NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577847 | 2md0 | 19460 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 -18.808 24.227 -1.326 2 HB2 ASN 1 HB3 ASN 1 -17.425 26.540 0.073 3 HB3 ASN 1 HB2 ASN 1 -18.170 26.630 -1.524 4 HD21 ASN 1 HD21 ASN 1 -18.933 27.926 1.177 5 HD22 ASN 1 HD22 ASN 1 -20.571 27.530 1.369 6 H ASP 2 H ASP 2 -15.798 23.714 0.173 7 HA ASP 2 HA ASP 2 -14.105 24.462 -2.065 8 HB2 ASP 2 HB3 ASP 2 -13.615 22.660 0.326 9 HB3 ASP 2 HB2 ASP 2 -12.371 23.145 -0.828 10 H ILE 3 H ILE 3 -13.668 23.248 -3.858 11 HA ILE 3 HA ILE 3 -15.088 20.719 -4.238 12 HB ILE 3 HB ILE 3 -13.076 22.101 -6.039 13 HG12 ILE 3 HG13 ILE 3 -16.104 22.178 -6.138 14 HG13 ILE 3 HG12 ILE 3 -15.119 23.463 -5.434 15 HG21 ILE 3 HG21 ILE 3 -14.840 20.706 -7.619 16 HG22 ILE 3 HG22 ILE 3 -14.695 19.640 -6.219 17 HG23 ILE 3 HG23 ILE 3 -13.256 20.107 -7.124 18 HD11 ILE 3 HD11 ILE 3 -13.993 23.820 -7.570 19 HD12 ILE 3 HD12 ILE 3 -15.737 23.918 -7.806 20 HD13 ILE 3 HD13 ILE 3 -14.864 22.464 -8.285 21 H ARG 4 H ARG 4 -12.302 21.429 -2.640 22 HA ARG 4 HA ARG 4 -10.519 19.392 -3.675 23 HB2 ARG 4 HB3 ARG 4 -10.614 20.747 -0.965 24 HB3 ARG 4 HB2 ARG 4 -9.281 19.752 -1.550 25 HG2 ARG 4 HG3 ARG 4 -9.018 21.308 -3.484 26 HG3 ARG 4 HG2 ARG 4 -10.269 22.338 -2.784 27 HD2 ARG 4 HD3 ARG 4 -7.641 21.587 -1.473 28 HD3 ARG 4 HD2 ARG 4 -8.052 23.168 -2.140 29 HE ARG 4 HE ARG 4 -9.938 22.262 -0.104 30 HH11 ARG 4 HH21 ARG 4 -6.958 23.823 -0.829 31 HH12 ARG 4 HH22 ARG 4 -6.916 24.727 0.650 32 HH21 ARG 4 HH11 ARG 4 -9.910 23.430 1.829 33 HH22 ARG 4 HH12 ARG 4 -8.591 24.506 2.157 34 H THR 5 H THR 5 -13.427 19.155 -2.116 35 HA THR 5 HA THR 5 -12.723 16.788 -0.501 36 HB THR 5 HB THR 5 -14.421 18.664 0.132 37 HG1 THR 5 HG1 THR 5 -15.079 17.237 1.522 38 HG21 THR 5 HG21 THR 5 -15.567 18.253 -2.182 39 HG22 THR 5 HG22 THR 5 -16.574 18.543 -0.762 40 HG23 THR 5 HG23 THR 5 -16.344 16.899 -1.358 41 H ALA 6 H ALA 6 -13.415 17.416 -3.690 42 HA ALA 6 HA ALA 6 -15.268 15.321 -4.330 43 HB1 ALA 6 HB1 ALA 6 -14.054 15.510 -6.640 44 HB2 ALA 6 HB2 ALA 6 -13.235 16.884 -5.899 45 HB3 ALA 6 HB3 ALA 6 -14.991 16.882 -6.053 46 H ALA 7 H ALA 7 -11.811 15.370 -3.763 47 HA ALA 7 HA ALA 7 -11.407 12.686 -4.849 48 HB1 ALA 7 HB1 ALA 7 -9.626 14.468 -3.163 49 HB2 ALA 7 HB2 ALA 7 -9.553 14.265 -4.913 50 HB3 ALA 7 HB3 ALA 7 -9.129 12.922 -3.852 51 H ASP 8 H ASP 8 -11.717 10.827 -3.754 52 HA ASP 8 HA ASP 8 -12.180 11.005 -0.809 53 HB2 ASP 8 HB3 ASP 8 -13.131 8.987 -2.862 54 HB3 ASP 8 HB2 ASP 8 -13.391 8.822 -1.124 55 H MET 9 H MET 9 -9.708 10.471 -2.730 56 HA MET 9 HA MET 9 -8.822 7.900 -1.575 57 HB2 MET 9 HB3 MET 9 -7.714 9.730 -3.706 58 HB3 MET 9 HB2 MET 9 -6.763 8.396 -3.047 59 HG2 MET 9 HG3 MET 9 -9.471 7.562 -3.729 60 HG3 MET 9 HG2 MET 9 -8.615 8.216 -5.127 61 HE1 MET 9 HE1 MET 9 -7.076 6.519 -1.939 62 HE2 MET 9 HE2 MET 9 -7.153 4.818 -2.392 63 HE3 MET 9 HE3 MET 9 -8.642 5.740 -2.207 64 H GLU 10 H GLU 10 -9.037 10.768 -0.288 65 HA GLU 10 HA GLU 10 -6.360 11.475 0.463 66 HB2 GLU 10 HB3 GLU 10 -8.299 13.014 0.689 67 HB3 GLU 10 HB2 GLU 10 -8.945 11.980 1.965 68 HG2 GLU 10 HG3 GLU 10 -6.859 12.335 3.274 69 HG3 GLU 10 HG2 GLU 10 -6.286 13.436 2.023 70 H HIS 11 H HIS 11 -8.629 9.090 1.633 71 HA HIS 11 HA HIS 11 -6.814 8.526 3.929 72 HB2 HIS 11 HB3 HIS 11 -9.665 7.673 3.379 73 HB3 HIS 11 HB2 HIS 11 -8.713 7.112 4.752 74 HD1 HIS 11 HD1 HIS 11 -11.267 8.777 5.225 75 HD2 HIS 11 HD2 HIS 11 -7.450 10.433 4.952 76 HE1 HIS 11 HE1 HIS 11 -11.367 11.004 6.423 77 HE2 HIS 11 HE2 HIS 11 -9.047 12.020 6.270 78 H CYS 12 H CYS 12 -5.451 6.876 3.682 79 HA CYS 12 HA CYS 12 -6.075 4.801 1.623 80 HB2 CYS 12 HB3 CYS 12 -3.426 5.582 2.868 81 HB3 CYS 12 HB2 CYS 12 -3.642 4.365 1.611 82 H ALA 13 H ALA 13 -5.950 2.608 2.235 83 HA ALA 13 HA ALA 13 -5.339 2.052 5.094 84 HB1 ALA 13 HB1 ALA 13 -7.783 2.281 4.904 85 HB2 ALA 13 HB2 ALA 13 -7.332 0.616 5.265 86 HB3 ALA 13 HB3 ALA 13 -7.801 1.067 3.625 87 H ASP 14 H ASP 14 -4.676 -0.147 5.482 88 HA ASP 14 HA ASP 14 -3.344 -1.364 3.195 89 HB2 ASP 14 HB3 ASP 14 -2.572 -3.043 4.819 90 HB3 ASP 14 HB2 ASP 14 -2.332 -1.416 5.455 91 H GLU 15 H GLU 15 -3.892 -3.424 2.266 92 HA GLU 15 HA GLU 15 -6.714 -3.918 2.087 93 HB2 GLU 15 HB3 GLU 15 -4.334 -4.873 0.793 94 HB3 GLU 15 HB2 GLU 15 -5.310 -6.257 1.277 95 HG2 GLU 15 HG3 GLU 15 -7.183 -4.456 0.253 96 HG3 GLU 15 HG2 GLU 15 -5.800 -4.295 -0.830 97 H LYS 16 H LYS 16 -8.011 -5.325 3.180 98 HA LYS 16 HA LYS 16 -6.971 -6.550 5.621 99 HB2 LYS 16 HB3 LYS 16 -9.284 -7.111 6.075 100 HB3 LYS 16 HB2 LYS 16 -9.238 -5.466 5.443 101 HG2 LYS 16 HG3 LYS 16 -9.741 -6.378 3.166 102 HG3 LYS 16 HG2 LYS 16 -9.928 -7.978 3.890 103 HD2 LYS 16 HD3 LYS 16 -11.655 -6.948 5.441 104 HD3 LYS 16 HD2 LYS 16 -11.588 -5.508 4.426 105 HE2 LYS 16 HE3 LYS 16 -12.384 -8.303 3.572 106 HE3 LYS 16 HE2 LYS 16 -13.417 -6.879 3.645 107 HZ1 LYS 16 HZ1 LYS 16 -12.556 -7.456 1.391 108 HZ2 LYS 16 HZ2 LYS 16 -11.002 -7.037 1.937 109 HZ3 LYS 16 HZ3 LYS 16 -12.234 -5.869 1.892 110 H ASN 17 H ASN 17 -7.805 -7.557 2.383 111 HA ASN 17 HA ASN 17 -7.713 -10.421 3.102 112 HB2 ASN 17 HB3 ASN 17 -8.080 -9.039 0.426 113 HB3 ASN 17 HB2 ASN 17 -8.236 -10.773 0.707 114 HD21 ASN 17 HD21 ASN 17 -10.165 -8.193 0.233 115 HD22 ASN 17 HD22 ASN 17 -11.473 -8.582 1.243 116 H PHE 18 H PHE 18 -5.501 -8.006 2.296 117 HA PHE 18 HA PHE 18 -3.621 -9.959 1.042 118 HB2 PHE 18 HB3 PHE 18 -4.078 -7.696 -0.059 119 HB3 PHE 18 HB2 PHE 18 -3.250 -6.965 1.316 120 HD1 PHE 18 HD1 PHE 18 -0.848 -7.320 1.689 121 HD2 PHE 18 HD2 PHE 18 -2.864 -9.013 -1.704 122 HE1 PHE 18 HE1 PHE 18 1.339 -7.769 0.618 123 HE2 PHE 18 HE2 PHE 18 -0.673 -9.462 -2.778 124 HZ PHE 18 HZ PHE 18 1.429 -8.836 -1.617 125 H ASP 19 H ASP 19 -1.874 -10.655 2.227 126 HA ASP 19 HA ASP 19 -1.685 -9.827 5.024 127 HB2 ASP 19 HB3 ASP 19 0.084 -11.679 3.395 128 HB3 ASP 19 HB2 ASP 19 0.113 -11.500 5.151 129 H CYS 20 H CYS 20 -1.114 -7.572 4.714 130 HA CYS 20 HA CYS 20 1.238 -6.785 3.238 131 HB2 CYS 20 HB3 CYS 20 -0.030 -5.270 5.527 132 HB3 CYS 20 HB2 CYS 20 0.860 -4.615 4.150 133 H ARG 21 H ARG 21 0.597 -7.707 6.571 134 HA ARG 21 HA ARG 21 3.056 -6.863 7.734 135 HB2 ARG 21 HB3 ARG 21 0.881 -7.848 8.808 136 HB3 ARG 21 HB2 ARG 21 1.652 -9.406 8.528 137 HG2 ARG 21 HG3 ARG 21 2.881 -7.109 10.074 138 HG3 ARG 21 HG2 ARG 21 2.132 -8.532 10.794 139 HD2 ARG 21 HD3 ARG 21 3.792 -9.930 9.454 140 HD3 ARG 21 HD2 ARG 21 4.628 -8.418 9.096 141 HE ARG 21 HE ARG 21 4.592 -9.772 11.683 142 HH11 ARG 21 HH21 ARG 21 4.981 -6.849 9.898 143 HH12 ARG 21 HH22 ARG 21 5.966 -6.090 11.103 144 HH21 ARG 21 HH11 ARG 21 5.860 -8.799 13.267 145 HH22 ARG 21 HH12 ARG 21 6.463 -7.196 13.015 146 H ARG 22 H ARG 22 2.116 -10.005 6.314 147 HA ARG 22 HA ARG 22 4.725 -11.188 6.579 148 HB2 ARG 22 HB3 ARG 22 3.159 -12.830 6.211 149 HB3 ARG 22 HB2 ARG 22 2.205 -11.821 5.128 150 HG2 ARG 22 HG3 ARG 22 3.719 -12.155 3.313 151 HG3 ARG 22 HG2 ARG 22 4.934 -12.868 4.375 152 HD2 ARG 22 HD3 ARG 22 3.446 -14.783 4.804 153 HD3 ARG 22 HD2 ARG 22 2.214 -14.061 3.770 154 HE ARG 22 HE ARG 22 3.446 -14.780 1.889 155 HH11 ARG 22 HH21 ARG 22 5.317 -14.853 4.781 156 HH12 ARG 22 HH22 ARG 22 6.672 -15.641 4.045 157 HH21 ARG 22 HH11 ARG 22 5.204 -15.806 0.908 158 HH22 ARG 22 HH12 ARG 22 6.608 -16.179 1.851 159 H SER 23 H SER 23 3.059 -9.541 3.913 160 HA SER 23 HA SER 23 5.171 -9.827 2.007 161 HB2 SER 23 HB3 SER 23 3.009 -7.722 2.276 162 HB3 SER 23 HB2 SER 23 4.042 -7.905 0.862 163 HG SER 23 HG SER 23 1.859 -9.329 1.635 164 H LEU 24 H LEU 24 4.510 -7.422 4.526 165 HA LEU 24 HA LEU 24 6.526 -5.545 3.728 166 HB2 LEU 24 HB3 LEU 24 4.742 -4.940 5.298 167 HB3 LEU 24 HB2 LEU 24 5.370 -6.095 6.477 168 HG LEU 24 HG LEU 24 7.574 -4.816 6.382 169 HD11 LEU 24 HD11 LEU 24 5.825 -3.092 4.661 170 HD12 LEU 24 HD12 LEU 24 7.520 -3.530 4.444 171 HD13 LEU 24 HD13 LEU 24 7.065 -2.335 5.659 172 HD21 LEU 24 HD21 LEU 24 6.424 -2.759 7.610 173 HD22 LEU 24 HD22 LEU 24 6.428 -4.368 8.332 174 HD23 LEU 24 HD23 LEU 24 4.994 -3.787 7.485 175 H ARG 25 H ARG 25 6.619 -8.209 6.122 176 HA ARG 25 HA ARG 25 9.377 -7.731 6.817 177 HB2 ARG 25 HB3 ARG 25 9.284 -9.909 7.921 178 HB3 ARG 25 HB2 ARG 25 7.803 -9.016 8.260 179 HG2 ARG 25 HG3 ARG 25 6.718 -10.218 6.349 180 HG3 ARG 25 HG2 ARG 25 8.164 -11.221 6.213 181 HD2 ARG 25 HD3 ARG 25 7.862 -11.885 8.606 182 HD3 ARG 25 HD2 ARG 25 6.349 -10.981 8.633 183 HE ARG 25 HE ARG 25 6.535 -12.998 6.510 184 HH11 ARG 25 HH21 ARG 25 5.615 -12.155 9.724 185 HH12 ARG 25 HH22 ARG 25 4.484 -13.458 9.885 186 HH21 ARG 25 HH11 ARG 25 5.062 -14.709 6.701 187 HH22 ARG 25 HH12 ARG 25 4.172 -14.905 8.174 188 H ASN 26 H ASN 26 7.782 -9.385 4.225 189 HA ASN 26 HA ASN 26 10.089 -10.967 3.401 190 HB2 ASN 26 HB3 ASN 26 7.558 -10.142 1.945 191 HB3 ASN 26 HB2 ASN 26 8.749 -11.267 1.299 192 HD21 ASN 26 HD21 ASN 26 5.960 -11.930 1.927 193 HD22 ASN 26 HD22 ASN 26 6.000 -13.120 3.136 194 H GLY 27 H GLY 27 9.481 -7.708 3.415 195 HA2 GLY 27 HA3 GLY 27 10.784 -5.969 2.478 196 HA3 GLY 27 HA2 GLY 27 11.651 -7.178 1.527 197 H ASP 28 H ASP 28 8.178 -7.196 1.466 198 HA ASP 28 HA ASP 28 8.029 -7.008 -1.357 199 HB2 ASP 28 HB3 ASP 28 6.232 -7.875 0.188 200 HB3 ASP 28 HB2 ASP 28 5.852 -6.199 0.586 201 H CYS 29 H CYS 29 7.778 -4.499 1.144 202 HA CYS 29 HA CYS 29 7.101 -2.352 -0.657 203 HB2 CYS 29 HB3 CYS 29 8.667 -2.101 1.925 204 HB3 CYS 29 HB2 CYS 29 7.641 -0.885 1.165 205 H ASP 30 H ASP 30 10.027 -4.055 0.049 206 HA ASP 30 HA ASP 30 11.722 -1.914 -1.085 207 HB2 ASP 30 HB3 ASP 30 12.366 -4.626 0.101 208 HB3 ASP 30 HB2 ASP 30 13.580 -3.519 -0.545 209 H ASN 31 H ASN 31 9.851 -4.368 -2.318 210 HA ASN 31 HA ASN 31 11.774 -5.047 -4.483 211 HB2 ASN 31 HB3 ASN 31 10.405 -6.828 -3.312 212 HB3 ASN 31 HB2 ASN 31 8.975 -6.116 -4.053 213 HD21 ASN 31 HD21 ASN 31 9.440 -8.695 -4.790 214 HD22 ASN 31 HD22 ASN 31 10.090 -8.787 -6.355 215 H ASP 32 H ASP 32 11.750 -3.630 -6.166 216 HA ASP 32 HA ASP 32 9.753 -1.694 -6.677 217 HB2 ASP 32 HB3 ASP 32 12.090 -1.737 -7.650 218 HB3 ASP 32 HB2 ASP 32 11.525 -2.973 -8.772 219 H ASP 33 H ASP 33 10.044 -5.032 -7.744 220 HA ASP 33 HA ASP 33 7.974 -4.975 -9.725 221 HB2 ASP 33 HB3 ASP 33 9.695 -6.810 -9.391 222 HB3 ASP 33 HB2 ASP 33 8.746 -7.340 -7.999 223 H LYS 34 H LYS 34 7.896 -5.099 -6.240 224 HA LYS 34 HA LYS 34 4.964 -5.667 -6.365 225 HB2 LYS 34 HB3 LYS 34 6.739 -5.789 -3.917 226 HB3 LYS 34 HB2 LYS 34 5.102 -6.427 -4.095 227 HG2 LYS 34 HG3 LYS 34 6.081 -7.877 -5.998 228 HG3 LYS 34 HG2 LYS 34 7.654 -7.454 -5.324 229 HD2 LYS 34 HD3 LYS 34 6.909 -8.303 -3.110 230 HD3 LYS 34 HD2 LYS 34 5.385 -8.805 -3.843 231 HE2 LYS 34 HE3 LYS 34 8.141 -9.918 -4.272 232 HE3 LYS 34 HE2 LYS 34 6.630 -10.774 -3.971 233 HZ1 LYS 34 HZ1 LYS 34 7.156 -9.220 -6.438 234 HZ2 LYS 34 HZ2 LYS 34 5.874 -10.294 -6.144 235 HZ3 LYS 34 HZ3 LYS 34 7.460 -10.884 -6.307 236 H LEU 35 H LEU 35 7.114 -3.145 -6.113 237 HA LEU 35 HA LEU 35 6.104 -1.561 -4.005 238 HB2 LEU 35 HB3 LEU 35 7.396 -0.948 -6.639 239 HB3 LEU 35 HB2 LEU 35 6.684 0.376 -5.719 240 HG LEU 35 HG LEU 35 8.749 -1.576 -4.660 241 HD11 LEU 35 HD11 LEU 35 9.355 1.308 -4.829 242 HD12 LEU 35 HD12 LEU 35 9.178 0.512 -6.393 243 HD13 LEU 35 HD13 LEU 35 10.367 -0.080 -5.231 244 HD21 LEU 35 HD21 LEU 35 7.845 -0.904 -2.682 245 HD22 LEU 35 HD22 LEU 35 6.988 0.442 -3.428 246 HD23 LEU 35 HD23 LEU 35 8.689 0.611 -2.999 247 H LEU 36 H LEU 36 4.919 -1.944 -7.343 248 HA LEU 36 HA LEU 36 2.772 -0.044 -7.069 249 HB2 LEU 36 HB3 LEU 36 3.606 -0.894 -9.270 250 HB3 LEU 36 HB2 LEU 36 2.909 -2.471 -8.889 251 HG LEU 36 HG LEU 36 1.042 -0.213 -8.547 252 HD11 LEU 36 HD11 LEU 36 2.295 0.564 -10.536 253 HD12 LEU 36 HD12 LEU 36 0.656 0.071 -10.963 254 HD13 LEU 36 HD13 LEU 36 2.017 -0.995 -11.313 255 HD21 LEU 36 HD21 LEU 36 0.958 -2.874 -10.008 256 HD22 LEU 36 HD22 LEU 36 -0.429 -1.805 -9.787 257 HD23 LEU 36 HD23 LEU 36 0.338 -2.556 -8.387 258 H GLU 37 H GLU 37 3.060 -3.535 -6.519 259 HA GLU 37 HA GLU 37 0.307 -4.057 -6.000 260 HB2 GLU 37 HB3 GLU 37 2.753 -5.372 -4.769 261 HB3 GLU 37 HB2 GLU 37 1.124 -6.041 -4.777 262 HG2 GLU 37 HG3 GLU 37 1.160 -6.010 -7.273 263 HG3 GLU 37 HG2 GLU 37 2.834 -5.457 -7.211 264 H MET 38 H MET 38 2.942 -2.944 -3.909 265 HA MET 38 HA MET 38 1.420 -3.019 -1.461 266 HB2 MET 38 HB3 MET 38 3.900 -1.513 -2.296 267 HB3 MET 38 HB2 MET 38 3.261 -1.503 -0.653 268 HG2 MET 38 HG3 MET 38 4.015 -3.994 -2.195 269 HG3 MET 38 HG2 MET 38 5.041 -3.222 -0.992 270 HE1 MET 38 HE1 MET 38 2.887 -6.343 -1.183 271 HE2 MET 38 HE2 MET 38 2.043 -5.022 -1.988 272 HE3 MET 38 HE3 MET 38 1.344 -5.759 -0.548 273 H GLY 39 H GLY 39 2.219 -0.371 -3.720 274 HA2 GLY 39 HA3 GLY 39 0.896 1.700 -2.299 275 HA3 GLY 39 HA2 GLY 39 1.137 1.691 -4.049 276 H TYR 40 H TYR 40 -0.286 -0.908 -4.269 277 HA TYR 40 HA TYR 40 -3.018 0.214 -4.329 278 HB2 TYR 40 HB3 TYR 40 -2.224 -0.818 -6.379 279 HB3 TYR 40 HB2 TYR 40 -1.804 -2.298 -5.514 280 HD1 TYR 40 HD1 TYR 40 -3.552 -3.758 -4.595 281 HD2 TYR 40 HD2 TYR 40 -4.522 -0.310 -6.953 282 HE1 TYR 40 HE1 TYR 40 -5.852 -4.626 -4.907 283 HE2 TYR 40 HE2 TYR 40 -6.829 -1.172 -7.266 284 HH TYR 40 HH TYR 40 -8.320 -3.072 -5.585 285 H TYR 41 H TYR 41 -1.443 -2.827 -3.263 286 HA TYR 41 HA TYR 41 -3.816 -3.624 -1.775 287 HB2 TYR 41 HB3 TYR 41 -1.035 -4.776 -2.008 288 HB3 TYR 41 HB2 TYR 41 -2.284 -5.494 -0.992 289 HD1 TYR 41 HD1 TYR 41 -4.563 -5.999 -2.119 290 HD2 TYR 41 HD2 TYR 41 -0.939 -5.290 -4.300 291 HE1 TYR 41 HE1 TYR 41 -5.542 -7.113 -4.100 292 HE2 TYR 41 HE2 TYR 41 -1.913 -6.408 -6.286 293 HH TYR 41 HH TYR 41 -4.796 -8.244 -6.124 294 H CYS 42 H CYS 42 -0.519 -2.550 -0.817 295 HA CYS 42 HA CYS 42 -1.737 -1.822 1.800 296 HB2 CYS 42 HB3 CYS 42 1.001 -3.057 1.632 297 HB3 CYS 42 HB2 CYS 42 -0.034 -2.856 3.045 298 HA PRO 43 HA PRO 43 0.840 1.622 -0.058 299 HB2 PRO 43 HB3 PRO 43 -1.058 3.554 0.434 300 HB3 PRO 43 HB2 PRO 43 -0.978 2.622 -1.075 301 HG2 PRO 43 HG3 PRO 43 -2.717 2.217 1.312 302 HG3 PRO 43 HG2 PRO 43 -3.128 2.109 -0.409 303 HD2 PRO 43 HD3 PRO 43 -2.702 -0.100 1.083 304 HD3 PRO 43 HD2 PRO 43 -2.221 -0.028 -0.628 305 H VAL 44 H VAL 44 -1.144 1.355 2.843 306 HA VAL 44 HA VAL 44 0.320 3.417 4.294 307 HB VAL 44 HB VAL 44 -1.586 1.267 5.256 308 HG11 VAL 44 HG11 VAL 44 -0.200 3.571 6.607 309 HG12 VAL 44 HG12 VAL 44 -0.398 1.914 7.172 310 HG13 VAL 44 HG13 VAL 44 -1.772 3.018 7.181 311 HG21 VAL 44 HG21 VAL 44 -2.433 3.048 3.614 312 HG22 VAL 44 HG22 VAL 44 -2.105 4.227 4.884 313 HG23 VAL 44 HG23 VAL 44 -3.284 2.946 5.155 314 H THR 45 H THR 45 0.232 -0.147 4.330 315 HA THR 45 HA THR 45 2.082 -0.543 6.438 316 HB THR 45 HB THR 45 1.776 -2.280 3.979 317 HG1 THR 45 HG1 THR 45 0.139 -1.754 6.128 318 HG21 THR 45 HG21 THR 45 3.691 -2.916 5.290 319 HG22 THR 45 HG22 THR 45 2.406 -4.067 5.645 320 HG23 THR 45 HG23 THR 45 2.775 -2.779 6.788 321 H CYS 46 H CYS 46 2.694 -0.022 2.965 322 HA CYS 46 HA CYS 46 5.574 -0.388 3.392 323 HB2 CYS 46 HB3 CYS 46 3.924 0.336 0.969 324 HB3 CYS 46 HB2 CYS 46 5.687 0.278 0.943 325 H GLY 47 H GLY 47 3.504 2.123 4.012 326 HA2 GLY 47 HA3 GLY 47 4.063 4.305 4.717 327 HA3 GLY 47 HA2 GLY 47 5.737 3.968 4.278 328 H PHE 48 H PHE 48 2.913 3.746 2.121 329 HA PHE 48 HA PHE 48 4.198 5.879 0.460 330 HB2 PHE 48 HB3 PHE 48 2.173 3.781 -0.377 331 HB3 PHE 48 HB2 PHE 48 2.995 4.921 -1.440 332 HD1 PHE 48 HD1 PHE 48 5.691 4.618 0.301 333 HD2 PHE 48 HD2 PHE 48 3.051 1.893 -1.712 334 HE1 PHE 48 HE1 PHE 48 7.558 3.018 0.017 335 HE2 PHE 48 HE2 PHE 48 4.927 0.298 -1.996 336 HZ PHE 48 HZ PHE 48 7.174 0.856 -1.129 337 H CYS 49 H CYS 49 1.621 5.152 2.498 338 HA CYS 49 HA CYS 49 0.370 7.749 1.937 339 HB2 CYS 49 HB3 CYS 49 -0.690 5.789 0.494 340 HB3 CYS 49 HB2 CYS 49 -1.497 5.408 2.012 341 H GLU 50 H GLU 50 -1.563 7.974 3.600 342 HA GLU 50 HA GLU 50 -0.557 6.878 6.184 343 HB2 GLU 50 HB3 GLU 50 -1.802 9.435 5.338 344 HB3 GLU 50 HB2 GLU 50 -2.308 8.820 6.912 345 HG2 GLU 50 HG3 GLU 50 0.006 8.690 7.657 346 HG3 GLU 50 HG2 GLU 50 0.579 9.158 6.055 347 HA PRO 51 HA PRO 51 -4.209 4.454 6.730 348 HB2 PRO 51 HB3 PRO 51 -4.595 4.644 9.436 349 HB3 PRO 51 HB2 PRO 51 -3.311 3.670 8.695 350 HG2 PRO 51 HG3 PRO 51 -3.161 6.356 9.957 351 HG3 PRO 51 HG2 PRO 51 -2.004 5.015 10.007 352 HD2 PRO 51 HD3 PRO 51 -1.682 7.214 8.394 353 HD3 PRO 51 HD2 PRO 51 -1.019 5.609 8.008 Start of MODEL 2 1 HA ASN 1 HA ASN 1 0.866 20.226 -2.254 2 HB2 ASN 1 HB3 ASN 1 -0.429 19.161 -0.308 3 HB3 ASN 1 HB2 ASN 1 -1.538 18.544 -1.533 4 HD21 ASN 1 HD21 ASN 1 -0.451 16.454 -0.409 5 HD22 ASN 1 HD22 ASN 1 0.898 15.836 -1.229 6 H ASP 2 H ASP 2 -0.536 17.829 -3.429 7 HA ASP 2 HA ASP 2 -0.677 18.771 -6.144 8 HB2 ASP 2 HB3 ASP 2 -1.632 16.171 -4.902 9 HB3 ASP 2 HB2 ASP 2 -1.530 16.477 -6.637 10 H ILE 3 H ILE 3 -2.502 19.203 -7.436 11 HA ILE 3 HA ILE 3 -4.886 20.077 -6.036 12 HB ILE 3 HB ILE 3 -4.384 19.718 -9.009 13 HG12 ILE 3 HG13 ILE 3 -4.317 22.230 -7.314 14 HG13 ILE 3 HG12 ILE 3 -2.874 21.322 -7.766 15 HG21 ILE 3 HG21 ILE 3 -6.701 20.640 -7.406 16 HG22 ILE 3 HG22 ILE 3 -6.654 19.995 -9.047 17 HG23 ILE 3 HG23 ILE 3 -6.253 21.687 -8.754 18 HD11 ILE 3 HD11 ILE 3 -3.669 21.565 -10.190 19 HD12 ILE 3 HD12 ILE 3 -3.074 23.030 -9.412 20 HD13 ILE 3 HD13 ILE 3 -4.809 22.765 -9.584 21 H ARG 4 H ARG 4 -3.835 17.045 -6.787 22 HA ARG 4 HA ARG 4 -6.368 15.901 -7.711 23 HB2 ARG 4 HB3 ARG 4 -3.870 14.576 -6.606 24 HB3 ARG 4 HB2 ARG 4 -5.224 13.727 -7.348 25 HG2 ARG 4 HG3 ARG 4 -4.853 15.008 -9.442 26 HG3 ARG 4 HG2 ARG 4 -3.455 15.787 -8.693 27 HD2 ARG 4 HD3 ARG 4 -2.515 13.466 -8.284 28 HD3 ARG 4 HD2 ARG 4 -3.809 12.844 -9.310 29 HE ARG 4 HE ARG 4 -2.664 13.708 -11.188 30 HH11 ARG 4 HH21 ARG 4 -1.515 15.006 -8.213 31 HH12 ARG 4 HH22 ARG 4 -0.156 15.808 -8.930 32 HH21 ARG 4 HH11 ARG 4 -0.900 14.747 -12.149 33 HH22 ARG 4 HH12 ARG 4 0.195 15.658 -11.162 34 H THR 5 H THR 5 -5.555 17.250 -4.880 35 HA THR 5 HA THR 5 -6.359 15.248 -2.966 36 HB THR 5 HB THR 5 -5.068 17.545 -2.684 37 HG1 THR 5 HG1 THR 5 -6.949 16.511 -0.832 38 HG21 THR 5 HG21 THR 5 -7.853 18.384 -1.887 39 HG22 THR 5 HG22 THR 5 -7.195 18.755 -3.482 40 HG23 THR 5 HG23 THR 5 -6.408 19.382 -2.033 41 H ALA 6 H ALA 6 -8.131 16.608 -5.362 42 HA ALA 6 HA ALA 6 -10.551 17.325 -3.917 43 HB1 ALA 6 HB1 ALA 6 -10.694 18.322 -5.964 44 HB2 ALA 6 HB2 ALA 6 -11.415 16.784 -6.442 45 HB3 ALA 6 HB3 ALA 6 -9.703 17.087 -6.743 46 H ALA 7 H ALA 7 -9.132 14.354 -4.971 47 HA ALA 7 HA ALA 7 -11.602 12.842 -5.169 48 HB1 ALA 7 HB1 ALA 7 -9.087 11.428 -4.470 49 HB2 ALA 7 HB2 ALA 7 -9.067 12.349 -5.975 50 HB3 ALA 7 HB3 ALA 7 -10.263 11.076 -5.734 51 H ASP 8 H ASP 8 -12.289 11.184 -3.619 52 HA ASP 8 HA ASP 8 -11.858 12.090 -0.834 53 HB2 ASP 8 HB3 ASP 8 -13.741 10.024 -2.018 54 HB3 ASP 8 HB2 ASP 8 -13.680 10.459 -0.310 55 H MET 9 H MET 9 -10.079 10.295 -2.761 56 HA MET 9 HA MET 9 -9.808 7.884 -1.109 57 HB2 MET 9 HB3 MET 9 -8.431 8.891 -3.596 58 HB3 MET 9 HB2 MET 9 -7.834 7.481 -2.723 59 HG2 MET 9 HG3 MET 9 -10.731 7.410 -3.178 60 HG3 MET 9 HG2 MET 9 -9.794 7.440 -4.672 61 HE1 MET 9 HE1 MET 9 -8.657 6.015 -1.161 62 HE2 MET 9 HE2 MET 9 -9.391 4.416 -1.234 63 HE3 MET 9 HE3 MET 9 -10.416 5.848 -1.282 64 H GLU 10 H GLU 10 -9.125 10.724 -0.142 65 HA GLU 10 HA GLU 10 -6.274 10.818 0.211 66 HB2 GLU 10 HB3 GLU 10 -7.819 12.766 0.521 67 HB3 GLU 10 HB2 GLU 10 -8.413 12.009 2.001 68 HG2 GLU 10 HG3 GLU 10 -6.083 12.006 2.892 69 HG3 GLU 10 HG2 GLU 10 -5.559 12.868 1.444 70 H HIS 11 H HIS 11 -8.676 8.816 1.535 71 HA HIS 11 HA HIS 11 -7.057 8.232 3.960 72 HB2 HIS 11 HB3 HIS 11 -9.792 7.236 3.097 73 HB3 HIS 11 HB2 HIS 11 -8.994 6.818 4.612 74 HD1 HIS 11 HD1 HIS 11 -10.849 9.571 2.911 75 HD2 HIS 11 HD2 HIS 11 -8.744 9.006 6.469 76 HE1 HIS 11 HE1 HIS 11 -11.401 11.552 4.395 77 HE2 HIS 11 HE2 HIS 11 -10.127 11.215 6.563 78 H CYS 12 H CYS 12 -5.558 6.675 3.751 79 HA CYS 12 HA CYS 12 -5.997 4.547 1.697 80 HB2 CYS 12 HB3 CYS 12 -3.415 5.528 2.942 81 HB3 CYS 12 HB2 CYS 12 -3.549 4.297 1.688 82 H ALA 13 H ALA 13 -5.993 2.424 2.393 83 HA ALA 13 HA ALA 13 -5.198 1.913 5.223 84 HB1 ALA 13 HB1 ALA 13 -7.609 2.159 5.262 85 HB2 ALA 13 HB2 ALA 13 -7.220 0.448 5.445 86 HB3 ALA 13 HB3 ALA 13 -7.781 1.062 3.889 87 H ASP 14 H ASP 14 -4.466 -0.227 5.621 88 HA ASP 14 HA ASP 14 -3.236 -1.544 3.370 89 HB2 ASP 14 HB3 ASP 14 -3.652 -2.406 6.246 90 HB3 ASP 14 HB2 ASP 14 -2.713 -3.334 5.074 91 H GLU 15 H GLU 15 -3.949 -3.351 2.225 92 HA GLU 15 HA GLU 15 -6.731 -3.850 2.055 93 HB2 GLU 15 HB3 GLU 15 -4.355 -4.846 0.803 94 HB3 GLU 15 HB2 GLU 15 -5.341 -6.221 1.283 95 HG2 GLU 15 HG3 GLU 15 -7.173 -4.382 0.214 96 HG3 GLU 15 HG2 GLU 15 -5.780 -4.308 -0.860 97 H LYS 16 H LYS 16 -8.077 -5.329 3.056 98 HA LYS 16 HA LYS 16 -7.062 -6.532 5.533 99 HB2 LYS 16 HB3 LYS 16 -9.374 -7.095 5.976 100 HB3 LYS 16 HB2 LYS 16 -9.314 -5.442 5.363 101 HG2 LYS 16 HG3 LYS 16 -9.826 -6.318 3.080 102 HG3 LYS 16 HG2 LYS 16 -10.022 -7.926 3.781 103 HD2 LYS 16 HD3 LYS 16 -11.718 -6.870 5.374 104 HD3 LYS 16 HD2 LYS 16 -11.667 -5.452 4.324 105 HE2 LYS 16 HE3 LYS 16 -13.438 -6.663 3.396 106 HE3 LYS 16 HE2 LYS 16 -12.080 -7.198 2.406 107 HZ1 LYS 16 HZ1 LYS 16 -13.678 -8.912 3.531 108 HZ2 LYS 16 HZ2 LYS 16 -12.675 -8.658 4.877 109 HZ3 LYS 16 HZ3 LYS 16 -12.016 -9.227 3.418 110 H ASN 17 H ASN 17 -7.827 -7.545 2.285 111 HA ASN 17 HA ASN 17 -7.753 -10.403 3.055 112 HB2 ASN 17 HB3 ASN 17 -8.117 -9.072 0.353 113 HB3 ASN 17 HB2 ASN 17 -8.255 -10.803 0.663 114 HD21 ASN 17 HD21 ASN 17 -10.208 -8.242 0.150 115 HD22 ASN 17 HD22 ASN 17 -11.517 -8.641 1.153 116 H PHE 18 H PHE 18 -5.518 -8.023 2.364 117 HA PHE 18 HA PHE 18 -3.637 -9.977 1.106 118 HB2 PHE 18 HB3 PHE 18 -4.079 -7.726 -0.026 119 HB3 PHE 18 HB2 PHE 18 -3.241 -6.987 1.340 120 HD1 PHE 18 HD2 PHE 18 -2.878 -9.224 -1.578 121 HD2 PHE 18 HD1 PHE 18 -0.856 -7.256 1.659 122 HE1 PHE 18 HE2 PHE 18 -0.692 -9.747 -2.629 123 HE2 PHE 18 HE1 PHE 18 1.327 -7.768 0.605 124 HZ PHE 18 HZ PHE 18 1.414 -9.013 -1.538 125 H ASP 19 H ASP 19 -1.891 -10.649 2.296 126 HA ASP 19 HA ASP 19 -1.719 -9.804 5.092 127 HB2 ASP 19 HB3 ASP 19 0.027 -11.678 3.460 128 HB3 ASP 19 HB2 ASP 19 0.113 -11.465 5.210 129 H CYS 20 H CYS 20 -1.152 -7.546 4.762 130 HA CYS 20 HA CYS 20 1.183 -6.718 3.295 131 HB2 CYS 20 HB3 CYS 20 -0.052 -5.306 5.675 132 HB3 CYS 20 HB2 CYS 20 0.840 -4.581 4.336 133 H ARG 21 H ARG 21 0.606 -7.744 6.608 134 HA ARG 21 HA ARG 21 3.099 -6.999 7.762 135 HB2 ARG 21 HB3 ARG 21 0.953 -7.948 8.868 136 HB3 ARG 21 HB2 ARG 21 1.600 -9.531 8.447 137 HG2 ARG 21 HG3 ARG 21 3.213 -7.494 9.996 138 HG3 ARG 21 HG2 ARG 21 2.158 -8.659 10.791 139 HD2 ARG 21 HD3 ARG 21 3.432 -10.455 9.435 140 HD3 ARG 21 HD2 ARG 21 4.625 -9.190 9.139 141 HE ARG 21 HE ARG 21 5.344 -9.436 11.362 142 HH11 ARG 21 HH21 ARG 21 2.171 -10.720 10.908 143 HH12 ARG 21 HH22 ARG 21 2.050 -11.346 12.518 144 HH21 ARG 21 HH11 ARG 21 5.198 -10.246 13.465 145 HH22 ARG 21 HH12 ARG 21 3.762 -11.076 13.964 146 H ARG 22 H ARG 22 2.070 -9.990 6.117 147 HA ARG 22 HA ARG 22 4.628 -11.294 6.372 148 HB2 ARG 22 HB3 ARG 22 2.945 -12.821 5.920 149 HB3 ARG 22 HB2 ARG 22 2.136 -11.741 4.784 150 HG2 ARG 22 HG3 ARG 22 3.719 -12.157 3.078 151 HG3 ARG 22 HG2 ARG 22 4.855 -12.896 4.207 152 HD2 ARG 22 HD3 ARG 22 3.786 -14.669 2.949 153 HD3 ARG 22 HD2 ARG 22 3.168 -14.721 4.601 154 HE ARG 22 HE ARG 22 1.273 -13.196 3.438 155 HH11 ARG 22 HH21 ARG 22 2.935 -16.011 2.332 156 HH12 ARG 22 HH22 ARG 22 1.608 -16.580 1.377 157 HH21 ARG 22 HH11 ARG 22 -0.471 -13.930 2.199 158 HH22 ARG 22 HH12 ARG 22 -0.316 -15.402 1.299 159 H SER 23 H SER 23 3.039 -9.552 3.715 160 HA SER 23 HA SER 23 5.207 -9.784 1.873 161 HB2 SER 23 HB3 SER 23 2.952 -7.788 2.151 162 HB3 SER 23 HB2 SER 23 4.097 -7.742 0.813 163 HG SER 23 HG SER 23 2.129 -9.626 1.454 164 H LEU 24 H LEU 24 4.461 -7.430 4.412 165 HA LEU 24 HA LEU 24 6.474 -5.512 3.737 166 HB2 LEU 24 HB3 LEU 24 4.674 -4.993 5.319 167 HB3 LEU 24 HB2 LEU 24 5.294 -6.203 6.446 168 HG LEU 24 HG LEU 24 7.485 -4.927 6.464 169 HD11 LEU 24 HD11 LEU 24 7.447 -3.625 4.511 170 HD12 LEU 24 HD12 LEU 24 7.105 -2.446 5.777 171 HD13 LEU 24 HD13 LEU 24 5.793 -3.087 4.791 172 HD21 LEU 24 HD21 LEU 24 6.462 -4.350 8.410 173 HD22 LEU 24 HD22 LEU 24 4.905 -4.098 7.621 174 HD23 LEU 24 HD23 LEU 24 6.121 -2.822 7.595 175 H ARG 25 H ARG 25 6.574 -8.198 6.120 176 HA ARG 25 HA ARG 25 9.335 -7.743 6.794 177 HB2 ARG 25 HB3 ARG 25 9.239 -9.937 7.870 178 HB3 ARG 25 HB2 ARG 25 7.767 -9.034 8.230 179 HG2 ARG 25 HG3 ARG 25 6.629 -10.213 6.355 180 HG3 ARG 25 HG2 ARG 25 8.086 -11.178 6.112 181 HD2 ARG 25 HD3 ARG 25 7.907 -11.944 8.489 182 HD3 ARG 25 HD2 ARG 25 6.377 -11.078 8.610 183 HE ARG 25 HE ARG 25 6.667 -13.130 6.482 184 HH11 ARG 25 HH21 ARG 25 5.334 -12.019 9.468 185 HH12 ARG 25 HH22 ARG 25 4.045 -13.175 9.471 186 HH21 ARG 25 HH11 ARG 25 4.994 -14.632 6.472 187 HH22 ARG 25 HH12 ARG 25 3.848 -14.649 7.771 188 H ASN 26 H ASN 26 7.736 -9.393 4.201 189 HA ASN 26 HA ASN 26 10.030 -10.995 3.385 190 HB2 ASN 26 HB3 ASN 26 7.508 -10.143 1.930 191 HB3 ASN 26 HB2 ASN 26 8.693 -11.271 1.275 192 HD21 ASN 26 HD21 ASN 26 5.979 -12.056 1.786 193 HD22 ASN 26 HD22 ASN 26 5.985 -13.194 3.044 194 H GLY 27 H GLY 27 9.451 -7.725 3.383 195 HA2 GLY 27 HA3 GLY 27 10.765 -5.998 2.450 196 HA3 GLY 27 HA2 GLY 27 11.648 -7.211 1.522 197 H ASP 28 H ASP 28 8.171 -7.155 1.455 198 HA ASP 28 HA ASP 28 8.024 -7.007 -1.389 199 HB2 ASP 28 HB3 ASP 28 6.241 -7.884 0.157 200 HB3 ASP 28 HB2 ASP 28 5.877 -6.216 0.599 201 H CYS 29 H CYS 29 7.735 -4.534 1.135 202 HA CYS 29 HA CYS 29 7.047 -2.363 -0.618 203 HB2 CYS 29 HB3 CYS 29 8.605 -2.156 1.970 204 HB3 CYS 29 HB2 CYS 29 7.573 -0.930 1.241 205 H ASP 30 H ASP 30 9.979 -4.049 0.044 206 HA ASP 30 HA ASP 30 11.636 -1.867 -1.089 207 HB2 ASP 30 HB3 ASP 30 12.337 -4.532 0.171 208 HB3 ASP 30 HB2 ASP 30 13.533 -3.409 -0.480 209 H ASN 31 H ASN 31 9.774 -4.252 -2.327 210 HA ASN 31 HA ASN 31 11.734 -5.049 -4.417 211 HB2 ASN 31 HB3 ASN 31 10.271 -6.747 -3.189 212 HB3 ASN 31 HB2 ASN 31 8.908 -6.057 -4.062 213 HD21 ASN 31 HD21 ASN 31 9.435 -8.700 -4.578 214 HD22 ASN 31 HD22 ASN 31 10.148 -8.889 -6.107 215 H ASP 32 H ASP 32 11.772 -3.720 -6.142 216 HA ASP 32 HA ASP 32 9.870 -1.725 -6.766 217 HB2 ASP 32 HB3 ASP 32 11.835 -3.198 -8.544 218 HB3 ASP 32 HB2 ASP 32 10.926 -1.776 -9.060 219 H ASP 33 H ASP 33 10.057 -5.107 -7.706 220 HA ASP 33 HA ASP 33 8.019 -5.014 -9.730 221 HB2 ASP 33 HB3 ASP 33 9.712 -6.876 -9.330 222 HB3 ASP 33 HB2 ASP 33 8.682 -7.397 -7.995 223 H LYS 34 H LYS 34 7.918 -5.158 -6.241 224 HA LYS 34 HA LYS 34 4.973 -5.651 -6.376 225 HB2 LYS 34 HB3 LYS 34 6.711 -5.762 -3.906 226 HB3 LYS 34 HB2 LYS 34 5.095 -6.428 -4.129 227 HG2 LYS 34 HG3 LYS 34 6.097 -7.897 -5.961 228 HG3 LYS 34 HG2 LYS 34 7.677 -7.389 -5.366 229 HD2 LYS 34 HD3 LYS 34 7.147 -8.250 -3.134 230 HD3 LYS 34 HD2 LYS 34 5.537 -8.720 -3.681 231 HE2 LYS 34 HE3 LYS 34 6.526 -10.271 -5.309 232 HE3 LYS 34 HE2 LYS 34 8.143 -9.789 -4.803 233 HZ1 LYS 34 HZ1 LYS 34 7.503 -10.520 -2.520 234 HZ2 LYS 34 HZ2 LYS 34 7.596 -11.777 -3.660 235 HZ3 LYS 34 HZ3 LYS 34 6.085 -11.171 -3.181 236 H LEU 35 H LEU 35 7.161 -3.163 -6.135 237 HA LEU 35 HA LEU 35 6.239 -1.551 -4.031 238 HB2 LEU 35 HB3 LEU 35 7.468 -1.026 -6.693 239 HB3 LEU 35 HB2 LEU 35 6.729 0.348 -5.868 240 HG LEU 35 HG LEU 35 8.824 -1.500 -4.671 241 HD11 LEU 35 HD11 LEU 35 10.416 -0.031 -5.362 242 HD12 LEU 35 HD12 LEU 35 9.397 1.367 -5.026 243 HD13 LEU 35 HD13 LEU 35 9.208 0.484 -6.540 244 HD21 LEU 35 HD21 LEU 35 7.858 -0.705 -2.756 245 HD22 LEU 35 HD22 LEU 35 7.059 0.621 -3.600 246 HD23 LEU 35 HD23 LEU 35 8.756 0.762 -3.144 247 H LEU 36 H LEU 36 4.928 -1.778 -7.348 248 HA LEU 36 HA LEU 36 2.806 0.105 -6.892 249 HB2 LEU 36 HB3 LEU 36 3.517 -0.612 -9.165 250 HB3 LEU 36 HB2 LEU 36 2.886 -2.226 -8.835 251 HG LEU 36 HG LEU 36 0.975 -0.042 -8.299 252 HD11 LEU 36 HD11 LEU 36 2.009 -0.610 -11.090 253 HD12 LEU 36 HD12 LEU 36 1.954 0.949 -10.264 254 HD13 LEU 36 HD13 LEU 36 0.458 0.164 -10.770 255 HD21 LEU 36 HD21 LEU 36 0.450 -2.484 -8.236 256 HD22 LEU 36 HD22 LEU 36 0.824 -2.583 -9.956 257 HD23 LEU 36 HD23 LEU 36 -0.545 -1.615 -9.406 258 H GLU 37 H GLU 37 3.042 -3.415 -6.520 259 HA GLU 37 HA GLU 37 0.314 -3.955 -5.962 260 HB2 GLU 37 HB3 GLU 37 2.787 -5.268 -4.784 261 HB3 GLU 37 HB2 GLU 37 1.159 -5.949 -4.762 262 HG2 GLU 37 HG3 GLU 37 1.136 -5.879 -7.255 263 HG3 GLU 37 HG2 GLU 37 2.807 -5.315 -7.225 264 H MET 38 H MET 38 2.950 -2.902 -3.846 265 HA MET 38 HA MET 38 1.407 -3.013 -1.412 266 HB2 MET 38 HB3 MET 38 3.919 -1.531 -2.198 267 HB3 MET 38 HB2 MET 38 3.260 -1.530 -0.562 268 HG2 MET 38 HG3 MET 38 4.000 -4.021 -2.124 269 HG3 MET 38 HG2 MET 38 5.023 -3.278 -0.897 270 HE1 MET 38 HE1 MET 38 2.867 -6.372 -1.147 271 HE2 MET 38 HE2 MET 38 2.052 -5.041 -1.964 272 HE3 MET 38 HE3 MET 38 1.307 -5.788 -0.553 273 H GLY 39 H GLY 39 2.254 -0.354 -3.640 274 HA2 GLY 39 HA3 GLY 39 0.993 1.731 -2.195 275 HA3 GLY 39 HA2 GLY 39 1.194 1.719 -3.951 276 H TYR 40 H TYR 40 -0.268 -0.845 -4.166 277 HA TYR 40 HA TYR 40 -2.991 0.311 -4.145 278 HB2 TYR 40 HB3 TYR 40 -2.258 -0.698 -6.225 279 HB3 TYR 40 HB2 TYR 40 -1.836 -2.193 -5.393 280 HD1 TYR 40 HD2 TYR 40 -3.566 -3.688 -4.523 281 HD2 TYR 40 HD1 TYR 40 -4.581 -0.113 -6.670 282 HE1 TYR 40 HE2 TYR 40 -5.882 -4.518 -4.799 283 HE2 TYR 40 HE1 TYR 40 -6.902 -0.944 -6.950 284 HH TYR 40 HH TYR 40 -7.806 -4.005 -6.640 285 H TYR 41 H TYR 41 -1.483 -2.813 -3.225 286 HA TYR 41 HA TYR 41 -3.827 -3.580 -1.700 287 HB2 TYR 41 HB3 TYR 41 -1.064 -4.776 -1.943 288 HB3 TYR 41 HB2 TYR 41 -2.348 -5.495 -0.972 289 HD1 TYR 41 HD1 TYR 41 -4.608 -5.961 -2.160 290 HD2 TYR 41 HD2 TYR 41 -0.928 -5.225 -4.249 291 HE1 TYR 41 HE1 TYR 41 -5.545 -7.029 -4.195 292 HE2 TYR 41 HE2 TYR 41 -1.864 -6.292 -6.278 293 HH TYR 41 HH TYR 41 -3.571 -7.799 -6.939 294 H CYS 42 H CYS 42 -0.504 -2.579 -0.754 295 HA CYS 42 HA CYS 42 -1.701 -1.848 1.876 296 HB2 CYS 42 HB3 CYS 42 1.021 -3.117 1.654 297 HB3 CYS 42 HB2 CYS 42 0.046 -2.856 3.100 298 HA PRO 43 HA PRO 43 0.839 1.609 0.033 299 HB2 PRO 43 HB3 PRO 43 -1.045 3.536 0.551 300 HB3 PRO 43 HB2 PRO 43 -0.999 2.595 -0.952 301 HG2 PRO 43 HG3 PRO 43 -2.686 2.196 1.474 302 HG3 PRO 43 HG2 PRO 43 -3.134 2.093 -0.237 303 HD2 PRO 43 HD3 PRO 43 -2.676 -0.121 1.244 304 HD3 PRO 43 HD2 PRO 43 -2.246 -0.050 -0.480 305 H VAL 44 H VAL 44 -1.101 1.346 2.978 306 HA VAL 44 HA VAL 44 0.392 3.419 4.381 307 HB VAL 44 HB VAL 44 -1.564 1.321 5.358 308 HG11 VAL 44 HG11 VAL 44 -1.551 3.312 7.227 309 HG12 VAL 44 HG12 VAL 44 0.152 3.271 6.768 310 HG13 VAL 44 HG13 VAL 44 -0.633 1.812 7.376 311 HG21 VAL 44 HG21 VAL 44 -2.145 4.237 5.381 312 HG22 VAL 44 HG22 VAL 44 -3.213 2.880 5.025 313 HG23 VAL 44 HG23 VAL 44 -2.094 3.466 3.794 314 H THR 45 H THR 45 0.306 -0.145 4.460 315 HA THR 45 HA THR 45 2.175 -0.525 6.559 316 HB THR 45 HB THR 45 1.847 -2.279 4.116 317 HG1 THR 45 HG1 THR 45 0.506 -3.153 6.220 318 HG21 THR 45 HG21 THR 45 2.572 -4.061 5.629 319 HG22 THR 45 HG22 THR 45 2.684 -2.909 6.959 320 HG23 THR 45 HG23 THR 45 3.781 -2.779 5.586 321 H CYS 46 H CYS 46 2.712 -0.047 3.073 322 HA CYS 46 HA CYS 46 5.603 -0.399 3.441 323 HB2 CYS 46 HB3 CYS 46 3.904 0.315 1.045 324 HB3 CYS 46 HB2 CYS 46 5.664 0.216 0.987 325 H GLY 47 H GLY 47 3.394 2.176 3.743 326 HA2 GLY 47 HA3 GLY 47 3.968 4.339 4.549 327 HA3 GLY 47 HA2 GLY 47 5.648 4.016 4.142 328 H PHE 48 H PHE 48 2.891 3.777 1.884 329 HA PHE 48 HA PHE 48 4.204 5.958 0.306 330 HB2 PHE 48 HB3 PHE 48 2.118 3.951 -0.617 331 HB3 PHE 48 HB2 PHE 48 2.986 5.102 -1.633 332 HD1 PHE 48 HD2 PHE 48 5.704 4.987 -1.077 333 HD2 PHE 48 HD1 PHE 48 2.870 1.774 -0.815 334 HE1 PHE 48 HE2 PHE 48 7.538 3.343 -1.363 335 HE2 PHE 48 HE1 PHE 48 4.703 0.132 -1.097 336 HZ PHE 48 HZ PHE 48 7.033 0.916 -1.372 337 H CYS 49 H CYS 49 1.599 5.173 2.292 338 HA CYS 49 HA CYS 49 0.338 7.784 1.747 339 HB2 CYS 49 HB3 CYS 49 -0.760 5.816 0.390 340 HB3 CYS 49 HB2 CYS 49 -1.464 5.390 1.947 341 H GLU 50 H GLU 50 -1.562 8.008 3.445 342 HA GLU 50 HA GLU 50 -0.515 6.967 6.040 343 HB2 GLU 50 HB3 GLU 50 -1.970 9.522 5.324 344 HB3 GLU 50 HB2 GLU 50 -1.766 8.983 6.991 345 HG2 GLU 50 HG3 GLU 50 0.038 10.526 6.428 346 HG3 GLU 50 HG2 GLU 50 0.707 8.904 6.612 347 HA PRO 51 HA PRO 51 -4.123 4.569 6.829 348 HB2 PRO 51 HB3 PRO 51 -4.478 6.172 9.319 349 HB3 PRO 51 HB2 PRO 51 -4.393 4.415 9.111 350 HG2 PRO 51 HG3 PRO 51 -2.347 5.888 10.074 351 HG3 PRO 51 HG2 PRO 51 -2.129 4.380 9.175 352 HD2 PRO 51 HD3 PRO 51 -1.533 7.144 8.334 353 HD3 PRO 51 HD2 PRO 51 -0.939 5.608 7.665 Start of MODEL 3 1 HA ASN 1 HA ASN 1 -25.107 13.496 -5.195 2 HB2 ASN 1 HB3 ASN 1 -25.990 16.369 -4.822 3 HB3 ASN 1 HB2 ASN 1 -24.437 15.787 -5.425 4 HD21 ASN 1 HD21 ASN 1 -25.214 13.849 -7.282 5 HD22 ASN 1 HD22 ASN 1 -26.120 14.569 -8.524 6 H ASP 2 H ASP 2 -24.894 12.431 -3.166 7 HA ASP 2 HA ASP 2 -25.614 13.665 -0.670 8 HB2 ASP 2 HB3 ASP 2 -23.652 11.447 -1.321 9 HB3 ASP 2 HB2 ASP 2 -24.073 11.930 0.321 10 H ILE 3 H ILE 3 -24.339 14.877 0.757 11 HA ILE 3 HA ILE 3 -22.203 16.426 -0.453 12 HB ILE 3 HB ILE 3 -23.075 16.281 2.449 13 HG12 ILE 3 HG13 ILE 3 -23.883 18.245 0.283 14 HG13 ILE 3 HG12 ILE 3 -24.886 16.892 0.809 15 HG21 ILE 3 HG21 ILE 3 -21.132 17.922 0.915 16 HG22 ILE 3 HG22 ILE 3 -21.131 17.481 2.621 17 HG23 ILE 3 HG23 ILE 3 -22.161 18.795 2.051 18 HD11 ILE 3 HD11 ILE 3 -23.816 18.941 2.755 19 HD12 ILE 3 HD12 ILE 3 -25.125 17.785 3.003 20 HD13 ILE 3 HD13 ILE 3 -25.355 19.159 1.921 21 H ARG 4 H ARG 4 -22.225 13.349 0.710 22 HA ARG 4 HA ARG 4 -19.755 13.353 2.250 23 HB2 ARG 4 HB3 ARG 4 -21.136 11.049 0.845 24 HB3 ARG 4 HB2 ARG 4 -19.917 10.918 2.110 25 HG2 ARG 4 HG3 ARG 4 -22.571 12.326 2.495 26 HG3 ARG 4 HG2 ARG 4 -22.298 10.635 2.914 27 HD2 ARG 4 HD3 ARG 4 -20.370 11.400 4.363 28 HD3 ARG 4 HD2 ARG 4 -20.904 13.056 4.081 29 HE ARG 4 HE ARG 4 -23.192 11.819 4.980 30 HH11 ARG 4 HH21 ARG 4 -19.921 12.024 6.042 31 HH12 ARG 4 HH22 ARG 4 -20.316 11.878 7.722 32 HH21 ARG 4 HH11 ARG 4 -23.729 11.618 7.171 33 HH22 ARG 4 HH12 ARG 4 -22.473 11.646 8.362 34 H THR 5 H THR 5 -20.282 14.026 -0.908 35 HA THR 5 HA THR 5 -18.162 12.425 -2.108 36 HB THR 5 HB THR 5 -20.271 13.584 -3.225 37 HG1 THR 5 HG1 THR 5 -17.660 13.316 -4.254 38 HG21 THR 5 HG21 THR 5 -19.345 15.853 -2.425 39 HG22 THR 5 HG22 THR 5 -19.878 15.749 -4.105 40 HG23 THR 5 HG23 THR 5 -18.157 15.681 -3.718 41 H ALA 6 H ALA 6 -18.077 14.853 0.078 42 HA ALA 6 HA ALA 6 -15.992 16.521 -1.092 43 HB1 ALA 6 HB1 ALA 6 -16.034 17.719 0.935 44 HB2 ALA 6 HB2 ALA 6 -16.560 16.314 1.861 45 HB3 ALA 6 HB3 ALA 6 -17.690 17.136 0.784 46 H ALA 7 H ALA 7 -15.971 13.393 0.012 47 HA ALA 7 HA ALA 7 -13.610 13.284 1.620 48 HB1 ALA 7 HB1 ALA 7 -15.080 11.311 -0.103 49 HB2 ALA 7 HB2 ALA 7 -14.836 11.297 1.643 50 HB3 ALA 7 HB3 ALA 7 -13.504 10.880 0.560 51 H ASP 8 H ASP 8 -11.438 13.134 1.062 52 HA ASP 8 HA ASP 8 -10.797 13.716 -1.792 53 HB2 ASP 8 HB3 ASP 8 -9.148 14.028 0.737 54 HB3 ASP 8 HB2 ASP 8 -8.567 14.394 -0.887 55 H MET 9 H MET 9 -11.044 11.109 0.206 56 HA MET 9 HA MET 9 -10.103 8.964 0.206 57 HB2 MET 9 HB3 MET 9 -9.714 9.905 -2.629 58 HB3 MET 9 HB2 MET 9 -9.146 8.315 -2.120 59 HG2 MET 9 HG3 MET 9 -11.874 8.885 -1.218 60 HG3 MET 9 HG2 MET 9 -11.715 8.900 -2.974 61 HE1 MET 9 HE1 MET 9 -9.584 6.855 -0.313 62 HE2 MET 9 HE2 MET 9 -10.669 5.484 -0.098 63 HE3 MET 9 HE3 MET 9 -11.224 7.106 0.305 64 H GLU 10 H GLU 10 -8.370 11.433 0.779 65 HA GLU 10 HA GLU 10 -5.703 10.763 -0.116 66 HB2 GLU 10 HB3 GLU 10 -6.441 13.043 0.670 67 HB3 GLU 10 HB2 GLU 10 -6.493 12.398 2.311 68 HG2 GLU 10 HG3 GLU 10 -4.099 11.773 2.124 69 HG3 GLU 10 HG2 GLU 10 -4.055 12.478 0.507 70 H HIS 11 H HIS 11 -7.777 9.330 2.120 71 HA HIS 11 HA HIS 11 -5.527 8.300 3.765 72 HB2 HIS 11 HB3 HIS 11 -8.520 7.976 4.141 73 HB3 HIS 11 HB2 HIS 11 -7.271 7.423 5.256 74 HD1 HIS 11 HD1 HIS 11 -9.066 10.483 4.111 75 HD2 HIS 11 HD2 HIS 11 -5.914 9.528 6.671 76 HE1 HIS 11 HE1 HIS 11 -8.608 12.559 5.490 77 HE2 HIS 11 HE2 HIS 11 -6.681 11.994 7.042 78 H CYS 12 H CYS 12 -4.748 6.341 3.315 79 HA CYS 12 HA CYS 12 -6.398 4.507 1.630 80 HB2 CYS 12 HB3 CYS 12 -3.409 4.308 2.010 81 HB3 CYS 12 HB2 CYS 12 -4.396 3.638 0.713 82 H ALA 13 H ALA 13 -6.107 2.168 2.212 83 HA ALA 13 HA ALA 13 -5.245 1.807 5.042 84 HB1 ALA 13 HB1 ALA 13 -7.256 0.687 5.634 85 HB2 ALA 13 HB2 ALA 13 -7.781 0.583 3.951 86 HB3 ALA 13 HB3 ALA 13 -7.768 2.143 4.777 87 H ASP 14 H ASP 14 -4.517 -0.317 5.531 88 HA ASP 14 HA ASP 14 -3.283 -1.749 3.381 89 HB2 ASP 14 HB3 ASP 14 -3.903 -2.602 6.223 90 HB3 ASP 14 HB2 ASP 14 -2.856 -3.495 5.122 91 H GLU 15 H GLU 15 -4.025 -3.525 2.194 92 HA GLU 15 HA GLU 15 -6.828 -3.987 2.002 93 HB2 GLU 15 HB3 GLU 15 -4.457 -4.970 0.714 94 HB3 GLU 15 HB2 GLU 15 -5.469 -6.345 1.150 95 HG2 GLU 15 HG3 GLU 15 -7.286 -4.474 0.147 96 HG3 GLU 15 HG2 GLU 15 -5.890 -4.333 -0.921 97 H LYS 16 H LYS 16 -8.181 -5.415 3.036 98 HA LYS 16 HA LYS 16 -7.229 -6.676 5.477 99 HB2 LYS 16 HB3 LYS 16 -9.542 -7.396 5.762 100 HB3 LYS 16 HB2 LYS 16 -9.514 -5.705 5.255 101 HG2 LYS 16 HG3 LYS 16 -9.865 -6.441 2.900 102 HG3 LYS 16 HG2 LYS 16 -10.007 -8.106 3.469 103 HD2 LYS 16 HD3 LYS 16 -11.871 -7.327 4.989 104 HD3 LYS 16 HD2 LYS 16 -11.811 -5.775 4.151 105 HE2 LYS 16 HE3 LYS 16 -12.248 -8.440 2.774 106 HE3 LYS 16 HE2 LYS 16 -13.542 -7.326 3.215 107 HZ1 LYS 16 HZ1 LYS 16 -11.247 -6.608 1.471 108 HZ2 LYS 16 HZ2 LYS 16 -12.620 -5.661 1.797 109 HZ3 LYS 16 HZ3 LYS 16 -12.765 -7.091 0.892 110 H ASN 17 H ASN 17 -7.889 -7.733 2.193 111 HA ASN 17 HA ASN 17 -7.667 -10.573 2.989 112 HB2 ASN 17 HB3 ASN 17 -8.016 -9.343 0.236 113 HB3 ASN 17 HB2 ASN 17 -8.171 -11.055 0.643 114 HD21 ASN 17 HD21 ASN 17 -10.099 -8.520 -0.064 115 HD22 ASN 17 HD22 ASN 17 -11.430 -8.848 0.937 116 H PHE 18 H PHE 18 -5.552 -8.086 2.243 117 HA PHE 18 HA PHE 18 -3.576 -9.945 0.997 118 HB2 PHE 18 HB3 PHE 18 -4.065 -7.670 -0.044 119 HB3 PHE 18 HB2 PHE 18 -3.297 -6.956 1.375 120 HD1 PHE 18 HD1 PHE 18 -0.900 -7.350 1.847 121 HD2 PHE 18 HD2 PHE 18 -2.776 -8.830 -1.719 122 HE1 PHE 18 HE1 PHE 18 1.326 -7.724 0.830 123 HE2 PHE 18 HE2 PHE 18 -0.543 -9.209 -2.735 124 HZ PHE 18 HZ PHE 18 1.509 -8.655 -1.456 125 H ASP 19 H ASP 19 -1.829 -10.616 2.182 126 HA ASP 19 HA ASP 19 -1.727 -9.855 5.013 127 HB2 ASP 19 HB3 ASP 19 0.090 -11.669 3.391 128 HB3 ASP 19 HB2 ASP 19 0.075 -11.523 5.148 129 H CYS 20 H CYS 20 -1.183 -7.604 4.744 130 HA CYS 20 HA CYS 20 1.151 -6.703 3.323 131 HB2 CYS 20 HB3 CYS 20 -0.118 -5.373 5.727 132 HB3 CYS 20 HB2 CYS 20 0.755 -4.603 4.399 133 H ARG 21 H ARG 21 0.552 -7.782 6.614 134 HA ARG 21 HA ARG 21 3.026 -7.005 7.783 135 HB2 ARG 21 HB3 ARG 21 0.883 -7.958 8.881 136 HB3 ARG 21 HB2 ARG 21 1.544 -9.541 8.479 137 HG2 ARG 21 HG3 ARG 21 3.132 -7.472 10.009 138 HG3 ARG 21 HG2 ARG 21 2.095 -8.651 10.813 139 HD2 ARG 21 HD3 ARG 21 3.366 -10.447 9.509 140 HD3 ARG 21 HD2 ARG 21 4.525 -9.186 9.099 141 HE ARG 21 HE ARG 21 4.501 -8.926 11.771 142 HH11 ARG 21 HH21 ARG 21 4.476 -11.716 9.741 143 HH12 ARG 21 HH22 ARG 21 5.343 -12.707 10.868 144 HH21 ARG 21 HH11 ARG 21 5.642 -10.207 13.248 145 HH22 ARG 21 HH12 ARG 21 6.001 -11.854 12.850 146 H ARG 22 H ARG 22 2.061 -10.037 6.163 147 HA ARG 22 HA ARG 22 4.636 -11.287 6.458 148 HB2 ARG 22 HB3 ARG 22 3.024 -12.867 5.983 149 HB3 ARG 22 HB2 ARG 22 2.157 -11.800 4.879 150 HG2 ARG 22 HG3 ARG 22 3.764 -12.127 3.146 151 HG3 ARG 22 HG2 ARG 22 4.890 -12.914 4.252 152 HD2 ARG 22 HD3 ARG 22 3.297 -14.780 4.536 153 HD3 ARG 22 HD2 ARG 22 2.181 -13.989 3.420 154 HE ARG 22 HE ARG 22 4.889 -14.511 2.374 155 HH11 ARG 22 HH21 ARG 22 1.585 -15.450 2.698 156 HH12 ARG 22 HH22 ARG 22 1.602 -16.466 1.293 157 HH21 ARG 22 HH11 ARG 22 4.924 -15.818 0.542 158 HH22 ARG 22 HH12 ARG 22 3.496 -16.673 0.072 159 H SER 23 H SER 23 3.074 -9.569 3.768 160 HA SER 23 HA SER 23 5.275 -9.783 1.959 161 HB2 SER 23 HB3 SER 23 3.040 -7.756 2.161 162 HB3 SER 23 HB2 SER 23 4.159 -7.850 0.806 163 HG SER 23 HG SER 23 1.959 -9.272 1.230 164 H LEU 24 H LEU 24 4.479 -7.423 4.484 165 HA LEU 24 HA LEU 24 6.472 -5.488 3.766 166 HB2 LEU 24 HB3 LEU 24 4.628 -4.995 5.332 167 HB3 LEU 24 HB2 LEU 24 5.324 -6.118 6.500 168 HG LEU 24 HG LEU 24 7.462 -4.728 6.366 169 HD11 LEU 24 HD11 LEU 24 6.852 -2.279 5.696 170 HD12 LEU 24 HD12 LEU 24 5.563 -3.034 4.760 171 HD13 LEU 24 HD13 LEU 24 7.247 -3.437 4.427 172 HD21 LEU 24 HD21 LEU 24 4.856 -3.895 7.560 173 HD22 LEU 24 HD22 LEU 24 6.203 -2.762 7.660 174 HD23 LEU 24 HD23 LEU 24 6.355 -4.375 8.357 175 H ARG 25 H ARG 25 6.554 -8.112 6.217 176 HA ARG 25 HA ARG 25 9.299 -7.634 6.914 177 HB2 ARG 25 HB3 ARG 25 9.220 -9.836 7.991 178 HB3 ARG 25 HB2 ARG 25 7.739 -8.943 8.349 179 HG2 ARG 25 HG3 ARG 25 6.630 -10.122 6.446 180 HG3 ARG 25 HG2 ARG 25 8.088 -11.095 6.244 181 HD2 ARG 25 HD3 ARG 25 7.847 -11.833 8.633 182 HD3 ARG 25 HD2 ARG 25 6.297 -10.987 8.686 183 HE ARG 25 HE ARG 25 6.192 -12.692 6.446 184 HH11 ARG 25 HH21 ARG 25 6.610 -12.876 9.859 185 HH12 ARG 25 HH22 ARG 25 5.844 -14.423 10.003 186 HH21 ARG 25 HH11 ARG 25 5.186 -14.700 6.608 187 HH22 ARG 25 HH12 ARG 25 5.032 -15.455 8.162 188 H ASN 26 H ASN 26 7.746 -9.230 4.282 189 HA ASN 26 HA ASN 26 10.040 -10.847 3.489 190 HB2 ASN 26 HB3 ASN 26 7.518 -10.018 2.031 191 HB3 ASN 26 HB2 ASN 26 8.711 -11.138 1.377 192 HD21 ASN 26 HD21 ASN 26 6.050 -12.012 1.845 193 HD22 ASN 26 HD22 ASN 26 6.056 -13.122 3.130 194 H GLY 27 H GLY 27 9.508 -7.571 3.461 195 HA2 GLY 27 HA3 GLY 27 10.852 -5.880 2.486 196 HA3 GLY 27 HA2 GLY 27 11.690 -7.129 1.562 197 H ASP 28 H ASP 28 8.243 -7.162 1.471 198 HA ASP 28 HA ASP 28 8.103 -6.950 -1.359 199 HB2 ASP 28 HB3 ASP 28 6.343 -7.890 0.217 200 HB3 ASP 28 HB2 ASP 28 5.888 -6.224 0.576 201 H CYS 29 H CYS 29 7.722 -4.499 1.185 202 HA CYS 29 HA CYS 29 6.992 -2.345 -0.582 203 HB2 CYS 29 HB3 CYS 29 8.482 -2.141 2.051 204 HB3 CYS 29 HB2 CYS 29 7.512 -0.886 1.282 205 H ASP 30 H ASP 30 9.968 -3.933 0.176 206 HA ASP 30 HA ASP 30 11.608 -1.726 -0.911 207 HB2 ASP 30 HB3 ASP 30 12.301 -4.415 0.290 208 HB3 ASP 30 HB2 ASP 30 13.505 -3.310 -0.369 209 H ASN 31 H ASN 31 9.840 -4.209 -2.219 210 HA ASN 31 HA ASN 31 11.845 -4.829 -4.324 211 HB2 ASN 31 HB3 ASN 31 10.435 -6.626 -3.182 212 HB3 ASN 31 HB2 ASN 31 9.054 -5.956 -4.046 213 HD21 ASN 31 HD21 ASN 31 9.668 -8.545 -4.697 214 HD22 ASN 31 HD22 ASN 31 10.430 -8.634 -6.209 215 H ASP 32 H ASP 32 11.852 -3.443 -6.024 216 HA ASP 32 HA ASP 32 9.854 -1.523 -6.602 217 HB2 ASP 32 HB3 ASP 32 12.180 -1.486 -7.525 218 HB3 ASP 32 HB2 ASP 32 11.736 -2.813 -8.595 219 H ASP 33 H ASP 33 10.201 -4.860 -7.640 220 HA ASP 33 HA ASP 33 8.174 -4.804 -9.673 221 HB2 ASP 33 HB3 ASP 33 9.916 -6.604 -9.362 222 HB3 ASP 33 HB2 ASP 33 8.988 -7.175 -7.975 223 H LYS 34 H LYS 34 8.013 -4.976 -6.188 224 HA LYS 34 HA LYS 34 5.109 -5.664 -6.386 225 HB2 LYS 34 HB3 LYS 34 6.828 -5.702 -3.897 226 HB3 LYS 34 HB2 LYS 34 5.239 -6.435 -4.126 227 HG2 LYS 34 HG3 LYS 34 6.315 -7.832 -5.985 228 HG3 LYS 34 HG2 LYS 34 7.866 -7.276 -5.358 229 HD2 LYS 34 HD3 LYS 34 7.204 -8.138 -3.100 230 HD3 LYS 34 HD2 LYS 34 5.752 -8.820 -3.834 231 HE2 LYS 34 HE3 LYS 34 6.893 -10.567 -4.698 232 HE3 LYS 34 HE2 LYS 34 8.175 -9.523 -5.309 233 HZ1 LYS 34 HZ1 LYS 34 9.442 -10.248 -3.669 234 HZ2 LYS 34 HZ2 LYS 34 8.163 -11.146 -3.004 235 HZ3 LYS 34 HZ3 LYS 34 8.394 -9.523 -2.551 236 H LEU 35 H LEU 35 7.110 -3.034 -6.093 237 HA LEU 35 HA LEU 35 6.007 -1.514 -3.988 238 HB2 LEU 35 HB3 LEU 35 7.314 -0.845 -6.600 239 HB3 LEU 35 HB2 LEU 35 6.553 0.454 -5.678 240 HG LEU 35 HG LEU 35 8.635 -1.463 -4.581 241 HD11 LEU 35 HD11 LEU 35 9.224 1.422 -4.763 242 HD12 LEU 35 HD12 LEU 35 9.087 0.611 -6.321 243 HD13 LEU 35 HD13 LEU 35 10.252 0.038 -5.129 244 HD21 LEU 35 HD21 LEU 35 6.825 0.543 -3.412 245 HD22 LEU 35 HD22 LEU 35 8.514 0.743 -2.946 246 HD23 LEU 35 HD23 LEU 35 7.687 -0.784 -2.635 247 H LEU 36 H LEU 36 4.913 -1.814 -7.367 248 HA LEU 36 HA LEU 36 2.705 -0.002 -7.088 249 HB2 LEU 36 HB3 LEU 36 3.591 -0.762 -9.284 250 HB3 LEU 36 HB2 LEU 36 2.976 -2.382 -8.952 251 HG LEU 36 HG LEU 36 0.985 -0.237 -8.595 252 HD11 LEU 36 HD11 LEU 36 2.051 0.754 -10.502 253 HD12 LEU 36 HD12 LEU 36 0.631 -0.099 -11.106 254 HD13 LEU 36 HD13 LEU 36 2.235 -0.811 -11.289 255 HD21 LEU 36 HD21 LEU 36 0.716 -2.815 -8.623 256 HD22 LEU 36 HD22 LEU 36 0.848 -2.670 -10.375 257 HD23 LEU 36 HD23 LEU 36 -0.466 -1.860 -9.520 258 H GLU 37 H GLU 37 3.015 -3.513 -6.652 259 HA GLU 37 HA GLU 37 0.260 -4.056 -6.163 260 HB2 GLU 37 HB3 GLU 37 2.723 -5.435 -5.050 261 HB3 GLU 37 HB2 GLU 37 1.090 -6.100 -5.032 262 HG2 GLU 37 HG3 GLU 37 2.613 -5.323 -7.536 263 HG3 GLU 37 HG2 GLU 37 2.435 -6.972 -6.939 264 H MET 38 H MET 38 2.885 -3.020 -4.014 265 HA MET 38 HA MET 38 1.370 -3.245 -1.571 266 HB2 MET 38 HB3 MET 38 3.781 -1.597 -2.349 267 HB3 MET 38 HB2 MET 38 3.120 -1.626 -0.715 268 HG2 MET 38 HG3 MET 38 4.035 -4.068 -2.254 269 HG3 MET 38 HG2 MET 38 4.990 -3.251 -1.021 270 HE1 MET 38 HE1 MET 38 2.165 -5.176 -2.128 271 HE2 MET 38 HE2 MET 38 1.379 -5.907 -0.734 272 HE3 MET 38 HE3 MET 38 2.956 -6.492 -1.251 273 H GLY 39 H GLY 39 2.024 -0.528 -3.776 274 HA2 GLY 39 HA3 GLY 39 0.577 1.451 -2.316 275 HA3 GLY 39 HA2 GLY 39 0.867 1.497 -4.058 276 H TYR 40 H TYR 40 -0.392 -1.162 -4.378 277 HA TYR 40 HA TYR 40 -3.180 -0.220 -4.566 278 HB2 TYR 40 HB3 TYR 40 -2.229 -1.313 -6.521 279 HB3 TYR 40 HB2 TYR 40 -1.778 -2.721 -5.558 280 HD1 TYR 40 HD1 TYR 40 -3.500 -4.208 -4.617 281 HD2 TYR 40 HD2 TYR 40 -4.511 -0.967 -7.245 282 HE1 TYR 40 HE1 TYR 40 -5.738 -5.202 -4.972 283 HE2 TYR 40 HE2 TYR 40 -6.756 -1.960 -7.606 284 HH TYR 40 HH TYR 40 -8.043 -3.763 -7.265 285 H TYR 41 H TYR 41 -1.430 -3.033 -3.228 286 HA TYR 41 HA TYR 41 -3.819 -3.922 -1.798 287 HB2 TYR 41 HB3 TYR 41 -0.993 -4.937 -2.002 288 HB3 TYR 41 HB2 TYR 41 -2.133 -5.624 -0.847 289 HD1 TYR 41 HD1 TYR 41 -4.470 -6.296 -1.792 290 HD2 TYR 41 HD2 TYR 41 -0.972 -5.735 -4.214 291 HE1 TYR 41 HE1 TYR 41 -5.498 -7.658 -3.589 292 HE2 TYR 41 HE2 TYR 41 -2.001 -7.098 -6.014 293 HH TYR 41 HH TYR 41 -3.950 -9.076 -5.930 294 H CYS 42 H CYS 42 -0.547 -2.847 -0.731 295 HA CYS 42 HA CYS 42 -1.902 -1.896 1.750 296 HB2 CYS 42 HB3 CYS 42 0.864 -3.079 1.801 297 HB3 CYS 42 HB2 CYS 42 -0.258 -2.812 3.138 298 HA PRO 43 HA PRO 43 0.675 1.485 -0.126 299 HB2 PRO 43 HB3 PRO 43 -1.198 3.444 0.263 300 HB3 PRO 43 HB2 PRO 43 -1.165 2.417 -1.184 301 HG2 PRO 43 HG3 PRO 43 -2.857 2.181 1.259 302 HG3 PRO 43 HG2 PRO 43 -3.307 1.983 -0.446 303 HD2 PRO 43 HD3 PRO 43 -2.860 -0.139 1.183 304 HD3 PRO 43 HD2 PRO 43 -2.474 -0.186 -0.553 305 H VAL 44 H VAL 44 -1.307 1.272 2.769 306 HA VAL 44 HA VAL 44 0.151 3.367 4.191 307 HB VAL 44 HB VAL 44 -1.764 1.238 5.184 308 HG11 VAL 44 HG11 VAL 44 -0.088 3.169 6.551 309 HG12 VAL 44 HG12 VAL 44 -1.111 1.902 7.231 310 HG13 VAL 44 HG13 VAL 44 -1.795 3.486 6.859 311 HG21 VAL 44 HG21 VAL 44 -2.079 3.951 3.994 312 HG22 VAL 44 HG22 VAL 44 -3.125 3.548 5.353 313 HG23 VAL 44 HG23 VAL 44 -3.148 2.552 3.898 314 H THR 45 H THR 45 0.065 -0.185 4.220 315 HA THR 45 HA THR 45 1.878 -0.642 6.345 316 HB THR 45 HB THR 45 1.589 -2.272 3.812 317 HG1 THR 45 HG1 THR 45 0.272 -3.144 6.007 318 HG21 THR 45 HG21 THR 45 3.394 -2.593 5.851 319 HG22 THR 45 HG22 THR 45 2.797 -3.892 4.821 320 HG23 THR 45 HG23 THR 45 2.054 -3.603 6.391 321 H CYS 46 H CYS 46 2.531 -0.047 2.896 322 HA CYS 46 HA CYS 46 5.412 -0.383 3.341 323 HB2 CYS 46 HB3 CYS 46 3.755 0.329 0.922 324 HB3 CYS 46 HB2 CYS 46 5.520 0.293 0.893 325 H GLY 47 H GLY 47 3.286 2.126 3.901 326 HA2 GLY 47 HA3 GLY 47 3.839 4.298 4.646 327 HA3 GLY 47 HA2 GLY 47 5.512 3.994 4.194 328 H PHE 48 H PHE 48 2.665 3.754 2.064 329 HA PHE 48 HA PHE 48 3.890 5.929 0.412 330 HB2 PHE 48 HB3 PHE 48 1.885 3.814 -0.441 331 HB3 PHE 48 HB2 PHE 48 2.703 4.971 -1.492 332 HD1 PHE 48 HD2 PHE 48 5.397 4.715 0.199 333 HD2 PHE 48 HD1 PHE 48 2.778 1.902 -1.733 334 HE1 PHE 48 HE2 PHE 48 7.285 3.146 -0.071 335 HE2 PHE 48 HE1 PHE 48 4.678 0.335 -1.999 336 HZ PHE 48 HZ PHE 48 6.926 0.953 -1.165 337 H CYS 49 H CYS 49 1.310 5.062 2.421 338 HA CYS 49 HA CYS 49 -0.165 7.529 1.613 339 HB2 CYS 49 HB3 CYS 49 -1.173 4.758 2.068 340 HB3 CYS 49 HB2 CYS 49 -2.173 6.091 2.643 341 H GLU 50 H GLU 50 -1.614 8.260 3.523 342 HA GLU 50 HA GLU 50 -0.020 7.964 6.026 343 HB2 GLU 50 HB3 GLU 50 -1.795 10.154 4.956 344 HB3 GLU 50 HB2 GLU 50 -1.378 10.073 6.670 345 HG2 GLU 50 HG3 GLU 50 0.145 11.474 5.084 346 HG3 GLU 50 HG2 GLU 50 0.908 10.406 6.261 347 HA PRO 51 HA PRO 51 -3.364 5.296 7.436 348 HB2 PRO 51 HB3 PRO 51 -2.359 6.237 10.082 349 HB3 PRO 51 HB2 PRO 51 -2.659 4.585 9.511 350 HG2 PRO 51 HG3 PRO 51 -0.189 5.630 9.726 351 HG3 PRO 51 HG2 PRO 51 -0.623 4.414 8.516 352 HD2 PRO 51 HD3 PRO 51 -0.023 7.284 8.144 353 HD3 PRO 51 HD2 PRO 51 0.029 5.959 6.962 Start of MODEL 4 1 HA ASN 1 HA ASN 1 -7.303 27.058 -1.586 2 HB2 ASN 1 HB3 ASN 1 -4.745 25.520 -2.138 3 HB3 ASN 1 HB2 ASN 1 -5.053 27.212 -2.526 4 HD21 ASN 1 HD21 ASN 1 -6.140 28.284 -0.256 5 HD22 ASN 1 HD22 ASN 1 -5.110 28.078 1.076 6 H ASP 2 H ASP 2 -5.581 24.524 -3.401 7 HA ASP 2 HA ASP 2 -7.083 25.097 -5.802 8 HB2 ASP 2 HB3 ASP 2 -5.274 22.775 -5.066 9 HB3 ASP 2 HB2 ASP 2 -5.958 23.016 -6.673 10 H ILE 3 H ILE 3 -8.830 23.986 -6.683 11 HA ILE 3 HA ILE 3 -10.553 22.559 -4.852 12 HB ILE 3 HB ILE 3 -10.687 22.854 -7.868 13 HG12 ILE 3 HG13 ILE 3 -12.139 24.368 -5.676 14 HG13 ILE 3 HG12 ILE 3 -10.714 24.977 -6.518 15 HG21 ILE 3 HG21 ILE 3 -12.426 21.547 -5.840 16 HG22 ILE 3 HG22 ILE 3 -12.215 21.173 -7.551 17 HG23 ILE 3 HG23 ILE 3 -13.243 22.521 -7.065 18 HD11 ILE 3 HD11 ILE 3 -12.956 24.005 -8.216 19 HD12 ILE 3 HD12 ILE 3 -11.865 25.365 -8.469 20 HD13 ILE 3 HD13 ILE 3 -13.219 25.518 -7.349 21 H ARG 4 H ARG 4 -7.790 21.545 -6.277 22 HA ARG 4 HA ARG 4 -8.599 18.942 -7.283 23 HB2 ARG 4 HB3 ARG 4 -5.882 19.955 -6.390 24 HB3 ARG 4 HB2 ARG 4 -6.171 18.469 -7.296 25 HG2 ARG 4 HG3 ARG 4 -7.251 19.850 -9.097 26 HG3 ARG 4 HG2 ARG 4 -6.755 21.296 -8.216 27 HD2 ARG 4 HD3 ARG 4 -4.377 20.427 -8.319 28 HD3 ARG 4 HD2 ARG 4 -4.959 19.178 -9.421 29 HE ARG 4 HE ARG 4 -5.864 21.524 -10.572 30 HH11 ARG 4 HH21 ARG 4 -2.839 20.326 -9.420 31 HH12 ARG 4 HH22 ARG 4 -1.898 21.218 -10.570 32 HH21 ARG 4 HH11 ARG 4 -4.651 22.692 -12.077 33 HH22 ARG 4 HH12 ARG 4 -2.923 22.556 -12.073 34 H THR 5 H THR 5 -8.635 20.160 -4.224 35 HA THR 5 HA THR 5 -7.584 17.787 -2.852 36 HB THR 5 HB THR 5 -7.541 20.287 -2.051 37 HG1 THR 5 HG1 THR 5 -7.233 18.062 -0.904 38 HG21 THR 5 HG21 THR 5 -10.110 20.351 -2.319 39 HG22 THR 5 HG22 THR 5 -9.428 21.038 -0.845 40 HG23 THR 5 HG23 THR 5 -10.155 19.432 -0.814 41 H ALA 6 H ALA 6 -10.328 18.368 -4.530 42 HA ALA 6 HA ALA 6 -12.359 17.426 -2.697 43 HB1 ALA 6 HB1 ALA 6 -13.801 17.347 -4.609 44 HB2 ALA 6 HB2 ALA 6 -12.431 17.251 -5.717 45 HB3 ALA 6 HB3 ALA 6 -12.754 18.746 -4.836 46 H ALA 7 H ALA 7 -9.767 15.827 -4.120 47 HA ALA 7 HA ALA 7 -10.937 13.337 -4.880 48 HB1 ALA 7 HB1 ALA 7 -8.219 14.266 -4.100 49 HB2 ALA 7 HB2 ALA 7 -8.729 13.344 -5.514 50 HB3 ALA 7 HB3 ALA 7 -8.529 12.536 -3.959 51 H ASP 8 H ASP 8 -11.474 11.518 -3.673 52 HA ASP 8 HA ASP 8 -11.641 11.948 -0.734 53 HB2 ASP 8 HB3 ASP 8 -12.997 9.943 -2.567 54 HB3 ASP 8 HB2 ASP 8 -13.217 10.003 -0.817 55 H MET 9 H MET 9 -9.393 10.815 -2.710 56 HA MET 9 HA MET 9 -8.896 8.234 -1.376 57 HB2 MET 9 HB3 MET 9 -7.577 9.722 -3.643 58 HB3 MET 9 HB2 MET 9 -6.805 8.319 -2.904 59 HG2 MET 9 HG3 MET 9 -9.635 7.865 -3.514 60 HG3 MET 9 HG2 MET 9 -8.676 8.230 -4.949 61 HE1 MET 9 HE1 MET 9 -9.205 6.104 -1.858 62 HE2 MET 9 HE2 MET 9 -7.528 6.567 -1.565 63 HE3 MET 9 HE3 MET 9 -7.926 4.883 -1.895 64 H GLU 10 H GLU 10 -8.646 11.055 -0.113 65 HA GLU 10 HA GLU 10 -5.853 11.428 0.478 66 HB2 GLU 10 HB3 GLU 10 -7.583 13.200 0.780 67 HB3 GLU 10 HB2 GLU 10 -8.253 12.276 2.126 68 HG2 GLU 10 HG3 GLU 10 -6.027 12.388 3.253 69 HG3 GLU 10 HG2 GLU 10 -5.452 13.423 1.947 70 H HIS 11 H HIS 11 -8.332 9.349 1.776 71 HA HIS 11 HA HIS 11 -6.552 8.611 4.044 72 HB2 HIS 11 HB3 HIS 11 -9.453 7.916 3.486 73 HB3 HIS 11 HB2 HIS 11 -8.553 7.433 4.922 74 HD1 HIS 11 HD1 HIS 11 -10.145 10.407 3.283 75 HD2 HIS 11 HD2 HIS 11 -8.032 9.548 6.775 76 HE1 HIS 11 HE1 HIS 11 -10.384 12.436 4.784 77 HE2 HIS 11 HE2 HIS 11 -9.106 11.922 6.915 78 H CYS 12 H CYS 12 -5.297 6.858 3.742 79 HA CYS 12 HA CYS 12 -6.149 4.836 1.708 80 HB2 CYS 12 HB3 CYS 12 -3.389 5.450 2.786 81 HB3 CYS 12 HB2 CYS 12 -3.761 4.262 1.540 82 H ALA 13 H ALA 13 -5.972 2.605 2.285 83 HA ALA 13 HA ALA 13 -5.363 2.055 5.147 84 HB1 ALA 13 HB1 ALA 13 -7.729 0.750 3.833 85 HB2 ALA 13 HB2 ALA 13 -7.895 2.343 4.571 86 HB3 ALA 13 HB3 ALA 13 -7.389 0.967 5.553 87 H ASP 14 H ASP 14 -4.705 -0.128 5.558 88 HA ASP 14 HA ASP 14 -3.349 -1.380 3.316 89 HB2 ASP 14 HB3 ASP 14 -2.660 -3.076 4.977 90 HB3 ASP 14 HB2 ASP 14 -2.397 -1.445 5.594 91 H GLU 15 H GLU 15 -3.905 -3.363 2.300 92 HA GLU 15 HA GLU 15 -6.723 -3.906 2.102 93 HB2 GLU 15 HB3 GLU 15 -4.366 -4.699 0.717 94 HB3 GLU 15 HB2 GLU 15 -5.182 -6.171 1.234 95 HG2 GLU 15 HG3 GLU 15 -7.154 -4.328 0.237 96 HG3 GLU 15 HG2 GLU 15 -5.864 -4.481 -0.949 97 H LYS 16 H LYS 16 -7.973 -5.348 3.201 98 HA LYS 16 HA LYS 16 -6.816 -6.667 5.545 99 HB2 LYS 16 HB3 LYS 16 -9.107 -7.243 6.088 100 HB3 LYS 16 HB2 LYS 16 -9.072 -5.565 5.546 101 HG2 LYS 16 HG3 LYS 16 -9.702 -6.329 3.256 102 HG3 LYS 16 HG2 LYS 16 -9.859 -7.972 3.881 103 HD2 LYS 16 HD3 LYS 16 -11.519 -7.109 5.551 104 HD3 LYS 16 HD2 LYS 16 -11.452 -5.543 4.739 105 HE2 LYS 16 HE3 LYS 16 -13.351 -7.040 3.988 106 HE3 LYS 16 HE2 LYS 16 -12.293 -6.485 2.690 107 HZ1 LYS 16 HZ1 LYS 16 -11.452 -8.537 2.366 108 HZ2 LYS 16 HZ2 LYS 16 -12.943 -9.022 3.021 109 HZ3 LYS 16 HZ3 LYS 16 -11.554 -8.975 4.001 110 H ASN 17 H ASN 17 -7.774 -7.537 2.304 111 HA ASN 17 HA ASN 17 -7.759 -10.421 2.913 112 HB2 ASN 17 HB3 ASN 17 -7.998 -8.961 0.266 113 HB3 ASN 17 HB2 ASN 17 -8.265 -10.687 0.517 114 HD21 ASN 17 HD21 ASN 17 -9.959 -7.867 0.168 115 HD22 ASN 17 HD22 ASN 17 -11.338 -8.241 1.083 116 H PHE 18 H PHE 18 -5.419 -8.093 2.332 117 HA PHE 18 HA PHE 18 -3.596 -10.113 1.087 118 HB2 PHE 18 HB3 PHE 18 -3.949 -7.912 -0.138 119 HB3 PHE 18 HB2 PHE 18 -3.156 -7.120 1.222 120 HD1 PHE 18 HD2 PHE 18 -2.696 -9.636 -1.469 121 HD2 PHE 18 HD1 PHE 18 -0.782 -7.220 1.522 122 HE1 PHE 18 HE2 PHE 18 -0.479 -10.214 -2.420 123 HE2 PHE 18 HE1 PHE 18 1.432 -7.797 0.570 124 HZ PHE 18 HZ PHE 18 1.584 -9.294 -1.400 125 H ASP 19 H ASP 19 -1.813 -10.746 2.255 126 HA ASP 19 HA ASP 19 -1.670 -9.898 5.051 127 HB2 ASP 19 HB3 ASP 19 0.146 -11.742 3.460 128 HB3 ASP 19 HB2 ASP 19 0.148 -11.548 5.214 129 H CYS 20 H CYS 20 -1.138 -7.649 4.746 130 HA CYS 20 HA CYS 20 1.168 -6.782 3.252 131 HB2 CYS 20 HB3 CYS 20 -0.090 -5.365 5.615 132 HB3 CYS 20 HB2 CYS 20 0.780 -4.644 4.260 133 H ARG 21 H ARG 21 0.622 -7.707 6.611 134 HA ARG 21 HA ARG 21 3.125 -6.882 7.682 135 HB2 ARG 21 HB3 ARG 21 0.999 -7.796 8.865 136 HB3 ARG 21 HB2 ARG 21 1.683 -9.387 8.537 137 HG2 ARG 21 HG3 ARG 21 3.284 -7.218 9.901 138 HG3 ARG 21 HG2 ARG 21 2.255 -8.327 10.807 139 HD2 ARG 21 HD3 ARG 21 3.500 -10.224 9.619 140 HD3 ARG 21 HD2 ARG 21 4.658 -8.998 9.103 141 HE ARG 21 HE ARG 21 4.464 -10.106 11.764 142 HH11 ARG 21 HH21 ARG 21 5.127 -7.296 9.881 143 HH12 ARG 21 HH22 ARG 21 6.153 -6.573 11.074 144 HH21 ARG 21 HH11 ARG 21 5.796 -9.179 13.337 145 HH22 ARG 21 HH12 ARG 21 6.532 -7.640 13.033 146 H ARG 22 H ARG 22 2.118 -9.992 6.235 147 HA ARG 22 HA ARG 22 4.696 -11.224 6.503 148 HB2 ARG 22 HB3 ARG 22 3.118 -12.838 6.067 149 HB3 ARG 22 HB2 ARG 22 2.192 -11.786 5.001 150 HG2 ARG 22 HG3 ARG 22 3.769 -12.070 3.211 151 HG3 ARG 22 HG2 ARG 22 4.900 -12.911 4.270 152 HD2 ARG 22 HD3 ARG 22 2.136 -13.893 3.510 153 HD3 ARG 22 HD2 ARG 22 3.656 -14.503 2.854 154 HE ARG 22 HE ARG 22 3.955 -14.797 5.591 155 HH11 ARG 22 HH21 ARG 22 1.639 -15.688 3.206 156 HH12 ARG 22 HH22 ARG 22 1.132 -17.120 4.039 157 HH21 ARG 22 HH11 ARG 22 3.306 -16.659 6.701 158 HH22 ARG 22 HH12 ARG 22 2.076 -17.670 6.018 159 H SER 23 H SER 23 3.090 -9.584 3.777 160 HA SER 23 HA SER 23 5.283 -9.819 1.963 161 HB2 SER 23 HB3 SER 23 3.025 -7.812 2.151 162 HB3 SER 23 HB2 SER 23 4.173 -7.845 0.818 163 HG SER 23 HG SER 23 3.201 -9.547 0.052 164 H LEU 24 H LEU 24 4.502 -7.453 4.467 165 HA LEU 24 HA LEU 24 6.482 -5.504 3.770 166 HB2 LEU 24 HB3 LEU 24 4.636 -5.045 5.330 167 HB3 LEU 24 HB2 LEU 24 5.310 -6.195 6.479 168 HG LEU 24 HG LEU 24 7.446 -4.786 6.423 169 HD11 LEU 24 HD11 LEU 24 5.563 -3.082 4.817 170 HD12 LEU 24 HD12 LEU 24 7.275 -3.407 4.549 171 HD13 LEU 24 HD13 LEU 24 6.777 -2.313 5.840 172 HD21 LEU 24 HD21 LEU 24 4.806 -4.024 7.595 173 HD22 LEU 24 HD22 LEU 24 6.137 -2.883 7.764 174 HD23 LEU 24 HD23 LEU 24 6.291 -4.518 8.406 175 H ARG 25 H ARG 25 6.609 -8.164 6.195 176 HA ARG 25 HA ARG 25 9.366 -7.662 6.850 177 HB2 ARG 25 HB3 ARG 25 9.325 -9.878 7.922 178 HB3 ARG 25 HB2 ARG 25 7.880 -8.963 8.341 179 HG2 ARG 25 HG3 ARG 25 6.672 -10.139 6.486 180 HG3 ARG 25 HG2 ARG 25 8.099 -11.151 6.260 181 HD2 ARG 25 HD3 ARG 25 7.925 -11.864 8.641 182 HD3 ARG 25 HD2 ARG 25 6.445 -10.919 8.792 183 HE ARG 25 HE ARG 25 6.414 -12.892 6.618 184 HH11 ARG 25 HH21 ARG 25 5.803 -12.146 9.926 185 HH12 ARG 25 HH22 ARG 25 4.588 -13.364 10.116 186 HH21 ARG 25 HH11 ARG 25 4.824 -14.486 6.845 187 HH22 ARG 25 HH12 ARG 25 4.033 -14.689 8.373 188 H ASN 26 H ASN 26 7.778 -9.345 4.270 189 HA ASN 26 HA ASN 26 10.094 -10.901 3.435 190 HB2 ASN 26 HB3 ASN 26 7.546 -10.087 2.008 191 HB3 ASN 26 HB2 ASN 26 8.762 -11.153 1.307 192 HD21 ASN 26 HD21 ASN 26 5.998 -11.925 1.950 193 HD22 ASN 26 HD22 ASN 26 6.094 -13.152 3.117 194 H GLY 27 H GLY 27 9.516 -7.653 3.496 195 HA2 GLY 27 HA3 GLY 27 10.777 -5.895 2.551 196 HA3 GLY 27 HA2 GLY 27 11.682 -7.095 1.624 197 H ASP 28 H ASP 28 8.220 -7.203 1.498 198 HA ASP 28 HA ASP 28 8.110 -7.021 -1.331 199 HB2 ASP 28 HB3 ASP 28 6.309 -7.941 0.159 200 HB3 ASP 28 HB2 ASP 28 5.895 -6.287 0.607 201 H CYS 29 H CYS 29 7.779 -4.537 1.179 202 HA CYS 29 HA CYS 29 7.066 -2.394 -0.607 203 HB2 CYS 29 HB3 CYS 29 8.596 -2.165 2.002 204 HB3 CYS 29 HB2 CYS 29 7.602 -0.925 1.239 205 H ASP 30 H ASP 30 10.009 -4.063 0.070 206 HA ASP 30 HA ASP 30 11.669 -1.895 -1.086 207 HB2 ASP 30 HB3 ASP 30 12.371 -4.564 0.164 208 HB3 ASP 30 HB2 ASP 30 13.561 -3.448 -0.510 209 H ASN 31 H ASN 31 9.778 -4.264 -2.329 210 HA ASN 31 HA ASN 31 11.726 -5.054 -4.430 211 HB2 ASN 31 HB3 ASN 31 10.317 -6.796 -3.257 212 HB3 ASN 31 HB2 ASN 31 8.908 -6.063 -4.018 213 HD21 ASN 31 HD21 ASN 31 9.362 -8.669 -4.713 214 HD22 ASN 31 HD22 ASN 31 10.006 -8.784 -6.280 215 H ASP 32 H ASP 32 11.767 -3.707 -6.132 216 HA ASP 32 HA ASP 32 9.875 -1.710 -6.747 217 HB2 ASP 32 HB3 ASP 32 11.793 -3.205 -8.555 218 HB3 ASP 32 HB2 ASP 32 10.914 -1.753 -9.037 219 H ASP 33 H ASP 33 10.040 -5.087 -7.697 220 HA ASP 33 HA ASP 33 7.971 -4.993 -9.686 221 HB2 ASP 33 HB3 ASP 33 9.618 -6.846 -9.460 222 HB3 ASP 33 HB2 ASP 33 8.829 -7.330 -7.958 223 H LYS 34 H LYS 34 7.903 -5.165 -6.185 224 HA LYS 34 HA LYS 34 4.966 -5.702 -6.316 225 HB2 LYS 34 HB3 LYS 34 6.721 -5.798 -3.857 226 HB3 LYS 34 HB2 LYS 34 5.105 -6.480 -4.063 227 HG2 LYS 34 HG3 LYS 34 6.091 -7.926 -5.914 228 HG3 LYS 34 HG2 LYS 34 7.677 -7.401 -5.354 229 HD2 LYS 34 HD3 LYS 34 7.118 -8.242 -3.075 230 HD3 LYS 34 HD2 LYS 34 5.594 -8.864 -3.710 231 HE2 LYS 34 HE3 LYS 34 8.321 -9.931 -4.013 232 HE3 LYS 34 HE2 LYS 34 6.770 -10.762 -4.133 233 HZ1 LYS 34 HZ1 LYS 34 7.993 -9.038 -6.221 234 HZ2 LYS 34 HZ2 LYS 34 6.471 -9.785 -6.332 235 HZ3 LYS 34 HZ3 LYS 34 7.881 -10.729 -6.262 236 H LEU 35 H LEU 35 7.102 -3.172 -6.097 237 HA LEU 35 HA LEU 35 6.111 -1.582 -3.988 238 HB2 LEU 35 HB3 LEU 35 7.430 -1.009 -6.609 239 HB3 LEU 35 HB2 LEU 35 6.707 0.340 -5.733 240 HG LEU 35 HG LEU 35 8.715 -1.609 -4.560 241 HD11 LEU 35 HD11 LEU 35 9.251 0.388 -6.366 242 HD12 LEU 35 HD12 LEU 35 10.389 -0.182 -5.144 243 HD13 LEU 35 HD13 LEU 35 9.403 1.248 -4.834 244 HD21 LEU 35 HD21 LEU 35 7.752 -0.826 -2.646 245 HD22 LEU 35 HD22 LEU 35 6.995 0.533 -3.474 246 HD23 LEU 35 HD23 LEU 35 8.685 0.631 -2.985 247 H LEU 36 H LEU 36 4.960 -1.797 -7.370 248 HA LEU 36 HA LEU 36 2.816 0.079 -7.018 249 HB2 LEU 36 HB3 LEU 36 3.624 -0.679 -9.253 250 HB3 LEU 36 HB2 LEU 36 2.956 -2.278 -8.927 251 HG LEU 36 HG LEU 36 1.051 -0.074 -8.480 252 HD11 LEU 36 HD11 LEU 36 2.025 -0.714 -11.283 253 HD12 LEU 36 HD12 LEU 36 2.268 0.816 -10.443 254 HD13 LEU 36 HD13 LEU 36 0.642 0.302 -10.883 255 HD21 LEU 36 HD21 LEU 36 -0.416 -1.633 -9.711 256 HD22 LEU 36 HD22 LEU 36 0.457 -2.476 -8.432 257 HD23 LEU 36 HD23 LEU 36 0.978 -2.635 -10.108 258 H GLU 37 H GLU 37 3.054 -3.434 -6.597 259 HA GLU 37 HA GLU 37 0.293 -3.930 -6.104 260 HB2 GLU 37 HB3 GLU 37 2.749 -5.336 -5.001 261 HB3 GLU 37 HB2 GLU 37 1.105 -5.969 -4.916 262 HG2 GLU 37 HG3 GLU 37 2.581 -5.292 -7.477 263 HG3 GLU 37 HG2 GLU 37 2.354 -6.919 -6.836 264 H MET 38 H MET 38 2.925 -2.933 -3.944 265 HA MET 