NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575917 | 2m6m | 19146 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 19 H1 VAL 19 16.305 18.215 40.543 2 H2 VAL 19 H2 VAL 19 15.903 17.499 41.955 3 H3 VAL 19 H3 VAL 19 17.473 17.766 41.602 4 HA VAL 19 HA VAL 19 16.717 19.378 43.228 5 HB VAL 19 HB VAL 19 17.175 20.689 40.519 6 HG11 VAL 19 HG11 VAL 19 17.673 21.702 43.357 7 HG12 VAL 19 HG12 VAL 19 18.136 22.538 41.861 8 HG13 VAL 19 HG13 VAL 19 16.431 22.313 42.235 9 HG21 VAL 19 HG21 VAL 19 19.186 19.767 42.628 10 HG22 VAL 19 HG22 VAL 19 19.023 19.126 40.971 11 HG23 VAL 19 HG23 VAL 19 19.566 20.780 41.222 12 H ALA 20 H ALA 20 14.877 20.116 44.110 13 HA ALA 20 HA ALA 20 12.748 21.267 42.402 14 HB1 ALA 20 HB1 ALA 20 12.291 18.958 44.351 15 HB2 ALA 20 HB2 ALA 20 11.044 19.781 43.388 16 HB3 ALA 20 HB3 ALA 20 12.290 18.824 42.578 17 H ASN 21 H ASN 21 14.658 22.220 44.609 18 HA ASN 21 HA ASN 21 12.833 23.102 46.745 19 HB2 ASN 21 HB2 ASN 21 14.773 24.076 47.752 20 HB3 ASN 21 HB3 ASN 21 15.199 22.461 47.208 21 HD21 ASN 21 HD22 ASN 21 16.555 25.392 47.512 22 HD22 ASN 21 HD21 ASN 21 17.584 25.385 46.087 23 H GLU 22 H GLU 22 14.019 24.405 43.724 24 HA GLU 22 HA GLU 22 13.587 27.197 44.202 25 HB2 GLU 22 HB2 GLU 22 13.670 25.580 41.617 26 HB3 GLU 22 HB3 GLU 22 13.706 27.346 41.711 27 HG2 GLU 22 HG2 GLU 22 15.772 27.217 43.106 28 HG3 GLU 22 HG3 GLU 22 15.803 25.469 42.868 29 H GLU 23 H GLU 23 12.078 28.465 42.647 30 HA GLU 23 HA GLU 23 9.294 27.375 42.703 31 HB2 GLU 23 HB3 GLU 23 8.468 29.482 43.539 32 HB3 GLU 23 HB2 GLU 23 9.649 28.808 44.655 33 HG2 GLU 23 HG2 GLU 23 11.382 30.368 43.786 34 HG3 GLU 23 HG3 GLU 23 10.217 31.036 42.643 35 H THR 24 H THR 24 11.523 28.020 40.591 36 HA THR 24 HA THR 24 9.716 28.710 38.445 37 HB THR 24 HB THR 24 10.282 30.976 39.364 38 HG1 THR 24 HG1 THR 24 9.721 30.979 37.296 39 HG21 THR 24 HG21 THR 24 13.101 30.436 38.343 40 HG22 THR 24 HG22 THR 24 12.457 31.964 38.977 41 HG23 THR 24 HG23 THR 24 12.636 30.570 40.056 42 H ASP 25 H ASP 25 10.852 28.586 36.309 43 HA ASP 25 HA ASP 25 13.517 27.492 36.112 44 HB2 ASP 25 HB2 ASP 25 12.160 25.490 36.922 45 HB3 ASP 25 HB3 ASP 25 11.193 25.626 35.455 46 H THR 26 H THR 26 14.109 27.068 33.836 47 HA THR 26 HA THR 26 13.262 29.040 32.000 48 HB THR 26 HB THR 26 14.637 26.391 31.394 49 HG1 THR 26 HG1 THR 26 16.520 27.557 31.753 50 HG21 THR 26 HG21 THR 26 15.751 27.703 29.578 51 HG22 THR 26 HG22 THR 26 14.014 27.546 29.318 52 HG23 THR 26 HG23 THR 26 14.681 29.076 29.935 53 H ALA 27 H ALA 27 11.887 29.081 30.253 54 HA ALA 27 HA ALA 27 10.340 26.715 29.416 55 HB1 ALA 27 HB1 ALA 27 8.187 27.871 29.837 56 HB2 ALA 27 HB2 ALA 27 9.085 27.655 31.351 57 HB3 ALA 27 HB3 ALA 27 9.056 29.243 30.558 58 H THR 28 H THR 28 8.770 27.414 27.619 59 HA THR 28 HA THR 28 9.817 29.637 25.906 60 HB THR 28 HB THR 28 9.219 26.820 24.928 61 HG1 THR 28 HG1 THR 28 11.318 26.550 24.738 62 HG21 THR 28 HG21 THR 28 10.284 27.619 22.811 63 HG22 THR 28 HG22 THR 28 8.766 28.450 23.162 64 HG23 THR 28 HG23 THR 28 10.318 29.267 23.475 65 H PHE 29 H PHE 29 8.246 30.735 24.765 66 HA PHE 29 HA PHE 29 5.486 29.715 24.625 67 HB2 PHE 29 HB2 PHE 29 6.319 32.336 25.939 68 HB3 PHE 29 HB3 PHE 29 4.685 31.960 25.429 69 HD1 PHE 29 HD2 PHE 29 3.296 30.337 26.635 70 HD2 PHE 29 HD1 PHE 29 7.294 31.265 27.951 71 HE1 PHE 29 HE2 PHE 29 2.826 29.256 28.821 72 HE2 PHE 29 HE1 PHE 29 6.816 30.196 30.143 73 HZ PHE 29 HZ PHE 29 4.589 29.178 30.577 74 H ASN 30 H ASN 30 4.625 30.202 22.724 75 HA ASN 30 HA ASN 30 5.370 32.551 21.121 76 HB2 ASN 30 HB3 ASN 30 7.147 30.691 20.762 77 HB3 ASN 30 HB2 ASN 30 5.870 29.762 19.988 78 HD21 ASN 30 HD22 ASN 30 6.301 29.842 17.846 79 HD22 ASN 30 HD21 ASN 30 6.742 31.308 16.959 80 H ASP 31 H ASP 31 4.200 32.505 18.927 81 HA ASP 31 HA ASP 31 1.491 31.277 19.179 82 HB2 ASP 31 HB3 ASP 31 1.655 33.771 19.567 83 HB3 ASP 31 HB2 ASP 31 2.201 33.942 17.898 84 H ASP 32 H ASP 32 3.829 30.255 17.929 85 HA ASP 32 HA ASP 32 2.743 29.083 15.519 86 HB2 ASP 32 HB2 ASP 32 3.701 31.250 14.647 87 HB3 ASP 32 HB3 ASP 32 5.270 30.788 15.301 88 H ALA 33 H ALA 33 4.523 27.449 14.690 89 HA ALA 33 HA ALA 33 5.221 25.564 16.589 90 HB1 ALA 33 HB1 ALA 33 6.641 24.619 14.826 91 HB2 ALA 33 HB2 ALA 33 5.045 25.113 14.213 92 HB3 ALA 33 HB3 ALA 33 6.483 26.117 13.891 93 HA PRO 34 HA PRO 34 8.669 27.849 18.499 94 HB2 PRO 34 HB3 PRO 34 8.667 25.536 20.342 95 HB3 PRO 34 HB2 PRO 34 8.574 27.255 20.732 96 HG2 PRO 34 HG3 PRO 34 6.431 25.460 20.935 97 HG3 PRO 34 HG2 PRO 34 6.209 27.160 20.562 98 HD2 PRO 34 HD3 PRO 34 6.180 24.832 18.646 99 HD3 PRO 34 HD2 PRO 34 5.237 26.322 18.646 100 H SER 35 H SER 35 10.878 27.524 18.487 101 HA SER 35 HA SER 35 11.922 25.056 17.312 102 HB2 SER 35 HB2 SER 35 13.448 27.484 18.355 103 HB3 SER 35 HB3 SER 35 14.123 26.179 17.363 104 HG SER 35 HG SER 35 13.547 28.018 16.107 105 H GLY 36 H GLY 36 11.334 26.069 20.448 106 HA2 GLY 36 HA2 GLY 36 12.753 23.730 21.638 107 HA3 GLY 36 HA3 GLY 36 13.007 25.344 22.320 108 H ALA 37 H ALA 37 10.127 23.866 21.056 109 HA ALA 37 HA ALA 37 8.222 24.872 22.728 110 HB1 ALA 37 HB1 ALA 37 6.769 22.964 22.093 111 HB2 ALA 37 HB2 ALA 37 7.636 23.630 20.701 112 HB3 ALA 37 HB3 ALA 37 8.185 22.105 21.451 113 H THR 38 H THR 38 7.049 24.207 24.487 114 HA THR 38 HA THR 38 8.287 22.179 26.179 115 HB THR 38 HB THR 38 7.991 23.660 28.203 116 HG1 THR 38 HG1 THR 38 7.771 25.688 26.235 117 HG21 THR 38 HG21 THR 38 9.859 24.903 26.155 118 HG22 THR 38 HG22 THR 38 10.057 24.812 27.921 119 HG23 THR 38 HG23 THR 38 10.154 23.347 26.919 120 H CYS 39 H CYS 39 7.061 21.185 27.799 121 HA CYS 39 HA CYS 39 4.465 20.494 27.369 122 HB2 CYS 39 HB3 CYS 39 5.848 19.220 28.655 123 HB3 CYS 39 HB2 CYS 39 6.368 20.357 29.711 124 H ARG 40 H ARG 40 2.717 20.768 28.813 125 HA ARG 40 HA ARG 40 1.880 23.590 29.306 126 HB2 ARG 40 HB3 ARG 40 -0.288 23.194 28.610 127 HB3 ARG 40 HB2 ARG 40 0.708 22.384 27.407 128 HG2 ARG 40 HG2 ARG 40 -0.592 20.630 27.644 129 HG3 ARG 40 HG3 ARG 40 0.192 20.297 29.161 130 HD2 ARG 40 HD2 ARG 40 -1.550 21.367 30.430 131 HD3 ARG 40 HD3 ARG 40 -2.146 22.226 29.020 132 HE ARG 40 HE ARG 40 -2.870 19.546 29.868 133 HH11 ARG 40 HH22 ARG 40 -2.785 21.650 27.012 134 HH12 ARG 40 HH21 ARG 40 -3.999 20.701 26.221 135 HH21 ARG 40 HH12 ARG 40 -4.517 18.486 28.752 136 HH22 ARG 40 HH11 ARG 40 -4.928 18.999 27.151 137 H ILE 41 H ILE 41 2.747 21.005 30.723 138 HA ILE 41 HA ILE 41 1.220 21.304 33.295 139 HB ILE 41 HB ILE 41 2.411 18.764 32.168 140 HG12 ILE 41 HG12 ILE 41 -0.458 19.651 32.790 141 HG13 ILE 41 HG13 ILE 41 0.245 19.446 31.184 142 HG21 ILE 41 HG21 ILE 41 2.786 18.722 34.587 143 HG22 ILE 41 HG22 ILE 41 1.079 19.142 34.881 144 HG23 ILE 41 HG23 ILE 41 1.548 17.582 34.166 145 HD11 ILE 41 HD11 ILE 41 -0.399 17.258 33.162 146 HD12 ILE 41 HD12 ILE 41 -1.052 17.540 31.537 147 HD13 ILE 41 HD13 ILE 41 0.638 17.035 31.736 148 H CYS 42 H CYS 42 4.580 20.815 31.940 149 HA CYS 42 HA CYS 42 5.499 21.855 34.523 150 HB2 CYS 42 HB2 CYS 42 6.979 20.102 35.014 151 HB3 CYS 42 HB3 CYS 42 5.412 19.337 34.684 152 H ARG 43 H ARG 43 5.408 22.869 31.857 153 HA ARG 43 HA ARG 43 6.756 23.632 30.029 154 HB2 ARG 43 HB2 ARG 43 8.054 24.911 32.446 155 HB3 ARG 43 HB3 ARG 43 7.882 25.582 30.835 156 HG2 ARG 43 HG2 ARG 43 5.754 25.222 32.934 157 HG3 ARG 43 HG3 ARG 43 6.380 26.714 32.247 158 HD2 ARG 43 HD2 ARG 43 4.509 24.707 30.977 159 HD3 ARG 43 HD3 ARG 43 4.185 26.381 31.415 160 HE ARG 43 HE ARG 43 6.287 26.155 29.405 161 HH11 ARG 43 HH12 ARG 43 2.781 26.163 29.735 162 HH12 ARG 43 HH11 ARG 43 2.586 26.187 27.984 163 HH21 ARG 43 HH22 ARG 43 5.854 26.237 27.218 164 HH22 ARG 43 HH21 ARG 43 4.184 26.216 26.687 165 H GLY 44 H GLY 44 8.000 21.081 30.664 166 HA2 GLY 44 HA2 GLY 44 10.928 21.544 30.647 167 HA3 GLY 44 HA3 GLY 44 10.143 19.974 30.471 168 H GLU 45 H GLU 45 12.137 20.785 28.737 169 HA GLU 45 HA GLU 45 10.761 21.523 26.110 170 HB2 GLU 45 HB2 GLU 45 13.707 21.396 26.651 171 HB3 GLU 45 HB3 GLU 45 12.943 21.973 25.195 172 HG2 GLU 45 HG2 GLU 45 12.244 24.012 26.221 173 HG3 GLU 45 HG3 GLU 45 12.655 23.438 27.842 174 H ALA 46 H ALA 46 10.510 19.772 24.813 175 HA ALA 46 HA ALA 46 10.769 17.332 25.075 176 HB1 ALA 46 HB1 ALA 46 11.631 18.665 22.486 177 HB2 ALA 46 HB2 ALA 46 11.224 16.946 22.647 178 HB3 ALA 46 HB3 ALA 46 9.984 18.166 22.953 179 H THR 47 H THR 47 11.899 15.582 25.047 180 HA THR 47 HA THR 47 14.899 15.882 25.093 181 HB THR 47 HB THR 47 15.199 14.355 26.745 182 HG1 THR 47 HG1 THR 47 13.509 13.141 27.643 183 HG21 THR 47 HG21 THR 47 12.641 15.716 27.632 184 HG22 THR 47 HG22 THR 47 13.977 15.131 28.650 185 HG23 THR 47 HG23 THR 47 14.233 16.516 27.562 186 H GLU 48 H GLU 48 15.658 13.340 25.281 187 HA GLU 48 HA GLU 48 15.363 12.408 22.506 188 HB2 GLU 48 HB3 GLU 48 17.522 13.307 23.688 189 HB3 GLU 48 HB2 GLU 48 17.466 11.797 24.601 190 HG2 GLU 48 HG3 GLU 48 17.754 10.533 22.466 191 HG3 GLU 48 HG2 GLU 48 17.606 12.033 21.553 192 H ASP 49 H ASP 49 13.791 11.786 24.969 193 HA ASP 49 HA ASP 49 13.505 8.878 24.711 194 HB2 ASP 49 HB2 ASP 49 15.267 9.109 26.474 195 HB3 ASP 49 HB3 ASP 49 14.166 10.105 27.423 196 H ASN 50 H ASN 50 12.418 11.986 26.012 197 HA ASN 50 HA ASN 50 9.627 11.162 25.864 198 HB2 ASN 50 HB2 ASN 50 10.575 10.783 28.207 199 HB3 ASN 50 HB3 ASN 50 10.995 12.508 28.216 200 HD21 ASN 50 HD22 ASN 50 9.683 13.100 29.847 201 HD22 ASN 50 HD21 ASN 50 7.976 12.892 29.706 202 HA PRO 51 HA PRO 51 10.725 15.116 23.755 203 HB2 PRO 51 HB3 PRO 51 9.310 14.685 21.459 204 HB3 PRO 51 HB2 PRO 51 10.842 13.875 21.826 205 HG2 PRO 51 HG3 PRO 51 8.053 12.791 22.387 206 HG3 PRO 51 HG2 PRO 51 9.371 11.998 21.463 207 HD2 PRO 51 HD3 PRO 51 9.059 11.415 24.010 208 HD3 PRO 51 HD2 PRO 51 10.694 11.653 23.359 209 H LEU 52 H LEU 52 8.017 15.562 22.297 210 HA LEU 52 HA LEU 52 6.103 16.225 24.103 211 HB2 LEU 52 HB2 LEU 52 7.341 18.592 22.681 212 HB3 LEU 52 HB3 LEU 52 5.838 18.618 23.593 213 HG LEU 52 HG LEU 52 8.416 17.757 24.943 214 HD11 LEU 52 HD11 LEU 52 7.317 20.503 24.710 215 HD12 LEU 52 HD12 LEU 52 8.750 19.934 25.643 216 HD13 LEU 52 HD13 LEU 52 8.764 19.766 23.861 217 HD21 LEU 52 HD21 LEU 52 6.489 17.305 26.256 218 HD22 LEU 52 HD22 LEU 52 7.220 18.758 26.925 219 HD23 LEU 52 HD23 LEU 52 5.766 18.911 25.925 220 H PHE 53 H PHE 53 4.183 16.859 23.040 221 HA PHE 53 HA PHE 53 3.832 16.949 20.174 222 HB2 PHE 53 HB2 PHE 53 2.621 14.844 19.892 223 HB3 PHE 53 HB3 PHE 53 4.252 14.485 20.422 224 HD1 PHE 53 HD1 PHE 53 4.662 13.869 22.872 225 HD2 PHE 53 HD2 PHE 53 0.695 14.192 21.203 226 HE1 PHE 53 HE1 PHE 53 3.718 12.880 24.917 227 HE2 PHE 53 HE2 PHE 53 -0.235 13.144 23.243 228 HZ PHE 53 HZ PHE 53 1.251 12.581 25.156 229 H HIS 54 H HIS 54 1.498 17.262 19.708 230 HA HIS 54 HA HIS 54 0.002 18.132 22.062 231 HB2 HIS 54 HB2 HIS 54 -1.170 19.665 20.849 232 HB3 HIS 54 HB3 HIS 54 0.532 19.843 20.450 233 HD1 HIS 54 HD1 HIS 54 -2.813 19.430 18.892 234 HD2 HIS 54 HD2 HIS 54 1.245 18.957 17.865 235 HE1 HIS 54 HE1 HIS 54 -2.709 19.403 16.330 236 HA PRO 55 HA PRO 55 -2.516 14.367 21.253 237 HB2 PRO 55 HB3 PRO 55 -3.906 14.428 23.643 238 HB3 PRO 55 HB2 PRO 55 -2.230 13.999 23.677 239 HG2 PRO 55 HG3 PRO 55 -3.453 16.786 23.933 240 HG3 PRO 55 HG2 PRO 55 -2.530 16.024 25.108 241 HD2 PRO 55 HD3 PRO 55 -1.352 17.679 23.422 242 HD3 PRO 55 HD2 PRO 55 -0.495 16.127 23.645 243 H CYS 56 H CYS 56 -3.338 17.638 21.448 244 HA CYS 56 HA CYS 56 -6.211 17.271 21.083 245 HB2 CYS 56 HB3 CYS 56 -5.425 17.349 23.545 246 HB3 CYS 56 HB2 CYS 56 -5.296 19.100 23.185 247 H LYS 57 H LYS 57 -7.200 19.568 20.837 248 HA LYS 57 HA LYS 57 -5.515 21.452 19.244 249 HB2 LYS 57 HB2 LYS 57 -8.420 20.800 19.365 250 HB3 LYS 57 HB3 LYS 57 -7.688 22.008 18.285 251 HG2 LYS 57 HG2 LYS 57 -6.063 19.745 17.918 252 HG3 LYS 57 HG3 LYS 57 -7.668 19.025 18.095 253 HD2 LYS 57 HD3 LYS 57 -8.489 20.786 16.500 254 HD3 LYS 57 HD2 LYS 57 -6.792 21.231 16.219 255 HE2 LYS 57 HE3 LYS 57 -8.039 18.475 15.687 256 HE3 LYS 57 HE2 LYS 57 -7.833 19.715 14.449 257 HZ1 LYS 57 HZ1 LYS 57 -5.428 19.601 14.809 258 HZ2 LYS 57 HZ2 LYS 57 -5.612 18.424 15.938 259 HZ3 LYS 57 HZ3 LYS 57 -6.011 18.140 14.384 260 H CYS 58 H CYS 58 -5.374 21.636 22.027 261 HA CYS 58 HA CYS 58 -7.045 23.820 23.099 262 HB2 CYS 58 HB2 CYS 58 -4.285 23.286 24.117 263 HB3 CYS 58 HB3 CYS 58 -5.729 23.785 24.983 264 H ARG 59 H ARG 59 -4.054 23.566 21.506 265 HA ARG 59 HA ARG 59 -2.926 24.844 19.934 266 HB2 ARG 59 HB2 ARG 59 -5.437 25.847 19.635 267 HB3 ARG 59 HB3 ARG 59 -4.634 27.281 20.243 268 HG2 ARG 59 HG2 ARG 59 -4.603 27.395 17.877 269 HG3 ARG 59 HG3 ARG 59 -2.947 27.002 18.329 270 HD2 ARG 59 HD3 ARG 59 -3.380 24.603 17.796 271 HD3 ARG 59 HD2 ARG 59 -5.047 24.988 17.384 272 HE ARG 59 HE ARG 59 -2.625 25.511 15.798 273 HH11 ARG 59 HH21 ARG 59 -6.032 26.315 16.060 274 HH12 ARG 59 HH22 ARG 59 -6.116 26.849 14.404 275 HH21 ARG 59 HH12 ARG 59 -2.814 26.215 13.708 276 HH22 ARG 59 HH11 ARG 59 -4.343 26.790 13.117 277 H GLY 60 H GLY 60 -1.882 27.131 19.777 278 HA2 GLY 60 HA2 GLY 60 -0.268 28.616 20.630 279 HA3 GLY 60 HA3 GLY 60 -1.191 28.617 22.128 280 H SER 61 H SER 61 0.396 28.493 23.613 281 HA SER 61 HA SER 61 2.593 26.488 23.411 282 HB2 SER 61 HB2 SER 61 2.214 28.902 25.213 283 HB3 SER 61 HB3 SER 61 3.645 27.851 25.188 284 HG SER 61 HG SER 61 2.640 29.265 22.926 285 H ILE 62 H ILE 62 -0.369 26.058 24.486 286 HA ILE 62 HA ILE 62 0.423 24.375 26.825 287 HB ILE 62 HB ILE 62 -1.828 25.011 27.835 288 HG12 ILE 62 HG12 ILE 62 -2.639 27.357 27.250 289 HG13 ILE 62 HG13 ILE 62 -1.787 27.241 25.737 290 HG21 ILE 62 HG21 ILE 62 0.189 27.270 27.580 291 HG22 ILE 62 HG22 ILE 62 -0.984 27.026 28.886 292 HG23 ILE 62 HG23 ILE 62 0.319 25.858 28.664 293 HD11 ILE 62 HD11 ILE 62 -3.229 25.349 25.058 294 HD12 ILE 62 HD12 ILE 62 -3.994 25.339 26.665 295 HD13 ILE 62 HD13 ILE 62 -4.217 26.720 25.571 296 H LYS 63 H LYS 63 0.314 23.714 24.340 297 HA LYS 63 HA LYS 63 -1.940 21.760 24.010 298 HB2 LYS 63 HB2 LYS 63 -1.782 21.703 21.666 299 HB3 LYS 63 HB3 LYS 63 -1.890 23.394 22.124 300 HG2 LYS 63 HG3 LYS 63 0.509 23.696 21.741 301 HG3 LYS 63 HG2 LYS 63 0.713 21.990 21.386 302 HD2 LYS 63 HD2 LYS 63 -0.752 22.151 19.432 303 HD3 LYS 63 HD3 LYS 63 -0.981 23.881 19.712 304 HE2 LYS 63 HE2 LYS 63 1.784 22.658 19.410 305 HE3 LYS 63 HE3 LYS 63 0.820 23.079 17.993 306 HZ1 LYS 63 HZ1 LYS 63 1.481 25.062 20.121 307 HZ2 LYS 63 HZ2 LYS 63 2.328 24.897 18.718 308 HZ3 LYS 63 HZ3 LYS 63 0.771 25.362 18.685 309 H TYR 64 H TYR 64 1.514 22.291 23.644 310 HA TYR 64 HA TYR 64 2.326 19.623 23.258 311 HB2 TYR 64 HB2 TYR 64 3.678 22.091 24.369 312 HB3 TYR 64 HB3 TYR 64 4.530 20.558 24.289 313 HD1 TYR 64 HD1 TYR 64 4.429 19.259 22.027 314 HD2 TYR 64 HD2 TYR 64 3.771 23.503 22.402 315 HE1 TYR 64 HE1 TYR 64 5.067 19.541 19.664 316 HE2 TYR 64 HE2 TYR 64 4.370 23.791 20.002 317 HH TYR 64 HH TYR 64 5.023 22.755 18.046 318 H MET 65 H MET 65 3.477 18.339 24.636 319 HA MET 65 HA MET 65 3.388 18.361 27.485 320 HB2 MET 65 HB2 MET 65 0.879 17.683 26.414 321 HB3 MET 65 HB3 MET 65 1.596 16.109 26.723 322 HG2 MET 65 HG3 MET 65 2.153 16.878 29.042 323 HG3 MET 65 HG2 MET 65 1.319 18.394 28.703 324 HE1 MET 65 HE1 MET 65 -1.266 18.414 27.904 325 HE2 MET 65 HE2 MET 65 -1.287 16.954 26.900 326 HE3 MET 65 HE3 MET 65 -2.409 17.092 28.276 327 H HIS 66 H HIS 66 4.557 16.727 28.475 328 HA HIS 66 HA HIS 66 6.185 14.918 26.823 329 HB2 HIS 66 HB2 HIS 66 5.767 14.893 29.809 330 HB3 HIS 66 HB3 HIS 66 7.009 14.147 28.855 331 HD2 HIS 66 HD2 HIS 66 8.667 16.086 27.419 332 HE1 HIS 66 HE1 HIS 66 8.158 19.015 30.417 333 HE2 HIS 66 HE2 HIS 66 9.646 18.247 28.481 334 H GLU 67 H GLU 67 6.031 12.534 26.881 335 HA GLU 67 HA GLU 67 3.337 11.530 26.633 336 HB2 GLU 67 HB2 GLU 67 5.391 10.583 25.524 337 HB3 GLU 67 HB3 GLU 67 5.898 9.940 27.094 338 HG2 GLU 67 HG2 GLU 67 3.815 8.590 27.209 339 HG3 GLU 67 HG3 GLU 67 3.287 9.266 25.666 340 H SER 68 H SER 68 5.664 11.508 29.296 341 HA SER 68 HA SER 68 4.182 9.910 31.161 342 HB2 SER 68 HB2 SER 68 5.689 11.184 32.796 343 HB3 SER 68 HB3 SER 68 6.537 10.297 31.507 344 HG SER 68 HG SER 68 7.244 12.521 31.941 345 H CYS 69 H CYS 69 4.531 13.496 30.901 346 HA CYS 69 HA CYS 69 2.724 14.284 32.880 347 HB2 CYS 69 HB2 CYS 69 3.586 15.584 30.267 348 HB3 CYS 69 HB3 CYS 69 2.532 16.373 31.432 349 H LEU 70 H LEU 70 1.951 13.458 29.452 350 HA LEU 70 HA LEU 70 -0.858 14.111 29.737 351 HB2 LEU 70 HB2 LEU 70 0.217 13.852 27.505 352 HB3 LEU 70 HB3 LEU 70 0.490 12.136 27.828 353 HG LEU 70 HG LEU 70 -1.984 11.787 27.860 354 HD11 LEU 70 HD11 LEU 70 -2.022 14.772 27.275 355 HD12 LEU 70 HD12 LEU 70 -3.429 13.713 27.144 356 HD13 LEU 70 HD13 LEU 70 -2.715 13.986 28.723 357 HD21 LEU 70 HD21 LEU 70 -2.377 12.286 25.482 358 HD22 LEU 70 HD22 LEU 70 -1.034 13.451 25.499 359 HD23 LEU 70 HD23 LEU 70 -0.712 11.716 25.730 360 H LEU 71 H LEU 71 0.922 11.057 30.113 361 HA LEU 71 HA LEU 71 -1.302 9.414 30.640 362 HB2 LEU 71 HB2 LEU 71 1.657 9.317 30.913 363 HB3 LEU 71 HB3 LEU 71 0.849 8.314 32.077 364 HG LEU 71 HG LEU 71 -0.213 6.988 30.382 365 HD11 LEU 71 HD11 LEU 71 0.170 7.294 27.969 366 HD12 LEU 71 HD12 LEU 71 -0.732 8.658 28.633 367 HD13 LEU 71 HD13 LEU 71 0.998 8.830 28.278 368 HD21 LEU 71 HD21 LEU 71 2.708 7.582 29.713 369 HD22 LEU 71 HD22 LEU 71 2.117 6.472 30.967 370 HD23 LEU 71 HD23 LEU 71 1.827 6.097 29.260 371 H GLU 72 H GLU 72 0.330 11.663 32.746 372 HA GLU 72 HA GLU 72 -0.975 10.687 35.233 373 HB2 GLU 72 HB2 GLU 72 0.834 13.070 34.645 374 HB3 GLU 72 HB3 GLU 72 0.216 12.648 36.239 375 HG2 GLU 72 HG3 GLU 72 1.987 10.823 34.553 376 HG3 GLU 72 HG2 GLU 72 2.585 11.936 35.770 377 H TRP 73 H TRP 73 -1.383 13.168 32.768 378 HA TRP 73 HA TRP 73 -3.132 14.919 34.237 379 HB2 TRP 73 HB3 TRP 73 -1.759 15.220 32.057 380 HB3 TRP 73 HB2 TRP 73 -3.071 14.531 31.230 381 HD1 TRP 73 HD1 TRP 73 -2.868 17.476 33.727 382 HE1 TRP 73 HE1 TRP 73 -4.541 19.214 32.918 383 HE3 TRP 73 HE3 TRP 73 -4.625 15.019 29.646 384 HZ2 TRP 73 HZ2 TRP 73 -6.511 19.503 30.777 385 HZ3 TRP 73 HZ3 TRP 73 -6.537 15.943 28.340 386 HH2 TRP 73 HH2 TRP 73 -7.462 18.198 28.872 387 H VAL 74 H VAL 74 -3.788 12.617 31.585 388 HA VAL 74 HA VAL 74 -6.643 12.547 31.807 389 HB VAL 74 HB VAL 74 -6.509 10.427 30.568 390 HG11 VAL 74 HG11 VAL 74 -4.435 12.369 29.485 391 HG12 VAL 74 HG12 VAL 74 -5.382 11.176 28.572 392 HG13 VAL 74 HG13 VAL 74 -6.198 12.558 29.330 393 HG21 VAL 74 HG21 VAL 74 -4.161 9.591 29.898 394 HG22 VAL 74 HG22 VAL 74 -3.567 10.510 31.292 395 HG23 VAL 74 HG23 VAL 74 -4.725 9.203 31.532 396 H ALA 75 H ALA 75 -4.202 11.217 33.808 397 HA ALA 75 HA ALA 75 -5.940 9.126 35.003 398 HB1 ALA 75 HB1 ALA 75 -3.283 10.240 35.990 399 HB2 ALA 75 HB2 ALA 75 -4.140 8.834 36.639 400 HB3 ALA 75 HB3 ALA 75 -3.515 8.793 34.983 401 H SER 76 H SER 76 -4.836 12.421 35.870 402 HA SER 76 HA SER 76 -6.230 12.672 38.365 403 HB2 SER 76 HB2 SER 76 -5.396 14.835 36.387 404 HB3 SER 76 HB3 SER 76 -5.898 15.088 38.064 405 HG SER 76 HG SER 76 -3.605 13.655 37.142 406 H LYS 77 H LYS 77 -7.332 13.018 35.008 407 HA LYS 77 HA LYS 77 -9.871 14.282 35.523 408 HB2 LYS 77 HB3 LYS 77 -8.845 12.524 33.232 409 HB3 LYS 77 HB2 LYS 77 -10.239 13.562 33.199 410 HG2 LYS 77 HG2 LYS 77 -7.392 14.444 33.318 411 HG3 LYS 77 HG3 LYS 77 -8.483 14.580 31.947 412 HD2 LYS 77 HD3 LYS 77 -9.908 16.130 33.317 413 HD3 LYS 77 HD2 LYS 77 -8.682 16.044 34.609 414 HE2 LYS 77 HE2 LYS 77 -6.971 16.918 33.056 415 HE3 LYS 77 HE3 LYS 77 -8.180 17.025 31.770 416 HZ1 LYS 77 HZ1 LYS 77 -7.898 19.167 32.894 417 HZ2 LYS 77 HZ2 LYS 77 -9.412 18.618 33.160 418 HZ3 LYS 77 HZ3 LYS 77 -8.286 18.523 34.341 419 H ASN 78 H ASN 78 -8.863 11.257 36.512 420 HA ASN 78 HA ASN 78 -9.950 9.413 37.268 421 HB2 ASN 78 HB3 ASN 78 -11.020 10.842 38.733 422 HB3 ASN 78 HB2 ASN 78 -12.023 11.589 37.531 423 HD21 ASN 78 HD22 ASN 78 -14.045 11.059 37.470 424 HD22 ASN 78 HD21 ASN 78 -14.752 9.585 38.133 425 H ILE 79 H ILE 79 -9.380 9.037 34.803 426 HA ILE 79 HA ILE 79 -11.722 7.603 33.661 427 HB ILE 79 HB ILE 79 -9.892 9.088 31.777 428 HG12 ILE 79 HG12 ILE 79 -12.228 10.379 33.250 429 HG13 ILE 79 HG13 ILE 79 -10.549 10.894 33.142 430 HG21 ILE 79 HG21 ILE 79 -11.838 8.873 30.291 431 HG22 ILE 79 HG22 ILE 79 -11.440 7.308 30.985 432 HG23 ILE 79 HG23 ILE 79 -12.819 8.234 31.625 433 HD11 ILE 79 HD11 ILE 79 -12.523 10.988 30.851 434 HD12 ILE 79 HD12 ILE 79 -11.859 12.344 31.772 435 HD13 ILE 79 HD13 ILE 79 -10.782 11.381 30.746 436 H ASP 80 H ASP 80 -11.257 5.603 32.948 437 HA ASP 80 HA ASP 80 -8.472 4.642 33.136 438 HB2 ASP 80 HB3 ASP 80 -10.364 3.429 34.200 439 HB3 ASP 80 HB2 ASP 80 -11.003 3.048 32.605 440 H ILE 81 H ILE 81 -7.370 5.330 31.398 441 HA ILE 81 HA ILE 81 -8.316 5.445 28.701 442 HB ILE 81 HB ILE 81 -6.012 5.852 28.080 443 HG12 ILE 81 HG12 ILE 81 -5.229 5.221 30.964 444 HG13 ILE 81 HG13 ILE 81 -4.865 4.213 29.559 445 HG21 ILE 81 HG21 ILE 81 -6.572 7.326 30.674 446 HG22 ILE 81 HG22 ILE 81 -5.797 7.930 29.191 447 HG23 ILE 81 HG23 ILE 81 -7.526 7.561 29.200 448 HD11 ILE 81 HD11 ILE 81 -3.808 7.019 30.077 449 HD12 ILE 81 HD12 ILE 81 -2.903 5.498 30.100 450 HD13 ILE 81 HD13 ILE 81 -3.560 6.109 28.567 451 H SER 82 H SER 82 -7.521 2.707 30.523 452 HA SER 82 HA SER 82 -6.585 1.135 28.214 453 HB2 SER 82 HB3 SER 82 -5.597 1.113 30.604 454 HB3 SER 82 HB2 SER 82 -7.012 0.147 31.046 455 HG SER 82 HG SER 82 -5.178 -1.130 30.438 456 H LYS 83 H LYS 83 -9.587 2.113 29.127 457 HA LYS 83 HA LYS 83 -10.902 -0.508 28.519 458 HB2 LYS 83 HB2 LYS 83 -11.854 1.842 30.192 459 HB3 LYS 83 HB3 LYS 83 -12.843 0.441 29.818 460 HG2 LYS 83 HG3 LYS 83 -10.176 0.291 31.277 461 HG3 LYS 83 HG2 LYS 83 -11.737 0.468 32.081 462 HD2 LYS 83 HD2 LYS 83 -12.453 -1.705 31.445 463 HD3 LYS 83 HD3 LYS 83 -11.166 -1.881 30.248 464 HE2 LYS 83 HE3 LYS 83 -10.732 -3.202 32.295 465 HE3 LYS 83 HE2 LYS 83 -9.458 -2.041 31.919 466 HZ1 LYS 83 HZ1 LYS 83 -10.266 -0.585 33.640 467 HZ2 LYS 83 HZ2 LYS 83 -11.574 -1.543 33.942 468 HZ3 LYS 83 HZ3 LYS 83 -10.066 -2.064 34.293 469 HA PRO 84 HA PRO 84 -12.927 1.616 25.139 470 HB2 PRO 84 HB3 PRO 84 -14.403 -0.404 24.114 471 HB3 PRO 84 HB2 PRO 84 -12.625 -0.530 24.236 472 HG2 PRO 84 HG3 PRO 84 -14.704 -1.619 26.181 473 HG3 PRO 84 HG2 PRO 84 -13.337 -2.504 25.431 474 HD2 PRO 84 HD3 PRO 84 -13.246 -1.278 27.940 475 HD3 PRO 84 HD2 PRO 84 -11.811 -1.575 26.922 476 H GLY 85 H GLY 85 -14.043 1.706 27.898 477 HA2 GLY 85 HA2 GLY 85 -16.927 2.343 27.351 478 HA3 GLY 85 HA3 GLY 85 -16.315 1.759 28.905 479 H ALA 86 H ALA 86 -14.383 3.997 27.067 480 HA ALA 86 HA ALA 86 -15.189 6.316 28.780 481 HB1 ALA 86 HB1 ALA 86 -12.770 6.805 29.030 482 HB2 ALA 86 HB2 ALA 86 -13.194 5.229 29.724 483 HB3 ALA 86 HB3 ALA 86 -12.375 5.318 28.148 484 H ASP 87 H ASP 87 -14.330 8.368 28.014 485 HA ASP 87 HA ASP 87 -13.926 8.669 25.084 486 HB2 ASP 87 HB2 ASP 87 -16.370 8.878 25.627 487 HB3 ASP 87 HB3 ASP 87 -15.988 10.217 26.709 488 H VAL 88 H VAL 88 -12.066 8.719 27.166 489 HA VAL 88 HA VAL 88 -11.311 10.970 28.472 490 HB VAL 88 HB VAL 88 -10.024 9.024 28.748 491 HG11 VAL 88 HG11 VAL 88 -8.523 8.028 27.121 492 HG12 VAL 88 HG12 VAL 88 -10.185 7.970 26.546 493 HG13 VAL 88 HG13 VAL 88 -9.056 9.174 25.879 494 HG21 VAL 88 HG21 VAL 88 -8.805 11.140 29.112 495 HG22 VAL 88 HG22 VAL 88 -7.759 9.778 28.691 496 HG23 VAL 88 HG23 VAL 88 -8.118 10.999 27.474 497 H LYS 89 H LYS 89 -11.517 12.925 28.030 498 HA LYS 89 HA LYS 89 -9.670 14.066 26.171 499 HB2 LYS 89 HB3 LYS 89 -10.975 14.877 24.639 500 HB3 LYS 89 HB2 LYS 89 -11.619 13.276 24.758 501 HG2 LYS 89 HG2 LYS 89 -13.496 14.512 26.132 502 HG3 LYS 89 HG3 LYS 89 -12.800 15.934 25.272 503 HD2 LYS 89 HD3 LYS 89 -12.976 14.719 23.137 504 HD3 LYS 89 HD2 LYS 89 -13.728 13.339 23.931 505 HE2 LYS 89 HE2 LYS 89 -14.890 16.136 23.697 506 HE3 LYS 89 HE3 LYS 89 -15.212 14.778 22.613 507 HZ1 LYS 89 HZ1 LYS 89 -16.098 13.533 24.548 508 HZ2 LYS 89 HZ2 LYS 89 -15.860 14.824 25.522 509 HZ3 LYS 89 HZ3 LYS 89 -16.949 14.911 24.307 510 H CYS 90 H CYS 90 -10.029 16.346 25.746 511 HA CYS 90 HA CYS 90 -9.407 17.771 28.036 512 HB2 CYS 90 HB2 CYS 90 -8.498 17.964 25.822 513 HB3 CYS 90 HB3 CYS 90 -10.041 18.511 25.162 514 H ASP 91 H ASP 91 -10.167 19.992 28.359 515 HA ASP 91 HA ASP 91 -13.131 20.391 28.543 516 HB2 ASP 91 HB2 ASP 91 -12.038 19.643 30.707 517 HB3 ASP 91 HB3 ASP 91 -11.079 21.106 30.679 518 H ILE 92 H ILE 92 -9.995 21.679 27.785 519 HA ILE 92 HA ILE 92 -10.698 24.475 28.028 520 HB ILE 92 HB ILE 92 -8.406 23.155 26.484 521 HG12 ILE 92 HG12 ILE 92 -8.372 24.266 29.326 522 HG13 ILE 92 HG13 ILE 92 -8.335 22.555 28.891 523 HG21 ILE 92 HG21 ILE 92 -8.838 25.437 25.713 524 HG22 ILE 92 HG22 ILE 92 -8.735 26.039 27.386 525 HG23 ILE 92 HG23 ILE 92 -7.309 25.360 26.567 526 HD11 ILE 92 HD11 ILE 92 -6.104 23.194 29.426 527 HD12 ILE 92 HD12 ILE 92 -6.176 22.921 27.674 528 HD13 ILE 92 HD13 ILE 92 -6.145 24.580 28.329 529 H CYS 93 H CYS 93 -10.013 22.232 25.397 530 HA CYS 93 HA CYS 93 -11.509 23.846 23.374 531 HB2 CYS 93 HB3 CYS 93 -9.840 23.256 21.826 532 HB3 CYS 93 HB2 CYS 93 -8.963 23.568 23.296 533 H HIS 94 H HIS 94 -11.560 21.025 25.201 534 HA HIS 94 HA HIS 94 -12.552 19.076 25.259 535 HB2 HIS 94 HB3 HIS 94 -14.840 18.939 24.829 536 HB3 HIS 94 HB2 HIS 94 -14.478 20.573 25.350 537 HD1 HIS 94 HD1 HIS 94 -14.961 18.786 21.922 538 HD2 HIS 94 HD2 HIS 94 -15.709 22.393 23.947 539 HE1 HIS 94 HE1 HIS 94 -16.325 20.240 20.313 540 H TYR 95 H TYR 95 -10.622 19.311 22.978 541 HA TYR 95 HA TYR 95 -11.693 17.463 21.015 542 HB2 TYR 95 HB2 TYR 95 -9.006 18.780 21.342 543 HB3 TYR 95 HB3 TYR 95 -9.099 17.306 20.456 544 HD1 TYR 95 HD1 TYR 95 -10.866 20.560 20.905 545 HD2 TYR 95 HD2 TYR 95 -9.750 17.494 18.129 546 HE1 TYR 95 HE1 TYR 95 -11.834 21.929 19.138 547 HE2 TYR 95 HE2 TYR 95 -10.775 18.847 16.263 548 HH TYR 95 HH TYR 95 -12.280 22.052 16.841 549 HA PRO 96 HA PRO 96 -10.743 13.673 23.096 550 HB2 PRO 96 HB3 PRO 96 -10.305 12.464 20.410 551 HB3 PRO 96 HB2 PRO 96 -11.376 11.969 21.774 552 HG2 PRO 96 HG3 PRO 96 -12.339 13.249 19.515 553 HG3 PRO 96 HG2 PRO 96 -13.020 13.502 21.163 554 HD2 PRO 96 HD3 PRO 96 -11.115 15.222 19.676 555 HD3 PRO 96 HD2 PRO 96 -12.559 15.676 20.619 556 H ILE 97 H ILE 97 -9.051 13.199 24.053 557 HA ILE 97 HA ILE 97 -6.436 14.135 23.275 558 HB ILE 97 HB ILE 97 -7.487 12.529 25.573 559 HG12 ILE 97 HG12 ILE 97 -7.977 15.036 25.301 560 HG13 ILE 97 HG13 ILE 97 -7.334 14.501 26.849 561 HG21 ILE 97 HG21 ILE 97 -5.315 11.642 25.370 562 HG22 ILE 97 HG22 ILE 97 -4.602 13.261 25.276 563 HG23 ILE 97 HG23 ILE 97 -5.406 12.719 26.761 564 HD11 ILE 97 HD11 ILE 97 -5.168 15.455 26.292 565 HD12 ILE 97 HD12 ILE 97 -5.686 15.673 24.606 566 HD13 ILE 97 HD13 ILE 97 -6.430 16.651 25.887 567 H GLN 98 H GLN 98 -4.725 13.131 22.521 568 HA GLN 98 HA GLN 98 -4.985 10.256 21.645 569 HB2 GLN 98 HB2 GLN 98 -3.926 12.700 20.188 570 HB3 GLN 98 HB3 GLN 98 -3.669 11.050 19.617 571 HG2 GLN 98 HG2 GLN 98 -5.894 10.730 19.029 572 HG3 GLN 98 HG3 GLN 98 -6.514 11.866 20.210 573 HE21 GLN 98 HE22 GLN 98 -7.001 13.946 19.584 574 HE22 GLN 98 HE21 GLN 98 -6.598 14.582 17.986 575 H PHE 99 H PHE 99 -3.525 8.919 22.377 576 HA PHE 99 HA PHE 99 -0.758 9.795 22.942 577 HB2 PHE 99 HB2 PHE 99 -1.074 8.108 24.919 578 HB3 PHE 99 HB3 PHE 99 -1.610 9.764 25.053 579 HD1 PHE 99 HD2 PHE 99 -3.015 6.432 23.932 580 HD2 PHE 99 HD1 PHE 99 -3.639 10.094 26.127 581 HE1 PHE 99 HE2 PHE 99 -5.282 5.658 24.593 582 HE2 PHE 99 HE1 PHE 99 -5.910 9.314 26.780 583 HZ PHE 99 HZ PHE 99 -6.726 7.105 26.008 584 H LYS 100 H LYS 100 -2.263 8.181 20.874 585 HA LYS 100 HA LYS 100 -0.116 6.304 20.233 586 HB2 LYS 100 HB2 LYS 100 -1.484 5.071 21.895 587 HB3 LYS 100 HB3 LYS 100 -2.883 5.175 20.820 588 HG2 LYS 100 HG2 LYS 100 -1.886 3.728 19.208 589 HG3 LYS 100 HG3 LYS 100 -0.250 4.041 19.808 590 HD2 LYS 100 HD2 LYS 100 -0.881 1.808 20.417 591 HD3 LYS 100 HD3 LYS 100 -0.710 2.816 21.863 592 HE2 LYS 100 HE2 LYS 100 -3.184 3.069 21.979 593 HE3 LYS 100 HE3 LYS 100 -3.357 2.106 20.505 594 HZ1 LYS 100 HZ1 LYS 100 -3.699 0.752 22.492 595 HZ2 LYS 100 HZ2 LYS 100 -2.377 0.221 21.700 596 HZ3 LYS 100 HZ3 LYS 100 -2.212 1.109 23.062 597 H THR 101 H THR 101 -0.229 5.569 18.066 598 HA THR 101 HA THR 101 -2.436 6.262 16.282 599 HB THR 101 HB THR 101 -1.254 8.392 16.441 600 HG1 THR 101 HG1 THR 101 -1.111 8.678 14.236 601 HG21 THR 101 HG21 THR 101 1.144 7.041 15.138 602 HG22 THR 101 HG22 THR 101 0.942 8.766 15.500 603 HG23 THR 101 HG23 THR 101 1.081 7.603 16.824 Start of MODEL 2 1 H1 VAL 19 H1 VAL 19 -0.710 37.771 -8.945 2 H2 VAL 19 H2 VAL 19 0.120 38.084 -10.325 3 H3 VAL 19 H3 VAL 19 -0.542 39.308 -9.475 4 HA VAL 19 HA VAL 19 0.920 38.970 -7.636 5 HB VAL 19 HB VAL 19 1.101 36.541 -7.883 6 HG11 VAL 19 HG11 VAL 19 1.573 36.304 -10.307 7 HG12 VAL 19 HG12 VAL 19 3.176 37.038 -10.063 8 HG13 VAL 19 HG13 VAL 19 2.775 35.488 -9.307 9 HG21 VAL 19 HG21 VAL 19 3.334 36.298 -7.041 10 HG22 VAL 19 HG22 VAL 19 3.852 37.826 -7.762 11 HG23 VAL 19 HG23 VAL 19 2.667 37.816 -6.428 12 H ALA 20 H ALA 20 2.673 40.332 -7.485 13 HA ALA 20 HA ALA 20 4.089 41.185 -9.957 14 HB1 ALA 20 HB1 ALA 20 2.055 42.596 -9.713 15 HB2 ALA 20 HB2 ALA 20 2.577 43.055 -8.074 16 HB3 ALA 20 HB3 ALA 20 3.537 43.538 -9.490 17 H ASN 21 H ASN 21 4.922 39.662 -7.541 18 HA ASN 21 HA ASN 21 7.314 41.217 -6.807 19 HB2 ASN 21 HB2 ASN 21 5.382 40.037 -4.744 20 HB3 ASN 21 HB3 ASN 21 6.973 40.692 -4.382 21 HD21 ASN 21 HD22 ASN 21 7.321 43.056 -4.835 22 HD22 ASN 21 HD21 ASN 21 5.923 44.106 -4.666 23 H GLU 22 H GLU 22 9.038 39.909 -6.089 24 HA GLU 22 HA GLU 22 8.689 36.946 -6.091 25 HB2 GLU 22 HB2 GLU 22 10.556 36.630 -7.578 26 HB3 GLU 22 HB3 GLU 22 9.321 37.614 -8.356 27 HG2 GLU 22 HG2 GLU 22 10.637 39.669 -7.844 28 HG3 GLU 22 HG3 GLU 22 11.878 38.678 -7.077 29 H GLU 23 H GLU 23 9.815 39.524 -4.398 30 HA GLU 23 HA GLU 23 11.892 37.935 -2.923 31 HB2 GLU 23 HB2 GLU 23 12.594 39.947 -4.336 32 HB3 GLU 23 HB3 GLU 23 11.767 40.960 -3.152 33 HG2 GLU 23 HG3 GLU 23 13.315 40.166 -1.391 34 HG3 GLU 23 HG2 GLU 23 14.024 39.002 -2.512 35 H THR 24 H THR 24 8.748 38.923 -2.589 36 HA THR 24 HA THR 24 8.765 39.910 0.138 37 HB THR 24 HB THR 24 6.227 39.515 -0.118 38 HG1 THR 24 HG1 THR 24 5.517 39.059 -2.147 39 HG21 THR 24 HG21 THR 24 5.956 41.425 -1.663 40 HG22 THR 24 HG22 THR 24 7.237 41.717 -0.475 41 HG23 THR 24 HG23 THR 24 7.664 41.285 -2.143 42 H ASP 25 H ASP 25 9.189 36.817 -1.010 43 HA ASP 25 HA ASP 25 9.429 34.844 -0.093 44 HB2 ASP 25 HB2 ASP 25 10.055 36.315 1.992 45 HB3 ASP 25 HB3 ASP 25 8.561 35.660 2.662 46 H THR 26 H THR 26 8.320 32.948 0.569 47 HA THR 26 HA THR 26 5.332 33.024 0.582 48 HB THR 26 HB THR 26 5.311 31.219 -1.134 49 HG1 THR 26 HG1 THR 26 7.181 30.874 -2.337 50 HG21 THR 26 HG21 THR 26 5.674 32.578 -3.088 51 HG22 THR 26 HG22 THR 26 4.971 33.592 -1.818 52 HG23 THR 26 HG23 THR 26 6.705 33.709 -2.190 53 H ALA 27 H ALA 27 7.713 32.184 2.476 54 HA ALA 27 HA ALA 27 6.358 29.811 3.557 55 HB1 ALA 27 HB1 ALA 27 8.055 28.871 2.005 56 HB2 ALA 27 HB2 ALA 27 9.325 29.813 2.819 57 HB3 ALA 27 HB3 ALA 27 8.466 28.524 3.693 58 H THR 28 H THR 28 7.163 29.282 5.763 59 HA THR 28 HA THR 28 7.951 31.727 7.271 60 HB THR 28 HB THR 28 6.833 30.587 9.164 61 HG1 THR 28 HG1 THR 28 5.641 28.706 8.694 62 HG21 THR 28 HG21 THR 28 5.547 32.066 7.601 63 HG22 THR 28 HG22 THR 28 5.086 30.626 6.669 64 HG23 THR 28 HG23 THR 28 4.544 30.808 8.356 65 H PHE 29 H PHE 29 9.430 29.196 6.156 66 HA PHE 29 HA PHE 29 11.228 27.816 6.664 67 HB2 PHE 29 HB3 PHE 29 12.158 30.067 6.393 68 HB3 PHE 29 HB2 PHE 29 12.147 30.287 8.139 69 HD1 PHE 29 HD1 PHE 29 13.466 28.001 5.444 70 HD2 PHE 29 HD2 PHE 29 14.091 29.667 9.373 71 HE1 PHE 29 HE1 PHE 29 15.712 26.945 5.537 72 HE2 PHE 29 HE2 PHE 29 16.339 28.614 9.460 73 HZ PHE 29 HZ PHE 29 17.151 27.248 7.545 74 H ASN 30 H ASN 30 9.472 26.776 7.914 75 HA ASN 30 HA ASN 30 9.758 26.588 10.835 76 HB2 ASN 30 HB2 ASN 30 7.772 25.241 10.722 77 HB3 ASN 30 HB3 ASN 30 7.541 26.584 9.624 78 HD21 ASN 30 HD22 ASN 30 7.695 23.093 9.883 79 HD22 ASN 30 HD21 ASN 30 7.436 22.802 8.170 80 H ASP 31 H ASP 31 9.353 24.089 11.492 81 HA ASP 31 HA ASP 31 11.206 22.185 10.238 82 HB2 ASP 31 HB3 ASP 31 12.374 23.639 12.104 83 HB3 ASP 31 HB2 ASP 31 11.412 22.677 13.217 84 H ASP 32 H ASP 32 10.908 20.105 12.013 85 HA ASP 32 HA ASP 32 8.108 19.373 11.697 86 HB2 ASP 32 HB3 ASP 32 9.981 17.745 11.483 87 HB3 ASP 32 HB2 ASP 32 10.347 17.969 13.194 88 H ALA 33 H ALA 33 10.096 20.255 14.216 89 HA ALA 33 HA ALA 33 7.852 20.953 16.049 90 HB1 ALA 33 HB1 ALA 33 10.405 19.508 16.848 91 HB2 ALA 33 HB2 ALA 33 9.159 20.084 17.964 92 HB3 ALA 33 HB3 ALA 33 8.765 18.803 16.788 93 HA PRO 34 HA PRO 34 9.815 24.935 16.749 94 HB2 PRO 34 HB3 PRO 34 8.945 24.383 19.588 95 HB3 PRO 34 HB2 PRO 34 8.698 25.869 18.620 96 HG2 PRO 34 HG3 PRO 34 6.666 24.091 19.018 97 HG3 PRO 34 HG2 PRO 34 6.896 24.885 17.489 98 HD2 PRO 34 HD3 PRO 34 7.663 22.052 18.224 99 HD3 PRO 34 HD2 PRO 34 7.019 22.724 16.701 100 H SER 35 H SER 35 11.331 25.986 18.108 101 HA SER 35 HA SER 35 13.392 24.294 19.477 102 HB2 SER 35 HB2 SER 35 13.644 27.100 18.326 103 HB3 SER 35 HB3 SER 35 14.937 26.162 19.100 104 HG SER 35 HG SER 35 15.007 26.006 16.809 105 H GLY 36 H GLY 36 10.758 25.408 20.447 106 HA2 GLY 36 HA2 GLY 36 11.563 26.300 23.113 107 HA3 GLY 36 HA3 GLY 36 10.738 27.543 22.166 108 H ALA 37 H ALA 37 9.971 24.111 21.936 109 HA ALA 37 HA ALA 37 7.206 24.620 23.016 110 HB1 ALA 37 HB1 ALA 37 8.344 22.293 21.419 111 HB2 ALA 37 HB2 ALA 37 6.723 22.317 22.146 112 HB3 ALA 37 HB3 ALA 37 7.148 23.513 20.913 113 H THR 38 H THR 38 6.723 24.012 25.095 114 HA THR 38 HA THR 38 8.251 21.869 26.442 115 HB THR 38 HB THR 38 8.205 23.253 28.473 116 HG1 THR 38 HG1 THR 38 7.966 25.617 27.893 117 HG21 THR 38 HG21 THR 38 9.590 24.784 26.244 118 HG22 THR 38 HG22 THR 38 10.052 24.667 27.966 119 HG23 THR 38 HG23 THR 38 10.170 23.254 26.911 120 H CYS 39 H CYS 39 7.172 20.733 27.958 121 HA CYS 39 HA CYS 39 4.469 20.142 27.753 122 HB2 CYS 39 HB3 CYS 39 6.028 18.712 28.834 123 HB3 CYS 39 HB2 CYS 39 6.489 19.837 30.013 124 H ARG 40 H ARG 40 2.534 21.144 28.307 125 HA ARG 40 HA ARG 40 2.519 23.629 29.812 126 HB2 ARG 40 HB2 ARG 40 0.297 23.753 29.253 127 HB3 ARG 40 HB3 ARG 40 1.084 22.983 27.888 128 HG2 ARG 40 HG2 ARG 40 -0.322 21.255 28.015 129 HG3 ARG 40 HG3 ARG 40 0.308 20.829 29.578 130 HD2 ARG 40 HD3 ARG 40 -2.083 22.584 28.948 131 HD3 ARG 40 HD2 ARG 40 -1.958 21.031 29.803 132 HE ARG 40 HE ARG 40 -0.489 22.946 31.268 133 HH11 ARG 40 HH22 ARG 40 -3.843 22.153 30.660 134 HH12 ARG 40 HH21 ARG 40 -4.359 22.823 32.186 135 HH21 ARG 40 HH12 ARG 40 -1.181 23.742 33.158 136 HH22 ARG 40 HH11 ARG 40 -2.872 23.705 33.577 137 H ILE 41 H ILE 41 2.936 20.558 30.941 138 HA ILE 41 HA ILE 41 1.406 21.029 33.478 139 HB ILE 41 HB ILE 41 2.600 18.477 32.382 140 HG12 ILE 41 HG12 ILE 41 -0.322 19.264 32.795 141 HG13 ILE 41 HG13 ILE 41 0.487 19.344 31.239 142 HG21 ILE 41 HG21 ILE 41 1.528 17.352 34.298 143 HG22 ILE 41 HG22 ILE 41 2.676 18.534 34.870 144 HG23 ILE 41 HG23 ILE 41 0.937 18.918 34.897 145 HD11 ILE 41 HD11 ILE 41 0.751 16.989 31.083 146 HD12 ILE 41 HD12 ILE 41 0.202 16.727 32.752 147 HD13 ILE 41 HD13 ILE 41 -0.925 17.330 31.545 148 H CYS 42 H CYS 42 4.791 20.189 32.251 149 HA CYS 42 HA CYS 42 5.666 21.276 34.939 150 HB2 CYS 42 HB3 CYS 42 7.326 19.605 35.132 151 HB3 CYS 42 HB2 CYS 42 5.765 18.822 34.885 152 H ARG 43 H ARG 43 5.845 21.957 31.714 153 HA ARG 43 HA ARG 43 7.018 23.318 30.454 154 HB2 ARG 43 HB3 ARG 43 7.633 24.614 33.116 155 HB3 ARG 43 HB2 ARG 43 8.220 25.302 31.608 156 HG2 ARG 43 HG3 ARG 43 5.276 24.732 32.147 157 HG3 ARG 43 HG2 ARG 43 6.070 26.297 32.383 158 HD2 ARG 43 HD2 ARG 43 6.705 26.365 29.993 159 HD3 ARG 43 HD3 ARG 43 5.924 24.797 29.736 160 HE ARG 43 HE ARG 43 4.143 26.834 30.818 161 HH11 ARG 43 HH12 ARG 43 5.408 25.411 27.826 162 HH12 ARG 43 HH11 ARG 43 3.975 25.915 26.941 163 HH21 ARG 43 HH22 ARG 43 2.421 27.478 29.504 164 HH22 ARG 43 HH21 ARG 43 2.446 27.026 27.807 165 H GLY 44 H GLY 44 8.234 20.859 31.132 166 HA2 GLY 44 HA2 GLY 44 11.097 21.364 30.664 167 HA3 GLY 44 HA3 GLY 44 10.326 19.789 30.813 168 H GLU 45 H GLU 45 12.081 21.190 28.722 169 HA GLU 45 HA GLU 45 10.607 21.379 26.237 170 HB2 GLU 45 HB2 GLU 45 13.552 20.756 26.771 171 HB3 GLU 45 HB3 GLU 45 12.880 21.197 25.203 172 HG2 GLU 45 HG3 GLU 45 12.285 23.417 25.990 173 HG3 GLU 45 HG2 GLU 45 12.804 23.028 27.634 174 H ALA 46 H ALA 46 10.942 20.080 24.377 175 HA ALA 46 HA ALA 46 10.249 17.282 24.777 176 HB1 ALA 46 HB1 ALA 46 10.662 17.017 22.339 177 HB2 ALA 46 HB2 ALA 46 9.617 18.404 22.667 178 HB3 ALA 46 HB3 ALA 46 11.333 18.662 22.277 179 H THR 47 H THR 47 11.446 15.451 24.823 180 HA THR 47 HA THR 47 14.409 15.632 24.426 181 HB THR 47 HB THR 47 14.803 14.111 26.241 182 HG1 THR 47 HG1 THR 47 13.055 13.580 27.640 183 HG21 THR 47 HG21 THR 47 14.320 15.467 28.123 184 HG22 THR 47 HG22 THR 47 14.621 16.538 26.733 185 HG23 THR 47 HG23 THR 47 12.947 16.247 27.299 186 H GLU 48 H GLU 48 15.500 13.685 23.999 187 HA GLU 48 HA GLU 48 14.262 12.024 22.039 188 HB2 GLU 48 HB2 GLU 48 16.844 11.945 23.593 189 HB3 GLU 48 HB3 GLU 48 16.549 10.932 22.163 190 HG2 GLU 48 HG3 GLU 48 16.265 12.991 20.770 191 HG3 GLU 48 HG2 GLU 48 16.719 13.979 22.161 192 H ASP 49 H ASP 49 13.512 11.877 24.913 193 HA ASP 49 HA ASP 49 13.358 8.899 25.303 194 HB2 ASP 49 HB2 ASP 49 15.240 9.772 26.698 195 HB3 ASP 49 HB3 ASP 49 14.113 10.861 27.508 196 H ASN 50 H ASN 50 11.930 12.077 25.561 197 HA ASN 50 HA ASN 50 9.332 10.992 25.803 198 HB2 ASN 50 HB2 ASN 50 10.014 10.920 28.218 199 HB3 ASN 50 HB3 ASN 50 10.671 12.547 28.080 200 HD21 ASN 50 HD22 ASN 50 9.509 13.710 29.410 201 HD22 ASN 50 HD21 ASN 50 7.826 13.708 29.371 202 HA PRO 51 HA PRO 51 9.745 14.711 23.099 203 HB2 PRO 51 HB3 PRO 51 7.664 12.873 21.829 204 HB3 PRO 51 HB2 PRO 51 8.819 13.996 21.021 205 HG2 PRO 51 HG3 PRO 51 9.548 11.444 21.146 206 HG3 PRO 51 HG2 PRO 51 10.641 12.746 21.798 207 HD2 PRO 51 HD3 PRO 51 8.831 10.998 23.465 208 HD3 PRO 51 HD2 PRO 51 10.584 11.250 23.562 209 H LEU 52 H LEU 52 8.160 16.115 22.271 210 HA LEU 52 HA LEU 52 5.601 16.262 23.806 211 HB2 LEU 52 HB2 LEU 52 7.132 18.549 22.542 212 HB3 LEU 52 HB3 LEU 52 5.612 18.663 23.395 213 HG LEU 52 HG LEU 52 8.043 17.548 24.792 214 HD11 LEU 52 HD11 LEU 52 7.111 20.429 24.757 215 HD12 LEU 52 HD12 LEU 52 8.467 19.718 25.694 216 HD13 LEU 52 HD13 LEU 52 8.560 19.807 23.935 217 HD21 LEU 52 HD21 LEU 52 6.008 17.125 25.909 218 HD22 LEU 52 HD22 LEU 52 6.848 18.404 26.785 219 HD23 LEU 52 HD23 LEU 52 5.466 18.823 25.755 220 H PHE 53 H PHE 53 3.789 16.605 22.886 221 HA PHE 53 HA PHE 53 3.219 16.956 20.018 222 HB2 PHE 53 HB2 PHE 53 2.102 14.843 19.787 223 HB3 PHE 53 HB3 PHE 53 3.717 14.450 20.349 224 HD1 PHE 53 HD2 PHE 53 4.064 13.953 22.854 225 HD2 PHE 53 HD1 PHE 53 0.153 14.180 21.043 226 HE1 PHE 53 HE2 PHE 53 3.055 13.046 24.905 227 HE2 PHE 53 HE1 PHE 53 -0.846 13.230 23.102 228 HZ PHE 53 HZ PHE 53 0.593 12.739 25.075 229 H HIS 54 H HIS 54 0.828 16.684 19.804 230 HA HIS 54 HA HIS 54 -0.482 18.105 22.038 231 HB2 HIS 54 HB3 HIS 54 -1.669 18.592 19.485 232 HB3 HIS 54 HB2 HIS 54 -1.162 19.714 20.655 233 HD1 HIS 54 HD1 HIS 54 1.954 19.848 20.165 234 HD2 HIS 54 HD2 HIS 54 -0.823 18.748 17.198 235 HE1 HIS 54 HE1 HIS 54 3.149 20.074 17.912 236 HA PRO 55 HA PRO 55 -3.016 14.266 21.625 237 HB2 PRO 55 HB3 PRO 55 -4.510 14.581 23.889 238 HB3 PRO 55 HB2 PRO 55 -2.834 14.149 24.050 239 HG2 PRO 55 HG3 PRO 55 -3.987 16.955 23.974 240 HG3 PRO 55 HG2 PRO 55 -3.238 16.337 25.286 241 HD2 PRO 55 HD3 PRO 55 -1.824 17.751 23.507 242 HD3 PRO 55 HD2 PRO 55 -1.056 16.182 23.914 243 H CYS 56 H CYS 56 -3.765 17.565 21.899 244 HA CYS 56 HA CYS 56 -6.371 17.493 20.738 245 HB2 CYS 56 HB2 CYS 56 -7.321 18.882 22.475 246 HB3 CYS 56 HB3 CYS 56 -6.795 17.386 23.117 247 H LYS 57 H LYS 57 -6.905 19.552 19.798 248 HA LYS 57 HA LYS 57 -4.800 20.798 18.445 249 HB2 LYS 57 HB2 LYS 57 -7.567 21.836 19.092 250 HB3 LYS 57 HB3 LYS 57 -6.493 22.544 17.876 251 HG2 LYS 57 HG3 LYS 57 -7.557 19.679 17.843 252 HG3 LYS 57 HG2 LYS 57 -8.174 21.049 16.940 253 HD2 LYS 57 HD2 LYS 57 -5.999 21.236 15.728 254 HD3 LYS 57 HD3 LYS 57 -5.431 19.782 16.586 255 HE2 LYS 57 HE3 LYS 57 -7.345 18.495 15.668 256 HE3 LYS 57 HE2 LYS 57 -7.902 19.932 14.802 257 HZ1 LYS 57 HZ1 LYS 57 -6.593 18.482 13.361 258 HZ2 LYS 57 HZ2 LYS 57 -5.810 19.901 13.543 259 HZ3 LYS 57 HZ3 LYS 57 -5.296 18.572 14.346 260 H CYS 58 H CYS 58 -6.234 21.759 21.439 261 HA CYS 58 HA CYS 58 -6.166 23.775 22.624 262 HB2 CYS 58 HB3 CYS 58 -4.123 21.838 23.076 263 HB3 CYS 58 HB2 CYS 58 -3.570 23.430 23.618 264 H ARG 59 H ARG 59 -4.965 24.388 19.992 265 HA ARG 59 HA ARG 59 -3.533 25.905 18.926 266 HB2 ARG 59 HB3 ARG 59 -6.047 26.137 18.703 267 HB3 ARG 59 HB2 ARG 59 -5.944 27.510 19.796 268 HG2 ARG 59 HG2 ARG 59 -6.082 28.285 17.497 269 HG3 ARG 59 HG3 ARG 59 -4.507 28.711 18.141 270 HD2 ARG 59 HD2 ARG 59 -4.252 27.945 15.862 271 HD3 ARG 59 HD3 ARG 59 -3.468 26.813 16.943 272 HE ARG 59 HE ARG 59 -4.986 25.153 16.350 273 HH11 ARG 59 HH12 ARG 59 -6.200 28.170 15.029 274 HH12 ARG 59 HH11 ARG 59 -7.400 27.362 14.058 275 HH21 ARG 59 HH22 ARG 59 -6.544 24.199 15.087 276 HH22 ARG 59 HH21 ARG 59 -7.584 25.179 14.098 277 H GLY 60 H GLY 60 -1.957 25.940 20.849 278 HA2 GLY 60 HA2 GLY 60 -0.656 28.437 20.716 279 HA3 GLY 60 HA3 GLY 60 -1.582 28.455 22.215 280 H SER 61 H SER 61 0.774 28.793 22.845 281 HA SER 61 HA SER 61 2.646 26.633 23.079 282 HB2 SER 61 HB2 SER 61 2.399 29.172 24.744 283 HB3 SER 61 HB3 SER 61 3.845 28.159 24.556 284 HG SER 61 HG SER 61 3.878 29.995 23.170 285 H ILE 62 H ILE 62 0.013 25.868 24.039 286 HA ILE 62 HA ILE 62 0.671 24.708 26.639 287 HB ILE 62 HB ILE 62 -1.703 25.026 27.374 288 HG12 ILE 62 HG12 ILE 62 -2.488 27.463 26.354 289 HG13 ILE 62 HG13 ILE 62 -1.898 26.701 24.896 290 HG21 ILE 62 HG21 ILE 62 0.016 27.502 27.182 291 HG22 ILE 62 HG22 ILE 62 -1.271 27.186 28.372 292 HG23 ILE 62 HG23 ILE 62 0.170 26.167 28.365 293 HD11 ILE 62 HD11 ILE 62 -3.369 24.750 25.321 294 HD12 ILE 62 HD12 ILE 62 -3.970 25.532 26.800 295 HD13 ILE 62 HD13 ILE 62 -4.288 26.264 25.215 296 H LYS 63 H LYS 63 -0.338 24.272 23.410 297 HA LYS 63 HA LYS 63 -1.936 21.884 23.909 298 HB2 LYS 63 HB2 LYS 63 -2.140 21.629 21.631 299 HB3 LYS 63 HB3 LYS 63 -2.048 23.377 21.798 300 HG2 LYS 63 HG2 LYS 63 0.365 23.246 21.168 301 HG3 LYS 63 HG3 LYS 63 0.206 21.526 20.895 302 HD2 LYS 63 HD2 LYS 63 -1.514 21.965 19.168 303 HD3 LYS 63 HD3 LYS 63 -1.376 23.705 19.445 304 HE2 LYS 63 HE2 LYS 63 0.840 21.872 18.437 305 HE3 LYS 63 HE3 LYS 63 -0.159 22.905 17.422 306 HZ1 LYS 63 HZ1 LYS 63 1.971 23.943 17.932 307 HZ2 LYS 63 HZ2 LYS 63 0.762 24.840 18.564 308 HZ3 LYS 63 HZ3 LYS 63 1.680 23.894 19.538 309 H TYR 64 H TYR 64 1.437 22.571 23.871 310 HA TYR 64 HA TYR 64 2.335 19.869 23.334 311 HB2 TYR 64 HB2 TYR 64 3.742 22.336 24.396 312 HB3 TYR 64 HB3 TYR 64 4.541 20.770 24.217 313 HD1 TYR 64 HD2 TYR 64 4.271 19.542 21.942 314 HD2 TYR 64 HD1 TYR 64 3.758 23.794 22.480 315 HE1 TYR 64 HE2 TYR 64 4.757 19.869 19.563 316 HE2 TYR 64 HE1 TYR 64 4.206 24.137 20.052 317 HH TYR 64 HH TYR 64 4.908 21.426 17.823 318 H MET 65 H MET 65 2.954 18.328 24.619 319 HA MET 65 HA MET 65 2.848 18.460 27.582 320 HB2 MET 65 HB3 MET 65 0.862 16.774 25.969 321 HB3 MET 65 HB2 MET 65 1.126 16.648 27.710 322 HG2 MET 65 HG2 MET 65 0.286 18.933 28.024 323 HG3 MET 65 HG3 MET 65 0.060 19.098 26.277 324 HE1 MET 65 HE1 MET 65 -0.957 16.530 29.145 325 HE2 MET 65 HE2 MET 65 -1.577 18.147 29.572 326 HE3 MET 65 HE3 MET 65 -2.708 16.845 29.154 327 H HIS 66 H HIS 66 4.105 16.811 28.465 328 HA HIS 66 HA HIS 66 5.643 15.037 26.694 329 HB2 HIS 66 HB2 HIS 66 5.301 15.013 29.701 330 HB3 HIS 66 HB3 HIS 66 6.288 13.990 28.778 331 HD2 HIS 66 HD2 HIS 66 8.072 15.829 27.029 332 HE1 HIS 66 HE1 HIS 66 8.620 18.393 30.353 333 HE2 HIS 66 HE2 HIS 66 9.604 17.663 28.102 334 H GLU 67 H GLU 67 5.539 12.686 26.732 335 HA GLU 67 HA GLU 67 2.873 11.578 26.544 336 HB2 GLU 67 HB2 GLU 67 4.932 10.737 25.362 337 HB3 GLU 67 HB3 GLU 67 5.540 10.137 26.911 338 HG2 GLU 67 HG2 GLU 67 3.480 8.700 27.105 339 HG3 GLU 67 HG3 GLU 67 2.981 9.259 25.503 340 H SER 68 H SER 68 5.415 11.338 29.066 341 HA SER 68 HA SER 68 3.917 9.753 30.912 342 HB2 SER 68 HB2 SER 68 6.146 11.781 31.419 343 HB3 SER 68 HB3 SER 68 5.562 10.572 32.583 344 HG SER 68 HG SER 68 7.410 9.828 31.456 345 H CYS 69 H CYS 69 4.267 13.359 30.698 346 HA CYS 69 HA CYS 69 2.667 13.925 32.985 347 HB2 CYS 69 HB2 CYS 69 3.306 15.594 30.533 348 HB3 CYS 69 HB3 CYS 69 2.581 16.198 32.031 349 H LEU 70 H LEU 70 1.648 13.609 29.515 350 HA LEU 70 HA LEU 70 -1.111 14.279 29.999 351 HB2 LEU 70 HB2 LEU 70 -0.244 14.168 27.684 352 HB3 LEU 70 HB3 LEU 70 0.148 12.455 27.896 353 HG LEU 70 HG LEU 70 -2.337 11.996 28.095 354 HD11 LEU 70 HD11 LEU 70 -2.556 14.949 27.382 355 HD12 LEU 70 HD12 LEU 70 -3.895 13.793 27.538 356 HD13 LEU 70 HD13 LEU 70 -2.992 14.260 28.971 357 HD21 LEU 70 HD21 LEU 70 -1.482 13.642 25.692 358 HD22 LEU 70 HD22 LEU 70 -1.232 11.889 25.922 359 HD23 LEU 70 HD23 LEU 70 -2.879 12.547 25.747 360 H LEU 71 H LEU 71 0.657 11.153 30.083 361 HA LEU 71 HA LEU 71 -1.554 9.504 30.550 362 HB2 LEU 71 HB2 LEU 71 1.393 9.329 30.782 363 HB3 LEU 71 HB3 LEU 71 0.580 8.311 31.939 364 HG LEU 71 HG LEU 71 -0.616 7.118 30.217 365 HD11 LEU 71 HD11 LEU 71 0.779 8.882 28.158 366 HD12 LEU 71 HD12 LEU 71 -0.202 7.447 27.815 367 HD13 LEU 71 HD13 LEU 71 -0.962 8.883 28.502 368 HD21 LEU 71 HD21 LEU 71 1.331 6.069 29.095 369 HD22 LEU 71 HD22 LEU 71 2.342 7.464 29.554 370 HD23 LEU 71 HD23 LEU 71 1.663 6.399 30.805 371 H GLU 72 H GLU 72 0.106 11.562 32.841 372 HA GLU 72 HA GLU 72 -1.266 10.429 35.215 373 HB2 GLU 72 HB2 GLU 72 0.448 12.915 34.860 374 HB3 GLU 72 HB3 GLU 72 -0.145 12.304 36.399 375 HG2 GLU 72 HG2 GLU 72 1.722 10.752 34.554 376 HG3 GLU 72 HG3 GLU 72 2.266 11.781 35.862 377 H TRP 73 H TRP 73 -1.446 13.312 33.103 378 HA TRP 73 HA TRP 73 -3.409 14.775 34.567 379 HB2 TRP 73 HB2 TRP 73 -1.921 15.626 32.785 380 HB3 TRP 73 HB3 TRP 73 -2.820 14.682 31.600 381 HD1 TRP 73 HD1 TRP 73 -3.252 17.697 33.956 382 HE1 TRP 73 HE1 TRP 73 -5.101 19.228 33.050 383 HE3 TRP 73 HE3 TRP 73 -4.881 14.775 30.103 384 HZ2 TRP 73 HZ2 TRP 73 -6.926 19.270 30.791 385 HZ3 TRP 73 HZ3 TRP 73 -6.745 15.547 28.634 386 HH2 TRP 73 HH2 TRP 73 -7.735 17.798 28.944 387 H VAL 74 H VAL 74 -3.808 12.460 31.823 388 HA VAL 74 HA VAL 74 -6.702 12.576 31.795 389 HB VAL 74 HB VAL 74 -6.650 10.570 30.451 390 HG11 VAL 74 HG11 VAL 74 -4.333 12.351 29.633 391 HG12 VAL 74 HG12 VAL 74 -5.366 11.389 28.578 392 HG13 VAL 74 HG13 VAL 74 -6.033 12.785 29.447 393 HG21 VAL 74 HG21 VAL 74 -5.004 9.141 31.452 394 HG22 VAL 74 HG22 VAL 74 -4.441 9.510 29.818 395 HG23 VAL 74 HG23 VAL 74 -3.715 10.326 31.208 396 H ALA 75 H ALA 75 -4.396 10.701 33.674 397 HA ALA 75 HA ALA 75 -6.322 8.847 34.817 398 HB1 ALA 75 HB1 ALA 75 -3.916 8.351 34.768 399 HB2 ALA 75 HB2 ALA 75 -3.581 9.726 35.840 400 HB3 ALA 75 HB3 ALA 75 -4.526 8.348 36.432 401 H SER 76 H SER 76 -5.150 12.078 35.716 402 HA SER 76 HA SER 76 -6.428 12.300 38.260 403 HB2 SER 76 HB2 SER 76 -4.611 13.788 37.201 404 HB3 SER 76 HB3 SER 76 -5.931 14.599 36.342 405 HG SER 76 HG SER 76 -5.514 14.395 39.157 406 H LYS 77 H LYS 77 -7.814 12.308 35.056 407 HA LYS 77 HA LYS 77 -10.309 13.684 35.830 408 HB2 LYS 77 HB2 LYS 77 -9.810 12.044 33.321 409 HB3 LYS 77 HB3 LYS 77 -10.974 13.339 33.540 410 HG2 LYS 77 HG2 LYS 77 -7.961 13.646 33.333 411 HG3 LYS 77 HG3 LYS 77 -9.113 14.011 32.078 412 HD2 LYS 77 HD2 LYS 77 -10.115 15.786 33.567 413 HD3 LYS 77 HD3 LYS 77 -8.860 15.434 34.779 414 HE2 LYS 77 HE3 LYS 77 -7.101 16.013 33.164 415 HE3 LYS 77 HE2 LYS 77 -8.322 16.348 31.929 416 HZ1 LYS 77 HZ1 LYS 77 -8.056 17.806 34.508 417 HZ2 LYS 77 HZ2 LYS 77 -7.643 18.390 33.039 418 HZ3 LYS 77 HZ3 LYS 77 -9.210 18.102 33.388 419 H ASN 78 H ASN 78 -9.187 10.785 36.707 420 HA ASN 78 HA ASN 78 -10.113 9.022 37.702 421 HB2 ASN 78 HB3 ASN 78 -11.954 9.463 38.781 422 HB3 ASN 78 HB2 ASN 78 -12.179 10.902 37.859 423 HD21 ASN 78 HD22 ASN 78 -13.386 10.533 35.683 424 HD22 ASN 78 HD21 ASN 78 -14.795 9.467 35.803 425 H ILE 79 H ILE 79 -9.618 9.259 34.702 426 HA ILE 79 HA ILE 79 -11.135 6.855 33.780 427 HB ILE 79 HB ILE 79 -9.868 8.909 31.965 428 HG12 ILE 79 HG12 ILE 79 -12.637 9.094 33.246 429 HG13 ILE 79 HG13 ILE 79 -11.300 10.213 33.405 430 HG21 ILE 79 HG21 ILE 79 -10.569 6.696 31.040 431 HG22 ILE 79 HG22 ILE 79 -12.225 6.998 31.615 432 HG23 ILE 79 HG23 ILE 79 -11.501 8.019 30.355 433 HD11 ILE 79 HD11 ILE 79 -12.935 11.170 31.965 434 HD12 ILE 79 HD12 ILE 79 -11.392 10.936 31.144 435 HD13 ILE 79 HD13 ILE 79 -12.769 9.839 30.805 436 H ASP 80 H ASP 80 -10.068 5.074 33.308 437 HA ASP 80 HA ASP 80 -7.090 5.080 33.189 438 HB2 ASP 80 HB2 ASP 80 -8.220 3.634 34.840 439 HB3 ASP 80 HB3 ASP 80 -9.015 2.759 33.529 440 H ILE 81 H ILE 81 -6.379 5.421 31.219 441 HA ILE 81 HA ILE 81 -7.754 4.944 28.779 442 HB ILE 81 HB ILE 81 -5.718 5.587 27.677 443 HG12 ILE 81 HG12 ILE 81 -4.292 5.438 30.376 444 HG13 ILE 81 HG13 ILE 81 -4.078 4.293 29.050 445 HG21 ILE 81 HG21 ILE 81 -7.193 7.249 28.829 446 HG22 ILE 81 HG22 ILE 81 -6.072 7.245 30.210 447 HG23 ILE 81 HG23 ILE 81 -5.525 7.794 28.617 448 HD11 ILE 81 HD11 ILE 81 -3.323 7.236 29.018 449 HD12 ILE 81 HD12 ILE 81 -2.251 5.826 28.975 450 HD13 ILE 81 HD13 ILE 81 -3.296 6.177 27.586 451 H SER 82 H SER 82 -6.158 2.632 30.740 452 HA SER 82 HA SER 82 -5.218 0.920 28.592 453 HB2 SER 82 HB2 SER 82 -4.317 0.951 30.930 454 HB3 SER 82 HB3 SER 82 -5.845 0.252 31.496 455 HG SER 82 HG SER 82 -4.168 -1.316 31.112 456 H LYS 83 H LYS 83 -8.302 1.531 30.061 457 HA LYS 83 HA LYS 83 -9.523 -1.033 29.165 458 HB2 LYS 83 HB3 LYS 83 -10.489 1.294 30.879 459 HB3 LYS 83 HB2 LYS 83 -11.582 0.061 30.269 460 HG2 LYS 83 HG2 LYS 83 -10.978 -0.446 32.525 461 HG3 LYS 83 HG3 LYS 83 -10.380 -1.703 31.437 462 HD2 LYS 83 HD2 LYS 83 -8.095 -0.944 31.699 463 HD3 LYS 83 HD3 LYS 83 -8.634 0.548 32.483 464 HE2 LYS 83 HE2 LYS 83 -7.760 -0.897 34.178 465 HE3 LYS 83 HE3 LYS 83 -9.505 -0.779 34.399 466 HZ1 LYS 83 HZ1 LYS 83 -8.713 -3.072 34.595 467 HZ2 LYS 83 HZ2 LYS 83 -9.718 -2.960 33.318 468 HZ3 LYS 83 HZ3 LYS 83 -8.100 -3.051 33.085 469 HA PRO 84 HA PRO 84 -11.096 0.981 25.540 470 HB2 PRO 84 HB3 PRO 84 -12.885 -0.857 24.578 471 HB3 PRO 84 HB2 PRO 84 -11.133 -1.197 24.706 472 HG2 PRO 84 HG3 PRO 84 -13.309 -1.908 26.711 473 HG3 PRO 84 HG2 PRO 84 -12.087 -3.004 25.988 474 HD2 PRO 84 HD3 PRO 84 -11.734 -1.804 28.429 475 HD3 PRO 84 HD2 PRO 84 -10.367 -2.118 27.317 476 H GLY 85 H GLY 85 -12.569 1.234 28.217 477 HA2 GLY 85 HA2 GLY 85 -15.212 2.315 27.336 478 HA3 GLY 85 HA3 GLY 85 -14.700 2.025 29.003 479 H ALA 86 H ALA 86 -12.062 3.476 27.597 480 HA ALA 86 HA ALA 86 -12.453 5.977 28.941 481 HB1 ALA 86 HB1 ALA 86 -10.262 4.892 28.661 482 HB2 ALA 86 HB2 ALA 86 -10.366 5.098 26.896 483 HB3 ALA 86 HB3 ALA 86 -10.252 6.518 27.956 484 H ASP 87 H ASP 87 -12.897 7.991 28.198 485 HA ASP 87 HA ASP 87 -13.415 8.573 25.347 486 HB2 ASP 87 HB2 ASP 87 -15.541 7.652 26.310 487 HB3 ASP 87 HB3 ASP 87 -15.527 8.936 27.519 488 H VAL 88 H VAL 88 -11.292 9.351 26.797 489 HA VAL 88 HA VAL 88 -11.574 11.773 28.290 490 HB VAL 88 HB VAL 88 -9.025 10.857 26.924 491 HG11 VAL 88 HG11 VAL 88 -8.974 13.082 28.040 492 HG12 VAL 88 HG12 VAL 88 -9.599 12.345 29.534 493 HG13 VAL 88 HG13 VAL 88 -8.003 11.899 28.912 494 HG21 VAL 88 HG21 VAL 88 -9.882 8.879 28.137 495 HG22 VAL 88 HG22 VAL 88 -8.506 9.577 28.986 496 HG23 VAL 88 HG23 VAL 88 -10.147 9.873 29.581 497 H LYS 89 H LYS 89 -11.907 13.788 27.615 498 HA LYS 89 HA LYS 89 -10.789 14.824 25.097 499 HB2 LYS 89 HB2 LYS 89 -12.875 13.993 24.423 500 HB3 LYS 89 HB3 LYS 89 -13.683 14.474 25.934 501 HG2 LYS 89 HG3 LYS 89 -13.584 16.840 25.218 502 HG3 LYS 89 HG2 LYS 89 -12.802 16.317 23.705 503 HD2 LYS 89 HD2 LYS 89 -14.790 14.604 23.552 504 HD3 LYS 89 HD3 LYS 89 -15.593 15.653 24.734 505 HE2 LYS 89 HE2 LYS 89 -15.288 17.565 23.119 506 HE3 LYS 89 HE3 LYS 89 -14.600 16.416 21.959 507 HZ1 LYS 89 HZ1 LYS 89 -17.358 16.317 23.069 508 HZ2 LYS 89 HZ2 LYS 89 -16.966 16.769 21.551 509 HZ3 LYS 89 HZ3 LYS 89 -16.747 15.220 22.019 510 H CYS 90 H CYS 90 -10.341 16.944 25.081 511 HA CYS 90 HA CYS 90 -9.546 18.045 27.526 512 HB2 CYS 90 HB3 CYS 90 -8.526 18.380 25.214 513 HB3 CYS 90 HB2 CYS 90 -9.842 19.310 24.795 514 H ASP 91 H ASP 91 -9.956 20.186 28.282 515 HA ASP 91 HA ASP 91 -12.829 21.056 28.257 516 HB2 ASP 91 HB2 ASP 91 -11.857 20.078 30.415 517 HB3 ASP 91 HB3 ASP 91 -10.777 21.451 30.479 518 H ILE 92 H ILE 92 -9.683 21.856 27.352 519 HA ILE 92 HA ILE 92 -10.011 24.751 27.700 520 HB ILE 92 HB ILE 92 -7.781 23.150 26.412 521 HG12 ILE 92 HG12 ILE 92 -7.986 24.371 29.202 522 HG13 ILE 92 HG13 ILE 92 -7.963 22.649 28.795 523 HG21 ILE 92 HG21 ILE 92 -6.455 25.249 26.526 524 HG22 ILE 92 HG22 ILE 92 -7.834 25.369 25.461 525 HG23 ILE 92 HG23 ILE 92 -7.909 26.112 27.086 526 HD11 ILE 92 HD11 ILE 92 -5.817 23.238 29.658 527 HD12 ILE 92 HD12 ILE 92 -5.635 22.899 27.926 528 HD13 ILE 92 HD13 ILE 92 -5.635 24.580 28.523 529 H CYS 93 H CYS 93 -9.322 22.379 24.986 530 HA CYS 93 HA CYS 93 -10.476 24.336 23.082 531 HB2 CYS 93 HB3 CYS 93 -8.974 23.329 21.555 532 HB3 CYS 93 HB2 CYS 93 -8.109 23.757 23.005 533 H HIS 94 H HIS 94 -11.369 21.646 24.769 534 HA HIS 94 HA HIS 94 -12.928 20.065 24.640 535 HB2 HIS 94 HB2 HIS 94 -14.267 22.144 24.225 536 HB3 HIS 94 HB3 HIS 94 -14.269 21.736 22.511 537 HD1 HIS 94 HD1 HIS 94 -16.746 21.023 22.139 538 HD2 HIS 94 HD2 HIS 94 -14.971 19.355 25.572 539 HE1 HIS 94 HE1 HIS 94 -18.458 19.404 23.114 540 H TYR 95 H TYR 95 -10.619 19.963 22.451 541 HA TYR 95 HA TYR 95 -11.849 18.068 20.571 542 HB2 TYR 95 HB2 TYR 95 -8.983 18.987 20.964 543 HB3 TYR 95 HB3 TYR 95 -9.434 17.644 19.918 544 HD1 TYR 95 HD1 TYR 95 -9.861 21.262 20.492 545 HD2 TYR 95 HD2 TYR 95 -10.328 17.995 17.763 546 HE1 TYR 95 HE1 TYR 95 -10.594 22.879 18.750 547 HE2 TYR 95 HE2 TYR 95 -11.056 19.599 15.965 548 HH TYR 95 HH TYR 95 -11.305 23.128 16.564 549 HA PRO 96 HA PRO 96 -11.192 14.459 23.169 550 HB2 PRO 96 HB3 PRO 96 -10.691 12.994 20.601 551 HB3 PRO 96 HB2 PRO 96 -11.827 12.594 21.940 552 HG2 PRO 96 HG3 PRO 96 -12.760 13.655 19.619 553 HG3 PRO 96 HG2 PRO 96 -13.408 14.190 21.209 554 HD2 PRO 96 HD3 PRO 96 -11.316 15.523 19.527 555 HD3 PRO 96 HD2 PRO 96 -12.770 16.240 20.287 556 H ILE 97 H ILE 97 -9.527 13.288 23.998 557 HA ILE 97 HA ILE 97 -6.875 14.428 23.334 558 HB ILE 97 HB ILE 97 -8.253 13.448 25.779 559 HG12 ILE 97 HG12 ILE 97 -8.256 15.877 24.618 560 HG13 ILE 97 HG13 ILE 97 -8.393 15.740 26.320 561 HG21 ILE 97 HG21 ILE 97 -5.290 13.897 25.736 562 HG22 ILE 97 HG22 ILE 97 -6.317 13.774 27.172 563 HG23 ILE 97 HG23 ILE 97 -6.156 12.396 26.093 564 HD11 ILE 97 HD11 ILE 97 -5.895 16.254 24.752 565 HD12 ILE 97 HD12 ILE 97 -6.794 17.416 25.744 566 HD13 ILE 97 HD13 ILE 97 -5.915 16.103 26.527 567 H GLN 98 H GLN 98 -5.760 13.329 22.048 568 HA GLN 98 HA GLN 98 -5.736 10.361 21.944 569 HB2 GLN 98 HB2 GLN 98 -4.253 12.477 20.308 570 HB3 GLN 98 HB3 GLN 98 -4.207 10.733 20.016 571 HG2 GLN 98 HG2 GLN 98 -6.685 10.750 19.650 572 HG3 GLN 98 HG3 GLN 98 -6.688 12.505 19.844 573 HE21 GLN 98 HE22 GLN 98 -6.128 9.899 17.592 574 HE22 GLN 98 HE21 GLN 98 -5.605 10.927 16.265 575 H PHE 99 H PHE 99 -4.512 9.246 23.262 576 HA PHE 99 HA PHE 99 -2.586 10.365 24.951 577 HB2 PHE 99 HB2 PHE 99 -2.882 7.410 24.393 578 HB3 PHE 99 HB3 PHE 99 -2.438 8.192 25.906 579 HD1 PHE 99 HD1 PHE 99 -4.364 10.112 26.591 580 HD2 PHE 99 HD2 PHE 99 -5.008 6.424 24.444 581 HE1 PHE 99 HE1 PHE 99 -6.767 10.193 27.166 582 HE2 PHE 99 HE2 PHE 99 -7.416 6.500 25.042 583 HZ PHE 99 HZ PHE 99 -8.306 8.393 26.378 584 H LYS 100 H LYS 100 -1.873 10.089 21.943 585 HA LYS 100 HA LYS 100 1.003 10.116 22.303 586 HB2 LYS 100 HB2 LYS 100 0.415 7.663 22.217 587 HB3 LYS 100 HB3 LYS 100 -0.333 7.914 20.648 588 HG2 LYS 100 HG2 LYS 100 1.858 6.881 20.466 589 HG3 LYS 100 HG3 LYS 100 1.832 8.446 19.659 590 HD2 LYS 100 HD2 LYS 100 3.042 9.477 21.558 591 HD3 LYS 100 HD3 LYS 100 2.937 7.958 22.467 592 HE2 LYS 100 HE2 LYS 100 4.324 6.824 20.798 593 HE3 LYS 100 HE3 LYS 100 4.366 8.279 19.788 594 HZ1 LYS 100 HZ1 LYS 100 5.408 8.184 22.572 595 HZ2 LYS 100 HZ2 LYS 100 6.359 7.992 21.243 596 HZ3 LYS 100 HZ3 LYS 100 5.589 9.412 21.511 597 H THR 101 H THR 101 2.121 10.700 20.346 598 HA THR 101 HA THR 101 1.292 12.858 18.910 599 HB THR 101 HB THR 101 3.183 10.786 17.768 600 HG1 THR 101 HG1 THR 101 4.747 11.735 19.128 601 HG21 THR 101 HG21 THR 101 2.840 12.824 16.408 602 HG22 THR 101 HG22 THR 101 3.238 13.840 17.809 603 HG23 THR 101 HG23 THR 101 4.473 12.785 17.087 Start of MODEL 3 1 H1 VAL 19 H1 VAL 19 36.718 24.943 22.177 2 H2 VAL 19 H2 VAL 19 37.419 23.938 21.087 3 H3 VAL 19 H3 VAL 19 35.802 23.916 21.294 4 HA VAL 19 HA VAL 19 35.553 26.114 20.422 5 HB VAL 19 HB VAL 19 37.755 26.898 21.257 6 HG11 VAL 19 HG11 VAL 19 39.263 25.138 20.363 7 HG12 VAL 19 HG12 VAL 19 38.939 25.715 18.710 8 HG13 VAL 19 HG13 VAL 19 39.754 26.764 19.880 9 HG21 VAL 19 HG21 VAL 19 37.297 27.602 18.338 10 HG22 VAL 19 HG22 VAL 19 36.361 28.248 19.711 11 HG23 VAL 19 HG23 VAL 19 38.095 28.576 19.580 12 H ALA 20 H ALA 20 35.124 26.444 18.171 13 HA ALA 20 HA ALA 20 35.168 23.979 16.565 14 HB1 ALA 20 HB1 ALA 20 33.956 26.736 16.059 15 HB2 ALA 20 HB2 ALA 20 33.598 25.241 15.167 16 HB3 ALA 20 HB3 ALA 20 33.127 25.384 16.864 17 H ASN 21 H ASN 21 35.329 24.846 13.969 18 HA ASN 21 HA ASN 21 37.928 26.227 13.600 19 HB2 ASN 21 HB2 ASN 21 38.638 24.548 12.112 20 HB3 ASN 21 HB3 ASN 21 38.145 23.718 13.591 21 HD21 ASN 21 HD22 ASN 21 38.356 22.817 10.667 22 HD22 ASN 21 HD21 ASN 21 36.772 22.123 10.354 23 H GLU 22 H GLU 22 34.882 26.524 13.159 24 HA GLU 22 HA GLU 22 34.921 28.176 10.742 25 HB2 GLU 22 HB2 GLU 22 33.073 25.752 10.998 26 HB3 GLU 22 HB3 GLU 22 32.743 27.127 9.938 27 HG2 GLU 22 HG2 GLU 22 34.921 26.753 8.794 28 HG3 GLU 22 HG3 GLU 22 35.145 25.278 9.750 29 H GLU 23 H GLU 23 33.237 29.719 10.761 30 HA GLU 23 HA GLU 23 31.273 29.751 12.967 31 HB2 GLU 23 HB2 GLU 23 33.608 30.699 13.724 32 HB3 GLU 23 HB3 GLU 23 33.205 32.081 12.722 33 HG2 GLU 23 HG2 GLU 23 32.618 32.607 14.971 34 HG3 GLU 23 HG3 GLU 23 31.100 32.375 14.125 35 H THR 24 H THR 24 31.248 29.728 9.982 36 HA THR 24 HA THR 24 29.600 32.173 9.466 37 HB THR 24 HB THR 24 30.535 32.195 7.157 38 HG1 THR 24 HG1 THR 24 32.376 30.959 6.762 39 HG21 THR 24 HG21 THR 24 32.725 32.338 9.267 40 HG22 THR 24 HG22 THR 24 32.684 33.163 7.692 41 HG23 THR 24 HG23 THR 24 31.527 33.614 8.959 42 H ASP 25 H ASP 25 29.221 28.960 9.797 43 HA ASP 25 HA ASP 25 27.938 27.985 7.557 44 HB2 ASP 25 HB2 ASP 25 28.754 26.836 9.646 45 HB3 ASP 25 HB3 ASP 25 27.322 27.432 10.484 46 H THR 26 H THR 26 25.610 27.181 7.554 47 HA THR 26 HA THR 26 23.516 29.116 8.350 48 HB THR 26 HB THR 26 23.954 28.285 5.445 49 HG1 THR 26 HG1 THR 26 25.283 30.004 6.187 50 HG21 THR 26 HG21 THR 26 21.554 28.449 5.870 51 HG22 THR 26 HG22 THR 26 21.774 30.001 6.718 52 HG23 THR 26 HG23 THR 26 22.078 29.873 4.971 53 H ALA 27 H ALA 27 21.509 28.083 8.600 54 HA ALA 27 HA ALA 27 21.092 25.320 7.714 55 HB1 ALA 27 HB1 ALA 27 22.507 25.001 9.738 56 HB2 ALA 27 HB2 ALA 27 21.338 25.934 10.698 57 HB3 ALA 27 HB3 ALA 27 20.873 24.374 9.981 58 H THR 28 H THR 28 19.038 24.433 8.290 59 HA THR 28 HA THR 28 16.866 26.167 9.298 60 HB THR 28 HB THR 28 16.679 24.810 6.570 61 HG1 THR 28 HG1 THR 28 17.109 27.526 7.246 62 HG21 THR 28 HG21 THR 28 14.821 26.755 8.013 63 HG22 THR 28 HG22 THR 28 14.643 26.235 6.323 64 HG23 THR 28 HG23 THR 28 14.488 25.051 7.621 65 H PHE 29 H PHE 29 15.203 24.928 10.211 66 HA PHE 29 HA PHE 29 15.298 21.958 10.000 67 HB2 PHE 29 HB2 PHE 29 15.387 23.527 12.609 68 HB3 PHE 29 HB3 PHE 29 15.248 21.789 12.456 69 HD1 PHE 29 HD2 PHE 29 17.189 20.473 11.378 70 HD2 PHE 29 HD1 PHE 29 17.534 24.580 12.653 71 HE1 PHE 29 HE2 PHE 29 19.665 20.262 11.401 72 HE2 PHE 29 HE1 PHE 29 20.008 24.363 12.680 73 HZ PHE 29 HZ PHE 29 21.077 22.206 12.051 74 H ASN 30 H ASN 30 13.416 20.894 10.496 75 HA ASN 30 HA ASN 30 11.037 22.253 11.554 76 HB2 ASN 30 HB2 ASN 30 11.005 22.812 9.115 77 HB3 ASN 30 HB3 ASN 30 11.105 21.093 8.730 78 HD21 ASN 30 HD22 ASN 30 9.096 20.466 7.988 79 HD22 ASN 30 HD21 ASN 30 7.582 20.931 8.751 80 H ASP 31 H ASP 31 9.622 20.811 12.529 81 HA ASP 31 HA ASP 31 9.668 17.931 12.059 82 HB2 ASP 31 HB3 ASP 31 11.628 18.405 13.608 83 HB3 ASP 31 HB2 ASP 31 10.485 19.072 14.768 84 H ASP 32 H ASP 32 8.056 16.901 13.835 85 HA ASP 32 HA ASP 32 5.552 18.274 13.589 86 HB2 ASP 32 HB2 ASP 32 5.980 15.770 13.527 87 HB3 ASP 32 HB3 ASP 32 6.251 15.832 15.268 88 H ALA 33 H ALA 33 7.884 18.895 15.656 89 HA ALA 33 HA ALA 33 6.164 20.350 17.561 90 HB1 ALA 33 HB1 ALA 33 6.659 18.234 18.707 91 HB2 ALA 33 HB2 ALA 33 8.403 18.491 18.438 92 HB3 ALA 33 HB3 ALA 33 7.499 19.598 19.487 93 HA PRO 34 HA PRO 34 9.112 23.583 16.566 94 HB2 PRO 34 HB3 PRO 34 8.491 24.478 19.366 95 HB3 PRO 34 HB2 PRO 34 8.533 25.423 17.864 96 HG2 PRO 34 HG3 PRO 34 6.189 24.551 19.096 97 HG3 PRO 34 HG2 PRO 34 6.326 24.703 17.343 98 HD2 PRO 34 HD3 PRO 34 6.350 22.200 18.948 99 HD3 PRO 34 HD2 PRO 34 5.879 22.491 17.256 100 H SER 35 H SER 35 11.140 24.240 17.090 101 HA SER 35 HA SER 35 12.884 22.538 18.505 102 HB2 SER 35 HB2 SER 35 13.489 24.120 16.644 103 HB3 SER 35 HB3 SER 35 13.389 25.455 17.806 104 HG SER 35 HG SER 35 15.538 24.648 17.530 105 H GLY 36 H GLY 36 11.013 25.228 19.664 106 HA2 GLY 36 HA2 GLY 36 12.191 25.016 22.414 107 HA3 GLY 36 HA3 GLY 36 11.603 26.519 21.701 108 H ALA 37 H ALA 37 9.832 23.453 21.269 109 HA ALA 37 HA ALA 37 7.453 24.571 22.580 110 HB1 ALA 37 HB1 ALA 37 7.104 23.206 20.652 111 HB2 ALA 37 HB2 ALA 37 8.068 21.862 21.321 112 HB3 ALA 37 HB3 ALA 37 6.503 22.291 22.042 113 H THR 38 H THR 38 6.439 23.622 24.398 114 HA THR 38 HA THR 38 8.077 22.016 26.283 115 HB THR 38 HB THR 38 7.721 23.620 28.125 116 HG1 THR 38 HG1 THR 38 5.993 24.808 27.081 117 HG21 THR 38 HG21 THR 38 9.202 25.038 25.886 118 HG22 THR 38 HG22 THR 38 9.545 25.046 27.630 119 HG23 THR 38 HG23 THR 38 9.833 23.586 26.659 120 H CYS 39 H CYS 39 7.025 21.004 27.927 121 HA CYS 39 HA CYS 39 4.355 20.172 27.652 122 HB2 CYS 39 HB3 CYS 39 5.973 18.923 28.855 123 HB3 CYS 39 HB2 CYS 39 6.360 20.135 29.947 124 H ARG 40 H ARG 40 2.423 21.016 28.181 125 HA ARG 40 HA ARG 40 2.256 23.667 29.407 126 HB2 ARG 40 HB3 ARG 40 -0.096 23.519 29.133 127 HB3 ARG 40 HB2 ARG 40 0.723 22.948 27.691 128 HG2 ARG 40 HG2 ARG 40 -0.374 21.021 27.692 129 HG3 ARG 40 HG3 ARG 40 0.118 20.638 29.341 130 HD2 ARG 40 HD2 ARG 40 -1.752 21.825 30.277 131 HD3 ARG 40 HD3 ARG 40 -2.138 22.592 28.745 132 HE ARG 40 HE ARG 40 -2.905 19.904 29.603 133 HH11 ARG 40 HH12 ARG 40 -2.507 21.926 26.745 134 HH12 ARG 40 HH11 ARG 40 -3.892 21.200 25.961 135 HH21 ARG 40 HH22 ARG 40 -4.584 18.949 28.425 136 HH22 ARG 40 HH21 ARG 40 -4.964 19.575 26.847 137 H ILE 41 H ILE 41 2.581 20.635 30.785 138 HA ILE 41 HA ILE 41 1.205 21.343 33.316 139 HB ILE 41 HB ILE 41 2.441 18.733 32.401 140 HG12 ILE 41 HG12 ILE 41 -0.462 19.597 32.893 141 HG13 ILE 41 HG13 ILE 41 0.275 19.490 31.303 142 HG21 ILE 41 HG21 ILE 41 0.945 19.294 34.993 143 HG22 ILE 41 HG22 ILE 41 1.510 17.704 34.422 144 HG23 ILE 41 HG23 ILE 41 2.679 18.923 34.850 145 HD11 ILE 41 HD11 ILE 41 -1.149 17.586 31.780 146 HD12 ILE 41 HD12 ILE 41 0.522 17.103 31.456 147 HD13 ILE 41 HD13 ILE 41 -0.112 17.094 33.121 148 H CYS 42 H CYS 42 4.601 20.478 32.162 149 HA CYS 42 HA CYS 42 5.430 21.725 34.808 150 HB2 CYS 42 HB3 CYS 42 7.172 20.168 35.037 151 HB3 CYS 42 HB2 CYS 42 5.657 19.301 34.809 152 H ARG 43 H ARG 43 5.312 22.531 31.752 153 HA ARG 43 HA ARG 43 6.374 24.028 30.391 154 HB2 ARG 43 HB2 ARG 43 7.258 25.283 33.004 155 HB3 ARG 43 HB3 ARG 43 7.077 26.096 31.451 156 HG2 ARG 43 HG2 ARG 43 4.807 24.846 33.063 157 HG3 ARG 43 HG3 ARG 43 5.195 26.556 33.003 158 HD2 ARG 43 HD2 ARG 43 4.500 26.789 30.753 159 HD3 ARG 43 HD3 ARG 43 4.556 25.064 30.445 160 HE ARG 43 HE ARG 43 2.600 24.715 31.838 161 HH11 ARG 43 HH12 ARG 43 3.019 28.091 30.973 162 HH12 ARG 43 HH11 ARG 43 1.310 28.403 31.108 163 HH21 ARG 43 HH22 ARG 43 0.525 25.133 31.900 164 HH22 ARG 43 HH21 ARG 43 -0.085 26.759 31.673 165 H GLY 44 H GLY 44 7.850 21.637 30.874 166 HA2 GLY 44 HA2 GLY 44 10.645 22.673 30.324 167 HA3 GLY 44 HA3 GLY 44 10.327 21.033 30.841 168 H GLU 45 H GLU 45 11.730 22.092 28.565 169 HA GLU 45 HA GLU 45 10.461 21.683 26.146 170 HB2 GLU 45 HB3 GLU 45 13.206 21.566 27.433 171 HB3 GLU 45 HB2 GLU 45 13.016 21.158 25.812 172 HG2 GLU 45 HG2 GLU 45 12.101 23.401 25.258 173 HG3 GLU 45 HG3 GLU 45 12.178 23.835 26.969 174 H ALA 46 H ALA 46 11.016 20.163 24.619 175 HA ALA 46 HA ALA 46 10.392 17.421 25.317 176 HB1 ALA 46 HB1 ALA 46 11.623 18.583 22.768 177 HB2 ALA 46 HB2 ALA 46 11.027 16.923 22.944 178 HB3 ALA 46 HB3 ALA 46 9.896 18.276 23.045 179 H THR 47 H THR 47 11.666 15.583 25.414 180 HA THR 47 HA THR 47 14.634 15.974 25.423 181 HB THR 47 HB THR 47 14.904 14.432 27.224 182 HG1 THR 47 HG1 THR 47 13.054 13.752 28.409 183 HG21 THR 47 HG21 THR 47 14.529 16.818 27.763 184 HG22 THR 47 HG22 THR 47 12.806 16.446 28.078 185 HG23 THR 47 HG23 THR 47 14.081 15.702 29.077 186 H GLU 48 H GLU 48 15.885 14.328 24.930 187 HA GLU 48 HA GLU 48 15.332 12.713 22.860 188 HB2 GLU 48 HB3 GLU 48 17.501 13.509 23.932 189 HB3 GLU 48 HB2 GLU 48 17.300 12.214 25.122 190 HG2 GLU 48 HG2 GLU 48 17.669 10.524 23.409 191 HG3 GLU 48 HG3 GLU 48 17.554 11.733 22.122 192 H ASP 49 H ASP 49 14.178 12.011 25.934 193 HA ASP 49 HA ASP 49 13.785 9.101 25.365 194 HB2 ASP 49 HB2 ASP 49 15.534 9.480 27.102 195 HB3 ASP 49 HB3 ASP 49 14.362 10.384 28.060 196 H ASN 50 H ASN 50 12.391 12.186 26.342 197 HA ASN 50 HA ASN 50 9.768 10.973 26.172 198 HB2 ASN 50 HB2 ASN 50 10.471 10.832 28.598 199 HB3 ASN 50 HB3 ASN 50 10.911 12.533 28.550 200 HD21 ASN 50 HD22 ASN 50 9.614 13.507 29.862 201 HD22 ASN 50 HD21 ASN 50 7.920 13.197 29.891 202 HA PRO 51 HA PRO 51 10.184 14.776 23.577 203 HB2 PRO 51 HB3 PRO 51 8.349 12.799 22.149 204 HB3 PRO 51 HB2 PRO 51 9.444 14.034 21.428 205 HG2 PRO 51 HG3 PRO 51 10.384 11.550 21.574 206 HG3 PRO 51 HG2 PRO 51 11.331 12.924 22.293 207 HD2 PRO 51 HD3 PRO 51 9.688 10.967 23.855 208 HD3 PRO 51 HD2 PRO 51 11.355 11.508 24.025 209 H LEU 52 H LEU 52 8.588 16.016 22.546 210 HA LEU 52 HA LEU 52 5.890 16.090 23.866 211 HB2 LEU 52 HB2 LEU 52 7.385 18.417 22.636 212 HB3 LEU 52 HB3 LEU 52 5.817 18.480 23.389 213 HG LEU 52 HG LEU 52 8.227 17.575 24.972 214 HD11 LEU 52 HD11 LEU 52 8.464 19.815 25.791 215 HD12 LEU 52 HD12 LEU 52 8.696 19.801 24.039 216 HD13 LEU 52 HD13 LEU 52 7.150 20.388 24.709 217 HD21 LEU 52 HD21 LEU 52 5.546 18.756 25.741 218 HD22 LEU 52 HD22 LEU 52 6.182 17.099 25.992 219 HD23 LEU 52 HD23 LEU 52 6.892 18.459 26.857 220 H PHE 53 H PHE 53 4.161 16.334 22.755 221 HA PHE 53 HA PHE 53 3.986 16.647 19.839 222 HB2 PHE 53 HB2 PHE 53 2.646 14.574 19.666 223 HB3 PHE 53 HB3 PHE 53 4.284 14.203 20.178 224 HD1 PHE 53 HD1 PHE 53 4.748 13.666 22.639 225 HD2 PHE 53 HD2 PHE 53 0.747 13.996 21.051 226 HE1 PHE 53 HE1 PHE 53 3.834 12.795 24.761 227 HE2 PHE 53 HE2 PHE 53 -0.146 13.057 23.153 228 HZ PHE 53 HZ PHE 53 1.365 12.597 