NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
3042 | 1d1r | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA LYS 29 HA LYS 29 -8.786 18.986 5.283 2 1HB LYS 29 HB2 LYS 29 -7.557 20.766 3.494 3 2HB LYS 29 HB1 LYS 29 -8.137 19.438 2.487 4 1HG LYS 29 HG2 LYS 29 -10.374 19.726 3.186 5 2HG LYS 29 HG1 LYS 29 -9.903 20.679 4.594 6 1HD LYS 29 HD2 LYS 29 -9.309 22.559 3.240 7 2HD LYS 29 HD1 LYS 29 -9.398 21.606 1.759 8 1HE LYS 29 HE2 LYS 29 -11.770 21.441 1.883 9 2HE LYS 29 HE1 LYS 29 -11.796 22.004 3.554 10 1HZ LYS 29 HZ1 LYS 29 -12.340 23.910 2.456 11 2HZ LYS 29 HZ2 LYS 29 -11.418 23.530 1.080 12 3HZ LYS 29 HZ3 LYS 29 -10.653 24.081 2.493 13 H GLY 30 HN GLY 30 -7.730 16.741 5.816 14 1HA GLY 30 HA2 GLY 30 -8.338 14.979 3.591 15 2HA GLY 30 HA1 GLY 30 -6.611 15.011 3.951 16 H ASP 31 HN ASP 31 -6.230 14.872 6.494 17 HA ASP 31 HA ASP 31 -6.409 13.558 8.432 18 1HB ASP 31 HB2 ASP 31 -9.047 14.272 7.759 19 2HB ASP 31 HB1 ASP 31 -9.095 12.534 8.059 20 H GLY 32 HN GLY 32 -4.946 12.145 7.040 21 1HA GLY 32 HA2 GLY 32 -5.167 9.495 7.346 22 2HA GLY 32 HA1 GLY 32 -6.263 9.715 5.981 23 H VAL 33 HN VAL 33 -3.242 8.749 6.594 24 HA VAL 33 HA VAL 33 -2.257 9.777 3.970 25 HB VAL 33 HB VAL 33 -0.009 10.026 4.894 26 1HG1 VAL 33 HG11 VAL 33 -0.409 12.076 5.844 27 2HG1 VAL 33 HG12 VAL 33 -1.605 11.435 6.971 28 3HG1 VAL 33 HG13 VAL 33 -2.052 11.746 5.293 29 1HG2 VAL 33 HG21 VAL 33 -0.059 9.922 7.571 30 2HG2 VAL 33 HG22 VAL 33 0.307 8.497 6.598 31 3HG2 VAL 33 HG23 VAL 33 -1.317 8.728 7.246 32 H VAL 34 HN VAL 34 -1.868 8.062 2.662 33 HA VAL 34 HA VAL 34 -1.460 5.394 3.898 34 HB VAL 34 HB VAL 34 -2.027 6.238 1.040 35 1HG1 VAL 34 HG11 VAL 34 -1.771 3.468 2.254 36 2HG1 VAL 34 HG12 VAL 34 -0.635 4.202 1.122 37 3HG1 VAL 34 HG13 VAL 34 -2.275 3.819 0.601 38 1HG2 VAL 34 HG21 VAL 34 -4.004 4.512 2.053 39 2HG2 VAL 34 HG22 VAL 34 -4.161 6.246 1.777 40 3HG2 VAL 34 HG23 VAL 34 -3.670 5.646 3.361 41 H ARG 35 HN ARG 35 0.482 4.318 3.749 42 HA ARG 35 HA ARG 35 2.597 5.538 2.026 43 1HB ARG 35 HB2 ARG 35 4.233 4.976 3.845 44 2HB ARG 35 HB1 ARG 35 3.068 6.215 4.312 45 1HG ARG 35 HG2 ARG 35 1.704 4.533 5.464 46 2HG ARG 35 HG1 ARG 35 2.820 3.263 4.960 47 1HD ARG 35 HD2 ARG 35 4.354 5.330 6.193 48 2HD ARG 35 HD1 ARG 35 2.998 4.956 7.257 49 HE ARG 35 HE ARG 35 3.977 2.467 6.539 50 1HH1 ARG 35 HH21 ARG 35 6.572 4.109 6.320 51 2HH1 ARG 35 HH22 ARG 35 7.241 3.857 7.898 52 1HH2 ARG 35 HH11 ARG 35 4.279 2.673 9.256 53 2HH2 ARG 35 HH12 ARG 35 5.943 3.044 9.560 54 H ILE 36 HN ILE 36 3.420 4.046 0.645 55 HA ILE 36 HA ILE 36 3.063 1.161 1.342 56 HB ILE 36 HB ILE 36 3.529 2.370 -1.399 57 1HG1 ILE 36 HG12 ILE 36 0.954 1.448 -1.394 58 2HG1 ILE 36 HG11 ILE 36 1.092 2.070 0.251 59 1HG2 ILE 36 HG21 ILE 36 3.953 -0.176 -0.646 60 2HG2 ILE 36 HG22 ILE 36 3.298 0.237 -2.231 61 3HG2 ILE 36 HG23 ILE 36 2.215 -0.265 -0.932 62 1HD1 ILE 36 HD11 ILE 36 2.056 3.712 -2.081 63 2HD1 ILE 36 HD12 ILE 36 1.558 4.253 -0.478 64 3HD1 ILE 36 HD13 ILE 36 0.348 3.707 -1.639 65 H GLN 37 HN GLN 37 4.898 0.034 1.770 66 HA GLN 37 HA GLN 37 7.483 1.158 0.764 67 1HB GLN 37 HB2 GLN 37 6.876 1.131 3.355 68 2HB GLN 37 HB1 GLN 37 7.396 -0.549 3.221 69 1HG GLN 37 HG2 GLN 37 9.275 1.069 1.801 70 2HG GLN 37 HG1 GLN 37 9.028 1.789 3.392 71 1HE2 GLN 37 HE21 GLN 37 11.373 0.971 3.695 72 2HE2 GLN 37 HE22 GLN 37 11.575 -0.629 4.225 73 H ARG 38 HN ARG 38 9.172 -0.513 0.409 74 HA ARG 38 HA ARG 38 8.030 -3.227 -0.093 75 1HB ARG 38 HB2 ARG 38 9.565 -3.233 -2.163 76 2HB ARG 38 HB1 ARG 38 8.088 -2.275 -2.269 77 1HG ARG 38 HG2 ARG 38 9.255 -0.236 -1.924 78 2HG ARG 38 HG1 ARG 38 10.700 -1.070 -1.351 79 1HD ARG 38 HD2 ARG 38 10.729 -2.162 -3.713 80 2HD ARG 38 HD1 ARG 38 9.650 -0.842 -4.164 81 HE ARG 38 HE ARG 38 11.939 0.212 -2.792 82 1HH1 ARG 38 HH21 ARG 38 11.350 -1.665 -5.593 83 2HH1 ARG 38 HH22 ARG 38 12.369 -0.714 -6.621 84 1HH2 ARG 38 HH11 ARG 38 13.080 1.644 -4.180 85 2HH2 ARG 38 HH12 ARG 38 13.348 1.160 -5.821 86 H GLN 39 HN GLN 39 9.121 -4.378 1.465 87 HA GLN 39 HA GLN 39 11.961 -3.794 2.007 88 1HB GLN 39 HB2 GLN 39 9.934 -4.644 3.620 89 2HB GLN 39 HB1 GLN 39 10.709 -6.181 3.231 90 1HG GLN 39 HG2 GLN 39 12.742 -4.224 3.777 91 2HG GLN 39 HG1 GLN 39 11.578 -4.230 5.103 92 1HE2 GLN 39 HE21 GLN 39 13.922 -5.197 5.937 93 2HE2 GLN 