38 HA MET 38 1.367 -3.091 -1.523 266 HB2 MET 38 HB3 MET 38 3.852 -1.544 -2.258 267 HB3 MET 38 HB2 MET 38 3.174 -1.577 -0.632 268 HG2 MET 38 HG3 MET 38 3.997 -4.028 -2.211 269 HG3 MET 38 HG2 MET 38 4.980 -3.278 -0.957 270 HE1 MET 38 HE1 MET 38 2.121 -5.148 -2.102 271 HE2 MET 38 HE2 MET 38 1.365 -5.929 -0.718 272 HE3 MET 38 HE3 MET 38 2.964 -6.446 -1.246 273 H GLY 39 H GLY 39 2.162 -0.407 -3.728 274 HA2 GLY 39 HA3 GLY 39 0.829 1.646 -2.284 275 HA3 GLY 39 HA2 GLY 39 1.084 1.660 -4.031 276 H TYR 40 H TYR 40 -0.331 -0.984 -4.204 277 HA TYR 40 HA TYR 40 -3.069 0.127 -4.372 278 HB2 TYR 40 HB3 TYR 40 -2.225 -0.972 -6.361 279 HB3 TYR 40 HB2 TYR 40 -1.815 -2.415 -5.437 280 HD1 TYR 40 HD1 TYR 40 -3.625 -3.813 -4.423 281 HD2 TYR 40 HD2 TYR 40 -4.467 -0.554 -7.092 282 HE1 TYR 40 HE1 TYR 40 -5.913 -4.699 -4.782 283 HE2 TYR 40 HE2 TYR 40 -6.756 -1.438 -7.450 284 HH TYR 40 HH TYR 40 -7.983 -4.168 -5.589 285 H TYR 41 H TYR 41 -1.533 -2.905 -3.210 286 HA TYR 41 HA TYR 41 -3.924 -3.647 -1.732 287 HB2 TYR 41 HB3 TYR 41 -1.138 -4.793 -1.920 288 HB3 TYR 41 HB2 TYR 41 -2.324 -5.429 -0.779 289 HD1 TYR 41 HD1 TYR 41 -4.584 -6.203 -1.679 290 HD2 TYR 41 HD2 TYR 41 -1.208 -5.407 -4.211 291 HE1 TYR 41 HE1 TYR 41 -5.631 -7.533 -3.490 292 HE2 TYR 41 HE2 TYR 41 -2.259 -6.736 -6.024 293 HH TYR 41 HH TYR 41 -3.904 -8.236 -6.484 294 H CYS 42 H CYS 42 -0.594 -2.757 -0.676 295 HA CYS 42 HA CYS 42 -1.880 -1.765 1.822 296 HB2 CYS 42 HB3 CYS 42 0.854 -2.987 1.868 297 HB3 CYS 42 HB2 CYS 42 -0.309 -2.795 3.183 298 HA PRO 43 HA PRO 43 0.767 1.565 -0.090 299 HB2 PRO 43 HB3 PRO 43 -1.078 3.549 0.366 300 HB3 PRO 43 HB2 PRO 43 -1.045 2.572 -1.116 301 HG2 PRO 43 HG3 PRO 43 -2.759 2.278 1.307 302 HG3 PRO 43 HG2 PRO 43 -3.197 2.135 -0.404 303 HD2 PRO 43 HD3 PRO 43 -2.798 -0.043 1.146 304 HD3 PRO 43 HD2 PRO 43 -2.356 -0.031 -0.577 305 H VAL 44 H VAL 44 -1.188 1.402 2.842 306 HA VAL 44 HA VAL 44 0.340 3.464 4.239 307 HB VAL 44 HB VAL 44 -1.588 1.368 5.289 308 HG11 VAL 44 HG11 VAL 44 0.154 3.222 6.617 309 HG12 VAL 44 HG12 VAL 44 -1.007 2.105 7.332 310 HG13 VAL 44 HG13 VAL 44 -1.516 3.728 6.870 311 HG21 VAL 44 HG21 VAL 44 -2.344 3.184 3.554 312 HG22 VAL 44 HG22 VAL 44 -2.192 4.294 4.918 313 HG23 VAL 44 HG23 VAL 44 -3.307 2.931 5.009 314 H THR 45 H THR 45 0.185 -0.087 4.284 315 HA THR 45 HA THR 45 2.013 -0.551 6.398 316 HB THR 45 HB THR 45 1.591 -2.226 3.913 317 HG1 THR 45 HG1 THR 45 0.224 -3.321 5.642 318 HG21 THR 45 HG21 THR 45 3.121 -2.582 6.405 319 HG22 THR 45 HG22 THR 45 3.305 -3.376 4.841 320 HG23 THR 45 HG23 THR 45 2.080 -3.939 5.977 321 H CYS 46 H CYS 46 2.635 -0.005 2.935 322 HA CYS 46 HA CYS 46 5.508 -0.448 3.354 323 HB2 CYS 46 HB3 CYS 46 3.837 0.281 0.949 324 HB3 CYS 46 HB2 CYS 46 5.601 0.249 0.893 325 H GLY 47 H GLY 47 3.490 2.121 3.961 326 HA2 GLY 47 HA3 GLY 47 4.111 4.281 4.688 327 HA3 GLY 47 HA2 GLY 47 5.773 3.916 4.236 328 H PHE 48 H PHE 48 2.908 3.785 2.129 329 HA PHE 48 HA PHE 48 4.210 5.901 0.461 330 HB2 PHE 48 HB3 PHE 48 2.178 3.812 -0.374 331 HB3 PHE 48 HB2 PHE 48 2.990 4.958 -1.437 332 HD1 PHE 48 HD1 PHE 48 5.704 4.664 0.245 333 HD2 PHE 48 HD2 PHE 48 3.031 1.917 -1.694 334 HE1 PHE 48 HE1 PHE 48 7.570 3.071 -0.063 335 HE2 PHE 48 HE2 PHE 48 4.901 0.323 -2.002 336 HZ PHE 48 HZ PHE 48 7.168 0.900 -1.181 337 H CYS 49 H CYS 49 1.564 5.134 2.439 338 HA CYS 49 HA CYS 49 0.343 7.743 1.812 339 HB2 CYS 49 HB3 CYS 49 -0.713 5.805 0.405 340 HB3 CYS 49 HB2 CYS 49 -1.481 5.363 1.927 341 H GLU 50 H GLU 50 -1.646 7.996 3.419 342 HA GLU 50 HA GLU 50 -0.607 7.186 6.085 343 HB2 GLU 50 HB3 GLU 50 -2.182 8.984 6.898 344 HB3 GLU 50 HB2 GLU 50 -0.912 9.569 5.821 345 HG2 GLU 50 HG3 GLU 50 -3.078 8.744 4.178 346 HG3 GLU 50 HG2 GLU 50 -3.759 9.729 5.473 347 HA PRO 51 HA PRO 51 -3.972 4.379 6.717 348 HB2 PRO 51 HB3 PRO 51 -4.220 4.552 9.447 349 HB3 PRO 51 HB2 PRO 51 -2.923 3.656 8.632 350 HG2 PRO 51 HG3 PRO 51 -2.869 6.354 9.879 351 HG3 PRO 51 HG2 PRO 51 -1.631 5.088 9.867 352 HD2 PRO 51 HD3 PRO 51 -1.521 7.284 8.240 353 HD3 PRO 51 HD2 PRO 51 -0.814 5.714 7.798 Start of MODEL 5 1 HA ASN 1 HA ASN 1 -23.466 16.765 -9.228 2 HB2 ASN 1 HB3 ASN 1 -23.705 19.385 -7.726 3 HB3 ASN 1 HB2 ASN 1 -22.206 18.468 -7.870 4 HD21 ASN 1 HD21 ASN 1 -22.456 21.107 -8.976 5 HD22 ASN 1 HD22 ASN 1 -22.379 20.980 -10.666 6 H ASP 2 H ASP 2 -22.906 15.185 -7.814 7 HA ASP 2 HA ASP 2 -24.426 14.867 -5.334 8 HB2 ASP 2 HB3 ASP 2 -23.792 12.918 -6.740 9 HB3 ASP 2 HB2 ASP 2 -22.093 13.245 -6.396 10 H ILE 3 H ILE 3 -23.759 15.508 -3.348 11 HA ILE 3 HA ILE 3 -21.314 17.064 -3.105 12 HB ILE 3 HB ILE 3 -23.257 16.129 -0.971 13 HG12 ILE 3 HG13 ILE 3 -23.058 18.777 -2.446 14 HG13 ILE 3 HG12 ILE 3 -24.252 17.527 -2.799 15 HG21 ILE 3 HG21 ILE 3 -21.634 16.923 0.402 16 HG22 ILE 3 HG22 ILE 3 -22.112 18.518 -0.181 17 HG23 ILE 3 HG23 ILE 3 -20.759 17.676 -0.934 18 HD11 ILE 3 HD11 ILE 3 -25.241 19.204 -1.319 19 HD12 ILE 3 HD12 ILE 3 -23.923 18.995 -0.166 20 HD13 ILE 3 HD13 ILE 3 -25.064 17.681 -0.448 21 H ARG 4 H ARG 4 -21.818 13.787 -3.146 22 HA ARG 4 HA ARG 4 -20.079 12.994 -0.947 23 HB2 ARG 4 HB3 ARG 4 -20.994 11.478 -3.412 24 HB3 ARG 4 HB2 ARG 4 -20.137 10.761 -2.048 25 HG2 ARG 4 HG3 ARG 4 -21.972 11.460 -0.537 26 HG3 ARG 4 HG2 ARG 4 -22.841 12.134 -1.917 27 HD2 ARG 4 HD3 ARG 4 -22.703 9.819 -2.975 28 HD3 ARG 4 HD2 ARG 4 -22.144 9.231 -1.409 29 HE ARG 4 HE ARG 4 -24.878 9.946 -2.080 30 HH11 ARG 4 HH21 ARG 4 -22.481 9.839 0.398 31 HH12 ARG 4 HH22 ARG 4 -23.627 9.693 1.685 32 HH21 ARG 4 HH11 ARG 4 -26.387 9.753 -0.413 33 HH22 ARG 4 HH12 ARG 4 -25.842 9.645 1.227 34 H THR 5 H THR 5 -19.418 14.654 -3.689 35 HA THR 5 HA THR 5 -16.990 13.239 -4.506 36 HB THR 5 HB THR 5 -18.599 14.797 -5.912 37 HG1 THR 5 HG1 THR 5 -16.141 15.493 -6.678 38 HG21 THR 5 HG21 THR 5 -16.517 16.817 -5.102 39 HG22 THR 5 HG22 THR 5 -18.046 16.692 -4.233 40 HG23 THR 5 HG23 THR 5 -18.041 17.082 -5.953 41 H ALA 6 H ALA 6 -17.699 14.967 -1.828 42 HA ALA 6 HA ALA 6 -15.435 16.779 -1.716 43 HB1 ALA 6 HB1 ALA 6 -16.141 16.190 0.915 44 HB2 ALA 6 HB2 ALA 6 -17.646 15.995 0.021 45 HB3 ALA 6 HB3 ALA 6 -16.770 17.523 -0.053 46 H ALA 7 H ALA 7 -15.723 13.406 -1.473 47 HA ALA 7 HA ALA 7 -13.730 12.848 0.515 48 HB1 ALA 7 HB1 ALA 7 -15.283 11.126 -0.331 49 HB2 ALA 7 HB2 ALA 7 -13.610 10.618 -0.565 50 HB3 ALA 7 HB3 ALA 7 -14.545 11.240 -1.928 51 H ASP 8 H ASP 8 -11.487 12.864 0.351 52 HA ASP 8 HA ASP 8 -10.382 13.797 -2.255 53 HB2 ASP 8 HB3 ASP 8 -9.176 13.819 0.531 54 HB3 ASP 8 HB2 ASP 8 -8.373 14.417 -0.921 55 H MET 9 H MET 9 -10.866 10.939 -0.696 56 HA MET 9 HA MET 9 -9.778 8.853 -0.728 57 HB2 MET 9 HB3 MET 9 -9.189 10.067 -3.428 58 HB3 MET 9 HB2 MET 9 -8.611 8.454 -3.011 59 HG2 MET 9 HG3 MET 9 -11.431 8.861 -2.319 60 HG3 MET 9 HG2 MET 9 -11.114 9.043 -4.045 61 HE1 MET 9 HE1 MET 9 -9.156 6.800 -1.400 62 HE2 MET 9 HE2 MET 9 -10.231 5.403 -1.398 63 HE3 MET 9 HE3 MET 9 -10.849 6.980 -0.911 64 H GLU 10 H GLU 10 -8.210 11.375 0.148 65 HA GLU 10 HA GLU 10 -5.440 10.770 -0.515 66 HB2 GLU 10 HB3 GLU 10 -6.282 13.053 0.165 67 HB3 GLU 10 HB2 GLU 10 -6.488 12.422 1.800 68 HG2 GLU 10 HG3 GLU 10 -4.065 11.793 1.814 69 HG3 GLU 10 HG2 GLU 10 -3.894 12.573 0.240 70 H HIS 11 H HIS 11 -7.726 9.377 1.527 71 HA HIS 11 HA HIS 11 -5.664 8.386 3.421 72 HB2 HIS 11 HB3 HIS 11 -8.672 8.006 3.481 73 HB3 HIS 11 HB2 HIS 11 -7.536 7.602 4.769 74 HD1 HIS 11 HD1 HIS 11 -9.304 10.473 3.176 75 HD2 HIS 11 HD2 HIS 11 -6.434 9.882 6.145 76 HE1 HIS 11 HE1 HIS 11 -9.068 12.683 4.397 77 HE2 HIS 11 HE2 HIS 11 -7.320 12.333 6.205 78 H CYS 12 H CYS 12 -4.844 6.417 3.119 79 HA CYS 12 HA CYS 12 -6.321 4.520 1.343 80 HB2 CYS 12 HB3 CYS 12 -3.365 4.351 1.917 81 HB3 CYS 12 HB2 CYS 12 -4.261 3.690 0.549 82 H ALA 13 H ALA 13 -6.085 2.212 2.014 83 HA ALA 13 HA ALA 13 -5.329 1.919 4.883 84 HB1 ALA 13 HB1 ALA 13 -7.352 0.768 5.419 85 HB2 ALA 13 HB2 ALA 13 -7.831 0.678 3.724 86 HB3 ALA 13 HB3 ALA 13 -7.840 2.230 4.561 87 H ASP 14 H ASP 14 -4.595 -0.181 5.444 88 HA ASP 14 HA ASP 14 -3.330 -1.647 3.316 89 HB2 ASP 14 HB3 ASP 14 -2.784 -3.297 5.111 90 HB3 ASP 14 HB2 ASP 14 -2.370 -1.642 5.561 91 H GLU 15 H GLU 15 -4.019 -3.526 2.261 92 HA GLU 15 HA GLU 15 -6.818 -4.065 2.146 93 HB2 GLU 15 HB3 GLU 15 -4.428 -5.085 0.887 94 HB3 GLU 15 HB2 GLU 15 -5.459 -6.429 1.371 95 HG2 GLU 15 HG3 GLU 15 -7.272 -4.624 0.298 96 HG3 GLU 15 HG2 GLU 15 -5.863 -4.444 -0.746 97 H LYS 16 H LYS 16 -8.106 -5.542 3.236 98 HA LYS 16 HA LYS 16 -6.982 -6.716 5.687 99 HB2 LYS 16 HB3 LYS 16 -9.272 -7.289 6.229 100 HB3 LYS 16 HB2 LYS 16 -9.263 -5.642 5.596 101 HG2 LYS 16 HG3 LYS 16 -9.817 -6.581 3.331 102 HG3 LYS 16 HG2 LYS 16 -9.998 -8.165 4.089 103 HD2 LYS 16 HD3 LYS 16 -11.669 -7.095 5.670 104 HD3 LYS 16 HD2 LYS 16 -11.620 -5.670 4.630 105 HE2 LYS 16 HE3 LYS 16 -12.342 -8.473 3.721 106 HE3 LYS 16 HE2 LYS 16 -13.494 -7.168 4.017 107 HZ1 LYS 16 HZ1 LYS 16 -11.278 -7.085 2.043 108 HZ2 LYS 16 HZ2 LYS 16 -12.421 -5.859 2.313 109 HZ3 LYS 16 HZ3 LYS 16 -12.910 -7.353 1.671 110 H ASN 17 H ASN 17 -7.916 -7.728 2.479 111 HA ASN 17 HA ASN 17 -7.858 -10.589 3.208 112 HB2 ASN 17 HB3 ASN 17 -8.210 -9.242 0.515 113 HB3 ASN 17 HB2 ASN 17 -8.455 -10.958 0.851 114 HD21 ASN 17 HD21 ASN 17 -10.240 -8.273 0.343 115 HD22 ASN 17 HD22 ASN 17 -11.546 -8.564 1.384 116 H PHE 18 H PHE 18 -5.571 -8.248 2.367 117 HA PHE 18 HA PHE 18 -3.776 -10.322 1.182 118 HB2 PHE 18 HB3 PHE 18 -4.163 -8.212 -0.138 119 HB3 PHE 18 HB2 PHE 18 -3.400 -7.316 1.176 120 HD1 PHE 18 HD2 PHE 18 -2.864 -9.860 -1.457 121 HD2 PHE 18 HD1 PHE 18 -1.018 -7.401 1.539 122 HE1 PHE 18 HE2 PHE 18 -0.630 -10.389 -2.398 123 HE2 PHE 18 HE1 PHE 18 1.212 -7.926 0.598 124 HZ PHE 18 HZ PHE 18 1.408 -9.422 -1.372 125 H ASP 19 H ASP 19 -2.044 -10.984 2.388 126 HA ASP 19 HA ASP 19 -1.775 -9.990 5.117 127 HB2 ASP 19 HB3 ASP 19 -0.129 -11.997 3.542 128 HB3 ASP 19 HB2 ASP 19 0.050 -11.678 5.270 129 H CYS 20 H CYS 20 -1.158 -7.775 4.732 130 HA CYS 20 HA CYS 20 1.155 -7.044 3.174 131 HB2 CYS 20 HB3 CYS 20 -0.006 -5.516 5.516 132 HB3 CYS 20 HB2 CYS 20 0.880 -4.862 4.140 133 H ARG 21 H ARG 21 0.633 -7.883 6.553 134 HA ARG 21 HA ARG 21 3.140 -7.120 7.628 135 HB2 ARG 21 HB3 ARG 21 1.009 -8.120 8.759 136 HB3 ARG 21 HB2 ARG 21 1.740 -9.680 8.395 137 HG2 ARG 21 HG3 ARG 21 3.263 -7.509 9.842 138 HG3 ARG 21 HG2 ARG 21 2.247 -8.662 10.702 139 HD2 ARG 21 HD3 ARG 21 3.549 -10.510 9.568 140 HD3 ARG 21 HD2 ARG 21 4.661 -9.275 8.984 141 HE ARG 21 HE ARG 21 4.550 -10.302 11.689 142 HH11 ARG 21 HH21 ARG 21 5.171 -7.546 9.698 143 HH12 ARG 21 HH22 ARG 21 6.199 -6.777 10.864 144 HH21 ARG 21 HH11 ARG 21 5.881 -9.299 13.216 145 HH22 ARG 21 HH12 ARG 21 6.596 -7.764 12.848 146 H ARG 22 H ARG 22 2.108 -10.068 5.962 147 HA ARG 22 HA ARG 22 4.637 -11.432 6.164 148 HB2 ARG 22 HB3 ARG 22 2.952 -12.917 5.647 149 HB3 ARG 22 HB2 ARG 22 2.108 -11.760 4.619 150 HG2 ARG 22 HG3 ARG 22 3.645 -12.080 2.825 151 HG3 ARG 22 HG2 ARG 22 4.772 -12.957 3.855 152 HD2 ARG 22 HD3 ARG 22 3.145 -14.783 4.103 153 HD3 ARG 22 HD2 ARG 22 1.984 -13.894 3.117 154 HE ARG 22 HE ARG 22 4.270 -15.399 2.114 155 HH11 ARG 22 HH21 ARG 22 2.132 -12.743 1.655 156 HH12 ARG 22 HH22 ARG 22 2.309 -12.720 -0.068 157 HH21 ARG 22 HH11 ARG 22 4.525 -15.385 -0.144 158 HH22 ARG 22 HH12 ARG 22 3.665 -14.211 -1.085 159 H SER 23 H SER 23 3.111 -9.519 3.565 160 HA SER 23 HA SER 23 5.352 -9.746 1.774 161 HB2 SER 23 HB3 SER 23 4.249 -8.036 0.476 162 HB3 SER 23 HB2 SER 23 2.995 -9.078 1.135 163 HG SER 23 HG SER 23 3.785 -6.940 2.717 164 H LEU 24 H LEU 24 4.464 -7.473 4.320 165 HA LEU 24 HA LEU 24 6.434 -5.481 3.748 166 HB2 LEU 24 HB3 LEU 24 4.545 -5.081 5.266 167 HB3 LEU 24 HB2 LEU 24 5.191 -6.266 6.398 168 HG LEU 24 HG LEU 24 7.327 -4.859 6.443 169 HD11 LEU 24 HD11 LEU 24 5.505 -3.135 4.806 170 HD12 LEU 24 HD12 LEU 24 7.237 -3.418 4.630 171 HD13 LEU 24 HD13 LEU 24 6.638 -2.364 5.913 172 HD21 LEU 24 HD21 LEU 24 6.159 -4.605 8.408 173 HD22 LEU 24 HD22 LEU 24 4.668 -4.142 7.586 174 HD23 LEU 24 HD23 LEU 24 5.970 -2.969 7.779 175 H ARG 25 H ARG 25 6.516 -8.236 6.041 176 HA ARG 25 HA ARG 25 9.231 -7.718 6.853 177 HB2 ARG 25 HB3 ARG 25 9.157 -9.948 7.863 178 HB3 ARG 25 HB2 ARG 25 7.647 -9.097 8.193 179 HG2 ARG 25 HG3 ARG 25 6.637 -10.246 6.209 180 HG3 ARG 25 HG2 ARG 25 8.120 -11.192 6.056 181 HD2 ARG 25 HD3 ARG 25 7.797 -12.035 8.366 182 HD3 ARG 25 HD2 ARG 25 6.292 -11.125 8.473 183 HE ARG 25 HE ARG 25 5.263 -12.829 7.220 184 HH11 ARG 25 HH21 ARG 25 8.681 -12.793 6.759 185 HH12 ARG 25 HH22 ARG 25 8.704 -14.255 5.830 186 HH21 ARG 25 HH11 ARG 25 5.274 -14.737 6.022 187 HH22 ARG 25 HH12 ARG 25 6.772 -15.357 5.415 188 H ASN 26 H ASN 26 7.792 -9.385 4.162 189 HA ASN 26 HA ASN 26 10.189 -10.866 3.427 190 HB2 ASN 26 HB3 ASN 26 7.685 -10.116 1.892 191 HB3 ASN 26 HB2 ASN 26 8.953 -11.161 1.252 192 HD21 ASN 26 HD21 ASN 26 6.149 -11.937 1.854 193 HD22 ASN 26 HD22 ASN 26 6.239 -13.170 3.017 194 H GLY 27 H GLY 27 9.489 -7.642 3.474 195 HA2 GLY 27 HA3 GLY 27 10.791 -5.850 2.639 196 HA3 GLY 27 HA2 GLY 27 11.715 -7.008 1.681 197 H ASP 28 H ASP 28 8.254 -7.118 1.491 198 HA ASP 28 HA ASP 28 8.192 -6.837 -1.329 199 HB2 ASP 28 HB3 ASP 28 6.371 -7.806 0.094 200 HB3 ASP 28 HB2 ASP 28 5.949 -6.168 0.597 201 H CYS 29 H CYS 29 7.754 -4.412 1.233 202 HA CYS 29 HA CYS 29 7.047 -2.239 -0.500 203 HB2 CYS 29 HB3 CYS 29 8.612 -2.042 2.090 204 HB3 CYS 29 HB2 CYS 29 7.575 -0.812 1.373 205 H ASP 30 H ASP 30 9.998 -3.905 0.124 206 HA ASP 30 HA ASP 30 11.673 -1.715 -0.965 207 HB2 ASP 30 HB3 ASP 30 12.354 -4.433 0.184 208 HB3 ASP 30 HB2 ASP 30 13.549 -3.267 -0.380 209 H ASN 31 H ASN 31 9.825 -4.096 -2.315 210 HA ASN 31 HA ASN 31 11.829 -4.779 -4.413 211 HB2 ASN 31 HB3 ASN 31 10.418 -6.552 -3.222 212 HB3 ASN 31 HB2 ASN 31 9.043 -5.893 -4.104 213 HD21 ASN 31 HD21 ASN 31 9.590 -8.480 -4.689 214 HD22 ASN 31 HD22 ASN 31 10.357 -8.632 -6.198 215 H ASP 32 H ASP 32 11.811 -3.422 -6.134 216 HA ASP 32 HA ASP 32 9.800 -1.513 -6.690 217 HB2 ASP 32 HB3 ASP 32 11.795 -2.815 -8.565 218 HB3 ASP 32 HB2 ASP 32 10.830 -1.396 -8.971 219 H ASP 33 H ASP 33 10.122 -4.871 -7.688 220 HA ASP 33 HA ASP 33 8.045 -4.798 -9.682 221 HB2 ASP 33 HB3 ASP 33 9.819 -6.598 -9.424 222 HB3 ASP 33 HB2 ASP 33 8.886 -7.211 -8.060 223 H LYS 34 H LYS 34 7.982 -4.952 -6.199 224 HA LYS 34 HA LYS 34 5.074 -5.650 -6.318 225 HB2 LYS 34 HB3 LYS 34 6.858 -5.701 -3.875 226 HB3 LYS 34 HB2 LYS 34 5.252 -6.410 -4.054 227 HG2 LYS 34 HG3 LYS 34 6.271 -7.817 -5.955 228 HG3 LYS 34 HG2 LYS 34 7.837 -7.305 -5.329 229 HD2 LYS 34 HD3 LYS 34 7.208 -8.189 -3.091 230 HD3 LYS 34 HD2 LYS 34 5.689 -8.770 -3.773 231 HE2 LYS 34 HE3 LYS 34 6.685 -10.514 -4.855 232 HE3 LYS 34 HE2 LYS 34 8.130 -9.578 -5.244 233 HZ1 LYS 34 HZ1 LYS 34 8.865 -11.112 -3.687 234 HZ2 LYS 34 HZ2 LYS 34 7.460 -10.990 -2.739 235 HZ3 LYS 34 HZ3 LYS 34 8.595 -9.726 -2.748 236 H LEU 35 H LEU 35 7.084 -3.023 -6.087 237 HA LEU 35 HA LEU 35 6.031 -1.497 -3.955 238 HB2 LEU 35 HB3 LEU 35 7.290 -0.834 -6.589 239 HB3 LEU 35 HB2 LEU 35 6.546 0.467 -5.661 240 HG LEU 35 HG LEU 35 8.665 -1.436 -4.614 241 HD11 LEU 35 HD11 LEU 35 9.147 1.484 -4.864 242 HD12 LEU 35 HD12 LEU 35 9.093 0.581 -6.377 243 HD13 LEU 35 HD13 LEU 35 10.254 0.140 -5.123 244 HD21 LEU 35 HD21 LEU 35 8.563 0.750 -2.948 245 HD22 LEU 35 HD22 LEU 35 7.750 -0.781 -2.633 246 HD23 LEU 35 HD23 LEU 35 6.865 0.548 -3.379 247 H LEU 36 H LEU 36 4.855 -1.833 -7.308 248 HA LEU 36 HA LEU 36 2.651 -0.015 -6.955 249 HB2 LEU 36 HB3 LEU 36 3.484 -0.737 -9.194 250 HB3 LEU 36 HB2 LEU 36 2.858 -2.357 -8.877 251 HG LEU 36 HG LEU 36 0.915 -0.177 -8.421 252 HD11 LEU 36 HD11 LEU 36 2.162 -0.695 -11.115 253 HD12 LEU 36 HD12 LEU 36 1.777 0.848 -10.356 254 HD13 LEU 36 HD13 LEU 36 0.482 -0.169 -10.984 255 HD21 LEU 36 HD21 LEU 36 0.601 -2.760 -8.446 256 HD22 LEU 36 HD22 LEU 36 0.638 -2.596 -10.203 257 HD23 LEU 36 HD23 LEU 36 -0.606 -1.769 -9.267 258 H GLU 37 H GLU 37 3.053 -3.506 -6.478 259 HA GLU 37 HA GLU 37 0.319 -4.150 -5.995 260 HB2 GLU 37 HB3 GLU 37 2.791 -5.386 -4.729 261 HB3 GLU 37 HB2 GLU 37 1.188 -6.124 -4.807 262 HG2 GLU 37 HG3 GLU 37 1.307 -6.006 -7.306 263 HG3 GLU 37 HG2 GLU 37 2.959 -5.408 -7.162 264 H MET 38 H MET 38 2.879 -2.983 -3.832 265 HA MET 38 HA MET 38 1.263 -3.111 -1.440 266 HB2 MET 38 HB3 MET 38 3.744 -1.520 -2.121 267 HB3 MET 38 HB2 MET 38 3.047 -1.630 -0.504 268 HG2 MET 38 HG3 MET 38 3.926 -4.006 -2.161 269 HG3 MET 38 HG2 MET 38 4.900 -3.273 -0.890 270 HE1 MET 38 HE1 MET 38 3.045 -6.405 -1.351 271 HE2 MET 38 HE2 MET 38 2.008 -5.161 -2.047 272 HE3 MET 38 HE3 MET 38 1.438 -6.111 -0.677 273 H GLY 39 H GLY 39 2.109 -0.479 -3.694 274 HA2 GLY 39 HA3 GLY 39 0.741 1.609 -2.344 275 HA3 GLY 39 HA2 GLY 39 1.003 1.557 -4.091 276 H TYR 40 H TYR 40 -0.376 -1.050 -4.295 277 HA TYR 40 HA TYR 40 -3.131 0.016 -4.389 278 HB2 TYR 40 HB3 TYR 40 -2.319 -1.017 -6.423 279 HB3 TYR 40 HB2 TYR 40 -1.854 -2.478 -5.546 280 HD1 TYR 40 HD1 TYR 40 -3.532 -4.022 -4.683 281 HD2 TYR 40 HD2 TYR 40 -4.657 -0.529 -6.908 282 HE1 TYR 40 HE1 TYR 40 -5.816 -4.940 -4.969 283 HE2 TYR 40 HE2 TYR 40 -6.941 -1.446 -7.194 284 HH TYR 40 HH TYR 40 -8.204 -3.319 -7.002 285 H TYR 41 H TYR 41 -1.520 -2.993 -3.264 286 HA TYR 41 HA TYR 41 -3.899 -3.794 -1.786 287 HB2 TYR 41 HB3 TYR 41 -1.103 -4.934 -1.955 288 HB3 TYR 41 HB2 TYR 41 -2.376 -5.644 -0.967 289 HD1 TYR 41 HD1 TYR 41 -4.630 -6.167 -2.154 290 HD2 TYR 41 HD2 TYR 41 -0.930 -5.507 -4.234 291 HE1 TYR 41 HE1 TYR 41 -5.540 -7.332 -4.143 292 HE2 TYR 41 HE2 TYR 41 -1.843 -6.670 -6.225 293 HH TYR 41 HH TYR 41 -4.271 -8.667 -6.231 294 H CYS 42 H CYS 42 -0.594 -2.749 -0.807 295 HA CYS 42 HA CYS 42 -1.846 -1.933 1.771 296 HB2 CYS 42 HB3 CYS 42 0.903 -3.140 1.700 297 HB3 CYS 42 HB2 CYS 42 -0.192 -2.952 3.069 298 HA PRO 43 HA PRO 43 0.791 1.461 -0.048 299 HB2 PRO 43 HB3 PRO 43 -1.082 3.428 0.284 300 HB3 PRO 43 HB2 PRO 43 -0.996 2.414 -1.168 301 HG2 PRO 43 HG3 PRO 43 -2.794 2.179 1.196 302 HG3 PRO 43 HG2 PRO 43 -3.167 1.981 -0.526 303 HD2 PRO 43 HD3 PRO 43 -2.795 -0.140 1.133 304 HD3 PRO 43 HD2 PRO 43 -2.356 -0.196 -0.587 305 H VAL 44 H VAL 44 -1.323 1.299 2.776 306 HA VAL 44 HA VAL 44 0.090 3.386 4.246 307 HB VAL 44 HB VAL 44 -1.861 1.253 5.176 308 HG11 VAL 44 HG11 VAL 44 -1.026 1.909 7.202 309 HG12 VAL 44 HG12 VAL 44 -2.093 3.290 6.944 310 HG13 VAL 44 HG13 VAL 44 -0.376 3.419 6.560 311 HG21 VAL 44 HG21 VAL 44 -2.144 3.897 3.882 312 HG22 VAL 44 HG22 VAL 44 -3.148 3.661 5.312 313 HG23 VAL 44 HG23 VAL 44 -3.281 2.549 3.953 314 H THR 45 H THR 45 0.032 -0.161 4.261 315 HA THR 45 HA THR 45 1.789 -0.576 6.459 316 HB THR 45 HB THR 45 1.505 -2.290 3.981 317 HG1 THR 45 HG1 THR 45 -0.487 -2.221 4.770 318 HG21 THR 45 HG21 THR 45 3.243 -3.305 5.064 319 HG22 THR 45 HG22 THR 45 1.925 -4.008 6.001 320 HG23 THR 45 HG23 THR 45 2.810 -2.616 6.629 321 H CYS 46 H CYS 46 2.503 -0.050 3.010 322 HA CYS 46 HA CYS 46 5.371 -0.438 3.519 323 HB2 CYS 46 HB3 CYS 46 3.750 0.224 1.065 324 HB3 CYS 46 HB2 CYS 46 5.512 0.269 1.053 325 H GLY 47 H GLY 47 3.298 2.083 4.083 326 HA2 GLY 47 HA3 GLY 47 3.839 4.258 4.810 327 HA3 GLY 47 HA2 GLY 47 5.521 3.944 4.391 328 H PHE 48 H PHE 48 2.742 3.690 2.173 329 HA PHE 48 HA PHE 48 4.023 5.858 0.555 330 HB2 PHE 48 HB3 PHE 48 1.994 3.785 -0.326 331 HB3 PHE 48 HB2 PHE 48 2.835 4.932 -1.363 332 HD1 PHE 48 HD1 PHE 48 5.504 4.586 0.399 333 HD2 PHE 48 HD2 PHE 48 2.862 1.912 -1.686 334 HE1 PHE 48 HE1 PHE 48 7.360 2.984 0.103 335 HE2 PHE 48 HE2 PHE 48 4.732 0.312 -1.982 336 HZ PHE 48 HZ PHE 48 6.974 0.844 -1.088 337 H CYS 49 H CYS 49 1.363 5.035 2.486 338 HA CYS 49 HA CYS 49 -0.037 7.522 1.607 339 HB2 CYS 49 HB3 CYS 49 -1.111 4.773 2.087 340 HB3 CYS 49 HB2 CYS 49 -2.107 6.145 2.570 341 H GLU 50 H GLU 50 -1.553 8.277 3.455 342 HA GLU 50 HA GLU 50 -0.068 7.974 6.027 343 HB2 GLU 50 HB3 GLU 50 -1.670 10.229 4.831 344 HB3 GLU 50 HB2 GLU 50 -1.351 10.165 6.562 345 HG2 GLU 50 HG3 GLU 50 0.868 10.635 6.306 346 HG3 GLU 50 HG2 GLU 50 0.998 9.697 4.818 347 HA PRO 51 HA PRO 51 -3.586 5.445 7.320 348 HB2 PRO 51 HB3 PRO 51 -2.639 6.470 9.966 349 HB3 PRO 51 HB2 PRO 51 -3.044 4.815 9.477 350 HG2 PRO 51 HG3 PRO 51 -0.510 5.660 9.712 351 HG3 PRO 51 HG2 PRO 51 -1.008 4.450 8.522 352 HD2 PRO 51 HD3 PRO 51 -0.171 7.251 8.088 353 HD3 PRO 51 HD2 PRO 51 -0.201 5.897 6.942 Start of MODEL 6 1 HA ASN 1 HA ASN 1 -19.308 22.730 -8.600 2 HB2 ASN 1 HB3 ASN 1 -18.829 21.466 -5.884 3 HB3 ASN 1 HB2 ASN 1 -17.611 21.815 -7.109 4 HD21 ASN 1 HD21 ASN 1 -18.520 24.416 -7.912 5 HD22 ASN 1 HD22 ASN 1 -18.312 25.479 -6.605 6 H ASP 2 H ASP 2 -18.077 20.583 -9.053 7 HA ASP 2 HA ASP 2 -19.991 18.635 -9.939 8 HB2 ASP 2 HB3 ASP 2 -16.974 18.502 -9.644 9 HB3 ASP 2 HB2 ASP 2 -17.941 17.247 -10.424 10 H ILE 3 H ILE 3 -20.545 16.633 -9.036 11 HA ILE 3 HA ILE 3 -20.173 16.383 -6.150 12 HB ILE 3 HB ILE 3 -21.414 14.460 -8.146 13 HG12 ILE 3 HG13 ILE 3 -22.766 16.397 -6.248 14 HG13 ILE 3 HG12 ILE 3 -22.473 16.754 -7.950 15 HG21 ILE 3 HG21 ILE 3 -21.336 13.049 -6.373 16 HG22 ILE 3 HG22 ILE 3 -22.579 14.077 -5.663 17 HG23 ILE 3 HG23 ILE 3 -20.883 14.341 -5.264 18 HD11 ILE 3 HD11 ILE 3 -24.220 15.483 -8.602 19 HD12 ILE 3 HD12 ILE 3 -24.685 15.404 -6.902 20 HD13 ILE 3 HD13 ILE 3 -23.687 14.131 -7.604 21 H ARG 4 H ARG 4 -18.080 15.883 -8.556 22 HA ARG 4 HA ARG 4 -17.116 13.203 -7.961 23 HB2 ARG 4 HB3 ARG 4 -15.753 15.535 -9.347 24 HB3 ARG 4 HB2 ARG 4 -15.148 13.879 -9.315 25 HG2 ARG 4 HG3 ARG 4 -17.253 13.118 -10.409 26 HG3 ARG 4 HG2 ARG 4 -17.775 14.800 -10.512 27 HD2 ARG 4 HD3 ARG 4 -15.649 15.287 -11.786 28 HD3 ARG 4 HD2 ARG 4 -15.360 13.549 -11.843 29 HE ARG 4 HE ARG 4 -17.871 13.702 -12.875 30 HH11 ARG 4 HH21 ARG 4 -14.979 15.496 -13.392 31 HH12 ARG 4 HH22 ARG 4 -15.354 15.886 -15.036 32 HH21 ARG 4 HH11 ARG 4 -18.382 14.193 -15.023 33 HH22 ARG 4 HH12 ARG 4 -17.281 15.148 -15.962 34 H THR 5 H THR 5 -17.077 16.017 -6.206 35 HA THR 5 HA THR 5 -14.393 15.628 -5.060 36 HB THR 5 HB THR 5 -15.561 17.903 -5.498 37 HG1 THR 5 HG1 THR 5 -14.808 18.250 -3.005 38 HG21 THR 5 HG21 THR 5 -17.624 16.946 -4.174 39 HG22 THR 5 HG22 THR 5 -17.181 18.642 -3.996 40 HG23 THR 5 HG23 THR 5 -16.711 17.475 -2.762 41 H ALA 6 H ALA 6 -17.400 14.268 -4.659 42 HA ALA 6 HA ALA 6 -17.421 14.086 -1.744 43 HB1 ALA 6 HB1 ALA 6 -18.927 12.060 -3.274 44 HB2 ALA 6 HB2 ALA 6 -19.324 13.726 -3.687 45 HB3 ALA 6 HB3 ALA 6 -19.487 13.168 -2.022 46 H ALA 7 H ALA 7 -15.479 12.725 -4.061 47 HA ALA 7 HA ALA 7 -15.304 9.983 -3.454 48 HB1 ALA 7 HB1 ALA 7 -13.473 12.038 -4.542 49 HB2 ALA 7 HB2 ALA 7 -13.835 10.422 -5.147 50 HB3 ALA 7 HB3 ALA 7 -12.680 10.634 -3.833 51 H ASP 8 H ASP 8 -14.315 8.804 -1.823 52 HA ASP 8 HA ASP 8 -13.307 10.390 0.503 53 HB2 ASP 8 HB3 ASP 8 -14.687 7.699 0.375 54 HB3 ASP 8 HB2 ASP 8 -13.931 8.336 1.834 55 H MET 9 H MET 9 -11.995 8.923 -2.000 56 HA MET 9 HA MET 9 -10.299 6.906 -0.838 57 HB2 MET 9 HB3 MET 9 -10.174 8.545 -3.364 58 HB3 MET 9 HB2 MET 9 -8.859 7.458 -2.924 59 HG2 MET 9 HG3 MET 9 -11.455 6.173 -2.620 60 HG3 MET 9 HG2 MET 9 -11.204 6.753 -4.266 61 HE1 MET 9 HE1 MET 9 -9.833 4.766 -1.302 62 HE2 MET 9 HE2 MET 9 -8.389 5.699 -1.686 63 HE3 MET 9 HE3 MET 9 -8.389 3.956 -1.926 64 H GLU 10 H GLU 10 -10.489 9.870 0.193 65 HA GLU 10 HA GLU 10 -7.805 10.905 0.030 66 HB2 GLU 10 HB3 GLU 10 -9.797 12.282 0.614 67 HB3 GLU 10 HB2 GLU 10 -9.913 11.416 2.146 68 HG2 GLU 10 HG3 GLU 10 -7.588 12.149 2.689 69 HG3 GLU 10 HG2 GLU 10 -7.576 13.106 1.205 70 H HIS 11 H HIS 11 -9.366 8.546 2.068 71 HA HIS 11 HA HIS 11 -7.023 8.534 3.895 72 HB2 HIS 11 HB3 HIS 11 -9.697 7.106 4.076 73 HB3 HIS 11 HB2 HIS 11 -8.432 7.051 5.304 74 HD1 HIS 11 HD1 HIS 11 -11.260 9.087 4.111 75 HD2 HIS 11 HD2 HIS 11 -7.912 9.686 6.527 76 HE1 HIS 11 HE1 HIS 11 -11.668 11.241 5.385 77 HE2 HIS 11 HE2 HIS 11 -9.640 11.611 6.859 78 H CYS 12 H CYS 12 -5.451 7.083 3.491 79 HA CYS 12 HA CYS 12 -5.971 4.871 1.600 80 HB2 CYS 12 HB3 CYS 12 -3.406 5.771 2.944 81 HB3 CYS 12 HB2 CYS 12 -3.524 4.540 1.690 82 H ALA 13 H ALA 13 -5.945 2.712 2.221 83 HA ALA 13 HA ALA 13 -5.309 2.135 5.070 84 HB1 ALA 13 HB1 ALA 13 -7.772 1.084 3.664 85 HB2 ALA 13 HB2 ALA 13 -7.781 2.468 4.757 86 HB3 ALA 13 HB3 ALA 13 -7.338 0.872 5.359 87 H ASP 14 H ASP 14 -4.630 -0.033 5.445 88 HA ASP 14 HA ASP 14 -3.366 -1.284 3.145 89 HB2 ASP 14 HB3 ASP 14 -2.554 -2.933 4.774 90 HB3 ASP 14 HB2 ASP 14 -2.315 -1.299 5.391 91 H GLU 15 H GLU 15 -3.906 -3.342 2.253 92 HA GLU 15 HA GLU 15 -6.706 -3.921 2.092 93 HB2 GLU 15 HB3 GLU 15 -4.276 -4.915 0.899 94 HB3 GLU 15 HB2 GLU 15 -5.265 -6.273 1.427 95 HG2 GLU 15 HG3 GLU 15 -7.131 -4.594 0.264 96 HG3 GLU 15 HG2 GLU 15 -5.718 -4.376 -0.765 97 H LYS 16 H LYS 16 -7.968 -5.364 3.230 98 HA LYS 16 HA LYS 16 -6.803 -6.495 5.695 99 HB2 LYS 16 HB3 LYS 16 -9.095 -6.992 6.320 100 HB3 LYS 16 HB2 LYS 16 -9.048 -5.351 5.679 101 HG2 LYS 16 HG3 LYS 16 -9.738 -6.247 3.450 102 HG3 LYS 16 HG2 LYS 16 -9.908 -7.845 4.182 103 HD2 LYS 16 HD3 LYS 16 -11.501 -6.798 5.851 104 HD3 LYS 16 HD2 LYS 16 -11.457 -5.334 4.869 105 HE2 LYS 16 HE3 LYS 16 -12.040 -7.928 3.496 106 HE3 LYS 16 HE2 LYS 16 -13.315 -7.200 4.472 107 HZ1 LYS 16 HZ1 LYS 16 -12.048 -5.235 2.880 108 HZ2 LYS 16 HZ2 LYS 16 -13.680 -5.702 2.905 109 HZ3 LYS 16 HZ3 LYS 16 -12.578 -6.515 1.902 110 H ASN 17 H ASN 17 -7.852 -7.491 2.530 111 HA ASN 17 HA ASN 17 -7.871 -10.348 3.253 112 HB2 ASN 17 HB3 ASN 17 -8.181 -8.946 0.579 113 HB3 ASN 17 HB2 ASN 17 -8.390 -10.677 0.846 114 HD21 ASN 17 HD21 ASN 17 -10.136 -7.834 0.618 115 HD22 ASN 17 HD22 ASN 17 -11.501 -8.280 1.526 116 H PHE 18 H PHE 18 -5.518 -8.063 2.482 117 HA PHE 18 HA PHE 18 -3.747 -10.171 1.306 118 HB2 PHE 18 HB3 PHE 18 -4.063 -8.054 -0.031 119 HB3 PHE 18 HB2 PHE 18 -3.305 -7.173 1.295 120 HD1 PHE 18 HD2 PHE 18 -2.767 -9.773 -1.291 121 HD2 PHE 18 HD1 PHE 18 -0.942 -7.281 1.694 122 HE1 PHE 18 HE2 PHE 18 -0.525 -10.371 -2.165 123 HE2 PHE 18 HE1 PHE 18 1.298 -7.876 0.819 124 HZ PHE 18 HZ PHE 18 1.510 -9.426 -1.107 125 H ASP 19 H ASP 19 -2.072 -10.889 2.565 126 HA ASP 19 HA ASP 19 -1.787 -9.839 5.270 127 HB2 ASP 19 HB3 ASP 19 -0.073 -11.834 3.749 128 HB3 ASP 19 HB2 ASP 19 -0.013 -11.538 5.488 129 H CYS 20 H CYS 20 -1.196 -7.622 4.758 130 HA CYS 20 HA CYS 20 1.112 -6.959 3.181 131 HB2 CYS 20 HB3 CYS 20 -0.028 -5.357 5.488 132 HB3 CYS 20 HB2 CYS 20 0.879 -4.746 4.103 133 H ARG 21 H ARG 21 0.623 -7.768 6.568 134 HA ARG 21 HA ARG 21 3.154 -7.000 7.604 135 HB2 ARG 21 HB3 ARG 21 1.037 -7.901 8.807 136 HB3 ARG 21 HB2 ARG 21 1.688 -9.499 8.447 137 HG2 ARG 21 HG3 ARG 21 3.361 -7.388 9.811 138 HG3 ARG 21 HG2 ARG 21 2.305 -8.460 10.726 139 HD2 ARG 21 HD3 ARG 21 3.480 -10.388 9.481 140 HD3 ARG 21 HD2 ARG 21 4.691 -9.190 9.028 141 HE ARG 21 HE ARG 21 4.270 -10.279 11.715 142 HH11 ARG 21 HH21 ARG 21 5.552 -7.782 9.712 143 HH12 ARG 21 HH22 ARG 21 6.712 -7.256 10.886 144 HH21 ARG 21 HH11 ARG 21 5.773 -9.607 13.256 145 HH22 ARG 21 HH12 ARG 21 6.838 -8.288 12.892 146 H ARG 22 H ARG 22 2.087 -10.035 6.072 147 HA ARG 22 HA ARG 22 4.630 -11.356 6.336 148 HB2 ARG 22 HB3 ARG 22 2.960 -12.893 5.899 149 HB3 ARG 22 HB2 ARG 22 2.114 -11.812 4.791 150 HG2 ARG 22 HG3 ARG 22 3.673 -12.219 3.040 151 HG3 ARG 22 HG2 ARG 22 4.815 -12.990 4.137 152 HD2 ARG 22 HD3 ARG 22 3.234 -14.840 4.496 153 HD3 ARG 22 HD2 ARG 22 2.070 -14.064 3.423 154 HE ARG 22 HE ARG 22 4.422 -15.568 2.595 155 HH11 ARG 22 HH21 ARG 22 2.196 -13.039 1.834 156 HH12 ARG 22 HH22 ARG 22 2.469 -13.139 0.126 157 HH21 ARG 22 HH11 ARG 22 4.782 -15.706 0.371 158 HH22 ARG 22 HH12 ARG 22 3.929 -14.643 -0.700 159 H SER 23 H SER 23 3.079 -9.598 3.661 160 HA SER 23 HA SER 23 5.297 -9.871 1.863 161 HB2 SER 23 HB3 SER 23 4.182 -8.152 0.553 162 HB3 SER 23 HB2 SER 23 2.965 -9.250 1.195 163 HG SER 23 HG SER 23 2.699 -6.831 1.424 164 H LEU 24 H LEU 24 4.471 -7.526 4.381 165 HA LEU 24 HA LEU 24 6.453 -5.571 3.698 166 HB2 LEU 24 HB3 LEU 24 4.610 -5.079 5.251 167 HB3 LEU 24 HB2 LEU 24 5.265 -6.235 6.409 168 HG LEU 24 HG LEU 24 7.425 -4.869 6.352 169 HD11 LEU 24 HD11 LEU 24 6.804 -2.386 5.736 170 HD12 LEU 24 HD12 LEU 24 5.598 -3.153 4.704 171 HD13 LEU 24 HD13 LEU 24 7.310 -3.508 4.472 172 HD21 LEU 24 HD21 LEU 24 4.807 -4.035 7.520 173 HD22 LEU 24 HD22 LEU 24 6.155 -2.906 7.653 174 HD23 LEU 24 HD23 LEU 24 6.293 -4.526 8.331 175 H ARG 25 H ARG 25 6.541 -8.246 6.091 176 HA ARG 25 HA ARG 25 9.283 -7.784 6.832 177 HB2 ARG 25 HB3 ARG 25 9.191 -9.993 7.868 178 HB3 ARG 25 HB2 ARG 25 7.684 -9.135 8.196 179 HG2 ARG 25 HG3 ARG 25 6.681 -10.302 6.205 180 HG3 ARG 25 HG2 ARG 25 8.145 -11.280 6.110 181 HD2 ARG 25 HD3 ARG 25 7.758 -12.013 8.464 182 HD3 ARG 25 HD2 ARG 25 6.245 -11.110 8.466 183 HE ARG 25 HE ARG 25 6.575 -13.163 6.356 184 HH11 ARG 25 HH21 ARG 25 5.276 -12.127 9.382 185 HH12 ARG 25 HH22 ARG 25 4.013 -13.312 9.398 186 HH21 ARG 25 HH11 ARG 25 4.930 -14.726 6.367 187 HH22 ARG 25 HH12 ARG 25 3.819 -14.782 7.694 188 H ASN 26 H ASN 26 7.760 -9.388 4.166 189 HA ASN 26 HA ASN 26 10.095 -10.945 3.381 190 HB2 ASN 26 HB3 ASN 26 7.553 -10.166 1.930 191 HB3 ASN 26 HB2 ASN 26 8.781 -11.231 1.245 192 HD21 ASN 26 HD21 ASN 26 6.026 -12.040 1.895 193 HD22 ASN 26 HD22 ASN 26 6.139 -13.239 3.091 194 H GLY 27 H GLY 27 9.507 -7.699 3.406 195 HA2 GLY 27 HA3 GLY 27 10.841 -5.969 2.499 196 HA3 GLY 27 HA2 GLY 27 11.699 -7.178 1.543 197 H ASP 28 H ASP 28 8.241 -7.203 1.413 198 HA ASP 28 HA ASP 28 8.136 -6.929 -1.406 199 HB2 ASP 28 HB3 ASP 28 6.313 -7.850 0.053 200 HB3 ASP 28 HB2 ASP 28 5.944 -6.200 0.556 201 H CYS 29 H CYS 29 7.819 -4.494 1.164 202 HA CYS 29 HA CYS 29 7.155 -2.305 -0.576 203 HB2 CYS 29 HB3 CYS 29 8.701 -2.179 2.034 204 HB3 CYS 29 HB2 CYS 29 7.782 -0.874 1.287 205 H ASP 30 H ASP 30 10.069 -4.031 0.087 206 HA ASP 30 HA ASP 30 11.771 -1.897 -1.066 207 HB2 ASP 30 HB3 ASP 30 12.416 -4.590 0.160 208 HB3 ASP 30 HB2 ASP 30 13.629 -3.490 -0.500 209 H ASN 31 H ASN 31 9.861 -4.300 -2.279 210 HA ASN 31 HA ASN 31 11.780 -5.081 -4.410 211 HB2 ASN 31 HB3 ASN 31 10.301 -6.773 -3.184 212 HB3 ASN 31 HB2 ASN 31 8.943 -6.053 -4.043 213 HD21 ASN 31 HD21 ASN 31 9.333 -8.662 -4.652 214 HD22 ASN 31 HD22 ASN 31 10.080 -8.852 -6.164 215 H ASP 32 H ASP 32 11.815 -3.682 -6.103 216 HA ASP 32 HA ASP 32 9.874 -1.700 -6.666 217 HB2 ASP 32 HB3 ASP 32 11.798 -3.088 -8.554 218 HB3 ASP 32 HB2 ASP 32 10.917 -1.609 -8.929 219 H ASP 33 H ASP 33 10.112 -5.051 -7.691 220 HA ASP 33 HA ASP 33 8.073 -4.959 -9.703 221 HB2 ASP 33 HB3 ASP 33 9.719 -6.814 -9.451 222 HB3 ASP 33 HB2 ASP 33 8.888 -7.311 -7.976 223 H LYS 34 H LYS 34 7.938 -5.093 -6.219 224 HA LYS 34 HA LYS 34 5.007 -5.643 -6.391 225 HB2 LYS 34 HB3 LYS 34 6.733 -5.763 -3.915 226 HB3 LYS 34 HB2 LYS 34 5.117 -6.437 -4.145 227 HG2 LYS 34 HG3 LYS 34 6.137 -7.862 -6.012 228 HG3 LYS 34 HG2 LYS 34 7.709 -7.365 -5.384 229 HD2 LYS 34 HD3 LYS 34 7.048 -8.228 -3.138 230 HD3 LYS 34 HD2 LYS 34 5.542 -8.820 -3.840 231 HE2 LYS 34 HE3 LYS 34 6.563 -10.572 -4.877 232 HE3 LYS 34 HE2 LYS 34 7.994 -9.623 -5.284 233 HZ1 LYS 34 HZ1 LYS 34 7.330 -10.835 -2.661 234 HZ2 LYS 34 HZ2 LYS 34 8.608 -9.740 -2.897 235 HZ3 LYS 34 HZ3 LYS 34 8.618 -11.245 -3.686 236 H LEU 35 H LEU 35 7.167 -3.124 -6.084 237 HA LEU 35 HA LEU 35 6.173 -1.541 -3.985 238 HB2 LEU 35 HB3 LEU 35 7.434 -0.949 -6.628 239 HB3 LEU 35 HB2 LEU 35 6.693 0.390 -5.751 240 HG LEU 35 HG LEU 35 8.777 -1.499 -4.616 241 HD11 LEU 35 HD11 LEU 35 10.381 -0.011 -5.243 242 HD12 LEU 35 HD12 LEU 35 9.359 1.379 -4.885 243 HD13 LEU 35 HD13 LEU 35 9.189 0.532 -6.421 244 HD21 LEU 35 HD21 LEU 35 8.667 0.772 -3.050 245 HD22 LEU 35 HD22 LEU 35 7.879 -0.758 -2.666 246 HD23 LEU 35 HD23 LEU 35 6.972 0.523 -3.471 247 H LEU 36 H LEU 36 4.962 -1.785 -7.335 248 HA LEU 36 HA LEU 36 2.792 0.062 -6.937 249 HB2 LEU 36 HB3 LEU 36 3.626 -0.650 -9.182 250 HB3 LEU 36 HB2 LEU 36 2.958 -2.256 -8.889 251 HG LEU 36 HG LEU 36 1.078 -0.018 -8.433 252 HD11 LEU 36 HD11 LEU 36 2.193 -0.671 -11.174 253 HD12 LEU 36 HD12 LEU 36 2.124 0.908 -10.391 254 HD13 LEU 36 HD13 LEU 36 0.639 0.127 -10.932 255 HD21 LEU 36 HD21 LEU 36 0.347 -2.336 -8.294 256 HD22 LEU 36 HD22 LEU 36 0.991 -2.671 -9.900 257 HD23 LEU 36 HD23 LEU 36 -0.395 -1.600 -9.715 258 H GLU 37 H GLU 37 3.154 -3.431 -6.522 259 HA GLU 37 HA GLU 37 0.420 -4.067 -6.056 260 HB2 GLU 37 HB3 GLU 37 2.931 -5.315 -4.891 261 HB3 GLU 37 HB2 GLU 37 1.326 -6.047 -4.842 262 HG2 GLU 37 HG3 GLU 37 1.262 -5.942 -7.345 263 HG3 GLU 37 HG2 GLU 37 2.927 -5.363 -7.322 264 H MET 38 H MET 38 2.970 -2.927 -3.857 265 HA MET 38 HA MET 38 1.305 -3.096 -1.489 266 HB2 MET 38 HB3 MET 38 3.816 -1.505 -2.072 267 HB3 MET 38 HB2 MET 38 3.071 -1.655 -0.482 268 HG2 MET 38 HG3 MET 38 3.924 -4.034 -2.142 269 HG3 MET 38 HG2 MET 38 4.961 -3.291 -0.924 270 HE1 MET 38 HE1 MET 38 2.966 -6.414 -1.238 271 HE2 MET 38 HE2 MET 38 1.991 -5.125 -1.938 272 HE3 MET 38 HE3 MET 38 1.401 -6.003 -0.529 273 H GLY 39 H GLY 39 2.246 -0.443 -3.672 274 HA2 GLY 39 HA3 GLY 39 0.875 1.656 -2.352 275 HA3 GLY 39 HA2 GLY 39 1.158 1.601 -4.094 276 H TYR 40 H TYR 40 -0.244 -0.992 -4.292 277 HA TYR 40 HA TYR 40 -2.992 0.092 -4.439 278 HB2 TYR 40 HB3 TYR 40 -2.152 -0.938 -6.458 279 HB3 TYR 40 HB2 TYR 40 -1.677 -2.388 -5.577 280 HD1 TYR 40 HD1 TYR 40 -3.376 -3.931 -4.677 281 HD2 TYR 40 HD2 TYR 40 -4.460 -0.532 -7.062 282 HE1 TYR 40 HE1 TYR 40 -5.627 -4.901 -5.034 283 HE2 TYR 40 HE2 TYR 40 -6.713 -1.503 -7.422 284 HH TYR 40 HH TYR 40 -8.156 -3.445 -5.785 285 H TYR 41 H TYR 41 -1.385 -2.909 -3.315 286 HA TYR 41 HA TYR 41 -3.762 -3.750 -1.871 287 HB2 TYR 41 HB3 TYR 41 -0.940 -4.814 -2.013 288 HB3 TYR 41 HB2 TYR 41 -2.176 -5.542 -0.990 289 HD1 TYR 41 HD1 TYR 41 -4.458 -6.102 -2.165 290 HD2 TYR 41 HD2 TYR 41 -0.758 -5.493 -4.255 291 HE1 TYR 41 HE1 TYR 41 -5.357 -7.343 -4.118 292 HE2 TYR 41 HE2 TYR 41 -1.655 -6.729 -6.206 293 HH TYR 41 HH TYR 41 -4.720 -7.250 -6.799 294 H CYS 42 H CYS 42 -0.516 -2.577 -0.834 295 HA CYS 42 HA CYS 42 -1.840 -1.749 1.700 296 HB2 CYS 42 HB3 CYS 42 0.912 -2.945 1.758 297 HB3 CYS 42 HB2 CYS 42 -0.255 -2.766 3.071 298 HA PRO 43 HA PRO 43 0.800 1.637 -0.119 299 HB2 PRO 43 HB3 PRO 43 -1.038 3.617 0.371 300 HB3 PRO 43 HB2 PRO 43 -1.004 2.668 -1.126 301 HG2 PRO 43 HG3 PRO 43 -2.736 2.351 1.276 302 HG3 PRO 43 HG2 PRO 43 -3.153 2.214 -0.442 303 HD2 PRO 43 HD3 PRO 43 -2.761 0.032 1.125 304 HD3 PRO 43 HD2 PRO 43 -2.343 0.039 -0.604 305 H VAL 44 H VAL 44 -1.173 1.460 2.798 306 HA VAL 44 HA VAL 44 0.385 3.477 4.222 307 HB VAL 44 HB VAL 44 -1.628 1.436 5.205 308 HG11 VAL 44 HG11 VAL 44 -1.703 3.446 7.006 309 HG12 VAL 44 HG12 VAL 44 -0.003 3.536 6.544 310 HG13 VAL 44 HG13 VAL 44 -0.661 2.037 7.199 311 HG21 VAL 44 HG21 VAL 44 -2.058 3.561 3.536 312 HG22 VAL 44 HG22 VAL 44 -2.273 4.319 5.113 313 HG23 VAL 44 HG23 VAL 44 -3.261 2.930 4.660 314 H THR 45 H THR 45 0.172 -0.070 4.217 315 HA THR 45 HA THR 45 1.961 -0.605 6.341 316 HB THR 45 HB THR 45 1.660 -2.197 3.786 317 HG1 THR 45 HG1 THR 45 0.100 -1.938 6.103 318 HG21 THR 45 HG21 THR 45 2.023 -3.980 5.806 319 HG22 THR 45 HG22 THR 45 2.997 -2.632 6.385 320 HG23 THR 45 HG23 THR 45 3.331 -3.344 4.808 321 H CYS 46 H CYS 46 2.649 0.025 2.894 322 HA CYS 46 HA CYS 46 5.525 -0.368 3.376 323 HB2 CYS 46 HB3 CYS 46 3.904 0.369 0.943 324 HB3 CYS 46 HB2 CYS 46 5.669 0.390 0.936 325 H GLY 47 H GLY 47 3.493 2.151 4.049 326 HA2 GLY 47 HA3 GLY 47 4.067 4.324 4.771 327 HA3 GLY 47 HA2 GLY 47 5.739 3.977 4.341 328 H PHE 48 H PHE 48 2.974 3.739 2.124 329 HA PHE 48 HA PHE 48 4.266 5.884 0.488 330 HB2 PHE 48 HB3 PHE 48 2.211 3.807 -0.331 331 HB3 PHE 48 HB2 PHE 48 3.013 4.951 -1.403 332 HD1 PHE 48 HD2 PHE 48 5.711 4.602 0.375 333 HD2 PHE 48 HD1 PHE 48 3.086 1.964 -1.777 334 HE1 PHE 48 HE2 PHE 48 7.573 3.010 0.062 335 HE2 PHE 48 HE1 PHE 48 4.962 0.376 -2.090 336 HZ PHE 48 HZ PHE 48 7.200 0.896 -1.167 337 H CYS 49 H CYS 49 1.627 5.145 2.479 338 HA CYS 49 HA CYS 49 0.457 7.783 1.898 339 HB2 CYS 49 HB3 CYS 49 -0.628 5.836 0.471 340 HB3 CYS 49 HB2 CYS 49 -1.461 5.487 1.984 341 H GLU 50 H GLU 50 -1.482 8.076 3.542 342 HA GLU 50 HA GLU 50 -0.509 7.000 6.152 343 HB2 GLU 50 HB3 GLU 50 -1.909 9.532 5.332 344 HB3 GLU 50 HB2 GLU 50 -2.057 8.954 6.991 345 HG2 GLU 50 HG3 GLU 50 0.615 9.285 5.612 346 HG3 GLU 50 HG2 GLU 50 -0.134 10.573 6.558 347 HA PRO 51 HA PRO 51 -4.239 4.687 6.641 348 HB2 PRO 51 HB3 PRO 51 -4.560 4.781 9.358 349 HB3 PRO 51 HB2 PRO 51 -3.337 3.779 8.553 350 HG2 PRO 51 HG3 PRO 51 -3.037 6.414 9.899 351 HG3 PRO 51 HG2 PRO 51 -1.953 5.012 9.904 352 HD2 PRO 51 HD3 PRO 51 -1.517 7.222 8.348 353 HD3 PRO 51 HD2 PRO 51 -0.975 5.592 7.888 Start of MODEL 7 1 HA ASN 1 HA ASN 1 -19.360 21.386 -12.601 2 HB2 ASN 1 HB3 ASN 1 -17.192 19.819 -14.034 3 HB3 ASN 1 HB2 ASN 1 -18.916 19.751 -14.404 4 HD21 ASN 1 HD21 ASN 1 -16.634 20.751 -16.121 5 HD22 ASN 1 HD22 ASN 1 -17.055 22.347 -16.526 6 H ASP 2 H ASP 2 -20.532 19.975 -11.423 7 HA ASP 2 HA ASP 2 -21.049 18.216 -9.963 8 HB2 ASP 2 HB3 ASP 2 -18.851 16.846 -11.537 9 HB3 ASP 2 HB2 ASP 2 -20.041 16.039 -10.519 10 H ILE 3 H ILE 3 -20.516 18.140 -7.856 11 HA ILE 3 HA ILE 3 -17.801 18.790 -6.983 12 HB ILE 3 HB ILE 3 -20.185 17.870 -5.347 13 HG12 ILE 3 HG13 ILE 3 -20.869 19.827 -6.563 14 HG13 ILE 3 HG12 ILE 3 -20.439 20.372 -4.941 15 HG21 ILE 3 HG21 ILE 3 -17.441 18.646 -4.733 16 HG22 ILE 3 HG22 ILE 3 -18.655 17.914 -3.685 17 HG23 ILE 3 HG23 ILE 3 -18.611 19.666 -3.898 18 HD11 ILE 3 HD11 ILE 3 -18.874 20.682 -7.502 19 HD12 ILE 3 HD12 ILE 3 -18.082 20.798 -5.931 20 HD13 ILE 3 HD13 ILE 3 -19.367 21.928 -6.356 21 H ARG 4 H ARG 4 -19.259 16.018 -8.085 22 HA ARG 4 HA ARG 4 -18.476 13.974 -6.301 23 HB2 ARG 4 HB3 ARG 4 -18.467 13.952 -9.336 24 HB3 ARG 4 HB2 ARG 4 -18.372 12.515 -8.316 25 HG2 ARG 4 HG3 ARG 4 -20.543 13.128 -7.282 26 HG3 ARG 4 HG2 ARG 4 -20.653 14.511 -8.371 27 HD2 ARG 4 HD3 ARG 4 -20.447 12.879 -10.300 28 HD3 ARG 4 HD2 ARG 4 -20.622 11.578 -9.122 29 HE ARG 4 HE ARG 4 -22.920 12.118 -8.938 30 HH11 ARG 4 HH21 ARG 4 -21.100 14.572 -10.543 31 HH12 ARG 4 HH22 ARG 4 -22.495 15.483 -11.016 32 HH21 ARG 4 HH11 ARG 4 -24.750 13.290 -9.550 33 HH22 ARG 4 HH12 ARG 4 -24.563 14.761 -10.448 34 H THR 5 H THR 5 -16.572 15.916 -8.496 35 HA THR 5 HA THR 5 -14.222 14.235 -8.415 36 HB THR 5 HB THR 5 -14.950 16.243 -10.025 37 HG1 THR 5 HG1 THR 5 -12.491 15.190 -9.272 38 HG21 THR 5 HG21 THR 5 -14.710 17.819 -8.008 39 HG22 THR 5 HG22 THR 5 -13.920 18.312 -9.504 40 HG23 THR 5 HG23 THR 5 -12.970 17.604 -8.198 41 H ALA 6 H ALA 6 -15.691 15.766 -5.941 42 HA ALA 6 HA ALA 6 -13.466 17.161 -4.718 43 HB1 ALA 6 HB1 ALA 6 -16.123 16.148 -3.708 44 HB2 ALA 6 HB2 ALA 6 -15.584 17.815 -3.906 45 HB3 ALA 6 HB3 ALA 6 -14.930 16.828 -2.602 46 H ALA 7 H ALA 7 -14.009 13.910 -5.288 47 HA ALA 7 HA ALA 7 -12.982 12.818 -2.804 48 HB1 ALA 7 HB1 ALA 7 -12.756 10.719 -4.115 49 HB2 ALA 7 HB2 ALA 7 -13.137 11.615 -5.584 50 HB3 ALA 7 HB3 ALA 7 -14.350 11.446 -4.315 51 H ASP 8 H ASP 8 -10.881 12.769 -2.175 52 HA ASP 8 HA ASP 8 -8.793 13.252 -4.266 53 HB2 ASP 8 HB3 ASP 8 -8.794 13.977 -1.321 54 HB3 ASP 8 HB2 ASP 8 -7.431 14.216 -2.415 55 H MET 9 H MET 9 -10.088 10.885 -2.343 56 HA MET 9 HA MET 9 -9.262 8.833 -1.542 57 HB2 MET 9 HB3 MET 9 -7.437 9.523 -3.836 58 HB3 MET 9 HB2 MET 9 -7.132 8.080 -2.866 59 HG2 MET 9 HG3 MET 9 -9.946 8.337 -3.622 60 HG3 MET 9 HG2 MET 9 -8.879 8.249 -5.022 61 HE1 MET 9 HE1 MET 9 -10.073 6.686 -1.743 62 HE2 MET 9 HE2 MET 9 -8.345 6.808 -1.414 63 HE3 MET 9 HE3 MET 9 -9.097 5.221 -1.567 64 H GLU 10 H GLU 10 -8.378 11.333 -0.255 65 HA GLU 10 HA GLU 10 -5.575 11.179 0.373 66 HB2 GLU 10 HB3 GLU 10 -7.059 13.199 0.690 67 HB3 GLU 10 HB2 GLU 10 -7.768 12.380 2.080 68 HG2 GLU 10 HG3 GLU 10 -5.490 12.195 3.086 69 HG3 GLU 10 HG2 GLU 10 -4.849 13.120 1.729 70 H HIS 11 H HIS 11 -8.218 9.235 1.328 71 HA HIS 11 HA HIS 11 -6.831 8.426 3.833 72 HB2 HIS 11 HB3 HIS 11 -9.549 7.585 2.786 73 HB3 HIS 11 HB2 HIS 11 -8.884 7.217 4.374 74 HD1 HIS 11 HD1 HIS 11 -10.657 9.843 2.471 75 HD2 HIS 11 HD2 HIS 11 -8.619 9.563 6.101 76 HE1 HIS 11 HE1 HIS 11 -11.307 11.889 3.820 77 HE2 HIS 11 HE2 HIS 11 -10.065 11.732 6.027 78 H CYS 12 H CYS 12 -5.471 6.734 3.673 79 HA CYS 12 HA CYS 12 -6.006 4.671 1.571 80 HB2 CYS 12 HB3 CYS 12 -3.351 5.451 2.808 81 HB3 CYS 12 HB2 CYS 12 -3.590 4.289 1.507 82 H ALA 13 H ALA 13 -5.943 2.492 2.259 83 HA ALA 13 HA ALA 13 -5.297 2.013 5.128 84 HB1 ALA 13 HB1 ALA 13 -7.826 1.145 3.704 85 HB2 ALA 13 HB2 ALA 13 -7.711 2.261 5.065 86 HB3 ALA 13 HB3 ALA 13 -7.326 0.553 5.289 87 H ASP 14 H ASP 14 -4.673 -0.182 5.589 88 HA ASP 14 HA ASP 14 -3.312 -1.499 3.396 89 HB2 ASP 14 HB3 ASP 14 -3.844 -2.323 6.262 90 HB3 ASP 14 HB2 ASP 14 -2.872 -3.278 5.141 91 H GLU 15 H GLU 15 -3.998 -3.302 2.218 92 HA GLU 15 HA GLU 15 -6.784 -3.836 2.037 93 HB2 GLU 15 HB3 GLU 15 -4.402 -4.766 0.743 94 HB3 GLU 15 HB2 GLU 15 -5.354 -6.170 1.216 95 HG2 GLU 15 HG3 GLU 15 -7.234 -4.349 0.199 96 HG3 GLU 15 HG2 GLU 15 -5.861 -4.251 -0.903 97 H LYS 16 H LYS 16 -8.085 -5.367 3.010 98 HA LYS 16 HA LYS 16 -7.027 -6.573 5.475 99 HB2 LYS 16 HB3 LYS 16 -9.339 -7.103 5.974 100 HB3 LYS 16 HB2 LYS 16 -9.264 -5.447 5.374 101 HG2 LYS 16 HG3 LYS 16 -9.880 -6.262 3.111 102 HG3 LYS 16 HG2 LYS 16 -10.040 -7.895 3.762 103 HD2 LYS 16 HD3 LYS 16 -11.676 -6.896 5.458 104 HD3 LYS 16 HD2 LYS 16 -11.684 -5.453 4.445 105 HE2 LYS 16 HE3 LYS 16 -12.081 -7.383 2.564 106 HE3 LYS 16 HE2 LYS 16 -12.887 -8.110 3.953 107 HZ1 LYS 16 HZ1 LYS 16 -14.593 -6.808 3.422 108 HZ2 LYS 16 HZ2 LYS 16 -13.662 -5.850 2.372 109 HZ3 LYS 16 HZ3 LYS 16 -13.680 -5.516 4.037 110 H ASN 17 H ASN 17 -7.869 -7.575 2.231 111 HA ASN 17 HA ASN 17 -7.878 -10.426 2.999 112 HB2 ASN 17 HB3 ASN 17 -8.052 -9.135 0.259 113 HB3 ASN 17 HB2 ASN 17 -8.321 -10.841 0.620 114 HD21 ASN 17 HD21 ASN 17 -10.003 -8.047 0.046 115 HD22 ASN 17 HD22 ASN 17 -11.411 -8.371 0.935 116 H PHE 18 H PHE 18 -5.589 -8.061 2.082 117 HA PHE 18 HA PHE 18 -3.687 -10.177 1.164 118 HB2 PHE 18 HB3 PHE 18 -4.029 -8.185 -0.339 119 HB3 PHE 18 HB2 PHE 18 -3.389 -7.165 0.949 120 HD1 PHE 18 HD1 PHE 18 -1.028 -7.346 1.653 121 HD2 PHE 18 HD2 PHE 18 -2.582 -9.658 -1.617 122 HE1 PHE 18 HE1 PHE 18 1.280 -7.848 0.912 123 HE2 PHE 18 HE2 PHE 18 -0.269 -10.163 -2.358 124 HZ PHE 18 HZ PHE 18 1.665 -9.259 -1.092 125 H ASP 19 H ASP 19 -2.065 -10.746 2.552 126 HA ASP 19 HA ASP 19 -1.943 -9.431 5.156 127 HB2 ASP 19 HB3 ASP 19 -1.635 -11.910 4.813 128 HB3 ASP 19 HB2 ASP 19 -0.087 -11.552 4.051 129 H CYS 20 H CYS 20 -1.006 -7.482 5.180 130 HA CYS 20 HA CYS 20 1.191 -6.786 3.382 131 HB2 CYS 20 HB3 CYS 20 0.217 -5.183 5.752 132 HB3 CYS 20 HB2 CYS 20 0.977 -4.590 4.273 133 H ARG 21 H ARG 21 0.798 -7.628 6.796 134 HA ARG 21 HA ARG 21 3.403 -6.902 7.686 135 HB2 ARG 21 HB3 ARG 21 1.357 -7.745 9.048 136 HB3 ARG 21 HB2 ARG 21 1.946 -9.360 8.662 137 HG2 ARG 21 HG3 ARG 21 3.810 -7.307 9.832 138 HG3 ARG 21 HG2 ARG 21 2.738 -8.229 10.877 139 HD2 ARG 21 HD3 ARG 21 3.667 -10.333 9.799 140 HD3 ARG 21 HD2 ARG 21 4.883 -9.306 9.035 141 HE ARG 21 HE ARG 21 4.863 -10.111 11.819 142 HH11 ARG 21 HH21 ARG 21 5.642 -7.605 9.581 143 HH12 ARG 21 HH22 ARG 21 6.901 -6.937 10.564 144 HH21 ARG 21 HH11 ARG 21 6.497 -9.241 13.122 145 HH22 ARG 21 HH12 ARG 21 7.387 -7.863 12.566 146 H ARG 22 H ARG 22 2.170 -9.914 6.246 147 HA ARG 22 HA ARG 22 4.670 -11.313 6.360 148 HB2 ARG 22 HB3 ARG 22 2.933 -12.771 5.952 149 HB3 ARG 22 HB2 ARG 22 2.088 -11.637 4.896 150 HG2 ARG 22 HG3 ARG 22 3.580 -12.055 3.087 151 HG3 ARG 22 HG2 ARG 22 4.717 -12.908 4.131 152 HD2 ARG 22 HD3 ARG 22 3.000 -14.658 4.526 153 HD3 ARG 22 HD2 ARG 22 1.913 -13.816 3.423 154 HE ARG 22 HE ARG 22 4.510 -14.491 2.247 155 HH11 ARG 22 HH21 ARG 22 1.265 -15.427 2.939 156 HH12 ARG 22 HH22 ARG 22 1.181 -16.583 1.651 157 HH21 ARG 22 HH11 ARG 22 4.423 -16.006 0.564 158 HH22 ARG 22 HH12 ARG 22 2.968 -16.911 0.309 159 H SER 23 H SER 23 3.094 -9.445 3.759 160 HA SER 23 HA SER 23 5.276 -9.775 1.912 161 HB2 SER 23 HB3 SER 23 4.174 -8.049 0.610 162 HB3 SER 23 HB2 SER 23 2.949 -9.117 1.275 163 HG SER 23 HG SER 23 3.805 -6.684 2.465 164 H LEU 24 H LEU 24 4.536 -7.401 4.429 165 HA LEU 24 HA LEU 24 6.548 -5.492 3.708 166 HB2 LEU 24 HB3 LEU 24 4.763 -4.953 5.309 167 HB3 LEU 24 HB2 LEU 24 5.407 -6.140 6.440 168 HG LEU 24 HG LEU 24 7.611 -4.843 6.334 169 HD11 LEU 24 HD11 LEU 24 7.440 -3.479 4.446 170 HD12 LEU 24 HD12 LEU 24 7.103 -2.351 5.759 171 HD13 LEU 24 HD13 LEU 24 5.776 -3.015 4.806 172 HD21 LEU 24 HD21 LEU 24 6.786 -4.250 8.342 173 HD22 LEU 24 HD22 LEU 24 5.133 -4.254 7.732 174 HD23 LEU 24 HD23 LEU 24 6.132 -2.810 7.565 175 H ARG 25 H ARG 25 6.621 -8.156 6.108 176 HA ARG 25 HA ARG 25 9.381 -7.745 6.791 177 HB2 ARG 25 HB3 ARG 25 9.263 -9.922 7.883 178 HB3 ARG 25 HB2 ARG 25 7.770 -9.041 8.206 179 HG2 ARG 25 HG3 ARG 25 6.726 -10.248 6.262 180 HG3 ARG 25 HG2 ARG 25 8.184 -11.230 6.151 181 HD2 ARG 25 HD3 ARG 25 7.836 -11.937 8.521 182 HD3 ARG 25 HD2 ARG 25 6.325 -11.029 8.541 183 HE ARG 25 HE ARG 25 6.458 -12.949 6.352 184 HH11 ARG 25 HH21 ARG 25 5.768 -12.407 9.685 185 HH12 ARG 25 HH22 ARG 25 4.682 -13.748 9.815 186 HH21 ARG 25 HH11 ARG 25 5.040 -14.696 6.496 187 HH22 ARG 25 HH12 ARG 25 4.267 -15.047 8.006 188 H ASN 26 H ASN 26 7.792 -9.345 4.168 189 HA ASN 26 HA ASN 26 10.082 -10.973 3.382 190 HB2 ASN 26 HB3 ASN 26 7.541 -10.152 1.949 191 HB3 ASN 26 HB2 ASN 26 8.730 -11.265 1.273 192 HD21 ASN 26 HD21 ASN 26 5.971 -11.985 1.945 193 HD22 ASN 26 HD22 ASN 26 6.048 -13.161 3.167 194 H GLY 27 H GLY 27 9.538 -7.704 3.344 195 HA2 GLY 27 HA3 GLY 27 10.892 -6.011 2.389 196 HA3 GLY 27 HA2 GLY 27 11.713 -7.249 1.439 197 H ASP 28 H ASP 28 8.251 -7.195 1.403 198 HA ASP 28 HA ASP 28 8.102 -6.961 -1.428 199 HB2 ASP 28 HB3 ASP 28 6.318 -7.905 0.071 200 HB3 ASP 28 HB2 ASP 28 5.926 -6.255 0.561 201 H CYS 29 H CYS 29 7.842 -4.513 1.147 202 HA CYS 29 HA CYS 29 7.114 -2.345 -0.613 203 HB2 CYS 29 HB3 CYS 29 8.679 -2.087 1.971 204 HB3 CYS 29 HB2 CYS 29 7.616 -0.888 1.228 205 H ASP 30 H ASP 30 10.061 -4.007 0.046 206 HA ASP 30 HA ASP 30 11.724 -1.831 -1.081 207 HB2 ASP 30 HB3 ASP 30 12.381 -4.526 0.133 208 HB3 ASP 30 HB2 ASP 30 13.600 -3.458 -0.566 209 H ASN 31 H ASN 31 9.839 -4.229 -2.330 210 HA ASN 31 HA ASN 31 11.762 -4.921 -4.489 211 HB2 ASN 31 HB3 ASN 31 10.400 -6.700 -3.283 212 HB3 ASN 31 HB2 ASN 31 8.977 -6.017 -4.070 213 HD21 ASN 31 HD21 ASN 31 9.421 -8.570 -4.781 214 HD22 ASN 31 HD22 ASN 31 10.136 -8.695 -6.317 215 H ASP 32 H ASP 32 11.730 -3.543 -6.169 216 HA ASP 32 HA ASP 32 9.740 -1.604 -6.683 217 HB2 ASP 32 HB3 ASP 32 11.710 -2.907 -8.584 218 HB3 ASP 32 HB2 ASP 32 10.775 -1.458 -8.955 219 H ASP 33 H ASP 33 10.040 -4.939 -7.746 220 HA ASP 33 HA ASP 33 7.952 -4.841 -9.722 221 HB2 ASP 33 HB3 ASP 33 9.686 -6.652 -9.538 222 HB3 ASP 33 HB2 ASP 33 8.846 -7.237 -8.100 223 H LYS 34 H LYS 34 7.928 -5.025 -6.246 224 HA LYS 34 HA LYS 34 5.011 -5.677 -6.329 225 HB2 LYS 34 HB3 LYS 34 6.812 -5.778 -3.905 226 HB3 LYS 34 HB2 LYS 34 5.210 -6.491 -4.097 227 HG2 LYS 34 HG3 LYS 34 6.189 -7.895 -5.978 228 HG3 LYS 34 HG2 LYS 34 7.775 -7.336 -5.449 229 HD2 LYS 34 HD3 LYS 34 7.287 -8.200 -3.164 230 HD3 LYS 34 HD2 LYS 34 5.760 -8.848 -3.765 231 HE2 LYS 34 HE3 LYS 34 7.850 -9.676 -5.537 232 HE3 LYS 34 HE2 LYS 34 8.337 -10.057 -3.884 233 HZ1 LYS 34 HZ1 LYS 34 6.497 -11.408 -5.471 234 HZ2 LYS 34 HZ2 LYS 34 5.610 -10.666 -4.226 235 HZ3 LYS 34 HZ3 LYS 34 6.892 -11.717 -3.851 236 H LEU 35 H LEU 35 7.066 -3.091 -6.122 237 HA LEU 35 HA LEU 35 6.085 -1.559 -3.956 238 HB2 LEU 35 HB3 LEU 35 7.296 -0.899 -6.616 239 HB3 LEU 35 HB2 LEU 35 6.568 0.404 -5.680 240 HG LEU 35 HG LEU 35 8.709 -1.490 -4.659 241 HD11 LEU 35 HD11 LEU 35 10.285 0.102 -5.167 242 HD12 LEU 35 HD12 LEU 35 9.157 1.439 -4.941 243 HD13 LEU 35 HD13 LEU 35 9.126 0.505 -6.435 244 HD21 LEU 35 HD21 LEU 35 7.750 -0.826 -2.686 245 HD22 LEU 35 HD22 LEU 35 6.976 0.579 -3.422 246 HD23 LEU 35 HD23 LEU 35 8.683 0.641 -2.980 247 H LEU 36 H LEU 36 4.884 -1.822 -7.290 248 HA LEU 36 HA LEU 36 2.702 0.005 -6.928 249 HB2 LEU 36 HB3 LEU 36 3.550 -0.754 -9.153 250 HB3 LEU 36 HB2 LEU 36 2.872 -2.350 -8.834 251 HG LEU 36 HG LEU 36 1.002 -0.093 -8.429 252 HD11 LEU 36 HD11 LEU 36 2.084 -0.834 -11.162 253 HD12 LEU 36 HD12 LEU 36 2.101 0.760 -10.407 254 HD13 LEU 36 HD13 LEU 36 0.573 0.040 -10.911 255 HD21 LEU 36 HD21 LEU 36 0.638 -2.534 -10.155 256 HD22 LEU 36 HD22 LEU 36 -0.568 -1.658 -9.211 257 HD23 LEU 36 HD23 LEU 36 0.621 -2.674 -8.399 258 H GLU 37 H GLU 37 3.050 -3.484 -6.447 259 HA GLU 37 HA GLU 37 0.301 -4.069 -5.952 260 HB2 GLU 37 HB3 GLU 37 2.762 -5.358 -4.729 261 HB3 GLU 37 HB2 GLU 37 1.146 -6.065 -4.784 262 HG2 GLU 37 HG3 GLU 37 1.229 -5.948 -7.279 263 HG3 GLU 37 HG2 GLU 37 2.895 -5.374 -7.161 264 H MET 38 H MET 38 2.928 -3.015 -3.795 265 HA MET 38 HA MET 38 1.322 -3.135 -1.401 266 HB2 MET 38 HB3 MET 38 3.839 -1.606 -2.077 267 HB3 MET 38 HB2 MET 38 3.132 -1.676 -0.463 268 HG2 MET 38 HG3 MET 38 3.936 -4.101 -2.084 269 HG3 MET 38 HG2 MET 38 4.941 -3.380 -0.827 270 HE1 MET 38 HE1 MET 38 1.346 -6.061 -0.565 271 HE2 MET 38 HE2 MET 38 2.928 -6.463 -1.225 272 HE3 MET 38 HE3 MET 38 1.981 -5.168 -1.955 273 H GLY 39 H GLY 39 2.195 -0.471 -3.605 274 HA2 GLY 39 HA3 GLY 39 0.857 1.603 -2.199 275 HA3 GLY 39 HA2 GLY 39 1.137 1.598 -3.944 276 H TYR 40 H TYR 40 -0.311 -0.980 -4.217 277 HA TYR 40 HA TYR 40 -3.032 0.174 -4.323 278 HB2 TYR 40 HB3 TYR 40 -2.257 -0.847 -6.366 279 HB3 TYR 40 HB2 TYR 40 -1.793 -2.319 -5.515 280 HD1 TYR 40 HD2 TYR 40 -3.516 -3.813 -4.561 281 HD2 TYR 40 HD1 TYR 40 -4.557 -0.409 -6.956 282 HE1 TYR 40 HE2 TYR 40 -5.799 -4.728 -4.859 283 HE2 TYR 40 HE1 TYR 40 -6.845 -1.323 -7.260 284 HH TYR 40 HH TYR 40 -8.019 -3.977 -5.410 285 H TYR 41 H TYR 41 -1.440 -2.804 -3.153 286 HA TYR 41 HA TYR 41 -3.862 -3.619 -1.744 287 HB2 TYR 41 HB3 TYR 41 -1.069 -4.755 -1.910 288 HB3 TYR 41 HB2 TYR 41 -2.321 -5.462 -0.896 289 HD1 TYR 41 HD1 TYR 41 -4.567 -6.059 -2.021 290 HD2 TYR 41 HD2 TYR 41 -0.950 -5.308 -4.215 291 HE1 TYR 41 HE1 TYR 41 -5.501 -7.266 -3.972 292 HE2 TYR 41 HE2 TYR 41 -1.886 -6.510 -6.170 293 HH TYR 41 HH TYR 41 -3.760 -7.404 -7.056 294 H CYS 42 H CYS 42 -0.542 -2.703 -0.675 295 HA CYS 42 HA CYS 42 -1.816 -1.836 1.885 296 HB2 CYS 42 HB3 CYS 42 0.898 -3.141 1.713 297 HB3 CYS 42 HB2 CYS 42 -0.047 -2.787 3.160 298 HA PRO 43 HA PRO 43 0.825 1.546 0.009 299 HB2 PRO 43 HB3 PRO 43 -1.029 3.524 0.471 300 HB3 PRO 43 HB2 PRO 43 -0.964 2.570 -1.025 301 HG2 PRO 43 HG3 PRO 43 -2.728 2.235 1.355 302 HG3 PRO 43 HG2 PRO 43 -3.127 2.111 -0.368 303 HD2 PRO 43 HD3 PRO 43 -2.752 -0.084 1.167 304 HD3 PRO 43 HD2 PRO 43 -2.273 -0.051 -0.545 305 H VAL 44 H VAL 44 -1.167 1.389 2.921 306 HA VAL 44 HA VAL 44 0.353 3.438 4.332 307 HB VAL 44 HB VAL 44 -1.609 1.364 5.350 308 HG11 VAL 44 HG11 VAL 44 -0.587 3.902 6.652 309 HG12 VAL 44 HG12 VAL 44 -0.078 2.273 7.094 310 HG13 VAL 44 HG13 VAL 44 -1.751 2.773 7.340 311 HG21 VAL 44 HG21 VAL 44 -3.283 3.014 5.116 312 HG22 VAL 44 HG22 VAL 44 -2.351 3.148 3.627 313 HG23 VAL 44 HG23 VAL 44 -2.100 4.308 4.928 314 H THR 45 H THR 45 0.224 -0.125 4.398 315 HA THR 45 HA THR 45 2.054 -0.482 6.543 316 HB THR 45 HB THR 45 1.662 -2.300 4.161 317 HG1 THR 45 HG1 THR 45 -0.135 -2.882 5.080 318 HG21 THR 45 HG21 THR 45 3.565 -3.050 5.311 319 HG22 THR 45 HG22 THR 45 2.261 -4.003 6.017 320 HG23 THR 45 HG23 THR 45 2.900 -2.605 6.883 321 H CYS 46 H CYS 46 2.648 -0.015 3.068 322 HA CYS 46 HA CYS 46 5.523 -0.461 3.484 323 HB2 CYS 46 HB3 CYS 46 3.859 0.243 1.068 324 HB3 CYS 46 HB2 CYS 46 5.620 0.232 1.019 325 H GLY 47 H GLY 47 3.457 2.125 3.982 326 HA2 GLY 47 HA3 GLY 47 4.064 4.292 4.714 327 HA3 GLY 47 HA2 GLY 47 5.733 3.932 4.292 328 H PHE 48 H PHE 48 2.972 3.669 2.073 329 HA PHE 48 HA PHE 48 4.268 5.802 0.427 330 HB2 PHE 48 HB3 PHE 48 2.223 3.730 -0.422 331 HB3 PHE 48 HB2 PHE 48 3.085 4.847 -1.480 332 HD1 PHE 48 HD2 PHE 48 5.769 4.543 0.201 333 HD2 PHE 48 HD1 PHE 48 3.047 1.774 -1.639 334 HE1 PHE 48 HE2 PHE 48 7.606 2.909 -0.048 335 HE2 PHE 48 HE1 PHE 48 4.895 0.144 -1.895 336 HZ PHE 48 HZ PHE 48 7.172 0.709 -1.098 337 H CYS 49 H CYS 49 1.686 5.105 2.454 338 HA CYS 49 HA CYS 49 0.452 7.698 1.835 339 HB2 CYS 49 HB3 CYS 49 -0.628 5.766 0.413 340 HB3 CYS 49 HB2 CYS 49 -1.407 5.346 1.940 341 H GLU 50 H GLU 50 -1.519 7.944 3.455 342 HA GLU 50 HA GLU 50 -0.523 6.959 6.086 343 HB2 GLU 50 HB3 GLU 50 -2.600 9.038 6.086 344 HB3 GLU 50 HB2 GLU 50 -1.060 8.992 6.941 345 HG2 GLU 50 HG3 GLU 50 0.094 9.545 4.794 346 HG3 GLU 50 HG2 GLU 50 -1.487 9.729 4.034 347 HA PRO 51 HA PRO 51 -4.156 4.528 6.655 348 HB2 PRO 51 HB3 PRO 51 -4.608 4.865 9.352 349 HB3 PRO 51 HB2 PRO 51 -3.354 3.805 8.680 350 HG2 PRO 51 HG3 PRO 51 -3.113 6.505 9.877 351 HG3 PRO 51 HG2 PRO 51 -1.981 5.145 9.907 352 HD2 PRO 51 HD3 PRO 51 -1.692 7.355 8.278 353 HD3 PRO 51 HD2 PRO 51 -0.986 5.760 7.934 Start of MODEL 8 1 HA ASN 1 HA ASN 1 -27.245 11.372 -8.176 2 HB2 ASN 1 HB3 ASN 1 -28.547 10.548 -6.177 3 HB3 ASN 1 HB2 ASN 1 -27.512 11.554 -5.163 4 HD21 ASN 1 HD21 ASN 1 -29.675 11.811 -8.037 5 HD22 ASN 1 HD22 ASN 1 -30.192 13.392 -7.691 6 H ASP 2 H ASP 2 -25.520 12.062 -5.091 7 HA ASP 2 HA ASP 2 -24.741 14.697 -5.996 8 HB2 ASP 2 HB3 ASP 2 -23.370 14.772 -3.973 9 HB3 ASP 2 HB2 ASP 2 -24.945 14.077 -3.588 10 H ILE 3 H ILE 3 -22.519 15.394 -6.446 11 HA ILE 3 HA ILE 3 -21.088 13.437 -8.109 12 HB ILE 3 HB ILE 3 -20.303 16.281 -7.402 13 HG12 ILE 3 HG13 ILE 3 -22.480 16.325 -8.471 14 HG13 ILE 3 HG12 ILE 3 -21.275 16.812 -9.660 15 HG21 ILE 3 HG21 ILE 3 -19.407 15.540 -9.960 16 HG22 ILE 3 HG22 ILE 3 -19.081 14.143 -8.931 17 HG23 ILE 3 HG23 ILE 3 -18.423 15.725 -8.508 18 HD11 ILE 3 HD11 ILE 3 -22.541 15.256 -10.864 19 HD12 ILE 3 HD12 ILE 3 -22.788 14.223 -9.456 20 HD13 ILE 3 HD13 ILE 3 -21.217 14.261 -10.260 21 H ARG 4 H ARG 4 -21.162 14.138 -4.874 22 HA ARG 4 HA ARG 4 -18.316 14.034 -4.286 23 HB2 ARG 4 HB3 ARG 4 -20.742 13.605 -2.512 24 HB3 ARG 4 HB2 ARG 4 -19.083 13.794 -1.937 25 HG2 ARG 4 HG3 ARG 4 -18.974 16.021 -3.021 26 HG3 ARG 4 HG2 ARG 4 -20.651 15.840 -3.535 27 HD2 ARG 4 HD3 ARG 4 -21.289 15.565 -1.119 28 HD3 ARG 4 HD2 ARG 4 -19.625 15.962 -0.688 29 HE ARG 4 HE ARG 4 -21.628 17.838 -1.782 30 HH11 ARG 4 HH21 ARG 4 -18.371 17.094 -0.930 31 HH12 ARG 4 HH22 ARG 4 -17.870 18.749 -0.862 32 HH21 ARG 4 HH11 ARG 4 -20.991 20.006 -1.705 33 HH22 ARG 4 HH12 ARG 4 -19.354 20.400 -1.301 34 H THR 5 H THR 5 -20.340 11.750 -5.499 35 HA THR 5 HA THR 5 -19.489 9.480 -3.866 36 HB THR 5 HB THR 5 -21.683 9.742 -5.263 37 HG1 THR 5 HG1 THR 5 -21.754 7.520 -5.442 38 HG21 THR 5 HG21 THR 5 -21.589 9.124 -7.542 39 HG22 THR 5 HG22 THR 5 -19.940 8.517 -7.397 40 HG23 THR 5 HG23 THR 5 -20.249 10.253 -7.345 41 H ALA 6 H ALA 6 -17.906 11.391 -6.011 42 HA ALA 6 HA ALA 6 -16.548 9.346 -7.589 43 HB1 ALA 6 HB1 ALA 6 -14.958 11.409 -7.978 44 HB2 ALA 6 HB2 ALA 6 -16.267 12.312 -7.214 45 HB3 ALA 6 HB3 ALA 6 -16.569 11.401 -8.695 46 H ALA 7 H ALA 7 -16.350 10.276 -4.378 47 HA ALA 7 HA ALA 7 -14.686 10.037 -2.730 48 HB1 ALA 7 HB1 ALA 7 -13.591 7.880 -4.540 49 HB2 ALA 7 HB2 ALA 7 -15.087 7.660 -3.634 50 HB3 ALA 7 HB3 ALA 7 -13.571 7.936 -2.776 51 H ASP 8 H ASP 8 -12.069 9.647 -2.623 52 HA ASP 8 HA ASP 8 -10.720 11.022 -4.862 53 HB2 ASP 8 HB3 ASP 8 -11.556 12.865 -3.418 54 HB3 ASP 8 HB2 ASP 8 -10.694 12.160 -2.050 55 H MET 9 H MET 9 -10.774 8.609 -2.682 56 HA MET 9 HA MET 9 -9.151 7.181 -1.783 57 HB2 MET 9 HB3 MET 9 -7.700 8.374 -4.152 58 HB3 MET 9 HB2 MET 9 -6.988 7.111 -3.153 59 HG2 MET 9 HG3 MET 9 -9.539 6.952 -4.779 60 HG3 MET 9 HG2 MET 9 -8.057 6.029 -5.024 61 HE1 MET 9 HE1 MET 9 -6.938 4.890 -3.011 62 HE2 MET 9 HE2 MET 9 -7.792 3.918 -1.818 63 HE3 MET 9 HE3 MET 9 -7.582 5.644 -1.548 64 H GLU 10 H GLU 10 -9.246 10.143 -0.978 65 HA GLU 10 HA GLU 10 -6.578 10.957 -0.335 66 HB2 GLU 10 HB3 GLU 10 -8.563 12.471 -0.257 67 HB3 GLU 10 HB2 GLU 10 -9.135 11.597 1.165 68 HG2 GLU 10 HG3 GLU 10 -7.013 12.165 2.336 69 HG3 GLU 10 HG2 GLU 10 -6.513 13.102 0.928 70 H HIS 11 H HIS 11 -8.798 8.699 1.130 71 HA HIS 11 HA HIS 11 -7.004 8.438 3.486 72 HB2 HIS 11 HB3 HIS 11 -9.773 7.341 2.924 73 HB3 HIS 11 HB2 HIS 11 -8.844 6.976 4.377 74 HD1 HIS 11 HD1 HIS 11 -11.489 8.472 4.705 75 HD2 HIS 11 HD2 HIS 11 -7.832 10.413 4.195 76 HE1 HIS 11 HE1 HIS 11 -11.772 10.804 5.659 77 HE2 HIS 11 HE2 HIS 11 -9.554 11.993 5.351 78 H CYS 12 H CYS 12 -5.495 6.890 3.390 79 HA CYS 12 HA CYS 12 -5.873 4.630 1.481 80 HB2 CYS 12 HB3 CYS 12 -3.353 5.643 2.832 81 HB3 CYS 12 HB2 CYS 12 -3.432 4.378 1.606 82 H ALA 13 H ALA 13 -5.953 2.542 2.271 83 HA ALA 13 HA ALA 13 -5.289 2.129 5.152 84 HB1 ALA 13 HB1 ALA 13 -7.437 1.745 5.686 85 HB2 ALA 13 HB2 ALA 13 -7.532 0.491 4.451 86 HB3 ALA 13 HB3 ALA 13 -7.913 2.162 4.039 87 H ASP 14 H ASP 14 -4.657 -0.057 5.649 88 HA ASP 14 HA ASP 14 -3.350 -1.431 3.461 89 HB2 ASP 14 HB3 ASP 14 -3.863 -2.260 6.334 90 HB3 ASP 14 HB2 ASP 14 -2.878 -3.184 5.200 91 H GLU 15 H GLU 15 -4.021 -3.276 2.360 92 HA GLU 15 HA GLU 15 -6.822 -3.793 2.163 93 HB2 GLU 15 HB3 GLU 15 -4.439 -4.669 0.858 94 HB3 GLU 15 HB2 GLU 15 -5.327 -6.107 1.352 95 HG2 GLU 15 HG3 GLU 15 -7.227 -4.255 0.294 96 HG3 GLU 15 HG2 GLU 15 -5.882 -4.346 -0.839 97 H LYS 16 H LYS 16 -8.125 -5.212 3.280 98 HA LYS 16 HA LYS 16 -6.996 -6.476 5.667 99 HB2 LYS 16 HB3 LYS 16 -9.293 -7.023 6.222 100 HB3 LYS 16 HB2 LYS 16 -9.237 -5.355 5.648 101 HG2 LYS 16 HG3 LYS 16 -9.878 -6.168 3.370 102 HG3 LYS 16 HG2 LYS 16 -10.070 -7.787 4.046 103 HD2 LYS 16 HD3 LYS 16 -11.689 -6.793 5.716 104 HD3 LYS 16 HD2 LYS 16 -11.619 -5.296 4.787 105 HE2 LYS 16 HE3 LYS 16 -13.549 -6.632 4.074 106 HE3 LYS 16 HE2 LYS 16 -12.365 -6.541 2.769 107 HZ1 LYS 16 HZ1 LYS 16 -12.000 -8.722 2.861 108 HZ2 LYS 16 HZ2 LYS 16 -13.431 -8.820 3.771 109 HZ3 LYS 16 HZ3 LYS 16 -11.924 -8.746 4.555 110 H ASN 17 H ASN 17 -7.780 -7.422 2.432 111 HA ASN 17 HA ASN 17 -7.843 -10.294 3.149 112 HB2 ASN 17 HB3 ASN 17 -8.100 -8.935 0.449 113 HB3 ASN 17 HB2 ASN 17 -8.385 -10.644 0.778 114 HD21 ASN 17 HD21 ASN 17 -10.028 -7.788 0.355 115 HD22 ASN 17 HD22 ASN 17 -11.411 -8.117 1.281 116 H PHE 18 H PHE 18 -5.497 -7.988 2.404 117 HA PHE 18 HA PHE 18 -3.720 -10.048 1.160 118 HB2 PHE 18 HB3 PHE 18 -4.038 -7.878 -0.068 119 HB3 PHE 18 HB2 PHE 18 -3.306 -7.047 1.305 120 HD1 PHE 18 HD2 PHE 18 -2.701 -9.382 -1.492 121 HD2 PHE 18 HD1 PHE 18 -0.941 -7.248 1.792 122 HE1 PHE 18 HE2 PHE 18 -0.441 -9.874 -2.385 123 HE2 PHE 18 HE1 PHE 18 1.317 -7.736 0.898 124 HZ PHE 18 HZ PHE 18 1.570 -9.049 -1.190 125 H ASP 19 H ASP 19 -2.055 -10.840 2.380 126 HA ASP 19 HA ASP 19 -1.750 -9.929 5.130 127 HB2 ASP 19 HB3 ASP 19 -0.129 -11.904 3.489 128 HB3 ASP 19 HB2 ASP 19 0.067 -11.631 5.221 129 H CYS 20 H CYS 20 -1.130 -7.716 4.786 130 HA CYS 20 HA CYS 20 1.190 -6.968 3.244 131 HB2 CYS 20 HB3 CYS 20 0.032 -5.448 5.590 132 HB3 CYS 20 HB2 CYS 20 0.882 -4.797 4.187 133 H ARG 21 H ARG 21 0.647 -7.868 6.608 134 HA ARG 21 HA ARG 21 3.150 -7.079 7.695 135 HB2 ARG 21 HB3 ARG 21 1.062 -8.022 8.889 136 HB3 ARG 21 HB2 ARG 21 1.682 -9.614 8.456 137 HG2 ARG 21 HG3 ARG 21 3.426 -7.602 9.875 138 HG3 ARG 21 HG2 ARG 21 2.333 -8.651 10.775 139 HD2 ARG 21 HD3 ARG 21 3.421 -10.600 9.470 140 HD3 ARG 21 HD2 ARG 21 4.678 -9.440 9.047 141 HE ARG 21 HE ARG 21 5.416 -9.455 11.308 142 HH11 ARG 21 HH21 ARG 21 2.453 -11.153 10.821 143 HH12 ARG 21 HH22 ARG 21 2.438 -11.845 12.406 144 HH21 ARG 21 HH11 ARG 21 5.414 -10.361 13.378 145 HH22 ARG 21 HH12 ARG 21 4.110 -11.399 13.852 146 H ARG 22 H ARG 22 2.135 -10.087 6.100 147 HA ARG 22 HA ARG 22 4.682 -11.401 6.322 148 HB2 ARG 22 HB3 ARG 22 2.996 -12.909 5.846 149 HB3 ARG 22 HB2 ARG 22 2.168 -11.795 4.760 150 HG2 ARG 22 HG3 ARG 22 3.737 -12.173 3.009 151 HG3 ARG 22 HG2 ARG 22 4.851 -13.002 4.096 152 HD2 ARG 22 HD3 ARG 22 3.249 -14.830 4.387 153 HD3 ARG 22 HD2 ARG 22 2.078 -13.985 3.373 154 HE ARG 22 HE ARG 22 4.423 -15.458 2.425 155 HH11 ARG 22 HH21 ARG 22 2.103 -12.975 1.868 156 HH12 ARG 22 HH22 ARG 22 2.237 -13.050 0.142 157 HH21 ARG 22 HH11 ARG 22 4.619 -15.572 0.176 158 HH22 ARG 22 HH12 ARG 22 3.665 -14.523 -0.818 159 H SER 23 H SER 23 3.131 -9.598 3.669 160 HA SER 23 HA SER 23 5.335 -9.831 1.852 161 HB2 SER 23 HB3 SER 23 4.233 -8.049 0.610 162 HB3 SER 23 HB2 SER 23 3.008 -9.159 1.222 163 HG SER 23 HG SER 23 3.588 -6.534 1.935 164 H LEU 24 H LEU 24 4.534 -7.519 4.398 165 HA LEU 24 HA LEU 24 6.518 -5.560 3.760 166 HB2 LEU 24 HB3 LEU 24 4.661 -5.143 5.334 167 HB3 LEU 24 HB2 LEU 24 5.358 -6.305 6.459 168 HG LEU 24 HG LEU 24 7.487 -4.883 6.392 169 HD11 LEU 24 HD11 LEU 24 6.623 -2.384 5.892 170 HD12 LEU 24 HD12 LEU 24 5.622 -3.258 4.738 171 HD13 LEU 24 HD13 LEU 24 7.376 -3.387 4.654 172 HD21 LEU 24 HD21 LEU 24 6.513 -4.518 8.411 173 HD22 LEU 24 HD22 LEU 24 4.908 -4.337 7.706 174 HD23 LEU 24 HD23 LEU 24 6.026 -2.974 7.709 175 H ARG 25 H ARG 25 6.589 -8.241 6.136 176 HA ARG 25 HA ARG 25 9.333 -7.815 6.855 