25.074 229 H HIS 54 H HIS 54 1.504 16.838 19.359 230 HA HIS 54 HA HIS 54 0.144 17.979 21.735 231 HB2 HIS 54 HB2 HIS 54 -1.037 19.537 20.534 232 HB3 HIS 54 HB3 HIS 54 0.678 19.730 20.202 233 HD1 HIS 54 HD1 HIS 54 -2.646 19.073 18.510 234 HD2 HIS 54 HD2 HIS 54 1.474 19.268 17.624 235 HE1 HIS 54 HE1 HIS 54 -2.461 19.298 15.973 236 HA PRO 55 HA PRO 55 -2.409 14.307 20.893 237 HB2 PRO 55 HB3 PRO 55 -3.783 14.304 23.301 238 HB3 PRO 55 HB2 PRO 55 -2.108 13.845 23.283 239 HG2 PRO 55 HG3 PRO 55 -3.281 16.638 23.681 240 HG3 PRO 55 HG2 PRO 55 -2.342 15.784 24.810 241 HD2 PRO 55 HD3 PRO 55 -1.165 17.514 23.167 242 HD3 PRO 55 HD2 PRO 55 -0.355 15.920 23.314 243 H CYS 56 H CYS 56 -3.233 17.583 21.406 244 HA CYS 56 HA CYS 56 -6.080 17.173 20.911 245 HB2 CYS 56 HB3 CYS 56 -5.220 17.267 23.297 246 HB3 CYS 56 HB2 CYS 56 -5.105 19.025 22.978 247 H LYS 57 H LYS 57 -6.796 19.929 21.239 248 HA LYS 57 HA LYS 57 -5.293 21.470 19.179 249 HB2 LYS 57 HB2 LYS 57 -8.246 20.908 19.375 250 HB3 LYS 57 HB3 LYS 57 -7.625 22.179 18.332 251 HG2 LYS 57 HG2 LYS 57 -6.790 19.283 18.084 252 HG3 LYS 57 HG3 LYS 57 -8.050 20.066 17.097 253 HD2 LYS 57 HD2 LYS 57 -6.158 21.804 16.599 254 HD3 LYS 57 HD3 LYS 57 -5.055 20.518 17.110 255 HE2 LYS 57 HE2 LYS 57 -5.949 18.986 15.428 256 HE3 LYS 57 HE3 LYS 57 -7.222 20.133 14.996 257 HZ1 LYS 57 HZ1 LYS 57 -4.323 20.614 14.564 258 HZ2 LYS 57 HZ2 LYS 57 -5.396 20.210 13.406 259 HZ3 LYS 57 HZ3 LYS 57 -5.524 21.647 14.160 260 H CYS 58 H CYS 58 -5.444 21.538 22.102 261 HA CYS 58 HA CYS 58 -6.770 23.823 23.061 262 HB2 CYS 58 HB3 CYS 58 -4.065 23.243 24.147 263 HB3 CYS 58 HB2 CYS 58 -5.616 23.523 24.955 264 H ARG 59 H ARG 59 -4.463 23.886 20.604 265 HA ARG 59 HA ARG 59 -3.071 25.319 19.656 266 HB2 ARG 59 HB2 ARG 59 -5.568 26.293 19.756 267 HB3 ARG 59 HB3 ARG 59 -4.750 27.631 20.555 268 HG2 ARG 59 HG3 ARG 59 -3.290 27.918 18.564 269 HG3 ARG 59 HG2 ARG 59 -3.982 26.456 17.832 270 HD2 ARG 59 HD2 ARG 59 -6.197 27.515 17.776 271 HD3 ARG 59 HD3 ARG 59 -5.528 28.980 18.529 272 HE ARG 59 HE ARG 59 -4.015 28.404 16.186 273 HH11 ARG 59 HH12 ARG 59 -7.250 29.509 16.952 274 HH12 ARG 59 HH11 ARG 59 -7.418 30.356 15.437 275 HH21 ARG 59 HH22 ARG 59 -4.294 29.505 14.276 276 HH22 ARG 59 HH21 ARG 59 -5.783 30.349 13.967 277 H GLY 60 H GLY 60 -2.049 27.732 19.826 278 HA2 GLY 60 HA2 GLY 60 -0.325 28.943 20.722 279 HA3 GLY 60 HA3 GLY 60 -1.098 28.677 22.285 280 H SER 61 H SER 61 1.024 28.709 23.192 281 HA SER 61 HA SER 61 2.916 26.531 22.654 282 HB2 SER 61 HB2 SER 61 4.198 27.649 24.490 283 HB3 SER 61 HB3 SER 61 3.771 28.734 23.160 284 HG SER 61 HG SER 61 3.346 29.673 25.220 285 H ILE 62 H ILE 62 0.030 26.422 24.159 286 HA ILE 62 HA ILE 62 0.930 24.675 26.397 287 HB ILE 62 HB ILE 62 -1.143 25.242 27.562 288 HG12 ILE 62 HG12 ILE 62 -2.299 27.400 26.901 289 HG13 ILE 62 HG13 ILE 62 -1.610 27.233 25.294 290 HG21 ILE 62 HG21 ILE 62 -0.392 27.415 28.315 291 HG22 ILE 62 HG22 ILE 62 1.006 26.383 27.985 292 HG23 ILE 62 HG23 ILE 62 0.552 27.657 26.831 293 HD11 ILE 62 HD11 ILE 62 -3.416 25.165 26.644 294 HD12 ILE 62 HD12 ILE 62 -3.972 26.420 25.521 295 HD13 ILE 62 HD13 ILE 62 -2.879 25.155 24.946 296 H LYS 63 H LYS 63 0.048 24.121 23.410 297 HA LYS 63 HA LYS 63 -1.885 21.918 23.968 298 HB2 LYS 63 HB2 LYS 63 -2.053 21.690 21.607 299 HB3 LYS 63 HB3 LYS 63 -2.128 23.415 21.988 300 HG2 LYS 63 HG3 LYS 63 0.109 23.790 21.211 301 HG3 LYS 63 HG2 LYS 63 0.459 22.091 21.114 302 HD2 LYS 63 HD2 LYS 63 -1.355 21.906 19.319 303 HD3 LYS 63 HD3 LYS 63 -1.422 23.684 19.322 304 HE2 LYS 63 HE2 LYS 63 0.948 23.819 18.727 305 HE3 LYS 63 HE3 LYS 63 1.142 22.073 18.917 306 HZ1 LYS 63 HZ1 LYS 63 -0.324 21.736 17.018 307 HZ2 LYS 63 HZ2 LYS 63 -0.549 23.353 16.837 308 HZ3 LYS 63 HZ3 LYS 63 0.921 22.690 16.586 309 H TYR 64 H TYR 64 1.363 22.263 24.314 310 HA TYR 64 HA TYR 64 2.124 19.573 23.301 311 HB2 TYR 64 HB3 TYR 64 3.736 22.019 24.057 312 HB3 TYR 64 HB2 TYR 64 4.477 20.420 23.974 313 HD1 TYR 64 HD2 TYR 64 4.194 19.031 21.867 314 HD2 TYR 64 HD1 TYR 64 3.391 23.261 22.015 315 HE1 TYR 64 HE2 TYR 64 4.207 19.094 19.400 316 HE2 TYR 64 HE1 TYR 64 3.430 23.347 19.535 317 HH TYR 64 HH TYR 64 3.828 20.396 17.517 318 H MET 65 H MET 65 3.097 18.047 24.617 319 HA MET 65 HA MET 65 3.027 18.308 27.558 320 HB2 MET 65 HB2 MET 65 1.145 16.389 26.086 321 HB3 MET 65 HB3 MET 65 1.383 16.486 27.829 322 HG2 MET 65 HG2 MET 65 0.404 18.772 27.815 323 HG3 MET 65 HG3 MET 65 0.150 18.633 26.072 324 HE1 MET 65 HE1 MET 65 -1.279 17.935 29.562 325 HE2 MET 65 HE2 MET 65 -2.291 16.493 29.323 326 HE3 MET 65 HE3 MET 65 -0.520 16.362 29.234 327 H HIS 66 H HIS 66 4.378 16.771 28.502 328 HA HIS 66 HA HIS 66 6.027 15.000 26.844 329 HB2 HIS 66 HB2 HIS 66 5.566 15.021 29.838 330 HB3 HIS 66 HB3 HIS 66 6.746 14.127 28.944 331 HD2 HIS 66 HD2 HIS 66 8.428 16.027 27.322 332 HE1 HIS 66 HE1 HIS 66 8.422 18.854 30.459 333 HE2 HIS 66 HE2 HIS 66 9.658 18.085 28.369 334 H GLU 67 H GLU 67 5.988 12.573 26.969 335 HA GLU 67 HA GLU 67 3.339 11.426 26.750 336 HB2 GLU 67 HB2 GLU 67 5.591 10.433 25.893 337 HB3 GLU 67 HB3 GLU 67 5.790 9.835 27.558 338 HG2 GLU 67 HG2 GLU 67 3.495 8.761 27.339 339 HG3 GLU 67 HG3 GLU 67 3.551 9.165 25.621 340 H SER 68 H SER 68 5.733 11.491 29.383 341 HA SER 68 HA SER 68 4.352 10.063 31.372 342 HB2 SER 68 HB2 SER 68 5.739 11.462 32.923 343 HB3 SER 68 HB3 SER 68 6.651 10.615 31.649 344 HG SER 68 HG SER 68 7.152 12.927 32.082 345 H CYS 69 H CYS 69 4.427 13.641 30.998 346 HA CYS 69 HA CYS 69 2.494 14.197 33.030 347 HB2 CYS 69 HB2 CYS 69 3.416 15.735 30.536 348 HB3 CYS 69 HB3 CYS 69 2.499 16.438 31.869 349 H LEU 70 H LEU 70 1.986 13.535 29.475 350 HA LEU 70 HA LEU 70 -0.834 14.199 29.655 351 HB2 LEU 70 HB2 LEU 70 0.196 14.039 27.431 352 HB3 LEU 70 HB3 LEU 70 0.686 12.366 27.737 353 HG LEU 70 HG LEU 70 -1.728 11.704 27.763 354 HD11 LEU 70 HD11 LEU 70 -3.408 13.381 27.082 355 HD12 LEU 70 HD12 LEU 70 -2.688 13.835 28.609 356 HD13 LEU 70 HD13 LEU 70 -2.160 14.635 27.094 357 HD21 LEU 70 HD21 LEU 70 -2.195 12.155 25.387 358 HD22 LEU 70 HD22 LEU 70 -0.927 13.405 25.382 359 HD23 LEU 70 HD23 LEU 70 -0.509 11.687 25.658 360 H LEU 71 H LEU 71 0.994 11.147 29.969 361 HA LEU 71 HA LEU 71 -1.145 9.380 30.277 362 HB2 LEU 71 HB3 LEU 71 1.189 9.008 29.647 363 HB3 LEU 71 HB2 LEU 71 1.737 9.437 31.257 364 HG LEU 71 HG LEU 71 0.756 7.398 32.146 365 HD11 LEU 71 HD11 LEU 71 -1.076 7.013 30.529 366 HD12 LEU 71 HD12 LEU 71 0.108 6.803 29.217 367 HD13 LEU 71 HD13 LEU 71 0.019 5.621 30.543 368 HD21 LEU 71 HD21 LEU 71 2.611 7.154 29.711 369 HD22 LEU 71 HD22 LEU 71 3.100 7.538 31.359 370 HD23 LEU 71 HD23 LEU 71 2.453 5.922 30.996 371 H GLU 72 H GLU 72 0.538 11.382 32.531 372 HA GLU 72 HA GLU 72 -0.594 10.475 35.083 373 HB2 GLU 72 HB3 GLU 72 0.922 12.796 34.018 374 HB3 GLU 72 HB2 GLU 72 0.486 12.887 35.623 375 HG2 GLU 72 HG2 GLU 72 2.138 10.537 34.609 376 HG3 GLU 72 HG3 GLU 72 2.840 12.024 35.254 377 H TRP 73 H TRP 73 -1.188 13.138 32.733 378 HA TRP 73 HA TRP 73 -3.080 14.559 34.381 379 HB2 TRP 73 HB2 TRP 73 -1.774 15.526 32.562 380 HB3 TRP 73 HB3 TRP 73 -2.647 14.567 31.380 381 HD1 TRP 73 HD1 TRP 73 -3.288 17.374 33.971 382 HE1 TRP 73 HE1 TRP 73 -5.042 18.985 33.008 383 HE3 TRP 73 HE3 TRP 73 -4.538 14.748 29.778 384 HZ2 TRP 73 HZ2 TRP 73 -6.567 19.239 30.548 385 HZ3 TRP 73 HZ3 TRP 73 -6.136 15.675 28.149 386 HH2 TRP 73 HH2 TRP 73 -7.105 17.951 28.477 387 H VAL 74 H VAL 74 -3.580 12.324 31.540 388 HA VAL 74 HA VAL 74 -6.438 12.122 31.940 389 HB VAL 74 HB VAL 74 -6.368 10.077 30.641 390 HG11 VAL 74 HG11 VAL 74 -4.438 12.088 29.429 391 HG12 VAL 74 HG12 VAL 74 -5.506 10.961 28.573 392 HG13 VAL 74 HG13 VAL 74 -6.202 12.292 29.505 393 HG21 VAL 74 HG21 VAL 74 -4.230 9.173 29.723 394 HG22 VAL 74 HG22 VAL 74 -3.339 10.183 30.873 395 HG23 VAL 74 HG23 VAL 74 -4.417 8.908 31.454 396 H ALA 75 H ALA 75 -3.732 10.564 33.571 397 HA ALA 75 HA ALA 75 -5.385 8.662 35.053 398 HB1 ALA 75 HB1 ALA 75 -3.009 8.226 34.793 399 HB2 ALA 75 HB2 ALA 75 -2.587 9.746 35.600 400 HB3 ALA 75 HB3 ALA 75 -3.377 8.449 36.511 401 H SER 76 H SER 76 -4.229 12.034 35.651 402 HA SER 76 HA SER 76 -5.320 12.252 38.313 403 HB2 SER 76 HB2 SER 76 -4.736 14.433 36.270 404 HB3 SER 76 HB3 SER 76 -5.083 14.683 37.985 405 HG SER 76 HG SER 76 -2.910 13.192 36.897 406 H LYS 77 H LYS 77 -6.893 12.462 35.149 407 HA LYS 77 HA LYS 77 -9.316 13.795 35.991 408 HB2 LYS 77 HB3 LYS 77 -8.518 12.043 33.610 409 HB3 LYS 77 HB2 LYS 77 -9.958 12.987 33.699 410 HG2 LYS 77 HG2 LYS 77 -7.290 14.320 33.910 411 HG3 LYS 77 HG3 LYS 77 -7.982 13.896 32.339 412 HD2 LYS 77 HD2 LYS 77 -9.961 15.281 32.844 413 HD3 LYS 77 HD3 LYS 77 -9.242 15.724 34.417 414 HE2 LYS 77 HE2 LYS 77 -7.270 16.668 33.218 415 HE3 LYS 77 HE3 LYS 77 -8.021 16.266 31.669 416 HZ1 LYS 77 HZ1 LYS 77 -8.416 18.587 32.303 417 HZ2 LYS 77 HZ2 LYS 77 -9.838 17.797 32.196 418 HZ3 LYS 77 HZ3 LYS 77 -9.194 18.129 33.666 419 H ASN 78 H ASN 78 -8.141 10.746 36.787 420 HA ASN 78 HA ASN 78 -9.063 8.899 37.707 421 HB2 ASN 78 HB3 ASN 78 -9.831 10.339 39.347 422 HB3 ASN 78 HB2 ASN 78 -11.051 11.071 38.354 423 HD21 ASN 78 HD22 ASN 78 -13.042 10.542 38.689 424 HD22 ASN 78 HD21 ASN 78 -13.603 9.086 39.515 425 H ILE 79 H ILE 79 -9.054 8.773 35.030 426 HA ILE 79 HA ILE 79 -11.429 7.089 34.458 427 HB ILE 79 HB ILE 79 -10.461 8.678 32.136 428 HG12 ILE 79 HG12 ILE 79 -12.137 10.051 34.273 429 HG13 ILE 79 HG13 ILE 79 -10.498 10.461 33.751 430 HG21 ILE 79 HG21 ILE 79 -12.858 8.526 31.549 431 HG22 ILE 79 HG22 ILE 79 -12.242 6.946 32.031 432 HG23 ILE 79 HG23 ILE 79 -13.229 7.899 33.163 433 HD11 ILE 79 HD11 ILE 79 -12.966 10.764 32.038 434 HD12 ILE 79 HD12 ILE 79 -11.973 12.034 32.782 435 HD13 ILE 79 HD13 ILE 79 -11.279 11.026 31.506 436 H ASP 80 H ASP 80 -10.884 5.149 33.670 437 HA ASP 80 HA ASP 80 -8.086 4.565 33.023 438 HB2 ASP 80 HB3 ASP 80 -9.449 3.069 34.417 439 HB3 ASP 80 HB2 ASP 80 -10.515 2.745 33.050 440 H ILE 81 H ILE 81 -7.376 5.177 31.112 441 HA ILE 81 HA ILE 81 -8.862 5.543 28.715 442 HB ILE 81 HB ILE 81 -6.652 5.717 27.621 443 HG12 ILE 81 HG12 ILE 81 -5.443 5.088 30.357 444 HG13 ILE 81 HG13 ILE 81 -5.441 3.986 28.978 445 HG21 ILE 81 HG21 ILE 81 -5.996 7.738 28.880 446 HG22 ILE 81 HG22 ILE 81 -7.743 7.590 28.695 447 HG23 ILE 81 HG23 ILE 81 -6.982 7.209 30.257 448 HD11 ILE 81 HD11 ILE 81 -4.170 5.697 27.653 449 HD12 ILE 81 HD12 ILE 81 -4.030 6.674 29.135 450 HD13 ILE 81 HD13 ILE 81 -3.302 5.063 29.067 451 H SER 82 H SER 82 -7.673 2.598 30.086 452 HA SER 82 HA SER 82 -7.418 1.178 27.551 453 HB2 SER 82 HB3 SER 82 -6.160 0.692 29.698 454 HB3 SER 82 HB2 SER 82 -7.670 0.041 30.359 455 HG SER 82 HG SER 82 -6.300 -1.573 29.413 456 H LYS 83 H LYS 83 -10.093 2.005 29.630 457 HA LYS 83 HA LYS 83 -11.729 -0.321 28.882 458 HB2 LYS 83 HB2 LYS 83 -12.436 2.200 30.433 459 HB3 LYS 83 HB3 LYS 83 -13.520 0.833 30.197 460 HG2 LYS 83 HG2 LYS 83 -10.866 0.749 31.672 461 HG3 LYS 83 HG3 LYS 83 -12.478 0.790 32.394 462 HD2 LYS 83 HD2 LYS 83 -12.990 -1.416 31.338 463 HD3 LYS 83 HD3 LYS 83 -11.320 -1.481 30.720 464 HE2 LYS 83 HE2 LYS 83 -10.453 -1.296 33.035 465 HE3 LYS 83 HE3 LYS 83 -12.107 -1.245 33.657 466 HZ1 LYS 83 HZ1 LYS 83 -11.186 -3.487 33.782 467 HZ2 LYS 83 HZ2 LYS 83 -12.447 -3.484 32.748 468 HZ3 LYS 83 HZ3 LYS 83 -10.916 -3.531 32.174 469 HA PRO 84 HA PRO 84 -13.678 1.689 25.422 470 HB2 PRO 84 HB3 PRO 84 -15.407 -0.249 24.615 471 HB3 PRO 84 HB2 PRO 84 -13.642 -0.546 24.648 472 HG2 PRO 84 HG3 PRO 84 -15.691 -1.269 26.784 473 HG3 PRO 84 HG2 PRO 84 -14.464 -2.341 26.035 474 HD2 PRO 84 HD3 PRO 84 -14.081 -0.984 28.432 475 HD3 PRO 84 HD2 PRO 84 -12.750 -1.432 27.332 476 H GLY 85 H GLY 85 -14.907 1.655 28.264 477 HA2 GLY 85 HA2 GLY 85 -17.666 2.673 27.686 478 HA3 GLY 85 HA3 GLY 85 -17.089 2.101 29.257 479 H ALA 86 H ALA 86 -15.026 4.150 27.329 480 HA ALA 86 HA ALA 86 -15.720 6.593 28.889 481 HB1 ALA 86 HB1 ALA 86 -13.341 6.928 29.420 482 HB2 ALA 86 HB2 ALA 86 -13.907 5.388 30.082 483 HB3 ALA 86 HB3 ALA 86 -12.921 5.407 28.604 484 H ASP 87 H ASP 87 -14.710 8.518 28.085 485 HA ASP 87 HA ASP 87 -13.947 8.645 25.217 486 HB2 ASP 87 HB3 ASP 87 -16.407 8.918 25.357 487 HB3 ASP 87 HB2 ASP 87 -16.204 10.225 26.524 488 H VAL 88 H VAL 88 -12.110 8.696 27.006 489 HA VAL 88 HA VAL 88 -11.608 11.044 28.507 490 HB VAL 88 HB VAL 88 -9.485 9.123 27.444 491 HG11 VAL 88 HG11 VAL 88 -9.583 10.953 29.891 492 HG12 VAL 88 HG12 VAL 88 -8.316 9.762 29.555 493 HG13 VAL 88 HG13 VAL 88 -8.525 11.138 28.474 494 HG21 VAL 88 HG21 VAL 88 -11.128 7.746 28.548 495 HG22 VAL 88 HG22 VAL 88 -9.791 7.966 29.673 496 HG23 VAL 88 HG23 VAL 88 -11.280 8.911 29.883 497 H LYS 89 H LYS 89 -11.604 12.942 27.836 498 HA LYS 89 HA LYS 89 -9.483 13.792 26.045 499 HB2 LYS 89 HB3 LYS 89 -10.755 14.753 24.534 500 HB3 LYS 89 HB2 LYS 89 -11.407 13.177 24.572 501 HG2 LYS 89 HG2 LYS 89 -13.023 14.975 26.211 502 HG3 LYS 89 HG3 LYS 89 -12.599 15.752 24.680 503 HD2 LYS 89 HD2 LYS 89 -13.345 13.250 23.760 504 HD3 LYS 89 HD3 LYS 89 -14.376 13.418 25.187 505 HE2 LYS 89 HE3 LYS 89 -15.181 15.599 24.259 506 HE3 LYS 89 HE2 LYS 89 -14.151 15.338 22.834 507 HZ1 LYS 89 HZ1 LYS 89 -16.190 13.346 23.670 508 HZ2 LYS 89 HZ2 LYS 89 -16.557 14.575 22.630 509 HZ3 LYS 89 HZ3 LYS 89 -15.437 13.442 22.242 510 H CYS 90 H CYS 90 -9.786 16.213 25.546 511 HA CYS 90 HA CYS 90 -9.090 17.531 27.922 512 HB2 CYS 90 HB2 CYS 90 -8.184 17.722 25.626 513 HB3 CYS 90 HB3 CYS 90 -9.624 18.620 25.134 514 H ASP 91 H ASP 91 -9.741 19.815 28.253 515 HA ASP 91 HA ASP 91 -12.687 20.313 28.379 516 HB2 ASP 91 HB2 ASP 91 -10.674 20.680 30.634 517 HB3 ASP 91 HB3 ASP 91 -12.344 21.233 30.674 518 H ILE 92 H ILE 92 -9.646 21.467 27.404 519 HA ILE 92 HA ILE 92 -10.155 24.345 27.820 520 HB ILE 92 HB ILE 92 -8.066 22.899 26.124 521 HG12 ILE 92 HG12 ILE 92 -7.821 24.105 28.925 522 HG13 ILE 92 HG13 ILE 92 -7.872 22.382 28.556 523 HG21 ILE 92 HG21 ILE 92 -6.873 25.089 26.117 524 HG22 ILE 92 HG22 ILE 92 -8.410 25.156 25.288 525 HG23 ILE 92 HG23 ILE 92 -8.264 25.829 26.934 526 HD11 ILE 92 HD11 ILE 92 -5.638 24.293 27.805 527 HD12 ILE 92 HD12 ILE 92 -5.596 22.951 28.954 528 HD13 ILE 92 HD13 ILE 92 -5.773 22.613 27.223 529 H CYS 93 H CYS 93 -9.558 22.349 24.975 530 HA CYS 93 HA CYS 93 -11.249 23.908 23.153 531 HB2 CYS 93 HB3 CYS 93 -9.591 22.842 21.557 532 HB3 CYS 93 HB2 CYS 93 -8.800 23.657 22.848 533 H HIS 94 H HIS 94 -11.213 21.083 25.012 534 HA HIS 94 HA HIS 94 -12.336 19.216 25.257 535 HB2 HIS 94 HB3 HIS 94 -14.222 20.875 25.167 536 HB3 HIS 94 HB2 HIS 94 -14.524 20.343 23.512 537 HD1 HIS 94 HD1 HIS 94 -13.842 18.136 26.678 538 HD2 HIS 94 HD2 HIS 94 -16.703 18.914 23.683 539 HE1 HIS 94 HE1 HIS 94 -15.740 16.479 27.052 540 H TYR 95 H TYR 95 -10.512 19.433 22.835 541 HA TYR 95 HA TYR 95 -11.591 17.552 20.944 542 HB2 TYR 95 HB2 TYR 95 -8.930 18.882 21.343 543 HB3 TYR 95 HB3 TYR 95 -8.966 17.418 20.409 544 HD1 TYR 95 HD2 TYR 95 -10.650 20.723 20.818 545 HD2 TYR 95 HD1 TYR 95 -9.653 17.540 18.111 546 HE1 TYR 95 HE2 TYR 95 -11.634 22.042 18.975 547 HE2 TYR 95 HE1 TYR 95 -10.665 18.842 16.220 548 HH TYR 95 HH TYR 95 -11.711 20.782 15.588 549 HA PRO 96 HA PRO 96 -10.533 13.652 22.906 550 HB2 PRO 96 HB3 PRO 96 -10.019 12.658 20.147 551 HB3 PRO 96 HB2 PRO 96 -11.098 11.999 21.432 552 HG2 PRO 96 HG3 PRO 96 -12.133 13.351 19.314 553 HG3 PRO 96 HG2 PRO 96 -12.773 13.583 20.984 554 HD2 PRO 96 HD3 PRO 96 -10.752 15.254 19.537 555 HD3 PRO 96 HD2 PRO 96 -12.280 15.779 20.322 556 H ILE 97 H ILE 97 -8.758 12.816 23.689 557 HA ILE 97 HA ILE 97 -6.203 14.045 22.970 558 HB ILE 97 HB ILE 97 -7.245 12.343 25.183 559 HG12 ILE 97 HG12 ILE 97 -7.707 14.841 25.050 560 HG13 ILE 97 HG13 ILE 97 -7.054 14.227 26.567 561 HG21 ILE 97 HG21 ILE 97 -5.034 11.439 24.894 562 HG22 ILE 97 HG22 ILE 97 -4.338 13.066 25.006 563 HG23 ILE 97 HG23 ILE 97 -5.198 12.345 26.389 564 HD11 ILE 97 HD11 ILE 97 -5.447 15.552 24.378 565 HD12 ILE 97 HD12 ILE 97 -6.139 16.406 25.772 566 HD13 ILE 97 HD13 ILE 97 -4.873 15.177 26.020 567 H GLN 98 H GLN 98 -4.735 13.250 21.781 568 HA GLN 98 HA GLN 98 -4.743 10.383 20.892 569 HB2 GLN 98 HB2 GLN 98 -3.871 12.936 19.479 570 HB3 GLN 98 HB3 GLN 98 -3.738 11.315 18.801 571 HG2 GLN 98 HG2 GLN 98 -6.044 11.102 18.459 572 HG3 GLN 98 HG3 GLN 98 -6.474 12.274 19.698 573 HE21 GLN 98 HE22 GLN 98 -5.930 14.606 19.292 574 HE22 GLN 98 HE21 GLN 98 -6.034 15.152 17.616 575 H PHE 99 H PHE 99 -3.444 9.510 22.352 576 HA PHE 99 HA PHE 99 -1.057 10.500 23.436 577 HB2 PHE 99 HB2 PHE 99 -1.800 7.601 22.882 578 HB3 PHE 99 HB3 PHE 99 -0.693 8.198 24.105 579 HD1 PHE 99 HD2 PHE 99 -1.593 9.551 26.068 580 HD2 PHE 99 HD1 PHE 99 -4.182 7.517 23.282 581 HE1 PHE 99 HE2 PHE 99 -3.502 9.854 27.618 582 HE2 PHE 99 HE1 PHE 99 -6.089 7.811 24.842 583 HZ PHE 99 HZ PHE 99 -5.767 8.997 27.000 584 H LYS 100 H LYS 100 1.023 10.635 22.771 585 HA LYS 100 HA LYS 100 2.839 10.755 21.475 586 HB2 LYS 100 HB3 LYS 100 2.397 8.135 21.955 587 HB3 LYS 100 HB2 LYS 100 2.265 8.093 20.206 588 HG2 LYS 100 HG2 LYS 100 4.493 7.557 20.719 589 HG3 LYS 100 HG3 LYS 100 4.575 9.223 20.141 590 HD2 LYS 100 HD2 LYS 100 4.752 10.048 22.464 591 HD3 LYS 100 HD3 LYS 100 4.560 8.385 23.066 592 HE2 LYS 100 HE2 LYS 100 6.600 7.714 21.790 593 HE3 LYS 100 HE3 LYS 100 6.821 9.391 21.271 594 HZ1 LYS 100 HZ1 LYS 100 8.158 8.795 23.250 595 HZ2 LYS 100 HZ2 LYS 100 7.104 10.005 23.605 596 HZ3 LYS 100 HZ3 LYS 100 6.794 8.474 24.101 597 H THR 101 H THR 101 3.597 9.953 18.966 598 HA THR 101 HA THR 101 1.717 10.955 16.951 599 HB THR 101 HB THR 101 2.672 13.007 17.838 600 HG1 THR 101 HG1 THR 101 3.345 13.806 15.861 601 HG21 THR 101 HG21 THR 101 4.908 12.194 18.599 602 HG22 THR 101 HG22 THR 101 5.406 12.045 16.898 603 HG23 THR 101 HG23 THR 101 4.996 13.632 17.575 Start of MODEL 4 1 H1 VAL 19 H1 VAL 19 2.476 60.664 8.119 2 H2 VAL 19 H2 VAL 19 1.677 62.002 8.611 3 H3 VAL 19 H3 VAL 19 1.987 61.760 7.016 4 HA VAL 19 HA VAL 19 0.233 60.072 8.677 5 HB VAL 19 HB VAL 19 -1.639 60.881 7.282 6 HG11 VAL 19 HG11 VAL 19 -0.271 63.114 8.838 7 HG12 VAL 19 HG12 VAL 19 -1.998 62.944 8.482 8 HG13 VAL 19 HG13 VAL 19 -1.209 61.776 9.551 9 HG21 VAL 19 HG21 VAL 19 -0.391 61.804 5.328 10 HG22 VAL 19 HG22 VAL 19 -1.515 62.963 6.045 11 HG23 VAL 19 HG23 VAL 19 0.219 63.123 6.359 12 H ALA 20 H ALA 20 -0.929 58.428 7.565 13 HA ALA 20 HA ALA 20 -0.099 57.625 4.857 14 HB1 ALA 20 HB1 ALA 20 0.800 55.442 5.610 15 HB2 ALA 20 HB2 ALA 20 1.748 56.772 6.286 16 HB3 ALA 20 HB3 ALA 20 0.569 55.919 7.306 17 H ASN 21 H ASN 21 -1.141 55.520 4.233 18 HA ASN 21 HA ASN 21 -3.567 54.691 5.647 19 HB2 ASN 21 HB2 ASN 21 -5.074 55.141 3.816 20 HB3 ASN 21 HB3 ASN 21 -4.303 56.652 4.261 21 HD21 ASN 21 HD22 ASN 21 -4.987 54.521 1.654 22 HD22 ASN 21 HD21 ASN 21 -3.956 55.317 0.475 23 H GLU 22 H GLU 22 -4.461 52.709 4.741 24 HA GLU 22 HA GLU 22 -2.714 51.172 2.872 25 HB2 GLU 22 HB3 GLU 22 -3.495 50.276 5.679 26 HB3 GLU 22 HB2 GLU 22 -2.777 49.234 4.449 27 HG2 GLU 22 HG2 GLU 22 -0.771 50.714 4.378 28 HG3 GLU 22 HG3 GLU 22 -1.448 51.668 5.703 29 H GLU 23 H GLU 23 -3.615 49.166 2.197 30 HA GLU 23 HA GLU 23 -6.506 48.657 2.447 31 HB2 GLU 23 HB3 GLU 23 -6.269 50.409 0.656 32 HB3 GLU 23 HB2 GLU 23 -5.273 49.284 -0.271 33 HG2 GLU 23 HG2 GLU 23 -7.175 47.735 -0.480 34 HG3 GLU 23 HG3 GLU 23 -8.150 48.745 0.593 35 H THR 24 H THR 24 -3.358 47.701 1.261 36 HA THR 24 HA THR 24 -3.946 45.080 0.274 37 HB THR 24 HB THR 24 -1.418 44.878 0.398 38 HG1 THR 24 HG1 THR 24 -0.301 46.742 0.965 39 HG21 THR 24 HG21 THR 24 -2.559 45.805 -1.599 40 HG22 THR 24 HG22 THR 24 -2.436 47.436 -0.907 41 HG23 THR 24 HG23 THR 24 -0.967 46.528 -1.322 42 H ASP 25 H ASP 25 -2.157 43.409 1.278 43 HA ASP 25 HA ASP 25 -2.492 43.020 4.175 44 HB2 ASP 25 HB3 ASP 25 -3.556 40.883 4.063 45 HB3 ASP 25 HB2 ASP 25 -4.569 42.034 3.212 46 H THR 26 H THR 26 -1.194 41.219 5.006 47 HA THR 26 HA THR 26 0.881 40.070 3.278 48 HB THR 26 HB THR 26 2.721 40.813 4.810 49 HG1 THR 26 HG1 THR 26 0.874 42.785 5.653 50 HG21 THR 26 HG21 THR 26 1.391 43.196 3.470 51 HG22 THR 26 HG22 THR 26 3.100 43.011 3.914 52 HG23 THR 26 HG23 THR 26 2.404 41.988 2.645 53 H ALA 27 H ALA 27 -0.734 40.119 6.309 54 HA ALA 27 HA ALA 27 0.782 38.100 7.647 55 HB1 ALA 27 HB1 ALA 27 -2.041 39.144 8.139 56 HB2 ALA 27 HB2 ALA 27 -1.070 38.185 9.276 57 HB3 ALA 27 HB3 ALA 27 -0.539 39.814 8.817 58 H THR 28 H THR 28 0.637 36.021 7.711 59 HA THR 28 HA THR 28 -1.688 34.434 6.769 60 HB THR 28 HB THR 28 1.160 33.950 5.780 61 HG1 THR 28 HG1 THR 28 0.344 34.481 3.775 62 HG21 THR 28 HG21 THR 28 -0.057 31.828 6.012 63 HG22 THR 28 HG22 THR 28 -1.462 32.511 5.160 64 HG23 THR 28 HG23 THR 28 0.075 32.247 4.305 65 H PHE 29 H PHE 29 -1.970 32.603 8.032 66 HA PHE 29 HA PHE 29 0.156 31.417 9.625 67 HB2 PHE 29 HB2 PHE 29 -0.432 33.409 11.000 68 HB3 PHE 29 HB3 PHE 29 -2.120 32.927 10.986 69 HD1 PHE 29 HD1 PHE 29 1.286 31.596 11.933 70 HD2 PHE 29 HD2 PHE 29 -2.937 31.675 12.816 71 HE1 PHE 29 HE1 PHE 29 1.675 30.184 13.942 72 HE2 PHE 29 HE2 PHE 29 -2.541 30.275 14.826 73 HZ PHE 29 HZ PHE 29 -0.238 29.528 15.392 74 H ASN 30 H ASN 30 -0.700 29.613 10.958 75 HA ASN 30 HA ASN 30 -3.364 28.558 10.431 76 HB2 ASN 30 HB3 ASN 30 -2.152 27.791 8.405 77 HB3 ASN 30 HB2 ASN 30 -0.922 27.024 9.404 78 HD21 ASN 30 HD22 ASN 30 -4.410 26.980 8.594 79 HD22 ASN 30 HD21 ASN 30 -4.633 25.290 9.029 80 H ASP 31 H ASP 31 -0.256 27.013 11.419 81 HA ASP 31 HA ASP 31 -1.174 26.904 14.244 82 HB2 ASP 31 HB3 ASP 31 -1.853 24.851 12.997 83 HB3 ASP 31 HB2 ASP 31 -0.163 24.571 12.564 84 H ASP 32 H ASP 32 0.464 26.710 15.792 85 HA ASP 32 HA ASP 32 3.037 27.873 14.992 86 HB2 ASP 32 HB2 ASP 32 1.610 28.779 16.798 87 HB3 ASP 32 HB3 ASP 32 1.861 27.304 17.736 88 H ALA 33 H ALA 33 5.009 27.287 16.022 89 HA ALA 33 HA ALA 33 5.562 24.540 16.897 90 HB1 ALA 33 HB1 ALA 33 5.573 24.283 14.455 91 HB2 ALA 33 HB2 ALA 33 6.670 25.675 14.297 92 HB3 ALA 33 HB3 ALA 33 7.234 24.190 15.097 93 HA PRO 34 HA PRO 34 7.915 27.915 18.954 94 HB2 PRO 34 HB3 PRO 34 8.100 25.890 21.116 95 HB3 PRO 34 HB2 PRO 34 7.615 27.586 21.221 96 HG2 PRO 34 HG3 PRO 34 5.885 25.385 21.393 97 HG3 PRO 34 HG2 PRO 34 5.367 26.948 20.774 98 HD2 PRO 34 HD3 PRO 34 6.099 24.478 19.264 99 HD3 PRO 34 HD2 PRO 34 4.915 25.755 18.841 100 H SER 35 H SER 35 10.039 28.149 19.214 101 HA SER 35 HA SER 35 11.920 26.276 18.457 102 HB2 SER 35 HB2 SER 35 12.443 28.816 20.057 103 HB3 SER 35 HB3 SER 35 13.681 27.873 19.209 104 HG SER 35 HG SER 35 11.612 29.469 18.141 105 H GLY 36 H GLY 36 11.206 24.541 19.619 106 HA2 GLY 36 HA2 GLY 36 12.520 22.806 20.853 107 HA3 GLY 36 HA3 GLY 36 12.646 23.967 22.190 108 H ALA 37 H ALA 37 10.197 25.047 22.386 109 HA ALA 37 HA ALA 37 8.128 24.929 23.157 110 HB1 ALA 37 HB1 ALA 37 6.543 23.340 22.538 111 HB2 ALA 37 HB2 ALA 37 7.559 23.665 21.139 112 HB3 ALA 37 HB3 ALA 37 7.784 22.148 22.059 113 H THR 38 H THR 38 6.802 23.201 24.655 114 HA THR 38 HA THR 38 8.437 22.002 26.645 115 HB THR 38 HB THR 38 7.815 23.326 28.620 116 HG1 THR 38 HG1 THR 38 7.157 25.342 26.752 117 HG21 THR 38 HG21 THR 38 9.600 24.864 28.528 118 HG22 THR 38 HG22 THR 38 10.058 23.508 27.467 119 HG23 THR 38 HG23 THR 38 9.487 25.030 26.761 120 H CYS 39 H CYS 39 7.241 21.245 28.523 121 HA CYS 39 HA CYS 39 4.538 20.296 27.768 122 HB2 CYS 39 HB3 CYS 39 5.976 18.620 28.660 123 HB3 CYS 39 HB2 CYS 39 6.455 19.519 30.015 124 H ARG 40 H ARG 40 2.692 21.296 28.366 125 HA ARG 40 HA ARG 40 2.595 23.509 30.198 126 HB2 ARG 40 HB2 ARG 40 0.350 23.600 29.649 127 HB3 ARG 40 HB3 ARG 40 1.185 23.049 28.210 128 HG2 ARG 40 HG2 ARG 40 -0.160 21.266 28.106 129 HG3 ARG 40 HG3 ARG 40 0.523 20.653 29.583 130 HD2 ARG 40 HD3 ARG 40 -1.961 22.353 29.230 131 HD3 ARG 40 HD2 ARG 40 -1.763 20.702 29.833 132 HE ARG 40 HE ARG 40 -0.368 22.441 31.582 133 HH11 ARG 40 HH12 ARG 40 -3.706 21.720 30.807 134 HH12 ARG 40 HH11 ARG 40 -4.265 22.269 32.364 135 HH21 ARG 40 HH21 ARG 40 -1.111 23.040 33.525 136 HH22 ARG 40 HH22 ARG 40 -2.812 22.966 33.889 137 H ILE 41 H ILE 41 2.828 20.230 30.956 138 HA ILE 41 HA ILE 41 1.375 20.522 33.531 139 HB ILE 41 HB ILE 41 2.450 18.077 32.096 140 HG12 ILE 41 HG12 ILE 41 -0.446 18.603 32.824 141 HG13 ILE 41 HG13 ILE 41 0.237 19.120 31.288 142 HG21 ILE 41 HG21 ILE 41 1.365 16.765 33.996 143 HG22 ILE 41 HG22 ILE 41 2.708 17.727 34.538 144 HG23 ILE 41 HG23 ILE 41 1.049 18.300 34.817 145 HD11 ILE 41 HD11 ILE 41 -0.881 16.842 31.270 146 HD12 ILE 41 HD12 ILE 41 0.743 16.939 30.584 147 HD13 ILE 41 HD13 ILE 41 0.509 16.201 32.169 148 H CYS 42 H CYS 42 4.507 19.278 32.166 149 HA CYS 42 HA CYS 42 5.611 19.265 34.914 150 HB2 CYS 42 HB3 CYS 42 6.870 18.265 32.362 151 HB3 CYS 42 HB2 CYS 42 7.242 17.785 34.017 152 H ARG 43 H ARG 43 5.781 21.372 32.179 153 HA ARG 43 HA ARG 43 7.294 22.858 31.400 154 HB2 ARG 43 HB2 ARG 43 7.563 23.436 34.357 155 HB3 ARG 43 HB3 ARG 43 8.334 24.411 33.102 156 HG2 ARG 43 HG2 ARG 43 5.331 23.894 33.284 157 HG3 ARG 43 HG3 ARG 43 6.153 25.346 33.859 158 HD2 ARG 43 HD2 ARG 43 6.891 25.881 31.563 159 HD3 ARG 43 HD3 ARG 43 6.113 24.413 30.952 160 HE ARG 43 HE ARG 43 4.302 26.179 32.392 161 HH11 ARG 43 HH12 ARG 43 5.618 25.516 29.161 162 HH12 ARG 43 HH11 ARG 43 4.243 26.242 28.398 163 HH21 ARG 43 HH22 ARG 43 2.615 27.089 31.293 164 HH22 ARG 43 HH21 ARG 43 2.615 27.122 29.555 165 H GLY 44 H GLY 44 8.135 21.282 30.561 166 HA2 GLY 44 HA2 GLY 44 11.024 20.882 30.979 167 HA3 GLY 44 HA3 GLY 44 10.136 19.378 30.779 168 H GLU 45 H GLU 45 12.156 20.895 29.144 169 HA GLU 45 HA GLU 45 10.813 21.622 26.650 170 HB2 GLU 45 HB2 GLU 45 13.744 20.967 27.034 171 HB3 GLU 45 HB3 GLU 45 13.007 22.041 25.848 172 HG2 GLU 45 HG3 GLU 45 13.714 23.691 27.215 173 HG3 GLU 45 HG2 GLU 45 12.276 23.325 28.163 174 H ALA 46 H ALA 46 11.054 20.554 24.672 175 HA ALA 46 HA ALA 46 10.821 17.645 24.857 176 HB1 ALA 46 HB1 ALA 46 9.801 18.593 22.889 177 HB2 ALA 46 HB2 ALA 46 11.358 19.301 22.370 178 HB3 ALA 46 HB3 ALA 46 11.118 17.533 22.406 179 H THR 47 H THR 47 12.308 16.191 25.164 180 HA THR 47 HA THR 47 15.161 16.721 24.456 181 HB THR 47 HB THR 47 15.832 15.084 25.983 182 HG1 THR 47 HG1 THR 47 14.264 13.926 27.198 183 HG21 THR 47 HG21 THR 47 15.068 17.267 26.970 184 HG22 THR 47 HG22 THR 47 13.531 16.463 27.385 185 HG23 THR 47 HG23 THR 47 15.060 15.884 28.085 186 H GLU 48 H GLU 48 15.746 13.779 24.526 187 HA GLU 48 HA GLU 48 14.727 12.928 21.878 188 HB2 GLU 48 HB2 GLU 48 17.469 12.808 23.134 189 HB3 GLU 48 HB3 GLU 48 17.054 11.965 21.627 190 HG2 GLU 48 HG2 GLU 48 16.522 14.164 20.559 191 HG3 GLU 48 HG3 GLU 48 17.075 14.992 22.016 192 H ASP 49 H ASP 49 14.312 12.450 24.778 193 HA ASP 49 HA ASP 49 14.018 9.479 24.831 194 HB2 ASP 49 HB3 ASP 49 16.231 9.999 25.896 195 HB3 ASP 49 HB2 ASP 49 15.397 11.003 27.080 196 H ASN 50 H ASN 50 12.872 12.630 25.597 197 HA ASN 50 HA ASN 50 10.335 11.750 26.410 198 HB2 ASN 50 HB2 ASN 50 11.427 11.560 28.643 199 HB3 ASN 50 HB3 ASN 50 12.260 13.108 28.378 200 HD21 ASN 50 HD22 ASN 50 8.787 12.241 28.249 201 HD22 ASN 50 HD21 ASN 50 8.598 13.690 29.245 202 HA PRO 51 HA PRO 51 10.692 15.628 23.984 203 HB2 PRO 51 HB3 PRO 51 9.675 14.818 21.647 204 HB3 PRO 51 HB2 PRO 51 11.241 14.138 22.175 205 HG2 PRO 51 HG3 PRO 51 8.470 12.937 22.686 206 HG3 PRO 51 HG2 PRO 51 9.853 12.224 21.843 207 HD2 PRO 51 HD3 PRO 51 9.467 11.760 24.458 208 HD3 PRO 51 HD2 PRO 51 11.112 11.934 23.765 209 H LEU 52 H LEU 52 8.641 16.285 22.423 210 HA LEU 52 HA LEU 52 6.135 16.139 24.024 211 HB2 LEU 52 HB2 LEU 52 7.345 18.615 22.760 212 HB3 LEU 52 HB3 LEU 52 5.832 18.541 23.665 213 HG LEU 52 HG LEU 52 8.411 17.768 25.013 214 HD11 LEU 52 HD11 LEU 52 8.705 19.986 25.787 215 HD12 LEU 52 HD12 LEU 52 8.742 20.005 24.029 216 HD13 LEU 52 HD13 LEU 52 7.270 20.548 24.850 217 HD21 LEU 52 HD21 LEU 52 7.281 18.538 27.002 218 HD22 LEU 52 HD22 LEU 52 5.814 18.916 26.068 219 HD23 LEU 52 HD23 LEU 52 6.407 17.231 26.212 220 H PHE 53 H PHE 53 4.248 16.567 22.962 221 HA PHE 53 HA PHE 53 4.114 16.827 20.060 222 HB2 PHE 53 HB2 PHE 53 3.281 14.754 19.520 223 HB3 PHE 53 HB3 PHE 53 4.535 14.312 20.653 224 HD1 PHE 53 HD2 PHE 53 3.473 14.422 23.316 225 HD2 PHE 53 HD1 PHE 53 1.382 13.487 19.660 226 HE1 PHE 53 HE2 PHE 53 1.682 13.322 24.618 227 HE2 PHE 53 HE1 PHE 53 -0.366 12.336 20.955 228 HZ PHE 53 HZ PHE 53 -0.255 12.284 23.445 229 H HIS 54 H HIS 54 1.606 16.445 19.488 230 HA HIS 54 HA HIS 54 0.024 18.014 21.471 231 HB2 HIS 54 HB2 HIS 54 -1.130 18.951 19.465 232 HB3 HIS 54 HB3 HIS 54 0.524 19.427 19.764 233 HD1 HIS 54 HD1 HIS 54 -1.003 16.572 17.614 234 HD2 HIS 54 HD2 HIS 54 1.937 19.572 17.611 235 HE1 HIS 54 HE1 HIS 54 0.149 16.445 15.322 236 HA PRO 55 HA PRO 55 -2.407 14.045 21.296 237 HB2 PRO 55 HB3 PRO 55 -3.545 14.289 23.831 238 HB3 PRO 55 HB2 PRO 55 -1.934 13.822 23.659 239 HG2 PRO 55 HG3 PRO 55 -3.055 16.672 23.902 240 HG3 PRO 55 HG2 PRO 55 -1.995 15.924 25.007 241 HD2 PRO 55 HD3 PRO 55 -0.993 17.482 23.123 242 HD3 PRO 55 HD2 PRO 55 -0.164 15.908 23.356 243 H CYS 56 H CYS 56 -3.202 17.313 21.512 244 HA CYS 56 HA CYS 56 -6.029 17.062 21.122 245 HB2 CYS 56 HB3 CYS 56 -5.271 17.175 23.606 246 HB3 CYS 56 HB2 CYS 56 -4.966 18.886 23.233 247 H LYS 57 H LYS 57 -6.739 19.452 20.524 248 HA LYS 57 HA LYS 57 -4.684 20.719 18.840 249 HB2 LYS 57 HB2 LYS 57 -7.497 21.505 19.627 250 HB3 LYS 57 HB3 LYS 57 -6.501 22.442 18.505 251 HG2 LYS 57 HG3 LYS 57 -7.312 19.534 18.094 252 HG3 LYS 57 HG2 LYS 57 -8.074 20.972 17.413 253 HD2 LYS 57 HD2 LYS 57 -5.972 21.523 16.201 254 HD3 LYS 57 HD3 LYS 57 -5.242 20.025 16.829 255 HE2 LYS 57 HE2 LYS 57 -7.051 18.698 15.765 256 HE3 LYS 57 HE3 LYS 57 -7.768 20.182 15.127 257 HZ1 LYS 57 HZ1 LYS 57 -5.726 20.540 13.841 258 HZ2 LYS 57 HZ2 LYS 57 -5.057 19.170 14.436 259 HZ3 LYS 57 HZ3 LYS 57 -6.369 19.087 13.471 260 H CYS 58 H CYS 58 -6.109 21.368 21.924 261 HA CYS 58 HA CYS 58 -6.401 23.155 23.253 262 HB2 CYS 58 HB3 CYS 58 -3.551 22.392 23.264 263 HB3 CYS 58 HB2 CYS 58 -4.217 23.514 24.489 264 H ARG 59 H ARG 59 -4.694 24.147 20.595 265 HA ARG 59 HA ARG 59 -4.173 26.030 19.571 266 HB2 ARG 59 HB2 ARG 59 -6.561 25.928 19.199 267 HB3 ARG 59 HB3 ARG 59 -6.859 26.952 20.603 268 HG2 ARG 59 HG2 ARG 59 -7.035 28.108 18.365 269 HG3 ARG 59 HG3 ARG 59 -5.959 28.883 19.520 270 HD2 ARG 59 HD2 ARG 59 -5.101 28.890 17.194 271 HD3 ARG 59 HD3 ARG 59 -4.012 28.205 18.394 272 HE ARG 59 HE ARG 59 -5.734 26.407 16.723 273 HH11 ARG 59 HH12 ARG 59 -2.446 27.469 17.471 274 HH12 ARG 59 HH11 ARG 59 -1.782 26.035 16.680 275 HH21 ARG 59 HH22 ARG 59 -4.667 24.656 15.727 276 HH22 ARG 59 HH21 ARG 59 -2.909 24.617 15.806 277 H GLY 60 H GLY 60 -2.555 26.025 21.304 278 HA2 GLY 60 HA2 GLY 60 -1.625 28.683 21.441 279 HA3 GLY 60 HA3 GLY 60 -2.228 28.236 23.045 280 H SER 61 H SER 61 0.360 28.656 23.242 281 HA SER 61 HA SER 61 2.254 26.691 22.478 282 HB2 SER 61 HB2 SER 61 3.506 27.461 24.514 283 HB3 SER 61 HB3 SER 61 2.958 28.775 23.455 284 HG SER 61 HG SER 61 2.515 29.232 25.653 285 H ILE 62 H ILE 62 -0.102 26.686 25.053 286 HA ILE 62 HA ILE 62 0.627 24.567 26.691 287 HB ILE 62 HB ILE 62 -1.847 24.501 27.195 288 HG12 ILE 62 HG12 ILE 62 -2.095 26.840 25.247 289 HG13 ILE 62 HG13 ILE 62 -2.482 25.190 24.765 290 HG21 ILE 62 HG21 ILE 62 -0.260 25.990 28.364 291 HG22 ILE 62 HG22 ILE 62 -0.529 27.259 27.154 292 HG23 ILE 62 HG23 ILE 62 -1.852 26.739 28.220 293 HD11 ILE 62 HD11 ILE 62 -3.838 26.699 27.023 294 HD12 ILE 62 HD12 ILE 62 -4.484 26.386 25.401 295 HD13 ILE 62 HD13 ILE 62 -4.188 25.028 26.500 296 H LYS 63 H LYS 63 -0.393 24.248 23.384 297 HA LYS 63 HA LYS 63 -1.683 21.706 23.604 298 HB2 LYS 63 HB2 LYS 63 -1.693 21.693 21.280 299 HB3 LYS 63 HB3 LYS 63 -1.696 23.433 21.667 300 HG2 LYS 63 HG2 LYS 63 0.746 23.519 21.238 301 HG3 LYS 63 HG3 LYS 63 0.762 21.781 20.886 302 HD2 LYS 63 HD2 LYS 63 -0.791 22.148 18.976 303 HD3 LYS 63 HD3 LYS 63 -0.719 23.904 19.285 304 HE2 LYS 63 HE2 LYS 63 1.750 23.826 19.051 305 HE3 LYS 63 HE3 LYS 63 1.675 22.082 18.735 306 HZ1 LYS 63 HZ1 LYS 63 1.819 23.603 16.714 307 HZ2 LYS 63 HZ2 LYS 63 0.599 22.512 16.650 308 HZ3 LYS 63 HZ3 LYS 63 0.278 24.048 16.990 309 H TYR 64 H TYR 64 1.681 22.553 23.736 310 HA TYR 64 HA TYR 64 2.606 19.832 23.241 311 HB2 TYR 64 HB3 TYR 64 3.968 22.405 24.023 312 HB3 TYR 64 HB2 TYR 64 4.814 20.854 24.057 313 HD1 TYR 64 HD2 TYR 64 4.785 19.374 21.982 314 HD2 TYR 64 HD1 TYR 64 3.660 23.533 21.905 315 HE1 TYR 64 HE2 TYR 64 5.192 19.410 19.554 316 HE2 TYR 64 HE1 TYR 64 4.012 23.565 19.449 317 HH TYR 64 HH TYR 64 4.614 22.361 17.570 318 H MET 65 H MET 65 3.241 18.339 24.557 319 HA MET 65 HA MET 65 3.229 18.456 27.494 320 HB2 MET 65 HB2 MET 65 1.179 16.808 25.913 321 HB3 MET 65 HB3 MET 65 1.430 16.742 27.656 322 HG2 MET 65 HG2 MET 65 0.589 19.019 27.898 323 HG3 MET 65 HG3 MET 65 0.429 19.177 26.143 324 HE1 MET 65 HE1 MET 65 -0.669 16.495 28.825 325 HE2 MET 65 HE2 MET 65 -1.259 18.080 29.388 326 HE3 MET 65 HE3 MET 65 -2.417 16.838 28.870 327 H HIS 66 H HIS 66 4.134 16.379 28.346 328 HA HIS 66 HA HIS 66 5.624 14.828 26.295 329 HB2 HIS 66 HB2 HIS 66 5.308 14.223 29.252 330 HB3 HIS 66 HB3 HIS 66 6.499 13.589 28.164 331 HD2 HIS 66 HD2 HIS 66 8.491 15.473 27.349 332 HE1 HIS 66 HE1 HIS 66 7.963 17.964 30.702 333 HE2 HIS 66 HE2 HIS 66 9.545 17.310 28.836 334 H GLU 67 H GLU 67 5.355 12.352 26.317 335 HA GLU 67 HA GLU 67 2.560 11.668 25.895 336 HB2 GLU 67 HB2 GLU 67 4.560 10.699 24.698 337 HB3 GLU 67 HB3 GLU 67 4.947 9.801 26.170 338 HG2 GLU 67 HG2 GLU 67 2.688 8.704 26.036 339 HG3 GLU 67 HG3 GLU 67 2.380 9.579 24.535 340 H SER 68 H SER 68 4.854 11.026 28.492 341 HA SER 68 HA SER 68 3.166 9.235 30.038 342 HB2 SER 68 HB2 SER 68 5.672 10.743 30.875 343 HB3 SER 68 HB3 SER 68 4.939 9.358 31.708 344 HG SER 68 HG SER 68 6.676 8.717 30.351 345 H CYS 69 H CYS 69 3.701 12.734 30.116 346 HA CYS 69 HA CYS 69 2.460 13.077 32.748 347 HB2 CYS 69 HB3 CYS 69 3.053 15.369 32.360 348 HB3 CYS 69 HB2 CYS 69 4.278 14.339 31.543 349 H LEU 70 H LEU 70 1.485 13.601 29.428 350 HA LEU 70 HA LEU 70 -1.198 14.424 29.673 351 HB2 LEU 70 HB3 LEU 70 0.116 14.110 27.663 352 HB3 LEU 70 HB2 LEU 70 0.378 12.497 27.914 353 HG LEU 70 HG LEU 70 -2.136 12.022 27.659 354 HD11 LEU 70 HD11 LEU 70 -2.035 15.003 27.273 355 HD12 LEU 70 HD12 LEU 70 -3.203 14.063 26.395 356 HD13 LEU 70 HD13 LEU 70 -3.205 13.996 28.191 357 HD21 LEU 70 HD21 LEU 70 -0.497 11.714 25.862 358 HD22 LEU 70 HD22 LEU 70 -2.066 12.259 25.246 359 HD23 LEU 70 HD23 LEU 70 -0.700 13.418 25.404 360 H LEU 71 H LEU 71 0.229 11.180 29.600 361 HA LEU 71 HA LEU 71 -2.093 9.745 29.765 362 HB2 LEU 71 HB2 LEU 71 0.799 9.261 30.473 363 HB3 LEU 71 HB3 LEU 71 -0.311 7.999 30.932 364 HG LEU 71 HG LEU 71 -0.185 8.967 28.048 365 HD11 LEU 71 HD11 LEU 71 1.134 6.528 29.342 366 HD12 LEU 71 HD12 LEU 71 1.072 6.879 27.598 367 HD13 LEU 71 HD13 LEU 71 1.985 7.935 28.675 368 HD21 LEU 71 HD21 LEU 71 -2.288 7.814 28.734 369 HD22 LEU 71 HD22 LEU 71 -1.347 6.867 27.579 370 HD23 LEU 71 HD23 LEU 71 -1.321 6.440 29.303 371 H GLU 72 H GLU 72 -0.425 11.437 32.223 372 HA GLU 72 HA GLU 72 -1.853 10.037 34.445 373 HB2 GLU 72 HB3 GLU 72 -0.295 10.693 35.928 374 HB3 GLU 72 HB2 GLU 72 0.703 10.419 34.453 375 HG2 GLU 72 HG2 GLU 72 1.152 12.486 34.080 376 HG3 GLU 72 HG3 GLU 72 -0.121 13.203 35.092 377 H TRP 73 H TRP 73 -1.669 13.118 32.773 378 HA TRP 73 HA TRP 73 -3.312 14.673 34.537 379 HB2 TRP 73 HB2 TRP 73 -1.858 15.590 32.818 380 HB3 TRP 73 HB3 TRP 73 -2.808 14.823 31.548 381 HD1 TRP 73 HD1 TRP 73 -3.050 17.642 34.156 382 HE1 TRP 73 HE1 TRP 73 -4.829 19.351 33.411 383 HE3 TRP 73 HE3 TRP 73 -4.826 15.217 30.008 384 HZ2 TRP 73 HZ2 TRP 73 -6.729 19.651 31.263 385 HZ3 TRP 73 HZ3 TRP 73 -6.635 16.237 28.639 386 HH2 TRP 73 HH2 TRP 73 -7.577 18.449 29.243 387 H VAL 74 H VAL 74 -4.147 12.772 31.540 388 HA VAL 74 HA VAL 74 -7.004 13.211 31.847 389 HB VAL 74 HB VAL 74 -7.363 11.307 30.401 390 HG11 VAL 74 HG11 VAL 74 -6.349 12.102 28.420 391 HG12 VAL 74 HG12 VAL 74 -6.724 13.502 29.437 392 HG13 VAL 74 HG13 VAL 74 -5.044 12.914 29.317 393 HG21 VAL 74 HG21 VAL 74 -5.707 9.674 31.083 394 HG22 VAL 74 HG22 VAL 74 -5.477 10.051 29.390 395 HG23 VAL 74 HG23 VAL 74 -4.376 10.740 30.593 396 H ALA 75 H ALA 75 -4.798 10.845 33.174 397 HA ALA 75 HA ALA 75 -6.819 9.100 34.330 398 HB1 ALA 75 HB1 ALA 75 -5.005 8.155 35.663 399 HB2 ALA 75 HB2 ALA 75 -4.490 8.368 33.982 400 HB3 ALA 75 HB3 ALA 75 -3.941 9.505 35.239 401 H SER 76 H SER 76 -5.206 12.032 35.507 402 HA SER 76 HA SER 76 -6.269 12.043 38.167 403 HB2 SER 76 HB3 SER 76 -4.339 13.391 37.279 404 HB3 SER 76 HB2 SER 76 -5.510 14.451 36.476 405 HG SER 76 HG SER 76 -4.820 15.184 38.582 406 H LYS 77 H LYS 77 -7.891 12.557 35.140 407 HA LYS 77 HA LYS 77 -10.139 14.111 36.289 408 HB2 LYS 77 HB2 LYS 77 -9.997 12.797 33.560 409 HB3 LYS 77 HB3 LYS 77 -11.030 14.124 34.046 410 HG2 LYS 77 HG2 LYS 77 -8.020 14.285 33.714 411 HG3 LYS 77 HG3 LYS 77 -9.184 14.787 32.512 412 HD2 LYS 77 HD2 LYS 77 -10.022 16.565 33.908 413 HD3 LYS 77 HD3 LYS 77 -9.086 16.020 35.308 414 HE2 LYS 77 HE2 LYS 77 -7.788 16.879 32.696 415 HE3 LYS 77 HE3 LYS 77 -8.182 18.022 33.986 416 HZ1 LYS 77 HZ1 LYS 77 -6.424 15.650 34.339 417 HZ2 LYS 77 HZ2 LYS 77 -5.898 17.187 34.173 418 HZ3 LYS 77 HZ3 LYS 77 -6.771 16.770 35.494 419 H ASN 78 H ASN 78 -9.313 11.132 36.896 420 HA ASN 78 HA ASN 78 -10.344 9.418 37.855 421 HB2 ASN 78 HB3 ASN 78 -12.176 9.909 38.938 422 HB3 ASN 78 HB2 ASN 78 -12.289 11.411 38.082 423 HD21 ASN 78 HD22 ASN 78 -13.490 11.195 35.866 424 HD22 ASN 78 HD21 ASN 78 -14.959 10.208 35.926 425 H ILE 79 H ILE 79 -10.344 9.896 34.680 426 HA ILE 79 HA ILE 79 -12.082 7.702 33.837 427 HB ILE 79 HB ILE 79 -10.250 9.313 32.058 428 HG12 ILE 79 HG12 ILE 79 -12.868 10.206 33.348 429 HG13 ILE 79 HG13 ILE 79 -11.307 10.999 33.365 430 HG21 ILE 79 HG21 ILE 79 -13.009 8.086 31.607 431 HG22 ILE 79 HG22 ILE 79 -11.963 8.859 30.391 432 HG23 ILE 79 HG23 ILE 79 -11.466 7.336 31.125 433 HD11 ILE 79 HD11 ILE 79 -11.437 11.455 30.943 434 HD12 ILE 79 HD12 ILE 79 -13.111 10.823 30.953 435 HD13 ILE 79 HD13 ILE 79 -12.688 12.251 31.914 436 H ASP 80 H ASP 80 -11.496 5.684 33.470 437 HA ASP 80 HA ASP 80 -8.701 4.848 33.768 438 HB2 ASP 80 HB3 ASP 80 -10.435 3.609 34.932 439 HB3 ASP 80 HB2 ASP 80 -11.246 3.235 33.405 440 H ILE 81 H ILE 81 -7.470 5.203 32.060 441 HA ILE 81 HA ILE 81 -8.216 4.949 29.289 442 HB ILE 81 HB ILE 81 -5.750 5.106 28.889 443 HG12 ILE 81 HG12 ILE 81 -5.506 5.444 31.919 444 HG13 ILE 81 HG13 ILE 81 -5.029 3.988 31.040 445 HG21 ILE 81 HG21 ILE 81 -5.647 7.451 29.540 446 HG22 ILE 81 HG22 ILE 81 -7.272 7.023 28.996 447 HG23 ILE 81 HG23 ILE 81 -6.943 7.210 30.735 448 HD11 ILE 81 HD11 ILE 81 -3.822 6.759 30.704 449 HD12 ILE 81 HD12 ILE 81 -3.071 5.334 31.439 450 HD13 ILE 81 HD13 ILE 81 -3.428 5.341 29.699 451 H SER 82 H SER 82 -7.429 2.512 31.604 452 HA SER 82 HA SER 82 -6.163 0.647 29.815 453 HB2 SER 82 HB2 SER 82 -6.092 0.670 32.353 454 HB3 SER 82 HB3 SER 82 -7.739 0.015 32.334 455 HG SER 82 HG SER 82 -6.097 -1.614 32.487 456 H LYS 83 H LYS 83 -9.477 1.619 30.165 457 HA LYS 83 HA LYS 83 -10.439 -0.790 28.656 458 HB2 LYS 83 HB2 LYS 83 -11.902 1.089 30.548 459 HB3 LYS 83 HB3 LYS 83 -12.709 -0.080 29.496 460 HG2 LYS 83 HG2 LYS 83 -11.283 -1.902 30.540 461 HG3 LYS 83 HG3 LYS 83 -10.748 -0.723 31.739 462 HD2 LYS 83 HD2 LYS 83 -13.637 -1.542 31.192 463 HD3 LYS 83 HD3 LYS 83 -12.650 -2.191 32.492 464 HE2 LYS 83 HE3 LYS 83 -13.334 0.772 32.235 465 HE3 LYS 83 HE2 LYS 83 -14.334 -0.387 33.111 466 HZ1 LYS 83 HZ1 LYS 83 -12.822 0.688 34.630 467 HZ2 LYS 83 HZ2 LYS 83 -12.401 -0.884 34.528 468 HZ3 LYS 83 HZ3 LYS 83 -11.504 0.261 33.767 469 HA PRO 84 HA PRO 84 -11.275 1.956 25.296 470 HB2 PRO 84 HB3 PRO 84 -12.696 0.356 23.590 471 HB3 PRO 84 HB2 PRO 84 -11.009 -0.023 24.047 472 HG2 PRO 84 HG3 PRO 84 -13.557 -1.103 25.313 473 HG3 PRO 84 HG2 PRO 84 -12.163 -2.040 24.682 474 HD2 PRO 84 HD3 PRO 84 -12.412 -1.375 27.329 475 HD3 PRO 84 HD2 PRO 84 -10.821 -1.460 26.515 476 H GLY 85 H GLY 85 -13.316 1.630 27.560 477 HA2 GLY 85 HA2 GLY 85 -15.739 2.887 26.328 478 HA3 GLY 85 HA3 GLY 85 -15.652 2.159 27.936 479 H ALA 86 H ALA 86 -12.898 4.034 27.296 480 HA ALA 86 HA ALA 86 -13.396 5.951 29.331 481 HB1 ALA 86 HB1 ALA 86 -11.312 5.902 27.101 482 HB2 ALA 86 HB2 ALA 86 -11.214 6.847 28.599 483 HB3 ALA 86 HB3 ALA 86 -11.174 5.082 28.672 484 H ASP 87 H ASP 87 -13.086 8.293 29.053 485 HA ASP 87 HA ASP 87 -14.349 9.538 26.669 486 HB2 ASP 87 HB2 ASP 87 -16.084 9.060 28.425 487 HB3 ASP 87 HB3 ASP 87 -15.185 10.079 29.548 488 H VAL 88 H VAL 88 -11.648 9.362 27.276 489 HA VAL 88 HA VAL 88 -10.605 11.645 28.663 490 HB VAL 88 HB VAL 88 -8.437 10.923 27.635 491 HG11 VAL 88 HG11 VAL 88 -9.346 10.254 29.886 492 HG12 VAL 88 HG12 VAL 88 -9.917 8.748 29.144 493 HG13 VAL 88 HG13 VAL 88 -8.184 9.129 29.175 494 HG21 VAL 88 HG21 VAL 88 -8.251 8.686 26.677 495 HG22 VAL 88 HG22 VAL 88 -10.006 8.469 26.708 496 HG23 VAL 88 HG23 VAL 88 -9.273 9.677 25.633 497 H LYS 89 H LYS 89 -11.835 13.305 27.727 498 HA LYS 89 HA LYS 89 -10.520 14.557 25.368 499 HB2 LYS 89 HB2 LYS 89 -12.461 13.617 24.510 500 HB3 LYS 89 HB3 LYS 89 -13.420 13.958 25.971 501 HG2 LYS 89 HG2 LYS 89 -13.460 16.359 25.348 502 HG3 LYS 89 HG3 LYS 89 -12.530 15.961 23.884 503 HD2 LYS 89 HD2 LYS 89 -14.332 14.133 23.455 504 HD3 LYS 89 HD3 LYS 89 -15.311 14.975 24.670 505 HE2 LYS 89 HE2 LYS 89 -15.131 17.056 23.264 506 HE3 LYS 89 HE3 LYS 89 -14.237 16.114 22.060 507 HZ1 LYS 89 HZ1 LYS 89 -17.033 15.569 22.922 508 HZ2 LYS 89 HZ2 LYS 89 -16.602 16.251 21.505 509 HZ3 LYS 89 HZ3 LYS 89 -16.213 14.696 21.810 510 H CYS 90 H CYS 90 -10.179 16.618 25.417 511 HA CYS 90 HA CYS 90 -9.554 17.854 27.821 512 HB2 CYS 90 HB2 CYS 90 -8.420 17.956 25.719 513 HB3 CYS 90 HB3 CYS 90 -9.739 18.864 24.979 514 H ASP 91 H ASP 91 -9.991 20.180 28.194 515 HA ASP 91 HA ASP 91 -12.902 20.909 28.262 516 HB2 ASP 91 HB2 ASP 91 -11.863 20.016 30.427 517 HB3 ASP 91 HB3 ASP 91 -10.838 21.432 30.440 518 H ILE 92 H ILE 92 -9.758 21.844 27.313 519 HA ILE 92 HA ILE 92 -10.180 24.718 27.718 520 HB ILE 92 HB ILE 92 -7.984 23.273 26.171 521 HG12 ILE 92 HG12 ILE 92 -8.024 24.340 29.043 522 HG13 ILE 92 HG13 ILE 92 -7.993 22.641 28.574 523 HG21 ILE 92 HG21 ILE 92 -6.752 25.400 26.303 524 HG22 ILE 92 HG22 ILE 92 -8.265 25.615 25.450 525 HG23 ILE 92 HG23 ILE 92 -8.125 26.161 27.139 526 HD11 ILE 92 HD11 ILE 92 -5.792 23.203 29.247 527 HD12 ILE 92 HD12 ILE 92 -5.753 23.037 27.479 528 HD13 ILE 92 HD13 ILE 92 -5.755 24.653 28.238 529 H CYS 93 H CYS 93 -9.543 22.600 24.947 530 HA CYS 93 HA CYS 93 -11.010 24.315 23.040 531 HB2 CYS 93 HB2 CYS 93 -9.594 23.138 21.388 532 HB3 CYS 93 HB3 CYS 93 -8.644 24.007 22.607 533 H HIS 94 H HIS 94 -11.357 21.534 24.868 534 HA HIS 94 HA HIS 94 -12.671 19.754 24.955 535 HB2 HIS 94 HB3 HIS 94 -14.406 21.153 22.909 536 HB3 HIS 94 HB2 HIS 94 -14.881 19.808 23.936 537 HD1 HIS 94 HD1 HIS 94 -14.337 23.575 24.130 538 HD2 HIS 94 HD2 HIS 94 -15.214 20.274 26.589 539 HE1 HIS 94 HE1 HIS 94 -15.125 24.534 26.359 540 H TYR 95 H TYR 95 -10.420 19.698 22.884 541 HA TYR 95 HA TYR 95 -11.448 17.782 20.945 542 HB2 TYR 95 HB2 TYR 95 -8.751 19.007 21.450 543 HB3 TYR 95 HB3 TYR 95 -8.836 17.516 20.558 544 HD1 TYR 95 HD2 TYR 95 -10.164 20.977 20.787 545 HD2 TYR 95 HD1 TYR 95 -9.568 17.565 18.250 546 HE1 TYR 95 HE2 TYR 95 -11.044 22.294 18.899 547 HE2 TYR 95 HE1 TYR 95 -10.471 18.868 16.302 548 HH TYR 95 HH TYR 95 -11.343 20.865 15.586 549 HA PRO 96 HA PRO 96 -10.712 14.079 23.368 550 HB2 PRO 96 HB3 PRO 96 -10.160 12.662 20.804 551 HB3 PRO 96 HB2 PRO 96 -11.412 12.323 22.051 552 HG2 PRO 96 HG3 PRO 96 -12.077 13.446 19.649 553 HG3 PRO 96 HG2 PRO 96 -12.852 13.941 21.206 554 HD2 PRO 96 HD3 PRO 96 -10.571 15.256 19.767 555 HD3 PRO 96 HD2 PRO 96 -12.110 15.987 20.331 556 H ILE 97 H ILE 97 -8.993 13.070 24.197 557 HA ILE 97 HA ILE 97 -6.333 14.055 23.403 558 HB ILE 97 HB ILE 97 -7.332 12.506 25.748 559 HG12 ILE 97 HG12 ILE 97 -7.864 15.038 25.431 560 HG13 ILE 97 HG13 ILE 97 -7.313 14.504 26.990 561 HG21 ILE 97 HG21 ILE 97 -5.332 11.558 25.656 562 HG22 ILE 97 HG22 ILE 97 -4.529 13.008 25.086 563 HG23 ILE 97 HG23 ILE 97 -5.086 12.904 26.769 564 HD11 ILE 97 HD11 ILE 97 -5.431 15.614 24.907 565 HD12 ILE 97 HD12 ILE 97 -6.340 16.641 26.051 566 HD13 ILE 97 HD13 ILE 97 -5.156 15.458 26.655 567 H GLN 98 H GLN 98 -4.922 12.986 22.333 568 HA GLN 98 HA GLN 98 -5.233 10.033 21.771 569 HB2 GLN 98 HB2 GLN 98 -4.175 12.301 20.024 570 HB3 GLN 98 HB3 GLN 98 -4.251 10.608 19.547 571 HG2 GLN 98 HG2 GLN 98 -6.533 10.652 19.167 572 HG3 GLN 98 HG3 GLN 98 -6.858 11.884 20.376 573 HE21 GLN 98 HE22 GLN 98 -6.148 14.171 19.898 574 HE22 GLN 98 HE21 GLN 98 -6.207 14.660 18.206 575 H PHE 99 H PHE 99 -3.696 8.876 22.681 576 HA PHE 99 HA PHE 99 -1.298 10.073 23.729 577 HB2 PHE 99 HB2 PHE 99 -2.032 7.128 23.567 578 HB3 PHE 99 HB3 PHE 99 -0.939 7.897 24.711 579 HD1 PHE 99 HD1 PHE 99 -1.972 9.793 26.230 580 HD2 PHE 99 HD2 PHE 99 -4.271 6.734 24.242 581 HE1 PHE 99 HE1 PHE 99 -3.881 10.242 27.747 582 HE2 PHE 99 HE2 PHE 99 -6.175 7.172 25.773 583 HZ PHE 99 HZ PHE 99 -5.995 8.935 27.507 584 H LYS 100 H LYS 100 -1.724 9.602 20.721 585 HA LYS 100 HA LYS 100 1.075 9.364 19.969 586 HB2 LYS 100 HB2 LYS 100 0.429 6.987 20.261 587 HB3 LYS 100 HB3 LYS 100 -0.967 7.215 19.223 588 HG2 LYS 100 HG2 LYS 100 0.783 6.009 18.067 589 HG3 LYS 100 HG3 LYS 100 0.476 7.555 17.279 590 HD2 LYS 100 HD3 LYS 100 2.540 8.500 18.308 591 HD3 LYS 100 HD2 LYS 100 2.765 7.018 19.233 592 HE2 LYS 100 HE2 LYS 100 4.282 7.086 17.333 593 HE3 LYS 100 HE3 LYS 100 3.158 5.732 17.189 594 HZ1 LYS 100 HZ1 LYS 100 2.775 8.335 15.775 595 HZ2 LYS 100 HZ2 LYS 100 3.482 7.022 15.097 596 HZ3 LYS 100 HZ3 LYS 100 1.917 6.965 15.548 597 H THR 101 H THR 101 1.422 10.002 17.809 598 HA THR 101 HA THR 101 -0.815 10.942 16.103 599 HB THR 101 HB THR 101 0.528 13.022 15.607 600 HG1 THR 101 HG1 THR 101 2.449 12.286 16.647 601 HG21 THR 101 HG21 THR 101 -0.295 14.287 17.536 602 HG22 THR 101 HG22 THR 101 -1.514 13.132 16.966 603 HG23 THR 101 HG23 THR 101 -0.579 12.785 18.434 Start of MODEL 5 1 H1 VAL 19 H1 VAL 19 22.481 -8.159 31.609 2 H2 VAL 19 H2 VAL 19 23.352 -6.795 31.836 3 H3 VAL 19 H3 VAL 19 22.430 -6.976 30.489 4 HA VAL 19 HA VAL 19 21.391 -6.800 33.241 5 HB VAL 19 HB VAL 19 20.378 -4.651 32.586 6 HG11 VAL 19 HG11 VAL 19 22.348 -3.296 32.895 7 HG12 VAL 19 HG12 VAL 19 22.486 -4.754 33.885 8 HG13 VAL 19 HG13 VAL 19 23.415 -4.609 32.371 9 HG21 VAL 19 HG21 VAL 19 20.442 -4.843 30.102 10 HG22 VAL 19 HG22 VAL 19 21.184 -3.358 30.699 11 HG23 VAL 19 HG23 VAL 19 22.217 -4.685 30.148 12 H ALA 20 H ALA 20 19.078 -6.676 33.433 13 HA ALA 20 HA ALA 20 17.457 -7.568 31.129 14 HB1 ALA 20 HB1 ALA 20 17.701 -9.195 33.706 15 HB2 ALA 20 HB2 ALA 20 16.640 -9.567 32.330 16 HB3 ALA 20 HB3 ALA 20 18.395 -9.651 32.133 17 H ASN 21 H ASN 21 17.626 -5.208 33.083 18 HA ASN 21 HA ASN 21 15.365 -5.182 34.776 19 HB2 ASN 21 HB2 ASN 21 15.726 -2.804 34.924 20 HB3 ASN 21 HB3 ASN 21 17.279 -3.621 34.939 21 HD21 ASN 21 HD22 ASN 21 15.743 -0.948 33.694 22 HD22 ASN 21 HD21 ASN 21 16.740 -0.732 32.263 23 H GLU 22 H GLU 22 15.549 -4.351 31.329 24 HA GLU 22 HA GLU 22 12.607 -4.424 31.174 25 HB2 GLU 22 HB2 GLU 22 14.301 -2.018 30.425 26 HB3 GLU 22 HB3 GLU 22 12.807 -2.330 29.556 27 HG2 GLU 22 HG3 GLU 22 13.060 -1.962 32.529 28 HG3 GLU 22 HG2 GLU 22 12.489 -0.759 31.366 29 H GLU 23 H GLU 23 11.709 -4.621 29.299 30 HA GLU 23 HA GLU 23 13.332 -5.681 26.985 31 HB2 GLU 23 HB2 GLU 23 10.750 -6.812 28.133 32 HB3 GLU 23 HB3 GLU 23 11.596 -7.419 26.705 33 HG2 GLU 23 HG3 GLU 23 13.597 -7.913 28.116 34 HG3 GLU 23 HG2 GLU 23 12.681 -7.436 29.550 35 H THR 24 H THR 24 11.509 -3.089 27.596 36 HA THR 24 HA THR 24 10.476 -2.880 24.819 37 HB THR 24 HB THR 24 8.379 -1.851 25.596 38 HG1 THR 24 HG1 THR 24 8.693 -1.158 27.597 39 HG21 THR 24 HG21 THR 24 7.170 -3.816 26.267 40 HG22 THR 24 HG22 THR 24 8.392 -4.276 25.071 41 HG23 THR 24 HG23 THR 24 8.657 -4.629 26.795 42 H ASP 25 H ASP 25 9.648 -0.499 24.478 43 HA ASP 25 HA ASP 25 10.032 1.608 24.242 44 HB2 ASP 25 HB2 ASP 25 10.991 1.599 27.108 45 HB3 ASP 25 HB3 ASP 25 10.491 3.013 26.187 46 H THR 26 H THR 26 12.668 -0.282 24.514 47 HA THR 26 HA THR 26 14.898 1.355 24.459 48 HB THR 26 HB THR 26 16.013 -0.345 22.985 49 HG1 THR 26 HG1 THR 26 14.776 -2.145 22.418 50 HG21 THR 26 HG21 THR 26 15.846 -2.202 24.559 51 HG22 THR 26 HG22 THR 26 15.865 -0.672 25.451 52 HG23 THR 26 HG23 THR 26 14.337 -1.553 25.235 53 H ALA 27 H ALA 27 12.703 1.003 21.850 54 HA ALA 27 HA ALA 27 14.208 2.487 19.846 55 HB1 ALA 27 HB1 ALA 27 12.624 0.656 19.326 56 HB2 ALA 27 HB2 ALA 27 11.291 1.639 19.987 57 HB3 ALA 27 HB3 ALA 27 12.162 2.174 18.530 58 H THR 28 H THR 28 14.095 3.956 22.107 59 HA THR 28 HA THR 28 12.711 6.467 21.327 60 HB THR 28 HB THR 28 12.531 5.703 24.217 61 HG1 THR 28 HG1 THR 28 11.422 4.085 23.424 62 HG21 THR 28 HG21 THR 28 10.726 7.387 22.413 63 HG22 THR 28 HG22 THR 28 10.639 7.266 24.187 64 HG23 THR 28 HG23 THR 28 12.030 8.046 23.414 65 H PHE 29 H PHE 29 15.132 6.177 20.819 66 HA PHE 29 HA PHE 29 16.884 7.256 22.975 67 HB2 PHE 29 HB2 PHE 29 18.728 6.354 21.656 68 HB3 PHE 29 HB3 PHE 29 17.536 5.130 22.047 69 HD1 PHE 29 HD2 PHE 29 18.926 7.220 19.288 70 HD2 PHE 29 HD1 PHE 29 16.308 3.953 20.325 71 HE1 PHE 29 HE2 PHE 29 18.744 6.602 16.891 72 HE2 PHE 29 HE1 PHE 29 16.126 3.338 17.924 73 HZ PHE 29 HZ PHE 29 17.341 4.665 16.205 74 H ASN 30 H ASN 30 15.071 8.668 20.843 75 HA ASN 30 HA ASN 30 16.782 11.033 20.606 76 HB2 ASN 30 HB3 ASN 30 16.675 11.264 18.198 77 HB3 ASN 30 HB2 ASN 30 17.409 9.714 18.574 78 HD21 ASN 30 HD22 ASN 30 14.479 11.305 17.256 79 HD22 ASN 30 HD21 ASN 30 13.862 9.823 16.545 80 H ASP 31 H ASP 31 15.706 12.943 20.038 81 HA ASP 31 HA ASP 31 12.874 13.087 20.732 82 HB2 ASP 31 HB3 ASP 31 14.602 14.700 21.502 83 HB3 ASP 31 HB2 ASP 31 14.874 15.191 19.829 84 H ASP 32 H ASP 32 11.402 14.400 19.380 85 HA ASP 32 HA ASP 32 11.680 14.307 16.434 86 HB2 ASP 32 HB3 ASP 32 10.819 12.059 17.269 87 HB3 ASP 32 HB2 ASP 32 9.411 12.920 17.897 88 H ALA 33 H ALA 33 11.397 16.339 18.567 89 HA ALA 33 HA ALA 33 8.920 17.827 17.783 90 HB1 ALA 33 HB1 ALA 33 8.699 18.418 20.089 91 HB2 ALA 33 HB2 ALA 33 9.152 16.725 20.152 92 HB3 ALA 33 HB3 ALA 33 10.381 17.987 20.425 93 HA PRO 34 HA PRO 34 11.120 21.567 16.790 94 HB2 PRO 34 HB3 PRO 34 9.912 22.677 19.317 95 HB3 PRO 34 HB2 PRO 34 10.000 23.475 17.704 96 HG2 PRO 34 HG3 PRO 34 7.713 22.380 18.548 97 HG3 PRO 34 HG2 PRO 34 8.255 22.027 16.922 98 HD2 PRO 34 HD3 PRO 34 8.554 20.300 19.364 99 HD3 PRO 34 HD2 PRO 34 8.103 19.822 17.705 100 H SER 35 H SER 35 12.288 23.508 17.942 101 HA SER 35 HA SER 35 14.427 22.435 19.731 102 HB2 SER 35 HB2 SER 35 15.742 24.399 18.953 103 HB3 SER 35 HB3 SER 35 15.244 23.346 17.619 104 HG SER 35 HG SER 35 14.874 25.576 17.159 105 H GLY 36 H GLY 36 11.597 24.096 20.000 106 HA2 GLY 36 HA3 GLY 36 12.344 25.265 22.626 107 HA3 GLY 36 HA2 GLY 36 11.582 26.312 21.423 108 H ALA 37 H ALA 37 10.483 22.985 21.402 109 HA ALA 37 HA ALA 37 7.811 23.757 22.261 110 HB1 ALA 37 HB1 ALA 37 7.958 22.062 20.601 111 HB2 ALA 37 HB2 ALA 37 9.030 21.051 21.606 112 HB3 ALA 37 HB3 ALA 37 7.331 21.310 22.066 113 H THR 38 H THR 38 6.911 23.410 24.333 114 HA THR 38 HA THR 38 8.377 21.878 26.358 115 HB THR 38 HB THR 38 7.814 23.694 28.027 116 HG1 THR 38 HG1 THR 38 7.657 25.226 25.656 117 HG21 THR 38 HG21 THR 38 9.944 24.272 25.930 118 HG22 THR 38 HG22 THR 38 9.847 25.009 27.552 119 HG23 THR 38 HG23 THR 38 10.093 23.268 27.380 120 H CYS 39 H CYS 39 7.126 21.060 28.020 121 HA CYS 39 HA CYS 39 4.473 20.224 27.487 122 HB2 CYS 39 HB3 CYS 39 6.097 19.043 28.884 123 HB3 CYS 39 HB2 CYS 39 6.218 20.328 29.994 124 H ARG 40 H ARG 40 2.585 21.326 27.624 125 HA ARG 40 HA ARG 40 2.403 23.886 28.980 126 HB2 ARG 40 HB2 ARG 40 0.095 23.879 28.369 127 HB3 ARG 40 HB3 ARG 40 1.063 23.294 27.028 128 HG2 ARG 40 HG3 ARG 40 -0.157 21.467 26.857 129 HG3 ARG 40 HG2 ARG 40 0.251 20.964 28.493 130 HD2 ARG 40 HD2 ARG 40 -1.659 22.000 29.415 131 HD3 ARG 40 HD3 ARG 40 -1.925 22.998 28.014 132 HE ARG 40 HE ARG 40 -2.310 20.736 26.775 133 HH11 ARG 40 HH22 ARG 40 -3.587 21.442 29.960 134 HH12 ARG 40 HH21 ARG 40 -5.066 20.580 29.631 135 HH21 ARG 40 HH12 ARG 40 -4.249 19.783 26.397 136 HH22 ARG 40 HH11 ARG 40 -5.473 19.790 27.614 137 H ILE 41 H ILE 41 2.515 20.761 30.350 138 HA ILE 41 HA ILE 41 0.761 21.393 32.584 139 HB ILE 41 HB ILE 41 2.335 18.908 31.871 140 HG12 ILE 41 HG12 ILE 41 -0.641 19.332 31.779 141 HG13 ILE 41 HG13 ILE 41 0.359 19.517 30.357 142 HG21 ILE 41 HG21 ILE 41 1.192 17.766 33.638 143 HG22 ILE 41 HG22 ILE 41 2.062 19.133 34.309 144 HG23 ILE 41 HG23 ILE 41 0.301 19.247 34.080 145 HD11 ILE 41 HD11 ILE 41 -0.867 17.402 30.501 146 HD12 ILE 41 HD12 ILE 41 0.882 17.190 30.337 147 HD13 ILE 41 HD13 ILE 41 0.076 16.933 31.915 148 H CYS 42 H CYS 42 4.298 20.501 32.019 149 HA CYS 42 HA CYS 42 4.832 22.244 34.424 150 HB2 CYS 42 HB2 CYS 42 6.389 20.630 35.204 151 HB3 CYS 42 HB3 CYS 42 4.848 19.821 34.854 152 H ARG 43 H ARG 43 5.278 22.709 31.384 153 HA ARG 43 HA ARG 43 6.621 23.850 30.060 154 HB2 ARG 43 HB3 ARG 43 7.670 25.055 32.635 155 HB3 ARG 43 HB2 ARG 43 7.977 25.697 31.032 156 HG2 ARG 43 HG2 ARG 43 5.286 25.507 32.417 157 HG3 ARG 43 HG3 ARG 43 6.208 26.953 32.041 158 HD2 ARG 43 HD2 ARG 43 4.702 25.135 30.138 159 HD3 ARG 43 HD3 ARG 43 4.406 26.831 30.461 160 HE ARG 43 HE ARG 43 6.232 25.707 28.515 161 HH11 ARG 43 HH12 ARG 43 5.851 28.604 30.466 162 HH12 ARG 43 HH11 ARG 43 6.890 29.526 29.414 163 HH21 ARG 43 HH22 ARG 43 7.520 26.877 27.294 164 HH22 ARG 43 HH21 ARG 43 7.816 28.571 27.633 165 H GLY 44 H GLY 44 7.887 21.279 31.391 166 HA2 GLY 44 HA2 GLY 44 10.674 21.698 30.841 167 HA3 GLY 44 HA3 GLY 44 9.944 20.125 31.026 168 H GLU 45 H GLU 45 11.920 21.055 29.128 169 HA GLU 45 HA GLU 45 10.719 21.410 26.488 170 HB2 GLU 45 HB2 GLU 45 13.541 20.435 27.041 171 HB3 GLU 45 HB3 GLU 45 12.935 21.345 25.663 172 HG2 GLU 45 HG2 GLU 45 13.908 23.097 26.694 173 HG3 GLU 45 HG3 GLU 45 12.417 23.163 27.624 174 H ALA 46 H ALA 46 11.010 19.973 24.679 175 HA ALA 46 HA ALA 46 10.291 17.201 25.302 176 HB1 ALA 46 HB1 ALA 46 9.541 17.909 23.118 177 HB2 ALA 46 HB2 ALA 46 11.193 18.420 22.664 178 HB3 ALA 46 HB3 ALA 46 10.789 16.705 22.922 179 H THR 47 H THR 47 11.631 15.699 26.028 180 HA THR 47 HA THR 47 14.543 15.903 25.577 181 HB THR 47 HB THR 47 14.857 14.344 27.299 182 HG1 THR 47 HG1 THR 47 13.097 13.346 28.325 183 HG21 THR 47 HG21 THR 47 14.161 16.611 28.079 184 HG22 THR 47 HG22 THR 47 12.502 15.972 28.272 185 HG23 THR 47 HG23 THR 47 13.841 15.284 29.222 186 H GLU 48 H GLU 48 15.355 13.302 25.708 187 HA GLU 48 HA GLU 48 14.591 12.408 23.030 188 HB2 GLU 48 HB2 GLU 48 16.656 11.441 25.036 189 HB3 GLU 48 HB3 GLU 48 16.457 10.738 23.419 190 HG2 GLU 48 HG2 GLU 48 16.920 12.962 22.396 191 HG3 GLU 48 HG3 GLU 48 17.223 13.638 23.997 192 H ASP 49 H ASP 49 13.897 11.407 26.431 193 HA ASP 49 HA ASP 49 12.501 8.973 25.412 194 HB2 ASP 49 HB2 ASP 49 14.672 8.542 26.543 195 HB3 ASP 49 HB3 ASP 49 14.120 9.477 27.932 196 H ASN 50 H ASN 50 11.901 11.982 26.442 197 HA ASN 50 HA ASN 50 9.311 11.394 27.253 198 HB2 ASN 50 HB2 ASN 50 10.845 11.461 29.472 199 HB3 ASN 50 HB3 ASN 50 10.785 13.219 29.217 200 HD21 ASN 50 HD22 ASN 50 8.507 14.083 28.898 201 HD22 ASN 50 HD21 ASN 50 7.398 13.218 29.930 202 HA PRO 51 HA PRO 51 10.124 15.046 24.547 203 HB2 PRO 51 HB3 PRO 51 9.078 14.081 22.231 204 HB3 PRO 51 HB2 PRO 51 10.634 13.472 22.836 205 HG2 PRO 51 HG3 PRO 51 7.881 12.286 23.439 206 HG3 PRO 51 HG2 PRO 51 9.265 11.510 22.631 207 HD2 PRO 51 HD3 PRO 51 9.031 11.153 25.222 208 HD3 PRO 51 HD2 PRO 51 10.620 11.557 24.551 209 H LEU 52 H LEU 52 8.279 15.581 22.811 210 HA LEU 52 HA LEU 52 5.650 15.955 24.207 211 HB2 LEU 52 HB3 LEU 52 7.129 18.106 22.666 212 HB3 LEU 52 HB2 LEU 52 5.576 18.287 23.478 213 HG LEU 52 HG LEU 52 8.021 17.531 25.078 214 HD11 LEU 52 HD11 LEU 52 8.536 19.586 23.800 215 HD12 LEU 52 HD12 LEU 52 7.104 20.338 24.527 216 HD13 LEU 52 HD13 LEU 52 8.480 19.782 25.549 217 HD21 LEU 52 HD21 LEU 52 6.880 18.676 26.888 218 HD22 LEU 52 HD22 LEU 52 5.487 18.987 25.817 219 HD23 LEU 52 HD23 LEU 52 5.973 17.321 26.225 220 H PHE 53 H PHE 53 3.943 16.670 22.752 221 HA PHE 53 HA PHE 53 3.916 16.270 19.942 222 HB2 PHE 53 HB2 PHE 53 2.851 14.213 19.691 223 HB3 PHE 53 HB3 PHE 53 4.132 13.837 20.812 224 HD1 PHE 53 HD1 PHE 53 3.397 14.088 23.450 225 HD2 PHE 53 HD2 PHE 53 0.732 13.383 20.122 226 HE1 PHE 53 HE1 PHE 53 1.663 13.250 25.009 227 HE2 PHE 53 HE2 PHE 53 -0.983 12.548 21.687 228 HZ PHE 53 HZ PHE 53 -0.536 12.486 24.114 229 H HIS 54 H HIS 54 1.187 15.765 19.619 230 HA HIS 54 HA HIS 54 -0.157 17.810 21.334 231 HB2 HIS 54 HB3 HIS 54 -0.590 17.562 18.359 232 HB3 HIS 54 HB2 HIS 54 -1.298 18.732 19.447 233 HD1 HIS 54 HD1 HIS 54 0.807 18.831 16.728 234 HD2 HIS 54 HD2 HIS 54 1.339 19.984 20.738 235 HE1 HIS 54 HE1 HIS 54 2.576 20.668 16.713 236 HA PRO 55 HA PRO 55 -2.924 14.110 21.222 237 HB2 PRO 55 HB3 PRO 55 -4.172 14.472 23.624 238 HB3 PRO 55 HB2 PRO 55 -2.526 13.850 23.545 239 HG2 PRO 55 HG3 PRO 55 -3.418 16.727 24.058 240 HG3 PRO 55 HG2 PRO 55 -2.461 15.802 24.998 241 HD2 PRO 55 HD3 PRO 55 -1.407 17.471 23.077 242 HD3 PRO 55 HD2 PRO 55 -0.582 15.909 23.380 243 H CYS 56 H CYS 56 -3.898 17.075 22.714 244 HA CYS 56 HA CYS 56 -6.345 17.424 21.375 245 HB2 CYS 56 HB2 CYS 56 -6.916 18.695 23.240 246 HB3 CYS 56 HB3 CYS 56 -6.017 17.298 23.775 247 H LYS 57 H LYS 57 -7.037 19.690 21.057 248 HA LYS 57 HA LYS 57 -5.060 21.118 19.354 249 HB2 LYS 57 HB2 LYS 57 -8.019 21.416 19.089 250 HB3 LYS 57 HB3 LYS 57 -6.766 21.720 17.889 251 HG2 LYS 57 HG2 LYS 57 -7.720 19.100 18.992 252 HG3 LYS 57 HG3 LYS 57 -8.138 19.717 17.389 253 HD2 LYS 57 HD3 LYS 57 -5.800 19.440 16.662 254 HD3 LYS 57 HD2 LYS 57 -5.321 18.923 18.281 255 HE2 LYS 57 HE2 LYS 57 -7.173 17.115 18.057 256 HE3 LYS 57 HE3 LYS 57 -7.141 17.476 16.330 257 HZ1 LYS 57 HZ1 LYS 57 -4.804 16.578 17.950 258 HZ2 LYS 57 HZ2 LYS 57 -5.628 15.645 16.907 259 HZ3 LYS 57 HZ3 LYS 57 -4.752 16.910 16.342 260 H CYS 58 H CYS 58 -5.248 21.620 22.266 261 HA CYS 58 HA CYS 58 -6.446 23.919 22.950 262 HB2 CYS 58 HB2 CYS 58 -3.725 22.787 23.569 263 HB3 CYS 58 HB3 CYS 58 -4.169 24.372 24.210 264 H ARG 59 H ARG 59 -4.435 23.734 20.325 265 HA ARG 59 HA ARG 59 -3.440 25.144 18.808 266 HB2 ARG 59 HB2 ARG 59 -5.749 25.974 18.823 267 HB3 ARG 59 HB3 ARG 59 -5.289 27.256 19.951 268 HG2 ARG 59 HG2 ARG 59 -3.768 28.234 18.293 269 HG3 ARG 59 HG3 ARG 59 -4.073 26.883 17.173 270 HD2 ARG 59 HD2 ARG 59 -6.458 27.489 17.073 271 HD3 ARG 59 HD3 ARG 59 -6.197 28.778 18.245 272 HE ARG 59 HE ARG 59 -5.193 30.128 16.631 273 HH11 ARG 59 HH12 ARG 59 -5.790 27.001 15.154 274 HH12 ARG 59 HH11 ARG 59 -5.473 27.605 13.551 275 HH21 ARG 59 HH22 ARG 59 -4.808 30.820 14.567 276 HH22 ARG 59 HH21 ARG 59 -4.934 29.710 13.234 277 H GLY 60 H GLY 60 -1.580 26.036 18.503 278 HA2 GLY 60 HA2 GLY 60 0.240 27.550 18.761 279 HA3 GLY 60 HA3 GLY 60 -0.453 28.136 20.271 280 H SER 61 H SER 61 1.734 27.936 21.155 281 HA SER 61 HA SER 61 3.178 25.471 21.321 282 HB2 SER 61 HB3 SER 61 4.454 26.657 23.103 283 HB3 SER 61 HB2 SER 61 4.289 27.582 21.600 284 HG SER 61 HG SER 61 3.851 28.872 23.453 285 H ILE 62 H ILE 62 0.602 26.753 23.388 286 HA ILE 62 HA ILE 62 1.142 24.884 25.557 287 HB ILE 62 HB ILE 62 -0.997 25.775 26.560 288 HG12 ILE 62 HG12 ILE 62 -1.689 28.040 25.799 289 HG13 ILE 62 HG13 ILE 62 -0.802 27.814 24.294 290 HG21 ILE 62 HG21 ILE 62 1.312 27.636 25.944 291 HG22 ILE 62 HG22 ILE 62 0.154 27.797 27.289 292 HG23 ILE 62 HG23 ILE 62 1.230 26.398 27.227 293 HD11 ILE 62 HD11 ILE 62 -2.278 25.898 23.724 294 HD12 ILE 62 HD12 ILE 62 -3.106 26.076 25.292 295 HD13 ILE 62 HD13 ILE 62 -3.229 27.356 24.070 296 H LYS 63 H LYS 63 0.233 23.942 22.736 297 HA LYS 63 HA LYS 63 -1.664 21.897 23.819 298 HB2 LYS 63 HB2 LYS 63 -2.507 21.478 21.770 299 HB3 LYS 63 HB3 LYS 63 -2.178 23.204 21.681 300 HG2 LYS 63 HG2 LYS 63 0.152 22.273 20.653 301 HG3 LYS 63 HG3 LYS 63 -0.895 20.898 20.282 302 HD2 LYS 63 HD2 LYS 63 -2.425 22.287 19.019 303 HD3 LYS 63 HD3 LYS 63 -1.587 23.756 19.524 304 HE2 LYS 63 HE3 LYS 63 -0.462 21.596 17.698 305 HE3 LYS 63 HE2 LYS 63 -1.044 23.192 17.216 306 HZ1 LYS 63 HZ1 LYS 63 1.397 22.521 18.718 307 HZ2 LYS 63 HZ2 LYS 63 1.254 23.478 17.405 308 HZ3 LYS 63 HZ3 LYS 63 0.756 24.020 18.883 309 H TYR 64 H TYR 64 1.691 22.364 22.994 310 HA TYR 64 HA TYR 64 2.465 19.628 22.817 311 HB2 TYR 64 HB3 TYR 64 3.917 22.167 23.581 312 HB3 TYR 64 HB2 TYR 64 4.668 20.608 23.820 313 HD1 TYR 64 HD2 TYR 64 4.444 18.924 21.733 314 HD2 TYR 64 HD1 TYR 64 4.458 23.229 21.510 315 HE1 TYR 64 HE2 TYR 64 5.216 18.773 19.396 316 HE2 TYR 64 HE1 TYR 64 5.191 23.083 19.124 317 HH TYR 64 HH TYR 64 5.615 19.935 17.460 318 H MET 65 H MET 65 2.867 18.061 24.463 319 HA MET 65 HA MET 65 2.654 18.749 27.286 320 HB2 MET 65 HB3 MET 65 0.775 16.970 25.637 321 HB3 MET 65 HB2 MET 65 0.969 16.767 27.380 322 HG2 MET 65 HG2 MET 65 0.026 18.861 27.863 323 HG3 MET 65 HG3 MET 65 0.133 19.390 26.173 324 HE1 MET 65 HE1 MET 65 -3.276 17.091 28.134 325 HE2 MET 65 HE2 MET 65 -1.586 16.642 28.471 326 HE3 MET 65 HE3 MET 65 -2.180 18.273 28.876 327 H HIS 66 H HIS 66 3.788 17.286 28.492 328 HA HIS 66 HA HIS 66 5.632 15.483 27.216 329 HB2 HIS 66 HB3 HIS 66 4.754 16.215 29.887 330 HB3 HIS 66 HB2 HIS 66 5.350 14.732 29.957 331 HD2 HIS 66 HD2 HIS 66 7.832 15.982 27.623 332 HE1 HIS 66 HE1 HIS 66 8.451 18.809 30.699 333 HE2 HIS 66 HE2 HIS 66 9.500 17.742 28.592 334 H GLU 67 H GLU 67 5.632 13.456 26.896 335 HA GLU 67 HA GLU 67 3.156 11.953 26.667 336 HB2 GLU 67 HB2 GLU 67 5.380 11.984 25.229 337 HB3 GLU 67 HB3 GLU 67 5.954 10.782 26.385 338 HG2 GLU 67 HG2 GLU 67 4.055 9.301 25.759 339 HG3 GLU 67 HG3 GLU 67 3.422 10.561 24.694 340 H SER 68 H SER 68 4.251 12.741 29.385 341 HA SER 68 HA SER 68 3.819 10.196 30.870 342 HB2 SER 68 HB2 SER 68 5.580 10.904 32.436 343 HB3 SER 68 HB3 SER 68 6.238 10.694 30.792 344 HG SER 68 HG SER 68 6.853 12.652 32.032 345 H CYS 69 H CYS 69 4.050 13.792 31.024 346 HA CYS 69 HA CYS 69 2.329 14.272 33.262 347 HB2 CYS 69 HB3 CYS 69 2.884 15.842 30.690 348 HB3 CYS 69 HB2 CYS 69 2.147 16.440 31.972 349 H LEU 70 H LEU 70 1.593 13.818 29.734 350 HA LEU 70 HA LEU 70 -1.222 14.435 30.106 351 HB2 LEU 70 HB2 LEU 70 -0.228 14.390 27.892 352 HB3 LEU 70 HB3 LEU 70 0.273 12.704 28.079 353 HG LEU 70 HG LEU 70 -2.150 12.009 28.250 354 HD11 LEU 70 HD11 LEU 70 -3.875 13.566 27.622 355 HD12 LEU 70 HD12 LEU 70 -3.070 14.199 29.039 356 HD13 LEU 70 HD13 LEU 70 -2.685 14.874 27.410 357 HD21 LEU 70 HD21 LEU 70 -1.425 13.574 25.786 358 HD22 LEU 70 HD22 LEU 70 -0.960 11.886 26.161 359 HD23 LEU 70 HD23 LEU 70 -2.668 12.295 25.899 360 H LEU 71 H LEU 71 0.656 11.411 30.147 361 HA LEU 71 HA LEU 71 -1.487 9.641 30.620 362 HB2 LEU 71 HB2 LEU 71 1.519 9.548 30.901 363 HB3 LEU 71 HB3 LEU 71 0.594 8.267 31.636 364 HG LEU 71 HG LEU 71 -0.465 7.732 29.460 365 HD11 LEU 71 HD11 LEU 71 1.404 9.859 28.323 366 HD12 LEU 71 HD12 LEU 71 0.536 8.650 27.362 367 HD13 LEU 71 HD13 LEU 71 -0.378 9.859 28.263 368 HD21 LEU 71 HD21 LEU 71 1.602 6.590 30.182 369 HD22 LEU 71 HD22 LEU 71 1.537 6.754 28.419 370 HD23 LEU 71 HD23 LEU 71 2.579 7.834 29.369 371 H GLU 72 H GLU 72 0.385 11.605 32.810 372 HA GLU 72 HA GLU 72 -0.628 10.600 35.363 373 HB2 GLU 72 HB3 GLU 72 0.863 12.954 34.336 374 HB3 GLU 72 HB2 GLU 72 0.499 12.951 35.964 375 HG2 GLU 72 HG2 GLU 72 2.095 10.666 34.732 376 HG3 GLU 72 HG3 GLU 72 2.830 12.113 35.423 377 H TRP 73 H TRP 73 -1.269 13.366 33.128 378 HA TRP 73 HA TRP 73 -3.088 14.764 34.833 379 HB2 TRP 73 HB2 TRP 73 -1.964 15.780 32.900 380 HB3 TRP 73 HB3 TRP 73 -2.848 14.724 31.807 381 HD1 TRP 73 HD1 TRP 73 -3.361 17.733 34.137 382 HE1 TRP 73 HE1 TRP 73 -5.541 18.951 33.493 383 HE3 TRP 73 HE3 TRP 73 -5.010 14.537 30.520 384 HZ2 TRP 73 HZ2 TRP 73 -7.821 18.462 31.783 385 HZ3 TRP 73 HZ3 TRP 73 -7.254 14.871 29.462 386 HH2 TRP 73 HH2 TRP 73 -8.672 16.797 30.133 387 H VAL 74 H VAL 74 -3.745 12.440 32.128 388 HA VAL 74 HA VAL 74 -6.615 12.228 32.745 389 HB VAL 74 HB VAL 74 -6.620 10.235 31.363 390 HG11 VAL 74 HG11 VAL 74 -5.902 11.149 29.255 391 HG12 VAL 74 HG12 VAL 74 -6.539 12.466 30.252 392 HG13 VAL 74 HG13 VAL 74 -4.780 12.264 30.047 393 HG21 VAL 74 HG21 VAL 74 -3.583 10.349 31.406 394 HG22 VAL 74 HG22 VAL 74 -4.626 9.032 31.957 395 HG23 VAL 74 HG23 VAL 74 -4.521 9.409 30.235 396 H ALA 75 H ALA 75 -3.726 10.669 34.038 397 HA ALA 75 HA ALA 75 -5.205 8.645 35.542 398 HB1 ALA 75 HB1 ALA 75 -2.453 9.821 36.103 399 HB2 ALA 75 HB2 ALA 75 -3.165 8.418 36.910 400 HB3 ALA 75 HB3 ALA 75 -2.812 8.340 35.182 401 H SER 76 H SER 76 -4.166 12.042 36.270 402 HA SER 76 HA SER 76 -5.263 11.941 38.938 403 HB2 SER 76 HB2 SER 76 -4.818 14.172 39.192 404 HB3 SER 76 HB3 SER 76 -3.549 13.586 38.116 405 HG SER 76 HG SER 76 -4.386 15.575 37.440 406 H LYS 77 H LYS 77 -7.036 11.873 36.006 407 HA LYS 77 HA LYS 77 -9.445 13.151 37.082 408 HB2 LYS 77 HB3 LYS 77 -8.847 11.635 34.482 409 HB3 LYS 77 HB2 LYS 77 -10.241 12.564 34.804 410 HG2 LYS 77 HG2 LYS 77 -7.494 13.578 34.440 411 HG3 LYS 77 HG3 LYS 77 -8.814 13.779 33.317 412 HD2 LYS 77 HD2 LYS 77 -9.924 15.358 34.743 413 HD3 LYS 77 HD3 LYS 77 -8.853 15.022 36.114 414 HE2 LYS 77 HE3 LYS 77 -7.875 16.144 33.474 415 HE3 LYS 77 HE2 LYS 77 -8.363 17.156 34.841 416 HZ1 LYS 77 HZ1 LYS 77 -5.952 16.712 34.829 417 HZ2 LYS 77 HZ2 LYS 77 -6.633 16.095 36.187 418 HZ3 LYS 77 HZ3 LYS 77 -6.205 15.104 34.982 419 H ASN 78 H ASN 78 -8.038 10.219 37.635 420 HA ASN 78 HA ASN 78 -8.753 8.333 38.584 421 HB2 ASN 78 HB2 ASN 78 -10.127 8.810 40.213 422 HB3 ASN 78 HB3 ASN 78 -10.529 10.317 39.476 423 HD21 ASN 78 HD22 ASN 78 -12.348 10.120 37.719 424 HD22 ASN 78 HD21 ASN 78 -13.730 9.145 38.243 425 H ILE 79 H ILE 79 -9.099 8.749 35.622 426 HA ILE 79 HA ILE 79 -10.943 6.485 34.999 427 HB ILE 79 HB ILE 79 -10.194 8.363 32.816 428 HG12 ILE 79 HG12 ILE 79 -12.083 9.296 35.017 429 HG13 ILE 79 HG13 ILE 79 -10.525 9.995 34.570 430 HG21 ILE 79 HG21 ILE 79 -11.779 6.430 32.525 431 HG22 ILE 79 HG22 ILE 79 -12.874 7.189 33.699 432 HG23 ILE 79 HG23 ILE 79 -12.528 7.963 32.140 433 HD11 ILE 79 HD11 ILE 79 -12.954 10.078 32.787 434 HD12 ILE 79 HD12 ILE 79 -12.260 11.394 33.750 435 HD13 ILE 79 HD13 ILE 79 -11.319 10.711 32.421 436 H ASP 80 H ASP 80 -10.358 5.333 32.918 437 HA ASP 80 HA ASP 80 -7.416 4.988 32.550 438 HB2 ASP 80 HB2 ASP 80 -8.306 3.224 33.982 439 HB3 ASP 80 HB3 ASP 80 -9.534 2.829 32.784 440 H ILE 81 H ILE 81 -7.048 5.798 30.630 441 HA ILE 81 HA ILE 81 -8.902 5.995 28.483 442 HB ILE 81 HB ILE 81 -7.178 6.886 27.189 443 HG12 ILE 81 HG12 ILE 81 -5.358 5.273 27.460 444 HG13 ILE 81 HG13 ILE 81 -4.848 6.941 27.585 445 HG21 ILE 81 HG21 ILE 81 -6.752 7.731 30.087 446 HG22 ILE 81 HG22 ILE 81 -6.289 8.653 28.658 447 HG23 ILE 81 HG23 ILE 81 -7.999 8.298 28.965 448 HD11 ILE 81 HD11 ILE 81 -4.665 6.745 30.040 449 HD12 ILE 81 HD12 ILE 81 -5.175 5.035 29.935 450 HD13 ILE 81 HD13 ILE 81 -3.658 5.564 29.191 451 H SER 82 H SER 82 -7.002 3.295 29.473 452 HA SER 82 HA SER 82 -6.769 2.069 26.852 453 HB2 SER 82 HB2 SER 82 -5.241 1.732 28.862 454 HB3 SER 82 HB3 SER 82 -6.518 0.732 29.569 455 HG SER 82 HG SER 82 -6.370 -0.587 27.641 456 H LYS 83 H LYS 83 -9.470 2.445 28.914 457 HA LYS 83 HA LYS 83 -10.698 -0.164 28.464 458 HB2 LYS 83 HB2 LYS 83 -11.806 2.472 29.515 459 HB3 LYS 83 HB3 LYS 83 -12.772 0.998 29.346 460 HG2 LYS 83 HG2 LYS 83 -11.139 -0.229 30.788 461 HG3 LYS 83 HG3 LYS 83 -10.261 1.289 31.050 462 HD2 LYS 83 HD2 LYS 83 -12.289 2.289 32.064 463 HD3 LYS 83 HD3 LYS 83 -13.183 0.781 31.760 464 HE2 LYS 83 HE2 LYS 83 -11.568 -0.461 33.188 465 HE3 LYS 83 HE3 LYS 83 -10.694 1.040 33.512 466 HZ1 LYS 83 HZ1 LYS 83 -12.720 1.907 34.572 467 HZ2 LYS 83 HZ2 LYS 83 -13.521 0.514 34.272 468 HZ3 LYS 83 HZ3 LYS 83 -12.254 0.523 35.298 469 HA PRO 84 HA PRO 84 -12.287 0.712 24.460 470 HB2 PRO 84 HB3 PRO 84 -13.968 -1.387 24.002 471 HB3 PRO 84 HB2 PRO 84 -12.211 -1.577 24.302 472 HG2 PRO 84 HG3 PRO 84 -14.464 -1.811 26.336 473 HG3 PRO 84 HG2 PRO 84 -13.174 -3.011 25.996 474 HD2 PRO 84 HD3 PRO 84 -12.984 -1.138 28.002 475 HD3 PRO 84 HD2 PRO 84 -11.556 -1.722 27.104 476 H GLY 85 H GLY 85 -13.909 1.560 26.924 477 HA2 GLY 85 HA2 GLY 85 -16.240 2.744 25.443 478 HA3 GLY 85 HA3 GLY 85 -16.373 2.184 27.119 479 H ALA 86 H ALA 86 -13.276 3.518 26.549 480 HA ALA 86 HA ALA 86 -13.742 5.731 28.321 481 HB1 ALA 86 HB1 ALA 86 -11.378 6.269 27.827 482 HB2 ALA 86 HB2 ALA 86 -11.594 4.549 28.181 483 HB3 ALA 86 HB3 ALA 86 -11.381 5.091 26.500 484 H ASP 87 H ASP 87 -13.891 7.882 27.998 485 HA ASP 87 HA ASP 87 -13.888 9.060 25.270 486 HB2 ASP 87 HB2 ASP 87 -16.242 8.416 25.885 487 HB3 ASP 87 HB3 ASP 87 -16.132 9.478 27.291 488 H VAL 88 H VAL 88 -11.965 9.044 27.322 489 HA VAL 88 HA VAL 88 -12.001 11.453 28.920 490 HB VAL 88 HB VAL 88 -9.665 9.651 28.134 491 HG11 VAL 88 HG11 VAL 88 -9.972 11.648 30.418 492 HG12 VAL 88 HG12 VAL 88 -8.642 10.483 30.253 493 HG13 VAL 88 HG13 VAL 88 -8.838 11.752 29.045 494 HG21 VAL 88 HG21 VAL 88 -11.568 9.477 30.492 495 HG22 VAL 88 HG22 VAL 88 -11.322 8.265 29.223 496 HG23 VAL 88 HG23 VAL 88 -10.032 8.585 30.378 497 H LYS 89 H LYS 89 -11.820 13.442 28.336 498 HA LYS 89 HA LYS 89 -9.604 14.089 26.571 499 HB2 LYS 89 HB3 LYS 89 -10.749 15.068 24.972 500 HB3 LYS 89 HB2 LYS 89 -11.762 13.660 25.215 501 HG2 LYS 89 HG2 LYS 89 -12.994 15.559 26.785 502 HG3 LYS 89 HG3 LYS 89 -12.230 16.531 25.518 503 HD2 LYS 89 HD2 LYS 89 -14.496 16.041 24.906 504 HD3 LYS 89 HD3 LYS 89 -13.356 15.365 23.770 505 HE2 LYS 89 HE3 LYS 89 -15.088 13.808 23.966 506 HE3 LYS 89 HE2 LYS 89 -13.730 13.101 24.831 507 HZ1 LYS 89 HZ1 LYS 89 -14.759 13.701 26.906 508 HZ2 LYS 89 HZ2 LYS 89 -15.940 14.585 26.170 509 HZ3 LYS 89 HZ3 LYS 89 -15.892 12.951 26.018 510 H CYS 90 H CYS 90 -9.590 16.473 26.062 511 HA CYS 90 HA CYS 90 -8.637 17.866 28.251 512 HB2 CYS 90 HB3 CYS 90 -8.280 18.073 25.662 513 HB3 CYS 90 HB2 CYS 90 -9.632 19.049 25.640 514 H ASP 91 H ASP 91 -9.267 19.926 29.020 515 HA ASP 91 HA ASP 91 -12.217 20.465 29.218 516 HB2 ASP 91 HB2 ASP 91 -10.993 19.752 31.343 517 HB3 ASP 91 HB3 ASP 91 -10.035 21.213 31.218 518 H ILE 92 H ILE 92 -9.219 21.538 28.038 519 HA ILE 92 HA ILE 92 -9.879 24.392 28.247 520 HB ILE 92 HB ILE 92 -7.577 23.010 26.872 521 HG12 ILE 92 HG12 ILE 92 -7.796 24.235 29.659 522 HG13 ILE 92 HG13 ILE 92 -7.454 22.551 29.241 523 HG21 ILE 92 HG21 ILE 92 -8.005 25.233 25.928 524 HG22 ILE 92 HG22 ILE 92 -7.968 25.957 27.555 525 HG23 ILE 92 HG23 ILE 92 -6.504 25.251 26.821 526 HD11 ILE 92 HD11 ILE 92 -5.274 23.308 28.221 527 HD12 ILE 92 HD12 ILE 92 -5.590 24.925 28.897 528 HD13 ILE 92 HD13 ILE 92 -5.410 23.540 29.978 529 H CYS 93 H CYS 93 -9.182 21.956 25.603 530 HA CYS 93 HA CYS 93 -10.680 23.730 23.744 531 HB2 CYS 93 HB2 CYS 93 -9.458 22.607 21.976 532 HB3 CYS 93 HB3 CYS 93 -8.390 23.370 23.147 533 H HIS 94 H HIS 94 -11.083 21.023 25.590 534 HA HIS 94 HA HIS 94 -12.408 19.223 25.659 535 HB2 HIS 94 HB3 HIS 94 -13.986 21.161 25.777 536 HB3 HIS 94 HB2 HIS 94 -14.372 20.889 24.078 537 HD1 HIS 94 HD1 HIS 94 -16.534 19.460 23.847 538 HD2 HIS 94 HD2 HIS 94 -14.291 18.616 27.304 539 HE1 HIS 94 HE1 HIS 94 -17.822 17.658 25.110 540 H TYR 95 H TYR 95 -10.685 19.431 23.026 541 HA TYR 95 HA TYR 95 -12.199 17.588 21.286 542 HB2 TYR 95 HB2 TYR 95 -9.285 18.442 21.229 543 HB3 TYR 95 HB3 TYR 95 -10.008 17.282 20.123 544 HD1 TYR 95 HD1 TYR 95 -11.783 17.955 18.499 545 HD2 TYR 95 HD2 TYR 95 -9.535 20.723 20.873 546 HE1 TYR 95 HE1 TYR 95 -12.462 19.793 16.963 547 HE2 TYR 95 HE2 TYR 95 -10.299 22.619 19.407 548 HH TYR 95 HH TYR 95 -12.386 22.048 16.537 549 HA PRO 96 HA PRO 96 -10.901 13.870 23.436 550 HB2 PRO 96 HB3 PRO 96 -10.916 12.732 20.627 551 HB3 PRO 96 HB2 PRO 96 -11.573 12.008 22.134 552 HG2 PRO 96 HG3 PRO 96 -13.235 13.228 20.352 553 HG3 PRO 96 HG2 PRO 96 -13.435 13.509 22.112 554 HD2 PRO 96 HD3 PRO 96 -12.100 15.286 20.122 555 HD3 PRO 96 HD2 PRO 96 -13.239 15.710 21.419 556 H ILE 97 H ILE 97 -9.121 13.291 24.097 557 HA ILE 97 HA ILE 97 -6.679 14.380 22.962 558 HB ILE 97 HB ILE 97 -7.672 13.128 25.498 559 HG12 ILE 97 HG12 ILE 97 -7.278 15.787 24.336 560 HG13 ILE 97 HG13 ILE 97 -8.218 15.335 25.662 561 HG21 ILE 97 HG21 ILE 97 -5.330 12.218 25.131 562 HG22 ILE 97 HG22 ILE 97 -4.775 13.855 25.494 563 HG23 ILE 97 HG23 ILE 97 -5.774 12.980 26.653 564 HD11 ILE 97 HD11 ILE 97 -5.292 16.019 25.688 565 HD12 ILE 97 HD12 ILE 97 -6.641 16.987 26.282 566 HD13 ILE 97 HD13 ILE 97 -6.227 15.479 27.134 567 H GLN 98 H GLN 98 -5.666 13.521 21.489 568 HA GLN 98 HA GLN 98 -5.919 10.659 20.834 569 HB2 GLN 98 HB2 GLN 98 -4.400 12.889 19.410 570 HB3 GLN 98 HB3 GLN 98 -4.582 11.232 18.821 571 HG2 GLN 98 HG2 GLN 98 -7.077 11.524 18.846 572 HG3 GLN 98 HG3 GLN 98 -6.845 13.221 19.280 573 HE21 GLN 98 HE22 GLN 98 -6.777 10.903 16.633 574 HE22 GLN 98 HE21 GLN 98 -6.362 12.088 15.402 575 H PHE 99 H PHE 99 -5.044 9.937 22.804 576 HA PHE 99 HA PHE 99 -2.492 10.094 23.784 577 HB2 PHE 99 HB2 PHE 99 -3.725 7.365 23.600 578 HB3 PHE 99 HB3 PHE 99 -2.960 8.169 24.947 579 HD1 PHE 99 HD2 PHE 99 -4.278 9.997 26.208 580 HD2 PHE 99 HD1 PHE 99 -6.071 7.310 23.348 581 HE1 PHE 99 HE2 PHE 99 -6.536 10.526 27.105 582 HE2 PHE 99 HE1 PHE 99 -8.318 7.837 24.258 583 HZ PHE 99 HZ PHE 99 -8.555 9.471 26.113 584 H LYS 100 H LYS 100 -0.497 9.135 23.473 585 HA LYS 100 HA LYS 100 -0.047 7.273 21.204 586 HB2 LYS 100 HB3 LYS 100 0.311 9.784 20.655 587 HB3 LYS 100 HB2 LYS 100 1.704 9.722 21.711 588 HG2 LYS 100 HG2 LYS 100 1.190 8.078 19.200 589 HG3 LYS 100 HG3 LYS 100 2.244 9.480 19.325 590 HD2 LYS 100 HD2 LYS 100 2.728 6.706 20.458 591 HD3 LYS 100 HD3 LYS 100 3.628 7.535 19.198 592 HE2 LYS 100 HE2 LYS 100 4.453 9.208 20.797 593 HE3 LYS 100 HE3 LYS 100 3.463 8.516 22.076 594 HZ1 LYS 100 HZ1 LYS 100 5.800 7.230 20.809 595 HZ2 LYS 100 HZ2 LYS 100 5.607 7.710 22.377 596 HZ3 LYS 100 HZ3 LYS 100 4.778 6.421 21.811 597 H THR 101 H THR 101 1.031 5.584 21.909 598 HA THR 101 HA THR 101 3.058 5.785 24.091 599 HB THR 101 HB THR 101 0.983 3.569 23.934 600 HG1 THR 101 HG1 THR 101 0.129 4.542 25.762 601 HG21 THR 101 HG21 THR 101 3.146 2.887 24.958 602 HG22 THR 101 HG22 THR 101 3.080 4.294 26.042 603 HG23 THR 101 HG23 THR 101 1.873 2.994 26.179 Start of MODEL 6 1 H1 VAL 19 H1 VAL 19 11.395 49.258 -0.188 2 H2 VAL 19 H2 VAL 19 10.222 50.386 -0.278 3 H3 VAL 19 H3 VAL 19 10.297 49.207 -1.407 4 HA VAL 19 HA VAL 19 8.505 48.784 0.153 5 HB VAL 19 HB VAL 19 9.096 46.506 0.889 6 HG11 VAL 19 HG11 VAL 19 8.277 46.959 -1.406 7 HG12 VAL 19 HG12 VAL 19 9.962 47.052 -1.979 8 HG13 VAL 19 HG13 VAL 19 9.330 45.541 -1.307 9 HG21 VAL 19 HG21 VAL 19 11.209 45.462 0.316 10 HG22 VAL 19 HG22 VAL 19 11.863 46.982 -0.314 11 HG23 VAL 19 HG23 VAL 19 11.513 46.802 1.424 12 H ALA 20 H ALA 20 7.822 48.222 2.307 13 HA ALA 20 HA ALA 20 9.635 49.065 4.519 14 HB1 ALA 20 HB1 ALA 20 6.799 50.082 4.035 15 HB2 ALA 20 HB2 ALA 20 7.853 50.507 5.401 16 HB3 ALA 20 HB3 ALA 20 8.291 51.011 3.762 17 H ASN 21 H ASN 21 8.536 46.426 3.554 18 HA ASN 21 HA ASN 21 7.545 45.409 6.165 19 HB2 ASN 21 HB2 ASN 21 6.224 44.884 3.457 20 HB3 ASN 21 HB3 ASN 21 5.851 44.010 4.941 21 HD21 ASN 21 HD22 ASN 21 4.968 45.295 6.794 22 HD22 ASN 21 HD21 ASN 21 3.991 46.701 6.394 23 H GLU 22 H GLU 22 7.837 43.202 6.482 24 HA GLU 22 HA GLU 22 10.327 42.125 5.805 25 HB2 GLU 22 HB2 GLU 22 7.795 40.769 6.837 26 HB3 GLU 22 HB3 GLU 22 9.356 39.974 6.718 27 HG2 GLU 22 HG3 GLU 22 9.103 40.665 8.970 28 HG3 GLU 22 HG2 GLU 22 10.377 41.623 8.223 29 H GLU 23 H GLU 23 11.082 40.409 4.564 30 HA GLU 23 HA GLU 23 9.772 39.932 2.002 31 HB2 GLU 23 HB2 GLU 23 11.927 38.868 1.430 32 HB3 GLU 23 HB3 GLU 23 12.061 40.543 1.939 33 HG2 GLU 23 HG2 GLU 23 12.869 39.847 4.172 34 HG3 GLU 23 HG3 GLU 23 12.724 38.153 3.716 35 H THR 24 H THR 24 8.054 38.930 3.446 36 HA THR 24 HA THR 24 6.861 37.160 4.290 37 HB THR 24 HB THR 24 6.484 35.458 2.689 38 HG1 THR 24 HG1 THR 24 9.104 36.048 1.884 39 HG21 THR 24 HG21 THR 24 7.395 37.916 1.137 40 HG22 THR 24 HG22 THR 24 6.194 36.703 0.643 41 HG23 THR 24 HG23 THR 24 5.857 37.775 2.016 42 H ASP 25 H ASP 25 7.141 34.352 4.142 43 HA ASP 25 HA ASP 25 9.501 33.543 5.677 44 HB2 ASP 25 HB2 ASP 25 8.028 34.476 7.435 45 HB3 ASP 25 HB3 ASP 25 6.694 33.465 6.872 46 H THR 26 H THR 26 9.913 31.376 5.415 47 HA THR 26 HA THR 26 7.929 29.426 4.586 48 HB THR 26 HB THR 26 8.343 30.613 2.440 49 HG1 THR 26 HG1 THR 26 8.645 28.741 1.285 50 HG21 THR 26 HG21 THR 26 10.752 31.196 2.734 51 HG22 THR 26 HG22 THR 26 11.169 29.474 2.579 52 HG23 THR 26 HG23 THR 26 10.423 30.341 1.221 53 H ALA 27 H ALA 27 8.852 27.256 4.356 54 HA ALA 27 HA ALA 27 11.606 26.754 5.219 55 HB1 ALA 27 HB1 ALA 27 9.238 25.937 6.976 56 HB2 ALA 27 HB2 ALA 27 10.934 25.474 7.236 57 HB3 ALA 27 HB3 ALA 27 10.451 27.172 7.381 58 H THR 28 H THR 28 12.163 24.478 5.206 59 HA THR 28 HA THR 28 10.705 22.854 3.195 60 HB THR 28 HB THR 28 12.823 21.530 3.245 61 HG1 THR 28 HG1 THR 28 14.604 22.477 4.270 62 HG21 THR 28 HG21 THR 28 14.116 23.224 2.008 63 HG22 THR 28 HG22 THR 28 12.384 23.364 1.628 64 HG23 THR 28 HG23 THR 28 13.134 24.519 2.744 65 H PHE 29 H PHE 29 9.840 23.196 5.834 66 HA PHE 29 HA PHE 29 9.473 20.385 6.801 67 HB2 PHE 29 HB3 PHE 29 11.278 21.359 8.135 68 HB3 PHE 29 HB2 PHE 29 10.305 22.782 8.486 69 HD1 PHE 29 HD2 PHE 29 10.565 19.097 9.051 70 HD2 PHE 29 HD1 PHE 29 8.734 22.801 10.297 71 HE1 PHE 29 HE2 PHE 29 9.645 17.969 11.067 72 HE2 PHE 29 HE1 PHE 29 7.820 21.671 12.310 73 HZ PHE 29 HZ PHE 29 8.272 19.252 12.688 74 H ASN 30 H ASN 30 7.483 19.919 7.689 75 HA ASN 30 HA ASN 30 5.490 21.998 8.255 76 HB2 ASN 30 HB3 ASN 30 5.434 21.745 5.774 77 HB3 ASN 30 HB2 ASN 30 5.103 20.025 5.973 78 HD21 ASN 30 HD22 ASN 30 3.030 19.966 5.126 79 HD22 ASN 30 HD21 ASN 30 1.684 20.880 5.801 80 H ASP 31 H ASP 31 6.153 20.733 10.348 81 HA ASP 31 HA ASP 31 3.958 18.926 10.944 82 HB2 ASP 31 HB2 ASP 31 5.778 17.407 10.099 83 HB3 ASP 31 HB3 ASP 31 6.792 17.936 11.429 84 H ASP 32 H ASP 32 4.482 21.492 11.566 85 HA ASP 32 HA ASP 32 4.465 23.088 13.077 86 HB2 ASP 32 HB2 ASP 32 2.559 21.666 13.812 87 HB3 ASP 32 HB3 ASP 32 3.599 21.020 15.083 88 H ALA 33 H ALA 33 5.899 20.591 14.839 89 HA ALA 33 HA ALA 33 7.300 20.887 16.831 90 HB1 ALA 33 HB1 ALA 33 8.170 19.408 15.086 91 HB2 ALA 33 HB2 ALA 33 9.034 20.797 14.363 92 HB3 ALA 33 HB3 ALA 33 9.465 20.238 15.983 93 HA PRO 34 HA PRO 34 8.221 25.380 16.941 94 HB2 PRO 34 HB3 PRO 34 8.274 24.808 19.871 95 HB3 PRO 34 HB2 PRO 34 7.488 26.128 19.001 96 HG2 PRO 34 HG3 PRO 34 6.125 23.928 20.053 97 HG3 PRO 34 HG2 PRO 34 5.597 24.767 18.601 98 HD2 PRO 34 HD3 PRO 34 7.022 22.155 18.800 99 HD3 PRO 34 HD2 PRO 34 5.845 22.716 17.584 100 H SER 35 H SER 35 10.117 26.453 17.319 101 HA SER 35 HA SER 35 12.507 24.916 18.014 102 HB2 SER 35 HB2 SER 35 12.232 27.865 17.272 103 HB3 SER 35 HB3 SER 35 13.752 26.955 17.373 104 HG SER 35 HG SER 35 12.971 27.113 15.217 105 H GLY 36 H GLY 36 10.642 25.223 20.062 106 HA2 GLY 36 HA2 GLY 36 12.135 25.723 22.386 107 HA3 GLY 36 HA3 GLY 36 11.240 27.216 22.037 108 H ALA 37 H ALA 37 10.196 23.857 21.454 109 HA ALA 37 HA ALA 37 7.588 24.365 22.615 110 HB1 ALA 37 HB1 ALA 37 7.122 22.052 22.122 111 HB2 ALA 37 HB2 ALA 37 7.934 22.786 20.741 112 HB3 ALA 37 HB3 ALA 37 8.846 21.705 21.826 113 H THR 38 H THR 38 6.701 23.004 24.250 114 HA THR 38 HA THR 38 8.284 21.890 26.333 115 HB THR 38 HB THR 38 7.572 23.375 28.219 116 HG1 THR 38 HG1 THR 38 7.116 25.234 26.135 117 HG21 THR 38 HG21 THR 38 9.402 24.879 26.343 118 HG22 THR 38 HG22 THR 38 9.429 24.805 28.115 119 HG23 THR 38 HG23 THR 38 9.881 23.379 27.150 120 H CYS 39 H CYS 39 7.001 21.249 28.287 121 HA CYS 39 HA CYS 39 4.404 20.120 27.526 122 HB2 CYS 39 HB2 CYS 39 6.074 18.843 28.694 123 HB3 CYS 39 HB3 CYS 39 6.182 19.986 29.992 124 H ARG 40 H ARG 40 2.382 21.035 27.958 125 HA ARG 40 HA ARG 40 2.310 23.569 29.399 126 HB2 ARG 40 HB2 ARG 40 0.012 23.535 28.868 127 HB3 ARG 40 HB3 ARG 40 0.899 22.885 27.502 128 HG2 ARG 40 HG2 ARG 40 -0.445 21.119 27.463 129 HG3 ARG 40 HG3 ARG 40 0.185 20.586 29.013 130 HD2 ARG 40 HD2 ARG 40 -1.542 21.746 30.224 131 HD3 ARG 40 HD3 ARG 40 -2.045 22.645 28.803 132 HE ARG 40 HE ARG 40 -2.914 19.994 29.546 133 HH11 ARG 40 HH12 ARG 40 -2.388 21.991 26.675 134 HH12 ARG 40 HH11 ARG 40 -3.825 21.351 25.909 135 HH21 ARG 40 HH22 ARG 40 -4.660 19.163 28.376 136 HH22 ARG 40 HH21 ARG 40 -4.993 19.809 26.794 137 H ILE 41 H ILE 41 2.576 20.458 30.634 138 HA ILE 41 HA ILE 41 0.961 20.989 33.065 139 HB ILE 41 HB ILE 41 2.453 18.536 32.102 140 HG12 ILE 41 HG12 ILE 41 -0.537 18.997 32.474 141 HG13 ILE 41 HG13 ILE 41 0.268 19.235 30.936 142 HG21 ILE 41 HG21 ILE 41 2.526 18.551 34.557 143 HG22 ILE 41 HG22 ILE 41 0.771 18.839 34.622 144 HG23 ILE 41 HG23 ILE 41 1.434 17.313 33.997 145 HD11 ILE 41 HD11 ILE 41 -0.859 17.054 31.099 146 HD12 ILE 41 HD12 ILE 41 0.865 16.930 30.724 147 HD13 ILE 41 HD13 ILE 41 0.269 16.548 32.355 148 H CYS 42 H CYS 42 4.439 20.600 32.083 149 HA CYS 42 HA CYS 42 5.108 21.716 34.802 150 HB2 CYS 42 HB2 CYS 42 6.901 20.096 35.022 151 HB3 CYS 42 HB3 CYS 42 5.335 19.297 34.838 152 H ARG 43 H ARG 43 5.383 22.489 31.651 153 HA ARG 43 HA ARG 43 6.625 23.938 30.438 154 HB2 ARG 43 HB3 ARG 43 7.700 24.926 33.112 155 HB3 ARG 43 HB2 ARG 43 7.858 25.763 31.580 156 HG2 ARG 43 HG3 ARG 43 5.207 25.170 32.941 157 HG3 ARG 43 HG2 ARG 43 6.088 26.693 33.024 158 HD2 ARG 43 HD2 ARG 43 5.922 26.990 30.590 159 HD3 ARG 43 HD3 ARG 43 5.057 25.464 30.425 160 HE ARG 43 HE ARG 43 3.981 28.023 31.313 161 HH11 ARG 43 HH22 ARG 43 3.474 24.595 31.550 162 HH12 ARG 43 HH21 ARG 43 1.764 24.733 31.868 163 HH21 ARG 43 HH12 ARG 43 1.786 28.189 31.744 164 HH22 ARG 43 HH11 ARG 43 0.845 26.749 31.998 165 H GLY 44 H GLY 44 7.803 21.266 31.221 166 HA2 GLY 44 HA2 GLY 44 10.707 21.749 30.950 167 HA3 GLY 44 HA3 GLY 44 9.916 20.181 31.051 168 H GLU 45 H GLU 45 11.945 21.264 29.086 169 HA GLU 45 HA GLU 45 10.601 21.519 26.486 170 HB2 GLU 45 HB2 GLU 45 13.499 20.973 27.229 171 HB3 GLU 45 HB3 GLU 45 12.908 21.372 25.618 172 HG2 GLU 45 HG2 GLU 45 12.162 23.587 26.390 173 HG3 GLU 45 HG3 GLU 45 12.717 23.230 28.027 174 H ALA 46 H ALA 46 11.043 20.106 24.731 175 HA ALA 46 HA ALA 46 10.404 17.319 25.255 176 HB1 ALA 46 HB1 ALA 46 9.892 18.181 23.016 177 HB2 ALA 46 HB2 ALA 46 11.603 18.598 22.752 178 HB3 ALA 46 HB3 ALA 46 11.082 16.902 22.864 179 H THR 47 H THR 47 11.614 15.479 25.328 180 HA THR 47 HA THR 47 14.595 15.708 25.091 181 HB THR 47 HB THR 47 14.972 14.239 26.955 182 HG1 THR 47 HG1 THR 47 13.226 13.813 28.395 183 HG21 THR 47 HG21 THR 47 14.488 15.703 28.791 184 HG22 THR 47 HG22 THR 47 14.864 16.685 27.356 185 HG23 THR 47 HG23 THR 47 13.169 16.490 27.890 186 H GLU 48 H GLU 48 15.751 13.876 24.666 187 HA GLU 48 HA GLU 48 14.745 12.059 22.839 188 HB2 GLU 48 HB2 GLU 48 17.042 13.120 23.350 189 HB3 GLU 48 HB3 GLU 48 17.186 11.900 24.622 190 HG2 GLU 48 HG2 GLU 48 17.269 10.126 22.937 191 HG3 GLU 48 HG3 GLU 48 16.771 11.252 21.668 192 H ASP 49 H ASP 49 13.826 11.942 25.756 193 HA ASP 49 HA ASP 49 13.688 8.972 26.118 194 HB2 ASP 49 HB2 ASP 49 15.525 9.844 27.572 195 HB3 ASP 49 HB3 ASP 49 14.371 10.923 28.353 196 H ASN 50 H ASN 50 12.226 12.144 26.337 197 HA ASN 50 HA ASN 50 9.629 10.994 26.549 198 HB2 ASN 50 HB2 ASN 50 10.296 11.080 28.980 199 HB3 ASN 50 HB3 ASN 50 10.890 12.717 28.750 200 HD21 ASN 50 HD22 ASN 50 9.652 14.165 29.555 201 HD22 ASN 50 HD21 ASN 50 7.967 13.963 29.761 202 HA PRO 51 HA PRO 51 10.076 14.578 23.681 203 HB2 PRO 51 HB3 PRO 51 8.109 12.667 22.357 204 HB3 PRO 51 HB2 PRO 51 9.326 13.755 21.593 205 HG2 PRO 51 HG3 PRO 51 10.002 11.188 21.880 206 HG3 PRO 51 HG2 PRO 51 11.082 12.511 22.499 207 HD2 PRO 51 HD3 PRO 51 9.216 10.858 24.191 208 HD3 PRO 51 HD2 PRO 51 10.956 11.145 24.335 209 H LEU 52 H LEU 52 8.450 15.763 22.590 210 HA LEU 52 HA LEU 52 5.834 15.995 24.058 211 HB2 LEU 52 HB2 LEU 52 7.328 18.201 22.605 212 HB3 LEU 52 HB3 LEU 52 5.771 18.348 23.411 213 HG LEU 52 HG LEU 52 8.210 17.528 24.969 214 HD11 LEU 52 HD11 LEU 52 8.563 19.816 25.574 215 HD12 LEU 52 HD12 LEU 52 8.682 19.687 23.817 216 HD13 LEU 52 HD13 LEU 52 7.190 20.344 24.544 217 HD21 LEU 52 HD21 LEU 52 6.994 18.630 26.799 218 HD22 LEU 52 HD22 LEU 52 5.604 18.874 25.714 219 HD23 LEU 52 HD23 LEU 52 6.190 17.232 26.101 220 H PHE 53 H PHE 53 4.013 16.379 22.956 221 HA PHE 53 HA PHE 53 3.823 16.749 20.084 222 HB2 PHE 53 HB2 PHE 53 2.822 14.731 19.490 223 HB3 PHE 53 HB3 PHE 53 4.148 14.188 20.491 224 HD1 PHE 53 HD2 PHE 53 3.478 13.937 23.145 225 HD2 PHE 53 HD1 PHE 53 0.718 13.797 19.826 226 HE1 PHE 53 HE2 PHE 53 1.802 12.804 24.577 227 HE2 PHE 53 HE1 PHE 53 -0.938 12.645 21.257 228 HZ PHE 53 HZ PHE 53 -0.412 12.172 23.636 229 H HIS 54 H HIS 54 1.223 16.578 19.613 230 HA HIS 54 HA HIS 54 -0.166 17.728 21.966 231 HB2 HIS 54 HB2 HIS 54 -1.340 19.271 20.727 232 HB3 HIS 54 HB3 HIS 54 0.377 19.462 20.387 233 HD1 HIS 54 HD1 HIS 54 -2.938 18.899 18.662 234 HD2 HIS 54 HD2 HIS 54 1.196 18.709 17.836 235 HE1 HIS 54 HE1 HIS 54 -2.708 18.915 16.126 236 HA PRO 55 HA PRO 55 -2.846 14.138 21.002 237 HB2 PRO 55 HB3 PRO 55 -4.201 14.094 23.382 238 HB3 PRO 55 HB2 PRO 55 -2.522 13.638 23.387 239 HG2 PRO 55 HG3 PRO 55 -3.714 16.424 23.827 240 HG3 PRO 55 HG2 PRO 55 -2.782 15.547 24.948 241 HD2 PRO 55 HD3 PRO 55 -1.602 17.325 23.318 242 HD3 PRO 55 HD2 PRO 55 -0.775 15.747 23.510 243 H CYS 56 H CYS 56 -3.527 17.409 21.590 244 HA CYS 56 HA CYS 56 -6.436 17.171 21.120 245 HB2 CYS 56 HB3 CYS 56 -5.566 17.357 23.482 246 HB3 CYS 56 HB2 CYS 56 -5.377 19.107 23.046 247 H LYS 57 H LYS 57 -6.804 20.016 21.555 248 HA LYS 57 HA LYS 57 -5.641 21.259 19.158 249 HB2 LYS 57 HB3 LYS 57 -8.169 20.037 19.576 250 HB3 LYS 57 HB2 LYS 57 -8.495 21.747 19.727 251 HG2 LYS 57 HG2 LYS 57 -7.047 20.239 17.553 252 HG3 LYS 57 HG3 LYS 57 -8.726 20.819 17.408 253 HD2 LYS 57 HD2 LYS 57 -7.786 23.162 17.780 254 HD3 LYS 57 HD3 LYS 57 -6.179 22.463 17.553 255 HE2 LYS 57 HE2 LYS 57 -6.933 21.550 15.322 256 HE3 LYS 57 HE3 LYS 57 -8.487 22.358 15.541 257 HZ1 LYS 57 HZ1 LYS 57 -5.864 23.750 15.356 258 HZ2 LYS 57 HZ2 LYS 57 -6.990 23.694 14.177 259 HZ3 LYS 57 HZ3 LYS 57 -7.310 24.493 15.562 260 H CYS 58 H CYS 58 -5.622 21.556 22.243 261 HA CYS 58 HA CYS 58 -6.666 23.835 23.237 262 HB2 CYS 58 HB2 CYS 58 -3.819 23.045 23.858 263 HB3 CYS 58 HB3 CYS 58 -5.056 23.695 24.939 264 H ARG 59 H ARG 59 -4.247 23.771 20.910 265 HA ARG 59 HA ARG 59 -3.160 25.288 19.558 266 HB2 ARG 59 HB2 ARG 59 -5.588 26.133 19.597 267 HB3 ARG 59 HB3 ARG 59 -4.995 27.467 20.587 268 HG2 ARG 59 HG2 ARG 59 -3.588 28.259 18.763 269 HG3 ARG 59 HG3 ARG 59 -3.847 26.757 17.853 270 HD2 ARG 59 HD2 ARG 59 -5.230 28.435 16.870 271 HD3 ARG 59 HD3 ARG 59 -6.270 27.280 17.698 272 HE ARG 59 HE ARG 59 -5.630 30.082 18.540 273 HH11 ARG 59 HH11 ARG 59 -7.665 27.276 19.119 274 HH12 ARG 59 HH12 ARG 59 -8.748 28.176 20.141 275 HH21 ARG 59 HH22 ARG 59 -7.048 31.145 19.855 276 HH22 ARG 59 HH21 ARG 59 -8.404 30.301 20.542 277 H GLY 60 H GLY 60 -1.753 27.222 19.394 278 HA2 GLY 60 HA2 GLY 60 0.055 28.463 20.142 279 HA3 GLY 60 HA3 GLY 60 -0.782 28.643 21.684 280 H SER 61 H SER 61 1.515 28.521 22.496 281 HA SER 61 HA SER 61 3.112 26.176 22.337 282 HB2 SER 61 HB2 SER 61 2.957 28.168 24.632 283 HB3 SER 61 HB3 SER 61 4.299 27.064 24.270 284 HG SER 61 HG SER 61 4.663 29.189 23.451 285 H ILE 62 H ILE 62 0.428 26.944 24.565 286 HA ILE 62 HA ILE 62 0.961 24.778 26.362 287 HB ILE 62 HB ILE 62 -1.188 25.289 27.402 288 HG12 ILE 62 HG12 ILE 62 -2.351 27.437 26.712 289 HG13 ILE 62 HG13 ILE 62 -1.578 27.296 25.137 290 HG21 ILE 62 HG21 ILE 62 0.491 27.754 26.815 291 HG22 ILE 62 HG22 ILE 62 -0.533 27.459 28.233 292 HG23 ILE 62 HG23 ILE 62 0.902 26.463 27.970 293 HD11 ILE 62 HD11 ILE 62 -3.405 25.185 26.386 294 HD12 ILE 62 HD12 ILE 62 -3.931 26.435 25.244 295 HD13 ILE 62 HD13 ILE 62 -2.789 25.194 24.716 296 H LYS 63 H LYS 63 0.043 24.346 23.258 297 HA LYS 63 HA LYS 63 -1.853 22.134 23.769 298 HB2 LYS 63 HB2 LYS 63 -2.200 22.036 21.494 299 HB3 LYS 63 HB3 LYS 63 -1.869 23.747 21.766 300 HG2 LYS 63 HG2 LYS 63 0.564 23.227 21.088 301 HG3 LYS 63 HG3 LYS 63 -0.043 21.649 20.573 302 HD2 LYS 63 HD2 LYS 63 -1.668 22.767 19.057 303 HD3 LYS 63 HD3 LYS 63 -0.960 24.336 19.479 304 HE2 LYS 63 HE2 LYS 63 0.563 21.996 18.240 305 HE3 LYS 63 HE3 LYS 63 -0.123 23.332 17.318 306 HZ1 LYS 63 HZ1 LYS 63 2.232 23.660 17.795 307 HZ2 LYS 63 HZ2 LYS 63 1.342 24.857 18.478 308 HZ3 LYS 63 HZ3 LYS 63 1.964 23.661 19.409 309 H TYR 64 H TYR 64 1.597 22.483 23.594 310 HA TYR 64 HA TYR 64 2.067 19.651 23.004 311 HB2 TYR 64 HB3 TYR 64 3.820 22.040 23.418 312 HB3 TYR 64 HB2 TYR 64 4.471 20.452 23.804 313 HD1 TYR 64 HD2 TYR 64 2.105 21.255 20.973 314 HD2 TYR 64 HD1 TYR 64 6.079 20.126 22.153 315 HE1 TYR 64 HE2 TYR 64 2.649 20.683 18.608 316 HE2 TYR 64 HE1 TYR 64 6.619 19.530 19.818 317 HH TYR 64 HH TYR 64 5.807 19.285 17.680 318 H MET 65 H MET 65 3.066 18.188 24.387 319 HA MET 65 HA MET 65 2.857 18.482 27.327 320 HB2 MET 65 HB2 MET 65 1.058 16.555 25.755 321 HB3 MET 65 HB3 MET 65 1.218 16.621 27.510 322 HG2 MET 65 HG2 MET 65 0.206 18.861 27.524 323 HG3 MET 65 HG3 MET 65 0.073 18.821 25.760 324 HE1 MET 65 HE1 MET 65 -0.850 16.327 28.722 325 HE2 MET 65 HE2 MET 65 -1.537 17.924 29.112 326 HE3 MET 65 HE3 MET 65 -2.612 16.565 28.721 327 H HIS 66 H HIS 66 4.156 16.891 28.350 328 HA HIS 66 HA HIS 66 5.843 15.187 26.652 329 HB2 HIS 66 HB2 HIS 66 5.433 15.080 29.637 330 HB3 HIS 66 HB3 HIS 66 6.550 14.170 28.694 331 HD2 HIS 66 HD2 HIS 66 8.373 16.006 27.185 332 HE1 HIS 66 HE1 HIS 66 8.424 18.723 30.450 333 HE2 HIS 66 HE2 HIS 66 9.699 17.956 28.340 334 H GLU 67 H GLU 67 5.788 12.914 26.482 335 HA GLU 67 HA GLU 67 3.245 11.638 26.268 336 HB2 GLU 67 HB3 GLU 67 5.388 10.930 25.177 337 HB3 GLU 67 HB2 GLU 67 5.994 10.394 26.750 338 HG2 GLU 67 HG3 GLU 67 4.053 8.782 26.874 339 HG3 GLU 67 HG2 GLU 67 3.616 9.257 25.227 340 H SER 68 H SER 68 5.699 11.442 28.908 341 HA SER 68 HA SER 68 4.139 9.758 30.631 342 HB2 SER 68 HB3 SER 68 6.617 10.156 30.755 343 HB3 SER 68 HB2 SER 68 6.287 11.784 31.370 344 HG SER 68 HG SER 68 5.677 9.270 32.578 345 H CYS 69 H CYS 69 4.437 13.381 30.537 346 HA CYS 69 HA CYS 69 2.797 13.860 32.819 347 HB2 CYS 69 HB2 CYS 69 3.407 15.590 30.392 348 HB3 CYS 69 HB3 CYS 69 2.606 16.148 31.867 349 H LEU 70 H LEU 70 1.854 13.696 29.314 350 HA LEU 70 HA LEU 70 -0.928 14.241 29.711 351 HB2 LEU 70 HB2 LEU 70 -0.047 14.097 27.408 352 HB3 LEU 70 HB3 LEU 70 0.502 12.440 27.695 353 HG LEU 70 HG LEU 70 -1.931 11.763 27.901 354 HD11 LEU 70 HD11 LEU 70 -2.396 14.629 26.991 355 HD12 LEU 70 HD12 LEU 70 -3.624 13.362 27.161 356 HD13 LEU 70 HD13 LEU 70 -2.831 13.994 28.602 357 HD21 LEU 70 HD21 LEU 70 -0.736 11.602 25.787 358 HD22 LEU 70 HD22 LEU 70 -2.441 12.034 25.524 359 HD23 LEU 70 HD23 LEU 70 -1.182 13.290 25.402 360 H LEU 71 H LEU 71 0.923 11.172 29.894 361 HA LEU 71 HA LEU 71 -1.302 9.509 30.385 362 HB2 LEU 71 HB2 LEU 71 1.661 9.313 30.526 363 HB3 LEU 71 HB3 LEU 71 0.831 8.214 31.596 364 HG LEU 71 HG LEU 71 -0.343 7.148 29.808 365 HD11 LEU 71 HD11 LEU 71 -0.824 9.032 28.271 366 HD12 LEU 71 HD12 LEU 71 0.898 9.125 27.851 367 HD13 LEU 71 HD13 LEU 71 -0.050 7.688 27.433 368 HD21 LEU 71 HD21 LEU 71 2.562 7.642 29.021 369 HD22 LEU 71 HD22 LEU 71 1.994 6.467 30.231 370 HD23 LEU 71 HD23 LEU 71 1.567 6.252 28.523 371 H GLU 72 H GLU 72 0.332 11.646 32.644 372 HA GLU 72 HA GLU 72 -1.017 10.389 34.992 373 HB2 GLU 72 HB2 GLU 72 0.530 13.008 34.918 374 HB3 GLU 72 HB3 GLU 72 -0.084 12.107 36.308 375 HG2 GLU 72 HG2 GLU 72 1.503 10.184 35.323 376 HG3 GLU 72 HG3 GLU 72 2.269 11.532 34.486 377 H TRP 73 H TRP 73 -1.276 13.182 32.834 378 HA TRP 73 HA TRP 73 -3.047 14.816 34.307 379 HB2 TRP 73 HB3 TRP 73 -1.679 15.135 32.171 380 HB3 TRP 73 HB2 TRP 73 -2.984 14.478 31.290 381 HD1 TRP 73 HD1 TRP 73 -2.802 17.402 33.803 382 HE1 TRP 73 HE1 TRP 73 -4.554 19.093 33.055 383 HE3 TRP 73 HE3 TRP 73 -4.649 14.934 29.759 384 HZ2 TRP 73 HZ2 TRP 73 -6.330 19.521 30.772 385 HZ3 TRP 73 HZ3 TRP 73 -6.462 15.932 28.382 386 HH2 TRP 73 HH2 TRP 73 -7.274 18.242 28.839 387 H VAL 74 H VAL 74 -3.761 12.586 31.621 388 HA VAL 74 HA VAL 74 -6.607 12.554 31.919 389 HB VAL 74 HB VAL 74 -6.522 10.570 30.474 390 HG11 VAL 74 HG11 VAL 74 -6.082 12.775 29.421 391 HG12 VAL 74 HG12 VAL 74 -4.339 12.545 29.666 392 HG13 VAL 74 HG13 VAL 74 -5.208 11.467 28.592 393 HG21 VAL 74 HG21 VAL 74 -3.562 10.490 31.180 394 HG22 VAL 74 HG22 VAL 74 -4.770 9.220 31.417 395 HG23 VAL 74 HG23 VAL 74 -4.250 9.640 29.783 396 H ALA 75 H ALA 75 -4.107 11.029 33.706 397 HA ALA 75 HA ALA 75 -5.901 8.979 34.905 398 HB1 ALA 75 HB1 ALA 75 -4.011 8.318 36.258 399 HB2 ALA 75 HB2 ALA 75 -3.516 8.461 34.565 400 HB3 ALA 75 HB3 ALA 75 -3.077 9.726 35.739 401 H SER 76 H SER 76 -5.260 12.321 35.430 402 HA SER 76 HA SER 76 -6.218 12.286 38.259 403 HB2 SER 76 HB2 SER 76 -5.300 14.605 36.513 404 HB3 SER 76 HB3 SER 76 -5.660 14.657 38.244 405 HG SER 76 HG SER 76 -3.607 13.124 36.981 406 H LYS 77 H LYS 77 -7.658 12.001 35.390 407 HA LYS 77 HA LYS 77 -9.958 13.868 35.759 408 HB2 LYS 77 HB2 LYS 77 -9.102 12.272 33.365 409 HB3 LYS 77 HB3 LYS 77 -10.348 13.511 33.401 410 HG2 LYS 77 HG3 LYS 77 -7.484 14.141 34.163 411 HG3 LYS 77 HG2 LYS 77 -7.959 14.065 32.553 412 HD2 LYS 77 HD3 LYS 77 -9.700 15.879 33.072 413 HD3 LYS 77 HD2 LYS 77 -8.987 15.938 34.708 414 HE2 LYS 77 HE2 LYS 77 -6.778 16.479 33.714 415 HE3 LYS 77 HE3 LYS 77 -7.496 16.446 32.097 416 HZ1 LYS 77 HZ1 LYS 77 -7.390 18.715 32.962 417 HZ2 LYS 77 HZ2 LYS 77 -8.954 18.282 32.781 418 HZ3 LYS 77 HZ3 LYS 77 -8.283 18.319 34.271 419 H ASN 78 H ASN 78 -9.361 10.920 36.873 420 HA ASN 78 HA ASN 78 -10.613 9.118 37.498 421 HB2 ASN 78 HB2 ASN 78 -11.907 10.677 38.621 422 HB3 ASN 78 HB3 ASN 78 -12.650 11.321 37.196 423 HD21 ASN 78 HD22 ASN 78 -14.633 10.866 36.880 424 HD22 ASN 78 HD21 ASN 78 -15.506 9.462 37.509 425 H ILE 79 H ILE 79 -9.601 8.929 35.000 426 HA ILE 79 HA ILE 79 -11.518 7.107 33.662 427 HB ILE 79 HB ILE 79 -9.754 8.720 31.859 428 HG12 ILE 79 HG12 ILE 79 -12.277 9.915 33.076 429 HG13 ILE 79 HG13 ILE 79 -10.624 10.521 33.133 430 HG21 ILE 79 HG21 ILE 79 -11.164 6.816 31.046 431 HG22 ILE 79 HG22 ILE 79 -12.616 7.694 31.577 432 HG23 ILE 79 HG23 ILE 79 -11.586 8.330 30.276 433 HD11 ILE 79 HD11 ILE 79 -12.345 10.440 30.644 434 HD12 ILE 79 HD12 ILE 79 -11.851 11.856 31.582 435 HD13 ILE 79 HD13 ILE 79 -10.625 10.920 30.711 436 H ASP 80 H ASP 80 -10.495 5.428 32.436 437 HA ASP 80 HA ASP 80 -7.584 4.989 32.984 438 HB2 ASP 80 HB2 ASP 80 -9.013 3.638 34.457 439 HB3 ASP 80 HB3 ASP 80 -9.820 2.939 33.053 440 H ILE 81 H ILE 81 -6.545 5.168 31.157 441 HA ILE 81 HA ILE 81 -7.631 5.018 28.534 442 HB ILE 81 HB ILE 81 -5.324 5.144 27.759 443 HG12 ILE 81 HG12 ILE 81 -4.477 4.841 30.682 444 HG13 ILE 81 HG13 ILE 81 -4.236 3.637 29.413 445 HG21 ILE 81 HG21 ILE 81 -6.605 7.115 28.553 446 HG22 ILE 81 HG22 ILE 81 -5.820 6.976 30.141 447 HG23 ILE 81 HG23 ILE 81 -4.855 7.323 28.693 448 HD11 ILE 81 HD11 ILE 81 -2.841 5.294 28.148 449 HD12 ILE 81 HD12 ILE 81 -2.955 6.390 29.548 450 HD13 ILE 81 HD13 ILE 81 -2.170 4.815 29.722 451 H SER 82 H SER 82 -6.615 2.442 30.612 452 HA SER 82 HA SER 82 -5.987 0.576 28.466 453 HB2 SER 82 HB2 SER 82 -5.046 0.556 30.825 454 HB3 SER 82 HB3 SER 82 -6.621 -0.031 31.379 455 HG SER 82 HG SER 82 -6.322 -1.831 29.915 456 H LYS 83 H LYS 83 -8.956 1.734 29.809 457 HA LYS 83 HA LYS 83 -10.457 -0.765 29.244 458 HB2 LYS 83 HB3 LYS 83 -11.343 1.889 30.443 459 HB3 LYS 83 HB2 LYS 83 -12.387 0.483 30.194 460 HG2 LYS 83 HG2 LYS 83 -10.834 -0.880 31.637 461 HG3 LYS 83 HG3 LYS 83 -9.931 0.605 31.993 462 HD2 LYS 83 HD2 LYS 83 -12.032 1.626 32.897 463 HD3 LYS 83 HD3 LYS 83 -12.876 0.090 32.586 464 HE2 LYS 83 HE2 LYS 83 -11.275 -1.083 34.090 465 HE3 LYS 83 HE3 LYS 83 -10.442 0.444 34.401 466 HZ1 LYS 83 HZ1 LYS 83 -12.034 -0.068 36.160 467 HZ2 LYS 83 HZ2 LYS 83 -12.509 1.289 35.390 468 HZ3 LYS 83 HZ3 LYS 83 -13.275 -0.127 35.104 469 HA PRO 84 HA PRO 84 -11.833 0.832 25.340 470 HB2 PRO 84 HB3 PRO 84 -13.596 -1.085 24.544 471 HB3 PRO 84 HB2 PRO 84 -11.869 -1.457 24.846 472 HG2 PRO 84 HG3 PRO 84 -14.208 -1.815 26.762 473 HG3 PRO 84 HG2 PRO 84 -12.969 -3.029 26.307 474 HD2 PRO 84 HD3 PRO 84 -12.799 -1.427 28.559 475 HD3 PRO 84 HD2 PRO 84 -11.364 -2.038 27.691 476 H GLY 85 H GLY 85 -13.469 1.267 27.937 477 HA2 GLY 85 HA2 GLY 85 -15.937 2.507 26.752 478 HA3 GLY 85 HA3 GLY 85 -15.761 2.007 28.438 479 H ALA 86 H ALA 86 -12.916 3.485 27.265 480 HA ALA 86 HA ALA 86 -13.095 5.712 29.049 481 HB1 ALA 86 HB1 ALA 86 -10.939 6.343 28.059 482 HB2 ALA 86 HB2 ALA 86 -10.991 4.603 28.372 483 HB3 ALA 86 HB3 ALA 86 -11.199 5.211 26.713 484 H ASP 87 H ASP 87 -13.003 7.961 28.578 485 HA ASP 87 HA ASP 87 -14.034 8.976 25.999 486 HB2 ASP 87 HB2 ASP 87 -16.013 8.369 27.412 487 HB3 ASP 87 HB3 ASP 87 -15.444 9.486 28.652 488 H VAL 88 H VAL 88 -11.504 9.192 26.874 489 HA VAL 88 HA VAL 88 -10.906 11.450 28.516 490 HB VAL 88 HB VAL 88 -9.020 10.286 26.441 491 HG11 VAL 88 HG11 VAL 88 -7.333 11.013 27.994 492 HG12 VAL 88 HG12 VAL 88 -8.378 12.401 27.702 493 HG13 VAL 88 HG13 VAL 88 -8.542 11.486 29.211 494 HG21 VAL 88 HG21 VAL 88 -9.832 8.366 27.712 495 HG22 VAL 88 HG22 VAL 88 -8.206 8.784 28.239 496 HG23 VAL 88 HG23 VAL 88 -9.592 9.240 29.247 497 H LYS 89 H LYS 89 -11.732 13.405 27.979 498 HA LYS 89 HA LYS 89 -10.733 14.735 25.539 499 HB2 LYS 89 HB2 LYS 89 -12.715 13.879 24.816 500 HB3 LYS 89 HB3 LYS 89 -13.566 14.086 26.348 501 HG2 LYS 89 HG2 LYS 89 -14.176 16.243 25.922 502 HG3 LYS 89 HG3 LYS 89 -12.795 16.561 24.842 503 HD2 LYS 89 HD3 LYS 89 -13.656 15.308 23.102 504 HD3 LYS 89 HD2 LYS 89 -14.723 14.352 24.072 505 HE2 LYS 89 HE3 LYS 89 -15.185 17.228 23.214 506 HE3 LYS 89 HE2 LYS 89 -15.879 15.780 22.502 507 HZ1 LYS 89 HZ1 LYS 89 -16.357 16.694 25.294 508 HZ2 LYS 89 HZ2 LYS 89 -17.429 16.795 24.068 509 HZ3 LYS 89 HZ3 LYS 89 -16.987 15.333 24.637 510 H CYS 90 H CYS 90 -10.398 16.781 25.623 511 HA CYS 90 HA CYS 90 -9.520 17.969 28.003 512 HB2 CYS 90 HB2 CYS 90 -8.606 18.037 25.741 513 HB3 CYS 90 HB3 CYS 90 -9.933 19.072 25.211 514 H ASP 91 H ASP 91 -9.882 20.364 28.250 515 HA ASP 91 HA ASP 91 -12.748 21.193 28.503 516 HB2 ASP 91 HB3 ASP 91 -11.715 20.285 30.646 517 HB3 ASP 91 HB2 ASP 91 -10.580 21.616 30.600 518 H ILE 92 H ILE 92 -9.542 21.982 27.499 519 HA ILE 92 HA ILE 92 -9.784 24.859 27.895 520 HB ILE 92 HB ILE 92 -7.847 23.294 26.126 521 HG12 ILE 92 HG12 ILE 92 -7.489 24.381 28.970 522 HG13 ILE 92 HG13 ILE 92 -7.673 22.681 28.544 523 HG21 ILE 92 HG21 ILE 92 -6.463 25.342 26.137 524 HG22 ILE 92 HG22 ILE 92 -8.033 25.650 25.424 525 HG23 ILE 92 HG23 ILE 92 -7.706 26.185 27.090 526 HD11 ILE 92 HD11 ILE 92 -5.360 23.052 28.947 527 HD12 ILE 92 HD12 ILE 92 -5.562 22.817 27.201 528 HD13 ILE 92 HD13 ILE 92 -5.305 24.450 27.866 529 H CYS 93 H CYS 93 -9.511 22.793 25.048 530 HA CYS 93 HA CYS 93 -11.054 24.566 23.258 531 HB2 CYS 93 HB2 CYS 93 -9.863 23.181 21.535 532 HB3 CYS 93 HB3 CYS 93 -8.772 24.056 22.615 533 H HIS 94 H HIS 94 -11.337 21.850 25.171 534 HA HIS 94 HA HIS 94 -12.592 20.134 25.505 535 HB2 HIS 94 HB3 HIS 94 -14.771 20.355 25.541 536 HB3 HIS 94 HB2 HIS 94 -14.361 22.020 25.199 537 HD1 HIS 94 HD1 HIS 94 -14.192 21.907 22.023 538 HD2 HIS 94 HD2 HIS 94 -17.051 19.984 24.427 539 HE1 HIS 94 HE1 HIS 94 -16.226 21.487 20.519 540 H TYR 95 H TYR 95 -10.762 19.981 23.115 541 HA TYR 95 HA TYR 95 -12.061 18.086 21.366 542 HB2 TYR 95 HB2 TYR 95 -9.258 19.218 21.542 543 HB3 TYR 95 HB3 TYR 95 -9.470 17.732 20.716 544 HD1 TYR 95 HD2 TYR 95 -10.931 21.135 21.050 545 HD2 TYR 95 HD1 TYR 95 -10.114 17.847 18.430 546 HE1 TYR 95 HE2 TYR 95 -11.859 22.470 19.201 547 HE2 TYR 95 HE1 TYR 95 -11.119 19.145 16.511 548 HH TYR 95 HH TYR 95 -12.387 22.475 16.933 549 HA PRO 96 HA PRO 96 -11.154 14.267 23.514 550 HB2 PRO 96 HB3 PRO 96 -10.824 12.859 20.948 551 HB3 PRO 96 HB2 PRO 96 -12.088 12.646 22.216 552 HG2 PRO 96 HG3 PRO 96 -12.620 13.782 19.752 553 HG3 PRO 96 HG2 PRO 96 -13.483 14.119 21.284 554 HD2 PRO 96 HD3 PRO 96 -11.362 15.751 19.984 555 HD3 PRO 96 HD2 PRO 96 -12.868 16.288 20.771 556 H ILE 97 H ILE 97 -9.423 13.221 24.097 557 HA ILE 97 HA ILE 97 -6.796 14.251 23.196 558 HB ILE 97 HB ILE 97 -7.758 12.625 25.503 559 HG12 ILE 97 HG12 ILE 97 -8.169 15.184 25.332 560 HG13 ILE 97 HG13 ILE 97 -7.543 14.547 26.833 561 HG21 ILE 97 HG21 ILE 97 -5.569 11.722 25.059 562 HG22 ILE 97 HG22 ILE 97 -4.867 13.343 25.218 563 HG23 ILE 97 HG23 ILE 97 -5.678 12.587 26.587 564 HD11 ILE 97 HD11 ILE 97 -5.336 15.393 26.338 565 HD12 ILE 97 HD12 ILE 97 -5.814 15.717 24.660 566 HD13 ILE 97 HD13 ILE 97 -6.519 16.677 25.987 567 H GLN 98 H GLN 98 -5.755 13.313 21.719 568 HA GLN 98 HA GLN 98 -6.141 10.403 21.086 569 HB2 GLN 98 HB2 GLN 98 -5.637 12.792 19.298 570 HB3 GLN 98 HB3 GLN 98 -5.436 11.130 18.740 571 HG2 GLN 98 HG2 GLN 98 -8.010 12.096 20.039 572 HG3 GLN 98 HG3 GLN 98 -7.703 12.255 18.309 573 HE21 GLN 98 HE22 GLN 98 -9.832 10.905 18.426 574 HE22 GLN 98 HE21 GLN 98 -9.592 9.162 18.424 575 H PHE 99 H PHE 99 -4.724 9.511 22.217 576 HA PHE 99 HA PHE 99 -2.007 10.172 22.686 577 HB2 PHE 99 HB2 PHE 99 -3.281 7.409 22.597 578 HB3 PHE 99 HB3 PHE 99 -1.818 7.864 23.453 579 HD1 PHE 99 HD2 PHE 99 -1.928 9.303 25.501 580 HD2 PHE 99 HD1 PHE 99 -5.486 7.848 23.537 581 HE1 PHE 99 HE2 PHE 99 -3.275 9.856 27.513 582 HE2 PHE 99 HE1 PHE 99 -6.826 8.423 25.545 583 HZ PHE 99 HZ PHE 99 -5.721 9.418 27.533 584 H LYS 100 H LYS 100 -0.082 9.122 21.966 585 HA LYS 100 HA LYS 100 0.348 9.082 19.133 586 HB2 LYS 100 HB3 LYS 100 2.053 8.131 21.444 587 HB3 LYS 100 HB2 LYS 100 2.587 8.239 19.755 588 HG2 LYS 100 HG2 LYS 100 1.807 10.706 19.815 589 HG3 LYS 100 HG3 LYS 100 1.736 10.528 21.576 590 HD2 LYS 100 HD2 LYS 100 4.151 9.992 19.820 591 HD3 LYS 100 HD3 LYS 100 3.880 11.489 20.737 592 HE2 LYS 100 HE2 LYS 100 3.888 10.241 22.862 593 HE3 LYS 100 HE3 LYS 100 4.065 8.711 21.997 594 HZ1 LYS 100 HZ1 LYS 100 6.091 10.872 22.057 595 HZ2 LYS 100 HZ2 LYS 100 6.158 9.421 22.840 596 HZ3 LYS 100 HZ3 LYS 100 6.233 9.474 21.204 597 H THR 101 H THR 101 1.187 7.386 17.835 598 HA THR 101 HA THR 101 0.592 4.555 18.503 599 HB THR 101 HB THR 101 -0.437 5.870 15.956 600 HG1 THR 101 HG1 THR 101 -1.746 5.049 18.331 601 HG21 THR 101 HG21 THR 101 -0.813 3.063 17.101 602 HG22 THR 101 HG22 THR 101 -1.659 3.719 15.680 603 HG23 THR 101 HG23 THR 101 0.093 3.493 15.634 Start of MODEL 7 1 H1 VAL 19 H1 VAL 19 -21.806 8.663 5.165 2 H2 VAL 19 H2 VAL 19 -20.937 8.486 3.795 3 H3 VAL 19 H3 VAL 19 -22.091 9.656 3.877 4 HA VAL 19 HA VAL 19 -19.754 9.549 5.644 5 HB VAL 19 HB VAL 19 -18.901 9.792 3.436 6 HG11 VAL 19 HG11 VAL 19 -20.798 10.851 2.228 7 HG12 VAL 19 HG12 VAL 19 -20.465 12.378 3.081 8 HG13 VAL 19 HG13 VAL 19 -19.262 11.686 1.987 9 HG21 VAL 19 HG21 VAL 19 -17.804 10.955 5.321 10 HG22 VAL 19 HG22 VAL 19 -17.542 11.763 3.769 11 HG23 VAL 19 HG23 VAL 19 -18.707 12.438 4.923 12 H ALA 20 H ALA 20 -20.207 10.482 7.457 13 HA ALA 20 HA ALA 20 -21.341 13.157 7.662 14 HB1 ALA 20 HB1 ALA 20 -23.214 12.436 9.145 15 HB2 ALA 20 HB2 ALA 20 -23.412 11.779 7.516 16 HB3 ALA 20 HB3 ALA 20 -22.815 10.734 8.824 17 H ASN 21 H ASN 21 -21.247 13.869 9.932 18 HA ASN 21 HA ASN 21 -19.004 13.911 11.218 19 HB2 ASN 21 HB3 ASN 21 -21.736 13.941 12.548 20 HB3 ASN 21 HB2 ASN 21 -20.279 14.618 13.263 21 HD21 ASN 21 HD22 ASN 21 -22.736 16.047 12.645 22 HD22 ASN 21 HD21 ASN 21 -22.266 17.300 11.506 23 H GLU 22 H GLU 22 -20.432 10.831 11.396 24 HA GLU 22 HA GLU 22 -18.771 10.121 13.788 25 HB2 GLU 22 HB3 GLU 22 -20.226 8.275 14.220 26 HB3 GLU 22 HB2 GLU 22 -21.167 9.764 14.150 27 HG2 GLU 22 HG2 GLU 22 -21.834 9.191 11.796 28 HG3 GLU 22 HG3 GLU 22 -20.944 7.675 11.941 29 H GLU 23 H GLU 23 -19.108 9.734 10.455 30 HA GLU 23 HA GLU 23 -17.410 7.308 10.224 31 HB2 GLU 23 HB2 GLU 23 -18.807 8.933 8.062 32 HB3 GLU 23 HB3 GLU 23 -18.082 7.334 7.889 33 HG2 GLU 23 HG2 GLU 23 -19.781 6.430 9.500 34 HG3 GLU 23 HG3 GLU 23 -20.566 8.017 9.513 35 H THR 24 H THR 24 -16.611 10.494 10.678 36 HA THR 24 HA THR 24 -14.698 10.886 8.496 37 HB THR 24 HB THR 24 -14.231 13.005 9.791 38 HG1 THR 24 HG1 THR 24 -14.918 12.400 11.828 39 HG21 THR 24 HG21 THR 24 -15.863 12.943 7.931 40 HG22 THR 24 HG22 THR 24 -17.154 12.515 9.074 41 HG23 THR 24 HG23 THR 24 -16.339 14.088 9.197 42 H ASP 25 H ASP 25 -13.870 8.672 9.308 43 HA ASP 25 HA ASP 25 -11.777 8.962 11.429 44 HB2 ASP 25 HB3 ASP 25 -13.758 7.420 11.689 45 HB3 ASP 25 HB2 ASP 25 -13.109 6.455 10.366 46 H THR 26 H THR 26 -11.556 9.587 8.486 47 HA THR 26 HA THR 26 -9.632 7.683 7.339 48 HB THR 26 HB THR 26 -9.575 9.390 5.477 49 HG1 THR 26 HG1 THR 26 -10.167 11.238 6.562 50 HG21 THR 26 HG21 THR 26 -11.819 8.922 4.654 51 HG22 THR 26 HG22 THR 26 -11.146 7.477 5.430 52 HG23 THR 26 HG23 THR 26 -12.364 8.456 6.280 53 H ALA 27 H ALA 27 -8.629 8.371 9.694 54 HA ALA 27 HA ALA 27 -7.188 10.666 10.101 55 HB1 ALA 27 HB1 ALA 27 -7.684 8.972 11.798 56 HB2 ALA 27 HB2 ALA 27 -6.524 7.851 11.041 57 HB3 ALA 27 HB3 ALA 27 -5.951 9.357 11.784 58 H THR 28 H THR 28 -5.244 11.267 10.161 59 HA THR 28 HA THR 28 -2.955 10.022 8.715 60 HB THR 28 HB THR 28 -4.142 11.412 7.042 61 HG1 THR 28 HG1 THR 28 -2.261 12.362 6.320 62 HG21 THR 28 HG21 THR 28 -3.981 13.838 7.114 63 HG22 THR 28 HG22 THR 28 -4.888 13.269 8.525 64 HG23 THR 28 HG23 THR 28 -3.195 13.782 8.708 65 H PHE 29 H PHE 29 -0.809 11.195 9.166 66 HA PHE 29 HA PHE 29 -0.763 12.742 11.685 67 HB2 PHE 29 HB2 PHE 29 0.693 10.120 11.136 68 HB3 PHE 29 HB3 PHE 29 0.989 11.165 12.503 69 HD1 PHE 29 HD2 PHE 29 -1.170 11.709 14.022 70 HD2 PHE 29 HD1 PHE 29 -0.732 8.271 11.455 71 HE1 PHE 29 HE2 PHE 29 -2.803 10.468 15.412 72 HE2 PHE 29 HE1 PHE 29 -2.383 7.037 12.839 73 HZ PHE 29 HZ PHE 29 -3.415 8.128 14.822 74 H ASN 30 H ASN 30 1.215 13.807 12.032 75 HA ASN 30 HA ASN 30 3.325 13.817 9.920 76 HB2 ASN 30 HB2 ASN 30 1.533 15.391 9.147 77 HB3 ASN 30 HB3 ASN 30 1.728 16.305 10.645 78 HD21 ASN 30 HD22 ASN 30 2.562 18.226 9.832 79 HD22 ASN 30 HD21 ASN 30 4.053 18.304 8.902 80 H ASP 31 H ASP 31 5.313 14.854 10.500 81 HA ASP 31 HA ASP 31 6.008 14.736 13.291 82 HB2 ASP 31 HB2 ASP 31 7.370 13.927 11.354 83 HB3 ASP 31 HB3 ASP 31 7.610 15.599 10.852 84 H ASP 32 H ASP 32 4.166 16.601 13.258 85 HA ASP 32 HA ASP 32 5.241 19.356 13.149 86 HB2 ASP 32 HB2 ASP 32 2.926 18.648 12.451 87 HB3 ASP 32 HB3 ASP 32 2.564 18.417 14.168 88 H ALA 33 H ALA 33 6.709 18.012 14.733 89 HA ALA 33 HA ALA 33 6.223 18.905 17.566 90 HB1 ALA 33 HB1 ALA 33 7.386 16.812 18.238 91 HB2 ALA 33 HB2 ALA 33 5.825 16.538 17.422 92 HB3 ALA 33 HB3 ALA 33 7.360 16.283 16.551 93 HA PRO 34 HA PRO 34 10.277 20.861 16.549 94 HB2 PRO 34 HB3 PRO 34 9.528 22.493 18.935 95 HB3 PRO 34 HB2 PRO 34 10.082 23.027 17.350 96 HG2 PRO 34 HG3 PRO 34 7.455 23.257 18.288 97 HG3 PRO 34 HG2 PRO 34 7.826 23.062 16.599 98 HD2 PRO 34 HD3 PRO 34 6.900 20.980 18.538 99 HD3 PRO 34 HD2 PRO 34 6.535 21.148 16.792 100 H SER 35 H SER 35 12.342 20.500 17.772 101 HA SER 35 HA SER 35 12.082 19.040 20.230 102 HB2 SER 35 HB2 SER 35 14.553 20.213 18.885 103 HB3 SER 35 HB3 SER 35 14.536 18.977 20.154 104 HG SER 35 HG SER 35 13.498 17.563 18.693 105 H GLY 36 H GLY 36 11.877 22.294 19.500 106 HA2 GLY 36 HA2 GLY 36 13.012 23.286 22.081 107 HA3 GLY 36 HA3 GLY 36 12.624 24.258 20.659 108 H ALA 37 H ALA 37 10.100 22.138 20.940 109 HA ALA 37 HA ALA 37 8.243 24.093 22.078 110 HB1 ALA 37 HB1 ALA 37 6.556 22.328 21.737 111 HB2 ALA 37 HB2 ALA 37 7.536 22.547 20.276 112 HB3 ALA 37 HB3 ALA 37 7.825 21.155 21.348 113 H THR 38 H THR 38 7.098 23.726 24.036 114 HA THR 38 HA THR 38 8.452 21.986 26.097 115 HB THR 38 HB THR 38 7.786 23.647 27.789 116 HG1 THR 38 HG1 THR 38 7.178 25.718 26.973 117 HG21 THR 38 HG21 THR 38 9.358 24.918 25.512 118 HG22 THR 38 HG22 THR 38 9.547 25.181 27.265 119 HG23 THR 38 HG23 THR 38 9.990 23.624 26.534 120 H CYS 39 H CYS 39 7.111 21.424 28.198 121 HA CYS 39 HA CYS 39 4.630 20.113 27.345 122 HB2 CYS 39 HB3 CYS 39 6.280 18.904 28.685 123 HB3 CYS 39 HB2 CYS 39 6.457 20.162 29.798 124 H ARG 40 H ARG 40 2.617 21.045 27.904 125 HA ARG 40 HA ARG 40 2.547 23.715 28.969 126 HB2 ARG 40 HB3 ARG 40 0.192 23.563 28.813 127 HB3 ARG 40 HB2 ARG 40 0.925 22.785 27.418 128 HG2 ARG 40 HG2 ARG 40 -0.328 21.010 27.698 129 HG3 ARG 40 HG3 ARG 40 0.447 20.659 29.242 130 HD2 ARG 40 HD2 ARG 40 -1.225 21.867 30.466 131 HD3 ARG 40 HD3 ARG 40 -1.834 22.665 29.026 132 HE ARG 40 HE ARG 40 -2.551 19.995 29.958 133 HH11 ARG 40 HH12 ARG 40 -2.513 22.080 27.106 134 HH12 ARG 40 HH11 ARG 40 -3.912 21.284 26.433 135 HH21 ARG 40 HH22 ARG 40 -4.317 19.001 28.924 136 HH22 ARG 40 HH21 ARG 40 -4.833 19.618 27.383 137 H ILE 41 H ILE 41 2.647 20.681 30.581 138 HA ILE 41 HA ILE 41 1.649 21.704 33.122 139 HB ILE 41 HB ILE 41 2.712 19.018 32.198 140 HG12 ILE 41 HG12 ILE 41 -0.030 19.879 33.262 141 HG13 ILE 41 HG13 ILE 41 0.364 19.862 31.553 142 HG21 ILE 41 HG21 ILE 41 2.155 18.055 34.374 143 HG22 ILE 41 HG22 ILE 41 3.467 19.202 34.485 144 HG23 ILE 41 HG23 ILE 41 1.833 19.686 35.019 145 HD11 ILE 41 HD11 ILE 41 0.341 17.371 33.301 146 HD12 ILE 41 HD12 ILE 41 -0.921 17.901 32.181 147 HD13 ILE 41 HD13 ILE 41 0.666 17.461 31.549 148 H CYS 42 H CYS 42 4.824 20.466 31.827 149 HA CYS 42 HA CYS 42 6.095 21.306 34.350 150 HB2 CYS 42 HB3 CYS 42 7.256 20.125 31.796 151 HB3 CYS 42 HB2 CYS 42 8.088 20.336 33.345 152 H ARG 43 H ARG 43 5.762 22.618 31.130 153 HA ARG 43 HA ARG 43 6.618 24.379 29.997 154 HB2 ARG 43 HB3 ARG 43 7.437 25.622 32.649 155 HB3 ARG 43 HB2 ARG 43 7.259 26.434 31.096 156 HG2 ARG 43 HG2 ARG 43 5.018 25.176 32.741 157 HG3 ARG 43 HG3 ARG 43 5.349 26.896 32.568 158 HD2 ARG 43 HD3 ARG 43 4.762 26.838 30.193 159 HD3 ARG 43 HD2 ARG 43 4.609 25.085 30.231 160 HE ARG 43 HE ARG 43 2.597 25.183 31.391 161 HH11 ARG 43 HH12 ARG 43 3.707 28.479 30.904 162 HH12 ARG 43 HH11 ARG 43 2.132 29.138 31.257 163 HH21 ARG 43 HH22 ARG 43 0.675 26.065 31.820 164 HH22 ARG 43 HH21 ARG 43 0.449 27.792 31.777 165 H GLY 44 H GLY 44 7.877 22.062 30.296 166 HA2 GLY 44 HA2 GLY 44 10.827 22.708 30.240 167 HA3 GLY 44 HA3 GLY 44 10.196 21.159 30.766 168 H GLU 45 H GLU 45 11.948 22.281 28.503 169 HA GLU 45 HA GLU 45 10.696 21.620 26.011 170 HB2 GLU 45 HB2 GLU 45 13.629 21.540 26.604 171 HB3 GLU 45 HB3 GLU 45 12.899 21.759 25.025 172 HG2 GLU 45 HG3 GLU 45 12.084 23.978 25.603 173 HG3 GLU 45 HG2 GLU 45 12.676 23.819 27.260 174 H ALA 46 H ALA 46 10.557 19.864 24.895 175 HA ALA 46 HA ALA 46 10.608 17.337 25.436 176 HB1 ALA 46 HB1 ALA 46 10.034 17.938 23.159 177 HB2 ALA 46 HB2 ALA 46 11.701 18.453 22.818 178 HB3 ALA 46 HB3 ALA 46 11.309 16.742 23.057 179 H THR 47 H THR 47 11.790 15.424 25.394 180 HA THR 47 HA THR 47 14.777 15.673 25.443 181 HB THR 47 HB THR 47 15.117 14.551 27.368 182 HG1 THR 47 HG1 THR 47 13.616 13.249 28.412 183 HG21 THR 47 HG21 THR 47 13.812 15.351 29.165 184 HG22 THR 47 HG22 THR 47 13.868 16.644 27.935 185 HG23 THR 47 HG23 THR 47 12.399 15.627 28.121 186 H GLU 48 H GLU 48 15.652 13.289 25.604 187 HA GLU 48 HA GLU 48 14.870 12.037 23.126 188 HB2 GLU 48 HB2 GLU 48 16.712 11.166 25.389 189 HB3 GLU 48 HB3 GLU 48 16.547 10.275 23.868 190 HG2 GLU 48 HG2 GLU 48 17.291 12.295 22.608 191 HG3 GLU 48 HG3 GLU 48 17.528 13.152 24.133 192 H ASP 49 H ASP 49 14.166 11.409 26.464 193 HA ASP 49 HA ASP 49 12.751 8.836 25.962 194 HB2 ASP 49 HB2 ASP 49 14.371 9.064 27.841 195 HB3 ASP 49 HB3 ASP 49 13.368 10.338 28.539 196 H ASN 50 H ASN 50 12.170 12.173 26.832 197 HA ASN 50 HA ASN 50 9.306 11.818 26.391 198 HB2 ASN 50 HB3 ASN 50 10.729 13.123 28.736 199 HB3 ASN 50 HB2 ASN 50 9.287 13.903 28.137 200 HD21 ASN 50 HD22 ASN 50 9.062 13.389 30.484 201 HD22 ASN 50 HD21 ASN 50 8.226 11.869 30.784 202 HA PRO 51 HA PRO 51 10.270 14.822 23.171 203 HB2 PRO 51 HB3 PRO 51 8.311 12.753 22.100 204 HB3 PRO 51 HB2 PRO 51 9.548 13.733 21.219 205 HG2 PRO 51 HG3 PRO 51 10.196 11.196 21.824 206 HG3 PRO 51 HG2 PRO 51 11.262 12.604 22.261 207 HD2 PRO 51 HD3 PRO 51 9.533 11.126 24.226 208 HD3 PRO 51 HD2 PRO 51 11.241 11.552 24.239 209 H LEU 52 H LEU 52 8.586 15.897 22.176 210 HA LEU 52 HA LEU 52 5.954 15.999 23.663 211 HB2 LEU 52 HB2 LEU 52 7.342 18.391 22.487 212 HB3 LEU 52 HB3 LEU 52 5.802 18.387 23.294 213 HG LEU 52 HG LEU 52 8.217 17.368 24.804 214 HD11 LEU 52 HD11 LEU 52 8.600 19.594 25.654 215 HD12 LEU 52 HD12 LEU 52 8.844 19.522 23.900 216 HD13 LEU 52 HD13 LEU 52 7.344 20.222 24.530 217 HD21 LEU 52 HD21 LEU 52 6.990 18.338 26.711 218 HD22 LEU 52 HD22 LEU 52 5.620 18.642 25.623 219 HD23 LEU 52 HD23 LEU 52 6.242 16.974 25.885 220 H PHE 53 H PHE 53 4.195 16.344 22.753 221 HA PHE 53 HA PHE 53 3.725 16.622 19.875 222 HB2 PHE 53 HB2 PHE 53 2.331 14.621 19.828 223 HB3 PHE 53 HB3 PHE 53 3.966 14.159 20.250 224 HD1 PHE 53 HD1 PHE 53 4.488 13.781 22.803 225 HD2 PHE 53 HD2 PHE 53 0.491 13.974 21.178 226 HE1 PHE 53 HE1 PHE 53 3.583 12.892 24.919 227 HE2 PHE 53 HE2 PHE 53 -0.388 12.992 23.266 228 HZ PHE 53 HZ PHE 53 1.127 12.568 25.194 229 H HIS 54 H HIS 54 1.274 17.025 19.681 230 HA HIS 54 HA HIS 54 0.159 18.189 22.158 231 HB2 HIS 54 HB2 HIS 54 -1.036 19.824 20.777 232 HB3 HIS 54 HB3 HIS 54 0.709 20.010 20.828 233 HD1 HIS 54 HD1 HIS 54 2.044 19.738 18.529 234 HD2 HIS 54 HD2 HIS 54 -2.121 19.169 18.356 235 HE1 HIS 54 HE1 HIS 54 1.435 19.710 16.060 236 HA PRO 55 HA PRO 55 -2.465 14.615 21.139 237 HB2 PRO 55 HB3 PRO 55 -3.962 14.604 23.477 238 HB3 PRO 55 HB2 PRO 55 -2.305 14.012 23.475 239 HG2 PRO 55 HG3 PRO 55 -3.284 16.843 24.076 240 HG3 PRO 55 HG2 PRO 55 -2.402 15.810 25.125 241 HD2 PRO 55 HD3 PRO 55 -1.081 17.571 23.642 242 HD3 PRO 55 HD2 PRO 55 -0.425 15.902 23.617 243 H CYS 56 H CYS 56 -3.375 17.783 22.177 244 HA CYS 56 HA CYS 56 -6.102 17.594 21.160 245 HB2 CYS 56 HB3 CYS 56 -5.325 17.497 23.741 246 HB3 CYS 56 HB2 CYS 56 -5.376 19.240 23.479 247 H LYS 57 H LYS 57 -6.673 19.448 20.318 248 HA LYS 57 HA LYS 57 -4.997 21.338 19.096 249 HB2 LYS 57 HB2 LYS 57 -7.794 21.886 20.133 250 HB3 LYS 57 HB3 LYS 57 -6.890 23.043 19.160 251 HG2 LYS 57 HG3 LYS 57 -7.593 20.226 18.257 252 HG3 LYS 57 HG2 LYS 57 -8.440 21.740 17.900 253 HD2 LYS 57 HD2 LYS 57 -6.421 22.610 16.739 254 HD3 LYS 57 HD3 LYS 57 -5.618 21.044 17.008 255 HE2 LYS 57 HE3 LYS 57 -7.430 19.896 15.766 256 HE3 LYS 57 HE2 LYS 57 -8.238 21.447 15.501 257 HZ1 LYS 57 HZ1 LYS 57 -6.289 22.173 14.227 258 HZ2 LYS 57 HZ2 LYS 57 -5.537 20.741 14.473 259 HZ3 LYS 57 HZ3 LYS 57 -6.899 20.808 13.577 260 H CYS 58 H CYS 58 -6.408 21.714 22.278 261 HA CYS 58 HA CYS 58 -6.550 23.339 23.742 262 HB2 CYS 58 HB3 CYS 58 -3.816 22.260 23.759 263 HB3 CYS 58 HB2 CYS 58 -4.372 23.372 25.054 264 H ARG 59 H ARG 59 -4.764 24.552 21.191 265 HA ARG 59 HA ARG 59 -4.270 26.523 20.396 266 HB2 ARG 59 HB2 ARG 59 -6.475 27.193 21.563 267 HB3 ARG 59 HB3 ARG 59 -5.477 27.914 22.818 268 HG2 ARG 59 HG2 ARG 59 -6.227 29.625 21.334 269 HG3 ARG 59 HG3 ARG 59 -4.490 29.462 21.117 270 HD2 ARG 59 HD2 ARG 59 -4.865 28.153 19.039 271 HD3 ARG 59 HD3 ARG 59 -6.606 28.214 19.292 272 HE ARG 59 HE ARG 59 -4.834 30.369 18.331 273 HH11 ARG 59 HH22 ARG 59 -8.080 29.686 19.485 274 HH12 ARG 59 HH21 ARG 59 -8.725 31.144 18.782 275 HH21 ARG 59 HH12 ARG 59 -5.729 32.201 17.471 276 HH22 ARG 59 HH11 ARG 59 -7.425 32.524 17.676 277 H GLY 60 H GLY 60 -2.731 28.123 20.342 278 HA2 GLY 60 HA2 GLY 60 -0.669 29.112 20.779 279 HA3 GLY 60 HA3 GLY 60 -1.087 28.975 22.488 280 H SER 61 H SER 61 0.928 28.472 23.242 281 HA SER 61 HA SER 61 2.417 26.087 22.251 282 HB2 SER 61 HB3 SER 61 4.172 26.946 23.785 283 HB3 SER 61 HB2 SER 61 3.683 28.126 22.555 284 HG SER 61 HG SER 61 3.814 29.068 24.650 285 H ILE 62 H ILE 62 0.025 26.712 24.525 286 HA ILE 62 HA ILE 62 0.992 24.833 26.592 287 HB ILE 62 HB ILE 62 -0.996 25.455 27.892 288 HG12 ILE 62 HG12 ILE 62 -2.217 27.565 27.284 289 HG13 ILE 62 HG13 ILE 62 -1.641 27.397 25.631 290 HG21 ILE 62 HG21 ILE 62 -0.187 27.648 28.514 291 HG22 ILE 62 HG22 ILE 62 1.167 26.576 28.142 292 HG23 ILE 62 HG23 ILE 62 0.671 27.818 26.969 293 HD11 ILE 62 HD11 ILE 62 -3.350 25.362 27.139 294 HD12 ILE 62 HD12 ILE 62 -3.982 26.635 26.081 295 HD13 ILE 62 HD13 ILE 62 -2.971 25.353 25.395 296 H LYS 63 H LYS 63 0.419 23.930 23.958 297 HA LYS 63 HA LYS 63 -1.836 22.041 24.362 298 HB2 LYS 63 HB2 LYS 63 -2.108 21.939 21.985 299 HB3 LYS 63 HB3 LYS 63 -2.172 23.645 22.482 300 HG2 LYS 63 HG3 LYS 63 0.049 24.052 21.679 301 HG3 LYS 63 HG2 LYS 63 0.343 22.373 21.387 302 HD2 LYS 63 HD2 LYS 63 -1.556 22.363 19.712 303 HD3 LYS 63 HD3 LYS 63 -1.672 24.123 19.898 304 HE2 LYS 63 HE2 LYS 63 0.972 22.786 19.205 305 HE3 LYS 63 HE3 LYS 63 -0.242 23.019 17.947 306 HZ1 LYS 63 HZ1 LYS 63 0.713 25.272 19.625 307 HZ2 LYS 63 HZ2 LYS 63 1.385 24.892 18.166 308 HZ3 LYS 63 HZ3 LYS 63 -0.175 25.359 18.268 309 H TYR 64 H TYR 64 1.705 22.270 23.773 310 HA TYR 64 HA TYR 64 2.008 19.490 23.135 311 HB2 TYR 64 HB2 TYR 64 3.733 21.860 23.848 312 HB3 TYR 64 HB3 TYR 64 4.438 20.247 23.737 313 HD1 TYR 64 HD2 TYR 64 4.199 18.953 21.590 314 HD2 TYR 64 HD1 TYR 64 3.454 23.181 21.910 315 HE1 TYR 64 HE2 TYR 64 4.438 19.141 19.152 316 HE2 TYR 64 HE1 TYR 64 3.727 23.408 19.452 317 HH TYR 64 HH TYR 64 4.205 20.610 17.278 318 H MET 65 H MET 65 3.019 17.917 24.499 319 HA MET 65 HA MET 65 3.191 18.340 27.426 320 HB2 MET 65 HB2 MET 65 1.223 16.388 26.123 321 HB3 MET 65 HB3 MET 65 1.580 16.491 27.845 322 HG2 MET 65 HG2 MET 65 0.638 18.785 27.894 323 HG3 MET 65 HG3 MET 65 0.245 18.642 26.179 324 HE1 MET 65 HE1 MET 65 -0.224 16.372 29.407 325 HE2 MET 65 HE2 MET 65 -0.901 17.973 29.781 326 HE3 MET 65 HE3 MET 65 -1.978 16.568 29.629 327 H HIS 66 H HIS 66 4.414 16.754 28.506 328 HA HIS 66 HA HIS 66 6.061 14.880 26.926 329 HB2 HIS 66 HB2 HIS 66 5.601 15.007 29.900 330 HB3 HIS 66 HB3 HIS 66 6.832 14.106 29.069 331 HD2 HIS 66 HD2 HIS 66 8.391 16.054 27.322 332 HE1 HIS 66 HE1 HIS 66 8.600 18.758 30.577 333 HE2 HIS 66 HE2 HIS 66 9.704 18.047 28.408 334 H GLU 67 H GLU 67 5.846 12.528 26.971 335 HA GLU 67 HA GLU 67 3.183 11.516 26.851 336 HB2 GLU 67 HB2 GLU 67 5.353 10.432 25.950 337 HB3 GLU 67 HB3 GLU 67 5.548 9.767 27.589 338 HG2 GLU 67 HG3 GLU 67 3.315 8.704 27.418 339 HG3 GLU 67 HG2 GLU 67 3.118 9.371 25.796 340 H SER 68 H SER 68 5.528 11.285 29.565 341 HA SER 68 HA SER 68 3.948 9.887 31.423 342 HB2 SER 68 HB2 SER 68 5.786 12.189 32.155 343 HB3 SER 68 HB3 SER 68 5.428 10.734 33.094 344 HG SER 68 HG SER 68 6.609 9.531 31.556 345 H CYS 69 H CYS 69 4.215 13.450 30.974 346 HA CYS 69 HA CYS 69 2.425 14.228 32.991 347 HB2 CYS 69 HB2 CYS 69 3.230 15.573 30.380 348 HB3 CYS 69 HB3 CYS 69 2.449 16.372 31.761 349 H LEU 70 H LEU 70 1.739 13.507 29.516 350 HA LEU 70 HA LEU 70 -1.061 14.224 29.722 351 HB2 LEU 70 HB2 LEU 70 -0.018 14.073 27.502 352 HB3 LEU 70 HB3 LEU 70 0.420 12.381 27.786 353 HG LEU 70 HG LEU 70 -2.045 11.815 27.836 354 HD11 LEU 70 HD11 LEU 70 -2.316 14.753 27.119 355 HD12 LEU 70 HD12 LEU 70 -3.630 13.563 27.098 356 HD13 LEU 70 HD13 LEU 70 -2.901 14.003 28.626 357 HD21 LEU 70 HD21 LEU 70 -0.798 11.660 25.755 358 HD22 LEU 70 HD22 LEU 70 -2.458 12.187 25.453 359 HD23 LEU 70 HD23 LEU 70 -1.133 13.384 25.420 360 H LEU 71 H LEU 71 0.673 11.115 29.933 361 HA LEU 71 HA LEU 71 -1.445 9.358 30.116 362 HB2 LEU 71 HB3 LEU 71 0.991 9.083 29.678 363 HB3 LEU 71 HB2 LEU 71 1.329 9.324 31.383 364 HG LEU 71 HG LEU 71 0.210 7.227 31.893 365 HD11 LEU 71 HD11 LEU 71 -0.369 5.663 30.012 366 HD12 LEU 71 HD12 LEU 71 -1.436 7.072 30.061 367 HD13 LEU 71 HD13 LEU 71 -0.121 6.997 28.862 368 HD21 LEU 71 HD21 LEU 71 2.320 7.153 29.664 369 HD22 LEU 71 HD22 LEU 71 2.630 7.315 31.395 370 HD23 LEU 71 HD23 LEU 71 1.963 5.795 30.767 371 H GLU 72 H GLU 72 -0.030 11.349 32.543 372 HA GLU 72 HA GLU 72 -1.574 10.232 34.838 373 HB2 GLU 72 HB2 GLU 72 0.375 12.565 34.651 374 HB3 GLU 72 HB3 GLU 72 -0.413 11.992 36.125 375 HG2 GLU 72 HG2 GLU 72 1.408 10.244 34.394 376 HG3 GLU 72 HG3 GLU 72 2.012 11.252 35.694 377 H TRP 73 H TRP 73 -1.401 13.235 32.858 378 HA TRP 73 HA TRP 73 -3.227 14.803 34.343 379 HB2 TRP 73 HB2 TRP 73 -1.768 15.654 32.552 380 HB3 TRP 73 HB3 TRP 73 -2.713 14.762 31.362 381 HD1 TRP 73 HD1 TRP 73 -3.013 17.729 33.811 382 HE1 TRP 73 HE1 TRP 73 -4.838 19.344 32.971 383 HE3 TRP 73 HE3 TRP 73 -4.735 14.996 29.855 384 HZ2 TRP 73 HZ2 TRP 73 -6.773 19.442 30.830 385 HZ3 TRP 73 HZ3 TRP 73 -6.610 15.846 28.460 386 HH2 TRP 73 HH2 TRP 73 -7.615 18.067 28.921 387 H VAL 74 H VAL 74 -3.869 12.523 31.627 388 HA VAL 74 HA VAL 74 -6.782 12.892 31.811 389 HB VAL 74 HB VAL 74 -6.962 10.914 30.382 390 HG11 VAL 74 HG11 VAL 74 -5.730 11.645 28.432 391 HG12 VAL 74 HG12 VAL 74 -6.361 13.053 29.307 392 HG13 VAL 74 HG13 VAL 74 -4.639 12.615 29.427 393 HG21 VAL 74 HG21 VAL 74 -4.918 9.694 29.583 394 HG22 VAL 74 HG22 VAL 74 -3.975 10.483 30.859 395 HG23 VAL 74 HG23 VAL 74 -5.304 9.390 31.271 396 H ALA 75 H ALA 75 -4.513 10.950 33.562 397 HA ALA 75 HA ALA 75 -6.485 9.042 34.551 398 HB1 ALA 75 HB1 ALA 75 -4.067 8.500 34.429 399 HB2 ALA 75 HB2 ALA 75 -3.746 9.699 35.705 400 HB3 ALA 75 HB3 ALA 75 -4.745 8.281 36.051 401 H SER 76 H SER 76 -5.540 12.342 35.459 402 HA SER 76 HA SER 76 -6.856 12.066 38.108 403 HB2 SER 76 HB3 SER 76 -6.183 14.318 38.536 404 HB3 SER 76 HB2 SER 76 -4.811 13.383 37.933 405 HG SER 76 HG SER 76 -4.847 15.377 36.939 406 H LYS 77 H LYS 77 -8.184 11.995 35.201 407 HA LYS 77 HA LYS 77 -10.344 13.994 35.674 408 HB2 LYS 77 HB2 LYS 77 -9.445 12.646 33.176 409 HB3 LYS 77 HB3 LYS 77 -10.619 13.943 33.271 410 HG2 LYS 77 HG3 LYS 77 -7.741 14.214 34.224 411 HG3 LYS 77 HG2 LYS 77 -8.135 14.423 32.621 412 HD2 LYS 77 HD2 LYS 77 -9.727 16.300 33.274 413 HD3 LYS 77 HD3 LYS 77 -9.213 16.059 34.957 414 HE2 LYS 77 HE2 LYS 77 -7.397 16.805 32.620 415 HE3 LYS 77 HE3 LYS 77 -8.038 17.947 33.808 416 HZ1 LYS 77 HZ1 LYS 77 -6.830 16.698 35.542 417 HZ2 LYS 77 HZ2 LYS 77 -6.239 15.660 34.437 418 HZ3 LYS 77 HZ3 LYS 77 -5.789 17.229 34.388 419 H ASN 78 H ASN 78 -9.863 10.923 36.380 420 HA ASN 78 HA ASN 78 -11.166 9.218 36.989 421 HB2 ASN 78 HB3 ASN 78 -13.034 9.872 37.809 422 HB3 ASN 78 HB2 ASN 78 -12.898 11.393 37.007 423 HD21 ASN 78 HD22 ASN 78 -13.830 11.453 34.710 424 HD22 ASN 78 HD21 ASN 78 -15.385 10.633 34.510 425 H ILE 79 H ILE 79 -9.727 9.099 34.699 426 HA ILE 79 HA ILE 79 -11.338 7.322 32.951 427 HB ILE 79 HB ILE 79 -9.230 8.867 31.594 428 HG12 ILE 79 HG13 ILE 79 -11.668 10.384 32.632 429 HG13 ILE 79 HG12 ILE 79 -10.058 10.610 33.046 430 HG21 ILE 79 HG21 ILE 79 -10.813 7.245 30.513 431 HG22 ILE 79 HG22 ILE 79 -12.151 8.353 30.910 432 HG23 ILE 79 HG23 ILE 79 -10.847 8.849 29.796 433 HD11 ILE 79 HD11 ILE 79 -9.499 11.264 30.670 434 HD12 ILE 79 HD12 ILE 79 -11.210 11.020 30.243 435 HD13 ILE 79 HD13 ILE 79 -10.771 12.291 31.368 436 H ASP 80 H ASP 80 -10.350 5.593 32.000 437 HA ASP 80 HA ASP 80 -7.450 5.109 32.351 438 HB2 ASP 80 HB2 ASP 80 -8.693 4.053 34.222 439 HB3 ASP 80 HB3 ASP 80 -9.607 3.088 33.073 440 H ILE 81 H ILE 81 -6.889 5.199 30.283 441 HA ILE 81 HA ILE 81 -8.452 4.460 28.035 442 HB ILE 81 HB ILE 81 -6.524 4.794 26.705 443 HG12 ILE 81 HG12 ILE 81 -4.758 3.608 27.831 444 HG13 ILE 81 HG13 ILE 81 -4.290 5.252 27.456 445 HG21 ILE 81 HG21 ILE 81 -5.969 7.061 27.285 446 HG22 ILE 81 HG22 ILE 81 -7.683 6.737 27.600 447 HG23 ILE 81 HG23 ILE 81 -6.535 6.836 28.951 448 HD11 ILE 81 HD11 ILE 81 -4.989 4.168 30.211 449 HD12 ILE 81 HD12 ILE 81 -3.400 4.646 29.607 450 HD13 ILE 81 HD13 ILE 81 -4.639 5.884 29.861 451 H SER 82 H SER 82 -6.920 2.336 30.224 452 HA SER 82 HA SER 82 -6.251 0.272 28.293 453 HB2 SER 82 HB2 SER 82 -5.151 0.589 30.520 454 HB3 SER 82 HB3 SER 82 -6.660 0.094 31.304 455 HG SER 82 HG SER 82 -5.074 -1.615 31.022 456 H LYS 83 H LYS 83 -9.181 1.387 29.714 457 HA LYS 83 HA LYS 83 -10.634 -1.191 29.250 458 HB2 LYS 83 HB2 LYS 83 -11.238 1.265 30.943 459 HB3 LYS 83 HB3 LYS 83 -12.472 0.090 30.521 460 HG2 LYS 83 HG3 LYS 83 -11.690 -0.399 32.701 461 HG3 LYS 83 HG2 LYS 83 -11.205 -1.714 31.625 462 HD2 LYS 83 HD2 LYS 83 -8.902 -1.008 31.674 463 HD3 LYS 83 HD3 LYS 83 -9.335 0.536 32.449 464 HE2 LYS 83 HE2 LYS 83 -10.133 -0.720 34.444 465 HE3 LYS 83 HE3 LYS 83 -9.658 -2.243 33.676 466 HZ1 LYS 83 HZ1 LYS 83 -7.357 -1.465 33.698 467 HZ2 LYS 83 HZ2 LYS 83 -7.793 -0.012 34.322 468 HZ3 LYS 83 HZ3 LYS 83 -7.953 -1.377 35.216 469 HA PRO 84 HA PRO 84 -12.585 0.816 25.746 470 HB2 PRO 84 HB3 PRO 84 -14.403 -1.057 25.005 471 HB3 PRO 84 HB2 PRO 84 -12.644 -1.360 24.989 472 HG2 PRO 84 HG3 PRO 84 -14.622 -2.080 27.192 473 HG3 PRO 84 HG2 PRO 84 -13.463 -3.173 26.367 474 HD2 PRO 84 HD3 PRO 84 -12.898 -1.915 28.751 475 HD3 PRO 84 HD2 PRO 84 -11.642 -2.276 27.529 476 H GLY 85 H GLY 85 -13.443 1.594 28.408 477 HA2 GLY 85 HA2 GLY 85 -16.205 2.619 27.850 478 HA3 GLY 85 HA3 GLY 85 -15.709 2.078 29.462 479 H ALA 86 H ALA 86 -13.304 3.627 27.499 480 HA ALA 86 HA ALA 86 -12.886 5.748 29.388 481 HB1 ALA 86 HB1 ALA 86 -11.092 6.405 27.828 482 HB2 ALA 86 HB2 ALA 86 -11.095 4.654 28.086 483 HB3 ALA 86 HB3 ALA 86 -11.763 5.331 26.583 484 H ASP 87 H ASP 87 -12.690 8.001 28.848 485 HA ASP 87 HA ASP 87 -14.465 9.200 26.813 486 HB2 ASP 87 HB2 ASP 87 -15.829 8.835 28.895 487 HB3 ASP 87 HB3 ASP 87 -14.681 9.829 29.790 488 H VAL 88 H VAL 88 -11.790 8.937 26.799 489 HA VAL 88 HA VAL 88 -10.276 10.997 28.033 490 HB VAL 88 HB VAL 88 -9.493 8.782 27.604 491 HG11 VAL 88 HG11 VAL 88 -9.171 9.454 24.665 492 HG12 VAL 88 HG12 VAL 88 -8.644 7.988 25.503 493 HG13 VAL 88 HG13 VAL 88 -10.371 8.332 25.344 494 HG21 VAL 88 HG21 VAL 88 -7.939 10.680 28.003 495 HG22 VAL 88 HG22 VAL 88 -7.234 9.284 27.172 496 HG23 VAL 88 HG23 VAL 88 -7.643 10.729 26.248 497 H LYS 89 H LYS 89 -11.792 12.727 27.309 498 HA LYS 89 HA LYS 89 -10.538 14.276 25.103 499 HB2 LYS 89 HB2 LYS 89 -12.472 13.465 24.127 500 HB3 LYS 89 HB3 LYS 89 -13.417 13.543 25.635 501 HG2 LYS 89 HG2 LYS 89 -13.541 16.012 25.403 502 HG3 LYS 89 HG3 LYS 89 -12.612 15.888 23.889 503 HD2 LYS 89 HD2 LYS 89 -14.376 14.109 23.193 504 HD3 LYS 89 HD3 LYS 89 -15.363 14.752 24.521 505 HE2 LYS 89 HE2 LYS 89 -15.142 17.040 23.465 506 HE3 LYS 89 HE3 LYS 89 -14.291 16.282 22.112 507 HZ1 LYS 89 HZ1 LYS 89 -16.312 14.953 21.698 508 HZ2 LYS 89 HZ2 LYS 89 -17.083 15.686 22.941 509 HZ3 LYS 89 HZ3 LYS 89 -16.650 16.548 21.624 510 H CYS 90 H CYS 90 -10.356 16.391 25.375 511 HA CYS 90 HA CYS 90 -9.710 17.325 27.954 512 HB2 CYS 90 HB2 CYS 90 -8.585 17.676 25.829 513 HB3 CYS 90 HB3 CYS 90 -9.917 18.671 25.244 514 H ASP 91 H ASP 91 -10.198 19.591 28.543 515 HA ASP 91 HA ASP 91 -13.095 20.359 28.531 516 HB2 ASP 91 HB2 ASP 91 -12.271 19.182 30.639 517 HB3 ASP 91 HB3 ASP 91 -11.192 20.533 30.902 518 H ILE 92 H ILE 92 -9.845 21.312 27.974 519 HA ILE 92 HA ILE 92 -10.149 24.099 28.740 520 HB ILE 92 HB ILE 92 -8.063 22.745 26.965 521 HG12 ILE 92 HG12 ILE 92 -7.908 23.500 29.930 522 HG13 ILE 92 HG13 ILE 92 -8.115 21.863 29.315 523 HG21 ILE 92 HG21 ILE 92 -6.661 24.742 27.339 524 HG22 ILE 92 HG22 ILE 92 -8.141 25.149 26.505 525 HG23 ILE 92 HG23 ILE 92 -7.987 25.507 28.245 526 HD11 ILE 92 HD11 ILE 92 -5.646 23.594 28.990 527 HD12 ILE 92 HD12 ILE 92 -5.826 22.089 29.903 528 HD13 ILE 92 HD13 ILE 92 -5.914 22.057 28.130 529 H CYS 93 H CYS 93 -9.705 22.360 25.692 530 HA CYS 93 HA CYS 93 -10.975 24.416 24.015 531 HB2 CYS 93 HB3 CYS 93 -9.298 23.592 22.427 532 HB3 CYS 93 HB2 CYS 93 -8.533 23.931 23.948 533 H HIS 94 H HIS 94 -11.508 21.404 25.398 534 HA HIS 94 HA HIS 94 -12.953 19.744 25.241 535 HB2 HIS 94 HB3 HIS 94 -14.520 21.667 24.988 536 HB3 HIS 94 HB2 HIS 94 -14.502 21.405 23.246 537 HD1 HIS 94 HD1 HIS 94 -16.908 20.517 22.838 538 HD2 HIS 94 HD2 HIS 94 -14.918 18.680 26.059 539 HE1 HIS 94 HE1 HIS 94 -18.438 18.644 23.651 540 H TYR 95 H TYR 95 -10.622 19.789 23.254 541 HA TYR 95 HA TYR 95 -11.672 18.127 21.085 542 HB2 TYR 95 HB2 TYR 95 -8.960 19.291 21.720 543 HB3 TYR 95 HB3 TYR 95 -9.075 17.937 20.633 544 HD1 TYR 95 HD2 TYR 95 -10.335 21.352 21.335 545 HD2 TYR 95 HD1 TYR 95 -9.821 18.284 18.388 546 HE1 TYR 95 HE2 TYR 95 -11.290 22.888 19.660 547 HE2 TYR 95 HE1 TYR 95 -10.814 19.807 16.641 548 HH TYR 95 HH TYR 95 -11.729 21.867 16.211 549 HA PRO 96 HA PRO 96 -10.785 14.175 23.028 550 HB2 PRO 96 HB3 PRO 96 -10.239 13.089 20.307 551 HB3 PRO 96 HB2 PRO 96 -11.448 12.563 21.528 552 HG2 PRO 96 HG3 PRO 96 -12.210 13.929 19.284 553 HG3 PRO 96 HG2 PRO 96 -12.962 14.225 20.900 554 HD2 PRO 96 HD3 PRO 96 -10.714 15.745 19.597 555 HD3 PRO 96 HD2 PRO 96 -12.268 16.390 20.222 556 H ILE 97 H ILE 97 -9.017 13.295 23.772 557 HA ILE 97 HA ILE 97 -6.408 14.453 23.085 558 HB ILE 97 HB ILE 97 -7.458 12.542 25.136 559 HG12 ILE 97 HG12 ILE 97 -7.993 15.001 25.325 560 HG13 ILE 97 HG13 ILE 97 -7.280 14.249 26.741 561 HG21 ILE 97 HG21 ILE 97 -5.246 11.700 24.763 562 HG22 ILE 97 HG22 ILE 97 -4.565 13.315 25.048 563 HG23 ILE 97 HG23 ILE 97 -5.409 12.451 26.339 564 HD11 ILE 97 HD11 ILE 97 -5.660 15.773 24.700 565 HD12 ILE 97 HD12 ILE 97 -6.457 16.566 26.074 566 HD13 ILE 97 HD13 ILE 97 -5.182 15.352 26.355 567 H GLN 98 H GLN 98 -4.706 13.461 22.152 568 HA GLN 98 HA GLN 98 -5.000 10.682 21.033 569 HB2 GLN 98 HB2 GLN 98 -3.977 13.181 19.619 570 HB3 GLN 98 HB3 GLN 98 -4.008 11.562 18.931 571 HG2 GLN 98 HG3 GLN 98 -6.372 11.547 18.715 572 HG3 GLN 98 HG2 GLN 98 -6.591 12.904 19.821 573 HE21 GLN 98 HE22 GLN 98 -5.649 15.042 19.169 574 HE22 GLN 98 HE21 GLN 98 -5.739 15.440 17.447 575 H PHE 99 H PHE 99 -3.428 9.416 21.625 576 HA PHE 99 HA PHE 99 -0.985 10.460 22.808 577 HB2 PHE 99 HB2 PHE 99 -1.976 7.624 22.316 578 HB3 PHE 99 HB3 PHE 99 -0.563 8.064 23.264 579 HD1 PHE 99 HD1 PHE 99 -0.722 9.035 25.485 580 HD2 PHE 99 HD2 PHE 99 -4.274 8.123 23.210 581 HE1 PHE 99 HE1 PHE 99 -2.117 9.395 27.508 582 HE2 PHE 99 HE2 PHE 99 -5.664 8.531 25.220 583 HZ PHE 99 HZ PHE 99 -4.590 9.174 27.369 584 H LYS 100 H LYS 100 -1.462 10.776 19.875 585 HA LYS 100 HA LYS 100 1.261 10.443 18.964 586 HB2 LYS 100 HB3 LYS 100 -0.190 8.210 18.640 587 HB3 LYS 100 HB2 LYS 100 -0.836 9.047 17.240 588 HG2 LYS 100 HG3 LYS 100 2.153 8.896 17.686 589 HG3 LYS 100 HG2 LYS 100 1.309 7.444 17.161 590 HD2 LYS 100 HD2 LYS 100 0.673 8.367 15.076 591 HD3 LYS 100 HD3 LYS 100 0.996 10.016 15.598 592 HE2 LYS 100 HE3 LYS 100 3.451 9.264 15.934 593 HE3 LYS 100 HE2 LYS 100 3.021 7.830 14.992 594 HZ1 LYS 100 HZ1 LYS 100 2.384 9.328 13.175 595 HZ2 LYS 100 HZ2 LYS 100 2.717 10.656 14.098 596 HZ3 LYS 100 HZ3 LYS 100 3.927 9.653 13.619 597 H THR 101 H THR 101 1.674 11.684 17.058 598 HA THR 101 HA THR 101 -0.492 13.407 15.954 599 HB THR 101 HB THR 101 1.193 15.292 15.891 600 HG1 THR 101 HG1 THR 101 3.001 13.993 16.455 601 HG21 THR 101 HG21 THR 101 -0.728 15.266 17.437 602 HG22 THR 101 HG22 THR 101 0.250 14.410 18.646 603 HG23 THR 101 HG23 THR 101 0.692 16.058 18.132 Start of MODEL 8 1 H1 VAL 19 H1 VAL 19 24.465 -4.669 1.473 2 H2 VAL 19 H2 VAL 19 24.215 -5.196 2.998 3 H3 VAL 19 H3 VAL 19 25.727 -4.802 2.498 4 HA VAL 19 HA VAL 19 23.480 -2.909 2.789 5 HB VAL 19 HB VAL 19 26.003 -3.120 4.486 6 HG11 VAL 19 HG11 VAL 19 25.282 -0.779 4.295 7 HG12 VAL 19 HG12 VAL 19 23.600 -1.237 4.655 8 HG13 VAL 19 HG13 VAL 19 24.866 -1.392 5.891 9 HG21 VAL 19 HG21 VAL 19 24.399 -3.637 6.334 10 HG22 VAL 19 HG22 VAL 19 23.086 -3.751 5.145 11 HG23 VAL 19 HG23 VAL 19 24.443 -4.907 5.120 12 H ALA 20 H ALA 20 23.718 -0.944 1.829 13 HA ALA 20 HA ALA 20 26.334 -0.061 0.772 14 HB1 ALA 20 HB1 ALA 20 25.419 0.172 -1.520 15 HB2 ALA 20 HB2 ALA 20 25.387 -1.518 -1.000 16 HB3 ALA 20 HB3 ALA 20 23.889 -0.562 -0.994 17 H ASN 21 H ASN 21 26.186 2.088 -0.237 18 HA ASN 21 HA ASN 21 24.651 3.952 1.425 19 HB2 ASN 21 HB2 ASN 21 27.111 4.158 0.825 20 HB3 ASN 21 HB3 ASN 21 26.624 4.481 -0.840 21 HD21 ASN 21 HD22 ASN 21 27.008 6.662 -1.161 22 HD22 ASN 21 HD21 ASN 21 26.509 7.918 -0.036 23 H GLU 22 H GLU 22 23.659 2.296 -1.194 24 HA GLU 22 HA GLU 22 21.671 4.309 -2.054 25 HB2 GLU 22 HB2 GLU 22 23.579 2.903 -3.983 26 HB3 GLU 22 HB3 GLU 22 22.077 3.690 -4.468 27 HG2 GLU 22 HG3 GLU 22 22.918 5.847 -3.542 28 HG3 GLU 22 HG2 GLU 22 24.472 5.070 -3.204 29 H GLU 23 H GLU 23 19.901 3.380 -3.189 30 HA GLU 23 HA GLU 23 18.174 1.970 -3.402 31 HB2 GLU 23 HB2 GLU 23 20.050 1.189 -5.048 32 HB3 GLU 23 HB3 GLU 23 20.092 -0.265 -4.054 33 HG2 GLU 23 HG2 GLU 23 17.661 -0.627 -4.548 34 HG3 GLU 23 HG3 GLU 23 17.628 0.884 -5.452 35 H THR 24 H THR 24 19.629 1.796 -0.607 36 HA THR 24 HA THR 24 17.726 -0.096 0.524 37 HB THR 24 HB THR 24 19.646 -1.540 -0.203 38 HG1 THR 24 HG1 THR 24 19.574 -2.706 1.660 39 HG21 THR 24 HG21 THR 24 21.533 -0.007 0.384 40 HG22 THR 24 HG22 THR 24 21.164 -0.255 2.105 41 HG23 THR 24 HG23 THR 24 21.674 -1.624 1.091 42 H ASP 25 H ASP 25 18.217 -0.292 2.961 43 HA ASP 25 HA ASP 25 19.278 2.142 4.255 44 HB2 ASP 25 HB2 ASP 25 16.953 2.754 3.513 45 HB3 ASP 25 HB3 ASP 25 16.320 1.441 4.505 46 H THR 26 H THR 26 19.655 1.916 6.474 47 HA THR 26 HA THR 26 18.998 -0.626 7.855 48 HB THR 26 HB THR 26 21.383 -0.850 8.608 49 HG1 THR 26 HG1 THR 26 21.906 0.875 6.413 50 HG21 THR 26 HG21 THR 26 21.084 -1.114 5.600 51 HG22 THR 26 HG22 THR 26 22.201 -1.984 6.677 52 HG23 THR 26 HG23 THR 26 20.457 -2.266 6.798 53 H ALA 27 H ALA 27 17.975 2.068 8.259 54 HA ALA 27 HA ALA 27 18.924 2.525 11.070 55 HB1 ALA 27 HB1 ALA 27 18.676 4.938 10.702 56 HB2 ALA 27 HB2 ALA 27 19.892 4.244 9.607 57 HB3 ALA 27 HB3 ALA 27 18.267 4.652 8.999 58 H THR 28 H THR 28 17.449 2.864 12.601 59 HA THR 28 HA THR 28 14.654 2.290 12.099 60 HB THR 28 HB THR 28 14.457 2.775 14.586 61 HG1 THR 28 HG1 THR 28 16.398 2.959 15.708 62 HG21 THR 28 HG21 THR 28 16.599 0.763 13.764 63 HG22 THR 28 HG22 THR 28 15.646 0.744 15.264 64 HG23 THR 28 HG23 THR 28 14.844 0.491 13.708 65 H PHE 29 H PHE 29 12.900 3.511 12.589 66 HA PHE 29 HA PHE 29 12.536 5.959 11.494 67 HB2 PHE 29 HB2 PHE 29 10.956 4.899 13.858 68 HB3 PHE 29 HB3 PHE 29 10.381 6.024 12.638 69 HD1 PHE 29 HD1 PHE 29 10.370 5.201 10.149 70 HD2 PHE 29 HD2 PHE 29 10.608 2.567 13.560 71 HE1 PHE 29 HE1 PHE 29 9.592 3.304 8.744 72 HE2 PHE 29 HE2 PHE 29 9.833 0.675 12.150 73 HZ PHE 29 HZ PHE 29 9.325 1.040 9.741 74 H ASN 30 H ASN 30 11.803 8.000 12.266 75 HA ASN 30 HA ASN 30 12.967 9.055 14.791 76 HB2 ASN 30 HB2 ASN 30 14.647 9.221 12.899 77 HB3 ASN 30 HB3 ASN 30 13.503 10.262 12.053 78 HD21 ASN 30 HD22 ASN 30 14.933 12.053 12.088 79 HD22 ASN 30 HD21 ASN 30 15.300 12.896 13.591 80 H ASP 31 H ASP 31 12.324 11.442 15.052 81 HA ASP 31 HA ASP 