22 ASN 29 HD22 ASN 29 5.488 -12.047 2.314 236 H GLY 30 H GLY 30 9.123 -6.673 1.322 237 HA2 GLY 30 HA2 GLY 30 10.504 -5.462 -0.077 238 HA3 GLY 30 HA3 GLY 30 10.307 -6.703 -1.302 239 H LYS 31 H LYS 31 7.221 -6.131 -0.649 240 HA LYS 31 HA LYS 31 7.092 -4.031 -2.724 241 HB2 LYS 31 HB2 LYS 31 5.468 -6.575 -2.545 242 HB3 LYS 31 HB3 LYS 31 5.154 -5.272 -3.679 243 HG2 LYS 31 HG2 LYS 31 7.734 -6.811 -3.564 244 HG3 LYS 31 HG3 LYS 31 6.388 -7.208 -4.633 245 HD2 LYS 31 HD2 LYS 31 6.555 -4.966 -5.635 246 HD3 LYS 31 HD3 LYS 31 7.938 -4.619 -4.594 247 HE2 LYS 31 HE2 LYS 31 9.193 -6.424 -5.623 248 HE3 LYS 31 HE3 LYS 31 7.801 -6.851 -6.616 249 HZ1 LYS 31 HZ1 LYS 31 7.954 -4.731 -7.723 250 HZ2 LYS 31 HZ2 LYS 31 9.441 -5.527 -7.825 251 HZ3 LYS 31 HZ3 LYS 31 9.238 -4.256 -6.732 252 H CYS 32 H CYS 32 4.750 -3.189 -2.925 253 HA CYS 32 HA CYS 32 3.620 -2.920 -0.221 254 HB2 CYS 32 HB2 CYS 32 4.459 -0.833 -1.410 255 HB3 CYS 32 HB3 CYS 32 3.139 -1.054 -2.559 256 H ASP 33 H ASP 33 1.930 -4.238 0.056 257 HA ASP 33 HA ASP 33 0.007 -4.480 -2.165 258 HB2 ASP 33 HB2 ASP 33 1.045 -6.634 -1.612 259 HB3 ASP 33 HB3 ASP 33 0.503 -6.480 0.053 260 H CYS 34 H CYS 34 -1.821 -3.545 -1.852 261 HA CYS 34 HA CYS 34 -2.321 -2.184 0.629 262 HB2 CYS 34 HB2 CYS 34 -4.055 -2.276 -1.837 263 HB3 CYS 34 HB3 CYS 34 -4.065 -1.050 -0.574 264 H THR 35 H THR 35 -4.506 -2.199 1.659 265 HA THR 35 HA THR 35 -5.701 -4.878 1.552 266 HB THR 35 HB THR 35 -6.244 -2.711 3.559 267 HG1 THR 35 HG1 THR 35 -4.269 -4.766 3.583 268 HG21 THR 35 HG21 THR 35 -7.911 -4.475 3.453 269 HG22 THR 35 HG22 THR 35 -6.991 -4.588 4.958 270 HG23 THR 35 HG23 THR 35 -6.650 -5.698 3.630 271 HA PRO 36 HA PRO 36 -8.991 -2.647 -0.662 272 HB2 PRO 36 HB2 PRO 36 -10.372 -4.921 -1.277 273 HB3 PRO 36 HB3 PRO 36 -9.065 -4.274 -2.268 274 HG2 PRO 36 HG2 PRO 36 -9.015 -6.499 -0.275 275 HG3 PRO 36 HG3 PRO 36 -8.201 -6.381 -1.846 276 HD2 PRO 36 HD2 PRO 36 -6.914 -5.971 0.491 277 HD3 PRO 36 HD3 PRO 36 -6.475 -5.116 -0.997 278 H LYS 37 H LYS 37 -11.143 -2.248 -0.068 279 HA LYS 37 HA LYS 37 -11.837 -3.157 2.600 280 HB2 LYS 37 HB2 LYS 37 -13.580 -1.432 2.553 281 HB3 LYS 37 HB3 LYS 37 -12.002 -0.764 2.182 282 HG2 LYS 37 HG2 LYS 37 -12.606 -0.809 -0.221 283 HG3 LYS 37 HG3 LYS 37 -14.222 -1.345 0.236 284 HD2 LYS 37 HD2 LYS 37 -14.446 0.966 -0.006 285 HD3 LYS 37 HD3 LYS 37 -14.270 0.742 1.731 286 HE2 LYS 37 HE2 LYS 37 -12.890 2.576 1.134 287 HE3 LYS 37 HE3 LYS 37 -11.816 1.212 1.436 288 HZ1 LYS 37 HZ1 LYS 37 -11.617 0.859 -0.930 289 HZ2 LYS 37 HZ2 LYS 37 -11.220 2.465 -0.573 290 HZ3 LYS 37 HZ3 LYS 37 -12.725 2.096 -1.250 Start of MODEL 20 1 H1 VAL 1 H1 VAL 1 -3.506 -6.842 -6.469 2 H2 VAL 1 H2 VAL 1 -5.022 -7.369 -5.936 3 H3 VAL 1 H3 VAL 1 -3.675 -7.511 -4.926 4 HA VAL 1 HA VAL 1 -4.816 -4.962 -5.876 5 HB VAL 1 HB VAL 1 -5.472 -4.645 -3.470 6 HG11 VAL 1 HG11 VAL 1 -7.547 -5.874 -3.706 7 HG12 VAL 1 HG12 VAL 1 -6.828 -6.899 -4.944 8 HG13 VAL 1 HG13 VAL 1 -7.077 -5.182 -5.255 9 HG21 VAL 1 HG21 VAL 1 -4.025 -6.472 -2.617 10 HG22 VAL 1 HG22 VAL 1 -5.137 -7.637 -3.336 11 HG23 VAL 1 HG23 VAL 1 -5.692 -6.561 -2.051 12 H GLY 2 H GLY 2 -2.068 -5.757 -6.053 13 HA2 GLY 2 HA2 GLY 2 -0.810 -4.190 -3.908 14 HA3 GLY 2 HA3 GLY 2 0.028 -5.264 -5.023 15 H ILE 3 H ILE 3 0.988 -2.726 -4.606 16 HA ILE 3 HA ILE 3 0.232 -1.335 -7.089 17 HB ILE 3 HB ILE 3 0.917 0.787 -5.911 18 HG12 ILE 3 HG12 ILE 3 0.716 -1.003 -3.479 19 HG13 ILE 3 HG13 ILE 3 2.184 -0.244 -4.083 20 HG21 ILE 3 HG21 ILE 3 -1.226 0.982 -4.667 21 HG22 ILE 3 HG22 ILE 3 -1.465 -0.751 -4.892 22 HG23 ILE 3 HG23 ILE 3 -1.405 0.319 -6.292 23 HD11 ILE 3 HD11 ILE 3 1.342 1.926 -3.552 24 HD12 ILE 3 HD12 ILE 3 1.199 0.895 -2.132 25 HD13 ILE 3 HD13 ILE 3 -0.225 1.261 -3.105 26 H ASN 4 H ASN 4 2.030 0.385 -7.561 27 HA ASN 4 HA ASN 4 4.423 -1.185 -8.048 28 HB2 ASN 4 HB2 ASN 4 5.045 0.737 -9.524 29 HB3 ASN 4 HB3 ASN 4 3.512 -0.018 -9.940 30 HD21 ASN 4 HD21 ASN 4 5.012 2.778 -8.443 31 HD22 ASN 4 HD22 ASN 4 3.640 3.823 -8.598 32 H VAL 5 H VAL 5 4.085 -0.339 -5.342 33 HA VAL 5 HA VAL 5 6.216 1.679 -5.111 34 HB VAL 5 HB VAL 5 4.098 1.081 -3.044 35 HG11 VAL 5 HG11 VAL 5 4.829 3.200 -2.055 36 HG12 VAL 5 HG12 VAL 5 6.101 3.322 -3.273 37 HG13 VAL 5 HG13 VAL 5 6.128 2.005 -2.098 38 HG21 VAL 5 HG21 VAL 5 2.967 3.074 -3.711 39 HG22 VAL 5 HG22 VAL 5 3.156 2.044 -5.133 40 HG23 VAL 5 HG23 VAL 5 4.209 3.442 -4.907 41 H LYS 6 H LYS 6 8.002 1.157 -4.041 42 HA LYS 6 HA LYS 6 8.353 -1.574 -3.191 43 HB2 LYS 6 HB2 LYS 6 10.285 0.751 -3.078 44 HB3 