177 HB2 ARG 25 HB3 ARG 25 9.215 -10.023 7.898 178 HB3 ARG 25 HB2 ARG 25 7.729 -9.135 8.234 179 HG2 ARG 25 HG3 ARG 25 6.674 -10.285 6.273 180 HG3 ARG 25 HG2 ARG 25 8.126 -11.276 6.130 181 HD2 ARG 25 HD3 ARG 25 7.779 -12.001 8.510 182 HD3 ARG 25 HD2 ARG 25 6.248 -11.128 8.503 183 HE ARG 25 HE ARG 25 6.627 -13.159 6.387 184 HH11 ARG 25 HH21 ARG 25 5.297 -12.193 9.422 185 HH12 ARG 25 HH22 ARG 25 4.069 -13.414 9.420 186 HH21 ARG 25 HH11 ARG 25 5.035 -14.757 6.373 187 HH22 ARG 25 HH12 ARG 25 3.921 -14.867 7.696 188 H ASN 26 H ASN 26 7.792 -9.377 4.180 189 HA ASN 26 HA ASN 26 10.114 -10.963 3.404 190 HB2 ASN 26 HB3 ASN 26 7.578 -10.169 1.953 191 HB3 ASN 26 HB2 ASN 26 8.808 -11.227 1.260 192 HD21 ASN 26 HD21 ASN 26 6.048 -12.036 1.914 193 HD22 ASN 26 HD22 ASN 26 6.167 -13.249 3.093 194 H GLY 27 H GLY 27 9.568 -7.706 3.430 195 HA2 GLY 27 HA3 GLY 27 10.909 -5.986 2.510 196 HA3 GLY 27 HA2 GLY 27 11.765 -7.210 1.567 197 H ASP 28 H ASP 28 8.308 -7.197 1.459 198 HA ASP 28 HA ASP 28 8.205 -6.961 -1.373 199 HB2 ASP 28 HB3 ASP 28 6.397 -7.932 0.045 200 HB3 ASP 28 HB2 ASP 28 6.008 -6.308 0.614 201 H CYS 29 H CYS 29 7.778 -4.515 1.181 202 HA CYS 29 HA CYS 29 7.064 -2.366 -0.581 203 HB2 CYS 29 HB3 CYS 29 8.604 -2.111 2.018 204 HB3 CYS 29 HB2 CYS 29 7.568 -0.900 1.264 205 H ASP 30 H ASP 30 10.037 -3.978 0.068 206 HA ASP 30 HA ASP 30 11.651 -1.760 -1.055 207 HB2 ASP 30 HB3 ASP 30 12.394 -4.432 0.167 208 HB3 ASP 30 HB2 ASP 30 13.572 -3.283 -0.478 209 H ASN 31 H ASN 31 9.836 -4.184 -2.312 210 HA ASN 31 HA ASN 31 11.793 -4.907 -4.434 211 HB2 ASN 31 HB3 ASN 31 10.383 -6.652 -3.217 212 HB3 ASN 31 HB2 ASN 31 8.987 -5.967 -4.043 213 HD21 ASN 31 HD21 ASN 31 9.341 -8.519 -4.723 214 HD22 ASN 31 HD22 ASN 31 10.102 -8.700 -6.229 215 H ASP 32 H ASP 32 11.785 -3.505 -6.135 216 HA ASP 32 HA ASP 32 9.801 -1.571 -6.685 217 HB2 ASP 32 HB3 ASP 32 11.799 -2.905 -8.528 218 HB3 ASP 32 HB2 ASP 32 10.809 -1.523 -9.000 219 H ASP 33 H ASP 33 10.085 -4.913 -7.695 220 HA ASP 33 HA ASP 33 8.029 -4.880 -9.686 221 HB2 ASP 33 HB3 ASP 33 9.216 -7.063 -7.966 222 HB3 ASP 33 HB2 ASP 33 8.029 -7.374 -9.228 223 H LYS 34 H LYS 34 7.941 -4.974 -6.196 224 HA LYS 34 HA LYS 34 5.025 -5.630 -6.322 225 HB2 LYS 34 HB3 LYS 34 6.803 -5.714 -3.879 226 HB3 LYS 34 HB2 LYS 34 5.191 -6.403 -4.062 227 HG2 LYS 34 HG3 LYS 34 6.181 -7.820 -5.959 228 HG3 LYS 34 HG2 LYS 34 7.758 -7.315 -5.356 229 HD2 LYS 34 HD3 LYS 34 7.136 -8.182 -3.099 230 HD3 LYS 34 HD2 LYS 34 5.628 -8.786 -3.785 231 HE2 LYS 34 HE3 LYS 34 7.643 -9.716 -5.511 232 HE3 LYS 34 HE2 LYS 34 8.271 -9.969 -3.882 233 HZ1 LYS 34 HZ1 LYS 34 6.120 -11.296 -5.233 234 HZ2 LYS 34 HZ2 LYS 34 5.667 -10.726 -3.699 235 HZ3 LYS 34 HZ3 LYS 34 6.993 -11.775 -3.858 236 H LEU 35 H LEU 35 7.064 -3.032 -6.106 237 HA LEU 35 HA LEU 35 6.013 -1.506 -3.962 238 HB2 LEU 35 HB3 LEU 35 7.298 -0.826 -6.584 239 HB3 LEU 35 HB2 LEU 35 6.589 0.466 -5.616 240 HG LEU 35 HG LEU 35 8.669 -1.513 -4.631 241 HD11 LEU 35 HD11 LEU 35 10.287 0.040 -5.101 242 HD12 LEU 35 HD12 LEU 35 9.206 1.402 -4.812 243 HD13 LEU 35 HD13 LEU 35 9.134 0.531 -6.344 244 HD21 LEU 35 HD21 LEU 35 7.648 -0.881 -2.663 245 HD22 LEU 35 HD22 LEU 35 7.011 0.610 -3.357 246 HD23 LEU 35 HD23 LEU 35 8.701 0.519 -2.865 247 H LEU 36 H LEU 36 4.905 -1.795 -7.337 248 HA LEU 36 HA LEU 36 2.733 0.063 -7.035 249 HB2 LEU 36 HB3 LEU 36 3.608 -0.703 -9.245 250 HB3 LEU 36 HB2 LEU 36 2.925 -2.299 -8.931 251 HG LEU 36 HG LEU 36 1.042 -0.052 -8.553 252 HD11 LEU 36 HD11 LEU 36 2.102 0.875 -10.480 253 HD12 LEU 36 HD12 LEU 36 0.668 0.038 -11.079 254 HD13 LEU 36 HD13 LEU 36 2.260 -0.706 -11.243 255 HD21 LEU 36 HD21 LEU 36 -0.402 -1.638 -9.869 256 HD22 LEU 36 HD22 LEU 36 0.291 -2.362 -8.418 257 HD23 LEU 36 HD23 LEU 36 0.984 -2.720 -9.999 258 H GLU 37 H GLU 37 3.021 -3.446 -6.596 259 HA GLU 37 HA GLU 37 0.259 -3.977 -6.112 260 HB2 GLU 37 HB3 GLU 37 2.701 -5.348 -4.939 261 HB3 GLU 37 HB2 GLU 37 1.068 -6.013 -4.967 262 HG2 GLU 37 HG3 GLU 37 2.702 -5.272 -7.414 263 HG3 GLU 37 HG2 GLU 37 2.441 -6.913 -6.820 264 H MET 38 H MET 38 2.895 -2.934 -3.984 265 HA MET 38 HA MET 38 1.386 -3.088 -1.534 266 HB2 MET 38 HB3 MET 38 3.841 -1.540 -2.363 267 HB3 MET 38 HB2 MET 38 3.192 -1.487 -0.723 268 HG2 MET 38 HG3 MET 38 3.989 -4.024 -2.179 269 HG3 MET 38 HG2 MET 38 5.001 -3.195 -0.998 270 HE1 MET 38 HE1 MET 38 2.041 -5.120 -1.917 271 HE2 MET 38 HE2 MET 38 1.475 -5.919 -0.454 272 HE3 MET 38 HE3 MET 38 3.049 -6.336 -1.123 273 H GLY 39 H GLY 39 2.146 -0.367 -3.721 274 HA2 GLY 39 HA3 GLY 39 0.735 1.633 -2.281 275 HA3 GLY 39 HA2 GLY 39 1.011 1.670 -4.025 276 H TYR 40 H TYR 40 -0.322 -1.020 -4.218 277 HA TYR 40 HA TYR 40 -3.078 0.014 -4.452 278 HB2 TYR 40 HB3 TYR 40 -2.157 -1.129 -6.391 279 HB3 TYR 40 HB2 TYR 40 -1.759 -2.541 -5.412 280 HD1 TYR 40 HD1 TYR 40 -3.548 -3.963 -4.461 281 HD2 TYR 40 HD2 TYR 40 -4.417 -0.712 -7.130 282 HE1 TYR 40 HE1 TYR 40 -5.822 -4.877 -4.832 283 HE2 TYR 40 HE2 TYR 40 -6.691 -1.627 -7.505 284 HH TYR 40 HH TYR 40 -7.623 -4.774 -6.320 285 H TYR 41 H TYR 41 -1.464 -2.893 -3.110 286 HA TYR 41 HA TYR 41 -3.898 -3.638 -1.685 287 HB2 TYR 41 HB3 TYR 41 -1.111 -4.787 -1.800 288 HB3 TYR 41 HB2 TYR 41 -2.339 -5.424 -0.708 289 HD1 TYR 41 HD1 TYR 41 -4.657 -5.974 -1.777 290 HD2 TYR 41 HD2 TYR 41 -1.012 -5.584 -4.010 291 HE1 TYR 41 HE1 TYR 41 -5.656 -7.282 -3.629 292 HE2 TYR 41 HE2 TYR 41 -2.013 -6.896 -5.865 293 HH TYR 41 HH TYR 41 -4.522 -7.335 -6.665 294 H CYS 42 H CYS 42 -0.580 -2.789 -0.560 295 HA CYS 42 HA CYS 42 -1.908 -1.744 1.900 296 HB2 CYS 42 HB3 CYS 42 0.828 -2.950 2.021 297 HB3 CYS 42 HB2 CYS 42 -0.393 -2.806 3.287 298 HA PRO 43 HA PRO 43 0.791 1.532 -0.048 299 HB2 PRO 43 HB3 PRO 43 -1.028 3.550 0.411 300 HB3 PRO 43 HB2 PRO 43 -0.988 2.583 -1.075 301 HG2 PRO 43 HG3 PRO 43 -2.741 2.307 1.317 302 HG3 PRO 43 HG2 PRO 43 -3.150 2.158 -0.401 303 HD2 PRO 43 HD3 PRO 43 -2.804 -0.013 1.171 304 HD3 PRO 43 HD2 PRO 43 -2.332 -0.021 -0.544 305 H VAL 44 H VAL 44 -1.141 1.400 2.898 306 HA VAL 44 HA VAL 44 0.443 3.439 4.266 307 HB VAL 44 HB VAL 44 -1.565 1.435 5.335 308 HG11 VAL 44 HG11 VAL 44 0.218 3.350 6.614 309 HG12 VAL 44 HG12 VAL 44 -0.797 2.106 7.347 310 HG13 VAL 44 HG13 VAL 44 -1.471 3.694 6.970 311 HG21 VAL 44 HG21 VAL 44 -3.212 2.919 4.805 312 HG22 VAL 44 HG22 VAL 44 -2.048 3.496 3.612 313 HG23 VAL 44 HG23 VAL 44 -2.200 4.316 5.164 314 H THR 45 H THR 45 0.168 -0.117 4.398 315 HA THR 45 HA THR 45 1.999 -0.591 6.496 316 HB THR 45 HB THR 45 1.617 -2.285 4.015 317 HG1 THR 45 HG1 THR 45 0.127 -1.896 6.349 318 HG21 THR 45 HG21 THR 45 2.930 -2.688 6.666 319 HG22 THR 45 HG22 THR 45 3.397 -3.291 5.076 320 HG23 THR 45 HG23 THR 45 2.071 -4.053 5.952 321 H CYS 46 H CYS 46 2.620 -0.040 3.039 322 HA CYS 46 HA CYS 46 5.494 -0.472 3.452 323 HB2 CYS 46 HB3 CYS 46 3.826 0.264 1.047 324 HB3 CYS 46 HB2 CYS 46 5.590 0.234 1.003 325 H GLY 47 H GLY 47 3.425 2.098 4.000 326 HA2 GLY 47 HA3 GLY 47 4.016 4.248 4.771 327 HA3 GLY 47 HA2 GLY 47 5.692 3.884 4.389 328 H PHE 48 H PHE 48 3.012 3.756 2.038 329 HA PHE 48 HA PHE 48 4.413 5.955 0.560 330 HB2 PHE 48 HB3 PHE 48 2.280 4.060 -0.466 331 HB3 PHE 48 HB2 PHE 48 3.260 5.167 -1.425 332 HD1 PHE 48 HD1 PHE 48 5.952 4.769 -0.232 333 HD2 PHE 48 HD2 PHE 48 2.876 1.939 -1.203 334 HE1 PHE 48 HE1 PHE 48 7.664 2.999 -0.487 335 HE2 PHE 48 HE2 PHE 48 4.586 0.171 -1.457 336 HZ PHE 48 HZ PHE 48 6.979 0.698 -1.095 337 H CYS 49 H CYS 49 1.652 5.119 2.356 338 HA CYS 49 HA CYS 49 0.479 7.777 1.780 339 HB2 CYS 49 HB3 CYS 49 -0.554 5.734 0.447 340 HB3 CYS 49 HB2 CYS 49 -1.374 5.438 1.977 341 H GLU 50 H GLU 50 -1.464 8.065 3.419 342 HA GLU 50 HA GLU 50 -0.423 7.192 6.069 343 HB2 GLU 50 HB3 GLU 50 -1.257 9.177 6.947 344 HB3 GLU 50 HB2 GLU 50 -0.890 9.686 5.301 345 HG2 GLU 50 HG3 GLU 50 -3.300 9.019 4.725 346 HG3 GLU 50 HG2 GLU 50 -3.578 8.962 6.466 347 HA PRO 51 HA PRO 51 -3.868 4.505 6.682 348 HB2 PRO 51 HB3 PRO 51 -4.255 4.770 9.394 349 HB3 PRO 51 HB2 PRO 51 -2.954 3.809 8.666 350 HG2 PRO 51 HG3 PRO 51 -2.866 6.545 9.832 351 HG3 PRO 51 HG2 PRO 51 -1.674 5.237 9.922 352 HD2 PRO 51 HD3 PRO 51 -1.394 7.367 8.239 353 HD3 PRO 51 HD2 PRO 51 -0.748 5.755 7.861 Start of MODEL 9 1 HA ASN 1 HA ASN 1 -24.486 6.321 -12.128 2 HB2 ASN 1 HB3 ASN 1 -21.817 7.618 -11.512 3 HB3 ASN 1 HB2 ASN 1 -22.215 5.901 -11.432 4 HD21 ASN 1 HD21 ASN 1 -23.667 5.632 -13.873 5 HD22 ASN 1 HD22 ASN 1 -22.603 5.905 -15.167 6 H ASP 2 H ASP 2 -23.502 5.829 -9.712 7 HA ASP 2 HA ASP 2 -25.220 7.330 -7.941 8 HB2 ASP 2 HB3 ASP 2 -23.029 5.312 -7.378 9 HB3 ASP 2 HB2 ASP 2 -24.138 5.945 -6.160 10 H ILE 3 H ILE 3 -24.659 8.884 -6.392 11 HA ILE 3 HA ILE 3 -22.252 10.439 -6.955 12 HB ILE 3 HB ILE 3 -24.312 10.750 -4.749 13 HG12 ILE 3 HG13 ILE 3 -24.068 12.182 -7.413 14 HG13 ILE 3 HG12 ILE 3 -25.212 10.882 -7.085 15 HG21 ILE 3 HG21 ILE 3 -21.924 12.320 -5.631 16 HG22 ILE 3 HG22 ILE 3 -22.575 12.084 -4.009 17 HG23 ILE 3 HG23 ILE 3 -23.352 13.215 -5.113 18 HD11 ILE 3 HD11 ILE 3 -25.064 13.447 -5.481 19 HD12 ILE 3 HD12 ILE 3 -26.288 12.182 -5.349 20 HD13 ILE 3 HD13 ILE 3 -26.200 13.174 -6.803 21 H ARG 4 H ARG 4 -22.819 7.707 -5.108 22 HA ARG 4 HA ARG 4 -21.431 8.197 -2.690 23 HB2 ARG 4 HB3 ARG 4 -21.513 5.694 -4.396 24 HB3 ARG 4 HB2 ARG 4 -20.904 5.751 -2.742 25 HG2 ARG 4 HG3 ARG 4 -23.115 6.606 -1.987 26 HG3 ARG 4 HG2 ARG 4 -23.719 6.433 -3.637 27 HD2 ARG 4 HD3 ARG 4 -22.694 4.222 -1.835 28 HD3 ARG 4 HD2 ARG 4 -24.352 4.449 -2.391 29 HE ARG 4 HE ARG 4 -22.676 4.250 -4.680 30 HH11 ARG 4 HH21 ARG 4 -23.838 2.408 -2.007 31 HH12 ARG 4 HH22 ARG 4 -23.727 0.891 -2.835 32 HH21 ARG 4 HH11 ARG 4 -22.514 2.276 -5.770 33 HH22 ARG 4 HH12 ARG 4 -22.982 0.815 -4.965 34 H THR 5 H THR 5 -20.257 7.716 -5.957 35 HA THR 5 HA THR 5 -17.522 7.174 -5.299 36 HB THR 5 HB THR 5 -18.907 7.141 -7.607 37 HG1 THR 5 HG1 THR 5 -16.231 7.800 -7.894 38 HG21 THR 5 HG21 THR 5 -18.441 8.974 -9.018 39 HG22 THR 5 HG22 THR 5 -17.203 9.606 -7.935 40 HG23 THR 5 HG23 THR 5 -18.905 9.726 -7.492 41 H ALA 6 H ALA 6 -19.231 9.757 -4.383 42 HA ALA 6 HA ALA 6 -17.531 11.961 -5.139 43 HB1 ALA 6 HB1 ALA 6 -19.661 12.615 -4.396 44 HB2 ALA 6 HB2 ALA 6 -18.640 12.990 -3.007 45 HB3 ALA 6 HB3 ALA 6 -19.617 11.523 -3.014 46 H ALA 7 H ALA 7 -16.854 9.296 -3.290 47 HA ALA 7 HA ALA 7 -15.510 10.342 -1.015 48 HB1 ALA 7 HB1 ALA 7 -15.930 7.926 -1.330 49 HB2 ALA 7 HB2 ALA 7 -14.221 8.238 -1.031 50 HB3 ALA 7 HB3 ALA 7 -14.780 7.902 -2.670 51 H ASP 8 H ASP 8 -13.358 11.022 -0.721 52 HA ASP 8 HA ASP 8 -12.008 11.923 -3.212 53 HB2 ASP 8 HB3 ASP 8 -10.755 13.435 -1.766 54 HB3 ASP 8 HB2 ASP 8 -12.475 13.589 -1.409 55 H MET 9 H MET 9 -12.006 9.247 -1.434 56 HA MET 9 HA MET 9 -10.400 7.643 -0.817 57 HB2 MET 9 HB3 MET 9 -9.561 8.694 -3.510 58 HB3 MET 9 HB2 MET 9 -8.645 7.412 -2.719 59 HG2 MET 9 HG3 MET 9 -11.534 6.947 -2.630 60 HG3 MET 9 HG2 MET 9 -10.914 7.046 -4.277 61 HE1 MET 9 HE1 MET 9 -9.626 4.183 -0.943 62 HE2 MET 9 HE2 MET 9 -10.774 5.513 -0.856 63 HE3 MET 9 HE3 MET 9 -9.049 5.854 -0.971 64 H GLU 10 H GLU 10 -9.882 10.511 0.057 65 HA GLU 10 HA GLU 10 -7.022 10.901 -0.038 66 HB2 GLU 10 HB3 GLU 10 -8.731 12.702 0.431 67 HB3 GLU 10 HB2 GLU 10 -8.956 11.984 2.027 68 HG2 GLU 10 HG3 GLU 10 -6.512 12.263 2.451 69 HG3 GLU 10 HG2 GLU 10 -6.369 13.090 0.902 70 H HIS 11 H HIS 11 -8.997 8.746 1.716 71 HA HIS 11 HA HIS 11 -6.955 8.454 3.862 72 HB2 HIS 11 HB3 HIS 11 -9.744 7.289 3.590 73 HB3 HIS 11 HB2 HIS 11 -8.660 6.990 4.946 74 HD1 HIS 11 HD1 HIS 11 -10.915 9.570 3.476 75 HD2 HIS 11 HD2 HIS 11 -8.220 9.282 6.645 76 HE1 HIS 11 HE1 HIS 11 -11.307 11.602 4.939 77 HE2 HIS 11 HE2 HIS 11 -9.681 11.431 6.875 78 H CYS 12 H CYS 12 -5.470 6.889 3.599 79 HA CYS 12 HA CYS 12 -6.008 4.714 1.634 80 HB2 CYS 12 HB3 CYS 12 -3.405 5.617 2.905 81 HB3 CYS 12 HB2 CYS 12 -3.563 4.383 1.655 82 H ALA 13 H ALA 13 -6.005 2.567 2.310 83 HA ALA 13 HA ALA 13 -5.320 2.036 5.166 84 HB1 ALA 13 HB1 ALA 13 -7.334 0.674 5.416 85 HB2 ALA 13 HB2 ALA 13 -7.792 1.010 3.747 86 HB3 ALA 13 HB3 ALA 13 -7.783 2.311 4.937 87 H ASP 14 H ASP 14 -4.652 -0.152 5.573 88 HA ASP 14 HA ASP 14 -3.361 -1.428 3.306 89 HB2 ASP 14 HB3 ASP 14 -3.731 -2.304 6.184 90 HB3 ASP 14 HB2 ASP 14 -2.765 -3.187 5.001 91 H GLU 15 H GLU 15 -4.033 -3.285 2.207 92 HA GLU 15 HA GLU 15 -6.806 -3.872 2.075 93 HB2 GLU 15 HB3 GLU 15 -4.404 -4.826 0.829 94 HB3 GLU 15 HB2 GLU 15 -5.340 -6.217 1.363 95 HG2 GLU 15 HG3 GLU 15 -7.255 -4.521 0.244 96 HG3 GLU 15 HG2 GLU 15 -5.868 -4.370 -0.829 97 H LYS 16 H LYS 16 -8.087 -5.279 3.222 98 HA LYS 16 HA LYS 16 -6.971 -6.438 5.675 99 HB2 LYS 16 HB3 LYS 16 -9.281 -7.007 6.196 100 HB3 LYS 16 HB2 LYS 16 -9.229 -5.353 5.589 101 HG2 LYS 16 HG3 LYS 16 -9.821 -6.203 3.322 102 HG3 LYS 16 HG2 LYS 16 -9.975 -7.824 4.002 103 HD2 LYS 16 HD3 LYS 16 -11.654 -6.863 5.639 104 HD3 LYS 16 HD2 LYS 16 -11.625 -5.382 4.685 105 HE2 LYS 16 HE3 LYS 16 -12.025 -7.907 3.168 106 HE3 LYS 16 HE2 LYS 16 -13.358 -7.402 4.202 107 HZ1 LYS 16 HZ1 LYS 16 -12.381 -6.234 1.761 108 HZ2 LYS 16 HZ2 LYS 16 -12.634 -5.098 2.999 109 HZ3 LYS 16 HZ3 LYS 16 -13.906 -6.104 2.489 110 H ASN 17 H ASN 17 -7.913 -7.494 2.482 111 HA ASN 17 HA ASN 17 -7.834 -10.338 3.266 112 HB2 ASN 17 HB3 ASN 17 -8.229 -9.051 0.549 113 HB3 ASN 17 HB2 ASN 17 -8.447 -10.762 0.923 114 HD21 ASN 17 HD21 ASN 17 -10.274 -8.111 0.380 115 HD22 ASN 17 HD22 ASN 17 -11.573 -8.406 1.432 116 H PHE 18 H PHE 18 -5.555 -8.012 2.458 117 HA PHE 18 HA PHE 18 -3.767 -10.044 1.183 118 HB2 PHE 18 HB3 PHE 18 -4.135 -7.828 0.008 119 HB3 PHE 18 HB2 PHE 18 -3.322 -7.054 1.369 120 HD1 PHE 18 HD2 PHE 18 -2.911 -9.382 -1.469 121 HD2 PHE 18 HD1 PHE 18 -0.932 -7.285 1.710 122 HE1 PHE 18 HE2 PHE 18 -0.717 -9.920 -2.484 123 HE2 PHE 18 HE1 PHE 18 1.264 -7.817 0.696 124 HZ PHE 18 HZ PHE 18 1.377 -9.139 -1.401 125 H ASP 19 H ASP 19 -2.106 -10.844 2.410 126 HA ASP 19 HA ASP 19 -1.793 -9.931 5.161 127 HB2 ASP 19 HB3 ASP 19 -0.107 -11.867 3.540 128 HB3 ASP 19 HB2 ASP 19 -0.044 -11.660 5.290 129 H CYS 20 H CYS 20 -1.166 -7.705 4.778 130 HA CYS 20 HA CYS 20 1.158 -7.010 3.219 131 HB2 CYS 20 HB3 CYS 20 -0.061 -5.446 5.509 132 HB3 CYS 20 HB2 CYS 20 0.899 -4.810 4.171 133 H ARG 21 H ARG 21 0.618 -7.811 6.608 134 HA ARG 21 HA ARG 21 3.130 -7.046 7.677 135 HB2 ARG 21 HB3 ARG 21 0.986 -8.031 8.812 136 HB3 ARG 21 HB2 ARG 21 1.730 -9.591 8.481 137 HG2 ARG 21 HG3 ARG 21 3.002 -7.332 10.054 138 HG3 ARG 21 HG2 ARG 21 2.308 -8.799 10.742 139 HD2 ARG 21 HD3 ARG 21 3.956 -10.085 9.250 140 HD3 ARG 21 HD2 ARG 21 4.763 -8.535 9.011 141 HE ARG 21 HE ARG 21 4.748 -10.093 11.493 142 HH11 ARG 21 HH21 ARG 21 5.178 -7.073 9.897 143 HH12 ARG 21 HH22 ARG 21 6.181 -6.405 11.140 144 HH21 ARG 21 HH11 ARG 21 6.057 -9.240 13.133 145 HH22 ARG 21 HH12 ARG 21 6.678 -7.631 12.973 146 H ARG 22 H ARG 22 2.090 -10.063 6.106 147 HA ARG 22 HA ARG 22 4.640 -11.376 6.316 148 HB2 ARG 22 HB3 ARG 22 2.970 -12.903 5.867 149 HB3 ARG 22 HB2 ARG 22 2.110 -11.800 4.793 150 HG2 ARG 22 HG3 ARG 22 3.654 -12.164 3.016 151 HG3 ARG 22 HG2 ARG 22 4.799 -12.974 4.085 152 HD2 ARG 22 HD3 ARG 22 3.216 -14.826 4.403 153 HD3 ARG 22 HD2 ARG 22 2.035 -14.006 3.376 154 HE ARG 22 HE ARG 22 4.332 -15.515 2.441 155 HH11 ARG 22 HH21 ARG 22 2.247 -12.832 1.883 156 HH12 ARG 22 HH22 ARG 22 2.468 -12.845 0.166 157 HH21 ARG 22 HH11 ARG 22 4.641 -15.551 0.204 158 HH22 ARG 22 HH12 ARG 22 3.829 -14.389 -0.789 159 H SER 23 H SER 23 3.074 -9.574 3.673 160 HA SER 23 HA SER 23 5.271 -9.843 1.846 161 HB2 SER 23 HB3 SER 23 4.151 -8.132 0.549 162 HB3 SER 23 HB2 SER 23 2.916 -9.178 1.246 163 HG SER 23 HG SER 23 3.211 -6.563 1.534 164 H LEU 24 H LEU 24 4.502 -7.520 4.392 165 HA LEU 24 HA LEU 24 6.485 -5.567 3.700 166 HB2 LEU 24 HB3 LEU 24 4.642 -5.105 5.272 167 HB3 LEU 24 HB2 LEU 24 5.337 -6.243 6.422 168 HG LEU 24 HG LEU 24 7.474 -4.843 6.315 169 HD11 LEU 24 HD11 LEU 24 7.302 -3.487 4.439 170 HD12 LEU 24 HD12 LEU 24 6.779 -2.373 5.703 171 HD13 LEU 24 HD13 LEU 24 5.584 -3.179 4.688 172 HD21 LEU 24 HD21 LEU 24 6.338 -4.533 8.309 173 HD22 LEU 24 HD22 LEU 24 4.862 -3.995 7.506 174 HD23 LEU 24 HD23 LEU 24 6.241 -2.905 7.643 175 H ARG 25 H ARG 25 6.583 -8.249 6.078 176 HA ARG 25 HA ARG 25 9.327 -7.763 6.804 177 HB2 ARG 25 HB3 ARG 25 9.223 -9.961 7.885 178 HB3 ARG 25 HB2 ARG 25 7.740 -9.066 8.217 179 HG2 ARG 25 HG3 ARG 25 6.686 -10.240 6.259 180 HG3 ARG 25 HG2 ARG 25 8.130 -11.244 6.151 181 HD2 ARG 25 HD3 ARG 25 7.754 -11.935 8.530 182 HD3 ARG 25 HD2 ARG 25 6.234 -11.041 8.507 183 HE ARG 25 HE ARG 25 6.549 -13.051 6.377 184 HH11 ARG 25 HH21 ARG 25 5.390 -12.205 9.515 185 HH12 ARG 25 HH22 ARG 25 4.194 -13.459 9.554 186 HH21 ARG 25 HH11 ARG 25 5.000 -14.693 6.415 187 HH22 ARG 25 HH12 ARG 25 3.978 -14.869 7.804 188 H ASN 26 H ASN 26 7.815 -9.320 4.127 189 HA ASN 26 HA ASN 26 10.131 -10.950 3.383 190 HB2 ASN 26 HB3 ASN 26 7.604 -10.155 1.912 191 HB3 ASN 26 HB2 ASN 26 8.826 -11.236 1.242 192 HD21 ASN 26 HD21 ASN 26 6.026 -11.938 1.918 193 HD22 ASN 26 HD22 ASN 26 6.119 -13.172 3.079 194 H GLY 27 H GLY 27 9.521 -7.688 3.332 195 HA2 GLY 27 HA3 GLY 27 10.887 -5.984 2.408 196 HA3 GLY 27 HA2 GLY 27 11.714 -7.209 1.444 197 H ASP 28 H ASP 28 8.257 -7.230 1.389 198 HA ASP 28 HA ASP 28 8.117 -6.955 -1.431 199 HB2 ASP 28 HB3 ASP 28 6.326 -7.949 -0.008 200 HB3 ASP 28 HB2 ASP 28 5.928 -6.332 0.576 201 H CYS 29 H CYS 29 7.767 -4.516 1.142 202 HA CYS 29 HA CYS 29 7.069 -2.346 -0.626 203 HB2 CYS 29 HB3 CYS 29 8.568 -2.112 1.999 204 HB3 CYS 29 HB2 CYS 29 7.540 -0.898 1.238 205 H ASP 30 H ASP 30 10.004 -4.025 0.016 206 HA ASP 30 HA ASP 30 11.661 -1.807 -1.063 207 HB2 ASP 30 HB3 ASP 30 12.347 -4.459 0.224 208 HB3 ASP 30 HB2 ASP 30 13.560 -3.403 -0.502 209 H ASN 31 H ASN 31 9.864 -4.265 -2.327 210 HA ASN 31 HA ASN 31 11.838 -4.982 -4.434 211 HB2 ASN 31 HB3 ASN 31 10.370 -6.715 -3.244 212 HB3 ASN 31 HB2 ASN 31 9.017 -6.018 -4.131 213 HD21 ASN 31 HD21 ASN 31 9.400 -8.582 -4.782 214 HD22 ASN 31 HD22 ASN 31 10.210 -8.763 -6.261 215 H ASP 32 H ASP 32 11.844 -3.646 -6.184 216 HA ASP 32 HA ASP 32 9.870 -1.687 -6.733 217 HB2 ASP 32 HB3 ASP 32 11.828 -3.030 -8.616 218 HB3 ASP 32 HB2 ASP 32 10.893 -1.588 -9.012 219 H ASP 33 H ASP 33 10.153 -5.038 -7.746 220 HA ASP 33 HA ASP 33 8.097 -4.962 -9.744 221 HB2 ASP 33 HB3 ASP 33 9.712 -6.820 -9.566 222 HB3 ASP 33 HB2 ASP 33 9.001 -7.288 -8.020 223 H LYS 34 H LYS 34 7.993 -5.087 -6.257 224 HA LYS 34 HA LYS 34 5.056 -5.629 -6.407 225 HB2 LYS 34 HB3 LYS 34 6.798 -5.745 -3.944 226 HB3 LYS 34 HB2 LYS 34 5.173 -6.402 -4.154 227 HG2 LYS 34 HG3 LYS 34 6.184 -7.849 -6.025 228 HG3 LYS 34 HG2 LYS 34 7.754 -7.381 -5.372 229 HD2 LYS 34 HD3 LYS 34 7.089 -8.239 -3.153 230 HD3 LYS 34 HD2 LYS 34 5.535 -8.735 -3.821 231 HE2 LYS 34 HE3 LYS 34 6.458 -10.467 -5.054 232 HE3 LYS 34 HE2 LYS 34 8.033 -9.682 -5.168 233 HZ1 LYS 34 HZ1 LYS 34 7.763 -10.042 -2.518 234 HZ2 LYS 34 HZ2 LYS 34 8.594 -11.101 -3.555 235 HZ3 LYS 34 HZ3 LYS 34 6.983 -11.421 -3.121 236 H LEU 35 H LEU 35 7.187 -3.103 -6.174 237 HA LEU 35 HA LEU 35 6.250 -1.519 -4.052 238 HB2 LEU 35 HB3 LEU 35 7.453 -0.955 -6.727 239 HB3 LEU 35 HB2 LEU 35 6.737 0.400 -5.851 240 HG LEU 35 HG LEU 35 8.837 -1.489 -4.737 241 HD11 LEU 35 HD11 LEU 35 10.443 0.028 -5.329 242 HD12 LEU 35 HD12 LEU 35 9.370 1.406 -5.099 243 HD13 LEU 35 HD13 LEU 35 9.278 0.458 -6.582 244 HD21 LEU 35 HD21 LEU 35 8.811 0.743 -3.162 245 HD22 LEU 35 HD22 LEU 35 7.914 -0.732 -2.790 246 HD23 LEU 35 HD23 LEU 35 7.104 0.614 -3.593 247 H LEU 36 H LEU 36 4.946 -1.792 -7.360 248 HA LEU 36 HA LEU 36 2.793 0.065 -6.937 249 HB2 LEU 36 HB3 LEU 36 3.593 -0.691 -9.184 250 HB3 LEU 36 HB2 LEU 36 2.892 -2.279 -8.862 251 HG LEU 36 HG LEU 36 1.049 -0.024 -8.390 252 HD11 LEU 36 HD11 LEU 36 2.000 -0.686 -11.197 253 HD12 LEU 36 HD12 LEU 36 2.252 0.845 -10.360 254 HD13 LEU 36 HD13 LEU 36 0.622 0.340 -10.801 255 HD21 LEU 36 HD21 LEU 36 0.628 -2.578 -8.437 256 HD22 LEU 36 HD22 LEU 36 0.714 -2.423 -10.192 257 HD23 LEU 36 HD23 LEU 36 -0.525 -1.549 -9.292 258 H GLU 37 H GLU 37 3.119 -3.431 -6.448 259 HA GLU 37 HA GLU 37 0.369 -4.009 -5.940 260 HB2 GLU 37 HB3 GLU 37 2.867 -5.304 -4.800 261 HB3 GLU 37 HB2 GLU 37 1.247 -5.999 -4.729 262 HG2 GLU 37 HG3 GLU 37 1.153 -5.943 -7.219 263 HG3 GLU 37 HG2 GLU 37 2.816 -5.352 -7.241 264 H MET 38 H MET 38 2.993 -2.949 -3.806 265 HA MET 38 HA MET 38 1.429 -3.069 -1.382 266 HB2 MET 38 HB3 MET 38 3.954 -1.605 -2.155 267 HB3 MET 38 HB2 MET 38 3.273 -1.550 -0.531 268 HG2 MET 38 HG3 MET 38 4.029 -4.086 -2.009 269 HG3 MET 38 HG2 MET 38 5.020 -3.321 -0.770 270 HE1 MET 38 HE1 MET 38 2.897 -6.397 -1.043 271 HE2 MET 38 HE2 MET 38 2.038 -5.100 -1.864 272 HE3 MET 38 HE3 MET 38 1.319 -5.864 -0.450 273 H GLY 39 H GLY 39 2.287 -0.408 -3.595 274 HA2 GLY 39 HA3 GLY 39 0.972 1.670 -2.182 275 HA3 GLY 39 HA2 GLY 39 1.215 1.657 -3.928 276 H TYR 40 H TYR 40 -0.232 -0.934 -4.141 277 HA TYR 40 HA TYR 40 -2.954 0.215 -4.245 278 HB2 TYR 40 HB3 TYR 40 -2.146 -0.841 -6.263 279 HB3 TYR 40 HB2 TYR 40 -1.728 -2.311 -5.384 280 HD1 TYR 40 HD2 TYR 40 -4.467 -0.276 -6.752 281 HD2 TYR 40 HD1 TYR 40 -3.452 -3.846 -4.606 282 HE1 TYR 40 HE2 TYR 40 -6.761 -1.148 -7.114 283 HE2 TYR 40 HE1 TYR 40 -5.739 -4.724 -4.967 284 HH TYR 40 HH TYR 40 -8.154 -3.398 -5.440 285 H TYR 41 H TYR 41 -1.477 -2.868 -3.177 286 HA TYR 41 HA TYR 41 -3.871 -3.612 -1.703 287 HB2 TYR 41 HB3 TYR 41 -1.093 -4.791 -1.864 288 HB3 TYR 41 HB2 TYR 41 -2.380 -5.494 -0.885 289 HD1 TYR 41 HD1 TYR 41 -4.619 -6.009 -2.081 290 HD2 TYR 41 HD2 TYR 41 -0.925 -5.323 -4.155 291 HE1 TYR 41 HE1 TYR 41 -5.526 -7.162 -4.079 292 HE2 TYR 41 HE2 TYR 41 -1.834 -6.468 -6.158 293 HH TYR 41 HH TYR 41 -4.229 -8.479 -6.184 294 H CYS 42 H CYS 42 -0.554 -2.645 -0.716 295 HA CYS 42 HA CYS 42 -1.761 -1.849 1.891 296 HB2 CYS 42 HB3 CYS 42 1.007 -2.990 1.752 297 HB3 CYS 42 HB2 CYS 42 -0.094 -2.897 3.126 298 HA PRO 43 HA PRO 43 0.756 1.598 -0.006 299 HB2 PRO 43 HB3 PRO 43 -1.129 3.535 0.505 300 HB3 PRO 43 HB2 PRO 43 -1.079 2.587 -0.994 301 HG2 PRO 43 HG3 PRO 43 -2.796 2.234 1.413 302 HG3 PRO 43 HG2 PRO 43 -3.210 2.069 -0.304 303 HD2 PRO 43 HD3 PRO 43 -2.751 -0.085 1.296 304 HD3 PRO 43 HD2 PRO 43 -2.360 -0.089 -0.440 305 H VAL 44 H VAL 44 -1.183 1.379 2.932 306 HA VAL 44 HA VAL 44 0.346 3.431 4.333 307 HB VAL 44 HB VAL 44 -1.624 1.358 5.344 308 HG11 VAL 44 HG11 VAL 44 -1.789 3.055 7.254 309 HG12 VAL 44 HG12 VAL 44 -0.278 3.727 6.638 310 HG13 VAL 44 HG13 VAL 44 -0.333 2.060 7.210 311 HG21 VAL 44 HG21 VAL 44 -2.086 4.314 4.949 312 HG22 VAL 44 HG22 VAL 44 -3.284 3.034 5.140 313 HG23 VAL 44 HG23 VAL 44 -2.362 3.163 3.641 314 H THR 45 H THR 45 0.161 -0.121 4.398 315 HA THR 45 HA THR 45 1.989 -0.617 6.488 316 HB THR 45 HB THR 45 1.648 -2.231 3.955 317 HG1 THR 45 HG1 THR 45 -0.051 -3.172 4.978 318 HG21 THR 45 HG21 THR 45 2.042 -4.023 5.922 319 HG22 THR 45 HG22 THR 45 2.979 -2.674 6.566 320 HG23 THR 45 HG23 THR 45 3.358 -3.335 4.976 321 H CYS 46 H CYS 46 2.631 -0.024 3.036 322 HA CYS 46 HA CYS 46 5.509 -0.421 3.466 323 HB2 CYS 46 HB3 CYS 46 3.853 0.353 1.064 324 HB3 CYS 46 HB2 CYS 46 5.617 0.274 1.026 325 H GLY 47 H GLY 47 3.326 2.180 3.768 326 HA2 GLY 47 HA3 GLY 47 3.908 4.317 4.633 327 HA3 GLY 47 HA2 GLY 47 5.593 3.980 4.262 328 H PHE 48 H PHE 48 2.927 3.764 1.906 329 HA PHE 48 HA PHE 48 4.294 5.949 0.386 330 HB2 PHE 48 HB3 PHE 48 2.184 3.982 -0.568 331 HB3 PHE 48 HB2 PHE 48 3.052 5.143 -1.569 332 HD1 PHE 48 HD1 PHE 48 5.778 5.004 -0.983 333 HD2 PHE 48 HD2 PHE 48 2.907 1.819 -0.838 334 HE1 PHE 48 HE1 PHE 48 7.599 3.352 -1.304 335 HE2 PHE 48 HE2 PHE 48 4.724 0.168 -1.159 336 HZ PHE 48 HZ PHE 48 7.070 0.932 -1.388 337 H CYS 49 H CYS 49 1.611 5.164 2.284 338 HA CYS 49 HA CYS 49 0.416 7.810 1.731 339 HB2 CYS 49 HB3 CYS 49 -0.690 5.869 0.360 340 HB3 CYS 49 HB2 CYS 49 -1.418 5.436 1.908 341 H GLU 50 H GLU 50 -1.528 8.048 3.404 342 HA GLU 50 HA GLU 50 -0.463 7.077 6.016 343 HB2 GLU 50 HB3 GLU 50 -2.340 9.413 5.615 344 HB3 GLU 50 HB2 GLU 50 -1.326 9.058 7.014 345 HG2 GLU 50 HG3 GLU 50 0.474 9.174 4.880 346 HG3 GLU 50 HG2 GLU 50 -0.651 10.497 4.571 347 HA PRO 51 HA PRO 51 -3.948 4.506 6.792 348 HB2 PRO 51 HB3 PRO 51 -4.376 6.104 9.276 349 HB3 PRO 51 HB2 PRO 51 -4.242 4.348 9.074 350 HG2 PRO 51 HG3 PRO 51 -2.242 5.864 10.048 351 HG3 PRO 51 HG2 PRO 51 -1.970 4.377 9.127 352 HD2 PRO 51 HD3 PRO 51 -1.477 7.177 8.323 353 HD3 PRO 51 HD2 PRO 51 -0.817 5.675 7.641 Start of MODEL 10 1 HA ASN 1 HA ASN 1 -11.255 24.085 -11.095 2 HB2 ASN 1 HB3 ASN 1 -10.290 23.308 -9.051 3 HB3 ASN 1 HB2 ASN 1 -10.348 25.065 -8.918 4 HD21 ASN 1 HD21 ASN 1 -10.237 23.638 -6.542 5 HD22 ASN 1 HD22 ASN 1 -11.741 23.689 -5.758 6 H ASP 2 H ASP 2 -11.606 21.724 -10.592 7 HA ASP 2 HA ASP 2 -14.421 21.102 -10.858 8 HB2 ASP 2 HB3 ASP 2 -12.578 19.754 -11.904 9 HB3 ASP 2 HB2 ASP 2 -12.138 19.187 -10.296 10 H ILE 3 H ILE 3 -15.848 20.497 -9.294 11 HA ILE 3 HA ILE 3 -15.044 20.770 -6.502 12 HB ILE 3 HB ILE 3 -17.688 19.764 -7.586 13 HG12 ILE 3 HG13 ILE 3 -17.208 21.894 -8.642 14 HG13 ILE 3 HG12 ILE 3 -18.390 22.169 -7.365 15 HG21 ILE 3 HG21 ILE 3 -17.816 21.406 -5.225 16 HG22 ILE 3 HG22 ILE 3 -16.649 20.111 -4.961 17 HG23 ILE 3 HG23 ILE 3 -18.306 19.723 -5.419 18 HD11 ILE 3 HD11 ILE 3 -15.461 22.863 -7.408 19 HD12 ILE 3 HD12 ILE 3 -16.287 22.627 -5.870 20 HD13 ILE 3 HD13 ILE 3 -16.835 23.881 -6.984 21 H ARG 4 H ARG 4 -14.663 18.295 -8.663 22 HA ARG 4 HA ARG 4 -15.483 16.062 -6.975 23 HB2 ARG 4 HB3 ARG 4 -13.670 16.162 -9.404 24 HB3 ARG 4 HB2 ARG 4 -14.226 14.681 -8.624 25 HG2 ARG 4 HG3 ARG 4 -16.579 15.395 -9.029 26 HG3 ARG 4 HG2 ARG 4 -15.976 16.797 -9.906 27 HD2 ARG 4 HD3 ARG 4 -16.481 15.098 -11.542 28 HD3 ARG 4 HD2 ARG 4 -14.722 15.191 -11.415 29 HE ARG 4 HE ARG 4 -15.842 13.213 -9.609 30 HH11 ARG 4 HH21 ARG 4 -14.860 13.898 -12.848 31 HH12 ARG 4 HH22 ARG 4 -14.576 12.236 -13.248 32 HH21 ARG 4 HH11 ARG 4 -15.491 11.045 -10.126 33 HH22 ARG 4 HH12 ARG 4 -14.925 10.621 -11.710 34 H THR 5 H THR 5 -13.001 18.257 -6.705 35 HA THR 5 HA THR 5 -10.851 16.470 -5.921 36 HB THR 5 HB THR 5 -10.727 18.966 -6.669 37 HG1 THR 5 HG1 THR 5 -8.908 17.894 -6.007 38 HG21 THR 5 HG21 THR 5 -12.362 19.429 -4.595 39 HG22 THR 5 HG22 THR 5 -11.180 20.622 -5.137 40 HG23 THR 5 HG23 THR 5 -10.820 19.593 -3.756 41 H ALA 6 H ALA 6 -13.789 17.035 -4.561 42 HA ALA 6 HA ALA 6 -12.950 17.219 -1.761 43 HB1 ALA 6 HB1 ALA 6 -15.673 16.284 -2.185 44 HB2 ALA 6 HB2 ALA 6 -15.323 17.716 -3.154 45 HB3 ALA 6 HB3 ALA 6 -15.110 17.761 -1.406 46 H ALA 7 H ALA 7 -12.713 14.796 -3.937 47 HA ALA 7 HA ALA 7 -13.882 12.509 -2.846 48 HB1 ALA 7 HB1 ALA 7 -11.248 11.751 -3.536 49 HB2 ALA 7 HB2 ALA 7 -11.669 13.086 -4.608 50 HB3 ALA 7 HB3 ALA 7 -12.688 11.650 -4.549 51 H ASP 8 H ASP 8 -13.412 11.152 -1.130 52 HA ASP 8 HA ASP 8 -11.516 12.236 0.888 53 HB2 ASP 8 HB3 ASP 8 -13.726 10.165 1.099 54 HB3 ASP 8 HB2 ASP 8 -12.679 10.648 2.434 55 H MET 9 H MET 9 -11.153 10.358 -1.639 56 HA MET 9 HA MET 9 -10.161 7.882 -0.549 57 HB2 MET 9 HB3 MET 9 -9.884 9.280 -3.199 58 HB3 MET 9 HB2 MET 9 -8.936 7.833 -2.850 59 HG2 MET 9 HG3 MET 9 -11.734 7.513 -2.087 60 HG3 MET 9 HG2 MET 9 -11.558 7.885 -3.799 61 HE1 MET 9 HE1 MET 9 -8.993 5.996 -1.380 62 HE2 MET 9 HE2 MET 9 -9.748 4.405 -1.444 63 HE3 MET 9 HE3 MET 9 -10.665 5.783 -0.844 64 H GLU 10 H GLU 10 -9.104 10.722 0.247 65 HA GLU 10 HA GLU 10 -6.288 10.701 -0.359 66 HB2 GLU 10 HB3 GLU 10 -7.507 12.720 0.376 67 HB3 GLU 10 HB2 GLU 10 -7.790 11.975 1.943 68 HG2 GLU 10 HG3 GLU 10 -5.894 13.419 2.201 69 HG3 GLU 10 HG2 GLU 10 -5.276 11.772 2.188 70 H HIS 11 H HIS 11 -8.260 8.990 1.910 71 HA HIS 11 HA HIS 11 -5.875 8.231 3.503 72 HB2 HIS 11 HB3 HIS 11 -8.836 7.793 3.988 73 HB3 HIS 11 HB2 HIS 11 -7.555 7.208 5.051 74 HD1 HIS 11 HD1 HIS 11 -9.382 10.314 4.056 75 HD2 HIS 11 HD2 HIS 11 -6.131 9.271 6.451 76 HE1 HIS 11 HE1 HIS 11 -8.830 12.359 5.451 77 HE2 HIS 11 HE2 HIS 11 -6.844 11.739 6.901 78 H CYS 12 H CYS 12 -4.937 6.345 3.147 79 HA CYS 12 HA CYS 12 -6.361 4.316 1.488 80 HB2 CYS 12 HB3 CYS 12 -3.407 4.288 2.054 81 HB3 CYS 12 HB2 CYS 12 -4.273 3.623 0.669 82 H ALA 13 H ALA 13 -6.088 2.061 2.167 83 HA ALA 13 HA ALA 13 -5.221 1.751 4.999 84 HB1 ALA 13 HB1 ALA 13 -7.218 0.750 5.668 85 HB2 ALA 13 HB2 ALA 13 -7.689 0.358 4.016 86 HB3 ALA 13 HB3 ALA 13 -7.791 2.021 4.590 87 H ASP 14 H ASP 14 -4.486 -0.380 5.510 88 HA ASP 14 HA ASP 14 -3.266 -1.793 3.327 89 HB2 ASP 14 HB3 ASP 14 -3.746 -2.630 6.203 90 HB3 ASP 14 HB2 ASP 14 -2.696 -3.482 5.069 91 H GLU 15 H GLU 15 -4.035 -3.514 2.144 92 HA GLU 15 HA GLU 15 -6.811 -4.083 2.070 93 HB2 GLU 15 HB3 GLU 15 -4.437 -5.027 0.737 94 HB3 GLU 15 HB2 GLU 15 -5.448 -6.403 1.169 95 HG2 GLU 15 HG3 GLU 15 -7.251 -4.500 0.185 96 HG3 GLU 15 HG2 GLU 15 -5.863 -4.378 -0.889 97 H LYS 16 H LYS 16 -8.071 -5.607 3.099 98 HA LYS 16 HA LYS 16 -6.890 -6.898 5.460 99 HB2 LYS 16 HB3 LYS 16 -9.160 -7.445 6.069 100 HB3 LYS 16 HB2 LYS 16 -9.144 -5.778 5.496 101 HG2 LYS 16 HG3 LYS 16 -9.860 -6.580 3.251 102 HG3 LYS 16 HG2 LYS 16 -9.976 -8.217 3.902 103 HD2 LYS 16 HD3 LYS 16 -11.521 -7.246 5.685 104 HD3 LYS 16 HD2 LYS 16 -11.588 -5.792 4.690 105 HE2 LYS 16 HE3 LYS 16 -12.710 -8.500 4.163 106 HE3 LYS 16 HE2 LYS 16 -13.381 -6.911 3.785 107 HZ1 LYS 16 HZ1 LYS 16 -12.745 -7.660 1.727 108 HZ2 LYS 16 HZ2 LYS 16 -11.376 -8.480 2.314 109 HZ3 LYS 16 HZ3 LYS 16 -11.368 -6.786 2.191 110 H ASN 17 H ASN 17 -7.794 -7.734 2.213 111 HA ASN 17 HA ASN 17 -7.834 -10.629 2.807 112 HB2 ASN 17 HB3 ASN 17 -7.970 -9.183 0.144 113 HB3 ASN 17 HB2 ASN 17 -8.304 -10.892 0.418 114 HD21 ASN 17 HD21 ASN 17 -9.768 -7.841 0.211 115 HD22 ASN 17 HD22 ASN 17 -11.243 -8.228 0.957 116 H PHE 18 H PHE 18 -5.549 -8.233 2.155 117 HA PHE 18 HA PHE 18 -3.615 -10.207 1.020 118 HB2 PHE 18 HB3 PHE 18 -4.039 -8.006 -0.192 119 HB3 PHE 18 HB2 PHE 18 -3.298 -7.198 1.192 120 HD1 PHE 18 HD1 PHE 18 -0.928 -7.457 1.685 121 HD2 PHE 18 HD2 PHE 18 -2.712 -9.409 -1.697 122 HE1 PHE 18 HE1 PHE 18 1.322 -7.919 0.764 123 HE2 PHE 18 HE2 PHE 18 -0.456 -9.879 -2.617 124 HZ PHE 18 HZ PHE 18 1.562 -9.133 -1.382 125 H ASP 19 H ASP 19 -1.873 -10.818 2.291 126 HA ASP 19 HA ASP 19 -1.822 -9.887 5.076 127 HB2 ASP 19 HB3 ASP 19 -0.007 -11.827 3.595 128 HB3 ASP 19 HB2 ASP 19 -0.004 -11.544 5.339 129 H CYS 20 H CYS 20 -1.243 -7.663 4.750 130 HA CYS 20 HA CYS 20 1.093 -6.860 3.279 131 HB2 CYS 20 HB3 CYS 20 -0.218 -5.388 5.576 132 HB3 CYS 20 HB2 CYS 20 0.745 -4.693 4.272 133 H ARG 21 H ARG 21 0.507 -7.703 6.645 134 HA ARG 21 HA ARG 21 2.984 -6.873 7.754 135 HB2 ARG 21 HB3 ARG 21 0.840 -7.827 8.874 136 HB3 ARG 21 HB2 ARG 21 1.567 -9.405 8.569 137 HG2 ARG 21 HG3 ARG 21 2.900 -7.149 10.100 138 HG3 ARG 21 HG2 ARG 21 2.105 -8.538 10.838 139 HD2 ARG 21 HD3 ARG 21 3.710 -9.937 9.313 140 HD3 ARG 21 HD2 ARG 21 4.653 -8.446 9.245 141 HE ARG 21 HE ARG 21 5.201 -8.732 11.536 142 HH11 ARG 21 HH21 ARG 21 2.729 -10.864 10.447 143 HH12 ARG 21 HH22 ARG 21 2.740 -11.833 11.884 144 HH21 ARG 21 HH11 ARG 21 5.243 -9.991 13.419 145 HH22 ARG 21 HH12 ARG 21 4.172 -11.343 13.561 146 H ARG 22 H ARG 22 2.039 -9.972 6.260 147 HA ARG 22 HA ARG 22 4.636 -11.181 6.594 148 HB2 ARG 22 HB3 ARG 22 3.036 -12.802 6.194 149 HB3 ARG 22 HB2 ARG 22 2.159 -11.796 5.037 150 HG2 ARG 22 HG3 ARG 22 3.773 -12.181 3.332 151 HG3 ARG 22 HG2 ARG 22 4.922 -12.878 4.473 152 HD2 ARG 22 HD3 ARG 22 3.444 -14.796 4.838 153 HD3 ARG 22 HD2 ARG 22 2.225 -14.079 3.780 154 HE ARG 22 HE ARG 22 4.533 -15.559 2.901 155 HH11 ARG 22 HH21 ARG 22 2.511 -12.850 2.252 156 HH12 ARG 22 HH22 ARG 22 2.802 -12.867 0.548 157 HH21 ARG 22 HH11 ARG 22 4.935 -15.591 0.671 158 HH22 ARG 22 HH12 ARG 22 4.193 -14.403 -0.344 159 H SER 23 H SER 23 3.014 -9.600 3.859 160 HA SER 23 HA SER 23 5.175 -9.846 2.024 161 HB2 SER 23 HB3 SER 23 2.937 -7.826 2.250 162 HB3 SER 23 HB2 SER 23 4.052 -7.888 0.885 163 HG SER 23 HG SER 23 2.929 -9.497 0.146 164 H LEU 24 H LEU 24 4.419 -7.393 4.480 165 HA LEU 24 HA LEU 24 6.420 -5.498 3.730 166 HB2 LEU 24 HB3 LEU 24 4.640 -4.934 5.318 167 HB3 LEU 24 HB2 LEU 24 5.279 -6.110 6.471 168 HG LEU 24 HG LEU 24 7.466 -4.818 6.426 169 HD11 LEU 24 HD11 LEU 24 7.079 -2.365 5.702 170 HD12 LEU 24 HD12 LEU 24 5.723 -2.995 4.771 171 HD13 LEU 24 HD13 LEU 24 7.361 -3.557 4.437 172 HD21 LEU 24 HD21 LEU 24 6.583 -4.074 8.356 173 HD22 LEU 24 HD22 LEU 24 4.949 -4.169 7.700 174 HD23 LEU 24 HD23 LEU 24 5.909 -2.710 7.465 175 H ARG 25 H ARG 25 6.562 -8.140 6.157 176 HA ARG 25 HA ARG 25 9.322 -7.652 6.800 177 HB2 ARG 25 HB3 ARG 25 9.268 -9.917 7.818 178 HB3 ARG 25 HB2 ARG 25 7.889 -8.938 8.317 179 HG2 ARG 25 HG3 ARG 25 6.531 -10.015 6.538 180 HG3 ARG 25 HG2 ARG 25 7.896 -11.062 6.155 181 HD2 ARG 25 HD3 ARG 25 6.464 -10.893 8.823 182 HD3 ARG 25 HD2 ARG 25 6.356 -12.225 7.672 183 HE ARG 25 HE ARG 25 8.488 -11.819 9.572 184 HH11 ARG 25 HH21 ARG 25 7.726 -12.859 6.378 185 HH12 ARG 25 HH22 ARG 25 9.076 -13.937 6.261 186 HH21 ARG 25 HH11 ARG 25 10.252 -13.211 9.447 187 HH22 ARG 25 HH12 ARG 25 10.523 -14.120 7.997 188 H ASN 26 H ASN 26 7.723 -9.266 4.196 189 HA ASN 26 HA ASN 26 10.018 -10.881 3.386 190 HB2 ASN 26 HB3 ASN 26 7.457 -10.074 1.976 191 HB3 ASN 26 HB2 ASN 26 8.678 -11.129 1.253 192 HD21 ASN 26 HD21 ASN 26 5.889 -11.871 2.023 193 HD22 ASN 26 HD22 ASN 26 6.042 -13.124 3.159 194 H GLY 27 H GLY 27 9.482 -7.622 3.391 195 HA2 GLY 27 HA3 GLY 27 10.805 -5.915 2.430 196 HA3 GLY 27 HA2 GLY 27 11.641 -7.144 1.480 197 H ASP 28 H ASP 28 8.173 -7.118 1.440 198 HA ASP 28 HA ASP 28 7.996 -6.901 -1.392 199 HB2 ASP 28 HB3 ASP 28 6.209 -7.779 0.176 200 HB3 ASP 28 HB2 ASP 28 5.850 -6.104 0.593 201 H CYS 29 H CYS 29 7.730 -4.451 1.164 202 HA CYS 29 HA CYS 29 7.046 -2.281 -0.598 203 HB2 CYS 29 HB3 CYS 29 8.580 -2.049 2.006 204 HB3 CYS 29 HB2 CYS 29 7.534 -0.842 1.261 205 H ASP 30 H ASP 30 9.986 -3.966 0.101 206 HA ASP 30 HA ASP 30 11.657 -1.782 -1.001 207 HB2 ASP 30 HB3 ASP 30 12.341 -4.487 0.174 208 HB3 ASP 30 HB2 ASP 30 13.541 -3.354 -0.452 209 H ASN 31 H ASN 31 9.820 -4.225 -2.268 210 HA ASN 31 HA ASN 31 11.785 -4.888 -4.393 211 HB2 ASN 31 HB3 ASN 31 10.418 -6.684 -3.254 212 HB3 ASN 31 HB2 ASN 31 8.989 -5.983 -4.004 213 HD21 ASN 31 HD21 ASN 31 9.509 -8.554 -4.751 214 HD22 ASN 31 HD22 ASN 31 10.163 -8.620 -6.314 215 H ASP 32 H ASP 32 11.784 -3.489 -6.088 216 HA ASP 32 HA ASP 32 9.786 -1.555 -6.618 217 HB2 ASP 32 HB3 ASP 32 11.772 -2.829 -8.521 218 HB3 ASP 32 HB2 ASP 32 10.831 -1.382 -8.880 219 H ASP 33 H ASP 33 10.103 -4.883 -7.634 220 HA ASP 33 HA ASP 33 8.085 -4.848 -9.671 221 HB2 ASP 33 HB3 ASP 33 9.214 -7.056 -7.937 222 HB3 ASP 33 HB2 ASP 33 8.134 -7.333 -9.303 223 H LYS 34 H LYS 34 7.937 -4.932 -6.191 224 HA LYS 34 HA LYS 34 5.034 -5.622 -6.376 225 HB2 LYS 34 HB3 LYS 34 6.759 -5.730 -3.893 226 HB3 LYS 34 HB2 LYS 34 5.161 -6.441 -4.132 227 HG2 LYS 34 HG3 LYS 34 6.192 -7.839 -5.992 228 HG3 LYS 34 HG2 LYS 34 7.766 -7.278 -5.422 229 HD2 LYS 34 HD3 LYS 34 7.234 -8.174 -3.161 230 HD3 LYS 34 HD2 LYS 34 5.721 -8.817 -3.798 231 HE2 LYS 34 HE3 LYS 34 7.518 -9.789 -5.619 232 HE3 LYS 34 HE2 LYS 34 8.479 -9.816 -4.143 233 HZ1 LYS 34 HZ1 LYS 34 7.341 -11.865 -4.265 234 HZ2 LYS 34 HZ2 LYS 34 5.859 -11.116 -4.614 235 HZ3 LYS 34 HZ3 LYS 34 6.550 -10.958 -3.067 236 H LEU 35 H LEU 35 7.091 -3.032 -6.079 237 HA LEU 35 HA LEU 35 6.015 -1.516 -3.952 238 HB2 LEU 35 HB3 LEU 35 7.299 -0.817 -6.565 239 HB3 LEU 35 HB2 LEU 35 6.552 0.467 -5.620 240 HG LEU 35 HG LEU 35 8.645 -1.462 -4.578 241 HD11 LEU 35 HD11 LEU 35 10.243 0.082 -5.096 242 HD12 LEU 35 HD12 LEU 35 9.175 1.445 -4.776 243 HD13 LEU 35 HD13 LEU 35 9.075 0.590 -6.313 244 HD21 LEU 35 HD21 LEU 35 7.695 -0.812 -2.604 245 HD22 LEU 35 HD22 LEU 35 6.878 0.566 -3.345 246 HD23 LEU 35 HD23 LEU 35 8.575 0.690 -2.889 247 H LEU 36 H LEU 36 4.885 -1.805 -7.324 248 HA LEU 36 HA LEU 36 2.689 0.019 -7.007 249 HB2 LEU 36 HB3 LEU 36 3.572 -0.787 -9.211 250 HB3 LEU 36 HB2 LEU 36 2.865 -2.367 -8.870 251 HG LEU 36 HG LEU 36 0.985 -0.135 -8.503 252 HD11 LEU 36 HD11 LEU 36 2.294 -0.674 -11.178 253 HD12 LEU 36 HD12 LEU 36 2.026 0.880 -10.383 254 HD13 LEU 36 HD13 LEU 36 0.662 -0.011 -11.056 255 HD21 LEU 36 HD21 LEU 36 0.542 -2.660 -8.543 256 HD22 LEU 36 HD22 LEU 36 0.810 -2.580 -10.282 257 HD23 LEU 36 HD23 LEU 36 -0.517 -1.676 -9.553 258 H GLU 37 H GLU 37 3.045 -3.469 -6.496 259 HA GLU 37 HA GLU 37 0.295 -4.061 -6.011 260 HB2 GLU 37 HB3 GLU 37 2.762 -5.348 -4.804 261 HB3 GLU 37 HB2 GLU 37 1.147 -6.052 -4.832 262 HG2 GLU 37 HG3 GLU 37 1.193 -5.932 -7.329 263 HG3 GLU 37 HG2 GLU 37 2.864 -5.375 -7.234 264 H MET 38 H MET 38 2.892 -2.924 -3.896 265 HA MET 38 HA MET 38 1.346 -3.066 -1.460 266 HB2 MET 38 HB3 MET 38 3.780 -1.449 -2.222 267 HB3 MET 38 HB2 MET 38 3.149 -1.567 -0.586 268 HG2 MET 38 HG3 MET 38 4.087 -3.895 -2.282 269 HG3 MET 38 HG2 MET 38 4.995 -3.174 -0.957 270 HE1 MET 38 HE1 MET 38 3.123 -5.771 -2.155 271 HE2 MET 38 HE2 MET 38 1.499 -5.255 -1.722 272 HE3 MET 38 HE3 MET 38 2.260 -6.573 -0.839 273 H GLY 39 H GLY 39 2.186 -0.381 -3.657 274 HA2 GLY 39 HA3 GLY 39 0.788 1.663 -2.273 275 HA3 GLY 39 HA2 GLY 39 1.077 1.660 -4.018 276 H TYR 40 H TYR 40 -0.307 -0.975 -4.243 277 HA TYR 40 HA TYR 40 -3.056 0.111 -4.367 278 HB2 TYR 40 HB3 TYR 40 -2.218 -0.910 -6.405 279 HB3 TYR 40 HB2 TYR 40 -1.797 -2.384 -5.534 280 HD1 TYR 40 HD2 TYR 40 -3.561 -3.862 -4.638 281 HD2 TYR 40 HD1 TYR 40 -4.512 -0.414 -7.015 282 HE1 TYR 40 HE2 TYR 40 -5.852 -4.741 -4.990 283 HE2 TYR 40 HE1 TYR 40 -6.803 -1.293 -7.365 284 HH TYR 40 HH TYR 40 -8.109 -3.823 -5.555 285 H TYR 41 H TYR 41 -1.484 -2.942 -3.289 286 HA TYR 41 HA TYR 41 -3.885 -3.722 -1.819 287 HB2 TYR 41 HB3 TYR 41 -1.114 -4.914 -2.022 288 HB3 TYR 41 HB2 TYR 41 -2.395 -5.620 -1.040 289 HD1 TYR 41 HD1 TYR 41 -4.661 -6.094 -2.222 290 HD2 TYR 41 HD2 TYR 41 -0.970 -5.416 -4.310 291 HE1 TYR 41 HE1 TYR 41 -5.600 -7.193 -4.239 292 HE2 TYR 41 HE2 TYR 41 -1.907 -6.513 -6.327 293 HH TYR 41 HH TYR 41 -4.178 -8.474 -6.464 294 H CYS 42 H CYS 42 -0.561 -2.762 -0.846 295 HA CYS 42 HA CYS 42 -1.745 -2.021 1.791 296 HB2 CYS 42 HB3 CYS 42 1.013 -3.199 1.519 297 HB3 CYS 42 HB2 CYS 42 0.044 -2.991 2.979 298 HA PRO 43 HA PRO 43 0.735 1.475 -0.093 299 HB2 PRO 43 HB3 PRO 43 -1.205 3.373 0.325 300 HB3 PRO 43 HB2 PRO 43 -1.098 2.395 -1.152 301 HG2 PRO 43 HG3 PRO 43 -2.843 2.029 1.238 302 HG3 PRO 43 HG2 PRO 43 -3.246 1.866 -0.481 303 HD2 PRO 43 HD3 PRO 43 -2.776 -0.291 1.089 304 HD3 PRO 43 HD2 PRO 43 -2.324 -0.267 -0.632 305 H VAL 44 H VAL 44 -1.284 1.243 2.799 306 HA VAL 44 HA VAL 44 0.134 3.362 4.208 307 HB VAL 44 HB VAL 44 -1.792 1.234 5.168 308 HG11 VAL 44 HG11 VAL 44 -0.327 3.452 6.537 309 HG12 VAL 44 HG12 VAL 44 -0.724 1.840 7.135 310 HG13 VAL 44 HG13 VAL 44 -1.974 3.084 7.048 311 HG21 VAL 44 HG21 VAL 44 -3.174 2.602 3.952 312 HG22 VAL 44 HG22 VAL 44 -2.047 3.957 4.006 313 HG23 VAL 44 HG23 VAL 44 -3.073 3.608 5.396 314 H THR 45 H THR 45 0.162 -0.197 4.273 315 HA THR 45 HA THR 45 1.965 -0.517 6.455 316 HB THR 45 HB THR 45 1.739 -2.306 4.028 317 HG1 THR 45 HG1 THR 45 0.177 -2.036 6.359 318 HG21 THR 45 HG21 THR 45 2.541 -2.841 6.897 319 HG22 THR 45 HG22 THR 45 3.632 -2.789 5.516 320 HG23 THR 45 HG23 THR 45 2.412 -4.055 5.627 321 H CYS 46 H CYS 46 2.574 -0.058 2.984 322 HA CYS 46 HA CYS 46 5.460 -0.377 3.404 323 HB2 CYS 46 HB3 CYS 46 3.770 0.258 0.985 324 HB3 CYS 46 HB2 CYS 46 5.535 0.251 0.935 325 H GLY 47 H GLY 47 3.404 2.110 4.072 326 HA2 GLY 47 HA3 GLY 47 3.922 4.314 4.707 327 HA3 GLY 47 HA2 GLY 47 5.597 4.005 4.253 328 H PHE 48 H PHE 48 2.734 3.705 2.163 329 HA PHE 48 HA PHE 48 3.936 5.836 0.443 330 HB2 PHE 48 HB3 PHE 48 1.976 3.654 -0.330 331 HB3 PHE 48 HB2 PHE 48 2.735 4.807 -1.422 332 HD1 PHE 48 HD1 PHE 48 5.457 4.626 0.313 333 HD2 PHE 48 HD2 PHE 48 2.920 1.796 -1.691 334 HE1 PHE 48 HE1 PHE 48 7.379 3.101 0.037 335 HE2 PHE 48 HE2 PHE 48 4.852 0.276 -1.967 336 HZ PHE 48 HZ PHE 48 7.077 0.922 -1.100 337 H CYS 49 H CYS 49 1.404 5.048 2.521 338 HA CYS 49 HA CYS 49 -0.092 7.470 1.610 339 HB2 CYS 49 HB3 CYS 49 -1.121 4.712 2.093 340 HB3 CYS 49 HB2 CYS 49 -2.110 6.056 2.668 341 H GLU 50 H GLU 50 -1.416 8.402 3.416 342 HA GLU 50 HA GLU 50 0.060 8.071 5.977 343 HB2 GLU 50 HB3 GLU 50 -1.726 10.316 5.011 344 HB3 GLU 50 HB2 GLU 50 -0.848 10.297 6.540 345 HG2 GLU 50 HG3 GLU 50 1.249 9.853 5.060 346 HG3 GLU 50 HG2 GLU 50 0.249 10.471 3.744 347 HA PRO 51 HA PRO 51 -3.486 5.634 7.365 348 HB2 PRO 51 HB3 PRO 51 -2.383 6.578 9.977 349 HB3 PRO 51 HB2 PRO 51 -2.865 4.947 9.481 350 HG2 PRO 51 HG3 PRO 51 -0.295 5.725 9.621 351 HG3 PRO 51 HG2 PRO 51 -0.877 4.527 8.454 352 HD2 PRO 51 HD3 PRO 51 0.034 7.298 7.986 353 HD3 PRO 51 HD2 PRO 51 -0.108 5.949 6.833 Start of MODEL 11 1 HA ASN 1 HA ASN 1 -6.094 25.246 0.716 2 HB2 ASN 1 HB3 ASN 1 -5.014 27.572 0.648 3 HB3 ASN 1 HB2 ASN 1 -6.047 27.894 -0.745 4 HD21 ASN 1 HD21 ASN 1 -6.986 29.593 0.829 5 HD22 ASN 1 HD22 ASN 1 -8.214 29.082 1.882 6 H ASP 2 H ASP 2 -6.179 23.882 -1.814 7 HA ASP 2 HA ASP 2 -8.399 25.020 -3.351 8 HB2 ASP 2 HB3 ASP 2 -6.558 23.687 -4.396 9 HB3 ASP 2 HB2 ASP 2 -7.163 22.263 -3.549 10 H ILE 3 H ILE 3 -10.526 24.552 -3.063 11 HA ILE 3 HA ILE 3 -11.341 22.962 -0.764 12 HB ILE 3 HB ILE 3 -13.009 24.170 -2.995 13 HG12 ILE 3 HG13 ILE 3 -12.453 25.225 -0.206 14 HG13 ILE 3 HG12 ILE 3 -11.601 25.779 -1.649 15 HG21 ILE 3 HG21 ILE 3 -14.532 22.758 -2.002 16 HG22 ILE 3 HG22 ILE 3 -14.633 24.087 -0.845 17 HG23 ILE 3 HG23 ILE 3 -13.629 22.682 -0.487 18 HD11 ILE 3 HD11 ILE 3 -14.542 26.052 -1.007 19 HD12 ILE 3 HD12 ILE 3 -13.914 26.268 -2.640 20 HD13 ILE 3 HD13 ILE 3 -13.378 27.333 -1.342 21 H ARG 4 H ARG 4 -10.340 22.090 -3.806 22 HA ARG 4 HA ARG 4 -12.303 20.021 -4.390 23 HB2 ARG 4 HB3 ARG 4 -9.474 20.426 -5.406 24 HB3 ARG 4 HB2 ARG 4 -10.606 19.234 -6.042 25 HG2 ARG 4 HG3 ARG 4 -12.201 21.102 -6.549 26 HG3 ARG 4 HG2 ARG 4 -10.950 22.245 -6.061 27 HD2 ARG 4 HD3 ARG 4 -10.849 22.001 -8.471 28 HD3 ARG 4 HD2 ARG 4 -9.432 21.212 -7.778 29 HE ARG 4 HE ARG 4 -11.574 19.315 -8.066 30 HH11 ARG 4 HH21 ARG 4 -9.226 21.157 -9.787 31 HH12 ARG 4 HH22 ARG 4 -9.091 20.020 -11.087 32 HH21 ARG 4 HH11 ARG 4 -11.415 17.819 -9.751 33 HH22 ARG 4 HH12 ARG 4 -10.332 18.127 -11.066 34 H THR 5 H THR 5 -10.200 20.300 -1.909 35 HA THR 5 HA THR 5 -9.065 17.619 -1.890 36 HB THR 5 HB THR 5 -8.304 19.841 -0.643 37 HG1 THR 5 HG1 THR 5 -6.938 18.304 -0.228 38 HG21 THR 5 HG21 THR 5 -9.841 18.471 1.560 39 HG22 THR 5 HG22 THR 5 -10.555 19.782 0.623 40 HG23 THR 5 HG23 THR 5 -9.095 20.067 1.570 41 H ALA 6 H ALA 6 -12.144 18.527 -1.754 42 HA ALA 6 HA ALA 6 -13.144 17.243 0.626 43 HB1 ALA 6 HB1 ALA 6 -14.347 18.903 -0.979 44 HB2 ALA 6 HB2 ALA 6 -15.293 17.586 -0.286 45 HB3 ALA 6 HB3 ALA 6 -14.703 17.471 -1.945 46 H ALA 7 H ALA 7 -11.533 15.968 -1.957 47 HA ALA 7 HA ALA 7 -13.006 13.649 -2.669 48 HB1 ALA 7 HB1 ALA 7 -10.422 14.680 -3.164 49 HB2 ALA 7 HB2 ALA 7 -11.175 13.283 -3.932 50 HB3 ALA 7 HB3 ALA 7 -10.182 13.069 -2.490 51 H ASP 8 H ASP 8 -13.019 11.538 -1.778 52 HA ASP 8 HA ASP 8 -12.335 11.464 1.108 53 HB2 ASP 8 HB3 ASP 8 -14.021 9.635 -0.625 54 HB3 ASP 8 HB2 ASP 8 -13.731 9.381 1.097 55 H MET 9 H MET 9 -10.689 10.848 -1.608 56 HA MET 9 HA MET 9 -9.679 8.185 -0.865 57 HB2 MET 9 HB3 MET 9 -9.068 10.085 -3.132 58 HB3 MET 9 HB2 MET 9 -8.111 8.630 -2.852 59 HG2 MET 9 HG3 MET 9 -10.995 8.121 -2.780 60 HG3 MET 9 HG2 MET 9 -10.448 8.751 -4.335 61 HE1 MET 9 HE1 MET 9 -8.871 5.010 -2.171 62 HE2 MET 9 HE2 MET 9 -10.065 6.161 -1.575 63 HE3 MET 9 HE3 MET 9 -8.374 6.644 -1.705 64 H GLU 10 H GLU 10 -9.263 10.997 0.517 65 HA GLU 10 HA GLU 10 -6.384 11.317 0.544 66 HB2 GLU 10 HB3 GLU 10 -7.990 13.148 1.110 67 HB3 GLU 10 HB2 GLU 10 -8.420 12.269 2.578 68 HG2 GLU 10 HG3 GLU 10 -6.049 12.361 3.307 69 HG3 GLU 10 HG2 GLU 10 -5.657 13.300 1.866 70 H HIS 11 H HIS 11 -8.586 9.193 2.121 71 HA HIS 11 HA HIS 11 -6.572 8.546 4.216 72 HB2 HIS 11 HB3 HIS 11 -9.464 7.679 3.907 73 HB3 HIS 11 HB2 HIS 11 -8.410 7.241 5.250 74 HD1 HIS 11 HD1 HIS 11 -10.405 10.070 3.853 75 HD2 HIS 11 HD2 HIS 11 -7.781 9.419 7.026 76 HE1 HIS 11 HE1 HIS 11 -10.621 12.078 5.385 77 HE2 HIS 11 HE2 HIS 11 -9.024 11.695 7.317 78 H CYS 12 H CYS 12 -5.302 6.813 3.902 79 HA CYS 12 HA CYS 12 -6.131 4.792 1.857 80 HB2 CYS 12 HB3 CYS 12 -3.372 5.472 2.914 81 HB3 CYS 12 HB2 CYS 12 -3.724 4.260 1.683 82 H ALA 13 H ALA 13 -5.980 2.568 2.419 83 HA ALA 13 HA ALA 13 -5.256 1.971 5.247 84 HB1 ALA 13 HB1 ALA 13 -7.284 1.034 5.781 85 HB2 ALA 13 HB2 ALA 13 -7.615 0.548 4.117 86 HB3 ALA 13 HB3 ALA 13 -7.853 2.224 4.610 87 H ASP 14 H ASP 14 -4.609 -0.254 5.581 88 HA ASP 14 HA ASP 14 -3.357 -1.430 3.227 89 HB2 ASP 14 HB3 ASP 14 -2.582 -3.178 4.794 90 HB3 ASP 14 HB2 ASP 14 -2.267 -1.567 5.438 91 H GLU 15 H GLU 15 -4.071 -3.215 2.063 92 HA GLU 15 HA GLU 15 -6.852 -3.811 2.030 93 HB2 GLU 15 HB3 GLU 15 -4.422 -4.886 0.743 94 HB3 GLU 15 HB2 GLU 15 -5.740 -6.043 0.903 95 HG2 GLU 15 HG3 GLU 15 -5.751 -4.635 -1.229 96 HG3 GLU 15 HG2 GLU 15 -7.252 -4.648 -0.306 97 H LYS 16 H LYS 16 -8.069 -5.437 2.999 98 HA LYS 16 HA LYS 16 -6.840 -6.737 5.337 99 HB2 LYS 16 HB3 LYS 16 -9.079 -7.359 5.957 100 HB3 LYS 16 HB2 LYS 16 -9.150 -5.697 5.376 101 HG2 LYS 16 HG3 LYS 16 -9.837 -6.550 3.132 102 HG3 LYS 16 HG2 LYS 16 -9.869 -8.184 3.796 103 HD2 LYS 16 HD3 LYS 16 -11.497 -7.347 5.538 104 HD3 LYS 16 HD2 LYS 16 -11.583 -5.835 4.636 105 HE2 LYS 16 HE3 LYS 16 -11.921 -8.128 2.879 106 HE3 LYS 16 HE2 LYS 16 -13.117 -8.134 4.175 107 HZ1 LYS 16 HZ1 LYS 16 -12.627 -6.082 2.120 108 HZ2 LYS 16 HZ2 LYS 16 -13.362 -5.658 3.590 109 HZ3 LYS 16 HZ3 LYS 16 -14.089 -6.809 2.575 110 H ASN 17 H ASN 17 -7.823 -7.551 2.095 111 HA ASN 17 HA ASN 17 -7.739 -10.448 2.624 112 HB2 ASN 17 HB3 ASN 17 -7.958 -8.940 0.001 113 HB3 ASN 17 HB2 ASN 17 -8.228 -10.669 0.231 114 HD21 ASN 17 HD21 ASN 17 -9.884 -7.783 -0.033 115 HD22 ASN 17 HD22 ASN 17 -11.289 -8.193 0.828 116 H PHE 18 H PHE 18 -5.446 -8.076 2.216 117 HA PHE 18 HA PHE 18 -3.556 -9.982 0.896 118 HB2 PHE 18 HB3 PHE 18 -3.947 -7.742 -0.232 119 HB3 PHE 18 HB2 PHE 18 -3.202 -6.988 1.181 120 HD1 PHE 18 HD1 PHE 18 -0.828 -7.295 1.678 121 HD2 PHE 18 HD2 PHE 18 -2.639 -9.123 -1.757 122 HE1 PHE 18 HE1 PHE 18 1.417 -7.787 0.753 123 HE2 PHE 18 HE2 PHE 18 -0.393 -9.620 -2.681 124 HZ PHE 18 HZ PHE 18 1.637 -8.952 -1.425 125 H ASP 19 H ASP 19 -1.837 -10.690 2.106 126 HA ASP 19 HA ASP 19 -1.704 -9.892 4.917 127 HB2 ASP 19 HB3 ASP 19 0.047 -11.749 3.276 128 HB3 ASP 19 HB2 ASP 19 0.132 -11.558 5.029 129 H CYS 20 H CYS 20 -1.134 -7.641 4.645 130 HA CYS 20 HA CYS 20 1.243 -6.830 3.215 131 HB2 CYS 20 HB3 CYS 20 -0.149 -5.336 5.453 132 HB3 CYS 20 HB2 CYS 20 0.837 -4.658 4.157 133 H ARG 21 H ARG 21 0.547 -7.685 6.579 134 HA ARG 21 HA ARG 21 2.987 -6.810 7.746 135 HB2 ARG 21 HB3 ARG 21 0.844 -7.796 8.846 136 HB3 ARG 21 HB2 ARG 21 1.597 -9.362 8.554 137 HG2 ARG 21 HG3 ARG 21 2.814 -7.075 10.135 138 HG3 ARG 21 HG2 ARG 21 2.141 -8.555 10.814 139 HD2 ARG 21 HD3 ARG 21 3.849 -9.781 9.292 140 HD3 ARG 21 HD2 ARG 21 4.639 -8.211 9.168 141 HE ARG 21 HE ARG 21 5.331 -8.420 11.418 142 HH11 ARG 21 HH21 ARG 21 2.915 -10.719 10.547 143 HH12 ARG 21 HH22 ARG 21 3.069 -11.632 12.009 144 HH21 ARG 21 HH11 ARG 21 5.544 -9.596 13.332 145 HH22 ARG 21 HH12 ARG 21 4.558 -10.998 13.587 146 H ARG 22 H ARG 22 2.111 -9.963 6.321 147 HA ARG 22 HA ARG 22 4.728 -11.105 6.648 148 HB2 ARG 22 HB3 ARG 22 3.227 -12.793 6.283 149 HB3 ARG 22 HB2 ARG 22 2.230 -11.809 5.216 150 HG2 ARG 22 HG3 ARG 22 3.804 -12.079 3.394 151 HG3 ARG 22 HG2 ARG 22 4.939 -12.912 4.452 152 HD2 ARG 22 HD3 ARG 22 2.163 -13.879 3.717 153 HD3 ARG 22 HD2 ARG 22 3.679 -14.531 3.091 154 HE ARG 22 HE ARG 22 4.015 -14.809 5.789 155 HH11 ARG 22 HH21 ARG 22 1.447 -15.528 3.603 156 HH12 ARG 22 HH22 ARG 22 0.868 -16.879 4.520 157 HH21 ARG 22 HH11 ARG 22 3.272 -16.561 7.001 158 HH22 ARG 22 HH12 ARG 22 1.901 -17.463 6.446 159 H SER 23 H SER 23 3.089 -9.571 3.888 160 HA SER 23 HA SER 23 5.253 -9.845 2.049 161 HB2 SER 23 HB3 SER 23 3.058 -7.768 2.231 162 HB3 SER 23 HB2 SER 23 4.141 -7.937 0.855 163 HG SER 23 HG SER 23 2.672 -10.126 1.864 164 H LEU 24 H LEU 24 4.507 -7.426 4.514 165 HA LEU 24 HA LEU 24 6.502 -5.518 3.755 166 HB2 LEU 24 HB3 LEU 24 4.681 -4.940 5.278 167 HB3 LEU 24 HB2 LEU 24 5.276 -6.102 6.463 168 HG LEU 24 HG LEU 24 7.456 -4.808 6.488 169 HD11 LEU 24 HD11 LEU 24 7.100 -2.365 5.720 170 HD12 LEU 24 HD12 LEU 24 5.765 -3.004 4.760 171 HD13 LEU 24 HD13 LEU 24 7.408 -3.572 4.473 172 HD21 LEU 24 HD21 LEU 24 6.109 -4.423 8.361 173 HD22 LEU 24 HD22 LEU 24 4.813 -3.706 7.403 174 HD23 LEU 24 HD23 LEU 24 6.291 -2.794 7.706 175 H ARG 25 H ARG 25 6.600 -8.172 6.169 176 HA ARG 25 HA ARG 25 9.353 -7.648 6.868 177 HB2 ARG 25 HB3 ARG 25 9.278 -9.841 7.990 178 HB3 ARG 25 HB2 ARG 25 7.840 -8.895 8.373 179 HG2 ARG 25 HG3 ARG 25 6.648 -10.090 6.521 180 HG3 ARG 25 HG2 ARG 25 8.056 -11.136 6.347 181 HD2 ARG 25 HD3 ARG 25 7.814 -11.753 8.771 182 HD3 ARG 25 HD2 ARG 25 6.315 -10.824 8.812 183 HE ARG 25 HE ARG 25 5.262 -12.620 7.714 184 HH11 ARG 25 HH21 ARG 25 8.682 -12.689 7.286 185 HH12 ARG 25 HH22 ARG 25 8.681 -14.212 6.461 186 HH21 ARG 25 HH11 ARG 25 5.242 -14.609 6.638 187 HH22 ARG 25 HH12 ARG 25 6.735 -15.300 6.095 188 H ASN 26 H ASN 26 7.824 -9.225 4.223 189 HA ASN 26 HA ASN 26 10.144 -10.872 3.512 190 HB2 ASN 26 HB3 ASN 26 7.614 -10.144 2.010 191 HB3 ASN 26 HB2 ASN 26 8.840 -11.259 1.406 192 HD21 ASN 26 HD21 ASN 26 6.045 -11.959 2.073 193 HD22 ASN 26 HD22 ASN 26 6.124 -13.117 3.311 194 H GLY 27 H GLY 27 9.553 -7.625 3.432 195 HA2 GLY 27 HA3 GLY 27 10.882 -5.926 2.451 196 HA3 GLY 27 HA2 GLY 27 11.713 -7.167 1.509 197 H ASP 28 H ASP 28 8.234 -7.107 1.502 198 HA ASP 28 HA ASP 28 8.064 -6.944 -1.337 199 HB2 ASP 28 HB3 ASP 28 6.258 -7.791 0.199 200 HB3 ASP 28 HB2 ASP 28 5.919 -6.117 0.642 201 H CYS 29 H CYS 29 7.812 -4.438 1.170 202 HA CYS 29 HA CYS 29 7.147 -2.288 -0.614 203 HB2 CYS 29 HB3 CYS 29 8.733 -2.064 1.960 204 HB3 CYS 29 HB2 CYS 29 7.730 -0.825 1.210 205 H ASP 30 H ASP 30 10.063 -4.017 0.024 206 HA ASP 30 HA ASP 30 11.764 -1.890 -1.154 207 HB2 ASP 30 HB3 ASP 30 12.417 -4.580 0.083 208 HB3 ASP 30 HB2 ASP 30 13.624 -3.474 -0.577 209 H ASN 31 H ASN 31 9.861 -4.360 -2.315 210 HA ASN 31 HA ASN 31 11.764 -5.123 -4.466 211 HB2 ASN 31 HB3 ASN 31 10.376 -6.855 -3.227 212 HB3 ASN 31 HB2 ASN 31 8.958 -6.159 -4.007 213 HD21 ASN 31 HD21 ASN 31 9.378 -8.752 -4.679 214 HD22 ASN 31 HD22 ASN 31 10.059 -8.899 -6.230 215 H ASP 32 H ASP 32 11.748 -3.781 -6.188 216 HA ASP 32 HA ASP 32 9.791 -1.819 -6.743 217 HB2 ASP 32 HB3 ASP 32 11.728 -3.215 -8.609 218 HB3 ASP 32 HB2 ASP 32 10.795 -1.783 -9.044 219 H ASP 33 H ASP 33 10.005 -5.187 -7.742 220 HA ASP 33 HA ASP 33 7.912 -5.066 -9.710 221 HB2 ASP 33 HB3 ASP 33 9.636 -6.919 -9.406 222 HB3 ASP 33 HB2 ASP 33 8.656 -7.489 -8.055 223 H LYS 34 H LYS 34 7.886 -5.191 -6.225 224 HA LYS 34 HA LYS 34 4.958 -5.783 -6.289 225 HB2 LYS 34 HB3 LYS 34 6.772 -5.828 -3.869 226 HB3 LYS 34 HB2 LYS 34 5.148 -6.502 -4.016 227 HG2 LYS 34 HG3 LYS 34 6.073 -8.012 -5.845 228 HG3 LYS 34 HG2 LYS 34 7.678 -7.473 -5.354 229 HD2 LYS 34 HD3 LYS 34 7.209 -8.241 -3.038 230 HD3 LYS 34 HD2 LYS 34 5.648 -8.860 -3.581 231 HE2 LYS 34 HE3 LYS 34 7.626 -9.845 -5.379 232 HE3 LYS 34 HE2 LYS 34 8.212 -10.132 -3.740 233 HZ1 LYS 34 HZ1 LYS 34 6.888 -11.977 -4.311 234 HZ2 LYS 34 HZ2 LYS 34 5.642 -11.002 -4.929 235 HZ3 LYS 34 HZ3 LYS 34 5.939 -11.044 -3.257 236 H LEU 35 H LEU 35 7.053 -3.208 -6.158 237 HA LEU 35 HA LEU 35 6.088 -1.618 -4.031 238 HB2 LEU 35 HB3 LEU 35 7.286 -1.008 -6.707 239 HB3 LEU 35 HB2 LEU 35 6.608 0.314 -5.756 240 HG LEU 35 HG LEU 35 8.707 -1.646 -4.773 241 HD11 LEU 35 HD11 LEU 35 10.327 -0.091 -5.279 242 HD12 LEU 35 HD12 LEU 35 9.230 1.273 -5.066 243 HD13 LEU 35 HD13 LEU 35 9.175 0.321 -6.550 244 HD21 LEU 35 HD21 LEU 35 8.739 0.526 -3.105 245 HD22 LEU 35 HD22 LEU 35 7.858 -0.964 -2.770 246 HD23 LEU 35 HD23 LEU 35 7.022 0.413 -3.487 247 H LEU 36 H LEU 36 4.813 -1.963 -7.348 248 HA LEU 36 HA LEU 36 2.678 -0.072 -6.992 249 HB2 LEU 36 HB3 LEU 36 3.440 -0.932 -9.219 250 HB3 LEU 36 HB2 LEU 36 2.732 -2.498 -8.816 251 HG LEU 36 HG LEU 36 0.931 -0.176 -8.446 252 HD11 LEU 36 HD11 LEU 36 0.430 -0.114 -10.911 253 HD12 LEU 36 HD12 LEU 36 1.891 -1.066 -11.182 254 HD13 LEU 36 HD13 LEU 36 2.009 0.553 -10.495 255 HD21 LEU 36 HD21 LEU 36 0.681 -2.879 -9.810 256 HD22 LEU 36 HD22 LEU 36 -0.652 -1.762 -9.521 257 HD23 LEU 36 HD23 LEU 36 0.185 -2.506 -8.160 258 H GLU 37 H GLU 37 2.938 -3.573 -6.485 259 HA GLU 37 HA GLU 37 0.208 -4.086 -5.893 260 HB2 GLU 37 HB3 GLU 37 2.664 -5.402 -4.687 261 HB3 GLU 37 HB2 GLU 37 1.035 -6.080 -4.711 262 HG2 GLU 37 HG3 GLU 37 1.100 -5.966 -7.223 263 HG3 GLU 37 HG2 GLU 37 2.792 -5.479 -7.105 264 H MET 38 H MET 38 2.874 -2.968 -3.838 265 HA MET 38 HA MET 38 1.349 -3.033 -1.387 266 HB2 MET 38 HB3 MET 38 3.833 -1.516 -2.200 267 HB3 MET 38 HB2 MET 38 3.184 -1.527 -0.561 268 HG2 MET 38 HG3 MET 38 3.934 -4.016 -2.115 269 HG3 MET 38 HG2 MET 38 4.990 -3.240 -0.938 270 HE1 MET 38 HE1 MET 38 2.864 -6.379 -1.031 271 HE2 MET 38 HE2 MET 38 2.021 -5.078 -1.869 272 HE3 MET 38 HE3 MET 38 1.318 -5.784 -0.417 273 H GLY 39 H GLY 39 2.167 -0.408 -3.673 274 HA2 GLY 39 HA3 GLY 39 0.835 1.684 -2.298 275 HA3 GLY 39 HA2 GLY 39 1.060 1.635 -4.050 276 H TYR 40 H TYR 40 -0.342 -0.965 -4.221 277 HA TYR 40 HA TYR 40 -3.096 0.119 -4.258 278 HB2 TYR 40 HB3 TYR 40 -2.318 -0.927 -6.308 279 HB3 TYR 40 HB2 TYR 40 -1.858 -2.386 -5.432 280 HD1 TYR 40 HD1 TYR 40 -3.594 -3.837 -4.412 281 HD2 TYR 40 HD2 TYR 40 -4.609 -0.506 -6.916 282 HE1 TYR 40 HE1 TYR 40 -5.877 -4.757 -4.696 283 HE2 TYR 40 HE2 TYR 40 -6.899 -1.418 -7.199 284 HH TYR 40 HH TYR 40 -8.426 -3.035 -5.727 285 H TYR 41 H TYR 41 -1.517 -2.948 -3.262 286 HA TYR 41 HA TYR 41 -3.824 -3.726 -1.685 287 HB2 TYR 41 HB3 TYR 41 -1.038 -4.876 -1.927 288 HB3 TYR 41 HB2 TYR 41 -2.297 -5.589 -0.924 289 HD1 TYR 41 HD1 TYR 41 -4.481 -6.304 -2.008 290 HD2 TYR 41 HD2 TYR 41 -1.001 -5.230 -4.280 291 HE1 TYR 41 HE1 TYR 41 -5.428 -7.441 -3.997 292 HE2 TYR 41 HE2 TYR 41 -1.944 -6.368 -6.268 293 HH TYR 41 HH TYR 41 -4.700 -8.418 -6.073 294 H CYS 42 H CYS 42 -0.552 -2.501 -0.853 295 HA CYS 42 HA CYS 42 -1.692 -1.834 1.815 296 HB2 CYS 42 HB3 CYS 42 1.078 -2.970 1.596 297 HB3 CYS 42 HB2 CYS 42 0.026 -2.868 3.008 298 HA PRO 43 HA PRO 43 0.792 1.676 -0.054 299 HB2 PRO 43 HB3 PRO 43 -1.109 3.587 0.475 300 HB3 PRO 43 HB2 PRO 43 -1.060 2.650 -1.032 301 HG2 PRO 43 HG3 PRO 43 -2.743 2.242 1.397 302 HG3 PRO 43 HG2 PRO 43 -3.192 2.127 -0.314 303 HD2 PRO 43 HD3 PRO 43 -2.704 -0.077 1.185 304 HD3 PRO 43 HD2 PRO 43 -2.294 -0.012 -0.543 305 H VAL 44 H VAL 44 -1.158 1.423 2.883 306 HA VAL 44 HA VAL 44 0.324 3.483 4.315 307 HB VAL 44 HB VAL 44 -1.632 1.354 5.221 308 HG11 VAL 44 HG11 VAL 44 0.011 3.337 6.719 309 HG12 VAL 44 HG12 VAL 44 -0.599 1.763 7.231 310 HG13 VAL 44 HG13 VAL 44 -1.673 3.161 7.210 311 HG21 VAL 44 HG21 VAL 44 -2.040 4.342 5.144 312 HG22 VAL 44 HG22 VAL 44 -3.256 3.067 5.181 313 HG23 VAL 44 HG23 VAL 44 -2.325 3.354 3.713 314 H THR 45 H THR 45 0.252 -0.071 4.332 315 HA THR 45 HA THR 45 2.099 -0.491 6.437 316 HB THR 45 HB THR 45 1.811 -2.213 3.968 317 HG1 THR 45 HG1 THR 45 -0.195 -1.625 5.046 318 HG21 THR 45 HG21 THR 45 3.640 -2.903 5.369 319 HG22 THR 45 HG22 THR 45 2.305 -4.014 5.663 320 HG23 THR 45 HG23 THR 45 2.662 -2.735 6.824 321 H CYS 46 H CYS 46 2.696 0.039 2.962 322 HA CYS 46 HA CYS 46 5.585 -0.314 3.389 323 HB2 CYS 46 HB3 CYS 46 3.909 0.343 0.967 324 HB3 CYS 46 HB2 CYS 46 5.673 0.346 0.923 325 H GLY 47 H GLY 47 3.537 2.190 4.035 326 HA2 GLY 47 HA3 GLY 47 4.088 4.389 4.686 327 HA3 GLY 47 HA2 GLY 47 5.757 4.058 4.227 328 H PHE 48 H PHE 48 2.924 3.741 2.103 329 HA PHE 48 HA PHE 48 4.156 5.849 0.380 330 HB2 PHE 48 HB3 PHE 48 2.140 3.706 -0.359 331 HB3 PHE 48 HB2 PHE 48 2.895 4.844 -1.470 332 HD1 PHE 48 HD2 PHE 48 5.641 4.589 0.249 333 HD2 PHE 48 HD1 PHE 48 3.018 1.856 -1.773 334 HE1 PHE 48 HE2 PHE 48 7.525 3.024 -0.077 335 HE2 PHE 48 HE1 PHE 48 4.910 0.296 -2.101 336 HZ PHE 48 HZ PHE 48 7.163 0.874 -1.253 337 H CYS 49 H CYS 49 1.614 5.197 2.483 338 HA CYS 49 HA CYS 49 0.356 7.760 1.796 339 HB2 CYS 49 HB3 CYS 49 -0.732 5.829 0.419 340 HB3 CYS 49 HB2 CYS 49 -1.458 5.368 1.957 341 H GLU 50 H GLU 50 -1.600 8.055 3.424 342 HA GLU 50 HA GLU 50 -0.574 7.181 6.081 343 HB2 GLU 50 HB3 GLU 50 -2.255 9.515 5.165 344 HB3 GLU 50 HB2 GLU 50 -2.173 9.057 6.868 345 HG2 GLU 50 HG3 GLU 50 -0.485 10.751 6.446 346 HG3 GLU 50 HG2 GLU 50 0.328 9.212 6.728 347 HA PRO 51 HA PRO 51 -4.042 4.527 6.719 348 HB2 PRO 51 HB3 PRO 51 -4.475 4.917 9.417 349 HB3 PRO 51 HB2 PRO 51 -3.201 3.881 8.745 350 HG2 PRO 51 HG3 PRO 51 -3.027 6.649 9.812 351 HG3 PRO 51 HG2 PRO 51 -1.879 5.305 9.952 352 HD2 PRO 51 HD3 PRO 51 -1.506 7.365 8.206 353 HD3 PRO 51 HD2 PRO 51 -0.936 5.713 7.872 Start of MODEL 12 1 HA ASN 1 HA ASN 1 -28.315 14.630 2.334 2 HB2 ASN 1 HB3 ASN 1 -28.042 17.114 1.684 3 HB3 ASN 1 HB2 ASN 1 -26.732 17.145 2.866 4 HD21 ASN 1 HD21 ASN 1 -25.681 17.613 0.500 5 HD22 ASN 1 HD22 ASN 1 -25.029 16.235 -0.248 6 H ASP 2 H ASP 2 -26.837 13.156 3.048 7 HA ASP 2 HA ASP 2 -25.965 13.270 5.825 8 HB2 ASP 2 HB3 ASP 2 -26.519 11.124 4.706 9 HB3 ASP 2 HB2 ASP 2 -25.141 11.349 3.627 10 H ILE 3 H ILE 3 -24.068 14.071 6.567 11 HA ILE 3 HA ILE 3 -22.307 15.512 4.784 12 HB ILE 3 HB ILE 3 -21.920 14.745 7.691 13 HG12 ILE 3 HG13 ILE 3 -22.972 17.317 6.475 14 HG13 ILE 3 HG12 ILE 3 -24.001 16.056 7.158 15 HG21 ILE 3 HG21 ILE 3 -19.860 15.622 7.357 16 HG22 ILE 3 HG22 ILE 3 -20.668 17.176 7.152 17 HG23 ILE 3 HG23 ILE 3 -20.287 16.188 5.742 18 HD11 ILE 3 HD11 ILE 3 -23.590 16.753 9.259 19 HD12 ILE 3 HD12 ILE 3 -22.804 18.168 8.559 20 HD13 ILE 3 HD13 ILE 3 -21.850 16.745 8.981 21 H ARG 4 H ARG 4 -22.579 12.256 5.252 22 HA ARG 4 HA ARG 4 -19.735 11.600 5.424 23 HB2 ARG 4 HB3 ARG 4 -22.148 9.896 4.736 24 HB3 ARG 4 HB2 ARG 4 -20.514 9.273 4.965 25 HG2 ARG 4 HG3 ARG 4 -20.502 10.214 7.265 26 HG3 ARG 4 HG2 ARG 4 -22.168 10.746 7.037 27 HD2 ARG 4 HD3 ARG 4 -22.783 8.347 6.554 28 HD3 ARG 4 HD2 ARG 4 -21.145 7.894 7.022 29 HE ARG 4 HE ARG 4 -22.008 9.342 9.192 30 HH11 ARG 4 HH21 ARG 4 -23.312 6.764 7.312 31 HH12 ARG 4 HH22 ARG 4 -24.182 6.062 8.635 32 HH21 ARG 4 HH11 ARG 4 -23.139 8.446 10.928 33 HH22 ARG 4 HH12 ARG 4 -24.084 7.015 10.683 34 H THR 5 H THR 5 -21.533 12.958 3.035 35 HA THR 5 HA THR 5 -20.543 11.412 0.765 36 HB THR 5 HB THR 5 -22.695 12.864 0.872 37 HG1 THR 5 HG1 THR 5 -22.582 13.051 -1.284 38 HG21 THR 5 HG21 THR 5 -20.819 15.053 0.006 39 HG22 THR 5 HG22 THR 5 -21.243 14.849 1.705 40 HG23 THR 5 HG23 THR 5 -22.501 15.179 0.516 41 H ALA 6 H ALA 6 -19.095 13.422 2.924 42 HA ALA 6 HA ALA 6 -17.459 15.037 1.142 43 HB1 ALA 6 HB1 ALA 6 -17.486 16.044 3.209 44 HB2 ALA 6 HB2 ALA 6 -16.055 15.040 3.445 45 HB3 ALA 6 HB3 ALA 6 -17.616 14.508 4.067 46 H ALA 7 H ALA 7 -17.540 11.785 1.632 47 HA ALA 7 HA ALA 7 -14.867 11.000 2.096 48 HB1 ALA 7 HB1 ALA 7 -16.831 9.678 0.203 49 HB2 ALA 7 HB2 ALA 7 -16.814 9.441 1.952 50 HB3 ALA 7 HB3 ALA 7 -15.443 8.914 0.975 51 H ASP 8 H ASP 8 -13.084 10.741 0.756 52 HA ASP 8 HA ASP 8 -13.312 11.411 -2.113 53 HB2 ASP 8 HB3 ASP 8 -11.552 13.113 -1.991 54 HB3 ASP 8 HB2 ASP 8 -12.896 13.576 -0.947 55 H MET 9 H MET 9 -12.469 9.239 -0.035 56 HA MET 9 HA MET 9 -10.888 7.532 0.072 57 HB2 MET 9 HB3 MET 9 -10.489 8.448 -2.783 58 HB3 MET 9 HB2 MET 9 -9.691 7.030 -2.104 59 HG2 MET 9 HG3 MET 9 -12.666 7.487 -2.442 60 HG3 MET 9 HG2 MET 9 -11.676 6.248 -3.212 61 HE1 MET 9 HE1 MET 9 -10.078 4.833 -1.787 62 HE2 MET 9 HE2 MET 9 -10.511 4.073 -0.260 63 HE3 MET 9 HE3 MET 9 -9.824 5.694 -0.262 64 H GLU 10 H GLU 10 -10.100 10.481 0.548 65 HA GLU 10 HA GLU 10 -7.288 10.629 -0.119 66 HB2 GLU 10 HB3 GLU 10 -8.731 12.610 0.476 67 HB3 GLU 10 HB2 GLU 10 -8.741 12.036 2.144 68 HG2 GLU 10 HG3 GLU 10 -6.249 12.147 2.157 69 HG3 GLU 10 HG2 GLU 10 -6.296 12.828 0.531 70 H HIS 11 H HIS 11 -9.018 8.702 2.019 71 HA HIS 11 HA HIS 11 -6.738 8.450 3.913 72 HB2 HIS 11 HB3 HIS 11 -9.559 7.336 4.032 73 HB3 HIS 11 HB2 HIS 11 -8.329 7.111 5.275 74 HD1 HIS 11 HD1 HIS 11 -10.860 9.504 4.063 75 HD2 HIS 11 HD2 HIS 11 -7.531 9.628 6.574 76 HE1 HIS 11 HE1 HIS 11 -11.031 11.665 5.378 77 HE2 HIS 11 HE2 HIS 11 -9.009 11.750 6.905 78 H CYS 12 H CYS 12 -5.328 6.833 3.536 79 HA CYS 12 HA CYS 12 -6.134 4.625 1.713 80 HB2 CYS 12 HB3 CYS 12 -3.392 5.383 2.759 81 HB3 CYS 12 HB2 CYS 12 -3.733 4.192 1.506 82 H ALA 13 H ALA 13 -6.045 2.469 2.395 83 HA ALA 13 HA ALA 13 -5.208 1.976 5.215 84 HB1 ALA 13 HB1 ALA 13 -7.246 1.202 5.883 85 HB2 ALA 13 HB2 ALA 13 -7.608 0.498 4.307 86 HB3 ALA 13 HB3 ALA 13 -7.841 2.227 4.578 87 H ASP 14 H ASP 14 -4.540 -0.226 5.603 88 HA ASP 14 HA ASP 14 -3.353 -1.510 3.301 89 HB2 ASP 14 HB3 ASP 14 -3.726 -2.449 6.158 90 HB3 ASP 14 