31 9.650 12.136 13.965 82 HB2 ASP 31 HB2 ASP 31 9.405 10.772 16.075 83 HB3 ASP 31 HB3 ASP 31 10.327 12.008 16.932 84 H ASP 32 H ASP 32 9.028 14.423 14.895 85 HA ASP 32 HA ASP 32 11.335 16.226 15.322 86 HB2 ASP 32 HB2 ASP 32 11.259 15.956 12.896 87 HB3 ASP 32 HB3 ASP 32 9.555 16.416 12.861 88 H ALA 33 H ALA 33 10.874 18.085 16.329 89 HA ALA 33 HA ALA 33 8.094 19.000 16.814 90 HB1 ALA 33 HB1 ALA 33 10.321 18.437 18.818 91 HB2 ALA 33 HB2 ALA 33 8.765 19.176 19.219 92 HB3 ALA 33 HB3 ALA 33 8.822 17.490 18.640 93 HA PRO 34 HA PRO 34 9.522 23.158 16.291 94 HB2 PRO 34 HB3 PRO 34 8.490 23.609 19.072 95 HB3 PRO 34 HB2 PRO 34 8.217 24.617 17.618 96 HG2 PRO 34 HG3 PRO 34 6.291 22.934 18.535 97 HG3 PRO 34 HG2 PRO 34 6.616 23.045 16.816 98 HD2 PRO 34 HD3 PRO 34 7.524 20.885 18.710 99 HD3 PRO 34 HD2 PRO 34 6.969 20.768 17.019 100 H SER 35 H SER 35 10.864 24.784 17.113 101 HA SER 35 HA SER 35 13.211 23.812 18.599 102 HB2 SER 35 HB2 SER 35 12.676 26.592 17.464 103 HB3 SER 35 HB3 SER 35 14.239 25.981 18.042 104 HG SER 35 HG SER 35 14.043 25.829 15.759 105 H GLY 36 H GLY 36 10.348 25.186 19.629 106 HA2 GLY 36 HA2 GLY 36 11.489 25.814 22.303 107 HA3 GLY 36 HA3 GLY 36 10.519 27.044 21.480 108 H ALA 37 H ALA 37 9.676 23.629 21.100 109 HA ALA 37 HA ALA 37 7.043 24.075 22.272 110 HB1 ALA 37 HB1 ALA 37 8.422 21.603 21.163 111 HB2 ALA 37 HB2 ALA 37 6.786 21.595 21.866 112 HB3 ALA 37 HB3 ALA 37 7.110 22.577 20.447 113 H THR 38 H THR 38 6.365 23.570 24.301 114 HA THR 38 HA THR 38 8.020 21.980 26.131 115 HB THR 38 HB THR 38 7.638 23.679 27.934 116 HG1 THR 38 HG1 THR 38 7.344 25.848 27.117 117 HG21 THR 38 HG21 THR 38 9.301 24.758 25.628 118 HG22 THR 38 HG22 THR 38 9.520 25.054 27.374 119 HG23 THR 38 HG23 THR 38 9.798 23.442 26.696 120 H CYS 39 H CYS 39 6.961 21.080 27.893 121 HA CYS 39 HA CYS 39 4.307 20.164 27.577 122 HB2 CYS 39 HB3 CYS 39 5.940 18.986 28.841 123 HB3 CYS 39 HB2 CYS 39 6.259 20.267 29.913 124 H ARG 40 H ARG 40 2.294 21.020 28.041 125 HA ARG 40 HA ARG 40 2.147 23.683 29.283 126 HB2 ARG 40 HB2 ARG 40 -0.139 23.584 28.820 127 HB3 ARG 40 HB3 ARG 40 0.720 22.855 27.475 128 HG2 ARG 40 HG3 ARG 40 -0.564 21.061 27.575 129 HG3 ARG 40 HG2 ARG 40 0.041 20.670 29.182 130 HD2 ARG 40 HD2 ARG 40 -1.712 21.893 30.257 131 HD3 ARG 40 HD3 ARG 40 -2.183 22.704 28.774 132 HE ARG 40 HE ARG 40 -3.071 20.095 29.652 133 HH11 ARG 40 HH22 ARG 40 -2.486 21.953 26.701 134 HH12 ARG 40 HH21 ARG 40 -3.909 21.284 25.939 135 HH21 ARG 40 HH12 ARG 40 -4.785 19.197 28.480 136 HH22 ARG 40 HH11 ARG 40 -5.098 19.779 26.869 137 H ILE 41 H ILE 41 2.545 20.674 30.714 138 HA ILE 41 HA ILE 41 1.051 21.393 33.174 139 HB ILE 41 HB ILE 41 2.401 18.820 32.318 140 HG12 ILE 41 HG12 ILE 41 -0.541 19.520 32.801 141 HG13 ILE 41 HG13 ILE 41 0.197 19.460 31.212 142 HG21 ILE 41 HG21 ILE 41 1.529 17.789 34.355 143 HG22 ILE 41 HG22 ILE 41 2.636 19.076 34.756 144 HG23 ILE 41 HG23 ILE 41 0.884 19.357 34.897 145 HD11 ILE 41 HD11 ILE 41 0.553 17.092 31.328 146 HD12 ILE 41 HD12 ILE 41 -0.008 17.021 33.017 147 HD13 ILE 41 HD13 ILE 41 -1.129 17.456 31.729 148 H CYS 42 H CYS 42 4.483 20.624 32.093 149 HA CYS 42 HA CYS 42 5.274 22.136 34.588 150 HB2 CYS 42 HB2 CYS 42 6.973 20.542 35.044 151 HB3 CYS 42 HB3 CYS 42 5.428 19.711 34.883 152 H ARG 43 H ARG 43 5.274 22.694 31.527 153 HA ARG 43 HA ARG 43 6.432 23.956 30.021 154 HB2 ARG 43 HB2 ARG 43 7.669 25.352 32.395 155 HB3 ARG 43 HB3 ARG 43 7.390 25.996 30.783 156 HG2 ARG 43 HG2 ARG 43 5.323 25.368 32.906 157 HG3 ARG 43 HG3 ARG 43 5.772 26.943 32.277 158 HD2 ARG 43 HD2 ARG 43 4.310 24.760 30.747 159 HD3 ARG 43 HD3 ARG 43 3.575 26.169 31.472 160 HE ARG 43 HE ARG 43 4.968 27.570 29.902 161 HH11 ARG 43 HH11 ARG 43 4.238 24.296 28.835 162 HH12 ARG 43 HH12 ARG 43 3.989 24.833 27.189 163 HH21 ARG 43 HH22 ARG 43 4.605 28.107 27.746 164 HH22 ARG 43 HH21 ARG 43 4.087 26.839 26.649 165 H GLY 44 H GLY 44 7.841 21.484 31.005 166 HA2 GLY 44 HA2 GLY 44 10.679 22.090 30.534 167 HA3 GLY 44 HA3 GLY 44 9.977 20.488 30.751 168 H GLU 45 H GLU 45 11.889 21.380 28.667 169 HA GLU 45 HA GLU 45 10.365 21.535 26.120 170 HB2 GLU 45 HB2 GLU 45 13.338 21.169 26.731 171 HB3 GLU 45 HB3 GLU 45 12.655 21.437 25.131 172 HG2 GLU 45 HG2 GLU 45 11.920 23.671 25.719 173 HG3 GLU 45 HG3 GLU 45 12.418 23.453 27.401 174 H ALA 46 H ALA 46 10.737 20.039 24.423 175 HA ALA 46 HA ALA 46 10.330 17.271 25.151 176 HB1 ALA 46 HB1 ALA 46 11.344 18.395 22.503 177 HB2 ALA 46 HB2 ALA 46 10.842 16.712 22.792 178 HB3 ALA 46 HB3 ALA 46 9.652 18.018 22.909 179 H THR 47 H THR 47 11.686 15.700 25.746 180 HA THR 47 HA THR 47 14.620 16.265 25.667 181 HB THR 47 HB THR 47 14.922 14.696 27.397 182 HG1 THR 47 HG1 THR 47 13.038 13.724 28.336 183 HG21 THR 47 HG21 THR 47 14.096 16.978 28.028 184 HG22 THR 47 HG22 THR 47 12.452 16.299 28.134 185 HG23 THR 47 HG23 THR 47 13.736 15.706 29.214 186 H GLU 48 H GLU 48 15.079 13.347 26.163 187 HA GLU 48 HA GLU 48 14.938 12.279 23.415 188 HB2 GLU 48 HB2 GLU 48 17.093 13.486 24.218 189 HB3 GLU 48 HB3 GLU 48 17.268 12.132 25.339 190 HG2 GLU 48 HG2 GLU 48 17.452 10.581 23.395 191 HG3 GLU 48 HG3 GLU 48 17.104 11.915 22.292 192 H ASP 49 H ASP 49 13.736 12.002 26.103 193 HA ASP 49 HA ASP 49 13.547 9.045 26.384 194 HB2 ASP 49 HB3 ASP 49 15.390 9.767 27.924 195 HB3 ASP 49 HB2 ASP 49 14.260 10.847 28.738 196 H ASN 50 H ASN 50 12.165 12.256 26.697 197 HA ASN 50 HA ASN 50 9.556 11.181 26.876 198 HB2 ASN 50 HB2 ASN 50 10.274 11.248 29.317 199 HB3 ASN 50 HB3 ASN 50 10.820 12.900 29.085 200 HD21 ASN 50 HD22 ASN 50 9.546 14.273 29.999 201 HD22 ASN 50 HD21 ASN 50 7.863 14.007 30.177 202 HA PRO 51 HA PRO 51 10.165 14.774 24.040 203 HB2 PRO 51 HB3 PRO 51 8.351 12.839 22.545 204 HB3 PRO 51 HB2 PRO 51 9.623 13.931 21.890 205 HG2 PRO 51 HG3 PRO 51 10.282 11.374 22.224 206 HG3 PRO 51 HG2 PRO 51 11.304 12.685 22.964 207 HD2 PRO 51 HD3 PRO 51 9.200 11.083 24.414 208 HD3 PRO 51 HD2 PRO 51 10.940 11.236 24.731 209 H LEU 52 H LEU 52 8.473 15.741 22.660 210 HA LEU 52 HA LEU 52 5.795 15.965 24.014 211 HB2 LEU 52 HB2 LEU 52 7.237 18.213 22.608 212 HB3 LEU 52 HB3 LEU 52 5.675 18.301 23.381 213 HG LEU 52 HG LEU 52 8.094 17.533 25.013 214 HD11 LEU 52 HD11 LEU 52 8.389 19.800 25.630 215 HD12 LEU 52 HD12 LEU 52 8.553 19.667 23.872 216 HD13 LEU 52 HD13 LEU 52 7.040 20.322 24.566 217 HD21 LEU 52 HD21 LEU 52 5.434 18.805 25.688 218 HD22 LEU 52 HD22 LEU 52 6.039 17.165 26.066 219 HD23 LEU 52 HD23 LEU 52 6.783 18.574 26.819 220 H PHE 53 H PHE 53 4.094 16.462 22.844 221 HA PHE 53 HA PHE 53 3.816 16.373 19.969 222 HB2 PHE 53 HB2 PHE 53 2.490 14.305 19.927 223 HB3 PHE 53 HB3 PHE 53 4.099 13.934 20.513 224 HD1 PHE 53 HD2 PHE 53 4.480 13.619 23.027 225 HD2 PHE 53 HD1 PHE 53 0.537 13.851 21.286 226 HE1 PHE 53 HE2 PHE 53 3.491 12.892 25.164 227 HE2 PHE 53 HE1 PHE 53 -0.438 13.066 23.421 228 HZ PHE 53 HZ PHE 53 1.025 12.688 25.402 229 H HIS 54 H HIS 54 1.128 16.130 19.793 230 HA HIS 54 HA HIS 54 -0.062 17.545 22.080 231 HB2 HIS 54 HB2 HIS 54 -1.283 19.079 20.845 232 HB3 HIS 54 HB3 HIS 54 0.428 19.253 20.446 233 HD1 HIS 54 HD1 HIS 54 -2.935 18.782 18.869 234 HD2 HIS 54 HD2 HIS 54 1.144 18.316 17.888 235 HE1 HIS 54 HE1 HIS 54 -2.812 18.697 16.321 236 HA PRO 55 HA PRO 55 -2.866 14.052 21.340 237 HB2 PRO 55 HB3 PRO 55 -4.207 14.162 23.718 238 HB3 PRO 55 HB2 PRO 55 -2.525 13.713 23.744 239 HG2 PRO 55 HG3 PRO 55 -3.718 16.529 24.003 240 HG3 PRO 55 HG2 PRO 55 -2.785 15.744 25.172 241 HD2 PRO 55 HD3 PRO 55 -1.632 17.397 23.407 242 HD3 PRO 55 HD2 PRO 55 -0.791 15.849 23.741 243 H CYS 56 H CYS 56 -3.559 17.380 21.587 244 HA CYS 56 HA CYS 56 -6.445 17.072 21.246 245 HB2 CYS 56 HB3 CYS 56 -5.611 17.189 23.614 246 HB3 CYS 56 HB2 CYS 56 -5.363 18.933 23.263 247 H LYS 57 H LYS 57 -7.068 19.941 21.416 248 HA LYS 57 HA LYS 57 -5.422 21.206 19.318 249 HB2 LYS 57 HB2 LYS 57 -8.389 20.690 19.493 250 HB3 LYS 57 HB3 LYS 57 -7.787 21.994 18.475 251 HG2 LYS 57 HG2 LYS 57 -6.861 19.120 18.239 252 HG3 LYS 57 HG3 LYS 57 -8.160 19.839 17.250 253 HD2 LYS 57 HD2 LYS 57 -6.352 21.651 16.723 254 HD3 LYS 57 HD3 LYS 57 -5.192 20.431 17.275 255 HE2 LYS 57 HE2 LYS 57 -5.973 18.829 15.605 256 HE3 LYS 57 HE3 LYS 57 -7.310 19.887 15.145 257 HZ1 LYS 57 HZ1 LYS 57 -5.476 20.046 13.566 258 HZ2 LYS 57 HZ2 LYS 57 -5.706 21.487 14.290 259 HZ3 LYS 57 HZ3 LYS 57 -4.442 20.544 14.726 260 H CYS 58 H CYS 58 -5.682 21.441 22.289 261 HA CYS 58 HA CYS 58 -6.741 23.770 23.209 262 HB2 CYS 58 HB2 CYS 58 -3.917 22.947 23.920 263 HB3 CYS 58 HB3 CYS 58 -5.171 23.631 24.957 264 H ARG 59 H ARG 59 -4.315 23.525 20.891 265 HA ARG 59 HA ARG 59 -3.099 24.916 19.540 266 HB2 ARG 59 HB2 ARG 59 -5.430 25.809 19.275 267 HB3 ARG 59 HB3 ARG 59 -5.065 27.046 20.465 268 HG2 ARG 59 HG3 ARG 59 -4.988 28.018 18.305 269 HG3 ARG 59 HG2 ARG 59 -3.350 28.008 18.937 270 HD2 ARG 59 HD3 ARG 59 -2.873 25.969 17.532 271 HD3 ARG 59 HD2 ARG 59 -4.536 26.052 16.917 272 HE ARG 59 HE ARG 59 -3.230 28.577 16.531 273 HH11 ARG 59 HH12 ARG 59 -3.208 25.362 15.136 274 HH12 ARG 59 HH11 ARG 59 -2.649 25.942 13.591 275 HH21 ARG 59 HH21 ARG 59 -2.523 29.244 14.540 276 HH22 ARG 59 HH22 ARG 59 -2.276 28.083 13.269 277 H GLY 60 H GLY 60 -1.487 26.455 19.278 278 HA2 GLY 60 HA2 GLY 60 0.282 27.821 19.852 279 HA3 GLY 60 HA3 GLY 60 -0.666 28.383 21.224 280 H SER 61 H SER 61 1.499 28.502 22.171 281 HA SER 61 HA SER 61 3.225 26.376 22.741 282 HB2 SER 61 HB2 SER 61 2.765 28.868 24.423 283 HB3 SER 61 HB3 SER 61 4.247 27.895 24.331 284 HG SER 61 HG SER 61 4.358 29.772 23.009 285 H ILE 62 H ILE 62 0.132 26.140 23.862 286 HA ILE 62 HA ILE 62 0.958 24.672 26.289 287 HB ILE 62 HB ILE 62 -1.190 25.288 27.318 288 HG12 ILE 62 HG12 ILE 62 -2.229 27.484 26.494 289 HG13 ILE 62 HG13 ILE 62 -1.490 27.180 24.940 290 HG21 ILE 62 HG21 ILE 62 0.949 26.418 27.847 291 HG22 ILE 62 HG22 ILE 62 0.562 27.682 26.656 292 HG23 ILE 62 HG23 ILE 62 -0.463 27.456 28.086 293 HD11 ILE 62 HD11 ILE 62 -3.888 26.467 25.131 294 HD12 ILE 62 HD12 ILE 62 -2.825 25.129 24.679 295 HD13 ILE 62 HD13 ILE 62 -3.419 25.270 26.352 296 H LYS 63 H LYS 63 0.135 24.161 23.209 297 HA LYS 63 HA LYS 63 -1.881 22.014 23.699 298 HB2 LYS 63 HB2 LYS 63 -2.001 21.678 21.425 299 HB3 LYS 63 HB3 LYS 63 -1.780 23.419 21.553 300 HG2 LYS 63 HG2 LYS 63 0.570 23.213 20.846 301 HG3 LYS 63 HG3 LYS 63 0.483 21.461 20.922 302 HD2 LYS 63 HD3 LYS 63 -1.273 21.471 19.147 303 HD3 LYS 63 HD2 LYS 63 -1.040 23.224 18.972 304 HE2 LYS 63 HE2 LYS 63 1.297 22.909 18.358 305 HE3 LYS 63 HE3 LYS 63 1.226 21.189 18.750 306 HZ1 LYS 63 HZ1 LYS 63 -0.301 22.464 16.540 307 HZ2 LYS 63 HZ2 LYS 63 1.053 21.575 16.355 308 HZ3 LYS 63 HZ3 LYS 63 -0.305 20.862 16.899 309 H TYR 64 H TYR 64 1.532 22.346 23.691 310 HA TYR 64 HA TYR 64 2.159 19.565 23.157 311 HB2 TYR 64 HB3 TYR 64 3.767 22.018 23.884 312 HB3 TYR 64 HB2 TYR 64 4.493 20.412 23.906 313 HD1 TYR 64 HD1 TYR 64 4.268 18.934 21.836 314 HD2 TYR 64 HD2 TYR 64 3.525 23.177 21.768 315 HE1 TYR 64 HE1 TYR 64 4.510 18.912 19.382 316 HE2 TYR 64 HE2 TYR 64 3.739 23.167 19.294 317 HH TYR 64 HH TYR 64 4.064 21.890 17.404 318 H MET 65 H MET 65 2.947 18.027 24.613 319 HA MET 65 HA MET 65 2.807 18.473 27.517 320 HB2 MET 65 HB3 MET 65 0.961 16.533 26.020 321 HB3 MET 65 HB2 MET 65 1.174 16.611 27.770 322 HG2 MET 65 HG2 MET 65 0.245 18.905 27.766 323 HG3 MET 65 HG3 MET 65 -0.002 18.794 26.021 324 HE1 MET 65 HE1 MET 65 -1.421 18.070 29.514 325 HE2 MET 65 HE2 MET 65 -2.508 16.689 29.256 326 HE3 MET 65 HE3 MET 65 -0.748 16.464 29.155 327 H HIS 66 H HIS 66 4.148 16.981 28.560 328 HA HIS 66 HA HIS 66 5.818 15.172 26.962 329 HB2 HIS 66 HB2 HIS 66 5.376 15.319 29.946 330 HB3 HIS 66 HB3 HIS 66 6.507 14.330 29.104 331 HD2 HIS 66 HD2 HIS 66 8.205 16.152 27.333 332 HE1 HIS 66 HE1 HIS 66 8.459 18.961 30.491 333 HE2 HIS 66 HE2 HIS 66 9.594 18.129 28.343 334 H GLU 67 H GLU 67 5.815 12.785 27.148 335 HA GLU 67 HA GLU 67 3.170 11.601 27.077 336 HB2 GLU 67 HB2 GLU 67 5.395 10.643 26.101 337 HB3 GLU 67 HB3 GLU 67 5.672 10.027 27.750 338 HG2 GLU 67 HG2 GLU 67 3.492 8.850 27.670 339 HG3 GLU 67 HG3 GLU 67 3.224 9.453 26.033 340 H SER 68 H SER 68 5.708 11.617 29.591 341 HA SER 68 HA SER 68 4.310 10.156 31.583 342 HB2 SER 68 HB2 SER 68 6.751 10.773 31.489 343 HB3 SER 68 HB3 SER 68 6.288 12.403 32.027 344 HG SER 68 HG SER 68 6.907 10.993 33.771 345 H CYS 69 H CYS 69 4.242 13.669 30.863 346 HA CYS 69 HA CYS 69 2.610 14.258 33.181 347 HB2 CYS 69 HB2 CYS 69 3.293 15.861 30.667 348 HB3 CYS 69 HB3 CYS 69 2.483 16.518 32.102 349 H LEU 70 H LEU 70 1.794 13.838 29.613 350 HA LEU 70 HA LEU 70 -1.016 14.363 29.984 351 HB2 LEU 70 HB2 LEU 70 -0.092 14.188 27.705 352 HB3 LEU 70 HB3 LEU 70 0.465 12.538 28.025 353 HG LEU 70 HG LEU 70 -1.959 11.837 28.184 354 HD11 LEU 70 HD11 LEU 70 -2.903 14.014 28.942 355 HD12 LEU 70 HD12 LEU 70 -2.460 14.726 27.368 356 HD13 LEU 70 HD13 LEU 70 -3.687 13.446 27.476 357 HD21 LEU 70 HD21 LEU 70 -1.228 13.412 25.699 358 HD22 LEU 70 HD22 LEU 70 -0.817 11.710 26.046 359 HD23 LEU 70 HD23 LEU 70 -2.507 12.178 25.803 360 H LEU 71 H LEU 71 0.971 11.420 30.381 361 HA LEU 71 HA LEU 71 -1.039 9.543 30.759 362 HB2 LEU 71 HB3 LEU 71 1.371 9.325 30.275 363 HB3 LEU 71 HB2 LEU 71 1.752 9.858 31.921 364 HG LEU 71 HG LEU 71 0.879 7.764 32.774 365 HD11 LEU 71 HD11 LEU 71 -0.885 7.256 31.128 366 HD12 LEU 71 HD12 LEU 71 0.335 7.090 29.842 367 HD13 LEU 71 HD13 LEU 71 0.273 5.919 31.181 368 HD21 LEU 71 HD21 LEU 71 2.818 7.522 30.404 369 HD22 LEU 71 HD22 LEU 71 3.238 7.918 32.077 370 HD23 LEU 71 HD23 LEU 71 2.635 6.296 31.690 371 H GLU 72 H GLU 72 0.432 11.793 33.013 372 HA GLU 72 HA GLU 72 -0.893 10.607 35.375 373 HB2 GLU 72 HB3 GLU 72 0.353 11.913 36.719 374 HB3 GLU 72 HB2 GLU 72 1.476 11.691 35.333 375 HG2 GLU 72 HG2 GLU 72 1.229 13.805 34.582 376 HG3 GLU 72 HG3 GLU 72 -0.166 14.194 35.594 377 H TRP 73 H TRP 73 -1.439 13.213 33.119 378 HA TRP 73 HA TRP 73 -3.376 14.732 34.612 379 HB2 TRP 73 HB3 TRP 73 -1.922 15.206 32.535 380 HB3 TRP 73 HB2 TRP 73 -3.138 14.473 31.596 381 HD1 TRP 73 HD1 TRP 73 -3.179 17.405 34.103 382 HE1 TRP 73 HE1 TRP 73 -4.863 19.093 33.190 383 HE3 TRP 73 HE3 TRP 73 -4.784 14.826 30.015 384 HZ2 TRP 73 HZ2 TRP 73 -6.530 19.431 30.818 385 HZ3 TRP 73 HZ3 TRP 73 -6.480 15.786 28.506 386 HH2 TRP 73 HH2 TRP 73 -7.326 18.111 28.845 387 H VAL 74 H VAL 74 -3.750 12.483 31.838 388 HA VAL 74 HA VAL 74 -6.595 12.195 31.986 389 HB VAL 74 HB VAL 74 -6.280 10.106 30.719 390 HG11 VAL 74 HG11 VAL 74 -5.100 11.032 28.789 391 HG12 VAL 74 HG12 VAL 74 -6.114 12.279 29.545 392 HG13 VAL 74 HG13 VAL 74 -4.359 12.283 29.796 393 HG21 VAL 74 HG21 VAL 74 -4.424 9.004 31.710 394 HG22 VAL 74 HG22 VAL 74 -3.821 9.506 30.119 395 HG23 VAL 74 HG23 VAL 74 -3.380 10.417 31.561 396 H ALA 75 H ALA 75 -4.082 10.973 34.008 397 HA ALA 75 HA ALA 75 -5.769 8.880 35.275 398 HB1 ALA 75 HB1 ALA 75 -3.028 9.906 36.095 399 HB2 ALA 75 HB2 ALA 75 -3.873 8.497 36.754 400 HB3 ALA 75 HB3 ALA 75 -3.359 8.502 35.059 401 H SER 76 H SER 76 -4.725 12.266 36.086 402 HA SER 76 HA SER 76 -6.116 12.211 38.654 403 HB2 SER 76 HB2 SER 76 -5.654 14.529 38.833 404 HB3 SER 76 HB3 SER 76 -4.203 13.719 38.226 405 HG SER 76 HG SER 76 -4.682 15.681 37.119 406 H LYS 77 H LYS 77 -7.034 12.794 35.332 407 HA LYS 77 HA LYS 77 -9.655 13.958 35.769 408 HB2 LYS 77 HB3 LYS 77 -8.195 12.583 33.460 409 HB3 LYS 77 HB2 LYS 77 -9.715 13.401 33.302 410 HG2 LYS 77 HG2 LYS 77 -7.327 14.917 34.303 411 HG3 LYS 77 HG3 LYS 77 -7.551 14.615 32.572 412 HD2 LYS 77 HD2 LYS 77 -9.744 15.721 32.664 413 HD3 LYS 77 HD3 LYS 77 -9.504 16.046 34.406 414 HE2 LYS 77 HE2 LYS 77 -7.390 17.286 33.791 415 HE3 LYS 77 HE3 LYS 77 -7.812 17.068 32.087 416 HZ1 LYS 77 HZ1 LYS 77 -8.577 19.222 32.905 417 HZ2 LYS 77 HZ2 LYS 77 -9.886 18.319 32.519 418 HZ3 LYS 77 HZ3 LYS 77 -9.465 18.524 34.084 419 H ASN 78 H ASN 78 -8.514 10.892 36.470 420 HA ASN 78 HA ASN 78 -9.485 8.893 36.890 421 HB2 ASN 78 HB3 ASN 78 -10.708 10.095 38.446 422 HB3 ASN 78 HB2 ASN 78 -11.710 10.894 37.276 423 HD21 ASN 78 HD22 ASN 78 -13.674 10.229 36.995 424 HD22 ASN 78 HD21 ASN 78 -14.318 8.670 37.508 425 H ILE 79 H ILE 79 -8.862 9.035 34.257 426 HA ILE 79 HA ILE 79 -11.104 7.519 32.984 427 HB ILE 79 HB ILE 79 -9.354 9.216 31.245 428 HG12 ILE 79 HG12 ILE 79 -11.653 10.332 32.914 429 HG13 ILE 79 HG13 ILE 79 -9.968 10.856 32.865 430 HG21 ILE 79 HG21 ILE 79 -10.961 7.510 30.364 431 HG22 ILE 79 HG22 ILE 79 -12.295 8.408 31.125 432 HG23 ILE 79 HG23 ILE 79 -11.344 9.141 29.820 433 HD11 ILE 79 HD11 ILE 79 -11.276 12.463 31.696 434 HD12 ILE 79 HD12 ILE 79 -10.182 11.647 30.569 435 HD13 ILE 79 HD13 ILE 79 -11.923 11.238 30.593 436 H ASP 80 H ASP 80 -10.564 5.535 32.512 437 HA ASP 80 HA ASP 80 -7.782 4.648 32.475 438 HB2 ASP 80 HB3 ASP 80 -9.495 3.296 33.543 439 HB3 ASP 80 HB2 ASP 80 -10.352 3.102 32.008 440 H ILE 81 H ILE 81 -6.718 5.413 30.776 441 HA ILE 81 HA ILE 81 -7.644 5.644 28.096 442 HB ILE 81 HB ILE 81 -5.404 6.188 27.509 443 HG12 ILE 81 HG13 ILE 81 -4.484 5.097 30.212 444 HG13 ILE 81 HG12 ILE 81 -4.171 4.357 28.639 445 HG21 ILE 81 HG21 ILE 81 -6.814 7.736 28.979 446 HG22 ILE 81 HG22 ILE 81 -5.792 7.242 30.336 447 HG23 ILE 81 HG23 ILE 81 -5.078 8.062 28.934 448 HD11 ILE 81 HD11 ILE 81 -2.194 5.530 29.305 449 HD12 ILE 81 HD12 ILE 81 -2.920 6.412 27.944 450 HD13 ILE 81 HD13 ILE 81 -3.090 7.026 29.608 451 H SER 82 H SER 82 -6.672 2.816 29.793 452 HA SER 82 HA SER 82 -5.611 1.376 27.501 453 HB2 SER 82 HB2 SER 82 -5.065 0.979 29.951 454 HB3 SER 82 HB3 SER 82 -6.662 0.236 30.115 455 HG SER 82 HG SER 82 -5.998 -1.248 28.426 456 H LYS 83 H LYS 83 -8.835 2.169 28.469 457 HA LYS 83 HA LYS 83 -10.064 -0.266 27.370 458 HB2 LYS 83 HB2 LYS 83 -11.269 2.348 28.349 459 HB3 LYS 83 HB3 LYS 83 -12.227 0.998 27.747 460 HG2 LYS 83 HG2 LYS 83 -10.350 0.878 30.134 461 HG3 LYS 83 HG3 LYS 83 -12.102 1.081 30.202 462 HD2 LYS 83 HD2 LYS 83 -12.403 -1.123 29.093 463 HD3 LYS 83 HD3 LYS 83 -10.656 -1.392 29.138 464 HE2 LYS 83 HE2 LYS 83 -12.360 -0.859 31.609 465 HE3 LYS 83 HE3 LYS 83 -12.015 -2.476 30.991 466 HZ1 LYS 83 HZ1 LYS 83 -9.941 -0.540 31.914 467 HZ2 LYS 83 HZ2 LYS 83 -10.447 -1.862 32.723 468 HZ3 LYS 83 HZ3 LYS 83 -9.641 -2.037 31.316 469 HA PRO 84 HA PRO 84 -10.291 1.338 23.252 470 HB2 PRO 84 HB3 PRO 84 -11.559 -0.683 21.955 471 HB3 PRO 84 HB2 PRO 84 -9.994 -0.913 22.800 472 HG2 PRO 84 HG3 PRO 84 -12.779 -1.503 23.880 473 HG3 PRO 84 HG2 PRO 84 -11.372 -2.615 23.827 474 HD2 PRO 84 HD3 PRO 84 -12.015 -1.053 26.028 475 HD3 PRO 84 HD2 PRO 84 -10.345 -1.543 25.639 476 H GLY 85 H GLY 85 -12.668 1.543 25.218 477 HA2 GLY 85 HA2 GLY 85 -14.543 3.008 23.393 478 HA3 GLY 85 HA3 GLY 85 -15.148 1.975 24.700 479 H ALA 86 H ALA 86 -12.191 3.675 25.325 480 HA ALA 86 HA ALA 86 -13.205 5.070 27.586 481 HB1 ALA 86 HB1 ALA 86 -10.988 6.099 27.674 482 HB2 ALA 86 HB2 ALA 86 -10.845 4.387 27.279 483 HB3 ALA 86 HB3 ALA 86 -10.660 5.600 25.995 484 H ASP 87 H ASP 87 -13.224 7.357 28.023 485 HA ASP 87 HA ASP 87 -14.134 9.064 25.740 486 HB2 ASP 87 HB2 ASP 87 -15.948 8.184 27.232 487 HB3 ASP 87 HB3 ASP 87 -15.205 9.042 28.583 488 H VAL 88 H VAL 88 -11.469 8.904 26.557 489 HA VAL 88 HA VAL 88 -10.650 10.945 28.376 490 HB VAL 88 HB VAL 88 -8.868 10.128 26.077 491 HG11 VAL 88 HG11 VAL 88 -7.165 10.277 27.797 492 HG12 VAL 88 HG12 VAL 88 -8.148 11.745 27.880 493 HG13 VAL 88 HG13 VAL 88 -8.386 10.453 29.072 494 HG21 VAL 88 HG21 VAL 88 -8.153 8.118 27.219 495 HG22 VAL 88 HG22 VAL 88 -9.452 8.292 28.423 496 HG23 VAL 88 HG23 VAL 88 -9.819 7.973 26.705 497 H LYS 89 H LYS 89 -11.474 13.021 28.030 498 HA LYS 89 HA LYS 89 -10.607 14.473 25.605 499 HB2 LYS 89 HB2 LYS 89 -12.660 13.557 24.982 500 HB3 LYS 89 HB3 LYS 89 -13.397 13.812 26.583 501 HG2 LYS 89 HG2 LYS 89 -13.528 16.225 26.121 502 HG3 LYS 89 HG3 LYS 89 -12.782 15.937 24.526 503 HD2 LYS 89 HD2 LYS 89 -14.617 14.117 24.217 504 HD3 LYS 89 HD3 LYS 89 -15.444 14.891 25.584 505 HE2 LYS 89 HE2 LYS 89 -15.303 17.063 24.232 506 HE3 LYS 89 HE3 LYS 89 -14.744 16.076 22.873 507 HZ1 LYS 89 HZ1 LYS 89 -17.137 16.409 22.766 508 HZ2 LYS 89 HZ2 LYS 89 -16.869 14.825 23.067 509 HZ3 LYS 89 HZ3 LYS 89 -17.359 15.827 24.270 510 H CYS 90 H CYS 90 -10.340 16.541 25.764 511 HA CYS 90 HA CYS 90 -9.452 17.682 28.186 512 HB2 CYS 90 HB2 CYS 90 -8.542 17.834 25.931 513 HB3 CYS 90 HB3 CYS 90 -9.919 18.807 25.409 514 H ASP 91 H ASP 91 -9.882 20.042 28.528 515 HA ASP 91 HA ASP 91 -12.772 20.789 28.759 516 HB2 ASP 91 HB3 ASP 91 -10.654 21.025 30.935 517 HB3 ASP 91 HB2 ASP 91 -12.288 21.675 31.029 518 H ILE 92 H ILE 92 -9.615 21.708 27.775 519 HA ILE 92 HA ILE 92 -9.936 24.611 28.175 520 HB ILE 92 HB ILE 92 -7.983 23.096 26.388 521 HG12 ILE 92 HG12 ILE 92 -7.614 24.140 29.244 522 HG13 ILE 92 HG13 ILE 92 -7.731 22.445 28.779 523 HG21 ILE 92 HG21 ILE 92 -8.271 25.466 25.736 524 HG22 ILE 92 HG22 ILE 92 -7.906 25.972 27.402 525 HG23 ILE 92 HG23 ILE 92 -6.673 25.183 26.392 526 HD11 ILE 92 HD11 ILE 92 -5.660 22.722 27.383 527 HD12 ILE 92 HD12 ILE 92 -5.456 24.335 28.110 528 HD13 ILE 92 HD13 ILE 92 -5.428 22.893 29.134 529 H CYS 93 H CYS 93 -9.627 22.541 25.323 530 HA CYS 93 HA CYS 93 -11.273 24.292 23.608 531 HB2 CYS 93 HB2 CYS 93 -10.008 23.053 21.813 532 HB3 CYS 93 HB3 CYS 93 -8.960 23.912 22.944 533 H HIS 94 H HIS 94 -11.384 21.477 25.423 534 HA HIS 94 HA HIS 94 -12.648 19.713 25.701 535 HB2 HIS 94 HB3 HIS 94 -14.413 21.496 25.624 536 HB3 HIS 94 HB2 HIS 94 -14.772 20.981 23.975 537 HD1 HIS 94 HD1 HIS 94 -14.187 18.701 27.105 538 HD2 HIS 94 HD2 HIS 94 -17.068 19.756 24.214 539 HE1 HIS 94 HE1 HIS 94 -16.196 17.185 27.506 540 H TYR 95 H TYR 95 -10.768 19.674 23.358 541 HA TYR 95 HA TYR 95 -12.033 17.841 21.493 542 HB2 TYR 95 HB2 TYR 95 -9.293 19.011 21.804 543 HB3 TYR 95 HB3 TYR 95 -9.436 17.531 20.906 544 HD1 TYR 95 HD1 TYR 95 -10.919 20.933 21.314 545 HD2 TYR 95 HD2 TYR 95 -10.047 17.730 18.586 546 HE1 TYR 95 HE1 TYR 95 -11.731 22.347 19.471 547 HE2 TYR 95 HE2 TYR 95 -10.896 19.132 16.687 548 HH TYR 95 HH TYR 95 -11.778 21.153 16.056 549 HA PRO 96 HA PRO 96 -11.083 14.006 23.636 550 HB2 PRO 96 HB3 PRO 96 -10.796 12.731 20.959 551 HB3 PRO 96 HB2 PRO 96 -11.914 12.326 22.309 552 HG2 PRO 96 HG3 PRO 96 -12.814 13.572 20.049 553 HG3 PRO 96 HG2 PRO 96 -13.435 13.974 21.697 554 HD2 PRO 96 HD3 PRO 96 -11.310 15.385 20.120 555 HD3 PRO 96 HD2 PRO 96 -12.780 16.072 20.881 556 H ILE 97 H ILE 97 -9.317 13.115 24.297 557 HA ILE 97 HA ILE 97 -6.700 14.066 23.402 558 HB ILE 97 HB ILE 97 -7.729 12.447 25.685 559 HG12 ILE 97 HG12 ILE 97 -8.114 14.976 25.544 560 HG13 ILE 97 HG13 ILE 97 -7.440 14.348 27.028 561 HG21 ILE 97 HG21 ILE 97 -5.641 12.382 26.804 562 HG22 ILE 97 HG22 ILE 97 -5.555 11.488 25.289 563 HG23 ILE 97 HG23 ILE 97 -4.810 13.089 25.418 564 HD11 ILE 97 HD11 ILE 97 -5.247 15.207 26.450 565 HD12 ILE 97 HD12 ILE 97 -5.796 15.543 24.795 566 HD13 ILE 97 HD13 ILE 97 -6.449 16.485 26.150 567 H GLN 98 H GLN 98 -5.736 13.178 21.866 568 HA GLN 98 HA GLN 98 -5.926 10.244 21.216 569 HB2 GLN 98 HB2 GLN 98 -5.918 12.695 19.412 570 HB3 GLN 98 HB3 GLN 98 -5.769 11.038 18.820 571 HG2 GLN 98 HG3 GLN 98 -7.989 10.474 19.430 572 HG3 GLN 98 HG2 GLN 98 -8.157 11.840 20.527 573 HE21 GLN 98 HE22 GLN 98 -8.587 13.957 19.705 574 HE22 GLN 98 HE21 GLN 98 -9.112 14.164 18.031 575 H PHE 99 H PHE 99 -4.121 9.582 22.065 576 HA PHE 99 HA PHE 99 -1.592 10.696 22.284 577 HB2 PHE 99 HB2 PHE 99 -2.226 7.734 22.160 578 HB3 PHE 99 HB3 PHE 99 -0.990 8.548 23.097 579 HD1 PHE 99 HD2 PHE 99 -1.579 9.716 25.207 580 HD2 PHE 99 HD1 PHE 99 -4.548 7.611 22.897 581 HE1 PHE 99 HE2 PHE 99 -3.177 9.873 27.110 582 HE2 PHE 99 HE1 PHE 99 -6.146 7.790 24.786 583 HZ PHE 99 HZ PHE 99 -5.472 8.939 26.878 584 H LYS 100 H LYS 100 -2.275 10.843 19.442 585 HA LYS 100 HA LYS 100 -1.605 10.369 17.301 586 HB2 LYS 100 HB2 LYS 100 1.025 10.890 18.717 587 HB3 LYS 100 HB3 LYS 100 0.777 10.902 16.970 588 HG2 LYS 100 HG2 LYS 100 -1.255 12.594 17.893 589 HG3 LYS 100 HG3 LYS 100 0.110 12.965 18.962 590 HD2 LYS 100 HD2 LYS 100 1.549 13.144 16.849 591 HD3 LYS 100 HD3 LYS 100 0.064 13.009 15.909 592 HE2 LYS 100 HE2 LYS 100 0.849 15.240 17.832 593 HE3 LYS 100 HE3 LYS 100 0.796 15.321 16.073 594 HZ1 LYS 100 HZ1 LYS 100 -1.161 16.322 16.852 595 HZ2 LYS 100 HZ2 LYS 100 -1.665 14.865 16.298 596 HZ3 LYS 100 HZ3 LYS 100 -1.508 15.145 17.922 597 H THR 101 H THR 101 -2.321 8.101 18.226 598 HA THR 101 HA THR 101 -0.497 5.882 17.988 599 HB THR 101 HB THR 101 -2.657 4.544 17.752 600 HG1 THR 101 HG1 THR 101 -4.541 5.670 18.210 601 HG21 THR 101 HG21 THR 101 -1.509 4.901 19.919 602 HG22 THR 101 HG22 THR 101 -2.399 6.421 20.145 603 HG23 THR 101 HG23 THR 101 -3.269 4.871 20.109 Start of MODEL 9 1 H1 VAL 19 H1 VAL 19 28.194 11.752 -0.405 2 H2 VAL 19 H2 VAL 19 27.615 10.326 -0.992 3 H3 VAL 19 H3 VAL 19 29.115 10.418 -0.338 4 HA VAL 19 HA VAL 19 27.827 9.372 1.280 5 HB VAL 19 HB VAL 19 29.390 11.343 1.893 6 HG11 VAL 19 HG11 VAL 19 28.474 13.200 3.084 7 HG12 VAL 19 HG12 VAL 19 27.690 13.186 1.498 8 HG13 VAL 19 HG13 VAL 19 26.821 12.598 2.934 9 HG21 VAL 19 HG21 VAL 19 29.057 11.018 4.226 10 HG22 VAL 19 HG22 VAL 19 27.394 10.469 4.011 11 HG23 VAL 19 HG23 VAL 19 28.750 9.480 3.410 12 H ALA 20 H ALA 20 25.999 9.783 2.978 13 HA ALA 20 HA ALA 20 23.464 9.937 1.531 14 HB1 ALA 20 HB1 ALA 20 23.973 8.161 3.183 15 HB2 ALA 20 HB2 ALA 20 24.109 9.389 4.464 16 HB3 ALA 20 HB3 ALA 20 22.553 9.106 3.654 17 H ASN 21 H ASN 21 24.747 12.391 1.486 18 HA ASN 21 HA ASN 21 22.758 14.188 2.655 19 HB2 ASN 21 HB2 ASN 21 24.887 13.735 4.251 20 HB3 ASN 21 HB3 ASN 21 25.640 14.930 3.199 21 HD21 ASN 21 HD22 ASN 21 23.843 16.867 2.814 22 HD22 ASN 21 HD21 ASN 21 23.247 17.506 4.355 23 H GLU 22 H GLU 22 24.419 13.249 -0.093 24 HA GLU 22 HA GLU 22 24.021 15.849 -1.378 25 HB2 GLU 22 HB3 GLU 22 26.210 16.055 -2.230 26 HB3 GLU 22 HB2 GLU 22 26.412 15.728 -0.509 27 HG2 GLU 22 HG3 GLU 22 26.603 13.215 -1.277 28 HG3 GLU 22 HG2 GLU 22 26.913 13.906 -2.872 29 H GLU 23 H GLU 23 23.690 12.544 -1.346 30 HA GLU 23 HA GLU 23 23.017 12.290 -4.252 31 HB2 GLU 23 HB3 GLU 23 24.344 10.260 -2.398 32 HB3 GLU 23 HB2 GLU 23 23.781 9.902 -4.032 33 HG2 GLU 23 HG3 GLU 23 25.412 11.361 -5.028 34 HG3 GLU 23 HG2 GLU 23 25.913 11.983 -3.457 35 H THR 24 H THR 24 21.536 12.992 -1.813 36 HA THR 24 HA THR 24 19.182 11.241 -1.930 37 HB THR 24 HB THR 24 19.132 10.998 0.610 38 HG1 THR 24 HG1 THR 24 20.769 12.423 1.159 39 HG21 THR 24 HG21 THR 24 21.457 9.472 -0.606 40 HG22 THR 24 HG22 THR 24 20.435 9.010 0.766 41 HG23 THR 24 HG23 THR 24 19.742 9.065 -0.865 42 H ASP 25 H ASP 25 17.357 12.165 -0.758 43 HA ASP 25 HA ASP 25 17.670 14.918 0.309 44 HB2 ASP 25 HB2 ASP 25 17.060 15.237 -2.020 45 HB3 ASP 25 HB3 ASP 25 15.694 14.121 -1.847 46 H THR 26 H THR 26 16.730 15.110 2.130 47 HA THR 26 HA THR 26 14.226 13.804 2.914 48 HB THR 26 HB THR 26 15.907 12.025 3.239 49 HG1 THR 26 HG1 THR 26 14.795 13.078 5.604 50 HG21 THR 26 HG21 THR 26 17.908 13.319 3.815 51 HG22 THR 26 HG22 THR 26 17.173 13.817 5.354 52 HG23 THR 26 HG23 THR 26 17.540 12.107 5.048 53 H ALA 27 H ALA 27 15.452 16.606 2.688 54 HA ALA 27 HA ALA 27 16.030 17.779 5.095 55 HB1 ALA 27 HB1 ALA 27 15.358 19.869 3.968 56 HB2 ALA 27 HB2 ALA 27 16.275 18.815 2.877 57 HB3 ALA 27 HB3 ALA 27 14.507 18.933 2.720 58 H THR 28 H THR 28 15.025 18.814 6.650 59 HA THR 28 HA THR 28 12.425 17.934 7.550 60 HB THR 28 HB THR 28 12.898 19.400 9.523 61 HG1 THR 28 HG1 THR 28 14.873 20.496 9.549 62 HG21 THR 28 HG21 THR 28 14.868 18.202 10.316 63 HG22 THR 28 HG22 THR 28 13.857 17.095 9.363 64 HG23 THR 28 HG23 THR 28 15.329 17.784 8.647 65 H PHE 29 H PHE 29 13.105 20.191 5.439 66 HA PHE 29 HA PHE 29 11.241 22.344 6.060 67 HB2 PHE 29 HB2 PHE 29 13.401 22.508 4.818 68 HB3 PHE 29 HB3 PHE 29 12.663 21.670 3.462 69 HD1 PHE 29 HD1 PHE 29 12.132 24.659 5.715 70 HD2 PHE 29 HD2 PHE 29 11.674 23.015 1.753 71 HE1 PHE 29 HE1 PHE 29 11.292 26.851 4.900 72 HE2 PHE 29 HE2 PHE 29 10.841 25.210 0.940 73 HZ PHE 29 HZ PHE 29 10.644 27.129 2.513 74 H ASN 30 H ASN 30 9.901 20.042 6.286 75 HA ASN 30 HA ASN 30 7.826 20.144 4.143 76 HB2 ASN 30 HB2 ASN 30 9.430 18.218 3.814 77 HB3 ASN 30 HB3 ASN 30 8.934 17.588 5.385 78 HD21 ASN 30 HD22 ASN 30 7.524 18.659 2.227 79 HD22 ASN 30 HD21 ASN 30 6.292 17.405 2.217 80 H ASP 31 H ASP 31 8.459 20.352 7.548 81 HA ASP 31 HA ASP 31 5.627 20.447 8.175 82 HB2 ASP 31 HB2 ASP 31 7.635 18.550 9.487 83 HB3 ASP 31 HB3 ASP 31 6.177 19.100 10.294 84 H ASP 32 H ASP 32 5.447 21.438 10.405 85 HA ASP 32 HA ASP 32 7.838 23.011 11.286 86 HB2 ASP 32 HB2 ASP 32 6.584 24.392 9.707 87 HB3 ASP 32 HB3 ASP 32 5.099 24.162 10.636 88 H ALA 33 H ALA 33 7.948 23.613 13.548 89 HA ALA 33 HA ALA 33 5.807 23.145 15.408 90 HB1 ALA 33 HB1 ALA 33 7.206 21.456 16.603 91 HB2 ALA 33 HB2 ALA 33 6.695 20.845 15.019 92 HB3 ALA 33 HB3 ALA 33 8.350 21.447 15.240 93 HA PRO 34 HA PRO 34 7.822 26.493 17.415 94 HB2 PRO 34 HB3 PRO 34 8.480 24.455 19.542 95 HB3 PRO 34 HB2 PRO 34 8.082 26.167 19.820 96 HG2 PRO 34 HG3 PRO 34 6.125 24.317 20.045 97 HG3 PRO 34 HG2 PRO 34 5.795 25.724 19.037 98 HD2 PRO 34 HD3 PRO 34 6.634 22.956 18.177 99 HD3 PRO 34 HD2 PRO 34 5.441 24.052 17.417 100 H SER 35 H SER 35 9.689 23.724 17.597 101 HA SER 35 HA SER 35 11.885 23.163 17.720 102 HB2 SER 35 HB2 SER 35 11.863 24.456 15.519 103 HB3 SER 35 HB3 SER 35 12.643 25.786 16.397 104 HG SER 35 HG SER 35 14.164 24.357 15.391 105 H GLY 36 H GLY 36 10.667 24.215 19.749 106 HA2 GLY 36 HA2 GLY 36 12.429 24.526 21.891 107 HA3 GLY 36 HA3 GLY 36 12.024 26.178 21.379 108 H ALA 37 H ALA 37 10.017 23.218 21.414 109 HA ALA 37 HA ALA 37 7.755 24.644 22.615 110 HB1 ALA 37 HB1 ALA 37 6.538 22.611 22.221 111 HB2 ALA 37 HB2 ALA 37 7.524 22.901 20.797 112 HB3 ALA 37 HB3 ALA 37 8.037 21.676 21.974 113 H THR 38 H THR 38 6.591 23.426 24.421 114 HA THR 38 HA THR 38 8.212 22.166 26.453 115 HB THR 38 HB THR 38 7.646 23.760 28.290 116 HG1 THR 38 HG1 THR 38 7.217 25.544 26.129 117 HG21 THR 38 HG21 THR 38 9.564 25.113 28.012 118 HG22 THR 38 HG22 THR 38 9.905 23.583 27.170 119 HG23 THR 38 HG23 THR 38 9.485 25.023 26.237 120 H CYS 39 H CYS 39 7.096 21.316 28.227 121 HA CYS 39 HA CYS 39 4.453 20.305 27.719 122 HB2 CYS 39 HB3 CYS 39 6.133 19.113 28.984 123 HB3 CYS 39 HB2 CYS 39 6.303 20.336 30.149 124 H ARG 40 H ARG 40 2.427 21.042 28.326 125 HA ARG 40 HA ARG 40 2.275 23.767 29.558 126 HB2 ARG 40 HB2 ARG 40 -0.128 23.516 29.418 127 HB3 ARG 40 HB3 ARG 40 0.666 23.234 27.887 128 HG2 ARG 40 HG2 ARG 40 -0.130 21.146 27.656 129 HG3 ARG 40 HG3 ARG 40 0.109 20.721 29.355 130 HD2 ARG 40 HD2 ARG 40 -1.924 21.795 30.013 131 HD3 ARG 40 HD3 ARG 40 -2.101 22.596 28.472 132 HE ARG 40 HE ARG 40 -2.836 19.831 29.125 133 HH11 ARG 40 HH12 ARG 40 -2.349 22.029 26.415 134 HH12 ARG 40 HH11 ARG 40 -3.758 21.389 25.588 135 HH21 ARG 40 HH22 ARG 40 -4.420 18.913 27.806 136 HH22 ARG 40 HH21 ARG 40 -4.642 19.542 26.197 137 H ILE 41 H ILE 41 2.618 20.631 30.800 138 HA ILE 41 HA ILE 41 1.173 21.178 33.308 139 HB ILE 41 HB ILE 41 2.609 18.667 32.401 140 HG12 ILE 41 HG12 ILE 41 -0.378 19.342 32.467 141 HG13 ILE 41 HG13 ILE 41 0.596 19.355 31.013 142 HG21 ILE 41 HG21 ILE 41 1.527 17.517 34.219 143 HG22 ILE 41 HG22 ILE 41 2.493 18.821 34.856 144 HG23 ILE 41 HG23 ILE 41 0.727 19.022 34.747 145 HD11 ILE 41 HD11 ILE 41 0.915 17.048 30.957 146 HD12 ILE 41 HD12 ILE 41 0.301 16.810 32.608 147 HD13 ILE 41 HD13 ILE 41 -0.794 17.326 31.322 148 H CYS 42 H CYS 42 4.636 20.615 32.244 149 HA CYS 42 HA CYS 42 5.331 21.913 34.884 150 HB2 CYS 42 HB3 CYS 42 7.052 20.277 35.311 151 HB3 CYS 42 HB2 CYS 42 5.458 19.519 35.184 152 H ARG 43 H ARG 43 5.384 22.622 31.901 153 HA ARG 43 HA ARG 43 6.612 23.918 30.459 154 HB2 ARG 43 HB3 ARG 43 7.152 25.061 33.189 155 HB3 ARG 43 HB2 ARG 43 8.028 25.719 31.825 156 HG2 ARG 43 HG2 ARG 43 6.082 27.049 32.151 157 HG3 ARG 43 HG3 ARG 43 5.967 26.198 30.617 158 HD2 ARG 43 HD2 ARG 43 3.795 26.217 31.645 159 HD3 ARG 43 HD3 ARG 43 4.390 24.573 31.620 160 HE ARG 43 HE ARG 43 4.454 24.540 33.953 161 HH11 ARG 43 HH12 ARG 43 3.911 27.869 32.996 162 HH12 ARG 43 HH11 ARG 43 3.529 28.361 34.623 163 HH21 ARG 43 HH22 ARG 43 3.958 25.242 35.996 164 HH22 ARG 43 HH21 ARG 43 3.560 26.911 36.265 165 H GLY 44 H GLY 44 7.979 21.364 31.383 166 HA2 GLY 44 HA2 GLY 44 10.813 21.962 30.981 167 HA3 GLY 44 HA3 GLY 44 10.102 20.353 31.041 168 H GLU 45 H GLU 45 12.058 21.187 29.052 169 HA GLU 45 HA GLU 45 10.546 21.684 26.531 170 HB2 GLU 45 HB2 GLU 45 13.508 21.222 27.125 171 HB3 GLU 45 HB3 GLU 45 12.832 21.583 25.537 172 HG2 GLU 45 HG2 GLU 45 12.085 23.786 26.285 173 HG3 GLU 45 HG3 GLU 45 12.659 23.467 27.925 174 H ALA 46 H ALA 46 10.907 20.272 24.721 175 HA ALA 46 HA ALA 46 10.366 17.487 25.314 176 HB1 ALA 46 HB1 ALA 46 11.533 18.675 22.756 177 HB2 ALA 46 HB2 ALA 46 10.893 17.027 22.950 178 HB3 ALA 46 HB3 ALA 46 9.807 18.416 23.088 179 H THR 47 H THR 47 11.643 15.882 25.984 180 HA THR 47 HA THR 47 14.583 16.365 26.048 181 HB THR 47 HB THR 47 14.804 14.692 27.666 182 HG1 THR 47 HG1 THR 47 12.964 13.557 28.404 183 HG21 THR 47 HG21 THR 47 12.231 16.148 28.351 184 HG22 THR 47 HG22 THR 47 13.459 15.514 29.472 185 HG23 THR 47 HG23 THR 47 13.850 16.888 28.416 186 H GLU 48 H GLU 48 14.734 13.191 26.232 187 HA GLU 48 HA GLU 48 14.759 12.582 23.360 188 HB2 GLU 48 HB2 GLU 48 16.874 12.091 25.470 189 HB3 GLU 48 HB3 GLU 48 16.939 11.357 23.868 190 HG2 GLU 48 HG2 GLU 48 17.130 14.334 24.491 191 HG3 GLU 48 HG3 GLU 48 18.469 13.279 24.066 192 H ASP 49 H ASP 49 13.456 12.040 26.134 193 HA ASP 49 HA ASP 49 12.771 9.176 25.847 194 HB2 ASP 49 HB2 ASP 49 13.845 10.460 28.399 195 HB3 ASP 49 HB3 ASP 49 12.978 8.929 28.364 196 H ASN 50 H ASN 50 11.887 12.460 26.435 197 HA ASN 50 HA ASN 50 9.170 11.754 26.740 198 HB2 ASN 50 HB3 ASN 50 10.634 12.476 29.014 199 HB3 ASN 50 HB2 ASN 50 10.390 14.051 28.386 200 HD21 ASN 50 HD22 ASN 50 9.340 14.411 30.361 201 HD22 ASN 50 HD21 ASN 50 7.748 13.756 30.562 202 HA PRO 51 HA PRO 51 9.958 14.896 23.459 203 HB2 PRO 51 HB3 PRO 51 7.963 12.934 22.251 204 HB3 PRO 51 HB2 PRO 51 9.242 13.918 21.436 205 HG2 PRO 51 HG3 PRO 51 9.860 11.368 21.998 206 HG3 PRO 51 HG2 PRO 51 10.924 12.738 22.581 207 HD2 PRO 51 HD3 PRO 51 8.891 11.289 24.252 208 HD3 PRO 51 HD2 PRO 51 10.651 11.453 24.438 209 H LEU 52 H LEU 52 8.534 16.244 22.571 210 HA LEU 52 HA LEU 52 5.825 16.478 23.864 211 HB2 LEU 52 HB2 LEU 52 7.414 18.732 22.653 212 HB3 LEU 52 HB3 LEU 52 5.849 18.857 23.418 213 HG LEU 52 HG LEU 52 8.231 17.823 24.960 214 HD11 LEU 52 HD11 LEU 52 8.724 20.072 24.070 215 HD12 LEU 52 HD12 LEU 52 7.197 20.648 24.801 216 HD13 LEU 52 HD13 LEU 52 8.534 20.033 25.834 217 HD21 LEU 52 HD21 LEU 52 5.603 19.041 25.822 218 HD22 LEU 52 HD22 LEU 52 6.224 17.377 26.048 219 HD23 LEU 52 HD23 LEU 52 6.975 18.725 26.905 220 H PHE 53 H PHE 53 4.121 16.804 22.798 221 HA PHE 53 HA PHE 53 3.795 17.054 19.906 222 HB2 PHE 53 HB2 PHE 53 2.563 14.940 19.709 223 HB3 PHE 53 HB3 PHE 53 4.189 14.582 20.267 224 HD1 PHE 53 HD1 PHE 53 4.579 14.130 22.764 225 HD2 PHE 53 HD2 PHE 53 0.628 14.335 21.035 226 HE1 PHE 53 HE1 PHE 53 3.615 13.305 24.864 227 HE2 PHE 53 HE2 PHE 53 -0.325 13.430 23.130 228 HZ PHE 53 HZ PHE 53 1.155 13.013 25.098 229 H HIS 54 H HIS 54 1.195 16.905 19.622 230 HA HIS 54 HA HIS 54 -0.067 17.994 22.062 231 HB2 HIS 54 HB2 HIS 54 -1.249 19.622 20.974 232 HB3 HIS 54 HB3 HIS 54 0.446 19.791 20.539 233 HD1 HIS 54 HD1 HIS 54 -2.933 19.652 19.065 234 HD2 HIS 54 HD2 HIS 54 1.068 19.069 17.894 235 HE1 HIS 54 HE1 HIS 54 -2.888 19.897 16.514 236 HA PRO 55 HA PRO 55 -2.792 14.462 21.137 237 HB2 PRO 55 HB3 PRO 55 -4.141 14.444 23.516 238 HB3 PRO 55 HB2 PRO 55 -2.443 14.106 23.577 239 HG2 PRO 55 HG3 PRO 55 -3.763 16.846 23.755 240 HG3 PRO 55 HG2 PRO 55 -2.938 16.151 24.999 241 HD2 PRO 55 HD3 PRO 55 -1.639 17.773 23.315 242 HD3 PRO 55 HD2 PRO 55 -0.802 16.216 23.622 243 H CYS 56 H CYS 56 -3.522 17.743 21.392 244 HA CYS 56 HA CYS 56 -6.340 17.523 20.795 245 HB2 CYS 56 HB2 CYS 56 -7.104 18.737 22.635 246 HB3 CYS 56 HB3 CYS 56 -6.354 17.259 23.094 247 H LYS 57 H LYS 57 -7.280 19.542 20.144 248 HA LYS 57 HA LYS 57 -5.586 21.333 18.666 249 HB2 LYS 57 HB2 LYS 57 -8.516 21.532 19.219 250 HB3 LYS 57 HB3 LYS 57 -7.633 22.319 17.924 251 HG2 LYS 57 HG2 LYS 57 -6.967 19.552 17.717 252 HG3 LYS 57 HG3 LYS 57 -8.706 19.590 17.991 253 HD2 LYS 57 HD2 LYS 57 -7.189 21.231 15.917 254 HD3 LYS 57 HD3 LYS 57 -7.870 19.644 15.607 255 HE2 LYS 57 HE2 LYS 57 -9.490 22.093 16.485 256 HE3 LYS 57 HE3 LYS 57 -9.301 21.578 14.808 257 HZ1 LYS 57 HZ1 LYS 57 -11.364 20.739 15.710 258 HZ2 LYS 57 HZ2 LYS 57 -10.387 19.472 15.396 259 HZ3 LYS 57 HZ3 LYS 57 -10.609 19.976 16.940 260 H CYS 58 H CYS 58 -5.216 21.494 21.609 261 HA CYS 58 HA CYS 58 -6.301 23.843 22.741 262 HB2 CYS 58 HB3 CYS 58 -3.897 22.163 23.228 263 HB3 CYS 58 HB2 CYS 58 -3.910 23.786 23.964 264 H ARG 59 H ARG 59 -4.192 23.755 20.139 265 HA ARG 59 HA ARG 59 -2.659 25.199 19.155 266 HB2 ARG 59 HB3 ARG 59 -4.892 25.167 18.166 267 HB3 ARG 59 HB2 ARG 59 -5.307 26.653 19.007 268 HG2 ARG 59 HG2 ARG 59 -2.825 26.535 17.262 269 HG3 ARG 59 HG3 ARG 59 -4.403 26.593 16.480 270 HD2 ARG 59 HD2 ARG 59 -3.390 28.672 18.448 271 HD3 ARG 59 HD3 ARG 59 -3.271 28.790 16.709 272 HE ARG 59 HE ARG 59 -5.622 29.015 16.490 273 HH11 ARG 59 HH12 ARG 59 -4.793 28.955 19.920 274 HH12 ARG 59 HH11 ARG 59 -6.240 29.833 20.344 275 HH21 ARG 59 HH22 ARG 59 -7.445 30.058 17.142 276 HH22 ARG 59 HH21 ARG 59 -7.704 30.399 18.826 277 H GLY 60 H GLY 60 -1.114 25.920 20.359 278 HA2 GLY 60 HA2 GLY 60 -0.296 28.442 20.523 279 HA3 GLY 60 HA3 GLY 60 -1.298 28.396 21.980 280 H SER 61 H SER 61 1.049 28.971 22.753 281 HA SER 61 HA SER 61 3.073 26.989 22.986 282 HB2 SER 61 HB2 SER 61 2.497 29.310 24.871 283 HB3 SER 61 HB3 SER 61 4.048 28.476 24.652 284 HG SER 61 HG SER 61 3.944 30.437 23.459 285 H ILE 62 H ILE 62 0.131 26.465 24.200 286 HA ILE 62 HA ILE 62 1.063 24.850 26.517 287 HB ILE 62 HB ILE 62 -1.235 25.290 27.499 288 HG12 ILE 62 HG12 ILE 62 -2.342 27.416 26.922 289 HG13 ILE 62 HG13 ILE 62 -1.298 27.647 25.542 290 HG21 ILE 62 HG21 ILE 62 -0.537 27.379 28.535 291 HG22 ILE 62 HG22 ILE 62 0.856 26.307 28.323 292 HG23 ILE 62 HG23 ILE 62 0.623 27.683 27.224 293 HD11 ILE 62 HD11 ILE 62 -3.594 26.798 25.002 294 HD12 ILE 62 HD12 ILE 62 -2.314 25.747 24.393 295 HD13 ILE 62 HD13 ILE 62 -3.218 25.295 25.865 296 H LYS 63 H LYS 63 0.162 24.521 23.406 297 HA LYS 63 HA LYS 63 -1.766 22.322 23.779 298 HB2 LYS 63 HB2 LYS 63 -1.846 22.090 21.481 299 HB3 LYS 63 HB3 LYS 63 -1.669 23.824 21.709 300 HG2 LYS 63 HG2 LYS 63 0.710 23.696 21.039 301 HG3 LYS 63 HG3 LYS 63 0.638 21.945 20.997 302 HD2 LYS 63 HD2 LYS 63 -1.119 22.087 19.202 303 HD3 LYS 63 HD3 LYS 63 -0.837 23.837 19.136 304 HE2 LYS 63 HE3 LYS 63 1.494 23.506 18.526 305 HE3 LYS 63 HE2 LYS 63 1.375 21.767 18.807 306 HZ1 LYS 63 HZ1 LYS 63 1.243 22.324 16.443 307 HZ2 LYS 63 HZ2 LYS 63 -0.131 21.590 16.923 308 HZ3 LYS 63 HZ3 LYS 63 -0.106 23.214 16.673 309 H TYR 64 H TYR 64 1.635 22.652 23.890 310 HA TYR 64 HA TYR 64 2.270 19.903 23.188 311 HB2 TYR 64 HB2 TYR 64 3.849 22.328 24.031 312 HB3 TYR 64 HB3 TYR 64 4.595 20.735 23.955 313 HD1 TYR 64 HD2 TYR 64 4.411 19.392 21.790 314 HD2 TYR 64 HD1 TYR 64 3.478 23.594 21.994 315 HE1 TYR 64 HE2 TYR 64 4.559 19.522 19.327 316 HE2 TYR 64 HE1 TYR 64 3.605 23.730 19.513 317 HH TYR 64 HH TYR 64 4.293 20.860 17.471 318 H MET 65 H MET 65 3.085 18.325 24.520 319 HA MET 65 HA MET 65 2.933 18.583 27.473 320 HB2 MET 65 HB2 MET 65 1.162 16.683 25.846 321 HB3 MET 65 HB3 MET 65 1.330 16.695 27.602 322 HG2 MET 65 HG2 MET 65 0.325 18.952 27.674 323 HG3 MET 65 HG3 MET 65 0.147 18.924 25.914 324 HE1 MET 65 HE1 MET 65 -2.405 16.624 28.966 325 HE2 MET 65 HE2 MET 65 -0.633 16.468 28.939 326 HE3 MET 65 HE3 MET 65 -1.383 18.040 29.293 327 H HIS 66 H HIS 66 4.223 17.160 28.471 328 HA HIS 66 HA HIS 66 6.038 15.404 27.008 329 HB2 HIS 66 HB3 HIS 66 5.198 15.806 29.837 330 HB3 HIS 66 HB2 HIS 66 6.096 14.529 29.597 331 HD2 HIS 66 HD2 HIS 66 8.189 16.308 27.434 332 HE1 HIS 66 HE1 HIS 66 8.636 18.932 30.715 333 HE2 HIS 66 HE2 HIS 66 9.721 18.131 28.520 334 H GLU 67 H GLU 67 5.975 13.177 26.840 335 HA GLU 67 HA GLU 67 3.403 11.902 26.557 336 HB2 GLU 67 HB2 GLU 67 5.645 11.326 25.435 337 HB3 GLU 67 HB3 GLU 67 6.103 10.542 26.953 338 HG2 GLU 67 HG2 GLU 67 4.062 9.072 26.725 339 HG3 GLU 67 HG3 GLU 67 3.751 9.816 25.153 340 H SER 68 H SER 68 5.696 12.124 29.268 341 HA SER 68 HA SER 68 4.280 10.043 30.855 342 HB2 SER 68 HB2 SER 68 6.422 12.046 31.692 343 HB3 SER 68 HB3 SER 68 5.840 10.667 32.639 344 HG SER 68 HG SER 68 7.193 10.577 30.124 345 H CYS 69 H CYS 69 4.210 13.554 30.541 346 HA CYS 69 HA CYS 69 2.689 13.939 32.968 347 HB2 CYS 69 HB2 CYS 69 3.374 15.728 30.583 348 HB3 CYS 69 HB3 CYS 69 2.678 16.309 32.037 349 H LEU 70 H LEU 70 1.922 13.788 29.387 350 HA LEU 70 HA LEU 70 -0.868 14.397 29.734 351 HB2 LEU 70 HB2 LEU 70 0.031 14.312 27.456 352 HB3 LEU 70 HB3 LEU 70 0.582 12.642 27.704 353 HG LEU 70 HG LEU 70 -1.806 11.925 27.798 354 HD11 LEU 70 HD11 LEU 70 -2.743 14.076 28.716 355 HD12 LEU 70 HD12 LEU 70 -2.412 14.827 27.127 356 HD13 LEU 70 HD13 LEU 70 -3.567 13.486 27.294 357 HD21 LEU 70 HD21 LEU 70 -0.660 11.991 25.647 358 HD22 LEU 70 HD22 LEU 70 -2.377 12.409 25.452 359 HD23 LEU 70 HD23 LEU 70 -1.151 13.698 25.425 360 H LEU 71 H LEU 71 0.986 11.369 29.911 361 HA LEU 71 HA LEU 71 -1.103 9.566 30.295 362 HB2 LEU 71 HB2 LEU 71 1.807 9.728 31.080 363 HB3 LEU 71 HB3 LEU 71 0.909 8.384 31.709 364 HG LEU 71 HG LEU 71 1.089 8.949 28.718 365 HD11 LEU 71 HD11 LEU 71 3.283 8.272 29.689 366 HD12 LEU 71 HD12 LEU 71 2.514 6.853 30.429 367 HD13 LEU 71 HD13 LEU 71 2.607 7.008 28.658 368 HD21 LEU 71 HD21 LEU 71 0.241 6.623 28.518 369 HD22 LEU 71 HD22 LEU 71 0.013 6.565 30.280 370 HD23 LEU 71 HD23 LEU 71 -0.936 7.687 29.281 371 H GLU 72 H GLU 72 0.397 11.697 32.675 372 HA GLU 72 HA GLU 72 -1.079 10.418 34.901 373 HB2 GLU 72 HB3 GLU 72 0.072 11.691 36.375 374 HB3 GLU 72 HB2 GLU 72 1.325 11.282 35.099 375 HG2 GLU 72 HG2 GLU 72 1.315 13.324 34.210 376 HG3 GLU 72 HG3 GLU 72 0.013 13.968 35.229 377 H TRP 73 H TRP 73 -1.206 13.332 32.906 378 HA TRP 73 HA TRP 73 -3.064 14.823 34.465 379 HB2 TRP 73 HB2 TRP 73 -1.672 15.686 32.649 380 HB3 TRP 73 HB3 TRP 73 -2.590 14.746 31.475 381 HD1 TRP 73 HD1 TRP 73 -3.075 17.675 33.960 382 HE1 TRP 73 HE1 TRP 73 -4.927 19.234 33.060 383 HE3 TRP 73 HE3 TRP 73 -4.554 14.933 29.904 384 HZ2 TRP 73 HZ2 TRP 73 -6.567 19.423 30.695 385 HZ3 TRP 73 HZ3 TRP 73 -6.251 15.819 28.343 386 HH2 TRP 73 HH2 TRP 73 -7.212 18.093 28.692 387 H VAL 74 H VAL 74 -3.621 12.543 31.707 388 HA VAL 74 HA VAL 74 -6.502 12.605 31.950 389 HB VAL 74 HB VAL 74 -6.508 10.563 30.601 390 HG11 VAL 74 HG11 VAL 74 -4.398 12.487 29.566 391 HG12 VAL 74 HG12 VAL 74 -5.408 11.394 28.607 392 HG13 VAL 74 HG13 VAL 74 -6.156 12.743 29.481 393 HG21 VAL 74 HG21 VAL 74 -3.496 10.479 31.081 394 HG22 VAL 74 HG22 VAL 74 -4.697 9.244 31.486 395 HG23 VAL 74 HG23 VAL 74 -4.325 9.582 29.805 396 H ALA 75 H ALA 75 -4.040 10.758 33.612 397 HA ALA 75 HA ALA 75 -5.869 8.841 34.823 398 HB1 ALA 75 HB1 ALA 75 -3.958 8.193 36.195 399 HB2 ALA 75 HB2 ALA 75 -3.466 8.348 34.500 400 HB3 ALA 75 HB3 ALA 75 -3.052 9.623 35.674 401 H SER 76 H SER 76 -5.124 12.169 35.456 402 HA SER 76 HA SER 76 -6.037 12.078 38.282 403 HB2 SER 76 HB2 SER 76 -5.326 14.443 36.504 404 HB3 SER 76 HB3 SER 76 -5.641 14.492 38.244 405 HG SER 76 HG SER 76 -3.542 13.062 36.938 406 H LYS 77 H LYS 77 -7.611 11.819 35.408 407 HA LYS 77 HA LYS 77 -9.930 13.589 35.995 408 HB2 LYS 77 HB2 LYS 77 -9.279 12.055 33.506 409 HB3 LYS 77 HB3 LYS 77 -10.470 13.331 33.683 410 HG2 LYS 77 HG3 LYS 77 -7.555 13.885 34.284 411 HG3 LYS 77 HG2 LYS 77 -8.066 13.778 32.697 412 HD2 LYS 77 HD2 LYS 77 -9.747 15.628 33.142 413 HD3 LYS 77 HD3 LYS 77 -9.108 15.725 34.795 414 HE2 LYS 77 HE2 LYS 77 -7.477 16.139 32.253 415 HE3 LYS 77 HE3 LYS 77 -8.181 17.441 33.214 416 HZ1 LYS 77 HZ1 LYS 77 -6.832 16.709 35.103 417 HZ2 LYS 77 HZ2 LYS 77 -6.182 15.480 34.216 418 HZ3 LYS 77 HZ3 LYS 77 -5.864 17.033 33.822 419 H ASN 78 H ASN 78 -9.204 10.541 36.901 420 HA ASN 78 HA ASN 78 -10.407 8.706 37.527 421 HB2 ASN 78 HB2 ASN 78 -11.540 10.185 38.902 422 HB3 ASN 78 HB3 ASN 78 -12.428 10.945 37.626 423 HD21 ASN 78 HD22 ASN 78 -14.442 10.512 37.465 424 HD22 ASN 78 HD21 ASN 78 -15.260 9.074 38.088 425 H ILE 79 H ILE 79 -9.682 8.636 34.935 426 HA ILE 79 HA ILE 79 -11.868 7.056 33.676 427 HB ILE 79 HB ILE 79 -10.123 8.726 31.883 428 HG12 ILE 79 HG12 ILE 79 -12.520 9.867 33.369 429 HG13 ILE 79 HG13 ILE 79 -10.854 10.434 33.324 430 HG21 ILE 79 HG21 ILE 79 -13.020 7.816 31.649 431 HG22 ILE 79 HG22 ILE 79 -11.973 8.454 30.357 432 HG23 ILE 79 HG23 ILE 79 -11.623 6.880 31.071 433 HD11 ILE 79 HD11 ILE 79 -12.780 10.569 30.999 434 HD12 ILE 79 HD12 ILE 79 -12.130 11.905 31.967 435 HD13 ILE 79 HD13 ILE 79 -11.041 10.974 30.923 436 H ASP 80 H ASP 80 -11.167 5.054 33.252 437 HA ASP 80 HA ASP 80 -8.301 4.407 33.250 438 HB2 ASP 80 HB2 ASP 80 -9.966 2.968 34.356 439 HB3 ASP 80 HB3 ASP 80 -10.718 2.622 32.799 440 H ILE 81 H ILE 81 -7.191 4.946 31.495 441 HA ILE 81 HA ILE 81 -8.200 5.337 28.871 442 HB ILE 81 HB ILE 81 -5.887 5.525 28.173 443 HG12 ILE 81 HG12 ILE 81 -5.086 4.553 30.959 444 HG13 ILE 81 HG13 ILE 81 -4.902 3.635 29.462 445 HG21 ILE 81 HG21 ILE 81 -5.308 7.412 29.570 446 HG22 ILE 81 HG22 ILE 81 -7.065 7.351 29.389 447 HG23 ILE 81 HG23 ILE 81 -6.313 6.810 30.902 448 HD11 ILE 81 HD11 ILE 81 -3.409 5.444 28.571 449 HD12 ILE 81 HD12 ILE 81 -3.467 6.218 30.174 450 HD13 ILE 81 HD13 ILE 81 -2.777 4.598 29.999 451 H SER 82 H SER 82 -7.427 2.366 30.438 452 HA SER 82 HA SER 82 -6.797 0.923 27.975 453 HB2 SER 82 HB2 SER 82 -5.867 0.431 30.285 454 HB3 SER 82 HB3 SER 82 -7.460 -0.202 30.721 455 HG SER 82 HG SER 82 -7.207 -1.695 28.932 456 H LYS 83 H LYS 83 -9.745 1.928 29.471 457 HA LYS 83 HA LYS 83 -11.293 -0.415 28.535 458 HB2 LYS 83 HB3 LYS 83 -12.167 2.120 29.965 459 HB3 LYS 83 HB2 LYS 83 -13.247 0.801 29.537 460 HG2 LYS 83 HG2 LYS 83 -10.865 0.621 31.417 461 HG3 LYS 83 HG3 LYS 83 -12.559 0.703 31.884 462 HD2 LYS 83 HD3 LYS 83 -11.253 -1.611 30.390 463 HD3 LYS 83 HD2 LYS 83 -11.627 -1.551 32.111 464 HE2 LYS 83 HE2 LYS 83 -14.046 -1.273 31.588 465 HE3 LYS 83 HE3 LYS 83 -13.685 -1.399 29.863 466 HZ1 LYS 83 HZ1 LYS 83 -14.372 -3.539 30.779 467 HZ2 LYS 83 HZ2 LYS 83 -12.821 -3.649 30.283 468 HZ3 LYS 83 HZ3 LYS 83 -13.167 -3.525 31.874 469 HA PRO 84 HA PRO 84 -12.421 1.577 24.757 470 HB2 PRO 84 HB3 PRO 84 -14.094 -0.265 23.654 471 HB3 PRO 84 HB2 PRO 84 -12.388 -0.653 24.044 472 HG2 PRO 84 HG3 PRO 84 -14.850 -1.208 25.746 473 HG3 PRO 84 HG2 PRO 84 -13.574 -2.369 25.259 474 HD2 PRO 84 HD3 PRO 84 -13.557 -0.995 27.668 475 HD3 PRO 84 HD2 PRO 84 -12.067 -1.508 26.831 476 H GLY 85 H GLY 85 -14.323 1.613 27.246 477 HA2 GLY 85 HA3 GLY 85 -16.659 3.041 25.995 478 HA3 GLY 85 HA2 GLY 85 -16.683 2.260 27.581 479 H ALA 86 H ALA 86 -13.737 3.856 27.094 480 HA ALA 86 HA ALA 86 -14.235 5.824 29.142 481 HB1 ALA 86 HB1 ALA 86 -11.878 6.394 28.738 482 HB2 ALA 86 HB2 ALA 86 -12.087 4.643 28.804 483 HB3 ALA 86 HB3 ALA 86 -11.884 5.450 27.232 484 H ASP 87 H ASP 87 -13.559 8.116 28.881 485 HA ASP 87 HA ASP 87 -14.345 9.427 26.326 486 HB2 ASP 87 HB2 ASP 87 -16.314 9.337 27.837 487 HB3 ASP 87 HB3 ASP 87 -15.391 10.192 29.075 488 H VAL 88 H VAL 88 -11.854 9.004 26.761 489 HA VAL 88 HA VAL 88 -10.404 10.888 28.380 490 HB VAL 88 HB VAL 88 -9.290 9.288 26.044 491 HG11 VAL 88 HG11 VAL 88 -8.027 10.342 28.623 492 HG12 VAL 88 HG12 VAL 88 -7.210 9.392 27.363 493 HG13 VAL 88 HG13 VAL 88 -7.770 11.022 27.002 494 HG21 VAL 88 HG21 VAL 88 -10.425 7.702 27.502 495 HG22 VAL 88 HG22 VAL 88 -8.689 7.566 27.709 496 HG23 VAL 88 HG23 VAL 88 -9.654 8.416 28.942 497 H LYS 89 H LYS 89 -11.615 12.866 27.628 498 HA LYS 89 HA LYS 89 -10.385 14.150 25.260 499 HB2 LYS 89 HB2 LYS 89 -12.584 13.328 24.868 500 HB3 LYS 89 HB3 LYS 89 -13.136 13.782 26.488 501 HG2 LYS 89 HG3 LYS 89 -12.978 16.183 25.828 502 HG3 LYS 89 HG2 LYS 89 -12.662 15.644 24.163 503 HD2 LYS 89 HD3 LYS 89 -15.039 14.821 25.889 504 HD3 LYS 89 HD2 LYS 89 -14.968 16.074 24.674 505 HE2 LYS 89 HE2 LYS 89 -15.028 14.658 22.874 506 HE3 LYS 89 HE3 LYS 89 -14.205 13.354 23.738 507 HZ1 LYS 89 HZ1 LYS 89 -16.570 12.873 23.346 508 HZ2 LYS 89 HZ2 LYS 89 -16.178 12.842 24.930 509 HZ3 LYS 89 HZ3 LYS 89 -17.005 14.125 24.306 510 H CYS 90 H CYS 90 -10.062 16.354 25.352 511 HA CYS 90 HA CYS 90 -8.879 17.250 27.731 512 HB2 CYS 90 HB3 CYS 90 -8.295 17.822 25.307 513 HB3 CYS 90 HB2 CYS 90 -9.666 18.777 25.245 514 H ASP 91 H ASP 91 -9.203 19.358 28.693 515 HA ASP 91 HA ASP 91 -12.050 20.156 29.172 516 HB2 ASP 91 HB2 ASP 91 -9.770 19.884 31.179 517 HB3 ASP 91 HB3 ASP 91 -11.257 20.761 31.524 518 H ILE 92 H ILE 92 -9.330 21.108 27.707 519 HA ILE 92 HA ILE 92 -9.611 24.023 28.338 520 HB ILE 92 HB ILE 92 -7.469 22.519 26.834 521 HG12 ILE 92 HG12 ILE 92 -7.509 23.574 29.681 522 HG13 ILE 92 HG13 ILE 92 -7.337 21.903 29.144 523 HG21 ILE 92 HG21 ILE 92 -6.219 24.682 26.885 524 HG22 ILE 92 HG22 ILE 92 -7.692 24.757 25.950 525 HG23 ILE 92 HG23 ILE 92 -7.654 25.460 27.595 526 HD11 ILE 92 HD11 ILE 92 -5.183 22.620 29.858 527 HD12 ILE 92 HD12 ILE 92 -5.138 22.506 28.087 528 HD13 ILE 92 HD13 ILE 92 -5.256 24.096 28.881 529 H CYS 93 H CYS 93 -9.108 21.739 25.490 530 HA CYS 93 HA CYS 93 -10.504 23.725 23.823 531 HB2 CYS 93 HB3 CYS 93 -9.171 22.797 22.084 532 HB3 CYS 93 HB2 CYS 93 -8.124 23.059 23.422 533 H HIS 94 H HIS 94 -11.176 20.971 25.534 534 HA HIS 94 HA HIS 94 -12.750 19.416 25.630 535 HB2 HIS 94 HB3 HIS 94 -14.081 21.547 25.498 536 HB3 HIS 94 HB2 HIS 94 -14.425 21.151 23.815 537 HD1 HIS 94 HD1 HIS 94 -16.817 20.135 23.713 538 HD2 HIS 94 HD2 HIS 94 -14.635 19.040 27.143 539 HE1 HIS 94 HE1 HIS 94 -18.327 18.576 25.053 540 H TYR 95 H TYR 95 -10.914 19.338 23.044 541 HA TYR 95 HA TYR 95 -12.521 17.425 21.449 542 HB2 TYR 95 HB2 TYR 95 -9.681 18.428 21.102 543 HB3 TYR 95 HB3 TYR 95 -10.483 17.350 19.987 544 HD1 TYR 95 HD2 TYR 95 -12.848 18.187 19.031 545 HD2 TYR 95 HD1 TYR 95 -9.739 20.633 20.680 546 HE1 TYR 95 HE2 TYR 95 -13.825 20.167 17.868 547 HE2 TYR 95 HE1 TYR 95 -10.723 22.663 19.531 548 HH TYR 95 HH TYR 95 -13.660 22.425 17.483 549 HA PRO 96 HA PRO 96 -10.938 13.719 23.368 550 HB2 PRO 96 HB3 PRO 96 -10.499 12.836 20.500 551 HB3 PRO 96 HB2 PRO 96 -11.224 11.905 21.849 552 HG2 PRO 96 HG3 PRO 96 -12.787 13.100 19.960 553 HG3 PRO 96 HG2 PRO 96 -13.260 13.109 21.686 554 HD2 PRO 96 HD3 PRO 96 -12.093 15.353 20.068 555 HD3 PRO 96 HD2 PRO 96 -13.266 15.401 21.392 556 H ILE 97 H ILE 97 -9.073 12.789 23.947 557 HA ILE 97 HA ILE 97 -6.607 14.211 23.117 558 HB ILE 97 HB ILE 97 -7.709 13.034 25.624 559 HG12 ILE 97 HG12 ILE 97 -7.996 15.482 24.676 560 HG13 ILE 97 HG13 ILE 97 -7.812 15.276 26.379 561 HG21 ILE 97 HG21 ILE 97 -5.721 13.366 26.872 562 HG22 ILE 97 HG22 ILE 97 -5.580 12.046 25.711 563 HG23 ILE 97 HG23 ILE 97 -4.790 13.595 25.374 564 HD11 ILE 97 HD11 ILE 97 -5.622 15.879 24.433 565 HD12 ILE 97 HD12 ILE 97 -6.405 17.054 25.507 566 HD13 ILE 97 HD13 ILE 97 -5.392 15.776 26.195 567 H GLN 98 H GLN 98 -5.144 13.226 22.006 568 HA GLN 98 HA GLN 98 -5.005 10.221 22.044 569 HB2 GLN 98 HB2 GLN 98 -4.289 10.251 19.750 570 HB3 GLN 98 HB3 GLN 98 -5.901 10.920 19.969 571 HG2 GLN 98 HG2 GLN 98 -5.053 13.202 19.667 572 HG3 GLN 98 HG3 GLN 98 -3.392 12.607 19.548 573 HE21 GLN 98 HE22 GLN 98 -2.909 11.074 17.701 574 HE22 GLN 98 HE21 GLN 98 -3.816 11.318 16.213 575 H PHE 99 H PHE 99 -3.351 9.290 22.764 576 HA PHE 99 HA PHE 99 -0.993 10.566 23.722 577 HB2 PHE 99 HB2 PHE 99 -1.545 7.614 23.228 578 HB3 PHE 99 HB3 PHE 99 -0.340 8.282 24.318 579 HD1 PHE 99 HD1 PHE 99 -1.078 9.629 26.349 580 HD2 PHE 99 HD2 PHE 99 -3.825 7.304 23.964 581 HE1 PHE 99 HE1 PHE 99 -2.787 9.806 28.134 582 HE2 PHE 99 HE2 PHE 99 -5.532 7.492 25.751 583 HZ PHE 99 HZ PHE 99 -5.029 8.770 27.815 584 H LYS 100 H LYS 100 1.201 9.468 23.274 585 HA LYS 100 HA LYS 100 1.817 9.333 20.352 586 HB2 LYS 100 HB2 LYS 100 2.349 11.549 21.152 587 HB3 LYS 100 HB3 LYS 100 3.168 10.910 22.572 588 HG2 LYS 100 HG2 LYS 100 4.781 11.778 21.013 589 HG3 LYS 100 HG3 LYS 100 4.987 10.041 21.189 590 HD2 LYS 100 HD2 LYS 100 3.726 9.742 19.006 591 HD3 LYS 100 HD3 LYS 100 3.690 11.499 18.833 592 HE2 LYS 100 HE2 LYS 100 5.979 11.658 18.448 593 HE3 LYS 100 HE3 LYS 100 6.351 10.231 19.423 594 HZ1 LYS 100 HZ1 LYS 100 5.073 10.069 16.753 595 HZ2 LYS 100 HZ2 LYS 100 6.663 9.819 17.042 596 HZ3 LYS 100 HZ3 LYS 100 5.563 8.807 17.697 597 H THR 101 H THR 101 3.479 8.074 19.744 598 HA THR 101 HA THR 101 4.927 6.260 21.586 599 HB THR 101 HB THR 101 3.389 5.297 19.138 600 HG1 THR 101 HG1 THR 101 2.032 4.303 20.627 601 HG21 THR 101 HG21 THR 101 3.909 3.034 20.055 602 HG22 THR 101 HG22 THR 101 5.372 3.919 19.615 603 HG23 THR 101 HG23 THR 101 4.902 3.789 21.324 Start of MODEL 10 1 H1 VAL 19 H1 VAL 19 31.384 22.739 11.412 2 H2 VAL 19 H2 VAL 19 30.327 22.432 12.632 3 H3 VAL 19 H3 VAL 19 30.348 21.479 11.309 4 HA VAL 19 HA VAL 19 32.530 20.652 11.812 5 HB VAL 19 HB VAL 19 33.563 21.134 13.998 6 HG11 VAL 19 HG11 VAL 19 34.589 23.227 13.378 7 HG12 VAL 19 HG12 VAL 19 34.325 22.256 11.922 8 HG13 VAL 19 HG13 VAL 19 33.257 23.637 12.287 9 HG21 VAL 19 HG21 VAL 19 33.007 23.114 15.287 10 HG22 VAL 19 HG22 VAL 19 31.644 23.499 14.227 11 HG23 VAL 19 HG23 VAL 19 31.606 22.041 15.250 12 H ALA 20 H ALA 20 32.868 18.773 13.128 13 HA ALA 20 HA ALA 20 30.616 17.905 14.859 14 HB1 ALA 20 HB1 ALA 20 30.106 17.206 12.535 15 HB2 ALA 20 HB2 ALA 20 31.676 16.376 12.439 16 HB3 ALA 20 HB3 ALA 20 30.432 15.813 13.578 17 H ASN 21 H ASN 21 33.169 18.779 15.669 18 HA ASN 21 HA ASN 21 35.168 16.838 16.032 19 HB2 ASN 21 HB2 ASN 21 35.412 19.273 16.411 20 HB3 ASN 21 HB3 ASN 21 34.345 19.172 17.813 21 HD21 ASN 21 HD22 ASN 21 35.332 18.852 19.788 22 HD22 ASN 21 HD21 ASN 21 36.993 18.291 19.961 23 H GLU 22 H GLU 22 35.634 15.272 17.538 24 HA GLU 22 HA GLU 22 33.516 13.943 18.885 25 HB2 GLU 22 HB2 GLU 22 35.198 12.441 19.719 26 HB3 GLU 22 HB3 GLU 22 35.493 12.813 18.020 27 HG2 GLU 22 HG3 GLU 22 37.228 14.498 18.755 28 HG3 GLU 22 HG2 GLU 22 36.987 13.954 20.418 29 H GLU 23 H GLU 23 33.203 13.488 21.126 30 HA GLU 23 HA GLU 23 32.641 13.956 23.160 31 HB2 GLU 23 HB3 GLU 23 35.427 15.078 23.236 32 HB3 GLU 23 HB2 GLU 23 34.416 14.858 24.675 33 HG2 GLU 23 HG2 GLU 23 34.217 12.419 24.090 34 HG3 GLU 23 HG3 GLU 23 35.376 12.672 22.782 35 H THR 24 H THR 24 33.425 16.913 21.414 36 HA THR 24 HA THR 24 31.949 18.572 23.354 37 HB THR 24 HB THR 24 32.758 20.425 21.972 38 HG1 THR 24 HG1 THR 24 32.851 19.519 19.957 39 HG21 THR 24 HG21 THR 24 35.014 18.463 22.555 40 HG22 THR 24 HG22 THR 24 35.138 20.229 22.412 41 HG23 THR 24 HG23 THR 24 34.232 19.512 23.759 42 H ASP 25 H ASP 25 30.712 16.544 21.362 43 HA ASP 25 HA ASP 25 28.430 18.226 20.521 44 HB2 ASP 25 HB2 ASP 25 30.013 18.209 18.591 45 HB3 ASP 25 HB3 ASP 25 29.989 16.444 18.600 46 H THR 26 H THR 26 26.506 17.014 20.106 47 HA THR 26 HA THR 26 26.445 14.125 20.836 48 HB THR 26 HB THR 26 24.604 16.194 22.107 49 HG1 THR 26 HG1 THR 26 26.679 16.320 22.984 50 HG21 THR 26 HG21 THR 26 24.981 13.207 22.616 51 HG22 THR 26 HG22 THR 26 24.005 14.301 23.620 52 HG23 THR 26 HG23 THR 26 23.534 13.997 21.948 53 H ALA 27 H ALA 27 24.967 12.979 19.652 54 HA ALA 27 HA ALA 27 23.571 14.312 17.459 55 HB1 ALA 27 HB1 ALA 27 23.830 11.373 18.242 56 HB2 ALA 27 HB2 ALA 27 23.225 11.998 16.694 57 HB3 ALA 27 HB3 ALA 27 24.918 12.253 17.142 58 H THR 28 H THR 28 21.418 13.430 16.875 59 HA THR 28 HA THR 28 19.492 12.771 18.989 60 HB THR 28 HB THR 28 17.894 14.559 18.220 61 HG1 THR 28 HG1 THR 28 18.817 16.415 17.299 62 HG21 THR 28 HG21 THR 28 20.376 15.702 19.558 63 HG22 THR 28 HG22 THR 28 18.709 16.307 19.664 64 HG23 THR 28 HG23 THR 28 19.125 14.744 20.383 65 H PHE 29 H PHE 29 17.593 11.889 18.191 66 HA PHE 29 HA PHE 29 17.265 11.474 15.293 67 HB2 PHE 29 HB2 PHE 29 17.382 9.175 17.290 68 HB3 PHE 29 HB3 PHE 29 17.169 9.048 15.561 69 HD1 PHE 29 HD2 PHE 29 19.108 9.522 14.003 70 HD2 PHE 29 HD1 PHE 29 19.570 9.374 18.288 71 HE1 PHE 29 HE2 PHE 29 21.569 9.298 13.732 72 HE2 PHE 29 HE1 PHE 29 22.032 9.155 18.014 73 HZ PHE 29 HZ PHE 29 23.033 9.119 15.736 74 H ASN 30 H ASN 30 15.847 12.135 18.189 75 HA ASN 30 HA ASN 30 13.097 11.492 17.196 76 HB2 ASN 30 HB2 ASN 30 14.263 10.963 19.964 77 HB3 ASN 30 HB3 ASN 30 12.553 10.852 19.579 78 HD21 ASN 30 HD22 ASN 30 15.653 9.253 19.270 79 HD22 ASN 30 HD21 ASN 30 14.983 7.770 18.571 80 H ASP 31 H ASP 31 14.780 14.055 17.379 81 HA ASP 31 HA ASP 31 13.524 15.753 19.340 82 HB2 ASP 31 HB2 ASP 31 15.857 15.945 18.438 83 HB3 ASP 31 HB3 ASP 31 15.185 16.470 16.895 84 H ASP 32 H ASP 32 11.561 14.539 17.886 85 HA ASP 32 HA ASP 32 10.328 15.884 15.759 86 HB2 ASP 32 HB2 ASP 32 10.041 13.525 16.701 87 HB3 ASP 32 HB3 ASP 32 8.978 14.233 17.917 88 H ALA 33 H ALA 33 10.834 17.732 18.098 89 HA ALA 33 HA ALA 33 8.192 19.118 18.165 90 HB1 ALA 33 HB1 ALA 33 8.610 19.662 20.534 91 HB2 ALA 33 HB2 ALA 33 8.544 17.901 20.288 92 HB3 ALA 33 HB3 ALA 33 10.113 18.731 20.481 93 HA PRO 34 HA PRO 34 10.155 22.921 17.014 94 HB2 PRO 34 HB3 PRO 34 8.683 24.070 19.368 95 HB3 PRO 34 HB2 PRO 34 8.764 24.676 17.696 96 HG2 PRO 34 HG3 PRO 34 6.598 23.317 18.755 97 HG3 PRO 34 HG2 PRO 34 7.058 23.161 17.070 98 HD2 PRO 34 HD3 PRO 34 7.466 21.175 19.248 99 HD3 PRO 34 HD2 PRO 34 7.338 20.947 17.492 100 H SER 35 H SER 35 11.634 24.430 17.623 101 HA SER 35 HA SER 35 13.529 23.898 19.663 102 HB2 SER 35 HB2 SER 35 13.103 26.517 18.176 103 HB3 SER 35 HB3 SER 35 14.587 26.000 19.001 104 HG SER 35 HG SER 35 14.674 25.610 16.737 105 H GLY 36 H GLY 36 10.572 25.520 19.937 106 HA2 GLY 36 HA2 GLY 36 11.233 26.642 22.645 107 HA3 GLY 36 HA3 GLY 36 10.165 27.466 21.505 108 H ALA 37 H ALA 37 9.802 24.072 21.442 109 HA ALA 37 HA ALA 37 7.103 24.221 22.588 110 HB1 ALA 37 HB1 ALA 37 7.354 22.814 20.730 111 HB2 ALA 37 HB2 ALA 37 8.713 21.915 21.462 112 HB3 ALA 37 HB3 ALA 37 7.061 21.766 22.111 113 H THR 38 H THR 38 6.481 23.621 24.573 114 HA THR 38 HA THR 38 8.189 22.059 26.377 115 HB THR 38 HB THR 38 7.814 23.578 28.277 116 HG1 THR 38 HG1 THR 38 7.175 25.580 26.408 117 HG21 THR 38 HG21 THR 38 9.930 23.677 26.949 118 HG22 THR 38 HG22 THR 38 9.266 25.038 26.039 119 HG23 THR 38 HG23 THR 38 9.523 25.181 27.796 120 H CYS 39 H CYS 39 7.072 21.150 28.161 121 HA CYS 39 HA CYS 39 4.413 20.226 27.610 122 HB2 CYS 39 HB3 CYS 39 5.908 18.848 28.760 123 HB3 CYS 39 HB2 CYS 39 6.361 19.974 29.932 124 H ARG 40 H ARG 40 2.469 21.099 28.033 125 HA ARG 40 HA ARG 40 2.187 23.630 29.416 126 HB2 ARG 40 HB3 ARG 40 -0.077 23.508 28.791 127 HB3 ARG 40 HB2 ARG 40 0.853 22.796 27.484 128 HG2 ARG 40 HG3 ARG 40 -0.439 20.992 27.526 129 HG3 ARG 40 HG2 ARG 40 0.142 20.580 29.123 130 HD2 ARG 40 HD2 ARG 40 -1.652 21.800 30.194 131 HD3 ARG 40 HD3 ARG 40 -2.120 22.576 28.692 132 HE ARG 40 HE ARG 40 -2.953 19.966 29.617 133 HH11 ARG 40 HH22 ARG 40 -2.391 21.741 26.617 134 HH12 ARG 40 HH21 ARG 40 -3.839 21.092 25.892 135 HH21 ARG 40 HH12 ARG 40 -4.687 19.047 28.484 136 HH22 ARG 40 HH11 ARG 40 -5.003 19.581 26.860 137 H ILE 41 H ILE 41 2.665 20.636 30.704 138 HA ILE 41 HA ILE 41 1.025 21.146 33.154 139 HB ILE 41 HB ILE 41 2.317 18.602 32.147 140 HG12 ILE 41 HG12 ILE 41 -0.624 19.237 32.649 141 HG13 ILE 41 HG13 ILE 41 0.123 19.452 31.078 142 HG21 ILE 41 HG21 ILE 41 0.764 19.033 34.728 143 HG22 ILE 41 HG22 ILE 41 1.312 17.465 34.095 144 HG23 ILE 41 HG23 ILE 41 2.495 18.646 34.596 145 HD11 ILE 41 HD11 ILE 41 -1.099 17.324 31.277 146 HD12 ILE 41 HD12 ILE 41 0.606 17.120 30.832 147 HD13 ILE 41 HD13 ILE 41 0.060 16.768 32.486 148 H CYS 42 H CYS 42 4.471 20.302 32.125 149 HA CYS 42 HA CYS 42 5.217 21.500 34.798 150 HB2 CYS 42 HB2 CYS 42 6.873 19.864 35.094 151 HB3 CYS 42 HB3 CYS 42 5.352 19.042 34.730 152 H ARG 43 H ARG 43 5.359 22.365 31.691 153 HA ARG 43 HA ARG 43 6.673 23.557 30.383 154 HB2 ARG 43 HB3 ARG 43 6.899 24.995 33.025 155 HB3 ARG 43 HB2 ARG 43 7.625 25.670 31.571 156 HG2 ARG 43 HG2 ARG 43 4.676 24.948 31.801 157 HG3 ARG 43 HG3 ARG 43 5.362 26.565 32.011 158 HD2 ARG 43 HD2 ARG 43 6.276 26.463 29.680 159 HD3 ARG 43 HD3 ARG 43 5.493 24.892 29.468 160 HE ARG 43 HE ARG 43 3.728 27.118 30.236 161 HH11 ARG 43 HH12 ARG 43 5.019 25.268 27.540 162 HH12 ARG 43 HH11 ARG 43 3.577 25.496 26.581 163 HH21 ARG 43 HH22 ARG 43 2.133 27.707 28.797 164 HH22 ARG 43 HH21 ARG 43 2.247 27.210 27.137 165 H GLY 44 H GLY 44 7.934 21.223 31.010 166 HA2 GLY 44 HA2 GLY 44 10.824 22.031 30.712 167 HA3 GLY 44 HA3 GLY 44 10.294 20.363 30.843 168 H GLU 45 H GLU 45 11.903 21.606 28.915 169 HA GLU 45 HA GLU 45 10.584 21.792 26.371 170 HB2 GLU 45 HB3 GLU 45 13.333 21.547 27.659 171 HB3 GLU 45 HB2 GLU 45 13.172 21.329 26.002 172 HG2 GLU 45 HG2 GLU 45 12.185 23.614 25.732 173 HG3 GLU 45 HG3 GLU 45 12.268 23.819 27.486 174 H ALA 46 H ALA 46 11.233 20.478 24.649 175 HA ALA 46 HA ALA 46 10.807 17.602 25.061 176 HB1 ALA 46 HB1 ALA 46 11.530 19.267 22.606 177 HB2 ALA 46 HB2 ALA 46 11.406 17.500 22.563 178 HB3 ALA 46 HB3 ALA 46 9.984 18.451 22.967 179 H THR 47 H THR 47 12.183 15.985 24.708 180 HA THR 47 HA THR 47 15.088 16.491 24.201 181 HB THR 47 HB THR 47 15.970 15.158 25.899 182 HG1 THR 47 HG1 THR 47 14.651 14.125 27.437 183 HG21 THR 47 HG21 THR 47 15.393 16.211 27.951 184 HG22 THR 47 HG22 THR 47 15.358 17.405 26.636 185 HG23 THR 47 HG23 THR 47 13.825 16.757 27.295 186 H GLU 48 H GLU 48 16.320 14.419 23.942 187 HA GLU 48 HA GLU 48 15.285 12.990 21.775 188 HB2 GLU 48 HB2 GLU 48 17.672 13.429 22.310 189 HB3 GLU 48 HB3 GLU 48 17.537 12.382 23.722 190 HG2 GLU 48 HG2 GLU 48 18.761 11.339 21.848 191 HG3 GLU 48 HG3 GLU 48 17.363 10.409 22.360 192 H ASP 49 H ASP 49 14.908 12.356 25.115 193 HA ASP 49 HA ASP 49 13.791 9.593 24.628 194 HB2 ASP 49 HB2 ASP 49 15.920 9.679 25.926 195 HB3 ASP 49 HB3 ASP 49 15.121 10.689 27.131 196 H ASN 50 H ASN 50 13.165 12.787 25.913 197 HA ASN 50 HA ASN 50 10.392 12.029 26.479 198 HB2 ASN 50 HB2 ASN 50 11.533 11.904 28.640 199 HB3 ASN 50 HB3 ASN 50 12.453 13.380 28.304 200 HD21 ASN 50 HD22 ASN 50 8.979 12.629 28.516 201 HD22 ASN 50 HD21 ASN 50 8.885 14.165 29.399 202 HA PRO 51 HA PRO 51 10.656 15.693 23.717 203 HB2 PRO 51 HB3 PRO 51 9.472 14.639 21.523 204 HB3 PRO 51 HB2 PRO 51 11.130 14.148 21.942 205 HG2 PRO 51 HG3 PRO 51 8.547 12.764 22.831 206 HG3 PRO 51 HG2 PRO 51 9.888 12.109 21.880 207 HD2 PRO 51 HD3 PRO 51 9.931 11.727 24.508 208 HD3 PRO 51 HD2 PRO 51 11.415 12.189 23.675 209 H LEU 52 H LEU 52 8.599 16.192 22.249 210 HA LEU 52 HA LEU 52 6.091 16.106 23.875 211 HB2 LEU 52 HB2 LEU 52 7.339 18.549 22.582 212 HB3 LEU 52 HB3 LEU 52 5.789 18.514 23.405 213 HG LEU 52 HG LEU 52 8.283 17.715 24.917 214 HD11 LEU 52 HD11 LEU 52 7.228 20.515 24.627 215 HD12 LEU 52 HD12 LEU 52 8.580 19.940 25.664 216 HD13 LEU 52 HD13 LEU 52 8.743 19.890 23.912 217 HD21 LEU 52 HD21 LEU 52 7.011 18.620 26.814 218 HD22 LEU 52 HD22 LEU 52 5.623 18.895 25.742 219 HD23 LEU 52 HD23 LEU 52 6.255 17.242 26.019 220 H PHE 53 H PHE 53 4.217 16.526 22.832 221 HA PHE 53 HA PHE 53 3.934 16.621 19.923 222 HB2 PHE 53 HB2 PHE 53 2.737 14.543 19.741 223 HB3 PHE 53 HB3 PHE 53 4.275 14.168 20.492 224 HD1 PHE 53 HD2 PHE 53 4.327 14.010 23.114 225 HD2 PHE 53 HD1 PHE 53 0.698 13.848 20.776 226 HE1 PHE 53 HE2 PHE 53 3.095 13.172 25.071 227 HE2 PHE 53 HE1 PHE 53 -0.504 12.919 22.735 228 HZ PHE 53 HZ PHE 53 0.684 12.632 24.907 229 H HIS 54 H HIS 54 1.320 16.356 19.621 230 HA HIS 54 HA HIS 54 -0.031 17.759 21.847 231 HB2 HIS 54 HB2 HIS 54 -1.263 19.150 20.232 232 HB3 HIS 54 HB3 HIS 54 0.444 19.514 20.473 233 HD1 HIS 54 HD1 HIS 54 2.133 18.895 18.387 234 HD2 HIS 54 HD2 HIS 54 -2.023 18.783 17.729 235 HE1 HIS 54 HE1 HIS 54 1.812 18.973 15.860 236 HA PRO 55 HA PRO 55 -2.753 14.222 20.938 237 HB2 PRO 55 HB3 PRO 55 -4.153 14.245 23.309 238 HB3 PRO 55 HB2 PRO 55 -2.478 13.758 23.325 239 HG2 PRO 55 HG3 PRO 55 -3.617 16.562 23.752 240 HG3 PRO 55 HG2 PRO 55 -2.700 15.652 24.872 241 HD2 PRO 55 HD3 PRO 55 -1.495 17.414 23.232 242 HD3 PRO 55 HD2 PRO 55 -0.699 15.821 23.437 243 H CYS 56 H CYS 56 -3.521 17.500 21.625 244 HA CYS 56 HA CYS 56 -6.407 17.228 21.040 245 HB2 CYS 56 HB3 CYS 56 -5.587 17.270 23.410 246 HB3 CYS 56 HB2 CYS 56 -5.236 18.996 23.109 247 H LYS 57 H LYS 57 -6.956 20.000 21.438 248 HA LYS 57 HA LYS 57 -5.652 21.287 19.058 249 HB2 LYS 57 HB2 LYS 57 -8.516 20.883 19.906 250 HB3 LYS 57 HB3 LYS 57 -8.115 22.192 18.836 251 HG2 LYS 57 HG3 LYS 57 -8.798 20.480 17.416 252 HG3 LYS 57 HG2 LYS 57 -7.055 20.711 17.332 253 HD2 LYS 57 HD2 LYS 57 -6.494 18.632 18.085 254 HD3 LYS 57 HD3 LYS 57 -8.045 18.378 18.868 255 HE2 LYS 57 HE2 LYS 57 -7.959 16.983 16.920 256 HE3 LYS 57 HE3 LYS 57 -9.115 18.277 16.593 257 HZ1 LYS 57 HZ1 LYS 57 -6.298 18.239 15.630 258 HZ2 LYS 57 HZ2 LYS 57 -7.607 17.904 14.717 259 HZ3 LYS 57 HZ3 LYS 57 -7.391 19.410 15.299 260 H CYS 58 H CYS 58 -5.646 21.575 22.166 261 HA CYS 58 HA CYS 58 -6.545 23.889 23.159 262 HB2 CYS 58 HB2 CYS 58 -3.710 23.018 23.751 263 HB3 CYS 58 HB3 CYS 58 -4.913 23.706 24.846 264 H ARG 59 H ARG 59 -4.074 23.819 20.847 265 HA ARG 59 HA ARG 59 -2.875 25.279 19.585 266 HB2 ARG 59 HB2 ARG 59 -5.306 26.817 20.258 267 HB3 ARG 59 HB3 ARG 59 -3.927 27.863 20.011 268 HG2 ARG 59 HG2 ARG 59 -4.970 27.639 17.907 269 HG3 ARG 59 HG3 ARG 59 -3.473 26.693 17.818 270 HD2 ARG 59 HD2 ARG 59 -4.780 24.614 18.250 271 HD3 ARG 59 HD3 ARG 59 -6.246 25.594 18.456 272 HE ARG 59 HE ARG 59 -4.967 25.931 15.849 273 HH11 ARG 59 HH12 ARG 59 -7.271 24.018 17.641 274 HH12 ARG 59 HH11 ARG 59 -8.136 23.519 16.205 275 HH21 ARG 59 HH22 ARG 59 -6.087 25.243 14.039 276 HH22 ARG 59 HH21 ARG 59 -7.451 24.179 14.211 277 H GLY 60 H GLY 60 -1.379 26.962 19.416 278 HA2 GLY 60 HA2 GLY 60 0.470 28.149 20.120 279 HA3 GLY 60 HA3 GLY 60 -0.484 28.638 21.520 280 H SER 61 H SER 61 1.520 28.549 22.773 281 HA SER 61 HA SER 61 3.173 26.266 23.030 282 HB2 SER 61 HB2 SER 61 4.108 27.350 24.955 283 HB3 SER 61 HB3 SER 61 3.702 28.606 23.774 284 HG SER 61 HG SER 61 2.904 29.301 25.721 285 H ILE 62 H ILE 62 -0.035 26.629 24.384 286 HA ILE 62 HA ILE 62 0.490 24.695 26.538 287 HB ILE 62 HB ILE 62 -1.907 24.918 27.058 288 HG12 ILE 62 HG12 ILE 62 -1.975 27.037 24.875 289 HG13 ILE 62 HG13 ILE 62 -2.636 25.397 24.694 290 HG21 ILE 62 HG21 ILE 62 -0.192 26.355 28.095 291 HG22 ILE 62 HG22 ILE 62 -0.431 27.576 26.822 292 HG23 ILE 62 HG23 ILE 62 -1.740 27.185 27.956 293 HD11 ILE 62 HD11 ILE 62 -4.416 26.886 25.179 294 HD12 ILE 62 HD12 ILE 62 -4.167 25.832 26.587 295 HD13 ILE 62 HD13 ILE 62 -3.591 27.524 26.617 296 H LYS 63 H LYS 63 -0.130 24.313 23.191 297 HA LYS 63 HA LYS 63 -1.776 21.886 23.518 298 HB2 LYS 63 HB2 LYS 63 -1.788 21.644 21.243 299 HB3 LYS 63 HB3 LYS 63 -1.741 23.389 21.455 300 HG2 LYS 63 HG2 LYS 63 0.648 23.427 20.830 301 HG3 LYS 63 HG3 LYS 63 0.706 21.675 20.790 302 HD2 LYS 63 HD2 LYS 63 -1.018 21.665 18.978 303 HD3 LYS 63 HD3 LYS 63 -0.957 23.440 18.951 304 HE2 LYS 63 HE2 LYS 63 1.419 23.388 18.354 305 HE3 LYS 63 HE3 LYS 63 1.466 21.629 18.538 306 HZ1 LYS 63 HZ1 LYS 63 1.244 22.290 16.202 307 HZ2 LYS 63 HZ2 LYS 63 -0.064 21.431 16.666 308 HZ3 LYS 63 