39 HE22 GLN 39 13.956 -6.894 5.985 94 H THR 40 HN THR 40 12.699 -4.435 -0.174 95 HA THR 40 HA THR 40 12.376 -7.209 -1.019 96 HB THR 40 HB THR 40 14.047 -6.575 -2.772 97 HG1 THR 40 HG1 THR 40 14.719 -4.403 -2.787 98 1HG2 THR 40 HG21 THR 40 12.023 -4.361 -2.557 99 2HG2 THR 40 HG22 THR 40 11.496 -6.028 -2.791 100 3HG2 THR 40 HG23 THR 40 12.538 -5.257 -3.987 101 H SER 41 HN SER 41 14.798 -8.133 -1.747 102 HA SER 41 HA SER 41 16.564 -7.946 0.643 103 1HB SER 41 HB2 SER 41 15.016 -9.918 0.883 104 2HB SER 41 HB1 SER 41 15.702 -10.574 -0.601 105 HG SER 41 HG SER 41 16.671 -11.268 1.463 106 H GLY 42 HN GLY 42 16.596 -7.128 -2.304 107 1HA GLY 42 HA2 GLY 42 19.263 -7.228 -2.906 108 2HA GLY 42 HA1 GLY 42 18.701 -8.804 -3.465 109 H ARG 43 HN ARG 43 19.234 -8.100 -5.660 110 HA ARG 43 HA ARG 43 17.923 -5.812 -6.852 111 1HB ARG 43 HB2 ARG 43 19.176 -8.265 -8.126 112 2HB ARG 43 HB1 ARG 43 18.678 -6.817 -9.001 113 1HG ARG 43 HG2 ARG 43 20.279 -5.459 -7.826 114 2HG ARG 43 HG1 ARG 43 20.649 -6.768 -6.703 115 1HD ARG 43 HD2 ARG 43 21.319 -8.103 -8.833 116 2HD ARG 43 HD1 ARG 43 21.382 -6.524 -9.615 117 HE ARG 43 HE ARG 43 23.455 -7.529 -8.031 118 1HH1 ARG 43 HH21 ARG 43 22.045 -4.635 -8.994 119 2HH1 ARG 43 HH22 ARG 43 22.867 -3.646 -7.833 120 1HH2 ARG 43 HH11 ARG 43 24.229 -6.331 -6.114 121 2HH2 ARG 43 HH12 ARG 43 24.103 -4.606 -6.203 122 H LYS 44 HN LYS 44 17.490 -9.211 -7.856 123 HA LYS 44 HA LYS 44 14.543 -8.816 -7.703 124 1HB LYS 44 HB2 LYS 44 16.185 -9.376 -10.143 125 2HB LYS 44 HB1 LYS 44 14.610 -10.157 -10.002 126 1HG LYS 44 HG2 LYS 44 13.579 -7.925 -9.582 127 2HG LYS 44 HG1 LYS 44 15.156 -7.178 -9.845 128 1HD LYS 44 HD2 LYS 44 15.215 -8.203 -12.122 129 2HD LYS 44 HD1 LYS 44 13.582 -8.813 -11.856 130 1HE LYS 44 HE2 LYS 44 12.798 -6.480 -11.492 131 2HE LYS 44 HE1 LYS 44 14.424 -5.900 -11.852 132 1HZ LYS 44 HZ1 LYS 44 13.521 -7.690 -13.858 133 2HZ LYS 44 HZ2 LYS 44 14.036 -6.078 -14.011 134 3HZ LYS 44 HZ3 LYS 44 12.411 -6.424 -13.658 135 H GLY 45 HN GLY 45 13.845 -10.466 -6.434 136 1HA GLY 45 HA2 GLY 45 14.342 -13.218 -7.109 137 2HA GLY 45 HA1 GLY 45 15.314 -12.753 -5.712 138 H LYS 46 HN LYS 46 13.463 -10.923 -4.537 139 HA LYS 46 HA LYS 46 10.875 -12.177 -4.200 140 1HB LYS 46 HB2 LYS 46 12.142 -13.843 -2.968 141 2HB LYS 46 HB1 LYS 46 12.970 -12.587 -2.048 142 1HG LYS 46 HG2 LYS 46 10.793 -11.866 -1.101 143 2HG LYS 46 HG1 LYS 46 9.994 -13.167 -1.984 144 1HD LYS 46 HD2 LYS 46 11.536 -14.790 -0.803 145 2HD LYS 46 HD1 LYS 46 12.067 -13.443 0.206 146 1HE LYS 46 HE2 LYS 46 9.833 -13.109 1.058 147 2HE LYS 46 HE1 LYS 46 9.169 -14.274 -0.088 148 1HZ LYS 46 HZ1 LYS 46 10.648 -15.958 0.979 149 2HZ LYS 46 HZ2 LYS 46 9.402 -15.375 1.976 150 3HZ LYS 46 HZ3 LYS 46 10.993 -14.816 2.185 151 H GLY 47 HN GLY 47 9.756 -10.286 -4.046 152 1HA GLY 47 HA2 GLY 47 10.777 -8.235 -2.120 153 2HA GLY 47 HA1 GLY 47 9.921 -7.813 -3.604 154 H VAL 48 HN VAL 48 9.192 -7.222 -0.779 155 HA VAL 48 HA VAL 48 6.511 -8.550 -0.794 156 HB VAL 48 HB VAL 48 6.559 -8.351 1.706 157 1HG1 VAL 48 HG11 VAL 48 7.888 -10.213 0.027 158 2HG1 VAL 48 HG12 VAL 48 7.267 -10.487 1.655 159 3HG1 VAL 48 HG13 VAL 48 8.933 -9.956 1.424 160 1HG2 VAL 48 HG21 VAL 48 8.213 -7.218 2.741 161 2HG2 VAL 48 HG22 VAL 48 8.797 -6.731 1.150 162 3HG2 VAL 48 HG23 VAL 48 9.445 -8.178 1.923 163 H CYS 49 HN CYS 49 4.783 -7.199 0.124 164 HA CYS 49 HA CYS 49 5.448 -4.284 0.123 165 1HB CYS 49 HB2 CYS 49 4.002 -5.579 -1.861 166 2HB CYS 49 HB1 CYS 49 2.746 -4.920 -0.813 167 HG CYS 49 HG CYS 49 3.427 -3.032 -2.493 168 H LEU 50 HN LEU 50 4.813 -3.346 2.004 169 HA LEU 50 HA LEU 50 2.645 -4.695 3.565 170 1HB LEU 50 HB2 LEU 50 4.930 -2.980 4.589 171 2HB LEU 50 HB1 LEU 50 3.705 -3.770 5.581 172 HG LEU 50 HG LEU 50 4.872 -5.710 3.809 173 1HD1 LEU 50 HD11 LEU 50 6.720 -3.727 4.953 174 2HD1 LEU 50 HD12 LEU 50 6.992 -4.909 3.672 175 3HD1 LEU 50 HD13 LEU 50 7.125 -5.393 5.363 176 1HD2 LEU 50 HD21 LEU 50 4.565 -6.940 5.679 177 2HD2 LEU 50 HD22 LEU 50 3.938 -5.480 6.444 178 3HD2 LEU 50 HD23 LEU 50 5.644 -5.899 6.608 179 H ILE 51 HN ILE 51 0.805 -3.511 3.748 180 HA ILE 51 HA ILE 51 0.979 -0.582 3.191 181 HB ILE 51 HB ILE 51 -1.572 -2.188 3.220 182 1HG1 ILE 51 HG12 ILE 51 0.170 -3.277 1.730 183 2HG1 ILE 51 HG11 ILE 51 -1.276 -2.721 0.887 184 1HG2 