HB2 ASP 14 -2.800 -3.334 4.945 91 H GLU 15 H GLU 15 -4.088 -3.284 2.139 92 HA GLU 15 HA GLU 15 -6.888 -3.815 2.057 93 HB2 GLU 15 HB3 GLU 15 -4.457 -4.923 0.789 94 HB3 GLU 15 HB2 GLU 15 -5.806 -6.049 0.913 95 HG2 GLU 15 HG3 GLU 15 -5.751 -4.621 -1.197 96 HG3 GLU 15 HG2 GLU 15 -7.262 -4.591 -0.291 97 H LYS 16 H LYS 16 -8.125 -5.427 2.987 98 HA LYS 16 HA LYS 16 -6.977 -6.738 5.353 99 HB2 LYS 16 HB3 LYS 16 -9.275 -7.393 5.833 100 HB3 LYS 16 HB2 LYS 16 -9.234 -5.684 5.399 101 HG2 LYS 16 HG3 LYS 16 -9.831 -6.318 3.051 102 HG3 LYS 16 HG2 LYS 16 -10.008 -7.990 3.589 103 HD2 LYS 16 HD3 LYS 16 -11.668 -7.148 5.310 104 HD3 LYS 16 HD2 LYS 16 -11.617 -5.590 4.486 105 HE2 LYS 16 HE3 LYS 16 -12.217 -8.154 3.004 106 HE3 LYS 16 HE2 LYS 16 -13.487 -7.204 3.775 107 HZ1 LYS 16 HZ1 LYS 16 -11.572 -5.856 2.006 108 HZ2 LYS 16 HZ2 LYS 16 -13.192 -5.466 2.346 109 HZ3 LYS 16 HZ3 LYS 16 -12.825 -6.763 1.313 110 H ASN 17 H ASN 17 -7.861 -7.563 2.091 111 HA ASN 17 HA ASN 17 -7.822 -10.455 2.655 112 HB2 ASN 17 HB3 ASN 17 -8.042 -8.959 0.026 113 HB3 ASN 17 HB2 ASN 17 -8.313 -10.687 0.260 114 HD21 ASN 17 HD21 ASN 17 -10.024 -7.909 -0.132 115 HD22 ASN 17 HD22 ASN 17 -11.398 -8.265 0.799 116 H PHE 18 H PHE 18 -5.523 -8.104 2.224 117 HA PHE 18 HA PHE 18 -3.626 -10.015 0.917 118 HB2 PHE 18 HB3 PHE 18 -4.028 -7.774 -0.207 119 HB3 PHE 18 HB2 PHE 18 -3.284 -7.020 1.203 120 HD1 PHE 18 HD2 PHE 18 -2.717 -9.167 -1.733 121 HD2 PHE 18 HD1 PHE 18 -0.902 -7.285 1.671 122 HE1 PHE 18 HE2 PHE 18 -0.472 -9.633 -2.677 123 HE2 PHE 18 HE1 PHE 18 1.342 -7.743 0.728 124 HZ PHE 18 HZ PHE 18 1.561 -8.922 -1.445 125 H ASP 19 H ASP 19 -1.829 -10.648 2.085 126 HA ASP 19 HA ASP 19 -1.732 -9.897 4.923 127 HB2 ASP 19 HB3 ASP 19 0.092 -11.699 3.296 128 HB3 ASP 19 HB2 ASP 19 0.080 -11.557 5.054 129 H CYS 20 H CYS 20 -1.156 -7.626 4.676 130 HA CYS 20 HA CYS 20 1.212 -6.784 3.254 131 HB2 CYS 20 HB3 CYS 20 -0.079 -5.366 5.598 132 HB3 CYS 20 HB2 CYS 20 0.852 -4.650 4.281 133 H ARG 21 H ARG 21 0.546 -7.728 6.588 134 HA ARG 21 HA ARG 21 3.009 -6.960 7.767 135 HB2 ARG 21 HB3 ARG 21 0.805 -7.968 8.786 136 HB3 ARG 21 HB2 ARG 21 1.616 -9.512 8.529 137 HG2 ARG 21 HG3 ARG 21 2.631 -7.175 10.172 138 HG3 ARG 21 HG2 ARG 21 2.123 -8.751 10.777 139 HD2 ARG 21 HD3 ARG 21 3.964 -9.737 9.283 140 HD3 ARG 21 HD2 ARG 21 4.559 -8.082 9.132 141 HE ARG 21 HE ARG 21 4.146 -9.140 11.871 142 HH11 ARG 21 HH21 ARG 21 6.219 -8.243 9.258 143 HH12 ARG 21 HH22 ARG 21 7.624 -8.087 10.258 144 HH21 ARG 21 HH11 ARG 21 5.968 -8.930 13.184 145 HH22 ARG 21 HH12 ARG 21 7.483 -8.477 12.479 146 H ARG 22 H ARG 22 2.069 -10.009 6.161 147 HA ARG 22 HA ARG 22 4.671 -11.228 6.480 148 HB2 ARG 22 HB3 ARG 22 3.086 -12.851 6.053 149 HB3 ARG 22 HB2 ARG 22 2.185 -11.821 4.944 150 HG2 ARG 22 HG3 ARG 22 3.733 -12.178 3.180 151 HG3 ARG 22 HG2 ARG 22 4.930 -12.870 4.274 152 HD2 ARG 22 HD3 ARG 22 3.415 -14.783 4.704 153 HD3 ARG 22 HD2 ARG 22 2.240 -14.094 3.582 154 HE ARG 22 HE ARG 22 4.916 -14.552 2.452 155 HH11 ARG 22 HH21 ARG 22 1.711 -15.673 3.036 156 HH12 ARG 22 HH22 ARG 22 1.731 -16.821 1.739 157 HH21 ARG 22 HH11 ARG 22 4.963 -16.040 0.752 158 HH22 ARG 22 HH12 ARG 22 3.574 -17.028 0.446 159 H SER 23 H SER 23 3.064 -9.512 3.823 160 HA SER 23 HA SER 23 5.226 -9.749 1.968 161 HB2 SER 23 HB3 SER 23 3.043 -7.666 2.217 162 HB3 SER 23 HB2 SER 23 4.126 -7.806 0.834 163 HG SER 23 HG SER 23 2.426 -9.852 1.834 164 H LEU 24 H LEU 24 4.505 -7.379 4.508 165 HA LEU 24 HA LEU 24 6.517 -5.475 3.794 166 HB2 LEU 24 HB3 LEU 24 4.744 -4.950 5.408 167 HB3 LEU 24 HB2 LEU 24 5.386 -6.151 6.526 168 HG LEU 24 HG LEU 24 7.585 -4.854 6.454 169 HD11 LEU 24 HD11 LEU 24 7.003 -2.334 5.906 170 HD12 LEU 24 HD12 LEU 24 5.796 -3.067 4.853 171 HD13 LEU 24 HD13 LEU 24 7.504 -3.435 4.624 172 HD21 LEU 24 HD21 LEU 24 6.587 -2.974 7.927 173 HD22 LEU 24 HD22 LEU 24 6.303 -4.640 8.432 174 HD23 LEU 24 HD23 LEU 24 5.028 -3.740 7.610 175 H ARG 25 H ARG 25 6.642 -8.193 6.134 176 HA ARG 25 HA ARG 25 9.414 -7.750 6.778 177 HB2 ARG 25 HB3 ARG 25 9.334 -9.964 7.825 178 HB3 ARG 25 HB2 ARG 25 7.888 -9.047 8.245 179 HG2 ARG 25 HG3 ARG 25 6.704 -10.184 6.344 180 HG3 ARG 25 HG2 ARG 25 8.124 -11.208 6.137 181 HD2 ARG 25 HD3 ARG 25 7.886 -11.933 8.516 182 HD3 ARG 25 HD2 ARG 25 6.392 -11.000 8.615 183 HE ARG 25 HE ARG 25 6.485 -12.966 6.432 184 HH11 ARG 25 HH21 ARG 25 5.647 -12.199 9.688 185 HH12 ARG 25 HH22 ARG 25 4.429 -13.425 9.801 186 HH21 ARG 25 HH11 ARG 25 4.904 -14.571 6.565 187 HH22 ARG 25 HH12 ARG 25 4.009 -14.768 8.035 188 H ASN 26 H ASN 26 7.779 -9.324 4.165 189 HA ASN 26 HA ASN 26 10.062 -10.928 3.313 190 HB2 ASN 26 HB3 ASN 26 7.519 -10.069 1.900 191 HB3 ASN 26 HB2 ASN 26 8.708 -11.167 1.202 192 HD21 ASN 26 HD21 ASN 26 5.954 -11.914 1.826 193 HD22 ASN 26 HD22 ASN 26 6.020 -13.116 3.022 194 H GLY 27 H GLY 27 9.515 -7.667 3.383 195 HA2 GLY 27 HA3 GLY 27 10.849 -5.940 2.459 196 HA3 GLY 27 HA2 GLY 27 11.679 -7.155 1.481 197 H ASP 28 H ASP 28 8.233 -7.185 1.450 198 HA ASP 28 HA ASP 28 8.039 -6.920 -1.365 199 HB2 ASP 28 HB3 ASP 28 6.286 -7.845 0.226 200 HB3 ASP 28 HB2 ASP 28 5.875 -6.175 0.618 201 H CYS 29 H CYS 29 7.771 -4.499 1.218 202 HA CYS 29 HA CYS 29 7.042 -2.305 -0.499 203 HB2 CYS 29 HB3 CYS 29 8.623 -2.154 2.082 204 HB3 CYS 29 HB2 CYS 29 7.617 -0.891 1.373 205 H ASP 30 H ASP 30 9.979 -4.011 0.063 206 HA ASP 30 HA ASP 30 11.629 -1.816 -1.063 207 HB2 ASP 30 HB3 ASP 30 12.362 -4.502 0.132 208 HB3 ASP 30 HB2 ASP 30 13.532 -3.336 -0.486 209 H ASN 31 H ASN 31 9.761 -4.225 -2.315 210 HA ASN 31 HA ASN 31 11.722 -4.993 -4.412 211 HB2 ASN 31 HB3 ASN 31 10.302 -6.723 -3.215 212 HB3 ASN 31 HB2 ASN 31 8.904 -6.025 -4.030 213 HD21 ASN 31 HD21 ASN 31 9.365 -8.625 -4.677 214 HD22 ASN 31 HD22 ASN 31 10.066 -8.771 -6.216 215 H ASP 32 H ASP 32 11.749 -3.719 -6.177 216 HA ASP 32 HA ASP 32 9.840 -1.724 -6.805 217 HB2 ASP 32 HB3 ASP 32 11.738 -3.213 -8.647 218 HB3 ASP 32 HB2 ASP 32 10.888 -1.726 -9.067 219 H ASP 33 H ASP 33 10.047 -5.110 -7.712 220 HA ASP 33 HA ASP 33 7.997 -5.079 -9.715 221 HB2 ASP 33 HB3 ASP 33 9.700 -6.914 -9.310 222 HB3 ASP 33 HB2 ASP 33 8.733 -7.401 -7.916 223 H LYS 34 H LYS 34 7.891 -5.209 -6.205 224 HA LYS 34 HA LYS 34 4.949 -5.697 -6.365 225 HB2 LYS 34 HB3 LYS 34 6.682 -5.803 -3.891 226 HB3 LYS 34 HB2 LYS 34 5.057 -6.459 -4.107 227 HG2 LYS 34 HG3 LYS 34 6.073 -7.905 -5.973 228 HG3 LYS 34 HG2 LYS 34 7.641 -7.440 -5.313 229 HD2 LYS 34 HD3 LYS 34 6.922 -8.291 -3.084 230 HD3 LYS 34 HD2 LYS 34 5.413 -8.844 -3.812 231 HE2 LYS 34 HE3 LYS 34 6.533 -10.432 -5.183 232 HE3 LYS 34 HE2 LYS 34 8.106 -9.699 -4.879 233 HZ1 LYS 34 HZ1 LYS 34 7.979 -11.608 -3.534 234 HZ2 LYS 34 HZ2 LYS 34 6.418 -11.223 -2.983 235 HZ3 LYS 34 HZ3 LYS 34 7.752 -10.292 -2.488 236 H LEU 35 H LEU 35 7.121 -3.186 -6.121 237 HA LEU 35 HA LEU 35 6.191 -1.571 -4.027 238 HB2 LEU 35 HB3 LEU 35 7.376 -1.032 -6.711 239 HB3 LEU 35 HB2 LEU 35 6.643 0.327 -5.863 240 HG LEU 35 HG LEU 35 8.754 -1.513 -4.694 241 HD11 LEU 35 HD11 LEU 35 10.355 -0.054 -5.401 242 HD12 LEU 35 HD12 LEU 35 9.328 1.352 -5.121 243 HD13 LEU 35 HD13 LEU 35 9.153 0.415 -6.603 244 HD21 LEU 35 HD21 LEU 35 6.987 0.580 -3.614 245 HD22 LEU 35 HD22 LEU 35 8.692 0.820 -3.229 246 HD23 LEU 35 HD23 LEU 35 7.884 -0.678 -2.763 247 H LEU 36 H LEU 36 4.846 -1.915 -7.312 248 HA LEU 36 HA LEU 36 2.690 -0.051 -6.871 249 HB2 LEU 36 HB3 LEU 36 3.464 -0.794 -9.130 250 HB3 LEU 36 HB2 LEU 36 2.780 -2.387 -8.805 251 HG LEU 36 HG LEU 36 0.931 -0.144 -8.301 252 HD11 LEU 36 HD11 LEU 36 2.099 -0.679 -11.030 253 HD12 LEU 36 HD12 LEU 36 1.831 0.872 -10.234 254 HD13 LEU 36 HD13 LEU 36 0.460 -0.057 -10.843 255 HD21 LEU 36 HD21 LEU 36 0.742 -2.706 -9.919 256 HD22 LEU 36 HD22 LEU 36 -0.612 -1.667 -9.470 257 HD23 LEU 36 HD23 LEU 36 0.288 -2.531 -8.223 258 H GLU 37 H GLU 37 3.034 -3.559 -6.438 259 HA GLU 37 HA GLU 37 0.299 -4.131 -5.869 260 HB2 GLU 37 HB3 GLU 37 2.800 -5.444 -4.755 261 HB3 GLU 37 HB2 GLU 37 1.174 -6.121 -4.672 262 HG2 GLU 37 HG3 GLU 37 1.063 -6.091 -7.158 263 HG3 GLU 37 HG2 GLU 37 2.722 -5.495 -7.203 264 H MET 38 H MET 38 2.954 -3.014 -3.797 265 HA MET 38 HA MET 38 1.417 -3.140 -1.352 266 HB2 MET 38 HB3 MET 38 3.906 -1.603 -2.115 267 HB3 MET 38 HB2 MET 38 3.233 -1.634 -0.486 268 HG2 MET 38 HG3 MET 38 4.073 -4.077 -2.061 269 HG3 MET 38 HG2 MET 38 5.033 -3.325 -0.790 270 HE1 MET 38 HE1 MET 38 2.245 -5.181 -2.007 271 HE2 MET 38 HE2 MET 38 1.280 -5.788 -0.667 272 HE3 MET 38 HE3 MET 38 2.833 -6.536 -1.032 273 H GLY 39 H GLY 39 2.278 -0.454 -3.550 274 HA2 GLY 39 HA3 GLY 39 0.958 1.615 -2.157 275 HA3 GLY 39 HA2 GLY 39 1.165 1.585 -3.908 276 H TYR 40 H TYR 40 -0.278 -0.982 -4.120 277 HA TYR 40 HA TYR 40 -3.012 0.143 -4.079 278 HB2 TYR 40 HB3 TYR 40 -2.282 -0.850 -6.171 279 HB3 TYR 40 HB2 TYR 40 -1.842 -2.347 -5.346 280 HD1 TYR 40 HD1 TYR 40 -3.564 -3.829 -4.415 281 HD2 TYR 40 HD2 TYR 40 -4.595 -0.300 -6.625 282 HE1 TYR 40 HE1 TYR 40 -5.884 -4.664 -4.651 283 HE2 TYR 40 HE2 TYR 40 -6.920 -1.132 -6.868 284 HH TYR 40 HH TYR 40 -8.411 -2.879 -5.346 285 H TYR 41 H TYR 41 -1.476 -2.980 -3.211 286 HA TYR 41 HA TYR 41 -3.774 -3.794 -1.656 287 HB2 TYR 41 HB3 TYR 41 -0.985 -4.918 -1.939 288 HB3 TYR 41 HB2 TYR 41 -2.205 -5.648 -0.898 289 HD1 TYR 41 HD1 TYR 41 -4.459 -6.283 -1.942 290 HD2 TYR 41 HD2 TYR 41 -0.967 -5.367 -4.269 291 HE1 TYR 41 HE1 TYR 41 -5.458 -7.437 -3.895 292 HE2 TYR 41 HE2 TYR 41 -1.969 -6.517 -6.221 293 HH TYR 41 HH TYR 41 -5.234 -7.936 -6.047 294 H CYS 42 H CYS 42 -0.563 -2.479 -0.791 295 HA CYS 42 HA CYS 42 -1.711 -1.895 1.885 296 HB2 CYS 42 HB3 CYS 42 1.045 -3.071 1.594 297 HB3 CYS 42 HB2 CYS 42 0.083 -2.883 3.062 298 HA PRO 43 HA PRO 43 0.742 1.631 0.003 299 HB2 PRO 43 HB3 PRO 43 -1.186 3.522 0.563 300 HB3 PRO 43 HB2 PRO 43 -1.100 2.622 -0.962 301 HG2 PRO 43 HG3 PRO 43 -2.825 2.149 1.418 302 HG3 PRO 43 HG2 PRO 43 -3.227 2.028 -0.304 303 HD2 PRO 43 HD3 PRO 43 -2.733 -0.158 1.215 304 HD3 PRO 43 HD2 PRO 43 -2.293 -0.092 -0.507 305 H VAL 44 H VAL 44 -1.146 1.328 2.969 306 HA VAL 44 HA VAL 44 0.346 3.423 4.352 307 HB VAL 44 HB VAL 44 -1.610 1.334 5.344 308 HG11 VAL 44 HG11 VAL 44 -0.474 3.777 6.740 309 HG12 VAL 44 HG12 VAL 44 -0.084 2.103 7.136 310 HG13 VAL 44 HG13 VAL 44 -1.721 2.709 7.384 311 HG21 VAL 44 HG21 VAL 44 -1.948 4.313 4.889 312 HG22 VAL 44 HG22 VAL 44 -3.207 3.158 5.330 313 HG23 VAL 44 HG23 VAL 44 -2.458 3.080 3.735 314 H THR 45 H THR 45 0.269 -0.146 4.447 315 HA THR 45 HA THR 45 2.133 -0.498 6.557 316 HB THR 45 HB THR 45 1.799 -2.281 4.136 317 HG1 THR 45 HG1 THR 45 -0.092 -2.667 4.919 318 HG21 THR 45 HG21 THR 45 2.599 -2.961 6.972 319 HG22 THR 45 HG22 THR 45 3.754 -2.699 5.667 320 HG23 THR 45 HG23 THR 45 2.608 -4.036 5.574 321 H CYS 46 H CYS 46 2.697 -0.027 3.067 322 HA CYS 46 HA CYS 46 5.592 -0.367 3.477 323 HB2 CYS 46 HB3 CYS 46 3.925 0.324 1.057 324 HB3 CYS 46 HB2 CYS 46 5.688 0.237 1.023 325 H GLY 47 H GLY 47 3.393 2.202 3.784 326 HA2 GLY 47 HA3 GLY 47 3.952 4.374 4.550 327 HA3 GLY 47 HA2 GLY 47 5.638 4.043 4.176 328 H PHE 48 H PHE 48 2.833 3.868 1.952 329 HA PHE 48 HA PHE 48 4.220 5.962 0.316 330 HB2 PHE 48 HB3 PHE 48 2.118 3.955 -0.555 331 HB3 PHE 48 HB2 PHE 48 2.963 5.094 -1.601 332 HD1 PHE 48 HD2 PHE 48 5.702 4.992 -1.041 333 HD2 PHE 48 HD1 PHE 48 2.859 1.783 -0.782 334 HE1 PHE 48 HE2 PHE 48 7.534 3.347 -1.334 335 HE2 PHE 48 HE1 PHE 48 4.691 0.139 -1.076 336 HZ PHE 48 HZ PHE 48 7.028 0.920 -1.350 337 H CYS 49 H CYS 49 1.519 5.223 2.231 338 HA CYS 49 HA CYS 49 0.306 7.846 1.540 339 HB2 CYS 49 HB3 CYS 49 -0.822 5.808 0.358 340 HB3 CYS 49 HB2 CYS 49 -1.449 5.440 1.962 341 H GLU 50 H GLU 50 -1.560 8.220 3.258 342 HA GLU 50 HA GLU 50 -0.353 7.569 5.898 343 HB2 GLU 50 HB3 GLU 50 -2.182 9.736 4.888 344 HB3 GLU 50 HB2 GLU 50 -2.112 9.375 6.613 345 HG2 GLU 50 HG3 GLU 50 -0.484 11.171 5.601 346 HG3 GLU 50 HG2 GLU 50 0.124 10.020 6.792 347 HA PRO 51 HA PRO 51 -3.641 4.785 6.876 348 HB2 PRO 51 HB3 PRO 51 -3.870 5.174 9.585 349 HB3 PRO 51 HB2 PRO 51 -2.544 4.269 8.832 350 HG2 PRO 51 HG3 PRO 51 -2.589 7.055 9.862 351 HG3 PRO 51 HG2 PRO 51 -1.297 5.845 9.923 352 HD2 PRO 51 HD3 PRO 51 -1.329 7.923 8.128 353 HD3 PRO 51 HD2 PRO 51 -0.521 6.372 7.815 Start of MODEL 13 1 HA ASN 1 HA ASN 1 -10.993 26.421 -4.451 2 HB2 ASN 1 HB3 ASN 1 -10.323 28.483 -5.842 3 HB3 ASN 1 HB2 ASN 1 -11.303 27.783 -7.132 4 HD21 ASN 1 HD21 ASN 1 -12.689 29.800 -6.760 5 HD22 ASN 1 HD22 ASN 1 -13.844 29.756 -5.519 6 H ASP 2 H ASP 2 -10.382 24.072 -6.363 7 HA ASP 2 HA ASP 2 -12.860 23.724 -7.858 8 HB2 ASP 2 HB3 ASP 2 -10.706 22.693 -8.568 9 HB3 ASP 2 HB2 ASP 2 -10.757 21.662 -7.139 10 H ILE 3 H ILE 3 -14.719 22.859 -7.106 11 HA ILE 3 HA ILE 3 -14.984 22.202 -4.292 12 HB ILE 3 HB ILE 3 -16.940 21.814 -6.577 13 HG12 ILE 3 HG13 ILE 3 -16.733 24.073 -4.564 14 HG13 ILE 3 HG12 ILE 3 -16.106 24.168 -6.209 15 HG21 ILE 3 HG21 ILE 3 -17.952 20.606 -4.906 16 HG22 ILE 3 HG22 ILE 3 -18.445 22.213 -4.374 17 HG23 ILE 3 HG23 ILE 3 -17.054 21.426 -3.628 18 HD11 ILE 3 HD11 ILE 3 -18.959 23.991 -5.285 19 HD12 ILE 3 HD12 ILE 3 -18.519 23.414 -6.894 20 HD13 ILE 3 HD13 ILE 3 -18.236 25.098 -6.452 21 H ARG 4 H ARG 4 -13.816 20.417 -6.874 22 HA ARG 4 HA ARG 4 -15.021 17.849 -6.193 23 HB2 ARG 4 HB3 ARG 4 -12.557 18.515 -7.835 24 HB3 ARG 4 HB2 ARG 4 -13.289 16.914 -7.718 25 HG2 ARG 4 HG3 ARG 4 -15.424 17.870 -8.590 26 HG3 ARG 4 HG2 ARG 4 -14.603 19.417 -8.812 27 HD2 ARG 4 HD3 ARG 4 -12.902 18.161 -10.241 28 HD3 ARG 4 HD2 ARG 4 -14.016 16.793 -10.199 29 HE ARG 4 HE ARG 4 -15.489 19.079 -11.016 30 HH11 ARG 4 HH21 ARG 4 -12.910 17.031 -12.042 31 HH12 ARG 4 HH22 ARG 4 -13.219 17.266 -13.730 32 HH21 ARG 4 HH11 ARG 4 -15.898 19.407 -13.210 33 HH22 ARG 4 HH12 ARG 4 -14.912 18.609 -14.392 34 H THR 5 H THR 5 -13.003 19.761 -4.502 35 HA THR 5 HA THR 5 -10.994 17.841 -3.655 36 HB THR 5 HB THR 5 -11.024 20.484 -3.506 37 HG1 THR 5 HG1 THR 5 -9.309 20.193 -2.301 38 HG21 THR 5 HG21 THR 5 -11.844 21.383 -1.483 39 HG22 THR 5 HG22 THR 5 -11.989 19.793 -0.735 40 HG23 THR 5 HG23 THR 5 -13.118 20.279 -2.001 41 H ALA 6 H ALA 6 -14.206 17.752 -3.290 42 HA ALA 6 HA ALA 6 -14.470 17.245 -0.441 43 HB1 ALA 6 HB1 ALA 6 -16.678 17.271 -0.916 44 HB2 ALA 6 HB2 ALA 6 -16.500 15.987 -2.112 45 HB3 ALA 6 HB3 ALA 6 -16.225 17.665 -2.574 46 H ALA 7 H ALA 7 -13.027 15.502 -2.909 47 HA ALA 7 HA ALA 7 -13.878 12.826 -2.305 48 HB1 ALA 7 HB1 ALA 7 -11.234 13.811 -3.417 49 HB2 ALA 7 HB2 ALA 7 -12.652 13.365 -4.365 50 HB3 ALA 7 HB3 ALA 7 -11.789 12.138 -3.440 51 H ASP 8 H ASP 8 -13.003 11.307 -0.877 52 HA ASP 8 HA ASP 8 -11.142 12.418 1.183 53 HB2 ASP 8 HB3 ASP 8 -12.137 10.841 2.758 54 HB3 ASP 8 HB2 ASP 8 -13.420 11.791 2.009 55 H MET 9 H MET 9 -10.879 10.825 -1.497 56 HA MET 9 HA MET 9 -9.766 8.276 -0.832 57 HB2 MET 9 HB3 MET 9 -9.348 10.088 -3.221 58 HB3 MET 9 HB2 MET 9 -8.722 8.445 -3.124 59 HG2 MET 9 HG3 MET 9 -11.627 9.305 -3.057 60 HG3 MET 9 HG2 MET 9 -10.828 8.354 -4.308 61 HE1 MET 9 HE1 MET 9 -9.844 5.117 -2.502 62 HE2 MET 9 HE2 MET 9 -8.936 6.543 -2.013 63 HE3 MET 9 HE3 MET 9 -9.406 6.344 -3.698 64 H GLU 10 H GLU 10 -8.717 10.948 0.445 65 HA GLU 10 HA GLU 10 -5.865 10.793 -0.224 66 HB2 GLU 10 HB3 GLU 10 -6.978 12.944 0.432 67 HB3 GLU 10 HB2 GLU 10 -7.216 12.277 2.049 68 HG2 GLU 10 HG3 GLU 10 -4.777 11.973 2.284 69 HG3 GLU 10 HG2 GLU 10 -4.539 12.663 0.677 70 H HIS 11 H HIS 11 -8.023 9.160 1.834 71 HA HIS 11 HA HIS 11 -5.821 8.331 3.655 72 HB2 HIS 11 HB3 HIS 11 -8.818 7.896 3.857 73 HB3 HIS 11 HB2 HIS 11 -7.631 7.388 5.056 74 HD1 HIS 11 HD1 HIS 11 -9.316 10.438 3.661 75 HD2 HIS 11 HD2 HIS 11 -6.536 9.504 6.627 76 HE1 HIS 11 HE1 HIS 11 -9.033 12.531 5.062 77 HE2 HIS 11 HE2 HIS 11 -7.344 11.974 6.871 78 H CYS 12 H CYS 12 -4.877 6.420 3.236 79 HA CYS 12 HA CYS 12 -6.364 4.450 1.548 80 HB2 CYS 12 HB3 CYS 12 -3.392 4.368 2.034 81 HB3 CYS 12 HB2 CYS 12 -4.309 3.704 0.684 82 H ALA 13 H ALA 13 -6.111 2.170 2.201 83 HA ALA 13 HA ALA 13 -5.218 1.833 5.025 84 HB1 ALA 13 HB1 ALA 13 -7.779 2.137 4.696 85 HB2 ALA 13 HB2 ALA 13 -7.213 0.796 5.694 86 HB3 ALA 13 HB3 ALA 13 -7.729 0.503 4.032 87 H ASP 14 H ASP 14 -4.480 -0.289 5.514 88 HA ASP 14 HA ASP 14 -3.283 -1.707 3.328 89 HB2 ASP 14 HB3 ASP 14 -2.699 -3.402 5.049 90 HB3 ASP 14 HB2 ASP 14 -2.327 -1.765 5.590 91 H GLU 15 H GLU 15 -3.942 -3.602 2.286 92 HA GLU 15 HA GLU 15 -6.766 -4.106 2.148 93 HB2 GLU 15 HB3 GLU 15 -4.406 -4.962 0.761 94 HB3 GLU 15 HB2 GLU 15 -5.330 -6.391 1.212 95 HG2 GLU 15 HG3 GLU 15 -7.219 -4.495 0.273 96 HG3 GLU 15 HG2 GLU 15 -5.878 -4.470 -0.868 97 H LYS 16 H LYS 16 -8.013 -5.635 3.187 98 HA LYS 16 HA LYS 16 -6.810 -6.951 5.527 99 HB2 LYS 16 HB3 LYS 16 -9.068 -7.475 6.170 100 HB3 LYS 16 HB2 LYS 16 -9.073 -5.817 5.564 101 HG2 LYS 16 HG3 LYS 16 -9.779 -6.708 3.322 102 HG3 LYS 16 HG2 LYS 16 -9.930 -8.305 4.059 103 HD2 LYS 16 HD3 LYS 16 -11.468 -7.187 5.782 104 HD3 LYS 16 HD2 LYS 16 -11.516 -5.812 4.679 105 HE2 LYS 16 HE3 LYS 16 -12.809 -8.447 4.447 106 HE3 LYS 16 HE2 LYS 16 -13.245 -6.910 3.699 107 HZ1 LYS 16 HZ1 LYS 16 -12.562 -8.089 1.889 108 HZ2 LYS 16 HZ2 LYS 16 -11.409 -8.990 2.753 109 HZ3 LYS 16 HZ3 LYS 16 -11.088 -7.375 2.332 110 H ASN 17 H ASN 17 -7.709 -7.749 2.284 111 HA ASN 17 HA ASN 17 -7.783 -10.652 2.837 112 HB2 ASN 17 HB3 ASN 17 -7.938 -9.139 0.212 113 HB3 ASN 17 HB2 ASN 17 -8.256 -10.860 0.434 114 HD21 ASN 17 HD21 ASN 17 -9.807 -7.895 0.219 115 HD22 ASN 17 HD22 ASN 17 -11.241 -8.286 1.035 116 H PHE 18 H PHE 18 -5.462 -8.282 2.202 117 HA PHE 18 HA PHE 18 -3.585 -10.311 1.057 118 HB2 PHE 18 HB3 PHE 18 -4.000 -8.168 -0.244 119 HB3 PHE 18 HB2 PHE 18 -3.238 -7.301 1.090 120 HD1 PHE 18 HD2 PHE 18 -2.705 -9.788 -1.595 121 HD2 PHE 18 HD1 PHE 18 -0.857 -7.415 1.469 122 HE1 PHE 18 HE2 PHE 18 -0.472 -10.321 -2.533 123 HE2 PHE 18 HE1 PHE 18 1.376 -7.943 0.530 124 HZ PHE 18 HZ PHE 18 1.570 -9.397 -1.471 125 H ASP 19 H ASP 19 -1.791 -10.866 2.277 126 HA ASP 19 HA ASP 19 -1.718 -9.902 5.040 127 HB2 ASP 19 HB3 ASP 19 0.157 -11.785 3.570 128 HB3 ASP 19 HB2 ASP 19 0.124 -11.509 5.313 129 H CYS 20 H CYS 20 -1.207 -7.663 4.656 130 HA CYS 20 HA CYS 20 1.137 -6.811 3.226 131 HB2 CYS 20 HB3 CYS 20 -0.228 -5.385 5.526 132 HB3 CYS 20 HB2 CYS 20 0.721 -4.660 4.227 133 H ARG 21 H ARG 21 0.519 -7.808 6.541 134 HA ARG 21 HA ARG 21 2.970 -6.935 7.718 135 HB2 ARG 21 HB3 ARG 21 0.834 -7.932 8.813 136 HB3 ARG 21 HB2 ARG 21 1.555 -9.499 8.454 137 HG2 ARG 21 HG3 ARG 21 3.008 -7.326 9.983 138 HG3 ARG 21 HG2 ARG 21 2.063 -8.590 10.768 139 HD2 ARG 21 HD3 ARG 21 3.490 -10.256 9.429 140 HD3 ARG 21 HD2 ARG 21 4.557 -8.895 9.098 141 HE ARG 21 HE ARG 21 4.471 -8.712 11.757 142 HH11 ARG 21 HH21 ARG 21 4.562 -11.496 9.722 143 HH12 ARG 21 HH22 ARG 21 5.432 -12.465 10.863 144 HH21 ARG 21 HH11 ARG 21 5.619 -9.958 13.251 145 HH22 ARG 21 HH12 ARG 21 6.029 -11.594 12.864 146 H ARG 22 H ARG 22 2.057 -10.044 6.220 147 HA ARG 22 HA ARG 22 4.645 -11.246 6.490 148 HB2 ARG 22 HB3 ARG 22 3.027 -12.835 6.074 149 HB3 ARG 22 HB2 ARG 22 2.160 -11.801 4.940 150 HG2 ARG 22 HG3 ARG 22 3.740 -12.194 3.209 151 HG3 ARG 22 HG2 ARG 22 4.887 -12.930 4.328 152 HD2 ARG 22 HD3 ARG 22 3.316 -14.791 4.718 153 HD3 ARG 22 HD2 ARG 22 2.164 -14.049 3.607 154 HE ARG 22 HE ARG 22 4.842 -14.634 2.511 155 HH11 ARG 22 HH21 ARG 22 1.525 -15.479 2.932 156 HH12 ARG 22 HH22 ARG 22 1.486 -16.540 1.563 157 HH21 ARG 22 HH11 ARG 22 4.813 -16.013 0.733 158 HH22 ARG 22 HH12 ARG 22 3.349 -16.841 0.314 159 H SER 23 H SER 23 3.057 -9.583 3.773 160 HA SER 23 HA SER 23 5.264 -9.840 1.975 161 HB2 SER 23 HB3 SER 23 3.005 -7.827 2.125 162 HB3 SER 23 HB2 SER 23 4.162 -7.884 0.799 163 HG SER 23 HG SER 23 2.500 -10.019 1.672 164 H LEU 24 H LEU 24 4.440 -7.415 4.433 165 HA LEU 24 HA LEU 24 6.457 -5.510 3.747 166 HB2 LEU 24 HB3 LEU 24 4.629 -4.974 5.295 167 HB3 LEU 24 HB2 LEU 24 5.249 -6.148 6.454 168 HG LEU 24 HG LEU 24 7.433 -4.829 6.436 169 HD11 LEU 24 HD11 LEU 24 6.996 -2.369 5.764 170 HD12 LEU 24 HD12 LEU 24 5.651 -3.010 4.823 171 HD13 LEU 24 HD13 LEU 24 7.298 -3.530 4.471 172 HD21 LEU 24 HD21 LEU 24 6.226 -2.837 7.712 173 HD22 LEU 24 HD22 LEU 24 6.227 -4.470 8.381 174 HD23 LEU 24 HD23 LEU 24 4.810 -3.871 7.517 175 H ARG 25 H ARG 25 6.525 -8.156 6.171 176 HA ARG 25 HA ARG 25 9.268 -7.698 6.895 177 HB2 ARG 25 HB3 ARG 25 9.172 -9.916 7.939 178 HB3 ARG 25 HB2 ARG 25 7.697 -9.017 8.303 179 HG2 ARG 25 HG3 ARG 25 6.575 -10.162 6.404 180 HG3 ARG 25 HG2 ARG 25 8.027 -11.129 6.154 181 HD2 ARG 25 HD3 ARG 25 7.820 -11.952 8.508 182 HD3 ARG 25 HD2 ARG 25 6.293 -11.077 8.641 183 HE ARG 25 HE ARG 25 6.133 -12.733 6.342 184 HH11 ARG 25 HH21 ARG 25 6.430 -12.926 9.773 185 HH12 ARG 25 HH22 ARG 25 5.593 -14.438 9.892 186 HH21 ARG 25 HH11 ARG 25 5.023 -14.694 6.482 187 HH22 ARG 25 HH12 ARG 25 4.795 -15.437 8.031 188 H ASN 26 H ASN 26 7.742 -9.239 4.219 189 HA ASN 26 HA ASN 26 10.057 -10.850 3.454 190 HB2 ASN 26 HB3 ASN 26 7.552 -10.038 1.951 191 HB3 ASN 26 HB2 ASN 26 8.751 -11.180 1.349 192 HD21 ASN 26 HD21 ASN 26 6.021 -11.961 1.844 193 HD22 ASN 26 HD22 ASN 26 6.018 -13.066 3.129 194 H GLY 27 H GLY 27 9.458 -7.592 3.450 195 HA2 GLY 27 HA3 GLY 27 10.790 -5.864 2.527 196 HA3 GLY 27 HA2 GLY 27 11.651 -7.080 1.578 197 H ASP 28 H ASP 28 8.196 -7.132 1.488 198 HA ASP 28 HA ASP 28 8.053 -6.903 -1.333 199 HB2 ASP 28 HB3 ASP 28 6.282 -7.816 0.245 200 HB3 ASP 28 HB2 ASP 28 5.845 -6.141 0.590 201 H CYS 29 H CYS 29 7.739 -4.448 1.212 202 HA CYS 29 HA CYS 29 7.018 -2.289 -0.556 203 HB2 CYS 29 HB3 CYS 29 8.540 -2.062 2.056 204 HB3 CYS 29 HB2 CYS 29 7.516 -0.838 1.304 205 H ASP 30 H ASP 30 9.971 -3.933 0.147 206 HA ASP 30 HA ASP 30 11.631 -1.753 -0.979 207 HB2 ASP 30 HB3 ASP 30 12.339 -4.442 0.229 208 HB3 ASP 30 HB2 ASP 30 13.524 -3.289 -0.389 209 H ASN 31 H ASN 31 9.802 -4.232 -2.201 210 HA ASN 31 HA ASN 31 11.749 -4.967 -4.315 211 HB2 ASN 31 HB3 ASN 31 10.353 -6.732 -3.201 212 HB3 ASN 31 HB2 ASN 31 8.920 -5.961 -3.877 213 HD21 ASN 31 HD21 ASN 31 9.426 -8.589 -4.647 214 HD22 ASN 31 HD22 ASN 31 9.955 -8.631 -6.260 215 H ASP 32 H ASP 32 11.796 -3.624 -6.053 216 HA ASP 32 HA ASP 32 9.851 -1.628 -6.611 217 HB2 ASP 32 HB3 ASP 32 11.827 -2.974 -8.481 218 HB3 ASP 32 HB2 ASP 32 10.937 -1.496 -8.851 219 H ASP 33 H ASP 33 10.116 -4.982 -7.610 220 HA ASP 33 HA ASP 33 8.096 -4.898 -9.655 221 HB2 ASP 33 HB3 ASP 33 9.784 -6.725 -9.401 222 HB3 ASP 33 HB2 ASP 33 8.944 -7.254 -7.944 223 H LYS 34 H LYS 34 7.932 -4.967 -6.172 224 HA LYS 34 HA LYS 34 5.012 -5.594 -6.361 225 HB2 LYS 34 HB3 LYS 34 6.710 -5.671 -3.859 226 HB3 LYS 34 HB2 LYS 34 5.105 -6.364 -4.102 227 HG2 LYS 34 HG3 LYS 34 6.129 -7.821 -5.910 228 HG3 LYS 34 HG2 LYS 34 7.703 -7.266 -5.346 229 HD2 LYS 34 HD3 LYS 34 7.101 -8.066 -3.047 230 HD3 LYS 34 HD2 LYS 34 5.628 -8.760 -3.726 231 HE2 LYS 34 HE3 LYS 34 7.778 -9.600 -5.382 232 HE3 LYS 34 HE2 LYS 34 8.277 -9.869 -3.711 233 HZ1 LYS 34 HZ1 LYS 34 5.682 -10.750 -4.853 234 HZ2 LYS 34 HZ2 LYS 34 6.283 -11.101 -3.302 235 HZ3 LYS 34 HZ3 LYS 34 7.040 -11.750 -4.677 236 H LEU 35 H LEU 35 7.094 -3.015 -6.081 237 HA LEU 35 HA LEU 35 6.052 -1.463 -3.973 238 HB2 LEU 35 HB3 LEU 35 7.312 -0.821 -6.609 239 HB3 LEU 35 HB2 LEU 35 6.557 0.490 -5.702 240 HG LEU 35 HG LEU 35 8.646 -1.402 -4.579 241 HD11 LEU 35 HD11 LEU 35 9.186 1.496 -4.958 242 HD12 LEU 35 HD12 LEU 35 9.142 0.518 -6.425 243 HD13 LEU 35 HD13 LEU 35 10.273 0.118 -5.131 244 HD21 LEU 35 HD21 LEU 35 7.695 -0.638 -2.649 245 HD22 LEU 35 HD22 LEU 35 6.893 0.705 -3.465 246 HD23 LEU 35 HD23 LEU 35 8.590 0.839 -3.005 247 H LEU 36 H LEU 36 4.911 -1.658 -7.354 248 HA LEU 36 HA LEU 36 2.694 0.124 -6.976 249 HB2 LEU 36 HB3 LEU 36 3.593 -0.598 -9.209 250 HB3 LEU 36 HB2 LEU 36 2.892 -2.192 -8.925 251 HG LEU 36 HG LEU 36 1.034 0.064 -8.502 252 HD11 LEU 36 HD11 LEU 36 2.378 -0.467 -11.139 253 HD12 LEU 36 HD12 LEU 36 1.950 1.077 -10.402 254 HD13 LEU 36 HD13 LEU 36 0.694 0.054 -11.101 255 HD21 LEU 36 HD21 LEU 36 0.928 -2.548 -10.047 256 HD22 LEU 36 HD22 LEU 36 -0.446 -1.474 -9.792 257 HD23 LEU 36 HD23 LEU 36 0.311 -2.279 -8.417 258 H GLU 37 H GLU 37 3.082 -3.376 -6.635 259 HA GLU 37 HA GLU 37 0.351 -4.036 -6.192 260 HB2 GLU 37 HB3 GLU 37 2.844 -5.313 -5.015 261 HB3 GLU 37 HB2 GLU 37 1.246 -6.055 -5.078 262 HG2 GLU 37 HG3 GLU 37 2.824 -5.149 -7.504 263 HG3 GLU 37 HG2 GLU 37 2.709 -6.817 -6.945 264 H MET 38 H MET 38 2.896 -2.940 -3.968 265 HA MET 38 HA MET 38 1.268 -3.173 -1.586 266 HB2 MET 38 HB3 MET 38 3.744 -1.555 -2.215 267 HB3 MET 38 HB2 MET 38 3.022 -1.655 -0.610 268 HG2 MET 38 HG3 MET 38 3.925 -4.050 -2.225 269 HG3 MET 38 HG2 MET 38 4.897 -3.288 -0.967 270 HE1 MET 38 HE1 MET 38 1.360 -6.058 -0.693 271 HE2 MET 38 HE2 MET 38 2.944 -6.452 -1.353 272 HE3 MET 38 HE3 MET 38 1.985 -5.173 -2.090 273 H GLY 39 H GLY 39 2.104 -0.446 -3.732 274 HA2 GLY 39 HA3 GLY 39 0.686 1.571 -2.328 275 HA3 GLY 39 HA2 GLY 39 0.978 1.590 -4.070 276 H TYR 40 H TYR 40 -0.370 -1.053 -4.335 277 HA TYR 40 HA TYR 40 -3.123 0.002 -4.519 278 HB2 TYR 40 HB3 TYR 40 -2.212 -1.095 -6.492 279 HB3 TYR 40 HB2 TYR 40 -1.827 -2.537 -5.551 280 HD1 TYR 40 HD2 TYR 40 -3.608 -3.982 -4.676 281 HD2 TYR 40 HD1 TYR 40 -4.488 -0.608 -7.174 282 HE1 TYR 40 HE2 TYR 40 -5.887 -4.871 -5.058 283 HE2 TYR 40 HE1 TYR 40 -6.776 -1.492 -7.558 284 HH TYR 40 HH TYR 40 -7.736 -4.676 -6.375 285 H TYR 41 H TYR 41 -1.543 -2.983 -3.303 286 HA TYR 41 HA TYR 41 -3.954 -3.719 -1.833 287 HB2 TYR 41 HB3 TYR 41 -1.196 -4.936 -2.023 288 HB3 TYR 41 HB2 TYR 41 -2.457 -5.594 -0.983 289 HD1 TYR 41 HD1 TYR 41 -4.726 -6.157 -2.069 290 HD2 TYR 41 HD2 TYR 41 -1.125 -5.498 -4.316 291 HE1 TYR 41 HE1 TYR 41 -5.718 -7.345 -4.006 292 HE2 TYR 41 HE2 TYR 41 -2.121 -6.683 -6.254 293 HH TYR 41 HH TYR 41 -4.308 -8.680 -6.258 294 H CYS 42 H CYS 42 -0.613 -2.776 -0.858 295 HA CYS 42 HA CYS 42 -1.822 -1.980 1.752 296 HB2 CYS 42 HB3 CYS 42 0.948 -3.128 1.532 297 HB3 CYS 42 HB2 CYS 42 -0.066 -2.952 2.963 298 HA PRO 43 HA PRO 43 0.685 1.520 -0.092 299 HB2 PRO 43 HB3 PRO 43 -1.240 3.426 0.331 300 HB3 PRO 43 HB2 PRO 43 -1.147 2.454 -1.150 301 HG2 PRO 43 HG3 PRO 43 -2.884 2.085 1.248 302 HG3 PRO 43 HG2 PRO 43 -3.297 1.945 -0.472 303 HD2 PRO 43 HD3 PRO 43 -2.839 -0.236 1.065 304 HD3 PRO 43 HD2 PRO 43 -2.386 -0.193 -0.654 305 H VAL 44 H VAL 44 -1.333 1.238 2.798 306 HA VAL 44 HA VAL 44 0.083 3.342 4.248 307 HB VAL 44 HB VAL 44 -1.801 1.180 5.237 308 HG11 VAL 44 HG11 VAL 44 -0.194 3.188 6.594 309 HG12 VAL 44 HG12 VAL 44 -1.169 1.891 7.283 310 HG13 VAL 44 HG13 VAL 44 -1.915 3.439 6.889 311 HG21 VAL 44 HG21 VAL 44 -2.166 3.798 3.910 312 HG22 VAL 44 HG22 VAL 44 -3.144 3.557 5.358 313 HG23 VAL 44 HG23 VAL 44 -3.268 2.425 4.010 314 H THR 45 H THR 45 0.038 -0.226 4.323 315 HA THR 45 HA THR 45 1.870 -0.573 6.460 316 HB THR 45 HB THR 45 1.594 -2.359 4.034 317 HG1 THR 45 HG1 THR 45 -0.229 -3.010 4.861 318 HG21 THR 45 HG21 THR 45 2.149 -4.095 5.837 319 HG22 THR 45 HG22 THR 45 2.638 -2.730 6.839 320 HG23 THR 45 HG23 THR 45 3.465 -3.045 5.314 321 H CYS 46 H CYS 46 2.488 -0.072 2.987 322 HA CYS 46 HA CYS 46 5.375 -0.419 3.427 323 HB2 CYS 46 HB3 CYS 46 3.704 0.249 1.004 324 HB3 CYS 46 HB2 CYS 46 5.468 0.274 0.967 325 H GLY 47 H GLY 47 3.257 2.088 3.977 326 HA2 GLY 47 HA3 GLY 47 3.805 4.266 4.707 327 HA3 GLY 47 HA2 GLY 47 5.479 3.953 4.263 328 H PHE 48 H PHE 48 2.678 3.672 2.085 329 HA PHE 48 HA PHE 48 3.924 5.837 0.442 330 HB2 PHE 48 HB3 PHE 48 1.917 3.723 -0.398 331 HB3 PHE 48 HB2 PHE 48 2.729 4.873 -1.460 332 HD1 PHE 48 HD1 PHE 48 5.430 4.628 0.241 333 HD2 PHE 48 HD2 PHE 48 2.811 1.816 -1.685 334 HE1 PHE 48 HE1 PHE 48 7.315 3.048 -0.015 335 HE2 PHE 48 HE2 PHE 48 4.709 0.243 -1.941 336 HZ PHE 48 HZ PHE 48 6.956 0.854 -1.103 337 H CYS 49 H CYS 49 1.363 5.086 2.487 338 HA CYS 49 HA CYS 49 -0.078 7.542 1.594 339 HB2 CYS 49 HB3 CYS 49 -1.142 4.803 2.081 340 HB3 CYS 49 HB2 CYS 49 -2.115 6.153 2.663 341 H GLU 50 H GLU 50 -1.438 8.441 3.446 342 HA GLU 50 HA GLU 50 0.099 8.114 5.976 343 HB2 GLU 50 HB3 GLU 50 -1.842 10.317 5.242 344 HB3 GLU 50 HB2 GLU 50 -0.703 10.305 6.588 345 HG2 GLU 50 HG3 GLU 50 0.394 11.600 4.950 346 HG3 GLU 50 HG2 GLU 50 1.122 10.002 4.776 347 HA PRO 51 HA PRO 51 -3.360 5.568 7.365 348 HB2 PRO 51 HB3 PRO 51 -2.279 6.459 10.001 349 HB3 PRO 51 HB2 PRO 51 -2.681 4.826 9.440 350 HG2 PRO 51 HG3 PRO 51 -0.152 5.716 9.614 351 HG3 PRO 51 HG2 PRO 51 -0.674 4.540 8.400 352 HD2 PRO 51 HD3 PRO 51 0.086 7.374 8.045 353 HD3 PRO 51 HD2 PRO 51 0.045 6.059 6.850 Start of MODEL 14 1 HA ASN 1 HA ASN 1 -19.473 10.190 -15.767 2 HB2 ASN 1 HB3 ASN 1 -21.851 10.775 -16.577 3 HB3 ASN 1 HB2 ASN 1 -21.800 12.078 -15.387 4 HD21 ASN 1 HD21 ASN 1 -21.993 13.037 -17.897 5 HD22 ASN 1 HD22 ASN 1 -20.504 13.587 -18.493 6 H ASP 2 H ASP 2 -20.947 10.923 -12.708 7 HA ASP 2 HA ASP 2 -19.527 13.370 -12.160 8 HB2 ASP 2 HB3 ASP 2 -20.681 11.283 -10.287 9 HB3 ASP 2 HB2 ASP 2 -20.082 12.861 -9.777 10 H ILE 3 H ILE 3 -17.486 13.676 -11.320 11 HA ILE 3 HA ILE 3 -15.621 11.440 -11.412 12 HB ILE 3 HB ILE 3 -15.227 14.264 -10.375 13 HG12 ILE 3 HG13 ILE 3 -14.524 13.090 -13.084 14 HG13 ILE 3 HG12 ILE 3 -15.955 14.079 -12.784 15 HG21 ILE 3 HG21 ILE 3 -13.343 13.217 -9.585 16 HG22 ILE 3 HG22 ILE 3 -12.805 13.453 -11.248 17 HG23 ILE 3 HG23 ILE 3 -13.465 11.897 -10.747 18 HD11 ILE 3 HD11 ILE 3 -13.058 14.907 -12.470 19 HD12 ILE 3 HD12 ILE 3 -14.413 15.874 -11.887 20 HD13 ILE 3 HD13 ILE 3 -14.236 15.552 -13.613 21 H ARG 4 H ARG 4 -17.868 12.335 -9.162 22 HA ARG 4 HA ARG 4 -16.331 12.100 -6.722 23 HB2 ARG 4 HB3 ARG 4 -19.296 11.719 -7.242 24 HB3 ARG 4 HB2 ARG 4 -18.557 11.824 -5.643 25 HG2 ARG 4 HG3 ARG 4 -17.648 14.074 -6.273 26 HG3 ARG 4 HG2 ARG 4 -18.555 13.971 -7.783 27 HD2 ARG 4 HD3 ARG 4 -19.731 13.902 -4.989 28 HD3 ARG 4 HD2 ARG 4 -19.839 15.243 -6.129 29 HE ARG 4 HE ARG 4 -20.883 12.832 -7.311 30 HH11 ARG 4 HH21 ARG 4 -21.506 15.327 -5.013 31 HH12 ARG 4 HH22 ARG 4 -23.226 15.224 -5.169 32 HH21 ARG 4 HH11 ARG 4 -23.127 12.682 -7.525 33 HH22 ARG 4 HH12 ARG 4 -24.144 13.725 -6.586 34 H THR 5 H THR 5 -16.885 9.859 -9.063 35 HA THR 5 HA THR 5 -17.241 7.594 -7.180 36 HB THR 5 HB THR 5 -18.625 7.679 -9.271 37 HG1 THR 5 HG1 THR 5 -16.839 5.551 -9.582 38 HG21 THR 5 HG21 THR 5 -16.282 8.531 -10.437 39 HG22 THR 5 HG22 THR 5 -17.701 7.965 -11.319 40 HG23 THR 5 HG23 THR 5 -16.377 6.853 -10.972 41 H ALA 6 H ALA 6 -14.831 9.339 -8.819 42 HA ALA 6 HA ALA 6 -12.943 7.122 -9.125 43 HB1 ALA 6 HB1 ALA 6 -12.784 10.116 -9.455 44 HB2 ALA 6 HB2 ALA 6 -12.582 8.862 -10.678 45 HB3 ALA 6 HB3 ALA 6 -11.323 9.129 -9.473 46 H ALA 7 H ALA 7 -14.132 8.712 -6.489 47 HA ALA 7 HA ALA 7 -13.376 8.987 -4.287 48 HB1 ALA 7 HB1 ALA 7 -12.652 6.471 -5.092 49 HB2 ALA 7 HB2 ALA 7 -12.426 7.094 -3.457 50 HB3 ALA 7 HB3 ALA 7 -11.094 7.144 -4.612 51 H ASP 8 H ASP 8 -11.671 10.002 -3.044 52 HA ASP 8 HA ASP 8 -9.759 11.479 -4.773 53 HB2 ASP 8 HB3 ASP 8 -10.717 11.901 -1.932 54 HB3 ASP 8 HB2 ASP 8 -9.444 12.869 -2.677 55 H MET 9 H MET 9 -9.770 8.667 -3.128 56 HA MET 9 HA MET 9 -8.139 7.367 -2.063 57 HB2 MET 9 HB3 MET 9 -6.646 8.945 -4.145 58 HB3 MET 9 HB2 MET 9 -5.781 7.834 -3.083 59 HG2 MET 9 HG3 MET 9 -8.231 6.683 -4.222 60 HG3 MET 9 HG2 MET 9 -7.027 7.118 -5.436 61 HE1 MET 9 HE1 MET 9 -6.497 4.249 -1.885 62 HE2 MET 9 HE2 MET 9 -7.926 5.192 -2.297 63 HE3 MET 9 HE3 MET 9 -6.499 6.001 -1.651 64 H GLU 10 H GLU 10 -8.710 10.228 -1.043 65 HA GLU 10 HA GLU 10 -6.274 11.206 0.113 66 HB2 GLU 10 HB3 GLU 10 -8.337 12.569 -0.060 67 HB3 GLU 10 HB2 GLU 10 -9.121 11.510 1.116 68 HG2 GLU 10 HG3 GLU 10 -7.332 12.080 2.764 69 HG3 GLU 10 HG2 GLU 10 -6.661 13.220 1.594 70 H HIS 11 H HIS 11 -8.613 8.768 1.096 71 HA HIS 11 HA HIS 11 -7.096 8.360 3.623 72 HB2 HIS 11 HB3 HIS 11 -9.772 7.242 2.728 73 HB3 HIS 11 HB2 HIS 11 -9.022 6.955 4.296 74 HD1 HIS 11 HD1 HIS 11 -11.142 9.338 2.487 75 HD2 HIS 11 HD2 HIS 11 -8.704 9.448 5.869 76 HE1 HIS 11 HE1 HIS 11 -11.784 11.428 3.767 77 HE2 HIS 11 HE2 HIS 11 -10.305 11.506 5.826 78 H CYS 12 H CYS 12 -5.587 6.783 3.565 79 HA CYS 12 HA CYS 12 -5.912 4.599 1.549 80 HB2 CYS 12 HB3 CYS 12 -3.396 5.579 2.919 81 HB3 CYS 12 HB2 CYS 12 -3.478 4.344 1.668 82 H ALA 13 H ALA 13 -5.929 2.487 2.269 83 HA ALA 13 HA ALA 13 -5.320 1.991 5.145 84 HB1 ALA 13 HB1 ALA 13 -7.916 1.862 3.862 85 HB2 ALA 13 HB2 ALA 13 -7.511 1.684 5.568 86 HB3 ALA 13 HB3 ALA 13 -7.455 0.284 4.497 87 H ASP 14 H ASP 14 -4.647 -0.197 5.577 88 HA ASP 14 HA ASP 14 -3.305 -1.464 3.331 89 HB2 ASP 14 HB3 ASP 14 -2.620 -3.165 4.988 90 HB3 ASP 14 HB2 ASP 14 -2.338 -1.536 5.603 91 H GLU 15 H GLU 15 -3.953 -3.319 2.212 92 HA GLU 15 HA GLU 15 -6.739 -3.890 2.063 93 HB2 GLU 15 HB3 GLU 15 -4.353 -4.768 0.750 94 HB3 GLU 15 HB2 GLU 15 -5.264 -6.196 1.234 95 HG2 GLU 15 HG3 GLU 15 -7.136 -4.313 0.191 96 HG3 GLU 15 HG2 GLU 15 -5.792 -4.408 -0.941 97 H LYS 16 H LYS 16 -8.018 -5.366 3.107 98 HA LYS 16 HA LYS 16 -6.917 -6.636 5.515 99 HB2 LYS 16 HB3 LYS 16 -9.233 -7.220 6.000 100 HB3 LYS 16 HB2 LYS 16 -9.158 -5.531 5.498 101 HG2 LYS 16 HG3 LYS 16 -9.738 -6.246 3.174 102 HG3 LYS 16 HG2 LYS 16 -9.945 -7.893 3.770 103 HD2 LYS 16 HD3 LYS 16 -11.614 -6.954 5.440 104 HD3 LYS 16 HD2 LYS 16 -11.541 -5.443 4.534 105 HE2 LYS 16 HE3 LYS 16 -13.180 -6.337 3.250 106 HE3 LYS 16 HE2 LYS 16 -11.894 -7.313 2.538 107 HZ1 LYS 16 HZ1 LYS 16 -12.905 -8.339 5.030 108 HZ2 LYS 16 HZ2 LYS 16 -12.609 -9.143 3.563 109 HZ3 LYS 16 HZ3 LYS 16 -14.065 -8.298 3.793 110 H ASN 17 H ASN 17 -7.781 -7.531 2.263 111 HA ASN 17 HA ASN 17 -7.800 -10.413 2.910 112 HB2 ASN 17 HB3 ASN 17 -8.021 -8.970 0.250 113 HB3 ASN 17 HB2 ASN 17 -8.254 -10.700 0.495 114 HD21 ASN 17 HD21 ASN 17 -10.000 -7.913 0.127 115 HD22 ASN 17 HD22 ASN 17 -11.386 -8.319 1.018 116 H PHE 18 H PHE 18 -5.473 -8.075 2.310 117 HA PHE 18 HA PHE 18 -3.609 -10.092 1.124 118 HB2 PHE 18 HB3 PHE 18 -3.986 -7.905 -0.116 119 HB3 PHE 18 HB2 PHE 18 -3.211 -7.094 1.243 120 HD1 PHE 18 HD2 PHE 18 -2.717 -9.568 -1.471 121 HD2 PHE 18 HD1 PHE 18 -0.840 -7.212 1.588 122 HE1 PHE 18 HE2 PHE 18 -0.490 -10.116 -2.415 123 HE2 PHE 18 HE1 PHE 18 1.383 -7.751 0.641 124 HZ PHE 18 HZ PHE 18 1.562 -9.207 -1.358 125 H ASP 19 H ASP 19 -1.820 -10.681 2.307 126 HA ASP 19 HA ASP 19 -1.713 -9.796 5.099 127 HB2 ASP 19 HB3 ASP 19 0.072 -11.702 3.552 128 HB3 ASP 19 HB2 ASP 19 0.106 -11.454 5.299 129 H CYS 20 H CYS 20 -1.158 -7.561 4.755 130 HA CYS 20 HA CYS 20 1.175 -6.720 3.299 131 HB2 CYS 20 HB3 CYS 20 -0.094 -5.304 5.658 132 HB3 CYS 20 HB2 CYS 20 0.811 -4.580 4.328 133 H ARG 21 H ARG 21 0.591 -7.726 6.619 134 HA ARG 21 HA ARG 21 3.067 -6.904 7.765 135 HB2 ARG 21 HB3 ARG 21 0.899 -7.890 8.848 136 HB3 ARG 21 HB2 ARG 21 1.657 -9.450 8.542 137 HG2 ARG 21 HG3 ARG 21 2.972 -7.188 10.074 138 HG3 ARG 21 HG2 ARG 21 2.138 -8.543 10.829 139 HD2 ARG 21 HD3 ARG 21 3.720 -10.056 9.482 140 HD3 ARG 21 HD2 ARG 21 4.664 -8.598 9.178 141 HE ARG 21 HE ARG 21 4.378 -9.954 11.776 142 HH11 ARG 21 HH21 ARG 21 5.330 -7.194 9.939 143 HH12 ARG 21 HH22 ARG 21 6.384 -6.577 11.167 144 HH21 ARG 21 HH11 ARG 21 5.743 -9.155 13.391 145 HH22 ARG 21 HH12 ARG 21 6.616 -7.685 13.118 146 H ARG 22 H ARG 22 2.107 -10.003 6.265 147 HA ARG 22 HA ARG 22 4.710 -11.203 6.530 148 HB2 ARG 22 HB3 ARG 22 3.118 -12.830 6.147 149 HB3 ARG 22 HB2 ARG 22 2.200 -11.813 5.039 150 HG2 ARG 22 HG3 ARG 22 3.729 -12.185 3.260 151 HG3 ARG 22 HG2 ARG 22 4.937 -12.867 4.347 152 HD2 ARG 22 HD3 ARG 22 3.498 -14.799 4.779 153 HD3 ARG 22 HD2 ARG 22 2.229 -14.103 3.773 154 HE ARG 22 HE ARG 22 4.669 -15.417 2.811 155 HH11 ARG 22 HH21 ARG 22 2.067 -13.240 2.192 156 HH12 ARG 22 HH22 ARG 22 2.134 -13.439 0.473 157 HH21 ARG 22 HH11 ARG 22 4.772 -15.686 0.570 158 HH22 ARG 22 HH12 ARG 22 3.662 -14.826 -0.446 159 H SER 23 H SER 23 3.050 -9.553 3.862 160 HA SER 23 HA SER 23 5.170 -9.808 1.968 161 HB2 SER 23 HB3 SER 23 3.044 -7.662 2.221 162 HB3 SER 23 HB2 SER 23 4.025 -7.960 0.789 163 HG SER 23 HG SER 23 1.993 -9.514 1.949 164 H LEU 24 H LEU 24 4.518 -7.443 4.517 165 HA LEU 24 HA LEU 24 6.511 -5.533 3.736 166 HB2 LEU 24 HB3 LEU 24 4.743 -4.986 5.352 167 HB3 LEU 24 HB2 LEU 24 5.400 -6.165 6.486 168 HG LEU 24 HG LEU 24 7.588 -4.869 6.385 169 HD11 LEU 24 HD11 LEU 24 7.441 -3.553 4.453 170 HD12 LEU 24 HD12 LEU 24 7.115 -2.390 5.739 171 HD13 LEU 24 HD13 LEU 24 5.783 -3.060 4.797 172 HD21 LEU 24 HD21 LEU 24 6.411 -4.533 8.366 173 HD22 LEU 24 HD22 LEU 24 5.020 -3.833 7.541 174 HD23 LEU 24 HD23 LEU 24 6.497 -2.888 7.735 175 H ARG 25 H ARG 25 6.634 -8.174 6.159 176 HA ARG 25 HA ARG 25 9.413 -7.738 6.768 177 HB2 ARG 25 HB3 ARG 25 9.309 -9.911 7.893 178 HB3 ARG 25 HB2 ARG 25 7.864 -8.975 8.269 179 HG2 ARG 25 HG3 ARG 25 6.683 -10.165 6.414 180 HG3 ARG 25 HG2 ARG 25 8.103 -11.192 6.220 181 HD2 ARG 25 HD3 ARG 25 7.885 -11.871 8.611 182 HD3 ARG 25 HD2 ARG 25 6.405 -10.919 8.716 183 HE ARG 25 HE ARG 25 6.505 -13.007 6.622 184 HH11 ARG 25 HH21 ARG 25 5.468 -11.881 9.713 185 HH12 ARG 25 HH22 ARG 25 4.169 -13.019 9.837 186 HH21 ARG 25 HH11 ARG 25 4.810 -14.492 6.767 187 HH22 ARG 25 HH12 ARG 25 3.795 -14.492 8.171 188 H ASN 26 H ASN 26 7.763 -9.316 4.184 189 HA ASN 26 HA ASN 26 10.018 -10.997 3.389 190 HB2 ASN 26 HB3 ASN 26 7.482 -10.149 1.961 191 HB3 ASN 26 HB2 ASN 26 8.666 -11.260 1.275 192 HD21 ASN 26 HD21 ASN 26 5.924 -12.004 1.890 193 HD22 ASN 26 HD22 ASN 26 5.981 -13.188 3.104 194 H GLY 27 H GLY 27 9.487 -7.722 3.348 195 HA2 GLY 27 HA3 GLY 27 10.872 -6.048 2.398 196 HA3 GLY 27 HA2 GLY 27 11.662 -7.295 1.430 197 H ASP 28 H ASP 28 8.201 -7.211 1.419 198 HA ASP 28 HA ASP 28 8.009 -6.974 -1.404 199 HB2 ASP 28 HB3 ASP 28 6.223 -7.821 0.187 200 HB3 ASP 28 HB2 ASP 28 5.878 -6.137 0.582 201 H CYS 29 H CYS 29 7.769 -4.495 1.143 202 HA CYS 29 HA CYS 29 7.100 -2.314 -0.603 203 HB2 CYS 29 HB3 CYS 29 8.718 -2.130 1.954 204 HB3 CYS 29 HB2 CYS 29 7.705 -0.880 1.236 205 H ASP 30 H ASP 30 10.020 -4.048 -0.011 206 HA ASP 30 HA ASP 30 11.689 -1.882 -1.154 207 HB2 ASP 30 HB3 ASP 30 12.472 -3.122 0.858 208 HB3 ASP 30 HB2 ASP 30 12.494 -4.606 -0.094 209 H ASN 31 H ASN 31 9.815 -4.337 -2.362 210 HA ASN 31 HA ASN 31 11.730 -5.059 -4.515 211 HB2 ASN 31 HB3 ASN 31 10.323 -6.808 -3.324 212 HB3 ASN 31 HB2 ASN 31 8.914 -6.084 -4.095 213 HD21 ASN 31 HD21 ASN 31 9.411 -8.700 -4.779 214 HD22 ASN 31 HD22 ASN 31 10.056 -8.807 -6.346 215 H ASP 32 H ASP 32 11.719 -3.738 -6.259 216 HA ASP 32 HA ASP 32 9.780 -1.739 -6.789 217 HB2 ASP 32 HB3 ASP 32 11.709 -3.149 -8.657 218 HB3 ASP 32 HB2 ASP 32 10.777 -1.719 -9.101 219 H ASP 33 H ASP 33 9.988 -5.101 -7.763 220 HA ASP 33 HA ASP 33 7.908 -5.035 -9.740 221 HB2 ASP 33 HB3 ASP 33 9.637 -6.862 -9.416 222 HB3 ASP 33 HB2 ASP 33 8.696 -7.400 -8.025 223 H LYS 34 H LYS 34 7.862 -5.095 -6.252 224 HA LYS 34 HA LYS 34 4.922 -5.652 -6.347 225 HB2 LYS 34 HB3 LYS 34 6.702 -5.821 -3.909 226 HB3 LYS 34 HB2 LYS 34 5.067 -6.455 -4.103 227 HG2 LYS 34 HG3 LYS 34 6.018 -7.897 -5.998 228 HG3 LYS 34 HG2 LYS 34 7.610 -7.447 -5.388 229 HD2 LYS 34 HD3 LYS 34 6.975 -8.307 -3.146 230 HD3 LYS 34 HD2 LYS 34 5.423 -8.826 -3.807 231 HE2 LYS 34 HE3 LYS 34 6.703 -10.209 -5.490 232 HE3 LYS 34 HE2 LYS 34 8.174 -9.819 -4.599 233 HZ1 LYS 34 HZ1 LYS 34 6.499 -11.890 -4.071 234 HZ2 LYS 34 HZ2 LYS 34 6.056 -10.737 -2.905 235 HZ3 LYS 34 HZ3 LYS 34 7.666 -11.267 -3.010 236 H LEU 35 H LEU 35 7.020 -3.116 -6.211 237 HA LEU 35 HA LEU 35 6.104 -1.566 -4.016 238 HB2 LEU 35 HB3 LEU 35 7.327 -0.926 -6.674 239 HB3 LEU 35 HB2 LEU 35 6.648 0.392 -5.722 240 HG LEU 35 HG LEU 35 8.737 -1.582 -4.754 241 HD11 LEU 35 HD11 LEU 35 10.341 -0.041 -5.277 242 HD12 LEU 35 HD12 LEU 35 9.288 1.324 -4.904 243 HD13 LEU 35 HD13 LEU 35 9.145 0.500 -6.457 244 HD21 LEU 35 HD21 LEU 35 7.026 0.436 -3.430 245 HD22 LEU 35 HD22 LEU 35 8.738 0.526 -3.014 246 HD23 LEU 35 HD23 LEU 35 7.843 -0.969 -2.743 247 H LEU 36 H LEU 36 4.842 -1.839 -7.332 248 HA LEU 36 HA LEU 36 2.709 0.054 -6.948 249 HB2 LEU 36 HB3 LEU 36 3.502 -0.740 -9.186 250 HB3 LEU 36 HB2 LEU 36 2.795 -2.319 -8.840 251 HG LEU 36 HG LEU 36 0.999 0.009 -8.444 252 HD11 LEU 36 HD11 LEU 36 1.765 -0.932 -11.223 253 HD12 LEU 36 HD12 LEU 36 2.250 0.613 -10.520 254 HD13 LEU 36 HD13 LEU 36 0.545 0.278 -10.825 255 HD21 LEU 36 HD21 LEU 36 0.307 -2.312 -10.167 256 HD22 LEU 36 HD22 LEU 36 -0.623 -1.554 -8.874 257 HD23 LEU 36 HD23 LEU 36 0.669 -2.686 -8.482 258 H GLU 37 H GLU 37 3.002 -3.444 -6.474 259 HA GLU 37 HA GLU 37 0.263 -3.993 -5.920 260 HB2 GLU 37 HB3 GLU 37 2.735 -5.310 -4.750 261 HB3 GLU 37 HB2 GLU 37 1.110 -5.993 -4.756 262 HG2 GLU 37 HG3 GLU 37 1.115 -5.886 -7.251 263 HG3 GLU 37 HG2 GLU 37 2.786 -5.324 -7.191 264 H MET 38 H MET 38 2.915 -2.903 -3.826 265 HA MET 38 HA MET 38 1.377 -2.998 -1.382 266 HB2 MET 38 HB3 MET 38 3.867 -1.479 -2.170 267 HB3 MET 38 HB2 MET 38 3.213 -1.506 -0.531 268 HG2 MET 38 HG3 MET 38 3.981 -3.972 -2.115 269 HG3 MET 38 HG2 MET 38 5.010 -3.217 -0.899 270 HE1 MET 38 HE1 MET 38 1.976 -4.970 -1.910 271 HE2 MET 38 HE2 MET 38 1.345 -5.804 -0.494 272 HE3 MET 38 HE3 MET 38 2.883 -6.306 -1.189 273 H GLY 39 H GLY 39 2.250 -0.327 -3.589 274 HA2 GLY 39 HA3 GLY 39 0.913 1.739 -2.190 275 HA3 GLY 39 HA2 GLY 39 1.169 1.730 -3.938 276 H TYR 40 H TYR 40 -0.273 -0.828 -4.230 277 HA TYR 40 HA TYR 40 -3.002 0.307 -4.275 278 HB2 TYR 40 HB3 TYR 40 -2.224 -0.696 -6.336 279 HB3 TYR 40 HB2 TYR 40 -1.788 -2.185 -5.498 280 HD1 TYR 40 HD1 TYR 40 -3.574 -3.615 -4.484 281 HD2 TYR 40 HD2 TYR 40 -4.479 -0.262 -7.012 282 HE1 TYR 40 HE1 TYR 40 -5.866 -4.492 -4.827 283 HE2 TYR 40 HE2 TYR 40 -6.773 -1.137 -7.355 284 HH TYR 40 HH TYR 40 -7.902 -4.045 -5.653 285 H TYR 41 H TYR 41 -1.422 -2.729 -3.193 286 HA TYR 41 HA TYR 41 -3.826 -3.521 -1.740 287 HB2 TYR 41 HB3 TYR 41 -1.055 -4.706 -1.955 288 HB3 TYR 41 HB2 TYR 41 -2.300 -5.391 -0.916 289 HD1 TYR 41 HD1 TYR 41 -4.570 -5.968 -1.987 290 HD2 TYR 41 HD2 TYR 41 -1.005 -5.219 -4.262 291 HE1 TYR 41 HE1 TYR 41 -5.572 -7.123 -3.936 292 HE2 TYR 41 HE2 TYR 41 -2.009 -6.373 -6.212 293 HH TYR 41 HH TYR 41 -3.816 -7.360 -7.028 294 H CYS 42 H CYS 42 -0.488 -2.620 -0.712 295 HA CYS 42 HA CYS 42 -1.730 -1.787 1.869 296 HB2 CYS 42 HB3 CYS 42 0.998 -3.047 1.725 297 HB3 CYS 42 HB2 CYS 42 -0.036 -2.814 3.135 298 HA PRO 43 HA PRO 43 0.881 1.631 0.033 299 HB2 PRO 43 HB3 PRO 43 -0.997 3.583 0.501 300 HB3 PRO 43 HB2 PRO 43 -0.922 2.637 -0.999 301 HG2 PRO 43 HG3 PRO 43 -2.688 2.285 1.376 302 HG3 PRO 43 HG2 PRO 43 -3.077 2.147 -0.348 303 HD2 PRO 43 HD3 PRO 43 -2.676 -0.029 1.219 304 HD3 PRO 43 HD2 PRO 43 -2.229 -0.014 -0.501 305 H VAL 44 H VAL 44 -1.112 1.389 2.931 306 HA VAL 44 HA VAL 44 0.338 3.461 4.382 307 HB VAL 44 HB VAL 44 -1.556 1.295 5.340 308 HG11 VAL 44 HG11 VAL 44 0.139 3.123 6.776 309 HG12 VAL 44 HG12 VAL 44 -0.996 1.936 7.419 310 HG13 VAL 44 HG13 VAL 44 -1.547 3.567 7.037 311 HG21 VAL 44 HG21 VAL 44 -2.328 3.143 3.676 312 HG22 VAL 44 HG22 VAL 44 -2.156 4.234 5.051 313 HG23 VAL 44 HG23 VAL 44 -3.282 2.882 5.134 314 H THR 45 H THR 45 0.282 -0.099 4.416 315 HA THR 45 HA THR 45 2.135 -0.490 6.525 316 HB THR 45 HB THR 45 1.766 -2.235 4.083 317 HG1 THR 45 HG1 THR 45 0.179 -3.237 5.364 318 HG21 THR 45 HG21 THR 45 2.325 -4.014 5.847 319 HG22 THR 45 HG22 THR 45 2.892 -2.675 6.845 320 HG23 THR 45 HG23 THR 45 3.651 -2.998 5.288 321 H CYS 46 H CYS 46 2.728 0.023 3.043 322 HA CYS 46 HA CYS 46 5.609 -0.384 3.455 323 HB2 CYS 46 HB3 CYS 46 3.944 0.335 1.044 324 HB3 CYS 46 HB2 CYS 46 5.706 0.295 0.999 325 H GLY 47 H GLY 47 3.555 2.187 4.014 326 HA2 GLY 47 HA3 GLY 47 4.178 4.349 4.745 327 HA3 GLY 47 HA2 GLY 47 5.838 3.991 4.277 328 H PHE 48 H PHE 48 3.019 3.761 2.128 329 HA PHE 48 HA PHE 48 4.266 5.924 0.479 330 HB2 PHE 48 HB3 PHE 48 2.242 3.827 -0.362 331 HB3 PHE 48 HB2 PHE 48 3.063 4.976 -1.419 332 HD1 PHE 48 HD2 PHE 48 5.783 4.695 0.213 333 HD2 PHE 48 HD1 PHE 48 3.079 1.908 -1.622 334 HE1 PHE 48 HE2 PHE 48 7.642 3.089 -0.087 335 HE2 PHE 48 HE1 PHE 48 4.942 0.309 -1.924 336 HZ PHE 48 HZ PHE 48 7.222 0.894 -1.156 337 H CYS 49 H CYS 49 1.716 5.184 2.536 338 HA CYS 49 HA CYS 49 0.432 7.754 1.936 339 HB2 CYS 49 HB3 CYS 49 -0.584 5.793 0.489 340 HB3 CYS 49 HB2 CYS 49 -1.399 5.385 1.998 341 H GLU 50 H GLU 50 -1.535 7.975 3.553 342 HA GLU 50 HA GLU 50 -0.566 6.917 6.168 343 HB2 GLU 50 HB3 GLU 50 -1.730 9.477 5.271 344 HB3 GLU 50 HB2 GLU 50 -2.372 8.874 6.799 345 HG2 GLU 50 HG3 GLU 50 -0.066 8.622 7.662 346 HG3 GLU 50 HG2 GLU 50 0.565 9.252 6.139 347 HA PRO 51 HA PRO 51 -4.231 4.538 6.688 348 HB2 PRO 51 HB3 PRO 51 -4.700 4.849 9.381 349 HB3 PRO 51 HB2 PRO 51 -3.443 3.795 8.707 350 HG2 PRO 51 HG3 PRO 51 -3.204 6.496 9.910 351 HG3 PRO 51 HG2 PRO 51 -2.091 5.122 9.979 352 HD2 PRO 51 HD3 PRO 51 -1.719 7.303 8.343 353 HD3 PRO 51 HD2 PRO 51 -1.063 5.686 7.997 Start of MODEL 15 1 HA ASN 1 HA ASN 1 -21.057 20.433 -7.069 2 HB2 ASN 1 HB3 ASN 1 -23.441 22.282 -6.731 3 HB3 ASN 1 HB2 ASN 1 -21.811 22.633 -6.155 4 HD21 ASN 1 HD21 ASN 1 -23.108 24.277 -8.140 5 HD22 ASN 1 HD22 ASN 1 -22.265 24.099 -9.604 6 H ASP 2 H ASP 2 -22.055 18.218 -5.912 7 HA ASP 2 HA ASP 2 -23.423 18.716 -3.405 8 HB2 ASP 2 HB3 ASP 2 -21.782 16.345 -4.348 9 HB3 ASP 2 HB2 ASP 2 -22.741 16.372 -2.868 10 H ILE 3 H ILE 3 -22.502 18.906 -1.321 11 HA ILE 3 HA ILE 3 -19.776 19.959 -1.254 12 HB ILE 3 HB ILE 3 -21.659 19.322 1.041 13 HG12 ILE 3 HG13 ILE 3 -21.150 21.983 -0.324 14 HG13 ILE 3 HG12 ILE 3 -22.522 20.945 -0.711 15 HG21 ILE 3 HG21 ILE 3 -18.927 20.324 0.862 16 HG22 ILE 3 HG22 ILE 3 -19.841 19.831 2.286 17 HG23 ILE 3 HG23 ILE 3 -19.988 21.479 1.673 18 HD11 ILE 3 HD11 ILE 3 -23.137 21.005 1.743 19 HD12 ILE 3 HD12 ILE 3 -23.291 22.548 0.908 20 HD13 ILE 3 HD13 ILE 3 -21.903 22.246 1.951 21 H ARG 4 H ARG 4 -21.026 16.864 -1.254 22 HA ARG 4 HA ARG 4 -19.327 15.625 0.740 23 HB2 ARG 4 HB3 ARG 4 -20.683 14.444 -1.705 24 HB3 ARG 4 HB2 ARG 4 -19.967 13.515 -0.385 25 HG2 ARG 4 HG3 ARG 4 -21.533 14.613 1.205 26 HG3 ARG 4 HG2 ARG 4 -22.278 15.466 -0.148 27 HD2 ARG 4 HD3 ARG 4 -22.675 13.163 -1.192 28 HD3 ARG 4 HD2 ARG 4 -22.246 12.489 0.378 29 HE ARG 4 HE ARG 4 -24.766 13.718 -0.274 30 HH11 ARG 4 HH21 ARG 4 -22.340 13.424 2.151 31 HH12 ARG 4 HH22 ARG 4 -23.430 13.690 3.470 32 HH21 ARG 4 HH11 ARG 4 -26.216 14.059 1.429 33 HH22 ARG 4 HH12 ARG 4 -25.630 14.048 3.060 34 H THR 5 H THR 5 -18.599 17.151 -2.103 35 HA THR 5 HA THR 5 -16.576 15.317 -3.117 36 HB THR 5 HB THR 5 -17.908 17.266 -4.326 37 HG1 THR 5 HG1 THR 5 -15.295 16.328 -4.660 38 HG21 THR 5 HG21 THR 5 -16.805 19.359 -4.378 39 HG22 THR 5 HG22 THR 5 -15.351 18.705 -3.625 40 HG23 THR 5 HG23 THR 5 -16.816 18.923 -2.671 41 H ALA 6 H ALA 6 -16.682 16.929 -0.321 42 HA ALA 6 HA ALA 6 -14.125 18.298 -0.304 43 HB1 ALA 6 HB1 ALA 6 -14.613 18.825 1.889 44 HB2 ALA 6 HB2 ALA 6 -15.316 17.244 2.223 45 HB3 ALA 6 HB3 ALA 6 -16.240 18.448 1.325 46 H ALA 7 H ALA 7 -14.866 15.073 -0.517 47 HA ALA 7 HA ALA 7 -12.923 13.961 1.319 48 HB1 ALA 7 HB1 ALA 7 -13.220 11.944 -0.347 49 HB2 ALA 7 HB2 ALA 7 -14.541 12.923 -0.983 50 HB3 ALA 7 HB3 ALA 7 -14.556 12.414 0.705 51 H ASP 8 H ASP 8 -10.762 13.550 0.977 52 HA ASP 8 HA ASP 8 -9.634 14.375 -1.669 53 HB2 ASP 8 HB3 ASP 8 -8.417 14.335 1.106 54 HB3 ASP 8 HB2 ASP 8 -7.488 14.647 -0.360 55 H MET 9 H MET 9 -10.538 11.641 -0.171 56 HA MET 9 HA MET 9 -9.735 9.425 -0.113 57 HB2 MET 9 HB3 MET 9 -9.151 10.512 -2.848 58 HB3 MET 9 HB2 MET 9 -8.620 8.880 -2.436 59 HG2 MET 9 HG3 MET 9 -11.373 9.456 -1.595 60 HG3 MET 9 HG2 MET 9 -11.141 9.542 -3.339 61 HE1 MET 9 HE1 MET 9 -9.346 7.298 -0.538 62 HE2 MET 9 HE2 MET 9 -10.494 5.964 -0.549 63 HE3 MET 9 HE3 MET 9 -11.047 7.584 -0.140 64 H GLU 10 H GLU 10 -7.795 11.725 0.629 65 HA GLU 10 HA GLU 10 -5.155 10.790 -0.074 66 HB2 GLU 10 HB3 GLU 10 -5.722 13.128 0.693 67 HB3 GLU 10 HB2 GLU 10 -5.954 12.479 2.317 68 HG2 GLU 10 HG3 GLU 10 -3.625 11.660 2.325 69 HG3 GLU 10 HG2 GLU 10 -3.387 12.314 0.704 70 H HIS 11 H HIS 11 -7.496 9.471 1.937 71 HA HIS 11 HA HIS 11 -5.488 8.291 3.785 72 HB2 HIS 11 HB3 HIS 11 -8.495 7.969 3.878 73 HB3 HIS 11 HB2 HIS 11 -7.337 7.662 5.172 74 HD1 HIS 11 HD1 HIS 11 -9.401 10.306 3.665 75 HD2 HIS 11 HD2 HIS 11 -6.091 10.135 6.199 76 HE1 HIS 11 HE1 HIS 11 -9.187 12.600 4.722 77 HE2 HIS 11 HE2 HIS 11 -7.167 12.510 6.255 78 H CYS 12 H CYS 12 -4.752 6.308 3.343 79 HA CYS 12 HA CYS 12 -6.401 4.532 1.591 80 HB2 CYS 12 HB3 CYS 12 -3.427 4.246 2.018 81 HB3 CYS 12 HB2 CYS 12 -4.420 3.585 0.716 82 H ALA 13 H ALA 13 -6.107 2.180 2.160 83 HA ALA 13 HA ALA 13 -5.360 1.813 5.020 84 HB1 ALA 13 HB1 ALA 13 -7.400 0.782 5.568 85 HB2 ALA 13 HB2 ALA 13 -7.835 0.534 3.875 86 HB3 ALA 13 HB3 ALA 13 -7.892 2.154 4.573 87 H ASP 14 H ASP 14 -4.659 -0.337 5.523 88 HA ASP 14 HA ASP 14 -3.411 -1.723 3.337 89 HB2 ASP 14 HB3 ASP 14 -3.918 -2.596 6.198 90 HB3 ASP 14 HB2 ASP 14 -2.914 -3.483 5.049 91 H GLU 15 H GLU 15 -4.146 -3.396 2.116 92 HA GLU 15 HA GLU 15 -6.932 -3.966 1.972 93 HB2 GLU 15 HB3 GLU 15 -4.461 -4.938 0.720 94 HB3 GLU 15 HB2 GLU 15 -5.708 -6.174 0.853 95 HG2 GLU 15 HG3 GLU 15 -5.782 -4.755 -1.266 96 HG3 GLU 15 HG2 GLU 15 -7.287 -4.857 -0.358 97 H LYS 16 H LYS 16 -8.174 -5.572 2.925 98 HA LYS 16 HA LYS 16 -7.033 -6.884 5.277 99 HB2 LYS 16 HB3 LYS 16 -9.298 -7.633 5.706 100 HB3 LYS 16 HB2 LYS 16 -9.352 -5.940 5.216 101 HG2 LYS 16 HG3 LYS 16 -9.830 -6.702 2.872 102 HG3 LYS 16 HG2 LYS 16 -9.946 -8.352 3.484 103 HD2 LYS 16 HD3 LYS 16 -11.677 -7.505 5.131 104 HD3 LYS 16 HD2 LYS 16 -11.680 -5.989 4.231 105 HE2 LYS 16 HE3 LYS 16 -11.908 -8.092 2.331 106 HE3 LYS 16 HE2 LYS 16 -13.064 -8.424 3.619 107 HZ1 LYS 16 HZ1 LYS 16 -14.298 -6.665 3.074 108 HZ2 LYS 16 HZ2 LYS 16 -13.468 -6.701 1.592 109 HZ3 LYS 16 HZ3 LYS 16 -12.955 -5.659 2.832 110 H ASN 17 H ASN 17 -7.870 -7.778 1.995 111 HA ASN 17 HA ASN 17 -7.631 -10.656 2.573 112 HB2 ASN 17 HB3 ASN 17 -7.896 -9.216 -0.081 113 HB3 ASN 17 HB2 ASN 17 -8.104 -10.946 0.194 114 HD21 ASN 17 HD21 ASN 17 -9.895 -8.214 -0.251 115 HD22 ASN 17 HD22 ASN 17 -11.274 -8.614 0.653 116 H PHE 18 H PHE 18 -5.429 -8.204 2.182 117 HA PHE 18 HA PHE 18 -3.454 -10.037 0.881 118 HB2 PHE 18 HB3 PHE 18 -3.928 -7.796 -0.242 119 HB3 PHE 18 HB2 PHE 18 -3.191 -7.032 1.166 120 HD1 PHE 18 HD1 PHE 18 -0.801 -7.341 1.661 121 HD2 PHE 18 HD2 PHE 18 -2.596 -9.062 -1.841 122 HE1 PHE 18 HE1 PHE 18 1.448 -7.739 0.703 123 HE2 PHE 18 HE2 PHE 18 -0.343 -9.464 -2.797 124 HZ PHE 18 HZ PHE 18 1.681 -8.803 -1.524 125 H ASP 19 H ASP 19 -1.753 -10.700 2.144 126 HA ASP 19 HA ASP 19 -1.705 -9.871 4.952 127 HB2 ASP 19 HB3 ASP 19 0.085 -11.749 3.380 128 HB3 ASP 19 HB2 ASP 19 0.155 -11.514 5.126 129 H CYS 20 H CYS 20 -1.141 -7.636 4.705 130 HA CYS 20 HA CYS 20 1.215 -6.753 3.306 131 HB2 CYS 20 HB3 CYS 20 -0.085 -5.365 5.656 132 HB3 CYS 20 HB2 CYS 20 0.761 -4.631 4.294 133 H ARG 21 H ARG 21 0.562 -7.774 6.614 134 HA ARG 21 HA ARG 21 2.995 -6.925 7.818 135 HB2 ARG 21 HB3 ARG 21 0.844 -7.955 8.860 136 HB3 ARG 21 HB2 ARG 21 1.602 -9.506 8.518 137 HG2 ARG 21 HG3 ARG 21 2.842 -7.285 10.171 138 HG3 ARG 21 HG2 ARG 21 2.082 -8.732 10.826 139 HD2 ARG 21 HD3 ARG 21 3.766 -10.060 9.400 140 HD3 ARG 21 HD2 ARG 21 4.623 -8.531 9.207 141 HE ARG 21 HE ARG 21 4.418 -10.083 11.697 142 HH11 ARG 21 HH21 ARG 21 5.152 -7.132 10.077 143 HH12 ARG 21 HH22 ARG 21 6.143 -6.517 11.359 144 HH21 ARG 21 HH11 ARG 21 5.709 -9.299 13.387 145 HH22 ARG 21 HH12 ARG 21 6.454 -7.741 13.232 146 H ARG 22 H ARG 22 2.128 -10.021 6.274 147 HA ARG 22 HA ARG 22 4.746 -11.178 6.591 148 HB2 ARG 22 HB3 ARG 22 3.188 -12.828 6.221 149 HB3 ARG 22 HB2 ARG 22 2.254 -11.840 5.102 150 HG2 ARG 22 HG3 ARG 22 3.793 -12.210 3.328 151 HG3 ARG 22 HG2 ARG 22 5.000 -12.880 4.426 152 HD2 ARG 22 HD3 ARG 22 3.959 -14.736 3.292 153 HD3 ARG 22 HD2 ARG 22 3.353 -14.729 4.947 154 HE ARG 22 HE ARG 22 1.442 -13.267 3.694 155 HH11 ARG 22 HH21 ARG 22 3.080 -16.181 2.865 156 HH12 ARG 22 HH22 ARG 22 1.742 -16.842 1.990 157 HH21 ARG 22 HH11 ARG 22 -0.309 -14.094 2.547 158 HH22 ARG 22 HH12 ARG 22 -0.188 -15.657 1.809 159 H SER 23 H SER 23 3.104 -9.595 3.863 160 HA SER 23 HA SER 23 5.268 -9.833 2.018 161 HB2 SER 23 HB3 SER 23 3.088 -7.742 2.252 162 HB3 SER 23 HB2 SER 23 4.157 -7.910 0.864 163 HG SER 23 HG SER 23 1.932 -9.269 1.460 164 H LEU 24 H LEU 24 4.496 -7.437 4.509 165 HA LEU 24 HA LEU 24 6.491 -5.514 3.810 166 HB2 LEU 24 HB3 LEU 24 4.639 -5.062 5.383 167 HB3 LEU 24 HB2 LEU 24 5.363 -6.170 6.545 168 HG LEU 24 HG LEU 24 7.481 -4.734 6.369 169 HD11 LEU 24 HD11 LEU 24 7.240 -3.389 4.506 170 HD12 LEU 24 HD12 LEU 24 6.684 -2.282 5.761 171 HD13 LEU 24 HD13 LEU 24 5.514 -3.148 4.766 172 HD21 LEU 24 HD21 LEU 24 4.893 -4.012 7.665 173 HD22 LEU 24 HD22 LEU 24 6.178 -2.804 7.701 174 HD23 LEU 24 HD23 LEU 24 6.449 -4.400 8.398 175 H ARG 25 H ARG 25 6.599 -8.181 6.206 176 HA ARG 25 HA ARG 25 9.361 -7.688 6.876 177 HB2 ARG 25 HB3 ARG 25 9.289 -9.858 8.002 178 HB3 ARG 25 HB2 ARG 25 7.800 -8.976 8.348 179 HG2 ARG 25 HG3 ARG 25 6.703 -10.199 6.469 180 HG3 ARG 25 HG2 ARG 25 8.164 -11.163 6.284 181 HD2 ARG 25 HD3 ARG 25 7.929 -11.891 8.663 182 HD3 ARG 25 HD2 ARG 25 6.403 -11.010 8.750 183 HE ARG 25 HE ARG 25 5.401 -12.788 7.572 184 HH11 ARG 25 HH21 ARG 25 8.814 -12.703 7.156 185 HH12 ARG 25 HH22 ARG 25 8.880 -14.158 6.222 186 HH21 ARG 25 HH11 ARG 25 5.452 -14.695 6.350 187 HH22 ARG 25 HH12 ARG 25 6.969 -15.301 5.778 188 H ASN 26 H ASN 26 7.768 -9.220 4.244 189 HA ASN 26 HA ASN 26 10.036 -10.894 3.461 190 HB2 ASN 26 HB3 ASN 26 7.511 -10.056 2.011 191 HB3 ASN 26 HB2 ASN 26 8.701 -11.175 1.351 192 HD21 ASN 26 HD21 ASN 26 5.999 -11.997 1.898 193 HD22 ASN 26 HD22 ASN 26 6.041 -13.129 3.162 194 H GLY 27 H GLY 27 9.550 -7.621 3.432 195 HA2 GLY 27 HA3 GLY 27 10.925 -5.955 2.463 196 HA3 GLY 27 HA2 GLY 27 11.720 -7.211 1.512 197 H ASP 28 H ASP 28 8.266 -7.108 1.497 198 HA ASP 28 HA ASP 28 8.108 -6.868 -1.336 199 HB2 ASP 28 HB3 ASP 28 6.334 -7.798 0.216 200 HB3 ASP 28 HB2 ASP 28 5.934 -6.133 0.638 201 H CYS 29 H CYS 29 7.758 -4.420 1.247 202 HA CYS 29 HA CYS 29 7.039 -2.251 -0.495 203 HB2 CYS 29 HB3 CYS 29 8.603 -2.053 2.097 204 HB3 CYS 29 HB2 CYS 29 7.626 -0.792 1.346 205 H ASP 30 H ASP 30 9.999 -3.901 0.080 206 HA ASP 30 HA ASP 30 11.623 -1.685 -1.039 207 HB2 ASP 30 HB3 ASP 30 12.355 -4.361 0.185 208 HB3 ASP 30 HB2 ASP 30 13.538 -3.235 -0.481 209 H ASN 31 H ASN 31 9.806 -4.149 -2.283 210 HA ASN 31 HA ASN 31 11.755 -4.869 -4.413 211 HB2 ASN 31 HB3 ASN 31 10.330 -6.589 -3.168 212 HB3 ASN 31 HB2 ASN 31 8.951 -5.922 -4.037 213 HD21 ASN 31 HD21 ASN 31 9.446 -8.537 -4.592 214 HD22 ASN 31 HD22 ASN 31 10.191 -8.725 -6.105 215 H ASP 32 H ASP 32 11.748 -3.501 -6.136 216 HA ASP 32 HA ASP 32 9.750 -1.591 -6.739 217 HB2 ASP 32 HB3 ASP 32 11.785 -2.931 -8.545 218 HB3 ASP 32 HB2 ASP 32 10.795 -1.556 -9.037 219 H ASP 33 H ASP 33 10.061 -4.954 -7.666 220 HA ASP 33 HA ASP 33 8.013 -4.949 -9.679 221 HB2 ASP 33 HB3 ASP 33 9.250 -7.105 -7.969 222 HB3 ASP 33 HB2 ASP 33 8.049 -7.446 -9.211 223 H LYS 34 H LYS 34 7.909 -4.991 -6.192 224 HA LYS 34 HA LYS 34 5.009 -5.713 -6.324 225 HB2 LYS 34 HB3 LYS 34 6.753 -5.720 -3.855 226 HB3 LYS 34 HB2 LYS 34 5.163 -6.455 -4.059 227 HG2 LYS 34 HG3 LYS 34 6.211 -7.898 -5.884 228 HG3 LYS 34 HG2 LYS 34 7.773 -7.318 -5.308 229 HD2 LYS 34 HD3 LYS 34 7.235 -8.137 -3.034 230 HD3 LYS 34 HD2 LYS 34 5.700 -8.766 -3.636 231 HE2 LYS 34 HE3 LYS 34 6.691 -10.607 -4.474 232 HE3 LYS 34 HE2 LYS 34 7.924 -9.647 -5.291 233 HZ1 LYS 34 HZ1 LYS 34 9.362 -10.298 -3.762 234 HZ2 LYS 34 HZ2 LYS 34 8.155 -11.162 -2.933 235 HZ3 LYS 34 HZ3 LYS 34 8.444 -9.529 -2.561 236 H LEU 35 H LEU 35 7.034 -3.082 -6.097 237 HA LEU 35 HA LEU 35 5.961 -1.539 -3.989 238 HB2 LEU 35 HB3 LEU 35 7.222 -0.903 -6.627 239 HB3 LEU 35 HB2 LEU 35 6.472 0.406 -5.717 240 HG LEU 35 HG LEU 35 8.590 -1.480 -4.640 241 HD11 LEU 35 HD11 LEU 35 9.065 1.437 -4.948 242 HD12 LEU 35 HD12 LEU 35 9.022 0.492 -6.438 243 HD13 LEU 35 HD13 LEU 35 10.179 0.086 -5.169 244 HD21 LEU 35 HD21 LEU 35 7.643 -0.786 -2.677 245 HD22 LEU 35 HD22 LEU 35 6.823 0.574 -3.443 246 HD23 LEU 35 HD23 LEU 35 8.526 0.706 -2.999 247 H LEU 36 H LEU 36 4.780 -1.939 -7.331 248 HA LEU 36 HA LEU 36 2.566 -0.126 -7.043 249 HB2 LEU 36 HB3 LEU 36 3.400 -0.949 -9.245 250 HB3 LEU 36 HB2 LEU 36 2.796 -2.557 -8.845 251 HG LEU 36 HG LEU 36 0.826 -0.382 -8.513 252 HD11 LEU 36 HD11 LEU 36 0.388 -0.230 -10.946 253 HD12 LEU 36 HD12 LEU 36 1.822 -1.209 -11.257 254 HD13 LEU 36 HD13 LEU 36 1.986 0.397 -10.542 255 HD21 LEU 36 HD21 LEU 36 -0.657 -2.049 -9.413 256 HD22 LEU 36 HD22 LEU 36 0.448 -2.895 -8.328 257 HD23 LEU 36 HD23 LEU 36 0.690 -2.976 -10.072 258 H GLU 37 H GLU 37 2.980 -3.593 -6.459 259 HA GLU 37 HA GLU 37 0.256 -4.220 -5.895 260 HB2 GLU 37 HB3 GLU 37 2.788 -5.417 -4.725 261 HB3 GLU 37 HB2 GLU 37 1.189 -6.158 -4.667 262 HG2 GLU 37 HG3 GLU 37 1.136 -6.118 -7.169 263 HG3 GLU 37 HG2 GLU 37 2.795 -5.519 -7.152 264 H MET 38 H MET 38 2.880 -2.993 -3.863 265 HA MET 38 HA MET 38 1.390 -3.107 -1.394 266 HB2 MET 38 HB3 MET 38 3.813 -1.525 -2.265 267 HB3 MET 38 HB2 MET 38 3.188 -1.517 -0.618 268 HG2 MET 38 HG3 MET 38 4.024 -4.002 -2.139 269 HG3 MET 38 HG2 MET 38 5.024 -3.187 -0.941 270 HE1 MET 38 HE1 MET 38 2.923 -6.411 -1.045 271 HE2 MET 38 HE2 MET 38 2.157 -5.110 -1.950 272 HE3 MET 38 HE3 MET 38 1.360 -5.768 -0.526 273 H GLY 39 H GLY 39 2.036 -0.485 -3.729 274 HA2 GLY 39 HA3 GLY 39 0.647 1.557 -2.308 275 HA3 GLY 39 HA2 GLY 39 0.898 1.543 -4.055 276 H TYR 40 H TYR 40 -0.436 -1.114 -4.256 277 HA TYR 40 HA TYR 40 -3.216 -0.103 -4.353 278 HB2 TYR 40 HB3 TYR 40 -2.391 -1.120 -6.383 279 HB3 TYR 40 HB2 TYR 40 -1.854 -2.552 -5.503 280 HD1 TYR 40 HD1 TYR 40 -3.521 -4.091 -4.481 281 HD2 TYR 40 HD2 TYR 40 -4.681 -0.833 -7.021 282 HE1 TYR 40 HE1 TYR 40 -5.754 -5.125 -4.781 283 HE2 TYR 40 HE2 TYR 40 -6.916 -1.863 -7.323 284 HH TYR 40 HH TYR 40 -8.320 -3.448 -6.558 285 H TYR 41 H TYR 41 -1.505 -3.042 -3.231 286 HA TYR 41 HA TYR 41 -3.845 -3.935 -1.755 287 HB2 TYR 41 HB3 TYR 41 -1.003 -4.933 -1.930 288 HB3 TYR 41 HB2 TYR 41 -2.207 -5.683 -0.885 289 HD1 TYR 41 HD1 TYR 41 -4.436 -6.432 -1.972 290 HD2 TYR 41 HD2 TYR 41 -0.908 -5.483 -4.228 291 HE1 TYR 41 HE1 TYR 41 -5.342 -7.683 -3.912 292 HE2 TYR 41 HE2 TYR 41 -1.813 -6.733 -6.169 293 HH TYR 41 HH TYR 41 -3.621 -8.786 -6.357 294 H CYS 42 H CYS 42 -0.601 -2.734 -0.756 295 HA CYS 42 HA CYS 42 -1.924 -1.877 1.767 296 HB2 CYS 42 HB3 CYS 42 0.822 -3.088 1.815 297 HB3 CYS 42 HB2 CYS 42 -0.311 -2.853 3.144 298 HA PRO 43 HA PRO 43 0.725 1.498 -0.064 299 HB2 PRO 43 HB3 PRO 43 -1.138 3.471 0.333 300 HB3 PRO 43 HB2 PRO 43 -1.069 2.486 -1.140 301 HG2 PRO 43 HG3 PRO 43 -2.834 2.198 1.245 302 HG3 PRO 43 HG2 PRO 43 -3.233 2.044 -0.475 303 HD2 PRO 43 HD3 PRO 43 -2.856 -0.122 1.107 304 HD3 PRO 43 HD2 PRO 43 -2.396 -0.126 -0.610 305 H VAL 44 H VAL 44 -1.302 1.303 2.819 306 HA VAL 44 HA VAL 44 0.153 3.384 4.258 307 HB VAL 44 HB VAL 44 -1.712 1.235 5.304 308 HG11 VAL 44 HG11 VAL 44 -1.921 3.496 6.885 309 HG12 VAL 44 HG12 VAL 44 -0.195 3.415 6.534 310 HG13 VAL 44 HG13 VAL 44 -1.005 2.044 7.293 311 HG21 VAL 44 HG21 VAL 44 -3.050 2.448 3.819 312 HG22 VAL 44 HG22 VAL 44 -2.161 3.946 4.090 313 HG23 VAL 44 HG23 VAL 44 -3.271 3.344 5.321 314 H THR 45 H THR 45 0.092 -0.168 4.249 315 HA THR 45 HA THR 45 1.891 -0.619 6.395 316 HB THR 45 HB THR 45 1.586 -2.259 3.869 317 HG1 THR 45 HG1 THR 45 -0.388 -2.236 4.700 318 HG21 THR 45 HG21 THR 45 3.148 -3.566 4.800 319 HG22 THR 45 HG22 THR 45 2.030 -3.876 6.127 320 HG23 THR 45 HG23 THR 45 3.197 -2.560 6.246 321 H CYS 46 H CYS 46 2.539 -0.021 2.946 322 HA CYS 46 HA CYS 46 5.423 -0.335 3.403 323 HB2 CYS 46 HB3 CYS 46 3.754 0.310 0.975 324 HB3 CYS 46 HB2 CYS 46 5.517 0.361 0.940 325 H GLY 47 H GLY 47 3.273 2.159 3.933 326 HA2 GLY 47 HA3 GLY 47 3.803 4.336 4.695 327 HA3 GLY 47 HA2 GLY 47 5.484 4.047 4.252 328 H PHE 48 H PHE 48 2.695 3.718 2.094 329 HA PHE 48 HA PHE 48 3.875 5.911 0.438 330 HB2 PHE 48 HB3 PHE 48 1.904 3.748 -0.362 331 HB3 PHE 48 HB2 PHE 48 2.665 4.917 -1.438 332 HD1 PHE 48 HD2 PHE 48 5.390 4.723 0.257 333 HD2 PHE 48 HD1 PHE 48 2.824 1.892 -1.709 334 HE1 PHE 48 HE2 PHE 48 7.309 3.200 -0.047 335 HE2 PHE 48 HE1 PHE 48 4.752 0.371 -2.013 336 HZ PHE 48 HZ PHE 48 6.993 1.022 -1.180 337 H CYS 49 H CYS 49 1.348 5.079 2.508 338 HA CYS 49 HA CYS 49 -0.172 7.486 1.607 339 HB2 CYS 49 HB3 CYS 49 -1.149 4.720 2.164 340 HB3 CYS 49 HB2 CYS 49 -2.175 6.069 2.650 341 H GLU 50 H GLU 50 -1.604 8.319 3.449 342 HA GLU 50 HA GLU 50 -0.044 8.141 5.981 343 HB2 GLU 50 HB3 GLU 50 -1.926 10.233 4.871 344 HB3 GLU 50 HB2 GLU 50 -1.391 10.244 6.551 345 HG2 GLU 50 HG3 GLU 50 0.010 11.667 5.000 346 HG3 GLU 50 HG2 GLU 50 0.917 10.450 5.900 347 HA PRO 51 HA PRO 51 -3.383 5.432 7.409 348 HB2 PRO 51 HB3 PRO 51 -2.310 6.323 10.043 349 HB3 PRO 51 HB2 PRO 51 -2.626 4.682 9.449 350 HG2 PRO 51 HG3 PRO 51 -0.150 5.735 9.636 351 HG3 PRO 51 HG2 PRO 51 -0.600 4.515 8.440 352 HD2 PRO 51 HD3 