HZ3 LYS 63 -0.162 23.058 16.500 309 H TYR 64 H TYR 64 1.553 22.443 23.886 310 HA TYR 64 HA TYR 64 2.366 19.714 23.176 311 HB2 TYR 64 HB2 TYR 64 3.854 22.198 24.005 312 HB3 TYR 64 HB3 TYR 64 4.640 20.618 24.002 313 HD1 TYR 64 HD2 TYR 64 4.401 19.167 21.861 314 HD2 TYR 64 HD1 TYR 64 3.714 23.422 21.939 315 HE1 TYR 64 HE2 TYR 64 4.707 19.238 19.414 316 HE2 TYR 64 HE1 TYR 64 3.976 23.500 19.471 317 HH TYR 64 HH TYR 64 4.319 22.286 17.539 318 H MET 65 H MET 65 3.128 18.152 24.526 319 HA MET 65 HA MET 65 2.970 18.389 27.466 320 HB2 MET 65 HB2 MET 65 1.173 16.488 25.867 321 HB3 MET 65 HB3 MET 65 1.312 16.558 27.624 322 HG2 MET 65 HG2 MET 65 0.307 18.804 27.615 323 HG3 MET 65 HG3 MET 65 0.197 18.757 25.850 324 HE1 MET 65 HE1 MET 65 -0.814 16.352 28.859 325 HE2 MET 65 HE2 MET 65 -1.482 17.974 29.157 326 HE3 MET 65 HE3 MET 65 -2.573 16.618 28.807 327 H HIS 66 H HIS 66 4.245 16.736 28.444 328 HA HIS 66 HA HIS 66 5.807 14.987 26.642 329 HB2 HIS 66 HB2 HIS 66 5.603 14.936 29.670 330 HB3 HIS 66 HB3 HIS 66 6.768 14.086 28.694 331 HD2 HIS 66 HD2 HIS 66 8.493 15.974 27.189 332 HE1 HIS 66 HE1 HIS 66 8.447 18.731 30.395 333 HE2 HIS 66 HE2 HIS 66 9.719 17.981 28.303 334 H GLU 67 H GLU 67 5.672 12.613 26.704 335 HA GLU 67 HA GLU 67 3.026 11.574 26.569 336 HB2 GLU 67 HB2 GLU 67 5.035 10.618 25.459 337 HB3 GLU 67 HB3 GLU 67 5.617 10.043 27.028 338 HG2 GLU 67 HG2 GLU 67 3.589 8.624 27.254 339 HG3 GLU 67 HG3 GLU 67 2.972 9.248 25.723 340 H SER 68 H SER 68 5.392 11.300 29.243 341 HA SER 68 HA SER 68 3.714 9.795 31.024 342 HB2 SER 68 HB2 SER 68 5.999 11.742 31.603 343 HB3 SER 68 HB3 SER 68 5.332 10.564 32.754 344 HG SER 68 HG SER 68 6.047 8.896 31.390 345 H CYS 69 H CYS 69 4.177 13.371 30.669 346 HA CYS 69 HA CYS 69 2.554 14.107 32.882 347 HB2 CYS 69 HB2 CYS 69 3.305 15.566 30.320 348 HB3 CYS 69 HB3 CYS 69 2.501 16.313 31.710 349 H LEU 70 H LEU 70 1.659 13.557 29.416 350 HA LEU 70 HA LEU 70 -1.115 14.266 29.766 351 HB2 LEU 70 HB2 LEU 70 -0.218 14.060 27.467 352 HB3 LEU 70 HB3 LEU 70 0.237 12.377 27.785 353 HG LEU 70 HG LEU 70 -2.227 11.842 27.996 354 HD11 LEU 70 HD11 LEU 70 -2.989 14.111 28.696 355 HD12 LEU 70 HD12 LEU 70 -2.532 14.734 27.088 356 HD13 LEU 70 HD13 LEU 70 -3.839 13.549 27.270 357 HD21 LEU 70 HD21 LEU 70 -1.452 13.272 25.441 358 HD22 LEU 70 HD22 LEU 70 -1.035 11.589 25.872 359 HD23 LEU 70 HD23 LEU 70 -2.726 12.041 25.629 360 H LEU 71 H LEU 71 0.637 11.138 29.943 361 HA LEU 71 HA LEU 71 -1.581 9.516 30.448 362 HB2 LEU 71 HB2 LEU 71 1.376 9.324 31.027 363 HB3 LEU 71 HB3 LEU 71 0.339 8.079 31.660 364 HG LEU 71 HG LEU 71 0.438 8.837 28.702 365 HD11 LEU 71 HD11 LEU 71 1.780 6.525 30.173 366 HD12 LEU 71 HD12 LEU 71 1.784 6.798 28.415 367 HD13 LEU 71 HD13 LEU 71 2.607 7.941 29.486 368 HD21 LEU 71 HD21 LEU 71 -1.663 7.693 29.310 369 HD22 LEU 71 HD22 LEU 71 -0.625 6.620 28.371 370 HD23 LEU 71 HD23 LEU 71 -0.744 6.416 30.133 371 H GLU 72 H GLU 72 0.087 11.588 32.719 372 HA GLU 72 HA GLU 72 -1.313 10.493 35.096 373 HB2 GLU 72 HB2 GLU 72 0.421 12.956 34.696 374 HB3 GLU 72 HB3 GLU 72 -0.222 12.420 36.244 375 HG2 GLU 72 HG2 GLU 72 1.628 10.703 34.529 376 HG3 GLU 72 HG3 GLU 72 2.216 11.848 35.716 377 H TRP 73 H TRP 73 -1.495 13.356 32.946 378 HA TRP 73 HA TRP 73 -3.457 14.816 34.433 379 HB2 TRP 73 HB2 TRP 73 -1.949 15.686 32.699 380 HB3 TRP 73 HB3 TRP 73 -2.820 14.778 31.471 381 HD1 TRP 73 HD1 TRP 73 -3.343 17.710 33.930 382 HE1 TRP 73 HE1 TRP 73 -5.077 19.330 32.943 383 HE3 TRP 73 HE3 TRP 73 -4.795 14.962 29.877 384 HZ2 TRP 73 HZ2 TRP 73 -6.612 19.565 30.495 385 HZ3 TRP 73 HZ3 TRP 73 -6.404 15.882 28.250 386 HH2 TRP 73 HH2 TRP 73 -7.266 18.209 28.491 387 H VAL 74 H VAL 74 -3.854 12.551 31.636 388 HA VAL 74 HA VAL 74 -6.740 12.626 31.620 389 HB VAL 74 HB VAL 74 -6.663 10.577 30.341 390 HG11 VAL 74 HG11 VAL 74 -5.208 11.302 28.489 391 HG12 VAL 74 HG12 VAL 74 -6.105 12.668 29.182 392 HG13 VAL 74 HG13 VAL 74 -4.390 12.436 29.553 393 HG21 VAL 74 HG21 VAL 74 -3.734 10.358 31.111 394 HG22 VAL 74 HG22 VAL 74 -5.030 9.211 31.475 395 HG23 VAL 74 HG23 VAL 74 -4.503 9.431 29.811 396 H ALA 75 H ALA 75 -4.450 10.905 33.641 397 HA ALA 75 HA ALA 75 -6.365 8.988 34.708 398 HB1 ALA 75 HB1 ALA 75 -3.940 8.550 34.712 399 HB2 ALA 75 HB2 ALA 75 -3.682 9.884 35.854 400 HB3 ALA 75 HB3 ALA 75 -4.626 8.469 36.343 401 H SER 76 H SER 76 -5.285 12.263 35.750 402 HA SER 76 HA SER 76 -6.778 12.198 38.220 403 HB2 SER 76 HB2 SER 76 -6.304 14.458 38.509 404 HB3 SER 76 HB3 SER 76 -4.877 13.763 37.728 405 HG SER 76 HG SER 76 -5.514 15.772 36.807 406 H LYS 77 H LYS 77 -7.899 12.436 35.001 407 HA LYS 77 HA LYS 77 -10.458 13.796 35.601 408 HB2 LYS 77 HB2 LYS 77 -9.749 12.177 33.127 409 HB3 LYS 77 HB3 LYS 77 -10.974 13.425 33.282 410 HG2 LYS 77 HG2 LYS 77 -7.975 13.777 33.207 411 HG3 LYS 77 HG3 LYS 77 -9.093 14.150 31.930 412 HD2 LYS 77 HD2 LYS 77 -10.128 15.918 33.504 413 HD3 LYS 77 HD3 LYS 77 -8.799 15.564 34.624 414 HE2 LYS 77 HE2 LYS 77 -8.074 17.451 33.412 415 HE3 LYS 77 HE3 LYS 77 -7.177 16.079 32.754 416 HZ1 LYS 77 HZ1 LYS 77 -8.893 16.035 30.937 417 HZ2 LYS 77 HZ2 LYS 77 -9.549 17.419 31.533 418 HZ3 LYS 77 HZ3 LYS 77 -8.017 17.414 30.959 419 H ASN 78 H ASN 78 -9.404 10.877 36.591 420 HA ASN 78 HA ASN 78 -10.417 8.999 37.349 421 HB2 ASN 78 HB3 ASN 78 -11.709 10.416 38.642 422 HB3 ASN 78 HB2 ASN 78 -12.679 11.000 37.335 423 HD21 ASN 78 HD22 ASN 78 -14.626 10.319 37.187 424 HD22 ASN 78 HD21 ASN 78 -15.276 8.839 37.899 425 H ILE 79 H ILE 79 -9.696 8.884 34.753 426 HA ILE 79 HA ILE 79 -11.699 7.010 33.577 427 HB ILE 79 HB ILE 79 -10.046 8.769 31.773 428 HG12 ILE 79 HG12 ILE 79 -12.628 9.653 33.126 429 HG13 ILE 79 HG13 ILE 79 -11.054 10.422 33.099 430 HG21 ILE 79 HG21 ILE 79 -11.244 6.799 30.840 431 HG22 ILE 79 HG22 ILE 79 -12.784 7.459 31.445 432 HG23 ILE 79 HG23 ILE 79 -11.858 8.300 30.182 433 HD11 ILE 79 HD11 ILE 79 -11.235 10.886 30.690 434 HD12 ILE 79 HD12 ILE 79 -12.911 10.264 30.723 435 HD13 ILE 79 HD13 ILE 79 -12.466 11.687 31.681 436 H ASP 80 H ASP 80 -10.845 5.269 32.433 437 HA ASP 80 HA ASP 80 -7.894 4.807 32.602 438 HB2 ASP 80 HB3 ASP 80 -9.107 3.614 34.376 439 HB3 ASP 80 HB2 ASP 80 -10.134 2.836 33.171 440 H ILE 81 H ILE 81 -7.131 4.810 30.629 441 HA ILE 81 HA ILE 81 -8.597 4.370 28.216 442 HB ILE 81 HB ILE 81 -6.395 4.381 27.113 443 HG12 ILE 81 HG12 ILE 81 -5.196 4.635 29.914 444 HG13 ILE 81 HG13 ILE 81 -5.067 3.215 28.873 445 HG21 ILE 81 HG21 ILE 81 -5.924 6.697 27.606 446 HG22 ILE 81 HG22 ILE 81 -7.663 6.427 27.675 447 HG23 ILE 81 HG23 ILE 81 -6.727 6.592 29.183 448 HD11 ILE 81 HD11 ILE 81 -3.026 4.468 28.693 449 HD12 ILE 81 HD12 ILE 81 -3.901 4.622 27.154 450 HD13 ILE 81 HD13 ILE 81 -3.892 5.966 28.324 451 H SER 82 H SER 82 -7.230 2.062 30.399 452 HA SER 82 HA SER 82 -6.807 -0.026 28.424 453 HB2 SER 82 HB2 SER 82 -5.622 0.260 30.663 454 HB3 SER 82 HB3 SER 82 -7.101 -0.329 31.434 455 HG SER 82 HG SER 82 -6.861 -2.250 30.116 456 H LYS 83 H LYS 83 -9.671 1.259 29.714 457 HA LYS 83 HA LYS 83 -11.195 -1.305 29.424 458 HB2 LYS 83 HB2 LYS 83 -11.755 1.196 31.077 459 HB3 LYS 83 HB3 LYS 83 -12.887 -0.143 30.881 460 HG2 LYS 83 HG3 LYS 83 -11.202 -1.705 31.865 461 HG3 LYS 83 HG2 LYS 83 -10.109 -0.333 32.127 462 HD2 LYS 83 HD2 LYS 83 -11.837 0.749 33.566 463 HD3 LYS 83 HD3 LYS 83 -12.885 -0.671 33.339 464 HE2 LYS 83 HE3 LYS 83 -11.122 -2.120 34.331 465 HE3 LYS 83 HE2 LYS 83 -10.081 -0.707 34.549 466 HZ1 LYS 83 HZ1 LYS 83 -11.755 0.214 36.061 467 HZ2 LYS 83 HZ2 LYS 83 -12.722 -1.089 35.860 468 HZ3 LYS 83 HZ3 LYS 83 -11.274 -1.251 36.592 469 HA PRO 84 HA PRO 84 -13.312 0.591 26.051 470 HB2 PRO 84 HB3 PRO 84 -15.486 -1.030 25.705 471 HB3 PRO 84 HB2 PRO 84 -13.807 -1.626 25.549 472 HG2 PRO 84 HG3 PRO 84 -15.601 -1.769 28.003 473 HG3 PRO 84 HG2 PRO 84 -14.713 -3.115 27.216 474 HD2 PRO 84 HD3 PRO 84 -13.714 -1.727 29.363 475 HD3 PRO 84 HD2 PRO 84 -12.659 -2.391 28.085 476 H GLY 85 H GLY 85 -14.031 1.477 28.852 477 HA2 GLY 85 HA2 GLY 85 -16.621 2.904 28.329 478 HA3 GLY 85 HA3 GLY 85 -15.918 2.607 29.923 479 H ALA 86 H ALA 86 -13.402 3.440 27.849 480 HA ALA 86 HA ALA 86 -12.850 5.907 29.120 481 HB1 ALA 86 HB1 ALA 86 -11.779 4.747 26.511 482 HB2 ALA 86 HB2 ALA 86 -11.023 6.043 27.460 483 HB3 ALA 86 HB3 ALA 86 -11.155 4.412 28.142 484 H ASP 87 H ASP 87 -12.940 8.005 28.490 485 HA ASP 87 HA ASP 87 -14.160 8.913 25.973 486 HB2 ASP 87 HB2 ASP 87 -16.075 8.423 27.535 487 HB3 ASP 87 HB3 ASP 87 -15.400 9.579 28.682 488 H VAL 88 H VAL 88 -11.569 9.056 26.849 489 HA VAL 88 HA VAL 88 -10.863 11.341 28.380 490 HB VAL 88 HB VAL 88 -9.072 9.891 26.405 491 HG11 VAL 88 HG11 VAL 88 -7.315 10.626 27.906 492 HG12 VAL 88 HG12 VAL 88 -8.216 12.056 27.407 493 HG13 VAL 88 HG13 VAL 88 -8.493 11.372 29.015 494 HG21 VAL 88 HG21 VAL 88 -8.373 8.556 28.411 495 HG22 VAL 88 HG22 VAL 88 -9.735 9.236 29.314 496 HG23 VAL 88 HG23 VAL 88 -10.021 8.191 27.901 497 H LYS 89 H LYS 89 -11.587 13.269 27.789 498 HA LYS 89 HA LYS 89 -10.497 14.576 25.377 499 HB2 LYS 89 HB2 LYS 89 -12.464 13.772 24.579 500 HB3 LYS 89 HB3 LYS 89 -13.359 13.949 26.089 501 HG2 LYS 89 HG2 LYS 89 -13.944 16.122 25.696 502 HG3 LYS 89 HG3 LYS 89 -12.554 16.441 24.629 503 HD2 LYS 89 HD3 LYS 89 -13.406 15.196 22.874 504 HD3 LYS 89 HD2 LYS 89 -14.473 14.234 23.830 505 HE2 LYS 89 HE2 LYS 89 -14.950 17.088 22.935 506 HE3 LYS 89 HE3 LYS 89 -15.661 15.618 22.287 507 HZ1 LYS 89 HZ1 LYS 89 -16.083 16.632 25.054 508 HZ2 LYS 89 HZ2 LYS 89 -17.177 16.696 23.847 509 HZ3 LYS 89 HZ3 LYS 89 -16.730 15.251 24.458 510 H CYS 90 H CYS 90 -10.243 16.692 25.493 511 HA CYS 90 HA CYS 90 -9.345 17.755 27.915 512 HB2 CYS 90 HB2 CYS 90 -8.448 17.976 25.681 513 HB3 CYS 90 HB3 CYS 90 -9.810 18.989 25.188 514 H ASP 91 H ASP 91 -9.680 20.092 28.384 515 HA ASP 91 HA ASP 91 -12.530 20.876 28.800 516 HB2 ASP 91 HB2 ASP 91 -10.291 21.007 30.865 517 HB3 ASP 91 HB3 ASP 91 -11.937 21.580 31.098 518 H ILE 92 H ILE 92 -9.565 21.769 27.512 519 HA ILE 92 HA ILE 92 -9.790 24.690 28.074 520 HB ILE 92 HB ILE 92 -7.852 23.183 26.268 521 HG12 ILE 92 HG12 ILE 92 -7.451 24.194 29.131 522 HG13 ILE 92 HG13 ILE 92 -7.615 22.502 28.664 523 HG21 ILE 92 HG21 ILE 92 -8.147 25.570 25.663 524 HG22 ILE 92 HG22 ILE 92 -7.748 26.039 27.332 525 HG23 ILE 92 HG23 ILE 92 -6.540 25.255 26.288 526 HD11 ILE 92 HD11 ILE 92 -5.302 22.887 29.000 527 HD12 ILE 92 HD12 ILE 92 -5.547 22.733 27.248 528 HD13 ILE 92 HD13 ILE 92 -5.302 24.336 27.987 529 H CYS 93 H CYS 93 -9.387 22.733 25.145 530 HA CYS 93 HA CYS 93 -11.135 24.444 23.493 531 HB2 CYS 93 HB2 CYS 93 -9.902 23.247 21.670 532 HB3 CYS 93 HB3 CYS 93 -8.828 24.113 22.779 533 H HIS 94 H HIS 94 -11.192 21.614 25.311 534 HA HIS 94 HA HIS 94 -12.453 19.825 25.554 535 HB2 HIS 94 HB3 HIS 94 -14.504 21.322 23.910 536 HB3 HIS 94 HB2 HIS 94 -14.811 19.877 24.862 537 HD1 HIS 94 HD1 HIS 94 -13.869 23.585 25.449 538 HD2 HIS 94 HD2 HIS 94 -15.139 20.113 27.461 539 HE1 HIS 94 HE1 HIS 94 -14.455 24.310 27.820 540 H TYR 95 H TYR 95 -10.539 19.816 23.212 541 HA TYR 95 HA TYR 95 -11.854 18.013 21.366 542 HB2 TYR 95 HB2 TYR 95 -9.103 19.282 21.418 543 HB3 TYR 95 HB3 TYR 95 -9.275 17.807 20.574 544 HD1 TYR 95 HD2 TYR 95 -10.797 21.130 21.115 545 HD2 TYR 95 HD1 TYR 95 -10.389 17.798 18.471 546 HE1 TYR 95 HE2 TYR 95 -12.063 22.410 19.434 547 HE2 TYR 95 HE1 TYR 95 -11.697 19.058 16.692 548 HH TYR 95 HH TYR 95 -12.779 21.009 16.161 549 HA PRO 96 HA PRO 96 -10.931 14.096 23.244 550 HB2 PRO 96 HB3 PRO 96 -10.544 12.857 20.595 551 HB3 PRO 96 HB2 PRO 96 -11.817 12.550 21.835 552 HG2 PRO 96 HG3 PRO 96 -12.349 13.837 19.456 553 HG3 PRO 96 HG2 PRO 96 -13.212 14.086 21.004 554 HD2 PRO 96 HD3 PRO 96 -11.076 15.777 19.808 555 HD3 PRO 96 HD2 PRO 96 -12.591 16.276 20.606 556 H ILE 97 H ILE 97 -9.208 12.981 23.804 557 HA ILE 97 HA ILE 97 -6.589 14.134 23.051 558 HB ILE 97 HB ILE 97 -7.642 12.461 25.285 559 HG12 ILE 97 HG12 ILE 97 -8.049 15.005 25.130 560 HG13 ILE 97 HG13 ILE 97 -7.463 14.391 26.653 561 HG21 ILE 97 HG21 ILE 97 -5.585 12.450 26.467 562 HG22 ILE 97 HG22 ILE 97 -5.451 11.538 24.974 563 HG23 ILE 97 HG23 ILE 97 -4.731 13.157 25.083 564 HD11 ILE 97 HD11 ILE 97 -5.660 15.565 24.531 565 HD12 ILE 97 HD12 ILE 97 -6.405 16.520 25.830 566 HD13 ILE 97 HD13 ILE 97 -5.240 15.237 26.220 567 H GLN 98 H GLN 98 -5.097 13.217 21.928 568 HA GLN 98 HA GLN 98 -5.310 10.347 21.056 569 HB2 GLN 98 HB3 GLN 98 -4.233 12.791 19.599 570 HB3 GLN 98 HB2 GLN 98 -4.257 11.152 18.953 571 HG2 GLN 98 HG2 GLN 98 -6.614 11.140 18.697 572 HG3 GLN 98 HG3 GLN 98 -6.860 12.495 19.797 573 HE21 GLN 98 HE22 GLN 98 -5.959 14.648 19.144 574 HE22 GLN 98 HE21 GLN 98 -6.004 15.027 17.415 575 H PHE 99 H PHE 99 -3.931 9.197 22.121 576 HA PHE 99 HA PHE 99 -1.457 10.076 23.264 577 HB2 PHE 99 HB2 PHE 99 -2.634 7.305 22.842 578 HB3 PHE 99 HB3 PHE 99 -1.250 7.690 23.854 579 HD1 PHE 99 HD2 PHE 99 -1.500 8.981 25.957 580 HD2 PHE 99 HD1 PHE 99 -4.919 7.838 23.582 581 HE1 PHE 99 HE2 PHE 99 -3.006 9.513 27.858 582 HE2 PHE 99 HE1 PHE 99 -6.419 8.400 25.474 583 HZ PHE 99 HZ PHE 99 -5.467 9.214 27.615 584 H LYS 100 H LYS 100 -0.636 11.011 21.205 585 HA LYS 100 HA LYS 100 0.795 11.138 19.461 586 HB2 LYS 100 HB2 LYS 100 2.069 9.853 21.531 587 HB3 LYS 100 HB3 LYS 100 2.405 8.758 20.217 588 HG2 LYS 100 HG2 LYS 100 2.991 11.752 20.340 589 HG3 LYS 100 HG3 LYS 100 4.164 10.463 20.580 590 HD2 LYS 100 HD2 LYS 100 3.915 9.780 18.213 591 HD3 LYS 100 HD3 LYS 100 2.730 11.092 17.964 592 HE2 LYS 100 HE2 LYS 100 4.443 12.760 18.588 593 HE3 LYS 100 HE3 LYS 100 5.626 11.467 18.835 594 HZ1 LYS 100 HZ1 LYS 100 5.424 10.910 16.482 595 HZ2 LYS 100 HZ2 LYS 100 4.290 12.060 16.245 596 HZ3 LYS 100 HZ3 LYS 100 5.826 12.491 16.629 597 H THR 101 H THR 101 2.215 8.960 18.117 598 HA THR 101 HA THR 101 0.076 7.653 16.504 599 HB THR 101 HB THR 101 1.379 8.289 14.455 600 HG1 THR 101 HG1 THR 101 3.279 8.900 15.580 601 HG21 THR 101 HG21 THR 101 0.267 10.669 16.004 602 HG22 THR 101 HG22 THR 101 0.455 10.527 14.245 603 HG23 THR 101 HG23 THR 101 -0.704 9.489 15.094 Start of MODEL 11 1 H1 VAL 19 H1 VAL 19 -6.213 -4.600 32.348 2 H2 VAL 19 H2 VAL 19 -6.771 -3.106 31.947 3 H3 VAL 19 H3 VAL 19 -5.344 -3.246 32.720 4 HA VAL 19 HA VAL 19 -5.046 -2.726 30.406 5 HB VAL 19 HB VAL 19 -3.551 -4.596 29.721 6 HG11 VAL 19 HG11 VAL 19 -2.785 -2.650 31.039 7 HG12 VAL 19 HG12 VAL 19 -3.087 -3.552 32.543 8 HG13 VAL 19 HG13 VAL 19 -1.867 -4.122 31.390 9 HG21 VAL 19 HG21 VAL 19 -2.946 -6.344 31.294 10 HG22 VAL 19 HG22 VAL 19 -4.189 -5.829 32.442 11 HG23 VAL 19 HG23 VAL 19 -4.648 -6.520 30.865 12 H ALA 20 H ALA 20 -5.714 -2.811 28.490 13 HA ALA 20 HA ALA 20 -8.053 -3.907 27.551 14 HB1 ALA 20 HB1 ALA 20 -6.792 -2.129 26.413 15 HB2 ALA 20 HB2 ALA 20 -5.594 -3.322 25.852 16 HB3 ALA 20 HB3 ALA 20 -7.271 -3.396 25.271 17 H ASN 21 H ASN 21 -8.712 -5.504 26.079 18 HA ASN 21 HA ASN 21 -8.206 -8.109 26.780 19 HB2 ASN 21 HB3 ASN 21 -9.372 -7.028 24.182 20 HB3 ASN 21 HB2 ASN 21 -9.522 -8.692 24.730 21 HD21 ASN 21 HD22 ASN 21 -11.136 -9.211 26.236 22 HD22 ASN 21 HD21 ASN 21 -12.191 -7.989 26.929 23 H GLU 22 H GLU 22 -6.167 -6.426 24.493 24 HA GLU 22 HA GLU 22 -4.644 -8.945 24.058 25 HB2 GLU 22 HB2 GLU 22 -5.592 -7.074 21.857 26 HB3 GLU 22 HB3 GLU 22 -4.199 -8.154 21.683 27 HG2 GLU 22 HG2 GLU 22 -5.615 -10.099 22.261 28 HG3 GLU 22 HG3 GLU 22 -7.036 -9.048 22.318 29 H GLU 23 H GLU 23 -2.609 -8.751 24.436 30 HA GLU 23 HA GLU 23 -1.445 -6.143 25.141 31 HB2 GLU 23 HB2 GLU 23 -1.397 -8.351 26.487 32 HB3 GLU 23 HB3 GLU 23 -0.128 -8.865 25.376 33 HG2 GLU 23 HG3 GLU 23 1.272 -6.942 26.110 34 HG3 GLU 23 HG2 GLU 23 -0.060 -6.340 27.098 35 H THR 24 H THR 24 -1.610 -7.659 22.152 36 HA THR 24 HA THR 24 1.110 -7.494 21.227 37 HB THR 24 HB THR 24 -0.048 -7.953 19.025 38 HG1 THR 24 HG1 THR 24 -2.241 -8.439 19.134 39 HG21 THR 24 HG21 THR 24 -0.701 -10.231 19.611 40 HG22 THR 24 HG22 THR 24 0.748 -9.765 20.523 41 HG23 THR 24 HG23 THR 24 -0.835 -9.789 21.329 42 H ASP 25 H ASP 25 0.234 -5.018 22.326 43 HA ASP 25 HA ASP 25 -0.352 -3.086 20.214 44 HB2 ASP 25 HB2 ASP 25 -1.122 -2.905 22.592 45 HB3 ASP 25 HB3 ASP 25 0.557 -2.691 23.094 46 H THR 26 H THR 26 1.052 -1.175 19.868 47 HA THR 26 HA THR 26 3.967 -1.449 20.169 48 HB THR 26 HB THR 26 4.378 -1.023 17.737 49 HG1 THR 26 HG1 THR 26 2.782 -1.649 16.276 50 HG21 THR 26 HG21 THR 26 3.071 -3.728 18.183 51 HG22 THR 26 HG22 THR 26 4.328 -3.307 17.001 52 HG23 THR 26 HG23 THR 26 4.707 -3.294 18.731 53 H ALA 27 H ALA 27 5.144 0.468 19.612 54 HA ALA 27 HA ALA 27 3.734 2.941 18.906 55 HB1 ALA 27 HB1 ALA 27 5.022 2.527 21.650 56 HB2 ALA 27 HB2 ALA 27 4.466 4.084 21.009 57 HB3 ALA 27 HB3 ALA 27 3.292 2.793 21.333 58 H THR 28 H THR 28 5.208 4.716 18.470 59 HA THR 28 HA THR 28 8.101 4.304 18.588 60 HB THR 28 HB THR 28 7.421 3.085 16.533 61 HG1 THR 28 HG1 THR 28 9.005 4.051 15.288 62 HG21 THR 28 HG21 THR 28 6.714 5.834 15.428 63 HG22 THR 28 HG22 THR 28 6.737 4.293 14.544 64 HG23 THR 28 HG23 THR 28 5.538 4.560 15.820 65 H PHE 29 H PHE 29 9.295 6.171 17.952 66 HA PHE 29 HA PHE 29 8.616 8.560 19.089 67 HB2 PHE 29 HB2 PHE 29 10.423 8.215 16.673 68 HB3 PHE 29 HB3 PHE 29 10.432 9.577 17.783 69 HD1 PHE 29 HD1 PHE 29 11.083 9.207 20.222 70 HD2 PHE 29 HD2 PHE 29 11.634 6.202 17.174 71 HE1 PHE 29 HE1 PHE 29 12.727 8.034 21.671 72 HE2 PHE 29 HE2 PHE 29 13.274 5.032 18.627 73 HZ PHE 29 HZ PHE 29 13.822 5.946 20.875 74 H ASN 30 H ASN 30 6.920 9.814 18.793 75 HA ASN 30 HA ASN 30 5.332 10.033 16.529 76 HB2 ASN 30 HB2 ASN 30 4.115 11.646 17.859 77 HB3 ASN 30 HB3 ASN 30 4.724 10.398 18.930 78 HD21 ASN 30 HD22 ASN 30 5.335 13.738 17.784 79 HD22 ASN 30 HD21 ASN 30 6.146 14.231 19.270 80 H ASP 31 H ASP 31 8.275 11.334 16.441 81 HA ASP 31 HA ASP 31 9.239 12.524 14.729 82 HB2 ASP 31 HB2 ASP 31 7.054 12.890 13.532 83 HB3 ASP 31 HB3 ASP 31 6.830 14.352 14.512 84 H ASP 32 H ASP 32 10.445 14.586 14.712 85 HA ASP 32 HA ASP 32 11.017 15.410 17.408 86 HB2 ASP 32 HB3 ASP 32 12.709 15.079 15.696 87 HB3 ASP 32 HB2 ASP 32 12.056 16.444 14.769 88 H ALA 33 H ALA 33 10.118 16.837 18.518 89 HA ALA 33 HA ALA 33 8.187 18.784 17.908 90 HB1 ALA 33 HB1 ALA 33 8.691 19.473 20.261 91 HB2 ALA 33 HB2 ALA 33 8.622 17.707 20.100 92 HB3 ALA 33 HB3 ALA 33 10.193 18.542 20.190 93 HA PRO 34 HA PRO 34 10.138 22.619 16.597 94 HB2 PRO 34 HB3 PRO 34 8.919 23.729 19.125 95 HB3 PRO 34 HB2 PRO 34 8.891 24.422 17.485 96 HG2 PRO 34 HG3 PRO 34 6.738 23.157 18.641 97 HG3 PRO 34 HG2 PRO 34 7.074 22.947 16.949 98 HD2 PRO 34 HD3 PRO 34 7.676 21.053 19.185 99 HD3 PRO 34 HD2 PRO 34 7.232 20.692 17.496 100 H SER 35 H SER 35 12.114 23.875 17.224 101 HA SER 35 HA SER 35 13.518 22.937 19.483 102 HB2 SER 35 HB2 SER 35 14.123 25.289 17.628 103 HB3 SER 35 HB3 SER 35 15.293 24.428 18.637 104 HG SER 35 HG SER 35 14.972 22.574 17.355 105 H GLY 36 H GLY 36 11.210 23.996 20.375 106 HA2 GLY 36 HA2 GLY 36 12.025 25.741 22.495 107 HA3 GLY 36 HA3 GLY 36 11.026 26.614 21.315 108 H ALA 37 H ALA 37 9.535 23.568 21.040 109 HA ALA 37 HA ALA 37 7.352 24.228 22.501 110 HB1 ALA 37 HB1 ALA 37 8.418 21.626 21.368 111 HB2 ALA 37 HB2 ALA 37 6.796 21.814 22.056 112 HB3 ALA 37 HB3 ALA 37 7.256 22.762 20.636 113 H THR 38 H THR 38 6.609 23.512 24.540 114 HA THR 38 HA THR 38 8.244 21.645 26.128 115 HB THR 38 HB THR 38 8.209 23.040 28.110 116 HG1 THR 38 HG1 THR 38 7.779 25.329 27.771 117 HG21 THR 38 HG21 THR 38 10.126 23.164 26.420 118 HG22 THR 38 HG22 THR 38 9.468 24.726 25.934 119 HG23 THR 38 HG23 THR 38 10.015 24.473 27.610 120 H CYS 39 H CYS 39 7.188 20.648 27.803 121 HA CYS 39 HA CYS 39 4.507 19.958 27.562 122 HB2 CYS 39 HB3 CYS 39 6.109 18.700 28.798 123 HB3 CYS 39 HB2 CYS 39 6.391 19.901 29.958 124 H ARG 40 H ARG 40 2.591 20.816 28.109 125 HA ARG 40 HA ARG 40 2.474 23.538 29.270 126 HB2 ARG 40 HB2 ARG 40 0.308 23.584 28.686 127 HB3 ARG 40 HB3 ARG 40 1.022 22.521 27.497 128 HG2 ARG 40 HG2 ARG 40 -0.539 21.016 27.944 129 HG3 ARG 40 HG3 ARG 40 0.237 20.731 29.482 130 HD2 ARG 40 HD3 ARG 40 -2.146 22.405 28.795 131 HD3 ARG 40 HD2 ARG 40 -1.962 21.162 30.043 132 HE ARG 40 HE ARG 40 -0.393 22.959 31.150 133 HH11 ARG 40 HH12 ARG 40 -3.445 23.695 29.586 134 HH12 ARG 40 HH11 ARG 40 -3.632 25.178 30.482 135 HH21 ARG 40 HH21 ARG 40 -0.691 24.817 32.234 136 HH22 ARG 40 HH22 ARG 40 -2.114 25.785 31.965 137 H ILE 41 H ILE 41 2.519 20.435 30.618 138 HA ILE 41 HA ILE 41 1.410 21.180 33.181 139 HB ILE 41 HB ILE 41 2.665 18.564 32.315 140 HG12 ILE 41 HG12 ILE 41 -0.303 19.184 32.701 141 HG13 ILE 41 HG13 ILE 41 0.468 19.460 31.160 142 HG21 ILE 41 HG21 ILE 41 1.538 17.545 34.230 143 HG22 ILE 41 HG22 ILE 41 2.734 18.720 34.742 144 HG23 ILE 41 HG23 ILE 41 1.006 19.151 34.783 145 HD11 ILE 41 HD11 ILE 41 1.011 17.170 30.833 146 HD12 ILE 41 HD12 ILE 41 0.438 16.741 32.468 147 HD13 ILE 41 HD13 ILE 41 -0.700 17.309 31.234 148 H CYS 42 H CYS 42 4.678 20.330 32.042 149 HA CYS 42 HA CYS 42 5.649 21.667 34.560 150 HB2 CYS 42 HB3 CYS 42 7.394 20.068 34.876 151 HB3 CYS 42 HB2 CYS 42 5.817 19.278 34.826 152 H ARG 43 H ARG 43 5.490 22.371 31.618 153 HA ARG 43 HA ARG 43 6.631 23.750 30.076 154 HB2 ARG 43 HB2 ARG 43 7.397 25.006 32.709 155 HB3 ARG 43 HB3 ARG 43 7.557 25.800 31.147 156 HG2 ARG 43 HG2 ARG 43 4.852 24.743 32.094 157 HG3 ARG 43 HG3 ARG 43 5.490 26.293 32.605 158 HD2 ARG 43 HD2 ARG 43 4.045 26.748 30.835 159 HD3 ARG 43 HD3 ARG 43 5.681 27.014 30.224 160 HE ARG 43 HE ARG 43 4.916 24.364 29.512 161 HH11 ARG 43 HH21 ARG 43 3.719 27.577 28.795 162 HH12 ARG 43 HH22 ARG 43 3.188 27.142 27.195 163 HH21 ARG 43 HH12 ARG 43 4.395 23.920 27.362 164 HH22 ARG 43 HH11 ARG 43 3.452 25.044 26.468 165 H GLY 44 H GLY 44 7.976 21.358 30.770 166 HA2 GLY 44 HA2 GLY 44 10.851 22.120 30.292 167 HA3 GLY 44 HA3 GLY 44 10.300 20.538 30.815 168 H GLU 45 H GLU 45 11.946 21.645 28.289 169 HA GLU 45 HA GLU 45 10.532 21.230 25.979 170 HB2 GLU 45 HB2 GLU 45 13.432 20.678 26.733 171 HB3 GLU 45 HB3 GLU 45 12.841 20.870 25.084 172 HG2 GLU 45 HG3 GLU 45 12.255 23.192 25.476 173 HG3 GLU 45 HG2 GLU 45 12.673 23.065 27.187 174 H ALA 46 H ALA 46 11.181 19.677 24.357 175 HA ALA 46 HA ALA 46 10.290 16.979 25.047 176 HB1 ALA 46 HB1 ALA 46 10.994 16.474 22.658 177 HB2 ALA 46 HB2 ALA 46 9.793 17.762 22.787 178 HB3 ALA 46 HB3 ALA 46 11.505 18.162 22.502 179 H THR 47 H THR 47 11.497 15.198 25.358 180 HA THR 47 HA THR 47 14.493 15.369 25.174 181 HB THR 47 HB THR 47 14.750 13.937 27.096 182 HG1 THR 47 HG1 THR 47 13.117 13.277 28.326 183 HG21 THR 47 HG21 THR 47 14.758 16.343 27.431 184 HG22 THR 47 HG22 THR 47 13.021 16.294 27.842 185 HG23 THR 47 HG23 THR 47 14.213 15.437 28.866 186 H GLU 48 H GLU 48 15.606 13.559 24.705 187 HA GLU 48 HA GLU 48 14.823 11.845 22.884 188 HB2 GLU 48 HB2 GLU 48 16.747 11.283 25.168 189 HB3 GLU 48 HB3 GLU 48 16.802 10.448 23.610 190 HG2 GLU 48 HG2 GLU 48 17.327 12.594 22.469 191 HG3 GLU 48 HG3 GLU 48 17.323 13.428 24.024 192 H ASP 49 H ASP 49 13.625 11.437 26.036 193 HA ASP 49 HA ASP 49 12.827 8.598 25.525 194 HB2 ASP 49 HB2 ASP 49 13.226 8.020 27.740 195 HB3 ASP 49 HB3 ASP 49 14.684 8.872 27.205 196 H ASN 50 H ASN 50 11.907 11.784 26.334 197 HA ASN 50 HA ASN 50 9.125 11.070 26.409 198 HB2 ASN 50 HB2 ASN 50 9.737 10.875 28.804 199 HB3 ASN 50 HB3 ASN 50 10.573 12.433 28.718 200 HD21 ASN 50 HD22 ASN 50 9.432 13.825 29.880 201 HD22 ASN 50 HD21 ASN 50 7.735 13.930 29.719 202 HA PRO 51 HA PRO 51 10.239 14.861 24.030 203 HB2 PRO 51 HB3 PRO 51 9.247 14.107 21.620 204 HB3 PRO 51 HB2 PRO 51 10.747 13.386 22.260 205 HG2 PRO 51 HG3 PRO 51 7.912 12.302 22.632 206 HG3 PRO 51 HG2 PRO 51 9.299 11.498 21.864 207 HD2 PRO 51 HD3 PRO 51 8.850 11.030 24.431 208 HD3 PRO 51 HD2 PRO 51 10.509 11.331 23.906 209 H LEU 52 H LEU 52 8.244 15.517 22.120 210 HA LEU 52 HA LEU 52 5.743 15.832 23.717 211 HB2 LEU 52 HB2 LEU 52 7.039 18.170 22.334 212 HB3 LEU 52 HB3 LEU 52 5.531 18.173 23.218 213 HG LEU 52 HG LEU 52 8.019 17.356 24.682 214 HD11 LEU 52 HD11 LEU 52 8.584 19.408 23.541 215 HD12 LEU 52 HD12 LEU 52 7.154 20.201 24.301 216 HD13 LEU 52 HD13 LEU 52 8.503 19.560 25.300 217 HD21 LEU 52 HD21 LEU 52 5.495 18.719 25.566 218 HD22 LEU 52 HD22 LEU 52 6.086 17.054 25.894 219 HD23 LEU 52 HD23 LEU 52 6.927 18.431 26.583 220 H PHE 53 H PHE 53 4.105 16.448 22.653 221 HA PHE 53 HA PHE 53 3.629 16.211 19.778 222 HB2 PHE 53 HB2 PHE 53 2.157 14.275 19.857 223 HB3 PHE 53 HB3 PHE 53 3.741 13.814 20.436 224 HD1 PHE 53 HD2 PHE 53 4.153 13.728 22.990 225 HD2 PHE 53 HD1 PHE 53 0.231 13.740 21.185 226 HE1 PHE 53 HE2 PHE 53 3.171 12.983 25.114 227 HE2 PHE 53 HE1 PHE 53 -0.725 12.881 23.305 228 HZ PHE 53 HZ PHE 53 0.731 12.596 25.309 229 H HIS 54 H HIS 54 0.976 16.267 19.543 230 HA HIS 54 HA HIS 54 -0.079 18.060 21.605 231 HB2 HIS 54 HB2 HIS 54 -1.204 19.265 19.685 232 HB3 HIS 54 HB3 HIS 54 0.501 19.556 19.991 233 HD1 HIS 54 HD1 HIS 54 -1.314 17.021 17.659 234 HD2 HIS 54 HD2 HIS 54 1.886 19.738 17.834 235 HE1 HIS 54 HE1 HIS 54 -0.194 16.960 15.351 236 HA PRO 55 HA PRO 55 -2.969 14.531 21.178 237 HB2 PRO 55 HB3 PRO 55 -4.122 14.706 23.694 238 HB3 PRO 55 HB2 PRO 55 -2.520 14.048 23.543 239 HG2 PRO 55 HG3 PRO 55 -3.342 16.956 24.002 240 HG3 PRO 55 HG2 PRO 55 -2.369 16.023 25.034 241 HD2 PRO 55 HD3 PRO 55 -1.208 17.623 23.259 242 HD3 PRO 55 HD2 PRO 55 -0.541 15.962 23.372 243 H CYS 56 H CYS 56 -3.424 17.876 21.701 244 HA CYS 56 HA CYS 56 -6.282 17.739 21.201 245 HB2 CYS 56 HB3 CYS 56 -5.399 17.682 23.725 246 HB3 CYS 56 HB2 CYS 56 -5.527 19.452 23.428 247 H LYS 57 H LYS 57 -7.155 19.801 20.593 248 HA LYS 57 HA LYS 57 -5.310 21.724 19.437 249 HB2 LYS 57 HB2 LYS 57 -8.275 21.304 19.420 250 HB3 LYS 57 HB3 LYS 57 -7.547 22.647 18.524 251 HG2 LYS 57 HG2 LYS 57 -6.690 19.764 18.147 252 HG3 LYS 57 HG3 LYS 57 -7.952 20.533 17.169 253 HD2 LYS 57 HD2 LYS 57 -6.244 22.261 16.474 254 HD3 LYS 57 HD3 LYS 57 -5.006 21.317 17.326 255 HE2 LYS 57 HE2 LYS 57 -5.574 19.325 15.943 256 HE3 LYS 57 HE3 LYS 57 -6.768 20.286 15.063 257 HZ1 LYS 57 HZ1 LYS 57 -4.662 20.188 13.864 258 HZ2 LYS 57 HZ2 LYS 57 -4.949 21.731 14.309 259 HZ3 LYS 57 HZ3 LYS 57 -3.846 20.834 15.120 260 H CYS 58 H CYS 58 -5.796 21.750 22.496 261 HA CYS 58 HA CYS 58 -6.743 24.082 23.429 262 HB2 CYS 58 HB2 CYS 58 -4.038 22.962 24.256 263 HB3 CYS 58 HB3 CYS 58 -5.175 23.874 25.246 264 H ARG 59 H ARG 59 -4.354 24.013 21.093 265 HA ARG 59 HA ARG 59 -2.952 25.371 19.992 266 HB2 ARG 59 HB3 ARG 59 -5.413 26.331 19.956 267 HB3 ARG 59 HB2 ARG 59 -4.691 27.697 20.802 268 HG2 ARG 59 HG2 ARG 59 -3.187 28.099 18.883 269 HG3 ARG 59 HG3 ARG 59 -3.700 26.578 18.135 270 HD2 ARG 59 HD2 ARG 59 -4.792 28.394 17.014 271 HD3 ARG 59 HD3 ARG 59 -6.000 27.467 17.887 272 HE ARG 59 HE ARG 59 -4.959 30.189 18.559 273 HH11 ARG 59 HH11 ARG 59 -7.371 27.745 19.297 274 HH12 ARG 59 HH12 ARG 59 -8.329 28.860 20.232 275 HH21 ARG 59 HH22 ARG 59 -6.228 31.537 19.761 276 HH22 ARG 59 HH21 ARG 59 -7.693 30.944 20.484 277 H GLY 60 H GLY 60 -1.638 27.596 19.919 278 HA2 GLY 60 HA2 GLY 60 0.075 28.796 20.833 279 HA3 GLY 60 HA3 GLY 60 -0.784 28.759 22.373 280 H SER 61 H SER 61 1.422 28.622 23.307 281 HA SER 61 HA SER 61 3.118 26.343 22.874 282 HB2 SER 61 HB3 SER 61 4.318 27.083 24.834 283 HB3 SER 61 HB2 SER 61 3.866 28.494 23.861 284 HG SER 61 HG SER 61 3.189 29.110 25.805 285 H ILE 62 H ILE 62 0.218 26.710 24.856 286 HA ILE 62 HA ILE 62 0.794 24.503 26.619 287 HB ILE 62 HB ILE 62 -1.538 24.748 27.354 288 HG12 ILE 62 HG12 ILE 62 -1.795 26.936 25.254 289 HG13 ILE 62 HG13 ILE 62 -2.441 25.296 25.057 290 HG21 ILE 62 HG21 ILE 62 -0.120 27.436 27.078 291 HG22 ILE 62 HG22 ILE 62 -1.302 26.971 28.318 292 HG23 ILE 62 HG23 ILE 62 0.278 26.182 28.269 293 HD11 ILE 62 HD11 ILE 62 -4.197 26.741 25.693 294 HD12 ILE 62 HD12 ILE 62 -3.879 25.611 27.022 295 HD13 ILE 62 HD13 ILE 62 -3.311 27.307 27.129 296 H LYS 63 H LYS 63 0.089 24.294 23.340 297 HA LYS 63 HA LYS 63 -1.725 22.014 23.462 298 HB2 LYS 63 HB2 LYS 63 -1.626 21.950 21.145 299 HB3 LYS 63 HB3 LYS 63 -1.496 23.667 21.523 300 HG2 LYS 63 HG2 LYS 63 1.008 23.489 21.193 301 HG3 LYS 63 HG3 LYS 63 0.793 21.794 20.743 302 HD2 LYS 63 HD2 LYS 63 -0.711 22.484 18.874 303 HD3 LYS 63 HD3 LYS 63 -0.383 24.189 19.275 304 HE2 LYS 63 HE2 LYS 63 2.038 23.804 18.922 305 HE3 LYS 63 HE3 LYS 63 1.730 22.100 18.568 306 HZ1 LYS 63 HZ1 LYS 63 0.441 22.810 16.618 307 HZ2 LYS 63 HZ2 LYS 63 0.740 24.385 16.943 308 HZ3 LYS 63 HZ3 LYS 63 1.963 23.389 16.530 309 H TYR 64 H TYR 64 1.678 22.388 23.886 310 HA TYR 64 HA TYR 64 2.313 19.635 23.088 311 HB2 TYR 64 HB2 TYR 64 3.944 22.042 23.910 312 HB3 TYR 64 HB3 TYR 64 4.656 20.435 23.852 313 HD1 TYR 64 HD2 TYR 64 4.203 19.018 21.697 314 HD2 TYR 64 HD1 TYR 64 3.957 23.319 21.879 315 HE1 TYR 64 HE2 TYR 64 4.520 19.105 19.266 316 HE2 TYR 64 HE1 TYR 64 4.266 23.423 19.410 317 HH TYR 64 HH TYR 64 4.566 20.478 17.386 318 H MET 65 H MET 65 2.788 17.999 24.380 319 HA MET 65 HA MET 65 3.055 18.292 27.331 320 HB2 MET 65 HB3 MET 65 0.936 16.742 25.771 321 HB3 MET 65 HB2 MET 65 1.413 16.292 27.403 322 HG2 MET 65 HG2 MET 65 0.767 18.531 28.227 323 HG3 MET 65 HG3 MET 65 0.126 18.914 26.614 324 HE1 MET 65 HE1 MET 65 -2.259 19.380 28.183 325 HE2 MET 65 HE2 MET 65 -2.956 18.078 29.171 326 HE3 MET 65 HE3 MET 65 -1.376 18.762 29.608 327 H HIS 66 H HIS 66 4.172 16.769 28.339 328 HA HIS 66 HA HIS 66 5.829 14.864 26.871 329 HB2 HIS 66 HB3 HIS 66 5.186 15.413 29.737 330 HB3 HIS 66 HB2 HIS 66 5.987 14.105 29.478 331 HD2 HIS 66 HD2 HIS 66 8.056 15.795 27.166 332 HE1 HIS 66 HE1 HIS 66 8.588 18.573 30.313 333 HE2 HIS 66 HE2 HIS 66 9.584 17.698 28.119 334 H GLU 67 H GLU 67 5.644 12.597 26.894 335 HA GLU 67 HA GLU 67 2.951 11.502 26.793 336 HB2 GLU 67 HB2 GLU 67 4.928 10.676 25.473 337 HB3 GLU 67 HB3 GLU 67 5.629 10.049 26.972 338 HG2 GLU 67 HG3 GLU 67 3.644 8.569 27.263 339 HG3 GLU 67 HG2 GLU 67 2.941 9.225 25.783 340 H SER 68 H SER 68 5.451 11.713 29.317 341 HA SER 68 HA SER 68 4.097 9.794 31.105 342 HB2 SER 68 HB2 SER 68 6.190 11.931 31.736 343 HB3 SER 68 HB3 SER 68 5.700 10.599 32.796 344 HG SER 68 HG SER 68 6.541 9.134 31.263 345 H CYS 69 H CYS 69 4.297 13.350 30.813 346 HA CYS 69 HA CYS 69 2.739 14.009 33.063 347 HB2 CYS 69 HB2 CYS 69 3.388 15.424 30.473 348 HB3 CYS 69 HB3 CYS 69 2.682 16.214 31.812 349 H LEU 70 H LEU 70 1.751 13.502 29.598 350 HA LEU 70 HA LEU 70 -1.015 14.218 30.023 351 HB2 LEU 70 HB2 LEU 70 -0.142 14.024 27.727 352 HB3 LEU 70 HB3 LEU 70 0.235 12.315 27.988 353 HG LEU 70 HG LEU 70 -2.229 11.878 28.204 354 HD11 LEU 70 HD11 LEU 70 -3.824 13.619 27.648 355 HD12 LEU 70 HD12 LEU 70 -2.891 14.165 29.025 356 HD13 LEU 70 HD13 LEU 70 -2.523 14.797 27.401 357 HD21 LEU 70 HD21 LEU 70 -1.456 13.457 25.723 358 HD22 LEU 70 HD22 LEU 70 -1.121 11.726 26.020 359 HD23 LEU 70 HD23 LEU 70 -2.792 12.288 25.849 360 H LEU 71 H LEU 71 0.727 11.103 30.256 361 HA LEU 71 HA LEU 71 -1.460 9.452 30.786 362 HB2 LEU 71 HB2 LEU 71 1.486 9.360 31.021 363 HB3 LEU 71 HB3 LEU 71 0.739 8.417 32.266 364 HG LEU 71 HG LEU 71 -0.432 7.035 30.656 365 HD11 LEU 71 HD11 LEU 71 0.875 8.686 28.452 366 HD12 LEU 71 HD12 LEU 71 -0.050 7.190 28.234 367 HD13 LEU 71 HD13 LEU 71 -0.859 8.643 28.820 368 HD21 LEU 71 HD21 LEU 71 2.500 7.452 29.916 369 HD22 LEU 71 HD22 LEU 71 1.894 6.473 31.271 370 HD23 LEU 71 HD23 LEU 71 1.548 5.979 29.604 371 H GLU 72 H GLU 72 0.124 11.671 32.952 372 HA GLU 72 HA GLU 72 -1.234 10.654 35.400 373 HB2 GLU 72 HB2 GLU 72 0.608 13.028 34.920 374 HB3 GLU 72 HB3 GLU 72 -0.008 12.529 36.489 375 HG2 GLU 72 HG2 GLU 72 1.722 10.737 34.729 376 HG3 GLU 72 HG3 GLU 72 2.380 11.853 35.906 377 H TRP 73 H TRP 73 -1.305 13.425 33.154 378 HA TRP 73 HA TRP 73 -3.168 15.081 34.527 379 HB2 TRP 73 HB2 TRP 73 -1.677 15.708 32.659 380 HB3 TRP 73 HB3 TRP 73 -2.633 14.709 31.571 381 HD1 TRP 73 HD1 TRP 73 -2.729 18.026 33.466 382 HE1 TRP 73 HE1 TRP 73 -4.457 19.579 32.370 383 HE3 TRP 73 HE3 TRP 73 -4.798 14.708 30.199 384 HZ2 TRP 73 HZ2 TRP 73 -6.492 19.393 30.307 385 HZ3 TRP 73 HZ3 TRP 73 -6.692 15.389 28.724 386 HH2 TRP 73 HH2 TRP 73 -7.516 17.735 28.749 387 H VAL 74 H VAL 74 -3.764 12.620 31.918 388 HA VAL 74 HA VAL 74 -6.626 12.864 32.014 389 HB VAL 74 HB VAL 74 -6.727 10.723 30.853 390 HG11 VAL 74 HG11 VAL 74 -4.418 12.428 29.855 391 HG12 VAL 74 HG12 VAL 74 -5.315 11.261 28.901 392 HG13 VAL 74 HG13 VAL 74 -6.147 12.693 29.537 393 HG21 VAL 74 HG21 VAL 74 -3.763 10.401 31.485 394 HG22 VAL 74 HG22 VAL 74 -5.094 9.332 31.965 395 HG23 VAL 74 HG23 VAL 74 -4.642 9.459 30.268 396 H ALA 75 H ALA 75 -4.363 10.988 33.962 397 HA ALA 75 HA ALA 75 -6.359 9.388 35.330 398 HB1 ALA 75 HB1 ALA 75 -4.561 8.864 36.898 399 HB2 ALA 75 HB2 ALA 75 -3.972 8.756 35.230 400 HB3 ALA 75 HB3 ALA 75 -3.548 10.156 36.236 401 H SER 76 H SER 76 -5.031 12.650 35.886 402 HA SER 76 HA SER 76 -6.312 13.066 38.462 403 HB2 SER 76 HB3 SER 76 -4.296 14.306 37.568 404 HB3 SER 76 HB2 SER 76 -5.382 15.153 36.449 405 HG SER 76 HG SER 76 -5.002 16.299 38.434 406 H LYS 77 H LYS 77 -7.241 13.477 35.071 407 HA LYS 77 HA LYS 77 -9.732 14.885 35.504 408 HB2 LYS 77 HB3 LYS 77 -8.393 13.480 33.134 409 HB3 LYS 77 HB2 LYS 77 -9.791 14.489 33.019 410 HG2 LYS 77 HG2 LYS 77 -7.277 15.638 34.183 411 HG3 LYS 77 HG3 LYS 77 -7.430 15.453 32.432 412 HD2 LYS 77 HD3 LYS 77 -9.323 16.875 32.347 413 HD3 LYS 77 HD2 LYS 77 -9.493 16.891 34.127 414 HE2 LYS 77 HE2 LYS 77 -7.270 17.992 34.319 415 HE3 LYS 77 HE3 LYS 77 -7.128 18.002 32.558 416 HZ1 LYS 77 HZ1 LYS 77 -9.061 19.465 32.447 417 HZ2 LYS 77 HZ2 LYS 77 -9.248 19.429 34.072 418 HZ3 LYS 77 HZ3 LYS 77 -7.933 20.139 33.417 419 H ASN 78 H ASN 78 -9.072 11.912 36.408 420 HA ASN 78 HA ASN 78 -10.278 10.165 37.035 421 HB2 ASN 78 HB2 ASN 78 -12.229 10.711 37.818 422 HB3 ASN 78 HB3 ASN 78 -12.117 12.242 37.027 423 HD21 ASN 78 HD22 ASN 78 -12.922 12.112 34.580 424 HD22 ASN 78 HD21 ASN 78 -14.471 11.271 34.411 425 H ILE 79 H ILE 79 -9.232 10.351 34.189 426 HA ILE 79 HA ILE 79 -10.863 8.178 32.958 427 HB ILE 79 HB ILE 79 -8.905 9.743 31.328 428 HG12 ILE 79 HG12 ILE 79 -11.545 10.942 32.283 429 HG13 ILE 79 HG13 ILE 79 -9.920 11.578 32.518 430 HG21 ILE 79 HG21 ILE 79 -10.227 7.828 30.432 431 HG22 ILE 79 HG22 ILE 79 -11.730 8.697 30.823 432 HG23 ILE 79 HG23 ILE 79 -10.615 9.330 29.601 433 HD11 ILE 79 HD11 ILE 79 -11.369 11.486 29.872 434 HD12 ILE 79 HD12 ILE 79 -10.938 12.897 30.851 435 HD13 ILE 79 HD13 ILE 79 -9.654 11.943 30.094 436 H ASP 80 H ASP 80 -9.923 6.278 32.305 437 HA ASP 80 HA ASP 80 -7.010 5.869 32.857 438 HB2 ASP 80 HB2 ASP 80 -8.404 5.078 34.717 439 HB3 ASP 80 HB3 ASP 80 -9.317 4.049 33.617 440 H ILE 81 H ILE 81 -6.028 5.415 31.052 441 HA ILE 81 HA ILE 81 -7.234 4.303 28.683 442 HB ILE 81 HB ILE 81 -4.915 4.187 27.831 443 HG12 ILE 81 HG12 ILE 81 -4.075 5.323 30.543 444 HG13 ILE 81 HG13 ILE 81 -3.742 3.685 29.977 445 HG21 ILE 81 HG21 ILE 81 -4.652 6.569 27.653 446 HG22 ILE 81 HG22 ILE 81 -6.373 6.189 27.673 447 HG23 ILE 81 HG23 ILE 81 -5.599 6.849 29.134 448 HD11 ILE 81 HD11 ILE 81 -1.771 5.017 29.643 449 HD12 ILE 81 HD12 ILE 81 -2.460 4.651 28.047 450 HD13 ILE 81 HD13 ILE 81 -2.674 6.265 28.771 451 H SER 82 H SER 82 -6.005 2.727 31.520 452 HA SER 82 HA SER 82 -5.167 0.281 30.234 453 HB2 SER 82 HB2 SER 82 -4.446 1.128 32.498 454 HB3 SER 82 HB3 SER 82 -6.041 0.664 33.118 455 HG SER 82 HG SER 82 -4.306 -0.917 33.364 456 H LYS 83 H LYS 83 -8.301 1.560 30.791 457 HA LYS 83 HA LYS 83 -9.589 -1.136 30.770 458 HB2 LYS 83 HB2 LYS 83 -10.698 1.607 31.487 459 HB3 LYS 83 HB3 LYS 83 -11.642 0.110 31.426 460 HG2 LYS 83 HG2 LYS 83 -10.083 -0.900 33.128 461 HG3 LYS 83 HG3 LYS 83 -9.275 0.675 33.267 462 HD2 LYS 83 HD2 LYS 83 -11.453 1.703 33.934 463 HD3 LYS 83 HD3 LYS 83 -12.208 0.092 33.849 464 HE2 LYS 83 HE2 LYS 83 -10.606 -0.737 35.565 465 HE3 LYS 83 HE3 LYS 83 -9.857 0.862 35.644 466 HZ1 LYS 83 HZ1 LYS 83 -11.480 0.553 37.425 467 HZ2 LYS 83 HZ2 LYS 83 -11.987 1.748 36.437 468 HZ3 LYS 83 HZ3 LYS 83 -12.682 0.268 36.361 469 HA PRO 84 HA PRO 84 -10.693 -0.376 26.568 470 HB2 PRO 84 HB3 PRO 84 -12.344 -2.477 26.023 471 HB3 PRO 84 HB2 PRO 84 -10.639 -2.686 26.522 472 HG2 PRO 84 HG3 PRO 84 -13.114 -2.793 28.291 473 HG3 PRO 84 HG2 PRO 84 -11.807 -4.014 28.165 474 HD2 PRO 84 HD3 PRO 84 -11.854 -2.030 30.082 475 HD3 PRO 84 HD2 PRO 84 -10.336 -2.699 29.426 476 H GLY 85 H GLY 85 -12.392 0.885 28.709 477 HA2 GLY 85 HA2 GLY 85 -14.800 1.627 27.066 478 HA3 GLY 85 HA3 GLY 85 -14.741 1.673 28.832 479 H ALA 86 H ALA 86 -11.767 2.713 27.584 480 HA ALA 86 HA ALA 86 -11.976 5.344 28.581 481 HB1 ALA 86 HB1 ALA 86 -9.792 5.674 27.499 482 HB2 ALA 86 HB2 ALA 86 -9.871 4.093 28.297 483 HB3 ALA 86 HB3 ALA 86 -10.032 4.206 26.529 484 H ASP 87 H ASP 87 -12.398 7.301 27.761 485 HA ASP 87 HA ASP 87 -12.963 7.768 24.886 486 HB2 ASP 87 HB2 ASP 87 -15.094 7.080 26.024 487 HB3 ASP 87 HB3 ASP 87 -14.909 8.434 27.138 488 H VAL 88 H VAL 88 -10.741 8.429 26.277 489 HA VAL 88 HA VAL 88 -10.489 10.715 27.757 490 HB VAL 88 HB VAL 88 -8.360 10.049 25.722 491 HG11 VAL 88 HG11 VAL 88 -8.170 11.936 27.474 492 HG12 VAL 88 HG12 VAL 88 -8.157 10.654 28.697 493 HG13 VAL 88 HG13 VAL 88 -6.891 10.718 27.450 494 HG21 VAL 88 HG21 VAL 88 -8.940 7.831 26.483 495 HG22 VAL 88 HG22 VAL 88 -7.475 8.344 27.312 496 HG23 VAL 88 HG23 VAL 88 -9.016 8.375 28.179 497 H LYS 89 H LYS 89 -11.379 12.654 27.359 498 HA LYS 89 HA LYS 89 -10.456 14.257 25.073 499 HB2 LYS 89 HB2 LYS 89 -12.379 13.238 24.225 500 HB3 LYS 89 HB3 LYS 89 -13.266 13.359 25.767 501 HG2 LYS 89 HG2 LYS 89 -13.504 15.791 25.441 502 HG3 LYS 89 HG3 LYS 89 -12.614 15.655 23.907 503 HD2 LYS 89 HD2 LYS 89 -14.284 13.759 23.318 504 HD3 LYS 89 HD3 LYS 89 -15.280 14.372 24.652 505 HE2 LYS 89 HE2 LYS 89 -15.310 16.616 23.516 506 HE3 LYS 89 HE3 LYS 89 -14.392 15.911 22.177 507 HZ1 LYS 89 HZ1 LYS 89 -16.775 15.930 21.706 508 HZ2 LYS 89 HZ2 LYS 89 -16.263 14.382 21.796 509 HZ3 LYS 89 HZ3 LYS 89 -17.106 15.041 23.032 510 H CYS 90 H CYS 90 -10.388 16.350 25.406 511 HA CYS 90 HA CYS 90 -9.765 17.302 27.990 512 HB2 CYS 90 HB3 CYS 90 -8.624 17.936 25.978 513 HB3 CYS 90 HB2 CYS 90 -10.028 18.387 25.183 514 H ASP 91 H ASP 91 -10.424 19.405 28.731 515 HA ASP 91 HA ASP 91 -13.343 20.039 28.689 516 HB2 ASP 91 HB2 ASP 91 -13.300 20.526 31.010 517 HB3 ASP 91 HB3 ASP 91 -12.589 18.933 30.802 518 H ILE 92 H ILE 92 -10.087 21.111 28.329 519 HA ILE 92 HA ILE 92 -10.535 23.896 28.860 520 HB ILE 92 HB ILE 92 -8.319 22.640 27.172 521 HG12 ILE 92 HG12 ILE 92 -8.371 23.158 30.180 522 HG13 ILE 92 HG13 ILE 92 -8.311 21.582 29.376 523 HG21 ILE 92 HG21 ILE 92 -8.588 25.009 26.792 524 HG22 ILE 92 HG22 ILE 92 -8.473 25.338 28.542 525 HG23 ILE 92 HG23 ILE 92 -7.080 24.699 27.630 526 HD11 ILE 92 HD11 ILE 92 -6.117 22.071 30.186 527 HD12 ILE 92 HD12 ILE 92 -6.081 22.175 28.414 528 HD13 ILE 92 HD13 ILE 92 -6.096 23.658 29.406 529 H CYS 93 H CYS 93 -9.973 21.922 25.846 530 HA CYS 93 HA CYS 93 -11.426 24.046 24.292 531 HB2 CYS 93 HB2 CYS 93 -10.038 23.523 22.416 532 HB3 CYS 93 HB3 CYS 93 -9.031 23.913 23.820 533 H HIS 94 H HIS 94 -11.670 20.996 25.509 534 HA HIS 94 HA HIS 94 -13.086 19.289 25.361 535 HB2 HIS 94 HB3 HIS 94 -14.764 20.908 23.434 536 HB3 HIS 94 HB2 HIS 94 -15.268 19.503 24.357 537 HD1 HIS 94 HD1 HIS 94 -15.298 19.877 27.141 538 HD2 HIS 94 HD2 HIS 94 -15.086 23.238 24.616 539 HE1 HIS 94 HE1 HIS 94 -15.973 21.887 28.565 540 H TYR 95 H TYR 95 -10.825 19.549 23.275 541 HA TYR 95 HA TYR 95 -11.852 17.888 21.094 542 HB2 TYR 95 HB2 TYR 95 -9.193 19.135 21.748 543 HB3 TYR 95 HB3 TYR 95 -9.235 17.822 20.624 544 HD1 TYR 95 HD1 TYR 95 -10.849 21.085 21.451 545 HD2 TYR 95 HD2 TYR 95 -9.778 18.351 18.321 546 HE1 TYR 95 HE1 TYR 95 -11.597 22.758 19.830 547 HE2 TYR 95 HE2 TYR 95 -10.587 20.016 16.622 548 HH TYR 95 HH TYR 95 -11.894 23.220 17.564 549 HA PRO 96 HA PRO 96 -10.818 13.983 23.021 550 HB2 PRO 96 HB3 PRO 96 -10.211 12.912 20.295 551 HB3 PRO 96 HB2 PRO 96 -11.408 12.329 21.505 552 HG2 PRO 96 HG3 PRO 96 -12.198 13.685 19.257 553 HG3 PRO 96 HG2 PRO 96 -12.992 13.935 20.860 554 HD2 PRO 96 HD3 PRO 96 -10.809 15.557 19.598 555 HD3 PRO 96 HD2 PRO 96 -12.386 16.126 20.236 556 H ILE 97 H ILE 97 -9.136 13.230 23.841 557 HA ILE 97 HA ILE 97 -6.550 14.483 23.269 558 HB ILE 97 HB ILE 97 -7.786 12.971 25.501 559 HG12 ILE 97 HG12 ILE 97 -8.095 15.531 24.852 560 HG13 ILE 97 HG13 ILE 97 -8.058 15.097 26.508 561 HG21 ILE 97 HG21 ILE 97 -4.875 13.708 25.499 562 HG22 ILE 97 HG22 ILE 97 -5.847 13.167 26.888 563 HG23 ILE 97 HG23 ILE 97 -5.571 12.079 25.526 564 HD11 ILE 97 HD11 ILE 97 -6.658 17.039 25.952 565 HD12 ILE 97 HD12 ILE 97 -5.666 15.734 26.637 566 HD13 ILE 97 HD13 ILE 97 -5.680 16.006 24.883 567 H GLN 98 H GLN 98 -5.217 13.649 21.986 568 HA GLN 98 HA GLN 98 -5.281 10.724 21.309 569 HB2 GLN 98 HB3 GLN 98 -4.571 13.205 19.713 570 HB3 GLN 98 HB2 GLN 98 -4.381 11.560 19.102 571 HG2 GLN 98 HG2 GLN 98 -6.689 11.171 18.978 572 HG3 GLN 98 HG3 GLN 98 -7.095 12.408 20.157 573 HE21 GLN 98 HE22 GLN 98 -7.415 14.558 19.502 574 HE22 GLN 98 HE21 GLN 98 -7.366 15.019 17.796 575 H PHE 99 H PHE 99 -3.788 9.588 22.142 576 HA PHE 99 HA PHE 99 -1.103 10.421 22.831 577 HB2 PHE 99 HB2 PHE 99 -2.270 7.618 22.613 578 HB3 PHE 99 HB3 PHE 99 -0.870 8.143 23.540 579 HD1 PHE 99 HD2 PHE 99 -4.570 8.083 23.401 580 HD2 PHE 99 HD1 PHE 99 -1.120 9.249 25.715 581 HE1 PHE 99 HE2 PHE 99 -6.028 8.513 25.355 582 HE2 PHE 99 HE1 PHE 99 -2.591 9.642 27.683 583 HZ PHE 99 HZ PHE 99 -5.036 9.284 27.505 584 H LYS 100 H LYS 100 -1.325 11.150 20.294 585 HA LYS 100 HA LYS 100 -0.899 9.522 18.107 586 HB2 LYS 100 HB2 LYS 100 -1.306 12.106 18.466 587 HB3 LYS 100 HB3 LYS 100 0.430 12.244 18.318 588 HG2 LYS 100 HG2 LYS 100 -1.501 11.045 16.273 589 HG3 LYS 100 HG3 LYS 100 -0.874 12.683 16.239 590 HD2 LYS 100 HD3 LYS 100 0.725 10.142 15.777 591 HD3 LYS 100 HD2 LYS 100 0.233 11.329 14.583 592 HE2 LYS 100 HE2 LYS 100 1.613 13.068 15.700 593 HE3 LYS 100 HE3 LYS 100 2.131 11.875 16.903 594 HZ1 LYS 100 HZ1 LYS 100 2.661 11.690 13.984 595 HZ2 LYS 100 HZ2 LYS 100 3.773 12.067 15.128 596 HZ3 LYS 100 HZ3 LYS 100 3.103 10.563 15.091 597 H THR 101 H THR 101 0.633 8.290 17.336 598 HA THR 101 HA THR 101 3.517 8.661 17.976 599 HB THR 101 HB THR 101 3.654 6.102 17.986 600 HG1 THR 101 HG1 THR 101 1.763 5.098 18.767 601 HG21 THR 101 HG21 THR 101 2.306 7.532 20.316 602 HG22 THR 101 HG22 THR 101 3.200 6.003 20.402 603 HG23 THR 101 HG23 THR 101 4.049 7.497 19.975 Start of MODEL 12 1 H1 VAL 19 H1 VAL 19 36.923 -3.607 21.567 2 H2 VAL 19 H2 VAL 19 38.437 -3.134 21.193 3 H3 VAL 19 H3 VAL 19 37.368 -3.470 19.999 4 HA VAL 19 HA VAL 19 37.165 -1.244 21.930 5 HB VAL 19 HB VAL 19 37.714 -1.032 18.956 6 HG11 VAL 19 HG11 VAL 19 38.049 1.373 19.472 7 HG12 VAL 19 HG12 VAL 19 36.392 0.888 19.820 8 HG13 VAL 19 HG13 VAL 19 37.551 1.091 21.153 9 HG21 VAL 19 HG21 VAL 19 39.895 -0.079 19.684 10 HG22 VAL 19 HG22 VAL 19 39.527 -0.523 21.361 11 HG23 VAL 19 HG23 VAL 19 39.752 -1.777 20.114 12 H ALA 20 H ALA 20 35.737 -1.671 18.685 13 HA ALA 20 HA ALA 20 33.062 -1.146 19.899 14 HB1 ALA 20 HB1 ALA 20 32.565 -0.171 17.691 15 HB2 ALA 20 HB2 ALA 20 34.013 0.558 18.416 16 HB3 ALA 20 HB3 ALA 20 34.177 -0.641 17.113 17 H ASN 21 H ASN 21 31.213 -1.955 18.684 18 HA ASN 21 HA ASN 21 31.500 -4.545 17.270 19 HB2 ASN 21 HB3 ASN 21 30.286 -5.839 18.822 20 HB3 ASN 21 HB2 ASN 21 31.488 -4.986 19.786 21 HD21 ASN 21 HD22 ASN 21 28.049 -5.247 18.999 22 HD22 ASN 21 HD21 ASN 21 27.478 -4.263 20.344 23 H GLU 22 H GLU 22 29.748 -1.681 17.792 24 HA GLU 22 HA GLU 22 27.820 -2.283 15.687 25 HB2 GLU 22 HB3 GLU 22 25.780 -1.960 16.962 26 HB3 GLU 22 HB2 GLU 22 26.673 -3.342 17.581 27 HG2 GLU 22 HG2 GLU 22 27.614 -1.776 19.386 28 HG3 GLU 22 HG3 GLU 22 26.453 -0.577 18.827 29 H GLU 23 H GLU 23 29.117 -0.158 17.965 30 HA GLU 23 HA GLU 23 27.899 2.304 17.632 31 HB2 GLU 23 HB2 GLU 23 30.917 1.949 17.858 32 HB3 GLU 23 HB3 GLU 23 29.986 3.393 18.238 33 HG2 GLU 23 HG2 GLU 23 30.138 2.606 20.339 34 HG3 GLU 23 HG3 GLU 23 28.682 1.731 19.890 35 H THR 24 H THR 24 30.460 1.113 15.499 36 HA THR 24 HA THR 24 30.523 3.295 13.688 37 HB THR 24 HB THR 24 31.756 1.663 12.207 38 HG1 THR 24 HG1 THR 24 32.129 -0.384 13.047 39 HG21 THR 24 HG21 THR 24 32.645 1.613 15.126 40 HG22 THR 24 HG22 THR 24 33.661 1.360 13.691 41 HG23 THR 24 HG23 THR 24 32.932 2.946 13.987 42 H ASP 25 H ASP 25 27.929 1.350 14.042 43 HA ASP 25 HA ASP 25 27.073 1.543 11.178 44 HB2 ASP 25 HB2 ASP 25 27.419 -0.738 12.239 45 HB3 ASP 25 HB3 ASP 25 26.033 -0.385 13.269 46 H THR 26 H THR 26 26.878 3.479 13.470 47 HA THR 26 HA THR 26 24.034 3.864 14.069 48 HB THR 26 HB THR 26 25.830 4.622 15.594 49 HG1 THR 26 HG1 THR 26 24.823 6.529 16.078 50 HG21 THR 26 HG21 THR 26 26.328 6.872 13.588 51 HG22 THR 26 HG22 THR 26 27.068 6.669 15.189 52 HG23 THR 26 HG23 THR 26 27.451 5.530 13.894 53 H ALA 27 H ALA 27 22.893 5.887 13.460 54 HA ALA 27 HA ALA 27 23.631 7.001 10.812 55 HB1 ALA 27 HB1 ALA 27 20.862 5.941 11.520 56 HB2 ALA 27 HB2 ALA 27 21.353 6.644 9.964 57 HB3 ALA 27 HB3 ALA 27 22.035 5.092 10.485 58 H THR 28 H THR 28 23.695 7.965 13.537 59 HA THR 28 HA THR 28 23.295 9.876 14.799 60 HB THR 28 HB THR 28 22.954 11.331 12.193 61 HG1 THR 28 HG1 THR 28 25.390 10.483 13.388 62 HG21 THR 28 HG21 THR 28 24.368 12.070 14.805 63 HG22 THR 28 HG22 THR 28 24.307 13.081 13.343 64 HG23 THR 28 HG23 THR 28 22.824 12.734 14.239 65 H PHE 29 H PHE 29 21.280 8.508 14.951 66 HA PHE 29 HA PHE 29 18.728 9.101 14.065 67 HB2 PHE 29 HB2 PHE 29 19.427 8.160 16.865 68 HB3 PHE 29 HB3 PHE 29 17.922 7.875 16.003 69 HD1 PHE 29 HD2 PHE 29 17.999 6.466 13.829 70 HD2 PHE 29 HD1 PHE 29 21.261 6.639 16.649 71 HE1 PHE 29 HE2 PHE 29 18.939 4.373 12.878 72 HE2 PHE 29 HE1 PHE 29 22.195 4.551 15.695 73 HZ PHE 29 HZ PHE 29 21.041 3.415 13.802 74 H ASN 30 H ASN 30 16.865 10.063 14.983 75 HA ASN 30 HA ASN 30 16.864 11.997 17.088 76 HB2 ASN 30 HB2 ASN 30 16.666 14.048 15.863 77 HB3 ASN 30 HB3 ASN 30 18.131 13.294 15.279 78 HD21 ASN 30 HD22 ASN 30 15.109 14.640 14.355 79 HD22 ASN 30 HD21 ASN 30 15.181 14.152 12.670 80 H ASP 31 H ASP 31 14.694 13.313 16.961 81 HA ASP 31 HA ASP 31 12.523 11.812 15.571 82 HB2 ASP 31 HB2 ASP 31 12.684 11.047 17.922 83 HB3 ASP 31 HB3 ASP 31 12.528 12.718 18.475 84 H ASP 32 H ASP 32 10.799 13.035 14.859 85 HA ASP 32 HA ASP 32 11.338 15.807 14.316 86 HB2 ASP 32 HB2 ASP 32 8.943 14.084 13.667 87 HB3 ASP 32 HB3 ASP 32 9.227 15.733 13.088 88 H ALA 33 H ALA 33 11.406 16.640 16.418 89 HA ALA 33 HA ALA 33 8.817 17.739 17.398 90 HB1 ALA 33 HB1 ALA 33 11.198 16.808 19.053 91 HB2 ALA 33 HB2 ALA 33 9.761 17.625 19.682 92 HB3 ALA 33 HB3 ALA 33 9.608 16.002 18.967 93 HA PRO 34 HA PRO 34 10.633 21.788 16.933 94 HB2 PRO 34 HB3 PRO 34 9.593 22.205 19.714 95 HB3 PRO 34 HB2 PRO 34 9.394 23.268 18.289 96 HG2 PRO 34 HG3 PRO 34 7.369 21.630 19.211 97 HG3 PRO 34 HG2 PRO 34 7.637 21.913 17.490 98 HD2 PRO 34 HD3 PRO 34 8.422 19.528 19.201 99 HD3 PRO 34 HD2 PRO 34 7.845 19.593 17.521 100 H SER 35 H SER 35 12.314 23.115 17.752 101 HA SER 35 HA SER 35 14.096 21.949 19.802 102 HB2 SER 35 HB2 SER 35 15.789 23.448 18.768 103 HB3 SER 35 HB3 SER 35 15.053 22.344 17.592 104 HG SER 35 HG SER 35 15.176 24.511 16.808 105 H GLY 36 H GLY 36 11.577 23.827 20.034 106 HA2 GLY 36 HA3 GLY 36 12.608 25.360 22.334 107 HA3 GLY 36 HA2 GLY 36 11.903 26.302 21.016 108 H ALA 37 H ALA 37 10.281 23.269 21.337 109 HA ALA 37 HA ALA 37 7.930 24.584 22.507 110 HB1 ALA 37 HB1 ALA 37 8.301 21.748 21.504 111 HB2 ALA 37 HB2 ALA 37 6.809 22.430 22.179 112 HB3 ALA 37 HB3 ALA 37 7.478 23.138 20.715 113 H THR 38 H THR 38 7.020 23.998 24.505 114 HA THR 38 HA THR 38 8.439 22.121 26.320 115 HB THR 38 HB THR 38 8.269 23.699 28.211 116 HG1 THR 38 HG1 THR 38 8.061 25.929 27.685 117 HG21 THR 38 HG21 THR 38 9.910 24.985 25.981 118 HG22 THR 38 HG22 THR 38 10.290 24.877 27.720 119 HG23 THR 38 HG23 THR 38 10.346 23.435 26.686 120 H CYS 39 H CYS 39 7.263 21.110 27.850 121 HA CYS 39 HA CYS 39 4.560 20.640 27.427 122 HB2 CYS 39 HB3 CYS 39 5.956 19.084 28.503 123 HB3 CYS 39 HB2 CYS 39 6.479 20.146 29.730 124 H ARG 40 H ARG 40 2.688 21.282 28.225 125 HA ARG 40 HA ARG 40 2.335 23.857 29.578 126 HB2 ARG 40 HB3 ARG 40 0.117 23.679 29.130 127 HB3 ARG 40 HB2 ARG 40 0.949 22.902 27.792 128 HG2 ARG 40 HG3 ARG 40 -0.386 21.154 28.040 129 HG3 ARG 40 HG2 ARG 40 0.472 20.757 29.515 130 HD2 ARG 40 HD3 ARG 40 -2.005 22.530 29.283 131 HD3 ARG 40 HD2 ARG 40 -1.902 20.837 29.758 132 HE ARG 40 HE ARG 40 -0.482 22.874 31.385 133 HH11 ARG 40 HH11 ARG 40 -3.052 20.482 31.311 134 HH12 ARG 40 HH12 ARG 40 -3.161 20.439 33.045 135 HH21 ARG 40 HH22 ARG 40 -0.704 22.793 33.553 136 HH22 ARG 40 HH21 ARG 40 -1.904 21.768 34.281 137 H ILE 41 H ILE 41 2.810 20.735 30.762 138 HA ILE 41 HA ILE 41 1.585 21.260 33.420 139 HB ILE 41 HB ILE 41 2.834 18.711 32.299 140 HG12 ILE 41 HG12 ILE 41 -0.040 19.543 32.532 141 HG13 ILE 41 HG13 ILE 41 0.840 19.114 31.060 142 HG21 ILE 41 HG21 ILE 41 1.986 17.540 34.214 143 HG22 ILE 41 HG22 ILE 41 2.946 18.861 34.809 144 HG23 ILE 41 HG23 ILE 41 1.172 19.009 34.824 145 HD11 ILE 41 HD11 ILE 41 -0.618 17.307 31.607 146 HD12 ILE 41 HD12 ILE 41 1.010 16.759 32.033 147 HD13 ILE 41 HD13 ILE 41 -0.103 17.295 33.296 148 H CYS 42 H CYS 42 4.714 20.221 31.907 149 HA CYS 42 HA CYS 42 6.029 20.677 34.557 150 HB2 CYS 42 HB2 CYS 42 7.162 19.175 32.206 151 HB3 CYS 42 HB3 CYS 42 7.527 18.997 33.921 152 H ARG 43 H ARG 43 5.648 22.348 31.740 153 HA ARG 43 HA ARG 43 6.787 23.993 30.550 154 HB2 ARG 43 HB3 ARG 43 7.720 24.730 33.345 155 HB3 ARG 43 HB2 ARG 43 7.636 25.815 31.957 156 HG2 ARG 43 HG2 ARG 43 5.228 24.442 33.238 157 HG3 ARG 43 HG3 ARG 43 5.742 26.088 33.571 158 HD2 ARG 43 HD2 ARG 43 5.165 26.876 31.442 159 HD3 ARG 43 HD3 ARG 43 5.131 25.271 30.718 160 HE ARG 43 HE ARG 43 3.139 24.831 32.295 161 HH11 ARG 43 HH22 ARG 43 3.649 27.988 30.846 162 HH12 ARG 43 HH21 ARG 43 1.938 28.307 30.766 163 HH21 ARG 43 HH12 ARG 43 1.042 25.243 32.065 164 HH22 ARG 43 HH11 ARG 43 0.485 26.805 31.502 165 H GLY 44 H GLY 44 8.109 21.505 30.635 166 HA2 GLY 44 HA3 GLY 44 10.980 22.312 30.366 167 HA3 GLY 44 HA2 GLY 44 10.437 20.723 30.835 168 H GLU 45 H GLU 45 12.091 21.896 28.511 169 HA GLU 45 HA GLU 45 10.800 21.516 26.077 170 HB2 GLU 45 HB2 GLU 45 13.708 21.009 26.841 171 HB3 GLU 45 HB3 GLU 45 13.113 21.286 25.205 172 HG2 GLU 45 HG2 GLU 45 12.482 23.574 25.747 173 HG3 GLU 45 HG3 GLU 45 12.911 23.340 27.447 174 H ALA 46 H ALA 46 11.117 19.997 24.459 175 HA ALA 46 HA ALA 46 10.472 17.295 25.175 176 HB1 ALA 46 HB1 ALA 46 9.929 18.183 22.929 177 HB2 ALA 46 HB2 ALA 46 11.661 18.370 22.573 178 HB3 ALA 46 HB3 ALA 46 10.965 16.752 22.797 179 H THR 47 H THR 47 11.636 15.432 25.298 180 HA THR 47 HA THR 47 14.627 15.625 25.199 181 HB THR 47 HB THR 47 14.836 14.111 27.053 182 HG1 THR 47 HG1 THR 47 12.965 13.633 28.307 183 HG21 THR 47 HG21 THR 47 14.198 15.502 28.871 184 HG22 THR 47 HG22 THR 47 14.696 16.529 27.505 185 HG23 THR 47 HG23 THR 47 12.962 16.329 27.886 186 H GLU 48 H GLU 48 15.751 13.823 24.772 187 HA GLU 48 HA GLU 48 14.970 12.226 22.720 188 HB2 GLU 48 HB2 GLU 48 16.956 11.654 24.943 189 HB3 GLU 48 HB3 GLU 48 17.006 10.837 23.378 190 HG2 GLU 48 HG2 GLU 48 17.474 13.817 23.839 191 HG3 GLU 48 HG3 GLU 48 18.713 12.609 23.543 192 H ASP 49 H ASP 49 13.891 11.677 25.893 193 HA ASP 49 HA ASP 49 13.215 8.820 25.353 194 HB2 ASP 49 HB2 ASP 49 15.034 9.087 27.037 195 HB3 ASP 49 HB3 ASP 49 13.968 10.105 28.004 196 H ASN 50 H ASN 50 12.131 12.025 26.349 197 HA ASN 50 HA ASN 50 9.394 11.039 26.228 198 HB2 ASN 50 HB2 ASN 50 10.022 10.937 28.661 199 HB3 ASN 50 HB3 ASN 50 10.693 12.562 28.549 200 HD21 ASN 50 HD22 ASN 50 9.485 13.755 29.846 201 HD22 ASN 50 HD21 ASN 50 7.788 13.729 29.744 202 HA PRO 51 HA PRO 51 10.055 14.679 23.476 203 HB2 PRO 51 HB3 PRO 51 8.034 12.793 22.180 204 HB3 PRO 51 HB2 PRO 51 9.198 13.912 21.381 205 HG2 PRO 51 HG3 PRO 51 9.950 11.366 21.597 206 HG3 PRO 51 HG2 PRO 51 11.014 12.694 22.235 207 HD2 PRO 51 HD3 PRO 51 9.284 10.922 23.931 208 HD3 PRO 51 HD2 PRO 51 10.993 11.343 24.021 209 H LEU 52 H LEU 52 8.524 16.021 22.522 210 HA LEU 52 HA LEU 52 5.861 16.251 23.890 211 HB2 LEU 52 HB2 LEU 52 7.451 18.497 22.636 212 HB3 LEU 52 HB3 LEU 52 5.905 18.639 23.445 213 HG LEU 52 HG LEU 52 8.326 17.599 24.916 214 HD11 LEU 52 HD11 LEU 52 8.703 19.805 25.757 215 HD12 LEU 52 HD12 LEU 52 8.835 19.817 23.994 216 HD13 LEU 52 HD13 LEU 52 7.359 20.463 24.770 217 HD21 LEU 52 HD21 LEU 52 6.298 17.170 26.031 218 HD22 LEU 52 HD22 LEU 52 7.158 18.448 26.877 219 HD23 LEU 52 HD23 LEU 52 5.753 18.872 25.875 220 H PHE 53 H PHE 53 4.108 16.541 22.773 221 HA PHE 53 HA PHE 53 4.005 16.907 19.876 222 HB2 PHE 53 HB2 PHE 53 3.031 14.863 19.328 223 HB3 PHE 53 HB3 PHE 53 4.366 14.382 20.351 224 HD1 PHE 53 HD1 PHE 53 3.673 14.215 23.018 225 HD2 PHE 53 HD2 PHE 53 0.971 13.832 19.667 226 HE1 PHE 53 HE1 PHE 53 1.993 13.144 24.487 227 HE2 PHE 53 HE2 PHE 53 -0.679 12.717 21.139 228 HZ PHE 53 HZ PHE 53 -0.207 12.444 23.556 229 H HIS 54 H HIS 54 1.406 16.553 19.373 230 HA HIS 54 HA HIS 54 -0.040 18.026 21.492 231 HB2 HIS 54 HB2 HIS 54 -1.328 19.155 19.809 232 HB3 HIS 54 HB3 HIS 54 0.382 19.519 19.735 233 HD1 HIS 54 HD1 HIS 54 1.700 18.717 17.500 234 HD2 HIS 54 HD2 HIS 54 -2.440 17.981 17.655 235 HE1 HIS 54 HE1 HIS 54 0.989 18.138 15.122 236 HA PRO 55 HA PRO 55 -2.448 14.125 21.313 237 HB2 PRO 55 HB3 PRO 55 -3.819 14.479 23.650 238 HB3 PRO 55 HB2 PRO 55 -2.171 14.084 23.727 239 HG2 PRO 55 HG3 PRO 55 -3.408 16.859 23.735 240 HG3 PRO 55 HG2 PRO 55 -2.389 16.203 24.940 241 HD2 PRO 55 HD3 PRO 55 -1.350 17.736 22.992 242 HD3 PRO 55 HD2 PRO 55 -0.454 16.238 23.401 243 H CYS 56 H CYS 56 -3.437 17.432 21.488 244 HA CYS 56 HA CYS 56 -6.270 17.045 20.845 245 HB2 CYS 56 HB3 CYS 56 -5.474 17.250 23.279 246 HB3 CYS 56 HB2 CYS 56 -5.069 18.938 22.824 247 H LYS 57 H LYS 57 -6.708 19.856 20.867 248 HA LYS 57 HA LYS 57 -4.819 20.958 18.789 249 HB2 LYS 57 HB2 LYS 57 -7.584 21.815 19.708 250 HB3 LYS 57 HB3 LYS 57 -6.570 22.756 18.613 251 HG2 LYS 57 HG3 LYS 57 -7.547 19.913 18.091 252 HG3 LYS 57 HG2 LYS 57 -8.205 21.412 17.428 253 HD2 LYS 57 HD2 LYS 57 -5.907 21.840 16.415 254 HD3 LYS 57 HD3 LYS 57 -5.501 20.162 16.845 255 HE2 LYS 57 HE2 LYS 57 -7.403 19.326 15.531 256 HE3 LYS 57 HE3 LYS 57 -7.899 20.979 15.149 257 HZ1 LYS 57 HZ1 LYS 57 -5.801 21.273 13.951 258 HZ2 LYS 57 HZ2 LYS 57 -5.328 19.747 14.304 259 HZ3 LYS 57 HZ3 LYS 57 -6.615 20.002 13.334 260 H CYS 58 H CYS 58 -6.296 21.489 21.764 261 HA CYS 58 HA CYS 58 -6.212 23.023 23.470 262 HB2 CYS 58 HB2 CYS 58 -3.639 21.674 23.250 263 HB3 CYS 58 HB3 CYS 58 -3.738 22.972 24.490 264 H ARG 59 H ARG 59 -4.900 24.255 20.799 265 HA ARG 59 HA ARG 59 -4.374 26.231 19.947 266 HB2 ARG 59 HB2 ARG 59 -6.842 26.136 20.295 267 HB3 ARG 59 HB3 ARG 59 -6.643 27.125 21.737 268 HG2 ARG 59 HG3 ARG 59 -7.415 28.499 19.915 269 HG3 ARG 59 HG2 ARG 59 -5.770 28.993 20.307 270 HD2 ARG 59 HD2 ARG 59 -4.908 27.722 18.372 271 HD3 ARG 59 HD3 ARG 59 -6.555 27.155 18.008 272 HE ARG 59 HE ARG 59 -6.599 29.993 18.113 273 HH11 ARG 59 HH12 ARG 59 -5.259 27.532 16.008 274 HH12 ARG 59 HH11 ARG 59 -5.291 28.580 14.615 275 HH21 ARG 59 HH22 ARG 59 -6.614 31.271 16.299 276 HH22 ARG 59 HH21 ARG 59 -6.041 30.640 14.784 277 H GLY 60 H GLY 60 -2.368 26.171 21.024 278 HA2 GLY 60 HA2 GLY 60 -1.160 28.579 21.215 279 HA3 GLY 60 HA3 GLY 60 -1.715 28.384 22.881 280 H SER 61 H SER 61 0.836 28.567 23.005 281 HA SER 61 HA SER 61 2.533 26.349 22.435 282 HB2 SER 61 HB2 SER 61 2.645 28.198 24.849 283 HB3 SER 61 HB3 SER 61 3.972 27.220 24.192 284 HG SER 61 HG SER 61 4.055 29.410 23.472 285 H ILE 62 H ILE 62 0.002 26.681 24.825 286 HA ILE 62 HA ILE 62 0.717 24.623 26.649 287 HB ILE 62 HB ILE 62 -1.746 24.660 27.184 288 HG12 ILE 62 HG12 ILE 62 -1.888 27.018 25.252 289 HG13 ILE 62 HG13 ILE 62 -2.424 25.397 24.809 290 HG21 ILE 62 HG21 ILE 62 -0.028 26.055 28.324 291 HG22 ILE 62 HG22 ILE 62 -0.339 27.368 27.171 292 HG23 ILE 62 HG23 ILE 62 -1.611 26.832 28.287 293 HD11 ILE 62 HD11 ILE 62 -4.107 25.400 26.555 294 HD12 ILE 62 HD12 ILE 62 -3.559 26.996 27.139 295 HD13 ILE 62 HD13 ILE 62 -4.278 26.839 25.530 296 H LYS 63 H LYS 63 -0.326 24.343 23.319 297 HA LYS 63 HA LYS 63 -1.623 21.774 23.635 298 HB2 LYS 63 HB2 LYS 63 -1.821 21.750 21.332 299 HB3 LYS 63 HB3 LYS 63 -1.829 23.480 21.705 300 HG2 LYS 63 HG2 LYS 63 0.599 23.585 21.078 301 HG3 LYS 63 HG3 LYS 63 0.557 21.866 20.663 302 HD2 LYS 63 HD2 LYS 63 -1.214 22.332 18.968 303 HD3 LYS 63 HD3 LYS 63 -1.059 24.069 19.326 304 HE2 LYS 63 HE2 LYS 63 1.363 23.955 18.737 305 HE3 LYS 63 HE3 LYS 63 1.194 22.232 18.379 306 HZ1 LYS 63 HZ1 LYS 63 1.062 23.572 16.359 307 HZ2 LYS 63 HZ2 LYS 63 -0.366 22.822 16.598 308 HZ3 LYS 63 HZ3 LYS 63 -0.211 24.417 16.929 309 H TYR 64 H TYR 64 1.538 22.431 24.217 310 HA TYR 64 HA TYR 64 2.530 19.793 23.254 311 HB2 TYR 64 HB2 TYR 64 3.966 22.314 24.110 312 HB3 TYR 64 HB3 TYR 64 4.777 20.752 24.029 313 HD1 TYR 64 HD1 TYR 64 4.509 19.365 21.851 314 HD2 TYR 64 HD2 TYR 64 3.816 23.614 22.095 315 HE1 TYR 64 HE1 TYR 64 4.841 19.530 19.418 316 HE2 TYR 64 HE2 TYR 64 4.137 23.794 19.630 317 HH TYR 64 HH TYR 64 4.802 20.931 17.571 318 H MET 65 H MET 65 3.197 18.257 24.607 319 HA MET 65 HA MET 65 3.229 18.492 27.545 320 HB2 MET 65 HB3 MET 65 1.150 16.857 26.010 321 HB3 MET 65 HB2 MET 65 1.479 16.692 27.734 322 HG2 MET 65 HG2 MET 65 0.679 18.966 28.138 323 HG3 MET 65 HG3 MET 65 0.403 19.202 26.415 324 HE1 MET 65 HE1 MET 65 -0.382 16.734 29.247 325 HE2 MET 65 HE2 MET 65 -1.272 18.212 29.686 326 HE3 MET 65 HE3 MET 65 -2.160 16.735 29.256 327 H HIS 66 H HIS 66 4.252 16.768 28.503 328 HA HIS 66 HA HIS 66 5.967 15.061 26.857 329 HB2 HIS 66 HB3 HIS 66 5.210 15.222 29.749 330 HB3 HIS 66 HB2 HIS 66 6.161 14.105 29.396 331 HD2 HIS 66 HD2 HIS 66 8.396 15.763 27.607 332 HE1 HIS 66 HE1 HIS 66 8.212 18.884 30.426 333 HE2 HIS 66 HE2 HIS 66 9.606 17.847 28.604 334 H GLU 67 H GLU 67 5.839 12.781 26.680 335 HA GLU 67 HA GLU 67 3.246 11.620 26.330 336 HB2 GLU 67 HB2 GLU 67 5.494 10.883 25.342 337 HB3 GLU 67 HB3 GLU 67 5.845 10.140 26.910 338 HG2 GLU 67 HG2 GLU 67 3.767 8.752 26.662 339 HG3 GLU 67 HG3 GLU 67 3.527 9.456 25.059 340 H SER 68 H SER 68 5.491 11.658 29.121 341 HA SER 68 HA SER 68 3.831 9.792 30.696 342 HB2 SER 68 HB2 SER 68 6.203 11.517 31.516 343 HB3 SER 68 HB3 SER 68 5.451 10.240 32.492 344 HG SER 68 HG SER 68 7.293 9.468 31.369 345 H CYS 69 H CYS 69 4.180 13.335 30.508 346 HA CYS 69 HA CYS 69 2.814 13.772 32.987 347 HB2 CYS 69 HB3 CYS 69 3.417 15.984 32.560 348 HB3 CYS 69 HB2 CYS 69 4.561 15.098 31.593 349 H LEU 70 H LEU 70 1.954 13.915 29.599 350 HA LEU 70 HA LEU 70 -0.801 14.639 29.805 351 HB2 LEU 70 HB2 LEU 70 0.404 14.469 27.691 352 HB3 LEU 70 HB3 LEU 70 0.728 12.761 27.958 353 HG LEU 70 HG LEU 70 -1.652 12.174 27.786 354 HD11 LEU 70 HD11 LEU 70 -3.280 13.746 26.935 355 HD12 LEU 70 HD12 LEU 70 -2.705 14.264 28.527 356 HD13 LEU 70 HD13 LEU 70 -2.109 15.074 27.044 357 HD21 LEU 70 HD21 LEU 70 -0.210 12.181 25.803 358 HD22 LEU 70 HD22 LEU 70 -1.888 12.609 25.395 359 HD23 LEU 70 HD23 LEU 70 -0.649 13.881 25.484 360 H LEU 71 H LEU 71 0.767 11.433 29.863 361 HA LEU 71 HA LEU 71 -1.490 9.844 30.248 362 HB2 LEU 71 HB2 LEU 71 1.429 9.645 30.974 363 HB3 LEU 71 HB3 LEU 71 0.379 8.393 31.565 364 HG LEU 71 HG LEU 71 0.571 9.045 28.595 365 HD11 LEU 71 HD11 LEU 71 1.800 6.743 30.190 366 HD12 LEU 71 HD12 LEU 71 1.872 6.961 28.425 367 HD13 LEU 71 HD13 LEU 71 2.706 8.098 29.483 368 HD21 LEU 71 HD21 LEU 71 -0.724 6.742 30.108 369 HD22 LEU 71 HD22 LEU 71 -1.561 7.995 29.166 370 HD23 LEU 71 HD23 LEU 71 -0.526 6.831 28.344 371 H GLU 72 H GLU 72 0.330 11.695 32.670 372 HA GLU 72 HA GLU 72 -1.173 10.451 34.873 373 HB2 GLU 72 HB3 GLU 72 0.009 11.670 36.368 374 HB3 GLU 72 HB2 GLU 72 1.234 11.193 35.090 375 HG2 GLU 72 HG2 GLU 72 1.413 13.192 34.233 376 HG3 GLU 72 HG3 GLU 72 0.110 13.953 35.178 377 H TRP 73 H TRP 73 -1.255 13.544 33.081 378 HA TRP 73 HA TRP 73 -3.229 14.821 34.726 379 HB2 TRP 73 HB2 TRP 73 -1.840 15.957 33.093 380 HB3 TRP 73 HB3 TRP 73 -2.582 15.062 31.783 381 HD1 TRP 73 HD1 TRP 73 -3.809 17.538 34.549 382 HE1 TRP 73 HE1 TRP 73 -5.559 19.110 33.501 383 HE3 TRP 73 HE3 TRP 73 -4.037 15.467 29.906 384 HZ2 TRP 73 HZ2 TRP 73 -6.755 19.532 30.852 385 HZ3 TRP 73 HZ3 TRP 73 -5.350 16.511 28.121 386 HH2 TRP 73 HH2 TRP 73 -6.735 18.543 28.565 387 H VAL 74 H VAL 74 -3.633 12.876 31.675 388 HA VAL 74 HA VAL 74 -6.511 12.909 31.842 389 HB VAL 74 HB VAL 74 -6.506 11.057 30.251 390 HG11 VAL 74 HG11 VAL 74 -4.316 13.041 29.551 391 HG12 VAL 74 HG12 VAL 74 -5.305 12.114 28.417 392 HG13 VAL 74 HG13 VAL 74 -6.055 13.360 29.433 393 HG21 VAL 74 HG21 VAL 74 -3.535 10.825 30.834 394 HG22 VAL 74 HG22 VAL 74 -4.775 9.592 31.017 395 HG23 VAL 74 HG23 VAL 74 -4.305 10.130 29.406 396 H ALA 75 H ALA 75 -4.128 10.871 33.368 397 HA ALA 75 HA ALA 75 -6.057 8.896 34.353 398 HB1 ALA 75 HB1 ALA 75 -3.700 8.283 34.102 399 HB2 ALA 75 HB2 ALA 75 -3.231 9.515 35.301 400 HB3 ALA 75 HB3 ALA 75 -4.211 8.119 35.787 401 H SER 76 H SER 76 -5.172 12.126 35.344 402 HA SER 76 HA SER 76 -6.081 11.793 38.140 403 HB2 SER 76 HB2 SER 76 -5.416 14.309 36.556 404 HB3 SER 76 HB3 SER 76 -5.749 14.223 38.289 405 HG SER 76 HG SER 76 -3.622 12.905 36.917 406 H LYS 77 H LYS 77 -7.643 11.976 35.196 407 HA LYS 77 HA LYS 77 -9.955 13.610 35.990 408 HB2 LYS 77 HB2 LYS 77 -9.431 12.065 33.472 409 HB3 LYS 77 HB3 LYS 77 -10.639 13.314 33.684 410 HG2 LYS 77 HG3 LYS 77 -7.744 14.066 34.211 411 HG3 LYS 77 HG2 LYS 77 -8.213 13.771 32.638 412 HD2 LYS 77 HD2 LYS 77 -10.130 15.525 33.013 413 HD3 LYS 77 HD3 LYS 77 -9.384 15.780 34.599 414 HE2 LYS 77 HE3 LYS 77 -8.236 17.424 33.513 415 HE3 LYS 77 HE2 LYS 77 -7.170 16.080 33.095 416 HZ1 LYS 77 HZ1 LYS 77 -9.213 17.418 31.413 417 HZ2 LYS 77 HZ2 LYS 77 -7.645 17.183 31.083 418 HZ3 LYS 77 HZ3 LYS 77 -8.670 15.907 31.013 419 H ASN 78 H ASN 78 -9.245 10.662 36.949 420 HA ASN 78 HA ASN 78 -10.405 8.970 37.855 421 HB2 ASN 78 HB2 ASN 78 -12.320 9.570 38.703 422 HB3 ASN 78 HB3 ASN 78 -12.349 10.991 37.726 423 HD21 ASN 78 HD22 ASN 78 -13.314 10.649 35.445 424 HD22 ASN 78 HD21 ASN 78 -14.779 9.655 35.402 425 H ILE 79 H ILE 79 -9.688 9.233 34.833 426 HA ILE 79 HA ILE 79 -11.196 6.872 33.812 427 HB ILE 79 HB ILE 79 -9.586 8.785 32.121 428 HG12 ILE 79 HG12 ILE 79 -12.445 9.189 33.115 429 HG13 ILE 79 HG13 ILE 79 -11.061 10.244 33.330 430 HG21 ILE 79 HG21 ILE 79 -10.316 6.596 31.169 431 HG22 ILE 79 HG22 ILE 79 -12.007 7.024 31.522 432 HG23 ILE 79 HG23 ILE 79 -11.061 7.955 30.342 433 HD11 ILE 79 HD11 ILE 79 -10.946 10.814 31.002 434 HD12 ILE 79 HD12 ILE 79 -12.379 9.795 30.655 435 HD13 ILE 79 HD13 ILE 79 -12.516 11.213 31.709 436 H ASP 80 H ASP 80 -10.186 5.010 33.601 437 HA ASP 80 HA ASP 80 -7.261 4.818 33.952 438 HB2 ASP 80 HB2 ASP 80 -8.660 3.343 35.255 439 HB3 ASP 80 HB3 ASP 80 -9.370 2.645 33.792 440 H ILE 81 H ILE 81 -6.662 5.804 32.031 441 HA ILE 81 HA ILE 81 -7.388 4.907 29.427 442 HB ILE 81 HB ILE 81 -5.717 6.264 28.544 443 HG12 ILE 81 HG12 ILE 81 -3.725 5.716 29.796 444 HG13 ILE 81 HG13 ILE 81 -3.979 7.446 29.686 445 HG21 ILE 81 HG21 ILE 81 -7.693 7.323 29.508 446 HG22 ILE 81 HG22 ILE 81 -6.827 7.632 31.023 447 HG23 ILE 81 HG23 ILE 81 -6.284 8.402 29.526 448 HD11 ILE 81 HD11 ILE 81 -4.448 5.724 32.152 449 HD12 ILE 81 HD12 ILE 81 -3.145 6.893 31.879 450 HD13 ILE 81 HD13 ILE 81 -4.811 7.467 32.043 451 H SER 82 H SER 82 -5.529 3.251 31.685 452 HA SER 82 HA SER 82 -3.651 1.987 29.912 453 HB2 SER 82 HB2 SER 82 -3.506 2.030 32.432 454 HB3 SER 82 HB3 SER 82 -4.878 0.911 32.480 455 HG SER 82 HG SER 82 -2.273 0.472 31.389 456 H LYS 83 H LYS 83 -7.078 1.575 30.535 457 HA LYS 83 HA LYS 83 -7.229 -1.004 29.051 458 HB2 LYS 83 HB2 LYS 83 -9.380 0.633 30.467 459 HB3 LYS 83 HB3 LYS 83 -9.648 -0.894 29.614 460 HG2 LYS 83 HG2 LYS 83 -7.935 -1.967 31.159 461 HG3 LYS 83 HG3 LYS 83 -7.941 -0.462 32.094 462 HD2 LYS 83 HD2 LYS 83 -10.451 -0.750 32.396 463 HD3 LYS 83 HD3 LYS 83 -10.313 -2.287 31.531 464 HE2 LYS 83 HE2 LYS 83 -10.261 -2.965 33.763 465 HE3 LYS 83 HE3 LYS 83 -8.558 -2.959 33.300 466 HZ1 LYS 83 HZ1 LYS 83 -8.817 -1.864 35.420 467 HZ2 LYS 83 HZ2 LYS 83 -8.432 -0.684 34.352 468 HZ3 LYS 83 HZ3 LYS 83 -9.971 -0.859 34.859 469 HA PRO 84 HA PRO 84 -8.183 1.234 25.374 470 HB2 PRO 84 HB3 PRO 84 -8.990 -0.744 23.658 471 HB3 PRO 84 HB2 PRO 84 -7.344 -0.678 24.357 472 HG2 PRO 84 HG3 PRO 84 -9.732 -2.265 25.377 473 HG3 PRO 84 HG2 PRO 84 -8.082 -2.875 25.028 474 HD2 PRO 84 HD3 PRO 84 -8.892 -2.119 27.542 475 HD3 PRO 84 HD2 PRO 84 -7.211 -1.902 26.979 476 H GLY 85 H GLY 85 -10.456 0.629 27.356 477 HA2 GLY 85 HA2 GLY 85 -12.880 1.115 25.703 478 HA3 GLY 85 HA3 GLY 85 -12.824 0.863 27.451 479 H ALA 86 H ALA 86 -10.440 3.040 27.151 480 HA ALA 86 HA ALA 86 -12.010 5.252 28.105 481 HB1 ALA 86 HB1 ALA 86 -9.709 4.767 28.839 482 HB2 ALA 86 HB2 ALA 86 -9.100 5.109 27.202 483 HB3 ALA 86 HB3 ALA 86 -9.836 6.403 28.173 484 H ASP 87 H ASP 87 -12.342 7.288 27.218 485 HA ASP 87 HA ASP 87 -11.888 7.826 24.345 486 HB2 ASP 87 HB3 ASP 87 -14.062 6.607 24.517 487 HB3 ASP 87 HB2 ASP 87 -14.654 7.841 25.628 488 H VAL 88 H VAL 88 -10.468 8.924 26.223 489 HA VAL 88 HA VAL 88 -11.420 11.149 27.679 490 HB VAL 88 HB VAL 88 -8.578 10.650 26.695 491 HG11 VAL 88 HG11 VAL 88 -7.951 11.959 28.708 492 HG12 VAL 88 HG12 VAL 88 -8.870 12.944 27.584 493 HG13 VAL 88 HG13 VAL 88 -9.660 12.289 29.039 494 HG21 VAL 88 HG21 VAL 88 -9.345 8.697 27.951 495 HG22 VAL 88 HG22 VAL 88 -8.259 9.651 28.967 496 HG23 VAL 88 HG23 VAL 88 -10.009 9.738 29.224 497 H LYS 89 H LYS 89 -11.825 13.178 27.205 498 HA LYS 89 HA LYS 89 -10.704 14.525 24.842 499 HB2 LYS 89 HB2 LYS 89 -12.640 13.543 24.021 500 HB3 LYS 89 HB3 LYS 89 -13.580 13.854 25.505 501 HG2 LYS 89 HG2 LYS 89 -13.649 16.261 24.968 502 HG3 LYS 89 HG3 LYS 89 -12.724 15.935 23.485 503 HD2 LYS 89 HD2 LYS 89 -14.508 14.104 23.003 504 HD3 LYS 89 HD3 LYS 89 -15.500 14.915 24.228 505 HE2 LYS 89 HE2 LYS 89 -15.340 17.028 22.894 506 HE3 LYS 89 HE3 LYS 89 -14.393 16.161 21.676 507 HZ1 LYS 89 HZ1 LYS 89 -16.330 14.714 21.308 508 HZ2 LYS 89 HZ2 LYS 89 -17.197 15.514 22.439 509 HZ3 LYS 89 HZ3 LYS 89 -16.747 16.273 21.068 510 H CYS 90 H CYS 90 -10.483 16.628 25.009 511 HA CYS 90 HA CYS 90 -9.689 17.645 27.446 512 HB2 CYS 90 HB3 CYS 90 -8.865 18.145 25.150 513 HB3 CYS 90 HB2 CYS 90 -10.249 18.989 24.777 514 H ASP 91 H ASP 91 -10.109 19.762 28.188 515 HA ASP 91 HA ASP 91 -12.944 20.624 28.518 516 HB2 ASP 91 HB3 ASP 91 -12.372 21.186 30.901 517 HB3 ASP 91 HB2 ASP 91 -12.451 19.492 30.508 518 H ILE 92 H ILE 92 -9.820 21.423 27.566 519 HA ILE 92 HA ILE 92 -10.060 24.250 28.241 520 HB ILE 92 HB ILE 92 -7.937 22.852 26.542 521 HG12 ILE 92 HG12 ILE 92 -7.863 23.585 29.509 522 HG13 ILE 92 HG13 ILE 92 -7.912 21.952 28.833 523 HG21 ILE 92 HG21 ILE 92 -6.616 24.895 26.842 524 HG22 ILE 92 HG22 ILE 92 -8.140 25.230 26.045 525 HG23 ILE 92 HG23 ILE 92 -7.947 25.630 27.771 526 HD11 ILE 92 HD11 ILE 92 -5.690 22.351 27.757 527 HD12 ILE 92 HD12 ILE 92 -5.596 23.905 28.625 528 HD13 ILE 92 HD13 ILE 92 -5.669 22.386 29.530 529 H CYS 93 H CYS 93 -9.633 22.168 25.288 530 HA CYS 93 HA CYS 93 -11.063 24.236 23.658 531 HB2 CYS 93 HB2 CYS 93 -9.701 23.504 21.789 532 HB3 CYS 93 HB3 CYS 93 -8.725 24.138 23.131 533 H HIS 94 H HIS 94 -11.468 