ILE 51 HG21 ILE 51 -2.226 -0.019 2.910 185 2HG2 ILE 51 HG22 ILE 51 -1.758 -0.337 1.240 186 3HG2 ILE 51 HG23 ILE 51 -0.639 0.482 2.330 187 1HD1 ILE 51 HD11 ILE 51 -0.127 -1.164 -0.295 188 2HD1 ILE 51 HD12 ILE 51 1.307 -2.078 0.173 189 3HD1 ILE 51 HD13 ILE 51 0.815 -0.668 1.111 190 H THR 52 HN THR 52 0.848 0.685 4.969 191 HA THR 52 HA THR 52 -1.152 0.139 7.036 192 HB THR 52 HB THR 52 1.661 0.395 8.051 193 HG1 THR 52 HG1 THR 52 2.100 -1.618 7.621 194 1HG2 THR 52 HG21 THR 52 -0.879 0.198 9.191 195 2HG2 THR 52 HG22 THR 52 0.660 -0.005 10.030 196 3HG2 THR 52 HG23 THR 52 -0.188 -1.413 9.389 197 H GLY 53 HN GLY 53 -1.318 1.975 8.549 198 1HA GLY 53 HA2 GLY 53 -0.541 4.225 9.214 199 2HA GLY 53 HA1 GLY 53 0.089 4.426 7.578 200 H VAL 54 HN VAL 54 -2.432 3.092 6.521 201 HA VAL 54 HA VAL 54 -3.885 5.351 5.754 202 HB VAL 54 HB VAL 54 -5.114 2.631 6.287 203 1HG1 VAL 54 HG11 VAL 54 -6.907 3.402 5.146 204 2HG1 VAL 54 HG12 VAL 54 -5.891 4.113 3.892 205 3HG1 VAL 54 HG13 VAL 54 -6.228 5.014 5.370 206 1HG2 VAL 54 HG21 VAL 54 -3.012 3.458 4.442 207 2HG2 VAL 54 HG22 VAL 54 -4.419 2.829 3.585 208 3HG2 VAL 54 HG23 VAL 54 -3.609 1.837 4.798 209 H ASP 55 HN ASP 55 -4.251 6.803 7.475 210 HA ASP 55 HA ASP 55 -5.585 5.912 9.920 211 1HB ASP 55 HB2 ASP 55 -3.931 7.916 9.590 212 2HB ASP 55 HB1 ASP 55 -5.372 8.790 9.070 213 H LEU 56 HN LEU 56 -7.548 4.999 9.027 214 HA LEU 56 HA LEU 56 -9.600 7.073 8.508 215 1HB LEU 56 HB2 LEU 56 -8.911 4.797 6.643 216 2HB LEU 56 HB1 LEU 56 -10.506 5.552 6.638 217 HG LEU 56 HG LEU 56 -7.991 7.206 6.430 218 1HD1 LEU 56 HD11 LEU 56 -8.713 5.270 4.566 219 2HD1 LEU 56 HD12 LEU 56 -7.692 6.674 4.253 220 3HD1 LEU 56 HD13 LEU 56 -9.423 6.750 3.923 221 1HD2 LEU 56 HD21 LEU 56 -10.395 8.035 4.996 222 2HD2 LEU 56 HD22 LEU 56 -9.445 8.922 6.188 223 3HD2 LEU 56 HD23 LEU 56 -10.704 7.806 6.717 224 H ASP 57 HN ASP 57 -11.842 6.029 8.596 225 HA ASP 57 HA ASP 57 -12.301 4.697 10.986 226 1HB ASP 57 HB2 ASP 57 -13.833 5.315 8.642 227 2HB ASP 57 HB1 ASP 57 -14.205 3.663 9.134 228 H ASP 58 HN ASP 58 -12.604 2.477 11.566 229 HA ASP 58 HA ASP 58 -10.723 0.646 10.468 230 1HB ASP 58 HB2 ASP 58 -12.216 0.691 12.732 231 2HB ASP 58 HB1 ASP 58 -13.116 -0.502 11.795 232 H ALA 59 HN ALA 59 -14.292 0.672 10.132 233 HA ALA 59 HA ALA 59 -14.486 -1.488 8.321 234 1HB ALA 59 HB1 ALA 59 -16.659 -0.961 8.562 235 2HB ALA 59 HB2 ALA 59 -16.413 0.480 7.575 236 3HB ALA 59 HB3 ALA 59 -16.211 0.565 9.325 237 H GLU 60 HN GLU 60 -13.837 1.950 7.700 238 HA GLU 60 HA GLU 60 -13.979 1.820 4.851 239 1HB GLU 60 HB2 GLU 60 -13.478 3.800 6.718 240 2HB GLU 60 HB1 GLU 60 -11.927 3.640 5.892 241 1HG GLU 60 HG2 GLU 60 -13.658 3.555 3.777 242 2HG GLU 60 HG1 GLU 60 -14.508 4.648 4.870 243 H LEU 61 HN LEU 61 -11.303 1.211 7.109 244 HA LEU 61 HA LEU 61 -9.225 0.942 5.192 245 1HB LEU 61 HB2 LEU 61 -9.653 0.251 7.992 246 2HB LEU 61 HB1 LEU 61 -8.674 -0.959 7.163 247 HG LEU 61 HG LEU 61 -8.026 1.898 6.625 248 1HD1 LEU 61 HD11 LEU 61 -8.135 0.788 9.301 249 2HD1 LEU 61 HD12 LEU 61 -7.721 2.426 8.795 250 3HD1 LEU 61 HD13 LEU 61 -6.473 1.181 8.861 251 1HD2 LEU 61 HD21 LEU 61 -6.580 0.451 5.519 252 2HD2 LEU 61 HD22 LEU 61 -6.646 -0.759 6.801 253 3HD2 LEU 61 HD23 LEU 61 -5.689 0.707 7.019 254 H THR 62 HN THR 62 -11.539 -1.462 6.439 255 HA THR 62 HA THR 62 -10.478 -3.714 5.051 256 HB THR 62 HB THR 62 -13.434 -3.456 5.426 257 HG1 THR 62 HG1 THR 62 -13.136 -2.803 7.386 258 1HG2 THR 62 HG21 THR 62 -11.304 -5.542 5.599 259 2HG2 THR 62 HG22 THR 62 -12.898 -5.625 4.849 260 3HG2 THR 62 HG23 THR 62 -12.741 -5.744 6.602 261 H LYS 63 HN LYS 63 -12.659 -1.137 4.022 262 HA LYS 63 HA LYS 63 -13.429 -2.409 1.539 263 1HB LYS 63 HB2 LYS 63 -13.435 0.519 2.334 264 2HB LYS 63 HB1 LYS 63 -14.239 -0.150 0.913 265 1HG LYS 63 HG2 LYS 63 -15.653 -1.553 2.336 266 2HG LYS 63 HG1 LYS 63 -14.815 -0.973 3.775 267 1HD LYS 63 HD2 LYS 63 -15.562 1.334 3.271 268 2HD LYS 63 HD1 LYS 63 -16.428 0.734 1.855 269 1HE LYS 63 HE2 LYS 63 -17.832 -0.681 3.284 270 2HE LYS 63 HE1 LYS 63 -16.943 -0.149 4.711 271 1HZ LYS 63 HZ1 LYS 63 -17.630 2.145 4.167 272 2HZ LYS 63 HZ2 LYS 63 -18.939 1.123 4.526 273 3HZ LYS 63 HZ3 LYS 63 -18.598 1.537 2.914 274 H LEU 64 HN LEU 64 -10.810 -0.242 2.509 275 HA LEU 64 HA LEU 64 -9.882 0.367 -0.140 276 1HB LEU 