LYS 6 HB3 LYS 6 10.691 -0.942 -2.847 45 HG2 LYS 6 HG2 LYS 6 10.087 -1.426 -5.150 46 HG3 LYS 6 HG3 LYS 6 9.602 0.251 -5.390 47 HD2 LYS 6 HD2 LYS 6 11.791 -0.029 -6.317 48 HD3 LYS 6 HD3 LYS 6 11.942 0.931 -4.847 49 HE2 LYS 6 HE2 LYS 6 13.712 -0.696 -4.908 50 HE3 LYS 6 HE3 LYS 6 12.584 -1.126 -3.623 51 HZ1 LYS 6 HZ1 LYS 6 12.665 -2.348 -6.330 52 HZ2 LYS 6 HZ2 LYS 6 11.598 -2.772 -5.090 53 HZ3 LYS 6 HZ3 LYS 6 13.252 -3.058 -4.912 54 H CYS 7 H CYS 7 8.176 -2.303 -1.206 55 HA CYS 7 HA CYS 7 7.258 -0.681 0.922 56 HB2 CYS 7 HB2 CYS 7 6.518 -2.909 0.947 57 HB3 CYS 7 HB3 CYS 7 8.140 -3.546 0.706 58 H LYS 8 H LYS 8 8.767 0.929 1.365 59 HA LYS 8 HA LYS 8 11.390 0.114 2.316 60 HB2 LYS 8 HB2 LYS 8 10.133 2.857 2.157 61 HB3 LYS 8 HB3 LYS 8 11.799 2.524 2.606 62 HG2 LYS 8 HG2 LYS 8 12.175 1.555 0.373 63 HG3 LYS 8 HG3 LYS 8 10.521 1.988 -0.065 64 HD2 LYS 8 HD2 LYS 8 11.950 3.698 -0.909 65 HD3 LYS 8 HD3 LYS 8 11.101 4.365 0.483 66 HE2 LYS 8 HE2 LYS 8 13.442 5.004 0.534 67 HE3 LYS 8 HE3 LYS 8 13.070 3.930 1.880 68 HZ1 LYS 8 HZ1 LYS 8 15.165 3.366 0.801 69 HZ2 LYS 8 HZ2 LYS 8 14.363 3.104 -0.662 70 HZ3 LYS 8 HZ3 LYS 8 14.050 2.102 0.667 71 H HIS 9 H HIS 9 8.358 1.403 3.535 72 HA HIS 9 HA HIS 9 9.163 0.793 6.272 73 HB2 HIS 9 HB2 HIS 9 7.969 3.487 5.588 74 HB3 HIS 9 HB3 HIS 9 8.612 2.963 7.136 75 HD1 HIS 9 HD1 HIS 9 9.527 4.607 4.000 76 HD2 HIS 9 HD2 HIS 9 11.513 2.827 7.190 77 HE1 HIS 9 HE1 HIS 9 11.921 5.289 3.760 78 HE2 HIS 9 HE2 HIS 9 13.132 4.115 5.629 79 H SER 10 H SER 10 7.447 0.030 7.447 80 HA SER 10 HA SER 10 5.007 -0.469 6.074 81 HB2 SER 10 HB2 SER 10 4.276 -1.420 8.281 82 HB3 SER 10 HB3 SER 10 5.781 -2.091 7.655 83 HG SER 10 HG SER 10 5.425 -0.202 9.737 84 H GLY 11 H GLY 11 3.953 1.309 5.526 85 HA2 GLY 11 HA2 GLY 11 2.144 2.730 6.740 86 HA3 GLY 11 HA3 GLY 11 3.568 3.449 7.487 87 H GLN 12 H GLN 12 5.140 2.994 5.043 88 HA GLN 12 HA GLN 12 4.694 5.445 3.701 89 HB2 GLN 12 HB2 GLN 12 6.900 4.278 3.868 90 HB3 GLN 12 HB3 GLN 12 6.297 3.053 2.769 91 HG2 GLN 12 HG2 GLN 12 5.965 4.818 1.074 92 HG3 GLN 12 HG3 GLN 12 6.765 5.953 2.161 93 HE21 GLN 12 HE21 GLN 12 7.146 3.240 0.044 94 HE22 GLN 12 HE22 GLN 12 8.873 3.254 -0.008 95 H CYS 13 H CYS 13 3.476 2.259 3.298 96 HA CYS 13 HA CYS 13 2.751 