PRO 51 0.007 7.372 8.042 353 HD3 PRO 51 HD2 PRO 51 0.007 6.047 6.858 Start of MODEL 16 1 HA ASN 1 HA ASN 1 -26.362 18.944 3.945 2 HB2 ASN 1 HB3 ASN 1 -24.233 18.827 1.787 3 HB3 ASN 1 HB2 ASN 1 -25.942 18.450 1.578 4 HD21 ASN 1 HD21 ASN 1 -27.102 20.569 3.084 5 HD22 ASN 1 HD22 ASN 1 -26.744 22.041 2.318 6 H ASP 2 H ASP 2 -25.028 16.876 1.925 7 HA ASP 2 HA ASP 2 -25.258 14.612 3.669 8 HB2 ASP 2 HB3 ASP 2 -23.951 14.889 0.943 9 HB3 ASP 2 HB2 ASP 2 -24.269 13.350 1.745 10 H ILE 3 H ILE 3 -23.663 13.447 4.765 11 HA ILE 3 HA ILE 3 -21.184 14.855 5.343 12 HB ILE 3 HB ILE 3 -22.039 12.043 6.105 13 HG12 ILE 3 HG13 ILE 3 -22.217 14.648 7.657 14 HG13 ILE 3 HG12 ILE 3 -23.583 13.861 6.863 15 HG21 ILE 3 HG21 ILE 3 -20.355 13.116 8.052 16 HG22 ILE 3 HG22 ILE 3 -19.619 13.630 6.536 17 HG23 ILE 3 HG23 ILE 3 -19.900 11.916 6.842 18 HD11 ILE 3 HD11 ILE 3 -23.680 13.133 9.125 19 HD12 ILE 3 HD12 ILE 3 -21.940 12.840 9.186 20 HD13 ILE 3 HD13 ILE 3 -22.983 11.780 8.236 21 H ARG 4 H ARG 4 -22.063 13.120 2.707 22 HA ARG 4 HA ARG 4 -19.664 11.486 2.380 23 HB2 ARG 4 HB3 ARG 4 -21.699 12.375 0.310 24 HB3 ARG 4 HB2 ARG 4 -20.524 11.072 0.127 25 HG2 ARG 4 HG3 ARG 4 -22.624 11.112 2.308 26 HG3 ARG 4 HG2 ARG 4 -22.862 10.314 0.754 27 HD2 ARG 4 HD3 ARG 4 -20.700 9.038 1.227 28 HD3 ARG 4 HD2 ARG 4 -20.802 9.665 2.874 29 HE ARG 4 HE ARG 4 -23.296 8.543 2.445 30 HH11 ARG 4 HH21 ARG 4 -20.011 7.532 2.182 31 HH12 ARG 4 HH22 ARG 4 -20.360 5.864 2.499 32 HH21 ARG 4 HH11 ARG 4 -23.772 6.375 2.863 33 HH22 ARG 4 HH12 ARG 4 -22.490 5.210 2.887 34 H THR 5 H THR 5 -20.036 14.717 2.474 35 HA THR 5 HA THR 5 -18.477 15.443 0.102 36 HB THR 5 HB THR 5 -20.271 16.878 1.327 37 HG1 THR 5 HG1 THR 5 -17.883 17.549 0.158 38 HG21 THR 5 HG21 THR 5 -19.034 16.513 3.552 39 HG22 THR 5 HG22 THR 5 -19.554 18.161 3.191 40 HG23 THR 5 HG23 THR 5 -17.867 17.697 2.960 41 H ALA 6 H ALA 6 -17.742 14.123 3.097 42 HA ALA 6 HA ALA 6 -15.222 15.572 3.509 43 HB1 ALA 6 HB1 ALA 6 -16.837 13.615 4.974 44 HB2 ALA 6 HB2 ALA 6 -15.730 14.841 5.592 45 HB3 ALA 6 HB3 ALA 6 -15.109 13.278 5.061 46 H ALA 7 H ALA 7 -16.239 13.163 1.423 47 HA ALA 7 HA ALA 7 -14.092 11.301 1.473 48 HB1 ALA 7 HB1 ALA 7 -15.965 12.229 -0.699 49 HB2 ALA 7 HB2 ALA 7 -15.944 10.683 0.152 50 HB3 ALA 7 HB3 ALA 7 -14.694 11.055 -1.035 51 H ASP 8 H ASP 8 -12.103 11.258 0.403 52 HA ASP 8 HA ASP 8 -11.282 13.432 -1.369 53 HB2 ASP 8 HB3 ASP 8 -11.054 14.468 0.889 54 HB3 ASP 8 HB2 ASP 8 -9.960 13.165 1.348 55 H MET 9 H MET 9 -11.169 10.307 -0.380 56 HA MET 9 HA MET 9 -9.723 8.503 -0.783 57 HB2 MET 9 HB3 MET 9 -9.152 10.321 -3.137 58 HB3 MET 9 HB2 MET 9 -8.534 8.675 -3.020 59 HG2 MET 9 HG3 MET 9 -11.439 9.538 -3.093 60 HG3 MET 9 HG2 MET 9 -10.575 8.597 -4.308 61 HE1 MET 9 HE1 MET 9 -8.806 6.721 -1.968 62 HE2 MET 9 HE2 MET 9 -9.208 6.586 -3.679 63 HE3 MET 9 HE3 MET 9 -9.717 5.325 -2.558 64 H GLU 10 H GLU 10 -8.642 11.082 0.610 65 HA GLU 10 HA GLU 10 -5.772 10.909 0.044 66 HB2 GLU 10 HB3 GLU 10 -6.899 13.028 0.779 67 HB3 GLU 10 HB2 GLU 10 -7.185 12.280 2.350 68 HG2 GLU 10 HG3 GLU 10 -4.727 11.929 2.595 69 HG3 GLU 10 HG2 GLU 10 -4.481 12.782 1.069 70 H HIS 11 H HIS 11 -8.014 9.206 1.987 71 HA HIS 11 HA HIS 11 -5.862 8.279 3.821 72 HB2 HIS 11 HB3 HIS 11 -8.865 7.856 3.940 73 HB3 HIS 11 HB2 HIS 11 -7.705 7.306 5.147 74 HD1 HIS 11 HD1 HIS 11 -9.484 10.345 3.924 75 HD2 HIS 11 HD2 HIS 11 -6.513 9.423 6.703 76 HE1 HIS 11 HE1 HIS 11 -9.192 12.406 5.370 77 HE2 HIS 11 HE2 HIS 11 -7.386 11.854 7.066 78 H CYS 12 H CYS 12 -4.915 6.383 3.349 79 HA CYS 12 HA CYS 12 -6.386 4.464 1.589 80 HB2 CYS 12 HB3 CYS 12 -3.415 4.403 2.123 81 HB3 CYS 12 HB2 CYS 12 -4.302 3.684 0.782 82 H ALA 13 H ALA 13 -6.145 2.165 2.193 83 HA ALA 13 HA ALA 13 -5.335 1.771 5.034 84 HB1 ALA 13 HB1 ALA 13 -7.815 0.465 3.941 85 HB2 ALA 13 HB2 ALA 13 -7.885 2.091 4.616 86 HB3 ALA 13 HB3 ALA 13 -7.359 0.742 5.624 87 H ASP 14 H ASP 14 -4.654 -0.382 5.523 88 HA ASP 14 HA ASP 14 -3.399 -1.756 3.325 89 HB2 ASP 14 HB3 ASP 14 -3.883 -2.568 6.202 90 HB3 ASP 14 HB2 ASP 14 -2.921 -3.515 5.068 91 H GLU 15 H GLU 15 -4.169 -3.400 2.085 92 HA GLU 15 HA GLU 15 -6.942 -4.027 2.012 93 HB2 GLU 15 HB3 GLU 15 -4.478 -5.018 0.720 94 HB3 GLU 15 HB2 GLU 15 -5.775 -6.205 0.831 95 HG2 GLU 15 HG3 GLU 15 -5.788 -4.738 -1.259 96 HG3 GLU 15 HG2 GLU 15 -7.298 -4.803 -0.354 97 H LYS 16 H LYS 16 -8.131 -5.668 2.954 98 HA LYS 16 HA LYS 16 -6.869 -7.015 5.245 99 HB2 LYS 16 HB3 LYS 16 -9.115 -7.665 5.858 100 HB3 LYS 16 HB2 LYS 16 -9.155 -5.973 5.363 101 HG2 LYS 16 HG3 LYS 16 -9.870 -6.694 3.085 102 HG3 LYS 16 HG2 LYS 16 -9.929 -8.361 3.662 103 HD2 LYS 16 HD3 LYS 16 -11.523 -7.555 5.471 104 HD3 LYS 16 HD2 LYS 16 -11.609 -6.025 4.599 105 HE2 LYS 16 HE3 LYS 16 -12.958 -8.522 4.026 106 HE3 LYS 16 HE2 LYS 16 -13.205 -6.933 3.295 107 HZ1 LYS 16 HZ1 LYS 16 -11.206 -7.375 1.926 108 HZ2 LYS 16 HZ2 LYS 16 -12.498 -8.431 1.606 109 HZ3 LYS 16 HZ3 LYS 16 -11.176 -8.960 2.534 110 H ASN 17 H ASN 17 -7.720 -7.738 1.974 111 HA ASN 17 HA ASN 17 -7.726 -10.654 2.429 112 HB2 ASN 17 HB3 ASN 17 -7.819 -9.077 -0.163 113 HB3 ASN 17 HB2 ASN 17 -8.143 -10.802 0.018 114 HD21 ASN 17 HD21 ASN 17 -9.682 -7.813 -0.159 115 HD22 ASN 17 HD22 ASN 17 -11.142 -8.225 0.603 116 H PHE 18 H PHE 18 -5.407 -8.269 2.102 117 HA PHE 18 HA PHE 18 -3.466 -10.193 0.882 118 HB2 PHE 18 HB3 PHE 18 -3.878 -7.981 -0.318 119 HB3 PHE 18 HB2 PHE 18 -3.132 -7.191 1.073 120 HD1 PHE 18 HD2 PHE 18 -2.574 -9.531 -1.738 121 HD2 PHE 18 HD1 PHE 18 -0.754 -7.361 1.491 122 HE1 PHE 18 HE2 PHE 18 -0.330 -10.047 -2.656 123 HE2 PHE 18 HE1 PHE 18 1.486 -7.874 0.572 124 HZ PHE 18 HZ PHE 18 1.703 -9.220 -1.501 125 H ASP 19 H ASP 19 -1.728 -10.800 2.130 126 HA ASP 19 HA ASP 19 -1.688 -9.951 4.930 127 HB2 ASP 19 HB3 ASP 19 0.235 -11.732 3.396 128 HB3 ASP 19 HB2 ASP 19 0.163 -11.550 5.150 129 H CYS 20 H CYS 20 -1.196 -7.687 4.649 130 HA CYS 20 HA CYS 20 1.131 -6.751 3.237 131 HB2 CYS 20 HB3 CYS 20 -0.296 -5.419 5.557 132 HB3 CYS 20 HB2 CYS 20 0.678 -4.634 4.315 133 H ARG 21 H ARG 21 0.526 -7.771 6.552 134 HA ARG 21 HA ARG 21 2.982 -6.871 7.700 135 HB2 ARG 21 HB3 ARG 21 0.801 -7.863 8.779 136 HB3 ARG 21 HB2 ARG 21 1.621 -9.405 8.571 137 HG2 ARG 21 HG3 ARG 21 2.780 -7.008 10.022 138 HG3 ARG 21 HG2 ARG 21 2.056 -8.409 10.809 139 HD2 ARG 21 HD3 ARG 21 3.763 -9.835 9.568 140 HD3 ARG 21 HD2 ARG 21 4.560 -8.331 9.116 141 HE ARG 21 HE ARG 21 5.446 -8.251 11.281 142 HH11 ARG 21 HH21 ARG 21 2.548 -10.123 11.184 143 HH12 ARG 21 HH22 ARG 21 2.620 -10.555 12.860 144 HH21 ARG 21 HH11 ARG 21 5.552 -8.807 13.459 145 HH22 ARG 21 HH12 ARG 21 4.320 -9.811 14.149 146 H ARG 22 H ARG 22 2.066 -10.046 6.321 147 HA ARG 22 HA ARG 22 4.669 -11.210 6.648 148 HB2 ARG 22 HB3 ARG 22 3.135 -12.872 6.243 149 HB3 ARG 22 HB2 ARG 22 2.196 -11.873 5.136 150 HG2 ARG 22 HG3 ARG 22 3.780 -12.179 3.367 151 HG3 ARG 22 HG2 ARG 22 4.945 -12.925 4.461 152 HD2 ARG 22 HD3 ARG 22 3.445 -14.830 4.795 153 HD3 ARG 22 HD2 ARG 22 2.223 -14.068 3.777 154 HE ARG 22 HE ARG 22 4.673 -15.388 2.836 155 HH11 ARG 22 HH21 ARG 22 2.077 -13.199 2.243 156 HH12 ARG 22 HH22 ARG 22 2.175 -13.339 0.519 157 HH21 ARG 22 HH11 ARG 22 4.825 -15.579 0.589 158 HH22 ARG 22 HH12 ARG 22 3.733 -14.686 -0.419 159 H SER 23 H SER 23 3.073 -9.618 3.904 160 HA SER 23 HA SER 23 5.262 -9.897 2.084 161 HB2 SER 23 HB3 SER 23 3.116 -7.757 2.194 162 HB3 SER 23 HB2 SER 23 4.137 -8.115 0.805 163 HG SER 23 HG SER 23 2.275 -9.844 2.080 164 H LEU 24 H LEU 24 4.470 -7.461 4.533 165 HA LEU 24 HA LEU 24 6.454 -5.538 3.777 166 HB2 LEU 24 HB3 LEU 24 4.627 -5.012 5.347 167 HB3 LEU 24 HB2 LEU 24 5.310 -6.135 6.522 168 HG LEU 24 HG LEU 24 7.458 -4.767 6.401 169 HD11 LEU 24 HD11 LEU 24 5.602 -3.096 4.733 170 HD12 LEU 24 HD12 LEU 24 7.293 -3.495 4.448 171 HD13 LEU 24 HD13 LEU 24 6.864 -2.319 5.688 172 HD21 LEU 24 HD21 LEU 24 6.241 -4.435 8.365 173 HD22 LEU 24 HD22 LEU 24 4.848 -3.773 7.508 174 HD23 LEU 24 HD23 LEU 24 6.306 -2.802 7.703 175 H ARG 25 H ARG 25 6.569 -8.181 6.196 176 HA ARG 25 HA ARG 25 9.303 -7.677 6.934 177 HB2 ARG 25 HB3 ARG 25 9.238 -9.965 7.897 178 HB3 ARG 25 HB2 ARG 25 7.819 -9.025 8.359 179 HG2 ARG 25 HG3 ARG 25 6.491 -10.090 6.630 180 HG3 ARG 25 HG2 ARG 25 7.901 -10.965 6.033 181 HD2 ARG 25 HD3 ARG 25 6.712 -12.510 7.416 182 HD3 ARG 25 HD2 ARG 25 8.094 -11.973 8.369 183 HE ARG 25 HE ARG 25 6.108 -10.208 9.100 184 HH11 ARG 25 HH21 ARG 25 6.394 -13.635 8.863 185 HH12 ARG 25 HH22 ARG 25 5.293 -13.950 10.162 186 HH21 ARG 25 HH11 ARG 25 4.677 -10.600 10.800 187 HH22 ARG 25 HH12 ARG 25 4.320 -12.231 11.259 188 H ASN 26 H ASN 26 7.795 -9.293 4.274 189 HA ASN 26 HA ASN 26 10.142 -10.831 3.488 190 HB2 ASN 26 HB3 ASN 26 7.622 -10.058 1.992 191 HB3 ASN 26 HB2 ASN 26 8.838 -11.181 1.383 192 HD21 ASN 26 HD21 ASN 26 6.039 -11.870 1.999 193 HD22 ASN 26 HD22 ASN 26 6.087 -13.035 3.234 194 H GLY 27 H GLY 27 9.434 -7.575 3.453 195 HA2 GLY 27 HA3 GLY 27 10.767 -5.829 2.553 196 HA3 GLY 27 HA2 GLY 27 11.646 -7.031 1.604 197 H ASP 28 H ASP 28 8.198 -7.148 1.480 198 HA ASP 28 HA ASP 28 8.060 -6.905 -1.336 199 HB2 ASP 28 HB3 ASP 28 6.274 -7.819 0.210 200 HB3 ASP 28 HB2 ASP 28 5.851 -6.151 0.596 201 H CYS 29 H CYS 29 7.710 -4.425 1.194 202 HA CYS 29 HA CYS 29 6.986 -2.284 -0.589 203 HB2 CYS 29 HB3 CYS 29 8.525 -2.027 2.009 204 HB3 CYS 29 HB2 CYS 29 7.503 -0.809 1.248 205 H ASP 30 H ASP 30 9.955 -3.899 0.110 206 HA ASP 30 HA ASP 30 11.586 -1.701 -1.022 207 HB2 ASP 30 HB3 ASP 30 12.385 -2.923 0.991 208 HB3 ASP 30 HB2 ASP 30 12.427 -4.412 0.045 209 H ASN 31 H ASN 31 9.785 -4.203 -2.249 210 HA ASN 31 HA ASN 31 11.752 -4.873 -4.372 211 HB2 ASN 31 HB3 ASN 31 10.399 -6.665 -3.185 212 HB3 ASN 31 HB2 ASN 31 8.975 -6.003 -3.983 213 HD21 ASN 31 HD21 ASN 31 9.495 -8.572 -4.684 214 HD22 ASN 31 HD22 ASN 31 10.202 -8.670 -6.224 215 H ASP 32 H ASP 32 11.728 -3.489 -6.066 216 HA ASP 32 HA ASP 32 9.704 -1.605 -6.651 217 HB2 ASP 32 HB3 ASP 32 11.711 -2.919 -8.508 218 HB3 ASP 32 HB2 ASP 32 10.754 -1.496 -8.920 219 H ASP 33 H ASP 33 10.103 -4.951 -7.651 220 HA ASP 33 HA ASP 33 8.048 -4.976 -9.653 221 HB2 ASP 33 HB3 ASP 33 9.798 -6.745 -9.389 222 HB3 ASP 33 HB2 ASP 33 8.989 -7.277 -7.915 223 H LYS 34 H LYS 34 7.941 -5.032 -6.171 224 HA LYS 34 HA LYS 34 5.035 -5.727 -6.319 225 HB2 LYS 34 HB3 LYS 34 6.771 -5.783 -3.845 226 HB3 LYS 34 HB2 LYS 34 5.175 -6.502 -4.066 227 HG2 LYS 34 HG3 LYS 34 6.222 -7.918 -5.917 228 HG3 LYS 34 HG2 LYS 34 7.785 -7.370 -5.314 229 HD2 LYS 34 HD3 LYS 34 7.139 -8.212 -3.041 230 HD3 LYS 34 HD2 LYS 34 5.679 -8.892 -3.756 231 HE2 LYS 34 HE3 LYS 34 8.119 -9.607 -5.219 232 HE3 LYS 34 HE2 LYS 34 8.105 -10.198 -3.557 233 HZ1 LYS 34 HZ1 LYS 34 5.571 -10.652 -4.512 234 HZ2 LYS 34 HZ2 LYS 34 6.791 -11.813 -4.269 235 HZ3 LYS 34 HZ3 LYS 34 6.593 -11.087 -5.793 236 H LEU 35 H LEU 35 7.027 -3.096 -6.128 237 HA LEU 35 HA LEU 35 5.972 -1.571 -3.985 238 HB2 LEU 35 HB3 LEU 35 7.226 -0.888 -6.623 239 HB3 LEU 35 HB2 LEU 35 6.483 0.401 -5.676 240 HG LEU 35 HG LEU 35 8.629 -1.501 -4.678 241 HD11 LEU 35 HD11 LEU 35 10.187 0.160 -5.065 242 HD12 LEU 35 HD12 LEU 35 9.001 1.454 -4.889 243 HD13 LEU 35 HD13 LEU 35 9.070 0.521 -6.384 244 HD21 LEU 35 HD21 LEU 35 7.681 -0.927 -2.683 245 HD22 LEU 35 HD22 LEU 35 6.825 0.449 -3.377 246 HD23 LEU 35 HD23 LEU 35 8.525 0.600 -2.934 247 H LEU 36 H LEU 36 4.805 -1.924 -7.336 248 HA LEU 36 HA LEU 36 2.579 -0.129 -7.030 249 HB2 LEU 36 HB3 LEU 36 3.468 -0.965 -9.229 250 HB3 LEU 36 HB2 LEU 36 2.778 -2.543 -8.857 251 HG LEU 36 HG LEU 36 0.918 -0.251 -8.570 252 HD11 LEU 36 HD11 LEU 36 0.526 -0.240 -11.068 253 HD12 LEU 36 HD12 LEU 36 2.040 -1.126 -11.247 254 HD13 LEU 36 HD13 LEU 36 2.045 0.502 -10.569 255 HD21 LEU 36 HD21 LEU 36 -0.658 -1.845 -9.150 256 HD22 LEU 36 HD22 LEU 36 0.601 -2.907 -8.523 257 HD23 LEU 36 HD23 LEU 36 0.434 -2.670 -10.263 258 H GLU 37 H GLU 37 3.010 -3.603 -6.476 259 HA GLU 37 HA GLU 37 0.290 -4.261 -5.945 260 HB2 GLU 37 HB3 GLU 37 2.820 -5.410 -4.723 261 HB3 GLU 37 HB2 GLU 37 1.227 -6.159 -4.644 262 HG2 GLU 37 HG3 GLU 37 1.174 -6.244 -7.132 263 HG3 GLU 37 HG2 GLU 37 2.812 -5.581 -7.163 264 H MET 38 H MET 38 2.872 -3.034 -3.846 265 HA MET 38 HA MET 38 1.294 -3.108 -1.431 266 HB2 MET 38 HB3 MET 38 3.779 -1.578 -2.210 267 HB3 MET 38 HB2 MET 38 3.094 -1.566 -0.586 268 HG2 MET 38 HG3 MET 38 3.923 -4.062 -2.085 269 HG3 MET 38 HG2 MET 38 4.909 -3.268 -0.861 270 HE1 MET 38 HE1 MET 38 2.025 -5.159 -1.929 271 HE2 MET 38 HE2 MET 38 1.271 -5.884 -0.514 272 HE3 MET 38 HE3 MET 38 2.859 -6.441 -1.038 273 H GLY 39 H GLY 39 2.124 -0.474 -3.706 274 HA2 GLY 39 HA3 GLY 39 0.749 1.603 -2.350 275 HA3 GLY 39 HA2 GLY 39 1.007 1.560 -4.095 276 H TYR 40 H TYR 40 -0.382 -1.066 -4.264 277 HA TYR 40 HA TYR 40 -3.137 0.014 -4.357 278 HB2 TYR 40 HB3 TYR 40 -2.338 -1.025 -6.394 279 HB3 TYR 40 HB2 TYR 40 -1.861 -2.478 -5.515 280 HD1 TYR 40 HD1 TYR 40 -3.597 -3.933 -4.471 281 HD2 TYR 40 HD2 TYR 40 -4.615 -0.662 -7.057 282 HE1 TYR 40 HE1 TYR 40 -5.865 -4.882 -4.769 283 HE2 TYR 40 HE2 TYR 40 -6.890 -1.610 -7.356 284 HH TYR 40 HH TYR 40 -7.696 -4.713 -6.627 285 H TYR 41 H TYR 41 -1.504 -2.982 -3.264 286 HA TYR 41 HA TYR 41 -3.852 -3.823 -1.764 287 HB2 TYR 41 HB3 TYR 41 -1.041 -4.908 -1.975 288 HB3 TYR 41 HB2 TYR 41 -2.276 -5.641 -0.955 289 HD1 TYR 41 HD1 TYR 41 -4.487 -6.335 -2.040 290 HD2 TYR 41 HD2 TYR 41 -0.968 -5.368 -4.305 291 HE1 TYR 41 HE1 TYR 41 -5.430 -7.512 -4.008 292 HE2 TYR 41 HE2 TYR 41 -1.910 -6.543 -6.271 293 HH TYR 41 HH TYR 41 -4.004 -8.684 -6.299 294 H CYS 42 H CYS 42 -0.599 -2.620 -0.834 295 HA CYS 42 HA CYS 42 -1.816 -1.925 1.797 296 HB2 CYS 42 HB3 CYS 42 0.968 -3.052 1.615 297 HB3 CYS 42 HB2 CYS 42 -0.076 -2.904 3.029 298 HA PRO 43 HA PRO 43 0.698 1.558 -0.098 299 HB2 PRO 43 HB3 PRO 43 -1.229 3.466 0.348 300 HB3 PRO 43 HB2 PRO 43 -1.131 2.507 -1.140 301 HG2 PRO 43 HG3 PRO 43 -2.860 2.096 1.260 302 HG3 PRO 43 HG2 PRO 43 -3.284 1.991 -0.460 303 HD2 PRO 43 HD3 PRO 43 -2.828 -0.226 0.997 304 HD3 PRO 43 HD2 PRO 43 -2.319 -0.126 -0.706 305 H VAL 44 H VAL 44 -1.271 1.259 2.821 306 HA VAL 44 HA VAL 44 0.172 3.363 4.245 307 HB VAL 44 HB VAL 44 -1.761 1.247 5.234 308 HG11 VAL 44 HG11 VAL 44 -0.295 2.087 7.030 309 HG12 VAL 44 HG12 VAL 44 -1.944 2.679 7.236 310 HG13 VAL 44 HG13 VAL 44 -0.699 3.745 6.584 311 HG21 VAL 44 HG21 VAL 44 -3.218 2.566 4.087 312 HG22 VAL 44 HG22 VAL 44 -2.049 3.878 3.936 313 HG23 VAL 44 HG23 VAL 44 -2.987 3.700 5.417 314 H THR 45 H THR 45 0.098 -0.214 4.375 315 HA THR 45 HA THR 45 1.949 -0.574 6.483 316 HB THR 45 HB THR 45 1.706 -2.307 4.012 317 HG1 THR 45 HG1 THR 45 0.365 -3.272 6.052 318 HG21 THR 45 HG21 THR 45 3.633 -2.708 5.601 319 HG22 THR 45 HG22 THR 45 2.543 -4.078 5.399 320 HG23 THR 45 HG23 THR 45 2.438 -3.072 6.844 321 H CYS 46 H CYS 46 2.554 -0.023 3.024 322 HA CYS 46 HA CYS 46 5.448 -0.304 3.426 323 HB2 CYS 46 HB3 CYS 46 3.751 0.376 1.021 324 HB3 CYS 46 HB2 CYS 46 5.514 0.347 0.972 325 H GLY 47 H GLY 47 3.224 2.193 3.870 326 HA2 GLY 47 HA3 GLY 47 3.745 4.377 4.634 327 HA3 GLY 47 HA2 GLY 47 5.428 4.095 4.202 328 H PHE 48 H PHE 48 2.682 3.719 1.983 329 HA PHE 48 HA PHE 48 3.878 5.909 0.339 330 HB2 PHE 48 HB3 PHE 48 1.898 3.751 -0.456 331 HB3 PHE 48 HB2 PHE 48 2.657 4.916 -1.544 332 HD1 PHE 48 HD1 PHE 48 5.410 4.870 -0.109 333 HD2 PHE 48 HD2 PHE 48 2.800 1.766 -1.511 334 HE1 PHE 48 HE1 PHE 48 7.350 3.356 -0.355 335 HE2 PHE 48 HE2 PHE 48 4.742 0.253 -1.762 336 HZ PHE 48 HZ PHE 48 7.017 1.043 -1.183 337 H CYS 49 H CYS 49 1.378 5.144 2.418 338 HA CYS 49 HA CYS 49 -0.128 7.563 1.544 339 HB2 CYS 49 HB3 CYS 49 -1.130 4.805 2.072 340 HB3 CYS 49 HB2 CYS 49 -2.115 6.144 2.656 341 H GLU 50 H GLU 50 -1.451 8.443 3.426 342 HA GLU 50 HA GLU 50 0.156 8.150 5.911 343 HB2 GLU 50 HB3 GLU 50 -1.537 10.324 4.742 344 HB3 GLU 50 HB2 GLU 50 -1.366 10.245 6.495 345 HG2 GLU 50 HG3 GLU 50 1.006 10.177 4.623 346 HG3 GLU 50 HG2 GLU 50 0.365 11.677 5.294 347 HA PRO 51 HA PRO 51 -3.367 5.837 7.439 348 HB2 PRO 51 HB3 PRO 51 -2.423 5.469 9.996 349 HB3 PRO 51 HB2 PRO 51 -1.926 4.487 8.607 350 HG2 PRO 51 HG3 PRO 51 -0.491 6.669 9.988 351 HG3 PRO 51 HG2 PRO 51 0.142 5.237 9.164 352 HD2 PRO 51 HD3 PRO 51 0.140 7.806 8.102 353 HD3 PRO 51 HD2 PRO 51 0.276 6.313 7.148 Start of MODEL 17 1 HA ASN 1 HA ASN 1 -27.539 13.907 -6.113 2 HB2 ASN 1 HB3 ASN 1 -25.271 11.889 -6.070 3 HB3 ASN 1 HB2 ASN 1 -26.989 11.511 -5.962 4 HD21 ASN 1 HD21 ASN 1 -28.008 13.305 -7.926 5 HD22 ASN 1 HD22 ASN 1 -27.413 12.843 -9.446 6 H ASP 2 H ASP 2 -25.836 11.711 -4.278 7 HA ASP 2 HA ASP 2 -26.806 12.760 -1.791 8 HB2 ASP 2 HB3 ASP 2 -24.665 10.683 -2.353 9 HB3 ASP 2 HB2 ASP 2 -25.368 10.993 -0.764 10 H ILE 3 H ILE 3 -25.746 13.960 -0.210 11 HA ILE 3 HA ILE 3 -23.501 15.584 -1.085 12 HB ILE 3 HB ILE 3 -24.790 15.324 1.650 13 HG12 ILE 3 HG13 ILE 3 -25.231 17.373 -0.544 14 HG13 ILE 3 HG12 ILE 3 -26.316 16.020 -0.220 15 HG21 ILE 3 HG21 ILE 3 -22.909 16.508 2.206 16 HG22 ILE 3 HG22 ILE 3 -23.802 17.853 1.493 17 HG23 ILE 3 HG23 ILE 3 -22.599 16.990 0.538 18 HD11 ILE 3 HD11 ILE 3 -26.178 17.012 2.264 19 HD12 ILE 3 HD12 ILE 3 -27.344 17.615 1.086 20 HD13 ILE 3 HD13 ILE 3 -25.845 18.497 1.372 21 H ARG 4 H ARG 4 -23.651 12.463 0.049 22 HA ARG 4 HA ARG 4 -21.343 12.500 1.831 23 HB2 ARG 4 HB3 ARG 4 -22.719 10.216 0.381 24 HB3 ARG 4 HB2 ARG 4 -21.477 10.022 1.621 25 HG2 ARG 4 HG3 ARG 4 -22.933 11.315 3.202 26 HG3 ARG 4 HG2 ARG 4 -24.195 11.318 1.970 27 HD2 ARG 4 HD3 ARG 4 -22.944 8.848 3.203 28 HD3 ARG 4 HD2 ARG 4 -24.548 9.481 3.573 29 HE ARG 4 HE ARG 4 -23.792 8.009 1.151 30 HH11 ARG 4 HH21 ARG 4 -25.962 10.180 2.722 31 HH12 ARG 4 HH22 ARG 4 -27.291 9.825 1.670 32 HH21 ARG 4 HH11 ARG 4 -25.516 7.532 -0.233 33 HH22 ARG 4 HH12 ARG 4 -27.038 8.325 -0.004 34 H THR 5 H THR 5 -21.601 13.044 -1.400 35 HA THR 5 HA THR 5 -19.390 11.441 -2.387 36 HB THR 5 HB THR 5 -21.352 12.589 -3.694 37 HG1 THR 5 HG1 THR 5 -19.771 11.454 -4.755 38 HG21 THR 5 HG21 THR 5 -21.109 14.804 -4.317 39 HG22 THR 5 HG22 THR 5 -19.361 14.785 -4.091 40 HG23 THR 5 HG23 THR 5 -20.431 14.864 -2.690 41 H ALA 6 H ALA 6 -19.410 13.781 -0.158 42 HA ALA 6 HA ALA 6 -17.310 15.549 -1.076 43 HB1 ALA 6 HB1 ALA 6 -17.786 15.089 1.839 44 HB2 ALA 6 HB2 ALA 6 -19.098 15.784 0.884 45 HB3 ALA 6 HB3 ALA 6 -17.538 16.602 0.969 46 H ALA 7 H ALA 7 -17.194 12.314 -0.303 47 HA ALA 7 HA ALA 7 -14.929 12.086 1.391 48 HB1 ALA 7 HB1 ALA 7 -16.379 10.352 -0.468 49 HB2 ALA 7 HB2 ALA 7 -15.599 9.951 1.063 50 HB3 ALA 7 HB3 ALA 7 -14.651 9.997 -0.424 51 H ASP 8 H ASP 8 -12.730 12.262 1.015 52 HA ASP 8 HA ASP 8 -11.936 13.160 -1.726 53 HB2 ASP 8 HB3 ASP 8 -11.632 14.838 0.104 54 HB3 ASP 8 HB2 ASP 8 -10.540 13.712 0.911 55 H MET 9 H MET 9 -11.974 10.437 -0.023 56 HA MET 9 HA MET 9 -10.583 8.546 0.126 57 HB2 MET 9 HB3 MET 9 -10.091 9.736 -2.584 58 HB3 MET 9 HB2 MET 9 -9.121 8.357 -2.067 59 HG2 MET 9 HG3 MET 9 -11.988 8.033 -1.515 60 HG3 MET 9 HG2 MET 9 -11.616 8.187 -3.232 61 HE1 MET 9 HE1 MET 9 -10.188 5.016 -0.261 62 HE2 MET 9 HE2 MET 9 -11.197 6.430 0.030 63 HE3 MET 9 HE3 MET 9 -9.464 6.630 -0.222 64 H GLU 10 H GLU 10 -9.505 11.264 1.064 65 HA GLU 10 HA GLU 10 -6.652 11.210 0.581 66 HB2 GLU 10 HB3 GLU 10 -7.986 13.225 1.349 67 HB3 GLU 10 HB2 GLU 10 -8.093 12.461 2.936 68 HG2 GLU 10 HG3 GLU 10 -5.633 12.390 3.075 69 HG3 GLU 10 HG2 GLU 10 -5.519 13.156 1.489 70 H HIS 11 H HIS 11 -8.628 9.133 2.285 71 HA HIS 11 HA HIS 11 -6.514 8.515 4.289 72 HB2 HIS 11 HB3 HIS 11 -9.415 7.646 4.136 73 HB3 HIS 11 HB2 HIS 11 -8.288 7.203 5.418 74 HD1 HIS 11 HD1 HIS 11 -10.264 10.105 4.076 75 HD2 HIS 11 HD2 HIS 11 -7.659 9.309 7.234 76 HE1 HIS 11 HE1 HIS 11 -10.439 12.072 5.663 77 HE2 HIS 11 HE2 HIS 11 -8.858 11.597 7.590 78 H CYS 12 H CYS 12 -5.230 6.816 3.842 79 HA CYS 12 HA CYS 12 -6.172 4.799 1.847 80 HB2 CYS 12 HB3 CYS 12 -3.378 5.472 2.811 81 HB3 CYS 12 HB2 CYS 12 -3.761 4.233 1.618 82 H ALA 13 H ALA 13 -6.031 2.569 2.391 83 HA ALA 13 HA ALA 13 -5.255 1.954 5.202 84 HB1 ALA 13 HB1 ALA 13 -7.733 0.785 3.945 85 HB2 ALA 13 HB2 ALA 13 -7.785 2.290 4.863 86 HB3 ALA 13 HB3 ALA 13 -7.269 0.796 5.646 87 H ASP 14 H ASP 14 -4.539 -0.208 5.523 88 HA ASP 14 HA ASP 14 -3.343 -1.453 3.202 89 HB2 ASP 14 HB3 ASP 14 -3.690 -2.425 6.055 90 HB3 ASP 14 HB2 ASP 14 -2.745 -3.272 4.827 91 H GLU 15 H GLU 15 -4.060 -3.260 2.061 92 HA GLU 15 HA GLU 15 -6.858 -3.785 1.955 93 HB2 GLU 15 HB3 GLU 15 -4.413 -4.888 0.737 94 HB3 GLU 15 HB2 GLU 15 -5.727 -6.051 0.891 95 HG2 GLU 15 HG3 GLU 15 -5.696 -4.658 -1.261 96 HG3 GLU 15 HG2 GLU 15 -7.218 -4.692 -0.377 97 H LYS 16 H LYS 16 -8.126 -5.348 2.925 98 HA LYS 16 HA LYS 16 -7.027 -6.607 5.332 99 HB2 LYS 16 HB3 LYS 16 -9.313 -7.226 5.812 100 HB3 LYS 16 HB2 LYS 16 -9.313 -5.564 5.221 101 HG2 LYS 16 HG3 LYS 16 -9.831 -6.443 2.926 102 HG3 LYS 16 HG2 LYS 16 -9.994 -8.052 3.632 103 HD2 LYS 16 HD3 LYS 16 -11.709 -7.067 5.218 104 HD3 LYS 16 HD2 LYS 16 -11.661 -5.604 4.234 105 HE2 LYS 16 HE3 LYS 16 -12.294 -8.372 3.171 106 HE3 LYS 16 HE2 LYS 16 -13.500 -7.143 3.554 107 HZ1 LYS 16 HZ1 LYS 16 -11.877 -7.394 1.238 108 HZ2 LYS 16 HZ2 LYS 16 -11.627 -5.883 1.977 109 HZ3 LYS 16 HZ3 LYS 16 -13.193 -6.360 1.517 110 H ASN 17 H ASN 17 -7.842 -7.567 2.067 111 HA ASN 17 HA ASN 17 -7.749 -10.440 2.741 112 HB2 ASN 17 HB3 ASN 17 -7.978 -9.045 0.058 113 HB3 ASN 17 HB2 ASN 17 -8.194 -10.772 0.343 114 HD21 ASN 17 HD21 ASN 17 -9.971 -8.016 -0.103 115 HD22 ASN 17 HD22 ASN 17 -11.358 -8.418 0.793 116 H PHE 18 H PHE 18 -5.481 -8.061 2.203 117 HA PHE 18 HA PHE 18 -3.554 -9.985 0.961 118 HB2 PHE 18 HB3 PHE 18 -4.006 -7.750 -0.179 119 HB3 PHE 18 HB2 PHE 18 -3.235 -6.985 1.209 120 HD1 PHE 18 HD1 PHE 18 -0.843 -7.321 1.670 121 HD2 PHE 18 HD2 PHE 18 -2.725 -9.054 -1.781 122 HE1 PHE 18 HE1 PHE 18 1.383 -7.753 0.672 123 HE2 PHE 18 HE2 PHE 18 -0.496 -9.493 -2.777 124 HZ PHE 18 HZ PHE 18 1.560 -8.842 -1.549 125 H ASP 19 H ASP 19 -1.806 -10.631 2.184 126 HA ASP 19 HA ASP 19 -1.721 -9.799 4.993 127 HB2 ASP 19 HB3 ASP 19 0.111 -11.657 3.440 128 HB3 ASP 19 HB2 ASP 19 0.081 -11.461 5.194 129 H CYS 20 H CYS 20 -1.138 -7.559 4.740 130 HA CYS 20 HA CYS 20 1.208 -6.707 3.303 131 HB2 CYS 20 HB3 CYS 20 -0.109 -5.339 5.664 132 HB3 CYS 20 HB2 CYS 20 0.860 -4.585 4.397 133 H ARG 21 H ARG 21 0.607 -7.724 6.621 134 HA ARG 21 HA ARG 21 3.091 -6.950 7.776 135 HB2 ARG 21 HB3 ARG 21 0.914 -7.936 8.840 136 HB3 ARG 21 HB2 ARG 21 1.664 -9.497 8.514 137 HG2 ARG 21 HG3 ARG 21 2.908 -7.252 10.136 138 HG3 ARG 21 HG2 ARG 21 2.180 -8.714 10.802 139 HD2 ARG 21 HD3 ARG 21 3.862 -10.006 9.336 140 HD3 ARG 21 HD2 ARG 21 4.697 -8.462 9.160 141 HE ARG 21 HE ARG 21 4.574 -10.075 11.602 142 HH11 ARG 21 HH21 ARG 21 5.076 -6.999 10.128 143 HH12 ARG 21 HH22 ARG 21 6.022 -6.376 11.437 144 HH21 ARG 21 HH11 ARG 21 5.806 -9.278 13.323 145 HH22 ARG 21 HH12 ARG 21 6.436 -7.666 13.244 146 H ARG 22 H ARG 22 2.100 -9.995 6.202 147 HA ARG 22 HA ARG 22 4.685 -11.243 6.470 148 HB2 ARG 22 HB3 ARG 22 3.095 -12.852 6.045 149 HB3 ARG 22 HB2 ARG 22 2.166 -11.797 4.981 150 HG2 ARG 22 HG3 ARG 22 3.680 -12.115 3.172 151 HG3 ARG 22 HG2 ARG 22 4.884 -12.859 4.221 152 HD2 ARG 22 HD3 ARG 22 3.393 -14.773 4.601 153 HD3 ARG 22 HD2 ARG 22 2.156 -14.021 3.592 154 HE ARG 22 HE ARG 22 3.345 -14.783 1.708 155 HH11 ARG 22 HH21 ARG 22 5.342 -14.608 4.510 156 HH12 ARG 22 HH22 ARG 22 6.725 -15.307 3.732 157 HH21 ARG 22 HH11 ARG 22 5.140 -15.689 0.672 158 HH22 ARG 22 HH12 ARG 22 6.610 -15.919 1.560 159 H SER 23 H SER 23 3.080 -9.512 3.809 160 HA SER 23 HA SER 23 5.245 -9.778 1.956 161 HB2 SER 23 HB3 SER 23 3.040 -7.720 2.193 162 HB3 SER 23 HB2 SER 23 4.152 -7.799 0.833 163 HG SER 23 HG SER 23 1.988 -9.344 1.426 164 H LEU 24 H LEU 24 4.529 -7.406 4.493 165 HA LEU 24 HA LEU 24 6.548 -5.513 3.748 166 HB2 LEU 24 HB3 LEU 24 4.754 -4.956 5.334 167 HB3 LEU 24 HB2 LEU 24 5.402 -6.117 6.490 168 HG LEU 24 HG LEU 24 7.585 -4.819 6.411 169 HD11 LEU 24 HD11 LEU 24 7.484 -3.552 4.440 170 HD12 LEU 24 HD12 LEU 24 7.133 -2.356 5.689 171 HD13 LEU 24 HD13 LEU 24 5.819 -3.051 4.739 172 HD21 LEU 24 HD21 LEU 24 6.424 -2.767 7.643 173 HD22 LEU 24 HD22 LEU 24 6.421 -4.377 8.364 174 HD23 LEU 24 HD23 LEU 24 4.994 -3.792 7.504 175 H ARG 25 H ARG 25 6.635 -8.169 6.163 176 HA ARG 25 HA ARG 25 9.393 -7.723 6.831 177 HB2 ARG 25 HB3 ARG 25 9.300 -9.925 7.898 178 HB3 ARG 25 HB2 ARG 25 7.834 -9.020 8.269 179 HG2 ARG 25 HG3 ARG 25 6.703 -10.185 6.366 180 HG3 ARG 25 HG2 ARG 25 8.144 -11.181 6.168 181 HD2 ARG 25 HD3 ARG 25 7.896 -11.891 8.565 182 HD3 ARG 25 HD2 ARG 25 6.366 -11.015 8.617 183 HE ARG 25 HE ARG 25 5.395 -12.832 7.489 184 HH11 ARG 25 HH21 ARG 25 8.789 -12.650 6.903 185 HH12 ARG 25 HH22 ARG 25 8.855 -14.150 6.041 186 HH21 ARG 25 HH11 ARG 25 5.465 -14.794 6.370 187 HH22 ARG 25 HH12 ARG 25 6.974 -15.366 5.743 188 H ASN 26 H ASN 26 7.808 -9.321 4.198 189 HA ASN 26 HA ASN 26 10.116 -10.917 3.393 190 HB2 ASN 26 HB3 ASN 26 7.544 -10.140 1.994 191 HB3 ASN 26 HB2 ASN 26 8.763 -11.187 1.270 192 HD21 ASN 26 HD21 ASN 26 6.003 -11.967 2.034 193 HD22 ASN 26 HD22 ASN 26 6.165 -13.204 3.186 194 H GLY 27 H GLY 27 9.556 -7.647 3.369 195 HA2 GLY 27 HA3 GLY 27 10.917 -5.961 2.400 196 HA3 GLY 27 HA2 GLY 27 11.708 -7.203 1.429 197 H ASP 28 H ASP 28 8.257 -7.182 1.431 198 HA ASP 28 HA ASP 28 8.045 -6.929 -1.385 199 HB2 ASP 28 HB3 ASP 28 6.280 -7.817 0.196 200 HB3 ASP 28 HB2 ASP 28 5.909 -6.141 0.612 201 H CYS 29 H CYS 29 7.815 -4.459 1.172 202 HA CYS 29 HA CYS 29 7.097 -2.298 -0.591 203 HB2 CYS 29 HB3 CYS 29 8.704 -2.070 1.967 204 HB3 CYS 29 HB2 CYS 29 7.682 -0.837 1.234 205 H ASP 30 H ASP 30 10.042 -3.983 0.056 206 HA ASP 30 HA ASP 30 11.688 -1.835 -1.156 207 HB2 ASP 30 HB3 ASP 30 12.405 -4.481 0.133 208 HB3 ASP 30 HB2 ASP 30 13.587 -3.365 -0.554 209 H ASN 31 H ASN 31 9.813 -4.294 -2.293 210 HA ASN 31 HA ASN 31 11.719 -5.104 -4.423 211 HB2 ASN 31 HB3 ASN 31 10.274 -6.792 -3.169 212 HB3 ASN 31 HB2 ASN 31 8.890 -6.081 -3.994 213 HD21 ASN 31 HD21 ASN 31 9.434 -8.752 -4.520 214 HD22 ASN 31 HD22 ASN 31 10.074 -8.926 -6.081 215 H ASP 32 H ASP 32 11.727 -3.797 -6.184 216 HA ASP 32 HA ASP 32 9.767 -1.817 -6.747 217 HB2 ASP 32 HB3 ASP 32 11.726 -3.191 -8.610 218 HB3 ASP 32 HB2 ASP 32 10.802 -1.748 -9.023 219 H ASP 33 H ASP 33 10.029 -5.189 -7.690 220 HA ASP 33 HA ASP 33 7.973 -5.142 -9.697 221 HB2 ASP 33 HB3 ASP 33 9.686 -6.983 -9.338 222 HB3 ASP 33 HB2 ASP 33 8.726 -7.499 -7.950 223 H LYS 34 H LYS 34 7.912 -5.254 -6.202 224 HA LYS 34 HA LYS 34 4.971 -5.782 -6.301 225 HB2 LYS 34 HB3 LYS 34 6.730 -5.854 -3.843 226 HB3 LYS 34 HB2 LYS 34 5.117 -6.538 -4.046 227 HG2 LYS 34 HG3 LYS 34 6.109 -8.031 -5.854 228 HG3 LYS 34 HG2 LYS 34 7.694 -7.486 -5.311 229 HD2 LYS 34 HD3 LYS 34 7.125 -8.257 -3.003 230 HD3 LYS 34 HD2 LYS 34 5.612 -8.911 -3.633 231 HE2 LYS 34 HE3 LYS 34 8.316 -10.012 -3.798 232 HE3 LYS 34 HE2 LYS 34 6.765 -10.811 -4.046 233 HZ1 LYS 34 HZ1 LYS 34 8.340 -9.244 -6.002 234 HZ2 LYS 34 HZ2 LYS 34 6.708 -9.643 -6.255 235 HZ3 LYS 34 HZ3 LYS 34 7.871 -10.871 -6.102 236 H LEU 35 H LEU 35 7.098 -3.248 -6.179 237 HA LEU 35 HA LEU 35 6.185 -1.629 -4.050 238 HB2 LEU 35 HB3 LEU 35 7.438 -1.117 -6.703 239 HB3 LEU 35 HB2 LEU 35 6.658 0.254 -5.915 240 HG LEU 35 HG LEU 35 8.744 -1.530 -4.621 241 HD11 LEU 35 HD11 LEU 35 9.338 1.315 -5.082 242 HD12 LEU 35 HD12 LEU 35 9.171 0.377 -6.564 243 HD13 LEU 35 HD13 LEU 35 10.353 -0.100 -5.345 244 HD21 LEU 35 HD21 LEU 35 7.783 -0.649 -2.753 245 HD22 LEU 35 HD22 LEU 35 6.933 0.598 -3.668 246 HD23 LEU 35 HD23 LEU 35 8.622 0.830 -3.219 247 H LEU 36 H LEU 36 4.880 -1.977 -7.347 248 HA LEU 36 HA LEU 36 2.746 -0.083 -6.985 249 HB2 LEU 36 HB3 LEU 36 3.517 -0.912 -9.212 250 HB3 LEU 36 HB2 LEU 36 2.831 -2.491 -8.831 251 HG LEU 36 HG LEU 36 0.970 -0.242 -8.420 252 HD11 LEU 36 HD11 LEU 36 0.548 0.105 -10.813 253 HD12 LEU 36 HD12 LEU 36 1.868 -0.991 -11.221 254 HD13 LEU 36 HD13 LEU 36 2.213 0.546 -10.426 255 HD21 LEU 36 HD21 LEU 36 0.557 -2.795 -8.402 256 HD22 LEU 36 HD22 LEU 36 0.657 -2.693 -10.159 257 HD23 LEU 36 HD23 LEU 36 -0.592 -1.799 -9.295 258 H GLU 37 H GLU 37 3.039 -3.567 -6.413 259 HA GLU 37 HA GLU 37 0.294 -4.099 -5.857 260 HB2 GLU 37 HB3 GLU 37 2.782 -5.385 -4.684 261 HB3 GLU 37 HB2 GLU 37 1.151 -6.050 -4.581 262 HG2 GLU 37 HG3 GLU 37 1.053 -6.077 -7.079 263 HG3 GLU 37 HG2 GLU 37 2.737 -5.548 -7.114 264 H MET 38 H MET 38 2.940 -2.958 -3.795 265 HA MET 38 HA MET 38 1.419 -3.027 -1.347 266 HB2 MET 38 HB3 MET 38 3.891 -1.506 -2.181 267 HB3 MET 38 HB2 MET 38 3.247 -1.502 -0.537 268 HG2 MET 38 HG3 MET 38 4.029 -3.986 -2.080 269 HG3 MET 38 HG2 MET 38 5.042 -3.213 -0.867 270 HE1 MET 38 HE1 MET 38 1.344 -5.744 -0.495 271 HE2 MET 38 HE2 MET 38 2.900 -6.379 -1.022 272 HE3 MET 38 HE3 MET 38 2.144 -5.059 -1.915 273 H GLY 39 H GLY 39 2.229 -0.377 -3.607 274 HA2 GLY 39 HA3 GLY 39 0.891 1.693 -2.211 275 HA3 GLY 39 HA2 GLY 39 1.114 1.662 -3.963 276 H TYR 40 H TYR 40 -0.288 -0.944 -4.154 277 HA TYR 40 HA TYR 40 -3.039 0.147 -4.177 278 HB2 TYR 40 HB3 TYR 40 -2.273 -0.851 -6.244 279 HB3 TYR 40 HB2 TYR 40 -1.807 -2.331 -5.405 280 HD1 TYR 40 HD1 TYR 40 -3.546 -3.788 -4.374 281 HD2 TYR 40 HD2 TYR 40 -4.553 -0.423 -6.844 282 HE1 TYR 40 HE1 TYR 40 -5.843 -4.679 -4.645 283 HE2 TYR 40 HE2 TYR 40 -6.853 -1.312 -7.118 284 HH TYR 40 HH TYR 40 -7.936 -4.176 -5.341 285 H TYR 41 H TYR 41 -1.428 -2.900 -3.181 286 HA TYR 41 HA TYR 41 -3.772 -3.736 -1.677 287 HB2 TYR 41 HB3 TYR 41 -0.972 -4.850 -1.926 288 HB3 TYR 41 HB2 TYR 41 -2.194 -5.574 -0.883 289 HD1 TYR 41 HD1 TYR 41 -4.403 -6.308 -1.913 290 HD2 TYR 41 HD2 TYR 41 -0.969 -5.265 -4.273 291 HE1 TYR 41 HE1 TYR 41 -5.380 -7.492 -3.856 292 HE2 TYR 41 HE2 TYR 41 -1.947 -6.451 -6.217 293 HH TYR 41 HH TYR 41 -3.564 -8.178 -6.690 294 H CYS 42 H CYS 42 -0.495 -2.607 -0.765 295 HA CYS 42 HA CYS 42 -1.663 -1.912 1.889 296 HB2 CYS 42 HB3 CYS 42 1.107 -3.051 1.578 297 HB3 CYS 42 HB2 CYS 42 0.159 -2.854 3.055 298 HA PRO 43 HA PRO 43 0.746 1.629 0.005 299 HB2 PRO 43 HB3 PRO 43 -1.178 3.520 0.528 300 HB3 PRO 43 HB2 PRO 43 -1.117 2.576 -0.972 301 HG2 PRO 43 HG3 PRO 43 -2.803 2.171 1.449 302 HG3 PRO 43 HG2 PRO 43 -3.234 2.018 -0.263 303 HD2 PRO 43 HD3 PRO 43 -2.715 -0.145 1.298 304 HD3 PRO 43 HD2 PRO 43 -2.332 -0.119 -0.439 305 H VAL 44 H VAL 44 -1.166 1.347 2.968 306 HA VAL 44 HA VAL 44 0.333 3.431 4.361 307 HB VAL 44 HB VAL 44 -1.606 1.332 5.372 308 HG11 VAL 44 HG11 VAL 44 -0.285 3.701 6.712 309 HG12 VAL 44 HG12 VAL 44 -0.250 2.014 7.224 310 HG13 VAL 44 HG13 VAL 44 -1.747 2.940 7.340 311 HG21 VAL 44 HG21 VAL 44 -2.087 4.294 5.067 312 HG22 VAL 44 HG22 VAL 44 -3.270 2.997 5.216 313 HG23 VAL 44 HG23 VAL 44 -2.355 3.187 3.721 314 H THR 45 H THR 45 0.252 -0.139 4.437 315 HA THR 45 HA THR 45 2.111 -0.499 6.550 316 HB THR 45 HB THR 45 1.813 -2.269 4.117 317 HG1 THR 45 HG1 THR 45 0.147 -3.219 5.216 318 HG21 THR 45 HG21 THR 45 2.315 -4.001 5.990 319 HG22 THR 45 HG22 THR 45 2.931 -2.611 6.884 320 HG23 THR 45 HG23 THR 45 3.648 -3.051 5.334 321 H CYS 46 H CYS 46 2.674 -0.022 3.058 322 HA CYS 46 HA CYS 46 5.571 -0.321 3.475 323 HB2 CYS 46 HB3 CYS 46 3.888 0.337 1.055 324 HB3 CYS 46 HB2 CYS 46 5.653 0.322 1.018 325 H GLY 47 H GLY 47 3.330 2.193 3.819 326 HA2 GLY 47 HA3 GLY 47 3.814 4.378 4.587 327 HA3 GLY 47 HA2 GLY 47 5.515 4.087 4.253 328 H PHE 48 H PHE 48 2.831 3.816 1.904 329 HA PHE 48 HA PHE 48 4.195 5.976 0.340 330 HB2 PHE 48 HB3 PHE 48 2.102 3.985 -0.599 331 HB3 PHE 48 HB2 PHE 48 2.993 5.121 -1.610 332 HD1 PHE 48 HD2 PHE 48 5.718 4.961 -0.964 333 HD2 PHE 48 HD1 PHE 48 2.808 1.812 -0.847 334 HE1 PHE 48 HE2 PHE 48 7.522 3.284 -1.237 335 HE2 PHE 48 HE1 PHE 48 4.609 0.140 -1.121 336 HZ PHE 48 HZ PHE 48 6.964 0.870 -1.317 337 H CYS 49 H CYS 49 1.507 5.185 2.232 338 HA CYS 49 HA CYS 49 0.265 7.803 1.633 339 HB2 CYS 49 HB3 CYS 49 -0.800 5.804 0.306 340 HB3 CYS 49 HB2 CYS 49 -1.508 5.391 1.867 341 H GLU 50 H GLU 50 -1.665 8.050 3.309 342 HA GLU 50 HA GLU 50 -0.548 7.221 5.945 343 HB2 GLU 50 HB3 GLU 50 -1.967 9.596 4.921 344 HB3 GLU 50 HB2 GLU 50 -2.533 9.037 6.496 345 HG2 GLU 50 HG3 GLU 50 -0.469 9.398 7.516 346 HG3 GLU 50 HG2 GLU 50 0.421 9.257 5.998 347 HA PRO 51 HA PRO 51 -3.935 4.520 6.731 348 HB2 PRO 51 HB3 PRO 51 -4.412 5.005 9.405 349 HB3 PRO 51 HB2 PRO 51 -3.079 4.010 8.794 350 HG2 PRO 51 HG3 PRO 51 -3.058 6.804 9.778 351 HG3 PRO 51 HG2 PRO 51 -1.827 5.542 9.927 352 HD2 PRO 51 HD3 PRO 51 -1.661 7.614 8.128 353 HD3 PRO 51 HD2 PRO 51 -0.887 6.034 7.878 Start of MODEL 18 1 HA ASN 1 HA ASN 1 -27.170 12.612 -3.209 2 HB2 ASN 1 HB3 ASN 1 -28.077 13.459 -5.512 3 HB3 ASN 1 HB2 ASN 1 -26.651 14.495 -5.498 4 HD21 ASN 1 HD21 ASN 1 -26.381 12.816 -7.512 5 HD22 ASN 1 HD22 ASN 1 -25.438 11.450 -7.145 6 H ASP 2 H ASP 2 -25.702 13.015 -1.560 7 HA ASP 2 HA ASP 2 -24.285 15.491 -1.229 8 HB2 ASP 2 HB3 ASP 2 -23.628 12.695 -0.258 9 HB3 ASP 2 HB2 ASP 2 -22.816 14.161 0.289 10 H ILE 3 H ILE 3 -22.272 16.121 -1.976 11 HA ILE 3 HA ILE 3 -21.253 14.753 -4.343 12 HB ILE 3 HB ILE 3 -20.139 17.115 -2.801 13 HG12 ILE 3 HG13 ILE 3 -21.767 17.065 -5.363 14 HG13 ILE 3 HG12 ILE 3 -22.459 17.391 -3.773 15 HG21 ILE 3 HG21 ILE 3 -18.346 16.707 -4.131 16 HG22 ILE 3 HG22 ILE 3 -19.359 17.302 -5.444 17 HG23 ILE 3 HG23 ILE 3 -19.248 15.566 -5.133 18 HD11 ILE 3 HD11 ILE 3 -21.348 19.287 -5.482 19 HD12 ILE 3 HD12 ILE 3 -20.074 19.002 -4.292 20 HD13 ILE 3 HD13 ILE 3 -21.680 19.513 -3.764 21 H ARG 4 H ARG 4 -20.828 14.248 -1.061 22 HA ARG 4 HA ARG 4 -17.973 13.676 -1.047 23 HB2 ARG 4 HB3 ARG 4 -20.166 12.821 0.862 24 HB3 ARG 4 HB2 ARG 4 -18.437 12.664 1.161 25 HG2 ARG 4 HG3 ARG 4 -18.217 15.145 0.878 26 HG3 ARG 4 HG2 ARG 4 -19.976 15.245 0.752 27 HD2 ARG 4 HD3 ARG 4 -20.080 14.047 2.996 28 HD3 ARG 4 HD2 ARG 4 -18.340 14.320 3.124 29 HE ARG 4 HE ARG 4 -19.280 16.836 2.603 30 HH11 ARG 4 HH21 ARG 4 -20.183 14.315 4.772 31 HH12 ARG 4 HH22 ARG 4 -20.767 15.392 5.995 32 HH21 ARG 4 HH11 ARG 4 -20.032 18.262 4.185 33 HH22 ARG 4 HH12 ARG 4 -20.683 17.634 5.660 34 H THR 5 H THR 5 -20.414 12.214 -2.625 35 HA THR 5 HA THR 5 -19.684 9.434 -2.047 36 HB THR 5 HB THR 5 -22.029 10.332 -2.691 37 HG1 THR 5 HG1 THR 5 -21.153 8.216 -4.319 38 HG21 THR 5 HG21 THR 5 -22.513 10.675 -4.968 39 HG22 THR 5 HG22 THR 5 -20.997 9.940 -5.491 40 HG23 THR 5 HG23 THR 5 -20.989 11.532 -4.731 41 H ALA 6 H ALA 6 -18.312 11.894 -3.799 42 HA ALA 6 HA ALA 6 -17.514 10.359 -6.161 43 HB1 ALA 6 HB1 ALA 6 -17.295 13.098 -5.212 44 HB2 ALA 6 HB2 ALA 6 -17.204 12.481 -6.863 45 HB3 ALA 6 HB3 ALA 6 -15.757 12.523 -5.858 46 H ALA 7 H ALA 7 -16.510 10.448 -2.920 47 HA ALA 7 HA ALA 7 -14.621 9.592 -1.823 48 HB1 ALA 7 HB1 ALA 7 -14.119 8.048 -4.370 49 HB2 ALA 7 HB2 ALA 7 -15.401 7.610 -3.238 50 HB3 ALA 7 HB3 ALA 7 -13.719 7.579 -2.720 51 H ASP 8 H ASP 8 -12.736 10.630 -1.470 52 HA ASP 8 HA ASP 8 -11.308 11.811 -3.811 53 HB2 ASP 8 HB3 ASP 8 -11.196 12.466 -0.851 54 HB3 ASP 8 HB2 ASP 8 -10.168 13.217 -2.071 55 H MET 9 H MET 9 -11.224 9.087 -2.017 56 HA MET 9 HA MET 9 -9.542 7.565 -1.417 57 HB2 MET 9 HB3 MET 9 -8.583 8.888 -3.932 58 HB3 MET 9 HB2 MET 9 -7.521 7.750 -3.099 59 HG2 MET 9 HG3 MET 9 -10.284 6.782 -3.369 60 HG3 MET 9 HG2 MET 9 -9.477 7.046 -4.914 61 HE1 MET 9 HE1 MET 9 -8.263 4.247 -1.500 62 HE2 MET 9 HE2 MET 9 -9.607 5.381 -1.566 63 HE3 MET 9 HE3 MET 9 -7.962 5.984 -1.357 64 H GLU 10 H GLU 10 -9.428 10.440 -0.379 65 HA GLU 10 HA GLU 10 -6.669 11.139 -0.023 66 HB2 GLU 10 HB3 GLU 10 -8.576 12.701 0.305 67 HB3 GLU 10 HB2 GLU 10 -9.050 11.781 1.736 68 HG2 GLU 10 HG3 GLU 10 -7.740 13.632 2.516 69 HG3 GLU 10 HG2 GLU 10 -6.718 12.199 2.638 70 H HIS 11 H HIS 11 -8.801 8.868 1.563 71 HA HIS 11 HA HIS 11 -6.800 8.474 3.731 72 HB2 HIS 11 HB3 HIS 11 -9.664 7.535 3.420 73 HB3 HIS 11 HB2 HIS 11 -8.616 7.045 4.750 74 HD1 HIS 11 HD1 HIS 11 -10.744 9.819 3.565 75 HD2 HIS 11 HD2 HIS 11 -7.802 9.278 6.471 76 HE1 HIS 11 HE1 HIS 11 -10.898 11.813 5.121 77 HE2 HIS 11 HE2 HIS 11 -9.122 11.487 6.901 78 H CYS 12 H CYS 12 -5.384 6.871 3.477 79 HA CYS 12 HA CYS 12 -5.981 4.680 1.541 80 HB2 CYS 12 HB3 CYS 12 -3.367 5.528 2.817 81 HB3 CYS 12 HB2 CYS 12 -3.548 4.303 1.565 82 H ALA 13 H ALA 13 -5.955 2.512 2.246 83 HA ALA 13 HA ALA 13 -5.293 2.037 5.113 84 HB1 ALA 13 HB1 ALA 13 -7.884 2.276 4.333 85 HB2 ALA 13 HB2 ALA 13 -7.358 1.245 5.665 86 HB3 ALA 13 HB3 ALA 13 -7.629 0.551 4.066 87 H ASP 14 H ASP 14 -4.566 -0.103 5.545 88 HA ASP 14 HA ASP 14 -3.343 -1.445 3.289 89 HB2 ASP 14 HB3 ASP 14 -3.702 -2.301 6.174 90 HB3 ASP 14 HB2 ASP 14 -2.741 -3.185 4.992 91 H GLU 15 H GLU 15 -4.094 -3.226 2.172 92 HA GLU 15 HA GLU 15 -6.883 -3.820 2.180 93 HB2 GLU 15 HB3 GLU 15 -4.455 -4.884 0.875 94 HB3 GLU 15 HB2 GLU 15 -5.767 -6.049 1.058 95 HG2 GLU 15 HG3 GLU 15 -5.779 -4.621 -1.080 96 HG3 GLU 15 HG2 GLU 15 -7.283 -4.707 -0.169 97 H LYS 16 H LYS 16 -8.070 -5.368 3.214 98 HA LYS 16 HA LYS 16 -6.848 -6.664 5.548 99 HB2 LYS 16 HB3 LYS 16 -9.121 -7.258 6.134 100 HB3 LYS 16 HB2 LYS 16 -9.118 -5.582 5.577 101 HG2 LYS 16 HG3 LYS 16 -9.773 -6.387 3.302 102 HG3 LYS 16 HG2 LYS 16 -9.913 -8.016 3.959 103 HD2 LYS 16 HD3 LYS 16 -11.507 -7.043 5.690 104 HD3 LYS 16 HD2 LYS 16 -11.532 -5.578 4.707 105 HE2 LYS 16 HE3 LYS 16 -12.320 -8.362 3.805 106 HE3 LYS 16 HE2 LYS 16 -13.410 -6.998 4.065 107 HZ1 LYS 16 HZ1 LYS 16 -11.150 -6.665 2.229 108 HZ2 LYS 16 HZ2 LYS 16 -12.691 -5.944 2.193 109 HZ3 LYS 16 HZ3 LYS 16 -12.491 -7.557 1.698 110 H ASN 17 H ASN 17 -7.812 -7.529 2.314 111 HA ASN 17 HA ASN 17 -7.805 -10.414 2.916 112 HB2 ASN 17 HB3 ASN 17 -7.959 -8.958 0.259 113 HB3 ASN 17 HB2 ASN 17 -8.266 -10.672 0.519 114 HD21 ASN 17 HD21 ASN 17 -9.847 -7.717 0.234 115 HD22 ASN 17 HD22 ASN 17 -11.277 -8.103 1.058 116 H PHE 18 H PHE 18 -5.454 -8.077 2.345 117 HA PHE 18 HA PHE 18 -3.593 -10.085 1.140 118 HB2 PHE 18 HB3 PHE 18 -3.973 -7.907 -0.097 119 HB3 PHE 18 HB2 PHE 18 -3.232 -7.076 1.272 120 HD1 PHE 18 HD1 PHE 18 -0.858 -7.332 1.771 121 HD2 PHE 18 HD2 PHE 18 -2.652 -9.345 -1.569 122 HE1 PHE 18 HE1 PHE 18 1.387 -7.816 0.851 123 HE2 PHE 18 HE2 PHE 18 -0.402 -9.839 -2.481 124 HZ PHE 18 HZ PHE 18 1.622 -9.075 -1.270 125 H ASP 19 H ASP 19 -1.834 -10.733 2.351 126 HA ASP 19 HA ASP 19 -1.692 -9.839 5.137 127 HB2 ASP 19 HB3 ASP 19 0.081 -11.753 3.576 128 HB3 ASP 19 HB2 ASP 19 0.143 -11.492 5.320 129 H CYS 20 H CYS 20 -1.128 -7.614 4.845 130 HA CYS 20 HA CYS 20 1.194 -6.794 3.333 131 HB2 CYS 20 HB3 CYS 20 -0.157 -5.316 5.606 132 HB3 CYS 20 HB2 CYS 20 0.797 -4.620 4.291 133 H ARG 21 H ARG 21 0.614 -7.684 6.686 134 HA ARG 21 HA ARG 21 3.080 -6.744 7.773 135 HB2 ARG 21 HB3 ARG 21 0.940 -7.716 8.923 136 HB3 ARG 21 HB2 ARG 21 1.727 -9.275 8.689 137 HG2 ARG 21 HG3 ARG 21 2.855 -6.903 10.204 138 HG3 ARG 21 HG2 ARG 21 2.290 -8.417 10.899 139 HD2 ARG 21 HD3 ARG 21 4.047 -9.579 9.452 140 HD3 ARG 21 HD2 ARG 21 4.707 -7.974 9.144 141 HE ARG 21 HE ARG 21 4.781 -9.401 11.724 142 HH11 ARG 21 HH21 ARG 21 5.215 -6.526 9.870 143 HH12 ARG 21 HH22 ARG 21 6.225 -5.762 11.048 144 HH21 ARG 21 HH11 ARG 21 6.103 -8.413 13.269 145 HH22 ARG 21 HH12 ARG 21 6.736 -6.829 12.962 146 H ARG 22 H ARG 22 2.155 -9.958 6.503 147 HA ARG 22 HA ARG 22 4.787 -11.081 6.771 148 HB2 ARG 22 HB3 ARG 22 3.255 -12.773 6.524 149 HB3 ARG 22 HB2 ARG 22 2.241 -11.834 5.429 150 HG2 ARG 22 HG3 ARG 22 3.700 -12.218 3.585 151 HG3 ARG 22 HG2 ARG 22 4.962 -12.867 4.633 152 HD2 ARG 22 HD3 ARG 22 3.590 -14.807 5.160 153 HD3 ARG 22 HD2 ARG 22 2.236 -14.130 4.257 154 HE ARG 22 HE ARG 22 4.615 -15.405 3.093 155 HH11 ARG 22 HH21 ARG 22 1.879 -13.338 2.715 156 HH12 ARG 22 HH22 ARG 22 1.781 -13.557 0.998 157 HH21 ARG 22 HH11 ARG 22 4.506 -15.694 0.842 158 HH22 ARG 22 HH12 ARG 22 3.270 -14.881 -0.060 159 H SER 23 H SER 23 3.070 -9.585 4.036 160 HA SER 23 HA SER 23 5.162 -9.935 2.118 161 HB2 SER 23 HB3 SER 23 3.016 -7.807 2.328 162 HB3 SER 23 HB2 SER 23 4.022 -8.073 0.906 163 HG SER 23 HG SER 23 2.039 -9.719 2.055 164 H LEU 24 H LEU 24 4.545 -7.411 4.540 165 HA LEU 24 HA LEU 24 6.502 -5.548 3.605 166 HB2 LEU 24 HB3 LEU 24 4.686 -5.184 5.378 167 HB3 LEU 24 HB2 LEU 24 5.789 -5.961 6.512 168 HG LEU 24 HG LEU 24 6.516 -3.552 4.817 169 HD11 LEU 24 HD11 LEU 24 6.371 -3.078 7.666 170 HD12 LEU 24 HD12 LEU 24 4.824 -3.674 7.069 171 HD13 LEU 24 HD13 LEU 24 5.549 -2.227 6.358 172 HD21 LEU 24 HD21 LEU 24 7.926 -5.237 6.849 173 HD22 LEU 24 HD22 LEU 24 8.243 -3.503 6.859 174 HD23 LEU 24 HD23 LEU 24 8.567 -4.446 5.406 175 H ARG 25 H ARG 25 6.769 -8.074 6.147 176 HA ARG 25 HA ARG 25 9.570 -7.597 6.605 177 HB2 ARG 25 HB3 ARG 25 9.550 -9.752 7.790 178 HB3 ARG 25 HB2 ARG 25 8.128 -8.803 8.229 179 HG2 ARG 25 HG3 ARG 25 6.825 -10.049 6.505 180 HG3 ARG 25 HG2 ARG 25 8.234 -11.072 6.217 181 HD2 ARG 25 HD3 ARG 25 8.195 -11.663 8.672 182 HD3 ARG 25 HD2 ARG 25 6.665 -10.790 8.798 183 HE ARG 25 HE ARG 25 5.609 -12.621 7.754 184 HH11 ARG 25 HH21 ARG 25 9.010 -12.591 7.230 185 HH12 ARG 25 HH22 ARG 25 9.041 -14.134 6.442 186 HH21 ARG 25 HH11 ARG 25 5.623 -14.644 6.733 187 HH22 ARG 25 HH12 ARG 25 7.121 -15.299 6.162 188 H ASN 26 H ASN 26 7.794 -9.330 4.197 189 HA ASN 26 HA ASN 26 9.991 -11.015 3.312 190 HB2 ASN 26 HB3 ASN 26 7.412 -10.149 1.976 191 HB3 ASN 26 HB2 ASN 26 8.541 -11.302 1.269 192 HD21 ASN 26 HD21 ASN 26 5.819 -12.011 2.019 193 HD22 ASN 26 HD22 ASN 26 5.916 -13.145 3.279 194 H GLY 27 H GLY 27 9.520 -7.742 3.217 195 HA2 GLY 27 HA3 GLY 27 10.924 -6.139 2.169 196 HA3 GLY 27 HA2 GLY 27 11.585 -7.423 1.156 197 H ASP 28 H ASP 28 8.169 -7.429 1.262 198 HA ASP 28 HA ASP 28 7.880 -7.018 -1.521 199 HB2 ASP 28 HB3 ASP 28 6.185 -7.930 0.240 200 HB3 ASP 28 HB2 ASP 28 5.710 -6.245 0.417 201 H CYS 29 H CYS 29 7.668 -4.712 1.176 202 HA CYS 29 HA CYS 29 6.932 -2.460 -0.470 203 HB2 CYS 29 HB3 CYS 29 8.444 -2.411 2.165 204 HB3 CYS 29 HB2 CYS 29 7.513 -1.093 1.456 205 H ASP 30 H ASP 30 9.872 -4.154 0.156 206 HA ASP 30 HA ASP 30 11.528 -1.940 -0.915 207 HB2 ASP 30 HB3 ASP 30 12.284 -4.646 0.228 208 HB3 ASP 30 HB2 ASP 30 13.436 -3.427 -0.327 209 H ASN 31 H ASN 31 9.694 -4.315 -2.243 210 HA ASN 31 HA ASN 31 11.690 -5.020 -4.329 211 HB2 ASN 31 HB3 ASN 31 10.243 -6.787 -3.212 212 HB3 ASN 31 HB2 ASN 31 8.868 -6.058 -4.033 213 HD21 ASN 31 HD21 ASN 31 9.356 -8.639 -4.724 214 HD22 ASN 31 HD22 ASN 31 10.078 -8.752 -6.251 215 H ASP 32 H ASP 32 11.755 -3.544 -5.948 216 HA ASP 32 HA ASP 32 9.798 -1.593 -6.520 217 HB2 ASP 32 HB3 ASP 32 12.135 -1.553 -7.381 218 HB3 ASP 32 HB2 ASP 32 11.720 -2.864 -8.485 219 H ASP 33 H ASP 33 10.117 -4.900 -7.659 220 HA ASP 33 HA ASP 33 8.151 -4.753 -9.738 221 HB2 ASP 33 HB3 ASP 33 9.811 -6.594 -9.482 222 HB3 ASP 33 HB2 ASP 33 8.943 -7.143 -8.047 223 H LYS 34 H LYS 34 7.919 -5.024 -6.264 224 HA LYS 34 HA LYS 34 4.987 -5.557 -6.499 225 HB2 LYS 34 HB3 LYS 34 6.663 -5.744 -3.994 226 HB3 LYS 34 HB2 LYS 34 5.065 -6.430 -4.286 227 HG2 LYS 34 HG3 LYS 34 6.134 -7.796 -6.154 228 HG3 LYS 34 HG2 LYS 34 7.693 -7.288 -5.505 229 HD2 LYS 34 HD3 LYS 34 6.984 -8.199 -3.273 230 HD3 LYS 34 HD2 LYS 34 5.534 -8.836 -4.047 231 HE2 LYS 34 HE3 LYS 34 7.538 -9.738 -5.715 232 HE3 LYS 34 HE2 LYS 34 8.290 -9.848 -4.123 233 HZ1 LYS 34 HZ1 LYS 34 7.171 -11.757 -3.972 234 HZ2 LYS 34 HZ2 LYS 34 6.098 -11.359 -5.229 235 HZ3 LYS 34 HZ3 LYS 34 5.816 -10.786 -3.655 236 H LEU 35 H LEU 35 7.093 -3.033 -6.155 237 HA LEU 35 HA LEU 35 6.074 -1.552 -3.981 238 HB2 LEU 35 HB3 LEU 35 7.409 -0.866 -6.559 239 HB3 LEU 35 HB2 LEU 35 6.670 0.444 -5.641 240 HG LEU 35 HG LEU 35 8.724 -1.522 -4.569 241 HD11 LEU 35 HD11 LEU 35 9.255 1.389 -4.669 242 HD12 LEU 35 HD12 LEU 35 9.185 0.587 -6.238 243 HD13 LEU 35 HD13 LEU 35 10.333 0.038 -5.018 244 HD21 LEU 35 HD21 LEU 35 6.939 0.492 -3.328 245 HD22 LEU 35 HD22 LEU 35 8.623 0.558 -2.815 246 HD23 LEU 35 HD23 LEU 35 7.698 -0.929 -2.612 247 H LEU 36 H LEU 36 4.939 -1.648 -7.378 248 HA LEU 36 HA LEU 36 2.780 0.206 -6.958 249 HB2 LEU 36 HB3 LEU 36 3.611 -0.433 -9.216 250 HB3 LEU 36 HB2 LEU 36 2.961 -2.052 -8.975 251 HG LEU 36 HG LEU 36 1.053 0.161 -8.481 252 HD11 LEU 36 HD11 LEU 36 2.182 1.081 -10.425 253 HD12 LEU 36 HD12 LEU 36 0.640 0.401 -10.950 254 HD13 LEU 36 HD13 LEU 36 2.138 -0.484 -11.240 255 HD21 LEU 36 HD21 LEU 36 -0.418 -1.403 -9.745 256 HD22 LEU 36 HD22 LEU 36 0.388 -2.204 -8.400 257 HD23 LEU 36 HD23 LEU 36 0.975 -2.445 -10.043 258 H GLU 37 H GLU 37 3.064 -3.320 -6.690 259 HA GLU 37 HA GLU 37 0.307 -3.865 -6.220 260 HB2 GLU 37 HB3 GLU 37 2.751 -5.304 -5.132 261 HB3 GLU 37 HB2 GLU 37 1.106 -5.941 -5.125 262 HG2 GLU 37 HG3 GLU 37 2.620 -5.138 -7.627 263 HG3 GLU 37 HG2 GLU 37 2.434 -6.795 -7.056 264 H MET 38 H MET 38 2.931 -2.933 -3.988 265 HA MET 38 HA MET 38 1.302 -3.170 -1.605 266 HB2 MET 38 HB3 MET 38 3.847 -1.654 -2.211 267 HB3 MET 38 HB2 MET 38 3.109 -1.696 -0.612 268 HG2 MET 38 HG3 MET 38 3.931 -4.141 -2.202 269 HG3 MET 38 HG2 MET 38 4.887 -3.431 -0.904 270 HE1 MET 38 HE1 MET 38 1.267 -6.086 -0.790 271 HE2 MET 38 HE2 MET 38 2.874 -6.536 -1.351 272 HE3 MET 38 HE3 MET 38 2.001 -5.234 -2.154 273 H GLY 39 H GLY 39 2.216 -0.417 -3.692 274 HA2 GLY 39 HA3 GLY 39 0.889 1.608 -2.230 275 HA3 GLY 39 HA2 GLY 39 1.131 1.647 -3.979 276 H TYR 40 H TYR 40 -0.311 -0.973 -4.216 277 HA TYR 40 HA TYR 40 -3.039 0.175 -4.284 278 HB2 TYR 40 HB3 TYR 40 -2.266 -0.857 -6.336 279 HB3 TYR 40 HB2 TYR 40 -1.845 -2.340 -5.481 280 HD1 TYR 40 HD1 TYR 40 -3.682 -3.691 -4.385 281 HD2 TYR 40 HD2 TYR 40 -4.476 -0.455 -7.088 282 HE1 TYR 40 HE1 TYR 40 -5.979 -4.553 -4.737 283 HE2 TYR 40 HE2 TYR 40 -6.775 -1.311 -7.438 284 HH TYR 40 HH TYR 40 -8.258 -3.454 -5.465 285 H TYR 41 H TYR 41 -1.500 -2.901 -3.207 286 HA TYR 41 HA TYR 41 -3.885 -3.645 -1.704 287 HB2 TYR 41 HB3 TYR 41 -1.135 -4.852 -1.991 288 HB3 TYR 41 HB2 TYR 41 -2.331 -5.513 -0.876 289 HD1 TYR 41 HD1 TYR 41 -4.544 -6.314 -1.754 290 HD2 TYR 41 HD2 TYR 41 -1.302 -5.216 -4.345 291 HE1 TYR 41 HE1 TYR 41 -5.623 -7.535 -3.620 292 HE2 TYR 41 HE2 TYR 41 -2.383 -6.436 -6.214 293 HH TYR 41 HH TYR 41 -4.250 -7.479 -6.894 294 H CYS 42 H CYS 42 -0.558 -2.650 -0.777 295 HA CYS 42 HA CYS 42 -1.718 -1.889 1.864 296 HB2 CYS 42 HB3 CYS 42 1.032 -3.082 1.634 297 HB3 CYS 42 HB2 CYS 42 0.017 -2.904 3.062 298 HA PRO 43 HA PRO 43 0.824 1.558 -0.018 299 HB2 PRO 43 HB3 PRO 43 -1.062 3.498 0.461 300 HB3 PRO 43 HB2 PRO 43 -0.987 2.548 -1.037 301 HG2 PRO 43 HG3 PRO 43 -2.747 2.196 1.342 302 HG3 PRO 43 HG2 PRO 43 -3.133 2.041 -0.380 303 HD2 PRO 43 HD3 PRO 43 -2.707 -0.117 1.217 304 HD3 PRO 43 HD2 PRO 43 -2.282 -0.115 -0.509 305 H VAL 44 H VAL 44 -1.150 1.400 2.923 306 HA VAL 44 HA VAL 44 0.382 3.467 4.295 307 HB VAL 44 HB VAL 44 -1.565 1.394 5.342 308 HG11 VAL 44 HG11 VAL 44 0.147 3.372 6.655 309 HG12 VAL 44 HG12 VAL 44 -0.756 2.028 7.353 310 HG13 VAL 44 HG13 VAL 44 -1.560 3.566 7.059 311 HG21 VAL 44 HG21 VAL 44 -2.136 3.419 3.643 312 HG22 VAL 44 HG22 VAL 44 -2.227 4.287 5.175 313 HG23 VAL 44 HG23 VAL 44 -3.253 2.880 4.897 314 H THR 45 H THR 45 0.232 -0.090 4.420 315 HA THR 45 HA THR 45 2.104 -0.469 6.519 316 HB THR 45 HB THR 45 1.650 -2.267 4.125 317 HG1 THR 45 HG1 THR 45 -0.180 -2.717 5.027 318 HG21 THR 45 HG21 THR 45 2.304 -4.022 5.850 319 HG22 THR 45 HG22 THR 45 2.844 -2.686 6.868 320 HG23 THR 45 HG23 THR 45 3.605 -2.966 5.299 321 H CYS 46 H CYS 46 2.665 -0.032 3.018 322 HA CYS 46 HA CYS 46 5.548 -0.468 3.405 323 HB2 CYS 46 HB3 CYS 46 3.887 0.264 0.986 324 HB3 CYS 46 HB2 CYS 46 5.644 0.097 0.943 325 H GLY 47 H GLY 47 3.588 2.097 4.073 326 HA2 GLY 47 HA3 GLY 47 4.211 4.278 4.706 327 HA3 GLY 47 HA2 GLY 47 5.858 3.896 4.236 328 H PHE 48 H PHE 48 3.026 3.704 2.092 329 HA PHE 48 HA PHE 48 4.290 5.858 0.441 330 HB2 PHE 48 HB3 PHE 48 2.253 3.786 -0.419 331 HB3 PHE 48 HB2 PHE 48 3.137 4.893 -1.466 332 HD1 PHE 48 HD1 PHE 48 5.788 4.540 0.292 333 HD2 PHE 48 HD2 PHE 48 3.072 1.848 -1.670 334 HE1 PHE 48 HE1 PHE 48 7.607 2.881 0.049 335 HE2 PHE 48 HE2 PHE 48 4.897 0.194 -1.916 336 HZ PHE 48 HZ PHE 48 7.163 0.708 -1.054 337 H CYS 49 H CYS 49 1.692 5.093 2.466 338 HA CYS 49 HA CYS 49 0.441 7.676 1.831 339 HB2 CYS 49 HB3 CYS 49 -0.604 5.665 0.456 340 HB3 CYS 49 HB2 CYS 49 -1.426 5.348 1.982 341 H GLU 50 H GLU 50 -1.457 8.016 3.432 342 HA GLU 50 HA GLU 50 -0.510 7.071 6.086 343 HB2 GLU 50 HB3 GLU 50 -2.612 9.158 5.912 344 HB3 GLU 50 HB2 GLU 50 -1.162 9.098 6.925 345 HG2 GLU 50 HG3 GLU 50 -0.695 10.844 5.412 346 HG3 GLU 50 HG2 GLU 50 0.140 9.456 4.708 347 HA PRO 51 HA PRO 51 -4.120 4.601 6.635 348 HB2 PRO 51 HB3 PRO 51 -4.479 4.794 9.345 349 HB3 PRO 51 HB2 PRO 51 -3.202 3.819 8.596 350 HG2 PRO 51 HG3 PRO 51 -3.036 6.487 9.877 351 HG3 PRO 51 HG2 PRO 51 -1.866 5.157 9.871 352 HD2 PRO 51 HD3 PRO 51 -1.641 7.401 8.282 353 HD3 PRO 51 HD2 PRO 51 -0.914 5.826 7.888 Start of MODEL 19 1 HA ASN 1 HA ASN 1 -22.861 16.917 -10.981 2 HB2 ASN 1 HB3 ASN 1 -24.307 16.150 -13.539 3 HB3 ASN 1 HB2 ASN 1 -25.070 16.541 -11.997 4 HD21 ASN 1 HD21 ASN 1 -25.622 18.086 -14.346 5 HD22 ASN 1 HD22 ASN 1 -24.975 19.640 -14.129 6 H ASP 2 H ASP 2 -21.056 14.642 -12.156 7 HA ASP 2 HA ASP 2 -22.699 12.261 -11.890 8 HB2 ASP 2 HB3 ASP 2 -20.574 11.034 -12.009 9 HB3 ASP 2 HB2 ASP 2 -20.633 12.275 -13.258 10 H ILE 3 H ILE 3 -22.850 10.885 -10.113 11 HA ILE 3 HA ILE 3 -22.423 12.136 -7.510 12 HB ILE 3 HB ILE 3 -23.341 9.322 -8.192 13 HG12 ILE 3 HG13 ILE 3 -25.001 11.764 -7.491 14 HG13 ILE 3 HG12 ILE 3 -24.749 11.196 -9.141 15 HG21 ILE 3 HG21 ILE 3 -22.731 10.664 -5.711 16 HG22 ILE 3 HG22 ILE 3 -23.270 9.005 -5.966 17 HG23 ILE 3 HG23 ILE 3 -24.455 10.299 -5.781 18 HD11 ILE 3 HD11 ILE 3 -25.629 8.933 -8.364 19 HD12 ILE 3 HD12 ILE 3 -26.820 10.232 -8.419 20 HD13 ILE 3 HD13 ILE 3 -26.126 9.736 -6.877 21 H ARG 4 H ARG 4 -20.378 10.549 -9.581 22 HA ARG 4 HA ARG 4 -18.973 8.893 -7.621 23 HB2 ARG 4 HB3 ARG 4 -18.114 9.846 -10.374 24 HB3 ARG 4 HB2 ARG 4 -17.281 8.628 -9.409 25 HG2 ARG 4 HG3 ARG 4 -19.389 7.270 -9.405 26 HG3 ARG 4 HG2 ARG 4 -20.098 8.446 -10.513 27 HD2 ARG 4 HD3 ARG 4 -17.607 6.790 -11.023 28 HD3 ARG 4 HD2 ARG 4 -19.184 6.554 -11.780 29 HE ARG 4 HE ARG 4 -18.012 9.225 -12.164 30 HH11 ARG 4 HH21 ARG 4 -18.450 5.994 -13.278 31 HH12 ARG 4 HH22 ARG 4 -18.107 6.373 -14.930 32 HH21 ARG 4 HH11 ARG 4 -17.558 9.743 -14.324 33 HH22 ARG 4 HH12 ARG 4 -17.606 8.496 -15.523 34 H THR 5 H THR 5 -19.274 12.139 -7.924 35 HA THR 5 HA THR 5 -16.500 12.945 -7.570 36 HB THR 5 HB THR 5 -18.508 14.344 -8.476 37 HG1 THR 5 HG1 THR 5 -16.971 15.626 -6.496 38 HG21 THR 5 HG21 THR 5 -18.807 15.283 -5.665 39 HG22 THR 5 HG22 THR 5 -19.640 13.793 -6.104 40 HG23 THR 5 HG23 THR 5 -19.980 15.284 -6.981 41 H ALA 6 H ALA 6 -18.552 11.263 -5.644 42 HA ALA 6 HA ALA 6 -17.682 12.569 -3.117 43 HB1 ALA 6 HB1 ALA 6 -19.708 10.367 -3.620 44 HB2 ALA 6 HB2 ALA 6 -20.078 12.061 -3.287 45 HB3 ALA 6 HB3 ALA 6 -19.334 11.056 -2.039 46 H ALA 7 H ALA 7 -15.909 10.927 -4.892 47 HA ALA 7 HA ALA 7 -15.493 8.322 -3.880 48 HB1 ALA 7 HB1 ALA 7 -14.071 10.180 -5.539 49 HB2 ALA 7 HB2 ALA 7 -13.872 8.432 -5.436 50 HB3 ALA 7 HB3 ALA 7 -12.941 9.489 -4.373 51 H ASP 8 H ASP 8 -14.391 7.526 -2.102 52 HA ASP 8 HA ASP 8 -13.582 9.545 -0.051 53 HB2 ASP 8 HB3 ASP 8 -14.547 6.683 0.223 54 HB3 ASP 8 HB2 ASP 8 -13.911 7.634 1.565 55 H MET 9 H MET 9 -12.132 8.035 -2.393 56 HA MET 9 HA MET 9 -10.180 6.346 -1.164 57 HB2 MET 9 HB3 MET 9 -10.067 7.940 -3.737 58 HB3 MET 9 HB2 MET 9 -8.874 6.733 -3.270 59 HG2 MET 9 HG3 MET 9 -11.822 6.281 -3.798 60 HG3 MET 9 HG2 MET 9 -10.464 5.652 -4.731 61 HE1 MET 9 HE1 MET 9 -8.661 3.369 -2.195 62 HE2 MET 9 HE2 MET 9 -8.575 5.089 -1.827 63 HE3 MET 9 HE3 MET 9 -8.494 4.549 -3.504 64 H GLU 10 H GLU 10 -10.651 9.288 -0.193 65 HA GLU 10 HA GLU 10 -8.028 10.493 -0.521 66 HB2 GLU 10 HB3 GLU 10 -10.096 11.820 -0.040 67 HB3 GLU 10 HB2 GLU 10 -10.127 11.110 1.574 68 HG2 GLU 10 HG3 GLU 10 -7.830 11.996 1.972 69 HG3 GLU 10 HG2 GLU 10 -7.892 12.787 0.397 70 H HIS 11 H HIS 11 -9.454 8.208 1.676 71 HA HIS 11 HA HIS 11 -7.120 8.469 3.501 72 HB2 HIS 11 HB3 HIS 11 -9.721 6.934 3.808 73 HB3 HIS 11 HB2 HIS 11 -8.445 7.017 5.021 74 HD1 HIS 11 HD1 HIS 11 -11.194 9.028 3.468 75 HD2 HIS 11 HD2 HIS 11 -8.201 9.562 6.328 76 HE1 HIS 11 HE1 HIS 11 -11.737 11.185 4.683 77 HE2 HIS 11 HE2 HIS 11 -9.917 11.526 6.416 78 H CYS 12 H CYS 12 -5.483 7.070 3.214 79 HA CYS 12 HA CYS 12 -5.871 4.722 1.468 80 HB2 CYS 12 HB3 CYS 12 -3.343 5.646 2.854 81 HB3 CYS 12 HB2 CYS 12 -3.463 4.539 1.486 82 H ALA 13 H ALA 13 -5.965 2.648 2.224 83 HA ALA 13 HA ALA 13 -5.263 2.178 5.083 84 HB1 ALA 13 HB1 ALA 13 -7.812 2.523 4.489 85 HB2 ALA 13 HB2 ALA 13 -7.323 1.240 5.599 86 HB3 ALA 13 HB3 ALA 13 -7.685 0.859 3.916 87 H ASP 14 H ASP 14 -4.590 0.019 5.531 88 HA ASP 14 HA ASP 14 -3.363 -1.353 3.301 89 HB2 ASP 14 HB3 ASP 14 -3.794 -2.211 6.177 90 HB3 ASP 14 HB2 ASP 14 -2.815 -3.098 5.010 91 H GLU 15 H GLU 15 -4.081 -3.183 2.214 92 HA GLU 15 HA GLU 15 -6.883 -3.703 2.099 93 HB2 GLU 15 HB3 GLU 15 -4.433 -4.862 0.939 94 HB3 GLU 15 HB2 GLU 15 -5.761 -6.002 1.118 95 HG2 GLU 15 HG3 GLU 15 -5.707 -4.707 -1.079 96 HG3 GLU 15 HG2 GLU 15 -7.230 -4.655 -0.197 97 H LYS 16 H LYS 16 -8.154 -5.208 3.141 98 HA LYS 16 HA LYS 16 -7.040 -6.430 5.566 99 HB2 LYS 16 HB3 LYS 16 -9.343 -6.974 6.098 100 HB3 LYS 16 HB2 LYS 16 -9.279 -5.312 5.506 101 HG2 LYS 16 HG3 LYS 16 -9.896 -6.146 3.230 102 HG3 LYS 16 HG2 LYS 16 -10.096 -7.759 3.915 103 HD2 LYS 16 HD3 LYS 16 -11.723 -6.737 5.571 104 HD3 LYS 16 HD2 LYS 16 -11.656 -5.262 4.609 105 HE2 LYS 16 HE3 LYS 16 -12.715 -7.974 3.823 106 HE3 LYS 16 HE2 LYS 16 -13.524 -6.409 3.741 107 HZ1 LYS 16 HZ1 LYS 16 -12.630 -7.384 1.586 108 HZ2 LYS 16 HZ2 LYS 16 -11.088 -6.969 2.165 109 HZ3 LYS 16 HZ3 LYS 16 -12.258 -5.763 1.915 110 H ASN 17 H ASN 17 -7.956 -7.425 2.350 111 HA ASN 17 HA ASN 17 -7.903 -10.289 3.087 112 HB2 ASN 17 HB3 ASN 17 -8.304 -8.924 0.405 113 HB3 ASN 17 HB2 ASN 17 -8.511 -10.649 0.722 114 HD21 ASN 17 HD21 ASN 17 -10.365 -8.000 0.269 115 HD22 ASN 17 HD22 ASN 17 -11.650 -8.331 1.332 116 H PHE 18 H PHE 18 -5.588 -8.014 2.520 117 HA PHE 18 HA PHE 18 -3.789 -9.974 1.141 118 HB2 PHE 18 HB3 PHE 18 -4.165 -7.763 -0.021 119 HB3 PHE 18 HB2 PHE 18 -3.404 -6.975 1.365 120 HD1 PHE 18 HD2 PHE 18 -2.859 -9.176 -1.542 121 HD2 PHE 18 HD1 PHE 18 -1.022 -7.246 1.828 122 HE1 PHE 18 HE2 PHE 18 -0.615 -9.657 -2.487 123 HE2 PHE 18 HE1 PHE 18 1.216 -7.723 0.884 124 HZ PHE 18 HZ PHE 18 1.423 -8.927 -1.273 125 H ASP 19 H ASP 19 -2.070 -10.725 2.310 126 HA ASP 19 HA ASP 19 -1.768 -9.861 5.092 127 HB2 ASP 19 HB3 ASP 19 -0.194 -11.854 3.425 128 HB3 ASP 19 HB2 ASP 19 0.017 -11.602 5.158 129 H CYS 20 H CYS 20 -1.107 -7.655 4.757 130 HA CYS 20 HA CYS 20 1.200 -6.952 3.171 131 HB2 CYS 20 HB3 CYS 20 0.082 -5.410 5.526 132 HB3 CYS 20 HB2 CYS 20 0.966 -4.773 4.137 133 H ARG 21 H ARG 21 0.712 -7.831 6.547 134 HA ARG 21 HA ARG 21 3.243 -7.078 7.583 135 HB2 ARG 21 HB3 ARG 21 1.149 -8.027 8.785 136 HB3 ARG 21 HB2 ARG 21 1.799 -9.609 8.365 137 HG2 ARG 21 HG3 ARG 21 3.512 -7.558 9.760 138 HG3 ARG 21 HG2 ARG 21 2.432 -8.609 10.673 139 HD2 ARG 21 HD3 ARG 21 3.527 -10.572 9.471 140 HD3 ARG 21 HD2 ARG 21 4.740 -9.428 8.904 141 HE ARG 21 HE ARG 21 4.589 -10.518 11.569 142 HH11 ARG 21 HH21 ARG 21 5.320 -7.710 9.701 143 HH12 ARG 21 HH22 ARG 21 6.424 -7.063 10.867 144 HH21 ARG 21 HH11 ARG 21 6.024 -9.683 13.101 145 HH22 ARG 21 HH12 ARG 21 6.825 -8.177 12.787 146 H ARG 22 H ARG 22 2.174 -10.041 5.951 147 HA ARG 22 HA ARG 22 4.704 -11.401 6.135 148 HB2 ARG 22 HB3 ARG 22 3.020 -12.894 5.632 149 HB3 ARG 22 HB2 ARG 22 2.163 -11.743 4.611 150 HG2 ARG 22 HG3 ARG 22 3.686 -12.059 2.805 151 HG3 ARG 22 HG2 ARG 22 4.821 -12.936 3.831 152 HD2 ARG 22 HD3 ARG 22 3.291 -14.794 4.049 153 HD3 ARG 22 HD2 ARG 22 2.016 -13.898 3.219 154 HE ARG 22 HE ARG 22 4.141 -15.368 1.934 155 HH11 ARG 22 HH21 ARG 22 2.236 -12.493 1.790 156 HH12 ARG 22 HH22 ARG 22 2.340 -12.355 0.067 157 HH21 ARG 22 HH11 ARG 22 4.277 -15.203 -0.314 158 HH22 ARG 22 HH12 ARG 22 3.491 -13.888 -1.124 159 H SER 23 H SER 23 3.149 -9.512 3.545 160 HA SER 23 HA SER 23 5.368 -9.723 1.729 161 HB2 SER 23 HB3 SER 23 4.231 -8.019 0.453 162 HB3 SER 23 HB2 SER 23 2.996 -9.068 1.131 163 HG SER 23 HG SER 23 2.972 -6.566 1.350 164 H LEU 24 H LEU 24 4.512 -7.461 4.304 165 HA LEU 24 HA LEU 24 6.498 -5.474 3.713 166 HB2 LEU 24 HB3 LEU 24 4.612 -5.030 5.219 167 HB3 LEU 24 HB2 LEU 24 5.220 -6.225 6.359 168 HG LEU 24 HG LEU 24 7.383 -4.859 6.431 169 HD11 LEU 24 HD11 LEU 24 6.724 -2.343 5.899 170 HD12 LEU 24 HD12 LEU 24 5.632 -3.111 4.749 171 HD13 LEU 24 HD13 LEU 24 7.366 -3.396 4.639 172 HD21 LEU 24 HD21 LEU 24 4.737 -4.196 7.584 173 HD22 LEU 24 HD22 LEU 24 5.952 -2.923 7.707 174 HD23 LEU 24 HD23 LEU 24 6.271 -4.518 8.391 175 H ARG 25 H ARG 25 6.531 -8.217 6.014 176 HA ARG 25 HA ARG 25 9.247 -7.731 6.856 177 HB2 ARG 25 HB3 ARG 25 9.101 -9.890 7.955 178 HB3 ARG 25 HB2 ARG 25 7.562 -9.052 8.168 179 HG2 ARG 25 HG3 ARG 25 6.686 -10.293 6.171 180 HG3 ARG 25 HG2 ARG 25 8.182 -11.229 6.153 181 HD2 ARG 25 HD3 ARG 25 7.701 -11.889 8.538 182 HD3 ARG 25 HD2 ARG 25 6.127 -11.109 8.377 183 HE ARG 25 HE ARG 25 6.622 -13.048 6.267 184 HH11 ARG 25 HH21 ARG 25 5.642 -12.557 9.538 185 HH12 ARG 25 HH22 ARG 25 4.641 -13.970 9.587 186 HH21 ARG 25 HH11 ARG 25 5.320 -14.884 6.310 187 HH22 ARG 25 HH12 ARG 25 4.453 -15.286 7.755 188 H ASN 26 H ASN 26 7.811 -9.322 4.142 189 HA ASN 26 HA ASN 26 10.171 -10.911 3.463 190 HB2 ASN 26 HB3 ASN 26 7.675 -10.165 1.910 191 HB3 ASN 26 HB2 ASN 26 8.925 -11.255 1.306 192 HD21 ASN 26 HD21 ASN 26 6.203 -12.114 1.793 193 HD22 ASN 26 HD22 ASN 26 6.239 -13.247 3.053 194 H GLY 27 H GLY 27 9.559 -7.662 3.404 195 HA2 GLY 27 HA3 GLY 27 10.922 -5.949 2.485 196 HA3 GLY 27 HA2 GLY 27 11.768 -7.178 1.537 197 H ASP 28 H ASP 28 8.300 -7.139 1.495 198 HA ASP 28 HA ASP 28 8.157 -6.942 -1.341 199 HB2 ASP 28 HB3 ASP 28 6.380 -7.901 0.127 200 HB3 ASP 28 HB2 ASP 28 5.977 -6.264 0.652 201 H CYS 29 H CYS 29 7.860 -4.477 1.198 202 HA CYS 29 HA CYS 29 7.106 -2.335 -0.581 203 HB2 CYS 29 HB3 CYS 29 8.673 -2.047 1.996 204 HB3 CYS 29 HB2 CYS 29 7.598 -0.866 1.253 205 H ASP 30 H ASP 30 10.043 -3.995 0.034 206 HA ASP 30 HA ASP 30 11.706 -1.809 -1.083 207 HB2 ASP 30 HB3 ASP 30 12.406 -4.508 0.101 208 HB3 ASP 30 HB2 ASP 30 13.596 -3.365 -0.530 209 H ASN 31 H ASN 31 9.830 -4.211 -2.335 210 HA ASN 31 HA ASN 31 11.788 -4.924 -4.458 211 HB2 ASN 31 HB3 ASN 31 10.455 -6.700 -3.242 212 HB3 ASN 31 HB2 ASN 31 9.017 -6.052 -4.026 213 HD21 ASN 31 HD21 ASN 31 9.619 -8.647 -4.645 214 HD22 ASN 31 HD22 ASN 31 10.267 -8.767 -6.211 215 H ASP 32 H ASP 32 11.763 -3.604 -6.185 216 HA ASP 32 HA ASP 32 9.781 -1.682 -6.796 217 HB2 ASP 32 HB3 ASP 32 11.773 -3.085 -8.600 218 HB3 ASP 32 HB2 ASP 32 10.801 -1.699 -9.104 219 H ASP 33 H ASP 33 10.082 -5.053 -7.711 220 HA ASP 33 HA ASP 33 8.010 -5.061 -9.699 221 HB2 ASP 33 HB3 ASP 33 9.763 -6.852 -9.363 222 HB3 ASP 33 HB2 ASP 33 8.864 -7.370 -7.937 223 H LYS 34 H LYS 34 7.965 -5.096 -6.211 224 HA LYS 34 HA LYS 34 5.041 -5.724 -6.304 225 HB2 LYS 34 HB3 LYS 34 6.819 -5.802 -3.863 226 HB3 LYS 34 HB2 LYS 34 5.208 -6.494 -4.053 227 HG2 LYS 34 HG3 LYS 34 6.198 -7.943 -5.910 228 HG3 LYS 34 HG2 LYS 34 7.782 -7.411 -5.344 229 HD2 LYS 34 HD3 LYS 34 7.195 -8.232 -3.056 230 HD3 LYS 34 HD2 LYS 34 5.691 -8.874 -3.712 231 HE2 LYS 34 HE3 LYS 34 6.751 -10.567 -4.867 232 HE3 LYS 34 HE2 LYS 34 8.229 -9.631 -5.090 233 HZ1 LYS 34 HZ1 LYS 34 7.439 -10.426 -2.377 234 HZ2 LYS 34 HZ2 LYS 34 8.991 -10.158 -3.015 235 HZ3 LYS 34 HZ3 LYS 34 8.149 -11.584 -3.393 236 H LEU 35 H LEU 35 7.101 -3.143 -6.145 237 HA LEU 35 HA LEU 35 6.145 -1.575 -3.998 238 HB2 LEU 35 HB3 LEU 35 7.301 -0.974 -6.692 239 HB3 LEU 35 HB2 LEU 35 6.586 0.352 -5.776 240 HG LEU 35 HG LEU 35 8.747 -1.516 -4.744 241 HD11 LEU 35 HD11 LEU 35 9.185 1.401 -5.136 242 HD12 LEU 35 HD12 LEU 35 9.120 0.412 -6.595 243 HD13 LEU 35 HD13 LEU 35 10.308 0.058 -5.341 244 HD21 LEU 35 HD21 LEU 35 8.698 0.762 -3.185 245 HD22 LEU 35 HD22 LEU 35 7.950 -0.773 -2.747 246 HD23 LEU 35 HD23 LEU 35 6.986 0.492 -3.508 247 H LEU 36 H LEU 36 4.851 -1.938 -7.303 248 HA LEU 36 HA LEU 36 2.662 -0.102 -6.951 249 HB2 LEU 36 HB3 LEU 36 3.453 -0.926 -9.177 250 HB3 LEU 36 HB2 LEU 36 2.806 -2.517 -8.786 251 HG LEU 36 HG LEU 36 0.912 -0.271 -8.419 252 HD11 LEU 36 HD11 LEU 36 0.433 -0.299 -10.926 253 HD12 LEU 36 HD12 LEU 36 2.013 -1.056 -11.126 254 HD13 LEU 36 HD13 LEU 36 1.890 0.562 -10.436 255 HD21 LEU 36 HD21 LEU 36 0.246 -2.626 -8.155 256 HD22 LEU 36 HD22 LEU 36 0.786 -2.977 -9.797 257 HD23 LEU 36 HD23 LEU 36 -0.595 -1.913 -9.531 258 H GLU 37 H GLU 37 3.036 -3.576 -6.404 259 HA GLU 37 HA GLU 37 0.308 -4.171 -5.842 260 HB2 GLU 37 HB3 GLU 37 2.824 -5.406 -4.678 261 HB3 GLU 37 HB2 GLU 37 1.219 -6.131 -4.641 262 HG2 GLU 37 HG3 GLU 37 1.179 -6.053 -7.142 263 HG3 GLU 37 HG2 GLU 37 2.842 -5.467 -7.110 264 H MET 38 H MET 38 2.945 -2.997 -3.798 265 HA MET 