21.339 25.103 534 HA HIS 94 HA HIS 94 -12.816 19.575 24.964 535 HB2 HIS 94 HB3 HIS 94 -14.514 21.368 23.219 536 HB3 HIS 94 HB2 HIS 94 -15.047 19.876 23.987 537 HD1 HIS 94 HD1 HIS 94 -14.285 23.508 24.883 538 HD2 HIS 94 HD2 HIS 94 -15.272 19.841 26.698 539 HE1 HIS 94 HE1 HIS 94 -14.921 24.051 27.292 540 H TYR 95 H TYR 95 -10.671 19.808 22.767 541 HA TYR 95 HA TYR 95 -11.734 18.063 20.685 542 HB2 TYR 95 HB2 TYR 95 -9.010 19.199 21.332 543 HB3 TYR 95 HB3 TYR 95 -9.114 17.812 20.291 544 HD1 TYR 95 HD2 TYR 95 -10.265 21.274 20.906 545 HD2 TYR 95 HD1 TYR 95 -9.832 18.152 18.008 546 HE1 TYR 95 HE2 TYR 95 -11.105 22.842 19.206 547 HE2 TYR 95 HE1 TYR 95 -10.717 19.708 16.218 548 HH TYR 95 HH TYR 95 -11.511 21.809 15.749 549 HA PRO 96 HA PRO 96 -10.973 14.186 22.845 550 HB2 PRO 96 HB3 PRO 96 -10.256 13.045 20.179 551 HB3 PRO 96 HB2 PRO 96 -11.469 12.481 21.381 552 HG2 PRO 96 HG3 PRO 96 -12.240 13.763 19.086 553 HG3 PRO 96 HG2 PRO 96 -13.052 14.083 20.665 554 HD2 PRO 96 HD3 PRO 96 -10.860 15.652 19.361 555 HD3 PRO 96 HD2 PRO 96 -12.428 16.247 19.995 556 H ILE 97 H ILE 97 -9.222 12.987 23.517 557 HA ILE 97 HA ILE 97 -6.564 14.158 22.802 558 HB ILE 97 HB ILE 97 -7.728 13.280 25.395 559 HG12 ILE 97 HG12 ILE 97 -7.323 15.917 24.017 560 HG13 ILE 97 HG13 ILE 97 -8.607 15.428 25.071 561 HG21 ILE 97 HG21 ILE 97 -5.865 13.669 26.637 562 HG22 ILE 97 HG22 ILE 97 -5.344 12.607 25.341 563 HG23 ILE 97 HG23 ILE 97 -4.959 14.345 25.305 564 HD11 ILE 97 HD11 ILE 97 -7.302 17.205 26.059 565 HD12 ILE 97 HD12 ILE 97 -7.113 15.720 27.013 566 HD13 ILE 97 HD13 ILE 97 -5.822 16.279 25.883 567 H GLN 98 H GLN 98 -4.954 12.951 22.354 568 HA GLN 98 HA GLN 98 -5.192 9.949 22.565 569 HB2 GLN 98 HB2 GLN 98 -3.960 9.706 20.479 570 HB3 GLN 98 HB3 GLN 98 -5.566 10.404 20.298 571 HG2 GLN 98 HG2 GLN 98 -4.634 12.626 19.946 572 HG3 GLN 98 HG3 GLN 98 -2.992 12.033 20.247 573 HE21 GLN 98 HE22 GLN 98 -2.147 10.380 18.707 574 HE22 GLN 98 HE21 GLN 98 -2.699 10.453 17.038 575 H PHE 99 H PHE 99 -3.721 8.964 23.673 576 HA PHE 99 HA PHE 99 -1.755 10.415 25.073 577 HB2 PHE 99 HB2 PHE 99 -1.809 7.405 24.973 578 HB3 PHE 99 HB3 PHE 99 -1.467 8.450 26.347 579 HD1 PHE 99 HD1 PHE 99 -3.544 10.074 27.016 580 HD2 PHE 99 HD2 PHE 99 -3.887 6.334 24.891 581 HE1 PHE 99 HE1 PHE 99 -5.958 9.949 27.603 582 HE2 PHE 99 HE2 PHE 99 -6.298 6.227 25.469 583 HZ PHE 99 HZ PHE 99 -7.341 8.048 26.794 584 H LYS 100 H LYS 100 -1.360 9.545 22.077 585 HA LYS 100 HA LYS 100 1.524 9.870 22.024 586 HB2 LYS 100 HB2 LYS 100 1.145 7.419 22.581 587 HB3 LYS 100 HB3 LYS 100 0.227 7.252 21.094 588 HG2 LYS 100 HG2 LYS 100 2.468 6.349 20.890 589 HG3 LYS 100 HG3 LYS 100 2.237 7.687 19.769 590 HD2 LYS 100 HD2 LYS 100 3.532 9.192 21.242 591 HD3 LYS 100 HD3 LYS 100 3.614 7.926 22.483 592 HE2 LYS 100 HE2 LYS 100 4.913 6.494 20.949 593 HE3 LYS 100 HE3 LYS 100 4.821 7.733 19.685 594 HZ1 LYS 100 HZ1 LYS 100 6.104 9.207 21.080 595 HZ2 LYS 100 HZ2 LYS 100 6.045 8.191 22.359 596 HZ3 LYS 100 HZ3 LYS 100 6.916 7.788 21.022 597 H THR 101 H THR 101 2.314 9.982 19.781 598 HA THR 101 HA THR 101 0.786 11.573 18.000 599 HB THR 101 HB THR 101 2.684 10.968 16.380 600 HG1 THR 101 HG1 THR 101 3.197 8.982 17.407 601 HG21 THR 101 HG21 THR 101 3.429 12.062 19.127 602 HG22 THR 101 HG22 THR 101 4.347 12.280 17.622 603 HG23 THR 101 HG23 THR 101 2.733 12.991 17.777 Start of MODEL 13 1 H1 VAL 19 H1 VAL 19 19.592 47.654 32.719 2 H2 VAL 19 H2 VAL 19 18.960 47.730 34.222 3 H3 VAL 19 H3 VAL 19 18.282 46.753 33.091 4 HA VAL 19 HA VAL 19 20.979 46.416 34.245 5 HB VAL 19 HB VAL 19 18.496 44.707 34.690 6 HG11 VAL 19 HG11 VAL 19 19.930 43.503 36.341 7 HG12 VAL 19 HG12 VAL 19 20.501 43.285 34.693 8 HG13 VAL 19 HG13 VAL 19 21.340 44.424 35.781 9 HG21 VAL 19 HG21 VAL 19 18.386 46.768 36.045 10 HG22 VAL 19 HG22 VAL 19 18.765 45.391 37.071 11 HG23 VAL 19 HG23 VAL 19 20.060 46.510 36.602 12 H ALA 20 H ALA 20 22.338 45.084 33.191 13 HA ALA 20 HA ALA 20 21.382 43.430 30.897 14 HB1 ALA 20 HB1 ALA 20 22.199 45.588 30.035 15 HB2 ALA 20 HB2 ALA 20 23.736 45.370 30.900 16 HB3 ALA 20 HB3 ALA 20 23.288 44.266 29.580 17 H ASN 21 H ASN 21 21.538 42.113 33.043 18 HA ASN 21 HA ASN 21 24.169 40.712 33.156 19 HB2 ASN 21 HB2 ASN 21 23.715 42.450 34.990 20 HB3 ASN 21 HB3 ASN 21 22.382 41.412 35.512 21 HD21 ASN 21 HD22 ASN 21 25.884 41.087 34.646 22 HD22 ASN 21 HD21 ASN 21 26.264 40.069 36.029 23 H GLU 22 H GLU 22 21.525 40.033 31.804 24 HA GLU 22 HA GLU 22 20.400 37.742 33.214 25 HB2 GLU 22 HB2 GLU 22 20.181 38.763 30.347 26 HB3 GLU 22 HB3 GLU 22 19.283 37.378 30.983 27 HG2 GLU 22 HG2 GLU 22 18.243 38.803 32.704 28 HG3 GLU 22 HG3 GLU 22 19.090 40.218 32.069 29 H GLU 23 H GLU 23 20.336 35.551 31.971 30 HA GLU 23 HA GLU 23 23.042 34.847 30.892 31 HB2 GLU 23 HB2 GLU 23 21.463 33.346 33.014 32 HB3 GLU 23 HB3 GLU 23 22.944 32.775 32.240 33 HG2 GLU 23 HG3 GLU 23 24.159 34.773 33.127 34 HG3 GLU 23 HG2 GLU 23 22.701 35.241 34.009 35 H THR 24 H THR 24 19.730 34.754 30.218 36 HA THR 24 HA THR 24 20.130 32.648 28.152 37 HB THR 24 HB THR 24 17.818 31.775 28.669 38 HG1 THR 24 HG1 THR 24 17.158 33.472 30.052 39 HG21 THR 24 HG21 THR 24 18.488 30.269 30.440 40 HG22 THR 24 HG22 THR 24 19.854 30.519 29.339 41 HG23 THR 24 HG23 THR 24 19.822 31.338 30.917 42 H ASP 25 H ASP 25 19.201 33.067 26.238 43 HA ASP 25 HA ASP 25 17.385 35.416 25.937 44 HB2 ASP 25 HB2 ASP 25 19.743 35.484 25.018 45 HB3 ASP 25 HB3 ASP 25 19.275 34.201 23.906 46 H THR 26 H THR 26 17.161 34.098 23.014 47 HA THR 26 HA THR 26 15.162 31.978 23.629 48 HB THR 26 HB THR 26 14.622 34.340 21.778 49 HG1 THR 26 HG1 THR 26 13.659 33.751 24.380 50 HG21 THR 26 HG21 THR 26 13.409 32.340 21.063 51 HG22 THR 26 HG22 THR 26 12.839 32.048 22.723 52 HG23 THR 26 HG23 THR 26 12.284 33.473 21.814 53 H ALA 27 H ALA 27 15.140 30.352 22.118 54 HA ALA 27 HA ALA 27 16.437 30.660 19.493 55 HB1 ALA 27 HB1 ALA 27 18.313 30.169 21.057 56 HB2 ALA 27 HB2 ALA 27 17.464 28.708 21.612 57 HB3 ALA 27 HB3 ALA 27 18.040 28.829 19.935 58 H THR 28 H THR 28 16.432 28.472 18.341 59 HA THR 28 HA THR 28 14.141 26.699 18.989 60 HB THR 28 HB THR 28 13.347 26.777 16.651 61 HG1 THR 28 HG1 THR 28 14.939 29.109 16.406 62 HG21 THR 28 HG21 THR 28 12.241 28.205 18.392 63 HG22 THR 28 HG22 THR 28 13.251 29.566 17.871 64 HG23 THR 28 HG23 THR 28 12.097 28.830 16.738 65 H PHE 29 H PHE 29 14.155 24.707 17.760 66 HA PHE 29 HA PHE 29 16.870 23.903 16.776 67 HB2 PHE 29 HB2 PHE 29 14.981 22.276 18.489 68 HB3 PHE 29 HB3 PHE 29 16.596 21.813 17.981 69 HD1 PHE 29 HD2 PHE 29 18.574 23.334 18.800 70 HD2 PHE 29 HD1 PHE 29 14.621 23.394 20.526 71 HE1 PHE 29 HE2 PHE 29 19.482 24.407 20.850 72 HE2 PHE 29 HE1 PHE 29 15.533 24.463 22.576 73 HZ PHE 29 HZ PHE 29 17.962 24.975 22.738 74 H ASN 30 H ASN 30 16.831 21.764 15.650 75 HA ASN 30 HA ASN 30 14.495 21.444 13.818 76 HB2 ASN 30 HB3 ASN 30 16.265 22.984 12.890 77 HB3 ASN 30 HB2 ASN 30 17.426 21.661 12.990 78 HD21 ASN 30 HD22 ASN 30 14.179 22.426 11.585 79 HD22 ASN 30 HD21 ASN 30 14.481 21.534 10.102 80 H ASP 31 H ASP 31 16.247 19.869 16.055 81 HA ASP 31 HA ASP 31 15.571 17.210 15.074 82 HB2 ASP 31 HB3 ASP 31 17.857 17.539 14.141 83 HB3 ASP 31 HB2 ASP 31 18.449 17.986 15.742 84 H ASP 32 H ASP 32 15.260 15.778 16.891 85 HA ASP 32 HA ASP 32 14.719 15.143 18.843 86 HB2 ASP 32 HB2 ASP 32 17.165 15.474 19.291 87 HB3 ASP 32 HB3 ASP 32 16.759 17.011 20.053 88 H ALA 33 H ALA 33 14.627 18.480 18.572 89 HA ALA 33 HA ALA 33 11.933 18.738 19.773 90 HB1 ALA 33 HB1 ALA 33 14.394 20.388 20.610 91 HB2 ALA 33 HB2 ALA 33 12.748 20.603 21.229 92 HB3 ALA 33 HB3 ALA 33 13.659 19.132 21.620 93 HA PRO 34 HA PRO 34 11.490 21.681 16.518 94 HB2 PRO 34 HB3 PRO 34 8.998 22.376 17.019 95 HB3 PRO 34 HB2 PRO 34 9.421 20.725 16.884 96 HG2 PRO 34 HG3 PRO 34 9.188 22.352 19.456 97 HG3 PRO 34 HG2 PRO 34 8.258 20.883 19.021 98 HD2 PRO 34 HD3 PRO 34 10.668 20.802 20.419 99 HD3 PRO 34 HD2 PRO 34 10.095 19.510 19.325 100 H SER 35 H SER 35 9.665 23.906 17.381 101 HA SER 35 HA SER 35 11.675 25.741 17.801 102 HB2 SER 35 HB2 SER 35 8.677 26.217 17.620 103 HB3 SER 35 HB3 SER 35 9.894 27.509 17.525 104 HG SER 35 HG SER 35 9.230 26.768 15.446 105 H GLY 36 H GLY 36 12.138 24.604 19.961 106 HA2 GLY 36 HA2 GLY 36 12.439 24.807 22.246 107 HA3 GLY 36 HA3 GLY 36 11.972 26.506 22.058 108 H ALA 37 H ALA 37 9.936 23.648 21.382 109 HA ALA 37 HA ALA 37 7.740 24.720 22.956 110 HB1 ALA 37 HB1 ALA 37 7.436 23.426 20.854 111 HB2 ALA 37 HB2 ALA 37 8.051 21.973 21.689 112 HB3 ALA 37 HB3 ALA 37 6.543 22.748 22.228 113 H THR 38 H THR 38 6.614 23.384 24.529 114 HA THR 38 HA THR 38 8.186 21.643 26.281 115 HB THR 38 HB THR 38 7.841 22.914 28.332 116 HG1 THR 38 HG1 THR 38 6.820 24.897 26.596 117 HG21 THR 38 HG21 THR 38 9.941 23.266 26.987 118 HG22 THR 38 HG22 THR 38 9.231 24.763 26.371 119 HG23 THR 38 HG23 THR 38 9.524 24.567 28.116 120 H CYS 39 H CYS 39 7.016 20.727 28.042 121 HA CYS 39 HA CYS 39 4.379 19.798 27.414 122 HB2 CYS 39 HB3 CYS 39 6.027 18.455 28.545 123 HB3 CYS 39 HB2 CYS 39 6.244 19.570 29.819 124 H ARG 40 H ARG 40 2.480 20.764 27.826 125 HA ARG 40 HA ARG 40 2.167 23.086 29.495 126 HB2 ARG 40 HB2 ARG 40 -0.067 23.098 28.828 127 HB3 ARG 40 HB3 ARG 40 0.804 22.376 27.487 128 HG2 ARG 40 HG2 ARG 40 -0.741 20.776 27.500 129 HG3 ARG 40 HG3 ARG 40 0.085 20.114 28.893 130 HD2 ARG 40 HD2 ARG 40 -1.455 21.067 30.432 131 HD3 ARG 40 HD3 ARG 40 -2.049 22.233 29.260 132 HE ARG 40 HE ARG 40 -3.101 19.621 29.701 133 HH11 ARG 40 HH22 ARG 40 -2.453 21.725 26.926 134 HH12 ARG 40 HH21 ARG 40 -3.967 21.298 26.189 135 HH21 ARG 40 HH12 ARG 40 -4.948 19.047 28.533 136 HH22 ARG 40 HH11 ARG 40 -5.258 19.835 27.009 137 H ILE 41 H ILE 41 2.496 19.920 30.396 138 HA ILE 41 HA ILE 41 0.854 20.075 32.849 139 HB ILE 41 HB ILE 41 2.484 17.800 31.735 140 HG12 ILE 41 HG12 ILE 41 -0.497 17.844 31.940 141 HG13 ILE 41 HG13 ILE 41 0.254 18.584 30.537 142 HG21 ILE 41 HG21 ILE 41 2.382 17.581 34.155 143 HG22 ILE 41 HG22 ILE 41 0.620 17.824 34.125 144 HG23 ILE 41 HG23 ILE 41 1.355 16.375 33.403 145 HD11 ILE 41 HD11 ILE 41 0.588 15.725 31.423 146 HD12 ILE 41 HD12 ILE 41 -0.465 16.285 30.143 147 HD13 ILE 41 HD13 ILE 41 1.295 16.456 29.952 148 H CYS 42 H CYS 42 4.427 19.639 31.912 149 HA CYS 42 HA CYS 42 4.920 20.736 34.714 150 HB2 CYS 42 HB2 CYS 42 6.708 19.232 35.006 151 HB3 CYS 42 HB3 CYS 42 5.279 18.305 34.510 152 H ARG 43 H ARG 43 5.276 21.782 31.605 153 HA ARG 43 HA ARG 43 6.479 23.304 30.583 154 HB2 ARG 43 HB3 ARG 43 6.832 24.284 33.424 155 HB3 ARG 43 HB2 ARG 43 7.432 25.197 32.046 156 HG2 ARG 43 HG3 ARG 43 4.535 24.277 32.190 157 HG3 ARG 43 HG2 ARG 43 5.076 25.774 32.936 158 HD2 ARG 43 HD2 ARG 43 5.527 25.164 29.979 159 HD3 ARG 43 HD3 ARG 43 4.087 25.964 30.597 160 HE ARG 43 HE ARG 43 5.500 27.756 31.512 161 HH11 ARG 43 HH12 ARG 43 6.965 25.945 28.835 162 HH12 ARG 43 HH11 ARG 43 8.109 27.221 28.554 163 HH21 ARG 43 HH22 ARG 43 6.974 29.298 31.022 164 HH22 ARG 43 HH21 ARG 43 8.099 29.054 29.720 165 H GLY 44 H GLY 44 7.704 20.852 30.960 166 HA2 GLY 44 HA2 GLY 44 10.624 21.527 30.907 167 HA3 GLY 44 HA3 GLY 44 9.938 19.907 31.025 168 H GLU 45 H GLU 45 11.818 21.170 29.050 169 HA GLU 45 HA GLU 45 10.507 21.379 26.447 170 HB2 GLU 45 HB2 GLU 45 13.390 20.797 27.244 171 HB3 GLU 45 HB3 GLU 45 12.851 21.169 25.607 172 HG2 GLU 45 HG2 GLU 45 12.134 23.404 26.278 173 HG3 GLU 45 HG3 GLU 45 12.570 23.084 27.959 174 H ALA 46 H ALA 46 11.140 20.009 24.689 175 HA ALA 46 HA ALA 46 10.364 17.206 25.066 176 HB1 ALA 46 HB1 ALA 46 10.007 18.123 22.843 177 HB2 ALA 46 HB2 ALA 46 11.705 18.626 22.725 178 HB3 ALA 46 HB3 ALA 46 11.283 16.904 22.719 179 H THR 47 H THR 47 11.644 15.447 25.607 180 HA THR 47 HA THR 47 14.600 15.965 25.863 181 HB THR 47 HB THR 47 14.764 14.510 27.683 182 HG1 THR 47 HG1 THR 47 12.957 13.437 28.530 183 HG21 THR 47 HG21 THR 47 12.249 16.080 28.243 184 HG22 THR 47 HG22 THR 47 13.485 15.518 29.399 185 HG23 THR 47 HG23 THR 47 13.898 16.767 28.201 186 H GLU 48 H GLU 48 15.922 14.080 25.860 187 HA GLU 48 HA GLU 48 15.771 12.766 23.456 188 HB2 GLU 48 HB2 GLU 48 17.210 11.957 26.014 189 HB3 GLU 48 HB3 GLU 48 17.591 11.264 24.431 190 HG2 GLU 48 HG2 GLU 48 18.203 13.530 23.588 191 HG3 GLU 48 HG3 GLU 48 17.906 14.200 25.195 192 H ASP 49 H ASP 49 14.050 11.763 26.342 193 HA ASP 49 HA ASP 49 13.375 9.158 25.092 194 HB2 ASP 49 HB3 ASP 49 13.732 9.913 28.019 195 HB3 ASP 49 HB2 ASP 49 12.960 8.430 27.469 196 H ASN 50 H ASN 50 12.261 12.247 26.341 197 HA ASN 50 HA ASN 50 9.545 11.404 25.772 198 HB2 ASN 50 HB3 ASN 50 10.473 11.926 28.322 199 HB3 ASN 50 HB2 ASN 50 10.292 13.574 27.815 200 HD21 ASN 50 HD22 ASN 50 8.883 13.462 29.737 201 HD22 ASN 50 HD21 ASN 50 7.297 12.843 29.432 202 HA PRO 51 HA PRO 51 10.253 14.875 22.887 203 HB2 PRO 51 HB3 PRO 51 8.805 12.720 21.340 204 HB3 PRO 51 HB2 PRO 51 9.957 13.961 20.734 205 HG2 PRO 51 HG3 PRO 51 11.016 11.538 21.197 206 HG3 PRO 51 HG2 PRO 51 11.699 13.054 21.973 207 HD2 PRO 51 HD3 PRO 51 10.003 11.037 23.398 208 HD3 PRO 51 HD2 PRO 51 11.627 11.673 23.709 209 H LEU 52 H LEU 52 8.725 16.133 22.406 210 HA LEU 52 HA LEU 52 6.043 15.784 23.616 211 HB2 LEU 52 HB2 LEU 52 7.237 18.261 22.336 212 HB3 LEU 52 HB3 LEU 52 5.675 18.163 23.126 213 HG LEU 52 HG LEU 52 8.098 17.318 24.679 214 HD11 LEU 52 HD11 LEU 52 7.175 20.195 24.515 215 HD12 LEU 52 HD12 LEU 52 8.482 19.503 25.516 216 HD13 LEU 52 HD13 LEU 52 8.663 19.579 23.764 217 HD21 LEU 52 HD21 LEU 52 5.485 18.629 25.446 218 HD22 LEU 52 HD22 LEU 52 5.991 16.929 25.667 219 HD23 LEU 52 HD23 LEU 52 6.812 18.212 26.551 220 H PHE 53 H PHE 53 4.275 16.989 22.244 221 HA PHE 53 HA PHE 53 3.969 16.598 19.515 222 HB2 PHE 53 HB2 PHE 53 2.824 14.588 19.179 223 HB3 PHE 53 HB3 PHE 53 4.180 14.085 20.145 224 HD1 PHE 53 HD1 PHE 53 3.662 14.151 22.858 225 HD2 PHE 53 HD2 PHE 53 0.748 13.723 19.704 226 HE1 PHE 53 HE1 PHE 53 2.053 13.180 24.473 227 HE2 PHE 53 HE2 PHE 53 -0.830 12.699 21.308 228 HZ PHE 53 HZ PHE 53 -0.207 12.468 23.693 229 H HIS 54 H HIS 54 1.468 16.501 18.998 230 HA HIS 54 HA HIS 54 0.013 18.113 21.033 231 HB2 HIS 54 HB2 HIS 54 -1.155 19.160 19.109 232 HB3 HIS 54 HB3 HIS 54 0.543 19.512 19.294 233 HD1 HIS 54 HD1 HIS 54 -1.032 16.574 17.301 234 HD2 HIS 54 HD2 HIS 54 1.406 19.969 16.902 235 HE1 HIS 54 HE1 HIS 54 -0.204 16.580 14.871 236 HA PRO 55 HA PRO 55 -2.528 14.249 20.867 237 HB2 PRO 55 HB3 PRO 55 -3.751 14.573 23.330 238 HB3 PRO 55 HB2 PRO 55 -2.154 13.935 23.241 239 HG2 PRO 55 HG3 PRO 55 -3.009 16.806 23.667 240 HG3 PRO 55 HG2 PRO 55 -1.926 15.849 24.608 241 HD2 PRO 55 HD3 PRO 55 -0.966 17.566 22.760 242 HD3 PRO 55 HD2 PRO 55 -0.191 15.956 22.905 243 H CYS 56 H CYS 56 -3.269 17.501 21.767 244 HA CYS 56 HA CYS 56 -6.037 17.405 20.871 245 HB2 CYS 56 HB3 CYS 56 -5.411 17.272 23.386 246 HB3 CYS 56 HB2 CYS 56 -5.182 19.019 23.178 247 H LYS 57 H LYS 57 -6.773 19.938 20.915 248 HA LYS 57 HA LYS 57 -4.781 21.635 19.471 249 HB2 LYS 57 HB2 LYS 57 -7.715 21.080 19.141 250 HB3 LYS 57 HB3 LYS 57 -6.977 22.460 18.315 251 HG2 LYS 57 HG2 LYS 57 -5.876 19.656 18.078 252 HG3 LYS 57 HG3 LYS 57 -7.151 20.260 16.989 253 HD2 LYS 57 HD2 LYS 57 -5.528 22.202 16.550 254 HD3 LYS 57 HD3 LYS 57 -4.283 21.218 17.343 255 HE2 LYS 57 HE3 LYS 57 -4.702 19.370 15.741 256 HE3 LYS 57 HE2 LYS 57 -5.951 20.332 14.942 257 HZ1 LYS 57 HZ1 LYS 57 -3.845 20.477 13.756 258 HZ2 LYS 57 HZ2 LYS 57 -4.226 21.950 14.341 259 HZ3 LYS 57 HZ3 LYS 57 -3.069 21.050 15.070 260 H CYS 58 H CYS 58 -5.060 21.642 22.253 261 HA CYS 58 HA CYS 58 -6.523 23.649 23.416 262 HB2 CYS 58 HB2 CYS 58 -3.672 22.902 24.129 263 HB3 CYS 58 HB3 CYS 58 -4.935 23.533 25.200 264 H ARG 59 H ARG 59 -4.295 24.476 20.901 265 HA ARG 59 HA ARG 59 -3.403 26.232 20.153 266 HB2 ARG 59 HB2 ARG 59 -5.850 26.916 20.662 267 HB3 ARG 59 HB3 ARG 59 -5.153 27.981 21.883 268 HG2 ARG 59 HG2 ARG 59 -3.960 29.243 20.178 269 HG3 ARG 59 HG3 ARG 59 -4.236 27.977 18.970 270 HD2 ARG 59 HD2 ARG 59 -5.676 29.814 18.484 271 HD3 ARG 59 HD3 ARG 59 -6.656 28.440 19.021 272 HE ARG 59 HE ARG 59 -6.076 30.096 21.281 273 HH11 ARG 59 HH11 ARG 59 -8.025 30.272 18.374 274 HH12 ARG 59 HH12 ARG 59 -9.162 31.380 19.093 275 HH21 ARG 59 HH22 ARG 59 -7.566 31.508 22.138 276 HH22 ARG 59 HH21 ARG 59 -8.901 32.057 21.168 277 H GLY 60 H GLY 60 -2.361 28.532 20.721 278 HA2 GLY 60 HA2 GLY 60 -0.360 29.395 21.459 279 HA3 GLY 60 HA3 GLY 60 -1.106 29.185 23.036 280 H SER 61 H SER 61 0.896 28.928 24.017 281 HA SER 61 HA SER 61 2.807 26.858 23.311 282 HB2 SER 61 HB2 SER 61 2.524 28.460 25.884 283 HB3 SER 61 HB3 SER 61 3.955 27.560 25.346 284 HG SER 61 HG SER 61 4.107 29.806 24.869 285 H ILE 62 H ILE 62 -0.238 26.454 24.706 286 HA ILE 62 HA ILE 62 0.607 24.358 26.620 287 HB ILE 62 HB ILE 62 -1.756 24.399 27.352 288 HG12 ILE 62 HG12 ILE 62 -2.067 26.803 25.502 289 HG13 ILE 62 HG13 ILE 62 -2.650 25.172 25.116 290 HG21 ILE 62 HG21 ILE 62 -0.446 27.152 27.387 291 HG22 ILE 62 HG22 ILE 62 -1.602 26.499 28.563 292 HG23 ILE 62 HG23 ILE 62 0.010 25.790 28.431 293 HD11 ILE 62 HD11 ILE 62 -4.434 26.550 25.901 294 HD12 ILE 62 HD12 ILE 62 -4.143 25.192 27.003 295 HD13 ILE 62 HD13 ILE 62 -3.603 26.843 27.443 296 H LYS 63 H LYS 63 -0.070 24.407 23.395 297 HA LYS 63 HA LYS 63 -1.711 21.972 23.271 298 HB2 LYS 63 HB2 LYS 63 -1.956 22.362 21.020 299 HB3 LYS 63 HB3 LYS 63 -1.810 23.981 21.704 300 HG2 LYS 63 HG2 LYS 63 0.628 23.987 21.004 301 HG3 LYS 63 HG3 LYS 63 0.344 22.422 20.225 302 HD2 LYS 63 HD2 LYS 63 -1.562 23.591 18.917 303 HD3 LYS 63 HD3 LYS 63 -0.844 25.116 19.486 304 HE2 LYS 63 HE2 LYS 63 1.374 24.324 18.546 305 HE3 LYS 63 HE3 LYS 63 0.548 22.885 17.923 306 HZ1 LYS 63 HZ1 LYS 63 -0.057 25.691 17.128 307 HZ2 LYS 63 HZ2 LYS 63 0.745 24.607 16.215 308 HZ3 LYS 63 HZ3 LYS 63 -0.833 24.372 16.551 309 H TYR 64 H TYR 64 1.285 22.139 24.188 310 HA TYR 64 HA TYR 64 2.140 19.624 22.845 311 HB2 TYR 64 HB3 TYR 64 3.740 22.083 23.272 312 HB3 TYR 64 HB2 TYR 64 4.484 20.590 23.848 313 HD1 TYR 64 HD1 TYR 64 2.316 20.782 20.751 314 HD2 TYR 64 HD2 TYR 64 6.255 20.424 22.448 315 HE1 TYR 64 HE1 TYR 64 3.205 20.039 18.556 316 HE2 TYR 64 HE2 TYR 64 7.135 19.631 20.303 317 HH TYR 64 HH TYR 64 5.045 19.316 17.378 318 H MET 65 H MET 65 2.961 18.023 24.110 319 HA MET 65 HA MET 65 2.743 18.176 27.071 320 HB2 MET 65 HB2 MET 65 0.769 16.668 25.277 321 HB3 MET 65 HB3 MET 65 1.028 16.242 26.971 322 HG2 MET 65 HG2 MET 65 0.255 18.362 27.735 323 HG3 MET 65 HG3 MET 65 0.179 19.006 26.092 324 HE1 MET 65 HE1 MET 65 -1.441 16.064 28.228 325 HE2 MET 65 HE2 MET 65 -1.854 17.642 28.944 326 HE3 MET 65 HE3 MET 65 -3.116 16.655 28.174 327 H HIS 66 H HIS 66 3.891 16.591 28.078 328 HA HIS 66 HA HIS 66 5.694 14.891 26.568 329 HB2 HIS 66 HB3 HIS 66 4.939 15.500 29.347 330 HB3 HIS 66 HB2 HIS 66 5.652 14.069 29.295 331 HD2 HIS 66 HD2 HIS 66 7.897 15.611 26.909 332 HE1 HIS 66 HE1 HIS 66 8.578 18.253 30.151 333 HE2 HIS 66 HE2 HIS 66 9.547 17.397 27.926 334 H GLU 67 H GLU 67 5.687 12.726 26.343 335 HA GLU 67 HA GLU 67 3.086 11.408 26.179 336 HB2 GLU 67 HB2 GLU 67 5.228 11.296 24.579 337 HB3 GLU 67 HB3 GLU 67 5.655 9.940 25.633 338 HG2 GLU 67 HG3 GLU 67 3.407 8.917 25.113 339 HG3 GLU 67 HG2 GLU 67 3.057 10.285 24.060 340 H SER 68 H SER 68 4.588 11.963 28.829 341 HA SER 68 HA SER 68 3.876 9.346 30.128 342 HB2 SER 68 HB3 SER 68 6.363 9.547 29.956 343 HB3 SER 68 HB2 SER 68 6.280 11.075 30.857 344 HG SER 68 HG SER 68 6.717 9.232 32.201 345 H CYS 69 H CYS 69 4.346 12.907 30.449 346 HA CYS 69 HA CYS 69 2.937 13.348 32.866 347 HB2 CYS 69 HB3 CYS 69 3.235 14.926 30.298 348 HB3 CYS 69 HB2 CYS 69 2.674 15.567 31.670 349 H LEU 70 H LEU 70 1.839 13.284 29.431 350 HA LEU 70 HA LEU 70 -0.886 13.943 29.896 351 HB2 LEU 70 HB2 LEU 70 0.015 13.982 27.677 352 HB3 LEU 70 HB3 LEU 70 0.503 12.284 27.757 353 HG LEU 70 HG LEU 70 -1.915 11.610 27.824 354 HD11 LEU 70 HD11 LEU 70 -2.772 13.875 28.694 355 HD12 LEU 70 HD12 LEU 70 -2.521 14.464 27.017 356 HD13 LEU 70 HD13 LEU 70 -3.640 13.129 27.354 357 HD21 LEU 70 HD21 LEU 70 -0.696 11.665 25.714 358 HD22 LEU 70 HD22 LEU 70 -2.395 12.130 25.480 359 HD23 LEU 70 HD23 LEU 70 -1.140 13.384 25.492 360 H LEU 71 H LEU 71 0.761 10.814 29.859 361 HA LEU 71 HA LEU 71 -1.488 9.171 30.211 362 HB2 LEU 71 HB2 LEU 71 1.494 8.936 30.455 363 HB3 LEU 71 HB3 LEU 71 0.580 7.714 31.281 364 HG LEU 71 HG LEU 71 -0.581 7.122 29.167 365 HD11 LEU 71 HD11 LEU 71 1.226 9.219 27.885 366 HD12 LEU 71 HD12 LEU 71 0.290 8.002 26.999 367 HD13 LEU 71 HD13 LEU 71 -0.553 9.238 27.935 368 HD21 LEU 71 HD21 LEU 71 2.451 7.211 28.899 369 HD22 LEU 71 HD22 LEU 71 1.520 5.990 29.798 370 HD23 LEU 71 HD23 LEU 71 1.352 6.113 28.038 371 H GLU 72 H GLU 72 0.122 11.172 32.522 372 HA GLU 72 HA GLU 72 -1.261 9.944 34.872 373 HB2 GLU 72 HB2 GLU 72 0.732 12.246 34.727 374 HB3 GLU 72 HB3 GLU 72 0.054 11.542 36.189 375 HG2 GLU 72 HG2 GLU 72 1.831 10.080 34.182 376 HG3 GLU 72 HG3 GLU 72 2.390 10.814 35.672 377 H TRP 73 H TRP 73 -1.058 12.996 32.984 378 HA TRP 73 HA TRP 73 -2.829 14.598 34.489 379 HB2 TRP 73 HB2 TRP 73 -1.358 15.363 32.670 380 HB3 TRP 73 HB3 TRP 73 -2.340 14.491 31.504 381 HD1 TRP 73 HD1 TRP 73 -2.404 17.647 33.682 382 HE1 TRP 73 HE1 TRP 73 -4.233 19.243 32.817 383 HE3 TRP 73 HE3 TRP 73 -4.578 14.583 30.241 384 HZ2 TRP 73 HZ2 TRP 73 -6.318 19.218 30.799 385 HZ3 TRP 73 HZ3 TRP 73 -6.585 15.324 28.976 386 HH2 TRP 73 HH2 TRP 73 -7.424 17.653 29.201 387 H VAL 74 H VAL 74 -3.617 12.358 31.765 388 HA VAL 74 HA VAL 74 -6.513 12.797 31.926 389 HB VAL 74 HB VAL 74 -6.744 10.825 30.545 390 HG11 VAL 74 HG11 VAL 74 -4.264 12.326 29.652 391 HG12 VAL 74 HG12 VAL 74 -5.338 11.384 28.627 392 HG13 VAL 74 HG13 VAL 74 -5.936 12.859 29.422 393 HG21 VAL 74 HG21 VAL 74 -5.269 9.197 31.523 394 HG22 VAL 74 HG22 VAL 74 -4.744 9.450 29.859 395 HG23 VAL 74 HG23 VAL 74 -3.838 10.185 31.193 396 H ALA 75 H ALA 75 -4.296 10.828 33.768 397 HA ALA 75 HA ALA 75 -6.325 9.025 34.815 398 HB1 ALA 75 HB1 ALA 75 -4.649 8.248 36.332 399 HB2 ALA 75 HB2 ALA 75 -3.863 8.512 34.764 400 HB3 ALA 75 HB3 ALA 75 -3.639 9.676 36.089 401 H SER 76 H SER 76 -4.989 12.184 35.899 402 HA SER 76 HA SER 76 -6.508 12.202 38.368 403 HB2 SER 76 HB2 SER 76 -5.814 14.413 38.711 404 HB3 SER 76 HB3 SER 76 -4.449 13.538 38.008 405 HG SER 76 HG SER 76 -4.670 15.549 37.046 406 H LYS 77 H LYS 77 -7.521 12.817 35.087 407 HA LYS 77 HA LYS 77 -9.904 14.388 35.675 408 HB2 LYS 77 HB3 LYS 77 -9.042 12.720 33.252 409 HB3 LYS 77 HB2 LYS 77 -10.269 13.911 33.277 410 HG2 LYS 77 HG2 LYS 77 -7.356 14.348 33.475 411 HG3 LYS 77 HG3 LYS 77 -8.380 14.812 32.148 412 HD2 LYS 77 HD3 LYS 77 -9.363 16.606 33.412 413 HD3 LYS 77 HD2 LYS 77 -8.635 16.059 34.933 414 HE2 LYS 77 HE2 LYS 77 -7.012 16.917 32.527 415 HE3 LYS 77 HE3 LYS 77 -7.514 18.034 33.803 416 HZ1 LYS 77 HZ1 LYS 77 -6.305 16.657 35.412 417 HZ2 LYS 77 HZ2 LYS 77 -5.861 15.597 34.269 418 HZ3 LYS 77 HZ3 LYS 77 -5.284 17.127 34.219 419 H ASN 78 H ASN 78 -9.273 11.418 36.695 420 HA ASN 78 HA ASN 78 -10.529 9.673 37.424 421 HB2 ASN 78 HB3 ASN 78 -11.778 11.218 38.597 422 HB3 ASN 78 HB2 ASN 78 -12.569 11.884 37.210 423 HD21 ASN 78 HD22 ASN 78 -14.565 11.435 36.956 424 HD22 ASN 78 HD21 ASN 78 -15.419 10.028 37.603 425 H ILE 79 H ILE 79 -9.581 9.437 34.959 426 HA ILE 79 HA ILE 79 -11.553 7.662 33.633 427 HB ILE 79 HB ILE 79 -9.730 9.308 31.887 428 HG12 ILE 79 HG12 ILE 79 -12.328 10.381 33.059 429 HG13 ILE 79 HG13 ILE 79 -10.712 11.070 33.109 430 HG21 ILE 79 HG21 ILE 79 -11.476 8.840 30.223 431 HG22 ILE 79 HG22 ILE 79 -10.997 7.346 31.013 432 HG23 ILE 79 HG23 ILE 79 -12.521 8.140 31.477 433 HD11 ILE 79 HD11 ILE 79 -10.739 11.519 30.709 434 HD12 ILE 79 HD12 ILE 79 -12.410 10.892 30.610 435 HD13 ILE 79 HD13 ILE 79 -12.050 12.330 31.576 436 H ASP 80 H ASP 80 -10.645 5.787 32.809 437 HA ASP 80 HA ASP 80 -7.707 5.384 33.227 438 HB2 ASP 80 HB2 ASP 80 -8.987 4.195 34.888 439 HB3 ASP 80 HB3 ASP 80 -9.997 3.449 33.644 440 H ILE 81 H ILE 81 -6.903 5.685 31.279 441 HA ILE 81 HA ILE 81 -8.032 4.896 28.779 442 HB ILE 81 HB ILE 81 -5.855 5.427 27.830 443 HG12 ILE 81 HG12 ILE 81 -4.842 5.851 30.683 444 HG13 ILE 81 HG13 ILE 81 -4.414 4.476 29.661 445 HG21 ILE 81 HG21 ILE 81 -5.889 7.772 28.404 446 HG22 ILE 81 HG22 ILE 81 -7.544 7.150 28.439 447 HG23 ILE 81 HG23 ILE 81 -6.675 7.443 29.962 448 HD11 ILE 81 HD11 ILE 81 -3.737 7.386 29.105 449 HD12 ILE 81 HD12 ILE 81 -2.637 6.080 29.564 450 HD13 ILE 81 HD13 ILE 81 -3.438 6.040 27.980 451 H SER 82 H SER 82 -6.483 2.943 31.148 452 HA SER 82 HA SER 82 -5.314 0.998 29.385 453 HB2 SER 82 HB2 SER 82 -4.775 1.360 31.827 454 HB3 SER 82 HB3 SER 82 -6.326 0.597 32.225 455 HG SER 82 HG SER 82 -4.536 -0.875 32.256 456 H LYS 83 H LYS 83 -8.592 1.617 30.406 457 HA LYS 83 HA LYS 83 -9.559 -1.015 29.348 458 HB2 LYS 83 HB2 LYS 83 -10.768 0.979 31.307 459 HB3 LYS 83 HB3 LYS 83 -11.715 -0.294 30.536 460 HG2 LYS 83 HG2 LYS 83 -10.002 -1.974 31.416 461 HG3 LYS 83 HG3 LYS 83 -9.324 -0.671 32.394 462 HD2 LYS 83 HD2 LYS 83 -12.207 -1.674 32.480 463 HD3 LYS 83 HD3 LYS 83 -10.953 -2.150 33.614 464 HE2 LYS 83 HE2 LYS 83 -11.896 0.731 33.251 465 HE3 LYS 83 HE3 LYS 83 -12.595 -0.395 34.415 466 HZ1 LYS 83 HZ1 LYS 83 -9.766 0.530 34.406 467 HZ2 LYS 83 HZ2 LYS 83 -10.914 0.910 35.497 468 HZ3 LYS 83 HZ3 LYS 83 -10.361 -0.621 35.415 469 HA PRO 84 HA PRO 84 -11.389 1.174 25.947 470 HB2 PRO 84 HB3 PRO 84 -13.069 -0.694 24.899 471 HB3 PRO 84 HB2 PRO 84 -11.302 -0.931 24.995 472 HG2 PRO 84 HG3 PRO 84 -13.404 -1.907 26.971 473 HG3 PRO 84 HG2 PRO 84 -12.144 -2.882 26.145 474 HD2 PRO 84 HD3 PRO 84 -11.791 -1.842 28.656 475 HD3 PRO 84 HD2 PRO 84 -10.441 -2.004 27.494 476 H GLY 85 H GLY 85 -12.526 1.670 28.588 477 HA2 GLY 85 HA3 GLY 85 -15.355 2.450 27.945 478 HA3 GLY 85 HA2 GLY 85 -14.716 2.176 29.571 479 H ALA 86 H ALA 86 -12.237 3.694 28.003 480 HA ALA 86 HA ALA 86 -12.632 6.217 29.333 481 HB1 ALA 86 HB1 ALA 86 -10.602 5.358 27.222 482 HB2 ALA 86 HB2 ALA 86 -10.472 6.772 28.290 483 HB3 ALA 86 HB3 ALA 86 -10.432 5.142 28.978 484 H ASP 87 H ASP 87 -12.761 8.293 28.420 485 HA ASP 87 HA ASP 87 -13.534 8.725 25.615 486 HB2 ASP 87 HB2 ASP 87 -15.645 8.073 26.800 487 HB3 ASP 87 HB3 ASP 87 -15.413 9.414 27.918 488 H VAL 88 H VAL 88 -11.229 9.415 26.751 489 HA VAL 88 HA VAL 88 -11.127 11.870 28.185 490 HB VAL 88 HB VAL 88 -8.887 10.741 26.488 491 HG11 VAL 88 HG11 VAL 88 -8.847 12.386 29.063 492 HG12 VAL 88 HG12 VAL 88 -7.471 11.890 28.056 493 HG13 VAL 88 HG13 VAL 88 -8.607 13.073 27.442 494 HG21 VAL 88 HG21 VAL 88 -9.637 8.927 27.974 495 HG22 VAL 88 HG22 VAL 88 -8.111 9.599 28.549 496 HG23 VAL 88 HG23 VAL 88 -9.620 10.036 29.362 497 H LYS 89 H LYS 89 -11.890 13.713 27.443 498 HA LYS 89 HA LYS 89 -10.757 14.937 25.022 499 HB2 LYS 89 HB2 LYS 89 -12.725 13.991 24.212 500 HB3 LYS 89 HB3 LYS 89 -13.647 14.332 25.698 501 HG2 LYS 89 HG2 LYS 89 -13.687 16.734 25.113 502 HG3 LYS 89 HG3 LYS 89 -12.775 16.364 23.632 503 HD2 LYS 89 HD2 LYS 89 -14.589 14.531 23.223 504 HD3 LYS 89 HD3 LYS 89 -15.563 15.413 24.414 505 HE2 LYS 89 HE2 LYS 89 -15.325 17.466 22.975 506 HE3 LYS 89 HE3 LYS 89 -14.435 16.488 21.796 507 HZ1 LYS 89 HZ1 LYS 89 -17.254 16.016 22.631 508 HZ2 LYS 89 HZ2 LYS 89 -16.790 16.667 21.210 509 HZ3 LYS 89 HZ3 LYS 89 -16.439 15.108 21.542 510 H CYS 90 H CYS 90 -10.413 16.991 25.141 511 HA CYS 90 HA CYS 90 -9.767 18.131 27.592 512 HB2 CYS 90 HB3 CYS 90 -8.630 18.435 25.471 513 HB3 CYS 90 HB2 CYS 90 -9.937 19.150 24.720 514 H ASP 91 H ASP 91 -10.210 20.325 28.211 515 HA ASP 91 HA ASP 91 -13.065 21.202 28.133 516 HB2 ASP 91 HB3 ASP 91 -13.019 21.762 30.411 517 HB3 ASP 91 HB2 ASP 91 -12.287 20.170 30.322 518 H ILE 92 H ILE 92 -9.875 21.940 27.378 519 HA ILE 92 HA ILE 92 -10.095 24.817 27.775 520 HB ILE 92 HB ILE 92 -7.905 23.247 26.335 521 HG12 ILE 92 HG12 ILE 92 -8.012 24.172 29.247 522 HG13 ILE 92 HG13 ILE 92 -8.062 22.501 28.679 523 HG21 ILE 92 HG21 ILE 92 -8.019 25.589 25.677 524 HG22 ILE 92 HG22 ILE 92 -7.932 26.096 27.384 525 HG23 ILE 92 HG23 ILE 92 -6.563 25.273 26.596 526 HD11 ILE 92 HD11 ILE 92 -5.766 22.826 27.680 527 HD12 ILE 92 HD12 ILE 92 -5.696 24.383 28.550 528 HD13 ILE 92 HD13 ILE 92 -5.856 22.872 29.453 529 H CYS 93 H CYS 93 -9.524 22.497 25.013 530 HA CYS 93 HA CYS 93 -10.749 24.515 23.153 531 HB2 CYS 93 HB2 CYS 93 -9.344 23.437 21.422 532 HB3 CYS 93 HB3 CYS 93 -8.406 24.069 22.766 533 H HIS 94 H HIS 94 -11.381 21.697 24.780 534 HA HIS 94 HA HIS 94 -12.883 20.056 24.728 535 HB2 HIS 94 HB2 HIS 94 -14.424 21.836 22.833 536 HB3 HIS 94 HB3 HIS 94 -15.057 20.407 23.640 537 HD1 HIS 94 HD1 HIS 94 -14.073 24.016 24.456 538 HD2 HIS 94 HD2 HIS 94 -15.474 20.503 26.302 539 HE1 HIS 94 HE1 HIS 94 -14.818 24.689 26.801 540 H TYR 95 H TYR 95 -10.629 19.995 22.693 541 HA TYR 95 HA TYR 95 -11.694 18.185 20.650 542 HB2 TYR 95 HB2 TYR 95 -8.947 19.244 21.342 543 HB3 TYR 95 HB3 TYR 95 -9.068 17.834 20.364 544 HD1 TYR 95 HD1 TYR 95 -10.359 21.315 20.718 545 HD2 TYR 95 HD2 TYR 95 -9.414 18.139 17.986 546 HE1 TYR 95 HE1 TYR 95 -10.830 22.848 18.854 547 HE2 TYR 95 HE2 TYR 95 -9.904 19.663 16.063 548 HH TYR 95 HH TYR 95 -10.545 21.766 15.411 549 HA PRO 96 HA PRO 96 -10.925 14.438 23.079 550 HB2 PRO 96 HB3 PRO 96 -10.368 13.053 20.507 551 HB3 PRO 96 HB2 PRO 96 -11.621 12.692 21.746 552 HG2 PRO 96 HG3 PRO 96 -12.280 13.803 19.327 553 HG3 PRO 96 HG2 PRO 96 -13.103 14.250 20.870 554 HD2 PRO 96 HD3 PRO 96 -10.861 15.685 19.486 555 HD3 PRO 96 HD2 PRO 96 -12.424 16.347 20.067 556 H ILE 97 H ILE 97 -9.146 13.180 23.627 557 HA ILE 97 HA ILE 97 -6.528 14.374 22.749 558 HB ILE 97 HB ILE 97 -7.493 13.286 25.355 559 HG12 ILE 97 HG13 ILE 97 -7.606 15.965 24.177 560 HG13 ILE 97 HG12 ILE 97 -8.343 15.368 25.597 561 HG21 ILE 97 HG21 ILE 97 -5.575 13.687 26.495 562 HG22 ILE 97 HG22 ILE 97 -5.130 12.681 25.123 563 HG23 ILE 97 HG23 ILE 97 -4.750 14.424 25.130 564 HD11 ILE 97 HD11 ILE 97 -7.025 17.285 26.092 565 HD12 ILE 97 HD12 ILE 97 -6.316 15.884 26.907 566 HD13 ILE 97 HD13 ILE 97 -5.558 16.532 25.437 567 H GLN 98 H GLN 98 -4.858 13.160 22.271 568 HA GLN 98 HA GLN 98 -5.294 10.212 21.831 569 HB2 GLN 98 HB2 GLN 98 -3.578 12.243 20.343 570 HB3 GLN 98 HB3 GLN 98 -3.700 10.530 19.943 571 HG2 GLN 98 HG3 GLN 98 -5.968 10.738 19.216 572 HG3 GLN 98 HG2 GLN 98 -6.159 12.334 19.941 573 HE21 GLN 98 HE22 GLN 98 -4.998 14.179 19.008 574 HE22 GLN 98 HE21 GLN 98 -4.555 14.106 17.301 575 H PHE 99 H PHE 99 -4.127 8.872 23.026 576 HA PHE 99 HA PHE 99 -1.940 9.884 24.626 577 HB2 PHE 99 HB2 PHE 99 -2.635 6.969 24.530 578 HB3 PHE 99 HB3 PHE 99 -2.192 7.968 25.909 579 HD1 PHE 99 HD1 PHE 99 -4.020 10.065 26.219 580 HD2 PHE 99 HD2 PHE 99 -4.816 6.151 24.584 581 HE1 PHE 99 HE1 PHE 99 -6.447 10.399 26.584 582 HE2 PHE 99 HE2 PHE 99 -7.241 6.474 24.992 583 HZ PHE 99 HZ PHE 99 -8.065 8.605 25.957 584 H LYS 100 H LYS 100 -1.903 8.896 21.632 585 HA LYS 100 HA LYS 100 0.969 8.632 21.357 586 HB2 LYS 100 HB2 LYS 100 -0.060 6.284 22.050 587 HB3 LYS 100 HB3 LYS 100 -0.771 6.293 20.444 588 HG2 LYS 100 HG3 LYS 100 1.201 5.060 20.207 589 HG3 LYS 100 HG2 LYS 100 1.629 6.650 19.562 590 HD2 LYS 100 HD2 LYS 100 2.664 7.210 21.807 591 HD3 LYS 100 HD3 LYS 100 2.271 5.568 22.349 592 HE2 LYS 100 HE2 LYS 100 3.650 4.678 20.423 593 HE3 LYS 100 HE3 LYS 100 4.111 6.345 20.045 594 HZ1 LYS 100 HZ1 LYS 100 5.799 5.365 21.434 595 HZ2 LYS 100 HZ2 LYS 100 5.024 6.487 22.352 596 HZ3 LYS 100 HZ3 LYS 100 4.718 4.899 22.567 597 H THR 101 H THR 101 1.587 8.840 19.115 598 HA THR 101 HA THR 101 -0.486 9.199 17.033 599 HB THR 101 HB THR 101 0.611 11.299 16.248 600 HG1 THR 101 HG1 THR 101 1.908 12.411 17.631 601 HG21 THR 101 HG21 THR 101 -0.568 12.795 17.742 602 HG22 THR 101 HG22 THR 101 -1.541 11.337 17.504 603 HG23 THR 101 HG23 THR 101 -0.634 11.558 19.015 Start of MODEL 14 1 H1 VAL 19 H1 VAL 19 -10.937 -2.485 15.992 2 H2 VAL 19 H2 VAL 19 -11.458 -2.400 17.545 3 H3 VAL 19 H3 VAL 19 -11.240 -3.852 16.835 4 HA VAL 19 HA VAL 19 -8.888 -3.553 16.692 5 HB VAL 19 HB VAL 19 -8.800 -1.196 16.328 6 HG11 VAL 19 HG11 VAL 19 -9.010 0.494 18.084 7 HG12 VAL 19 HG12 VAL 19 -10.554 -0.318 17.828 8 HG13 VAL 19 HG13 VAL 19 -9.554 -0.725 19.246 9 HG21 VAL 19 HG21 VAL 19 -7.281 -1.771 18.902 10 HG22 VAL 19 HG22 VAL 19 -6.805 -2.362 17.292 11 HG23 VAL 19 HG23 VAL 19 -6.863 -0.625 17.621 12 H ALA 20 H ALA 20 -7.850 -4.801 18.125 13 HA ALA 20 HA ALA 20 -8.545 -4.692 20.999 14 HB1 ALA 20 HB1 ALA 20 -9.049 -7.108 21.046 15 HB2 ALA 20 HB2 ALA 20 -10.143 -6.281 19.929 16 HB3 ALA 20 HB3 ALA 20 -8.771 -7.218 19.293 17 H ASN 21 H ASN 21 -6.080 -4.189 19.238 18 HA ASN 21 HA ASN 21 -4.124 -5.516 21.006 19 HB2 ASN 21 HB2 ASN 21 -4.126 -5.768 17.958 20 HB3 ASN 21 HB3 ASN 21 -2.710 -6.071 18.953 21 HD21 ASN 21 HD22 ASN 21 -5.390 -7.585 17.541 22 HD22 ASN 21 HD21 ASN 21 -5.317 -9.057 18.498 23 H GLU 22 H GLU 22 -2.154 -4.418 21.126 24 HA GLU 22 HA GLU 22 -2.278 -1.580 20.829 25 HB2 GLU 22 HB3 GLU 22 -0.016 -1.514 21.662 26 HB3 GLU 22 HB2 GLU 22 -1.002 -2.643 22.584 27 HG2 GLU 22 HG2 GLU 22 0.003 -4.526 21.217 28 HG3 GLU 22 HG3 GLU 22 1.089 -3.340 20.488 29 H GLU 23 H GLU 23 -0.534 -3.905 18.931 30 HA GLU 23 HA GLU 23 0.987 -2.570 17.203 31 HB2 GLU 23 HB2 GLU 23 -0.721 -4.991 16.526 32 HB3 GLU 23 HB3 GLU 23 0.752 -4.506 15.682 33 HG2 GLU 23 HG2 GLU 23 2.042 -4.764 17.805 34 HG3 GLU 23 HG3 GLU 23 0.586 -5.380 18.593 35 H THR 24 H THR 24 -2.116 -1.553 17.116 36 HA THR 24 HA THR 24 -1.826 -0.550 14.325 37 HB THR 24 HB THR 24 -4.253 -0.654 13.961 38 HG1 THR 24 HG1 THR 24 -5.489 -1.921 15.348 39 HG21 THR 24 HG21 THR 24 -4.459 -3.028 13.515 40 HG22 THR 24 HG22 THR 24 -2.803 -2.516 13.146 41 HG23 THR 24 HG23 THR 24 -3.141 -3.409 14.646 42 H ASP 25 H ASP 25 -2.048 0.234 17.495 43 HA ASP 25 HA ASP 25 -2.901 3.037 16.894 44 HB2 ASP 25 HB2 ASP 25 -4.501 1.690 18.297 45 HB3 ASP 25 HB3 ASP 25 -3.229 1.523 19.507 46 H THR 26 H THR 26 -0.374 1.136 17.873 47 HA THR 26 HA THR 26 1.429 3.412 18.236 48 HB THR 26 HB THR 26 0.617 3.101 20.526 49 HG1 THR 26 HG1 THR 26 2.637 2.967 21.446 50 HG21 THR 26 HG21 THR 26 0.091 0.706 20.567 51 HG22 THR 26 HG22 THR 26 1.813 0.299 20.385 52 HG23 THR 26 HG23 THR 26 1.233 1.122 21.849 53 H ALA 27 H ALA 27 3.740 2.734 18.160 54 HA ALA 27 HA ALA 27 4.290 -0.023 17.264 55 HB1 ALA 27 HB1 ALA 27 5.238 0.755 15.114 56 HB2 ALA 27 HB2 ALA 27 3.516 1.150 15.221 57 HB3 ALA 27 HB3 ALA 27 4.734 2.419 15.482 58 H THR 28 H THR 28 6.469 -0.505 17.008 59 HA THR 28 HA THR 28 8.201 0.213 19.016 60 HB THR 28 HB THR 28 9.918 -1.115 17.822 61 HG1 THR 28 HG1 THR 28 9.444 -1.839 15.738 62 HG21 THR 28 HG21 THR 28 7.977 -2.247 18.949 63 HG22 THR 28 HG22 THR 28 7.148 -2.295 17.378 64 HG23 THR 28 HG23 THR 28 8.674 -3.180 17.606 65 H PHE 29 H PHE 29 7.770 2.195 16.498 66 HA PHE 29 HA PHE 29 10.302 3.693 17.062 67 HB2 PHE 29 HB3 PHE 29 10.585 2.562 14.930 68 HB3 PHE 29 HB2 PHE 29 9.061 3.215 14.335 69 HD1 PHE 29 HD2 PHE 29 12.516 4.153 15.435 70 HD2 PHE 29 HD1 PHE 29 8.931 5.446 13.413 71 HE1 PHE 29 HE2 PHE 29 13.676 6.222 14.693 72 HE2 PHE 29 HE1 PHE 29 10.093 7.513 12.677 73 HZ PHE 29 HZ PHE 29 12.465 7.906 13.318 74 H ASN 30 H ASN 30 10.203 5.807 17.257 75 HA ASN 30 HA ASN 30 7.732 7.382 16.744 76 HB2 ASN 30 HB3 ASN 30 7.494 6.640 19.028 77 HB3 ASN 30 HB2 ASN 30 9.193 6.953 19.385 78 HD21 ASN 30 HD22 ASN 30 6.142 8.647 18.485 79 HD22 ASN 30 HD21 ASN 30 6.600 10.121 19.354 80 H ASP 31 H ASP 31 8.304 9.191 15.620 81 HA ASP 31 HA ASP 31 11.027 9.963 15.190 82 HB2 ASP 31 HB3 ASP 31 10.021 11.660 13.754 83 HB3 ASP 31 HB2 ASP 31 9.343 10.068 13.457 84 H ASP 32 H ASP 32 11.758 12.296 15.317 85 HA ASP 32 HA ASP 32 12.019 13.115 17.976 86 HB2 ASP 32 HB3 ASP 32 12.653 14.522 15.354 87 HB3 ASP 32 HB2 ASP 32 13.307 14.971 16.924 88 H ALA 33 H ALA 33 12.043 15.609 18.370 89 HA ALA 33 HA ALA 33 9.306 16.784 18.103 90 HB1 ALA 33 HB1 ALA 33 9.660 15.735 20.299 91 HB2 ALA 33 HB2 ALA 33 11.178 16.635 20.511 92 HB3 ALA 33 HB3 ALA 33 9.632 17.494 20.482 93 HA PRO 34 HA PRO 34 10.769 20.702 16.649 94 HB2 PRO 34 HB3 PRO 34 9.922 21.547 19.465 95 HB3 PRO 34 HB2 PRO 34 9.749 22.516 18.003 96 HG2 PRO 34 HG3 PRO 34 7.698 21.015 18.955 97 HG3 PRO 34 HG2 PRO 34 8.028 20.991 17.216 98 HD2 PRO 34 HD3 PRO 34 8.671 19.001 19.372 99 HD3 PRO 34 HD2 PRO 34 8.312 18.694 17.654 100 H SER 35 H SER 35 12.619 19.596 19.017 101 HA SER 35 HA SER 35 13.992 20.358 20.637 102 HB2 SER 35 HB2 SER 35 15.038 21.396 18.014 103 HB3 SER 35 HB3 SER 35 16.067 21.388 19.474 104 HG SER 35 HG SER 35 16.311 19.481 18.201 105 H GLY 36 H GLY 36 11.908 22.540 20.070 106 HA2 GLY 36 HA2 GLY 36 12.953 24.497 22.043 107 HA3 GLY 36 HA3 GLY 36 12.367 25.077 20.479 108 H ALA 37 H ALA 37 10.413 22.450 21.187 109 HA ALA 37 HA ALA 37 8.123 24.006 22.071 110 HB1 ALA 37 HB1 ALA 37 8.622 21.073 21.487 111 HB2 ALA 37 HB2 ALA 37 7.105 21.696 22.160 112 HB3 ALA 37 HB3 ALA 37 7.655 22.292 20.596 113 H THR 38 H THR 38 6.945 23.259 24.205 114 HA THR 38 HA THR 38 8.605 21.933 26.180 115 HB THR 38 HB THR 38 8.353 23.682 27.891 116 HG1 THR 38 HG1 THR 38 7.714 25.375 25.709 117 HG21 THR 38 HG21 THR 38 10.245 24.974 27.301 118 HG22 THR 38 HG22 THR 38 10.459 23.420 26.468 119 HG23 THR 38 HG23 THR 38 9.920 24.829 25.558 120 H CYS 39 H CYS 39 7.584 21.230 27.838 121 HA CYS 39 HA CYS 39 4.854 20.344 27.641 122 HB2 CYS 39 HB3 CYS 39 6.515 19.090 28.886 123 HB3 CYS 39 HB2 CYS 39 6.795 20.348 29.984 124 H ARG 40 H ARG 40 2.938 21.302 28.153 125 HA ARG 40 HA ARG 40 2.900 23.990 29.253 126 HB2 ARG 40 HB3 ARG 40 0.491 23.820 29.233 127 HB3 ARG 40 HB2 ARG 40 1.218 23.321 27.722 128 HG2 ARG 40 HG2 ARG 40 0.334 21.240 27.794 129 HG3 ARG 40 HG3 ARG 40 0.695 21.020 29.507 130 HD2 ARG 40 HD2 ARG 40 -1.239 22.174 30.209 131 HD3 ARG 40 HD3 ARG 40 -1.532 22.880 28.629 132 HE ARG 40 HE ARG 40 -2.253 20.176 29.528 133 HH11 ARG 40 HH11 ARG 40 -1.873 22.092 26.596 134 HH12 ARG 40 HH12 ARG 40 -3.234 21.319 25.829 135 HH21 ARG 40 HH21 ARG 40 -3.945 19.213 28.428 136 HH22 ARG 40 HH22 ARG 40 -4.299 19.691 26.792 137 H ILE 41 H ILE 41 3.148 21.015 30.798 138 HA ILE 41 HA ILE 41 2.046 21.989 33.360 139 HB ILE 41 HB ILE 41 2.963 19.238 32.454 140 HG12 ILE 41 HG12 ILE 41 0.231 20.448 33.165 141 HG13 ILE 41 HG13 ILE 41 0.782 20.047 31.561 142 HG21 ILE 41 HG21 ILE 41 1.975 20.082 35.188 143 HG22 ILE 41 HG22 ILE 41 2.223 18.403 34.639 144 HG23 ILE 41 HG23 ILE 41 3.606 19.472 34.758 145 HD11 ILE 41 HD11 ILE 41 0.669 17.684 31.965 146 HD12 ILE 41 HD12 ILE 41 0.290 17.927 33.688 147 HD13 ILE 41 HD13 ILE 41 -0.847 18.432 32.429 148 H CYS 42 H CYS 42 5.153 20.516 32.115 149 HA CYS 42 HA CYS 42 6.507 21.303 34.600 150 HB2 CYS 42 HB2 CYS 42 7.419 20.046 31.990 151 HB3 CYS 42 HB3 CYS 42 8.413 20.230 33.448 152 H ARG 43 H ARG 43 6.007 22.811 31.548 153 HA ARG 43 HA ARG 43 6.948 24.535 30.384 154 HB2 ARG 43 HB2 ARG 43 7.860 25.603 33.080 155 HB3 ARG 43 HB3 ARG 43 7.618 26.522 31.597 156 HG2 ARG 43 HG2 ARG 43 5.444 25.136 33.230 157 HG3 ARG 43 HG3 ARG 43 5.777 26.862 33.185 158 HD2 ARG 43 HD2 ARG 43 5.106 27.000 30.833 159 HD3 ARG 43 HD3 ARG 43 4.941 25.248 30.739 160 HE ARG 43 HE ARG 43 2.928 25.289 31.859 161 HH11 ARG 43 HH22 ARG 43 4.195 28.561 31.998 162 HH12 ARG 43 HH21 ARG 43 2.669 29.204 32.542 163 HH21 ARG 43 HH11 ARG 43 1.071 26.148 32.524 164 HH22 ARG 43 HH12 ARG 43 0.931 27.857 32.840 165 H GLY 44 H GLY 44 8.321 22.194 30.391 166 HA2 GLY 44 HA2 GLY 44 11.129 23.126 29.901 167 HA3 GLY 44 HA3 GLY 44 10.890 21.619 30.763 168 H GLU 45 H GLU 45 12.285 21.926 28.498 169 HA GLU 45 HA GLU 45 11.006 21.424 26.065 170 HB2 GLU 45 HB3 GLU 45 13.693 21.337 27.403 171 HB3 GLU 45 HB2 GLU 45 13.556 20.464 25.975 172 HG2 GLU 45 HG2 GLU 45 12.815 22.502 24.731 173 HG3 GLU 45 HG3 GLU 45 12.816 23.397 26.260 174 H ALA 46 H ALA 46 11.453 19.751 24.712 175 HA ALA 46 HA ALA 46 10.458 17.141 25.530 176 HB1 ALA 46 HB1 ALA 46 11.126 16.461 23.190 177 HB2 ALA 46 HB2 ALA 46 10.099 17.887 23.199 178 HB3 ALA 46 HB3 ALA 46 11.851 18.061 22.959 179 H THR 47 H THR 47 11.560 15.147 25.338 180 HA THR 47 HA THR 47 14.548 15.210 25.456 181 HB THR 47 HB THR 47 14.745 13.697 27.278 182 HG1 THR 47 HG1 THR 47 12.894 13.152 28.517 183 HG21 THR 47 HG21 THR 47 14.586 16.080 27.820 184 HG22 THR 47 HG22 THR 47 12.845 15.870 28.170 185 HG23 THR 47 HG23 THR 47 14.068 15.011 29.144 186 H GLU 48 H GLU 48 15.608 13.307 25.095 187 HA GLU 48 HA GLU 48 14.791 11.794 22.954 188 HB2 GLU 48 HB2 GLU 48 16.768 11.227 25.181 189 HB3 GLU 48 HB3 GLU 48 16.773 10.335 23.651 190 HG2 GLU 48 HG3 GLU 48 17.194 12.458 22.408 191 HG3 GLU 48 HG2 GLU 48 17.302 13.326 23.941 192 H ASP 49 H ASP 49 13.650 11.323 26.036 193 HA ASP 49 HA ASP 49 12.882 8.458 25.560 194 HB2 ASP 49 HB2 ASP 49 14.628 8.680 27.319 195 HB3 ASP 49 HB3 ASP 49 13.575 9.779 28.210 196 H ASN 50 H ASN 50 11.956 11.691 26.673 197 HA ASN 50 HA ASN 50 9.138 10.890 26.466 198 HB2 ASN 50 HB2 ASN 50 10.008 10.756 28.862 199 HB3 ASN 50 HB3 ASN 50 10.560 12.420 28.709 200 HD21 ASN 50 HD22 ASN 50 9.396 13.535 30.057 201 HD22 ASN 50 HD21 ASN 50 7.683 13.322 30.182 202 HA PRO 51 HA PRO 51 9.906 14.499 23.660 203 HB2 PRO 51 HB3 PRO 51 7.744 12.700 22.479 204 HB3 PRO 51 HB2 PRO 51 8.937 13.732 21.613 205 HG2 PRO 51 HG3 PRO 51 9.533 11.150 21.864 206 HG3 PRO 51 HG2 PRO 51 10.717 12.412 22.399 207 HD2 PRO 51 HD3 PRO 51 9.002 10.784 24.229 208 HD3 PRO 51 HD2 PRO 51 10.723 11.166 24.225 209 H LEU 52 H LEU 52 8.261 15.706 22.495 210 HA LEU 52 HA LEU 52 5.737 16.211 24.066 211 HB2 LEU 52 HB2 LEU 52 7.405 18.272 22.598 212 HB3 LEU 52 HB3 LEU 52 5.897 18.581 23.442 213 HG LEU 52 HG LEU 52 8.300 17.451 24.909 214 HD11 LEU 52 HD11 LEU 52 7.507 20.337 24.559 215 HD12 LEU 52 HD12 LEU 52 8.808 19.691 25.613 216 HD13 LEU 52 HD13 LEU 52 8.944 19.546 23.855 217 HD21 LEU 52 HD21 LEU 52 6.271 17.225 26.096 218 HD22 LEU 52 HD22 LEU 52 7.216 18.505 26.849 219 HD23 LEU 52 HD23 LEU 52 5.828 18.937 25.827 220 H PHE 53 H PHE 53 3.923 16.600 22.984 221 HA PHE 53 HA PHE 53 3.631 16.659 20.065 222 HB2 PHE 53 HB2 PHE 53 2.324 14.588 19.968 223 HB3 PHE 53 HB3 PHE 53 3.944 14.236 20.535 224 HD1 PHE 53 HD2 PHE 53 4.369 13.790 22.984 225 HD2 PHE 53 HD1 PHE 53 0.378 14.146 21.373 226 HE1 PHE 53 HE2 PHE 53 3.437 12.966 25.106 227 HE2 PHE 53 HE1 PHE 53 -0.549 13.264 23.485 228 HZ PHE 53 HZ PHE 53 0.979 12.759 25.404 229 H HIS 54 H HIS 54 1.002 16.327 19.751 230 HA HIS 54 HA HIS 54 -0.279 18.162 21.708 231 HB2 HIS 54 HB3 HIS 54 -0.896 18.033 18.755 232 HB3 HIS 54 HB2 HIS 54 -1.467 19.191 19.930 233 HD1 HIS 54 HD1 HIS 54 1.331 20.046 21.127 234 HD2 HIS 54 HD2 HIS 54 0.183 19.674 17.108 235 HE1 HIS 54 HE1 HIS 54 2.591 21.847 19.835 236 HA PRO 55 HA PRO 55 -3.176 14.622 21.789 237 HB2 PRO 55 HB3 PRO 55 -4.280 15.005 24.219 238 HB3 PRO 55 HB2 PRO 55 -2.623 14.377 24.092 239 HG2 PRO 55 HG3 PRO 55 -3.507 17.291 24.436 240 HG3 PRO 55 HG2 PRO 55 -2.600 16.505 25.495 241 HD2 PRO 55 HD3 PRO 55 -1.416 17.944 23.480 242 HD3 PRO 55 HD2 PRO 55 -0.695 16.337 23.799 243 H CYS 56 H CYS 56 -3.745 18.016 22.677 244 HA CYS 56 HA CYS 56 -6.469 17.972 21.701 245 HB2 CYS 56 HB2 CYS 56 -7.355 18.957 23.605 246 HB3 CYS 56 HB3 CYS 56 -6.669 17.394 24.089 247 H LYS 57 H LYS 57 -7.235 20.018 21.090 248 HA LYS 57 HA LYS 57 -5.154 21.872 20.530 249 HB2 LYS 57 HB2 LYS 57 -8.039 21.519 19.761 250 HB3 LYS 57 HB3 LYS 57 -7.068 22.866 19.181 251 HG2 LYS 57 HG3 LYS 57 -6.756 21.287 17.493 252 HG3 LYS 57 HG2 LYS 57 -5.321 21.277 18.569 253 HD2 LYS 57 HD2 LYS 57 -5.713 19.111 19.347 254 HD3 LYS 57 HD3 LYS 57 -7.302 19.034 18.564 255 HE2 LYS 57 HE2 LYS 57 -6.323 19.053 16.380 256 HE3 LYS 57 HE3 LYS 57 -4.755 19.562 17.012 257 HZ1 LYS 57 HZ1 LYS 57 -5.968 16.876 17.493 258 HZ2 LYS 57 HZ2 LYS 57 -4.744 17.207 16.478 259 HZ3 LYS 57 HZ3 LYS 57 -4.532 17.386 18.083 260 H CYS 58 H CYS 58 -5.910 21.660 23.347 261 HA CYS 58 HA CYS 58 -6.478 24.438 23.825 262 HB2 CYS 58 HB2 CYS 58 -5.108 22.371 25.591 263 HB3 CYS 58 HB3 CYS 58 -5.429 24.031 26.084 264 H ARG 59 H ARG 59 -2.984 24.597 22.892 265 HA ARG 59 HA ARG 59 -4.948 25.443 21.043 266 HB2 ARG 59 HB3 ARG 59 -6.113 26.494 22.911 267 HB3 ARG 59 HB2 ARG 59 -4.691 27.425 23.357 268 HG2 ARG 59 HG2 ARG 59 -5.699 27.778 20.544 269 HG3 ARG 59 HG3 ARG 59 -6.751 28.357 21.839 270 HD2 ARG 59 HD2 ARG 59 -4.918 29.770 22.729 271 HD3 ARG 59 HD3 ARG 59 -3.847 29.191 21.458 272 HE ARG 59 HE ARG 59 -4.922 30.505 19.875 273 HH11 ARG 59 HH11 ARG 59 -6.787 30.735 22.840 274 HH12 ARG 59 HH12 ARG 59 -7.731 32.070 22.239 275 HH21 ARG 59 HH22 ARG 59 -6.163 32.202 19.185 276 HH22 ARG 59 HH21 ARG 59 -7.383 32.872 20.228 277 H GLY 60 H GLY 60 -2.241 26.848 22.765 278 HA2 GLY 60 HA2 GLY 60 -0.961 27.684 20.162 279 HA3 GLY 60 HA3 GLY 60 -0.795 28.577 21.679 280 H SER 61 H SER 61 1.495 28.284 22.019 281 HA SER 61 HA SER 61 2.973 25.870 21.708 282 HB2 SER 61 HB2 SER 61 3.368 28.007 23.840 283 HB3 SER 61 HB3 SER 61 4.573 26.836 23.266 284 HG SER 61 HG SER 61 4.797 28.891 22.247 285 H ILE 62 H ILE 62 0.809 26.868 24.214 286 HA ILE 62 HA ILE 62 1.378 24.898 26.221 287 HB ILE 62 HB ILE 62 -0.826 25.385 27.173 288 HG12 ILE 62 HG12 ILE 62 -1.319 27.019 24.646 289 HG13 ILE 62 HG13 ILE 62 -2.173 25.571 25.162 290 HG21 ILE 62 HG21 ILE 62 1.167 26.818 27.573 291 HG22 ILE 62 HG22 ILE 62 0.593 27.932 26.308 292 HG23 ILE 62 HG23 ILE 62 -0.366 27.662 27.780 293 HD11 ILE 62 HD11 ILE 62 -3.548 27.476 25.633 294 HD12 ILE 62 HD12 ILE 62 -2.986 26.812 27.182 295 HD13 ILE 62 HD13 ILE 62 -2.240 28.287 26.507 296 H LYS 63 H LYS 63 0.086 24.331 23.116 297 HA LYS 63 HA LYS 63 -1.401 21.933 23.941 298 HB2 LYS 63 HB2 LYS 63 -2.289 21.875 21.896 299 HB3 LYS 63 HB3 LYS 63 -1.906 23.578 22.007 300 HG2 LYS 63 HG2 LYS 63 0.292 22.848 20.734 301 HG3 LYS 63 HG3 LYS 63 -0.775 21.504 20.263 302 HD2 LYS 63 HD2 LYS 63 -2.451 23.031 19.382 303 HD3 LYS 63 HD3 LYS 63 -1.474 24.429 19.875 304 HE2 LYS 63 HE2 LYS 63 0.365 23.666 18.390 305 HE3 LYS 63 HE3 LYS 63 -0.627 22.303 17.866 306 HZ1 LYS 63 HZ1 LYS 63 -1.338 25.166 17.476 307 HZ2 LYS 63 HZ2 LYS 63 -0.768 24.174 16.313 308 HZ3 LYS 63 HZ3 LYS 63 -2.237 23.899 16.967 309 H TYR 64 H TYR 64 1.756 22.533 23.975 310 HA TYR 64 HA TYR 64 2.625 19.801 23.139 311 HB2 TYR 64 HB3 TYR 64 4.150 22.318 23.836 312 HB3 TYR 64 HB2 TYR 64 4.906 20.743 23.922 313 HD1 TYR 64 HD2 TYR 64 4.528 19.181 21.779 314 HD2 TYR 64 HD1 TYR 64 4.469 23.493 21.801 315 HE1 TYR 64 HE2 TYR 64 5.153 19.174 19.390 316 HE2 TYR 64 HE1 TYR 64 5.043 23.499 19.370 317 HH TYR 64 HH TYR 64 5.362 20.475 17.481 318 H MET 65 H MET 65 3.217 18.292 24.676 319 HA MET 65 HA MET 65 3.485 18.916 27.511 320 HB2 MET 65 HB2 MET 65 0.968 18.981 26.984 321 HB3 MET 65 HB3 MET 65 1.084 17.240 26.696 322 HG2 MET 65 HG3 MET 65 1.674 16.855 28.951 323 HG3 MET 65 HG2 MET 65 2.073 18.543 29.242 324 HE1 MET 65 HE1 MET 65 -0.853 16.163 28.262 325 HE2 MET 65 HE2 MET 65 -2.302 17.103 28.684 326 HE3 MET 65 HE3 MET 65 -1.306 17.581 27.289 327 H HIS 66 H HIS 66 4.425 17.160 28.692 328 HA HIS 66 HA HIS 66 5.911 15.238 27.098 329 HB2 HIS 66 HB2 HIS 66 5.446 15.333 30.081 330 HB3 HIS 66 HB3 HIS 66 6.526 14.307 29.233 331 HD2 HIS 66 HD2 HIS 66 8.373 16.033 27.549 332 HE1 HIS 66 HE1 HIS 66 8.820 18.744 30.775 333 HE2 HIS 66 HE2 HIS 66 9.874 17.900 28.616 334 H GLU 67 H GLU 67 5.739 12.877 27.150 335 HA GLU 67 HA GLU 67 3.042 11.823 26.989 336 HB2 GLU 67 HB2 GLU 67 5.254 10.830 25.996 337 HB3 GLU 67 HB3 GLU 67 5.449 10.099 27.607 338 HG2 GLU 67 HG2 GLU 67 3.188 9.073 27.386 339 HG3 GLU 67 HG3 GLU 67 3.059 9.743 25.759 340 H SER 68 H SER 68 5.512 11.739 29.566 341 HA SER 68 HA SER 68 4.078 10.278 31.514 342 HB2 SER 68 HB3 SER 68 5.463 11.604 33.130 343 HB3 SER 68 HB2 SER 68 6.381 10.764 31.854 344 HG SER 68 HG SER 68 6.909 13.067 32.371 345 H CYS 69 H CYS 69 4.219 13.849 31.163 346 HA CYS 69 HA CYS 69 2.302 14.484 33.177 347 HB2 CYS 69 HB2 CYS 69 3.205 15.942 30.626 348 HB3 CYS 69 HB3 CYS 69 2.413 16.693 32.019 349 H LEU 70 H LEU 70 1.760 13.808 29.646 350 HA LEU 70 HA LEU 70 -1.083 14.445 29.869 351 HB2 LEU 70 HB2 LEU 70 0.011 14.210 27.647 352 HB3 LEU 70 HB3 LEU 70 0.350 12.515 27.973 353 HG LEU 70 HG LEU 70 -2.078 11.999 28.025 354 HD11 LEU 70 HD11 LEU 70 -2.933 14.184 28.884 355 HD12 LEU 70 HD12 LEU 70 -2.442 14.937 27.341 356 HD13 LEU 70 HD13 LEU 70 -3.725 13.706 27.390 357 HD21 LEU 70 HD21 LEU 70 -2.592 12.532 25.662 358 HD22 LEU 70 HD22 LEU 70 -1.235 13.687 25.662 359 HD23 LEU 70 HD23 LEU 70 -0.946 11.928 25.887 360 H LEU 71 H LEU 71 0.780 11.403 30.169 361 HA LEU 71 HA LEU 71 -1.328 9.625 30.566 362 HB2 LEU 71 HB3 LEU 71 1.013 9.297 29.895 363 HB3 LEU 71 HB2 LEU 71 1.566 9.679 31.514 364 HG LEU 71 HG LEU 71 0.594 7.628 32.348 365 HD11 LEU 71 HD11 LEU 71 -0.145 7.142 29.423 366 HD12 LEU 71 HD12 LEU 71 -0.202 5.906 30.703 367 HD13 LEU 71 HD13 LEU 71 -1.285 7.304 30.781 368 HD21 LEU 71 HD21 LEU 71 2.379 7.432 29.855 369 HD22 LEU 71 HD22 LEU 71 2.917 7.732 31.506 370 HD23 LEU 71 HD23 LEU 71 2.226 6.150 31.091 371 H GLU 72 H GLU 72 0.369 11.712 32.760 372 HA GLU 72 HA GLU 72 -0.782 10.860 35.320 373 HB2 GLU 72 HB3 GLU 72 0.708 13.175 34.219 374 HB3 GLU 72 HB2 GLU 72 0.259 13.290 35.812 375 HG2 GLU 72 HG2 GLU 72 1.971 10.951 34.870 376 HG3 GLU 72 HG3 GLU 72 2.634 12.467 35.481 377 H TRP 73 H TRP 73 -1.308 13.561 32.950 378 HA TRP 73 HA TRP 73 -3.261 14.971 34.476 379 HB2 TRP 73 HB2 TRP 73 -2.032 15.933 32.587 380 HB3 TRP 73 HB3 TRP 73 -2.816 14.809 31.484 381 HD1 TRP 73 HD1 TRP 73 -3.572 17.909 33.629 382 HE1 TRP 73 HE1 TRP 73 -5.673 19.073 32.719 383 HE3 TRP 73 HE3 TRP 73 -4.898 14.471 30.117 384 HZ2 TRP 73 HZ2 TRP 73 -7.711 18.548 30.704 385 HZ3 TRP 73 HZ3 TRP 73 -6.989 14.757 28.789 386 HH2 TRP 73 HH2 TRP 73 -8.373 16.804 29.048 387 H VAL 74 H VAL 74 -3.686 12.529 31.840 388 HA VAL 74 HA VAL 74 -6.568 12.323 32.189 389 HB VAL 74 HB VAL 74 -6.491 10.254 30.944 390 HG11 VAL 74 HG11 VAL 74 -4.549 12.200 29.658 391 HG12 VAL 74 HG12 VAL 74 -5.615 11.038 28.851 392 HG13 VAL 74 HG13 VAL 74 -6.315 12.413 29.718 393 HG21 VAL 74 HG21 VAL 74 -4.289 9.385 30.033 394 HG22 VAL 74 HG22 VAL 74 -3.473 10.376 31.242 395 HG23 VAL 74 HG23 VAL 74 -4.562 9.078 31.752 396 H ALA 75 H ALA 75 -3.814 10.816 33.818 397 HA ALA 75 HA ALA 75 -5.393 8.871 35.295 398 HB1 ALA 75 HB1 ALA 75 -2.992 8.553 35.129 399 HB2 ALA 75 HB2 ALA 75 -2.681 10.081 35.977 400 HB3 ALA 75 HB3 ALA 75 -3.455 8.736 36.824 401 H SER 76 H SER 76 -4.426 12.296 35.956 402 HA SER 76 HA SER 76 -5.719 12.460 38.520 403 HB2 SER 76 HB2 SER 76 -5.173 14.632 36.469 404 HB3 SER 76 HB3 SER 76 -5.812 14.923 38.092 405 HG SER 76 HG SER 76 -3.522 15.111 38.010 406 H LYS 77 H LYS 77 -7.208 12.141 35.415 407 HA LYS 77 HA LYS 77 -9.860 13.187 36.287 408 HB2 LYS 77 HB2 LYS 77 -9.156 11.772 33.685 409 HB3 LYS 77 HB3 LYS 77 -10.542 12.796 34.009 410 HG2 LYS 77 HG2 LYS 77 -7.658 13.674 33.772 411 HG3 LYS 77 HG3 LYS 77 -8.881 13.853 32.533 412 HD2 LYS 77 HD2 LYS 77 -10.173 15.361 34.073 413 HD3 LYS 77 HD3 LYS 77 -8.863 15.214 35.272 414 HE2 LYS 77 HE2 LYS 77 -7.256 16.153 33.653 415 HE3 LYS 77 HE3 LYS 77 -8.536 16.282 32.439 416 HZ1 LYS 77 HZ1 LYS 77 -8.504 17.723 35.042 417 HZ2 LYS 77 HZ2 LYS 77 -8.215 18.399 33.585 418 HZ3 LYS 77 HZ3 LYS 77 -9.701 17.827 33.934 419 H ASN 78 H ASN 78 -8.238 10.475 37.036 420 HA ASN 78 HA ASN 78 -8.829 8.443 37.825 421 HB2 ASN 78 HB3 ASN 78 -10.184 9.588 39.305 422 HB3 ASN 78 HB2 ASN 78 -11.379 10.026 38.133 423 HD21 ASN 78 HD22 ASN 78 -13.192 9.032 38.182 424 HD22 ASN 78 HD21 ASN 78 -13.499 7.444 38.894 425 H ILE 79 H ILE 79 -8.377 8.475 35.175 426 HA ILE 79 HA ILE 79 -10.149 6.300 34.173 427 HB ILE 79 HB ILE 79 -9.073 8.316 32.210 428 HG12 ILE 79 HG12 ILE 79 -11.567 8.785 33.900 429 HG13 ILE 79 HG13 ILE 79 -10.142 9.792 33.710 430 HG21 ILE 79 HG21 ILE 79 -11.586 6.581 32.248 431 HG22 ILE 79 HG22 ILE 79 -10.983 7.523 30.871 432 HG23 ILE 79 HG23 ILE 79 -10.055 6.154 31.447 433 HD11 ILE 79 HD11 ILE 79 -10.674 10.230 31.350 434 HD12 ILE 79 HD12 ILE 79 -12.213 9.346 31.557 435 HD13 ILE 79 HD13 ILE 79 -11.897 10.819 32.490 436 H ASP 80 H ASP 80 -9.134 4.699 33.026 437 HA ASP 80 HA ASP 80 -6.142 4.762 32.919 438 HB2 ASP 80 HB2 ASP 80 -7.015 3.106 34.464 439 HB3 ASP 80 HB3 ASP 80 -8.035 2.411 33.200 440 H ILE 81 H ILE 81 -5.705 5.521 30.970 441 HA ILE 81 HA ILE 81 -7.244 5.085 28.616 442 HB ILE 81 HB ILE 81 -5.377 6.140 27.405 443 HG12 ILE 81 HG12 ILE 81 -3.562 7.251 28.673 444 HG13 ILE 81 HG13 ILE 81 -3.940 6.294 30.102 445 HG21 ILE 81 HG21 ILE 81 -5.668 8.304 28.540 446 HG22 ILE 81 HG22 ILE 81 -7.180 7.386 28.452 447 HG23 ILE 81 HG23 ILE 81 -6.279 7.490 29.983 448 HD11 ILE 81 HD11 ILE 81 -3.127 5.069 27.426 449 HD12 ILE 81 HD12 ILE 81 -1.968 5.525 28.685 450 HD13 ILE 81 HD13 ILE 81 -3.159 4.275 29.024 451 H SER 82 H SER 82 -5.196 2.868 30.138 452 HA SER 82 HA SER 82 -4.306 1.524 27.721 453 HB2 SER 82 HB2 SER 82 -3.125 1.486 29.950 454 HB3 SER 82 HB3 SER 82 -4.442 0.477 30.576 455 HG SER 82 HG SER 82 -2.618 -0.743 29.829 456 H LYS 83 H LYS 83 -7.240 1.531 29.613 457 HA LYS 83 HA LYS 83 -8.174 -1.128 28.927 458 HB2 LYS 83 HB2 LYS 83 -9.672 1.341 29.915 459 HB3 LYS 83 HB3 LYS 83 -10.389 -0.265 29.720 460 HG2 LYS 83 HG3 LYS 83 -8.667 -1.199 31.293 461 HG3 LYS 83 HG2 LYS 83 -8.084 0.451 31.579 462 HD2 LYS 83 HD2 LYS 83 -10.343 1.098 32.395 463 HD3 LYS 83 HD3 LYS 83 -10.904 -0.569 32.116 464 HE2 LYS 83 HE2 LYS 83 -9.186 -1.409 33.706 465 HE3 LYS 83 HE3 LYS 83 -8.630 0.244 33.989 466 HZ1 LYS 83 HZ1 LYS 83 -11.352 -0.772 34.626 467 HZ2 LYS 83 HZ2 LYS 83 -10.177 -0.476 35.717 468 HZ3 LYS 83 HZ3 LYS 83 -10.844 0.760 34.888 469 HA PRO 84 HA PRO 84 -9.524 -0.205 24.850 470 HB2 PRO 84 HB3 PRO 84 -11.005 -2.403 24.180 471 HB3 PRO 84 HB2 PRO 84 -9.262 -2.474 24.588 472 HG2 PRO 84 HG3 PRO 84 -11.619 -2.986 26.443 473 HG3 PRO 84 HG2 PRO 84 -10.205 -4.052 26.154 474 HD2 PRO 84 HD3 PRO 84 -10.339 -2.265 28.243 475 HD3 PRO 84 HD2 PRO 84 -8.799 -2.686 27.447 476 H GLY 85 H GLY 85 -11.402 0.432 27.204 477 HA2 GLY 85 HA2 GLY 85 -13.835 1.243 25.634 478 HA3 GLY 85 HA3 GLY 85 -13.782 1.032 27.388 479 H ALA 86 H ALA 86 -10.881 2.499 26.709 480 HA ALA 86 HA ALA 86 -11.725 5.047 27.763 481 HB1 ALA 86 HB1 ALA 86 -9.540 4.070 28.267 482 HB2 ALA 86 HB2 ALA 86 -9.078 4.150 26.549 483 HB3 ALA 86 HB3 ALA 86 -9.348 5.643 27.473 484 H ASP 87 H ASP 87 -12.406 6.798 26.777 485 HA ASP 87 HA ASP 87 -11.802 7.426 23.940 486 HB2 ASP 87 HB2 ASP 87 -13.943 6.118 24.025 487 HB3 ASP 87 HB3 ASP 87 -14.622 7.343 25.096 488 H VAL 88 H VAL 88 -10.642 8.443 26.139 489 HA VAL 88 HA VAL 88 -11.756 10.664 27.454 490 HB VAL 88 HB VAL 88 -8.799 10.127 26.942 491 HG11 VAL 88 HG11 VAL 88 -9.274 12.367 27.915 492 HG12 VAL 88 HG12 VAL 88 -10.244 11.606 29.193 493 HG13 VAL 88 HG13 VAL 88 -8.496 11.307 29.092 494 HG21 VAL 88 HG21 VAL 88 -8.901 8.981 29.190 495 HG22 VAL 88 HG22 VAL 88 -10.673 9.064 29.099 496 HG23 VAL 88 HG23 VAL 88 -9.755 8.102 27.921 497 H LYS 89 H LYS 89 -12.206 12.636 26.821 498 HA LYS 89 HA LYS 89 -10.691 13.980 24.663 499 HB2 LYS 89 HB2 LYS 89 -12.501 13.024 23.538 500 HB3 LYS 89 HB3 LYS 89 -13.614 13.249 24.904 501 HG2 LYS 89 HG2 LYS 89 -13.662 15.713 24.462 502 HG3 LYS 89 HG3 LYS 89 -12.654 15.432 23.026 503 HD2 LYS 89 HD2 LYS 89 -14.397 13.663 22.355 504 HD3 LYS 89 HD3 LYS 89 -15.426 14.321 23.640 505 HE2 LYS 89 HE2 LYS 89 -15.188 16.603 22.576 506 HE3 LYS 89 HE3 LYS 89 -14.340 15.837 21.229 507 HZ1 LYS 89 HZ1 LYS 89 -16.763 16.187 20.869 508 HZ2 LYS 89 HZ2 LYS 89 -16.342 14.606 20.706 509 HZ3 LYS 89 HZ3 LYS 89 -17.109 15.132 22.055 510 H CYS 90 H CYS 90 -10.185 15.980 25.039 511 HA CYS 90 HA CYS 90 -10.506 17.147 27.624 512 HB2 CYS 90 HB2 CYS 90 -8.561 17.376 26.085 513 HB3 CYS 90 HB3 CYS 90 -9.570 18.326 24.975 514 H ASP 91 H ASP 91 -12.141 18.431 28.361 515 HA ASP 91 HA ASP 91 -14.453 19.030 26.643 516 HB2 ASP 91 HB2 ASP 91 -14.559 18.256 29.047 517 HB3 ASP 91 HB3 ASP 91 -13.885 19.802 29.536 518 H ILE 92 H ILE 92 -11.651 20.702 27.677 519 HA ILE 92 HA ILE 92 -12.647 23.362 27.780 520 HB ILE 92 HB ILE 92 -9.841 22.327 27.247 521 HG12 ILE 92 HG12 ILE 92 -11.311 22.927 29.822 522 HG13 ILE 92 HG13 ILE 92 -10.562 21.426 29.295 523 HG21 ILE 92 HG21 ILE 92 -9.921 24.591 26.468 524 HG22 ILE 92 HG22 ILE 92 -10.741 25.138 27.967 525 HG23 ILE 92 HG23 ILE 92 -9.049 24.580 27.980 526 HD11 ILE 92 HD11 ILE 92 -9.091 23.927 30.184 527 HD12 ILE 92 HD12 ILE 92 -9.182 22.361 31.003 528 HD13 ILE 92 HD13 ILE 92 -8.309 22.494 29.463 529 H CYS 93 H CYS 93 -10.424 21.961 25.318 530 HA CYS 93 HA CYS 93 -11.129 23.949 23.337 531 HB2 CYS 93 HB3 CYS 93 -9.290 22.881 22.187 532 HB3 CYS 93 HB2 CYS 93 -8.837 23.220 23.805 533 H HIS 94 H HIS 94 -12.150 20.841 24.270 534 HA HIS 94 HA HIS 94 -13.796 19.484 23.702 535 HB2 HIS 94 HB2 HIS 94 -14.943 21.525 22.721 536 HB3 HIS 94 HB3 HIS 94 -14.382 20.972 21.141 537 HD1 HIS 94 HD1 HIS 94 -16.708 19.821 24.016 538 HD2 HIS 94 HD2 HIS 94 -15.767 19.027 19.992 539 HE1 HIS 94 HE1 HIS 94 -18.474 18.184 23.181 540 H TYR 95 H TYR 95 -10.869 19.701 22.230 541 HA TYR 95 HA TYR 95 -11.349 17.752 20.120 542 HB2 TYR 95 HB2 TYR 95 -8.783 19.129 20.927 543 HB3 TYR 95 HB3 TYR 95 -8.873 17.842 19.732 544 HD1 TYR 95 HD1 TYR 95 -10.296 21.134 20.606 545 HD2 TYR 95 HD2 TYR 95 -9.480 18.281 17.529 546 HE1 TYR 95 HE1 TYR 95 -11.136 22.777 18.923 547 HE2 TYR 95 HE2 TYR 95 -10.281 19.918 15.790 548 HH TYR 95 HH TYR 95 -11.499 23.174 16.676 549 HA PRO 96 HA PRO 96 -10.864 14.110 22.646 550 HB2 PRO 96 HB3 PRO 96 -9.906 12.831 20.113 551 HB3 PRO 96 HB2 PRO 96 -11.202 12.300 21.242 552 HG2 PRO 96 HG3 PRO 96 -11.820 13.495 18.870 553 HG3 PRO 96 HG2 PRO 96 -12.715 13.904 20.391 554 HD2 PRO 96 HD3 PRO 96 -10.489 15.373 19.099 555 HD3 PRO 96 HD2 PRO 96 -12.085 15.978 19.659 556 H ILE 97 H ILE 97 -9.166 12.944 23.663 557 HA ILE 97 HA ILE 97 -6.552 14.212 23.408 558 HB ILE 97 HB ILE 97 -7.588 12.038 25.201 559 HG12 ILE 97 HG12 ILE 97 -8.414 14.420 25.513 560 HG13 ILE 97 HG13 ILE 97 -7.659 13.701 26.898 561 HG21 ILE 97 HG21 ILE 97 -5.242 11.562 24.900 562 HG22 ILE 97 HG22 ILE 97 -4.812 13.225 25.279 563 HG23 ILE 97 HG23 ILE 97 -5.547 12.196 26.518 564 HD11 ILE 97 HD11 ILE 97 -7.016 16.050 26.609 565 HD12 ILE 97 HD12 ILE 97 -5.613 14.986 26.573 566 HD13 ILE 97 HD13 ILE 97 -6.258 15.648 25.060 567 H GLN 98 H GLN 98 -5.418 13.827 21.793 568 HA GLN 98 HA GLN 98 -5.242 11.143 20.491 569 HB2 GLN 98 HB2 GLN 98 -4.570 13.949 19.537 570 HB3 GLN 98 HB3 GLN 98 -4.163 12.489 18.624 571 HG2 GLN 98 HG2 GLN 98 -6.508 11.829 18.489 572 HG3 GLN 98 HG3 GLN 98 -7.002 13.197 19.474 573 HE21 GLN 98 HE22 GLN 98 -6.639 12.162 16.256 574 HE22 GLN 98 HE21 GLN 98 -6.676 13.757 15.519 575 H PHE 99 H PHE 99 -4.000 10.082 21.913 576 HA PHE 99 HA PHE 99 -1.388 10.737 22.782 577 HB2 PHE 99 HB2 PHE 99 -2.430 7.959 22.135 578 HB3 PHE 99 HB3 PHE 99 -1.225 8.414 23.321 579 HD1 PHE 99 HD2 PHE 99 -1.955 9.631 25.447 580 HD2 PHE 99 HD1 PHE 99 -4.771 7.974 22.629 581 HE1 PHE 99 HE2 PHE 99 -3.769 9.819 27.139 582 HE2 PHE 99 HE1 PHE 99 -6.580 8.182 24.312 583 HZ PHE 99 HZ PHE 99 -6.094 9.131 26.547 584 H LYS 100 H LYS 100 0.556 10.788 21.744 585 HA LYS 100 HA LYS 100 0.776 10.464 18.893 586 HB2 LYS 100 HB2 LYS 100 2.018 12.115 20.197 587 HB3 LYS 100 HB3 LYS 100 2.848 10.848 21.095 588 HG2 LYS 100 HG2 LYS 100 4.369 11.776 19.522 589 HG3 LYS 100 HG3 LYS 100 3.995 10.148 18.987 590 HD2 LYS 100 HD2 LYS 100 2.377 11.144 17.287 591 HD3 LYS 100 HD3 LYS 100 2.827 12.743 17.886 592 HE2 LYS 100 HE2 LYS 100 4.190 12.525 16.013 593 HE3 LYS 100 HE3 LYS 100 5.269 12.099 17.339 594 HZ1 LYS 100 HZ1 LYS 100 3.927 10.226 15.467 595 HZ2 LYS 100 HZ2 LYS 100 5.527 10.518 15.587 596 HZ3 LYS 100 HZ3 LYS 100 4.755 9.697 16.778 597 H THR 101 H THR 101 1.873 9.025 17.652 598 HA THR 101 HA THR 101 2.299 6.251 18.606 599 HB THR 101 HB THR 101 2.612 7.526 15.856 600 HG1 THR 101 HG1 THR 101 0.479 7.308 16.770 601 HG21 THR 101 HG21 THR 101 4.055 5.548 15.971 602 HG22 THR 101 HG22 THR 101 2.746 4.597 16.704 603 HG23 THR 101 HG23 THR 101 2.610 5.170 15.027 Start of MODEL 15 1 H1 VAL 19 H1 VAL 19 -13.643 18.755 38.885 2 H2 VAL 19 H2 VAL 19 -12.330 17.789 38.770 3 H3 VAL 19 H3 VAL 19 -13.750 17.341 38.077 4 HA VAL 19 HA VAL 19 -12.155 19.685 37.285 5 HB VAL 19 HB VAL 19 -10.983 17.651 36.710 6 HG11 VAL 19 HG11 VAL 19 -12.828 16.013 36.445 7 HG12 VAL 19 HG12 VAL 19 -13.331 16.838 34.950 8 HG13 VAL 19 HG13 VAL 19 -11.751 16.051 35.050 9 HG21 VAL 19 HG21 VAL 19 -12.139 18.971 34.227 10 HG22 VAL 19 HG22 VAL 19 -10.821 19.622 35.234 11 HG23 VAL 19 HG23 VAL 19 -10.607 18.095 34.360 12 H ALA 20 H ALA 20 -13.169 21.185 36.095 13 HA ALA 20 HA ALA 20 -15.520 20.620 34.469 14 HB1 ALA 20 HB1 ALA 20 -17.031 22.127 35.746 15 HB2 ALA 20 HB2 ALA 20 -16.552 20.736 36.728 16 HB3 ALA 20 HB3 ALA 20 -15.788 22.319 36.999 17 H ASN 21 H ASN 21 -16.276 22.458 33.321 18 HA ASN 21 HA ASN 21 -14.366 24.745 33.027 19 HB2 ASN 21 HB2 ASN 21 -14.601 24.607 30.684 20 HB3 ASN 21 HB3 ASN 21 -14.355 22.952 31.207 21 HD21 ASN 21 HD22 ASN 21 -16.057 24.661 29.012 22 HD22 ASN 21 HD21 ASN 21 -17.510 23.683 28.946 23 H GLU 22 H GLU 22 -15.515 26.512 31.524 24 HA GLU 22 HA GLU 22 -18.307 27.086 32.223 25 HB2 GLU 22 HB2 GLU 22 -15.949 28.854 33.041 26 HB3 GLU 22 HB3 GLU 22 -17.606 29.440 32.892 27 HG2 GLU 22 HG2 GLU 22 -18.343 27.764 34.580 28 HG3 GLU 22 HG3 GLU 22 -16.653 27.297 34.825 29 H GLU 23 H GLU 23 -19.053 29.039 30.946 30 HA GLU 23 HA GLU 23 -18.080 28.907 28.210 31 HB2 GLU 23 HB2 GLU 23 -20.268 30.567 29.531 32 HB3 GLU 23 HB3 GLU 23 -19.990 30.441 27.789 33 HG2 GLU 23 HG3 GLU 23 -20.377 27.982 27.908 34 HG3 GLU 23 HG2 GLU 23 -20.773 28.140 29.622 35 H THR 24 H THR 24 -16.445 30.371 30.493 36 HA THR 24 HA THR 24 -16.220 33.135 29.568 37 HB THR 24 HB THR 24 -14.286 33.155 31.192 38 HG1 THR 24 HG1 THR 24 -14.078 31.373 32.540 39 HG21 THR 24 HG21 THR 24 -15.668 33.029 33.202 40 HG22 THR 24 HG22 THR 24 -16.581 33.795 31.892 41 HG23 THR 24 HG23 THR 24 -16.915 32.106 32.334 42 H ASP 25 H ASP 25 -14.093 34.060 28.964 43 HA ASP 25 HA ASP 25 -12.153 32.318 27.605 44 HB2 ASP 25 HB3 ASP 25 -13.865 32.638 25.870 45 HB3 ASP 25 HB2 ASP 25 -13.833 34.384 26.125 46 H THR 26 H THR 26 -10.153 33.233 27.447 47 HA THR 26 HA THR 26 -9.699 36.082 28.177 48 HB THR 26 HB THR 26 -7.837 35.366 29.673 49 HG1 THR 26 HG1 THR 26 -7.782 33.213 30.331 50 HG21 THR 26 HG21 THR 26 -10.482 34.161 30.572 51 HG22 THR 26 HG22 THR 26 -9.144 34.731 31.591 52 HG23 THR 26 HG23 THR 26 -10.078 35.892 30.633 53 H ALA 27 H ALA 27 -9.276 33.961 25.761 54 HA ALA 27 HA ALA 27 -6.816 33.529 25.011 55 HB1 ALA 27 HB1 ALA 27 -7.576 33.769 22.671 56 HB2 ALA 27 HB2 ALA 27 -8.789 32.993 23.700 57 HB3 ALA 27 HB3 ALA 27 -8.981 34.699 23.231 58 H THR 28 H THR 28 -5.207 34.243 23.878 59 HA THR 28 HA THR 28 -4.669 37.090 23.257 60 HB THR 28 HB THR 28 -2.890 35.484 25.151 61 HG1 THR 28 HG1 THR 28 -4.739 36.397 26.135 62 HG21 THR 28 HG21 THR 28 -2.566 38.313 24.053 63 HG22 THR 28 HG22 THR 28 -1.656 37.654 25.430 64 HG23 THR 28 HG23 THR 28 -1.451 36.939 23.835 65 H PHE 29 H PHE 29 -2.960 37.333 21.732 66 HA PHE 29 HA PHE 29 -2.685 35.388 19.760 67 HB2 PHE 29 HB3 PHE 29 -0.863 36.786 18.874 68 HB3 PHE 29 HB2 PHE 29 -2.295 37.694 19.304 69 HD1 PHE 29 HD2 PHE 29 1.226 36.967 20.267 70 HD2 PHE 29 HD1 PHE 29 -2.247 39.415 21.023 71 HE1 PHE 29 HE2 PHE 29 2.605 38.505 21.646 72 HE2 PHE 29 HE1 PHE 29 -0.866 40.943 22.407 73 HZ PHE 29 HZ PHE 29 1.560 40.491 22.722 74 H ASN 30 H ASN 30 -1.200 33.946 19.107 75 HA ASN 30 HA ASN 30 1.083 33.113 20.829 76 HB2 ASN 30 HB3 ASN 30 -1.467 31.577 20.223 77 HB3 ASN 30 HB2 ASN 30 0.045 30.696 20.260 78 HD21 ASN 30 HD21 ASN 30 -2.073 32.760 22.346 79 HD22 ASN 30 HD22 ASN 30 -1.421 32.053 23.813 80 H ASP 31 H ASP 31 2.335 31.318 19.684 81 HA ASP 31 HA ASP 31 2.228 31.449 16.726 82 HB2 ASP 31 HB2 ASP 31 4.549 31.934 16.494 83 HB3 ASP 31 HB3 ASP 31 3.781 33.218 17.409 84 H ASP 32 H ASP 32 2.563 29.593 15.757 85 HA ASP 32 HA ASP 32 2.753 27.177 17.303 86 HB2 ASP 32 HB2 ASP 32 1.306 27.634 15.269 87 HB3 ASP 32 HB3 ASP 32 2.763 27.496 14.279 88 H ALA 33 H ALA 33 4.050 25.297 16.583 89 HA ALA 33 HA ALA 33 6.071 24.259 16.872 90 HB1 ALA 33 HB1 ALA 33 6.526 25.713 14.248 91 HB2 ALA 33 HB2 ALA 33 7.344 24.234 14.787 92 HB3 ALA 33 HB3 ALA 33 5.595 24.209 14.467 93 HA PRO 34 HA PRO 34 8.430 27.777 18.735 94 HB2 PRO 34 HB3 PRO 34 8.689 25.819 20.958 95 HB3 PRO 34 HB2 PRO 34 8.266 27.540 21.042 96 HG2 PRO 34 HG3 PRO 34 6.462 25.442 21.402 97 HG3 PRO 34 HG2 PRO 34 5.997 27.001 20.757 98 HD2 PRO 34 HD3 PRO 34 6.484 24.440 19.300 99 HD3 PRO 34 HD2 PRO 34 5.353 25.768 18.911 100 H SER 35 H SER 35 10.588 27.958 18.760 101 HA SER 35 HA SER 35 12.329 25.546 18.515 102 HB2 SER 35 HB2 SER 35 12.997 28.509 18.147 103 HB3 SER 35 HB3 SER 35 14.139 27.164 17.941 104 HG SER 35 HG SER 35 13.221 27.863 15.943 105 H GLY 36 H GLY 36 11.273 25.374 20.714 106 HA2 GLY 36 HA2 GLY 36 12.861 25.119 22.841 107 HA3 GLY 36 HA3 GLY 36 12.566 26.864 22.921 108 H ALA 37 H ALA 37 10.416 24.096 22.138 109 HA ALA 37 HA ALA 37 8.186 25.222 23.604 110 HB1 ALA 37 HB1 ALA 37 7.930 23.812 21.595 111 HB2 ALA 37 HB2 ALA 37 8.503 22.401 22.528 112 HB3 ALA 37 HB3 ALA 37 6.984 23.239 22.958 113 H THR 38 H THR 38 7.183 23.148 24.858 114 HA THR 38 HA THR 38 8.636 22.008 26.926 115 HB THR 38 HB THR 38 7.684 23.228 28.947 116 HG1 THR 38 HG1 THR 38 7.673 25.409 27.165 117 HG21 THR 38 HG21 THR 38 9.652 24.327 29.327 118 HG22 THR 38 HG22 THR 38 10.118 23.194 28.029 119 HG23 THR 38 HG23 THR 38 9.803 24.899 27.655 120 H CYS 39 H CYS 39 7.169 21.347 28.906 121 HA CYS 39 HA CYS 39 4.673 20.159 27.833 122 HB2 CYS 39 HB3 CYS 39 6.249 18.695 28.966 123 HB3 CYS 39 HB2 CYS 39 6.445 19.725 30.297 124 H ARG 40 H ARG 40 2.694 21.283 28.376 125 HA ARG 40 HA ARG 40 2.819 23.627 30.083 126 HB2 ARG 40 HB2 ARG 40 0.614 23.910 29.599 127 HB3 ARG 40 HB3 ARG 40 1.273 23.118 28.186 128 HG2 ARG 40 HG2 ARG 40 -0.353 21.556 28.366 129 HG3 ARG 40 HG3 ARG 40 0.415 20.960 29.795 130 HD2 ARG 40 HD3 ARG 40 -1.828 22.988 29.575 131 HD3 ARG 40 HD2 ARG 40 -1.825 21.368 30.275 132 HE ARG 40 HE ARG 40 0.003 23.041 31.713 133 HH11 ARG 40 HH12 ARG 40 -3.456 22.552 31.459 134 HH12 ARG 40 HH11 ARG 40 -3.724 23.082 33.098 135 HH21 ARG 40 HH22 ARG 40 -0.385 23.657 33.743 136 HH22 ARG 40 HH21 ARG 40 -2.012 23.704 34.363 137 H ILE 41 H ILE 41 2.599 20.325 30.862 138 HA ILE 41 HA ILE 41 1.232 20.675 33.413 139 HB ILE 41 HB ILE 41 2.622 18.270 32.221 140 HG12 ILE 41 HG12 ILE 41 -0.350 18.827 32.627 141 HG13 ILE 41 HG13 ILE 41 0.480 19.198 31.128 142 HG21 ILE 41 HG21 ILE 41 2.657 18.052 34.665 143 HG22 ILE 41 HG22 ILE 41 0.921 18.433 34.743 144 HG23 ILE 41 HG23 ILE 41 1.496 16.931 33.986 145 HD11 ILE 41 HD11 ILE 41 -0.760 17.091 30.999 146 HD12 ILE 41 HD12 ILE 41 0.963 16.903 30.663 147 HD13 ILE 41 HD13 ILE 41 0.296 16.385 32.231 148 H CYS 42 H CYS 42 4.745 20.059 32.379 149 HA CYS 42 HA CYS 42 5.315 20.984 35.225 150 HB2 CYS 42 HB3 CYS 42 7.170 19.425 35.262 151 HB3 CYS 42 HB2 CYS 42 5.627 18.613 35.002 152 H ARG 43 H ARG 43 5.705 22.009 32.116 153 HA ARG 43 HA ARG 43 7.059 23.402 31.017 154 HB2 ARG 43 HB2 ARG 43 7.240 24.746 33.711 155 HB3 ARG 43 HB3 ARG 43 7.968 25.420 32.251 156 HG2 ARG 43 HG2 