2.585 0.523 97 HB2 CYS 13 HB2 CYS 13 1.972 0.377 2.433 98 HB3 CYS 13 HB3 CYS 13 1.921 0.324 0.674 99 H LEU 14 H LEU 14 1.407 3.577 3.427 100 HA LEU 14 HA LEU 14 -1.319 2.967 3.114 101 HB2 LEU 14 HB2 LEU 14 0.020 5.270 4.525 102 HB3 LEU 14 HB3 LEU 14 -1.691 4.914 4.643 103 HG LEU 14 HG LEU 14 0.532 3.077 5.540 104 HD11 LEU 14 HD11 LEU 14 -1.361 4.802 7.124 105 HD12 LEU 14 HD12 LEU 14 0.377 5.046 6.948 106 HD13 LEU 14 HD13 LEU 14 -0.233 3.627 7.800 107 HD21 LEU 14 HD21 LEU 14 -1.393 1.807 4.861 108 HD22 LEU 14 HD22 LEU 14 -2.464 2.865 5.781 109 HD23 LEU 14 HD23 LEU 14 -1.311 1.830 6.622 110 H LYS 15 H LYS 15 0.448 5.937 2.317 111 HA LYS 15 HA LYS 15 -1.728 7.367 1.321 112 HB2 LYS 15 HB2 LYS 15 1.197 7.648 0.660 113 HB3 LYS 15 HB3 LYS 15 -0.038 8.829 0.247 114 HG2 LYS 15 HG2 LYS 15 -0.529 9.122 2.641 115 HG3 LYS 15 HG3 LYS 15 0.765 7.988 3.025 116 HD2 LYS 15 HD2 LYS 15 1.116 10.589 1.533 117 HD3 LYS 15 HD3 LYS 15 1.472 10.342 3.243 118 HE2 LYS 15 HE2 LYS 15 3.111 8.599 2.598 119 HE3 LYS 15 HE3 LYS 15 2.799 8.975 0.906 120 HZ1 LYS 15 HZ1 LYS 15 3.576 11.226 1.305 121 HZ2 LYS 15 HZ2 LYS 15 4.770 10.102 1.704 122 HZ3 LYS 15 HZ3 LYS 15 3.881 10.860 2.927 123 HA PRO 16 HA PRO 16 -0.490 6.112 -3.166 124 HB2 PRO 16 HB2 PRO 16 0.885 3.748 -3.422 125 HB3 PRO 16 HB3 PRO 16 1.621 5.350 -3.488 126 HG2 PRO 16 HG2 PRO 16 1.526 3.399 -1.239 127 HG3 PRO 16 HG3 PRO 16 2.824 4.504 -1.717 128 HD2 PRO 16 HD2 PRO 16 1.176 4.993 0.381 129 HD3 PRO 16 HD3 PRO 16 1.900 6.282 -0.601 130 H CYS 17 H CYS 17 -1.235 3.744 -0.680 131 HA CYS 17 HA CYS 17 -2.713 2.036 -2.444 132 HB2 CYS 17 HB2 CYS 17 -2.256 2.160 0.506 133 HB3 CYS 17 HB3 CYS 17 -3.518 1.136 -0.144 134 H LYS 18 H LYS 18 -3.534 4.605 -0.129 135 HA LYS 18 HA LYS 18 -6.347 4.232 -0.382 136 HB2 LYS 18 HB2 LYS 18 -6.554 6.349 0.771 137 HB3 LYS 18 HB3 LYS 18 -5.299 5.392 1.539 138 HG2 LYS 18 HG2 LYS 18 -3.642 6.690 0.152 139 HG3 LYS 18 HG3 LYS 18 -4.976 7.765 -0.267 140 HD2 LYS 18 HD2 LYS 18 -4.181 7.145 2.570 141 HD3 LYS 18 HD3 LYS 18 -3.555 8.522 1.664 142 HE2 LYS 18 HE2 LYS 18 -6.479 7.998 2.180 143 HE3 LYS 18 HE3 LYS 18 -5.472 9.082 3.138 144 HZ1 LYS 18 HZ1 LYS 18 -6.088 9.365 0.245 145 HZ2 LYS 18 HZ2 LYS 18 -5.061 10.381 1.123 146 HZ3 LYS 18 HZ3 