38 HA MET 38 1.425 -3.073 -1.341 266 HB2 MET 38 HB3 MET 38 3.911 -1.570 -2.185 267 HB3 MET 38 HB2 MET 38 3.273 -1.564 -0.537 268 HG2 MET 38 HG3 MET 38 4.024 -4.059 -2.085 269 HG3 MET 38 HG2 MET 38 5.059 -3.287 -0.884 270 HE1 MET 38 HE1 MET 38 1.405 -5.873 -0.432 271 HE2 MET 38 HE2 MET 38 2.955 -6.409 -1.072 272 HE3 MET 38 HE3 MET 38 2.083 -5.105 -1.874 273 H GLY 39 H GLY 39 2.257 -0.454 -3.627 274 HA2 GLY 39 HA3 GLY 39 0.946 1.654 -2.274 275 HA3 GLY 39 HA2 GLY 39 1.146 1.578 -4.025 276 H TYR 40 H TYR 40 -0.275 -1.006 -4.154 277 HA TYR 40 HA TYR 40 -3.021 0.089 -4.180 278 HB2 TYR 40 HB3 TYR 40 -2.250 -0.950 -6.225 279 HB3 TYR 40 HB2 TYR 40 -1.784 -2.411 -5.353 280 HD1 TYR 40 HD1 TYR 40 -3.475 -3.936 -4.446 281 HD2 TYR 40 HD2 TYR 40 -4.576 -0.469 -6.722 282 HE1 TYR 40 HE1 TYR 40 -5.758 -4.857 -4.732 283 HE2 TYR 40 HE2 TYR 40 -6.861 -1.386 -7.011 284 HH TYR 40 HH TYR 40 -7.840 -4.410 -5.424 285 H TYR 41 H TYR 41 -1.464 -2.986 -3.164 286 HA TYR 41 HA TYR 41 -3.795 -3.767 -1.629 287 HB2 TYR 41 HB3 TYR 41 -0.998 -4.891 -1.849 288 HB3 TYR 41 HB2 TYR 41 -2.223 -5.594 -0.796 289 HD1 TYR 41 HD1 TYR 41 -4.455 -6.297 -1.833 290 HD2 TYR 41 HD2 TYR 41 -0.969 -5.396 -4.175 291 HE1 TYR 41 HE1 TYR 41 -5.432 -7.515 -3.756 292 HE2 TYR 41 HE2 TYR 41 -1.946 -6.620 -6.099 293 HH TYR 41 HH TYR 41 -4.198 -7.284 -6.905 294 H CYS 42 H CYS 42 -0.550 -2.535 -0.736 295 HA CYS 42 HA CYS 42 -1.760 -1.779 1.868 296 HB2 CYS 42 HB3 CYS 42 0.991 -2.966 1.806 297 HB3 CYS 42 HB2 CYS 42 -0.134 -2.819 3.159 298 HA PRO 43 HA PRO 43 0.829 1.606 -0.030 299 HB2 PRO 43 HB3 PRO 43 -1.034 3.573 0.442 300 HB3 PRO 43 HB2 PRO 43 -0.967 2.622 -1.053 301 HG2 PRO 43 HG3 PRO 43 -2.736 2.297 1.319 302 HG3 PRO 43 HG2 PRO 43 -3.118 2.129 -0.402 303 HD2 PRO 43 HD3 PRO 43 -2.719 -0.025 1.204 304 HD3 PRO 43 HD2 PRO 43 -2.280 -0.037 -0.518 305 H VAL 44 H VAL 44 -1.133 1.430 2.904 306 HA VAL 44 HA VAL 44 0.411 3.490 4.290 307 HB VAL 44 HB VAL 44 -1.598 1.466 5.322 308 HG11 VAL 44 HG11 VAL 44 -1.631 3.557 7.064 309 HG12 VAL 44 HG12 VAL 44 0.078 3.523 6.624 310 HG13 VAL 44 HG13 VAL 44 -0.685 2.088 7.313 311 HG21 VAL 44 HG21 VAL 44 -2.345 3.233 3.615 312 HG22 VAL 44 HG22 VAL 44 -1.987 4.425 4.865 313 HG23 VAL 44 HG23 VAL 44 -3.220 3.196 5.146 314 H THR 45 H THR 45 0.189 -0.065 4.372 315 HA THR 45 HA THR 45 1.987 -0.540 6.507 316 HB THR 45 HB THR 45 1.645 -2.238 4.024 317 HG1 THR 45 HG1 THR 45 0.313 -2.846 6.359 318 HG21 THR 45 HG21 THR 45 2.813 -2.675 6.752 319 HG22 THR 45 HG22 THR 45 3.448 -3.149 5.177 320 HG23 THR 45 HG23 THR 45 2.092 -4.029 5.880 321 H CYS 46 H CYS 46 2.661 -0.002 3.049 322 HA CYS 46 HA CYS 46 5.535 -0.429 3.519 323 HB2 CYS 46 HB3 CYS 46 3.919 0.284 1.071 324 HB3 CYS 46 HB2 CYS 46 5.683 0.235 1.065 325 H GLY 47 H GLY 47 3.420 2.176 3.890 326 HA2 GLY 47 HA3 GLY 47 4.036 4.324 4.689 327 HA3 GLY 47 HA2 GLY 47 5.708 3.965 4.275 328 H PHE 48 H PHE 48 2.982 3.782 1.976 329 HA PHE 48 HA PHE 48 4.349 5.965 0.451 330 HB2 PHE 48 HB3 PHE 48 2.215 4.032 -0.505 331 HB3 PHE 48 HB2 PHE 48 3.124 5.169 -1.500 332 HD1 PHE 48 HD2 PHE 48 5.847 4.953 -0.856 333 HD2 PHE 48 HD1 PHE 48 2.886 1.851 -0.793 334 HE1 PHE 48 HE2 PHE 48 7.627 3.250 -1.150 335 HE2 PHE 48 HE1 PHE 48 4.656 0.152 -1.089 336 HZ PHE 48 HZ PHE 48 7.028 0.846 -1.269 337 H CYS 49 H CYS 49 1.683 5.186 2.376 338 HA CYS 49 HA CYS 49 0.526 7.859 1.922 339 HB2 CYS 49 HB3 CYS 49 -0.601 6.012 0.428 340 HB3 CYS 49 HB2 CYS 49 -1.368 5.534 1.940 341 H GLU 50 H GLU 50 -1.418 8.068 3.585 342 HA GLU 50 HA GLU 50 -0.406 6.950 6.160 343 HB2 GLU 50 HB3 GLU 50 -1.619 9.516 5.323 344 HB3 GLU 50 HB2 GLU 50 -2.186 8.895 6.872 345 HG2 GLU 50 HG3 GLU 50 -0.017 8.903 7.807 346 HG3 GLU 50 HG2 GLU 50 0.758 8.984 6.226 347 HA PRO 51 HA PRO 51 -4.103 4.589 6.710 348 HB2 PRO 51 HB3 PRO 51 -4.493 4.761 9.412 349 HB3 PRO 51 HB2 PRO 51 -3.205 3.787 8.675 350 HG2 PRO 51 HG3 PRO 51 -3.057 6.451 9.975 351 HG3 PRO 51 HG2 PRO 51 -1.896 5.116 9.994 352 HD2 PRO 51 HD3 PRO 51 -1.625 7.363 8.411 353 HD3 PRO 51 HD2 PRO 51 -0.892 5.789 8.033 Start of MODEL 20 1 HA ASN 1 HA ASN 1 -8.913 23.257 -8.594 2 HB2 ASN 1 HB3 ASN 1 -8.606 25.619 -7.908 3 HB3 ASN 1 HB2 ASN 1 -10.254 25.974 -8.421 4 HD21 ASN 1 HD21 ASN 1 -8.362 24.044 -6.074 5 HD22 ASN 1 HD22 ASN 1 -9.631 23.856 -4.965 6 H ASP 2 H ASP 2 -10.277 21.794 -9.988 7 HA ASP 2 HA ASP 2 -13.037 22.375 -10.503 8 HB2 ASP 2 HB3 ASP 2 -11.566 19.744 -10.183 9 HB3 ASP 2 HB2 ASP 2 -13.242 19.870 -10.715 10 H ILE 3 H ILE 3 -14.898 21.782 -9.304 11 HA ILE 3 HA ILE 3 -14.576 21.852 -6.421 12 HB ILE 3 HB ILE 3 -17.044 21.281 -8.095 13 HG12 ILE 3 HG13 ILE 3 -16.033 23.870 -6.867 14 HG13 ILE 3 HG12 ILE 3 -15.953 23.469 -8.580 15 HG21 ILE 3 HG21 ILE 3 -17.759 22.530 -5.702 16 HG22 ILE 3 HG22 ILE 3 -16.529 21.362 -5.223 17 HG23 ILE 3 HG23 ILE 3 -17.969 20.820 -6.085 18 HD11 ILE 3 HD11 ILE 3 -18.580 23.003 -8.126 19 HD12 ILE 3 HD12 ILE 3 -17.957 24.570 -8.641 20 HD13 ILE 3 HD13 ILE 3 -18.288 24.270 -6.936 21 H ARG 4 H ARG 4 -14.201 19.377 -8.604 22 HA ARG 4 HA ARG 4 -15.501 17.243 -7.091 23 HB2 ARG 4 HB3 ARG 4 -13.403 17.134 -9.283 24 HB3 ARG 4 HB2 ARG 4 -14.277 15.741 -8.643 25 HG2 ARG 4 HG3 ARG 4 -16.421 16.838 -9.313 26 HG3 ARG 4 HG2 ARG 4 -15.485 18.129 -10.065 27 HD2 ARG 4 HD3 ARG 4 -15.388 15.187 -10.802 28 HD3 ARG 4 HD2 ARG 4 -16.104 16.480 -11.761 29 HE ARG 4 HE ARG 4 -13.330 17.048 -11.196 30 HH11 ARG 4 HH21 ARG 4 -15.476 15.129 -13.099 31 HH12 ARG 4 HH22 ARG 4 -14.361 14.949 -14.414 32 HH21 ARG 4 HH11 ARG 4 -11.867 16.821 -12.907 33 HH22 ARG 4 HH12 ARG 4 -12.322 15.903 -14.304 34 H THR 5 H THR 5 -13.051 19.143 -6.235 35 HA THR 5 HA THR 5 -11.021 17.220 -5.467 36 HB THR 5 HB THR 5 -10.830 19.801 -5.817 37 HG1 THR 5 HG1 THR 5 -9.480 19.336 -3.537 38 HG21 THR 5 HG21 THR 5 -12.670 20.039 -3.950 39 HG22 THR 5 HG22 THR 5 -11.336 21.193 -4.020 40 HG23 THR 5 HG23 THR 5 -11.297 19.870 -2.854 41 H ALA 6 H ALA 6 -14.086 17.551 -4.418 42 HA ALA 6 HA ALA 6 -13.722 17.470 -1.540 43 HB1 ALA 6 HB1 ALA 6 -16.088 16.552 -3.201 44 HB2 ALA 6 HB2 ALA 6 -15.831 18.210 -2.662 45 HB3 ALA 6 HB3 ALA 6 -16.101 16.931 -1.478 46 H ALA 7 H ALA 7 -12.826 15.304 -3.840 47 HA ALA 7 HA ALA 7 -13.832 12.808 -2.926 48 HB1 ALA 7 HB1 ALA 7 -11.299 12.196 -3.783 49 HB2 ALA 7 HB2 ALA 7 -11.584 13.735 -4.591 50 HB3 ALA 7 HB3 ALA 7 -12.692 12.387 -4.844 51 H ASP 8 H ASP 8 -13.121 11.385 -1.322 52 HA ASP 8 HA ASP 8 -11.191 12.542 0.637 53 HB2 ASP 8 HB3 ASP 8 -12.249 11.107 2.306 54 HB3 ASP 8 HB2 ASP 8 -13.486 12.058 1.483 55 H MET 9 H MET 9 -10.878 10.770 -1.906 56 HA MET 9 HA MET 9 -9.887 8.234 -1.031 57 HB2 MET 9 HB3 MET 9 -9.232 9.881 -3.489 58 HB3 MET 9 HB2 MET 9 -8.736 8.206 -3.265 59 HG2 MET 9 HG3 MET 9 -11.565 9.282 -3.436 60 HG3 MET 9 HG2 MET 9 -10.775 8.172 -4.556 61 HE1 MET 9 HE1 MET 9 -10.116 5.066 -2.379 62 HE2 MET 9 HE2 MET 9 -9.175 6.480 -1.916 63 HE3 MET 9 HE3 MET 9 -9.490 6.156 -3.619 64 H GLU 10 H GLU 10 -8.854 10.932 0.140 65 HA GLU 10 HA GLU 10 -5.986 10.811 -0.350 66 HB2 GLU 10 HB3 GLU 10 -7.160 12.913 0.260 67 HB3 GLU 10 HB2 GLU 10 -7.555 12.212 1.830 68 HG2 GLU 10 HG3 GLU 10 -5.580 13.598 2.078 69 HG3 GLU 10 HG2 GLU 10 -5.110 11.911 2.258 70 H HIS 11 H HIS 11 -8.212 9.183 1.706 71 HA HIS 11 HA HIS 11 -6.044 8.387 3.576 72 HB2 HIS 11 HB3 HIS 11 -9.037 7.893 3.676 73 HB3 HIS 11 HB2 HIS 11 -7.887 7.394 4.913 74 HD1 HIS 11 HD1 HIS 11 -9.724 10.358 3.609 75 HD2 HIS 11 HD2 HIS 11 -6.715 9.589 6.396 76 HE1 HIS 11 HE1 HIS 11 -9.464 12.470 4.988 77 HE2 HIS 11 HE2 HIS 11 -7.635 12.009 6.690 78 H CYS 12 H CYS 12 -5.044 6.497 3.240 79 HA CYS 12 HA CYS 12 -6.370 4.495 1.462 80 HB2 CYS 12 HB3 CYS 12 -3.430 4.518 2.135 81 HB3 CYS 12 HB2 CYS 12 -4.235 3.792 0.746 82 H ALA 13 H ALA 13 -6.153 2.236 2.117 83 HA ALA 13 HA ALA 13 -5.384 1.857 4.971 84 HB1 ALA 13 HB1 ALA 13 -7.821 0.462 3.935 85 HB2 ALA 13 HB2 ALA 13 -7.958 2.158 4.400 86 HB3 ALA 13 HB3 ALA 13 -7.431 0.960 5.582 87 H ASP 14 H ASP 14 -4.723 -0.310 5.481 88 HA ASP 14 HA ASP 14 -3.438 -1.701 3.302 89 HB2 ASP 14 HB3 ASP 14 -3.952 -2.532 6.174 90 HB3 ASP 14 HB2 ASP 14 -2.940 -3.435 5.049 91 H GLU 15 H GLU 15 -4.123 -3.509 2.176 92 HA GLU 15 HA GLU 15 -6.922 -4.047 2.011 93 HB2 GLU 15 HB3 GLU 15 -4.440 -5.126 0.844 94 HB3 GLU 15 HB2 GLU 15 -5.740 -6.310 0.983 95 HG2 GLU 15 HG3 GLU 15 -5.698 -4.954 -1.183 96 HG3 GLU 15 HG2 GLU 15 -7.231 -4.979 -0.318 97 H LYS 16 H LYS 16 -8.195 -5.590 3.025 98 HA LYS 16 HA LYS 16 -7.083 -6.841 5.434 99 HB2 LYS 16 HB3 LYS 16 -9.369 -7.480 5.918 100 HB3 LYS 16 HB2 LYS 16 -9.384 -5.816 5.332 101 HG2 LYS 16 HG3 LYS 16 -9.885 -6.691 3.034 102 HG3 LYS 16 HG2 LYS 16 -10.023 -8.306 3.728 103 HD2 LYS 16 HD3 LYS 16 -11.772 -7.394 5.295 104 HD3 LYS 16 HD2 LYS 16 -11.731 -5.894 4.366 105 HE2 LYS 16 HE3 LYS 16 -11.955 -8.133 2.564 106 HE3 LYS 16 HE2 LYS 16 -13.220 -8.235 3.789 107 HZ1 LYS 16 HZ1 LYS 16 -13.034 -5.571 3.024 108 HZ2 LYS 16 HZ2 LYS 16 -14.302 -6.659 2.707 109 HZ3 LYS 16 HZ3 LYS 16 -13.033 -6.481 1.592 110 H ASN 17 H ASN 17 -8.012 -7.807 2.202 111 HA ASN 17 HA ASN 17 -7.843 -10.676 2.837 112 HB2 ASN 17 HB3 ASN 17 -8.154 -9.223 0.190 113 HB3 ASN 17 HB2 ASN 17 -8.304 -10.966 0.422 114 HD21 ASN 17 HD21 ASN 17 -10.217 -8.323 0.027 115 HD22 ASN 17 HD22 ASN 17 -11.555 -8.776 0.968 116 H PHE 18 H PHE 18 -5.607 -8.274 2.363 117 HA PHE 18 HA PHE 18 -3.681 -10.154 1.057 118 HB2 PHE 18 HB3 PHE 18 -4.151 -7.960 -0.111 119 HB3 PHE 18 HB2 PHE 18 -3.439 -7.143 1.281 120 HD1 PHE 18 HD1 PHE 18 -1.048 -7.413 1.817 121 HD2 PHE 18 HD2 PHE 18 -2.788 -9.216 -1.668 122 HE1 PHE 18 HE1 PHE 18 1.216 -7.793 0.885 123 HE2 PHE 18 HE2 PHE 18 -0.527 -9.604 -2.601 124 HZ PHE 18 HZ PHE 18 1.478 -8.892 -1.328 125 H ASP 19 H ASP 19 -1.993 -10.856 2.283 126 HA ASP 19 HA ASP 19 -1.781 -9.941 5.056 127 HB2 ASP 19 HB3 ASP 19 -0.129 -11.932 3.467 128 HB3 ASP 19 HB2 ASP 19 0.038 -11.641 5.198 129 H CYS 20 H CYS 20 -1.163 -7.732 4.681 130 HA CYS 20 HA CYS 20 1.166 -6.963 3.177 131 HB2 CYS 20 HB3 CYS 20 -0.049 -5.512 5.543 132 HB3 CYS 20 HB2 CYS 20 0.855 -4.806 4.199 133 H ARG 21 H ARG 21 0.605 -7.873 6.534 134 HA ARG 21 HA ARG 21 3.093 -7.107 7.643 135 HB2 ARG 21 HB3 ARG 21 0.984 -8.123 8.770 136 HB3 ARG 21 HB2 ARG 21 1.690 -9.683 8.351 137 HG2 ARG 21 HG3 ARG 21 3.302 -7.596 9.808 138 HG3 ARG 21 HG2 ARG 21 2.236 -8.694 10.683 139 HD2 ARG 21 HD3 ARG 21 3.425 -10.599 9.455 140 HD3 ARG 21 HD2 ARG 21 4.626 -9.402 8.974 141 HE ARG 21 HE ARG 21 4.656 -8.991 11.613 142 HH11 ARG 21 HH21 ARG 21 4.404 -11.913 9.803 143 HH12 ARG 21 HH22 ARG 21 5.174 -12.885 11.012 144 HH21 ARG 21 HH11 ARG 21 5.664 -10.239 13.198 145 HH22 ARG 21 HH12 ARG 21 5.891 -11.935 12.933 146 H ARG 22 H ARG 22 2.116 -10.047 5.922 147 HA ARG 22 HA ARG 22 4.673 -11.359 6.153 148 HB2 ARG 22 HB3 ARG 22 3.046 -12.890 5.609 149 HB3 ARG 22 HB2 ARG 22 2.160 -11.743 4.602 150 HG2 ARG 22 HG3 ARG 22 3.746 -11.968 2.812 151 HG3 ARG 22 HG2 ARG 22 4.839 -12.907 3.827 152 HD2 ARG 22 HD3 ARG 22 3.082 -14.666 4.016 153 HD3 ARG 22 HD2 ARG 22 2.077 -13.738 2.903 154 HE ARG 22 HE ARG 22 4.784 -14.454 1.949 155 HH11 ARG 22 HH21 ARG 22 1.390 -15.058 2.056 156 HH12 ARG 22 HH22 ARG 22 1.369 -15.943 0.568 157 HH21 ARG 22 HH11 ARG 22 4.770 -15.605 0.003 158 HH22 ARG 22 HH12 ARG 22 3.282 -16.255 -0.591 159 H SER 23 H SER 23 3.133 -9.477 3.548 160 HA SER 23 HA SER 23 5.375 -9.643 1.763 161 HB2 SER 23 HB3 SER 23 4.249 -7.927 0.496 162 HB3 SER 23 HB2 SER 23 3.013 -8.995 1.145 163 HG SER 23 HG SER 23 3.483 -6.355 1.629 164 H LEU 24 H LEU 24 4.505 -7.410 4.361 165 HA LEU 24 HA LEU 24 6.494 -5.432 3.750 166 HB2 LEU 24 HB3 LEU 24 4.601 -4.962 5.242 167 HB3 LEU 24 HB2 LEU 24 5.220 -6.133 6.408 168 HG LEU 24 HG LEU 24 7.366 -4.781 6.470 169 HD11 LEU 24 HD11 LEU 24 7.350 -3.467 4.536 170 HD12 LEU 24 HD12 LEU 24 6.853 -2.307 5.772 171 HD13 LEU 24 HD13 LEU 24 5.648 -3.045 4.720 172 HD21 LEU 24 HD21 LEU 24 4.701 -3.975 7.496 173 HD22 LEU 24 HD22 LEU 24 5.972 -2.763 7.618 174 HD23 LEU 24 HD23 LEU 24 6.184 -4.342 8.378 175 H ARG 25 H ARG 25 6.500 -8.158 6.068 176 HA ARG 25 HA ARG 25 9.205 -7.666 6.932 177 HB2 ARG 25 HB3 ARG 25 9.071 -9.856 7.986 178 HB3 ARG 25 HB2 ARG 25 7.543 -9.008 8.229 179 HG2 ARG 25 HG3 ARG 25 6.626 -10.201 6.232 180 HG3 ARG 25 HG2 ARG 25 8.118 -11.142 6.158 181 HD2 ARG 25 HD3 ARG 25 7.697 -11.890 8.513 182 HD3 ARG 25 HD2 ARG 25 6.145 -11.055 8.458 183 HE ARG 25 HE ARG 25 6.286 -12.810 6.221 184 HH11 ARG 25 HH21 ARG 25 6.129 -12.816 9.669 185 HH12 ARG 25 HH22 ARG 25 5.304 -14.338 9.758 186 HH21 ARG 25 HH11 ARG 25 5.220 -14.791 6.321 187 HH22 ARG 25 HH12 ARG 25 4.791 -15.455 7.864 188 H ASN 26 H ASN 26 7.809 -9.222 4.177 189 HA ASN 26 HA ASN 26 10.207 -10.764 3.503 190 HB2 ASN 26 HB3 ASN 26 7.689 -10.076 1.964 191 HB3 ASN 26 HB2 ASN 26 8.984 -11.075 1.308 192 HD21 ASN 26 HD21 ASN 26 6.213 -11.946 1.902 193 HD22 ASN 26 HD22 ASN 26 6.347 -13.191 3.047 194 H GLY 27 H GLY 27 9.544 -7.531 3.493 195 HA2 GLY 27 HA3 GLY 27 10.835 -5.769 2.585 196 HA3 GLY 27 HA2 GLY 27 11.756 -6.963 1.666 197 H ASP 28 H ASP 28 8.291 -7.056 1.516 198 HA ASP 28 HA ASP 28 8.225 -6.874 -1.319 199 HB2 ASP 28 HB3 ASP 28 6.417 -7.872 0.058 200 HB3 ASP 28 HB2 ASP 28 5.992 -6.263 0.643 201 H CYS 29 H CYS 29 7.744 -4.399 1.187 202 HA CYS 29 HA CYS 29 7.007 -2.282 -0.609 203 HB2 CYS 29 HB3 CYS 29 8.550 -1.971 1.979 204 HB3 CYS 29 HB2 CYS 29 7.483 -0.792 1.218 205 H ASP 30 H ASP 30 9.988 -3.877 0.072 206 HA ASP 30 HA ASP 30 11.589 -1.664 -1.081 207 HB2 ASP 30 HB3 ASP 30 12.355 -4.307 0.184 208 HB3 ASP 30 HB2 ASP 30 13.521 -3.171 -0.498 209 H ASN 31 H ASN 31 9.857 -4.278 -2.229 210 HA ASN 31 HA ASN 31 11.812 -4.930 -4.359 211 HB2 ASN 31 HB3 ASN 31 10.473 -6.736 -3.220 212 HB3 ASN 31 HB2 ASN 31 9.026 -6.035 -3.939 213 HD21 ASN 31 HD21 ASN 31 9.510 -8.596 -4.716 214 HD22 ASN 31 HD22 ASN 31 10.143 -8.660 -6.290 215 H ASP 32 H ASP 32 11.804 -3.632 -6.108 216 HA ASP 32 HA ASP 32 9.823 -1.700 -6.719 217 HB2 ASP 32 HB3 ASP 32 11.807 -3.085 -8.541 218 HB3 ASP 32 HB2 ASP 32 10.857 -1.674 -9.002 219 H ASP 33 H ASP 33 10.127 -5.080 -7.640 220 HA ASP 33 HA ASP 33 8.083 -5.057 -9.660 221 HB2 ASP 33 HB3 ASP 33 9.736 -6.896 -9.414 222 HB3 ASP 33 HB2 ASP 33 8.964 -7.362 -7.898 223 H LYS 34 H LYS 34 7.985 -5.210 -6.164 224 HA LYS 34 HA LYS 34 5.053 -5.757 -6.308 225 HB2 LYS 34 HB3 LYS 34 6.795 -5.792 -3.839 226 HB3 LYS 34 HB2 LYS 34 5.175 -6.461 -4.027 227 HG2 LYS 34 HG3 LYS 34 6.204 -7.948 -5.871 228 HG3 LYS 34 HG2 LYS 34 7.764 -7.468 -5.199 229 HD2 LYS 34 HD3 LYS 34 6.967 -8.234 -2.950 230 HD3 LYS 34 HD2 LYS 34 5.517 -8.866 -3.729 231 HE2 LYS 34 HE3 LYS 34 7.793 -9.783 -5.199 232 HE3 LYS 34 HE2 LYS 34 8.067 -10.119 -3.489 233 HZ1 LYS 34 HZ1 LYS 34 5.470 -10.737 -4.738 234 HZ2 LYS 34 HZ2 LYS 34 6.177 -11.416 -3.352 235 HZ3 LYS 34 HZ3 LYS 34 6.771 -11.813 -4.894 236 H LEU 35 H LEU 35 7.149 -3.212 -6.166 237 HA LEU 35 HA LEU 35 6.222 -1.569 -4.084 238 HB2 LEU 35 HB3 LEU 35 7.431 -1.103 -6.760 239 HB3 LEU 35 HB2 LEU 35 6.631 0.276 -6.012 240 HG LEU 35 HG LEU 35 8.780 -1.422 -4.705 241 HD11 LEU 35 HD11 LEU 35 9.209 1.458 -5.231 242 HD12 LEU 35 HD12 LEU 35 9.152 0.443 -6.670 243 HD13 LEU 35 HD13 LEU 35 10.325 0.105 -5.400 244 HD21 LEU 35 HD21 LEU 35 7.915 -0.541 -2.808 245 HD22 LEU 35 HD22 LEU 35 6.859 0.545 -3.710 246 HD23 LEU 35 HD23 LEU 35 8.523 1.012 -3.377 247 H LEU 36 H LEU 36 4.896 -1.886 -7.392 248 HA LEU 36 HA LEU 36 2.718 -0.066 -6.955 249 HB2 LEU 36 HB3 LEU 36 3.449 -0.801 -9.220 250 HB3 LEU 36 HB2 LEU 36 2.846 -2.422 -8.866 251 HG LEU 36 HG LEU 36 0.889 -0.284 -8.335 252 HD11 LEU 36 HD11 LEU 36 1.708 -0.888 -11.193 253 HD12 LEU 36 HD12 LEU 36 2.060 0.623 -10.350 254 HD13 LEU 36 HD13 LEU 36 0.389 0.164 -10.680 255 HD21 LEU 36 HD21 LEU 36 0.480 -2.779 -8.341 256 HD22 LEU 36 HD22 LEU 36 0.754 -2.759 -10.084 257 HD23 LEU 36 HD23 LEU 36 -0.604 -1.870 -9.397 258 H GLU 37 H GLU 37 3.086 -3.555 -6.499 259 HA GLU 37 HA GLU 37 0.379 -4.197 -5.943 260 HB2 GLU 37 HB3 GLU 37 2.905 -5.359 -4.731 261 HB3 GLU 37 HB2 GLU 37 1.310 -6.108 -4.667 262 HG2 GLU 37 HG3 GLU 37 1.263 -6.159 -7.153 263 HG3 GLU 37 HG2 GLU 37 2.896 -5.488 -7.173 264 H MET 38 H MET 38 2.957 -2.977 -3.825 265 HA MET 38 HA MET 38 1.377 -3.111 -1.413 266 HB2 MET 38 HB3 MET 38 3.849 -1.540 -2.164 267 HB3 MET 38 HB2 MET 38 3.147 -1.538 -0.546 268 HG2 MET 38 HG3 MET 38 4.000 -4.029 -2.040 269 HG3 MET 38 HG2 MET 38 4.980 -3.230 -0.811 270 HE1 MET 38 HE1 MET 38 2.970 -6.384 -1.041 271 HE2 MET 38 HE2 MET 38 2.087 -5.119 -1.890 272 HE3 MET 38 HE3 MET 38 1.370 -5.886 -0.474 273 H GLY 39 H GLY 39 2.171 -0.436 -3.637 274 HA2 GLY 39 HA3 GLY 39 0.762 1.599 -2.269 275 HA3 GLY 39 HA2 GLY 39 0.999 1.564 -4.019 276 H TYR 40 H TYR 40 -0.349 -1.077 -4.225 277 HA TYR 40 HA TYR 40 -3.120 -0.034 -4.256 278 HB2 TYR 40 HB3 TYR 40 -2.353 -1.036 -6.318 279 HB3 TYR 40 HB2 TYR 40 -1.846 -2.499 -5.472 280 HD1 TYR 40 HD1 TYR 40 -3.525 -4.049 -4.514 281 HD2 TYR 40 HD2 TYR 40 -4.679 -0.604 -6.807 282 HE1 TYR 40 HE1 TYR 40 -5.806 -4.983 -4.767 283 HE2 TYR 40 HE2 TYR 40 -6.960 -1.537 -7.061 284 HH TYR 40 HH TYR 40 -7.751 -4.788 -5.943 285 H TYR 41 H TYR 41 -1.491 -3.072 -3.270 286 HA TYR 41 HA TYR 41 -3.801 -3.954 -1.772 287 HB2 TYR 41 HB3 TYR 41 -0.964 -4.955 -2.003 288 HB3 TYR 41 HB2 TYR 41 -2.141 -5.710 -0.932 289 HD1 TYR 41 HD1 TYR 41 -4.361 -6.486 -1.934 290 HD2 TYR 41 HD2 TYR 41 -0.938 -5.471 -4.321 291 HE1 TYR 41 HE1 TYR 41 -5.317 -7.751 -3.838 292 HE2 TYR 41 HE2 TYR 41 -1.895 -6.740 -6.228 293 HH TYR 41 HH TYR 41 -4.825 -7.469 -6.667 294 H CYS 42 H CYS 42 -0.614 -2.630 -0.810 295 HA CYS 42 HA CYS 42 -1.884 -1.972 1.794 296 HB2 CYS 42 HB3 CYS 42 0.905 -3.087 1.687 297 HB3 CYS 42 HB2 CYS 42 -0.172 -2.929 3.076 298 HA PRO 43 HA PRO 43 0.607 1.535 -0.057 299 HB2 PRO 43 HB3 PRO 43 -1.357 3.410 0.428 300 HB3 PRO 43 HB2 PRO 43 -1.193 2.512 -1.092 301 HG2 PRO 43 HG3 PRO 43 -3.015 2.024 1.210 302 HG3 PRO 43 HG2 PRO 43 -3.333 1.894 -0.530 303 HD2 PRO 43 HD3 PRO 43 -2.891 -0.289 1.010 304 HD3 PRO 43 HD2 PRO 43 -2.361 -0.218 -0.685 305 H VAL 44 H VAL 44 -1.358 1.249 2.869 306 HA VAL 44 HA VAL 44 0.108 3.372 4.252 307 HB VAL 44 HB VAL 44 -1.845 1.299 5.289 308 HG11 VAL 44 HG11 VAL 44 -1.994 2.682 7.272 309 HG12 VAL 44 HG12 VAL 44 -0.888 3.869 6.578 310 HG13 VAL 44 HG13 VAL 44 -0.300 2.264 7.018 311 HG21 VAL 44 HG21 VAL 44 -2.088 3.977 4.016 312 HG22 VAL 44 HG22 VAL 44 -3.145 3.658 5.395 313 HG23 VAL 44 HG23 VAL 44 -3.199 2.610 3.974 314 H THR 45 H THR 45 0.037 -0.191 4.350 315 HA THR 45 HA THR 45 1.853 -0.538 6.503 316 HB THR 45 HB THR 45 1.553 -2.300 4.060 317 HG1 THR 45 HG1 THR 45 0.081 -3.397 5.534 318 HG21 THR 45 HG21 THR 45 2.766 -2.649 6.784 319 HG22 THR 45 HG22 THR 45 3.431 -3.078 5.209 320 HG23 THR 45 HG23 THR 45 2.129 -4.041 5.908 321 H CYS 46 H CYS 46 2.492 -0.019 3.034 322 HA CYS 46 HA CYS 46 5.376 -0.360 3.482 323 HB2 CYS 46 HB3 CYS 46 3.729 0.324 1.045 324 HB3 CYS 46 HB2 CYS 46 5.493 0.323 1.029 325 H GLY 47 H GLY 47 3.190 2.198 3.851 326 HA2 GLY 47 HA3 GLY 47 3.787 4.353 4.667 327 HA3 GLY 47 HA2 GLY 47 5.452 4.034 4.207 328 H PHE 48 H PHE 48 2.670 3.776 1.993 329 HA PHE 48 HA PHE 48 3.939 5.978 0.421 330 HB2 PHE 48 HB3 PHE 48 1.853 3.948 -0.441 331 HB3 PHE 48 HB2 PHE 48 2.618 5.151 -1.480 332 HD1 PHE 48 HD2 PHE 48 5.362 5.135 -1.110 333 HD2 PHE 48 HD1 PHE 48 2.681 1.815 -0.679 334 HE1 PHE 48 HE2 PHE 48 7.236 3.564 -1.523 335 HE2 PHE 48 HE1 PHE 48 4.546 0.247 -1.091 336 HZ PHE 48 HZ PHE 48 6.828 1.120 -1.513 337 H CYS 49 H CYS 49 1.322 5.127 2.400 338 HA CYS 49 HA CYS 49 -0.084 7.655 1.657 339 HB2 CYS 49 HB3 CYS 49 -1.151 4.905 2.127 340 HB3 CYS 49 HB2 CYS 49 -2.112 6.266 2.701 341 H GLU 50 H GLU 50 -1.386 8.507 3.547 342 HA GLU 50 HA GLU 50 0.178 8.116 6.045 343 HB2 GLU 50 HB3 GLU 50 -1.670 10.343 5.138 344 HB3 GLU 50 HB2 GLU 50 -0.936 10.267 6.742 345 HG2 GLU 50 HG3 GLU 50 1.306 10.285 5.748 346 HG3 GLU 50 HG2 GLU 50 0.606 10.298 4.131 347 HA PRO 51 HA PRO 51 -3.451 5.859 7.422 348 HB2 PRO 51 HB3 PRO 51 -2.591 5.369 9.977 349 HB3 PRO 51 HB2 PRO 51 -2.057 4.440 8.563 350 HG2 PRO 51 HG3 PRO 51 -0.663 6.599 10.045 351 HG3 PRO 51 HG2 PRO 51 -0.007 5.140 9.282 352 HD2 PRO 51 HD3 PRO 51 0.148 7.649 8.161 353 HD3 PRO 51 HD2 PRO 51 0.177 6.144 7.218 Start of MODEL 21 1 HA ASN 1 HA ASN 1 -13.298 25.121 0.963 2 HB2 ASN 1 HB3 ASN 1 -14.827 27.079 1.647 3 HB3 ASN 1 HB2 ASN 1 -15.948 25.849 2.227 4 HD21 ASN 1 HD21 ASN 1 -15.565 26.596 4.474 5 HD22 ASN 1 HD22 ASN 1 -14.131 26.178 5.280 6 H ASP 2 H ASP 2 -15.862 23.517 -0.382 7 HA ASP 2 HA ASP 2 -16.518 21.652 1.725 8 HB2 ASP 2 HB3 ASP 2 -16.802 21.500 -1.288 9 HB3 ASP 2 HB2 ASP 2 -17.409 20.260 -0.189 10 H ILE 3 H ILE 3 -15.587 19.672 2.198 11 HA ILE 3 HA ILE 3 -12.841 19.270 1.340 12 HB ILE 3 HB ILE 3 -14.668 17.457 2.946 13 HG12 ILE 3 HG13 ILE 3 -12.550 19.420 3.884 14 HG13 ILE 3 HG12 ILE 3 -14.281 19.762 3.895 15 HG21 ILE 3 HG21 ILE 3 -11.738 17.436 2.265 16 HG22 ILE 3 HG22 ILE 3 -12.883 16.096 2.272 17 HG23 ILE 3 HG23 ILE 3 -12.287 16.752 3.795 18 HD11 ILE 3 HD11 ILE 3 -13.430 18.932 6.101 19 HD12 ILE 3 HD12 ILE 3 -12.997 17.413 5.318 20 HD13 ILE 3 HD13 ILE 3 -14.687 17.903 5.411 21 H ARG 4 H ARG 4 -15.664 18.701 -0.228 22 HA ARG 4 HA ARG 4 -15.223 16.016 -1.231 23 HB2 ARG 4 HB3 ARG 4 -16.832 18.303 -2.413 24 HB3 ARG 4 HB2 ARG 4 -16.948 16.609 -2.891 25 HG2 ARG 4 HG3 ARG 4 -17.606 16.032 -0.557 26 HG3 ARG 4 HG2 ARG 4 -17.590 17.749 -0.156 27 HD2 ARG 4 HD3 ARG 4 -19.274 18.124 -1.987 28 HD3 ARG 4 HD2 ARG 4 -19.370 16.375 -2.188 29 HE ARG 4 HE ARG 4 -20.468 17.918 0.061 30 HH11 ARG 4 HH21 ARG 4 -19.454 14.890 -1.244 31 HH12 ARG 4 HH22 ARG 4 -20.453 13.951 -0.186 32 HH21 ARG 4 HH11 ARG 4 -21.772 16.707 1.449 33 HH22 ARG 4 HH12 ARG 4 -21.764 14.978 1.337 34 H THR 5 H THR 5 -13.485 18.792 -1.634 35 HA THR 5 HA THR 5 -12.878 18.416 -4.488 36 HB THR 5 HB THR 5 -13.057 20.684 -3.229 37 HG1 THR 5 HG1 THR 5 -12.238 21.145 -5.090 38 HG21 THR 5 HG21 THR 5 -11.292 19.653 -1.523 39 HG22 THR 5 HG22 THR 5 -11.304 21.376 -1.897 40 HG23 THR 5 HG23 THR 5 -10.144 20.311 -2.689 41 H ALA 6 H ALA 6 -11.912 16.986 -1.659 42 HA ALA 6 HA ALA 6 -9.096 16.619 -2.555 43 HB1 ALA 6 HB1 ALA 6 -10.356 16.810 0.013 44 HB2 ALA 6 HB2 ALA 6 -8.637 16.652 -0.352 45 HB3 ALA 6 HB3 ALA 6 -9.628 15.210 -0.131 46 H ALA 7 H ALA 7 -11.584 15.355 -3.754 47 HA ALA 7 HA ALA 7 -12.298 13.227 -4.461 48 HB1 ALA 7 HB1 ALA 7 -9.648 13.515 -5.069 49 HB2 ALA 7 HB2 ALA 7 -10.610 12.109 -5.526 50 HB3 ALA 7 HB3 ALA 7 -9.603 12.054 -4.081 51 H ASP 8 H ASP 8 -11.948 10.719 -3.796 52 HA ASP 8 HA ASP 8 -12.273 10.692 -0.833 53 HB2 ASP 8 HB3 ASP 8 -13.165 8.727 -2.965 54 HB3 ASP 8 HB2 ASP 8 -13.383 8.481 -1.232 55 H MET 9 H MET 9 -9.795 10.388 -2.808 56 HA MET 9 HA MET 9 -8.784 7.805 -1.777 57 HB2 MET 9 HB3 MET 9 -7.813 9.740 -3.878 58 HB3 MET 9 HB2 MET 9 -6.780 8.441 -3.277 59 HG2 MET 9 HG3 MET 9 -9.476 7.516 -3.930 60 HG3 MET 9 HG2 MET 9 -8.642 8.206 -5.324 61 HE1 MET 9 HE1 MET 9 -7.192 4.772 -2.644 62 HE2 MET 9 HE2 MET 9 -8.647 5.745 -2.445 63 HE3 MET 9 HE3 MET 9 -7.064 6.464 -2.148 64 H GLU 10 H GLU 10 -9.085 10.612 -0.405 65 HA GLU 10 HA GLU 10 -6.409 11.361 0.369 66 HB2 GLU 10 HB3 GLU 10 -8.406 12.856 0.551 67 HB3 GLU 10 HB2 GLU 10 -9.013 11.826 1.848 68 HG2 GLU 10 HG3 GLU 10 -6.872 12.247 3.095 69 HG3 GLU 10 HG2 GLU 10 -6.438 13.417 1.849 70 H HIS 11 H HIS 11 -8.676 8.947 1.464 71 HA HIS 11 HA HIS 11 -6.996 8.419 3.861 72 HB2 HIS 11 HB3 HIS 11 -9.741 7.391 3.086 73 HB3 HIS 11 HB2 HIS 11 -8.894 6.984 4.579 74 HD1 HIS 11 HD1 HIS 11 -10.856 9.683 2.934 75 HD2 HIS 11 HD2 HIS 11 -8.591 9.214 6.407 76 HE1 HIS 11 HE1 HIS 11 -11.377 11.678 4.408 77 HE2 HIS 11 HE2 HIS 11 -10.006 11.403 6.522 78 H CYS 12 H CYS 12 -5.533 6.832 3.698 79 HA CYS 12 HA CYS 12 -5.937 4.719 1.619 80 HB2 CYS 12 HB3 CYS 12 -3.391 5.670 2.961 81 HB3 CYS 12 HB2 CYS 12 -3.488 4.426 1.713 82 H ALA 13 H ALA 13 -5.914 2.562 2.295 83 HA ALA 13 HA ALA 13 -5.275 2.061 5.165 84 HB1 ALA 13 HB1 ALA 13 -7.882 2.093 4.067 85 HB2 ALA 13 HB2 ALA 13 -7.401 1.539 5.672 86 HB3 ALA 13 HB3 ALA 13 -7.471 0.398 4.328 87 H ASP 14 H ASP 14 -4.505 -0.058 5.594 88 HA ASP 14 HA ASP 14 -3.258 -1.378 3.333 89 HB2 ASP 14 HB3 ASP 14 -2.507 -3.044 5.015 90 HB3 ASP 14 HB2 ASP 14 -2.172 -1.395 5.539 91 H GLU 15 H GLU 15 -3.974 -3.184 2.242 92 HA GLU 15 HA GLU 15 -6.751 -3.805 2.252 93 HB2 GLU 15 HB3 GLU 15 -4.325 -4.818 0.931 94 HB3 GLU 15 HB2 GLU 15 -5.585 -6.029 1.141 95 HG2 GLU 15 HG3 GLU 15 -5.698 -4.654 -1.014 96 HG3 GLU 15 HG2 GLU 15 -7.179 -4.732 -0.065 97 H LYS 16 H LYS 16 -7.924 -5.422 3.256 98 HA LYS 16 HA LYS 16 -6.640 -6.719 5.571 99 HB2 LYS 16 HB3 LYS 16 -8.897 -7.342 6.224 100 HB3 LYS 16 HB2 LYS 16 -8.896 -5.644 5.749 101 HG2 LYS 16 HG3 LYS 16 -9.670 -6.320 3.473 102 HG3 LYS 16 HG2 LYS 16 -9.778 -7.988 4.038 103 HD2 LYS 16 HD3 LYS 16 -11.318 -7.171 5.866 104 HD3 LYS 16 HD2 LYS 16 -11.337 -5.604 5.057 105 HE2 LYS 16 HE3 LYS 16 -11.843 -7.736 3.157 106 HE3 LYS 16 HE2 LYS 16 -12.991 -7.807 4.493 107 HZ1 LYS 16 HZ1 LYS 16 -13.785 -6.349 2.745 108 HZ2 LYS 16 HZ2 LYS 16 -12.376 -5.405 2.857 109 HZ3 LYS 16 HZ3 LYS 16 -13.470 -5.461 4.154 110 H ASN 17 H ASN 17 -7.878 -7.552 2.398 111 HA ASN 17 HA ASN 17 -7.780 -10.437 2.924 112 HB2 ASN 17 HB3 ASN 17 -8.098 -8.902 0.326 113 HB3 ASN 17 HB2 ASN 17 -8.332 -10.639 0.525 114 HD21 ASN 17 HD21 ASN 17 -10.014 -7.733 0.454 115 HD22 ASN 17 HD22 ASN 17 -11.393 -8.202 1.328 116 H PHE 18 H PHE 18 -5.486 -8.081 2.362 117 HA PHE 18 HA PHE 18 -3.647 -10.015 1.012 118 HB2 PHE 18 HB3 PHE 18 -4.051 -7.775 -0.103 119 HB3 PHE 18 HB2 PHE 18 -3.284 -7.020 1.293 120 HD1 PHE 18 HD2 PHE 18 -2.762 -9.220 -1.626 121 HD2 PHE 18 HD1 PHE 18 -0.895 -7.234 1.692 122 HE1 PHE 18 HE2 PHE 18 -0.530 -9.669 -2.612 123 HE2 PHE 18 HE1 PHE 18 1.333 -7.677 0.703 124 HZ PHE 18 HZ PHE 18 1.518 -8.896 -1.448 125 H ASP 19 H ASP 19 -1.874 -10.713 2.173 126 HA ASP 19 HA ASP 19 -1.716 -9.938 4.989 127 HB2 ASP 19 HB3 ASP 19 0.096 -11.734 3.341 128 HB3 ASP 19 HB2 ASP 19 0.113 -11.585 5.098 129 H CYS 20 H CYS 20 -1.197 -7.675 4.721 130 HA CYS 20 HA CYS 20 1.141 -6.802 3.268 131 HB2 CYS 20 HB3 CYS 20 -0.248 -5.384 5.559 132 HB3 CYS 20 HB2 CYS 20 0.723 -4.656 4.279 133 H ARG 21 H ARG 21 0.506 -7.724 6.613 134 HA ARG 21 HA ARG 21 2.967 -6.869 7.758 135 HB2 ARG 21 HB3 ARG 21 0.822 -7.845 8.874 136 HB3 ARG 21 HB2 ARG 21 1.565 -9.414 8.566 137 HG2 ARG 21 HG3 ARG 21 2.853 -7.141 10.111 138 HG3 ARG 21 HG2 ARG 21 2.125 -8.579 10.830 139 HD2 ARG 21 HD3 ARG 21 3.753 -9.904 9.300 140 HD3 ARG 21 HD2 ARG 21 4.616 -8.373 9.154 141 HE ARG 21 HE ARG 21 5.307 -8.587 11.405 142 HH11 ARG 21 HH21 ARG 21 2.799 -10.795 10.559 143 HH12 ARG 21 HH22 ARG 21 2.949 -11.729 12.010 144 HH21 ARG 21 HH11 ARG 21 5.518 -9.790 13.303 145 HH22 ARG 21 HH12 ARG 21 4.487 -11.156 13.567 146 H ARG 22 H ARG 22 2.048 -9.981 6.250 147 HA ARG 22 HA ARG 22 4.659 -11.158 6.570 148 HB2 ARG 22 HB3 ARG 22 3.116 -12.815 6.181 149 HB3 ARG 22 HB2 ARG 22 2.168 -11.814 5.083 150 HG2 ARG 22 HG3 ARG 22 3.719 -12.132 3.295 151 HG3 ARG 22 HG2 ARG 22 4.915 -12.849 4.376 152 HD2 ARG 22 HD3 ARG 22 2.205 -14.033 3.713 153 HD3 ARG 22 HD2 ARG 22 3.751 -14.583 3.063 154 HE ARG 22 HE ARG 22 4.242 -14.837 5.694 155 HH11 ARG 22 HH21 ARG 22 1.440 -15.554 3.816 156 HH12 ARG 22 HH22 ARG 22 0.919 -16.847 4.844 157 HH21 ARG 22 HH11 ARG 22 3.580 -16.521 7.046 158 HH22 ARG 22 HH12 ARG 22 2.133 -17.398 6.671 159 H SER 23 H SER 23 3.015 -9.568 3.854 160 HA SER 23 HA SER 23 5.150 -9.830 1.984 161 HB2 SER 23 HB3 SER 23 2.984 -7.725 2.230 162 HB3 SER 23 HB2 SER 23 4.042 -7.898 0.834 163 HG SER 23 HG SER 23 2.682 -10.149 1.794 164 H LEU 24 H LEU 24 4.475 -7.424 4.494 165 HA LEU 24 HA LEU 24 6.477 -5.528 3.725 166 HB2 LEU 24 HB3 LEU 24 4.692 -5.011 5.352 167 HB3 LEU 24 HB2 LEU 24 5.406 -6.153 6.492 168 HG LEU 24 HG LEU 24 7.555 -4.807 6.333 169 HD11 LEU 24 HD11 LEU 24 5.703 -3.132 4.674 170 HD12 LEU 24 HD12 LEU 24 7.402 -3.519 4.405 171 HD13 LEU 24 HD13 LEU 24 6.950 -2.341 5.637 172 HD21 LEU 24 HD21 LEU 24 6.489 -2.832 7.666 173 HD22 LEU 24 HD22 LEU 24 6.349 -4.466 8.314 174 HD23 LEU 24 HD23 LEU 24 4.984 -3.733 7.473 175 H ARG 25 H ARG 25 6.601 -8.159 6.154 176 HA ARG 25 HA ARG 25 9.373 -7.716 6.771 177 HB2 ARG 25 HB3 ARG 25 9.275 -9.909 7.880 178 HB3 ARG 25 HB2 ARG 25 7.851 -8.950 8.286 179 HG2 ARG 25 HG3 ARG 25 6.626 -10.118 6.438 180 HG3 ARG 25 HG2 ARG 25 8.023 -11.174 6.238 181 HD2 ARG 25 HD3 ARG 25 7.807 -11.795 8.665 182 HD3 ARG 25 HD2 ARG 25 6.302 -10.875 8.714 183 HE ARG 25 HE ARG 25 6.436 -12.931 6.615 184 HH11 ARG 25 HH21 ARG 25 5.567 -12.051 9.830 185 HH12 ARG 25 HH22 ARG 25 4.353 -13.276 9.979 186 HH21 ARG 25 HH11 ARG 25 4.857 -14.532 6.787 187 HH22 ARG 25 HH12 ARG 25 3.949 -14.681 8.256 188 H ASN 26 H ASN 26 7.747 -9.294 4.175 189 HA ASN 26 HA ASN 26 10.005 -10.979 3.394 190 HB2 ASN 26 HB3 ASN 26 7.485 -10.121 1.943 191 HB3 ASN 26 HB2 ASN 26 8.661 -11.257 1.285 192 HD21 ASN 26 HD21 ASN 26 5.916 -11.978 1.874 193 HD22 ASN 26 HD22 ASN 26 5.947 -13.134 3.116 194 H GLY 27 H GLY 27 9.505 -7.697 3.340 195 HA2 GLY 27 HA3 GLY 27 10.902 -6.041 2.370 196 HA3 GLY 27 HA2 GLY 27 11.679 -7.303 1.413 197 H ASP 28 H ASP 28 8.225 -7.201 1.404 198 HA ASP 28 HA ASP 28 8.041 -6.965 -1.420 199 HB2 ASP 28 HB3 ASP 28 6.270 -7.874 0.125 200 HB3 ASP 28 HB2 ASP 28 5.896 -6.212 0.582 201 H CYS 29 H CYS 29 7.782 -4.496 1.138 202 HA CYS 29 HA CYS 29 7.081 -2.340 -0.637 203 HB2 CYS 29 HB3 CYS 29 8.638 -2.099 1.949 204 HB3 CYS 29 HB2 CYS 29 7.614 -0.878 1.196 205 H ASP 30 H ASP 30 10.020 -4.017 0.051 206 HA ASP 30 HA ASP 30 11.678 -1.864 -1.130 207 HB2 ASP 30 HB3 ASP 30 12.366 -4.531 0.132 208 HB3 ASP 30 HB2 ASP 30 13.567 -3.454 -0.582 209 H ASN 31 H ASN 31 9.801 -4.331 -2.303 210 HA ASN 31 HA ASN 31 11.713 -5.075 -4.448 211 HB2 ASN 31 HB3 ASN 31 10.244 -6.796 -3.238 212 HB3 ASN 31 HB2 ASN 31 8.885 -6.078 -4.101 213 HD21 ASN 31 HD21 ASN 31 9.299 -8.676 -4.749 214 HD22 ASN 31 HD22 ASN 31 10.064 -8.836 -6.256 215 H ASP 32 H ASP 32 11.738 -3.680 -6.137 216 HA ASP 32 HA ASP 32 9.787 -1.705 -6.676 217 HB2 ASP 32 HB3 ASP 32 11.738 -3.050 -8.566 218 HB3 ASP 32 HB2 ASP 32 10.842 -1.575 -8.933 219 H ASP 33 H ASP 33 10.045 -5.048 -7.738 220 HA ASP 33 HA ASP 33 7.990 -4.925 -9.742 221 HB2 ASP 33 HB3 ASP 33 9.663 -6.777 -9.521 222 HB3 ASP 33 HB2 ASP 33 8.814 -7.315 -8.071 223 H LYS 34 H LYS 34 7.913 -5.144 -6.255 224 HA LYS 34 HA LYS 34 4.974 -5.670 -6.384 225 HB2 LYS 34 HB3 LYS 34 6.744 -5.814 -3.939 226 HB3 LYS 34 HB2 LYS 34 5.105 -6.437 -4.120 227 HG2 LYS 34 HG3 LYS 34 6.071 -7.886 -6.027 228 HG3 LYS 34 HG2 LYS 34 7.648 -7.480 -5.351 229 HD2 LYS 34 HD3 LYS 34 6.931 -8.339 -3.152 230 HD3 LYS 34 HD2 LYS 34 5.364 -8.771 -3.835 231 HE2 LYS 34 HE3 LYS 34 6.318 -10.427 -5.248 232 HE3 LYS 34 HE2 LYS 34 7.952 -9.812 -4.996 233 HZ1 LYS 34 HZ1 LYS 34 7.929 -11.564 -3.559 234 HZ2 LYS 34 HZ2 LYS 34 6.273 -11.420 -3.208 235 HZ3 LYS 34 HZ3 LYS 34 7.388 -10.339 -2.519 236 H LEU 35 H LEU 35 7.078 -3.136 -6.213 237 HA LEU 35 HA LEU 35 6.145 -1.579 -4.045 238 HB2 LEU 35 HB3 LEU 35 7.425 -0.978 -6.674 239 HB3 LEU 35 HB2 LEU 35 6.670 0.367 -5.814 240 HG LEU 35 HG LEU 35 8.731 -1.524 -4.635 241 HD11 LEU 35 HD11 LEU 35 10.354 -0.020 -5.181 242 HD12 LEU 35 HD12 LEU 35 9.295 1.365 -4.914 243 HD13 LEU 35 HD13 LEU 35 9.215 0.475 -6.434 244 HD21 LEU 35 HD21 LEU 35 8.589 0.747 -3.074 245 HD22 LEU 35 HD22 LEU 35 7.791 -0.783 -2.704 246 HD23 LEU 35 HD23 LEU 35 6.904 0.500 -3.528 247 H LEU 36 H LEU 36 4.878 -1.825 -7.373 248 HA LEU 36 HA LEU 36 2.734 0.049 -6.956 249 HB2 LEU 36 HB3 LEU 36 3.456 -0.676 -9.216 250 HB3 LEU 36 HB2 LEU 36 2.868 -2.304 -8.875 251 HG LEU 36 HG LEU 36 0.914 -0.130 -8.384 252 HD11 LEU 36 HD11 LEU 36 0.396 -0.221 -10.937 253 HD12 LEU 36 HD12 LEU 36 2.079 -0.718 -11.102 254 HD13 LEU 36 HD13 LEU 36 1.686 0.846 -10.385 255 HD21 LEU 36 HD21 LEU 36 0.490 -2.521 -10.141 256 HD22 LEU 36 HD22 LEU 36 -0.610 -1.779 -8.980 257 HD23 LEU 36 HD23 LEU 36 0.723 -2.786 -8.414 258 H GLU 37 H GLU 37 3.032 -3.454 -6.526 259 HA GLU 37 HA GLU 37 0.304 -4.019 -5.956 260 HB2 GLU 37 HB3 GLU 37 2.776 -5.323 -4.769 261 HB3 GLU 37 HB2 GLU 37 1.156 -6.018 -4.805 262 HG2 GLU 37 HG3 GLU 37 1.207 -5.885 -7.306 263 HG3 GLU 37 HG2 GLU 37 2.881 -5.338 -7.202 264 H MET 38 H MET 38 2.949 -2.898 -3.873 265 HA MET 38 HA MET 38 1.424 -3.021 -1.421 266 HB2 MET 38 HB3 MET 38 3.898 -1.492 -2.224 267 HB3 MET 38 HB2 MET 38 3.240 -1.482 -0.591 268 HG2 MET 38 HG3 MET 38 4.039 -3.975 -2.115 269 HG3 MET 38 HG2 MET 38 5.042 -3.193 -0.899 270 HE1 MET 38 HE1 MET 38 2.073 -4.968 -1.946 271 HE2 MET 38 HE2 MET 38 1.311 -5.686 -0.531 272 HE3 MET 38 HE3 MET 38 2.848 -6.319 -1.113 273 H GLY 39 H GLY 39 2.188 -0.363 -3.680 274 HA2 GLY 39 HA3 GLY 39 0.871 1.700 -2.238 275 HA3 GLY 39 HA2 GLY 39 1.084 1.689 -3.991 276 H TYR 40 H TYR 40 -0.317 -0.900 -4.223 277 HA TYR 40 HA TYR 40 -3.063 0.189 -4.222 278 HB2 TYR 40 HB3 TYR 40 -2.310 -0.804 -6.295 279 HB3 TYR 40 HB2 TYR 40 -1.837 -2.287 -5.464 280 HD1 TYR 40 HD1 TYR 40 -3.544 -3.795 -4.514 281 HD2 TYR 40 HD2 TYR 40 -4.623 -0.340 -6.820 282 HE1 TYR 40 HE1 TYR 40 -5.829 -4.704 -4.799 283 HE2 TYR 40 HE2 TYR 40 -6.914 -1.246 -7.106 284 HH TYR 40 HH TYR 40 -7.714 -4.443 -6.448 285 H TYR 41 H TYR 41 -1.464 -2.873 -3.225 286 HA TYR 41 HA TYR 41 -3.803 -3.692 -1.709 287 HB2 TYR 41 HB3 TYR 41 -1.005 -4.799 -1.960 288 HB3 TYR 41 HB2 TYR 41 -2.198 -5.501 -0.870 289 HD1 TYR 41 HD1 TYR 41 -4.429 -6.279 -1.832 290 HD2 TYR 41 HD2 TYR 41 -1.055 -5.269 -4.287 291 HE1 TYR 41 HE1 TYR 41 -5.435 -7.522 -3.727 292 HE2 TYR 41 HE2 TYR 41 -2.064 -6.506 -6.183 293 HH TYR 41 HH TYR 41 -4.619 -8.658 -5.820 294 H CYS 42 H CYS 42 -0.507 -2.601 -0.750 295 HA CYS 42 HA CYS 42 -1.741 -1.803 1.840 296 HB2 CYS 42 HB3 CYS 42 1.002 -3.014 1.767 297 HB3 CYS 42 HB2 CYS 42 -0.115 -2.868 3.123 298 HA PRO 43 HA PRO 43 0.868 1.602 -0.012 299 HB2 PRO 43 HB3 PRO 43 -0.981 3.567 0.515 300 HB3 PRO 43 HB2 PRO 43 -0.932 2.647 -1.000 301 HG2 PRO 43 HG3 PRO 43 -2.686 2.293 1.380 302 HG3 PRO 43 HG2 PRO 43 -3.076 2.152 -0.342 303 HD2 PRO 43 HD3 PRO 43 -2.680 -0.024 1.234 304 HD3 PRO 43 HD2 PRO 43 -2.260 -0.017 -0.493 305 H VAL 44 H VAL 44 -1.111 1.467 2.906 306 HA VAL 44 HA VAL 44 0.424 3.477 4.338 307 HB VAL 44 HB VAL 44 -1.551 1.379 5.284 308 HG11 VAL 44 HG11 VAL 44 -1.683 2.976 7.286 309 HG12 VAL 44 HG12 VAL 44 -0.170 3.667 6.698 310 HG13 VAL 44 HG13 VAL 44 -0.237 1.971 7.181 311 HG21 VAL 44 HG21 VAL 44 -1.906 3.750 3.806 312 HG22 VAL 44 HG22 VAL 44 -2.362 4.160 5.459 313 HG23 VAL 44 HG23 VAL 44 -3.160 2.822 4.631 314 H THR 45 H THR 45 0.285 -0.078 4.328 315 HA THR 45 HA THR 45 2.117 -0.570 6.434 316 HB THR 45 HB THR 45 1.787 -2.219 3.919 317 HG1 THR 45 HG1 THR 45 -0.216 -2.134 4.667 318 HG21 THR 45 HG21 THR 45 3.655 -2.675 5.675 319 HG22 THR 45 HG22 THR 45 2.641 -4.020 5.159 320 HG23 THR 45 HG23 THR 45 2.331 -3.225 6.701 321 H CYS 46 H CYS 46 2.713 0.010 2.978 322 HA CYS 46 HA CYS 46 5.597 -0.377 3.373 323 HB2 CYS 46 HB3 CYS 46 3.910 0.343 0.974 324 HB3 CYS 46 HB2 CYS 46 5.673 0.271 0.917 325 H GLY 47 H GLY 47 3.549 2.123 4.044 326 HA2 GLY 47 HA3 GLY 47 4.091 4.307 4.728 327 HA3 GLY 47 HA2 GLY 47 5.765 3.986 4.287 328 H PHE 48 H PHE 48 2.971 3.697 2.115 329 HA PHE 48 HA PHE 48 4.211 5.850 0.451 330 HB2 PHE 48 HB3 PHE 48 2.170 3.746 -0.339 331 HB3 PHE 48 HB2 PHE 48 2.951 4.897 -1.422 332 HD1 PHE 48 HD1 PHE 48 5.681 4.605 0.278 333 HD2 PHE 48 HD2 PHE 48 3.038 1.883 -1.741 334 HE1 PHE 48 HE1 PHE 48 7.553 3.030 -0.046 335 HE2 PHE 48 HE2 PHE 48 4.922 0.312 -2.064 336 HZ PHE 48 HZ PHE 48 7.176 0.881 -1.213 337 H CYS 49 H CYS 49 1.657 5.113 2.519 338 HA CYS 49 HA CYS 49 0.422 7.715 1.948 339 HB2 CYS 49 HB3 CYS 49 -0.625 5.750 0.509 340 HB3 CYS 49 HB2 CYS 49 -1.468 5.400 2.016 341 H GLU 50 H GLU 50 -1.527 7.962 3.573 342 HA GLU 50 HA GLU 50 -0.600 6.837 6.177 343 HB2 GLU 50 HB3 GLU 50 -1.434 8.823 7.223 344 HB3 GLU 50 HB2 GLU 50 -0.541 9.359 5.801 345 HG2 GLU 50 HG3 GLU 50 -2.942 9.067 4.657 346 HG3 GLU 50 HG2 GLU 50 -3.483 9.368 6.308 347 HA PRO 51 HA PRO 51 -4.266 4.469 6.779 348 HB2 PRO 51 HB3 PRO 51 -4.682 6.041 9.288 349 HB3 PRO 51 HB2 PRO 51 -4.654 4.284 9.050 350 HG2 PRO 51 HG3 PRO 51 -2.594 5.628 10.127 351 HG3 PRO 51 HG2 PRO 51 -2.379 4.170 9.146 352 HD2 PRO 51 HD3 PRO 51 -1.738 6.977 8.475 353 HD3 PRO 51 HD2 PRO 51 -1.099 5.473 7.777 Start of MODEL 22 1 HA ASN 1 HA ASN 1 -8.958 25.947 -1.596 2 HB2 ASN 1 HB3 ASN 1 -8.487 28.045 -2.634 3 HB3 ASN 1 HB2 ASN 1 -7.197 27.804 -1.455 4 HD21 ASN 1 HD21 ASN 1 -6.851 29.488 -3.764 5 HD22 ASN 1 HD22 ASN 1 -5.693 28.768 -4.775 6 H ASP 2 H ASP 2 -6.959 23.975 -3.319 7 HA ASP 2 HA ASP 2 -7.906 24.452 -6.012 8 HB2 ASP 2 HB3 ASP 2 -6.885 22.292 -6.541 9 HB3 ASP 2 HB2 ASP 2 -5.795 23.232 -5.520 10 H ILE 3 H ILE 3 -9.406 23.121 -7.199 11 HA ILE 3 HA ILE 3 -11.718 22.321 -5.592 12 HB ILE 3 HB ILE 3 -11.289 22.032 -8.582 13 HG12 ILE 3 HG13 ILE 3 -10.959 24.362 -7.989 14 HG13 ILE 3 HG12 ILE 3 -12.572 24.201 -8.683 15 HG21 ILE 3 HG21 ILE 3 -13.955 22.555 -8.062 16 HG22 ILE 3 HG22 ILE 3 -13.495 21.514 -6.715 17 HG23 ILE 3 HG23 ILE 3 -13.275 20.959 -8.373 18 HD11 ILE 3 HD11 ILE 3 -11.801 24.553 -5.792 19 HD12 ILE 3 HD12 ILE 3 -13.363 23.868 -6.236 20 HD13 ILE 3 HD13 ILE 3 -12.937 25.501 -6.750 21 H ARG 4 H ARG 4 -8.888 20.797 -6.480 22 HA ARG 4 HA ARG 4 -9.954 18.152 -7.091 23 HB2 ARG 4 HB3 ARG 4 -7.185 19.036 -6.220 24 HB3 ARG 4 HB2 ARG 4 -7.595 17.428 -6.824 25 HG2 ARG 4 HG3 ARG 4 -8.417 18.487 -8.934 26 HG3 ARG 4 HG2 ARG 4 -7.845 20.040 -8.334 27 HD2 ARG 4 HD3 ARG 4 -5.550 19.060 -8.127 28 HD3 ARG 4 HD2 ARG 4 -6.157 17.584 -8.878 29 HE ARG 4 HE ARG 4 -6.863 19.632 -10.640 30 HH11 ARG 4 HH21 ARG 4 -4.009 18.397 -9.153 31 HH12 ARG 4 HH22 ARG 4 -2.969 18.856 -10.459 32 HH21 ARG 4 HH11 ARG 4 -5.519 20.238 -12.357 33 HH22 ARG 4 HH12 ARG 4 -3.827 19.900 -12.274 34 H THR 5 H THR 5 -10.020 19.914 -4.326 35 HA THR 5 HA THR 5 -9.184 17.900 -2.410 36 HB THR 5 HB THR 5 -9.355 20.476 -2.104 37 HG1 THR 5 HG1 THR 5 -9.960 20.094 0.136 38 HG21 THR 5 HG21 THR 5 -11.874 20.252 -2.823 39 HG22 THR 5 HG22 THR 5 -11.419 21.403 -1.567 40 HG23 THR 5 HG23 THR 5 -12.117 19.846 -1.124 41 H ALA 6 H ALA 6 -11.715 17.945 -4.504 42 HA ALA 6 HA ALA 6 -13.839 17.059 -2.699 43 HB1 ALA 6 HB1 ALA 6 -14.562 18.150 -4.705 44 HB2 ALA 6 HB2 ALA 6 -14.978 16.447 -4.898 45 HB3 ALA 6 HB3 ALA 6 -13.558 17.107 -5.712 46 H ALA 7 H ALA 7 -11.067 15.627 -3.890 47 HA ALA 7 HA ALA 7 -12.048 12.979 -4.489 48 HB1 ALA 7 HB1 ALA 7 -9.298 13.853 -3.552 49 HB2 ALA 7 HB2 ALA 7 -9.832 13.806 -5.237 50 HB3 ALA 7 HB3 ALA 7 -9.690 12.308 -4.312 51 H ASP 8 H ASP 8 -12.245 11.196 -3.130 52 HA ASP 8 HA ASP 8 -12.073 11.781 -0.203 53 HB2 ASP 8 HB3 ASP 8 -13.679 9.720 -1.749 54 HB3 ASP 8 HB2 ASP 8 -13.606 9.798 0.012 55 H MET 9 H MET 9 -10.144 10.646 -2.449 56 HA MET 9 HA MET 9 -9.436 8.063 -1.259 57 HB2 MET 9 HB3 MET 9 -8.198 9.685 -3.497 58 HB3 MET 9 HB2 MET 9 -7.634 8.088 -3.010 59 HG2 MET 9 HG3 MET 9 -10.340 8.825 -4.152 60 HG3 MET 9 HG2 MET 9 -9.132 7.753 -4.859 61 HE1 MET 9 HE1 MET 9 -8.948 4.869 -2.299 62 HE2 MET 9 HE2 MET 9 -8.336 6.412 -1.713 63 HE3 MET 9 HE3 MET 9 -8.054 5.938 -3.387 64 H GLU 10 H GLU 10 -9.081 10.885 0.018 65 HA GLU 10 HA GLU 10 -6.236 11.171 0.367 66 HB2 GLU 10 HB3 GLU 10 -7.899 13.001 0.719 67 HB3 GLU 10 HB2 GLU 10 -8.471 12.157 2.159 68 HG2 GLU 10 HG3 GLU 10 -6.865 13.824 2.853 69 HG3 GLU 10 HG2 GLU 10 -6.119 12.236 3.046 70 H HIS 11 H HIS 11 -8.631 9.116 1.782 71 HA HIS 11 HA HIS 11 -6.845 8.467 4.068 72 HB2 HIS 11 HB3 HIS 11 -9.674 7.579 3.414 73 HB3 HIS 11 HB2 HIS 11 -8.777 7.100 4.853 74 HD1 HIS 11 HD1 HIS 11 -10.538 10.018 3.292 75 HD2 HIS 11 HD2 HIS 11 -8.434 9.174 6.793 76 HE1 HIS 11 HE1 HIS 11 -10.932 11.973 4.858 77 HE2 HIS 11 HE2 HIS 11 -9.672 11.460 6.996 78 H CYS 12 H CYS 12 -5.466 6.801 3.811 79 HA CYS 12 HA CYS 12 -6.117 4.738 1.744 80 HB2 CYS 12 HB3 CYS 12 -3.434 5.568 2.883 81 HB3 CYS 12 HB2 CYS 12 -3.680 4.319 1.660 82 H ALA 13 H ALA 13 -6.033 2.565 2.359 83 HA ALA 13 HA ALA 13 -5.268 1.985 5.178 84 HB1 ALA 13 HB1 ALA 13 -7.491 0.332 4.424 85 HB2 ALA 13 HB2 ALA 13 -7.932 2.023 4.185 86 HB3 ALA 13 HB3 ALA 13 -7.377 1.471 5.765 87 H ASP 14 H ASP 14 -4.530 -0.183 5.494 88 HA ASP 14 HA ASP 14 -3.350 -1.383 3.128 89 HB2 ASP 14 HB3 ASP 14 -2.490 -3.075 4.686 90 HB3 ASP 14 HB2 ASP 14 -2.245 -1.459 5.350 91 H GLU 15 H GLU 15 -3.895 -3.495 2.268 92 HA GLU 15 HA GLU 15 -6.734 -3.977 2.186 93 HB2 GLU 15 HB3 GLU 15 -4.365 -5.004 0.851 94 HB3 GLU 15 HB2 GLU 15 -5.474 -6.310 1.270 95 HG2 GLU 15 HG3 GLU 15 -7.169 -4.331 0.308 96 HG3 GLU 15 HG2 GLU 15 -5.760 -4.205 -0.742 97 H LYS 16 H LYS 16 -7.966 -5.292 3.413 98 HA LYS 16 HA LYS 16 -6.768 -6.600 5.738 99 HB2 LYS 16 HB3 LYS 16 -9.050 -7.093 6.380 100 HB3 LYS 16 HB2 LYS 16 -9.014 -5.442 5.762 101 HG2 LYS 16 HG3 LYS 16 -9.735 -6.307 3.529 102 HG3 LYS 16 HG2 LYS 16 -9.896 -7.913 4.247 103 HD2 LYS 16 HD3 LYS 16 -11.421 -6.805 5.987 104 HD3 LYS 16 HD2 LYS 16 -11.468 -5.417 4.893 105 HE2 LYS 16 HE3 LYS 16 -12.177 -8.248 4.074 106 HE3 LYS 16 HE2 LYS 16 -13.363 -7.031 4.547 107 HZ1 LYS 16 HZ1 LYS 16 -12.945 -7.233 2.103 108 HZ2 LYS 16 HZ2 LYS 16 -11.387 -6.613 2.376 109 HZ3 LYS 16 HZ3 LYS 16 -12.757 -5.668 2.735 110 H ASN 17 H ASN 17 -7.801 -7.469 2.546 111 HA ASN 17 HA ASN 17 -7.866 -10.351 3.175 112 HB2 ASN 17 HB3 ASN 17 -8.207 -8.867 0.552 113 HB3 ASN 17 HB2 ASN 17 -8.509 -10.588 0.807 114 HD21 ASN 17 HD21 ASN 17 -10.225 -7.845 0.457 115 HD22 ASN 17 HD22 ASN 17 -11.513 -8.136 1.525 116 H PHE 18 H PHE 18 -5.537 -8.044 2.331 117 HA PHE 18 HA PHE 18 -3.781 -10.138 1.110 118 HB2 PHE 18 HB3 PHE 18 -4.116 -8.034 -0.209 119 HB3 PHE 18 HB2 PHE 18 -3.411 -7.127 1.126 120 HD1 PHE 18 HD2 PHE 18 -2.746 -9.518 -1.596 121 HD2 PHE 18 HD1 PHE 18 -1.039 -7.297 1.660 122 HE1 PHE 18 HE2 PHE 18 -0.471 -9.987 -2.467 123 HE2 PHE 18 HE1 PHE 18 1.234 -7.757 0.784 124 HZ PHE 18 HZ PHE 18 1.520 -9.105 -1.279 125 H ASP 19 H ASP 19 -2.091 -10.861 2.341 126 HA ASP 19 HA ASP 19 -1.804 -9.863 5.059 127 HB2 ASP 19 HB3 ASP 19 -0.113 -11.846 3.507 128 HB3 ASP 19 HB2 ASP 19 -0.036 -11.568 5.249 129 H CYS 20 H CYS 20 -1.190 -7.656 4.643 130 HA CYS 20 HA CYS 20 1.152 -6.950 3.119 131 HB2 CYS 20 HB3 CYS 20 -0.100 -5.421 5.420 132 HB3 CYS 20 HB2 CYS 20 0.882 -4.760 4.111 133 H ARG 21 H ARG 21 0.570 -7.823 6.481 134 HA ARG 21 HA ARG 21 3.077 -7.074 7.587 135 HB2 ARG 21 HB3 ARG 21 0.942 -8.014 8.731 136 HB3 ARG 21 HB2 ARG 21 1.597 -9.601 8.328 137 HG2 ARG 21 HG3 ARG 21 3.253 -7.541 9.788 138 HG3 ARG 21 HG2 ARG 21 2.173 -8.636 10.652 139 HD2 ARG 21 HD3 ARG 21 3.348 -10.544 9.410 140 HD3 ARG 21 HD2 ARG 21 4.560 -9.352 8.944 141 HE ARG 21 HE ARG 21 4.258 -10.512 11.586 142 HH11 ARG 21 HH21 ARG 21 5.186 -7.754 9.739 143 HH12 ARG 21 HH22 ARG 21 6.284 -7.154 10.938 144 HH21 ARG 21 HH11 ARG 21 5.675 -9.741 13.168 145 HH22 ARG 21 HH12 ARG 21 6.558 -8.280 12.883 146 H ARG 22 H ARG 22 2.031 -10.082 5.993 147 HA ARG 22 HA ARG 22 4.562 -11.419 6.217 148 HB2 ARG 22 HB3 ARG 22 2.926 -12.943 5.678 149 HB3 ARG 22 HB2 ARG 22 2.051 -11.797 4.661 150 HG2 ARG 22 HG3 ARG 22 3.600 -12.066 2.860 151 HG3 ARG 22 HG2 ARG 22 4.735 -12.947 3.882 152 HD2 ARG 22 HD3 ARG 22 3.107 -14.783 4.112 153 HD3 ARG 22 HD2 ARG 22 1.959 -13.896 3.107 154 HE ARG 22 HE ARG 22 4.228 -15.423 2.143 155 HH11 ARG 22 HH21 ARG 22 2.248 -12.642 1.646 156 HH12 ARG 22 HH22 ARG 22 2.533 -12.581 -0.061 157 HH21 ARG 22 HH11 ARG 22 4.616 -15.354 -0.077 158 HH22 ARG 22 HH12 ARG 22 3.878 -14.115 -1.037 159 H SER 23 H SER 23 3.080 -9.521 3.590 160 HA SER 23 HA SER 23 5.332 -9.776 1.819 161 HB2 SER 23 HB3 SER 23 4.247 -8.061 0.504 162 HB3 SER 23 HB2 SER 23 2.995 -9.119 1.143 163 HG SER 23 HG SER 23 3.407 -6.480 1.556 164 H LEU 24 H LEU 24 4.476 -7.475 4.365 165 HA LEU 24 HA LEU 24 6.478 -5.521 3.726 166 HB2 LEU 24 HB3 LEU 24 4.622 -5.009 5.243 167 HB3 LEU 24 HB2 LEU 24 5.227 -6.195 6.405 168 HG LEU 24 HG LEU 24 7.420 -4.869 6.397 169 HD11 LEU 24 HD11 LEU 24 6.856 -2.371 5.807 170 HD12 LEU 24 HD12 LEU 24 5.643 -3.099 4.757 171 HD13 LEU 24 HD13 LEU 24 7.347 -3.489 4.532 172 HD21 LEU 24 HD21 LEU 24 5.966 -4.711 8.304 173 HD22 LEU 24 HD22 LEU 24 4.846 -3.661 7.433 174 HD23 LEU 24 HD23 LEU 24 6.443 -3.065 7.883 175 H ARG 25 H ARG 25 6.524 -8.206 6.107 176 HA ARG 25 HA ARG 25 9.242 -7.722 6.907 177 HB2 ARG 25 HB3 ARG 25 9.125 -9.890 7.999 178 HB3 ARG 25 HB2 ARG 25 7.585 -9.058 8.233 179 HG2 ARG 25 HG3 ARG 25 6.718 -10.296 6.207 180 HG3 ARG 25 HG2 ARG 25 8.199 -11.251 6.235 181 HD2 ARG 25 HD3 ARG 25 7.665 -11.881 8.610 182 HD3 ARG 25 HD2 ARG 25 6.114 -11.060 8.427 183 HE ARG 25 HE ARG 25 6.736 -13.176 6.454 184 HH11 ARG 25 HH21 ARG 25 5.116 -12.104 9.303 185 HH12 ARG 25 HH22 ARG 25 3.936 -13.369 9.269 186 HH21 ARG 25 HH11 ARG 25 5.197 -14.835 6.393 187 HH22 ARG 25 HH12 ARG 25 3.976 -14.908 7.618 188 H ASN 26 H ASN 26 7.830 -9.241 4.166 189 HA ASN 26 HA ASN 26 10.198 -10.827 3.477 190 HB2 ASN 26 HB3 ASN 26 7.669 -10.112 1.967 191 HB3 ASN 26 HB2 ASN 26 8.931 -11.166 1.322 192 HD21 ASN 26 HD21 ASN 26 6.148 -11.964 1.976 193 HD22 ASN 26 HD22 ASN 26 6.268 -13.165 3.166 194 H GLY 27 H GLY 27 9.515 -7.585 3.430 195 HA2 GLY 27 HA3 GLY 27 10.834 -5.835 2.534 196 HA3 GLY 27 HA2 GLY 27 11.731 -7.030 1.595 197 H ASP 28 H ASP 28 8.276 -7.128 1.456 198 HA ASP 28 HA ASP 28 8.154 -6.895 -1.366 199 HB2 ASP 28 HB3 ASP 28 6.370 -7.834 0.135 200 HB3 ASP 28 HB2 ASP 28 5.957 -6.179 0.597 201 H CYS 29 H CYS 29 7.795 -4.444 1.173 202 HA CYS 29 HA CYS 29 7.058 -2.273 -0.554 203 HB2 CYS 29 HB3 CYS 29 8.673 -2.086 2.006 204 HB3 CYS 29 HB2 CYS 29 7.644 -0.839 1.301 205 H ASP 30 H ASP 30 10.022 -3.927 0.070 206 HA ASP 30 HA ASP 30 11.653 -1.758 -1.129 207 HB2 ASP 30 HB3 ASP 30 12.371 -4.391 0.187 208 HB3 ASP 30 HB2 ASP 30 13.561 -3.309 -0.543 209 H ASN 31 H ASN 31 9.836 -4.302 -2.253 210 HA ASN 31 HA ASN 31 11.768 -5.078 -4.365 211 HB2 ASN 31 HB3 ASN 31 10.315 -6.777 -3.150 212 HB3 ASN 31 HB2 ASN 31 8.934 -6.061 -3.974 213 HD21 ASN 31 HD21 ASN 31 9.494 -8.727 -4.514 214 HD22 ASN 31 HD22 ASN 31 10.134 -8.888 -6.079 215 H ASP 32 H ASP 32 11.815 -3.750 -6.102 216 HA ASP 32 HA ASP 32 9.884 -1.786 -6.744 217 HB2 ASP 32 HB3 ASP 32 11.859 -3.237 -8.526 218 HB3 ASP 32 HB2 ASP 32 10.936 -1.818 -9.027 219 H ASP 33 H ASP 33 10.121 -5.172 -7.662 220 HA ASP 33 HA ASP 33 8.080 -5.106 -9.682 221 HB2 ASP 33 HB3 ASP 33 9.741 -6.953 -9.404 222 HB3 ASP 33 HB2 ASP 33 8.903 -7.441 -7.928 223 H LYS 34 H LYS 34 7.950 -5.108 -6.204 224 HA LYS 34 HA LYS 34 5.016 -5.680 -6.352 225 HB2 LYS 34 HB3 LYS 34 6.730 -5.765 -3.864 226 HB3 LYS 34 HB2 LYS 34 5.118 -6.443 -4.096 227 HG2 LYS 34 HG3 LYS 34 6.129 -7.939 -5.886 228 HG3 LYS 34 HG2 LYS 34 7.712 -7.392 -5.329 229 HD2 LYS 34 HD3 LYS 34 7.131 -8.162 -3.027 230 HD3 LYS 34 HD2 LYS 34 5.615 -8.807 -3.658 231 HE2 LYS 34 HE3 LYS 34 8.352 -9.879 -3.886 232 HE3 LYS 34 HE2 LYS 34 6.804 -10.718 -3.973 233 HZ1 LYS 34 HZ1 LYS 34 6.571 -9.605 -6.229 234 HZ2 LYS 34 HZ2 LYS 34 7.689 -10.881 -6.105 235 HZ3 LYS 34 HZ3 LYS 34 8.231 -9.274 -6.118 236 H LEU 35 H LEU 35 7.149 -3.153 -6.160 237 HA LEU 35 HA LEU 35 6.209 -1.531 -4.057 238 HB2 LEU 35 HB3 LEU 35 7.419 -1.001 -6.740 239 HB3 LEU 35 HB2 LEU 35 6.714 0.362 -5.870 240 HG LEU 35 HG LEU 35 8.796 -1.536 -4.738 241 HD11 LEU 35 HD11 LEU 35 10.424 -0.054 -5.357 242 HD12 LEU 35 HD12 LEU 35 9.373 1.344 -5.156 243 HD13 LEU 35 HD13 LEU 35 9.267 0.366 -6.619 244 HD21 LEU 35 HD21 LEU 35 8.822 0.706 -3.190 245 HD22 LEU 35 HD22 LEU 35 7.866 -0.725 -2.810 246 HD23 LEU 35 HD23 LEU 35 7.116 0.645 -3.634 247 H LEU 36 H LEU 36 4.913 -1.851 -7.369 248 HA LEU 36 HA LEU 36 2.763 0.019 -6.958 249 HB2 LEU 36 HB3 LEU 36 3.555 -0.749 -9.211 250 HB3 LEU 36 HB2 LEU 36 2.830 -2.328 -8.877 251 HG LEU 36 HG LEU 36 1.033 -0.031 -8.404 252 HD11 LEU 36 HD11 LEU 36 2.178 -0.659 -11.125 253 HD12 LEU 36 HD12 LEU 36 1.995 0.918 -10.351 254 HD13 LEU 36 HD13 LEU 36 0.574 0.051 -10.939 255 HD21 LEU 36 HD21 LEU 36 0.540 -2.575 -8.418 256 HD22 LEU 36 HD22 LEU 36 0.614 -2.441 -10.173 257 HD23 LEU 36 HD23 LEU 36 -0.591 -1.525 -9.271 258 H GLU 37 H GLU 37 3.088 -3.475 -6.481 259 HA GLU 37 HA GLU 37 0.335 -4.033 -5.979 260 HB2 GLU 37 HB3 GLU 37 2.788 -5.358 -4.785 261 HB3 GLU 37 HB2 GLU 37 1.159 -6.034 -4.801 262 HG2 GLU 37 HG3 GLU 37 1.194 -5.928 -7.301 263 HG3 GLU 37 HG2 GLU 37 2.876 -5.402 -7.214 264 H MET 38 H MET 38 2.959 -2.950 -3.860 265 HA MET 38 HA MET 38 1.401 -3.088 -1.429 266 HB2 MET 38 HB3 MET 38 3.888 -1.532 -2.172 267 HB3 MET 38 HB2 MET 38 3.212 -1.587 -0.545 268 HG2 MET 38 HG3 MET 38 4.047 -4.018 -2.143 269 HG3 MET 38 HG2 MET 38 5.037 -3.263 -0.899 270 HE1 MET 38 HE1 MET 38 1.425 -5.927 -0.596 271 HE2 MET 38 HE2 MET 38 2.989 -6.383 -1.264 272 HE3 MET 38 HE3 MET 38 2.077 -5.066 -1.995 273 H GLY 39 H GLY 39 2.329 -0.409 -3.586 274 HA2 GLY 39 HA3 GLY 39 0.984 1.659 -2.226 275 HA3 GLY 39 HA2 GLY 39 1.248 1.637 -3.971 276 H TYR 40 H TYR 40 -0.212 -0.941 -4.223 277 HA TYR 40 HA TYR 40 -2.935 0.220 -4.293 278 HB2 TYR 40 HB3 TYR 40 -2.175 -0.809 -6.351 279 HB3 TYR 40 HB2 TYR 40 -1.759 -2.299 -5.501 280 HD1 TYR 40 HD1 TYR 40 -3.505 -3.776 -4.612 281 HD2 TYR 40 HD2 TYR 40 -4.496 -0.251 -6.854 282 HE1 TYR 40 HE1 TYR 40 -5.822 -4.611 -4.897 283 HE2 TYR 40 HE2 TYR 40 -6.816 -1.086 -7.140 284 HH TYR 40 HH TYR 40 -7.812 -4.232 -5.780 285 H TYR 41 H TYR 41 -1.459 -2.902 -3.299 286 HA TYR 41 HA TYR 41 -3.843 -3.627 -1.808 287 HB2 TYR 41 HB3 TYR 41 -1.090 -4.863 -1.992 288 HB3 TYR 41 HB2 TYR 41 -2.385 -5.538 -1.005 289 HD1 TYR 41 HD1 TYR 41 -4.638 -6.027 -2.173 290 HD2 TYR 41 HD2 TYR 41 -0.961 -5.371 -4.297 291 HE1 TYR 41 HE1 TYR 41 -5.589 -7.152 -4.168 292 HE2 TYR 41 HE2 TYR 41 -1.912 -6.496 -6.292 293 HH TYR 41 HH TYR 41 -4.169 -6.974 -7.233 294 H CYS 42 H CYS 42 -0.536 -2.588 -0.868 295 HA CYS 42 HA CYS 42 -1.719 -1.903 1.781 296 HB2 CYS 42 HB3 CYS 42 1.058 -3.018 1.538 297 HB3 CYS 42 HB2 CYS 42 0.028 -2.909 2.965 298 HA PRO 43 HA PRO 43 0.750 1.639 -0.023 299 HB2 PRO 43 HB3 PRO 43 -1.158 3.539 0.499 300 HB3 PRO 43 HB2 PRO 43 -1.096 2.612 -1.013 301 HG2 PRO 43 HG3 PRO 43 -2.792 2.174 1.402 302 HG3 PRO 43 HG2 PRO 43 -3.233 2.086 -0.313 303 HD2 PRO 43 HD3 PRO 43 -2.754 -0.143 1.147 304 HD3 PRO 43 HD2 PRO 43 -2.323 -0.045 -0.576 305 H VAL 44 H VAL 44 -1.208 1.296 2.908 306 HA VAL 44 HA VAL 44 0.272 3.362 4.353 307 HB VAL 44 HB VAL 44 -1.690 1.256 5.304 308 HG11 VAL 44 HG11 VAL 44 -0.024 3.272 6.712 309 HG12 VAL 44 HG12 VAL 44 -0.678 1.741 7.300 310 HG13 VAL 44 HG13 VAL 44 -1.712 3.166 7.214 311 HG21 VAL 44 HG21 VAL 44 -2.595 3.033 3.785 312 HG22 VAL 44 HG22 VAL 44 -2.014 4.250 4.921 313 HG23 VAL 44 HG23 VAL 44 -3.267 3.111 5.412 314 H THR 45 H THR 45 0.146 -0.211 4.424 315 HA THR 45 HA THR 45 1.991 -0.598 6.533 316 HB THR 45 HB THR 45 1.686 -2.361 4.094 317 HG1 THR 45 HG1 THR 45 -0.298 -2.366 4.854 318 HG21 THR 45 HG21 THR 45 2.354 -4.139 5.674 319 HG22 THR 45 HG22 THR 45 2.559 -2.924 6.938 320 HG23 THR 45 HG23 THR 45 3.602 -2.904 5.516 321 H CYS 46 H CYS 46 2.600 -0.084 3.056 322 HA CYS 46 HA CYS 46 5.488 -0.411 3.506 323 HB2 CYS 46 HB3 CYS 46 3.837 0.272 1.074 324 HB3 CYS 46 HB2 CYS 46 5.599 0.280 1.057 325 H GLY 47 H GLY 47 3.266 2.143 3.817 326 HA2 GLY 47 HA3 GLY 47 3.802 4.309 4.628 327 HA3 GLY 47 HA2 GLY 47 5.492 3.995 4.270 328 H PHE 48 H PHE 48 2.822 3.739 1.916 329 HA PHE 48 HA PHE 48 4.193 5.905 0.375 330 HB2 PHE 48 HB3 PHE 48 2.101 3.907 -0.547 331 HB3 PHE 48 HB2 PHE 48 2.925 5.082 -1.567 332 HD1 PHE 48 HD2 PHE 48 5.650 5.019 -1.116 333 HD2 PHE 48 HD1 PHE 48 2.892 1.753 -0.716 334 HE1 PHE 48 HE2 PHE 48 7.507 3.407 -1.450 335 HE2 PHE 48 HE1 PHE 48 4.744 0.147 -1.049 336 HZ PHE 48 HZ PHE 48 7.053 0.970 -1.414 337 H CYS 49 H CYS 49 1.504 5.152 2.277 338 HA CYS 49 HA CYS 49 0.314 7.792 1.661 339 HB2 CYS 49 HB3 CYS 49 -0.802 5.763 0.407 340 HB3 CYS 49 HB2 CYS 49 -1.514 5.437 1.985 341 H GLU 50 H GLU 50 -1.552 8.140 3.356 342 HA GLU 50 HA GLU 50 -0.416 7.353 5.988 343 HB2 GLU 50 HB3 GLU 50 -2.625 9.321 5.874 344 HB3 GLU 50 HB2 GLU 50 -1.102 9.391 6.761 345 HG2 GLU 50 HG3 GLU 50 -0.843 11.074 5.140 346 HG3 GLU 50 HG2 GLU 50 -0.013 9.697 4.418 347 HA PRO 51 HA PRO 51 -3.851 4.723 6.862 348 HB2 PRO 51 HB3 PRO 51 -4.195 5.154 9.552 349 HB3 PRO 51 HB2 PRO 51 -2.889 4.168 8.870 350 HG2 PRO 51 HG3 PRO 51 -2.825 6.945 9.904 351 HG3 PRO 51 HG2 PRO 51 -1.594 5.678 9.988 352 HD2 PRO 51 HD3 PRO 51 -1.500 7.779 8.212 353 HD3 PRO 51 HD2 PRO 51 -0.715 6.211 7.927 Start of MODEL 23 1 HA ASN 1 HA ASN 1 -26.127 14.439 -3.037 2 HB2 ASN 1 HB3 ASN 1 -27.696 16.327 -3.521 3 HB3 ASN 1 HB2 ASN 1 -28.219 16.280 -1.836 4 HD21 ASN 1 HD21 ASN 1 -25.455 17.019 -3.954 5 HD22 ASN 1 HD22 ASN 1 -24.569 17.868 -2.781 6 H ASP 2 H ASP 2 -26.179 12.393 -1.472 7 HA ASP 2 HA ASP 2 -26.786 12.874 1.311 8 HB2 ASP 2 HB3 ASP 2 -24.959 10.826 0.008 9 HB3 ASP 2 HB2 ASP 2 -25.461 10.802 1.700 10 H ILE 3 H ILE 3 -25.325 13.382 3.012 11 HA ILE 3 HA ILE 3 -23.119 15.116 2.237 12 HB ILE 3 HB ILE 3 -23.942 14.103 4.971 13 HG12 ILE 3 HG13 ILE 3 -24.510 16.768 3.644 14 HG13 ILE 3 HG12 ILE 3 -25.663 15.433 3.675 15 HG21 ILE 3 HG21 ILE 3 -21.796 15.879 3.971 16 HG22 ILE 3 HG22 ILE 3 -21.890 14.964 5.475 17 HG23 ILE 3 HG23 ILE 3 -22.719 16.514 5.334 18 HD11 ILE 3 HD11 ILE 3 -24.431 16.703 6.138 19 HD12 ILE 3 HD12 ILE 3 -25.661 15.439 6.117 20 HD13 ILE 3 HD13 ILE 3 -26.049 17.055 5.525 21 H ARG 4 H ARG 4 -23.324 11.861 2.260 22 HA ARG 4 HA ARG 4 -20.871 11.191 3.669 23 HB2 ARG 4 HB3 ARG 4 -22.479 9.629 1.625 24 HB3 ARG 4 HB2 ARG 4 -21.169 8.969 2.606 25 HG2 ARG 4 HG3 ARG 4 -22.446 9.635 4.658 26 HG3 ARG 4 HG2 ARG 4 -23.784 10.118 3.618 27 HD2 ARG 4 HD3 ARG 4 -22.601 7.339 3.863 28 HD3 ARG 4 HD2 ARG 4 -24.194 7.858 4.413 29 HE ARG 4 HE ARG 4 -23.681 8.218 1.539 30 HH11 ARG 4 HH21 ARG 4 -24.961 6.337 4.126 31 HH12 ARG 4 HH22 ARG 4 -25.987 5.386 3.106 32 HH21 ARG 4 HH11 ARG 4 -25.012 6.984 0.186 33 HH22 ARG 4 HH12 ARG 4 -26.014 5.753 0.875 34 H THR 5 H THR 5 -21.395 12.888 0.892 35 HA THR 5 HA THR 5 -19.206 11.739 -0.688 36 HB THR 5 HB THR 5 -21.404 12.992 -1.508 37 HG1 THR 5 HG1 THR 5 -20.194 13.555 -3.392 38 HG21 THR 5 HG21 THR 5 -19.430 15.273 -1.470 39 HG22 THR 5 HG22 THR 5 -20.601 15.053 -0.170 40 HG23 THR 5 HG23 THR 5 -21.157 15.325 -1.821 41 H ALA 6 H ALA 6 -19.296 13.536 2.036 42 HA ALA 6 HA ALA 6 -17.440 15.667 1.407 43 HB1 ALA 6 HB1 ALA 6 -17.142 15.241 4.099 44 HB2 ALA 6 HB2 ALA 6 -18.741 14.556 3.811 45 HB3 ALA 6 HB3 ALA 6 -18.412 16.236 3.386 46 H ALA 7 H ALA 7 -17.067 12.322 1.702 47 HA ALA 7 HA ALA 7 -14.505 12.142 2.964 48 HB1 ALA 7 HB1 ALA 7 -15.338 10.023 2.742 49 HB2 ALA 7 HB2 ALA 7 -14.472 10.064 1.204 50 HB3 ALA 7 HB3 ALA 7 -16.201 10.416 1.255 51 H ASP 8 H ASP 8 -12.441 12.400 2.130 52 HA ASP 8 HA ASP 8 -12.282 13.421 -0.676 53 HB2 ASP 8 HB3 ASP 8 -10.453 13.892 1.700 54 HB3 ASP 8 HB2 ASP 8 -10.167 14.511 0.072 55 H MET 9 H MET 9 -11.964 10.613 0.809 56 HA MET 9 HA MET 9 -10.620 8.712 0.529 57 HB2 MET 9 HB3 MET 9 -10.601 10.123 -2.114 58 HB3 MET 9 HB2 MET 9 -9.539 8.733 -1.893 59 HG2 MET 9 HG3 MET 9 -12.283 8.313 -0.899 60 HG3 MET 9 HG2 MET 9 -12.179 8.574 -2.641 61 HE1 MET 9 HE1 MET 9 -11.402 6.628 0.388 62 HE2 MET 9 HE2 MET 9 -9.687 6.746 0.002 63 HE3 MET 9 HE3 MET 9 -10.499 5.188 -0.100 64 H GLU 10 H GLU 10 -9.354 11.405 1.427 65 HA GLU 10 HA GLU 10 -6.588 11.249 0.534 66 HB2 GLU 10 HB3 GLU 10 -7.686 13.335 1.471 67 HB3 GLU 10 HB2 GLU 10 -7.648 12.559 3.056 68 HG2 GLU 10 HG3 GLU 10 -5.180 12.318 2.860 69 HG3 GLU 10 HG2 GLU 10 -5.238 13.168 1.315 70 H HIS 11 H HIS 11 -8.455 9.340 2.544 71 HA HIS 11 HA HIS 11 -6.147 8.595 4.261 72 HB2 HIS 11 HB3 HIS 11 -9.095 7.911 4.452 73 HB3 HIS 11 HB2 HIS 11 -7.858 7.337 5.572 74 HD1 HIS 11 HD1 HIS 11 -9.866 10.347 4.668 75 HD2 HIS 11 HD2 HIS 11 -6.715 9.406 7.234 76 HE1 HIS 11 HE1 HIS 11 -9.636 12.298 6.269 77 HE2 HIS 11 HE2 HIS 11 -7.722 11.736 7.835 78 H CYS 12 H CYS 12 -5.052 6.792 3.798 79 HA CYS 12 HA CYS 12 -6.245 4.848 1.871 80 HB2 CYS 12 HB3 CYS 12 -3.352 5.245 2.676 81 HB3 CYS 12 HB2 CYS 12 -3.936 4.152 1.424 82 H ALA 13 H ALA 13 -6.016 2.566 2.400 83 HA ALA 13 HA ALA 13 -5.244 2.021 5.228 84 HB1 ALA 13 HB1 ALA 13 -7.756 0.908 3.963 85 HB2 ALA 13 HB2 ALA 13 -7.746 2.348 4.982 86 HB3 ALA 13 HB3 ALA 13 -7.258 0.791 5.651 87 H ASP 14 H ASP 14 -4.546 -0.158 5.596 88 HA ASP 14 HA ASP 14 -3.324 -1.422 3.286 89 HB2 ASP 14 HB3 ASP 14 -3.660 -2.395 6.144 90 HB3 ASP 14 HB2 ASP 14 -2.649 -3.174 4.925 91 H GLU 15 H GLU 15 -4.059 -3.208 2.139 92 HA GLU 15 HA GLU 15 -6.833 -3.792 2.084 93 HB2 GLU 15 HB3 GLU 15 -4.391 -4.913 0.884 94 HB3 GLU 15 HB2 GLU 15 -5.677 -6.095 1.105 95 HG2 GLU 15 HG3 GLU 15 -5.679 -4.770 -1.105 96 HG3 GLU 15 HG2 GLU 15 -7.201 -4.861 -0.224 97 H LYS 16 H LYS 16 -8.084 -5.310 3.126 98 HA LYS 16 HA LYS 16 -6.942 -6.507 5.557 99 HB2 LYS 16 HB3 LYS 16 -9.243 -7.058 6.104 100 HB3 LYS 16 HB2 LYS 16 -9.187 -5.396 5.517 101 HG2 LYS 16 HG3 LYS 16 -9.794 -6.241 3.237 102 HG3 LYS 16 HG2 LYS 16 -10.001 -7.849 3.932 103 HD2 LYS 16 HD3 LYS 16 -11.636 -6.805 5.569 104 HD3 LYS 16 HD2 LYS 16 -11.565 -5.346 4.582 105 HE2 LYS 16 HE3 LYS 16 -12.278 -6.657 2.607 106 HE3 LYS 16 HE2 LYS 16 -12.383 -8.099 3.616 107 HZ1 LYS 16 HZ1 LYS 16 -13.850 -6.403 5.033 108 HZ2 LYS 16 HZ2 LYS 16 -14.501 -7.422 3.837 109 HZ3 LYS 16 HZ3 LYS 16 -14.148 -5.800 3.476 110 H ASN 17 H ASN 17 -7.901 -7.492 2.354 111 HA ASN 17 HA ASN 17 -7.879 -10.355 3.067 112 HB2 ASN 17 HB3 ASN 17 -8.160 -8.986 0.373 113 HB3 ASN 17 HB2 ASN 17 -8.437 -10.698 0.695 114 HD21 ASN 17 HD21 ASN 17 -10.139 -7.921 0.220 115 HD22 ASN 17 HD22 ASN 17 -11.492 -8.228 1.198 116 H PHE 18 H PHE 18 -5.558 -8.057 2.465 117 HA PHE 18 HA PHE 18 -3.724 -10.062 1.211 118 HB2 PHE 18 HB3 PHE 18 -4.081 -7.921 -0.060 119 HB3 PHE 18 HB2 PHE 18 -3.392 -7.049 1.308 120 HD1 PHE 18 HD1 PHE 18 -1.018 -7.286 1.898 121 HD2 PHE 18 HD2 PHE 18 -2.690 -9.314 -1.498 122 HE1 PHE 18 HE1 PHE 18 1.264 -7.734 1.041 123 HE2 PHE 18 HE2 PHE 18 -0.406 -9.767 -2.352 124 HZ PHE 18 HZ PHE 18 1.572 -8.976 -1.082 125 H ASP 19 H ASP 19 -2.084 -10.794 2.476 126 HA ASP 19 HA ASP 19 -1.823 -9.793 5.207 127 HB2 ASP 19 HB3 ASP 19 0.005 -11.519 5.338 128 HB3 ASP 19 HB2 ASP 19 -1.550 -12.170 4.818 129 H CYS 20 H CYS 20 -1.160 -7.600 4.770 130 HA CYS 20 HA CYS 20 1.177 -6.948 3.221 131 HB2 CYS 20 HB3 CYS 20 0.031 -5.350 5.525 132 HB3 CYS 20 HB2 CYS 20 0.944 -4.743 4.142 133 H ARG 21 H ARG 21 0.629 -7.784 6.591 134 HA ARG 21 HA ARG 21 3.132 -6.998 7.672 135 HB2 ARG 21 HB3 ARG 21 1.017 -7.922 8.844 136 HB3 ARG 21 HB2 ARG 21 1.673 -9.515 8.477 137 HG2 ARG 21 HG3 ARG 21 3.288 -7.392 9.900 138 HG3 ARG 21 HG2 ARG 21 2.276 -8.545 10.768 139 HD2 ARG 21 HD3 ARG 21 3.545 -10.364 9.430 140 HD3 ARG 21 HD2 ARG 21 4.715 -9.090 9.085 141 HE ARG 21 HE ARG 21 4.412 -10.441 11.617 142 HH11 ARG 21 HH21 ARG 21 5.128 -7.459 10.044 143 HH12 ARG 21 HH22 ARG 21 6.044 -6.825 11.370 144 HH21 ARG 21 HH11 ARG 21 5.596 -9.627 13.363 145 HH22 ARG 21 HH12 ARG 21 6.307 -8.051 13.252 146 H ARG 22 H ARG 22 2.124 -10.026 6.095 147 HA ARG 22 HA ARG 22 4.682 -11.316 6.379 148 HB2 ARG 22 HB3 ARG 22 3.046 -12.873 5.909 149 HB3 ARG 22 HB2 ARG 22 2.188 -11.793 4.813 150 HG2 ARG 22 HG3 ARG 22 3.799 -12.135 3.071 151 HG3 ARG 22 HG2 ARG 22 4.894 -12.967 4.173 152 HD2 ARG 22 HD3 ARG 22 2.152 -13.948 3.352 153 HD3 ARG 22 HD2 ARG 22 3.680 -14.574 2.740 154 HE ARG 22 HE ARG 22 2.539 -15.092 5.398 155 HH11 ARG 22 HH21 ARG 22 5.283 -15.090 3.304 156 HH12 ARG 22 HH22 ARG 22 6.169 -16.238 4.251 157 HH21 ARG 22 HH11 ARG 22 3.681 -16.582 6.642 158 HH22 ARG 22 HH12 ARG 22 5.261 -17.082 6.141 159 H SER 23 H SER 23 3.135 -9.575 3.689 160 HA SER 23 HA SER 23 5.349 -9.804 1.883 161 HB2 SER 23 HB3 SER 23 4.211 -8.128 0.583 162 HB3 SER 23 HB2 SER 23 2.967 -9.131 1.322 163 HG SER 23 HG SER 23 3.952 -6.733 2.472 164 H LEU 24 H LEU 24 4.501 -7.456 4.393 165 HA LEU 24 HA LEU 24 6.489 -5.502 3.751 166 HB2 LEU 24 HB3 LEU 24 4.635 -5.046 5.301 167 HB3 LEU 24 HB2 LEU 24 5.298 -6.211 6.445 168 HG LEU 24 HG LEU 24 7.445 -4.828 6.405 169 HD11 LEU 24 HD11 LEU 24 6.882 -2.364 5.797 170 HD12 LEU 24 HD12 LEU 24 5.579 -3.060 4.835 171 HD13 LEU 24 HD13 LEU 24 7.257 -3.484 4.491 172 HD21 LEU 24 HD21 LEU 24 5.860 -4.750 8.280 173 HD22 LEU 24 HD22 LEU 24 4.899 -3.538 7.434 174 HD23 LEU 24 HD23 LEU 24 6.532 -3.149 7.977 175 H ARG 25 H ARG 25 6.576 -8.182 6.138 176 HA ARG 25 HA ARG 25 9.316 -7.692 6.867 177 HB2 ARG 25 HB3 ARG 25 9.238 -9.869 7.964 178 HB3 ARG 25 HB2 ARG 25 7.732 -9.006 