ARG 43 5.004 24.758 32.548 157 HG3 ARG 43 HG3 ARG 43 5.723 26.363 32.710 158 HD2 ARG 43 HD2 ARG 43 6.521 26.246 30.349 159 HD3 ARG 43 HD3 ARG 43 5.750 24.662 30.178 160 HE ARG 43 HE ARG 43 3.881 26.696 31.044 161 HH11 ARG 43 HH22 ARG 43 5.434 25.416 28.135 162 HH12 ARG 43 HH21 ARG 43 4.052 25.871 27.145 163 HH21 ARG 43 HH12 ARG 43 2.249 27.318 29.608 164 HH22 ARG 43 HH11 ARG 43 2.419 26.902 27.911 165 H GLY 44 H GLY 44 7.872 21.261 31.275 166 HA2 GLY 44 HA2 GLY 44 10.883 21.287 31.531 167 HA3 GLY 44 HA3 GLY 44 9.950 19.799 31.542 168 H GLU 45 H GLU 45 12.090 21.194 29.726 169 HA GLU 45 HA GLU 45 10.933 21.407 27.055 170 HB2 GLU 45 HB2 GLU 45 13.772 20.780 27.880 171 HB3 GLU 45 HB3 GLU 45 13.244 21.311 26.287 172 HG2 GLU 45 HG2 GLU 45 12.490 23.476 27.224 173 HG3 GLU 45 HG3 GLU 45 13.041 22.987 28.827 174 H ALA 46 H ALA 46 11.062 20.022 25.396 175 HA ALA 46 HA ALA 46 10.490 17.309 25.658 176 HB1 ALA 46 HB1 ALA 46 11.892 18.650 23.301 177 HB2 ALA 46 HB2 ALA 46 11.223 17.011 23.261 178 HB3 ALA 46 HB3 ALA 46 10.143 18.386 23.485 179 H THR 47 H THR 47 11.511 15.392 25.175 180 HA THR 47 HA THR 47 14.502 15.285 25.354 181 HB THR 47 HB THR 47 14.647 13.533 26.818 182 HG1 THR 47 HG1 THR 47 12.897 12.362 27.570 183 HG21 THR 47 HG21 THR 47 14.008 15.646 27.928 184 HG22 THR 47 HG22 THR 47 12.315 15.074 27.958 185 HG23 THR 47 HG23 THR 47 13.581 14.177 28.840 186 H GLU 48 H GLU 48 15.346 13.048 24.906 187 HA GLU 48 HA GLU 48 14.708 12.440 22.211 188 HB2 GLU 48 HB2 GLU 48 16.496 11.163 24.312 189 HB3 GLU 48 HB3 GLU 48 16.603 10.764 22.588 190 HG2 GLU 48 HG2 GLU 48 17.161 13.152 22.082 191 HG3 GLU 48 HG3 GLU 48 17.206 13.488 23.814 192 H ASP 49 H ASP 49 12.958 11.515 24.650 193 HA ASP 49 HA ASP 49 12.042 8.964 23.429 194 HB2 ASP 49 HB2 ASP 49 13.771 8.275 25.093 195 HB3 ASP 49 HB3 ASP 49 12.877 9.119 26.356 196 H ASN 50 H ASN 50 11.664 11.474 25.691 197 HA ASN 50 HA ASN 50 8.706 11.316 25.599 198 HB2 ASN 50 HB2 ASN 50 9.728 10.511 27.778 199 HB3 ASN 50 HB3 ASN 50 10.561 12.052 27.935 200 HD21 ASN 50 HD22 ASN 50 9.622 13.416 29.224 201 HD22 ASN 50 HD21 ASN 50 7.947 13.300 29.627 202 HA PRO 51 HA PRO 51 9.883 15.408 23.977 203 HB2 PRO 51 HB3 PRO 51 9.082 15.136 21.407 204 HB3 PRO 51 HB2 PRO 51 10.498 14.213 21.973 205 HG2 PRO 51 HG3 PRO 51 7.583 13.255 21.980 206 HG3 PRO 51 HG2 PRO 51 8.990 12.540 21.157 207 HD2 PRO 51 HD3 PRO 51 8.352 11.639 23.576 208 HD3 PRO 51 HD2 PRO 51 10.045 11.897 23.077 209 H LEU 52 H LEU 52 8.474 16.490 22.539 210 HA LEU 52 HA LEU 52 5.691 16.916 23.608 211 HB2 LEU 52 HB2 LEU 52 7.478 19.119 22.597 212 HB3 LEU 52 HB3 LEU 52 5.942 19.299 23.404 213 HG LEU 52 HG LEU 52 8.280 17.938 24.829 214 HD11 LEU 52 HD11 LEU 52 7.578 20.833 24.906 215 HD12 LEU 52 HD12 LEU 52 8.777 19.961 25.937 216 HD13 LEU 52 HD13 LEU 52 9.065 20.128 24.203 217 HD21 LEU 52 HD21 LEU 52 6.223 17.514 25.821 218 HD22 LEU 52 HD22 LEU 52 7.084 18.666 26.832 219 HD23 LEU 52 HD23 LEU 52 5.747 19.239 25.804 220 H PHE 53 H PHE 53 3.959 17.399 22.359 221 HA PHE 53 HA PHE 53 4.006 17.470 19.466 222 HB2 PHE 53 HB2 PHE 53 2.815 15.333 19.234 223 HB3 PHE 53 HB3 PHE 53 4.389 15.041 19.940 224 HD1 PHE 53 HD1 PHE 53 4.579 14.673 22.478 225 HD2 PHE 53 HD2 PHE 53 0.799 14.632 20.390 226 HE1 PHE 53 HE1 PHE 53 3.473 13.787 24.488 227 HE2 PHE 53 HE2 PHE 53 -0.289 13.679 22.400 228 HZ PHE 53 HZ PHE 53 1.036 13.344 24.493 229 H HIS 54 H HIS 54 1.276 16.807 19.177 230 HA HIS 54 HA HIS 54 -0.162 18.464 21.188 231 HB2 HIS 54 HB2 HIS 54 -1.442 19.476 19.280 232 HB3 HIS 54 HB3 HIS 54 0.208 20.010 19.561 233 HD1 HIS 54 HD1 HIS 54 -1.216 17.200 17.273 234 HD2 HIS 54 HD2 HIS 54 1.441 20.454 17.346 235 HE1 HIS 54 HE1 HIS 54 -0.192 17.343 14.925 236 HA PRO 55 HA PRO 55 -2.763 14.688 20.802 237 HB2 PRO 55 HB3 PRO 55 -4.014 14.848 23.215 238 HB3 PRO 55 HB2 PRO 55 -2.312 14.438 23.152 239 HG2 PRO 55 HG3 PRO 55 -3.578 17.207 23.472 240 HG3 PRO 55 HG2 PRO 55 -2.503 16.455 24.577 241 HD2 PRO 55 HD3 PRO 55 -1.548 18.145 22.699 242 HD3 PRO 55 HD2 PRO 55 -0.621 16.654 23.022 243 H CYS 56 H CYS 56 -3.575 17.893 21.304 244 HA CYS 56 HA CYS 56 -6.340 17.656 20.354 245 HB2 CYS 56 HB3 CYS 56 -6.602 17.511 22.714 246 HB3 CYS 56 HB2 CYS 56 -5.579 18.949 22.881 247 H LYS 57 H LYS 57 -7.260 19.859 20.124 248 HA LYS 57 HA LYS 57 -5.671 21.605 18.374 249 HB2 LYS 57 HB2 LYS 57 -8.547 21.171 19.138 250 HB3 LYS 57 HB3 LYS 57 -8.112 22.499 18.034 251 HG2 LYS 57 HG2 LYS 57 -7.302 19.615 17.547 252 HG3 LYS 57 HG3 LYS 57 -8.808 20.306 16.924 253 HD2 LYS 57 HD2 LYS 57 -7.395 22.063 15.755 254 HD3 LYS 57 HD3 LYS 57 -5.958 21.137 16.231 255 HE2 LYS 57 HE2 LYS 57 -6.866 19.126 15.091 256 HE3 LYS 57 HE3 LYS 57 -8.293 20.045 14.598 257 HZ1 LYS 57 HZ1 LYS 57 -5.504 20.659 13.764 258 HZ2 LYS 57 HZ2 LYS 57 -6.635 19.953 12.826 259 HZ3 LYS 57 HZ3 LYS 57 -6.831 21.499 13.300 260 H CYS 58 H CYS 58 -5.507 21.657 21.511 261 HA CYS 58 HA CYS 58 -6.418 24.068 22.434 262 HB2 CYS 58 HB2 CYS 58 -3.690 23.356 23.329 263 HB3 CYS 58 HB3 CYS 58 -5.114 23.862 24.228 264 H ARG 59 H ARG 59 -4.280 23.836 19.897 265 HA ARG 59 HA ARG 59 -3.077 25.193 18.570 266 HB2 ARG 59 HB2 ARG 59 -5.349 26.046 18.353 267 HB3 ARG 59 HB3 ARG 59 -5.084 27.183 19.663 268 HG2 ARG 59 HG2 ARG 59 -5.008 28.354 17.568 269 HG3 ARG 59 HG3 ARG 59 -3.424 28.414 18.316 270 HD2 ARG 59 HD2 ARG 59 -3.097 28.036 15.971 271 HD3 ARG 59 HD3 ARG 59 -2.676 26.547 16.794 272 HE ARG 59 HE ARG 59 -4.487 25.459 15.799 273 HH11 ARG 59 HH22 ARG 59 -4.835 28.885 15.118 274 HH12 ARG 59 HH21 ARG 59 -6.112 28.614 13.966 275 HH21 ARG 59 HH12 ARG 59 -6.125 25.199 14.323 276 HH22 ARG 59 HH11 ARG 59 -6.814 26.586 13.533 277 H GLY 60 H GLY 60 -3.110 26.899 21.745 278 HA2 GLY 60 HA2 GLY 60 -0.812 28.573 20.918 279 HA3 GLY 60 HA3 GLY 60 -1.713 28.664 22.431 280 H SER 61 H SER 61 0.744 28.876 22.974 281 HA SER 61 HA SER 61 2.346 26.496 23.123 282 HB2 SER 61 HB2 SER 61 2.621 29.156 24.607 283 HB3 SER 61 HB3 SER 61 3.889 27.921 24.455 284 HG SER 61 HG SER 61 4.086 29.606 22.889 285 H ILE 62 H ILE 62 -0.117 26.030 24.277 286 HA ILE 62 HA ILE 62 0.731 24.869 26.870 287 HB ILE 62 HB ILE 62 -1.779 24.882 27.449 288 HG12 ILE 62 HG12 ILE 62 -2.947 26.972 26.730 289 HG13 ILE 62 HG13 ILE 62 -1.773 27.241 25.478 290 HG21 ILE 62 HG21 ILE 62 -1.507 27.052 28.574 291 HG22 ILE 62 HG22 ILE 62 -0.020 26.105 28.650 292 HG23 ILE 62 HG23 ILE 62 -0.152 27.458 27.498 293 HD11 ILE 62 HD11 ILE 62 -2.561 25.346 24.235 294 HD12 ILE 62 HD12 ILE 62 -3.438 24.698 25.654 295 HD13 ILE 62 HD13 ILE 62 -4.003 26.168 24.833 296 H LYS 63 H LYS 63 -0.998 24.393 23.786 297 HA LYS 63 HA LYS 63 -1.788 21.837 24.036 298 HB2 LYS 63 HB2 LYS 63 -1.787 21.563 21.715 299 HB3 LYS 63 HB3 LYS 63 -2.018 23.288 21.981 300 HG2 LYS 63 HG2 LYS 63 0.398 23.674 21.433 301 HG3 LYS 63 HG3 LYS 63 0.572 21.944 21.093 302 HD2 LYS 63 HD2 LYS 63 -1.186 22.067 19.374 303 HD3 LYS 63 HD3 LYS 63 -1.433 23.778 19.698 304 HE2 LYS 63 HE3 LYS 63 1.233 22.631 18.769 305 HE3 LYS 63 HE2 LYS 63 -0.033 23.157 17.657 306 HZ1 LYS 63 HZ1 LYS 63 0.086 25.385 18.725 307 HZ2 LYS 63 HZ2 LYS 63 1.388 24.885 19.594 308 HZ3 LYS 63 HZ3 LYS 63 1.451 24.924 17.942 309 H TYR 64 H TYR 64 1.520 22.750 23.835 310 HA TYR 64 HA TYR 64 2.620 20.126 23.379 311 HB2 TYR 64 HB3 TYR 64 3.850 22.665 24.481 312 HB3 TYR 64 HB2 TYR 64 4.748 21.167 24.161 313 HD1 TYR 64 HD1 TYR 64 4.448 20.072 21.838 314 HD2 TYR 64 HD2 TYR 64 3.653 24.227 22.682 315 HE1 TYR 64 HE1 TYR 64 4.608 20.557 19.446 316 HE2 TYR 64 HE2 TYR 64 3.805 24.734 20.259 317 HH TYR 64 HH TYR 64 4.416 22.194 17.798 318 H MET 65 H MET 65 3.216 18.594 24.622 319 HA MET 65 HA MET 65 3.198 18.659 27.589 320 HB2 MET 65 HB2 MET 65 1.114 17.153 25.934 321 HB3 MET 65 HB3 MET 65 1.581 16.660 27.559 322 HG2 MET 65 HG2 MET 65 0.852 18.828 28.457 323 HG3 MET 65 HG3 MET 65 0.269 19.294 26.845 324 HE1 MET 65 HE1 MET 65 -2.896 18.394 29.190 325 HE2 MET 65 HE2 MET 65 -1.314 18.936 29.788 326 HE3 MET 65 HE3 MET 65 -2.050 19.726 28.368 327 H HIS 66 H HIS 66 4.415 16.927 28.427 328 HA HIS 66 HA HIS 66 5.960 15.323 26.541 329 HB2 HIS 66 HB2 HIS 66 5.582 14.852 29.500 330 HB3 HIS 66 HB3 HIS 66 6.689 14.098 28.419 331 HD2 HIS 66 HD2 HIS 66 8.477 16.087 27.135 332 HE1 HIS 66 HE1 HIS 66 8.696 18.304 30.730 333 HE2 HIS 66 HE2 HIS 66 9.907 17.784 28.541 334 H GLU 67 H GLU 67 5.810 12.976 26.279 335 HA GLU 67 HA GLU 67 3.155 11.973 25.916 336 HB2 GLU 67 HB3 GLU 67 5.207 11.161 24.736 337 HB3 GLU 67 HB2 GLU 67 5.730 10.372 26.230 338 HG2 GLU 67 HG2 GLU 67 3.620 9.019 26.219 339 HG3 GLU 67 HG3 GLU 67 3.148 9.797 24.708 340 H SER 68 H SER 68 5.544 11.228 28.520 341 HA SER 68 HA SER 68 3.799 9.586 30.074 342 HB2 SER 68 HB2 SER 68 6.190 11.302 30.876 343 HB3 SER 68 HB3 SER 68 5.372 10.153 31.957 344 HG SER 68 HG SER 68 7.184 9.208 30.901 345 H CYS 69 H CYS 69 4.407 13.163 30.293 346 HA CYS 69 HA CYS 69 2.737 13.629 32.546 347 HB2 CYS 69 HB2 CYS 69 3.545 15.429 30.236 348 HB3 CYS 69 HB3 CYS 69 2.667 15.977 31.662 349 H LEU 70 H LEU 70 1.873 13.608 29.041 350 HA LEU 70 HA LEU 70 -0.886 14.360 29.419 351 HB2 LEU 70 HB2 LEU 70 0.055 14.399 27.160 352 HB3 LEU 70 HB3 LEU 70 0.486 12.688 27.263 353 HG LEU 70 HG LEU 70 -1.966 12.130 27.307 354 HD11 LEU 70 HD11 LEU 70 -3.571 13.959 26.791 355 HD12 LEU 70 HD12 LEU 70 -2.802 14.214 28.347 356 HD13 LEU 70 HD13 LEU 70 -2.258 15.135 26.915 357 HD21 LEU 70 HD21 LEU 70 -0.683 12.260 25.212 358 HD22 LEU 70 HD22 LEU 70 -2.372 12.684 24.978 359 HD23 LEU 70 HD23 LEU 70 -1.148 13.975 25.043 360 H LEU 71 H LEU 71 0.738 11.169 29.266 361 HA LEU 71 HA LEU 71 -1.585 9.601 29.575 362 HB2 LEU 71 HB2 LEU 71 1.371 9.218 29.804 363 HB3 LEU 71 HB3 LEU 71 0.408 8.053 30.682 364 HG LEU 71 HG LEU 71 -0.730 7.306 28.714 365 HD11 LEU 71 HD11 LEU 71 -0.946 9.394 27.397 366 HD12 LEU 71 HD12 LEU 71 0.803 9.378 27.093 367 HD13 LEU 71 HD13 LEU 71 -0.232 8.091 26.449 368 HD21 LEU 71 HD21 LEU 71 2.260 7.638 28.214 369 HD22 LEU 71 HD22 LEU 71 1.494 6.372 29.198 370 HD23 LEU 71 HD23 LEU 71 1.210 6.418 27.449 371 H GLU 72 H GLU 72 0.237 11.342 32.013 372 HA GLU 72 HA GLU 72 -1.114 10.002 34.290 373 HB2 GLU 72 HB2 GLU 72 0.646 12.479 34.179 374 HB3 GLU 72 HB3 GLU 72 -0.097 11.790 35.628 375 HG2 GLU 72 HG2 GLU 72 1.855 10.285 33.808 376 HG3 GLU 72 HG3 GLU 72 2.372 11.234 35.186 377 H TRP 73 H TRP 73 -1.322 13.005 32.405 378 HA TRP 73 HA TRP 73 -3.011 14.559 34.044 379 HB2 TRP 73 HB3 TRP 73 -1.710 15.025 31.892 380 HB3 TRP 73 HB2 TRP 73 -3.032 14.430 31.006 381 HD1 TRP 73 HD1 TRP 73 -2.765 17.227 33.648 382 HE1 TRP 73 HE1 TRP 73 -4.334 19.082 32.874 383 HE3 TRP 73 HE3 TRP 73 -4.628 15.016 29.459 384 HZ2 TRP 73 HZ2 TRP 73 -5.999 19.685 30.539 385 HZ3 TRP 73 HZ3 TRP 73 -6.272 16.195 28.018 386 HH2 TRP 73 HH2 TRP 73 -6.932 18.544 28.520 387 H VAL 74 H VAL 74 -3.874 12.572 31.202 388 HA VAL 74 HA VAL 74 -6.712 12.578 31.675 389 HB VAL 74 HB VAL 74 -6.758 10.649 30.122 390 HG11 VAL 74 HG11 VAL 74 -6.466 12.979 29.225 391 HG12 VAL 74 HG12 VAL 74 -4.712 12.677 29.140 392 HG13 VAL 74 HG13 VAL 74 -5.835 11.709 28.166 393 HG21 VAL 74 HG21 VAL 74 -4.596 9.821 29.106 394 HG22 VAL 74 HG22 VAL 74 -3.741 10.612 30.441 395 HG23 VAL 74 HG23 VAL 74 -4.881 9.306 30.773 396 H ALA 75 H ALA 75 -4.168 10.859 33.172 397 HA ALA 75 HA ALA 75 -6.000 8.815 34.352 398 HB1 ALA 75 HB1 ALA 75 -3.028 9.170 34.823 399 HB2 ALA 75 HB2 ALA 75 -4.036 7.814 35.341 400 HB3 ALA 75 HB3 ALA 75 -3.770 8.091 33.616 401 H SER 76 H SER 76 -5.359 12.006 35.020 402 HA SER 76 HA SER 76 -5.897 11.722 37.964 403 HB2 SER 76 HB2 SER 76 -4.753 14.082 36.421 404 HB3 SER 76 HB3 SER 76 -5.002 13.984 38.172 405 HG SER 76 HG SER 76 -3.262 12.392 36.574 406 H LYS 77 H LYS 77 -7.443 12.345 35.047 407 HA LYS 77 HA LYS 77 -9.328 14.415 35.756 408 HB2 LYS 77 HB3 LYS 77 -8.922 12.418 33.500 409 HB3 LYS 77 HB2 LYS 77 -10.183 13.611 33.471 410 HG2 LYS 77 HG3 LYS 77 -7.311 14.432 33.867 411 HG3 LYS 77 HG2 LYS 77 -7.940 14.102 32.324 412 HD2 LYS 77 HD2 LYS 77 -9.694 15.916 32.737 413 HD3 LYS 77 HD3 LYS 77 -8.861 16.238 34.283 414 HE2 LYS 77 HE2 LYS 77 -6.742 16.650 33.017 415 HE3 LYS 77 HE3 LYS 77 -7.623 16.425 31.501 416 HZ1 LYS 77 HZ1 LYS 77 -9.042 18.326 32.149 417 HZ2 LYS 77 HZ2 LYS 77 -8.160 18.552 33.514 418 HZ3 LYS 77 HZ3 LYS 77 -7.474 18.767 32.050 419 H ASN 78 H ASN 78 -9.187 11.459 37.013 420 HA ASN 78 HA ASN 78 -10.630 10.114 38.099 421 HB2 ASN 78 HB3 ASN 78 -12.138 11.247 39.174 422 HB3 ASN 78 HB2 ASN 78 -11.943 12.590 38.127 423 HD21 ASN 78 HD22 ASN 78 -13.307 12.534 36.055 424 HD22 ASN 78 HD21 ASN 78 -14.981 12.000 36.288 425 H ILE 79 H ILE 79 -9.782 9.641 35.503 426 HA ILE 79 HA ILE 79 -11.753 7.656 34.533 427 HB ILE 79 HB ILE 79 -10.252 9.283 32.494 428 HG12 ILE 79 HG12 ILE 79 -12.824 10.301 33.767 429 HG13 ILE 79 HG13 ILE 79 -11.241 11.074 33.753 430 HG21 ILE 79 HG21 ILE 79 -11.537 7.237 31.832 431 HG22 ILE 79 HG22 ILE 79 -13.020 7.984 32.463 432 HG23 ILE 79 HG23 ILE 79 -12.172 8.670 31.063 433 HD11 ILE 79 HD11 ILE 79 -12.999 10.731 31.319 434 HD12 ILE 79 HD12 ILE 79 -12.653 12.213 32.218 435 HD13 ILE 79 HD13 ILE 79 -11.348 11.411 31.338 436 H ASP 80 H ASP 80 -10.716 6.021 33.138 437 HA ASP 80 HA ASP 80 -7.756 5.740 33.420 438 HB2 ASP 80 HB2 ASP 80 -8.915 4.487 35.186 439 HB3 ASP 80 HB3 ASP 80 -9.885 3.649 33.983 440 H ILE 81 H ILE 81 -6.963 5.744 31.441 441 HA ILE 81 HA ILE 81 -8.392 5.256 29.030 442 HB ILE 81 HB ILE 81 -6.184 5.326 27.932 443 HG12 ILE 81 HG12 ILE 81 -5.019 5.622 30.744 444 HG13 ILE 81 HG13 ILE 81 -4.818 4.215 29.695 445 HG21 ILE 81 HG21 ILE 81 -5.841 7.667 28.414 446 HG22 ILE 81 HG22 ILE 81 -7.565 7.290 28.518 447 HG23 ILE 81 HG23 ILE 81 -6.617 7.501 30.008 448 HD11 ILE 81 HD11 ILE 81 -2.833 5.569 29.545 449 HD12 ILE 81 HD12 ILE 81 -3.697 5.687 27.997 450 HD13 ILE 81 HD13 ILE 81 -3.768 7.025 29.171 451 H SER 82 H SER 82 -7.029 2.946 31.196 452 HA SER 82 HA SER 82 -6.547 0.892 29.197 453 HB2 SER 82 HB3 SER 82 -5.467 1.022 31.466 454 HB3 SER 82 HB2 SER 82 -7.031 0.605 32.189 455 HG SER 82 HG SER 82 -5.644 -1.225 31.865 456 H LYS 83 H LYS 83 -9.363 2.056 30.944 457 HA LYS 83 HA LYS 83 -10.957 -0.368 30.671 458 HB2 LYS 83 HB2 LYS 83 -11.759 2.491 31.357 459 HB3 LYS 83 HB3 LYS 83 -12.843 1.097 31.410 460 HG2 LYS 83 HG2 LYS 83 -11.323 -0.013 33.056 461 HG3 LYS 83 HG3 LYS 83 -10.317 1.449 33.080 462 HD2 LYS 83 HD2 LYS 83 -12.339 2.767 33.783 463 HD3 LYS 83 HD3 LYS 83 -13.257 1.260 33.887 464 HE2 LYS 83 HE2 LYS 83 -10.725 1.905 35.478 465 HE3 LYS 83 HE3 LYS 83 -12.369 2.112 36.085 466 HZ1 LYS 83 HZ1 LYS 83 -11.461 0.005 36.815 467 HZ2 LYS 83 HZ2 LYS 83 -12.706 -0.292 35.807 468 HZ3 LYS 83 HZ3 LYS 83 -11.164 -0.485 35.291 469 HA PRO 84 HA PRO 84 -12.450 0.409 26.548 470 HB2 PRO 84 HB3 PRO 84 -14.344 -1.507 26.273 471 HB3 PRO 84 HB2 PRO 84 -12.627 -1.872 26.609 472 HG2 PRO 84 HG3 PRO 84 -14.902 -1.675 28.626 473 HG3 PRO 84 HG2 PRO 84 -13.756 -3.038 28.406 474 HD2 PRO 84 HD3 PRO 84 -13.379 -1.004 30.241 475 HD3 PRO 84 HD2 PRO 84 -12.026 -1.874 29.463 476 H GLY 85 H GLY 85 -13.514 2.080 28.677 477 HA2 GLY 85 HA2 GLY 85 -15.945 3.154 27.322 478 HA3 GLY 85 HA3 GLY 85 -15.930 2.956 29.085 479 H ALA 86 H ALA 86 -12.926 3.719 27.508 480 HA ALA 86 HA ALA 86 -12.673 6.217 28.971 481 HB1 ALA 86 HB1 ALA 86 -10.856 4.877 26.923 482 HB2 ALA 86 HB2 ALA 86 -10.417 6.242 27.971 483 HB3 ALA 86 HB3 ALA 86 -10.800 4.665 28.688 484 H ASP 87 H ASP 87 -12.968 8.223 28.342 485 HA ASP 87 HA ASP 87 -12.896 9.104 25.537 486 HB2 ASP 87 HB2 ASP 87 -15.278 8.533 25.903 487 HB3 ASP 87 HB3 ASP 87 -15.321 9.606 27.307 488 H VAL 88 H VAL 88 -10.916 9.465 27.040 489 HA VAL 88 HA VAL 88 -10.962 11.624 28.910 490 HB VAL 88 HB VAL 88 -8.539 11.296 29.009 491 HG11 VAL 88 HG11 VAL 88 -8.544 9.065 29.914 492 HG12 VAL 88 HG12 VAL 88 -10.092 9.830 30.267 493 HG13 VAL 88 HG13 VAL 88 -9.982 8.620 28.976 494 HG21 VAL 88 HG21 VAL 88 -7.384 9.589 27.723 495 HG22 VAL 88 HG22 VAL 88 -8.859 9.179 26.828 496 HG23 VAL 88 HG23 VAL 88 -8.078 10.758 26.601 497 H LYS 89 H LYS 89 -12.021 12.611 26.656 498 HA LYS 89 HA LYS 89 -10.442 14.293 25.024 499 HB2 LYS 89 HB2 LYS 89 -12.536 13.604 24.371 500 HB3 LYS 89 HB3 LYS 89 -13.295 13.904 25.930 501 HG2 LYS 89 HG2 LYS 89 -13.671 16.129 25.547 502 HG3 LYS 89 HG3 LYS 89 -12.390 16.260 24.337 503 HD2 LYS 89 HD3 LYS 89 -14.865 16.242 23.522 504 HD3 LYS 89 HD2 LYS 89 -13.601 15.347 22.675 505 HE2 LYS 89 HE2 LYS 89 -15.584 14.050 22.632 506 HE3 LYS 89 HE3 LYS 89 -14.329 13.244 23.541 507 HZ1 LYS 89 HZ1 LYS 89 -16.768 14.537 24.618 508 HZ2 LYS 89 HZ2 LYS 89 -16.233 12.995 24.853 509 HZ3 LYS 89 HZ3 LYS 89 -15.491 14.229 25.596 510 H CYS 90 H CYS 90 -9.881 16.343 25.063 511 HA CYS 90 HA CYS 90 -9.032 17.571 27.459 512 HB2 CYS 90 HB2 CYS 90 -8.052 17.731 25.161 513 HB3 CYS 90 HB3 CYS 90 -9.444 18.687 24.662 514 H ASP 91 H ASP 91 -10.262 18.586 28.948 515 HA ASP 91 HA ASP 91 -12.995 19.434 28.409 516 HB2 ASP 91 HB2 ASP 91 -11.952 18.394 30.554 517 HB3 ASP 91 HB3 ASP 91 -11.386 19.999 30.934 518 H ILE 92 H ILE 92 -10.498 20.891 27.343 519 HA ILE 92 HA ILE 92 -11.081 23.628 28.305 520 HB ILE 92 HB ILE 92 -8.717 22.463 26.799 521 HG12 ILE 92 HG12 ILE 92 -9.037 23.149 29.747 522 HG13 ILE 92 HG13 ILE 92 -8.753 21.567 29.044 523 HG21 ILE 92 HG21 ILE 92 -9.049 25.268 27.877 524 HG22 ILE 92 HG22 ILE 92 -7.555 24.590 27.171 525 HG23 ILE 92 HG23 ILE 92 -8.973 24.752 26.168 526 HD11 ILE 92 HD11 ILE 92 -6.743 23.833 29.172 527 HD12 ILE 92 HD12 ILE 92 -6.704 22.281 30.020 528 HD13 ILE 92 HD13 ILE 92 -6.502 22.322 28.256 529 H CYS 93 H CYS 93 -10.371 21.716 25.425 530 HA CYS 93 HA CYS 93 -11.494 23.767 23.588 531 HB2 CYS 93 HB2 CYS 93 -9.565 21.627 22.753 532 HB3 CYS 93 HB3 CYS 93 -9.777 23.229 22.079 533 H HIS 94 H HIS 94 -12.105 20.741 24.923 534 HA HIS 94 HA HIS 94 -13.528 19.081 24.593 535 HB2 HIS 94 HB2 HIS 94 -15.029 20.936 22.747 536 HB3 HIS 94 HB3 HIS 94 -15.663 19.513 23.575 537 HD1 HIS 94 HD1 HIS 94 -15.267 19.734 26.467 538 HD2 HIS 94 HD2 HIS 94 -15.357 23.180 24.052 539 HE1 HIS 94 HE1 HIS 94 -15.643 21.697 28.044 540 H TYR 95 H TYR 95 -11.178 18.949 22.962 541 HA TYR 95 HA TYR 95 -12.104 17.229 20.708 542 HB2 TYR 95 HB2 TYR 95 -9.511 18.554 21.353 543 HB3 TYR 95 HB3 TYR 95 -9.509 17.230 20.262 544 HD1 TYR 95 HD1 TYR 95 -10.729 20.622 20.955 545 HD2 TYR 95 HD2 TYR 95 -10.442 17.548 17.981 546 HE1 TYR 95 HE1 TYR 95 -11.731 22.175 19.329 547 HE2 TYR 95 HE2 TYR 95 -11.442 19.112 16.279 548 HH TYR 95 HH TYR 95 -12.410 22.462 17.123 549 HA PRO 96 HA PRO 96 -10.821 13.613 23.060 550 HB2 PRO 96 HB3 PRO 96 -10.277 12.447 20.332 551 HB3 PRO 96 HB2 PRO 96 -11.239 11.763 21.680 552 HG2 PRO 96 HG3 PRO 96 -12.448 12.886 19.496 553 HG3 PRO 96 HG2 PRO 96 -13.077 13.161 21.169 554 HD2 PRO 96 HD3 PRO 96 -11.386 14.976 19.498 555 HD3 PRO 96 HD2 PRO 96 -12.858 15.334 20.437 556 H ILE 97 H ILE 97 -8.910 13.013 23.800 557 HA ILE 97 HA ILE 97 -6.494 14.335 22.855 558 HB ILE 97 HB ILE 97 -7.268 12.523 25.115 559 HG12 ILE 97 HG12 ILE 97 -7.884 14.897 25.254 560 HG13 ILE 97 HG13 ILE 97 -6.813 14.403 26.541 561 HG21 ILE 97 HG21 ILE 97 -4.422 13.344 24.683 562 HG22 ILE 97 HG22 ILE 97 -5.108 12.557 26.120 563 HG23 ILE 97 HG23 ILE 97 -5.076 11.699 24.591 564 HD11 ILE 97 HD11 ILE 97 -5.991 15.989 24.086 565 HD12 ILE 97 HD12 ILE 97 -6.237 16.625 25.711 566 HD13 ILE 97 HD13 ILE 97 -4.905 15.506 25.415 567 H GLN 98 H GLN 98 -4.877 13.571 21.741 568 HA GLN 98 HA GLN 98 -4.920 10.708 20.833 569 HB2 GLN 98 HB2 GLN 98 -4.489 13.246 19.247 570 HB3 GLN 98 HB3 GLN 98 -3.977 11.670 18.647 571 HG2 GLN 98 HG2 GLN 98 -6.807 12.194 19.600 572 HG3 GLN 98 HG3 GLN 98 -6.297 12.473 17.934 573 HE21 GLN 98 HE22 GLN 98 -8.313 10.776 18.064 574 HE22 GLN 98 HE21 GLN 98 -7.770 9.109 17.908 575 H PHE 99 H PHE 99 -3.597 9.985 22.284 576 HA PHE 99 HA PHE 99 -0.771 10.821 22.421 577 HB2 PHE 99 HB2 PHE 99 -0.826 8.616 23.925 578 HB3 PHE 99 HB3 PHE 99 -1.242 10.204 24.481 579 HD1 PHE 99 HD1 PHE 99 -3.023 7.285 22.840 580 HD2 PHE 99 HD2 PHE 99 -3.078 10.343 25.883 581 HE1 PHE 99 HE1 PHE 99 -5.221 6.456 23.642 582 HE2 PHE 99 HE2 PHE 99 -5.269 9.511 26.678 583 HZ PHE 99 HZ PHE 99 -6.350 7.568 25.562 584 H LYS 100 H LYS 100 -0.817 10.521 20.027 585 HA LYS 100 HA LYS 100 -0.858 7.992 18.730 586 HB2 LYS 100 HB2 LYS 100 0.689 10.522 18.015 587 HB3 LYS 100 HB3 LYS 100 0.493 9.146 16.939 588 HG2 LYS 100 HG2 LYS 100 -1.753 10.918 17.975 589 HG3 LYS 100 HG3 LYS 100 -1.033 10.939 16.366 590 HD2 LYS 100 HD2 LYS 100 -1.805 8.509 16.093 591 HD3 LYS 100 HD3 LYS 100 -2.679 8.702 17.617 592 HE2 LYS 100 HE2 LYS 100 -4.278 9.066 15.930 593 HE3 LYS 100 HE3 LYS 100 -3.917 10.651 16.610 594 HZ1 LYS 100 HZ1 LYS 100 -2.469 11.065 14.676 595 HZ2 LYS 100 HZ2 LYS 100 -2.787 9.579 14.072 596 HZ3 LYS 100 HZ3 LYS 100 -3.973 10.691 14.172 597 H THR 101 H THR 101 0.664 6.637 17.927 598 HA THR 101 HA THR 101 3.459 6.664 18.793 599 HB THR 101 HB THR 101 2.353 5.727 20.747 600 HG1 THR 101 HG1 THR 101 3.654 3.920 20.862 601 HG21 THR 101 HG21 THR 101 1.441 3.400 19.004 602 HG22 THR 101 HG22 THR 101 1.277 3.555 20.764 603 HG23 THR 101 HG23 THR 101 0.371 4.638 19.700 Start of MODEL 16 1 H1 VAL 19 H1 VAL 19 -23.312 14.725 -7.930 2 H2 VAL 19 H2 VAL 19 -22.689 16.219 -8.202 3 H3 VAL 19 H3 VAL 19 -23.769 15.991 -7.002 4 HA VAL 19 HA VAL 19 -22.265 14.638 -5.756 5 HB VAL 19 HB VAL 19 -21.143 13.628 -7.675 6 HG11 VAL 19 HG11 VAL 19 -19.228 14.653 -8.781 7 HG12 VAL 19 HG12 VAL 19 -20.681 15.597 -9.109 8 HG13 VAL 19 HG13 VAL 19 -19.490 16.179 -7.922 9 HG21 VAL 19 HG21 VAL 19 -19.101 14.876 -5.800 10 HG22 VAL 19 HG22 VAL 19 -20.152 13.490 -5.393 11 HG23 VAL 19 HG23 VAL 19 -18.968 13.359 -6.700 12 H ALA 20 H ALA 20 -21.188 15.633 -4.070 13 HA ALA 20 HA ALA 20 -20.256 18.427 -4.433 14 HB1 ALA 20 HB1 ALA 20 -21.593 19.163 -2.498 15 HB2 ALA 20 HB2 ALA 20 -22.649 18.487 -3.748 16 HB3 ALA 20 HB3 ALA 20 -22.251 17.523 -2.306 17 H ASN 21 H ASN 21 -19.195 15.607 -3.654 18 HA ASN 21 HA ASN 21 -18.048 15.597 -1.124 19 HB2 ASN 21 HB2 ASN 21 -18.036 13.679 -2.665 20 HB3 ASN 21 HB3 ASN 21 -16.900 14.518 -3.729 21 HD21 ASN 21 HD22 ASN 21 -15.007 13.341 -3.554 22 HD22 ASN 21 HD21 ASN 21 -14.238 12.972 -2.009 23 H GLU 22 H GLU 22 -15.852 15.828 -0.390 24 HA GLU 22 HA GLU 22 -13.796 17.297 -1.453 25 HB2 GLU 22 HB2 GLU 22 -13.800 19.368 -0.147 26 HB3 GLU 22 HB3 GLU 22 -15.087 19.346 -1.339 27 HG2 GLU 22 HG2 GLU 22 -16.723 18.749 0.445 28 HG3 GLU 22 HG3 GLU 22 -15.424 18.806 1.637 29 H GLU 23 H GLU 23 -15.634 16.481 1.301 30 HA GLU 23 HA GLU 23 -14.001 16.326 3.469 31 HB2 GLU 23 HB3 GLU 23 -15.987 14.166 2.669 32 HB3 GLU 23 HB2 GLU 23 -15.319 14.387 4.291 33 HG2 GLU 23 HG2 GLU 23 -16.292 16.685 4.368 34 HG3 GLU 23 HG3 GLU 23 -17.033 16.412 2.789 35 H THR 24 H THR 24 -13.769 13.985 0.862 36 HA THR 24 HA THR 24 -12.021 12.132 2.113 37 HB THR 24 HB THR 24 -11.377 11.480 -0.263 38 HG1 THR 24 HG1 THR 24 -11.685 13.417 -1.326 39 HG21 THR 24 HG21 THR 24 -13.600 10.632 -0.843 40 HG22 THR 24 HG22 THR 24 -13.287 10.432 0.888 41 HG23 THR 24 HG23 THR 24 -14.357 11.734 0.327 42 H ASP 25 H ASP 25 -11.253 15.260 1.289 43 HA ASP 25 HA ASP 25 -8.408 14.980 0.698 44 HB2 ASP 25 HB2 ASP 25 -9.727 16.984 0.079 45 HB3 ASP 25 HB3 ASP 25 -9.965 17.361 1.790 46 H THR 26 H THR 26 -6.632 15.137 2.072 47 HA THR 26 HA THR 26 -7.082 15.322 5.004 48 HB THR 26 HB THR 26 -7.268 12.980 4.333 49 HG1 THR 26 HG1 THR 26 -5.982 12.223 5.970 50 HG21 THR 26 HG21 THR 26 -5.339 11.636 3.757 51 HG22 THR 26 HG22 THR 26 -5.611 12.858 2.508 52 HG23 THR 26 HG23 THR 26 -4.295 13.069 3.685 53 H ALA 27 H ALA 27 -6.050 17.362 3.405 54 HA ALA 27 HA ALA 27 -3.258 17.612 3.320 55 HB1 ALA 27 HB1 ALA 27 -3.684 20.048 3.416 56 HB2 ALA 27 HB2 ALA 27 -4.791 19.226 2.295 57 HB3 ALA 27 HB3 ALA 27 -5.363 19.738 3.902 58 H THR 28 H THR 28 -1.726 17.778 4.759 59 HA THR 28 HA THR 28 -2.159 18.624 7.573 60 HB THR 28 HB THR 28 -0.873 15.961 6.803 61 HG1 THR 28 HG1 THR 28 -3.094 15.805 6.716 62 HG21 THR 28 HG21 THR 28 -1.376 17.231 9.533 63 HG22 THR 28 HG22 THR 28 -0.901 15.538 9.271 64 HG23 THR 28 HG23 THR 28 0.204 16.833 8.811 65 H PHE 29 H PHE 29 -0.340 19.531 8.484 66 HA PHE 29 HA PHE 29 2.228 19.571 6.967 67 HB2 PHE 29 HB3 PHE 29 0.804 21.982 8.162 68 HB3 PHE 29 HB2 PHE 29 2.380 21.980 7.388 69 HD1 PHE 29 HD1 PHE 29 2.569 21.479 4.902 70 HD2 PHE 29 HD2 PHE 29 -1.226 22.104 6.857 71 HE1 PHE 29 HE1 PHE 29 1.491 21.862 2.695 72 HE2 PHE 29 HE2 PHE 29 -2.300 22.482 4.649 73 HZ PHE 29 HZ PHE 29 -0.943 22.361 2.566 74 H ASN 30 H ASN 30 4.049 19.679 8.207 75 HA ASN 30 HA ASN 30 3.735 19.458 11.182 76 HB2 ASN 30 HB3 ASN 30 4.092 17.318 9.876 77 HB3 ASN 30 HB2 ASN 30 5.668 17.940 9.393 78 HD21 ASN 30 HD22 ASN 30 7.177 16.779 10.566 79 HD22 ASN 30 HD21 ASN 30 7.044 16.465 12.290 80 H ASP 31 H ASP 31 4.965 21.670 9.083 81 HA ASP 31 HA ASP 31 7.575 22.081 10.254 82 HB2 ASP 31 HB3 ASP 31 7.771 23.906 8.717 83 HB3 ASP 31 HB2 ASP 31 7.027 22.562 7.870 84 H ASP 32 H ASP 32 5.417 22.118 12.118 85 HA ASP 32 HA ASP 32 5.767 24.762 13.460 86 HB2 ASP 32 HB3 ASP 32 3.524 24.312 12.391 87 HB3 ASP 32 HB2 ASP 32 3.340 22.912 13.431 88 H ALA 33 H ALA 33 7.095 22.021 13.647 89 HA ALA 33 HA ALA 33 6.478 20.782 16.179 90 HB1 ALA 33 HB1 ALA 33 8.827 20.643 14.225 91 HB2 ALA 33 HB2 ALA 33 8.488 19.448 15.492 92 HB3 ALA 33 HB3 ALA 33 7.351 19.657 14.145 93 HA PRO 34 HA PRO 34 8.606 22.694 19.382 94 HB2 PRO 34 HB3 PRO 34 10.478 20.326 19.288 95 HB3 PRO 34 HB2 PRO 34 9.897 21.259 20.716 96 HG2 PRO 34 HG3 PRO 34 8.614 18.968 19.945 97 HG3 PRO 34 HG2 PRO 34 7.635 20.417 20.350 98 HD2 PRO 34 HD3 PRO 34 8.388 19.362 17.620 99 HD3 PRO 34 HD2 PRO 34 6.867 20.104 18.181 100 H SER 35 H SER 35 9.725 24.264 19.468 101 HA SER 35 HA SER 35 12.533 24.591 18.530 102 HB2 SER 35 HB2 SER 35 10.142 26.335 17.850 103 HB3 SER 35 HB3 SER 35 11.829 26.862 17.606 104 HG SER 35 HG SER 35 10.503 24.662 16.371 105 H GLY 36 H GLY 36 11.716 24.065 21.055 106 HA2 GLY 36 HA2 GLY 36 12.597 25.041 23.126 107 HA3 GLY 36 HA3 GLY 36 11.989 26.623 22.616 108 H ALA 37 H ALA 37 10.038 23.824 21.955 109 HA ALA 37 HA ALA 37 7.781 24.798 23.470 110 HB1 ALA 37 HB1 ALA 37 7.461 23.518 21.375 111 HB2 ALA 37 HB2 ALA 37 8.220 22.086 22.121 112 HB3 ALA 37 HB3 ALA 37 6.688 22.703 22.740 113 H THR 38 H THR 38 6.736 23.784 25.171 114 HA THR 38 HA THR 38 8.194 21.860 26.843 115 HB THR 38 HB THR 38 7.909 23.172 28.892 116 HG1 THR 38 HG1 THR 38 7.422 25.436 27.301 117 HG21 THR 38 HG21 THR 38 10.037 23.326 27.499 118 HG22 THR 38 HG22 THR 38 9.449 24.868 26.891 119 HG23 THR 38 HG23 THR 38 9.747 24.658 28.635 120 H CYS 39 H CYS 39 6.953 20.823 28.427 121 HA CYS 39 HA CYS 39 4.281 20.148 27.755 122 HB2 CYS 39 HB3 CYS 39 5.622 18.613 28.866 123 HB3 CYS 39 HB2 CYS 39 6.107 19.643 30.124 124 H ARG 40 H ARG 40 2.425 21.083 28.132 125 HA ARG 40 HA ARG 40 2.114 23.552 29.578 126 HB2 ARG 40 HB2 ARG 40 -0.154 23.457 28.909 127 HB3 ARG 40 HB3 ARG 40 0.825 22.818 27.601 128 HG2 ARG 40 HG2 ARG 40 -0.508 21.053 27.472 129 HG3 ARG 40 HG3 ARG 40 0.067 20.507 29.038 130 HD2 ARG 40 HD2 ARG 40 -1.736 21.683 30.179 131 HD3 ARG 40 HD3 ARG 40 -2.210 22.512 28.705 132 HE ARG 40 HE ARG 40 -3.018 19.871 29.544 133 HH11 ARG 40 HH22 ARG 40 -2.562 21.788 26.625 134 HH12 ARG 40 HH21 ARG 40 -3.941 21.067 25.849 135 HH21 ARG 40 HH12 ARG 40 -4.721 18.944 28.422 136 HH22 ARG 40 HH11 ARG 40 -5.060 19.469 26.802 137 H ILE 41 H ILE 41 2.224 20.352 30.728 138 HA ILE 41 HA ILE 41 0.614 20.900 33.127 139 HB ILE 41 HB ILE 41 1.940 18.384 32.102 140 HG12 ILE 41 HG12 ILE 41 -1.035 18.759 32.388 141 HG13 ILE 41 HG13 ILE 41 -0.254 19.420 30.969 142 HG21 ILE 41 HG21 ILE 41 0.646 17.182 33.860 143 HG22 ILE 41 HG22 ILE 41 1.878 18.238 34.525 144 HG23 ILE 41 HG23 ILE 41 0.173 18.750 34.548 145 HD11 ILE 41 HD11 ILE 41 -1.128 17.059 30.719 146 HD12 ILE 41 HD12 ILE 41 0.568 17.314 30.236 147 HD13 ILE 41 HD13 ILE 41 0.179 16.542 31.781 148 H CYS 42 H CYS 42 4.076 19.934 32.266 149 HA CYS 42 HA CYS 42 4.687 20.804 35.095 150 HB2 CYS 42 HB2 CYS 42 6.414 19.252 35.210 151 HB3 CYS 42 HB3 CYS 42 4.993 18.396 34.583 152 H ARG 43 H ARG 43 5.238 21.961 31.886 153 HA ARG 43 HA ARG 43 6.617 23.366 31.009 154 HB2 ARG 43 HB2 ARG 43 6.637 24.527 33.801 155 HB3 ARG 43 HB3 ARG 43 7.527 25.277 32.478 156 HG2 ARG 43 HG2 ARG 43 4.531 24.729 32.416 157 HG3 ARG 43 HG3 ARG 43 5.292 26.280 32.802 158 HD2 ARG 43 HD2 ARG 43 6.385 26.281 30.542 159 HD3 ARG 43 HD3 ARG 43 5.520 24.786 30.156 160 HE ARG 43 HE ARG 43 3.842 27.063 30.957 161 HH11 ARG 43 HH12 ARG 43 5.204 25.292 28.212 162 HH12 ARG 43 HH11 ARG 43 3.894 25.829 27.167 163 HH21 ARG 43 HH22 ARG 43 2.340 27.790 29.438 164 HH22 ARG 43 HH21 ARG 43 2.451 27.184 27.794 165 H GLY 44 H GLY 44 7.517 21.037 31.122 166 HA2 GLY 44 HA2 GLY 44 10.497 21.390 31.471 167 HA3 GLY 44 HA3 GLY 44 9.667 19.832 31.466 168 H GLU 45 H GLU 45 11.731 21.018 29.680 169 HA GLU 45 HA GLU 45 10.600 21.492 26.991 170 HB2 GLU 45 HB2 GLU 45 13.399 20.695 27.929 171 HB3 GLU 45 HB3 GLU 45 12.983 21.153 26.275 172 HG2 GLU 45 HG2 GLU 45 12.328 23.400 27.001 173 HG3 GLU 45 HG3 GLU 45 12.682 22.992 28.683 174 H ALA 46 H ALA 46 11.454 20.105 25.174 175 HA ALA 46 HA ALA 46 10.312 17.402 25.417 176 HB1 ALA 46 HB1 ALA 46 11.903 18.720 23.158 177 HB2 ALA 46 HB2 ALA 46 11.169 17.107 23.085 178 HB3 ALA 46 HB3 ALA 46 10.136 18.530 23.215 179 H THR 47 H THR 47 11.590 15.501 24.875 180 HA THR 47 HA THR 47 14.533 15.686 25.374 181 HB THR 47 HB THR 47 14.579 13.729 26.836 182 HG1 THR 47 HG1 THR 47 11.798 14.095 27.092 183 HG21 THR 47 HG21 THR 47 14.567 15.957 27.867 184 HG22 THR 47 HG22 THR 47 12.790 15.865 28.027 185 HG23 THR 47 HG23 THR 47 13.827 14.702 28.890 186 H GLU 48 H GLU 48 15.654 13.639 24.840 187 HA GLU 48 HA GLU 48 14.897 12.784 22.230 188 HB2 GLU 48 HB2 GLU 48 16.871 11.707 24.270 189 HB3 GLU 48 HB3 GLU 48 16.822 11.165 22.584 190 HG2 GLU 48 HG2 GLU 48 17.280 13.499 21.821 191 HG3 GLU 48 HG3 GLU 48 17.429 14.013 23.503 192 H ASP 49 H ASP 49 14.152 11.551 25.320 193 HA ASP 49 HA ASP 49 13.253 8.878 24.311 194 HB2 ASP 49 HB2 ASP 49 14.972 8.928 26.111 195 HB3 ASP 49 HB3 ASP 49 13.851 9.822 27.139 196 H ASN 50 H ASN 50 12.138 11.880 25.870 197 HA ASN 50 HA ASN 50 9.398 10.987 25.419 198 HB2 ASN 50 HB2 ASN 50 10.132 10.569 27.860 199 HB3 ASN 50 HB3 ASN 50 10.578 12.280 27.930 200 HD21 ASN 50 HD22 ASN 50 9.243 13.032 29.429 201 HD22 ASN 50 HD21 ASN 50 7.557 12.800 29.298 202 HA PRO 51 HA PRO 51 10.111 14.995 23.235 203 HB2 PRO 51 HB3 PRO 51 8.085 13.277 21.731 204 HB3 PRO 51 HB2 PRO 51 9.227 14.503 21.069 205 HG2 PRO 51 HG3 PRO 51 9.976 11.943 20.933 206 HG3 PRO 51 HG2 PRO 51 11.061 13.189 21.679 207 HD2 PRO 51 HD3 PRO 51 9.492 11.162 23.201 208 HD3 PRO 51 HD2 PRO 51 11.159 11.714 23.313 209 H LEU 52 H LEU 52 8.425 16.320 22.310 210 HA LEU 52 HA LEU 52 5.867 16.321 23.922 211 HB2 LEU 52 HB2 LEU 52 7.325 18.709 22.760 212 HB3 LEU 52 HB3 LEU 52 5.754 18.766 23.532 213 HG LEU 52 HG LEU 52 8.101 17.637 25.052 214 HD11 LEU 52 HD11 LEU 52 8.503 19.828 25.984 215 HD12 LEU 52 HD12 LEU 52 8.789 19.838 24.247 216 HD13 LEU 52 HD13 LEU 52 7.281 20.545 24.883 217 HD21 LEU 52 HD21 LEU 52 6.026 17.259 26.080 218 HD22 LEU 52 HD22 LEU 52 6.840 18.531 26.980 219 HD23 LEU 52 HD23 LEU 52 5.512 18.964 25.884 220 H PHE 53 H PHE 53 4.024 16.672 22.940 221 HA PHE 53 HA PHE 53 3.692 17.044 20.040 222 HB2 PHE 53 HB2 PHE 53 2.485 14.960 19.728 223 HB3 PHE 53 HB3 PHE 53 4.073 14.574 20.356 224 HD1 PHE 53 HD2 PHE 53 4.345 13.912 22.792 225 HD2 PHE 53 HD1 PHE 53 0.467 14.434 20.987 226 HE1 PHE 53 HE2 PHE 53 3.281 12.859 24.747 227 HE2 PHE 53 HE1 PHE 53 -0.586 13.319 22.925 228 HZ PHE 53 HZ PHE 53 0.801 12.619 24.867 229 H HIS 54 H HIS 54 1.073 16.710 19.747 230 HA HIS 54 HA HIS 54 -0.300 17.906 22.050 231 HB2 HIS 54 HB2 HIS 54 -1.555 19.413 20.736 232 HB3 HIS 54 HB3 HIS 54 0.163 19.690 20.499 233 HD1 HIS 54 HD1 HIS 54 -2.986 18.782 18.572 234 HD2 HIS 54 HD2 HIS 54 1.180 19.160 18.022 235 HE1 HIS 54 HE1 HIS 54 -2.596 18.874 16.055 236 HA PRO 55 HA PRO 55 -2.798 14.226 21.051 237 HB2 PRO 55 HB3 PRO 55 -4.351 14.209 23.294 238 HB3 PRO 55 HB2 PRO 55 -2.644 13.857 23.435 239 HG2 PRO 55 HG3 PRO 55 -4.022 16.555 23.730 240 HG3 PRO 55 HG2 PRO 55 -3.144 15.802 24.928 241 HD2 PRO 55 HD3 PRO 55 -1.940 17.591 23.280 242 HD3 PRO 55 HD2 PRO 55 -1.022 16.099 23.622 243 H CYS 56 H CYS 56 -3.881 17.409 21.940 244 HA CYS 56 HA CYS 56 -6.603 17.114 20.883 245 HB2 CYS 56 HB2 CYS 56 -7.136 18.755 22.578 246 HB3 CYS 56 HB3 CYS 56 -6.421 17.291 23.212 247 H LYS 57 H LYS 57 -6.950 20.003 21.099 248 HA LYS 57 HA LYS 57 -5.639 20.890 18.625 249 HB2 LYS 57 HB3 LYS 57 -8.316 20.214 19.249 250 HB3 LYS 57 HB2 LYS 57 -8.336 21.961 19.157 251 HG2 LYS 57 HG2 LYS 57 -7.209 19.976 17.160 252 HG3 LYS 57 HG3 LYS 57 -8.796 20.776 17.001 253 HD2 LYS 57 HD2 LYS 57 -7.499 22.986 17.117 254 HD3 LYS 57 HD3 LYS 57 -6.028 22.029 16.926 255 HE2 LYS 57 HE3 LYS 57 -6.984 21.046 14.807 256 HE3 LYS 57 HE2 LYS 57 -8.391 22.097 14.980 257 HZ1 LYS 57 HZ1 LYS 57 -6.761 23.069 13.471 258 HZ2 LYS 57 HZ2 LYS 57 -6.904 24.021 14.787 259 HZ3 LYS 57 HZ3 LYS 57 -5.598 23.050 14.614 260 H CYS 58 H CYS 58 -5.479 21.422 21.713 261 HA CYS 58 HA CYS 58 -5.945 23.853 22.398 262 HB2 CYS 58 HB3 CYS 58 -3.630 22.109 23.031 263 HB3 CYS 58 HB2 CYS 58 -3.573 23.774 23.666 264 H ARG 59 H ARG 59 -3.818 23.549 19.804 265 HA ARG 59 HA ARG 59 -2.565 24.977 18.548 266 HB2 ARG 59 HB2 ARG 59 -4.059 26.351 17.373 267 HB3 ARG 59 HB3 ARG 59 -4.915 24.929 17.955 268 HG2 ARG 59 HG2 ARG 59 -6.538 26.251 18.668 269 HG3 ARG 59 HG3 ARG 59 -5.465 26.816 19.947 270 HD2 ARG 59 HD2 ARG 59 -4.694 28.656 18.538 271 HD3 ARG 59 HD3 ARG 59 -5.718 28.092 17.202 272 HE ARG 59 HE ARG 59 -7.485 28.409 19.306 273 HH11 ARG 59 HH22 ARG 59 -5.248 30.613 17.755 274 HH12 ARG 59 HH21 ARG 59 -6.209 32.014 18.150 275 HH21 ARG 59 HH11 ARG 59 -8.662 30.236 19.779 276 HH22 ARG 59 HH12 ARG 59 -8.092 31.796 19.265 277 H GLY 60 H GLY 60 -1.741 25.541 21.115 278 HA2 GLY 60 HA2 GLY 60 -0.590 28.214 20.742 279 HA3 GLY 60 HA3 GLY 60 -1.652 27.996 22.153 280 H SER 61 H SER 61 0.601 28.810 22.968 281 HA SER 61 HA SER 61 2.760 26.957 23.337 282 HB2 SER 61 HB2 SER 61 3.489 28.600 25.052 283 HB3 SER 61 HB3 SER 61 3.040 29.366 23.521 284 HG SER 61 HG SER 61 2.133 30.465 25.323 285 H ILE 62 H ILE 62 -0.273 26.231 24.398 286 HA ILE 62 HA ILE 62 0.668 24.868 26.836 287 HB ILE 62 HB ILE 62 -1.768 25.202 27.606 288 HG12 ILE 62 HG12 ILE 62 -2.894 27.258 26.927 289 HG13 ILE 62 HG13 ILE 62 -1.697 27.592 25.696 290 HG21 ILE 62 HG21 ILE 62 -1.241 27.329 28.678 291 HG22 ILE 62 HG22 ILE 62 0.163 26.256 28.664 292 HG23 ILE 62 HG23 ILE 62 0.068 27.619 27.515 293 HD11 ILE 62 HD11 ILE 62 -2.463 25.689 24.372 294 HD12 ILE 62 HD12 ILE 62 -3.525 25.148 25.701 295 HD13 ILE 62 HD13 ILE 62 -3.862 26.663 24.838 296 H LYS 63 H LYS 63 0.182 24.372 23.771 297 HA LYS 63 HA LYS 63 -1.742 22.134 23.893 298 HB2 LYS 63 HB3 LYS 63 -1.893 22.397 21.607 299 HB3 LYS 63 HB2 LYS 63 -1.529 23.965 22.024 300 HG2 LYS 63 HG2 LYS 63 0.950 23.468 21.434 301 HG3 LYS 63 HG3 LYS 63 0.454 21.840 21.006 302 HD2 LYS 63 HD3 LYS 63 -1.094 22.766 19.276 303 HD3 LYS 63 HD2 LYS 63 -0.435 24.384 19.630 304 HE2 LYS 63 HE2 LYS 63 1.841 23.573 19.070 305 HE3 LYS 63 HE3 LYS 63 1.180 21.971 18.698 306 HZ1 LYS 63 HZ1 LYS 63 0.343 24.452 17.283 307 HZ2 LYS 63 HZ2 LYS 63 1.492 23.492 16.701 308 HZ3 LYS 63 HZ3 LYS 63 -0.031 22.916 16.858 309 H TYR 64 H TYR 64 1.602 22.601 24.099 310 HA TYR 64 HA TYR 64 2.389 19.920 23.248 311 HB2 TYR 64 HB2 TYR 64 3.865 22.330 24.308 312 HB3 TYR 64 HB3 TYR 64 4.650 20.756 24.240 313 HD1 TYR 64 HD2 TYR 64 4.297 19.405 21.980 314 HD2 TYR 64 HD1 TYR 64 4.039 23.696 22.345 315 HE1 TYR 64 HE2 TYR 64 4.794 19.631 19.565 316 HE2 TYR 64 HE1 TYR 64 4.559 23.925 19.928 317 HH TYR 64 HH TYR 64 4.955 22.782 17.909 318 H MET 65 H MET 65 2.971 18.210 24.496 319 HA MET 65 HA MET 65 2.819 18.288 27.449 320 HB2 MET 65 HB3 MET 65 0.990 16.616 25.653 321 HB3 MET 65 HB2 MET 65 1.099 16.471 27.407 322 HG2 MET 65 HG2 MET 65 0.138 18.679 27.701 323 HG3 MET 65 HG3 MET 65 0.168 18.968 25.956 324 HE1 MET 65 HE1 MET 65 -1.282 16.269 28.492 325 HE2 MET 65 HE2 MET 65 -1.927 17.885 28.875 326 HE3 MET 65 HE3 MET 65 -3.008 16.631 28.239 327 H HIS 66 H HIS 66 3.970 16.563 28.379 328 HA HIS 66 HA HIS 66 5.630 14.837 26.639 329 HB2 HIS 66 HB2 HIS 66 5.211 14.690 29.638 330 HB3 HIS 66 HB3 HIS 66 6.356 13.858 28.662 331 HD2 HIS 66 HD2 HIS 66 8.161 15.720 27.259 332 HE1 HIS 66 HE1 HIS 66 8.103 18.414 30.525 333 HE2 HIS 66 HE2 HIS 66 9.407 17.691 28.451 334 H GLU 67 H GLU 67 5.501 12.441 26.708 335 HA GLU 67 HA GLU 67 2.830 11.415 26.405 336 HB2 GLU 67 HB2 GLU 67 4.924 10.481 25.369 337 HB3 GLU 67 HB3 GLU 67 5.375 9.838 26.955 338 HG2 GLU 67 HG3 GLU 67 3.263 8.506 26.991 339 HG3 GLU 67 HG2 GLU 67 2.846 9.145 25.399 340 H SER 68 H SER 68 5.154 11.099 29.112 341 HA SER 68 HA SER 68 3.421 9.599 30.851 342 HB2 SER 68 HB2 SER 68 5.738 11.482 31.523 343 HB3 SER 68 HB3 SER 68 5.001 10.298 32.626 344 HG SER 68 HG SER 68 6.886 9.464 31.622 345 H CYS 69 H CYS 69 4.054 13.193 30.719 346 HA CYS 69 HA CYS 69 2.236 13.843 32.845 347 HB2 CYS 69 HB2 CYS 69 3.174 15.421 30.388 348 HB3 CYS 69 HB3 CYS 69 2.320 16.111 31.767 349 H LEU 70 H LEU 70 1.566 13.426 29.250 350 HA LEU 70 HA LEU 70 -1.166 14.254 29.527 351 HB2 LEU 70 HB2 LEU 70 -0.232 13.963 27.289 352 HB3 LEU 70 HB3 LEU 70 0.153 12.268 27.619 353 HG LEU 70 HG LEU 70 -2.303 11.782 27.753 354 HD11 LEU 70 HD11 LEU 70 -2.572 14.685 26.916 355 HD12 LEU 70 HD12 LEU 70 -3.895 13.507 27.051 356 HD13 LEU 70 HD13 LEU 70 -3.070 14.024 28.505 357 HD21 LEU 70 HD21 LEU 70 -2.767 12.086 25.362 358 HD22 LEU 70 HD22 LEU 70 -1.470 13.302 25.259 359 HD23 LEU 70 HD23 LEU 70 -1.090 11.590 25.608 360 H LEU 71 H LEU 71 0.372 11.032 29.769 361 HA LEU 71 HA LEU 71 -1.957 9.578 30.364 362 HB2 LEU 71 HB2 LEU 71 1.014 9.187 30.768 363 HB3 LEU 71 HB3 LEU 71 -0.050 8.015 31.480 364 HG LEU 71 HG LEU 71 -0.122 8.757 28.517 365 HD11 LEU 71 HD11 LEU 71 2.058 7.771 29.132 366 HD12 LEU 71 HD12 LEU 71 1.231 6.394 29.894 367 HD13 LEU 71 HD13 LEU 71 1.106 6.658 28.138 368 HD21 LEU 71 HD21 LEU 71 -1.268 6.363 30.028 369 HD22 LEU 71 HD22 LEU 71 -2.219 7.692 29.338 370 HD23 LEU 71 HD23 LEU 71 -1.324 6.612 28.269 371 H GLU 72 H GLU 72 0.042 11.484 32.493 372 HA GLU 72 HA GLU 72 -1.072 10.610 35.066 373 HB2 GLU 72 HB3 GLU 72 0.635 12.801 34.001 374 HB3 GLU 72 HB2 GLU 72 0.312 12.826 35.635 375 HG2 GLU 72 HG2 GLU 72 1.649 10.394 34.377 376 HG3 GLU 72 HG3 GLU 72 2.541 11.772 35.017 377 H TRP 73 H TRP 73 -1.472 13.340 32.772 378 HA TRP 73 HA TRP 73 -3.101 14.976 34.509 379 HB2 TRP 73 HB2 TRP 73 -1.758 15.826 32.682 380 HB3 TRP 73 HB3 TRP 73 -2.717 14.949 31.495 381 HD1 TRP 73 HD1 TRP 73 -2.986 17.852 34.010 382 HE1 TRP 73 HE1 TRP 73 -4.650 19.589 33.116 383 HE3 TRP 73 HE3 TRP 73 -4.726 15.272 29.946 384 HZ2 TRP 73 HZ2 TRP 73 -6.490 19.837 30.900 385 HZ3 TRP 73 HZ3 TRP 73 -6.442 16.277 28.463 386 HH2 TRP 73 HH2 TRP 73 -7.324 18.550 28.930 387 H VAL 74 H VAL 74 -3.915 12.837 31.679 388 HA VAL 74 HA VAL 74 -6.757 13.008 32.105 389 HB VAL 74 HB VAL 74 -6.976 11.021 30.746 390 HG11 VAL 74 HG11 VAL 74 -4.732 12.805 29.721 391 HG12 VAL 74 HG12 VAL 74 -5.685 11.713 28.737 392 HG13 VAL 74 HG13 VAL 74 -6.477 13.077 29.549 393 HG21 VAL 74 HG21 VAL 74 -4.970 9.766 29.906 394 HG22 VAL 74 HG22 VAL 74 -3.992 10.588 31.132 395 HG23 VAL 74 HG23 VAL 74 -5.311 9.510 31.612 396 H ALA 75 H ALA 75 -4.244 11.089 33.666 397 HA ALA 75 HA ALA 75 -6.051 9.366 35.165 398 HB1 ALA 75 HB1 ALA 75 -4.051 8.930 36.587 399 HB2 ALA 75 HB2 ALA 75 -3.754 8.676 34.862 400 HB3 ALA 75 HB3 ALA 75 -3.141 10.136 35.660 401 H SER 76 H SER 76 -4.451 12.553 35.891 402 HA SER 76 HA SER 76 -5.556 12.839 38.530 403 HB2 SER 76 HB2 SER 76 -3.684 14.172 37.515 404 HB3 SER 76 HB3 SER 76 -4.883 15.035 36.533 405 HG SER 76 HG SER 76 -4.338 16.117 38.517 406 H LYS 77 H LYS 77 -6.908 13.414 35.320 407 HA LYS 77 HA LYS 77 -9.350 14.743 36.131 408 HB2 LYS 77 HB3 LYS 77 -8.275 13.493 33.553 409 HB3 LYS 77 HB2 LYS 77 -9.707 14.457 33.647 410 HG2 LYS 77 HG2 LYS 77 -7.072 15.598 34.534 411 HG3 LYS 77 HG3 LYS 77 -7.514 15.557 32.818 412 HD2 LYS 77 HD2 LYS 77 -9.510 16.854 33.238 413 HD3 LYS 77 HD3 LYS 77 -9.213 16.820 34.996 414 HE2 LYS 77 HE2 LYS 77 -6.973 17.957 34.507 415 HE3 LYS 77 HE3 LYS 77 -7.541 18.201 32.852 416 HZ1 LYS 77 HZ1 LYS 77 -7.979 20.137 34.293 417 HZ2 LYS 77 HZ2 LYS 77 -9.395 19.539 33.753 418 HZ3 LYS 77 HZ3 LYS 77 -8.908 19.241 35.285 419 H ASN 78 H ASN 78 -8.549 11.734 36.792 420 HA ASN 78 HA ASN 78 -9.665 9.940 37.459 421 HB2 ASN 78 HB2 ASN 78 -11.495 10.427 38.520 422 HB3 ASN 78 HB3 ASN 78 -11.490 12.003 37.807 423 HD21 ASN 78 HD22 ASN 78 -12.616 11.999 35.487 424 HD22 ASN 78 HD21 ASN 78 -14.175 11.161 35.486 425 H ILE 79 H ILE 79 -8.942 10.258 34.560 426 HA ILE 79 HA ILE 79 -10.759 8.207 33.379 427 HB ILE 79 HB ILE 79 -8.896 9.849 31.701 428 HG12 ILE 79 HG12 ILE 79 -11.464 10.940 32.945 429 HG13 ILE 79 HG13 ILE 79 -9.843 11.610 33.026 430 HG21 ILE 79 HG21 ILE 79 -10.241 7.977 30.754 431 HG22 ILE 79 HG22 ILE 79 -11.731 8.791 31.288 432 HG23 ILE 79 HG23 ILE 79 -10.694 9.524 30.050 433 HD11 ILE 79 HD11 ILE 79 -9.850 12.066 30.594 434 HD12 ILE 79 HD12 ILE 79 -11.572 11.588 30.550 435 HD13 ILE 79 HD13 ILE 79 -11.053 12.971 31.530 436 H ASP 80 H ASP 80 -9.967 6.356 32.475 437 HA ASP 80 HA ASP 80 -7.050 5.750 32.743 438 HB2 ASP 80 HB3 ASP 80 -8.308 4.863 34.636 439 HB3 ASP 80 HB2 ASP 80 -9.421 4.040 33.551 440 H ILE 81 H ILE 81 -6.261 5.433 30.826 441 HA ILE 81 HA ILE 81 -7.679 4.856 28.438 442 HB ILE 81 HB ILE 81 -5.577 4.662 27.364 443 HG12 ILE 81 HG12 ILE 81 -4.284 3.204 28.823 444 HG13 ILE 81 HG13 ILE 81 -3.408 4.638 28.340 445 HG21 ILE 81 HG21 ILE 81 -5.453 6.820 29.499 446 HG22 ILE 81 HG22 ILE 81 -4.544 6.781 27.974 447 HG23 ILE 81 HG23 ILE 81 -6.316 6.870 27.953 448 HD11 ILE 81 HD11 ILE 81 -2.895 4.120 30.635 449 HD12 ILE 81 HD12 ILE 81 -3.795 5.643 30.596 450 HD13 ILE 81 HD13 ILE 81 -4.601 4.129 31.089 451 H SER 82 H SER 82 -6.562 2.674 30.890 452 HA SER 82 HA SER 82 -6.300 0.344 29.182 453 HB2 SER 82 HB2 SER 82 -5.179 0.773 31.423 454 HB3 SER 82 HB3 SER 82 -6.743 0.445 32.188 455 HG SER 82 HG SER 82 -5.360 -1.414 32.060 456 H LYS 83 H LYS 83 -9.056 2.002 30.486 457 HA LYS 83 HA LYS 83 -10.748 -0.378 30.730 458 HB2 LYS 83 HB2 LYS 83 -11.457 2.581 30.826 459 HB3 LYS 83 HB3 LYS 83 -12.573 1.265 31.185 460 HG2 LYS 83 HG2 LYS 83 -10.043 1.923 32.737 461 HG3 LYS 83 HG3 LYS 83 -11.707 2.274 33.218 462 HD2 LYS 83 HD2 LYS 83 -12.182 -0.179 33.295 463 HD3 LYS 83 HD3 LYS 83 -10.470 -0.497 32.918 464 HE2 LYS 83 HE3 LYS 83 -9.786 0.774 34.933 465 HE3 LYS 83 HE2 LYS 83 -11.483 1.076 35.325 466 HZ1 LYS 83 HZ1 LYS 83 -10.217 -1.612 35.188 467 HZ2 LYS 83 HZ2 LYS 83 -10.615 -0.825 36.560 468 HZ3 LYS 83 HZ3 LYS 83 -11.788 -1.336 35.549 469 HA PRO 84 HA PRO 84 -12.235 -0.294 26.541 470 HB2 PRO 84 HB3 PRO 84 -14.026 -2.325 26.587 471 HB3 PRO 84 HB2 PRO 84 -12.297 -2.562 26.992 472 HG2 PRO 84 HG3 PRO 84 -14.601 -2.107 28.936 473 HG3 PRO 84 HG2 PRO 84 -13.413 -3.451 28.953 474 HD2 PRO 84 HD3 PRO 84 -13.105 -1.115 30.417 475 HD3 PRO 84 HD2 PRO 84 -11.730 -2.074 29.804 476 H GLY 85 H GLY 85 -13.523 1.415 28.636 477 HA2 GLY 85 HA2 GLY 85 -15.944 2.273 27.100 478 HA3 GLY 85 HA3 GLY 85 -15.965 2.198 28.871 479 H ALA 86 H ALA 86 -12.926 3.059 27.478 480 HA ALA 86 HA ALA 86 -12.824 5.603 28.754 481 HB1 ALA 86 HB1 ALA 86 -11.106 4.472 26.505 482 HB2 ALA 86 HB2 ALA 86 -10.690 5.855 27.542 483 HB3 ALA 86 HB3 ALA 86 -10.845 4.241 28.250 484 H ASP 87 H ASP 87 -12.837 7.696 28.003 485 HA ASP 87 HA ASP 87 -13.685 8.383 25.257 486 HB2 ASP 87 HB2 ASP 87 -15.772 7.910 26.586 487 HB3 ASP 87 HB3 ASP 87 -15.308 9.182 27.714 488 H VAL 88 H VAL 88 -11.262 8.693 26.494 489 HA VAL 88 HA VAL 88 -10.695 10.966 27.969 490 HB VAL 88 HB VAL 88 -8.724 10.044 25.872 491 HG11 VAL 88 HG11 VAL 88 -8.173 11.865 27.521 492 HG12 VAL 88 HG12 VAL 88 -8.482 10.715 28.838 493 HG13 VAL 88 HG13 VAL 88 -7.163 10.422 27.687 494 HG21 VAL 88 HG21 VAL 88 -8.010 8.228 27.416 495 HG22 VAL 88 HG22 VAL 88 -9.504 8.438 28.341 496 HG23 VAL 88 HG23 VAL 88 -9.551 7.902 26.641 497 H LYS 89 H LYS 89 -11.061 13.069 27.605 498 HA LYS 89 HA LYS 89 -10.380 14.365 25.049 499 HB2 LYS 89 HB2 LYS 89 -12.546 13.620 24.691 500 HB3 LYS 89 HB3 LYS 89 -13.086 13.976 26.350 501 HG2 LYS 89 HG2 LYS 89 -13.118 16.366 25.815 502 HG3 LYS 89 HG3 LYS 89 -12.543 15.988 24.170 503 HD2 LYS 89 HD2 LYS 89 -14.511 14.224 24.156 504 HD3 LYS 89 HD3 LYS 89 -15.182 15.157 25.480 505 HE2 LYS 89 HE2 LYS 89 -14.537 16.240 22.700 506 HE3 LYS 89 HE3 LYS 89 -16.100 15.561 23.162 507 HZ1 LYS 89 HZ1 LYS 89 -14.841 17.987 24.260 508 HZ2 LYS 89 HZ2 LYS 89 -16.239 17.907 23.423 509 HZ3 LYS 89 HZ3 LYS 89 -16.184 17.306 24.944 510 H CYS 90 H CYS 90 -9.958 16.505 25.166 511 HA CYS 90 HA CYS 90 -8.673 17.350 27.511 512 HB2 CYS 90 HB2 CYS 90 -8.007 17.761 25.200 513 HB3 CYS 90 HB3 CYS 90 -9.340 18.898 24.984 514 H ASP 91 H ASP 91 -8.846 19.621 28.257 515 HA ASP 91 HA ASP 91 -11.612 20.370 29.089 516 HB2 ASP 91 HB2 ASP 91 -10.009 19.029 30.719 517 HB3 ASP 91 HB3 ASP 91 -9.159 20.537 30.889 518 H ILE 92 H ILE 92 -8.949 21.350 27.470 519 HA ILE 92 HA ILE 92 -9.144 24.182 28.355 520 HB ILE 92 HB ILE 92 -7.094 22.804 26.612 521 HG12 ILE 92 HG12 ILE 92 -7.121 23.471 29.549 522 HG13 ILE 92 HG13 ILE 92 -6.736 21.949 28.720 523 HG21 ILE 92 HG21 ILE 92 -7.188 25.687 27.570 524 HG22 ILE 92 HG22 ILE 92 -5.812 24.930 26.731 525 HG23 ILE 92 HG23 ILE 92 -7.330 25.093 25.887 526 HD11 ILE 92 HD11 ILE 92 -4.994 24.436 28.933 527 HD12 ILE 92 HD12 ILE 92 -4.698 22.827 29.615 528 HD13 ILE 92 HD13 ILE 92 -4.629 23.072 27.856 529 H CYS 93 H CYS 93 -8.562 22.372 25.309 530 HA CYS 93 HA CYS 93 -10.151 24.207 23.693 531 HB2 CYS 93 HB3 CYS 93 -8.871 23.256 21.960 532 HB3 CYS 93 HB2 CYS 93 -7.774 23.452 23.278 533 H HIS 94 H HIS 94 -10.606 21.409 25.503 534 HA HIS 94 HA HIS 94 -11.968 19.729 25.666 535 HB2 HIS 94 HB3 HIS 94 -14.303 20.051 25.421 536 HB3 HIS 94 HB2 HIS 94 -13.529 21.472 26.077 537 HD1 HIS 94 HD1 HIS 94 -14.494 23.644 25.090 538 HD2 HIS 94 HD2 HIS 94 -14.717 20.348 22.482 539 HE1 HIS 94 HE1 HIS 94 -15.739 24.452 23.018 540 H TYR 95 H TYR 95 -10.350 19.741 23.066 541 HA TYR 95 HA TYR 95 -11.998 18.021 21.362 542 HB2 TYR 95 HB2 TYR 95 -9.114 18.941 21.220 543 HB3 TYR 95 HB3 TYR 95 -9.683 17.622 20.230 544 HD1 TYR 95 HD2 TYR 95 -10.480 21.116 21.115 545 HD2 TYR 95 HD1 TYR 95 -10.536 18.040 18.167 546 HE1 TYR 95 HE2 TYR 95 -11.487 22.745 19.533 547 HE2 TYR 95 HE1 TYR 95 -11.580 19.637 16.510 548 HH TYR 95 HH TYR 95 -12.339 21.772 16.153 549 HA PRO 96 HA PRO 96 -11.092 14.015 23.164 550 HB2 PRO 96 HB3 PRO 96 -10.835 13.127 20.310 551 HB3 PRO 96 HB2 PRO 96 -11.746 12.381 21.671 552 HG2 PRO 96 HG3 PRO 96 -13.068 13.826 19.814 553 HG3 PRO 96 HG2 PRO 96 -13.453 14.021 21.557 554 HD2 PRO 96 HD3 PRO 96 -11.683 15.746 19.846 555 HD3 PRO 96 HD2 PRO 96 -12.980 16.246 20.966 556 H ILE 97 H ILE 97 -9.306 12.997 23.827 557 HA ILE 97 HA ILE 97 -6.714 14.117 23.040 558 HB ILE 97 HB ILE 97 -7.752 12.358 25.244 559 HG12 ILE 97 HG12 ILE 97 -8.166 14.833 25.278 560 HG13 ILE 97 HG13 ILE 97 -7.355 14.236 26.696 561 HG21 ILE 97 HG21 ILE 97 -4.832 13.030 24.997 562 HG22 ILE 97 HG22 ILE 97 -5.651 12.248 26.358 563 HG23 ILE 97 HG23 ILE 97 -5.563 11.431 24.805 564 HD11 ILE 97 HD11 ILE 97 -5.995 15.658 24.391 565 HD12 ILE 97 HD12 ILE 97 -6.459 16.399 25.922 566 HD13 ILE 97 HD13 ILE 97 -5.219 15.146 25.908 567 H GLN 98 H GLN 98 -5.403 13.296 21.673 568 HA GLN 98 HA GLN 98 -5.677 10.449 20.757 569 HB2 GLN 98 HB2 GLN 98 -4.669 12.878 19.245 570 HB3 GLN 98 HB3 GLN 98 -4.832 11.253 18.597 571 HG2 GLN 98 HG2 GLN 98 -7.198 11.329 18.595 572 HG3 GLN 98 HG3 GLN 98 -7.271 12.690 19.710 573 HE21 GLN 98 HE22 GLN 98 -6.229 14.785 18.935 574 HE22 GLN 98 HE21 GLN 98 -6.521 15.190 17.237 575 H PHE 99 H PHE 99 -4.359 9.443 22.082 576 HA PHE 99 HA PHE 99 -1.654 10.120 22.716 577 HB2 PHE 99 HB2 PHE 99 -3.037 7.405 22.582 578 HB3 PHE 99 HB3 PHE 99 -1.512 7.760 23.379 579 HD1 PHE 99 HD1 PHE 99 -1.399 8.918 25.520 580 HD2 PHE 99 HD2 PHE 99 -5.184 8.159 23.589 581 HE1 PHE 99 HE1 PHE 99 -2.595 9.495 27.619 582 HE2 PHE 99 HE2 PHE 99 -6.369 8.778 25.673 583 HZ PHE 99 HZ PHE 99 -5.075 9.464 27.683 584 H LYS 100 H LYS 100 0.298 9.000 21.984 585 HA LYS 100 HA LYS 100 0.275 8.451 19.033 586 HB2 LYS 100 HB2 LYS 100 2.585 9.496 20.695 587 HB3 LYS 100 HB3 LYS 100 2.482 9.407 18.939 588 HG2 LYS 100 HG2 LYS 100 0.905 11.250 20.776 589 HG3 LYS 100 HG3 LYS 100 2.229 11.698 19.709 590 HD2 LYS 100 HD2 LYS 100 0.871 11.224 17.722 591 HD3 LYS 100 HD3 LYS 100 -0.463 10.634 18.736 592 HE2 LYS 100 HE2 LYS 100 -0.588 12.844 19.860 593 HE3 LYS 100 HE3 LYS 100 0.680 13.455 18.780 594 HZ1 LYS 100 HZ1 LYS 100 -0.835 13.025 16.908 595 HZ2 LYS 100 HZ2 LYS 100 -1.992 12.476 17.931 596 HZ3 LYS 100 HZ3 LYS 100 -1.529 14.045 17.984 597 H THR 101 H THR 101 1.972 7.135 18.192 598 HA THR 101 HA THR 101 1.960 4.483 19.201 599 HB THR 101 HB THR 101 3.903 5.661 17.181 600 HG1 THR 101 HG1 THR 101 1.274 4.637 16.834 601 HG21 THR 101 HG21 THR 101 3.747 3.399 16.152 602 HG22 THR 101 HG22 THR 101 4.444 3.339 17.775 603 HG23 THR 101 HG23 THR 101 2.756 2.849 17.523 Start of MODEL 17 1 H1 VAL 19 H1 VAL 19 39.245 43.396 12.286 2 H2 VAL 19 H2 VAL 19 38.855 41.839 12.001 3 H3 VAL 19 H3 VAL 19 39.383 42.281 13.483 4 HA VAL 19 HA VAL 19 36.995 41.926 13.496 5 HB VAL 19 HB VAL 19 36.241 44.090 14.405 6 HG11 VAL 19 HG11 VAL 19 38.989 43.298 15.454 7 HG12 VAL 19 HG12 VAL 19 37.690 44.120 16.332 8 HG13 VAL 19 HG13 VAL 19 37.463 42.447 15.805 9 HG21 VAL 19 HG21 VAL 19 37.744 45.975 14.687 10 HG22 VAL 19 HG22 VAL 19 39.024 45.174 13.765 11 HG23 VAL 19 HG23 VAL 19 37.515 45.676 12.963 12 H ALA 20 H ALA 20 34.870 42.585 12.807 13 HA ALA 20 HA ALA 20 34.643 44.171 10.323 14 HB1 ALA 20 HB1 ALA 20 33.766 41.253 10.550 15 HB2 ALA 20 HB2 ALA 20 33.432 42.338 9.183 16 HB3 ALA 20 HB3 ALA 20 35.101 41.867 9.548 17 H ASN 21 H ASN 21 32.518 44.855 9.870 18 HA ASN 21 HA ASN 21 30.736 44.999 12.242 19 HB2 ASN 21 HB3 ASN 21 31.723 47.064 11.304 20 HB3 ASN 21 HB2 ASN 21 31.002 46.711 9.731 21 HD21 ASN 21 HD22 ASN 21 30.072 47.220 13.187 22 HD22 ASN 21 HD21 ASN 21 28.568 48.031 12.777 23 H GLU 22 H GLU 22 28.486 45.065 11.986 24 HA GLU 22 HA GLU 22 27.165 43.776 9.660 25 HB2 GLU 22 HB2 GLU 22 27.048 42.697 12.513 26 HB3 GLU 22 HB3 GLU 22 25.844 42.321 11.274 27 HG2 GLU 22 HG2 GLU 22 27.602 41.396 9.813 28 HG3 GLU 22 HG3 GLU 22 28.813 41.683 11.073 29 H GLU 23 H GLU 23 24.964 44.312 9.495 30 HA GLU 23 HA GLU 23 23.458 45.834 11.398 31 HB2 GLU 23 HB2 GLU 23 24.626 47.386 9.031 32 HB3 GLU 23 HB3 GLU 23 23.194 47.885 9.917 33 HG2 GLU 23 HG2 GLU 23 24.631 47.967 12.015 34 HG3 GLU 23 HG3 GLU 23 26.032 47.849 10.933 35 H THR 24 H THR 24 23.991 45.017 8.028 36 HA THR 24 HA THR 24 21.545 45.717 6.939 37 HB THR 24 HB THR 24 22.232 44.220 4.996 38 HG1 THR 24 HG1 THR 24 23.389 42.639 6.055 39 HG21 THR 24 HG21 THR 24 24.401 46.045 6.115 40 HG22 THR 24 HG22 THR 24 24.198 45.535 4.425 41 HG23 THR 24 HG23 THR 24 22.980 46.574 5.187 42 H ASP 25 H ASP 25 21.813 42.923 8.863 43 HA ASP 25 HA ASP 25 20.006 41.179 7.627 44 HB2 ASP 25 HB2 ASP 25 20.587 41.660 10.578 45 HB3 ASP 25 HB3 ASP 25 19.763 40.245 9.930 46 H THR 26 H THR 26 17.828 40.445 8.549 47 HA THR 26 HA THR 26 16.009 42.721 9.130 48 HB THR 26 HB THR 26 15.768 41.991 6.866 49 HG1 THR 26 HG1 THR 26 13.610 41.616 6.923 50 HG21 THR 26 HG21 THR 26 16.566 39.686 6.894 51 HG22 THR 26 HG22 THR 26 15.202 39.180 7.911 52 HG23 THR 26 HG23 THR 26 14.923 39.756 6.257 53 H ALA 27 H ALA 27 14.004 40.187 9.427 54 HA ALA 27 HA ALA 27 14.891 39.208 12.057 55 HB1 ALA 27 HB1 ALA 27 12.304 40.777 11.630 56 HB2 ALA 27 HB2 ALA 27 12.788 39.952 13.127 57 HB3 ALA 27 HB3 ALA 27 13.722 41.340 12.545 58 H THR 28 H THR 28 13.432 37.571 12.885 59 HA THR 28 HA THR 28 11.749 36.072 10.913 60 HB THR 28 HB THR 28 13.968 34.769 12.549 61 HG1 THR 28 HG1 THR 28 13.867 35.419 9.790 62 HG21 THR 28 HG21 THR 28 12.224 33.152 12.045 63 HG22 THR 28 HG22 THR 28 12.163 33.677 10.344 64 HG23 THR 28 HG23 THR 28 13.598 32.846 10.985 65 H PHE 29 H PHE 29 10.148 34.670 11.886 66 HA PHE 29 HA PHE 29 9.954 34.446 14.790 67 HB2 PHE 29 HB2 PHE 29 9.019 36.702 14.317 68 HB3 PHE 29 HB3 PHE 29 7.935 36.012 13.121 69 HD1 PHE 29 HD2 PHE 29 8.821 35.859 16.772 70 HD2 PHE 29 HD1 PHE 29 5.766 35.289 13.778 71 HE1 PHE 29 HE2 PHE 29 7.131 35.498 18.560 72 HE2 PHE 29 HE1 PHE 29 4.081 34.938 15.567 73 HZ PHE 29 HZ PHE 29 4.760 35.037 17.958 74 H ASN 30 H ASN 30 8.321 32.965 15.402 75 HA ASN 30 HA ASN 30 6.928 31.340 13.319 76 HB2 ASN 30 HB2 ASN 30 8.873 30.244 15.407 77 HB3 ASN 30 HB3 ASN 30 7.728 29.248 14.521 78 HD21 ASN 30 HD22 ASN 30 10.887 30.537 14.427 79 HD22 ASN 30 HD21 ASN 30 11.204 30.141 12.744 80 H ASP 31 H ASP 31 5.136 30.121 14.102 81 HA ASP 31 HA ASP 31 4.287 30.490 16.902 82 HB2 ASP 31 HB2 ASP 31 2.198 31.491 16.377 83 HB3 ASP 31 HB3 ASP 31 3.458 32.488 15.672 84 H ASP 32 H ASP 32 2.823 29.169 17.585 85 HA ASP 32 HA ASP 32 1.629 27.273 18.007 86 HB2 ASP 32 HB3 ASP 32 0.249 28.055 16.089 87 HB3 ASP 32 HB2 ASP 32 1.201 27.022 15.027 88 H ALA 33 H ALA 33 4.050 27.007 15.840 89 HA ALA 33 HA ALA 33 4.993 24.333 16.878 90 HB1 ALA 33 HB1 ALA 33 6.039 24.005 14.683 91 HB2 ALA 33 HB2 ALA 33 4.271 24.240 14.548 92 HB3 ALA 33 HB3 ALA 33 5.393 25.566 14.136 93 HA PRO 34 HA PRO 34 8.243 27.304 18.249 94 HB2 PRO 34 HB3 PRO 34 8.519 25.320 20.427 95 HB3 PRO 34 HB2 PRO 34 8.328 27.080 20.557 96 HG2 PRO 34 HG3 PRO 34 6.350 25.229 21.217 97 HG3 PRO 34 HG2 PRO 34 5.991 26.837 20.618 98 HD2 PRO 34 HD3 PRO 34 6.004 24.241 19.121 99 HD3 PRO 34 HD2 PRO 34 4.916 25.652 18.943 100 H SER 35 H SER 35 10.408 27.017 18.244 101 HA SER 35 HA SER 35 11.572 24.350 17.571 102 HB2 SER 35 HB3 SER 35 12.866 27.109 17.372 103 HB3 SER 35 HB2 SER 35 13.583 25.579 16.829 104 HG SER 35 HG SER 35 12.607 26.736 15.104 105 H GLY 36 H GLY 36 10.706 25.414 20.219 106 HA2 GLY 36 HA2 GLY 36 12.663 24.173 21.934 107 HA3 GLY 36 HA3 GLY 36 12.656 25.941 22.111 108 H ALA 37 H ALA 37 10.155 23.465 21.572 109 HA ALA 37 HA ALA 37 8.139 24.836 23.089 110 HB1 ALA 37 HB1 ALA 37 6.759 22.863 22.576 111 HB2 ALA 37 HB2 ALA 37 7.620 23.422 21.147 112 HB3 ALA 37 HB3 ALA 37 8.204 21.981 22.022 113 H THR 38 H THR 38 6.831 23.490 24.721 114 HA THR 38 HA THR 38 8.361 21.963 26.624 115 HB THR 38 HB THR 38 7.871 23.375 28.594 116 HG1 THR 38 HG1 THR 38 7.538 25.535 26.841 117 HG21 THR 38 HG21 THR 38 9.713 24.852 28.431 118 HG22 THR 38 HG22 THR 38 10.112 23.428 27.452 119 HG23 THR 38 HG23 THR 38 9.616 24.921 26.652 120 H CYS 39 H CYS 39 7.043 21.382 28.513 121 HA CYS 39 HA CYS 39 4.473 20.322 27.629 122 HB2 CYS 39 HB3 CYS 39 5.934 18.949 28.835 123 HB3 CYS 39 HB2 CYS 39 6.205 19.989 30.111 124 H ARG 40 H ARG 40 2.673 21.360 27.745 125 HA ARG 40 HA ARG 40 2.043 23.654 29.271 126 HB2 ARG 40 HB2 ARG 40 -0.061 23.597 28.377 127 HB3 ARG 40 HB3 ARG 40 0.913 22.774 27.171 128 HG2 ARG 40 HG2 ARG 40 -0.627 21.173 27.156 129 HG3 ARG 40 HG3 ARG 40 -0.023 20.635 28.696 130 HD2 ARG 40 HD2 ARG 40 -1.886 21.366 29.815 131 HD3 ARG 40 HD3 ARG 40 -1.907 22.905 28.995 132 HE ARG 40 HE ARG 40 -2.943 21.813 27.036 133 HH11 ARG 40 HH22 ARG 40 -3.563 20.460 30.220 134 HH12 ARG 40 HH21 ARG 40 -5.021 19.670 29.686 135 HH21 ARG 40 HH12 ARG 40 -4.844 20.822 26.463 136 HH22 ARG 40 HH11 ARG 40 -5.788 19.984 27.645 137 H ILE 41 H ILE 41 2.370 20.580 30.438 138 HA ILE 41 HA ILE 41 0.572 20.998 32.748 139 HB ILE 41 HB ILE 41 2.045 18.563 31.758 140 HG12 ILE 41 HG12 ILE 41 -0.930 18.867 32.127 141 HG13 ILE 41 HG13 ILE 41 -0.158 19.373 30.631 142 HG21 ILE 41 HG21 ILE 41 2.073 18.439 34.205 143 HG22 ILE 41 HG22 ILE 41 0.344 18.853 34.274 144 HG23 ILE 41 HG23 ILE 41 0.885 17.301 33.612 145 HD11 ILE 41 HD11 ILE 41 0.140 16.564 31.731 146 HD12 ILE 41 HD12 ILE 41 -1.060 17.042 30.526 147 HD13 ILE 41 HD13 ILE 41 0.676 17.165 30.164 148 H CYS 42 H CYS 42 4.134 20.430 31.990 149 HA CYS 42 HA CYS 42 4.637 21.534 34.725 150 HB2 CYS 42 HB2 CYS 42 6.166 19.844 35.228 151 HB3 CYS 42 HB3 CYS 42 4.699 19.036 34.646 152 H ARG 43 H ARG 43 5.055 22.557 31.776 153 HA ARG 43 HA ARG 43 6.459 23.722 30.565 154 HB2 ARG 43 HB2 ARG 43 7.025 24.768 33.332 155 HB3 ARG 43 HB3 ARG 43 7.604 25.582 31.886 156 HG2 ARG 43 HG2 ARG 43 4.644 24.924 32.124 157 HG3 ARG 43 HG3 ARG 43 5.340 26.276 32.997 158 HD2 ARG 43 HD3 ARG 43 4.482 27.199 31.034 159 HD3 ARG 43 HD2 ARG 43 6.223 27.212 30.856 160 HE ARG 43 HE ARG 43 6.087 25.472 29.198 161 HH11 ARG 43 HH22 ARG 43 2.894 26.813 29.923 162 HH12 ARG 43 HH21 ARG 43 2.352 26.420 28.301 163 HH21 ARG 43 HH12 ARG 43 5.219 24.944 27.304 164 HH22 ARG 43 HH11 ARG 43 3.553 25.385 26.932 165 H GLY 44 H GLY 44 7.570 21.181 31.488 166 HA2 GLY 44 HA3 GLY 44 10.525 21.607 31.345 167 HA3 GLY 44 HA2 GLY 44 9.729 20.040 31.304 168 H GLU 45 H GLU 45 11.849 21.194 29.594 169 HA GLU 45 HA GLU 45 10.766 21.613 26.862 170 HB2 GLU 45 HB2 GLU 45 13.572 20.927 27.879 171 HB3 GLU 45 HB3 GLU 45 13.159 21.492 26.256 172 HG2 GLU 45 HG2 GLU 45 12.407 23.654 27.170 173 HG3 GLU 45 HG3 GLU 45 12.773 23.111 28.812 174 H ALA 46 H ALA 46 11.732 20.239 25.182 175 HA ALA 46 HA ALA 46 10.687 17.522 25.382 176 HB1 ALA 46 HB1 ALA 46 10.764 18.620 23.185 177 HB2 ALA 46 HB2 ALA 46 12.533 18.784 23.300 178 HB3 ALA 46 HB3 ALA 46 11.799 17.180 23.157 179 H THR 47 H THR 47 11.856 15.571 25.150 180 HA THR 47 HA THR 47 14.756 15.639 26.010 181 HB THR 47 HB THR 47 14.607 13.680 27.357 182 HG1 THR 47 HG1 THR 47 11.811 13.819 27.129 183 HG21 THR 47 HG21 THR 47 14.249 15.808 28.502 184 HG22 THR 47 HG22 THR 47 12.485 15.634 28.286 185 HG23 THR 47 HG23 THR 47 13.390 14.452 29.271 186 H GLU 48 H GLU 48 15.929 13.729 25.631 187 HA GLU 48 HA GLU 48 15.911 13.020 22.962 188 HB2 GLU 48 HB2 GLU 48 17.793 13.109 24.682 189 HB3 GLU 48 HB3 GLU 48 17.192 11.572 25.318 190 HG2 GLU 48 HG2 GLU 48 17.804 10.435 23.242 191 HG3 GLU 48 HG3 GLU 48 18.154 11.978 22.451 192 H ASP 49 H ASP 49 13.993 11.577 25.372 193 HA ASP 49 HA ASP 49 13.383 9.247 23.592 194 HB2 ASP 49 HB3 ASP 49 14.810 8.551 25.517 195 HB3 ASP 49 HB2 ASP 49 13.602 9.202 26.625 196 H ASN 50 H ASN 50 12.264 11.790 25.780 197 HA ASN 50 HA ASN 50 9.462 11.199 24.956 198 HB2 ASN 50 HB2 ASN 50 10.097 10.301 27.261 199 HB3 ASN 50 HB3 ASN 50 10.607 11.949 27.682 200 HD21 ASN 50 HD22 ASN 50 9.251 12.291 29.311 201 HD22 ASN 50 HD21 ASN 50 7.548 12.266 29.073 202 HA PRO 51 HA PRO 51 10.441 15.591 24.058 203 HB2 PRO 51 HB3 PRO 51 9.860 15.573 21.412 204 HB3 PRO 51 HB2 PRO 51 11.363 14.806 21.993 205 HG2 PRO 51 HG3 PRO 51 8.658 13.423 21.611 206 HG3 PRO 51 HG2 PRO 51 10.200 13.050 20.820 207 HD2 PRO 51 HD3 PRO 51 9.573 11.715 23.022 208 HD3 PRO 51 HD2 PRO 51 11.224 12.317 22.836 209 H LEU 52 H LEU 52 8.654 16.664 22.329 210 HA LEU 52 HA LEU 52 6.052 16.375 23.782 211 HB2 LEU 52 HB3 LEU 52 7.337 18.844 22.615 212 HB3 LEU 52 HB2 LEU 52 5.847 18.806 23.535 213 HG LEU 52 HG LEU 52 8.368 17.768 24.866 214 HD11 LEU 52 HD11 LEU 52 8.861 19.969 25.686 215 HD12 LEU 52 HD12 LEU 52 9.053 19.877 23.938 216 HD13 LEU 52 HD13 LEU 52 7.594 20.661 24.618 217 HD21 LEU 52 HD21 LEU 52 6.399 17.445 26.097 218 HD22 LEU 52 HD22 LEU 52 7.260 18.777 26.856 219 HD23 LEU 52 HD23 LEU 52 5.843 19.129 25.847 220 H PHE 53 H PHE 53 4.203 16.420 22.812 221 HA PHE 53 HA PHE 53 3.919 16.783 19.871 222 HB2 PHE 53 HB2 PHE 53 2.876 14.630 19.639 223 HB3 PHE 53 HB3 PHE 53 4.416 14.356 20.431 224 HD1 PHE 53 HD2 PHE 53 4.422 14.118 23.032 225 HD2 PHE 53 HD1 PHE 53 0.829 13.887 20.646 226 HE1 PHE 53 HE2 PHE 53 3.178 13.257 24.974 227 HE2 PHE 53 HE1 PHE 53 -0.386 12.942 22.590 228 HZ PHE 53 HZ PHE 53 0.776 12.677 24.779 229 H HIS 54 H HIS 54 1.545 16.545 19.353 230 HA HIS 54 HA HIS 54 -0.137 17.955 21.342 231 HB2 HIS 54 HB2 HIS 54 -1.306 18.976 19.472 232 HB3 HIS 54 HB3 HIS 54 0.399 19.392 19.597 233 HD1 HIS 54 HD1 HIS 54 2.023 18.584 17.590 234 HD2 HIS 54 HD2 HIS 54 -2.086 17.754 17.204 235 HE1 HIS 54 HE1 HIS 54 1.650 17.944 15.154 236 HA PRO 55 HA PRO 55 -2.591 14.066 20.932 237 HB2 PRO 55 HB3 PRO 55 -4.094 14.411 23.235 238 HB3 PRO 55 HB2 PRO 55 -2.461 13.790 23.316 239 HG2 PRO 55 HG3 PRO 55 -3.396 16.667 23.651 240 HG3 PRO 55 HG2 PRO 55 -2.432 15.756 24.725 241 HD2 PRO 55 HD3 PRO 55 -1.304 17.442 22.939 242 HD3 PRO 55 HD2 PRO 55 -0.511 15.863 23.204 243 H CYS 56 H CYS 56 -3.519 17.181 21.940 244 HA CYS 56 HA CYS 56 -6.274 17.100 20.940 245 HB2 CYS 56 HB3 CYS 56 -5.524 17.194 23.332 246 HB3 CYS 56 HB2 CYS 56 -5.128 18.916 22.993 247 H LYS 57 H LYS 57 -6.868 19.673 21.178 248 HA LYS 57 HA LYS 57 -5.624 21.071 18.881 249 HB2 LYS 57 HB2 LYS 57 -7.892 19.950 18.858 250 HB3 LYS 57 HB3 LYS 57 -8.363 21.008 20.182 251 HG2 LYS 57 HG3 LYS 57 -9.266 21.572 17.919 252 HG3 LYS 57 HG2 LYS 57 -8.534 22.810 18.917 253 HD2 LYS 57 HD3 LYS 57 -6.436 22.573 17.516 254 HD3 LYS 57 HD2 LYS 57 -7.247 21.316 16.564 255 HE2 LYS 57 HE2 LYS 57 -9.007 22.953 15.905 256 HE3 LYS 57 HE3 LYS 57 -8.195 24.207 16.847 257 HZ1 LYS 57 HZ1 LYS 57 -6.267 23.966 15.353 258 HZ2 LYS 57 HZ2 LYS 57 -7.034 22.812 14.487 259 HZ3 LYS 57 HZ3 LYS 57 -7.602 24.339 14.491 260 H CYS 58 H CYS 58 -5.696 21.400 22.156 261 HA CYS 58 HA CYS 58 -6.550 23.654 23.112 262 HB2 CYS 58 HB3 CYS 58 -3.678 22.987 23.708 263 HB3 CYS 58 HB2 CYS 58 -4.934 23.601 24.787 264 H ARG 59 H ARG 59 -3.574 23.708 21.347 265 HA ARG 59 HA ARG 59 -2.985 25.035 19.614 266 HB2 ARG 59 HB2 ARG 59 -5.035 26.645 20.073 267 HB3 ARG 59 HB3 ARG 59 -3.821 27.624 20.909 268 HG2 ARG 59 HG2 ARG 59 -3.897 28.435 18.667 269 HG3 ARG 59 HG3 ARG 59 -2.447 27.433 18.711 270 HD2 ARG 59 HD3 ARG 59 -4.131 25.516 17.909 271 HD3 ARG 59 HD2 ARG 59 -5.149 26.863 17.440 272 HE ARG 59 HE ARG 59 -2.530 26.032 16.293 273 HH11 ARG 59 HH22 ARG 59 -5.023 28.512 16.109 274 HH12 ARG 59 HH21 ARG 59 -4.475 29.024 14.535 275 HH21 ARG 59 HH12 ARG 59 -1.919 26.693 14.421 276 HH22 ARG 59 HH11 ARG 59 -2.725 28.009 13.569 277 H GLY 60 H GLY 60 -1.020 25.709 19.289 278 HA2 GLY 60 HA2 GLY 60 1.176 25.360 19.894 279 HA3 GLY 60 HA3 GLY 60 0.918 27.081 20.168 280 H SER 61 H SER 61 1.478 27.874 22.093 281 HA SER 61 HA SER 61 3.088 26.463 23.827 282 HB2 SER 61 HB3 SER 61 1.583 29.028 24.475 283 HB3 SER 61 HB2 SER 61 3.112 28.482 25.195 284 HG SER 61 HG SER 61 3.444 30.020 23.517 285 H ILE 62 H ILE 62 -0.323 25.848 24.006 286 HA ILE 62 HA ILE 62 0.170 24.814 26.682 287 HB ILE 62 HB ILE 62 -2.192 25.439 27.300 288 HG12 ILE 62 HG12 ILE 62 -2.938 27.660 26.237 289 HG13 ILE 62 HG13 ILE 62 -1.919 27.299 24.880 290 HG21 ILE 62 HG21 ILE 62 -0.233 27.736 26.983 291 HG22 ILE 62 HG22 ILE 62 -1.555 27.604 28.158 292 HG23 ILE 62 HG23 ILE 62 -0.187 26.490 28.257 293 HD11 ILE 62 HD11 ILE 62 -4.326 26.642 24.602 294 HD12 ILE 62 HD12 ILE 62 -3.210 25.280 24.399 295 HD13 ILE 62 HD13 ILE 62 -4.124 25.462 25.915 296 H LYS 63 H LYS 63 0.131 23.883 23.825 297 HA LYS 63 HA LYS 63 -1.946 21.729 24.054 298 HB2 LYS 63 HB3 LYS 63 -2.122 21.736 21.824 299 HB3 LYS 63 HB2 LYS 63 -1.587 23.343 21.986 300 HG2 LYS 63 HG2 LYS 63 0.747 22.607 21.395 301 HG3 LYS 63 HG3 LYS 63 0.144 20.965 21.190 302 HD2 LYS 63 HD2 LYS 63 -1.201 21.605 19.291 303 HD3 LYS 63 HD3 LYS 63 -0.953 23.326 19.623 304 HE2 LYS 63 HE2 LYS 63 1.532 22.969 19.308 305 HE3 LYS 63 HE3 LYS 63 1.182 21.330 18.748 306 HZ1 LYS 63 HZ1 LYS 63 1.402 22.959 16.940 307 HZ2 LYS 63 HZ2 LYS 63 -0.117 22.324 16.928 308 HZ3 LYS 63 HZ3 LYS 63 0.164 23.840 17.511 309 H TYR 64 H TYR 64 1.290 22.080 23.071 310 HA TYR 64 HA TYR 64 2.426 19.633 23.181 311 HB2 TYR 64 HB3 TYR 64 3.667 22.204 24.162 312 HB3 TYR 64 HB2 TYR 64 4.593 20.708 24.072 313 HD1 TYR 64 HD2 TYR 64 4.540 19.396 21.821 314 HD2 TYR 64 HD1 TYR 64 3.460 23.549 22.214 315 HE1 TYR 64 HE2 TYR 64 4.941 19.705 19.409 316 HE2 TYR 64 HE1 TYR 64 3.768 23.848 19.776 317 HH TYR 64 HH TYR 64 4.845 21.173 17.629 318 H MET 65 H MET 65 3.290 18.144 24.524 319 HA MET 65 HA MET 65 3.267 18.313 27.442 320 HB2 MET 65 HB2 MET 65 1.385 16.450 25.904 321 HB3 MET 65 HB3 MET 65 1.805 16.250 27.602 322 HG2 MET 65 HG2 MET 65 0.748 18.395 28.145 323 HG3 MET 65 HG3 MET 65 0.259 18.575 26.451 324 HE1 MET 65 HE1 MET 65 -3.069 17.650 28.361 325 HE2 MET 65 HE2 MET 65 -1.696 18.616 28.951 326 HE3 MET 65 HE3 MET 65 -2.275 18.823 27.277 327 H HIS 66 H HIS 66 4.427 16.607 28.401 328 HA HIS 66 HA HIS 66 6.067 14.836 26.681 329 HB2 HIS 66 HB2 HIS 66 5.646 14.696 29.688 330 HB3 HIS 66 HB3 HIS 66 6.908 14.006 28.738 331 HD2 HIS 66 HD2 HIS 66 8.545 16.043 27.396 332 HE1 HIS 66 HE1 HIS 66 8.096 18.748 30.615 333 HE2 HIS 66 HE2 HIS 66 9.563 18.110 28.613 334 H GLU 67 H GLU 67 5.732 12.462 26.570 335 HA GLU 67 HA GLU 67 2.995 11.583 26.431 336 HB2 GLU 67 HB2 GLU 67 5.163 10.487 25.435 337 HB3 GLU 67 HB3 GLU 67 5.234 9.647 27.007 338 HG2 GLU 67 HG2 GLU 67 2.933 8.796 26.641 339 HG3 GLU 67 HG3 GLU 67 2.874 9.619 25.082 340 H SER 68 H SER 68 5.351 11.292 29.061 341 HA SER 68 HA SER 68 3.802 9.752 30.882 342 HB2 SER 68 HB2 SER 68 5.320 11.011 32.548 343 HB3 SER 68 HB3 SER 68 6.069 9.922 31.357 344 HG SER 68 HG SER 68 7.089 12.043 31.602 345 H CYS 69 H CYS 69 4.150 13.316 30.546 346 HA CYS 69 HA CYS 69 2.405 13.917 32.726 347 HB2 CYS 69 HB2 CYS 69 3.330 15.457 30.236 348 HB3 CYS 69 HB3 CYS 69 2.335 16.207 31.493 349 H LEU 70 H LEU 70 1.679 13.438 29.208 350 HA LEU 70 HA LEU 70 -1.072 14.291 29.474 351 HB2 LEU 70 HB2 LEU 70 -0.131 13.987 27.233 352 HB3 LEU 70 HB3 LEU 70 0.250 12.296 27.584 353 HG LEU 70 HG LEU 70 -2.188 11.800 27.743 354 HD11 LEU 70 HD11 LEU 70 -2.951 14.064 28.483 355 HD12 LEU 70 HD12 LEU 70 -2.599 14.661 26.836 356 HD13 LEU 70 HD13 LEU 70 -3.837 13.431 27.133 357 HD21 LEU 70 HD21 LEU 70 -2.684 12.025 25.364 358 HD22 LEU 70 HD22 LEU 70 -1.388 13.242 25.209 359 HD23 LEU 70 HD23 LEU 70 -1.005 11.549 25.612 360 H LEU 71 H LEU 71 0.518 11.127 29.744 361 HA LEU 71 HA LEU 71 -1.621 9.436 30.126 362 HB2 LEU 71 HB3 LEU 71 0.871 9.186 29.631 363 HB3 LEU 71 HB2 LEU 71 1.155 9.388 31.363 364 HG LEU 71 HG LEU 71 0.048 7.245 31.733 365 HD11 LEU 71 HD11 LEU 71 -0.197 7.155 28.685 366 HD12 LEU 71 HD12 LEU 71 -0.507 5.786 29.774 367 HD13 LEU 71 HD13 LEU 71 -1.557 7.207 29.835 368 HD21 LEU 71 HD21 LEU 71 2.477 7.346 31.270 369 HD22 LEU 71 HD22 LEU 71 1.817 5.878 30.525 370 HD23 LEU 71 HD23 LEU 71 2.188 7.309 29.523 371 H GLU 72 H GLU 72 -0.006 11.518 32.405 372 HA GLU 72 HA GLU 72 -1.418 10.394 34.756 373 HB2 GLU 72 HB3 GLU 72 0.088 11.359 36.099 374 HB3 GLU 72 HB2 GLU 72 1.116 11.149 34.625 375 HG2 GLU 72 HG2 GLU 72 0.992 13.346 34.054 376 HG3 GLU 72 HG3 GLU 72 -0.160 13.771 35.330 377 H TRP 73 H TRP 73 -1.404 13.347 32.758 378 HA TRP 73 HA TRP 73 -3.111 14.916 34.422 379 HB2 TRP 73 HB2 TRP 73 -1.743 15.791 32.607 380 HB3 TRP 73 HB3 TRP 73 -2.725 14.937 31.416 381 HD1 TRP 73 HD1 TRP 73 -2.996 17.777 34.020 382 HE1 TRP 73 HE1 TRP 73 -4.853 19.416 