LYS 18 -6.708 10.316 1.500 147 H LYS 19 H LYS 19 -3.923 5.890 -2.219 148 HA LYS 19 HA LYS 19 -5.857 7.372 -3.800 149 HB2 LYS 19 HB2 LYS 19 -2.890 6.988 -4.249 150 HB3 LYS 19 HB3 LYS 19 -3.924 8.117 -5.108 151 HG2 LYS 19 HG2 LYS 19 -4.378 9.203 -2.880 152 HG3 LYS 19 HG3 LYS 19 -3.089 8.196 -2.226 153 HD2 LYS 19 HD2 LYS 19 -2.826 10.223 -4.450 154 HD3 LYS 19 HD3 LYS 19 -2.252 10.412 -2.795 155 HE2 LYS 19 HE2 LYS 19 -0.319 9.801 -3.889 156 HE3 LYS 19 HE3 LYS 19 -0.900 8.242 -3.313 157 HZ1 LYS 19 HZ1 LYS 19 -1.775 7.759 -5.478 158 HZ2 LYS 19 HZ2 LYS 19 -0.160 8.220 -5.650 159 HZ3 LYS 19 HZ3 LYS 19 -1.391 9.306 -6.040 160 H ALA 20 H ALA 20 -4.786 4.288 -3.581 161 HA ALA 20 HA ALA 20 -5.056 3.640 -6.415 162 HB1 ALA 20 HB1 ALA 20 -4.397 1.946 -4.003 163 HB2 ALA 20 HB2 ALA 20 -3.280 2.508 -5.251 164 HB3 ALA 20 HB3 ALA 20 -4.526 1.324 -5.652 165 H GLY 21 H GLY 21 -7.096 4.297 -3.976 166 HA2 GLY 21 HA2 GLY 21 -9.393 4.018 -3.870 167 HA3 GLY 21 HA3 GLY 21 -9.288 2.890 -5.215 168 H MET 22 H MET 22 -7.185 2.347 -2.562 169 HA MET 22 HA MET 22 -8.790 0.005 -1.829 170 HB2 MET 22 HB2 MET 22 -5.860 0.573 -1.335 171 HB3 MET 22 HB3 MET 22 -6.704 -0.895 -0.878 172 HG2 MET 22 HG2 MET 22 -6.344 0.093 -3.693 173 HG3 MET 22 HG3 MET 22 -5.395 -1.171 -2.916 174 HE1 MET 22 HE1 MET 22 -5.971 -2.714 -5.024 175 HE2 MET 22 HE2 MET 22 -6.972 -1.433 -5.707 176 HE3 MET 22 HE3 MET 22 -7.617 -3.066 -5.549 177 H ARG 23 H ARG 23 -7.959 -0.633 0.618 178 HA ARG 23 HA ARG 23 -9.228 1.456 2.184 179 HB2 ARG 23 HB2 ARG 23 -9.755 -1.027 2.361 180 HB3 ARG 23 HB3 ARG 23 -8.214 -1.204 3.175 181 HG2 ARG 23 HG2 ARG 23 -8.934 -0.184 5.066 182 HG3 ARG 23 HG3 ARG 23 -10.094 0.831 4.210 183 HD2 ARG 23 HD2 ARG 23 -11.128 -0.935 5.638 184 HD3 ARG 23 HD3 ARG 23 -11.608 -0.996 3.947 185 HE ARG 23 HE ARG 23 -9.526 -2.727 4.086 186 HH11 ARG 23 HH11 ARG 23 -12.503 -2.365 5.872 187 HH12 ARG 23 HH12 ARG 23 -12.664 -4.062 6.199 188 HH21 ARG 23 HH21 ARG 23 -9.741 -4.974 4.504 189 HH22 ARG 23 HH22 ARG 23 -11.097 -5.547 5.421 190 H PHE 24 H PHE 24 -6.416 -0.586 3.002 191 HA PHE 24 HA PHE 24 -4.919 1.869 3.622 192 HB2 PHE 24 HB2 PHE 24 -4.004 -0.417 5.167 193 HB3 PHE 24 HB3 PHE 24 -4.408 1.204 5.711 194 HD1 PHE 24 HD1 PHE 24 -5.692 -2.143 