8.283 179 HG2 ARG 25 HG3 ARG 25 6.702 -10.233 6.351 180 HG3 ARG 25 HG2 ARG 25 8.176 -11.191 6.230 181 HD2 ARG 25 HD3 ARG 25 7.853 -11.894 8.608 182 HD3 ARG 25 HD2 ARG 25 6.315 -11.031 8.618 183 HE ARG 25 HE ARG 25 5.382 -12.812 7.384 184 HH11 ARG 25 HH21 ARG 25 8.825 -12.797 7.247 185 HH12 ARG 25 HH22 ARG 25 8.932 -14.309 6.410 186 HH21 ARG 25 HH11 ARG 25 5.501 -14.784 6.287 187 HH22 ARG 25 HH12 ARG 25 7.049 -15.434 5.864 188 H ASN 26 H ASN 26 7.810 -9.281 4.201 189 HA ASN 26 HA ASN 26 10.150 -10.879 3.481 190 HB2 ASN 26 HB3 ASN 26 7.613 -10.149 1.996 191 HB3 ASN 26 HB2 ASN 26 8.858 -11.216 1.343 192 HD21 ASN 26 HD21 ASN 26 6.105 -12.028 1.994 193 HD22 ASN 26 HD22 ASN 26 6.223 -13.207 3.209 194 H GLY 27 H GLY 27 9.516 -7.633 3.417 195 HA2 GLY 27 HA3 GLY 27 10.871 -5.920 2.498 196 HA3 GLY 27 HA2 GLY 27 11.721 -7.144 1.551 197 H ASP 28 H ASP 28 8.264 -7.168 1.461 198 HA ASP 28 HA ASP 28 8.151 -6.921 -1.365 199 HB2 ASP 28 HB3 ASP 28 6.349 -7.868 0.110 200 HB3 ASP 28 HB2 ASP 28 5.944 -6.218 0.590 201 H CYS 29 H CYS 29 7.837 -4.483 1.200 202 HA CYS 29 HA CYS 29 7.125 -2.304 -0.545 203 HB2 CYS 29 HB3 CYS 29 8.655 -2.141 2.070 204 HB3 CYS 29 HB2 CYS 29 7.712 -0.859 1.315 205 H ASP 30 H ASP 30 10.052 -4.011 0.025 206 HA ASP 30 HA ASP 30 11.719 -1.814 -1.081 207 HB2 ASP 30 HB3 ASP 30 12.388 -4.474 0.194 208 HB3 ASP 30 HB2 ASP 30 13.604 -3.436 -0.551 209 H ASN 31 H ASN 31 9.891 -4.317 -2.257 210 HA ASN 31 HA ASN 31 11.810 -5.060 -4.397 211 HB2 ASN 31 HB3 ASN 31 10.379 -6.775 -3.174 212 HB3 ASN 31 HB2 ASN 31 8.986 -6.063 -3.983 213 HD21 ASN 31 HD21 ASN 31 9.314 -8.634 -4.667 214 HD22 ASN 31 HD22 ASN 31 10.044 -8.813 -6.188 215 H ASP 32 H ASP 32 11.827 -3.687 -6.112 216 HA ASP 32 HA ASP 32 9.868 -1.734 -6.674 217 HB2 ASP 32 HB3 ASP 32 11.855 -3.093 -8.511 218 HB3 ASP 32 HB2 ASP 32 10.883 -1.699 -8.985 219 H ASP 33 H ASP 33 10.078 -5.099 -7.670 220 HA ASP 33 HA ASP 33 8.017 -4.987 -9.671 221 HB2 ASP 33 HB3 ASP 33 9.623 -6.873 -9.465 222 HB3 ASP 33 HB2 ASP 33 8.851 -7.336 -7.946 223 H LYS 34 H LYS 34 7.932 -5.110 -6.183 224 HA LYS 34 HA LYS 34 5.001 -5.661 -6.310 225 HB2 LYS 34 HB3 LYS 34 6.765 -5.731 -3.856 226 HB3 LYS 34 HB2 LYS 34 5.139 -6.390 -4.035 227 HG2 LYS 34 HG3 LYS 34 6.113 -7.883 -5.882 228 HG3 LYS 34 HG2 LYS 34 7.698 -7.394 -5.284 229 HD2 LYS 34 HD3 LYS 34 7.018 -8.169 -2.998 230 HD3 LYS 34 HD2 LYS 34 5.526 -8.791 -3.701 231 HE2 LYS 34 HE3 LYS 34 7.265 -9.952 -5.380 232 HE3 LYS 34 HE2 LYS 34 8.311 -9.814 -3.966 233 HZ1 LYS 34 HZ1 LYS 34 6.697 -10.971 -2.649 234 HZ2 LYS 34 HZ2 LYS 34 7.042 -11.903 -4.027 235 HZ3 LYS 34 HZ3 LYS 34 5.597 -11.014 -3.939 236 H LEU 35 H LEU 35 7.188 -3.142 -6.028 237 HA LEU 35 HA LEU 35 6.182 -1.511 -3.981 238 HB2 LEU 35 HB3 LEU 35 7.433 -0.968 -6.646 239 HB3 LEU 35 HB2 LEU 35 6.741 0.385 -5.756 240 HG LEU 35 HG LEU 35 8.812 -1.548 -4.670 241 HD11 LEU 35 HD11 LEU 35 9.279 0.411 -6.484 242 HD12 LEU 35 HD12 LEU 35 10.435 -0.025 -5.222 243 HD13 LEU 35 HD13 LEU 35 9.361 1.357 -4.998 244 HD21 LEU 35 HD21 LEU 35 7.931 -0.812 -2.700 245 HD22 LEU 35 HD22 LEU 35 7.091 0.532 -3.472 246 HD23 LEU 35 HD23 LEU 35 8.800 0.680 -3.064 247 H LEU 36 H LEU 36 5.012 -1.814 -7.336 248 HA LEU 36 HA LEU 36 2.850 0.054 -7.006 249 HB2 LEU 36 HB3 LEU 36 3.731 -0.706 -9.224 250 HB3 LEU 36 HB2 LEU 36 3.018 -2.292 -8.921 251 HG LEU 36 HG LEU 36 1.184 0.003 -8.544 252 HD11 LEU 36 HD11 LEU 36 2.136 0.920 -10.488 253 HD12 LEU 36 HD12 LEU 36 0.815 -0.061 -11.123 254 HD13 LEU 36 HD13 LEU 36 2.471 -0.665 -11.184 255 HD21 LEU 36 HD21 LEU 36 0.806 -2.622 -8.572 256 HD22 LEU 36 HD22 LEU 36 0.726 -2.375 -10.316 257 HD23 LEU 36 HD23 LEU 36 -0.407 -1.540 -9.254 258 H GLU 37 H GLU 37 3.115 -3.466 -6.614 259 HA GLU 37 HA GLU 37 0.352 -3.989 -6.166 260 HB2 GLU 37 HB3 GLU 37 2.770 -5.381 -4.971 261 HB3 GLU 37 HB2 GLU 37 1.132 -6.032 -5.009 262 HG2 GLU 37 HG3 GLU 37 2.754 -5.284 -7.460 263 HG3 GLU 37 HG2 GLU 37 2.538 -6.927 -6.855 264 H MET 38 H MET 38 2.934 -2.952 -3.970 265 HA MET 38 HA MET 38 1.326 -3.139 -1.573 266 HB2 MET 38 HB3 MET 38 3.803 -1.525 -2.209 267 HB3 MET 38 HB2 MET 38 3.106 -1.690 -0.600 268 HG2 MET 38 HG3 MET 38 4.006 -4.007 -2.323 269 HG3 MET 38 HG2 MET 38 4.975 -3.300 -1.033 270 HE1 MET 38 HE1 MET 38 1.586 -5.347 -1.822 271 HE2 MET 38 HE2 MET 38 2.159 -6.630 -0.759 272 HE3 MET 38 HE3 MET 38 3.213 -6.011 -2.025 273 H GLY 39 H GLY 39 2.214 -0.425 -3.716 274 HA2 GLY 39 HA3 GLY 39 0.834 1.606 -2.300 275 HA3 GLY 39 HA2 GLY 39 1.121 1.633 -4.043 276 H TYR 40 H TYR 40 -0.238 -1.042 -4.211 277 HA TYR 40 HA TYR 40 -2.990 0.018 -4.438 278 HB2 TYR 40 HB3 TYR 40 -2.052 -1.093 -6.403 279 HB3 TYR 40 HB2 TYR 40 -1.707 -2.535 -5.449 280 HD1 TYR 40 HD1 TYR 40 -3.576 -3.863 -4.472 281 HD2 TYR 40 HD2 TYR 40 -4.259 -0.648 -7.231 282 HE1 TYR 40 HE1 TYR 40 -5.864 -4.712 -4.888 283 HE2 TYR 40 HE2 TYR 40 -6.554 -1.493 -7.648 284 HH TYR 40 HH TYR 40 -8.059 -3.761 -5.674 285 H TYR 41 H TYR 41 -1.453 -3.012 -3.275 286 HA TYR 41 HA TYR 41 -3.837 -3.743 -1.783 287 HB2 TYR 41 HB3 TYR 41 -1.069 -4.920 -1.999 288 HB3 TYR 41 HB2 TYR 41 -2.274 -5.573 -0.893 289 HD1 TYR 41 HD1 TYR 41 -4.450 -6.438 -1.795 290 HD2 TYR 41 HD2 TYR 41 -1.195 -5.314 -4.360 291 HE1 TYR 41 HE1 TYR 41 -5.489 -7.695 -3.662 292 HE2 TYR 41 HE2 TYR 41 -2.237 -6.572 -6.226 293 HH TYR 41 HH TYR 41 -4.541 -8.843 -5.851 294 H CYS 42 H CYS 42 -0.563 -2.611 -0.835 295 HA CYS 42 HA CYS 42 -1.783 -1.844 1.767 296 HB2 CYS 42 HB3 CYS 42 0.983 -3.016 1.634 297 HB3 CYS 42 HB2 CYS 42 -0.074 -2.832 3.031 298 HA PRO 43 HA PRO 43 0.748 1.599 -0.111 299 HB2 PRO 43 HB3 PRO 43 -1.100 3.558 0.357 300 HB3 PRO 43 HB2 PRO 43 -1.112 2.552 -1.104 301 HG2 PRO 43 HG3 PRO 43 -2.721 2.270 1.395 302 HG3 PRO 43 HG2 PRO 43 -3.243 2.139 -0.294 303 HD2 PRO 43 HD3 PRO 43 -2.766 -0.055 1.214 304 HD3 PRO 43 HD2 PRO 43 -2.399 -0.025 -0.526 305 H VAL 44 H VAL 44 -1.185 1.440 2.858 306 HA VAL 44 HA VAL 44 0.412 3.472 4.218 307 HB VAL 44 HB VAL 44 -1.544 1.438 5.327 308 HG11 VAL 44 HG11 VAL 44 0.032 2.276 7.021 309 HG12 VAL 44 HG12 VAL 44 -1.582 2.928 7.298 310 HG13 VAL 44 HG13 VAL 44 -0.340 3.934 6.554 311 HG21 VAL 44 HG21 VAL 44 -2.199 3.401 3.627 312 HG22 VAL 44 HG22 VAL 44 -2.130 4.356 5.108 313 HG23 VAL 44 HG23 VAL 44 -3.228 2.982 4.995 314 H THR 45 H THR 45 0.162 -0.079 4.292 315 HA THR 45 HA THR 45 2.007 -0.626 6.347 316 HB THR 45 HB THR 45 1.667 -2.193 3.784 317 HG1 THR 45 HG1 THR 45 0.055 -3.277 4.951 318 HG21 THR 45 HG21 THR 45 2.071 -3.707 6.218 319 HG22 THR 45 HG22 THR 45 3.397 -2.572 5.953 320 HG23 THR 45 HG23 THR 45 2.982 -3.750 4.707 321 H CYS 46 H CYS 46 2.628 0.001 2.891 322 HA CYS 46 HA CYS 46 5.516 -0.332 3.346 323 HB2 CYS 46 HB3 CYS 46 3.859 0.325 0.907 324 HB3 CYS 46 HB2 CYS 46 5.622 0.341 0.887 325 H GLY 47 H GLY 47 3.400 2.137 3.958 326 HA2 GLY 47 HA3 GLY 47 3.900 4.334 4.648 327 HA3 GLY 47 HA2 GLY 47 5.586 4.033 4.240 328 H PHE 48 H PHE 48 2.875 3.677 1.975 329 HA PHE 48 HA PHE 48 4.116 5.862 0.359 330 HB2 PHE 48 HB3 PHE 48 2.118 3.747 -0.506 331 HB3 PHE 48 HB2 PHE 48 2.939 4.899 -1.555 332 HD1 PHE 48 HD1 PHE 48 5.626 4.644 0.169 333 HD2 PHE 48 HD2 PHE 48 3.020 1.852 -1.801 334 HE1 PHE 48 HE1 PHE 48 7.512 3.069 -0.095 335 HE2 PHE 48 HE2 PHE 48 4.916 0.282 -2.066 336 HZ PHE 48 HZ PHE 48 7.161 0.887 -1.212 337 H CYS 49 H CYS 49 1.569 5.129 2.399 338 HA CYS 49 HA CYS 49 0.285 7.691 1.759 339 HB2 CYS 49 HB3 CYS 49 -0.784 5.755 0.366 340 HB3 CYS 49 HB2 CYS 49 -1.510 5.290 1.905 341 H GLU 50 H GLU 50 -1.673 7.926 3.398 342 HA GLU 50 HA GLU 50 -0.633 6.995 6.031 343 HB2 GLU 50 HB3 GLU 50 -1.993 8.917 6.932 344 HB3 GLU 50 HB2 GLU 50 -0.681 9.406 5.857 345 HG2 GLU 50 HG3 GLU 50 -3.351 8.844 4.635 346 HG3 GLU 50 HG2 GLU 50 -3.154 10.350 5.531 347 HA PRO 51 HA PRO 51 -4.113 4.396 6.780 348 HB2 PRO 51 HB3 PRO 51 -4.515 5.845 9.350 349 HB3 PRO 51 HB2 PRO 51 -4.282 4.111 9.054 350 HG2 PRO 51 HG3 PRO 51 -2.355 5.686 10.069 351 HG3 PRO 51 HG2 PRO 51 -2.011 4.281 9.049 352 HD2 PRO 51 HD3 PRO 51 -1.798 7.169 8.393 353 HD3 PRO 51 HD2 PRO 51 -0.949 5.779 7.684 Start of MODEL 24 1 HA ASN 1 HA ASN 1 -2.048 23.727 -1.819 2 HB2 ASN 1 HB3 ASN 1 0.199 22.910 -0.966 3 HB3 ASN 1 HB2 ASN 1 0.261 21.843 -2.373 4 HD21 ASN 1 HD21 ASN 1 -0.041 25.310 -1.479 5 HD22 ASN 1 HD22 ASN 1 0.641 25.900 -2.916 6 H ASP 2 H ASP 2 -1.486 20.442 -3.116 7 HA ASP 2 HA ASP 2 -1.949 21.210 -5.858 8 HB2 ASP 2 HB3 ASP 2 -2.063 18.517 -4.467 9 HB3 ASP 2 HB2 ASP 2 -2.206 18.727 -6.214 10 H ILE 3 H ILE 3 -3.856 21.150 -7.061 11 HA ILE 3 HA ILE 3 -6.342 21.305 -5.555 12 HB ILE 3 HB ILE 3 -5.898 21.224 -8.554 13 HG12 ILE 3 HG13 ILE 3 -6.292 23.584 -6.683 14 HG13 ILE 3 HG12 ILE 3 -4.737 23.097 -7.359 15 HG21 ILE 3 HG21 ILE 3 -8.268 21.481 -6.792 16 HG22 ILE 3 HG22 ILE 3 -8.160 20.911 -8.457 17 HG23 ILE 3 HG23 ILE 3 -8.183 22.641 -8.117 18 HD11 ILE 3 HD11 ILE 3 -7.112 24.298 -8.742 19 HD12 ILE 3 HD12 ILE 3 -6.032 23.244 -9.655 20 HD13 ILE 3 HD13 ILE 3 -5.405 24.710 -8.901 21 H ARG 4 H ARG 4 -4.548 18.692 -6.543 22 HA ARG 4 HA ARG 4 -6.759 17.001 -7.455 23 HB2 ARG 4 HB3 ARG 4 -3.971 16.207 -6.546 24 HB3 ARG 4 HB2 ARG 4 -5.110 15.185 -7.420 25 HG2 ARG 4 HG3 ARG 4 -4.042 17.809 -8.498 26 HG3 ARG 4 HG2 ARG 4 -3.341 16.236 -8.878 27 HD2 ARG 4 HD3 ARG 4 -5.621 15.520 -9.707 28 HD3 ARG 4 HD2 ARG 4 -6.145 17.192 -9.518 29 HE ARG 4 HE ARG 4 -3.802 17.272 -11.079 30 HH11 ARG 4 HH21 ARG 4 -6.977 15.934 -11.171 31 HH12 ARG 4 HH22 ARG 4 -7.096 15.996 -12.898 32 HH21 ARG 4 HH11 ARG 4 -3.938 17.357 -13.332 33 HH22 ARG 4 HH12 ARG 4 -5.377 16.802 -14.123 34 H THR 5 H THR 5 -6.141 18.318 -4.561 35 HA THR 5 HA THR 5 -6.436 15.972 -2.843 36 HB THR 5 HB THR 5 -5.307 18.263 -2.300 37 HG1 THR 5 HG1 THR 5 -6.696 17.907 -0.114 38 HG21 THR 5 HG21 THR 5 -7.618 19.363 -2.954 39 HG22 THR 5 HG22 THR 5 -6.663 20.031 -1.630 40 HG23 THR 5 HG23 THR 5 -8.036 18.976 -1.284 41 H ALA 6 H ALA 6 -8.541 17.528 -4.857 42 HA ALA 6 HA ALA 6 -10.873 17.857 -3.210 43 HB1 ALA 6 HB1 ALA 6 -12.093 18.043 -5.256 44 HB2 ALA 6 HB2 ALA 6 -10.875 17.125 -6.144 45 HB3 ALA 6 HB3 ALA 6 -10.510 18.752 -5.571 46 H ALA 7 H ALA 7 -9.364 15.078 -4.691 47 HA ALA 7 HA ALA 7 -11.628 13.316 -4.635 48 HB1 ALA 7 HB1 ALA 7 -9.070 12.006 -4.108 49 HB2 ALA 7 HB2 ALA 7 -8.972 13.145 -5.450 50 HB3 ALA 7 HB3 ALA 7 -10.149 11.833 -5.493 51 H ASP 8 H ASP 8 -12.259 11.810 -3.018 52 HA ASP 8 HA ASP 8 -11.537 12.618 -0.267 53 HB2 ASP 8 HB3 ASP 8 -13.573 10.639 -1.342 54 HB3 ASP 8 HB2 ASP 8 -13.346 10.998 0.371 55 H MET 9 H MET 9 -10.068 10.813 -2.432 56 HA MET 9 HA MET 9 -9.663 8.330 -0.958 57 HB2 MET 9 HB3 MET 9 -8.447 9.547 -3.436 58 HB3 MET 9 HB2 MET 9 -7.811 8.058 -2.738 59 HG2 MET 9 HG3 MET 9 -10.728 8.041 -2.972 60 HG3 MET 9 HG2 MET 9 -9.920 8.223 -4.530 61 HE1 MET 9 HE1 MET 9 -10.267 6.274 -1.273 62 HE2 MET 9 HE2 MET 9 -8.519 6.514 -1.290 63 HE3 MET 9 HE3 MET 9 -9.181 4.889 -1.452 64 H GLU 10 H GLU 10 -8.888 11.143 0.072 65 HA GLU 10 HA GLU 10 -6.033 11.192 0.311 66 HB2 GLU 10 HB3 GLU 10 -7.552 13.134 0.734 67 HB3 GLU 10 HB2 GLU 10 -8.096 12.339 2.210 68 HG2 GLU 10 HG3 GLU 10 -6.356 13.908 2.801 69 HG3 GLU 10 HG2 GLU 10 -5.705 12.283 2.978 70 H HIS 11 H HIS 11 -8.452 9.249 1.772 71 HA HIS 11 HA HIS 11 -6.656 8.527 4.027 72 HB2 HIS 11 HB3 HIS 11 -9.522 7.717 3.455 73 HB3 HIS 11 HB2 HIS 11 -8.610 7.302 4.903 74 HD1 HIS 11 HD1 HIS 11 -10.487 10.077 3.287 75 HD2 HIS 11 HD2 HIS 11 -8.055 9.560 6.636 76 HE1 HIS 11 HE1 HIS 11 -10.797 12.143 4.722 77 HE2 HIS 11 HE2 HIS 11 -9.321 11.840 6.761 78 H CYS 12 H CYS 12 -5.314 6.856 3.680 79 HA CYS 12 HA CYS 12 -6.097 4.787 1.672 80 HB2 CYS 12 HB3 CYS 12 -3.357 5.451 2.795 81 HB3 CYS 12 HB2 CYS 12 -3.699 4.289 1.515 82 H ALA 13 H ALA 13 -5.968 2.580 2.303 83 HA ALA 13 HA ALA 13 -5.333 2.068 5.169 84 HB1 ALA 13 HB1 ALA 13 -7.355 0.994 5.617 85 HB2 ALA 13 HB2 ALA 13 -7.708 0.730 3.908 86 HB3 ALA 13 HB3 ALA 13 -7.881 2.341 4.606 87 H ASP 14 H ASP 14 -4.692 -0.136 5.582 88 HA ASP 14 HA ASP 14 -3.381 -1.365 3.291 89 HB2 ASP 14 HB3 ASP 14 -2.624 -3.060 4.922 90 HB3 ASP 14 HB2 ASP 14 -2.343 -1.427 5.527 91 H GLU 15 H GLU 15 -4.005 -3.248 2.227 92 HA GLU 15 HA GLU 15 -6.804 -3.836 2.142 93 HB2 GLU 15 HB3 GLU 15 -4.352 -4.848 0.869 94 HB3 GLU 15 HB2 GLU 15 -5.620 -6.061 1.050 95 HG2 GLU 15 HG3 GLU 15 -5.697 -4.664 -1.094 96 HG3 GLU 15 HG2 GLU 15 -7.193 -4.751 -0.164 97 H LYS 16 H LYS 16 -8.013 -5.373 3.167 98 HA LYS 16 HA LYS 16 -6.824 -6.680 5.512 99 HB2 LYS 16 HB3 LYS 16 -9.118 -7.326 6.033 100 HB3 LYS 16 HB2 LYS 16 -9.081 -5.620 5.587 101 HG2 LYS 16 HG3 LYS 16 -9.718 -6.258 3.257 102 HG3 LYS 16 HG2 LYS 16 -9.868 -7.931 3.790 103 HD2 LYS 16 HD3 LYS 16 -11.504 -7.081 5.555 104 HD3 LYS 16 HD2 LYS 16 -11.500 -5.550 4.684 105 HE2 LYS 16 HE3 LYS 16 -13.375 -6.981 3.951 106 HE3 LYS 16 HE2 LYS 16 -12.238 -6.697 2.636 107 HZ1 LYS 16 HZ1 LYS 16 -12.987 -9.054 2.942 108 HZ2 LYS 16 HZ2 LYS 16 -12.105 -9.076 4.394 109 HZ3 LYS 16 HZ3 LYS 16 -11.307 -8.827 2.915 110 H ASN 17 H ASN 17 -7.973 -7.566 2.310 111 HA ASN 17 HA ASN 17 -7.859 -10.439 2.884 112 HB2 ASN 17 HB3 ASN 17 -8.160 -8.953 0.257 113 HB3 ASN 17 HB2 ASN 17 -8.415 -10.683 0.495 114 HD21 ASN 17 HD21 ASN 17 -10.131 -7.866 0.225 115 HD22 ASN 17 HD22 ASN 17 -11.478 -8.252 1.185 116 H PHE 18 H PHE 18 -5.553 -8.094 2.289 117 HA PHE 18 HA PHE 18 -3.713 -10.083 1.026 118 HB2 PHE 18 HB3 PHE 18 -4.063 -7.960 -0.253 119 HB3 PHE 18 HB2 PHE 18 -3.425 -7.065 1.125 120 HD1 PHE 18 HD1 PHE 18 -1.054 -7.237 1.759 121 HD2 PHE 18 HD2 PHE 18 -2.620 -9.338 -1.644 122 HE1 PHE 18 HE1 PHE 18 1.251 -7.641 0.950 123 HE2 PHE 18 HE2 PHE 18 -0.310 -9.747 -2.453 124 HZ PHE 18 HZ PHE 18 1.627 -8.897 -1.158 125 H ASP 19 H ASP 19 -2.000 -10.755 2.235 126 HA ASP 19 HA ASP 19 -1.790 -9.821 5.002 127 HB2 ASP 19 HB3 ASP 19 -0.162 -11.842 3.429 128 HB3 ASP 19 HB2 ASP 19 -0.003 -11.548 5.163 129 H CYS 20 H CYS 20 -1.092 -7.627 4.712 130 HA CYS 20 HA CYS 20 1.251 -6.932 3.171 131 HB2 CYS 20 HB3 CYS 20 0.123 -5.389 5.516 132 HB3 CYS 20 HB2 CYS 20 1.006 -4.753 4.126 133 H ARG 21 H ARG 21 0.681 -7.726 6.569 134 HA ARG 21 HA ARG 21 3.199 -7.045 7.652 135 HB2 ARG 21 HB3 ARG 21 1.053 -7.981 8.790 136 HB3 ARG 21 HB2 ARG 21 1.716 -9.567 8.402 137 HG2 ARG 21 HG3 ARG 21 3.365 -7.492 9.848 138 HG3 ARG 21 HG2 ARG 21 2.278 -8.572 10.720 139 HD2 ARG 21 HD3 ARG 21 3.446 -10.504 9.538 140 HD3 ARG 21 HD2 ARG 21 4.654 -9.332 9.014 141 HE ARG 21 HE ARG 21 5.466 -9.218 11.233 142 HH11 ARG 21 HH21 ARG 21 2.428 -10.843 11.010 143 HH12 ARG 21 HH22 ARG 21 2.483 -11.445 12.633 144 HH21 ARG 21 HH11 ARG 21 5.546 -9.985 13.352 145 HH22 ARG 21 HH12 ARG 21 4.250 -10.963 13.957 146 H ARG 22 H ARG 22 2.125 -9.975 5.975 147 HA ARG 22 HA ARG 22 4.642 -11.358 6.207 148 HB2 ARG 22 HB3 ARG 22 2.905 -12.817 5.713 149 HB3 ARG 22 HB2 ARG 22 2.142 -11.679 4.598 150 HG2 ARG 22 HG3 ARG 22 3.695 -12.126 2.881 151 HG3 ARG 22 HG2 ARG 22 4.831 -12.887 3.996 152 HD2 ARG 22 HD3 ARG 22 3.302 -14.761 4.327 153 HD3 ARG 22 HD2 ARG 22 2.097 -13.987 3.298 154 HE ARG 22 HE ARG 22 3.302 -14.757 1.424 155 HH11 ARG 22 HH21 ARG 22 5.244 -14.718 4.276 156 HH12 ARG 22 HH22 ARG 22 6.580 -15.536 3.537 157 HH21 ARG 22 HH11 ARG 22 5.030 -15.837 0.448 158 HH22 ARG 22 HH12 ARG 22 6.456 -16.176 1.373 159 H SER 23 H SER 23 3.117 -9.494 3.585 160 HA SER 23 HA SER 23 5.330 -9.728 1.774 161 HB2 SER 23 HB3 SER 23 4.213 -7.997 0.503 162 HB3 SER 23 HB2 SER 23 2.973 -9.049 1.180 163 HG SER 23 HG SER 23 3.754 -6.455 1.952 164 H LEU 24 H LEU 24 4.555 -7.454 4.366 165 HA LEU 24 HA LEU 24 6.566 -5.494 3.744 166 HB2 LEU 24 HB3 LEU 24 4.685 -5.033 5.275 167 HB3 LEU 24 HB2 LEU 24 5.323 -6.213 6.418 168 HG LEU 24 HG LEU 24 7.491 -4.826 6.389 169 HD11 LEU 24 HD11 LEU 24 5.583 -3.023 4.912 170 HD12 LEU 24 HD12 LEU 24 7.260 -3.416 4.528 171 HD13 LEU 24 HD13 LEU 24 6.895 -2.346 5.877 172 HD21 LEU 24 HD21 LEU 24 6.269 -4.677 8.380 173 HD22 LEU 24 HD22 LEU 24 4.871 -3.952 7.586 174 HD23 LEU 24 HD23 LEU 24 6.328 -2.996 7.857 175 H ARG 25 H ARG 25 6.569 -8.199 6.102 176 HA ARG 25 HA ARG 25 9.297 -7.772 6.892 177 HB2 ARG 25 HB3 ARG 25 9.157 -9.988 7.926 178 HB3 ARG 25 HB2 ARG 25 7.666 -9.101 8.240 179 HG2 ARG 25 HG3 ARG 25 6.654 -10.242 6.243 180 HG3 ARG 25 HG2 ARG 25 8.107 -11.235 6.135 181 HD2 ARG 25 HD3 ARG 25 7.691 -12.003 8.484 182 HD3 ARG 25 HD2 ARG 25 6.179 -11.095 8.474 183 HE ARG 25 HE ARG 25 5.240 -12.882 7.268 184 HH11 ARG 25 HH21 ARG 25 8.657 -12.726 6.860 185 HH12 ARG 25 HH22 ARG 25 8.731 -14.108 5.815 186 HH21 ARG 25 HH11 ARG 25 5.316 -14.686 5.891 187 HH22 ARG 25 HH12 ARG 25 6.843 -15.213 5.268 188 H ASN 26 H ASN 26 7.812 -9.344 4.188 189 HA ASN 26 HA ASN 26 10.157 -10.915 3.445 190 HB2 ASN 26 HB3 ASN 26 7.634 -10.143 1.958 191 HB3 ASN 26 HB2 ASN 26 8.878 -11.196 1.287 192 HD21 ASN 26 HD21 ASN 26 6.115 -12.010 1.903 193 HD22 ASN 26 HD22 ASN 26 6.222 -13.224 3.084 194 H GLY 27 H GLY 27 9.545 -7.642 3.396 195 HA2 GLY 27 HA3 GLY 27 10.936 -5.945 2.479 196 HA3 GLY 27 HA2 GLY 27 11.759 -7.180 1.523 197 H ASP 28 H ASP 28 8.304 -7.153 1.463 198 HA ASP 28 HA ASP 28 8.166 -6.893 -1.367 199 HB2 ASP 28 HB3 ASP 28 6.384 -7.892 0.055 200 HB3 ASP 28 HB2 ASP 28 5.995 -6.280 0.662 201 H CYS 29 H CYS 29 7.814 -4.477 1.215 202 HA CYS 29 HA CYS 29 7.075 -2.291 -0.505 203 HB2 CYS 29 HB3 CYS 29 8.653 -2.124 2.081 204 HB3 CYS 29 HB2 CYS 29 7.663 -0.857 1.358 205 H ASP 30 H ASP 30 10.028 -3.968 0.069 206 HA ASP 30 HA ASP 30 11.659 -1.764 -1.071 207 HB2 ASP 30 HB3 ASP 30 12.402 -4.421 0.182 208 HB3 ASP 30 HB2 ASP 30 13.578 -3.303 -0.511 209 H ASN 31 H ASN 31 9.877 -4.330 -2.220 210 HA ASN 31 HA ASN 31 11.796 -5.024 -4.375 211 HB2 ASN 31 HB3 ASN 31 10.370 -6.766 -3.169 212 HB3 ASN 31 HB2 ASN 31 8.980 -6.058 -3.993 213 HD21 ASN 31 HD21 ASN 31 9.435 -8.657 -4.655 214 HD22 ASN 31 HD22 ASN 31 10.154 -8.791 -6.189 215 H ASP 32 H ASP 32 11.786 -3.690 -6.112 216 HA ASP 32 HA ASP 32 9.820 -1.718 -6.645 217 HB2 ASP 32 HB3 ASP 32 11.817 -3.055 -8.487 218 HB3 ASP 32 HB2 ASP 32 10.852 -1.650 -8.945 219 H ASP 33 H ASP 33 10.038 -5.076 -7.612 220 HA ASP 33 HA ASP 33 7.994 -4.965 -9.631 221 HB2 ASP 33 HB3 ASP 33 9.195 -7.198 -7.994 222 HB3 ASP 33 HB2 ASP 33 7.968 -7.480 -9.223 223 H LYS 34 H LYS 34 7.912 -5.108 -6.148 224 HA LYS 34 HA LYS 34 4.990 -5.748 -6.271 225 HB2 LYS 34 HB3 LYS 34 6.751 -5.801 -3.813 226 HB3 LYS 34 HB2 LYS 34 5.144 -6.502 -4.007 227 HG2 LYS 34 HG3 LYS 34 6.140 -7.974 -5.834 228 HG3 LYS 34 HG2 LYS 34 7.723 -7.417 -5.289 229 HD2 LYS 34 HD3 LYS 34 7.241 -8.236 -3.011 230 HD3 LYS 34 HD2 LYS 34 5.661 -8.808 -3.554 231 HE2 LYS 34 HE3 LYS 34 7.445 -9.891 -5.401 232 HE3 LYS 34 HE2 LYS 34 8.275 -10.057 -3.854 233 HZ1 LYS 34 HZ1 LYS 34 5.762 -10.780 -3.232 234 HZ2 LYS 34 HZ2 LYS 34 7.006 -11.867 -3.634 235 HZ3 LYS 34 HZ3 LYS 34 5.893 -11.368 -4.817 236 H LEU 35 H LEU 35 7.001 -3.151 -6.143 237 HA LEU 35 HA LEU 35 6.012 -1.593 -3.991 238 HB2 LEU 35 HB3 LEU 35 7.252 -0.981 -6.647 239 HB3 LEU 35 HB2 LEU 35 6.529 0.344 -5.737 240 HG LEU 35 HG LEU 35 8.649 -1.558 -4.681 241 HD11 LEU 35 HD11 LEU 35 9.129 1.361 -4.973 242 HD12 LEU 35 HD12 LEU 35 9.069 0.426 -6.468 243 HD13 LEU 35 HD13 LEU 35 10.236 0.007 -5.211 244 HD21 LEU 35 HD21 LEU 35 8.583 0.652 -3.048 245 HD22 LEU 35 HD22 LEU 35 7.769 -0.872 -2.693 246 HD23 LEU 35 HD23 LEU 35 6.876 0.450 -3.443 247 H LEU 36 H LEU 36 4.788 -2.003 -7.309 248 HA LEU 36 HA LEU 36 2.615 -0.145 -7.039 249 HB2 LEU 36 HB3 LEU 36 3.430 -1.060 -9.229 250 HB3 LEU 36 HB2 LEU 36 2.738 -2.622 -8.790 251 HG LEU 36 HG LEU 36 0.922 -0.284 -8.551 252 HD11 LEU 36 HD11 LEU 36 1.981 -1.318 -11.188 253 HD12 LEU 36 HD12 LEU 36 1.900 0.354 -10.631 254 HD13 LEU 36 HD13 LEU 36 0.421 -0.510 -11.048 255 HD21 LEU 36 HD21 LEU 36 0.534 -2.902 -8.288 256 HD22 LEU 36 HD22 LEU 36 0.353 -2.823 -10.039 257 HD23 LEU 36 HD23 LEU 36 -0.709 -1.876 -9.000 258 H GLU 37 H GLU 37 2.936 -3.625 -6.428 259 HA GLU 37 HA GLU 37 0.199 -4.151 -5.831 260 HB2 GLU 37 HB3 GLU 37 2.679 -5.433 -4.636 261 HB3 GLU 37 HB2 GLU 37 1.053 -6.121 -4.622 262 HG2 GLU 37 HG3 GLU 37 1.075 -6.059 -7.132 263 HG3 GLU 37 HG2 GLU 37 2.757 -5.539 -7.060 264 H MET 38 H MET 38 2.891 -3.054 -3.792 265 HA MET 38 HA MET 38 1.422 -3.066 -1.321 266 HB2 MET 38 HB3 MET 38 3.865 -1.553 -2.243 267 HB3 MET 38 HB2 MET 38 3.259 -1.497 -0.590 268 HG2 MET 38 HG3 MET 38 4.000 -4.040 -2.060 269 HG3 MET 38 HG2 MET 38 5.063 -3.207 -0.925 270 HE1 MET 38 HE1 MET 38 2.872 -6.355 -0.876 271 HE2 MET 38 HE2 MET 38 2.078 -5.053 -1.756 272 HE3 MET 38 HE3 MET 38 1.354 -5.675 -0.276 273 H GLY 39 H GLY 39 2.160 -0.447 -3.638 274 HA2 GLY 39 HA3 GLY 39 0.820 1.629 -2.237 275 HA3 GLY 39 HA2 GLY 39 1.069 1.603 -3.981 276 H TYR 40 H TYR 40 -0.324 -1.009 -4.171 277 HA TYR 40 HA TYR 40 -3.070 0.082 -4.270 278 HB2 TYR 40 HB3 TYR 40 -2.257 -0.965 -6.296 279 HB3 TYR 40 HB2 TYR 40 -1.789 -2.414 -5.408 280 HD1 TYR 40 HD1 TYR 40 -3.502 -3.899 -4.428 281 HD2 TYR 40 HD2 TYR 40 -4.556 -0.560 -6.907 282 HE1 TYR 40 HE1 TYR 40 -5.768 -4.847 -4.731 283 HE2 TYR 40 HE2 TYR 40 -6.831 -1.502 -7.205 284 HH TYR 40 HH TYR 40 -8.008 -4.088 -5.303 285 H TYR 41 H TYR 41 -1.448 -2.908 -3.168 286 HA TYR 41 HA TYR 41 -3.800 -3.736 -1.673 287 HB2 TYR 41 HB3 TYR 41 -0.996 -4.828 -1.902 288 HB3 TYR 41 HB2 TYR 41 -2.200 -5.540 -0.835 289 HD1 TYR 41 HD1 TYR 41 -4.414 -6.300 -1.821 290 HD2 TYR 41 HD2 TYR 41 -1.019 -5.285 -4.244 291 HE1 TYR 41 HE1 TYR 41 -5.420 -7.513 -3.737 292 HE2 TYR 41 HE2 TYR 41 -2.020 -6.501 -6.159 293 HH TYR 41 HH TYR 41 -3.687 -8.371 -6.477 294 H CYS 42 H CYS 42 -0.541 -2.544 -0.744 295 HA CYS 42 HA CYS 42 -1.779 -1.773 1.851 296 HB2 CYS 42 HB3 CYS 42 0.986 -2.928 1.769 297 HB3 CYS 42 HB2 CYS 42 -0.121 -2.787 3.133 298 HA PRO 43 HA PRO 43 0.795 1.662 -0.028 299 HB2 PRO 43 HB3 PRO 43 -1.096 3.605 0.473 300 HB3 PRO 43 HB2 PRO 43 -1.014 2.676 -1.036 301 HG2 PRO 43 HG3 PRO 43 -2.769 2.278 1.337 302 HG3 PRO 43 HG2 PRO 43 -3.163 2.161 -0.386 303 HD2 PRO 43 HD3 PRO 43 -2.750 -0.038 1.132 304 HD3 PRO 43 HD2 PRO 43 -2.275 0.017 -0.580 305 H VAL 44 H VAL 44 -1.175 1.450 2.894 306 HA VAL 44 HA VAL 44 0.326 3.496 4.330 307 HB VAL 44 HB VAL 44 -1.638 1.390 5.285 308 HG11 VAL 44 HG11 VAL 44 -0.553 3.867 6.662 309 HG12 VAL 44 HG12 VAL 44 -0.190 2.198 7.107 310 HG13 VAL 44 HG13 VAL 44 -1.829 2.823 7.293 311 HG21 VAL 44 HG21 VAL 44 -2.214 4.323 5.054 312 HG22 VAL 44 HG22 VAL 44 -3.319 2.955 4.944 313 HG23 VAL 44 HG23 VAL 44 -2.249 3.334 3.594 314 H THR 45 H THR 45 0.201 -0.054 4.346 315 HA THR 45 HA THR 45 2.011 -0.525 6.474 316 HB THR 45 HB THR 45 1.683 -2.176 3.960 317 HG1 THR 45 HG1 THR 45 -0.206 -1.493 5.423 318 HG21 THR 45 HG21 THR 45 3.336 -3.320 4.999 319 HG22 THR 45 HG22 THR 45 2.029 -3.908 6.023 320 HG23 THR 45 HG23 THR 45 3.030 -2.560 6.558 321 H CYS 46 H CYS 46 2.658 0.026 3.012 322 HA CYS 46 HA CYS 46 5.535 -0.346 3.469 323 HB2 CYS 46 HB3 CYS 46 3.899 0.331 1.024 324 HB3 CYS 46 HB2 CYS 46 5.662 0.290 1.007 325 H GLY 47 H GLY 47 3.425 2.186 3.974 326 HA2 GLY 47 HA3 GLY 47 3.980 4.372 4.674 327 HA3 GLY 47 HA2 GLY 47 5.661 4.031 4.274 328 H PHE 48 H PHE 48 2.949 3.712 2.001 329 HA PHE 48 HA PHE 48 4.244 5.860 0.370 330 HB2 PHE 48 HB3 PHE 48 2.201 3.788 -0.486 331 HB3 PHE 48 HB2 PHE 48 3.065 4.905 -1.536 332 HD1 PHE 48 HD2 PHE 48 5.748 4.587 0.152 333 HD2 PHE 48 HD1 PHE 48 3.017 1.845 -1.708 334 HE1 PHE 48 HE2 PHE 48 7.576 2.941 -0.107 335 HE2 PHE 48 HE1 PHE 48 4.848 0.206 -1.967 336 HZ PHE 48 HZ PHE 48 7.125 0.744 -1.165 337 H CYS 49 H CYS 49 1.683 5.195 2.410 338 HA CYS 49 HA CYS 49 0.413 7.750 1.735 339 HB2 CYS 49 HB3 CYS 49 -0.673 5.808 0.363 340 HB3 CYS 49 HB2 CYS 49 -1.407 5.368 1.902 341 H GLU 50 H GLU 50 -1.561 8.001 3.350 342 HA GLU 50 HA GLU 50 -0.514 7.170 6.012 343 HB2 GLU 50 HB3 GLU 50 -1.188 9.207 6.805 344 HB3 GLU 50 HB2 GLU 50 -1.161 9.662 5.102 345 HG2 GLU 50 HG3 GLU 50 -3.577 8.879 4.968 346 HG3 GLU 50 HG2 GLU 50 -3.552 8.765 6.729 347 HA PRO 51 HA PRO 51 -4.019 4.586 6.743 348 HB2 PRO 51 HB3 PRO 51 -4.408 4.994 9.439 349 HB3 PRO 51 HB2 PRO 51 -3.110 3.988 8.770 350 HG2 PRO 51 HG3 PRO 51 -3.007 6.766 9.813 351 HG3 PRO 51 HG2 PRO 51 -1.815 5.463 9.941 352 HD2 PRO 51 HD3 PRO 51 -1.579 7.542 8.170 353 HD3 PRO 51 HD2 PRO 51 -0.878 5.934 7.884 Start of MODEL 25 1 HA ASN 1 HA ASN 1 -12.328 25.644 -6.963 2 HB2 ASN 1 HB3 ASN 1 -12.534 23.706 -9.289 3 HB3 ASN 1 HB2 ASN 1 -13.637 25.056 -9.010 4 HD21 ASN 1 HD21 ASN 1 -11.918 24.843 -11.358 5 HD22 ASN 1 HD22 ASN 1 -10.820 26.132 -11.301 6 H ASP 2 H ASP 2 -13.859 22.865 -8.342 7 HA ASP 2 HA ASP 2 -15.745 22.673 -6.168 8 HB2 ASP 2 HB3 ASP 2 -15.151 20.795 -8.475 9 HB3 ASP 2 HB2 ASP 2 -16.529 20.631 -7.387 10 H ILE 3 H ILE 3 -15.743 21.306 -4.411 11 HA ILE 3 HA ILE 3 -13.247 20.012 -3.689 12 HB ILE 3 HB ILE 3 -15.975 19.793 -2.379 13 HG12 ILE 3 HG13 ILE 3 -13.641 21.647 -1.795 14 HG13 ILE 3 HG12 ILE 3 -15.160 22.131 -2.550 15 HG21 ILE 3 HG21 ILE 3 -13.379 18.590 -1.867 16 HG22 ILE 3 HG22 ILE 3 -14.931 18.263 -1.093 17 HG23 ILE 3 HG23 ILE 3 -13.912 19.571 -0.498 18 HD11 ILE 3 HD11 ILE 3 -16.350 21.255 -0.492 19 HD12 ILE 3 HD12 ILE 3 -15.334 22.667 -0.209 20 HD13 ILE 3 HD13 ILE 3 -14.764 21.066 0.258 21 H ARG 4 H ARG 4 -15.540 19.096 -5.854 22 HA ARG 4 HA ARG 4 -15.861 16.303 -5.094 23 HB2 ARG 4 HB3 ARG 4 -16.302 17.681 -7.763 24 HB3 ARG 4 HB2 ARG 4 -16.820 16.043 -7.363 25 HG2 ARG 4 HG3 ARG 4 -18.154 16.983 -5.462 26 HG3 ARG 4 HG2 ARG 4 -17.731 18.604 -6.022 27 HD2 ARG 4 HD3 ARG 4 -19.258 16.510 -7.601 28 HD3 ARG 4 HD2 ARG 4 -19.930 17.982 -6.899 29 HE ARG 4 HE ARG 4 -17.725 18.496 -8.737 30 HH11 ARG 4 HH21 ARG 4 -21.098 17.894 -8.345 31 HH12 ARG 4 HH22 ARG 4 -21.550 18.731 -9.794 32 HH21 ARG 4 HH11 ARG 4 -18.291 19.587 -10.629 33 HH22 ARG 4 HH12 ARG 4 -19.959 19.688 -11.090 34 H THR 5 H THR 5 -13.186 17.951 -6.012 35 HA THR 5 HA THR 5 -12.118 15.868 -7.817 36 HB THR 5 HB THR 5 -11.698 18.416 -8.062 37 HG1 THR 5 HG1 THR 5 -9.567 16.542 -8.001 38 HG21 THR 5 HG21 THR 5 -10.098 19.432 -6.691 39 HG22 THR 5 HG22 THR 5 -9.461 17.890 -6.123 40 HG23 THR 5 HG23 THR 5 -11.023 18.469 -5.540 41 H ALA 6 H ALA 6 -12.451 16.286 -4.531 42 HA ALA 6 HA ALA 6 -9.825 15.330 -3.694 43 HB1 ALA 6 HB1 ALA 6 -10.614 16.167 -1.757 44 HB2 ALA 6 HB2 ALA 6 -11.690 14.774 -1.657 45 HB3 ALA 6 HB3 ALA 6 -12.247 16.265 -2.411 46 H ALA 7 H ALA 7 -12.502 13.862 -5.137 47 HA ALA 7 HA ALA 7 -13.205 11.609 -5.282 48 HB1 ALA 7 HB1 ALA 7 -11.521 10.621 -6.397 49 HB2 ALA 7 HB2 ALA 7 -10.640 10.376 -4.890 50 HB3 ALA 7 HB3 ALA 7 -10.418 11.864 -5.809 51 H ASP 8 H ASP 8 -12.239 9.282 -4.113 52 HA ASP 8 HA ASP 8 -12.615 9.859 -1.202 53 HB2 ASP 8 HB3 ASP 8 -13.441 7.454 -2.852 54 HB3 ASP 8 HB2 ASP 8 -13.546 7.525 -1.092 55 H MET 9 H MET 9 -10.225 9.363 -3.211 56 HA MET 9 HA MET 9 -8.946 7.088 -1.852 57 HB2 MET 9 HB3 MET 9 -8.017 8.903 -4.091 58 HB3 MET 9 HB2 MET 9 -7.054 7.576 -3.448 59 HG2 MET 9 HG3 MET 9 -9.723 7.408 -4.867 60 HG3 MET 9 HG2 MET 9 -8.183 6.710 -5.373 61 HE1 MET 9 HE1 MET 9 -7.450 4.136 -2.594 62 HE2 MET 9 HE2 MET 9 -7.327 5.831 -2.132 63 HE3 MET 9 HE3 MET 9 -6.797 5.320 -3.730 64 H GLU 10 H GLU 10 -9.526 9.953 -0.742 65 HA GLU 10 HA GLU 10 -6.914 11.033 -0.167 66 HB2 GLU 10 HB3 GLU 10 -9.008 12.377 -0.013 67 HB3 GLU 10 HB2 GLU 10 -9.489 11.413 1.388 68 HG2 GLU 10 HG3 GLU 10 -7.383 12.098 2.537 69 HG3 GLU 10 HG2 GLU 10 -7.007 13.140 1.164 70 H HIS 11 H HIS 11 -8.919 8.569 1.287 71 HA HIS 11 HA HIS 11 -7.014 8.381 3.571 72 HB2 HIS 11 HB3 HIS 11 -9.776 7.205 3.151 73 HB3 HIS 11 HB2 HIS 11 -8.764 6.873 4.553 74 HD1 HIS 11 HD1 HIS 11 -11.441 8.286 5.004 75 HD2 HIS 11 HD2 HIS 11 -7.871 10.343 4.331 76 HE1 HIS 11 HE1 HIS 11 -11.754 10.603 5.977 77 HE2 HIS 11 HE2 HIS 11 -9.591 11.867 5.569 78 H CYS 12 H CYS 12 -5.448 6.895 3.345 79 HA CYS 12 HA CYS 12 -5.830 4.647 1.431 80 HB2 CYS 12 HB3 CYS 12 -3.336 5.669 2.817 81 HB3 CYS 12 HB2 CYS 12 -3.380 4.418 1.581 82 H ALA 13 H ALA 13 -5.888 2.521 2.183 83 HA ALA 13 HA ALA 13 -5.249 2.072 5.065 84 HB1 ALA 13 HB1 ALA 13 -7.304 1.025 5.509 85 HB2 ALA 13 HB2 ALA 13 -7.660 0.799 3.796 86 HB3 ALA 13 HB3 ALA 13 -7.766 2.405 4.514 87 H ASP 14 H ASP 14 -4.542 -0.063 5.554 88 HA ASP 14 HA ASP 14 -3.273 -1.474 3.369 89 HB2 ASP 14 HB3 ASP 14 -3.718 -2.239 6.270 90 HB3 ASP 14 HB2 ASP 14 -2.734 -3.172 5.140 91 H GLU 15 H GLU 15 -4.015 -3.225 2.230 92 HA GLU 15 HA GLU 15 -6.790 -3.833 2.159 93 HB2 GLU 15 HB3 GLU 15 -4.327 -4.915 0.952 94 HB3 GLU 15 HB2 GLU 15 -5.634 -6.088 1.121 95 HG2 GLU 15 HG3 GLU 15 -5.627 -4.738 -1.048 96 HG3 GLU 15 HG2 GLU 15 -7.142 -4.740 -0.147 97 H LYS 16 H LYS 16 -8.017 -5.387 3.178 98 HA LYS 16 HA LYS 16 -6.810 -6.656 5.549 99 HB2 LYS 16 HB3 LYS 16 -9.082 -7.153 6.195 100 HB3 LYS 16 HB2 LYS 16 -9.041 -5.496 5.597 101 HG2 LYS 16 HG3 LYS 16 -9.772 -6.340 3.355 102 HG3 LYS 16 HG2 LYS 16 -9.953 -7.947 4.064 103 HD2 LYS 16 HD3 LYS 16 -11.480 -6.891 5.795 104 HD3 LYS 16 HD2 LYS 16 -11.461 -5.431 4.803 105 HE2 LYS 16 HE3 LYS 16 -13.416 -6.864 4.289 106 HE3 LYS 16 HE2 LYS 16 -12.350 -6.688 2.895 107 HZ1 LYS 16 HZ1 LYS 16 -13.208 -9.038 3.965 108 HZ2 LYS 16 HZ2 LYS 16 -11.624 -8.893 4.567 109 HZ3 LYS 16 HZ3 LYS 16 -11.909 -8.850 2.893 110 H ASN 17 H ASN 17 -7.883 -7.569 2.352 111 HA ASN 17 HA ASN 17 -7.931 -10.440 3.012 112 HB2 ASN 17 HB3 ASN 17 -8.135 -9.030 0.332 113 HB3 ASN 17 HB2 ASN 17 -8.487 -10.730 0.637 114 HD21 ASN 17 HD21 ASN 17 -10.011 -7.789 0.277 115 HD22 ASN 17 HD22 ASN 17 -11.410 -8.085 1.193 116 H PHE 18 H PHE 18 -5.562 -8.172 2.398 117 HA PHE 18 HA PHE 18 -3.737 -10.233 1.217 118 HB2 PHE 18 HB3 PHE 18 -4.068 -8.192 -0.173 119 HB3 PHE 18 HB2 PHE 18 -3.449 -7.215 1.158 120 HD1 PHE 18 HD2 PHE 18 -2.607 -9.683 -1.433 121 HD2 PHE 18 HD1 PHE 18 -1.093 -7.302 1.799 122 HE1 PHE 18 HE2 PHE 18 -0.288 -10.144 -2.183 123 HE2 PHE 18 HE1 PHE 18 1.224 -7.755 1.047 124 HZ PHE 18 HZ PHE 18 1.630 -9.182 -0.940 125 H ASP 19 H ASP 19 -2.071 -10.893 2.494 126 HA ASP 19 HA ASP 19 -1.829 -9.836 5.200 127 HB2 ASP 19 HB3 ASP 19 -0.163 -11.876 3.692 128 HB3 ASP 19 HB2 ASP 19 -0.018 -11.526 5.415 129 H CYS 20 H CYS 20 -1.178 -7.620 4.770 130 HA CYS 20 HA CYS 20 1.164 -6.954 3.230 131 HB2 CYS 20 HB3 CYS 20 0.024 -5.369 5.544 132 HB3 CYS 20 HB2 CYS 20 0.939 -4.759 4.163 133 H ARG 21 H ARG 21 0.600 -7.767 6.604 134 HA ARG 21 HA ARG 21 3.114 -7.044 7.695 135 HB2 ARG 21 HB3 ARG 21 0.935 -7.993 8.806 136 HB3 ARG 21 HB2 ARG 21 1.663 -9.565 8.486 137 HG2 ARG 21 HG3 ARG 21 3.054 -7.333 9.990 138 HG3 ARG 21 HG2 ARG 21 2.177 -8.646 10.771 139 HD2 ARG 21 HD3 ARG 21 3.690 -10.232 9.422 140 HD3 ARG 21 HD2 ARG 21 4.686 -8.810 9.105 141 HE ARG 21 HE ARG 21 4.453 -10.203 11.659 142 HH11 ARG 21 HH21 ARG 21 5.164 -7.263 9.992 143 HH12 ARG 21 HH22 ARG 21 6.142 -6.626 11.273 144 HH21 ARG 21 HH11 ARG 21 5.715 -9.381 13.337 145 HH22 ARG 21 HH12 ARG 21 6.449 -7.822 13.165 146 H ARG 22 H ARG 22 2.037 -9.976 6.011 147 HA ARG 22 HA ARG 22 4.554 -11.366 6.284 148 HB2 ARG 22 HB3 ARG 22 2.890 -12.866 5.769 149 HB3 ARG 22 HB2 ARG 22 2.035 -11.723 4.737 150 HG2 ARG 22 HG3 ARG 22 3.616 -12.024 2.953 151 HG3 ARG 22 HG2 ARG 22 4.690 -12.961 3.992 152 HD2 ARG 22 HD3 ARG 22 1.884 -13.766 3.171 153 HD3 ARG 22 HD2 ARG 22 3.373 -14.435 2.508 154 HE ARG 22 HE ARG 22 2.246 -15.025 5.158 155 HH11 ARG 22 HH21 ARG 22 4.962 -14.993 3.045 156 HH12 ARG 22 HH22 ARG 22 5.790 -16.270 3.866 157 HH21 ARG 22 HH11 ARG 22 3.309 -16.696 6.254 158 HH22 ARG 22 HH12 ARG 22 4.853 -17.235 5.689 159 H SER 23 H SER 23 3.049 -9.516 3.634 160 HA SER 23 HA SER 23 5.269 -9.779 1.836 161 HB2 SER 23 HB3 SER 23 4.182 -8.003 0.571 162 HB3 SER 23 HB2 SER 23 2.955 -9.106 1.184 163 HG SER 23 HG SER 23 3.518 -6.477 1.870 164 H LEU 24 H LEU 24 4.475 -7.454 4.371 165 HA LEU 24 HA LEU 24 6.477 -5.515 3.720 166 HB2 LEU 24 HB3 LEU 24 4.635 -5.038 5.278 167 HB3 LEU 24 HB2 LEU 24 5.282 -6.223 6.413 168 HG LEU 24 HG LEU 24 7.449 -4.882 6.386 169 HD11 LEU 24 HD11 LEU 24 6.695 -2.356 5.819 170 HD12 LEU 24 HD12 LEU 24 5.709 -3.225 4.644 171 HD13 LEU 24 HD13 LEU 24 7.463 -3.412 4.632 172 HD21 LEU 24 HD21 LEU 24 4.881 -4.242 7.654 173 HD22 LEU 24 HD22 LEU 24 5.995 -2.873 7.605 174 HD23 LEU 24 HD23 LEU 24 6.487 -4.382 8.370 175 H ARG 25 H ARG 25 6.529 -8.258 6.024 176 HA ARG 25 HA ARG 25 9.272 -7.794 6.788 177 HB2 ARG 25 HB3 ARG 25 9.141 -9.980 7.876 178 HB3 ARG 25 HB2 ARG 25 7.663 -9.073 8.196 179 HG2 ARG 25 HG3 ARG 25 6.591 -10.269 6.272 180 HG3 ARG 25 HG2 ARG 25 8.041 -11.266 6.143 181 HD2 ARG 25 HD3 ARG 25 7.728 -11.995 8.491 182 HD3 ARG 25 HD2 ARG 25 6.252 -11.036 8.580 183 HE ARG 25 HE ARG 25 6.381 -13.080 6.443 184 HH11 ARG 25 HH21 ARG 25 5.274 -12.015 9.534 185 HH12 ARG 25 HH22 ARG 25 3.999 -13.185 9.626 186 HH21 ARG 25 HH11 ARG 25 4.720 -14.602 6.545 187 HH22 ARG 25 HH12 ARG 25 3.694 -14.653 7.941 188 H ASN 26 H ASN 26 7.748 -9.363 4.121 189 HA ASN 26 HA ASN 26 10.060 -10.991 3.383 190 HB2 ASN 26 HB3 ASN 26 7.559 -10.170 1.875 191 HB3 ASN 26 HB2 ASN 26 8.771 -11.279 1.241 192 HD21 ASN 26 HD21 ASN 26 6.003 -12.025 1.815 193 HD22 ASN 26 HD22 ASN 26 6.046 -13.192 3.045 194 H GLY 27 H GLY 27 9.499 -7.728 3.379 195 HA2 GLY 27 HA3 GLY 27 10.890 -6.023 2.492 196 HA3 GLY 27 HA2 GLY 27 11.722 -7.249 1.533 197 H ASP 28 H ASP 28 8.277 -7.211 1.438 198 HA ASP 28 HA ASP 28 8.156 -6.943 -1.384 199 HB2 ASP 28 HB3 ASP 28 6.369 -7.889 0.117 200 HB3 ASP 28 HB2 ASP 28 5.959 -6.232 0.571 201 H CYS 29 H CYS 29 7.818 -4.499 1.187 202 HA CYS 29 HA CYS 29 7.111 -2.340 -0.576 203 HB2 CYS 29 HB3 CYS 29 8.651 -2.118 2.031 204 HB3 CYS 29 HB2 CYS 29 7.669 -0.873 1.265 205 H ASP 30 H ASP 30 10.064 -4.006 0.085 206 HA ASP 30 HA ASP 30 11.740 -1.832 -1.022 207 HB2 ASP 30 HB3 ASP 30 12.402 -4.551 0.148 208 HB3 ASP 30 HB2 ASP 30 13.616 -3.460 -0.520 209 H ASN 31 H ASN 31 9.853 -4.204 -2.330 210 HA ASN 31 HA ASN 31 11.781 -4.877 -4.504 211 HB2 ASN 31 HB3 ASN 31 10.437 -6.676 -3.291 212 HB3 ASN 31 HB2 ASN 31 9.009 -6.006 -4.075 213 HD21 ASN 31 HD21 ASN 31 9.407 -8.534 -4.816 214 HD22 ASN 31 HD22 ASN 31 10.149 -8.667 -6.340 215 H ASP 32 H ASP 32 11.697 -3.501 -6.208 216 HA ASP 32 HA ASP 32 9.672 -1.580 -6.684 217 HB2 ASP 32 HB3 ASP 32 11.977 -1.612 -7.721 218 HB3 ASP 32 HB2 ASP 32 11.399 -2.879 -8.806 219 H ASP 33 H ASP 33 9.985 -4.910 -7.759 220 HA ASP 33 HA ASP 33 7.859 -4.857 -9.681 221 HB2 ASP 33 HB3 ASP 33 9.614 -6.656 -9.465 222 HB3 ASP 33 HB2 ASP 33 8.763 -7.229 -8.030 223 H LYS 34 H LYS 34 7.887 -4.999 -6.208 224 HA LYS 34 HA LYS 34 4.971 -5.653 -6.262 225 HB2 LYS 34 HB3 LYS 34 6.800 -5.742 -3.856 226 HB3 LYS 34 HB2 LYS 34 5.193 -6.456 -4.024 227 HG2 LYS 34 HG3 LYS 34 6.168 -7.852 -5.934 228 HG3 LYS 34 HG2 LYS 34 7.754 -7.319 -5.375 229 HD2 LYS 34 HD3 LYS 34 7.227 -8.211 -3.109 230 HD3 LYS 34 HD2 LYS 34 5.694 -8.821 -3.735 231 HE2 LYS 34 HE3 LYS 34 6.688 -10.544 -4.859 232 HE3 LYS 34 HE2 LYS 34 8.097 -9.579 -5.293 233 HZ1 LYS 34 HZ1 LYS 34 7.737 -10.234 -2.470 234 HZ2 LYS 34 HZ2 LYS 34 9.164 -10.090 -3.378 235 HZ3 LYS 34 HZ3 LYS 34 8.214 -11.493 -3.505 236 H LEU 35 H LEU 35 7.043 -3.064 -6.081 237 HA LEU 35 HA LEU 35 6.037 -1.512 -3.938 238 HB2 LEU 35 HB3 LEU 35 7.288 -0.873 -6.582 239 HB3 LEU 35 HB2 LEU 35 6.566 0.443 -5.658 240 HG LEU 35 HG LEU 35 8.685 -1.475 -4.628 241 HD11 LEU 35 HD11 LEU 35 9.028 0.654 -6.340 242 HD12 LEU 35 HD12 LEU 35 10.254 0.056 -5.224 243 HD13 LEU 35 HD13 LEU 35 9.228 1.415 -4.761 244 HD21 LEU 35 HD21 LEU 35 6.883 0.472 -3.352 245 HD22 LEU 35 HD22 LEU 35 8.583 0.725 -2.965 246 HD23 LEU 35 HD23 LEU 35 7.821 -0.829 -2.626 247 H LEU 36 H LEU 36 4.858 -1.823 -7.287 248 HA LEU 36 HA LEU 36 2.660 0.007 -6.959 249 HB2 LEU 36 HB3 LEU 36 3.516 -0.765 -9.178 250 HB3 LEU 36 HB2 LEU 36 2.859 -2.370 -8.837 251 HG LEU 36 HG LEU 36 0.960 -0.130 -8.465 252 HD11 LEU 36 HD11 LEU 36 2.126 -0.852 -11.159 253 HD12 LEU 36 HD12 LEU 36 1.966 0.752 -10.441 254 HD13 LEU 36 HD13 LEU 36 0.532 -0.123 -10.987 255 HD21 LEU 36 HD21 LEU 36 0.717 -2.802 -8.507 256 HD22 LEU 36 HD22 LEU 36 0.487 -2.495 -10.228 257 HD23 LEU 36 HD23 LEU 36 -0.586 -1.744 -9.046 258 H GLU 37 H GLU 37 3.042 -3.486 -6.474 259 HA GLU 37 HA GLU 37 0.302 -4.088 -5.966 260 HB2 GLU 37 HB3 GLU 37 2.768 -5.376 -4.740 261 HB3 GLU 37 HB2 GLU 37 1.151 -6.074 -4.783 262 HG2 GLU 37 HG3 GLU 37 1.239 -5.971 -7.292 263 HG3 GLU 37 HG2 GLU 37 2.916 -5.443 -7.163 264 H MET 38 H MET 38 2.915 -2.972 -3.825 265 HA MET 38 HA MET 38 1.321 -3.074 -1.414 266 HB2 MET 38 HB3 MET 38 3.829 -1.537 -2.113 267 HB3 MET 38 HB2 MET 38 3.125 -1.593 -0.499 268 HG2 MET 38 HG3 MET 38 3.980 -4.019 -2.096 269 HG3 MET 38 HG2 MET 38 4.934 -3.283 -0.811 270 HE1 MET 38 HE1 MET 38 3.048 -6.373 -1.314 271 HE2 MET 38 HE2 MET 38 1.999 -5.138 -2.003 272 HE3 MET 38 HE3 MET 38 1.445 -6.095 -0.630 273 H GLY 39 H GLY 39 2.203 -0.428 -3.638 274 HA2 GLY 39 HA3 GLY 39 0.893 1.667 -2.261 275 HA3 GLY 39 HA2 GLY 39 1.107 1.623 -4.014 276 H TYR 40 H TYR 40 -0.316 -0.970 -4.175 277 HA TYR 40 HA TYR 40 -3.061 0.135 -4.197 278 HB2 TYR 40 HB3 TYR 40 -2.311 -0.896 -6.256 279 HB3 TYR 40 HB2 TYR 40 -1.841 -2.363 -5.400 280 HD1 TYR 40 HD1 TYR 40 -3.636 -3.726 -4.225 281 HD2 TYR 40 HD2 TYR 40 -4.539 -0.566 -6.991 282 HE1 TYR 40 HE1 TYR 40 -5.927 -4.624 -4.501 283 HE2 TYR 40 HE2 TYR 40 -6.835 -1.465 -7.267 284 HH TYR 40 HH TYR 40 -8.103 -3.927 -5.202 285 H TYR 41 H TYR 41 -1.449 -2.901 -3.193 286 HA TYR 41 HA TYR 41 -3.770 -3.741 -1.664 287 HB2 TYR 41 HB3 TYR 41 -0.970 -4.829 -1.955 288 HB3 TYR 41 HB2 TYR 41 -2.147 -5.556 -0.868 289 HD1 TYR 41 HD1 TYR 41 -4.355 -6.368 -1.806 290 HD2 TYR 41 HD2 TYR 41 -1.065 -5.214 -4.312 291 HE1 TYR 41 HE1 TYR 41 -5.378 -7.584 -3.710 292 HE2 TYR 41 HE2 TYR 41 -2.088 -6.426 -6.212 293 HH TYR 41 HH TYR 41 -4.045 -8.668 -6.119 294 H CYS 42 H CYS 42 -0.516 -2.504 -0.760 295 HA CYS 42 HA CYS 42 -1.731 -1.776 1.853 296 HB2 CYS 42 HB3 CYS 42 1.019 -2.978 1.784 297 HB3 CYS 42 HB2 CYS 42 -0.097 -2.819 3.142 298 HA PRO 43 HA PRO 43 0.874 1.619 -0.007 299 HB2 PRO 43 HB3 PRO 43 -1.002 3.577 0.455 300 HB3 PRO 43 HB2 PRO 43 -0.904 2.641 -1.046 301 HG2 PRO 43 HG3 PRO 43 -2.732 2.316 1.274 302 HG3 PRO 43 HG2 PRO 43 -3.055 2.117 -0.455 303 HD2 PRO 43 HD3 PRO 43 -2.680 0.007 1.232 304 HD3 PRO 43 HD2 PRO 43 -2.252 -0.051 -0.492 305 H VAL 44 H VAL 44 -1.100 1.446 2.925 306 HA VAL 44 HA VAL 44 0.444 3.515 4.300 307 HB VAL 44 HB VAL 44 -1.541 1.478 5.358 308 HG11 VAL 44 HG11 VAL 44 -1.693 3.089 7.274 309 HG12 VAL 44 HG12 VAL 44 -0.309 3.951 6.602 310 HG13 VAL 44 HG13 VAL 44 -0.130 2.286 7.158 311 HG21 VAL 44 HG21 VAL 44 -2.193 4.361 5.168 312 HG22 VAL 44 HG22 VAL 44 -3.207 2.958 4.847 313 HG23 VAL 44 HG23 VAL 44 -2.058 3.510 3.628 314 H THR 45 H THR 45 0.252 -0.031 4.383 315 HA THR 45 HA THR 45 2.076 -0.503 6.497 316 HB THR 45 HB THR 45 1.725 -2.172 3.996 317 HG1 THR 45 HG1 THR 45 0.207 -1.821 6.323 318 HG21 THR 45 HG21 THR 45 3.555 -3.059 5.143 319 HG22 THR 45 HG22 THR 45 2.206 -3.992 5.791 320 HG23 THR 45 HG23 THR 45 2.884 -2.660 6.723 321 H CYS 46 H CYS 46 2.691 0.069 3.036 322 HA CYS 46 HA CYS 46 5.570 -0.352 3.458 323 HB2 CYS 46 HB3 CYS 46 3.903 0.399 1.056 324 HB3 CYS 46 HB2 CYS 46 5.665 0.350 1.005 325 H GLY 47 H GLY 47 3.498 2.233 3.995 326 HA2 GLY 47 HA3 GLY 47 4.115 4.391 4.755 327 HA3 GLY 47 HA2 GLY 47 5.786 4.021 4.334 328 H PHE 48 H PHE 48 3.044 3.795 2.100 329 HA PHE 48 HA PHE 48 4.360 5.934 0.473 330 HB2 PHE 48 HB3 PHE 48 2.295 3.887 -0.391 331 HB3 PHE 48 HB2 PHE 48 3.161 5.003 -1.438 332 HD1 PHE 48 HD1 PHE 48 5.844 4.643 0.253 333 HD2 PHE 48 HD2 PHE 48 3.093 1.947 -1.654 334 HE1 PHE 48 HE1 PHE 48 7.661 2.990 -0.023 335 HE2 PHE 48 HE2 PHE 48 4.915 0.297 -1.929 336 HZ PHE 48 HZ PHE 48 7.198 0.816 -1.111 337 H CYS 49 H CYS 49 1.709 5.184 2.427 338 HA CYS 49 HA CYS 49 0.493 7.792 1.805 339 HB2 CYS 49 HB3 CYS 49 -0.542 5.769 0.437 340 HB3 CYS 49 HB2 CYS 49 -1.371 5.460 1.960 341 H GLU 50 H GLU 50 -1.449 8.072 3.438 342 HA GLU 50 HA GLU 50 -0.448 7.103 6.070 343 HB2 GLU 50 HB3 GLU 50 -0.996 9.140 6.933 344 HB3 GLU 50 HB2 GLU 50 -0.959 9.652 5.250 345 HG2 GLU 50 HG3 GLU 50 -3.427 9.004 5.133 346 HG3 GLU 50 HG2 GLU 50 -3.375 8.872 6.893 347 HA PRO 51 HA PRO 51 -4.034 4.625 6.659 348 HB2 PRO 51 HB3 PRO 51 -4.461 4.933 9.359 349 HB3 PRO 51 HB2 PRO 51 -3.184 3.915 8.673 350 HG2 PRO 51 HG3 PRO 51 -3.015 6.639 9.836 351 HG3 PRO 51 HG2 PRO 51 -1.864 5.297 9.927 352 HD2 PRO 51 HD3 PRO 51 -1.534 7.442 8.253 353 HD3 PRO 51 HD2 PRO 51 -0.877 5.826 7.908 Start of MODEL 26 1 HA ASN 1 HA ASN 1 -19.511 22.582 -1.379 2 HB2 ASN 1 HB3 ASN 1 -20.796 24.741 -1.371 3 HB3 ASN 1 HB2 ASN 1 -20.769 24.711 -3.135 4 HD21 ASN 1 HD21 ASN 1 -21.853 22.768 -0.306 5 HD22 ASN 1 HD22 ASN 1 -23.118 21.995 -1.134 6 H ASP 2 H ASP 2 -17.353 22.452 -3.388 7 HA ASP 2 HA ASP 2 -18.538 21.862 -5.970 8 HB2 ASP 2 HB3 ASP 2 -15.848 21.106 -4.784 9 HB3 ASP 2 HB2 ASP 2 -16.302 20.852 -6.467 10 H ILE 3 H ILE 3 -19.008 19.798 -6.855 11 HA ILE 3 HA ILE 3 -19.797 17.781 -4.891 12 HB ILE 3 HB ILE 3 -19.843 17.687 -7.925 13 HG12 ILE 3 HG13 ILE 3 -22.081 18.263 -5.959 14 HG13 ILE 3 HG12 ILE 3 -21.199 19.516 -6.834 15 HG21 ILE 3 HG21 ILE 3 -21.715 15.972 -7.311 16 HG22 ILE 3 HG22 ILE 3 -20.897 15.890 -5.751 17 HG23 ILE 3 HG23 ILE 3 -20.032 15.450 -7.222 18 HD11 ILE 3 HD11 ILE 3 -21.926 18.617 -8.968 19 HD12 ILE 3 HD12 ILE 3 -23.348 18.844 -7.947 20 HD13 ILE 3 HD13 ILE 3 -22.673 17.231 -8.173 21 H ARG 4 H ARG 4 -16.879 18.536 -6.232 22 HA ARG 4 HA ARG 4 -15.912 15.862 -6.857 23 HB2 ARG 4 HB3 ARG 4 -14.401 18.424 -6.246 24 HB3 ARG 4 HB2 ARG 4 -13.682 16.949 -6.892 25 HG2 ARG 4 HG3 ARG 4 -15.203 17.107 -8.863 26 HG3 ARG 4 HG2 ARG 4 -15.813 18.641 -8.233 27 HD2 ARG 4 HD3 ARG 4 -13.451 19.506 -8.248 28 HD3 ARG 4 HD2 ARG 4 -12.967 18.021 -9.069 29 HE ARG 4 HE ARG 4 -15.007 18.984 -10.658 30 HH11 ARG 4 HH21 ARG 4 -12.122 20.286 -9.290 31 HH12 ARG 4 HH22 ARG 4 -11.833 21.382 -10.599 32 HH21 ARG 4 HH11 ARG 4 -14.642 20.404 -12.383 33 HH22 ARG 4 HH12 ARG 4 -13.253 21.441 -12.356 34 H THR 5 H THR 5 -16.890 17.160 -4.025 35 HA THR 5 HA THR 5 -14.698 16.216 -2.318 36 HB THR 5 HB THR 5 -16.327 18.217 -1.900 37 HG1 THR 5 HG1 THR 5 -15.254 16.346 -0.185 38 HG21 THR 5 HG21 THR 5 -18.327 16.622 -2.214 39 HG22 THR 5 HG22 THR 5 -18.387 17.730 -0.844 40 HG23 THR 5 HG23 THR 5 -17.955 16.041 -0.590 41 H ALA 6 H ALA 6 -17.031 14.665 -4.031 42 HA ALA 6 HA ALA 6 -17.997 12.792 -2.013 43 HB1 ALA 6 HB1 ALA 6 -18.099 11.755 -4.717 44 HB2 ALA 6 HB2 ALA 6 -18.667 13.425 -4.676 45 HB3 ALA 6 HB3 ALA 6 -19.432 12.210 -3.654 46 H ALA 7 H ALA 7 -15.036 13.204 -3.551 47 HA ALA 7 HA ALA 7 -14.256 10.506 -4.093 48 HB1 ALA 7 HB1 ALA 7 -12.429 12.718 -3.123 49 HB2 ALA 7 HB2 ALA 7 -13.017 12.615 -4.782 50 HB3 ALA 7 HB3 ALA 7 -12.001 11.331 -4.127 51 H ASP 8 H ASP 8 -13.544 8.904 -2.745 52 HA ASP 8 HA ASP 8 -13.311 9.574 0.164 53 HB2 ASP 8 HB3 ASP 8 -14.374 7.082 -1.192 54 HB3 ASP 8 HB2 ASP 8 -14.056 7.194 0.539 55 H MET 9 H MET 9 -11.445 9.059 -2.359 56 HA MET 9 HA MET 9 -9.803 6.869 -1.302 57 HB2 MET 9 HB3 MET 9 -9.463 8.690 -3.696 58 HB3 MET 9 HB2 MET 9 -8.341 7.399 -3.283 59 HG2 MET 9 HG3 MET 9 -11.270 7.120 -4.012 60 HG3 MET 9 HG2 MET 9 -9.884 6.531 -4.928 61 HE1 MET 9 HE1 MET 9 -8.310 3.953 -2.497 62 HE2 MET 9 HE2 MET 9 -8.210 5.629 -1.970 63 HE3 MET 9 HE3 MET 9 -8.016 5.236 -3.676 64 H GLU 10 H GLU 10 -10.199 9.798 -0.193 65 HA GLU 10 HA GLU 10 -7.505 10.857 -0.169 66 HB2 GLU 10 HB3 GLU 10 -9.546 12.247 0.218 67 HB3 GLU 10 HB2 GLU 10 -9.787 11.408 1.749 68 HG2 GLU 10 HG3 GLU 10 -7.534 12.161 2.489 69 HG3 GLU 10 HG2 GLU 10 -7.366 13.063 0.982 70 H HIS 11 H HIS 11 -9.214 8.446 1.636 71 HA HIS 11 HA HIS 11 -7.082 8.424 3.715 72 HB2 HIS 11 HB3 HIS 11 -9.788 7.062 3.608 73 HB3 HIS 11 HB2 HIS 11 -8.634 6.899 4.932 74 HD1 HIS 11 HD1 HIS 11 -11.121 9.243 3.443 75 HD2 HIS 11 HD2 HIS 11 -8.266 9.307 6.487 76 HE1 HIS 11 HE1 HIS 11 -11.570 11.333 4.806 77 HE2 HIS 11 HE2 HIS 11 -9.852 11.365 6.676 78 H CYS 12 H CYS 12 -5.479 7.003 3.399 79 HA CYS 12 HA CYS 12 -5.869 4.719 1.549 80 HB2 CYS 12 HB3 CYS 12 -3.374 5.702 2.959 81 HB3 CYS 12 HB2 CYS 12 -3.435 4.491 1.679 82 H ALA 13 H ALA 13 -5.926 2.609 2.287 83 HA ALA 13 HA ALA 13 -5.233 2.130 5.145 84 HB1 ALA 13 HB1 ALA 13 -7.754 2.433 4.736 85 HB2 ALA 13 HB2 ALA 13 -7.246 0.975 5.586 86 HB3 ALA 13 HB3 ALA 13 -7.671 0.893 3.878 87 H ASP 14 H ASP 14 -4.575 -0.040 5.586 88 HA ASP 14 HA ASP 14 -3.297 -1.362 3.345 89 HB2 ASP 14 HB3 ASP 14 -2.637 -3.058 5.030 90 HB3 ASP 14 HB2 ASP 14 -2.290 -1.422 5.586 91 H GLU 15 H GLU 15 -3.965 -3.221 2.270 92 HA GLU 15 HA GLU 15 -6.780 -3.801 2.226 93 HB2 GLU 15 HB3 GLU 15 -4.357 -4.778 0.863 94 HB3 GLU 15 HB2 GLU 15 -5.614 -5.997 1.053 95 HG2 GLU 15 HG3 GLU 15 -5.741 -4.565 -1.069 96 HG3 GLU 15 HG2 GLU 15 -7.219 -4.676 -0.112 97 H LYS 16 H LYS 16 -7.935 -5.464 3.182 98 HA LYS 16 HA LYS 16 -6.610 -6.786 5.458 99 HB2 LYS 16 HB3 LYS 16 -8.836 -7.387 6.174 100 HB3 LYS 16 HB2 LYS 16 -8.870 -5.700 5.667 101 HG2 LYS 16 HG3 LYS 16 -9.704 -6.421 3.433 102 HG3 LYS 16 HG2 LYS 16 -9.760 -8.085 4.021 103 HD2 LYS 16 HD3 LYS 16 -11.240 -7.237 5.908 104 HD3 LYS 16 HD2 LYS 16 -11.362 -5.722 5.014 105 HE2 LYS 16 HE3 LYS 16 -13.252 -7.028 4.348 106 HE3 LYS 16 HE2 LYS 16 -12.103 -7.121 3.012 107 HZ1 LYS 16 HZ1 LYS 16 -13.123 -9.211 4.623 108 HZ2 LYS 16 HZ2 LYS 16 -11.432 -9.149 4.763 109 HZ3 LYS 16 HZ3 LYS 16 -12.156 -9.309 3.233 110 H ASN 17 H ASN 17 -7.726 -7.552 2.254 111 HA ASN 17 HA ASN 17 -7.751 -10.447 2.772 112 HB2 ASN 17 HB3 ASN 17 -7.906 -8.936 0.143 113 HB3 ASN 17 HB2 ASN 17 -8.285 -10.645 0.393 114 HD21 ASN 17 HD21 ASN 17 -9.702 -7.591 0.232 115 HD22 ASN 17 HD22 ASN 17 -11.143 -7.929 1.060 116 H PHE 18 H PHE 18 -5.395 -8.122 2.217 117 HA PHE 18 HA PHE 18 -3.556 -10.138 0.997 118 HB2 PHE 18 HB3 PHE 18 -3.898 -7.937 -0.225 119 HB3 PHE 18 HB2 PHE 18 -3.139 -7.140 1.154 120 HD1 PHE 18 HD2 PHE 18 -2.604 -9.664 -1.520 121 HD2 PHE 18 HD1 PHE 18 -0.771 -7.195 1.473 122 HE1 PHE 18 HE2 PHE 18 -0.369 -10.220 -2.435 123 HE2 PHE 18 HE1 PHE 18 1.464 -7.742 0.554 124 HZ PHE 18 HZ PHE 18 1.668 -9.258 -1.395 125 H ASP 19 H ASP 19 -1.762 -10.749 2.191 126 HA ASP 19 HA ASP 19 -1.687 -9.904 4.998 127 HB2 ASP 19 HB3 ASP 19 0.141 -11.761 3.439 128 HB3 ASP 19 HB2 ASP 19 0.146 -11.547 5.190 129 H CYS 20 H CYS 20 -1.150 -7.655 4.687 130 HA CYS 20 HA CYS 20 1.193 -6.804 3.244 131 HB2 CYS 20 HB3 CYS 20 -0.143 -5.363 5.547 132 HB3 CYS 20 HB2 CYS 20 0.778 -4.648 4.223 133 H ARG 21 H ARG 21 0.580 -7.758 6.578 134 HA ARG 21 HA ARG 21 3.048 -6.905 7.730 135 HB2 ARG 21 HB3 ARG 21 0.907 -7.853 8.852 136 HB3 ARG 21 HB2 ARG 21 1.604 -9.436 8.512 137 HG2 ARG 21 HG3 ARG 21 3.131 -7.280 9.983 138 HG3 ARG 21 HG2 ARG 21 2.117 -8.456 10.817 139 HD2 ARG 21 HD3 ARG 21 3.457 -10.262 9.590 140 HD3 ARG 21 HD2 ARG 21 4.586 -8.980 9.156 141 HE ARG 21 HE ARG 21 4.324 -10.186 11.780 142 HH11 ARG 21 HH21 ARG 21 5.079 -7.335 9.992 143 HH12 ARG 21 HH22 ARG 21 6.136 -6.694 11.205 144 HH21 ARG 21 HH11 ARG 21 5.707 -9.364 13.373 145 HH22 ARG 21 HH12 ARG 21 6.486 -7.837 13.119 146 H ARG 22 H ARG 22 2.097 -10.003 6.240 147 HA ARG 22 HA ARG 22 4.696 -11.211 6.545 148 HB2 ARG 22 HB3 ARG 22 3.119 -12.851 6.158 149 HB3 ARG 22 HB2 ARG 22 2.185 -11.831 5.065 150 HG2 ARG 22 HG3 ARG 22 3.711 -12.174 3.271 151 HG3 ARG 22 HG2 ARG 22 4.914 -12.887 4.342 152 HD2 ARG 22 HD3 ARG 22 3.380 -14.786 4.779 153 HD3 ARG 22 HD2 ARG 22 2.206 -14.077 3.669 154 HE ARG 22 HE ARG 22 4.523 -15.608 2.896 155 HH11 ARG 22 HH21 ARG 22 2.602 -12.856 2.104 156 HH12 ARG 22 HH22 ARG 22 2.935 -12.946 0.407 157 HH21 ARG 22 HH11 ARG 22 4.966 -15.744 0.685 158 HH22 ARG 22 HH12 ARG 22 4.275 -14.579 -0.398 159 H SER 23 H SER 23 3.061 -9.539 3.872 160 HA SER 23 HA SER 23 5.216 -9.805 2.007 161 HB2 SER 23 HB3 SER 23 3.019 -7.729 2.220 162 HB3 SER 23 HB2 SER 23 4.095 -7.895 0.837 163 HG SER 23 HG SER 23 2.066 -9.594 1.768 164 H LEU 24 H LEU 24 4.466 -7.389 4.499 165 HA LEU 24 HA LEU 24 6.472 -5.485 3.755 166 HB2 LEU 24 HB3 LEU 24 4.649 -4.963 5.331 167 HB3 LEU 24 HB2 LEU 24 5.333 -6.094 6.497 168 HG LEU 24 HG LEU 24 7.483 -4.729 6.375 169 HD11 LEU 24 HD11 LEU 24 7.350 -3.416 4.460 170 HD12 LEU 24 HD12 LEU 24 6.841 -2.261 5.694 171 HD13 LEU 24 HD13 LEU 24 5.637 -3.070 4.690 172 HD21 LEU 24 HD21 LEU 24 4.880 -3.803 7.523 173 HD22 LEU 24 HD22 LEU 24 6.282 -2.742 7.657 174 HD23 LEU 24 HD23 LEU 24 6.331 -4.363 8.352 175 H ARG 25 H ARG 25 6.582 -8.091 6.234 176 HA ARG 25 HA ARG 25 9.345 -7.618 6.877 177 HB2 ARG 25 HB3 ARG 25 9.272 -9.757 8.040 178 HB3 ARG 25 HB2 ARG 25 7.767 -8.889 8.353 179 HG2 ARG 25 HG3 ARG 25 6.755 -10.163 6.415 180 HG3 ARG 25 HG2 ARG 25 8.213 -11.155 6.398 181 HD2 ARG 25 HD3 ARG 25 7.791 -11.702 8.812 182 HD3 ARG 25 HD2 ARG 25 6.261 -10.836 8.693 183 HE ARG 25 HE ARG 25 6.459 -12.827 6.615 184 HH11 ARG 25 HH21 ARG 25 5.968 -12.337 9.989 185 HH12 ARG 25 HH22 ARG 25 4.964 -13.735 10.183 186 HH21 ARG 25 HH11 ARG 25 5.146 -14.652 6.840 187 HH22 ARG 25 HH12 ARG 25 4.487 -15.042 8.395 188 H ASN 26 H ASN 26 7.748 -9.283 4.305 189 HA ASN 26 HA ASN 26 10.045 -10.916 3.537 190 HB2 ASN 26 HB3 ASN 26 7.494 -10.124 2.098 191 HB3 ASN 26 HB2 ASN 26 8.701 -11.212 1.412 192 HD21 ASN 26 HD21 ASN 26 6.005 -12.059 1.992 193 HD22 ASN 26 HD22 ASN 26 6.080 -13.220 3.227 194 H GLY 27 H GLY 27 9.458 -7.658 3.482 195 HA2 GLY 27 HA3 GLY 27 10.778 -5.943 2.531 196 HA3 GLY 27 HA2 GLY 27 11.648 -7.169 1.608 197 H ASP 28 H ASP 28 8.192 -7.224 1.500 198 HA ASP 28 HA ASP 28 8.060 -7.061 -1.321 199 HB2 ASP 28 HB3 ASP 28 6.248 -7.929 0.170 200 HB3 ASP 28 HB2 ASP 28 5.895 -6.266 0.645 201 H CYS 29 H CYS 29 7.772 -4.528 1.148 202 HA CYS 29 HA CYS 29 7.088 -2.413 -0.680 203 HB2 CYS 29 HB3 CYS 29 8.620 -2.134 1.918 204 HB3 CYS 29 HB2 CYS 29 7.622 -0.915 1.129 205 H ASP 30 H ASP 30 10.010 -4.085 0.048 206 HA ASP 30 HA ASP 30 11.691 -1.936 -1.089 207 HB2 ASP 30 HB3 ASP 30 12.337 -4.625 0.142 208 HB3 ASP 30 HB2 ASP 30 13.560 -3.549 -0.538 209 H ASN 31 H ASN 31 9.795 -4.303 -2.368 210 HA ASN 31 HA ASN 31 11.733 -5.005 -4.521 211 HB2 ASN 31 HB3 ASN 31 10.350 -6.769 -3.275 212 HB3 ASN 31 HB2 ASN 31 8.956 -6.124 -4.139 213 HD21 ASN 31 HD21 ASN 31 9.176 -8.557 -4.929 214 HD22 ASN 31 HD22 ASN 31 10.069 -8.782 -6.356 215 H ASP 32 H ASP 32 11.655 -3.695 -6.277 216 HA ASP 32 HA ASP 32 9.625 -1.766 -6.757 217 HB2 ASP 32 HB3 ASP 32 11.953 -1.785 -7.769 218 HB3 ASP 32 HB2 ASP 32 11.369 -3.018 -8.891 219 H ASP 33 H ASP 33 9.939 -5.110 -7.737 220 HA ASP 33 HA ASP 33 7.854 -5.105 -9.712 221 HB2 ASP 33 HB3 ASP 33 9.591 -6.911 -9.374 222 HB3 ASP 33 HB2 ASP 33 8.690 -7.419 -7.946 223 H LYS 34 H LYS 34 7.846 -5.155 -6.228 224 HA LYS 34 HA LYS 34 4.909 -5.706 -6.278 225 HB2 LYS 34 HB3 LYS 34 6.738 -5.813 -3.871 226 HB3 LYS 34 HB2 LYS 34 5.100 -6.450 -4.012 227 HG2 LYS 34 HG3 LYS 34 6.021 -7.931 -5.904 228 HG3 LYS 34 HG2 LYS 34 7.619 -7.485 -5.307 229 HD2 LYS 34 HD3 LYS 34 6.991 -8.301 -3.050 230 HD3 LYS 34 HD2 LYS 34 5.426 -8.806 -3.687 231 HE2 LYS 34 HE3 LYS 34 6.543 -10.330 -5.264 232 HE3 LYS 34 HE2 LYS 34 8.117 -9.816 -4.656 233 HZ1 LYS 34 HZ1 LYS 34 5.988 -11.155 -3.080 234 HZ2 LYS 34 HZ2 LYS 34 7.475 -10.617 -2.459 235 HZ3 LYS 34 HZ3 LYS 34 7.436 -11.864 -3.610 236 H LEU 35 H LEU 35 7.056 -3.178 -6.146 237 HA LEU 35 HA LEU 35 6.127 -1.589 -3.995 238 HB2 LEU 35 HB3 LEU 35 7.414 -1.022 -6.630 239 HB3 LEU 35 HB2 LEU 35 6.695 0.333 -5.757 240 HG LEU 35 HG LEU 35 8.712 -1.607 -4.588 241 HD11 LEU 35 HD11 LEU 35 9.203 0.418 -6.404 242 HD12 LEU 35 HD12 LEU 35 10.375 -0.214 -5.246 243 HD13 LEU 35 HD13 LEU 35 9.434 1.227 -4.855 244 HD21 LEU 35 HD21 LEU 35 7.785 -0.814 -2.666 245 HD22 LEU 35 HD22 LEU 35 6.978 0.514 -3.499 246 HD23 LEU 35 HD23 LEU 35 8.672 0.662 -3.035 247 H LEU 36 H LEU 36 4.938 -1.717 -7.361 248 HA LEU 36 HA LEU 36 2.797 0.153 -6.924 249 HB2 LEU 36 HB3 LEU 36 3.589 -0.482 -9.186 250 HB3 LEU 36 HB2 LEU 36 2.967 -2.114 -8.934 251 HG LEU 36 HG LEU 36 1.027 0.049 -8.394 252 HD11 LEU 36 HD11 LEU 36 0.585 0.495 -10.758 253 HD12 LEU 36 HD12 LEU 36 1.917 -0.561 -11.226 254 HD13 LEU 36 HD13 LEU 36 2.247 0.944 -10.372 255 HD21 LEU 36 HD21 LEU 36 1.020 -2.561 -9.941 256 HD22 LEU 36 HD22 LEU 36 -0.400 -1.530 -9.753 257 HD23 LEU 36 HD23 LEU 36 0.344 -2.279 -8.338 258 H GLU 37 H GLU 37 3.076 -3.357 -6.628 259 HA GLU 37 HA GLU 37 0.331 -3.928 -6.154 260 HB2 GLU 37 HB3 GLU 37 2.812 -5.280 -5.040 261 HB3 GLU 37 HB2 GLU 37 1.190 -5.975 -5.037 262 HG2 GLU 37 HG3 GLU 37 2.715 -5.135 -7.523 263 HG3 GLU 37 HG2 GLU 37 2.553 -6.797 -6.954 264 H MET 38 H MET 38 2.944 -2.906 -3.990 265 HA MET 38 HA MET 38 1.402 -3.099 -1.557 266 HB2 MET 38 HB3 MET 38 3.874 -1.548 -2.325 267 HB3 MET 38 HB2 MET 38 3.194 -1.511 -0.701 268 HG2 MET 38 HG3 MET 38 4.021 -4.025 -2.171 269 HG3 MET 38 HG2 MET 38 5.002 -3.218 -0.950 270 HE1 MET 38 HE1 MET 38 2.892 -6.369 -1.131 271 HE2 MET 38 HE2 MET 38 2.091 -5.075 -2.016 272 HE3 MET 38 HE3 MET 38 1.315 -5.775 -0.598 273 H GLY 39 H GLY 39 2.193 -0.372 -3.718 274 HA2 GLY 39 HA3 GLY 39 0.841 1.651 -2.268 275 HA3 GLY 39 HA2 GLY 39 1.081 1.673 -4.016 276 H TYR 40 H TYR 40 -0.319 -0.929 -4.278 277 HA TYR 40 HA TYR 40 -3.063 0.164 -4.347 278 HB2 TYR 40 HB3 TYR 40 -2.245 -0.866 -6.383 279 HB3 TYR 40 HB2 TYR 40 -1.807 -2.336 -5.511 280 HD1 TYR 40 HD2 TYR 40 -3.566 -3.771 -4.517 281 HD2 TYR 40 HD1 TYR 40 -4.512 -0.433 -7.041 282 HE1 TYR 40 HE2 TYR 40 -5.856 -4.661 -4.822 283 HE2 TYR 40 HE1 TYR 40 -6.808 -1.321 -7.351 284 HH TYR 40 HH TYR 40 -7.967 -4.086 -5.514 285 H TYR 41 H TYR 41 -1.445 -2.834 -3.228 286 HA TYR 41 HA TYR 41 -3.822 -3.675 -1.777 287 HB2 TYR 41 HB3 TYR 41 -1.021 -4.746 -2.045 288 HB3 TYR 41 HB2 TYR 41 -2.147 -5.433 -0.875 289 HD1 TYR 41 HD1 TYR 41 -4.407 -6.267 -1.699 290 HD2 TYR 41 HD2 TYR 41 -1.176 -5.298 -4.352 291 HE1 TYR 41 HE1 TYR 41 -5.492 -7.584 -3.499 292 HE2 TYR 41 HE2 TYR 41 -2.260 -6.616 -6.152 293 HH TYR 41 HH TYR 41 -5.227 -8.466 -5.541 294 H CYS 42 H CYS 42 -0.551 -2.588 -0.738 295 HA CYS 42 HA CYS 42 -1.858 -1.746 1.804 296 HB2 CYS 42 HB3 CYS 42 0.892 -2.936 1.836 297 HB3 CYS 42 HB2 CYS 42 -0.282 -2.795 3.147 298 HA PRO 43 HA PRO 43 0.775 1.623 -0.052 299 HB2 PRO 43 HB3 PRO 43 -1.061 3.609 0.473 300 HB3 PRO 43 HB2 PRO 43 -1.013 2.687 -1.041 301 HG2 PRO 43 HG3 PRO 43 -2.784 2.353 1.323 302 HG3 PRO 43 HG2 PRO 43 -3.159 2.194 -0.399 303 HD2 PRO 43 HD3 PRO 43 -2.781 0.038 1.218 304 HD3 PRO 43 HD2 PRO 43 -2.364 0.017 -0.509 305 H VAL 44 H VAL 44 -1.160 1.487 2.905 306 HA VAL 44 HA VAL 44 0.444 3.490 4.297 307 HB VAL 44 HB VAL 44 -1.564 1.456 5.316 308 HG11 VAL 44 HG11 VAL 44 -1.607 3.296 7.209 309 HG12 VAL 44 HG12 VAL 44 0.032 3.619 6.643 310 HG13 VAL 44 HG13 VAL 44 -0.395 2.017 7.246 311 HG21 VAL 44 HG21 VAL 44 -2.043 4.406 5.160 312 HG22 VAL 44 HG22 VAL 44 -3.197 3.077 5.043 313 HG23 VAL 44 HG23 VAL 44 -2.156 3.461 3.674 314 H THR 45 H THR 45 0.156 -0.053 4.346 315 HA THR 45 HA THR 45 1.979 -0.633 6.404 316 HB THR 45 HB THR 45 1.628 -2.188 3.833 317 HG1 THR 45 HG1 THR 45 -0.039 -1.674 5.928 318 HG21 THR 45 HG21 THR 45 3.199 -2.593 6.194 319 HG22 THR 45 HG22 THR 45 3.053 -3.629 4.775 320 HG23 THR 45 HG23 THR 45 1.939 -3.825 6.127 321 H CYS 46 H CYS 46 2.640 0.014 2.961 322 HA CYS 46 HA CYS 46 5.512 -0.422 3.395 323 HB2 CYS 46 HB3 CYS 46 3.862 0.364 0.996 324 HB3 CYS 46 HB2 CYS 46 5.624 0.329 0.956 325 H GLY 47 H GLY 47 3.478 2.133 4.035 326 HA2 GLY 47 HA3 GLY 47 4.075 4.293 4.775 327 HA3 GLY 47 HA2 GLY 47 5.746 3.929 4.360 328 H PHE 48 H PHE 48 3.015 3.708 2.110 329 HA PHE 48 HA PHE 48 4.334 5.846 0.493 330 HB2 PHE 48 HB3 PHE 48 2.245 3.805 -0.332 331 HB3 PHE 48 HB2 PHE 48 3.063 4.939 -1.404 332 HD1 PHE 48 HD1 PHE 48 5.785 4.581 0.283 333 HD2 PHE 48 HD2 PHE 48 3.057 1.915 -1.696 334 HE1 PHE 48 HE1 PHE 48 7.615 2.953 -0.049 335 HE2 PHE 48 HE2 PHE 48 4.896 0.291 -2.024 336 HZ PHE 48 HZ PHE 48 7.172 0.809 -1.198 337 H CYS 49 H CYS 49 1.690 5.129 2.475 338 HA CYS 49 HA CYS 49 0.529 7.777 1.914 339 HB2 CYS 49 HB3 CYS 49 -0.590 5.837 0.510 340 HB3 CYS 49 HB2 CYS 49 -1.384 5.476 2.044 341 H GLU 50 H GLU 50 -1.375 8.107 3.584 342 HA GLU 50 HA GLU 50 -0.391 7.029 6.184 343 HB2 GLU 50 HB3 GLU 50 -1.606 9.600 5.324 344 HB3 GLU 50 HB2 GLU 50 -2.096 9.003 6.910 345 HG2 GLU 50 HG3 GLU 50 0.065 9.118 7.774 346 HG3 GLU 50 HG2 GLU 50 0.815 8.986 6.183 347 HA PRO 51 HA PRO 51 -4.097 4.704 6.774 348 HB2 PRO 51 HB3 PRO 51 -4.404 4.858 9.484 349 HB3 PRO 51 HB2 PRO 51 -3.145 3.883 8.706 350 HG2 PRO 51 HG3 PRO 51 -2.949 6.556 9.992 351 HG3 PRO 51 HG2 PRO 51 -1.804 5.205 10.014 352 HD2 PRO 51 HD3 PRO 51 -1.500 7.414 8.409 353 HD3 PRO 51 HD2 PRO 51 -0.842 5.813 8.010 Start of MODEL 27 1 HA ASN 1 HA ASN 1 -17.665 22.966 -5.241 2 HB2 ASN 1 HB3 ASN 1 -16.779 25.554 -6.560 3 HB3 ASN 1 HB2 ASN 1 -18.200 24.609 -7.011 4 HD21 ASN 1 HD21 ASN 1 -17.892 24.281 -3.699 5 HD22 ASN 1 HD22 ASN 1 -18.910 25.547 -3.204 6 H ASP 2 H ASP 2 -14.471 22.848 -5.576 7 HA ASP 2 HA ASP 2 -14.095 22.453 -8.408 8 HB2 ASP 2 HB3 ASP 2 -11.959 21.409 -7.754 9 HB3 ASP 2 HB2 ASP 2 -12.218 22.912 -6.869 10 H ILE 3 H ILE 3 -14.077 20.525 -9.595 11 HA ILE 3 HA ILE 3 -15.838 18.418 -8.614 12 HB ILE 3 HB ILE 3 -14.157 18.574 -11.134 13 HG12 ILE 3 HG13 ILE 3 -17.111 19.124 -10.700 14 HG13 ILE 3 HG12 ILE 3 -15.882 20.378 -10.851 15 HG21 ILE 3 HG21 ILE 3 -16.173 16.932 -11.772 16 HG22 ILE 3 HG22 ILE 3 -16.103 16.591 -10.043 17 HG23 ILE 3 HG23 ILE 3 -14.681 16.330 -11.053 18 HD11 ILE 3 HD11 ILE 3 -15.369 18.792 -13.046 19 HD12 ILE 3 HD12 ILE 3 -16.312 20.281 -13.073 20 HD13 ILE 3 HD13 ILE 3 -17.129 18.725 -12.935 21 H ARG 4 H ARG 4 -12.677 19.095 -7.998 22 HA ARG 4 HA ARG 4 -11.562 16.403 -8.224 23 HB2 ARG 4 HB3 ARG 4 -10.566 18.851 -6.729 24 HB3 ARG 4 HB2 ARG 4 -9.640 17.373 -6.995 25 HG2 ARG 4 HG3 ARG 4 -9.855 17.707 -9.451 26 HG3 ARG 4 HG2 ARG 4 -10.709 19.222 -9.150 27 HD2 ARG 4 HD3 ARG 4 -8.693 19.984 -7.821 28 HD3 ARG 4 HD2 ARG 4 -7.850 18.550 -8.408 29 HE ARG 4 HE ARG 4 -8.406 20.954 -9.952 30 HH11 ARG 4 HH21 ARG 4 -7.976 17.532 -10.030 31 HH12 ARG 4 HH22 ARG 4 -7.425 17.507 -11.672 32 HH21 ARG 4 HH11 ARG 4 -7.710 20.934 -12.107 33 HH22 ARG 4 HH12 ARG 4 -7.294 19.427 -12.852 34 H THR 5 H THR 5 -13.866 17.652 -6.250 35 HA THR 5 HA THR 5 -12.945 16.540 -3.705 36 HB THR 5 HB THR 5 -14.517 18.542 -3.999 37 HG1 THR 5 HG1 THR 5 -15.749 17.872 -2.184 38 HG21 THR 5 HG21 THR 5 -15.915 17.089 -5.683 39 HG22 THR 5 HG22 THR 5 -16.747 18.205 -4.600 40 HG23 THR 5 HG23 THR 5 -16.692 16.484 -4.222 41 H ALA 6 H ALA 6 -14.139 15.200 -6.517 42 HA ALA 6 HA ALA 6 -15.862 13.176 -5.273 43 HB1 ALA 6 HB1 ALA 6 -16.362 13.931 -7.542 44 HB2 ALA 6 HB2 ALA 6 -15.946 12.219 -7.566 45 HB3 ALA 6 HB3 ALA 6 -14.764 13.418 -8.090 46 H ALA 7 H ALA 7 -12.512 13.578 -5.654 47 HA ALA 7 HA ALA 7 -11.797 10.800 -6.070 48 HB1 ALA 7 HB1 ALA 7 -9.537 11.520 -5.379 49 HB2 ALA 7 HB2 ALA 7 -10.196 13.066 -4.842 50 HB3 ALA 7 HB3 ALA 7 -10.225 12.640 -6.555 51 H ASP 8 H ASP 8 -11.807 9.183 -4.568 52 HA ASP 8 HA ASP 8 -12.191 9.966 -1.706 53 HB2 ASP 8 HB3 ASP 8 -13.173 7.747 -1.389 54 HB3 ASP 8 HB2 ASP 8 -14.000 8.578 -2.710 55 H MET 9 H MET 9 -9.699 9.427 -3.544 56 HA MET 9 HA MET 9 -8.464 7.186 -2.134 57 HB2 MET 9 HB3 MET 9 -7.360 9.141 -4.169 58 HB3 MET 9 HB2 MET 9 -6.460 7.772 -3.526 59 HG2 MET 9 HG3 MET 9 -8.993 7.701 -5.184 60 HG3 MET 9 HG2 MET 9 -7.410 7.048 -5.609 61 HE1 MET 9 HE1 MET 9 -6.890 5.974 -2.321 62 HE2 MET 9 HE2 MET 9 -6.158 5.559 -3.866 63 HE3 MET 9 HE3 MET 9 -6.918 4.302 -2.897 64 H GLU 10 H GLU 10 -9.215 9.967 -0.910 65 HA GLU 10 HA GLU 10 -6.670 11.040 -0.041 66 HB2 GLU 10 HB3 GLU 10 -8.782 12.375 -0.044 67 HB3 GLU 10 HB2 GLU 10 -9.383 11.362 1.272 68 HG2 GLU 10 HG3 GLU 10 -7.416 12.002 2.643 69 HG3 GLU 10 HG2 GLU 10 -6.874 13.063 1.343 70 H HIS 11 H HIS 11 -8.818 8.530 1.113 71 HA HIS 11 HA HIS 11 -7.142 8.245 3.561 72 HB2 HIS 11 HB3 HIS 11 -9.828 7.037 2.839 73 HB3 HIS 11 HB2 HIS 11 -8.967 6.756 4.353 74 HD1 HIS 11 HD1 HIS 11 -10.992 9.303 2.529 75 HD2 HIS 11 HD2 HIS 11 -8.840 9.046 6.091 76 HE1 HIS 11 HE1 HIS 11 -11.646 11.325 3.909 77 HE2 HIS 11 HE2 HIS 11 -10.339 11.177 6.080 78 H CYS 12 H CYS 12 -5.589 6.744 3.466 79 HA CYS 12 HA CYS 12 -5.864 4.526 1.487 80 HB2 CYS 12 HB3 CYS 12 -3.380 5.545 2.894 81 HB3 CYS 12 HB2 CYS 12 -3.433 4.369 1.582 82 H ALA 13 H ALA 13 -5.912 2.421 2.259 83 HA ALA 13 HA ALA 13 -5.245 1.980 5.132 84 HB1 ALA 13 HB1 ALA 13 -7.743 2.265 4.769 85 HB2 ALA 13 HB2 ALA 13 -7.263 0.734 5.503 86 HB3 ALA 13 HB3 ALA 13 -7.688 0.800 3.794 87 H ASP 14 H ASP 14 -4.562 -0.189 5.600 88 HA ASP 14 HA ASP 14 -3.233 -1.522 3.399 89 HB2 ASP 14 HB3 ASP 14 -3.743 -2.376 6.264 90 HB3 ASP 14 HB2 ASP 14 -2.728 -3.271 5.133 91 H GLU 