64 HB2 LEU 64 -9.129 1.008 2.505 277 2HB LEU 64 HB1 LEU 64 -7.718 0.244 1.773 278 HG LEU 64 HG LEU 64 -7.793 2.720 1.405 279 1HD1 LEU 64 HD11 LEU 64 -8.141 1.080 -1.123 280 2HD1 LEU 64 HD12 LEU 64 -6.652 1.164 -0.181 281 3HD1 LEU 64 HD13 LEU 64 -7.274 2.609 -0.977 282 1HD2 LEU 64 HD21 LEU 64 -10.500 2.167 0.839 283 2HD2 LEU 64 HD22 LEU 64 -9.783 2.647 -0.699 284 3HD2 LEU 64 HD23 LEU 64 -9.684 3.724 0.695 285 H ALA 65 HN ALA 65 -8.505 -1.916 2.261 286 HA ALA 65 HA ALA 65 -6.697 -3.178 0.485 287 1HB ALA 65 HB1 ALA 65 -7.091 -5.198 2.109 288 2HB ALA 65 HB2 ALA 65 -8.074 -4.046 3.014 289 3HB ALA 65 HB3 ALA 65 -6.363 -3.720 2.738 290 H ALA 66 HN ALA 66 -10.138 -3.750 1.045 291 HA ALA 66 HA ALA 66 -10.308 -6.217 -0.413 292 1HB ALA 66 HB1 ALA 66 -12.781 -5.109 -0.737 293 2HB ALA 66 HB2 ALA 66 -12.191 -4.208 0.660 294 3HB ALA 66 HB3 ALA 66 -12.270 -5.969 0.716 295 H GLU 67 HN GLU 67 -10.435 -2.825 -1.395 296 HA GLU 67 HA GLU 67 -11.346 -3.341 -4.087 297 1HB GLU 67 HB2 GLU 67 -10.575 -1.057 -2.507 298 2HB GLU 67 HB1 GLU 67 -9.769 -0.988 -4.075 299 1HG GLU 67 HG2 GLU 67 -11.961 -1.373 -5.189 300 2HG GLU 67 HG1 GLU 67 -12.745 -1.341 -3.608 301 H LEU 68 HN LEU 68 -8.116 -2.861 -2.650 302 HA LEU 68 HA LEU 68 -6.664 -3.064 -5.110 303 1HB LEU 68 HB2 LEU 68 -5.764 -3.825 -2.314 304 2HB LEU 68 HB1 LEU 68 -4.708 -3.497 -3.688 305 HG LEU 68 HG LEU 68 -6.721 -1.424 -2.897 306 1HD1 LEU 68 HD11 LEU 68 -4.632 -2.436 -1.163 307 2HD1 LEU 68 HD12 LEU 68 -5.835 -1.187 -0.839 308 3HD1 LEU 68 HD13 LEU 68 -4.307 -0.760 -1.608 309 1HD2 LEU 68 HD21 LEU 68 -5.477 -0.131 -4.281 310 2HD2 LEU 68 HD22 LEU 68 -4.719 -1.633 -4.810 311 3HD2 LEU 68 HD23 LEU 68 -3.966 -0.663 -3.544 312 H LYS 69 HN LYS 69 -7.703 -5.509 -2.751 313 HA LYS 69 HA LYS 69 -6.368 -7.695 -4.126 314 1HB LYS 69 HB2 LYS 69 -7.612 -9.131 -2.585 315 2HB LYS 69 HB1 LYS 69 -6.950 -7.754 -1.701 316 1HG LYS 69 HG2 LYS 69 -9.087 -6.609 -1.767 317 2HG LYS 69 HG1 LYS 69 -9.768 -7.855 -2.812 318 1HD LYS 69 HD2 LYS 69 -8.737 -8.343 -0.003 319 2HD LYS 69 HD1 LYS 69 -10.437 -8.141 -0.426 320 1HE LYS 69 HE2 LYS 69 -9.765 -10.051 -2.212 321 2HE LYS 69 HE1 LYS 69 -8.622 -10.442 -0.926 322 1HZ LYS 69 HZ1 LYS 69 -11.556 -10.128 -0.587 323 2HZ LYS 69 HZ2 LYS 69 -10.449 -10.526 0.639 324 3HZ LYS 69 HZ3 LYS 69 -10.725 -11.606 -0.643 325 H LYS 70 HN LYS 70 -8.986 -5.845 -5.001 326 HA LYS 70 HA LYS 70 -10.736 -7.950 -5.992 327 1HB LYS 70 HB2 LYS 70 -11.105 -5.304 -5.482 328 2HB LYS 70 HB1 LYS 70 -10.894 -5.265 -7.232 329 1HG LYS 70 HG2 LYS 70 -12.565 -7.337 -7.123 330 2HG LYS 70 HG1 LYS 70 -13.043 -6.566 -5.610 331 1HD LYS 70 HD2 LYS 70 -13.741 -4.596 -6.686 332 2HD LYS 70 HD1 LYS 70 -12.803 -4.946 -8.138 333 1HE LYS 70 HE2 LYS 70 -14.302 -6.741 -8.754 334 2HE LYS 70 HE1 LYS 70 -15.163 -6.610 -7.221 335 1HZ LYS 70 HZ1 LYS 70 -15.742 -4.306 -7.862 336 2HZ LYS 70 HZ2 LYS 70 -16.409 -5.482 -8.892 337 3HZ LYS 70 HZ3 LYS 70 -15.054 -4.584 -9.387 338 H LYS 71 HN LYS 71 -8.466 -5.661 -7.565 339 HA LYS 71 HA LYS 71 -8.138 -7.678 -9.728 340 1HB LYS 71 HB2 LYS 71 -8.028 -5.262 -11.099 341 2HB LYS 71 HB1 LYS 71 -9.366 -6.408 -11.139 342 1HG LYS 71 HG2 LYS 71 -10.509 -5.242 -9.358 343 2HG LYS 71 HG1 LYS 71 -9.112 -4.204 -9.073 344 1HD LYS 71 HD2 LYS 71 -9.520 -3.734 -11.715 345 2HD LYS 71 HD1 LYS 71 -11.176 -4.055 -11.199 346 1HE LYS 71 HE2 LYS 71 -10.990 -2.354 -9.447 347 2HE LYS 71 HE1 LYS 71 -9.306 -2.063 -9.884 348 1HZ LYS 71 HZ1 LYS 71 -11.432 -1.824 -11.909 349 2HZ LYS 71 HZ2 LYS 71 -9.897 -1.095 -11.876 350 3HZ LYS 71 HZ3 LYS 71 -11.126 -0.541 -10.843 351 H CYS 72 HN CYS 72 -6.172 -7.712 -8.106 352 HA CYS 72 HA CYS 72 -4.105 -5.870 -9.238 353 1HB CYS 72 HB2 CYS 72 -4.685 -6.588 -6.386 354 2HB CYS 72 HB1 CYS 72 -3.018 -6.267 -6.864 355 HG CYS 72 HG CYS 72 -4.230 -4.001 -6.164 356 H GLY 73 HN GLY 73 -5.055 -9.094 -8.522 357 1HA GLY 73 HA2 GLY 73 -3.917 -10.993 -9.493 358 2HA GLY 73 HA1 GLY 73 -2.429 -10.046 -9.525 359 H CYS 74 HN CYS 74 -4.705 -11.638 -7.346 360 HA CYS 74 HA CYS 74 -3.878 -13.227 -5.653 361 1HB CYS 74 HB2 CYS 74 -1.479 -12.532 -6.064 362 2HB CYS 74 HB1 CYS 74 -1.780 -11.127 -5.042 363 HG CYS 74 HG CYS 74 -0.866 -13.447 -3.782 364 H GLY 75 HN GLY 75 -5.577 -13.009 -4.287 365 1HA GLY 75 HA2 GLY 75 -6.553 -10.475 -3.350 366 2HA GLY 75 HA1 GLY 75 -7.049 -12.049 -2.730 367 H GLY 76 HN GLY 76 -5.393 -9.222 -1.966 368 1HA GLY 76 HA2 GLY 76 -3.545 -10.436 -0.028 369 2HA GLY 76 HA1 GLY 76 -3.793 -8.706 -0.282 370 H ALA 77 HN ALA 77 -3.802 -10.276 2.261 371 HA ALA 77 HA ALA 77 -6.631 -9.836 3.108 372 1HB ALA 77 HB1 ALA 77 -5.216 -11.071 5.200 373 2HB ALA 77 HB2 ALA 77 -4.639 -11.850 3.727 374 3HB ALA 77 HB3 ALA 77 -6.363 -11.840 4.103 375 H VAL 78 HN VAL 78 -6.821 -9.009 5.428 376 HA VAL 78 HA VAL 78 -4.856 -6.794 5.802 377 HB VAL 78 HB VAL 78 -7.701 -7.097 6.813 378 1HG1 VAL 78 HG11 VAL 78 -6.546 -5.795 8.427 379 2HG1 VAL 78 HG12 VAL 78 -7.305 -4.611 7.362 380 3HG1 VAL 78 HG13 VAL 78 -5.587 -4.973 7.196 381 1HG2 VAL 78 HG21 VAL 78 -8.257 -6.269 4.790 382 2HG2 VAL 78 HG22 VAL 78 -6.558 -6.121 4.340 383 3HG2 VAL 78 HG23 VAL 78 -7.361 -4.804 5.196 384 H LYS 79 HN LYS 79 -4.355 -6.252 8.109 385 HA LYS 79 HA LYS 79 -4.781 -8.443 10.043 386 1HB LYS 79 HB2 LYS 79 -2.297 -8.046 8.584 387 2HB LYS 79 HB1 LYS 79 -2.052 -7.878 10.323 388 1HG LYS 79 HG2 LYS 79 -3.274 -10.037 10.655 389 2HG LYS 79 HG1 LYS 79 -3.348 -10.221 8.902 390 1HD LYS 79 HD2 LYS 79 -1.152 -10.796 8.742 391 2HD LYS 79 HD1 LYS 79 -0.658 -9.629 9.969 392 1HE LYS 79 HE2 LYS 79 -1.516 -11.119 11.739 393 2HE LYS 79 HE1 LYS 79 -2.012 -12.288 10.515 394 1HZ LYS 79 HZ1 LYS 79 0.274 -12.527 9.833 395 2HZ LYS 79 HZ2 LYS 79 0.143 -12.831 11.500 396 3HZ LYS 79 HZ3 LYS 79 0.772 -11.352 10.950 397 H ASP 80 HN ASP 80 -6.012 -6.700 11.051 398 HA ASP 80 HA ASP 80 -6.270 -4.820 12.439 399 1HB ASP 80 HB2 ASP 80 -3.850 -6.300 13.378 400 2HB ASP 80 HB1 ASP 80 -4.176 -4.719 14.091 401 H GLY 81 HN GLY 81 -5.799 -3.607 10.280 402 1HA GLY 81 HA2 GLY 81 -4.945 -1.576 9.442 403 2HA GLY 81 HA1 GLY 81 -3.981 -1.430 10.912 404 H VAL 82 HN VAL 82 -3.510 -4.456 9.484 405 HA VAL 82 HA VAL 82 -1.097 -3.441 8.034 406 HB VAL 82 HB VAL 82 -1.195 -6.104 9.453 407 1HG1 VAL 82 HG11 VAL 82 0.638 -6.033 7.990 408 2HG1 VAL 82 HG12 VAL 82 1.343 -5.471 9.506 409 3HG1 VAL 82 HG13 VAL 82 0.903 -4.310 8.253 410 1HG2 VAL 82 HG21 VAL 82 -0.993 -5.109 11.466 411 2HG2 VAL 82 HG22 VAL 82 -1.309 -3.553 10.697 412 3HG2 VAL 82 HG23 VAL 82 0.349 -4.129 10.874 413 H ILE 83 HN ILE 83 -1.909 -3.640 5.944 414 HA ILE 83 HA ILE 83 -3.220 -6.178 5.164 415 HB ILE 83 HB ILE 83 -2.703 -3.626 3.610 416 1HG1 ILE 83 HG12 ILE 83 -5.456 -4.509 4.178 417 2HG1 ILE 83 HG11 ILE 83 -4.530 -4.091 5.620 418 1HG2 ILE 83 HG21 ILE 83 -3.094 -4.908 1.793 419 2HG2 ILE 83 HG22 ILE 83 -4.741 -5.102 2.394 420 3HG2 ILE 83 HG23 ILE 83 -3.511 -6.303 2.788 421 1HD1 ILE 83 HD11 ILE 83 -4.485 -2.271 3.225 422 2HD1 ILE 83 HD12 ILE 83 -4.188 -1.881 4.919 423 3HD1 ILE 83 HD13 ILE 83 -5.831 -2.201 4.364 424 H GLU 84 HN GLU 84 -2.051 -7.803 4.283 425 HA GLU 84 HA GLU 84 0.747 -7.273 3.484 426 1HB GLU 84 HB2 GLU 84 -0.603 -9.966 3.412 427 2HB GLU 84 HB1 GLU 84 1.100 -9.593 3.680 428 1HG GLU 84 HG2 GLU 84 0.404 -8.445 5.832 429 2HG GLU 84 HG1 GLU 84 -1.206 -9.124 5.586 430 H ILE 85 HN ILE 85 1.275 -6.982 1.379 431 HA ILE 85 HA ILE 85 -0.536 -8.143 -0.697 432 HB ILE 85 HB ILE 85 0.814 -5.426 -0.706 433 1HG1 ILE 85 HG12 ILE 85 -1.253 -5.502 0.610 434 2HG1 ILE 85 HG11 ILE 85 -1.540 -4.625 -0.894 435 1HG2 ILE 85 HG21 ILE 85 0.942 -5.949 -2.947 436 2HG2 ILE 85 HG22 ILE 85 -0.729 -5.389 -2.897 437 3HG2 ILE 85 HG23 ILE 85 -0.376 -7.117 -2.858 438 1HD1 ILE 85 HD11 ILE 85 -2.032 -7.321 -1.513 439 2HD1 ILE 85 HD12 ILE 85 -3.236 -6.049 -1.309 440 3HD1 ILE 85 HD13 ILE 85 -2.785 -7.064 0.061 441 H GLN 86 HN GLN 86 0.623 -9.681 -1.751 442 HA GLN 86 HA GLN 86 3.563 -9.536 -1.798 443 1HB GLN 86 HB2 GLN 86 1.608 -11.610 -1.935 444 2HB GLN 86 HB1 GLN 86 2.558 -11.668 -3.421 445 1HG GLN 86 HG2 GLN 86 4.456 -12.297 -2.333 446 2HG GLN 86 HG1 GLN 86 4.137 -11.234 -0.962 447 1HE2 GLN 86 HE21 GLN 86 4.958 -14.060 -0.772 448 2HE2 GLN 86 HE22 GLN 86 3.700 -14.878 0.022 449 H GLY 87 HN GLY 87 4.327 -8.083 -3.289 450 1HA GLY 87 HA2 GLY 87 4.462 -8.549 -6.002 451 2HA GLY 87 HA1 GLY 87 2.970 -7.623 -5.830 452 H ASP 88 HN ASP 88 5.832 -7.028 -6.900 453 HA ASP 88 HA ASP 88 6.482 -4.684 -5.193 454 1HB ASP 88 HB2 ASP 88 7.938 -5.922 -7.550 455 2HB ASP 88 HB1 ASP 88 8.511 -4.525 -6.638 456 H LYS 89 HN LYS 89 4.224 -3.937 -6.143 457 HA LYS 89 HA LYS 89 4.714 -2.536 -8.739 458 1HB LYS 89 HB2 LYS 89 2.193 -3.534 -7.411 459 2HB LYS 89 HB1 LYS 89 2.139 -2.313 -8.683 460 1HG LYS 89 HG2 LYS 89 3.502 -3.887 -10.122 461 2HG LYS 89 HG1 LYS 89 3.260 -5.119 -8.883 462 1HD LYS 89 HD2 LYS 89 0.866 -5.042 -9.172 463 2HD LYS 89 HD1 LYS 89 0.989 -3.641 -10.235 464 1HE LYS 89 HE2 LYS 89 2.457 -5.135 -11.738 465 2HE LYS 89 HE1 LYS 89 1.839 -6.484 -10.786 466 1HZ LYS 89 HZ1 LYS 89 -0.142 -4.596 -11.755 467 2HZ LYS 89 HZ2 LYS 89 -0.205 -6.291 -11.666 468 3HZ LYS 89 HZ3 LYS 89 0.619 -5.535 -12.944 469 H ARG 90 HN ARG 90 5.688 -1.541 -6.200 470 HA ARG 90 HA ARG 90 4.141 0.294 -4.821 471 1HB ARG 90 HB2 ARG 90 6.635 -0.151 -4.542 472 2HB ARG 90 HB1 ARG 90 6.896 0.983 -5.868 473 1HG ARG 90 HG2 ARG 90 5.299 2.526 -4.405 474 2HG ARG 90 HG1 ARG 90 5.898 1.505 -3.096 475 1HD ARG 90 HD2 ARG 90 7.643 3.017 -5.062 476 2HD ARG 90 HD1 ARG 90 7.312 3.520 -3.404 477 HE ARG 90 HE ARG 90 8.316 0.896 -3.242 478 1HH1 ARG 90 HH21 ARG 90 9.770 2.522 -5.582 479 2HH1 ARG 90 HH22 ARG 90 11.241 2.904 -4.751 480 1HH2 ARG 90 HH11 ARG 90 10.020 2.019 -1.629 481 2HH2 ARG 90 HH12 ARG 90 11.382 2.619 -2.514 482 H ASP 91 HN ASP 91 5.423 0.625 -8.103 483 HA ASP 91 HA ASP 91 4.850 3.361 -8.537 484 1HB ASP 91 HB2 ASP 91 5.786 1.284 -10.089 485 2HB ASP 91 HB1 ASP 91 4.213 1.614 -10.817 486 H LEU 92 HN LEU 92 2.754 0.531 -9.195 487 HA LEU 92 HA LEU 92 0.468 2.100 -9.936 488 1HB LEU 92 HB2 LEU 92 1.015 -0.509 -10.145 489 2HB LEU 92 HB1 LEU 92 0.091 -0.567 -8.644 490 HG LEU 92 HG LEU 92 -1.208 1.157 -10.580 491 1HD1 LEU 92 HD11 LEU 92 -0.523 -0.062 -12.418 492 2HD1 LEU 92 HD12 LEU 92 -1.892 -1.054 -11.916 493 3HD1 LEU 92 HD13 LEU 92 -0.252 -1.528 -11.476 494 1HD2 LEU 92 HD21 LEU 92 -2.336 0.213 -8.639 495 2HD2 LEU 92 HD22 LEU 92 -1.958 -1.425 -9.172 496 3HD2 LEU 92 HD23 LEU 92 -3.089 -0.436 -10.096 497 H LEU 93 HN LEU 93 1.788 1.115 -6.852 498 HA LEU 93 HA LEU 93 -0.555 1.471 -5.250 499 1HB LEU 93 HB2 LEU 93 2.369 1.326 -4.788 500 2HB LEU 93 HB1 LEU 93 1.450 2.192 -3.556 501 HG LEU 93 HG LEU 93 1.612 -0.213 -3.015 502 1HD1 LEU 93 HD11 LEU 93 -0.390 0.164 -2.057 503 2HD1 LEU 93 HD12 LEU 93 -1.158 -0.399 -3.542 504 3HD1 LEU 93 HD13 LEU 93 -0.819 1.318 -3.321 505 1HD2 LEU 93 HD21 LEU 93 1.755 -0.967 -5.408 506 2HD2 LEU 93 HD22 LEU 93 0.034 -0.623 -5.574 507 3HD2 LEU 93 HD23 LEU 93 0.579 -1.877 -4.460 508 H LYS 94 HN LYS 94 2.051 3.746 -6.146 509 HA LYS 94 HA LYS 94 1.023 5.983 -4.703 510 1HB LYS 94 HB2 LYS 94 3.311 5.709 -5.883 511 2HB LYS 94 HB1 LYS 94 2.466 6.227 -7.343 512 1HG LYS 94 HG2 LYS 94 1.685 8.261 -6.099 513 2HG LYS 94 HG1 LYS 94 2.697 7.766 -4.742 514 1HD LYS 94 HD2 LYS 94 4.666 7.756 -6.322 515 2HD LYS 94 HD1 LYS 94 3.614 8.479 -7.539 516 1HE LYS 94 HE2 LYS 94 3.117 10.329 -5.900 517 2HE LYS 94 HE1 LYS 94 4.357 9.650 -4.846 518 1HZ LYS 94 HZ1 LYS 94 4.706 10.744 -7.578 519 2HZ LYS 94 HZ2 LYS 94 5.905 9.840 -6.782 520 3HZ LYS 94 HZ3 LYS 94 5.384 11.323 -6.135 521 H SER 95 HN SER 95 0.167 4.597 -7.816 522 HA SER 95 HA SER 95 -1.352 6.863 -8.766 523 1HB SER 95 HB2 SER 95 -0.516 4.950 -10.195 524 2HB SER 95 HB1 SER 95 -1.768 3.944 -9.471 525 HG SER 95 HG SER 95 -2.466 4.903 -11.425 526 H LEU 96 HN LEU 96 -2.629 3.675 -7.744 527 HA LEU 96 HA LEU 96 -5.283 4.378 -7.375 528 1HB LEU 96 HB2 LEU 96 -5.303 2.648 -5.511 529 2HB LEU 96 HB1 LEU 96 -4.626 2.091 -7.042 530 HG LEU 96 HG LEU 96 -2.369 3.012 -5.946 531 1HD1 LEU 96 HD11 LEU 96 -2.387 3.277 -3.695 532 2HD1 LEU 96 HD12 LEU 96 -3.398 1.852 -3.453 533 3HD1 LEU 96 HD13 LEU 96 -4.139 3.401 -3.858 534 1HD2 LEU 96 HD21 LEU 96 -2.602 0.517 -4.713 535 2HD2 LEU 96 HD22 LEU 96 -2.041 0.812 -6.359 536 3HD2 LEU 96 HD23 LEU 96 -3.738 0.435 -6.059 537 H LEU 97 HN LEU 97 -2.568 5.064 -5.216 538 HA LEU 97 HA LEU 97 -4.119 6.024 -3.005 539 1HB LEU 97 HB2 LEU 97 -1.413 5.670 -3.541 540 2HB LEU 97 HB1 LEU 97 -1.578 7.420 -3.391 541 HG LEU 97 HG LEU 97 -2.707 5.463 -1.374 542 1HD1 LEU 97 HD11 LEU 97 -0.518 6.980 -0.343 543 2HD1 LEU 97 HD12 LEU 97 0.018 6.207 -1.835 544 3HD1 LEU 97 HD13 LEU 97 -0.638 5.230 -0.522 545 1HD2 LEU 97 HD21 LEU 97 -2.718 8.389 -1.758 546 2HD2 LEU 97 HD22 LEU 97 -2.256 7.875 -0.135 547 3HD2 LEU 97 HD23 LEU 97 -3.807 7.375 -0.811 548 H GLU 