5.043 195 HD2 PHE 24 HD2 PHE 24 -6.512 1.654 6.754 196 HE1 PHE 24 HE1 PHE 24 -7.669 -3.074 6.123 197 HE2 PHE 24 HE2 PHE 24 -8.504 0.724 7.865 198 HZ PHE 24 HZ PHE 24 -9.084 -1.650 7.559 199 H GLY 25 H GLY 25 -2.495 1.071 3.989 200 HA2 GLY 25 HA2 GLY 25 -1.800 -0.791 1.823 201 HA3 GLY 25 HA3 GLY 25 -1.012 0.776 1.952 202 H LYS 26 H LYS 26 -0.969 -2.454 2.901 203 HA LYS 26 HA LYS 26 0.670 -1.991 5.268 204 HB2 LYS 26 HB2 LYS 26 -1.164 -3.751 5.179 205 HB3 LYS 26 HB3 LYS 26 -0.136 -4.635 4.059 206 HG2 LYS 26 HG2 LYS 26 1.602 -4.787 5.760 207 HG3 LYS 26 HG3 LYS 26 0.570 -3.907 6.890 208 HD2 LYS 26 HD2 LYS 26 -1.091 -5.697 6.768 209 HD3 LYS 26 HD3 LYS 26 -0.071 -6.570 5.621 210 HE2 LYS 26 HE2 LYS 26 0.662 -5.868 8.461 211 HE3 LYS 26 HE3 LYS 26 0.167 -7.460 7.887 212 HZ1 LYS 26 HZ1 LYS 26 2.580 -7.246 8.088 213 HZ2 LYS 26 HZ2 LYS 26 2.578 -5.991 6.956 214 HZ3 LYS 26 HZ3 LYS 26 2.114 -7.550 6.492 215 H CYS 27 H CYS 27 2.752 -3.101 5.456 216 HA CYS 27 HA CYS 27 4.179 -2.982 2.920 217 HB2 CYS 27 HB2 CYS 27 4.833 -2.263 5.554 218 HB3 CYS 27 HB3 CYS 27 5.851 -3.643 5.169 219 H ILE 28 H ILE 28 4.355 -4.756 1.780 220 HA ILE 28 HA ILE 28 4.359 -7.350 3.119 221 HB ILE 28 HB ILE 28 3.157 -6.350 0.727 222 HG12 ILE 28 HG12 ILE 28 2.045 -8.540 0.730 223 HG13 ILE 28 HG13 ILE 28 3.186 -9.117 1.940 224 HG21 ILE 28 HG21 ILE 28 5.123 -8.561 0.235 225 HG22 ILE 28 HG22 ILE 28 5.064 -6.986 -0.546 226 HG23 ILE 28 HG23 ILE 28 3.787 -8.167 -0.846 227 HD11 ILE 28 HD11 ILE 28 2.346 -7.274 3.427 228 HD12 ILE 28 HD12 ILE 28 1.196 -8.559 3.072 229 HD13 ILE 28 HD13 ILE 28 1.070 -7.010 2.244 230 H ASN 29 H ASN 29 5.918 -8.958 2.169 231 HA ASN 29 HA ASN 29 8.526 -8.040 2.509 232 HB2 ASN 29 HB2 ASN 29 7.651 -10.575 1.113 233 HB3 ASN 29 HB3 ASN 29 9.239 -10.265 1.808 234 HD21 ASN 29 HD21 ASN 29 5.945 -11.073 2.436 235 HD22 ASN 29 HD22 ASN 29 6.133 -11.425 4.119 236 H GLY 30 H GLY 30 8.827 -6.288 1.160 237 HA2 GLY 30 HA2 GLY 30 10.250 -5.711 -0.683 238 HA3 GLY 30 HA3 GLY 30 9.534 -7.030 -1.593 239 H LYS 31 H LYS 31 6.766 -6.173 -0.641 240 HA LYS 31 HA LYS 31 6.537 -4.075 -2.708 241 HB2 LYS 31 HB2 LYS 31 4.727 -6.470 -2.370 242 HB3 LYS 31 HB3 LYS 31 4.520 -5.188 -3.549 243 HG2 LYS 31 HG2 LYS 31 6.618 -5.829 -4.623 