15 H GLU 15 -3.986 -3.234 2.177 92 HA GLU 15 HA GLU 15 -6.760 -3.794 2.052 93 HB2 GLU 15 HB3 GLU 15 -4.302 -4.898 0.875 94 HB3 GLU 15 HB2 GLU 15 -5.595 -6.083 1.047 95 HG2 GLU 15 HG3 GLU 15 -5.584 -4.749 -1.136 96 HG3 GLU 15 HG2 GLU 15 -7.108 -4.771 -0.252 97 H LYS 16 H LYS 16 -8.059 -5.291 3.072 98 HA LYS 16 HA LYS 16 -6.984 -6.548 5.487 99 HB2 LYS 16 HB3 LYS 16 -9.270 -7.170 5.952 100 HB3 LYS 16 HB2 LYS 16 -9.272 -5.510 5.360 101 HG2 LYS 16 HG3 LYS 16 -9.770 -6.390 3.065 102 HG3 LYS 16 HG2 LYS 16 -9.926 -8.004 3.769 103 HD2 LYS 16 HD3 LYS 16 -11.630 -6.995 5.372 104 HD3 LYS 16 HD2 LYS 16 -11.617 -5.566 4.341 105 HE2 LYS 16 HE3 LYS 16 -13.383 -6.810 3.439 106 HE3 LYS 16 HE2 LYS 16 -12.031 -7.276 2.405 107 HZ1 LYS 16 HZ1 LYS 16 -12.005 -9.347 3.228 108 HZ2 LYS 16 HZ2 LYS 16 -13.603 -9.009 3.696 109 HZ3 LYS 16 HZ3 LYS 16 -12.334 -8.846 4.814 110 H ASN 17 H ASN 17 -7.943 -7.556 2.256 111 HA ASN 17 HA ASN 17 -7.768 -10.407 2.973 112 HB2 ASN 17 HB3 ASN 17 -8.126 -9.079 0.268 113 HB3 ASN 17 HB2 ASN 17 -8.302 -10.801 0.603 114 HD21 ASN 17 HD21 ASN 17 -10.174 -8.163 0.080 115 HD22 ASN 17 HD22 ASN 17 -11.503 -8.533 1.069 116 H PHE 18 H PHE 18 -5.507 -8.066 2.440 117 HA PHE 18 HA PHE 18 -3.630 -9.970 1.091 118 HB2 PHE 18 HB3 PHE 18 -4.058 -7.713 -0.001 119 HB3 PHE 18 HB2 PHE 18 -3.277 -6.978 1.398 120 HD1 PHE 18 HD2 PHE 18 -2.788 -9.092 -1.579 121 HD2 PHE 18 HD1 PHE 18 -0.885 -7.244 1.800 122 HE1 PHE 18 HE2 PHE 18 -0.565 -9.539 -2.587 123 HE2 PHE 18 HE1 PHE 18 1.334 -7.688 0.788 124 HZ PHE 18 HZ PHE 18 1.496 -8.836 -1.400 125 H ASP 19 H ASP 19 -1.859 -10.661 2.265 126 HA ASP 19 HA ASP 19 -1.715 -9.886 5.090 127 HB2 ASP 19 HB3 ASP 19 0.099 -11.689 3.451 128 HB3 ASP 19 HB2 ASP 19 0.093 -11.551 5.210 129 H CYS 20 H CYS 20 -1.184 -7.617 4.793 130 HA CYS 20 HA CYS 20 1.157 -6.772 3.328 131 HB2 CYS 20 HB3 CYS 20 -0.195 -5.318 5.617 132 HB3 CYS 20 HB2 CYS 20 0.765 -4.611 4.316 133 H ARG 21 H ARG 21 0.530 -7.701 6.663 134 HA ARG 21 HA ARG 21 2.997 -6.831 7.793 135 HB2 ARG 21 HB3 ARG 21 0.838 -7.821 8.897 136 HB3 ARG 21 HB2 ARG 21 1.631 -9.374 8.637 137 HG2 ARG 21 HG3 ARG 21 2.814 -7.023 10.141 138 HG3 ARG 21 HG2 ARG 21 2.151 -8.479 10.879 139 HD2 ARG 21 HD3 ARG 21 3.862 -9.753 9.401 140 HD3 ARG 21 HD2 ARG 21 4.642 -8.183 9.210 141 HE ARG 21 HE ARG 21 4.096 -9.036 11.982 142 HH11 ARG 21 HH21 ARG 21 6.269 -8.712 9.321 143 HH12 ARG 21 HH22 ARG 21 7.691 -8.799 10.306 144 HH21 ARG 21 HH11 ARG 21 5.940 -9.166 13.275 145 HH22 ARG 21 HH12 ARG 21 7.507 -9.062 12.542 146 H ARG 22 H ARG 22 2.051 -9.948 6.322 147 HA ARG 22 HA ARG 22 4.644 -11.164 6.616 148 HB2 ARG 22 HB3 ARG 22 3.031 -12.770 6.207 149 HB3 ARG 22 HB2 ARG 22 2.156 -11.745 5.071 150 HG2 ARG 22 HG3 ARG 22 3.749 -12.127 3.337 151 HG3 ARG 22 HG2 ARG 22 4.894 -12.857 4.459 152 HD2 ARG 22 HD3 ARG 22 3.396 -14.759 4.801 153 HD3 ARG 22 HD2 ARG 22 2.174 -14.009 3.776 154 HE ARG 22 HE ARG 22 4.852 -14.717 2.651 155 HH11 ARG 22 HH21 ARG 22 1.396 -14.867 2.688 156 HH12 ARG 22 HH22 ARG 22 1.291 -15.722 1.188 157 HH21 ARG 22 HH11 ARG 22 4.710 -15.838 0.681 158 HH22 ARG 22 HH12 ARG 22 3.154 -16.276 0.060 159 H SER 23 H SER 23 3.032 -9.550 3.896 160 HA SER 23 HA SER 23 5.179 -9.799 2.044 161 HB2 SER 23 HB3 SER 23 3.006 -7.708 2.299 162 HB3 SER 23 HB2 SER 23 4.064 -7.864 0.898 163 HG SER 23 HG SER 23 2.223 -9.763 1.937 164 H LEU 24 H LEU 24 4.490 -7.386 4.557 165 HA LEU 24 HA LEU 24 6.498 -5.499 3.779 166 HB2 LEU 24 HB3 LEU 24 4.737 -4.955 5.418 167 HB3 LEU 24 HB2 LEU 24 5.437 -6.102 6.557 168 HG LEU 24 HG LEU 24 7.612 -4.777 6.339 169 HD11 LEU 24 HD11 LEU 24 7.352 -3.471 4.419 170 HD12 LEU 24 HD12 LEU 24 7.043 -2.310 5.710 171 HD13 LEU 24 HD13 LEU 24 5.696 -3.028 4.827 172 HD21 LEU 24 HD21 LEU 24 6.456 -2.773 7.687 173 HD22 LEU 24 HD22 LEU 24 6.622 -4.385 8.384 174 HD23 LEU 24 HD23 LEU 24 5.091 -3.890 7.664 175 H ARG 25 H ARG 25 6.633 -8.175 6.161 176 HA ARG 25 HA ARG 25 9.417 -7.746 6.764 177 HB2 ARG 25 HB3 ARG 25 9.316 -10.037 7.749 178 HB3 ARG 25 HB2 ARG 25 8.010 -8.995 8.312 179 HG2 ARG 25 HG3 ARG 25 6.531 -9.975 6.563 180 HG3 ARG 25 HG2 ARG 25 7.827 -11.091 6.133 181 HD2 ARG 25 HD3 ARG 25 6.430 -10.875 8.812 182 HD3 ARG 25 HD2 ARG 25 6.330 -12.222 7.677 183 HE ARG 25 HE ARG 25 9.049 -11.967 8.234 184 HH11 ARG 25 HH21 ARG 25 6.117 -12.417 9.996 185 HH12 ARG 25 HH22 ARG 25 6.870 -13.301 11.279 186 HH21 ARG 25 HH11 ARG 25 10.047 -13.111 9.911 187 HH22 ARG 25 HH12 ARG 25 9.089 -13.695 11.232 188 H ASN 26 H ASN 26 7.727 -9.396 4.228 189 HA ASN 26 HA ASN 26 9.948 -11.061 3.365 190 HB2 ASN 26 HB3 ASN 26 7.438 -10.106 1.963 191 HB3 ASN 26 HB2 ASN 26 8.563 -11.275 1.277 192 HD21 ASN 26 HD21 ASN 26 5.801 -11.894 1.904 193 HD22 ASN 26 HD22 ASN 26 5.808 -13.069 3.129 194 H GLY 27 H GLY 27 9.522 -7.767 3.356 195 HA2 GLY 27 HA3 GLY 27 10.913 -6.116 2.383 196 HA3 GLY 27 HA2 GLY 27 11.688 -7.380 1.425 197 H ASP 28 H ASP 28 8.225 -7.230 1.414 198 HA ASP 28 HA ASP 28 8.043 -7.002 -1.415 199 HB2 ASP 28 HB3 ASP 28 6.246 -7.859 0.132 200 HB3 ASP 28 HB2 ASP 28 5.921 -6.186 0.588 201 H CYS 29 H CYS 29 7.768 -4.530 1.136 202 HA CYS 29 HA CYS 29 7.126 -2.360 -0.632 203 HB2 CYS 29 HB3 CYS 29 8.649 -2.179 1.986 204 HB3 CYS 29 HB2 CYS 29 7.710 -0.903 1.215 205 H ASP 30 H ASP 30 10.024 -4.107 -0.038 206 HA ASP 30 HA ASP 30 11.726 -1.934 -1.136 207 HB2 ASP 30 HB3 ASP 30 12.349 -4.640 0.066 208 HB3 ASP 30 HB2 ASP 30 13.579 -3.597 -0.652 209 H ASN 31 H ASN 31 9.802 -4.285 -2.398 210 HA ASN 31 HA ASN 31 11.711 -5.038 -4.552 211 HB2 ASN 31 HB3 ASN 31 10.262 -6.753 -3.333 212 HB3 ASN 31 HB2 ASN 31 8.886 -6.025 -4.155 213 HD21 ASN 31 HD21 ASN 31 9.364 -8.657 -4.751 214 HD22 ASN 31 HD22 ASN 31 10.034 -8.817 -6.302 215 H ASP 32 H ASP 32 11.714 -3.681 -6.271 216 HA ASP 32 HA ASP 32 9.779 -1.685 -6.800 217 HB2 ASP 32 HB3 ASP 32 12.087 -1.787 -7.785 218 HB3 ASP 32 HB2 ASP 32 11.520 -3.077 -8.849 219 H ASP 33 H ASP 33 9.954 -5.049 -7.798 220 HA ASP 33 HA ASP 33 7.851 -4.920 -9.751 221 HB2 ASP 33 HB3 ASP 33 9.498 -6.780 -9.611 222 HB3 ASP 33 HB2 ASP 33 8.751 -7.298 -8.098 223 H LYS 34 H LYS 34 7.844 -5.109 -6.265 224 HA LYS 34 HA LYS 34 4.904 -5.639 -6.330 225 HB2 LYS 34 HB3 LYS 34 6.705 -5.779 -3.904 226 HB3 LYS 34 HB2 LYS 34 5.084 -6.451 -4.089 227 HG2 LYS 34 HG3 LYS 34 6.045 -7.881 -5.982 228 HG3 LYS 34 HG2 LYS 34 7.638 -7.384 -5.408 229 HD2 LYS 34 HD3 LYS 34 7.090 -8.268 -3.156 230 HD3 LYS 34 HD2 LYS 34 5.526 -8.809 -3.763 231 HE2 LYS 34 HE3 LYS 34 6.997 -10.022 -5.592 232 HE3 LYS 34 HE2 LYS 34 8.262 -9.871 -4.373 233 HZ1 LYS 34 HZ1 LYS 34 7.217 -11.913 -3.966 234 HZ2 LYS 34 HZ2 LYS 34 5.659 -11.258 -4.137 235 HZ3 LYS 34 HZ3 LYS 34 6.604 -10.866 -2.781 236 H LEU 35 H LEU 35 7.064 -3.136 -6.142 237 HA LEU 35 HA LEU 35 6.152 -1.554 -3.991 238 HB2 LEU 35 HB3 LEU 35 7.377 -0.970 -6.656 239 HB3 LEU 35 HB2 LEU 35 6.684 0.376 -5.753 240 HG LEU 35 HG LEU 35 8.756 -1.565 -4.682 241 HD11 LEU 35 HD11 LEU 35 10.375 -0.105 -5.329 242 HD12 LEU 35 HD12 LEU 35 9.393 1.303 -4.923 243 HD13 LEU 35 HD13 LEU 35 9.166 0.485 -6.469 244 HD21 LEU 35 HD21 LEU 35 7.846 -0.842 -2.715 245 HD22 LEU 35 HD22 LEU 35 7.039 0.525 -3.484 246 HD23 LEU 35 HD23 LEU 35 8.746 0.637 -3.052 247 H LEU 36 H LEU 36 4.906 -1.737 -7.333 248 HA LEU 36 HA LEU 36 2.757 0.117 -6.909 249 HB2 LEU 36 HB3 LEU 36 3.525 -0.618 -9.166 250 HB3 LEU 36 HB2 LEU 36 2.875 -2.225 -8.836 251 HG LEU 36 HG LEU 36 0.969 -0.033 -8.340 252 HD11 LEU 36 HD11 LEU 36 2.159 -0.533 -11.069 253 HD12 LEU 36 HD12 LEU 36 1.853 1.012 -10.273 254 HD13 LEU 36 HD13 LEU 36 0.506 0.051 -10.884 255 HD21 LEU 36 HD21 LEU 36 0.657 -2.613 -8.406 256 HD22 LEU 36 HD22 LEU 36 0.673 -2.421 -10.159 257 HD23 LEU 36 HD23 LEU 36 -0.562 -1.613 -9.195 258 H GLU 37 H GLU 37 3.034 -3.404 -6.548 259 HA GLU 37 HA GLU 37 0.311 -3.979 -5.994 260 HB2 GLU 37 HB3 GLU 37 2.784 -5.264 -4.780 261 HB3 GLU 37 HB2 GLU 37 1.166 -5.968 -4.810 262 HG2 GLU 37 HG3 GLU 37 1.217 -5.894 -7.301 263 HG3 GLU 37 HG2 GLU 37 2.874 -5.298 -7.221 264 H MET 38 H MET 38 2.948 -2.921 -3.864 265 HA MET 38 HA MET 38 1.414 -3.035 -1.434 266 HB2 MET 38 HB3 MET 38 3.865 -1.448 -2.210 267 HB3 MET 38 HB2 MET 38 3.209 -1.507 -0.576 268 HG2 MET 38 HG3 MET 38 4.024 -3.951 -2.167 269 HG3 MET 38 HG2 MET 38 5.063 -3.163 -0.986 270 HE1 MET 38 HE1 MET 38 2.856 -6.367 -1.046 271 HE2 MET 38 HE2 MET 38 2.147 -5.025 -1.941 272 HE3 MET 38 HE3 MET 38 1.338 -5.641 -0.504 273 H GLY 39 H GLY 39 2.210 -0.321 -3.625 274 HA2 GLY 39 HA3 GLY 39 0.845 1.700 -2.187 275 HA3 GLY 39 HA2 GLY 39 1.083 1.716 -3.936 276 H TYR 40 H TYR 40 -0.300 -0.891 -4.202 277 HA TYR 40 HA TYR 40 -3.055 0.184 -4.243 278 HB2 TYR 40 HB3 TYR 40 -2.266 -0.798 -6.310 279 HB3 TYR 40 HB2 TYR 40 -1.784 -2.275 -5.474 280 HD1 TYR 40 HD1 TYR 40 -3.483 -3.803 -4.537 281 HD2 TYR 40 HD2 TYR 40 -4.581 -0.366 -6.862 282 HE1 TYR 40 HE1 TYR 40 -5.758 -4.734 -4.825 283 HE2 TYR 40 HE2 TYR 40 -6.864 -1.297 -7.153 284 HH TYR 40 HH TYR 40 -7.650 -4.550 -6.239 285 H TYR 41 H TYR 41 -1.385 -2.799 -3.201 286 HA TYR 41 HA TYR 41 -3.737 -3.710 -1.745 287 HB2 TYR 41 HB3 TYR 41 -0.915 -4.747 -2.009 288 HB3 TYR 41 HB2 TYR 41 -2.090 -5.501 -0.936 289 HD1 TYR 41 HD1 TYR 41 -4.289 -6.321 -1.910 290 HD2 TYR 41 HD2 TYR 41 -0.954 -5.169 -4.359 291 HE1 TYR 41 HE1 TYR 41 -5.260 -7.569 -3.820 292 HE2 TYR 41 HE2 TYR 41 -1.926 -6.414 -6.267 293 HH TYR 41 HH TYR 41 -3.964 -8.695 -6.118 294 H CYS 42 H CYS 42 -0.489 -2.497 -0.766 295 HA CYS 42 HA CYS 42 -1.754 -1.766 1.824 296 HB2 CYS 42 HB3 CYS 42 0.996 -2.984 1.780 297 HB3 CYS 42 HB2 CYS 42 -0.118 -2.803 3.135 298 HA PRO 43 HA PRO 43 0.866 1.665 -0.003 299 HB2 PRO 43 HB3 PRO 43 -1.007 3.617 0.494 300 HB3 PRO 43 HB2 PRO 43 -0.934 2.688 -1.018 301 HG2 PRO 43 HG3 PRO 43 -2.694 2.301 1.357 302 HG3 PRO 43 HG2 PRO 43 -3.089 2.193 -0.369 303 HD2 PRO 43 HD3 PRO 43 -2.696 -0.015 1.141 304 HD3 PRO 43 HD2 PRO 43 -2.217 0.041 -0.570 305 H VAL 44 H VAL 44 -1.110 1.440 2.918 306 HA VAL 44 HA VAL 44 0.422 3.488 4.324 307 HB VAL 44 HB VAL 44 -1.518 1.403 5.370 308 HG11 VAL 44 HG11 VAL 44 -1.625 3.358 7.176 309 HG12 VAL 44 HG12 VAL 44 0.021 3.638 6.614 310 HG13 VAL 44 HG13 VAL 44 -0.422 2.071 7.291 311 HG21 VAL 44 HG21 VAL 44 -2.139 3.396 3.660 312 HG22 VAL 44 HG22 VAL 44 -2.196 4.296 5.175 313 HG23 VAL 44 HG23 VAL 44 -3.226 2.884 4.948 314 H THR 45 H THR 45 0.276 -0.059 4.299 315 HA THR 45 HA THR 45 2.097 -0.600 6.403 316 HB THR 45 HB THR 45 1.770 -2.167 3.833 317 HG1 THR 45 HG1 THR 45 0.171 -1.804 6.065 318 HG21 THR 45 HG21 THR 45 3.582 -2.572 5.830 319 HG22 THR 45 HG22 THR 45 2.910 -3.856 4.827 320 HG23 THR 45 HG23 THR 45 2.216 -3.526 6.413 321 H CYS 46 H CYS 46 2.727 0.072 2.969 322 HA CYS 46 HA CYS 46 5.604 -0.334 3.379 323 HB2 CYS 46 HB3 CYS 46 3.937 0.449 0.987 324 HB3 CYS 46 HB2 CYS 46 5.700 0.390 0.943 325 H GLY 47 H GLY 47 3.535 2.178 4.042 326 HA2 GLY 47 HA3 GLY 47 4.094 4.348 4.781 327 HA3 GLY 47 HA2 GLY 47 5.771 4.016 4.355 328 H PHE 48 H PHE 48 2.987 3.804 2.152 329 HA PHE 48 HA PHE 48 4.275 5.958 0.523 330 HB2 PHE 48 HB3 PHE 48 2.239 3.876 -0.324 331 HB3 PHE 48 HB2 PHE 48 3.044 5.032 -1.382 332 HD1 PHE 48 HD2 PHE 48 5.767 4.704 0.314 333 HD2 PHE 48 HD1 PHE 48 3.081 2.016 -1.694 334 HE1 PHE 48 HE2 PHE 48 7.622 3.108 -0.028 335 HE2 PHE 48 HE1 PHE 48 4.945 0.422 -2.038 336 HZ PHE 48 HZ PHE 48 7.212 0.966 -1.206 337 H CYS 49 H CYS 49 1.676 5.200 2.528 338 HA CYS 49 HA CYS 49 0.445 7.808 1.940 339 HB2 CYS 49 HB3 CYS 49 -0.613 5.875 0.505 340 HB3 CYS 49 HB2 CYS 49 -1.399 5.444 2.020 341 H GLU 50 H GLU 50 -1.516 8.051 3.572 342 HA GLU 50 HA GLU 50 -0.495 7.091 6.202 343 HB2 GLU 50 HB3 GLU 50 -1.862 9.537 5.242 344 HB3 GLU 50 HB2 GLU 50 -2.404 8.941 6.812 345 HG2 GLU 50 HG3 GLU 50 -0.336 9.265 7.807 346 HG3 GLU 50 HG2 GLU 50 0.541 9.077 6.289 347 HA PRO 51 HA PRO 51 -3.948 4.425 6.772 348 HB2 PRO 51 HB3 PRO 51 -4.433 4.741 9.466 349 HB3 PRO 51 HB2 PRO 51 -3.118 3.761 8.799 350 HG2 PRO 51 HG3 PRO 51 -3.044 6.491 9.959 351 HG3 PRO 51 HG2 PRO 51 -1.846 5.190 10.047 352 HD2 PRO 51 HD3 PRO 51 -1.593 7.354 8.378 353 HD3 PRO 51 HD2 PRO 51 -0.874 5.764 8.033 Start of MODEL 28 1 HA ASN 1 HA ASN 1 -20.653 10.500 -11.963 2 HB2 ASN 1 HB3 ASN 1 -21.583 12.839 -13.653 3 HB3 ASN 1 HB2 ASN 1 -19.962 12.677 -12.977 4 HD21 ASN 1 HD21 ASN 1 -20.100 12.813 -15.730 5 HD22 ASN 1 HD22 ASN 1 -19.817 11.289 -16.423 6 H ASP 2 H ASP 2 -22.436 10.551 -10.013 7 HA ASP 2 HA ASP 2 -23.200 13.127 -9.005 8 HB2 ASP 2 HB3 ASP 2 -22.764 10.490 -7.573 9 HB3 ASP 2 HB2 ASP 2 -23.524 11.905 -6.850 10 H ILE 3 H ILE 3 -22.115 14.547 -7.686 11 HA ILE 3 HA ILE 3 -19.222 14.319 -7.526 12 HB ILE 3 HB ILE 3 -21.120 16.313 -6.247 13 HG12 ILE 3 HG13 ILE 3 -19.466 16.500 -8.788 14 HG13 ILE 3 HG12 ILE 3 -21.207 16.225 -8.740 15 HG21 ILE 3 HG21 ILE 3 -18.120 16.148 -6.490 16 HG22 ILE 3 HG22 ILE 3 -19.094 16.527 -5.070 17 HG23 ILE 3 HG23 ILE 3 -18.924 17.711 -6.362 18 HD11 ILE 3 HD11 ILE 3 -19.722 18.667 -7.734 19 HD12 ILE 3 HD12 ILE 3 -21.433 18.373 -7.435 20 HD13 ILE 3 HD13 ILE 3 -20.851 18.594 -9.086 21 H ARG 4 H ARG 4 -21.691 13.007 -5.671 22 HA ARG 4 HA ARG 4 -20.773 13.365 -3.005 23 HB2 ARG 4 HB3 ARG 4 -22.154 10.975 -4.267 24 HB3 ARG 4 HB2 ARG 4 -21.966 11.226 -2.530 25 HG2 ARG 4 HG3 ARG 4 -23.200 13.363 -2.713 26 HG3 ARG 4 HG2 ARG 4 -23.416 13.080 -4.441 27 HD2 ARG 4 HD3 ARG 4 -25.433 12.353 -3.319 28 HD3 ARG 4 HD2 ARG 4 -24.571 10.914 -3.865 29 HE ARG 4 HE ARG 4 -24.031 11.786 -1.093 30 HH11 ARG 4 HH21 ARG 4 -25.714 9.745 -3.309 31 HH12 ARG 4 HH22 ARG 4 -26.056 8.524 -2.124 32 HH21 ARG 4 HH11 ARG 4 -24.464 10.205 0.454 33 HH22 ARG 4 HH12 ARG 4 -25.346 8.786 0.002 34 H THR 5 H THR 5 -19.666 11.222 -5.571 35 HA THR 5 HA THR 5 -18.133 9.400 -4.049 36 HB THR 5 HB THR 5 -18.468 9.161 -6.480 37 HG1 THR 5 HG1 THR 5 -16.509 8.323 -6.808 38 HG21 THR 5 HG21 THR 5 -17.892 10.756 -7.985 39 HG22 THR 5 HG22 THR 5 -16.347 11.070 -7.194 40 HG23 THR 5 HG23 THR 5 -17.817 11.829 -6.586 41 H ALA 6 H ALA 6 -17.405 12.715 -5.052 42 HA ALA 6 HA ALA 6 -15.413 13.977 -4.702 43 HB1 ALA 6 HB1 ALA 6 -16.950 13.976 -2.583 44 HB2 ALA 6 HB2 ALA 6 -15.308 14.607 -2.448 45 HB3 ALA 6 HB3 ALA 6 -15.678 12.979 -1.876 46 H ALA 7 H ALA 7 -14.532 11.660 -5.787 47 HA ALA 7 HA ALA 7 -12.835 10.033 -4.183 48 HB1 ALA 7 HB1 ALA 7 -13.572 9.684 -6.628 49 HB2 ALA 7 HB2 ALA 7 -11.913 9.245 -6.224 50 HB3 ALA 7 HB3 ALA 7 -12.247 10.766 -7.055 51 H ASP 8 H ASP 8 -10.697 10.275 -3.543 52 HA ASP 8 HA ASP 8 -9.017 12.413 -4.584 53 HB2 ASP 8 HB3 ASP 8 -10.540 13.620 -2.982 54 HB3 ASP 8 HB2 ASP 8 -9.904 12.601 -1.690 55 H MET 9 H MET 9 -9.464 9.448 -3.256 56 HA MET 9 HA MET 9 -8.055 7.887 -2.189 57 HB2 MET 9 HB3 MET 9 -6.335 9.417 -4.125 58 HB3 MET 9 HB2 MET 9 -5.596 8.199 -3.087 59 HG2 MET 9 HG3 MET 9 -7.940 7.000 -4.113 60 HG3 MET 9 HG2 MET 9 -7.188 7.826 -5.474 61 HE1 MET 9 HE1 MET 9 -4.763 5.956 -2.425 62 HE2 MET 9 HE2 MET 9 -5.907 4.645 -2.701 63 HE3 MET 9 HE3 MET 9 -6.502 6.259 -2.319 64 H GLU 10 H GLU 10 -8.369 10.655 -0.894 65 HA GLU 10 HA GLU 10 -5.852 11.265 0.371 66 HB2 GLU 10 HB3 GLU 10 -7.790 12.856 0.211 67 HB3 GLU 10 HB2 GLU 10 -8.640 11.867 1.398 68 HG2 GLU 10 HG3 GLU 10 -6.760 12.214 2.994 69 HG3 GLU 10 HG2 GLU 10 -5.991 13.282 1.820 70 H HIS 11 H HIS 11 -8.384 8.948 1.007 71 HA HIS 11 HA HIS 11 -7.156 8.328 3.650 72 HB2 HIS 11 HB3 HIS 11 -9.767 7.419 2.399 73 HB3 HIS 11 HB2 HIS 11 -9.192 6.932 3.993 74 HD1 HIS 11 HD1 HIS 11 -11.822 8.533 3.731 75 HD2 HIS 11 HD2 HIS 11 -8.096 10.295 4.381 76 HE1 HIS 11 HE1 HIS 11 -12.271 10.799 4.778 77 HE2 HIS 11 HE2 HIS 11 -10.011 11.887 5.159 78 H CYS 12 H CYS 12 -5.657 6.753 3.619 79 HA CYS 12 HA CYS 12 -5.913 4.595 1.560 80 HB2 CYS 12 HB3 CYS 12 -3.404 5.572 2.948 81 HB3 CYS 12 HB2 CYS 12 -3.484 4.374 1.656 82 H ALA 13 H ALA 13 -5.950 2.496 2.305 83 HA ALA 13 HA ALA 13 -5.311 2.034 5.178 84 HB1 ALA 13 HB1 ALA 13 -7.425 1.475 5.711 85 HB2 ALA 13 HB2 ALA 13 -7.562 0.425 4.303 86 HB3 ALA 13 HB3 ALA 13 -7.917 2.146 4.157 87 H ASP 14 H ASP 14 -4.699 -0.169 5.642 88 HA ASP 14 HA ASP 14 -3.361 -1.487 3.431 89 HB2 ASP 14 HB3 ASP 14 -3.863 -2.360 6.290 90 HB3 ASP 14 HB2 ASP 14 -2.868 -3.258 5.145 91 H GLU 15 H GLU 15 -4.132 -3.136 2.171 92 HA GLU 15 HA GLU 15 -6.907 -3.762 2.109 93 HB2 GLU 15 HB3 GLU 15 -4.465 -4.736 0.773 94 HB3 GLU 15 HB2 GLU 15 -5.747 -5.937 0.906 95 HG2 GLU 15 HG3 GLU 15 -5.802 -4.425 -1.172 96 HG3 GLU 15 HG2 GLU 15 -7.300 -4.582 -0.265 97 H LYS 16 H LYS 16 -8.086 -5.440 2.983 98 HA LYS 16 HA LYS 16 -6.840 -6.806 5.272 99 HB2 LYS 16 HB3 LYS 16 -9.091 -7.431 5.875 100 HB3 LYS 16 HB2 LYS 16 -9.111 -5.735 5.388 101 HG2 LYS 16 HG3 LYS 16 -9.831 -6.443 3.102 102 HG3 LYS 16 HG2 LYS 16 -9.930 -8.105 3.687 103 HD2 LYS 16 HD3 LYS 16 -11.499 -7.284 5.484 104 HD3 LYS 16 HD2 LYS 16 -11.525 -5.727 4.661 105 HE2 LYS 16 HE3 LYS 16 -12.561 -8.384 3.686 106 HE3 LYS 16 HE2 LYS 16 -13.406 -6.842 3.782 107 HZ1 LYS 16 HZ1 LYS 16 -11.120 -7.406 1.976 108 HZ2 LYS 16 HZ2 LYS 16 -12.035 -5.976 2.030 109 HZ3 LYS 16 HZ3 LYS 16 -12.748 -7.425 1.508 110 H ASN 17 H ASN 17 -7.806 -7.522 1.999 111 HA ASN 17 HA ASN 17 -7.783 -10.434 2.462 112 HB2 ASN 17 HB3 ASN 17 -7.946 -8.859 -0.128 113 HB3 ASN 17 HB2 ASN 17 -8.243 -10.591 0.057 114 HD21 ASN 17 HD21 ASN 17 -9.846 -7.663 -0.125 115 HD22 ASN 17 HD22 ASN 17 -11.268 -8.079 0.703 116 H PHE 18 H PHE 18 -5.471 -8.053 2.034 117 HA PHE 18 HA PHE 18 -3.542 -10.013 0.848 118 HB2 PHE 18 HB3 PHE 18 -3.942 -7.867 -0.442 119 HB3 PHE 18 HB2 PHE 18 -3.266 -6.995 0.936 120 HD1 PHE 18 HD1 PHE 18 -0.899 -7.199 1.526 121 HD2 PHE 18 HD2 PHE 18 -2.540 -9.281 -1.852 122 HE1 PHE 18 HE1 PHE 18 1.387 -7.645 0.689 123 HE2 PHE 18 HE2 PHE 18 -0.249 -9.728 -2.691 124 HZ PHE 18 HZ PHE 18 1.717 -8.910 -1.419 125 H ASP 19 H ASP 19 -1.793 -10.573 2.148 126 HA ASP 19 HA ASP 19 -1.822 -9.531 4.892 127 HB2 ASP 19 HB3 ASP 19 -1.333 -11.964 4.242 128 HB3 ASP 19 HB2 ASP 19 0.250 -11.386 3.718 129 H CYS 20 H CYS 20 -0.997 -7.520 5.088 130 HA CYS 20 HA CYS 20 1.207 -6.585 3.411 131 HB2 CYS 20 HB3 CYS 20 0.126 -5.219 5.883 132 HB3 CYS 20 HB2 CYS 20 0.892 -4.483 4.475 133 H ARG 21 H ARG 21 0.785 -7.570 6.804 134 HA ARG 21 HA ARG 21 3.382 -6.871 7.731 135 HB2 ARG 21 HB3 ARG 21 1.341 -7.717 9.071 136 HB3 ARG 21 HB2 ARG 21 1.885 -9.337 8.630 137 HG2 ARG 21 HG3 ARG 21 3.835 -7.395 9.847 138 HG3 ARG 21 HG2 ARG 21 2.707 -8.265 10.885 139 HD2 ARG 21 HD3 ARG 21 3.516 -10.406 9.767 140 HD3 ARG 21 HD2 ARG 21 4.797 -9.438 9.041 141 HE ARG 21 HE ARG 21 5.849 -9.318 11.154 142 HH11 ARG 21 HH21 ARG 21 2.599 -10.454 11.362 143 HH12 ARG 21 HH22 ARG 21 2.717 -10.876 13.039 144 HH21 ARG 21 HH11 ARG 21 6.019 -9.864 13.339 145 HH22 ARG 21 HH12 ARG 21 4.648 -10.537 14.156 146 H ARG 22 H ARG 22 2.173 -9.855 6.223 147 HA ARG 22 HA ARG 22 4.675 -11.257 6.368 148 HB2 ARG 22 HB3 ARG 22 2.901 -12.691 5.967 149 HB3 ARG 22 HB2 ARG 22 2.122 -11.571 4.852 150 HG2 ARG 22 HG3 ARG 22 3.584 -12.098 3.094 151 HG3 ARG 22 HG2 ARG 22 4.769 -12.822 4.178 152 HD2 ARG 22 HD3 ARG 22 3.629 -14.626 3.064 153 HD3 ARG 22 HD2 ARG 22 3.052 -14.588 4.729 154 HE ARG 22 HE ARG 22 1.208 -13.022 3.445 155 HH11 ARG 22 HH21 ARG 22 2.614 -16.106 2.816 156 HH12 ARG 22 HH22 ARG 22 1.211 -16.733 2.019 157 HH21 ARG 22 HH11 ARG 22 -0.632 -13.822 2.402 158 HH22 ARG 22 HH12 ARG 22 -0.626 -15.438 1.781 159 H SER 23 H SER 23 3.098 -9.413 3.768 160 HA SER 23 HA SER 23 5.239 -9.719 1.886 161 HB2 SER 23 HB3 SER 23 3.053 -7.648 2.180 162 HB3 SER 23 HB2 SER 23 4.177 -7.669 0.823 163 HG SER 23 HG SER 23 2.136 -9.455 1.517 164 H LEU 24 H LEU 24 4.556 -7.344 4.423 165 HA LEU 24 HA LEU 24 6.624 -5.490 3.739 166 HB2 LEU 24 HB3 LEU 24 4.816 -4.915 5.292 167 HB3 LEU 24 HB2 LEU 24 5.406 -6.113 6.442 168 HG LEU 24 HG LEU 24 7.631 -4.858 6.409 169 HD11 LEU 24 HD11 LEU 24 5.882 -2.988 4.825 170 HD12 LEU 24 HD12 LEU 24 7.533 -3.511 4.488 171 HD13 LEU 24 HD13 LEU 24 7.219 -2.367 5.791 172 HD21 LEU 24 HD21 LEU 24 5.094 -4.159 7.682 173 HD22 LEU 24 HD22 LEU 24 6.200 -2.788 7.593 174 HD23 LEU 24 HD23 LEU 24 6.707 -4.279 8.386 175 H ARG 25 H ARG 25 6.622 -8.199 6.099 176 HA ARG 25 HA ARG 25 9.378 -7.800 6.833 177 HB2 ARG 25 HB3 ARG 25 9.230 -9.996 7.898 178 HB3 ARG 25 HB2 ARG 25 7.764 -9.079 8.237 179 HG2 ARG 25 HG3 ARG 25 6.665 -10.239 6.312 180 HG3 ARG 25 HG2 ARG 25 8.102 -11.246 6.149 181 HD2 ARG 25 HD3 ARG 25 7.799 -11.965 8.532 182 HD3 ARG 25 HD2 ARG 25 6.278 -11.069 8.564 183 HE ARG 25 HE ARG 25 6.559 -13.086 6.427 184 HH11 ARG 25 HH21 ARG 25 5.359 -12.151 9.526 185 HH12 ARG 25 HH22 ARG 25 4.136 -13.379 9.565 186 HH21 ARG 25 HH11 ARG 25 4.969 -14.677 6.459 187 HH22 ARG 25 HH12 ARG 25 3.915 -14.806 7.825 188 H ASN 26 H ASN 26 7.808 -9.303 4.152 189 HA ASN 26 HA ASN 26 10.114 -10.935 3.368 190 HB2 ASN 26 HB3 ASN 26 7.564 -10.150 1.925 191 HB3 ASN 26 HB2 ASN 26 8.780 -11.235 1.254 192 HD21 ASN 26 HD21 ASN 26 5.970 -11.912 1.995 193 HD22 ASN 26 HD22 ASN 26 6.083 -13.144 3.154 194 H GLY 27 H GLY 27 9.552 -7.676 3.373 195 HA2 GLY 27 HA3 GLY 27 10.881 -5.966 2.410 196 HA3 GLY 27 HA2 GLY 27 11.700 -7.196 1.443 197 H ASP 28 H ASP 28 8.231 -7.157 1.426 198 HA ASP 28 HA ASP 28 8.082 -6.916 -1.400 199 HB2 ASP 28 HB3 ASP 28 6.268 -7.856 -0.006 200 HB3 ASP 28 HB2 ASP 28 5.951 -6.247 0.651 201 H CYS 29 H CYS 29 7.787 -4.459 1.158 202 HA CYS 29 HA CYS 29 7.108 -2.283 -0.592 203 HB2 CYS 29 HB3 CYS 29 8.725 -2.074 1.963 204 HB3 CYS 29 HB2 CYS 29 7.709 -0.833 1.239 205 H ASP 30 H ASP 30 10.025 -4.027 -0.020 206 HA ASP 30 HA ASP 30 11.706 -1.879 -1.195 207 HB2 ASP 30 HB3 ASP 30 12.376 -4.569 0.032 208 HB3 ASP 30 HB2 ASP 30 13.579 -3.484 -0.678 209 H ASN 31 H ASN 31 9.795 -4.338 -2.334 210 HA ASN 31 HA ASN 31 11.668 -5.101 -4.507 211 HB2 ASN 31 HB3 ASN 31 10.254 -6.797 -3.228 212 HB3 ASN 31 HB2 ASN 31 8.856 -6.109 -4.053 213 HD21 ASN 31 HD21 ASN 31 9.178 -8.676 -4.698 214 HD22 ASN 31 HD22 ASN 31 9.923 -8.885 -6.209 215 H ASP 32 H ASP 32 11.655 -3.751 -6.228 216 HA ASP 32 HA ASP 32 9.696 -1.783 -6.787 217 HB2 ASP 32 HB3 ASP 32 11.600 -3.189 -8.688 218 HB3 ASP 32 HB2 ASP 32 10.716 -1.709 -9.063 219 H ASP 33 H ASP 33 9.927 -5.151 -7.737 220 HA ASP 33 HA ASP 33 7.838 -5.115 -9.708 221 HB2 ASP 33 HB3 ASP 33 9.510 -6.937 -9.491 222 HB3 ASP 33 HB2 ASP 33 8.781 -7.406 -7.958 223 H LYS 34 H LYS 34 7.807 -5.160 -6.214 224 HA LYS 34 HA LYS 34 4.869 -5.733 -6.267 225 HB2 LYS 34 HB3 LYS 34 6.685 -5.840 -3.856 226 HB3 LYS 34 HB2 LYS 34 5.051 -6.493 -4.007 227 HG2 LYS 34 HG3 LYS 34 6.008 -7.948 -5.910 228 HG3 LYS 34 HG2 LYS 34 7.591 -7.493 -5.286 229 HD2 LYS 34 HD3 LYS 34 6.891 -8.325 -3.032 230 HD3 LYS 34 HD2 LYS 34 5.393 -8.907 -3.759 231 HE2 LYS 34 HE3 LYS 34 7.282 -9.942 -5.465 232 HE3 LYS 34 HE2 LYS 34 8.109 -10.035 -3.909 233 HZ1 LYS 34 HZ1 LYS 34 5.972 -11.046 -3.055 234 HZ2 LYS 34 HZ2 LYS 34 6.908 -12.013 -4.090 235 HZ3 LYS 34 HZ3 LYS 34 5.519 -11.231 -4.677 236 H LEU 35 H LEU 35 6.983 -3.189 -6.126 237 HA LEU 35 HA LEU 35 6.082 -1.617 -3.960 238 HB2 LEU 35 HB3 LEU 35 7.198 -1.006 -6.673 239 HB3 LEU 35 HB2 LEU 35 6.526 0.319 -5.723 240 HG LEU 35 HG LEU 35 8.674 -1.598 -4.767 241 HD11 LEU 35 HD11 LEU 35 10.250 -0.071 -5.408 242 HD12 LEU 35 HD12 LEU 35 9.192 1.305 -5.084 243 HD13 LEU 35 HD13 LEU 35 9.019 0.389 -6.583 244 HD21 LEU 35 HD21 LEU 35 7.001 0.474 -3.477 245 HD22 LEU 35 HD22 LEU 35 8.727 0.590 -3.131 246 HD23 LEU 35 HD23 LEU 35 7.851 -0.891 -2.755 247 H LEU 36 H LEU 36 4.778 -1.899 -7.259 248 HA LEU 36 HA LEU 36 2.600 -0.075 -6.839 249 HB2 LEU 36 HB3 LEU 36 3.387 -0.842 -9.091 250 HB3 LEU 36 HB2 LEU 36 2.712 -2.435 -8.747 251 HG LEU 36 HG LEU 36 0.854 -0.181 -8.291 252 HD11 LEU 36 HD11 LEU 36 2.003 -0.818 -11.013 253 HD12 LEU 36 HD12 LEU 36 1.776 0.765 -10.265 254 HD13 LEU 36 HD13 LEU 36 0.378 -0.156 -10.828 255 HD21 LEU 36 HD21 LEU 36 -0.675 -1.752 -9.450 256 HD22 LEU 36 HD22 LEU 36 0.191 -2.552 -8.137 257 HD23 LEU 36 HD23 LEU 36 0.693 -2.808 -9.807 258 H GLU 37 H GLU 37 2.986 -3.564 -6.331 259 HA GLU 37 HA GLU 37 0.254 -4.160 -5.768 260 HB2 GLU 37 HB3 GLU 37 2.771 -5.413 -4.624 261 HB3 GLU 37 HB2 GLU 37 1.158 -6.116 -4.538 262 HG2 GLU 37 HG3 GLU 37 1.057 -6.114 -7.028 263 HG3 GLU 37 HG2 GLU 37 2.715 -5.508 -7.068 264 H MET 38 H MET 38 2.910 -3.026 -3.700 265 HA MET 38 HA MET 38 1.375 -3.078 -1.251 266 HB2 MET 38 HB3 MET 38 3.855 -1.555 -2.067 267 HB3 MET 38 HB2 MET 38 3.201 -1.566 -0.432 268 HG2 MET 38 HG3 MET 38 3.958 -4.059 -1.972 269 HG3 MET 38 HG2 MET 38 5.020 -3.271 -0.807 270 HE1 MET 38 HE1 MET 38 2.720 -6.423 -0.781 271 HE2 MET 38 HE2 MET 38 2.092 -5.089 -1.738 272 HE3 MET 38 HE3 MET 38 1.223 -5.617 -0.301 273 H GLY 39 H GLY 39 2.205 -0.505 -3.565 274 HA2 GLY 39 HA3 GLY 39 0.903 1.632 -2.233 275 HA3 GLY 39 HA2 GLY 39 1.142 1.544 -3.983 276 H TYR 40 H TYR 40 -0.337 -1.022 -4.137 277 HA TYR 40 HA TYR 40 -3.057 0.146 -4.179 278 HB2 TYR 40 HB3 TYR 40 -2.364 -0.908 -6.235 279 HB3 TYR 40 HB2 TYR 40 -1.876 -2.368 -5.383 280 HD1 TYR 40 HD1 TYR 40 -3.601 -3.792 -4.260 281 HD2 TYR 40 HD2 TYR 40 -4.660 -0.526 -6.840 282 HE1 TYR 40 HE1 TYR 40 -5.888 -4.714 -4.483 283 HE2 TYR 40 HE2 TYR 40 -6.954 -1.446 -7.064 284 HH TYR 40 HH TYR 40 -7.971 -4.299 -5.210 285 H TYR 41 H TYR 41 -1.490 -2.888 -3.084 286 HA TYR 41 HA TYR 41 -3.858 -3.662 -1.583 287 HB2 TYR 41 HB3 TYR 41 -1.077 -4.815 -1.793 288 HB3 TYR 41 HB2 TYR 41 -2.311 -5.501 -0.738 289 HD1 TYR 41 HD1 TYR 41 -4.570 -6.147 -1.791 290 HD2 TYR 41 HD2 TYR 41 -1.038 -5.343 -4.094 291 HE1 TYR 41 HE1 TYR 41 -5.556 -7.349 -3.721 292 HE2 TYR 41 HE2 TYR 41 -2.025 -6.540 -6.023 293 HH TYR 41 HH TYR 41 -3.799 -8.397 -6.320 294 H CYS 42 H CYS 42 -0.549 -2.633 -0.625 295 HA CYS 42 HA CYS 42 -1.775 -1.809 1.964 296 HB2 CYS 42 HB3 CYS 42 0.906 -3.179 1.753 297 HB3 CYS 42 HB2 CYS 42 0.011 -2.782 3.220 298 HA PRO 43 HA PRO 43 0.856 1.560 0.042 299 HB2 PRO 43 HB3 PRO 43 -1.011 3.529 0.484 300 HB3 PRO 43 HB2 PRO 43 -0.941 2.559 -1.000 301 HG2 PRO 43 HG3 PRO 43 -2.696 2.237 1.390 302 HG3 PRO 43 HG2 PRO 43 -3.102 2.099 -0.329 303 HD2 PRO 43 HD3 PRO 43 -2.710 -0.084 1.212 304 HD3 PRO 43 HD2 PRO 43 -2.226 -0.057 -0.499 305 H VAL 44 H VAL 44 -1.130 1.429 2.968 306 HA VAL 44 HA VAL 44 0.370 3.517 4.340 307 HB VAL 44 HB VAL 44 -1.542 1.412 5.403 308 HG11 VAL 44 HG11 VAL 44 -0.284 3.866 6.643 309 HG12 VAL 44 HG12 VAL 44 -0.248 2.211 7.243 310 HG13 VAL 44 HG13 VAL 44 -1.752 3.128 7.285 311 HG21 VAL 44 HG21 VAL 44 -3.264 2.936 5.054 312 HG22 VAL 44 HG22 VAL 44 -2.247 3.265 3.654 313 HG23 VAL 44 HG23 VAL 44 -2.180 4.323 5.062 314 H THR 45 H THR 45 0.314 -0.045 4.445 315 HA THR 45 HA THR 45 2.182 -0.372 6.563 316 HB THR 45 HB THR 45 1.752 -2.177 4.177 317 HG1 THR 45 HG1 THR 45 -0.143 -2.329 5.056 318 HG21 THR 45 HG21 THR 45 3.116 -2.482 6.833 319 HG22 THR 45 HG22 THR 45 3.663 -2.989 5.237 320 HG23 THR 45 HG23 THR 45 2.382 -3.885 6.053 321 H CYS 46 H CYS 46 2.715 0.074 3.072 322 HA CYS 46 HA CYS 46 5.603 -0.331 3.434 323 HB2 CYS 46 HB3 CYS 46 3.869 0.319 1.055 324 HB3 CYS 46 HB2 CYS 46 5.632 0.330 0.957 325 H GLY 47 H GLY 47 3.618 2.213 4.117 326 HA2 GLY 47 HA3 GLY 47 4.228 4.401 4.747 327 HA3 GLY 47 HA2 GLY 47 5.880 4.035 4.254 328 H PHE 48 H PHE 48 3.032 3.731 2.167 329 HA PHE 48 HA PHE 48 4.234 5.851 0.438 330 HB2 PHE 48 HB3 PHE 48 2.213 3.705 -0.285 331 HB3 PHE 48 HB2 PHE 48 2.969 4.841 -1.399 332 HD1 PHE 48 HD1 PHE 48 5.727 4.578 0.302 333 HD2 PHE 48 HD2 PHE 48 3.078 1.844 -1.696 334 HE1 PHE 48 HE1 PHE 48 7.607 3.011 -0.052 335 HE2 PHE 48 HE2 PHE 48 4.965 0.280 -2.045 336 HZ PHE 48 HZ PHE 48 7.227 0.860 -1.224 337 H CYS 49 H CYS 49 1.698 5.129 2.550 338 HA CYS 49 HA CYS 49 0.434 7.708 1.951 339 HB2 CYS 49 HB3 CYS 49 -0.631 5.709 0.566 340 HB3 CYS 49 HB2 CYS 49 -1.447 5.393 2.098 341 H GLU 50 H GLU 50 -1.467 8.009 3.592 342 HA GLU 50 HA GLU 50 -0.500 6.961 6.212 343 HB2 GLU 50 HB3 GLU 50 -1.907 9.480 5.359 344 HB3 GLU 50 HB2 GLU 50 -2.046 8.926 7.025 345 HG2 GLU 50 HG3 GLU 50 0.093 9.504 7.514 346 HG3 GLU 50 HG2 GLU 50 0.707 8.861 5.993 347 HA PRO 51 HA PRO 51 -4.218 4.650 6.750 348 HB2 PRO 51 HB3 PRO 51 -4.602 4.875 9.456 349 HB3 PRO 51 HB2 PRO 51 -3.348 3.851 8.727 350 HG2 PRO 51 HG3 PRO 51 -3.113 6.548 9.955 351 HG3 PRO 51 HG2 PRO 51 -2.006 5.169 10.037 352 HD2 PRO 51 HD3 PRO 51 -1.590 7.323 8.395 353 HD3 PRO 51 HD2 PRO 51 -0.995 5.689 8.023 Start of MODEL 29 1 HA ASN 1 HA ASN 1 -3.986 25.961 0.752 2 HB2 ASN 1 HB3 ASN 1 -5.362 25.048 2.615 3 HB3 ASN 1 HB2 ASN 1 -6.593 24.569 1.446 4 HD21 ASN 1 HD21 ASN 1 -3.113 24.058 2.218 5 HD22 ASN 1 HD22 ASN 1 -3.043 22.497 1.558 6 H ASP 2 H ASP 2 -4.068 23.930 -0.762 7 HA ASP 2 HA ASP 2 -4.924 24.836 -3.361 8 HB2 ASP 2 HB3 ASP 2 -4.008 22.098 -2.427 9 HB3 ASP 2 HB2 ASP 2 -4.226 22.564 -4.114 10 H ILE 3 H ILE 3 -6.717 24.217 -4.570 11 HA ILE 3 HA ILE 3 -9.021 23.235 -3.081 12 HB ILE 3 HB ILE 3 -8.770 23.619 -6.075 13 HG12 ILE 3 HG13 ILE 3 -8.055 25.691 -5.137 14 HG13 ILE 3 HG12 ILE 3 -9.764 25.915 -5.512 15 HG21 ILE 3 HG21 ILE 3 -11.283 24.385 -4.950 16 HG22 ILE 3 HG22 ILE 3 -10.873 22.785 -4.330 17 HG23 ILE 3 HG23 ILE 3 -10.949 23.066 -6.071 18 HD11 ILE 3 HD11 ILE 3 -10.208 25.153 -3.089 19 HD12 ILE 3 HD12 ILE 3 -9.530 26.766 -3.314 20 HD13 ILE 3 HD13 ILE 3 -8.489 25.432 -2.819 21 H ARG 4 H ARG 4 -6.425 21.664 -4.394 22 HA ARG 4 HA ARG 4 -7.819 19.432 -5.645 23 HB2 ARG 4 HB3 ARG 4 -4.955 19.707 -4.688 24 HB3 ARG 4 HB2 ARG 4 -5.574 18.380 -5.673 25 HG2 ARG 4 HG3 ARG 4 -6.250 20.020 -7.416 26 HG3 ARG 4 HG2 ARG 4 -5.537 21.312 -6.446 27 HD2 ARG 4 HD3 ARG 4 -3.352 20.040 -6.530 28 HD3 ARG 4 HD2 ARG 4 -4.105 18.961 -7.704 29 HE ARG 4 HE ARG 4 -3.820 20.650 -9.321 30 HH11 ARG 4 HH21 ARG 4 -3.761 21.920 -6.112 31 HH12 ARG 4 HH22 ARG 4 -3.360 23.528 -6.615 32 HH21 ARG 4 HH11 ARG 4 -3.299 22.747 -9.990 33 HH22 ARG 4 HH12 ARG 4 -3.098 23.995 -8.808 34 H THR 5 H THR 5 -7.767 20.386 -2.528 35 HA THR 5 HA THR 5 -7.246 17.801 -1.258 36 HB THR 5 HB THR 5 -6.961 20.212 -0.253 37 HG1 THR 5 HG1 THR 5 -8.226 18.818 1.667 38 HG21 THR 5 HG21 THR 5 -9.770 19.702 0.684 39 HG22 THR 5 HG22 THR 5 -9.488 20.591 -0.812 40 HG23 THR 5 HG23 THR 5 -8.844 21.203 0.714 41 H ALA 6 H ALA 6 -9.725 18.977 -3.093 42 HA ALA 6 HA ALA 6 -12.045 18.174 -1.593 43 HB1 ALA 6 HB1 ALA 6 -12.922 19.294 -3.348 44 HB2 ALA 6 HB2 ALA 6 -12.658 17.833 -4.305 45 HB3 ALA 6 HB3 ALA 6 -11.440 19.107 -4.286 46 H ALA 7 H ALA 7 -9.663 16.445 -3.440 47 HA ALA 7 HA ALA 7 -11.145 14.089 -4.059 48 HB1 ALA 7 HB1 ALA 7 -8.259 14.782 -3.741 49 HB2 ALA 7 HB2 ALA 7 -9.091 14.035 -5.107 50 HB3 ALA 7 HB3 ALA 7 -8.686 13.072 -3.686 51 H ASP 8 H ASP 8 -11.414 12.147 -2.877 52 HA ASP 8 HA ASP 8 -10.953 12.427 0.064 53 HB2 ASP 8 HB3 ASP 8 -12.932 10.699 -1.460 54 HB3 ASP 8 HB2 ASP 8 -12.735 10.697 0.292 55 H MET 9 H MET 9 -9.383 11.267 -2.437 56 HA MET 9 HA MET 9 -8.938 8.512 -1.504 57 HB2 MET 9 HB3 MET 9 -7.773 10.099 -3.804 58 HB3 MET 9 HB2 MET 9 -7.369 8.417 -3.471 59 HG2 MET 9 HG3 MET 9 -10.072 9.553 -4.224 60 HG3 MET 9 HG2 MET 9 -9.106 8.389 -5.128 61 HE1 MET 9 HE1 MET 9 -8.142 6.324 -3.940 62 HE2 MET 9 HE2 MET 9 -9.001 5.343 -2.758 63 HE3 MET 9 HE3 MET 9 -8.101 6.758 -2.226 64 H GLU 10 H GLU 10 -7.997 11.221 -0.206 65 HA GLU 10 HA GLU 10 -5.118 11.027 -0.179 66 HB2 GLU 10 HB3 GLU 10 -6.389 13.098 0.387 67 HB3 GLU 10 HB2 GLU 10 -6.968 12.306 1.854 68 HG2 GLU 10 HG3 GLU 10 -5.068 13.606 2.500 69 HG3 GLU 10 HG2 GLU 10 -4.528 11.928 2.467 70 H HIS 11 H HIS 11 -7.680 9.446 1.578 71 HA HIS 11 HA HIS 11 -5.724 8.393 3.551 72 HB2 HIS 11 HB3 HIS 11 -8.732 8.015 3.437 73 HB3 HIS 11 HB2 HIS 11 -7.663 7.578 4.775 74 HD1 HIS 11 HD1 HIS 11 -9.925 9.564 5.314 75 HD2 HIS 11 HD2 HIS 11 -6.099 10.740 4.141 76 HE1 HIS 11 HE1 HIS 11 -9.651 11.966 6.070 77 HE2 HIS 11 HE2 HIS 11 -7.325 12.693 5.362 78 H CYS 12 H CYS 12 -4.850 6.449 3.174 79 HA CYS 12 HA CYS 12 -6.307 4.563 1.365 80 HB2 CYS 12 HB3 CYS 12 -3.346 4.451 1.949 81 HB3 CYS 12 HB2 CYS 12 -4.224 3.726 0.605 82 H ALA 13 H ALA 13 -6.109 2.260 2.031 83 HA ALA 13 HA ALA 13 -5.353 1.931 4.898 84 HB1 ALA 13 HB1 ALA 13 -7.396 0.794 5.411 85 HB2 ALA 13 HB2 ALA 13 -7.877 0.751 3.716 86 HB3 ALA 13 HB3 ALA 13 -7.856 2.284 4.588 87 H ASP 14 H ASP 14 -4.723 -0.231 5.450 88 HA ASP 14 HA ASP 14 -3.440 -1.651 3.296 89 HB2 ASP 14 HB3 ASP 14 -2.849 -3.316 5.017 90 HB3 ASP 14 HB2 ASP 14 -2.544 -1.677 5.594 91 H GLU 15 H GLU 15 -4.093 -3.474 2.193 92 HA GLU 15 HA GLU 15 -6.903 -4.059 2.049 93 HB2 GLU 15 HB3 GLU 15 -4.429 -5.029 0.775 94 HB3 GLU 15 HB2 GLU 15 -5.686 -6.252 0.924 95 HG2 GLU 15 HG3 GLU 15 -5.762 -4.847 -1.204 96 HG3 GLU 15 HG2 GLU 15 -7.262 -4.926 -0.284 97 H LYS 16 H LYS 16 -8.086 -5.705 2.997 98 HA LYS 16 HA LYS 16 -6.866 -7.011 5.332 99 HB2 LYS 16 HB3 LYS 16 -9.118 -7.710 5.869 100 HB3 LYS 16 HB2 LYS 16 -9.178 -6.021 5.367 101 HG2 LYS 16 HG3 LYS 16 -9.778 -6.776 3.059 102 HG3 LYS 16 HG2 LYS 16 -9.847 -8.435 3.657 103 HD2 LYS 16 HD3 LYS 16 -11.532 -7.661 5.365 104 HD3 LYS 16 HD2 LYS 16 -11.566 -6.104 4.538 105 HE2 LYS 16 HE3 LYS 16 -11.998 -8.640 2.980 106 HE3 LYS 16 HE2 LYS 16 -13.332 -7.923 3.886 107 HZ1 LYS 16 HZ1 LYS 16 -12.754 -5.788 2.727 108 HZ2 LYS 16 HZ2 LYS 16 -13.418 -7.001 1.738 109 HZ3 LYS 16 HZ3 LYS 16 -11.746 -6.693 1.706 110 H ASN 17 H ASN 17 -7.746 -7.828 2.056 111 HA ASN 17 HA ASN 17 -7.599 -10.724 2.601 112 HB2 ASN 17 HB3 ASN 17 -7.870 -9.270 -0.049 113 HB3 ASN 17 HB2 ASN 17 -8.122 -10.993 0.230 114 HD21 ASN 17 HD21 ASN 17 -9.775 -8.080 -0.037 115 HD22 ASN 17 HD22 ASN 17 -11.194 -8.505 0.796 116 H PHE 18 H PHE 18 -5.365 -8.303 2.189 117 HA PHE 18 HA PHE 18 -3.440 -10.153 0.834 118 HB2 PHE 18 HB3 PHE 18 -3.895 -7.897 -0.255 119 HB3 PHE 18 HB2 PHE 18 -3.138 -7.157 1.155 120 HD1 PHE 18 HD2 PHE 18 -2.594 -9.261 -1.822 121 HD2 PHE 18 HD1 PHE 18 -0.745 -7.404 1.583 122 HE1 PHE 18 HE2 PHE 18 -0.356 -9.694 -2.799 123 HE2 PHE 18 HE1 PHE 18 1.488 -7.832 0.601 124 HZ PHE 18 HZ PHE 18 1.687 -8.979 -1.587 125 H ASP 19 H ASP 19 -1.714 -10.847 2.045 126 HA ASP 19 HA ASP 19 -1.611 -10.078 4.864 127 HB2 ASP 19 HB3 ASP 19 0.274 -11.832 3.255 128 HB3 ASP 19 HB2 ASP 19 0.199 -11.722 5.014 129 H CYS 20 H CYS 20 -1.102 -7.805 4.614 130 HA CYS 20 HA CYS 20 1.261 -6.896 3.224 131 HB2 CYS 20 HB3 CYS 20 -0.130 -5.493 5.515 132 HB3 CYS 20 HB2 CYS 20 0.778 -4.764 4.189 133 H ARG 21 H ARG 21 0.560 -7.861 6.544 134 HA ARG 21 HA ARG 21 2.969 -6.979 7.774 135 HB2 ARG 21 HB3 ARG 21 0.806 -8.021 8.795 136 HB3 ARG 21 HB2 ARG 21 1.599 -9.566 8.492 137 HG2 ARG 21 HG3 ARG 21 2.686 -7.286 10.167 138 HG3 ARG 21 HG2 ARG 21 2.091 -8.835 10.766 139 HD2 ARG 21 HD3 ARG 21 3.892 -9.888 9.227 140 HD3 ARG 21 HD2 ARG 21 4.595 -8.268 9.195 141 HE ARG 21 HE ARG 21 5.235 -8.547 11.453 142 HH11 ARG 21 HH21 ARG 21 3.022 -10.954 10.368 143 HH12 ARG 21 HH22 ARG 21 3.134 -11.901 11.815 144 HH21 ARG 21 HH11 ARG 21 5.394 -9.764 13.345 145 HH22 ARG 21 HH12 ARG 21 4.479 -11.226 13.502 146 H ARG 22 H ARG 22 2.144 -10.093 6.243 147 HA ARG 22 HA ARG 22 4.777 -11.213 6.597 148 HB2 ARG 22 HB3 ARG 22 3.252 -12.895 6.205 149 HB3 ARG 22 HB2 ARG 22 2.321 -11.923 5.065 150 HG2 ARG 22 HG3 ARG 22 3.887 -12.267 3.318 151 HG3 ARG 22 HG2 ARG 22 5.111 -12.873 4.435 152 HD2 ARG 22 HD3 ARG 22 3.722 -14.850 4.901 153 HD3 ARG 22 HD2 ARG 22 2.483 -14.240 3.804 154 HE ARG 22 HE ARG 22 3.847 -14.883 1.967 155 HH11 ARG 22 HH21 ARG 22 5.490 -15.003 4.991 156 HH12 ARG 22 HH22 ARG 22 6.854 -15.871 4.370 157 HH21 ARG 22 HH11 ARG 22 5.621 -16.009 1.131 158 HH22 ARG 22 HH12 ARG 22 6.927 -16.440 2.181 159 H SER 23 H SER 23 3.131 -9.599 3.905 160 HA SER 23 HA SER 23 5.296 -9.831 2.048 161 HB2 SER 23 HB3 SER 23 3.087 -7.761 2.235 162 HB3 SER 23 HB2 SER 23 4.135 -7.992 0.840 163 HG SER 23 HG SER 23 2.261 -9.795 1.967 164 H LEU 24 H LEU 24 4.475 -7.422 4.514 165 HA LEU 24 HA LEU 24 6.439 -5.474 3.785 166 HB2 LEU 24 HB3 LEU 24 4.617 -4.962 5.344 167 HB3 LEU 24 HB2 LEU 24 5.269 -6.116 6.507 168 HG LEU 24 HG LEU 24 7.430 -4.762 6.450 169 HD11 LEU 24 HD11 LEU 24 5.625 -3.061 4.767 170 HD12 LEU 24 HD12 LEU 24 7.334 -3.424 4.552 171 HD13 LEU 24 HD13 LEU 24 6.828 -2.284 5.796 172 HD21 LEU 24 HD21 LEU 24 6.209 -2.791 7.743 173 HD22 LEU 24 HD22 LEU 24 6.252 -4.421 8.413 174 HD23 LEU 24 HD23 LEU 24 4.810 -3.850 7.571 175 H ARG 25 H ARG 25 6.585 -8.112 6.204 176 HA ARG 25 HA ARG 25 9.326 -7.571 6.905 177 HB2 ARG 25 HB3 ARG 25 9.263 -9.727 8.047 178 HB3 ARG 25 HB2 ARG 25 7.756 -8.860 8.352 179 HG2 ARG 25 HG3 ARG 25 6.738 -10.116 6.424 180 HG3 ARG 25 HG2 ARG 25 8.202 -11.097 6.362 181 HD2 ARG 25 HD3 ARG 25 7.827 -11.684 8.776 182 HD3 ARG 25 HD2 ARG 25 6.282 -10.840 8.690 183 HE ARG 25 HE ARG 25 6.706 -12.966 6.689 184 HH11 ARG 25 HH21 ARG 25 5.397 -11.897 9.692 185 HH12 ARG 25 HH22 ARG 25 4.212 -13.155 9.778 186 HH21 ARG 25 HH11 ARG 25 5.167 -14.618 6.782 187 HH22 ARG 25 HH12 ARG 25 4.082 -14.698 8.127 188 H ASN 26 H ASN 26 7.840 -9.108 4.232 189 HA ASN 26 HA ASN 26 10.166 -10.753 3.524 190 HB2 ASN 26 HB3 ASN 26 7.635 -10.018 2.024 191 HB3 ASN 26 HB2 ASN 26 8.870 -11.111 1.401 192 HD21 ASN 26 HD21 ASN 26 6.139 -11.924 1.944 193 HD22 ASN 26 HD22 ASN 26 6.191 -13.075 3.192 194 H GLY 27 H GLY 27 9.528 -7.500 3.435 195 HA2 GLY 27 HA3 GLY 27 10.850 -5.790 2.454 196 HA3 GLY 27 HA2 GLY 27 11.694 -7.027 1.517 197 H ASP 28 H ASP 28 8.229 -7.055 1.512 198 HA ASP 28 HA ASP 28 8.037 -6.894 -1.321 199 HB2 ASP 28 HB3 ASP 28 6.279 -7.807 0.239 200 HB3 ASP 28 HB2 ASP 28 5.876 -6.145 0.672 201 H CYS 29 H CYS 29 7.760 -4.399 1.192 202 HA CYS 29 HA CYS 29 7.005 -2.269 -0.595 203 HB2 CYS 29 HB3 CYS 29 8.588 -1.983 1.973 204 HB3 CYS 29 HB2 CYS 29 7.533 -0.785 1.225 205 H ASP 30 H ASP 30 9.972 -3.909 0.045 206 HA ASP 30 HA ASP 30 11.593 -1.726 -1.138 207 HB2 ASP 30 HB3 ASP 30 12.325 -4.371 0.138 208 HB3 ASP 30 HB2 ASP 30 13.508 -3.277 -0.587 209 H ASN 31 H ASN 31 9.782 -4.255 -2.294 210 HA ASN 31 HA ASN 31 11.720 -4.964 -4.427 211 HB2 ASN 31 HB3 ASN 31 10.388 -6.746 -3.239 212 HB3 ASN 31 HB2 ASN 31 8.935 -6.058 -3.961 213 HD21 ASN 31 HD21 ASN 31 9.445 -8.646 -4.683 214 HD22 ASN 31 HD22 ASN 31 10.058 -8.737 -6.263 215 H ASP 32 H ASP 32 11.692 -3.692 -6.205 216 HA ASP 32 HA ASP 32 9.714 -1.738 -6.775 217 HB2 ASP 32 HB3 ASP 32 11.678 -3.123 -8.625 218 HB3 ASP 32 HB2 ASP 32 10.717 -1.716 -9.078 219 H ASP 33 H ASP 33 9.989 -5.112 -7.688 220 HA ASP 33 HA ASP 33 7.935 -5.126 -9.687 221 HB2 ASP 33 HB3 ASP 33 9.660 -6.942 -9.260 222 HB3 ASP 33 HB2 ASP 33 8.688 -7.426 -7.872 223 H LYS 34 H LYS 34 7.856 -5.226 -6.186 224 HA LYS 34 HA LYS 34 4.922 -5.769 -6.295 225 HB2 LYS 34 HB3 LYS 34 6.693 -5.802 -3.848 226 HB3 LYS 34 HB2 LYS 34 5.084 -6.498 -4.031 227 HG2 LYS 34 HG3 LYS 34 6.087 -7.968 -5.869 228 HG3 LYS 34 HG2 LYS 34 7.664 -7.432 -5.288 229 HD2 LYS 34 HD3 LYS 34 7.045 -8.223 -3.001 230 HD3 LYS 34 HD2 LYS 34 5.548 -8.871 -3.668 231 HE2 LYS 34 HE3 LYS 34 7.522 -9.851 -5.374 232 HE3 LYS 34 HE2 LYS 34 8.239 -9.983 -3.765 233 HZ1 LYS 34 HZ1 LYS 34 5.897 -11.319 -4.872 234 HZ2 LYS 34 HZ2 LYS 34 5.817 -10.866 -3.238 235 HZ3 LYS 34 HZ3 LYS 34 7.058 -11.894 -3.777 236 H LEU 35 H LEU 35 7.035 -3.213 -6.144 237 HA LEU 35 HA LEU 35 6.078 -1.603 -4.039 238 HB2 LEU 35 HB3 LEU 35 7.339 -1.083 -6.685 239 HB3 LEU 35 HB2 LEU 35 6.558 0.284 -5.890 240 HG LEU 35 HG LEU 35 8.640 -1.513 -4.607 241 HD11 LEU 35 HD11 LEU 35 10.256 -0.059 -5.273 242 HD12 LEU 35 HD12 LEU 35 9.212 1.346 -5.060 243 HD13 LEU 35 HD13 LEU 35 9.102 0.382 -6.530 244 HD21 LEU 35 HD21 LEU 35 7.710 -0.647 -2.720 245 HD22 LEU 35 HD22 LEU 35 6.805 0.565 -3.625 246 HD23 LEU 35 HD23 LEU 35 8.491 0.859 -3.198 247 H LEU 36 H LEU 36 4.812 -1.898 -7.373 248 HA LEU 36 HA LEU 36 2.651 -0.047 -6.988 249 HB2 LEU 36 HB3 LEU 36 3.425 -0.837 -9.222 250 HB3 LEU 36 HB2 LEU 36 2.774 -2.434 -8.857 251 HG LEU 36 HG LEU 36 0.885 -0.193 -8.451 252 HD11 LEU 36 HD11 LEU 36 0.409 -0.073 -10.916 253 HD12 LEU 36 HD12 LEU 36 1.898 -0.977 -11.200 254 HD13 LEU 36 HD13 LEU 36 1.966 0.627 -10.470 255 HD21 LEU 36 HD21 LEU 36 -0.680 -1.795 -9.142 256 HD22 LEU 36 HD22 LEU 36 0.564 -2.803 -8.402 257 HD23 LEU 36 HD23 LEU 36 0.487 -2.642 -10.156 258 H GLU 37 H GLU 37 2.968 -3.545 -6.477 259 HA GLU 37 HA GLU 37 0.237 -4.111 -5.908 260 HB2 GLU 37 HB3 GLU 37 2.732 -5.349 -4.696 261 HB3 GLU 37 HB2 GLU 37 1.113 -6.048 -4.634 262 HG2 GLU 37 HG3 GLU 37 1.079 -6.102 -7.127 263 HG3 GLU 37 HG2 GLU 37 2.742 -5.507 -7.132 264 H MET 38 H MET 38 2.877 -2.956 -3.836 265 HA MET 38 HA MET 38 1.350 -3.016 -1.391 266 HB2 MET 38 HB3 MET 38 3.827 -1.496 -2.219 267 HB3 MET 38 HB2 MET 38 3.162 -1.458 -0.586 268 HG2 MET 38 HG3 MET 38 3.955 -3.982 -2.057 269 HG3 MET 38 HG2 MET 38 4.962 -3.174 -0.860 270 HE1 MET 38 HE1 MET 38 1.999 -5.026 -1.851 271 HE2 MET 38 HE2 MET 38 1.312 -5.771 -0.413 272 HE3 MET 38 HE3 MET 38 2.880 -6.308 -1.014 273 H GLY 39 H GLY 39 2.071 -0.408 -3.721 274 HA2 GLY 39 HA3 GLY 39 0.740 1.657 -2.283 275 HA3 GLY 39 HA2 GLY 39 0.961 1.641 -4.035 276 H TYR 40 H TYR 40 -0.410 -0.984 -4.231 277 HA TYR 40 HA TYR 40 -3.172 0.077 -4.253 278 HB2 TYR 40 HB3 TYR 40 -2.385 -0.917 -6.319 279 HB3 TYR 40 HB2 TYR 40 -1.914 -2.393 -5.475 280 HD1 TYR 40 HD1 TYR 40 -3.658 -3.853 -4.439 281 HD2 TYR 40 HD2 TYR 40 -4.659 -0.520 -6.959 282 HE1 TYR 40 HE1 TYR 40 -5.944 -4.764 -4.735 283 HE2 TYR 40 HE2 TYR 40 -6.947 -1.431 -7.255 284 HH TYR 40 HH TYR 40 -8.093 -4.154 -5.384 285 H TYR 41 H TYR 41 -1.564 -2.982 -3.280 286 HA TYR 41 HA TYR 41 -3.885 -3.841 -1.775 287 HB2 TYR 41 HB3 TYR 41 -1.062 -4.889 -2.001 288 HB3 TYR 41 HB2 TYR 41 -2.268 -5.639 -0.957 289 HD1 TYR 41 HD1 TYR 41 -4.446 -6.446 -1.983 290 HD2 TYR 41 HD2 TYR 41 -1.054 -5.281 -4.344 291 HE1 TYR 41 HE1 TYR 41 -5.387 -7.658 -3.930 292 HE2 TYR 41 HE2 TYR 41 -1.994 -6.494 -6.291 293 HH TYR 41 HH TYR 41 -4.767 -7.199 -6.850 294 H CYS 42 H CYS 42 -0.621 -2.697 -0.789 295 HA CYS 42 HA CYS 42 -1.870 -1.970 1.815 296 HB2 CYS 42 HB3 CYS 42 0.907 -3.114 1.694 297 HB3 CYS 42 HB2 CYS 42 -0.180 -2.987 3.077 298 HA PRO 43 HA PRO 43 0.700 1.483 -0.034 299 HB2 PRO 43 HB3 PRO 43 -1.206 3.419 0.379 300 HB3 PRO 43 HB2 PRO 43 -1.078 2.468 -1.110 301 HG2 PRO 43 HG3 PRO 43 -2.906 2.110 1.213 302 HG3 PRO 43 HG2 PRO 43 -3.240 1.947 -0.522 303 HD2 PRO 43 HD3 PRO 43 -2.857 -0.207 1.085 304 HD3 PRO 43 HD2 PRO 43 -2.363 -0.205 -0.621 305 H VAL 44 H VAL 44 -1.324 1.246 2.840 306 HA VAL 44 HA VAL 44 0.096 3.356 4.276 307 HB VAL 44 HB VAL 44 -1.816 1.223 5.274 308 HG11 VAL 44 HG11 VAL 44 -1.999 2.483 7.272 309 HG12 VAL 44 HG12 VAL 44 -1.190 3.880 6.564 310 HG13 VAL 44 HG13 VAL 44 -0.267 2.430 6.954 311 HG21 VAL 44 HG21 VAL 44 -3.057 2.509 3.746 312 HG22 VAL 44 HG22 VAL 44 -2.177 3.989 4.135 313 HG23 VAL 44 HG23 VAL 44 -3.351 3.332 5.276 314 H THR 45 H THR 45 0.041 -0.209 4.354 315 HA THR 45 HA THR 45 1.844 -0.560 6.518 316 HB THR 45 HB THR 45 1.588 -2.334 4.080 317 HG1 THR 45 HG1 THR 45 -0.401 -2.363 4.828 318 HG21 THR 45 HG21 THR 45 2.206 -4.096 5.776 319 HG22 THR 45 HG22 THR 45 2.556 -2.789 6.909 320 HG23 THR 45 HG23 THR 45 3.488 -2.940 5.421 321 H CYS 46 H CYS 46 2.483 -0.037 3.060 322 HA CYS 46 HA CYS 46 5.365 -0.400 3.507 323 HB2 CYS 46 HB3 CYS 46 3.700 0.302 1.089 324 HB3 CYS 46 HB2 CYS 46 5.466 0.347 1.055 325 H GLY 47 H GLY 47 3.190 2.140 3.932 326 HA2 GLY 47 HA3 GLY 47 3.747 4.285 4.767 327 HA3 GLY 47 HA2 GLY 47 5.430 3.974 4.366 328 H PHE 48 H PHE 48 2.658 3.824 2.109 329 HA PHE 48 HA PHE 48 4.002 6.022 0.583 330 HB2 PHE 48 HB3 PHE 48 1.922 4.029 -0.378 331 HB3 PHE 48 HB2 PHE 48 2.746 5.230 -1.371 332 HD1 PHE 48 HD1 PHE 48 5.500 5.132 -0.789 333 HD2 PHE 48 HD2 PHE 48 2.690 1.889 -0.757 334 HE1 PHE 48 HE1 PHE 48 7.348 3.524 -1.179 335 HE2 PHE 48 HE2 PHE 48 4.533 0.285 -1.143 336 HZ PHE 48 HZ PHE 48 6.863 1.099 -1.355 337 H CYS 49 H CYS 49 1.277 5.109 2.413 338 HA CYS 49 HA CYS 49 -0.090 7.675 1.701 339 HB2 CYS 49 HB3 CYS 49 -1.165 4.910 2.102 340 HB3 CYS 49 HB2 CYS 49 -2.162 6.274 2.600 341 H GLU 50 H GLU 50 -1.424 8.506 3.574 342 HA GLU 50 HA GLU 50 0.044 8.010 6.112 343 HB2 GLU 50 HB3 GLU 50 -1.693 10.272 5.117 344 HB3 GLU 50 HB2 GLU 50 -1.270 10.116 6.821 345 HG2 GLU 50 HG3 GLU 50 0.917 9.952 4.780 346 HG3 GLU 50 HG2 GLU 50 0.254 11.536 5.186 347 HA PRO 51 HA PRO 51 -3.591 5.705 7.367 348 HB2 PRO 51 HB3 PRO 51 -2.868 5.279 9.974 349 HB3 PRO 51 HB2 PRO 51 -2.210 4.354 8.612 350 HG2 PRO 51 HG3 PRO 51 -0.998 6.587 10.148 351 HG3 PRO 51 HG2 PRO 51 -0.239 5.148 9.448 352 HD2 PRO 51 HD3 PRO 51 -0.122 7.656 8.303 353 HD3 PRO 51 HD2 PRO 51 0.046 6.142 7.389 Start of MODEL 30 1 HA ASN 1 HA ASN 1 -8.879 26.036 -6.397 2 HB2 ASN 1 HB3 ASN 1 -7.626 27.561 -4.868 3 HB3 ASN 1 HB2 ASN 1 -6.437 26.282 -4.610 4 HD21 ASN 1 HD21 ASN 1 -7.969 28.119 -7.318 5 HD22 ASN 1 HD22 ASN 1 -6.585 28.107 -8.300 6 H ASP 2 H ASP 2 -6.729 25.372 -7.697 7 HA ASP 2 HA ASP 2 -5.637 23.589 -8.762 8 HB2 ASP 2 HB3 ASP 2 -5.555 22.560 -5.911 9 HB3 ASP 2 HB2 ASP 2 -4.623 21.894 -7.250 10 H ILE 3 H ILE 3 -6.596 22.065 -10.015 11 HA ILE 3 HA ILE 3 -9.123 20.861 -9.185 12 HB ILE 3 HB ILE 3 -7.445 20.214 -11.631 13 HG12 ILE 3 HG13 ILE 3 -7.868 22.609 -11.607 14 HG13 ILE 3 HG12 ILE 3 -8.986 21.870 -12.757 15 HG21 ILE 3 HG21 ILE 3 -9.120 18.776 -12.088 16 HG22 ILE 3 HG22 ILE 3 -10.276 20.106 -12.025 17 HG23 ILE 3 HG23 ILE 3 -9.898 19.196 -10.563 18 HD11 ILE 3 HD11 ILE 3 -10.397 23.268 -11.512 19 HD12 ILE 3 HD12 ILE 3 -9.549 22.943 -10.004 20 HD13 ILE 3 HD13 ILE 3 -10.600 21.714 -10.707 21 H ARG 4 H ARG 4 -5.954 20.166 -8.520 22 HA ARG 4 HA ARG 4 -6.025 17.265 -8.721 23 HB2 ARG 4 HB3 ARG 4 -4.238 19.113 -7.101 24 HB3 ARG 4 HB2 ARG 4 -3.974 17.384 -7.312 25 HG2 ARG 4 HG3 ARG 4 -3.837 17.719 -9.768 26 HG3 ARG 4 HG2 ARG 4 -4.035 19.457 -9.524 27 HD2 ARG 4 HD3 ARG 4 -1.997 19.423 -8.065 28 HD3 ARG 4 HD2 ARG 4 -1.771 17.727 -8.493 29 HE ARG 4 HE ARG 4 -1.962 19.574 -10.776 30 HH11 ARG 4 HH21 ARG 4 -0.035 17.894 -8.473 31 HH12 ARG 4 HH22 ARG 4 1.394 17.906 -9.452 32 HH21 ARG 4 HH11 ARG 4 -0.098 19.610 -12.076 33 HH22 ARG 4 HH12 ARG 4 1.361 18.884 -11.488 34 H THR 5 H THR 5 -7.713 19.372 -6.819 35 HA THR 5 HA THR 5 -7.543 17.863 -4.306 36 HB THR 5 HB THR 5 -7.969 20.400 -4.542 37 HG1 THR 5 HG1 THR 5 -8.320 19.797 -2.551 38 HG21 THR 5 HG21 THR 5 -9.849 19.878 -6.267 39 HG22 THR 5 HG22 THR 5 -10.132 21.146 -5.072 40 HG23 THR 5 HG23 THR 5 -10.839 19.548 -4.844 41 H ALA 6 H ALA 6 -9.065 17.409 -7.239 42 HA ALA 6 HA ALA 6 -11.625 16.408 -6.247 43 HB1 ALA 6 HB1 ALA 6 -10.613 17.144 -8.746 44 HB2 ALA 6 HB2 ALA 6 -12.192 16.429 -8.434 45 HB3 ALA 6 HB3 ALA 6 -10.830 15.398 -8.864 46 H ALA 7 H ALA 7 -8.482 15.228 -6.182 47 HA ALA 7 HA ALA 7 -8.898 12.447 -6.760 48 HB1 ALA 7 HB1 ALA 7 -6.836 14.067 -5.353 49 HB2 ALA 7 HB2 ALA 7 -6.641 12.852 -6.618 50 HB3 ALA 7 HB3 ALA 7 -6.903 12.352 -4.945 51 H ASP 8 H ASP 8 -9.439 10.735 -5.362 52 HA ASP 8 HA ASP 8 -10.625 11.561 -2.741 53 HB2 ASP 8 HB3 ASP 8 -11.328 9.268 -4.601 54 HB3 ASP 8 HB2 ASP 8 -12.009 9.468 -2.987 55 H MET 9 H MET 9 -7.857 10.505 -3.793 56 HA MET 9 HA MET 9 -7.536 8.046 -2.239 57 HB2 MET 9 HB3 MET 9 -5.586 9.759 -3.799 58 HB3 MET 9 HB2 MET 9 -5.126 8.274 -2.971 59 HG2 MET 9 HG3 MET 9 -7.082 8.583 -5.261 60 HG3 MET 9 HG2 MET 9 -5.570 7.676 -5.255 61 HE1 MET 9 HE1 MET 9 -5.072 6.070 -3.315 62 HE2 MET 9 HE2 MET 9 -6.225 4.922 -2.639 63 HE3 MET 9 HE3 MET 9 -6.130 6.553 -1.983 64 H GLU 10 H GLU 10 -8.138 10.782 -0.976 65 HA GLU 10 HA GLU 10 -5.787 11.518 0.508 66 HB2 GLU 10 HB3 GLU 10 -7.791 12.988 0.227 67 HB3 GLU 10 HB2 GLU 10 -8.694 11.906 1.288 68 HG2 GLU 10 HG3 GLU 10 -6.990 12.302 3.071 69 HG3 GLU 10 HG2 GLU 10 -6.198 13.470 2.014 70 H HIS 11 H HIS 11 -8.309 9.117 0.985 71 HA HIS 11 HA HIS 11 -7.127 8.436 3.631 72 HB2 HIS 11 HB3 HIS 11 -9.722 7.538 2.345 73 HB3 HIS 11 HB2 HIS 11 -9.188 7.115 3.970 74 HD1 HIS 11 HD1 HIS 11 -10.578 9.951 1.947 75 HD2 HIS 11 HD2 HIS 11 -9.324 9.263 5.869 76 HE1 HIS 11 HE1 HIS 11 -11.372 11.933 3.314 77 HE2 HIS 11 HE2 HIS 11 -10.598 11.533 5.697 78 H CYS 12 H CYS 12 -5.586 6.892 3.520 79 HA CYS 12 HA CYS 12 -5.873 4.748 1.454 80 HB2 CYS 12 HB3 CYS 12 -3.383 5.724 2.874 81 HB3 CYS 12 HB2 CYS 12 -3.435 4.470 1.637 82 H ALA 13 H ALA 13 -5.919 2.626 2.167 83 HA ALA 13 HA ALA 13 -5.370 2.118 5.055 84 HB1 ALA 13 HB1 ALA 13 -7.517 1.605 5.483 85 HB2 ALA 13 HB2 ALA 13 -7.551 0.482 4.123 86 HB3 ALA 13 HB3 ALA 13 -7.933 2.186 3.871 87 H ASP 14 H ASP 14 -4.637 -0.037 5.496 88 HA ASP 14 HA ASP 14 -3.386 -1.353 3.216 89 HB2 ASP 14 HB3 ASP 14 -2.568 -2.987 4.863 90 HB3 ASP 14 HB2 ASP 14 -2.278 -1.343 5.425 91 H GLU 15 H GLU 15 -4.033 -3.293 2.236 92 HA GLU 15 HA GLU 15 -6.824 -3.886 2.245 93 HB2 GLU 15 HB3 GLU 15 -4.445 -4.902 0.906 94 HB3 GLU 15 HB2 GLU 15 -5.541 -6.210 1.342 95 HG2 GLU 15 HG3 GLU 15 -7.255 -4.261 0.344 96 HG3 GLU 15 HG2 GLU 15 -5.844 -4.139 -0.705 97 H LYS 16 H LYS 16 -8.022 -5.322 3.419 98 HA LYS 16 HA LYS 16 -6.717 -6.584 5.739 99 HB2 LYS 16 HB3 LYS 16 -8.965 -7.062 6.490 100 HB3 LYS 16 HB2 LYS 16 -8.943 -5.403 5.889 101 HG2 LYS 16 HG3 LYS 16 -9.754 -6.272 3.674 102 HG3 LYS 16 HG2 LYS 16 -9.941 -7.861 4.422 103 HD2 LYS 16 HD3 LYS 16 -11.366 -6.703 6.192 104 HD3 LYS 16 HD2 LYS 16 -11.381 -5.302 5.123 105 HE2 LYS 16 HE3 LYS 16 -12.508 -8.055 4.609 106 HE3 LYS 16 HE2 LYS 16 -13.347 -6.504 4.563 107 HZ1 LYS 16 HZ1 LYS 16 -12.961 -7.134 2.341 108 HZ2 LYS 16 HZ2 LYS 16 -11.338 -7.539 2.644 109 HZ3 LYS 16 HZ3 LYS 16 -11.833 -5.911 2.676 110 H ASN 17 H ASN 17 -7.640 -7.401 2.550 111 HA ASN 17 HA ASN 17 -7.875 -10.292 3.153 112 HB2 ASN 17 HB3 ASN 17 -8.032 -8.811 0.510 113 HB3 ASN 17 HB2 ASN 17 -8.431 -10.510 0.772 114 HD21 ASN 17 HD21 ASN 17 -9.880 -7.526 0.486 115 HD22 ASN 17 HD22 ASN 17 -11.281 -7.807 1.402 116 H PHE 18 H PHE 18 -5.490 -8.008 2.232 117 HA PHE 18 HA PHE 18 -3.740 -10.168 1.146 118 HB2 PHE 18 HB3 PHE 18 -4.029 -8.077 -0.215 119 HB3 PHE 18 HB2 PHE 18 -3.300 -7.167 1.107 120 HD1 PHE 18 HD2 PHE 18 -2.697 -9.676 -1.534 121 HD2 PHE 18 HD1 PHE 18 -0.927 -7.346 1.610 122 HE1 PHE 18 HE2 PHE 18 -0.438 -10.232 -2.393 123 HE2 PHE 18 HE1 PHE 18 1.330 -7.900 0.749 124 HZ PHE 18 HZ PHE 18 1.577 -9.343 -1.252 125 H ASP 19 H ASP 19 -2.090 -10.910 2.415 126 HA ASP 19 HA ASP 19 -1.794 -9.880 5.119 127 HB2 ASP 19 HB3 ASP 19 -0.113 -11.898 3.591 128 HB3 ASP 19 HB2 ASP 19 -0.025 -11.594 5.329 129 H CYS 20 H CYS 20 -1.145 -7.684 4.735 130 HA CYS 20 HA CYS 20 1.190 -7.001 3.175 131 HB2 CYS 20 HB3 CYS 20 0.003 -5.403 5.455 132 HB3 CYS 20 HB2 CYS 20 0.909 -4.794 4.068 133 H ARG 21 H ARG 21 0.596 -7.742 6.563 134 HA ARG 21 HA ARG 21 3.101 -6.959 7.635 135 HB2 ARG 21 HB3 ARG 21 0.929 -7.885 8.784 136 HB3 ARG 21 HB2 ARG 21 1.682 -9.459 8.536 137 HG2 ARG 21 HG3 ARG 21 2.760 -7.124 10.128 138 HG3 ARG 21 HG2 ARG 21 2.345 -8.731 10.719 139 HD2 ARG 21 HD3 ARG 21 4.145 -9.651 9.191 140 HD3 ARG 21 HD2 ARG 21 4.641 -7.982 8.900 141 HE ARG 21 HE ARG 21 5.050 -9.487 11.379 142 HH11 ARG 21 HH21 ARG 21 4.886 -6.451 9.745 143 HH12 ARG 21 HH22 ARG 21 5.799 -5.606 10.951 144 HH21 ARG 21 HH11 ARG 21 6.242 -8.404 12.953 145 HH22 ARG 21 HH12 ARG 21 6.549 -6.709 12.778 146 H ARG 22 H ARG 22 2.052 -10.007 6.140 147 HA ARG 22 HA ARG 22 4.580 -11.341 6.454 148 HB2 ARG 22 HB3 ARG 22 2.886 -12.843 6.017 149 HB3 ARG 22 HB2 ARG 22 2.091 -11.769 4.868 150 HG2 ARG 22 HG3 ARG 22 3.643 -12.252 3.157 151 HG3 ARG 22 HG2 ARG 22 4.787 -12.976 4.288 152 HD2 ARG 22 HD3 ARG 22 3.247 -14.834 4.702 153 HD3 ARG 22 HD2 ARG 22 2.044 -14.091 3.641 154 HE ARG 22 HE ARG 22 3.227 -14.983 1.819 155 HH11 ARG 22 HH21 ARG 22 5.227 -14.717 4.617 156 HH12 ARG 22 HH22 ARG 22 6.614 -15.419 3.855 157 HH21 ARG 22 HH11 ARG 22 5.021 -15.886 0.805 158 HH22 ARG 22 HH12 ARG 22 6.498 -16.076 1.690 159 H SER 23 H SER 23 3.081 -9.598 3.734 160 HA SER 23 HA SER 23 5.299 -9.921 1.946 161 HB2 SER 23 HB3 SER 23 4.216 -8.206 0.616 162 HB3 SER 23 HB2 SER 23 2.968 -9.243 1.298 163 HG SER 23 HG SER 23 3.263 -7.482 3.109 164 H LEU 24 H LEU 24 4.513 -7.502 4.414 165 HA LEU 24 HA LEU 24 6.521 -5.594 3.726 166 HB2 LEU 24 HB3 LEU 24 4.730 -5.063 5.311 167 HB3 LEU 24 HB2 LEU 24 5.347 -6.272 6.439 168 HG LEU 24 HG LEU 24 7.552 -4.989 6.417 169 HD11 LEU 24 HD11 LEU 24 7.482 -3.605 4.541 170 HD12 LEU 24 HD12 LEU 24 7.072 -2.481 5.836 171 HD13 LEU 24 HD13 LEU 24 5.799 -3.147 4.812 172 HD21 LEU 24 HD21 LEU 24 4.966 -3.988 7.555 173 HD22 LEU 24 HD22 LEU 24 6.423 -3.020 7.774 174 HD23 LEU 24 HD23 LEU 24 6.363 -4.672 8.385 175 H ARG 25 H ARG 25 6.629 -8.331 6.032 176 HA ARG 25 HA ARG 25 9.369 -7.877 6.780 177 HB2 ARG 25 HB3 ARG 25 9.258 -10.249 7.617 178 HB3 ARG 25 HB2 ARG 25 7.953 -9.227 8.217 179 HG2 ARG 25 HG3 ARG 25 6.440 -10.107 6.518 180 HG3 ARG 25 HG2 ARG 25 7.737 -11.077 5.823 181 HD2 ARG 25 HD3 ARG 25 6.542 -12.590 7.212 182 HD3 ARG 25 HD2 ARG 25 7.951 -12.135 8.166 183 HE ARG 25 HE ARG 25 5.550 -10.497 8.632 184 HH11 ARG 25 HH21 ARG 25 7.475 -13.233 9.489 185 HH12 ARG 25 HH22 ARG 25 6.904 -13.284 11.124 186 HH21 ARG 25 HH11 ARG 25 4.787 -10.568 10.765 187 HH22 ARG 25 HH12 ARG 25 5.383 -11.785 11.842 188 H ASN 26 H ASN 26 7.834 -9.442 4.092 189 HA ASN 26 HA ASN 26 10.169 -10.974 3.274 190 HB2 ASN 26 HB3 ASN 26 7.651 -10.156 1.803 191 HB3 ASN 26 HB2 ASN 26 8.858 -11.269 1.162 192 HD21 ASN 26 HD21 ASN 26 5.979 -11.802 1.959 193 HD22 ASN 26 HD22 ASN 26 6.067 -13.061 3.094 194 H GLY 27 H GLY 27 9.563 -7.722 3.330 195 HA2 GLY 27 HA3 GLY 27 10.897 -5.981 2.442 196 HA3 GLY 27 HA2 GLY 27 11.747 -7.176 1.459 197 H ASP 28 H ASP 28 8.271 -7.141 1.395 198 HA ASP 28 HA ASP 28 8.143 -6.855 -1.431 199 HB2 ASP 28 HB3 ASP 28 6.358 -7.823 0.057 200 HB3 ASP 28 HB2 ASP 28 5.946 -6.177 0.538 201 H CYS 29 H CYS 29 7.855 -4.441 1.166 202 HA CYS 29 HA CYS 29 7.109 -2.262 -0.566 203 HB2 CYS 29 HB3 CYS 29 8.693 -2.042 2.009 204 HB3 CYS 29 HB2 CYS 29 7.627 -0.833 1.294 205 H ASP 30 H ASP 30 10.047 -3.941 0.057 206 HA ASP 30 HA ASP 30 11.722 -1.766 -1.049 207 HB2 ASP 30 HB3 ASP 30 12.386 -4.495 0.087 208 HB3 ASP 30 HB2 ASP 30 13.592 -3.375 -0.549 209 H ASN 31 H ASN 31 9.860 -4.235 -2.292 210 HA ASN 31 HA ASN 31 11.765 -4.858 -4.486 211 HB2 ASN 31 HB3 ASN 31 10.412 -6.664 -3.299 212 HB3 ASN 31 HB2 ASN 31 8.987 -5.968 -4.069 213 HD21 ASN 31 HD21 ASN 31 9.403 -8.502 -4.838 214 HD22 ASN 31 HD22 ASN 31 10.120 -8.607 -6.372 215 H ASP 32 H ASP 32 11.687 -3.471 -6.166 216 HA ASP 32 HA ASP 32 9.642 -1.569 -6.629 217 HB2 ASP 32 HB3 ASP 32 11.949 -1.485 -7.597 218 HB3 ASP 32 HB2 ASP 32 11.488 -2.785 -8.697 219 H ASP 33 H ASP 33 10.018 -4.886 -7.712 220 HA ASP 33 HA ASP 33 7.947 -4.844 -9.697 221 HB2 ASP 33 HB3 ASP 33 9.680 -6.637 -9.486 222 HB3 ASP 33 HB2 ASP 33 8.873 -7.195 -8.021 223 H LYS 34 H LYS 34 7.886 -5.000 -6.216 224 HA LYS 34 HA LYS 34 4.974 -5.659 -6.335 225 HB2 LYS 34 HB3 LYS 34 6.752 -5.755 -3.893 226 HB3 LYS 34 HB2 LYS 34 5.154 -6.477 -4.098 227 HG2 LYS 34 HG3 LYS 34 6.175 -7.859 -5.989 228 HG3 LYS 34 HG2 LYS 34 7.746 -7.307 -5.406 229 HD2 LYS 34 HD3 LYS 34 7.205 -8.203 -3.154 230 HD3 LYS 34 HD2 LYS 34 5.682 -8.820 -3.786 231 HE2 LYS 34 HE3 LYS 34 7.333 -9.907 -5.599 232 HE3 LYS 34 HE2 LYS 34 8.460 -9.799 -4.247 233 HZ1 LYS 34 HZ1 LYS 34 7.213 -11.207 -2.965 234 HZ2 LYS 34 HZ2 LYS 34 6.945 -11.870 -4.507 235 HZ3 LYS 34 HZ3 LYS 34 5.768 -10.879 -3.787 236 H LEU 35 H LEU 35 7.021 -3.069 -6.097 237 HA LEU 35 HA LEU 35 5.997 -1.553 -3.940 238 HB2 LEU 35 HB3 LEU 35 7.269 -0.877 -6.567 239 HB3 LEU 35 HB2 LEU 35 6.548 0.422 -5.620 240 HG LEU 35 HG LEU 35 8.632 -1.531 -4.599 241 HD11 LEU 35 HD11 LEU 35 9.172 1.377 -4.748 242 HD12 LEU 35 HD12 LEU 35 9.084 0.546 -6.301 243 HD13 LEU 35 HD13 LEU 35 10.245 0.017 -5.082 244 HD21 LEU 35 HD21 LEU 35 6.862 0.457 -3.341 245 HD22 LEU 35 HD22 LEU 35 8.562 0.623 -2.902 246 HD23 LEU 35 HD23 LEU 35 7.720 -0.901 -2.613 247 H LEU 36 H LEU 36 4.813 -1.827 -7.299 248 HA LEU 36 HA LEU 36 2.622 0.008 -6.939 249 HB2 LEU 36 HB3 LEU 36 3.457 -0.750 -9.178 250 HB3 LEU 36 HB2 LEU 36 2.790 -2.349 -8.847 251 HG LEU 36 HG LEU 36 0.919 -0.077 -8.465 252 HD11 LEU 36 HD11 LEU 36 1.747 0.818 -10.458 253 HD12 LEU 36 HD12 LEU 36 0.504 -0.283 -11.058 254 HD13 LEU 36 HD13 LEU 36 2.201 -0.762 -11.095 255 HD21 LEU 36 HD21 LEU 36 0.436 -2.488 -10.176 256 HD22 LEU 36 HD22 LEU 36 -0.661 -1.671 -9.065 257 HD23 LEU 36 HD23 LEU 36 0.604 -2.725 -8.437 258 H GLU 37 H GLU 37 3.011 -3.486 -6.476 259 HA GLU 37 HA GLU 37 0.274 -4.094 -5.942 260 HB2 GLU 37 HB3 GLU 37 2.763 -5.363 -4.744 261 HB3 GLU 37 HB2 GLU 37 1.147 -6.068 -4.741 262 HG2 GLU 37 HG3 GLU 37 1.175 -6.003 -7.250 263 HG3 GLU 37 HG2 GLU 37 2.850 -5.457 -7.171 264 H MET 38 H MET 38 2.923 -3.015 -3.830 265 HA MET 38 HA MET 38 1.351 -3.097 -1.409 266 HB2 MET 38 HB3 MET 38 3.881 -1.615 -2.134 267 HB3 MET 38 HB2 MET 38 3.190 -1.637 -0.514 268 HG2 MET 38 HG3 MET 38 3.965 -4.104 -2.089 269 HG3 MET 38 HG2 MET 38 4.968 -3.370 -0.838 270 HE1 MET 38 HE1 MET 38 1.946 -5.118 -1.931 271 HE2 MET 38 HE2 MET 38 1.371 -6.035 -0.542 272 HE3 MET 38 HE3 MET 38 2.940 -6.413 -1.247 273 H GLY 39 H GLY 39 2.250 -0.441 -3.629 274 HA2 GLY 39 HA3 GLY 39 0.935 1.634 -2.207 275 HA3 GLY 39 HA2 GLY 39 1.205 1.640 -3.954 276 H TYR 40 H TYR 40 -0.264 -0.963 -4.172 277 HA TYR 40 HA TYR 40 -2.982 0.208 -4.260 278 HB2 TYR 40 HB3 TYR 40 -2.230 -0.823 -6.319 279 HB3 TYR 40 HB2 TYR 40 -1.791 -2.304 -5.469 280 HD1 TYR 40 HD2 TYR 40 -3.511 -3.810 -4.578 281 HD2 TYR 40 HD1 TYR 40 -4.558 -0.309 -6.835 282 HE1 TYR 40 HE2 TYR 40 -5.810 -4.684 -4.866 283 HE2 TYR 40 HE1 TYR 40 -6.863 -1.186 -7.124 284 HH TYR 40 HH TYR 40 -7.711 -4.427 -6.307 285 H TYR 41 H TYR 41 -1.464 -2.869 -3.223 286 HA TYR 41 HA TYR 41 -3.842 -3.618 -1.727 287 HB2 TYR 41 HB3 TYR 41 -1.075 -4.814 -1.908 288 HB3 TYR 41 HB2 TYR 41 -2.358 -5.497 -0.911 289 HD1 TYR 41 HD1 TYR 41 -4.641 -5.934 -2.090 290 HD2 TYR 41 HD2 TYR 41 -0.926 -5.415 -4.173 291 HE1 TYR 41 HE1 TYR 41 -5.596 -7.079 -4.071 292 HE2 TYR 41 HE2 TYR 41 -1.877 -6.556 -6.160 293 HH TYR 41 HH TYR 41 -4.034 -7.065 -7.129 294 H CYS 42 H CYS 42 -0.532 -2.601 -0.770 295 HA CYS 42 HA CYS 42 -1.744 -1.828 1.842 296 HB2 CYS 42 HB3 CYS 42 0.996 -3.054 1.727 297 HB3 CYS 42 HB2 CYS 42 -0.110 -2.918 3.096 298 HA PRO 43 HA PRO 43 0.911 1.572 0.039 299 HB2 PRO 43 HB3 PRO 43 -0.951 3.549 0.435 300 HB3 PRO 43 HB2 PRO 43 -0.868 2.575 -1.044 301 HG2 PRO 43 HG3 PRO 43 -2.668 2.285 1.312 302 HG3 PRO 43 HG2 PRO 43 -3.040 2.133 -0.415 303 HD2 PRO 43 HD3 PRO 43 -2.687 -0.037 1.181 304 HD3 PRO 43 HD2 PRO 43 -2.226 -0.042 -0.538 305 H VAL 44 H VAL 44 -1.138 1.340 2.906 306 HA VAL 44 HA VAL 44 0.300 3.403 4.387 307 HB VAL 44 HB VAL 44 -1.671 1.264 5.240 308 HG11 VAL 44 HG11 VAL 44 -1.790 2.886 7.293 309 HG12 VAL 44 HG12 VAL 44 -0.172 3.370 6.780 310 HG13 VAL 44 HG13 VAL 44 -0.493 1.692 7.219 311 HG21 VAL 44 HG21 VAL 44 -2.156 3.495 3.783 312 HG22 VAL 44 HG22 VAL 44 -2.253 4.175 5.407 313 HG23 VAL 44 HG23 VAL 44 -3.304 2.839 4.946 314 H THR 45 H THR 45 0.233 -0.154 4.376 315 HA THR 45 HA THR 45 2.043 -0.561 6.528 316 HB THR 45 HB THR 45 1.710 -2.297 4.072 317 HG1 THR 45 HG1 THR 45 0.361 -3.211 6.119 318 HG21 THR 45 HG21 THR 45 3.635 -2.882 5.469 319 HG22 THR 45 HG22 THR 45 2.372 -4.102 5.627 320 HG23 THR 45 HG23 THR 45 2.607 -2.905 6.900 321 H CYS 46 H CYS 46 2.665 -0.051 3.063 322 HA CYS 46 HA CYS 46 5.540 -0.456 3.485 323 HB2 CYS 46 HB3 CYS 46 3.857 0.244 1.085 324 HB3 CYS 46 HB2 CYS 46 5.622 0.254 1.027 325 H GLY 47 H GLY 47 3.490 2.091 4.071 326 HA2 GLY 47 HA3 GLY 47 4.058 4.264 4.776 327 HA3 GLY 47 HA2 GLY 47 5.735 3.920 4.365 328 H PHE 48 H PHE 48 2.999 3.652 2.107 329 HA PHE 48 HA PHE 48 4.300 5.803 0.484 330 HB2 PHE 48 HB3 PHE 48 2.240 3.743 -0.375 331 HB3 PHE 48 HB2 PHE 48 3.106 4.860 -1.427 332 HD1 PHE 48 HD2 PHE 48 5.780 4.554 0.266 333 HD2 PHE 48 HD1 PHE 48 3.073 1.787 -1.597 334 HE1 PHE 48 HE2 PHE 48 7.617 2.922 0.030 335 HE2 PHE 48 HE1 PHE 48 4.922 0.156 -1.834 336 HZ PHE 48 HZ PHE 48 7.188 0.721 -1.022 337 H CYS 49 H CYS 49 1.734 5.131 2.526 338 HA CYS 49 HA CYS 49 0.506 7.726 1.936 339 HB2 CYS 49 HB3 CYS 49 -0.547 5.748 0.504 340 HB3 CYS 49 HB2 CYS 49 -1.405 5.430 2.008 341 H GLU 50 H GLU 50 -1.462 7.979 3.568 342 HA GLU 50 HA GLU 50 -0.541 6.833 6.171 343 HB2 GLU 50 HB3 GLU 50 -2.218 9.323 5.776 344 HB3 GLU 50 HB2 GLU 50 -1.368 8.817 7.236 345 HG2 GLU 50 HG3 GLU 50 0.174 10.328 6.430 346 HG3 GLU 50 HG2 GLU 50 0.729 8.885 5.578 347 HA PRO 51 HA PRO 51 -4.209 4.478 6.751 348 HB2 PRO 51 HB3 PRO 51 -4.600 6.041 9.265 349 HB3 PRO 51 HB2 PRO 51 -4.584 4.285 9.021 350 HG2 PRO 51 HG3 PRO 51 -2.511 5.648 10.086 351 HG3 PRO 51 HG2 PRO 51 -2.323 4.150 9.168 352 HD2 PRO 51 HD3 PRO 51 -1.557 6.886 8.407 353 HD3 PRO 51 HD2 PRO 51 -1.048 5.337 7.700
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