98 HN GLU 98 -2.596 7.746 -5.745 549 HA GLU 98 HA GLU 98 -3.588 10.335 -4.976 550 1HB GLU 98 HB2 GLU 98 -2.141 9.165 -7.225 551 2HB GLU 98 HB1 GLU 98 -3.300 10.386 -7.751 552 1HG GLU 98 HG2 GLU 98 -2.363 11.986 -6.123 553 2HG GLU 98 HG1 GLU 98 -1.203 10.767 -5.593 554 H ALA 99 HN ALA 99 -5.188 7.603 -6.150 555 HA ALA 99 HA ALA 99 -7.175 8.881 -7.815 556 1HB ALA 99 HB1 ALA 99 -7.832 6.404 -6.275 557 2HB ALA 99 HB2 ALA 99 -6.525 6.316 -7.457 558 3HB ALA 99 HB3 ALA 99 -8.146 6.789 -7.967 559 H LYS 100 HN LYS 100 -6.884 8.253 -4.356 560 HA LYS 100 HA LYS 100 -9.635 9.150 -3.833 561 1HB LYS 100 HB2 LYS 100 -7.327 8.353 -2.045 562 2HB LYS 100 HB1 LYS 100 -8.860 8.951 -1.411 563 1HG LYS 100 HG2 LYS 100 -9.977 7.032 -1.935 564 2HG LYS 100 HG1 LYS 100 -9.086 6.810 -3.442 565 1HD LYS 100 HD2 LYS 100 -7.502 6.504 -0.953 566 2HD LYS 100 HD1 LYS 100 -8.707 5.252 -1.256 567 1HE LYS 100 HE2 LYS 100 -6.695 6.151 -3.332 568 2HE LYS 100 HE1 LYS 100 -6.426 4.783 -2.252 569 1HZ LYS 100 HZ1 LYS 100 -8.415 5.085 -4.400 570 2HZ LYS 100 HZ2 LYS 100 -8.721 4.026 -3.107 571 3HZ LYS 100 HZ3 LYS 100 -7.358 3.795 -4.094 572 H GLY 101 HN GLY 101 -6.417 10.499 -3.912 573 1HA GLY 101 HA2 GLY 101 -5.980 12.857 -4.067 574 2HA GLY 101 HA1 GLY 101 -7.580 13.172 -3.395 575 H MET 102 HN MET 102 -5.802 10.746 -1.758 576 HA MET 102 HA MET 102 -5.543 12.520 0.582 577 1HB MET 102 HB2 MET 102 -4.640 9.647 0.475 578 2HB MET 102 HB1 MET 102 -5.252 10.561 1.855 579 1HG MET 102 HG2 MET 102 -7.414 10.749 0.301 580 2HG MET 102 HG1 MET 102 -6.756 9.259 -0.374 581 1HE MET 102 HE1 MET 102 -6.354 6.833 2.112 582 2HE MET 102 HE2 MET 102 -6.336 7.413 0.449 583 3HE MET 102 HE3 MET 102 -7.821 6.753 1.128 584 H LYS 103 HN LYS 103 -3.327 11.760 1.879 585 HA LYS 103 HA LYS 103 -1.171 12.747 0.109 586 1HB LYS 103 HB2 LYS 103 -1.732 12.763 2.988 587 2HB LYS 103 HB1 LYS 103 -0.059 12.344 2.615 588 1HG LYS 103 HG2 LYS 103 0.127 14.356 1.193 589 2HG LYS 103 HG1 LYS 103 -1.539 14.782 1.584 590 1HD LYS 103 HD2 LYS 103 -0.976 15.001 3.946 591 2HD LYS 103 HD1 LYS 103 0.671 14.452 3.633 592 1HE LYS 103 HE2 LYS 103 1.246 16.422 2.489 593 2HE LYS 103 HE1 LYS 103 -0.438 16.847 2.183 594 1HZ LYS 103 HZ1 LYS 103 0.074 16.618 4.967 595 2HZ LYS 103 HZ2 LYS 103 -0.542 17.938 4.093 596 3HZ LYS 103 HZ3 LYS 103 1.136 17.732 4.256 597 H VAL 104 HN VAL 104 0.988 11.639 0.246 598 HA VAL 104 HA VAL 104 0.789 8.735 0.865 599 HB VAL 104 HB VAL 104 1.959 9.794 -1.723 600 1HG1 VAL 104 HG11 VAL 104 1.616 7.281 -2.272 601 2HG1 VAL 104 HG12 VAL 104 1.481 7.067 -0.527 602 3HG1 VAL 104 HG13 VAL 104 2.964 7.719 -1.223 603 1HG2 VAL 104 HG21 VAL 104 -0.808 9.070 -0.954 604 2HG2 VAL 104 HG22 VAL 104 -0.225 8.320 -2.440 605 3HG2 VAL 104 HG23 VAL 104 -0.238 10.077 -2.285 606 H LYS 105 HN LYS 105 2.944 7.729 1.074 607 HA LYS 105 HA LYS 105 5.125 9.723 1.521 608 1HB LYS 105 HB2 LYS 105 3.832 8.633 3.601 609 2HB LYS 105 HB1 LYS 105 4.973 7.325 3.291 610 1HG LYS 105 HG2 LYS 105 6.855 8.767 3.582 611 2HG LYS 105 HG1 LYS 105 5.844 10.211 3.531 612 1HD LYS 105 HD2 LYS 105 4.730 9.481 5.628 613 2HD LYS 105 HD1 LYS 105 5.805 8.083 5.692 614 1HE LYS 105 HE2 LYS 105 7.624 10.080 5.388 615 2HE LYS 105 HE1 LYS 105 6.370 10.929 6.293 616 1HZ LYS 105 HZ1 LYS 105 7.299 9.983 8.068 617 2HZ LYS 105 HZ2 LYS 105 8.156 8.842 7.145 618 3HZ LYS 105 HZ3 LYS 105 6.536 8.553 7.568 619 H LEU 106 HN LEU 106 5.304 8.627 -0.825 620 HA LEU 106 HA LEU 106 6.141 6.026 -1.286 621 1HB LEU 106 HB2 LEU 106 6.140 8.303 -2.778 622 2HB LEU 106 HB1 LEU 106 7.873 8.077 -2.540 623 HG LEU 106 HG LEU 106 7.517 5.650 -3.253 624 1HD1 LEU 106 HD11 LEU 106 5.486 4.935 -4.028 625 2HD1 LEU 106 HD12 LEU 106 5.076 6.511 -4.705 626 3HD1 LEU 106 HD13 LEU 106 4.879 6.215 -2.978 627 1HD2 LEU 106 HD21 LEU 106 8.272 6.355 -5.262 628 2HD2 LEU 106 HD22 LEU 106 7.924 8.000 -4.731 629 3HD2 LEU 106 HD23 LEU 106 6.719 7.096 -5.648 630 H ALA 107 HN ALA 107 7.355 5.039 0.336 631 HA ALA 107 HA ALA 107 9.628 6.286 1.601 632 1HB ALA 107 HB1 ALA 107 8.834 3.367 1.377 633 2HB ALA 107 HB2 ALA 107 8.438 4.460 2.703 634 3HB ALA 107 HB3 ALA 107 10.112 3.979 2.426 635 H GLY 108 HN GLY 108 11.888 5.375 1.393 636 1HA GLY 108 HA2 GLY 108 12.754 3.857 -0.843 637 2HA GLY 108 HA1 GLY 108 12.812 5.560 -1.300 