244 HG3 LYS 31 HG3 LYS 31 6.832 -7.116 -3.433 245 HD2 LYS 31 HD2 LYS 31 4.475 -6.893 -5.305 246 HD3 LYS 31 HD3 LYS 31 5.895 -7.896 -5.604 247 HE2 LYS 31 HE2 LYS 31 5.430 -9.219 -3.643 248 HE3 LYS 31 HE3 LYS 31 4.098 -8.155 -3.196 249 HZ1 LYS 31 HZ1 LYS 31 2.863 -8.863 -5.084 250 HZ2 LYS 31 HZ2 LYS 31 3.412 -10.256 -4.298 251 HZ3 LYS 31 HZ3 LYS 31 4.173 -9.727 -5.711 252 H CYS 32 H CYS 32 4.972 -2.529 -2.439 253 HA CYS 32 HA CYS 32 3.582 -2.367 0.083 254 HB2 CYS 32 HB2 CYS 32 3.678 -0.676 -2.401 255 HB3 CYS 32 HB3 CYS 32 2.493 -0.341 -1.147 256 H ASP 33 H ASP 33 2.048 -3.839 0.373 257 HA ASP 33 HA ASP 33 0.205 -4.424 -1.833 258 HB2 ASP 33 HB2 ASP 33 1.358 -6.342 -0.825 259 HB3 ASP 33 HB3 ASP 33 0.702 -5.921 0.751 260 H CYS 34 H CYS 34 -1.882 -3.855 -1.703 261 HA CYS 34 HA CYS 34 -2.575 -2.141 0.571 262 HB2 CYS 34 HB2 CYS 34 -3.977 -2.362 -2.089 263 HB3 CYS 34 HB3 CYS 34 -4.169 -1.093 -0.887 264 H THR 35 H THR 35 -4.470 -2.383 1.744 265 HA THR 35 HA THR 35 -5.704 -5.008 1.613 266 HB THR 35 HB THR 35 -6.462 -2.704 3.407 267 HG1 THR 35 HG1 THR 35 -4.200 -4.253 3.404 268 HG21 THR 35 HG21 THR 35 -8.075 -4.511 3.352 269 HG22 THR 35 HG22 THR 35 -7.228 -4.509 4.901 270 HG23 THR 35 HG23 THR 35 -6.800 -5.691 3.664 271 HA PRO 36 HA PRO 36 -8.967 -3.304 -0.956 272 HB2 PRO 36 HB2 PRO 36 -10.365 -5.822 -0.632 273 HB3 PRO 36 HB3 PRO 36 -9.613 -5.147 -2.076 274 HG2 PRO 36 HG2 PRO 36 -8.660 -7.339 -0.747 275 HG3 PRO 36 HG3 PRO 36 -7.657 -6.266 -1.733 276 HD2 PRO 36 HD2 PRO 36 -7.941 -6.401 1.232 277 HD3 PRO 36 HD3 PRO 36 -6.506 -6.056 0.245 278 H LYS 37 H LYS 37 -10.879 -2.342 -0.491 279 HA LYS 37 HA LYS 37 -11.861 -2.613 2.232 280 HB2 LYS 37 HB2 LYS 37 -13.263 -0.606 1.632 281 HB3 LYS 37 HB3 LYS 37 -11.527 -0.351 1.595 282 HG2 LYS 37 HG2 LYS 37 -11.553 -0.566 -0.845 283 HG3 LYS 37 HG3 LYS 37 -13.302 -0.799 -0.796 284 HD2 LYS 37 HD2 LYS 37 -13.541 1.424 0.244 285 HD3 LYS 37 HD3 LYS 37 -11.796 1.652 0.114 286 HE2 LYS 37 HE2 LYS 37 -11.954 1.451 -2.319 287 HE3 LYS 37 HE3 LYS 37 -13.696 1.221 -2.184 288 HZ1 LYS 37 HZ1 LYS 37 -13.160 3.491 -2.758 289 HZ2 LYS 37 HZ2 LYS 37 -12.203 3.651 -1.376 290 HZ3 LYS 37 HZ3 LYS 37 -13.871 3.433 -1.225
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