33.312 383 HE3 TRP 73 HE3 TRP 73 -4.672 15.328 29.855 384 HZ2 TRP 73 HZ2 TRP 73 -6.914 19.549 31.292 385 HZ3 TRP 73 HZ3 TRP 73 -6.581 16.234 28.548 386 HH2 TRP 73 HH2 TRP 73 -7.704 18.342 29.255 387 H VAL 74 H VAL 74 -3.922 12.750 31.637 388 HA VAL 74 HA VAL 74 -6.809 13.051 32.011 389 HB VAL 74 HB VAL 74 -7.051 11.050 30.657 390 HG11 VAL 74 HG11 VAL 74 -6.532 13.161 29.487 391 HG12 VAL 74 HG12 VAL 74 -4.806 12.730 29.495 392 HG13 VAL 74 HG13 VAL 74 -5.969 11.726 28.609 393 HG21 VAL 74 HG21 VAL 74 -5.326 9.568 31.499 394 HG22 VAL 74 HG22 VAL 74 -5.091 9.793 29.774 395 HG23 VAL 74 HG23 VAL 74 -4.040 10.640 30.935 396 H ALA 75 H ALA 75 -4.379 11.092 33.620 397 HA ALA 75 HA ALA 75 -6.224 9.149 34.706 398 HB1 ALA 75 HB1 ALA 75 -3.543 9.969 35.886 399 HB2 ALA 75 HB2 ALA 75 -4.471 8.507 36.235 400 HB3 ALA 75 HB3 ALA 75 -3.788 8.739 34.620 401 H SER 76 H SER 76 -4.993 12.268 35.951 402 HA SER 76 HA SER 76 -6.550 12.155 38.382 403 HB2 SER 76 HB2 SER 76 -5.893 14.386 38.801 404 HB3 SER 76 HB3 SER 76 -4.512 13.518 38.124 405 HG SER 76 HG SER 76 -4.666 15.521 37.165 406 H LYS 77 H LYS 77 -7.870 12.348 35.276 407 HA LYS 77 HA LYS 77 -10.147 14.082 36.133 408 HB2 LYS 77 HB2 LYS 77 -9.528 12.865 33.442 409 HB3 LYS 77 HB3 LYS 77 -10.750 14.075 33.758 410 HG2 LYS 77 HG2 LYS 77 -7.741 14.383 33.875 411 HG3 LYS 77 HG3 LYS 77 -8.758 14.945 32.566 412 HD2 LYS 77 HD2 LYS 77 -9.815 16.586 34.004 413 HD3 LYS 77 HD3 LYS 77 -8.967 15.970 35.436 414 HE2 LYS 77 HE2 LYS 77 -7.558 17.120 32.997 415 HE3 LYS 77 HE3 LYS 77 -8.008 18.085 34.409 416 HZ1 LYS 77 HZ1 LYS 77 -6.612 16.628 35.784 417 HZ2 LYS 77 HZ2 LYS 77 -6.210 15.714 34.507 418 HZ3 LYS 77 HZ3 LYS 77 -5.715 17.268 34.569 419 H ASN 78 H ASN 78 -9.299 11.083 36.668 420 HA ASN 78 HA ASN 78 -10.363 9.303 37.459 421 HB2 ASN 78 HB3 ASN 78 -12.209 9.739 38.453 422 HB3 ASN 78 HB2 ASN 78 -12.298 11.277 37.667 423 HD21 ASN 78 HD22 ASN 78 -13.447 11.223 35.445 424 HD22 ASN 78 HD21 ASN 78 -14.931 10.257 35.407 425 H ILE 79 H ILE 79 -9.295 9.448 34.877 426 HA ILE 79 HA ILE 79 -10.937 7.479 33.373 427 HB ILE 79 HB ILE 79 -9.066 9.204 31.863 428 HG12 ILE 79 HG13 ILE 79 -11.542 10.419 33.172 429 HG13 ILE 79 HG12 ILE 79 -9.944 10.841 33.355 430 HG21 ILE 79 HG21 ILE 79 -11.939 8.311 31.377 431 HG22 ILE 79 HG22 ILE 79 -10.835 9.043 30.189 432 HG23 ILE 79 HG23 ILE 79 -10.480 7.444 30.827 433 HD11 ILE 79 HD11 ILE 79 -11.506 11.110 30.734 434 HD12 ILE 79 HD12 ILE 79 -11.091 12.418 31.830 435 HD13 ILE 79 HD13 ILE 79 -9.797 11.578 30.948 436 H ASP 80 H ASP 80 -9.940 5.794 32.295 437 HA ASP 80 HA ASP 80 -6.998 5.442 32.493 438 HB2 ASP 80 HB2 ASP 80 -8.125 4.337 34.420 439 HB3 ASP 80 HB3 ASP 80 -9.066 3.361 33.301 440 H ILE 81 H ILE 81 -6.381 5.322 30.443 441 HA ILE 81 HA ILE 81 -8.021 4.544 28.225 442 HB ILE 81 HB ILE 81 -5.967 4.630 26.905 443 HG12 ILE 81 HG13 ILE 81 -4.487 5.173 29.524 444 HG13 ILE 81 HG12 ILE 81 -4.377 3.685 28.579 445 HG21 ILE 81 HG21 ILE 81 -5.630 6.997 27.130 446 HG22 ILE 81 HG22 ILE 81 -7.314 6.645 27.512 447 HG23 ILE 81 HG23 ILE 81 -6.162 6.982 28.825 448 HD11 ILE 81 HD11 ILE 81 -3.455 6.446 27.710 449 HD12 ILE 81 HD12 ILE 81 -2.459 5.028 28.071 450 HD13 ILE 81 HD13 ILE 81 -3.508 5.023 26.639 451 H SER 82 H SER 82 -6.355 2.590 30.510 452 HA SER 82 HA SER 82 -5.958 0.326 28.722 453 HB2 SER 82 HB3 SER 82 -4.522 0.985 30.740 454 HB3 SER 82 HB2 SER 82 -5.816 0.332 31.757 455 HG SER 82 HG SER 82 -5.538 -1.674 30.605 456 H LYS 83 H LYS 83 -8.777 1.558 29.994 457 HA LYS 83 HA LYS 83 -10.106 -1.121 30.171 458 HB2 LYS 83 HB2 LYS 83 -10.494 1.385 31.860 459 HB3 LYS 83 HB3 LYS 83 -11.700 0.106 31.768 460 HG2 LYS 83 HG2 LYS 83 -9.917 -1.549 32.485 461 HG3 LYS 83 HG3 LYS 83 -8.836 -0.181 32.779 462 HD2 LYS 83 HD2 LYS 83 -11.529 -0.657 34.137 463 HD3 LYS 83 HD3 LYS 83 -9.945 -1.020 34.833 464 HE2 LYS 83 HE2 LYS 83 -9.330 1.385 34.695 465 HE3 LYS 83 HE3 LYS 83 -10.931 1.758 34.039 466 HZ1 LYS 83 HZ1 LYS 83 -11.897 0.920 36.120 467 HZ2 LYS 83 HZ2 LYS 83 -10.414 0.584 36.721 468 HZ3 LYS 83 HZ3 LYS 83 -10.849 2.130 36.438 469 HA PRO 84 HA PRO 84 -12.826 0.466 27.065 470 HB2 PRO 84 HB3 PRO 84 -14.912 -1.283 27.146 471 HB3 PRO 84 HB2 PRO 84 -13.238 -1.776 26.761 472 HG2 PRO 84 HG3 PRO 84 -14.616 -1.893 29.475 473 HG3 PRO 84 HG2 PRO 84 -13.798 -3.236 28.607 474 HD2 PRO 84 HD3 PRO 84 -12.521 -1.718 30.492 475 HD3 PRO 84 HD2 PRO 84 -11.670 -2.355 29.053 476 H GLY 85 H GLY 85 -12.983 1.781 29.658 477 HA2 GLY 85 HA2 GLY 85 -15.727 2.993 29.523 478 HA3 GLY 85 HA3 GLY 85 -14.827 2.793 31.034 479 H ALA 86 H ALA 86 -12.632 3.495 28.576 480 HA ALA 86 HA ALA 86 -11.898 6.027 29.605 481 HB1 ALA 86 HB1 ALA 86 -10.345 6.079 27.699 482 HB2 ALA 86 HB2 ALA 86 -10.392 4.457 28.418 483 HB3 ALA 86 HB3 ALA 86 -11.255 4.778 26.898 484 H ASP 87 H ASP 87 -12.118 8.102 28.903 485 HA ASP 87 HA ASP 87 -13.740 8.856 26.565 486 HB2 ASP 87 HB3 ASP 87 -15.345 8.421 28.468 487 HB3 ASP 87 HB2 ASP 87 -14.532 9.680 29.394 488 H VAL 88 H VAL 88 -11.005 9.112 27.070 489 HA VAL 88 HA VAL 88 -10.159 11.516 28.267 490 HB VAL 88 HB VAL 88 -8.034 11.130 27.079 491 HG11 VAL 88 HG11 VAL 88 -9.121 8.636 28.433 492 HG12 VAL 88 HG12 VAL 88 -7.441 9.201 28.370 493 HG13 VAL 88 HG13 VAL 88 -8.643 10.117 29.286 494 HG21 VAL 88 HG21 VAL 88 -9.348 8.606 25.964 495 HG22 VAL 88 HG22 VAL 88 -8.758 9.974 25.000 496 HG23 VAL 88 HG23 VAL 88 -7.621 8.999 25.926 497 H LYS 89 H LYS 89 -11.125 13.361 27.736 498 HA LYS 89 HA LYS 89 -10.371 14.700 25.241 499 HB2 LYS 89 HB2 LYS 89 -12.360 13.740 24.592 500 HB3 LYS 89 HB3 LYS 89 -13.132 13.922 26.189 501 HG2 LYS 89 HG2 LYS 89 -13.409 16.331 25.768 502 HG3 LYS 89 HG3 LYS 89 -12.607 16.126 24.187 503 HD2 LYS 89 HD2 LYS 89 -14.275 14.193 23.790 504 HD3 LYS 89 HD3 LYS 89 -15.209 14.825 25.139 505 HE2 LYS 89 HE2 LYS 89 -14.566 16.292 22.540 506 HE3 LYS 89 HE3 LYS 89 -16.084 15.467 22.911 507 HZ1 LYS 89 HZ1 LYS 89 -16.292 17.044 24.842 508 HZ2 LYS 89 HZ2 LYS 89 -14.991 17.865 24.228 509 HZ3 LYS 89 HZ3 LYS 89 -16.375 17.768 23.375 510 H CYS 90 H CYS 90 -10.160 16.799 25.427 511 HA CYS 90 HA CYS 90 -9.312 17.869 27.880 512 HB2 CYS 90 HB2 CYS 90 -8.392 18.045 25.611 513 HB3 CYS 90 HB3 CYS 90 -9.704 19.142 25.154 514 H ASP 91 H ASP 91 -9.669 20.230 28.250 515 HA ASP 91 HA ASP 91 -12.531 21.025 28.557 516 HB2 ASP 91 HB2 ASP 91 -10.386 21.001 30.720 517 HB3 ASP 91 HB3 ASP 91 -11.915 21.857 30.867 518 H ILE 92 H ILE 92 -9.494 21.901 27.372 519 HA ILE 92 HA ILE 92 -9.815 24.830 27.875 520 HB ILE 92 HB ILE 92 -7.775 23.409 26.113 521 HG12 ILE 92 HG12 ILE 92 -7.581 24.348 29.016 522 HG13 ILE 92 HG13 ILE 92 -7.479 22.685 28.437 523 HG21 ILE 92 HG21 ILE 92 -7.827 26.257 27.211 524 HG22 ILE 92 HG22 ILE 92 -6.585 25.551 26.153 525 HG23 ILE 92 HG23 ILE 92 -8.202 25.801 25.535 526 HD11 ILE 92 HD11 ILE 92 -5.424 24.882 28.022 527 HD12 ILE 92 HD12 ILE 92 -5.263 23.388 28.952 528 HD13 ILE 92 HD13 ILE 92 -5.379 23.313 27.180 529 H CYS 93 H CYS 93 -9.238 22.924 24.935 530 HA CYS 93 HA CYS 93 -10.989 24.541 23.222 531 HB2 CYS 93 HB2 CYS 93 -9.876 22.989 21.507 532 HB3 CYS 93 HB3 CYS 93 -8.777 24.016 22.435 533 H HIS 94 H HIS 94 -11.062 21.750 25.157 534 HA HIS 94 HA HIS 94 -12.458 20.101 25.612 535 HB2 HIS 94 HB2 HIS 94 -14.493 21.511 23.871 536 HB3 HIS 94 HB3 HIS 94 -14.815 20.143 24.917 537 HD1 HIS 94 HD1 HIS 94 -13.535 23.800 25.382 538 HD2 HIS 94 HD2 HIS 94 -15.473 20.631 27.363 539 HE1 HIS 94 HE1 HIS 94 -14.279 24.718 27.634 540 H TYR 95 H TYR 95 -10.642 20.055 23.144 541 HA TYR 95 HA TYR 95 -11.900 18.195 21.362 542 HB2 TYR 95 HB2 TYR 95 -9.162 19.443 21.597 543 HB3 TYR 95 HB3 TYR 95 -9.278 18.061 20.624 544 HD1 TYR 95 HD2 TYR 95 -11.092 21.254 21.104 545 HD2 TYR 95 HD1 TYR 95 -9.983 18.092 18.440 546 HE1 TYR 95 HE2 TYR 95 -12.278 22.447 19.306 547 HE2 TYR 95 HE1 TYR 95 -11.233 19.241 16.572 548 HH TYR 95 HH TYR 95 -12.495 21.058 15.964 549 HA PRO 96 HA PRO 96 -10.912 14.252 23.201 550 HB2 PRO 96 HB3 PRO 96 -10.406 13.270 20.423 551 HB3 PRO 96 HB2 PRO 96 -11.528 12.625 21.666 552 HG2 PRO 96 HG3 PRO 96 -12.464 14.041 19.531 553 HG3 PRO 96 HG2 PRO 96 -13.154 14.280 21.179 554 HD2 PRO 96 HD3 PRO 96 -11.049 15.906 19.807 555 HD3 PRO 96 HD2 PRO 96 -12.566 16.463 20.582 556 H ILE 97 H ILE 97 -9.171 12.987 23.677 557 HA ILE 97 HA ILE 97 -6.515 14.166 23.004 558 HB ILE 97 HB ILE 97 -7.641 12.514 25.249 559 HG12 ILE 97 HG12 ILE 97 -8.017 15.079 25.086 560 HG13 ILE 97 HG13 ILE 97 -7.522 14.432 26.617 561 HG21 ILE 97 HG21 ILE 97 -5.589 12.468 26.413 562 HG22 ILE 97 HG22 ILE 97 -5.467 11.575 24.914 563 HG23 ILE 97 HG23 ILE 97 -4.732 13.186 25.022 564 HD11 ILE 97 HD11 ILE 97 -6.378 16.547 25.879 565 HD12 ILE 97 HD12 ILE 97 -5.279 15.236 26.350 566 HD13 ILE 97 HD13 ILE 97 -5.557 15.585 24.632 567 H GLN 98 H GLN 98 -4.896 12.998 22.141 568 HA GLN 98 HA GLN 98 -5.288 10.073 21.642 569 HB2 GLN 98 HB2 GLN 98 -4.581 12.183 19.561 570 HB3 GLN 98 HB3 GLN 98 -4.296 10.460 19.323 571 HG2 GLN 98 HG2 GLN 98 -7.023 11.694 19.830 572 HG3 GLN 98 HG3 GLN 98 -6.375 11.255 18.255 573 HE21 GLN 98 HE22 GLN 98 -8.783 10.165 19.054 574 HE22 GLN 98 HE21 GLN 98 -8.549 8.450 19.379 575 H PHE 99 H PHE 99 -3.645 8.820 21.797 576 HA PHE 99 HA PHE 99 -1.034 9.964 22.645 577 HB2 PHE 99 HB2 PHE 99 -2.262 7.201 23.013 578 HB3 PHE 99 HB3 PHE 99 -0.653 7.671 23.540 579 HD1 PHE 99 HD2 PHE 99 -4.273 8.528 24.116 580 HD2 PHE 99 HD1 PHE 99 -0.229 8.574 25.625 581 HE1 PHE 99 HE2 PHE 99 -5.101 9.290 26.328 582 HE2 PHE 99 HE1 PHE 99 -1.066 9.298 27.835 583 HZ PHE 99 HZ PHE 99 -3.498 9.657 28.194 584 H LYS 100 H LYS 100 -2.039 9.583 19.839 585 HA LYS 100 HA LYS 100 0.465 8.655 18.620 586 HB2 LYS 100 HB2 LYS 100 -0.905 6.635 18.969 587 HB3 LYS 100 HB3 LYS 100 -2.258 7.346 18.102 588 HG2 LYS 100 HG3 LYS 100 0.413 7.162 16.718 589 HG3 LYS 100 HG2 LYS 100 -0.494 5.664 16.970 590 HD2 LYS 100 HD2 LYS 100 -2.391 6.471 15.708 591 HD3 LYS 100 HD3 LYS 100 -1.706 8.095 15.609 592 HE2 LYS 100 HE2 LYS 100 0.307 7.007 14.412 593 HE3 LYS 100 HE3 LYS 100 -0.706 5.564 14.250 594 HZ1 LYS 100 HZ1 LYS 100 -1.369 8.291 13.269 595 HZ2 LYS 100 HZ2 LYS 100 -0.883 7.049 12.311 596 HZ3 LYS 100 HZ3 LYS 100 -2.335 6.975 13.066 597 H THR 101 H THR 101 0.878 9.711 16.745 598 HA THR 101 HA THR 101 -0.335 12.160 16.103 599 HB THR 101 HB THR 101 1.420 10.499 14.267 600 HG1 THR 101 HG1 THR 101 3.114 11.500 15.372 601 HG21 THR 101 HG21 THR 101 2.260 12.729 13.555 602 HG22 THR 101 HG22 THR 101 0.533 12.559 13.217 603 HG23 THR 101 HG23 THR 101 1.068 13.517 14.615 Start of MODEL 18 1 H1 VAL 19 H1 VAL 19 -17.121 53.922 18.323 2 H2 VAL 19 H2 VAL 19 -18.691 53.607 17.936 3 H3 VAL 19 H3 VAL 19 -17.486 52.632 17.382 4 HA VAL 19 HA VAL 19 -16.971 51.801 19.497 5 HB VAL 19 HB VAL 19 -18.429 52.341 21.451 6 HG11 VAL 19 HG11 VAL 19 -16.696 54.633 20.433 7 HG12 VAL 19 HG12 VAL 19 -17.117 54.268 22.115 8 HG13 VAL 19 HG13 VAL 19 -16.102 53.142 21.205 9 HG21 VAL 19 HG21 VAL 19 -19.161 54.884 19.919 10 HG22 VAL 19 HG22 VAL 19 -20.292 53.574 20.341 11 HG23 VAL 19 HG23 VAL 19 -19.513 54.515 21.613 12 H ALA 20 H ALA 20 -17.658 49.776 19.660 13 HA ALA 20 HA ALA 20 -20.474 49.020 19.495 14 HB1 ALA 20 HB1 ALA 20 -19.891 49.261 17.090 15 HB2 ALA 20 HB2 ALA 20 -18.498 48.184 17.309 16 HB3 ALA 20 HB3 ALA 20 -20.152 47.562 17.503 17 H ASN 21 H ASN 21 -20.736 46.651 19.792 18 HA ASN 21 HA ASN 21 -19.008 45.614 21.872 19 HB2 ASN 21 HB2 ASN 21 -21.315 44.367 20.315 20 HB3 ASN 21 HB3 ASN 21 -20.562 43.639 21.728 21 HD21 ASN 21 HD22 ASN 21 -23.366 44.865 21.126 22 HD22 ASN 21 HD21 ASN 21 -23.616 45.868 22.549 23 H GLU 22 H GLU 22 -18.590 45.518 18.535 24 HA GLU 22 HA GLU 22 -16.574 43.342 18.712 25 HB2 GLU 22 HB3 GLU 22 -17.354 42.321 16.648 26 HB3 GLU 22 HB2 GLU 22 -18.608 42.298 17.882 27 HG2 GLU 22 HG2 GLU 22 -19.715 44.250 16.819 28 HG3 GLU 22 HG3 GLU 22 -18.457 44.299 15.586 29 H GLU 23 H GLU 23 -16.718 46.388 18.406 30 HA GLU 23 HA GLU 23 -15.933 47.452 16.047 31 HB2 GLU 23 HB3 GLU 23 -16.219 48.604 18.293 32 HB3 GLU 23 HB2 GLU 23 -14.564 48.137 18.667 33 HG2 GLU 23 HG2 GLU 23 -14.476 50.383 17.947 34 HG3 GLU 23 HG3 GLU 23 -13.827 49.453 16.606 35 H THR 24 H THR 24 -13.632 45.799 18.173 36 HA THR 24 HA THR 24 -11.771 45.410 15.876 37 HB THR 24 HB THR 24 -9.852 45.759 17.406 38 HG1 THR 24 HG1 THR 24 -10.199 46.884 19.322 39 HG21 THR 24 HG21 THR 24 -10.654 47.581 15.890 40 HG22 THR 24 HG22 THR 24 -11.655 48.212 17.217 41 HG23 THR 24 HG23 THR 24 -9.883 48.193 17.363 42 H ASP 25 H ASP 25 -11.179 43.387 15.585 43 HA ASP 25 HA ASP 25 -10.869 41.442 17.761 44 HB2 ASP 25 HB2 ASP 25 -13.321 41.404 17.259 45 HB3 ASP 25 HB3 ASP 25 -12.961 41.105 15.560 46 H THR 26 H THR 26 -9.810 39.487 17.030 47 HA THR 26 HA THR 26 -8.820 39.293 14.261 48 HB THR 26 HB THR 26 -6.471 38.918 15.065 49 HG1 THR 26 HG1 THR 26 -5.883 39.850 17.029 50 HG21 THR 26 HG21 THR 26 -7.138 41.057 13.963 51 HG22 THR 26 HG22 THR 26 -7.423 41.763 15.571 52 HG23 THR 26 HG23 THR 26 -5.794 41.231 15.102 53 H ALA 27 H ALA 27 -8.238 37.235 13.667 54 HA ALA 27 HA ALA 27 -7.942 35.077 15.582 55 HB1 ALA 27 HB1 ALA 27 -9.904 33.767 14.804 56 HB2 ALA 27 HB2 ALA 27 -10.459 35.325 15.449 57 HB3 ALA 27 HB3 ALA 27 -10.344 35.075 13.686 58 H THR 28 H THR 28 -6.555 36.310 13.299 59 HA THR 28 HA THR 28 -6.179 33.957 11.493 60 HB THR 28 HB THR 28 -5.121 35.704 9.969 61 HG1 THR 28 HG1 THR 28 -5.810 37.815 10.312 62 HG21 THR 28 HG21 THR 28 -7.360 34.727 9.570 63 HG22 THR 28 HG22 THR 28 -8.094 35.969 10.607 64 HG23 THR 28 HG23 THR 28 -7.296 36.428 9.086 65 H PHE 29 H PHE 29 -4.464 32.825 11.685 66 HA PHE 29 HA PHE 29 -1.851 34.008 12.448 67 HB2 PHE 29 HB2 PHE 29 -1.447 32.118 13.959 68 HB3 PHE 29 HB3 PHE 29 -2.724 33.178 14.513 69 HD1 PHE 29 HD2 PHE 29 -5.135 32.437 14.401 70 HD2 PHE 29 HD1 PHE 29 -1.863 29.762 13.541 71 HE1 PHE 29 HE2 PHE 29 -6.655 30.495 14.665 72 HE2 PHE 29 HE1 PHE 29 -3.379 27.819 13.837 73 HZ PHE 29 HZ PHE 29 -5.779 28.179 14.385 74 H ASN 30 H ASN 30 -0.241 33.365 11.189 75 HA ASN 30 HA ASN 30 -0.722 31.381 9.055 76 HB2 ASN 30 HB2 ASN 30 0.165 33.670 8.603 77 HB3 ASN 30 HB3 ASN 30 1.585 33.310 9.589 78 HD21 ASN 30 HD22 ASN 30 -0.207 32.148 6.676 79 HD22 ASN 30 HD21 ASN 30 1.248 31.608 5.853 80 H ASP 31 H ASP 31 0.784 31.399 12.131 81 HA ASP 31 HA ASP 31 1.957 28.722 11.744 82 HB2 ASP 31 HB3 ASP 31 3.751 30.396 11.219 83 HB3 ASP 31 HB2 ASP 31 3.521 31.110 12.815 84 H ASP 32 H ASP 32 2.604 27.819 13.885 85 HA ASP 32 HA ASP 32 1.335 28.943 16.279 86 HB2 ASP 32 HB3 ASP 32 -0.413 27.602 14.919 87 HB3 ASP 32 HB2 ASP 32 0.513 26.170 15.318 88 H ALA 33 H ALA 33 3.970 27.778 15.103 89 HA ALA 33 HA ALA 33 4.769 25.699 16.915 90 HB1 ALA 33 HB1 ALA 33 6.946 26.029 15.855 91 HB2 ALA 33 HB2 ALA 33 5.611 25.829 14.667 92 HB3 ALA 33 HB3 ALA 33 6.303 27.441 14.988 93 HA PRO 34 HA PRO 34 6.037 28.580 20.233 94 HB2 PRO 34 HB3 PRO 34 7.316 26.134 21.285 95 HB3 PRO 34 HB2 PRO 34 6.132 27.192 22.089 96 HG2 PRO 34 HG3 PRO 34 5.568 24.644 21.132 97 HG3 PRO 34 HG2 PRO 34 4.360 25.910 21.200 98 HD2 PRO 34 HD3 PRO 34 5.850 24.932 18.786 99 HD3 PRO 34 HD2 PRO 34 4.218 25.617 18.962 100 H SER 35 H SER 35 8.078 28.586 21.495 101 HA SER 35 HA SER 35 10.403 29.039 19.840 102 HB2 SER 35 HB2 SER 35 11.453 29.999 21.902 103 HB3 SER 35 HB3 SER 35 9.862 30.672 21.541 104 HG SER 35 HG SER 35 10.564 28.783 23.538 105 H GLY 36 H GLY 36 9.760 26.398 19.878 106 HA2 GLY 36 HA2 GLY 36 11.739 24.800 19.435 107 HA3 GLY 36 HA3 GLY 36 12.038 24.962 21.180 108 H ALA 37 H ALA 37 9.426 25.179 22.039 109 HA ALA 37 HA ALA 37 7.410 24.360 22.408 110 HB1 ALA 37 HB1 ALA 37 8.010 21.866 20.831 111 HB2 ALA 37 HB2 ALA 37 6.454 22.435 21.475 112 HB3 ALA 37 HB3 ALA 37 7.264 23.376 20.205 113 H THR 38 H THR 38 6.865 23.748 24.190 114 HA THR 38 HA THR 38 8.397 21.897 25.939 115 HB THR 38 HB THR 38 8.162 23.570 27.716 116 HG1 THR 38 HG1 THR 38 7.636 25.704 27.100 117 HG21 THR 38 HG21 THR 38 9.509 25.217 25.649 118 HG22 THR 38 HG22 THR 38 10.181 24.435 27.098 119 HG23 THR 38 HG23 THR 38 9.988 23.522 25.590 120 H CYS 39 H CYS 39 7.335 20.936 27.687 121 HA CYS 39 HA CYS 39 4.647 20.116 27.382 122 HB2 CYS 39 HB2 CYS 39 6.542 18.937 28.538 123 HB3 CYS 39 HB3 CYS 39 6.551 20.141 29.770 124 H ARG 40 H ARG 40 2.682 21.018 28.155 125 HA ARG 40 HA ARG 40 2.769 23.594 29.599 126 HB2 ARG 40 HB2 ARG 40 0.366 23.412 29.774 127 HB3 ARG 40 HB3 ARG 40 0.962 23.317 28.131 128 HG2 ARG 40 HG2 ARG 40 0.226 21.220 27.758 129 HG3 ARG 40 HG3 ARG 40 0.542 20.665 29.401 130 HD2 ARG 40 HD2 ARG 40 -1.502 21.062 30.096 131 HD3 ARG 40 HD3 ARG 40 -1.584 22.669 29.418 132 HE ARG 40 HE ARG 40 -2.077 21.648 27.185 133 HH11 ARG 40 HH22 ARG 40 -3.031 19.861 30.049 134 HH12 ARG 40 HH21 ARG 40 -4.373 19.102 29.245 135 HH21 ARG 40 HH12 ARG 40 -3.948 20.796 26.287 136 HH22 ARG 40 HH11 ARG 40 -4.864 19.622 27.162 137 H ILE 41 H ILE 41 2.876 20.341 30.573 138 HA ILE 41 HA ILE 41 1.866 20.766 33.287 139 HB ILE 41 HB ILE 41 3.098 18.311 31.980 140 HG12 ILE 41 HG12 ILE 41 0.245 18.855 32.786 141 HG13 ILE 41 HG13 ILE 41 0.809 19.158 31.159 142 HG21 ILE 41 HG21 ILE 41 2.346 17.041 33.900 143 HG22 ILE 41 HG22 ILE 41 3.587 18.206 34.318 144 HG23 ILE 41 HG23 ILE 41 1.878 18.553 34.721 145 HD11 ILE 41 HD11 ILE 41 0.713 16.445 32.510 146 HD12 ILE 41 HD12 ILE 41 -0.487 17.101 31.409 147 HD13 ILE 41 HD13 ILE 41 1.153 16.803 30.805 148 H CYS 42 H CYS 42 5.102 20.321 31.717 149 HA CYS 42 HA CYS 42 6.363 20.903 34.382 150 HB2 CYS 42 HB3 CYS 42 7.416 19.557 31.865 151 HB3 CYS 42 HB2 CYS 42 8.287 19.736 33.405 152 H ARG 43 H ARG 43 5.855 22.387 31.388 153 HA ARG 43 HA ARG 43 6.628 24.198 30.285 154 HB2 ARG 43 HB3 ARG 43 7.802 25.141 32.921 155 HB3 ARG 43 HB2 ARG 43 7.420 26.129 31.512 156 HG2 ARG 43 HG2 ARG 43 5.418 24.636 33.261 157 HG3 ARG 43 HG3 ARG 43 5.704 26.372 33.245 158 HD2 ARG 43 HD2 ARG 43 4.806 26.583 30.988 159 HD3 ARG 43 HD3 ARG 43 4.728 24.839 30.797 160 HE ARG 43 HE ARG 43 2.848 24.664 32.138 161 HH11 ARG 43 HH12 ARG 43 3.842 28.033 32.193 162 HH12 ARG 43 HH11 ARG 43 2.321 28.545 32.872 163 HH21 ARG 43 HH22 ARG 43 0.986 25.370 32.975 164 HH22 ARG 43 HH21 ARG 43 0.736 27.061 33.311 165 H GLY 44 H GLY 44 7.922 21.971 29.923 166 HA2 GLY 44 HA2 GLY 44 10.318 22.877 28.536 167 HA3 GLY 44 HA3 GLY 44 10.689 21.787 29.874 168 H GLU 45 H GLU 45 10.445 19.753 27.054 169 HA GLU 45 HA GLU 45 11.252 22.483 26.594 170 HB2 GLU 45 HB3 GLU 45 12.676 20.130 27.809 171 HB3 GLU 45 HB2 GLU 45 13.538 20.842 26.516 172 HG2 GLU 45 HG2 GLU 45 13.238 23.064 27.490 173 HG3 GLU 45 HG3 GLU 45 12.553 22.307 28.910 174 H ALA 46 H ALA 46 11.998 20.231 23.870 175 HA ALA 46 HA ALA 46 10.446 18.495 25.718 176 HB1 ALA 46 HB1 ALA 46 10.138 18.487 23.138 177 HB2 ALA 46 HB2 ALA 46 11.757 17.803 23.039 178 HB3 ALA 46 HB3 ALA 46 10.471 16.919 23.880 179 H THR 47 H THR 47 11.585 16.012 25.709 180 HA THR 47 HA THR 47 14.541 16.384 26.099 181 HB THR 47 HB THR 47 14.613 14.787 27.851 182 HG1 THR 47 HG1 THR 47 13.063 13.618 28.426 183 HG21 THR 47 HG21 THR 47 13.661 16.036 29.634 184 HG22 THR 47 HG22 THR 47 14.272 17.147 28.376 185 HG23 THR 47 HG23 THR 47 12.508 16.839 28.534 186 H GLU 48 H GLU 48 15.872 14.846 25.479 187 HA GLU 48 HA GLU 48 15.312 13.262 23.333 188 HB2 GLU 48 HB3 GLU 48 17.435 12.990 25.474 189 HB3 GLU 48 HB2 GLU 48 17.541 12.202 23.891 190 HG2 GLU 48 HG2 GLU 48 17.465 14.447 22.782 191 HG3 GLU 48 HG3 GLU 48 17.508 15.214 24.372 192 H ASP 49 H ASP 49 14.267 12.439 26.390 193 HA ASP 49 HA ASP 49 14.158 9.501 25.844 194 HB2 ASP 49 HB2 ASP 49 14.365 9.051 28.116 195 HB3 ASP 49 HB3 ASP 49 15.646 10.216 27.773 196 H ASN 50 H ASN 50 12.485 12.449 26.540 197 HA ASN 50 HA ASN 50 9.961 11.161 26.125 198 HB2 ASN 50 HB2 ASN 50 10.236 11.044 28.621 199 HB3 ASN 50 HB3 ASN 50 10.643 12.766 28.631 200 HD21 ASN 50 HD22 ASN 50 9.026 13.770 29.611 201 HD22 ASN 50 HD21 ASN 50 7.408 13.453 29.146 202 HA PRO 51 HA PRO 51 10.380 14.850 23.440 203 HB2 PRO 51 HB3 PRO 51 8.559 12.774 22.153 204 HB3 PRO 51 HB2 PRO 51 9.611 13.997 21.350 205 HG2 PRO 51 HG3 PRO 51 10.624 11.548 21.622 206 HG3 PRO 51 HG2 PRO 51 11.539 12.990 22.239 207 HD2 PRO 51 HD3 PRO 51 10.003 11.055 23.944 208 HD3 PRO 51 HD2 PRO 51 11.632 11.712 24.089 209 H LEU 52 H LEU 52 8.632 15.942 22.238 210 HA LEU 52 HA LEU 52 5.998 15.977 23.739 211 HB2 LEU 52 HB3 LEU 52 7.245 18.358 22.388 212 HB3 LEU 52 HB2 LEU 52 5.745 18.314 23.317 213 HG LEU 52 HG LEU 52 8.341 17.624 24.640 214 HD11 LEU 52 HD11 LEU 52 8.580 19.916 25.263 215 HD12 LEU 52 HD12 LEU 52 8.491 19.823 23.501 216 HD13 LEU 52 HD13 LEU 52 7.060 20.345 24.403 217 HD21 LEU 52 HD21 LEU 52 7.298 18.440 26.628 218 HD22 LEU 52 HD22 LEU 52 5.778 18.750 25.748 219 HD23 LEU 52 HD23 LEU 52 6.421 17.086 25.915 220 H PHE 53 H PHE 53 4.205 16.500 22.669 221 HA PHE 53 HA PHE 53 3.961 16.746 19.794 222 HB2 PHE 53 HB2 PHE 53 2.909 14.731 19.329 223 HB3 PHE 53 HB3 PHE 53 4.238 14.203 20.333 224 HD1 PHE 53 HD1 PHE 53 3.501 14.294 23.071 225 HD2 PHE 53 HD2 PHE 53 0.906 13.644 19.676 226 HE1 PHE 53 HE1 PHE 53 1.791 13.307 24.560 227 HE2 PHE 53 HE2 PHE 53 -0.774 12.619 21.168 228 HZ PHE 53 HZ PHE 53 -0.365 12.492 23.611 229 H HIS 54 H HIS 54 1.222 16.322 19.610 230 HA HIS 54 HA HIS 54 0.032 17.831 21.853 231 HB2 HIS 54 HB2 HIS 54 -1.253 19.227 20.487 232 HB3 HIS 54 HB3 HIS 54 0.440 19.405 20.066 233 HD1 HIS 54 HD1 HIS 54 1.143 18.470 17.564 234 HD2 HIS 54 HD2 HIS 54 -2.938 18.557 18.576 235 HE1 HIS 54 HE1 HIS 54 -0.139 18.273 15.372 236 HA PRO 55 HA PRO 55 -2.568 14.098 21.517 237 HB2 PRO 55 HB3 PRO 55 -3.805 14.268 23.948 238 HB3 PRO 55 HB2 PRO 55 -2.146 14.043 23.904 239 HG2 PRO 55 HG3 PRO 55 -3.557 16.749 23.890 240 HG3 PRO 55 HG2 PRO 55 -2.668 16.199 25.166 241 HD2 PRO 55 HD3 PRO 55 -1.466 17.676 23.255 242 HD3 PRO 55 HD2 PRO 55 -0.579 16.181 23.694 243 H CYS 56 H CYS 56 -3.497 17.420 21.837 244 HA CYS 56 HA CYS 56 -6.194 17.055 20.848 245 HB2 CYS 56 HB2 CYS 56 -7.125 18.325 22.685 246 HB3 CYS 56 HB3 CYS 56 -6.354 16.877 23.212 247 H LYS 57 H LYS 57 -6.975 19.042 19.790 248 HA LYS 57 HA LYS 57 -5.020 20.850 18.849 249 HB2 LYS 57 HB2 LYS 57 -8.034 20.822 18.577 250 HB3 LYS 57 HB3 LYS 57 -6.956 21.813 17.597 251 HG2 LYS 57 HG2 LYS 57 -6.718 18.809 17.762 252 HG3 LYS 57 HG3 LYS 57 -7.717 19.612 16.557 253 HD2 LYS 57 HD2 LYS 57 -5.622 20.799 15.749 254 HD3 LYS 57 HD3 LYS 57 -4.687 19.881 16.943 255 HE2 LYS 57 HE3 LYS 57 -5.560 17.751 15.906 256 HE3 LYS 57 HE2 LYS 57 -6.271 18.729 14.615 257 HZ1 LYS 57 HZ1 LYS 57 -4.071 17.903 13.995 258 HZ2 LYS 57 HZ2 LYS 57 -4.007 19.532 14.109 259 HZ3 LYS 57 HZ3 LYS 57 -3.375 18.598 15.300 260 H CYS 58 H CYS 58 -5.100 21.084 21.579 261 HA CYS 58 HA CYS 58 -6.170 23.326 22.682 262 HB2 CYS 58 HB2 CYS 58 -3.826 21.643 23.127 263 HB3 CYS 58 HB3 CYS 58 -3.503 23.313 23.615 264 H ARG 59 H ARG 59 -4.497 23.704 19.827 265 HA ARG 59 HA ARG 59 -3.034 25.271 18.926 266 HB2 ARG 59 HB3 ARG 59 -5.390 25.319 18.218 267 HB3 ARG 59 HB2 ARG 59 -5.689 26.689 19.279 268 HG2 ARG 59 HG2 ARG 59 -3.428 26.782 17.256 269 HG3 ARG 59 HG3 ARG 59 -5.080 26.953 16.681 270 HD2 ARG 59 HD2 ARG 59 -3.800 28.773 18.753 271 HD3 ARG 59 HD3 ARG 59 -3.850 29.084 17.035 272 HE ARG 59 HE ARG 59 -6.181 29.411 17.075 273 HH11 ARG 59 HH12 ARG 59 -5.074 28.847 20.375 274 HH12 ARG 59 HH11 ARG 59 -6.464 29.660 21.044 275 HH21 ARG 59 HH21 ARG 59 -7.935 30.350 18.025 276 HH22 ARG 59 HH22 ARG 59 -8.040 30.451 19.756 277 H GLY 60 H GLY 60 -1.391 25.878 20.000 278 HA2 GLY 60 HA2 GLY 60 -0.450 28.251 20.441 279 HA3 GLY 60 HA3 GLY 60 -1.441 28.181 21.904 280 H SER 61 H SER 61 0.917 28.571 22.744 281 HA SER 61 HA SER 61 2.892 26.566 22.757 282 HB2 SER 61 HB2 SER 61 3.674 27.641 24.864 283 HB3 SER 61 HB3 SER 61 3.364 28.782 23.543 284 HG SER 61 HG SER 61 2.465 29.513 25.526 285 H ILE 62 H ILE 62 0.029 26.814 24.836 286 HA ILE 62 HA ILE 62 0.820 24.610 26.535 287 HB ILE 62 HB ILE 62 -1.467 24.829 27.522 288 HG12 ILE 62 HG12 ILE 62 -2.770 26.857 27.094 289 HG13 ILE 62 HG13 ILE 62 -1.751 27.281 25.721 290 HG21 ILE 62 HG21 ILE 62 -0.918 26.927 28.641 291 HG22 ILE 62 HG22 ILE 62 0.542 25.962 28.383 292 HG23 ILE 62 HG23 ILE 62 0.211 27.360 27.340 293 HD11 ILE 62 HD11 ILE 62 -2.572 25.367 24.461 294 HD12 ILE 62 HD12 ILE 62 -3.435 24.744 25.893 295 HD13 ILE 62 HD13 ILE 62 -3.955 26.253 25.117 296 H LYS 63 H LYS 63 -0.014 24.306 23.415 297 HA LYS 63 HA LYS 63 -1.716 21.908 23.715 298 HB2 LYS 63 HB2 LYS 63 -1.950 21.876 21.430 299 HB3 LYS 63 HB3 LYS 63 -1.733 23.602 21.714 300 HG2 LYS 63 HG2 LYS 63 0.731 23.288 21.106 301 HG3 LYS 63 HG3 LYS 63 0.368 21.613 20.707 302 HD2 LYS 63 HD2 LYS 63 -1.254 22.312 19.001 303 HD3 LYS 63 HD3 LYS 63 -0.934 24.018 19.395 304 HE2 LYS 63 HE3 LYS 63 1.455 23.701 18.816 305 HE3 LYS 63 HE2 LYS 63 1.137 22.012 18.384 306 HZ1 LYS 63 HZ1 LYS 63 -0.362 22.823 16.639 307 HZ2 LYS 63 HZ2 LYS 63 -0.114 24.381 17.099 308 HZ3 LYS 63 HZ3 LYS 63 1.114 23.506 16.439 309 H TYR 64 H TYR 64 1.590 22.510 24.028 310 HA TYR 64 HA TYR 64 2.398 19.835 23.071 311 HB2 TYR 64 HB2 TYR 64 3.905 22.322 23.823 312 HB3 TYR 64 HB3 TYR 64 4.705 20.745 23.819 313 HD1 TYR 64 HD2 TYR 64 4.722 19.329 21.766 314 HD2 TYR 64 HD1 TYR 64 3.323 23.401 21.719 315 HE1 TYR 64 HE2 TYR 64 5.101 19.390 19.343 316 HE2 TYR 64 HE1 TYR 64 3.674 23.468 19.258 317 HH TYR 64 HH TYR 64 4.937 20.673 17.407 318 H MET 65 H MET 65 3.101 18.251 24.321 319 HA MET 65 HA MET 65 3.107 18.478 27.281 320 HB2 MET 65 HB2 MET 65 1.150 16.729 25.695 321 HB3 MET 65 HB3 MET 65 1.421 16.633 27.438 322 HG2 MET 65 HG2 MET 65 0.632 18.959 27.688 323 HG3 MET 65 HG3 MET 65 0.314 19.032 25.948 324 HE1 MET 65 HE1 MET 65 -2.223 16.859 29.100 325 HE2 MET 65 HE2 MET 65 -0.483 16.530 28.938 326 HE3 MET 65 HE3 MET 65 -1.043 18.154 29.404 327 H HIS 66 H HIS 66 4.143 16.873 28.308 328 HA HIS 66 HA HIS 66 6.008 15.164 26.862 329 HB2 HIS 66 HB2 HIS 66 5.128 15.804 29.607 330 HB3 HIS 66 HB3 HIS 66 5.934 14.345 29.518 331 HD2 HIS 66 HD2 HIS 66 8.170 15.779 27.275 332 HE1 HIS 66 HE1 HIS 66 8.973 18.439 30.477 333 HE2 HIS 66 HE2 HIS 66 9.870 17.500 28.278 334 H GLU 67 H GLU 67 5.785 13.124 26.349 335 HA GLU 67 HA GLU 67 3.156 11.897 26.356 336 HB2 GLU 67 HB2 GLU 67 5.040 11.882 24.521 337 HB3 GLU 67 HB3 GLU 67 5.723 10.536 25.431 338 HG2 GLU 67 HG3 GLU 67 3.452 9.368 25.168 339 HG3 GLU 67 HG2 GLU 67 2.953 10.714 24.153 340 H SER 68 H SER 68 4.216 12.266 28.916 341 HA SER 68 HA SER 68 3.719 9.613 30.119 342 HB2 SER 68 HB2 SER 68 6.210 9.807 30.003 343 HB3 SER 68 HB3 SER 68 6.122 11.336 30.898 344 HG SER 68 HG SER 68 6.536 9.496 32.253 345 H CYS 69 H CYS 69 4.287 13.163 30.588 346 HA CYS 69 HA CYS 69 2.903 13.571 33.003 347 HB2 CYS 69 HB3 CYS 69 3.129 15.317 30.499 348 HB3 CYS 69 HB2 CYS 69 2.645 15.799 31.954 349 H LEU 70 H LEU 70 1.796 13.753 29.632 350 HA LEU 70 HA LEU 70 -0.937 14.467 30.036 351 HB2 LEU 70 HB3 LEU 70 0.125 14.466 27.893 352 HB3 LEU 70 HB2 LEU 70 0.630 12.897 27.979 353 HG LEU 70 HG LEU 70 -1.784 12.072 27.809 354 HD11 LEU 70 HD11 LEU 70 -3.368 13.734 26.920 355 HD12 LEU 70 HD12 LEU 70 -2.947 14.048 28.616 356 HD13 LEU 70 HD13 LEU 70 -2.236 15.026 27.287 357 HD21 LEU 70 HD21 LEU 70 -1.917 12.502 25.456 358 HD22 LEU 70 HD22 LEU 70 -0.753 13.857 25.605 359 HD23 LEU 70 HD23 LEU 70 -0.241 12.180 25.916 360 H LEU 71 H LEU 71 0.692 11.354 29.705 361 HA LEU 71 HA LEU 71 -1.575 9.791 29.757 362 HB2 LEU 71 HB2 LEU 71 1.374 9.294 30.255 363 HB3 LEU 71 HB3 LEU 71 0.270 8.017 30.649 364 HG LEU 71 HG LEU 71 -0.605 8.044 28.294 365 HD11 LEU 71 HD11 LEU 71 -0.117 10.280 27.542 366 HD12 LEU 71 HD12 LEU 71 1.612 10.098 27.915 367 HD13 LEU 71 HD13 LEU 71 0.887 9.192 26.578 368 HD21 LEU 71 HD21 LEU 71 1.181 6.489 28.995 369 HD22 LEU 71 HD22 LEU 71 1.383 6.984 27.307 370 HD23 LEU 71 HD23 LEU 71 2.411 7.700 28.567 371 H GLU 72 H GLU 72 0.069 11.379 32.258 372 HA GLU 72 HA GLU 72 -1.222 9.891 34.523 373 HB2 GLU 72 HB2 GLU 72 0.788 12.178 34.497 374 HB3 GLU 72 HB3 GLU 72 0.086 11.491 35.952 375 HG2 GLU 72 HG2 GLU 72 1.649 9.816 33.946 376 HG3 GLU 72 HG3 GLU 72 2.414 10.691 35.260 377 H TRP 73 H TRP 73 -1.214 13.128 32.947 378 HA TRP 73 HA TRP 73 -3.055 14.446 34.639 379 HB2 TRP 73 HB2 TRP 73 -1.630 15.439 32.872 380 HB3 TRP 73 HB3 TRP 73 -2.642 14.676 31.652 381 HD1 TRP 73 HD1 TRP 73 -2.997 17.283 34.497 382 HE1 TRP 73 HE1 TRP 73 -4.675 19.080 33.761 383 HE3 TRP 73 HE3 TRP 73 -4.477 15.216 30.066 384 HZ2 TRP 73 HZ2 TRP 73 -6.280 19.666 31.413 385 HZ3 TRP 73 HZ3 TRP 73 -6.082 16.387 28.604 386 HH2 TRP 73 HH2 TRP 73 -6.963 18.640 29.245 387 H VAL 74 H VAL 74 -3.793 12.534 31.646 388 HA VAL 74 HA VAL 74 -6.678 12.674 31.902 389 HB VAL 74 HB VAL 74 -6.786 10.745 30.449 390 HG11 VAL 74 HG11 VAL 74 -6.412 12.994 29.501 391 HG12 VAL 74 HG12 VAL 74 -4.659 12.684 29.494 392 HG13 VAL 74 HG13 VAL 74 -5.747 11.688 28.505 393 HG21 VAL 74 HG21 VAL 74 -4.885 9.364 31.209 394 HG22 VAL 74 HG22 VAL 74 -4.815 9.669 29.475 395 HG23 VAL 74 HG23 VAL 74 -3.756 10.554 30.573 396 H ALA 75 H ALA 75 -4.286 10.570 33.377 397 HA ALA 75 HA ALA 75 -6.213 8.640 34.407 398 HB1 ALA 75 HB1 ALA 75 -3.396 9.221 35.415 399 HB2 ALA 75 HB2 ALA 75 -4.377 7.788 35.754 400 HB3 ALA 75 HB3 ALA 75 -3.816 8.102 34.102 401 H SER 76 H SER 76 -4.802 11.644 35.726 402 HA SER 76 HA SER 76 -5.965 11.504 38.338 403 HB2 SER 76 HB2 SER 76 -5.111 13.902 36.676 404 HB3 SER 76 HB3 SER 76 -5.593 13.973 38.379 405 HG SER 76 HG SER 76 -3.317 13.781 38.136 406 H LYS 77 H LYS 77 -7.526 12.049 35.302 407 HA LYS 77 HA LYS 77 -9.801 13.610 36.324 408 HB2 LYS 77 HB2 LYS 77 -9.664 11.937 33.790 409 HB3 LYS 77 HB3 LYS 77 -10.749 13.281 34.127 410 HG2 LYS 77 HG2 LYS 77 -7.756 13.467 33.678 411 HG3 LYS 77 HG3 LYS 77 -9.003 13.818 32.490 412 HD2 LYS 77 HD2 LYS 77 -9.826 15.685 33.884 413 HD3 LYS 77 HD3 LYS 77 -8.544 15.367 35.082 414 HE2 LYS 77 HE3 LYS 77 -6.804 15.868 33.503 415 HE3 LYS 77 HE2 LYS 77 -7.939 15.861 32.144 416 HZ1 LYS 77 HZ1 LYS 77 -7.414 18.119 32.836 417 HZ2 LYS 77 HZ2 LYS 77 -9.008 17.803 33.019 418 HZ3 LYS 77 HZ3 LYS 77 -8.023 17.851 34.340 419 H ASN 78 H ASN 78 -8.951 10.378 36.798 420 HA ASN 78 HA ASN 78 -10.066 8.583 37.637 421 HB2 ASN 78 HB3 ASN 78 -10.574 9.942 39.432 422 HB3 ASN 78 HB2 ASN 78 -11.725 10.918 38.578 423 HD21 ASN 78 HD22 ASN 78 -13.767 10.599 38.928 424 HD22 ASN 78 HD21 ASN 78 -14.478 9.148 39.634 425 H ILE 79 H ILE 79 -10.146 8.470 35.065 426 HA ILE 79 HA ILE 79 -12.816 7.342 34.407 427 HB ILE 79 HB ILE 79 -11.419 8.880 32.254 428 HG12 ILE 79 HG12 ILE 79 -13.050 10.310 34.394 429 HG13 ILE 79 HG13 ILE 79 -11.365 10.550 33.938 430 HG21 ILE 79 HG21 ILE 79 -14.357 8.382 32.937 431 HG22 ILE 79 HG22 ILE 79 -13.770 9.150 31.451 432 HG23 ILE 79 HG23 ILE 79 -13.384 7.471 31.755 433 HD11 ILE 79 HD11 ILE 79 -12.625 12.362 33.044 434 HD12 ILE 79 HD12 ILE 79 -11.982 11.376 31.725 435 HD13 ILE 79 HD13 ILE 79 -13.710 11.270 32.173 436 H ASP 80 H ASP 80 -12.787 5.711 32.790 437 HA ASP 80 HA ASP 80 -10.407 4.113 32.712 438 HB2 ASP 80 HB3 ASP 80 -12.991 3.479 32.353 439 HB3 ASP 80 HB2 ASP 80 -12.572 3.731 30.641 440 H ILE 81 H ILE 81 -8.638 4.500 31.495 441 HA ILE 81 HA ILE 81 -8.943 5.963 28.941 442 HB ILE 81 HB ILE 81 -6.411 6.008 28.934 443 HG12 ILE 81 HG12 ILE 81 -6.634 4.991 31.801 444 HG13 ILE 81 HG13 ILE 81 -6.069 4.021 30.435 445 HG21 ILE 81 HG21 ILE 81 -7.833 7.233 31.321 446 HG22 ILE 81 HG22 ILE 81 -6.355 7.827 30.531 447 HG23 ILE 81 HG23 ILE 81 -7.877 7.830 29.645 448 HD11 ILE 81 HD11 ILE 81 -4.239 5.687 30.047 449 HD12 ILE 81 HD12 ILE 81 -4.751 6.542 31.522 450 HD13 ILE 81 HD13 ILE 81 -4.152 4.879 31.626 451 H SER 82 H SER 82 -9.210 2.795 29.682 452 HA SER 82 HA SER 82 -8.063 1.910 27.083 453 HB2 SER 82 HB2 SER 82 -7.684 0.578 29.242 454 HB3 SER 82 HB3 SER 82 -9.407 0.163 29.186 455 HG SER 82 HG SER 82 -9.027 -0.753 27.105 456 H LYS 83 H LYS 83 -10.570 3.484 28.075 457 HA LYS 83 HA LYS 83 -12.753 3.719 27.889 458 HB2 LYS 83 HB3 LYS 83 -11.953 3.898 25.036 459 HB3 LYS 83 HB2 LYS 83 -13.314 4.654 25.911 460 HG2 LYS 83 HG3 LYS 83 -11.940 6.418 26.044 461 HG3 LYS 83 HG2 LYS 83 -11.368 5.585 27.452 462 HD2 LYS 83 HD2 LYS 83 -9.408 6.150 26.401 463 HD3 LYS 83 HD3 LYS 83 -9.658 4.444 25.986 464 HE2 LYS 83 HE2 LYS 83 -10.579 5.110 23.773 465 HE3 LYS 83 HE3 LYS 83 -10.347 6.814 24.186 466 HZ1 LYS 83 HZ1 LYS 83 -7.952 6.400 24.304 467 HZ2 LYS 83 HZ2 LYS 83 -8.157 4.814 23.958 468 HZ3 LYS 83 HZ3 LYS 83 -8.511 5.947 22.838 469 HA PRO 84 HA PRO 84 -14.994 -0.007 26.686 470 HB2 PRO 84 HB3 PRO 84 -15.932 -0.718 29.146 471 HB3 PRO 84 HB2 PRO 84 -14.217 -0.986 28.726 472 HG2 PRO 84 HG3 PRO 84 -15.402 1.296 30.330 473 HG3 PRO 84 HG2 PRO 84 -13.931 0.331 30.671 474 HD2 PRO 84 HD3 PRO 84 -14.018 2.831 29.306 475 HD3 PRO 84 HD2 PRO 84 -12.650 1.717 29.228 476 H GLY 85 H GLY 85 -15.604 2.471 25.984 477 HA2 GLY 85 HA2 GLY 85 -17.783 3.320 25.248 478 HA3 GLY 85 HA3 GLY 85 -18.402 3.067 26.886 479 H ALA 86 H ALA 86 -15.447 4.078 27.616 480 HA ALA 86 HA ALA 86 -16.238 6.757 28.325 481 HB1 ALA 86 HB1 ALA 86 -14.535 5.372 29.583 482 HB2 ALA 86 HB2 ALA 86 -13.357 5.736 28.306 483 HB3 ALA 86 HB3 ALA 86 -14.033 7.034 29.254 484 H ASP 87 H ASP 87 -15.065 8.764 27.783 485 HA ASP 87 HA ASP 87 -14.001 8.988 25.016 486 HB2 ASP 87 HB3 ASP 87 -16.471 9.326 24.933 487 HB3 ASP 87 HB2 ASP 87 -16.321 10.647 26.090 488 H VAL 88 H VAL 88 -12.486 8.982 27.239 489 HA VAL 88 HA VAL 88 -12.042 11.340 28.671 490 HB VAL 88 HB VAL 88 -9.848 9.386 27.824 491 HG11 VAL 88 HG11 VAL 88 -8.914 9.982 30.073 492 HG12 VAL 88 HG12 VAL 88 -8.953 11.357 28.965 493 HG13 VAL 88 HG13 VAL 88 -10.174 11.213 30.252 494 HG21 VAL 88 HG21 VAL 88 -11.613 8.021 28.725 495 HG22 VAL 88 HG22 VAL 88 -10.412 8.216 29.995 496 HG23 VAL 88 HG23 VAL 88 -11.907 9.179 30.036 497 H LYS 89 H LYS 89 -11.691 13.274 28.178 498 HA LYS 89 HA LYS 89 -9.499 13.919 26.387 499 HB2 LYS 89 HB3 LYS 89 -10.624 15.058 24.879 500 HB3 LYS 89 HB2 LYS 89 -11.532 13.601 24.971 501 HG2 LYS 89 HG2 LYS 89 -12.699 15.760 26.618 502 HG3 LYS 89 HG3 LYS 89 -12.387 16.248 24.957 503 HD2 LYS 89 HD2 LYS 89 -13.561 13.815 24.466 504 HD3 LYS 89 HD3 LYS 89 -14.355 14.264 25.994 505 HE2 LYS 89 HE2 LYS 89 -14.772 16.544 24.733 506 HE3 LYS 89 HE3 LYS 89 -14.322 15.623 23.290 507 HZ1 LYS 89 HZ1 LYS 89 -16.591 15.084 25.118 508 HZ2 LYS 89 HZ2 LYS 89 -16.679 15.440 23.528 509 HZ3 LYS 89 HZ3 LYS 89 -16.096 13.977 24.023 510 H CYS 90 H CYS 90 -9.583 16.388 25.915 511 HA CYS 90 HA CYS 90 -8.458 17.537 28.175 512 HB2 CYS 90 HB3 CYS 90 -7.865 17.914 25.749 513 HB3 CYS 90 HB2 CYS 90 -9.328 18.663 25.497 514 H ASP 91 H ASP 91 -8.865 19.690 28.978 515 HA ASP 91 HA ASP 91 -11.716 20.482 29.327 516 HB2 ASP 91 HB2 ASP 91 -9.561 20.364 31.491 517 HB3 ASP 91 HB3 ASP 91 -11.132 21.128 31.703 518 H ILE 92 H ILE 92 -9.162 21.343 27.778 519 HA ILE 92 HA ILE 92 -9.321 24.282 28.356 520 HB ILE 92 HB ILE 92 -7.172 22.778 26.854 521 HG12 ILE 92 HG12 ILE 92 -7.234 23.719 29.746 522 HG13 ILE 92 HG13 ILE 92 -6.987 22.079 29.147 523 HG21 ILE 92 HG21 ILE 92 -5.959 24.916 26.917 524 HG22 ILE 92 HG22 ILE 92 -7.501 25.061 26.099 525 HG23 ILE 92 HG23 ILE 92 -7.334 25.669 27.768 526 HD11 ILE 92 HD11 ILE 92 -4.862 22.862 29.881 527 HD12 ILE 92 HD12 ILE 92 -4.813 22.856 28.106 528 HD13 ILE 92 HD13 ILE 92 -5.017 24.385 28.991 529 H CYS 93 H CYS 93 -8.858 21.866 25.643 530 HA CYS 93 HA CYS 93 -10.413 23.754 23.924 531 HB2 CYS 93 HB2 CYS 93 -9.283 22.767 22.049 532 HB3 CYS 93 HB3 CYS 93 -8.119 23.339 23.246 533 H HIS 94 H HIS 94 -10.647 20.883 25.631 534 HA HIS 94 HA HIS 94 -11.910 19.058 25.651 535 HB2 HIS 94 HB3 HIS 94 -13.562 21.027 25.877 536 HB3 HIS 94 HB2 HIS 94 -14.117 20.571 24.267 537 HD1 HIS 94 HD1 HIS 94 -13.313 18.406 27.433 538 HD2 HIS 94 HD2 HIS 94 -16.341 19.232 24.620 539 HE1 HIS 94 HE1 HIS 94 -15.283 16.895 28.031 540 H TYR 95 H TYR 95 -10.249 19.416 23.110 541 HA TYR 95 HA TYR 95 -11.693 17.746 21.177 542 HB2 TYR 95 HB2 TYR 95 -8.810 18.678 21.354 543 HB3 TYR 95 HB3 TYR 95 -9.313 17.400 20.260 544 HD1 TYR 95 HD1 TYR 95 -10.234 20.893 21.201 545 HD2 TYR 95 HD2 TYR 95 -9.945 17.913 18.139 546 HE1 TYR 95 HE1 TYR 95 -10.997 22.579 19.555 547 HE2 TYR 95 HE2 TYR 95 -10.715 19.592 16.430 548 HH TYR 95 HH TYR 95 -11.390 21.755 16.060 549 HA PRO 96 HA PRO 96 -10.753 13.879 23.228 550 HB2 PRO 96 HB3 PRO 96 -10.512 12.745 20.468 551 HB3 PRO 96 HB2 PRO 96 -11.462 12.146 21.878 552 HG2 PRO 96 HG3 PRO 96 -12.710 13.467 19.864 553 HG3 PRO 96 HG2 PRO 96 -13.131 13.811 21.581 554 HD2 PRO 96 HD3 PRO 96 -11.214 15.297 19.817 555 HD3 PRO 96 HD2 PRO 96 -12.577 15.973 20.749 556 H ILE 97 H ILE 97 -9.110 13.089 24.095 557 HA ILE 97 HA ILE 97 -6.464 14.017 23.227 558 HB ILE 97 HB ILE 97 -7.656 12.892 25.716 559 HG12 ILE 97 HG12 ILE 97 -7.801 15.386 24.883 560 HG13 ILE 97 HG13 ILE 97 -7.561 15.106 26.570 561 HG21 ILE 97 HG21 ILE 97 -5.748 11.736 25.906 562 HG22 ILE 97 HG22 ILE 97 -4.740 13.040 25.295 563 HG23 ILE 97 HG23 ILE 97 -5.519 13.190 26.884 564 HD11 ILE 97 HD11 ILE 97 -5.145 15.466 26.334 565 HD12 ILE 97 HD12 ILE 97 -5.405 15.655 24.579 566 HD13 ILE 97 HD13 ILE 97 -6.109 16.820 25.719 567 H GLN 98 H GLN 98 -4.996 12.830 22.317 568 HA GLN 98 HA GLN 98 -5.246 9.831 22.415 569 HB2 GLN 98 HB2 GLN 98 -4.396 9.613 20.245 570 HB3 GLN 98 HB3 GLN 98 -5.757 10.727 20.186 571 HG2 GLN 98 HG3 GLN 98 -4.168 12.644 20.028 572 HG3 GLN 98 HG2 GLN 98 -2.807 11.517 20.081 573 HE21 GLN 98 HE22 GLN 98 -2.614 9.890 18.278 574 HE22 GLN 98 HE21 GLN 98 -3.276 10.362 16.715 575 H PHE 99 H PHE 99 -3.589 8.648 23.067 576 HA PHE 99 HA PHE 99 -0.917 9.846 23.433 577 HB2 PHE 99 HB2 PHE 99 -1.012 8.212 25.536 578 HB3 PHE 99 HB3 PHE 99 -1.568 9.874 25.600 579 HD1 PHE 99 HD2 PHE 99 -2.806 6.352 25.092 580 HD2 PHE 99 HD1 PHE 99 -3.726 10.360 26.393 581 HE1 PHE 99 HE2 PHE 99 -5.037 5.588 25.885 582 HE2 PHE 99 HE1 PHE 99 -5.951 9.597 27.175 583 HZ PHE 99 HZ PHE 99 -6.618 7.215 26.910 584 H LYS 100 H LYS 100 -1.801 8.627 21.292 585 HA LYS 100 HA LYS 100 0.068 6.401 20.802 586 HB2 LYS 100 HB3 LYS 100 -2.966 6.346 20.666 587 HB3 LYS 100 HB2 LYS 100 -2.011 5.252 19.651 588 HG2 LYS 100 HG2 LYS 100 -2.159 5.264 22.690 589 HG3 LYS 100 HG3 LYS 100 -2.859 4.090 21.588 590 HD2 LYS 100 HD2 LYS 100 -0.575 3.426 20.830 591 HD3 LYS 100 HD3 LYS 100 0.125 4.556 22.014 592 HE2 LYS 100 HE2 LYS 100 -1.026 3.360 23.850 593 HE3 LYS 100 HE3 LYS 100 -1.722 2.227 22.684 594 HZ1 LYS 100 HZ1 LYS 100 0.282 1.318 23.713 595 HZ2 LYS 100 HZ2 LYS 100 0.545 1.524 22.117 596 HZ3 LYS 100 HZ3 LYS 100 1.187 2.572 23.195 597 H THR 101 H THR 101 0.284 6.011 18.519 598 HA THR 101 HA THR 101 -0.768 8.029 16.600 599 HB THR 101 HB THR 101 2.189 7.340 16.817 600 HG1 THR 101 HG1 THR 101 1.611 8.731 18.454 601 HG21 THR 101 HG21 THR 101 0.671 9.318 15.052 602 HG22 THR 101 HG22 THR 101 2.441 9.197 15.178 603 HG23 THR 101 HG23 THR 101 1.514 7.852 14.504 Start of MODEL 19 1 H1 VAL 19 H1 VAL 19 2.777 21.628 37.703 2 H2 VAL 19 H2 VAL 19 1.471 22.027 36.814 3 H3 VAL 19 H3 VAL 19 1.693 22.689 38.308 4 HA VAL 19 HA VAL 19 3.399 23.129 35.944 5 HB VAL 19 HB VAL 19 2.691 25.490 36.046 6 HG11 VAL 19 HG11 VAL 19 0.592 25.186 34.891 7 HG12 VAL 19 HG12 VAL 19 1.702 23.887 34.436 8 HG13 VAL 19 HG13 VAL 19 0.374 23.569 35.578 9 HG21 VAL 19 HG21 VAL 19 0.661 26.175 37.180 10 HG22 VAL 19 HG22 VAL 19 0.444 24.574 37.901 11 HG23 VAL 19 HG23 VAL 19 1.820 25.601 38.382 12 H ALA 20 H ALA 20 5.076 24.806 36.210 13 HA ALA 20 HA ALA 20 6.465 24.479 38.788 14 HB1 ALA 20 HB1 ALA 20 7.627 24.131 36.620 15 HB2 ALA 20 HB2 ALA 20 7.280 25.816 36.166 16 HB3 ALA 20 HB3 ALA 20 8.345 25.461 37.542 17 H ASN 21 H ASN 21 7.500 26.378 39.807 18 HA ASN 21 HA ASN 21 5.820 28.866 39.686 19 HB2 ASN 21 HB3 ASN 21 7.157 27.515 42.064 20 HB3 ASN 21 HB2 ASN 21 6.339 29.071 42.119 21 HD21 ASN 21 HD22 ASN 21 5.847 25.829 42.745 22 HD22 ASN 21 HD21 ASN 21 4.096 25.831 42.607 23 H GLU 22 H GLU 22 8.960 27.757 39.069 24 HA GLU 22 HA GLU 22 10.416 30.162 39.871 25 HB2 GLU 22 HB2 GLU 22 12.320 29.139 38.816 26 HB3 GLU 22 HB3 GLU 22 11.492 27.967 39.836 27 HG2 GLU 22 HG2 GLU 22 10.403 26.997 37.804 28 HG3 GLU 22 HG3 GLU 22 11.281 28.152 36.800 29 H GLU 23 H GLU 23 11.804 31.384 38.141 30 HA GLU 23 HA GLU 23 10.652 31.701 35.529 31 HB2 GLU 23 HB2 GLU 23 10.222 34.069 35.780 32 HB3 GLU 23 HB3 GLU 23 9.218 33.131 36.885 33 HG2 GLU 23 HG2 GLU 23 10.757 33.718 38.766 34 HG3 GLU 23 HG3 GLU 23 11.722 34.691 37.653 35 H THR 24 H THR 24 12.025 32.788 34.202 36 HA THR 24 HA THR 24 14.636 33.851 34.935 37 HB THR 24 HB THR 24 15.007 31.420 35.174 38 HG1 THR 24 HG1 THR 24 16.836 31.352 33.933 39 HG21 THR 24 HG21 THR 24 13.406 30.561 33.504 40 HG22 THR 24 HG22 THR 24 14.409 31.224 32.195 41 HG23 THR 24 HG23 THR 24 15.040 29.934 33.241 42 H ASP 25 H ASP 25 15.969 33.966 32.672 43 HA ASP 25 HA ASP 25 14.495 35.750 30.954 44 HB2 ASP 25 HB3 ASP 25 16.920 35.918 31.320 45 HB3 ASP 25 HB2 ASP 25 17.164 34.342 30.557 46 H THR 26 H THR 26 13.505 35.437 29.006 47 HA THR 26 HA THR 26 13.544 32.802 27.641 48 HB THR 26 HB THR 26 10.916 34.113 28.460 49 HG1 THR 26 HG1 THR 26 11.945 33.230 30.276 50 HG21 THR 26 HG21 THR 26 9.963 31.883 27.853 51 HG22 THR 26 HG22 THR 26 10.677 32.707 26.467 52 HG23 THR 26 HG23 THR 26 11.562 31.382 27.258 53 H ALA 27 H ALA 27 13.137 32.944 25.449 54 HA ALA 27 HA ALA 27 13.330 35.505 24.135 55 HB1 ALA 27 HB1 ALA 27 13.389 34.098 22.120 56 HB2 ALA 27 HB2 ALA 27 14.420 33.398 23.372 57 HB3 ALA 27 HB3 ALA 27 12.818 32.696 23.050 58 H THR 28 H THR 28 11.811 35.472 21.980 59 HA THR 28 HA THR 28 8.941 35.159 22.657 60 HB THR 28 HB THR 28 8.411 37.419 21.739 61 HG1 THR 28 HG1 THR 28 11.153 37.936 22.258 62 HG21 THR 28 HG21 THR 28 8.368 37.007 24.176 63 HG22 THR 28 HG22 THR 28 10.068 37.512 24.293 64 HG23 THR 28 HG23 THR 28 8.825 38.671 23.775 65 H PHE 29 H PHE 29 7.647 34.715 20.955 66 HA PHE 29 HA PHE 29 8.420 35.033 18.177 67 HB2 PHE 29 HB2 PHE 29 8.422 32.680 17.689 68 HB3 PHE 29 HB3 PHE 29 9.670 33.002 18.874 69 HD1 PHE 29 HD2 PHE 29 9.339 32.278 21.281 70 HD2 PHE 29 HD1 PHE 29 6.601 31.172 18.140 71 HE1 PHE 29 HE2 PHE 29 8.348 30.538 22.752 72 HE2 PHE 29 HE1 PHE 29 5.590 29.463 19.617 73 HZ PHE 29 HZ PHE 29 6.462 29.139 21.931 74 H ASN 30 H ASN 30 6.688 34.309 16.738 75 HA ASN 30 HA ASN 30 3.995 33.894 17.959 76 HB2 ASN 30 HB2 ASN 30 4.375 36.328 17.586 77 HB3 ASN 30 HB3 ASN 30 4.642 36.001 15.871 78 HD21 ASN 30 HD22 ASN 30 2.818 37.340 15.328 79 HD22 ASN 30 HD21 ASN 30 1.177 36.764 15.607 80 H ASP 31 H ASP 31 4.907 31.759 17.233 81 HA ASP 31 HA ASP 31 3.739 31.076 14.589 82 HB2 ASP 31 HB2 ASP 31 6.179 31.568 14.259 83 HB3 ASP 31 HB3 ASP 31 6.560 30.241 15.358 84 H ASP 32 H ASP 32 2.979 29.133 14.322 85 HA ASP 32 HA ASP 32 2.103 27.502 16.526 86 HB2 ASP 32 HB3 ASP 32 0.877 28.187 14.428 87 HB3 ASP 32 HB2 ASP 32 1.942 27.116 13.518 88 H ALA 33 H ALA 33 4.992 27.450 16.066 89 HA ALA 33 HA ALA 33 5.588 24.655 16.389 90 HB1 ALA 33 HB1 ALA 33 5.319 24.518 13.954 91 HB2 ALA 33 HB2 ALA 33 6.495 25.834 13.729 92 HB3 ALA 33 HB3 ALA 33 7.017 24.277 14.404 93 HA PRO 34 HA PRO 34 8.790 27.454 18.238 94 HB2 PRO 34 HB3 PRO 34 8.567 25.473 20.431 95 HB3 PRO 34 HB2 PRO 34 8.566 27.240 20.530 96 HG2 PRO 34 HG3 PRO 34 6.284 25.685 20.925 97 HG3 PRO 34 HG2 PRO 34 6.207 27.273 20.192 98 HD2 PRO 34 HD3 PRO 34 6.233 24.594 18.831 99 HD3 PRO 34 HD2 PRO 34 5.249 26.036 18.446 100 H SER 35 H SER 35 10.999 26.904 18.441 101 HA SER 35 HA SER 35 11.748 24.122 17.770 102 HB2 SER 35 HB2 SER 35 13.463 26.642 17.830 103 HB3 SER 35 HB3 SER 35 13.989 25.047 17.254 104 HG SER 35 HG SER 35 13.338 26.419 15.530 105 H GLY 36 H GLY 36 10.959 25.294 20.488 106 HA2 GLY 36 HA3 GLY 36 12.603 23.548 22.118 107 HA3 GLY 36 HA2 GLY 36 12.938 25.264 22.405 108 H ALA 37 H ALA 37 9.828 23.599 21.631 109 HA ALA 37 HA ALA 37 8.294 25.122 23.463 110 HB1 ALA 37 HB1 ALA 37 6.537 23.502 22.875 111 HB2 ALA 37 HB2 ALA 37 7.434 23.956 21.429 112 HB3 ALA 37 HB3 ALA 37 7.749 22.389 22.207 113 H THR 38 H THR 38 6.874 24.069 25.132 114 HA THR 38 HA THR 38 8.272 22.068 26.787 115 HB THR 38 HB THR 38 8.056 23.297 28.828 116 HG1 THR 38 HG1 THR 38 7.206 25.534 27.326 117 HG21 THR 38 HG21 THR 38 9.748 24.957 28.581 118 HG22 THR 38 HG22 THR 38 10.098 23.662 27.419 119 HG23 THR 38 HG23 THR 38 9.390 25.178 26.851 120 H CYS 39 H CYS 39 7.059 21.119 28.475 121 HA CYS 39 HA CYS 39 4.438 20.271 27.751 122 HB2 CYS 39 HB3 CYS 39 5.903 18.878 28.941 123 HB3 CYS 39 HB2 CYS 39 6.226 19.981 30.194 124 H ARG 40 H ARG 40 2.458 20.941 28.253 125 HA ARG 40 HA ARG 40 1.990 23.434 29.694 126 HB2 ARG 40 HB2 ARG 40 -0.204 23.311 28.992 127 HB3 ARG 40 HB3 ARG 40 0.746 22.637 27.680 128 HG2 ARG 40 HG2 ARG 40 -0.438 20.799 27.634 129 HG3 ARG 40 HG3 ARG 40 -0.070 20.416 29.304 130 HD2 ARG 40 HD2 ARG 40 -2.162 20.922 29.971 131 HD3 ARG 40 HD3 ARG 40 -2.126 22.495 29.203 132 HE ARG 40 HE ARG 40 -2.770 21.477 27.075 133 HH11 ARG 40 HH12 ARG 40 -3.464 19.532 29.913 134 HH12 ARG 40 HH11 ARG 40 -4.779 18.696 29.137 135 HH21 ARG 40 HH22 ARG 40 -4.541 20.427 26.181 136 HH22 ARG 40 HH21 ARG 40 -5.395 19.238 27.108 137 H ILE 41 H ILE 41 2.562 20.416 30.879 138 HA ILE 41 HA ILE 41 0.867 20.828 33.325 139 HB ILE 41 HB ILE 41 2.260 18.340 32.296 140 HG12 ILE 41 HG12 ILE 41 -0.683 18.880 32.869 141 HG13 ILE 41 HG13 ILE 41 0.023 19.075 31.271 142 HG21 ILE 41 HG21 ILE 41 0.749 18.725 34.917 143 HG22 ILE 41 HG22 ILE 41 1.319 17.170 34.280 144 HG23 ILE 41 HG23 ILE 41 2.485 18.378 34.748 145 HD11 ILE 41 HD11 ILE 41 0.002 16.415 32.758 146 HD12 ILE 41 HD12 ILE 41 -1.154 16.932 31.527 147 HD13 ILE 41 HD13 ILE 41 0.549 16.728 31.097 148 H CYS 42 H CYS 42 4.338 20.278 32.253 149 HA CYS 42 HA CYS 42 5.015 21.411 34.980 150 HB2 CYS 42 HB2 CYS 42 6.705 19.794 35.287 151 HB3 CYS 42 HB3 CYS 42 5.177 18.975 34.926 152 H ARG 43 H ARG 43 5.263 22.371 31.890 153 HA ARG 43 HA ARG 43 6.626 23.706 30.723 154 HB2 ARG 43 HB2 ARG 43 6.615 24.794 33.502 155 HB3 ARG 43 HB3 ARG 43 7.863 25.439 32.453 156 HG2 ARG 43 HG3 ARG 43 6.007 26.867 32.194 157 HG3 ARG 43 HG2 ARG 43 6.164 25.930 30.707 158 HD2 ARG 43 HD3 ARG 43 4.315 24.405 31.607 159 HD3 ARG 43 HD2 ARG 43 4.132 25.535 32.938 160 HE ARG 43 HE ARG 43 3.119 27.077 31.516 161 HH11 ARG 43 HH12 ARG 43 4.342 24.466 29.473 162 HH12 ARG 43 HH11 ARG 43 3.640 25.189 28.044 163 HH21 ARG 43 HH22 ARG 43 2.202 27.833 29.632 164 HH22 ARG 43 HH21 ARG 43 2.416 26.919 28.151 165 H GLY 44 H GLY 44 7.774 21.173 31.329 166 HA2 GLY 44 HA2 GLY 44 10.707 21.725 31.309 167 HA3 GLY 44 HA3 GLY 44 9.945 20.137 31.343 168 H GLU 45 H GLU 45 11.946 21.502 29.481 169 HA GLU 45 HA GLU 45 10.710 21.761 26.848 170 HB2 GLU 45 HB2 GLU 45 13.592 21.314 27.734 171 HB3 GLU 45 HB3 GLU 45 13.100 21.721 26.093 172 HG2 GLU 45 HG2 GLU 45 12.290 23.898 26.783 173 HG3 GLU 45 HG3 GLU 45 12.597 23.533 28.485 174 H ALA 46 H ALA 46 11.214 20.510 25.023 175 HA ALA 46 HA ALA 46 10.697 17.785 25.050 176 HB1 ALA 46 HB1 ALA 46 11.754 17.975 22.702 177 HB2 ALA 46 HB2 ALA 46 10.419 19.070 23.060 178 HB3 ALA 46 HB3 ALA 46 12.102 19.656 23.097 179 H THR 47 H THR 47 11.858 15.958 25.096 180 HA THR 47 HA THR 47 14.819 15.994 25.512 181 HB THR 47 HB THR 47 14.633 14.118 26.918 182 HG1 THR 47 HG1 THR 47 12.600 13.177 27.372 183 HG21 THR 47 HG21 THR 47 13.285 14.816 28.763 184 HG22 THR 47 HG22 THR 47 13.928 16.281 27.984 185 HG23 THR 47 HG23 THR 47 12.234 15.792 27.714 186 H GLU 48 H GLU 48 14.731 12.954 25.251 187 HA GLU 48 HA GLU 48 14.575 12.757 22.294 188 HB2 GLU 48 HB3 GLU 48 16.242 11.344 24.393 189 HB3 GLU 48 HB2 GLU 48 16.216 10.876 22.683 190 HG2 GLU 48 HG2 GLU 48 17.052 13.147 22.056 191 HG3 GLU 48 HG3 GLU 48 17.182 13.562 23.766 192 H ASP 49 H ASP 49 13.083 11.953 25.086 193 HA ASP 49 HA ASP 49 11.747 9.462 24.038 194 HB2 ASP 49 HB3 ASP 49 13.344 9.010 25.911 195 HB3 ASP 49 HB2 ASP 49 12.422 10.113 26.932 196 H ASN 50 H ASN 50 11.449 12.652 25.292 197 HA ASN 50 HA ASN 50 8.576 12.724 24.896 198 HB2 ASN 50 HB3 ASN 50 10.073 13.389 27.463 199 HB3 ASN 50 HB2 ASN 50 8.606 14.222 27.002 200 HD21 ASN 50 HD22 ASN 50 9.140 12.673 29.294 201 HD22 ASN 50 HD21 ASN 50 7.923 11.416 29.263 202 HA PRO 51 HA PRO 51 11.302 15.941 22.693 203 HB2 PRO 51 HB3 PRO 51 10.368 15.405 20.232 204 HB3 PRO 51 HB2 PRO 51 11.436 14.285 21.157 205 HG2 PRO 51 HG3 PRO 51 8.393 14.179 21.056 206 HG3 PRO 51 HG2 PRO 51 9.507 12.896 20.524 207 HD2 PRO 51 HD3 PRO 51 8.668 12.766 22.927 208 HD3 PRO 51 HD2 PRO 51 10.409 12.543 22.646 209 H LEU 52 H LEU 52 8.499 15.720 23.381 210 HA LEU 52 HA LEU 52 6.390 16.474 23.641 211 HB2 LEU 52 HB2 LEU 52 7.562 19.079 22.736 212 HB3 LEU 52 HB3 LEU 52 5.973 18.869 23.444 213 HG LEU 52 HG LEU 52 8.340 17.811 24.990 214 HD11 LEU 52 HD11 LEU 52 8.928 20.043 24.301 215 HD12 LEU 52 HD12 LEU 52 7.394 20.667 24.986 216 HD13 LEU 52 HD13 LEU 52 8.641 19.923 26.045 217 HD21 LEU 52 HD21 LEU 52 6.254 17.296 25.907 218 HD22 LEU 52 HD22 LEU 52 6.923 18.592 26.898 219 HD23 LEU 52 HD23 LEU 52 5.643 18.974 25.739 220 H PHE 53 H PHE 53 4.502 16.678 22.781 221 HA PHE 53 HA PHE 53 4.120 16.927 19.862 222 HB2 PHE 53 HB2 PHE 53 3.163 14.802 19.626 223 HB3 PHE 53 HB3 PHE 53 4.632 14.482 20.527 224 HD1 PHE 53 HD1 PHE 53 4.265 14.534 23.245 225 HD2 PHE 53 HD2 PHE 53 1.188 13.771 20.316 226 HE1 PHE 53 HE1 PHE 53 2.788 13.664 25.018 227 HE2 PHE 53 HE2 PHE 53 -0.240 12.810 22.088 228 HZ PHE 53 HZ PHE 53 0.521 12.826 24.462 229 H HIS 54 H HIS 54 1.609 16.499 19.530 230 HA HIS 54 HA HIS 54 0.090 18.000 21.613 231 HB2 HIS 54 HB2 HIS 54 -1.179 18.933 19.613 232 HB3 HIS 54 HB3 HIS 54 0.418 19.559 19.978 233 HD1 HIS 54 HD1 HIS 54 -0.660 16.594 17.694 234 HD2 HIS 54 HD2 HIS 54 1.754 20.031 17.823 235 HE1 HIS 54 HE1 HIS 54 0.555 16.698 15.441 236 HA PRO 55 HA PRO 55 -2.218 14.059 21.106 237 HB2 PRO 55 HB3 PRO 55 -3.505 14.020 23.560 238 HB3 PRO 55 HB2 PRO 55 -1.845 13.720 23.497 239 HG2 PRO 55 HG3 PRO 55 -3.190 16.452 23.815 240 HG3 PRO 55 HG2 PRO 55 -2.160 15.702 24.955 241 HD2 PRO 55 HD3 PRO 55 -1.144 17.451 23.188 242 HD3 PRO 55 HD2 PRO 55 -0.220 15.935 23.440 243 H CYS 56 H CYS 56 -3.123 17.280 21.694 244 HA CYS 56 HA CYS 56 -5.953 16.944 20.985 245 HB2 CYS 56 HB3 CYS 56 -5.116 17.190 23.382 246 HB3 CYS 56 HB2 CYS 56 -4.973 18.923 22.928 247 H LYS 57 H LYS 57 -6.684 19.593 20.959 248 HA LYS 57 HA LYS 57 -4.910 21.043 19.027 249 HB2 LYS 57 HB2 LYS 57 -7.886 20.688 19.012 250 HB3 LYS 57 HB3 LYS 57 -7.056 21.775 17.892 251 HG2 LYS 57 HG2 LYS 57 -6.522 18.807 18.061 252 HG3 LYS 57 HG3 LYS 57 -7.563 19.580 16.840 253 HD2 LYS 57 HD2 LYS 57 -5.487 20.989 16.273 254 HD3 LYS 57 HD3 LYS 57 -4.552 19.814 17.206 255 HE2 LYS 57 HE2 LYS 57 -5.437 17.968 15.802 256 HE3 LYS 57 HE3 LYS 57 -6.346 19.138 14.836 257 HZ1 LYS 57 HZ1 LYS 57 -4.236 18.568 13.781 258 HZ2 LYS 57 HZ2 LYS 57 -4.225 20.148 14.182 259 HZ3 LYS 57 HZ3 LYS 57 -3.383 19.068 15.078 260 H CYS 58 H CYS 58 -5.109 21.363 21.877 261 HA CYS 58 HA CYS 58 -6.384 23.652 22.671 262 HB2 CYS 58 HB2 CYS 58 -3.649 23.103 23.699 263 HB3 CYS 58 HB3 CYS 58 -5.131 23.627 24.511 264 H ARG 59 H ARG 59 -4.116 23.633 20.159 265 HA ARG 59 HA ARG 59 -2.731 25.152 19.223 266 HB2 ARG 59 HB2 ARG 59 -5.242 25.079 18.432 267 HB3 ARG 59 HB3 ARG 59 -5.270 26.736 19.001 268 HG2 ARG 59 HG3 ARG 59 -4.707 26.904 16.710 269 HG3 ARG 59 HG2 ARG 59 -3.136 27.066 17.513 270 HD2 ARG 59 HD3 ARG 59 -2.737 24.611 17.140 271 HD3 ARG 59 HD2 ARG 59 -4.294 24.481 16.332 272 HE ARG 59 HE ARG 59 -1.782 25.554 15.281 273 HH11 ARG 59 HH12 ARG 59 -5.262 25.661 14.727 274 HH12 ARG 59 HH11 ARG 59 -5.057 25.967 13.025 275 HH21 ARG 59 HH22 ARG 59 -1.616 25.802 13.150 276 HH22 ARG 59 HH21 ARG 59 -3.027 26.089 12.140 277 H GLY 60 H GLY 60 -1.535 25.683 21.090 278 HA2 GLY 60 HA2 GLY 60 -0.800 28.380 21.139 279 HA3 GLY 60 HA3 GLY 60 -1.864 28.117 22.538 280 H SER 61 H SER 61 0.244 28.903 23.541 281 HA SER 61 HA SER 61 2.520 27.211 23.837 282 HB2 SER 61 HB2 SER 61 1.438 29.289 25.780 283 HB3 SER 61 HB3 SER 61 3.104 28.685 25.684 284 HG SER 61 HG SER 61 2.841 30.697 24.599 285 H ILE 62 H ILE 62 -0.423 26.190 24.637 286 HA ILE 62 HA ILE 62 0.429 24.589 26.971 287 HB ILE 62 HB ILE 62 -2.026 24.782 27.720 288 HG12 ILE 62 HG12 ILE 62 -3.183 26.870 27.184 289 HG13 ILE 62 HG13 ILE 62 -1.972 27.326 26.011 290 HG21 ILE 62 HG21 ILE 62 -0.279 27.268 27.881 291 HG22 ILE 62 HG22 ILE 62 -1.572 26.797 29.001 292 HG23 ILE 62 HG23 ILE 62 -0.108 25.811 28.887 293 HD11 ILE 62 HD11 ILE 62 -3.714 24.838 25.792 294 HD12 ILE 62 HD12 ILE 62 -4.102 26.404 25.050 295 HD13 ILE 62 HD13 ILE 62 -2.664 25.518 24.522 296 H LYS 63 H LYS 63 0.081 24.351 23.877 297 HA LYS 63 HA LYS 63 -1.797 22.045 23.691 298 HB2 LYS 63 HB3 LYS 63 -1.912 22.609 21.500 299 HB3 LYS 63 HB2 LYS 63 -1.425 24.122 22.059 300 HG2 LYS 63 HG2 LYS 63 1.032 23.374 21.550 301 HG3 LYS 63 HG3 LYS 63 0.312 21.960 20.770 302 HD2 LYS 63 HD2 LYS 63 -0.940 23.594 19.241 303 HD3 LYS 63 HD3 LYS 63 0.104 24.863 19.935 304 HE2 LYS 63 HE2 LYS 63 2.039 23.145 19.347 305 HE3 LYS 63 HE3 LYS 63 0.848 22.449 18.250 306 HZ1 LYS 63 HZ1 LYS 63 1.820 25.259 18.214 307 HZ2 LYS 63 HZ2 LYS 63 2.195 24.115 17.110 308 HZ3 LYS 63 HZ3 LYS 63 0.682 24.707 17.189 309 H TYR 64 H TYR 64 1.461 22.563 24.260 310 HA TYR 64 HA TYR 64 2.431 19.960 23.237 311 HB2 TYR 64 HB2 TYR 64 3.792 22.402 24.396 312 HB3 TYR 64 HB3 TYR 64 4.639 20.867 24.228 313 HD1 TYR 64 HD2 TYR 64 4.552 19.688 21.916 314 HD2 TYR 64 HD1 TYR 64 3.707 23.876 22.517 315 HE1 TYR 64 HE2 TYR 64 5.041 20.102 19.539 316 HE2 TYR 64 HE1 TYR 64 4.167 24.303 20.119 317 HH TYR 64 HH TYR 64 5.065 21.678 17.837 318 H MET 65 H MET 65 3.253 18.347 24.512 319 HA MET 65 HA MET 65 3.020 18.430 27.470 320 HB2 MET 65 HB2 MET 65 1.216 16.630 25.761 321 HB3 MET 65 HB3 MET 65 1.408 16.521 27.514 322 HG2 MET 65 HG2 MET 65 0.507 18.804 27.738 323 HG3 MET 65 HG3 MET 65 0.244 18.867 25.989 324 HE1 MET 65 HE1 MET 65 -2.347 16.707 29.073 325 HE2 MET 65 HE2 MET 65 -0.609 16.345 28.955 326 HE3 MET 65 HE3 MET 65 -1.156 17.988 29.377 327 H HIS 66 H HIS 66 4.249 16.790 28.438 328 HA HIS 66 HA HIS 66 5.863 15.026 26.677 329 HB2 HIS 66 HB2 HIS 66 5.546 14.972 29.693 330 HB3 HIS 66 HB3 HIS 66 6.744 14.147 28.766 331 HD2 HIS 66 HD2 HIS 66 8.395 16.253 27.236 332 HE1 HIS 66 HE1 HIS 66 8.357 18.723 30.654 333 HE2 HIS 66 HE2 HIS 66 9.613 18.163 28.505 334 H GLU 67 H GLU 67 5.432 12.717 26.438 335 HA GLU 67 HA GLU 67 2.683 11.897 26.528 336 HB2 GLU 67 HB2 GLU 67 4.639 10.885 25.182 337 HB3 GLU 67 HB3 GLU 67 5.038 9.992 26.664 338 HG2 GLU 67 HG2 GLU 67 2.728 9.035 26.669 339 HG3 GLU 67 HG3 GLU 67 2.386 9.891 25.164 340 H SER 68 H SER 68 5.282 11.462 28.811 341 HA SER 68 HA SER 68 4.087 9.723 30.708 342 HB2 SER 68 HB2 SER 68 6.081 11.940 31.303 343 HB3 SER 68 HB3 SER 68 5.842 10.436 32.207 344 HG SER 68 HG SER 68 6.659 9.288 30.432 345 H CYS 69 H CYS 69 4.184 13.312 30.632 346 HA CYS 69 HA CYS 69 2.700 13.817 33.027 347 HB2 CYS 69 HB2 CYS 69 3.166 15.340 30.440 348 HB3 CYS 69 HB3 CYS 69 2.430 16.048 31.901 349 H LEU 70 H LEU 70 1.708 13.563 29.591 350 HA LEU 70 HA LEU 70 -1.057 14.150 29.962 351 HB2 LEU 70 HB3 LEU 70 0.186 13.921 27.797 352 HB3 LEU 70 HB2 LEU 70 0.231 12.262 27.887 353 HG LEU 70 HG LEU 70 -2.196 11.972 27.964 354 HD11 LEU 70 HD11 LEU 70 -2.845 14.182 28.860 355 HD12 LEU 70 HD12 LEU 70 -2.284 14.914 27.311 356 HD13 LEU 70 HD13 LEU 70 -3.659 13.803 27.366 357 HD21 LEU 70 HD21 LEU 70 -2.525 12.400 25.605 358 HD22 LEU 70 HD22 LEU 70 -1.168 13.560 25.622 359 HD23 LEU 70 HD23 LEU 70 -0.891 11.815 25.894 360 H LEU 71 H LEU 71 0.679 11.069 29.851 361 HA LEU 71 HA LEU 71 -1.453 9.400 30.005 362 HB2 LEU 71 HB3 LEU 71 0.860 9.071 29.309 363 HB3 LEU 71 HB2 LEU 71 1.435 9.158 30.965 364 HG LEU 71 HG LEU 71 0.378 7.000 31.406 365 HD11 LEU 71 HD11 LEU 71 -0.478 5.652 29.466 366 HD12 LEU 71 HD12 LEU 71 -1.505 7.053 29.805 367 HD13 LEU 71 HD13 LEU 71 -0.364 7.101 28.439 368 HD21 LEU 71 HD21 LEU 71 1.958 5.720 29.898 369 HD22 LEU 71 HD22 LEU 71 2.158 7.196 28.910 370 HD23 LEU 71 HD23 LEU 71 2.710 7.176 30.586 371 H GLU 72 H GLU 72 -0.002 11.257 32.373 372 HA GLU 72 HA GLU 72 -1.181 9.875 34.780 373 HB2 GLU 72 HB2 GLU 72 0.730 12.229 34.530 374 HB3 GLU 72 HB3 GLU 72 0.099 11.632 36.059 375 HG2 GLU 72 HG2 GLU 72 1.629 9.834 34.142 376 HG3 GLU 72 HG3 GLU 72 2.436 10.861 35.315 377 H TRP 73 H TRP 73 -1.507 12.831 32.864 378 HA TRP 73 HA TRP 73 -3.238 14.353 34.549 379 HB2 TRP 73 HB3 TRP 73 -1.909 14.912 32.465 380 HB3 TRP 73 HB2 TRP 73 -3.163 14.269 31.506 381 HD1 TRP 73 HD1 TRP 73 -3.117 17.031 34.187 382 HE1 TRP 73 HE1 TRP 73 -4.811 18.783 33.452 383 HE3 TRP 73 HE3 TRP 73 -4.785 14.817 29.899 384 HZ2 TRP 73 HZ2 TRP 73 -6.669 19.228 31.256 385 HZ3 TRP 73 HZ3 TRP 73 -6.562 15.887 28.528 386 HH2 TRP 73 HH2 TRP 73 -7.509 18.093 29.188 387 H VAL 74 H VAL 74 -3.974 12.398 31.679 388 HA VAL 74 HA VAL 74 -6.818 12.339 31.844 389 HB VAL 74 HB VAL 74 -6.648 10.379 30.368 390 HG11 VAL 74 HG11 VAL 74 -6.175 12.598 29.371 391 HG12 VAL 74 HG12 VAL 74 -4.448 12.391 29.702 392 HG13 VAL 74 HG13 VAL 74 -5.245 11.307 28.576 393 HG21 VAL 74 HG21 VAL 74 -4.342 9.471 29.781 394 HG22 VAL 74 HG22 VAL 74 -3.730 10.296 31.224 395 HG23 VAL 74 HG23 VAL 74 -4.945 9.017 31.373 396 H ALA 75 H ALA 75 -4.408 10.777 33.710 397 HA ALA 75 HA ALA 75 -6.262 8.689 34.784 398 HB1 ALA 75 HB1 ALA 75 -4.390 7.869 36.058 399 HB2 ALA 75 HB2 ALA 75 -3.887 8.126 34.378 400 HB3 ALA 75 HB3 ALA 75 -3.407 9.279 35.643 401 H SER 76 H SER 76 -4.921 11.817 35.805 402 HA SER 76 HA SER 76 -5.974 11.783 38.517 403 HB2 SER 76 HB2 SER 76 -4.046 13.177 37.672 404 HB3 SER 76 HB3 SER 76 -5.212 14.154 36.758 405 HG SER 76 HG SER 76 -4.693 15.029 38.846 406 H LYS 77 H LYS 77 -7.210 12.556 35.333 407 HA LYS 77 HA LYS 77 -9.621 13.966 36.038 408 HB2 LYS 77 HB3 LYS 77 -8.476 12.548 33.573 409 HB3 LYS 77 HB2 LYS 77 -9.952 13.458 33.535 410 HG2 LYS 77 HG2 LYS 77 -7.411 14.776 34.440 411 HG3 LYS 77 HG3 LYS 77 -7.778 14.586 32.718 412 HD2 LYS 77 HD2 LYS 77 -9.867 15.806 32.993 413 HD3 LYS 77 HD3 LYS 77 -9.572 15.974 34.746 414 HE2 LYS 77 HE2 LYS 77 -7.467 17.219 34.236 415 HE3 LYS 77 HE3 LYS 77 -7.828 17.088 32.509 416 HZ1 LYS 77 HZ1 LYS 77 -8.568 19.228 33.422 417 HZ2 LYS 77 HZ2 LYS 77 -9.863 18.376 32.905 418 HZ3 LYS 77 HZ3 LYS 77 -9.539 18.487 34.503 419 H ASN 78 H ASN 78 -8.943 10.968 36.866 420 HA ASN 78 HA ASN 78 -10.123 9.247 37.627 421 HB2 ASN 78 HB3 ASN 78 -11.971 9.845 38.610 422 HB3 ASN 78 HB2 ASN 78 -11.927 11.370 37.801 423 HD21 ASN 78 HD22 ASN 78 -12.972 11.243 35.457 424 HD22 ASN 78 HD21 ASN 78 -14.529 10.400 35.433 425 H ILE 79 H ILE 79 -9.647 9.658 34.549 426 HA ILE 79 HA ILE 79 -11.420 7.533 33.518 427 HB ILE 79 HB ILE 79 -9.522 9.010 31.733 428 HG12 ILE 79 HG12 ILE 79 -11.949 10.347 33.011 429 HG13 ILE 79 HG13 ILE 79 -10.266 10.861 33.068 430 HG21 ILE 79 HG21 ILE 79 -11.445 8.819 30.185 431 HG22 ILE 79 HG22 ILE 79 -11.043 7.253 30.868 432 HG23 ILE 79 HG23 ILE 79 -12.447 8.157 31.489 433 HD11 ILE 79 HD11 ILE 79 -10.254 11.292 30.642 434 HD12 ILE 79 HD12 ILE 79 -12.013 10.966 30.606 435 HD13 ILE 79 HD13 ILE 79 -11.373 12.309 31.566 436 H ASP 80 H ASP 80 -10.613 5.762 32.342 437 HA ASP 80 HA ASP 80 -7.743 5.031 32.705 438 HB2 ASP 80 HB3 ASP 80 -9.154 4.063 34.505 439 HB3 ASP 80 HB2 ASP 80 -10.117 3.225 33.293 440 H ILE 81 H ILE 81 -6.969 4.901 30.732 441 HA ILE 81 HA ILE 81 -8.448 4.404 28.343 442 HB ILE 81 HB ILE 81 -6.346 4.324 27.207 443 HG12 ILE 81 HG12 ILE 81 -4.938 2.970 28.654 444 HG13 ILE 81 HG13 ILE 81 -4.173 4.459 28.150 445 HG21 ILE 81 HG21 ILE 81 -6.402 6.499 29.325 446 HG22 ILE 81 HG22 ILE 81 -5.471 6.526 27.816 447 HG23 ILE 81 HG23 ILE 81 -7.242 6.466 27.761 448 HD11 ILE 81 HD11 ILE 81 -5.257 3.855 30.926 449 HD12 ILE 81 HD12 ILE 81 -3.571 4.016 30.427 450 HD13 ILE 81 HD13 ILE 81 -4.618 5.443 30.417 451 H SER 82 H SER 82 -7.235 2.165 30.674 452 HA SER 82 HA SER 82 -6.960 -0.059 28.796 453 HB2 SER 82 HB3 SER 82 -5.614 0.330 30.936 454 HB3 SER 82 HB2 SER 82 -7.055 -0.176 31.831 455 HG SER 82 HG SER 82 -6.953 -2.167 30.611 456 H LYS 83 H LYS 83 -9.675 1.455 30.113 457 HA LYS 83 HA LYS 83 -11.309 -1.060 30.173 458 HB2 LYS 83 HB2 LYS 83 -11.629 1.588 31.647 459 HB3 LYS 83 HB3 LYS 83 -12.863 0.329 31.611 460 HG2 LYS 83 HG3 LYS 83 -11.241 -1.286 32.614 461 HG3 LYS 83 HG2 LYS 83 -10.034 0.011 32.712 462 HD2 LYS 83 HD3 LYS 83 -11.580 1.320 34.167 463 HD3 LYS 83 HD2 LYS 83 -12.750 -0.019 34.099 464 HE2 LYS 83 HE2 LYS 83 -11.068 -1.541 35.104 465 HE3 LYS 83 HE3 LYS 83 -9.887 -0.225 35.144 466 HZ1 LYS 83 HZ1 LYS 83 -11.355 0.965 36.676 467 HZ2 LYS 83 HZ2 LYS 83 -12.457 -0.245 36.640 468 HZ3 LYS 83 HZ3 LYS 83 -10.983 -0.499 37.293 469 HA PRO 84 HA PRO 84 -13.641 0.632 26.809 470 HB2 PRO 84 HB3 PRO 84 -15.820 -0.996 26.738 471 HB3 PRO 84 HB2 PRO 84 -14.155 -1.608 26.524 472 HG2 PRO 84 HG3 PRO 84 -15.789 -1.554 29.094 473 HG3 PRO 84 HG2 PRO 84 -14.967 -2.966 28.352 474 HD2 PRO 84 HD3 PRO 84 -13.812 -1.426 30.313 475 HD3 PRO 84 HD2 PRO 84 -12.855 -2.210 29.023 476 H GLY 85 H GLY 85 -13.992 1.889 29.460 477 HA2 GLY 85 HA2 GLY 85 -16.632 3.276 29.077 478 HA3 GLY 85 HA3 GLY 85 -15.866 3.025 30.652 479 H ALA 86 H ALA 86 -13.502 3.663 28.309 480 HA ALA 86 HA ALA 86 -12.686 6.124 29.449 481 HB1 ALA 86 HB1 ALA 86 -11.978 4.870 26.761 482 HB2 ALA 86 HB2 ALA 86 -11.054 6.137 27.595 483 HB3 ALA 86 HB3 ALA 86 -11.190 4.525 28.318 484 H ASP 87 H ASP 87 -12.741 8.218 28.782 485 HA ASP 87 HA ASP 87 -14.190 9.148 26.402 486 HB2 ASP 87 HB3 ASP 87 -15.952 8.757 28.154 487 HB3 ASP 87 HB2 ASP 87 -15.116 9.889 29.214 488 H VAL 88 H VAL 88 -11.543 9.221 26.899 489 HA VAL 88 HA VAL 88 -10.570 11.486 28.337 490 HB VAL 88 HB VAL 88 -9.012 9.982 26.213 491 HG11 VAL 88 HG11 VAL 88 -7.133 10.609 27.583 492 HG12 VAL 88 HG12 VAL 88 -8.064 12.090 27.323 493 HG13 VAL 88 HG13 VAL 88 -8.198 11.252 28.863 494 HG21 VAL 88 HG21 VAL 88 -9.437 9.202 29.130 495 HG22 VAL 88 HG22 VAL 88 -9.938 8.254 27.705 496 HG23 VAL 88 HG23 VAL 88 -8.227 8.511 28.040 497 H LYS 89 H LYS 89 -11.667 13.325 27.612 498 HA LYS 89 HA LYS 89 -10.536 14.600 25.189 499 HB2 LYS 89 HB2 LYS 89 -12.500 13.629 24.435 500 HB3 LYS 89 HB3 LYS 89 -13.401 13.977 25.930 501 HG2 LYS 89 HG2 LYS 89 -13.506 16.357 25.290 502 HG3 LYS 89 HG3 LYS 89 -12.612 15.967 23.799 503 HD2 LYS 89 HD2 LYS 89 -14.383 14.076 23.463 504 HD3 LYS 89 HD3 LYS 89 -15.356 14.917 24.658 505 HE2 LYS 89 HE2 LYS 89 -14.396 16.053 21.993 506 HE3 LYS 89 HE3 LYS 89 -15.978 15.321 22.278 507 HZ1 LYS 89 HZ1 LYS 89 -16.324 17.093 24.010 508 HZ2 LYS 89 HZ2 LYS 89 -14.932 17.806 23.463 509 HZ3 LYS 89 HZ3 LYS 89 -16.221 17.666 22.478 510 H CYS 90 H CYS 90 -10.175 16.634 25.267 511 HA CYS 90 HA CYS 90 -9.532 17.864 27.694 512 HB2 CYS 90 HB2 CYS 90 -8.394 17.863 25.509 513 HB3 CYS 90 HB3 CYS 90 -9.621 18.943 24.861 514 H ASP 91 H ASP 91 -9.832 20.252 27.891 515 HA ASP 91 HA ASP 91 -12.702 21.120 27.930 516 HB2 ASP 91 HB2 ASP 91 -11.740 20.251 30.137 517 HB3 ASP 91 HB3 ASP 91 -10.637 21.608 30.114 518 H ILE 92 H ILE 92 -9.477 21.850 27.016 519 HA ILE 92 HA ILE 92 -9.697 24.745 27.330 520 HB ILE 92 HB ILE 92 -7.699 23.055 25.748 521 HG12 ILE 92 HG12 ILE 92 -7.513 24.346 28.515 522 HG13 ILE 92 HG13 ILE 92 -7.622 22.621 28.175 523 HG21 ILE 92 HG21 ILE 92 -7.755 25.247 24.757 524 HG22 ILE 92 HG22 ILE 92 -7.682 26.035 26.360 525 HG23 ILE 92 HG23 ILE 92 -6.297 25.135 25.714 526 HD11 ILE 92 HD11 ILE 92 -5.414 22.777 26.952 527 HD12 ILE 92 HD12 ILE 92 -5.262 24.432 27.600 528 HD13 ILE 92 HD13 ILE 92 -5.356 23.056 28.704 529 H CYS 93 H CYS 93 -9.216 22.648 24.550 530 HA CYS 93 HA CYS 93 -10.606 24.319 22.590 531 HB2 CYS 93 HB3 CYS 93 -9.130 22.850 21.124 532 HB3 CYS 93 HB2 CYS 93 -8.269 23.702 22.322 533 H HIS 94 H HIS 94 -11.069 21.629 24.580 534 HA HIS 94 HA HIS 94 -12.600 20.065 24.910 535 HB2 HIS 94 HB2 HIS 94 -14.258 21.216 22.658 536 HB3 HIS 94 HB3 HIS 94 -14.798 20.164 23.956 537 HD1 HIS 94 HD1 HIS 94 -14.037 23.824 23.286 538 HD2 HIS 94 HD2 HIS 94 -15.048 21.239 26.450 539 HE1 HIS 94 HE1 HIS 94 -14.746 25.318 25.230 540 H TYR 95 H TYR 95 -10.419 19.745 22.687 541 HA TYR 95 HA TYR 95 -11.571 17.771 20.926 542 HB2 TYR 95 HB2 TYR 95 -8.818 18.909 21.362 543 HB3 TYR 95 HB3 TYR 95 -8.942 17.404 20.526 544 HD1 TYR 95 HD2 TYR 95 -10.362 20.859 20.598 545 HD2 TYR 95 HD1 TYR 95 -9.477 17.407 18.197 546 HE1 TYR 95 HE2 TYR 95 -11.090 22.116 18.595 547 HE2 TYR 95 HE1 TYR 95 -10.237 18.642 16.154 548 HH TYR 95 HH TYR 95 -11.055 20.611 15.313 549 HA PRO 96 HA PRO 96 -10.717 13.984 23.229 550 HB2 PRO 96 HB3 PRO 96 -10.210 12.724 20.570 551 HB3 PRO 96 HB2 PRO 96 -11.378 12.248 21.850 552 HG2 PRO 96 HG3 PRO 96 -12.231 13.442 19.555 553 HG3 PRO 96 HG2 PRO 96 -12.941 13.842 21.165 554 HD2 PRO 96 HD3 PRO 96 -10.795 15.332 19.669 555 HD3 PRO 96 HD2 PRO 96 -12.325 15.963 20.360 556 H ILE 97 H ILE 97 -8.918 12.983 23.901 557 HA ILE 97 HA ILE 97 -6.301 14.116 23.056 558 HB ILE 97 HB ILE 97 -7.265 12.474 25.344 559 HG12 ILE 97 HG12 ILE 97 -7.870 15.033 25.124 560 HG13 ILE 97 HG13 ILE 97 -7.370 14.407 26.679 561 HG21 ILE 97 HG21 ILE 97 -5.315 12.570 26.558 562 HG22 ILE 97 HG22 ILE 97 -4.985 11.792 25.020 563 HG23 ILE 97 HG23 ILE 97 -4.482 13.476 25.293 564 HD11 ILE 97 HD11 ILE 97 -5.208 15.419 26.470 565 HD12 ILE 97 HD12 ILE 97 -5.456 15.696 24.735 566 HD13 ILE 97 HD13 ILE 97 -6.398 16.621 25.930 567 H GLN 98 H GLN 98 -4.831 13.013 21.985 568 HA GLN 98 HA GLN 98 -5.110 10.031 21.608 569 HB2 GLN 98 HB3 GLN 98 -4.366 12.117 19.514 570 HB3 GLN 98 HB2 GLN 98 -4.328 10.361 19.290 571 HG2 GLN 98 HG3 GLN 98 -6.784 10.279 19.791 572 HG3 GLN 98 HG2 GLN 98 -6.816 12.043 19.853 573 HE21 GLN 98 HE22 GLN 98 -8.329 10.327 18.006 574 HE22 GLN 98 HE21 GLN 98 -7.777 10.778 16.398 575 H PHE 99 H PHE 99 -3.481 8.957 22.329 576 HA PHE 99 HA PHE 99 -1.019 10.156 23.209 577 HB2 PHE 99 HB2 PHE 99 -1.839 7.232 23.060 578 HB3 PHE 99 HB3 PHE 99 -0.559 7.934 24.042 579 HD1 PHE 99 HD2 PHE 99 -1.074 9.288 26.058 580 HD2 PHE 99 HD1 PHE 99 -4.199 7.445 23.720 581 HE1 PHE 99 HE2 PHE 99 -2.710 9.732 27.876 582 HE2 PHE 99 HE1 PHE 99 -5.835 7.939 25.517 583 HZ PHE 99 HZ PHE 99 -5.097 9.085 27.590 584 H LYS 100 H LYS 100 -1.194 10.577 20.490 585 HA LYS 100 HA LYS 100 1.348 9.522 19.463 586 HB2 LYS 100 HB2 LYS 100 -0.181 7.729 18.820 587 HB3 LYS 100 HB3 LYS 100 -1.368 8.884 18.235 588 HG2 LYS 100 HG2 LYS 100 -0.317 7.821 16.361 589 HG3 LYS 100 HG3 LYS 100 0.120 9.520 16.369 590 HD2 LYS 100 HD2 LYS 100 2.366 8.851 17.411 591 HD3 LYS 100 HD3 LYS 100 1.845 7.170 17.260 592 HE2 LYS 100 HE3 LYS 100 3.133 7.497 15.330 593 HE3 LYS 100 HE2 LYS 100 1.471 7.653 14.760 594 HZ1 LYS 100 HZ1 LYS 100 1.800 10.148 14.968 595 HZ2 LYS 100 HZ2 LYS 100 3.373 9.867 15.309 596 HZ3 LYS 100 HZ3 LYS 100 2.772 9.441 13.857 597 H THR 101 H THR 101 2.315 11.006 18.202 598 HA THR 101 HA THR 101 1.386 13.661 17.819 599 HB THR 101 HB THR 101 3.523 12.308 16.144 600 HG1 THR 101 HG1 THR 101 4.926 12.741 17.839 601 HG21 THR 101 HG21 THR 101 4.621 14.533 16.339 602 HG22 THR 101 HG22 THR 101 3.043 14.649 15.550 603 HG23 THR 101 HG23 THR 101 3.218 15.141 17.246
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