638 H GLY 109 HN GLY 109 15.213 4.943 -1.411 639 1HA GLY 109 HA2 GLY 109 16.818 6.240 0.329 640 2HA GLY 109 HA1 GLY 109 16.545 4.738 1.213 641 H LEU 110 HN LEU 110 19.115 5.500 0.306 642 HA LEU 110 HA LEU 110 19.575 3.608 -1.963 643 1HB LEU 110 HB2 LEU 110 20.402 6.223 -1.714 644 2HB LEU 110 HB1 LEU 110 21.815 5.334 -1.145 645 HG LEU 110 HG LEU 110 20.527 4.251 -3.583 646 1HD1 LEU 110 HD11 LEU 110 21.176 5.946 -5.060 647 2HD1 LEU 110 HD12 LEU 110 22.290 6.666 -3.898 648 3HD1 LEU 110 HD13 LEU 110 20.551 6.872 -3.695 649 1HD2 LEU 110 HD21 LEU 110 23.372 4.904 -3.636 650 2HD2 LEU 110 HD22 LEU 110 22.584 3.336 -3.806 651 3HD2 LEU 110 HD23 LEU 110 22.938 3.976 -2.201 652 H GLU 111 HN GLU 111 20.523 1.705 -1.424 653 HA GLU 111 HA GLU 111 22.379 1.643 0.902 654 1HB GLU 111 HB2 GLU 111 19.884 0.842 1.346 655 2HB GLU 111 HB1 GLU 111 20.459 -0.630 0.560 656 1HG GLU 111 HG2 GLU 111 22.356 -0.718 2.164 657 2HG GLU 111 HG1 GLU 111 21.709 0.708 2.978 Start of MODEL 2 1 HA LYS 29 HA LYS 29 -9.321 19.570 5.945 2 1HB LYS 29 HB2 LYS 29 -11.767 19.341 7.727 3 2HB LYS 29 HB1 LYS 29 -10.183 19.939 8.222 4 1HG LYS 29 HG2 LYS 29 -10.355 21.763 6.563 5 2HG LYS 29 HG1 LYS 29 -11.948 21.173 6.087 6 1HD LYS 29 HD2 LYS 29 -12.792 21.555 8.361 7 2HD LYS 29 HD1 LYS 29 -11.195 22.104 8.873 8 1HE LYS 29 HE2 LYS 29 -11.331 23.907 7.124 9 2HE LYS 29 HE1 LYS 29 -12.997 23.416 6.820 10 1HZ LYS 29 HZ1 LYS 29 -13.389 23.768 9.251 11 2HZ LYS 29 HZ2 LYS 29 -13.071 25.181 8.364 12 3HZ LYS 29 HZ3 LYS 29 -11.859 24.493 9.335 13 H GLY 30 HN GLY 30 -9.167 17.134 4.971 14 1HA GLY 30 HA2 GLY 30 -8.280 15.496 7.133 15 2HA GLY 30 HA1 GLY 30 -9.866 14.925 6.610 16 H ASP 31 HN ASP 31 -6.589 15.630 5.419 17 HA ASP 31 HA ASP 31 -7.122 14.027 2.987 18 1HB ASP 31 HB2 ASP 31 -5.757 16.246 3.095 19 2HB ASP 31 HB1 ASP 31 -4.459 15.229 3.721 20 H GLY 32 HN GLY 32 -6.492 11.921 2.814 21 1HA GLY 32 HA2 GLY 32 -5.164 10.669 5.126 22 2HA GLY 32 HA1 GLY 32 -5.847 9.820 3.738 23 H VAL 33 HN VAL 33 -3.272 9.223 4.770 24 HA VAL 33 HA VAL 33 -1.642 9.890 2.378 25 HB VAL 33 HB VAL 33 0.344 10.277 3.880 26 1HG1 VAL 33 HG11 VAL 33 -0.090 12.542 3.994 27 2HG1 VAL 33 HG12 VAL 33 -1.708 12.305 4.655 28 3HG1 VAL 33 HG13 VAL 33 -1.414 12.054 2.935 29 1HG2 VAL 33 HG21 VAL 33 -1.829 9.929 5.914 30 2HG2 VAL 33 HG22 VAL 33 -0.539 11.083 6.254 31 3HG2 VAL 33 HG23 VAL 33 -0.152 9.386 5.967 32 H VAL 34 HN VAL 34 -1.713 7.751 1.652 33 HA VAL 34 HA VAL 34 -0.914 5.609 3.548 34 HB VAL 34 HB VAL 34 -1.838 5.380 0.668 35 1HG1 VAL 34 HG11 VAL 34 -0.688 3.521 2.503 36 2HG1 VAL 34 HG12 VAL 34 -1.345 3.197 0.899 37 3HG1 VAL 34 HG13 VAL 34 -2.391 3.103 2.316 38 1HG2 VAL 34 HG21 VAL 34 -3.882 4.426 2.193 39 2HG2 VAL 34 HG22 VAL 34 -3.810 6.082 1.591 40 3HG2 VAL 34 HG23 VAL 34 -3.285 5.718 3.235 41 H ARG 35 HN ARG 35 0.954 4.352 3.201 42 HA ARG 35 HA ARG 35 2.775 5.314 1.032 43 1HB ARG 35 HB2 ARG 35 3.730 4.408 3.753 44 2HB ARG 35 HB1 ARG 35 4.636 5.280 2.516 45 1HG ARG 35 HG2 ARG 35 3.334 7.275 2.856 46 2HG ARG 35 HG1 ARG 35 2.194 6.421 3.897 47 1HD ARG 35 HD2 ARG 35 3.954 6.045 5.560 48 2HD ARG 35 HD1 ARG 35 5.136 6.827 4.511 49 HE ARG 35 HE ARG 35 3.332 8.819 4.774 50 1HH1 ARG 35 HH11 ARG 35 5.740 7.650 6.689 51 2HH1 ARG 35 HH12 ARG 35 5.133 8.268 8.188 52 1HH2 ARG 35 HH21 ARG 35 2.056 9.175 6.873 53 2HH2 ARG 35 HH22 ARG 35 3.047 9.131 8.293 54 H ILE 36 HN ILE 36 3.594 3.683 -0.210 55 HA ILE 36 HA ILE 36 3.405 0.899 0.872 56 HB ILE 36 HB ILE 36 2.954 1.751 -2.005 57 1HG1 ILE 36 HG12 ILE 36 0.623 0.603 -0.985 58 2HG1 ILE 36 HG11 ILE 36 1.181 1.657 0.315 59 1HG2 ILE 36 HG21 ILE 36 1.954 -0.675 -1.951 60 2HG2 ILE 36 HG22 ILE 36 2.983 -0.871 -0.532 61 3HG2 ILE 36 HG23 ILE 36 3.699 -0.465 -2.092 62 1HD1 ILE 36 HD11 ILE 36 1.049 3.581 -1.009 63 2HD1 ILE 36 HD12 ILE 36 -0.342 2.654 -1.572 64 3HD1 ILE 36 HD13 ILE 36 1.148 2.669 -2.516 65 H GLN 37 HN GLN 37 5.529 0.410 1.276 66 HA GLN 37 HA GLN 37 7.518 1.076 -0.857 67 1HB GLN 37 HB2 GLN 37 9.228 0.914 0.928 68 2HB GLN 37 HB1 GLN 37 8.014 2.136 1.311 69 1HG GLN 37 HG2 GLN 37 6.798 0.401 2.669 70 2HG GLN 37 HG1 GLN 37 8.162 -0.686 2.404 71 1HE2 GLN 37 HE21 GLN 37 7.885 -0.238 5.009 72 2HE2 GLN 37 HE22 GLN 37 8.949 0.945 5.600 73 H ARG 38 HN ARG 38 9.515 -0.638 -0.404 74 HA ARG 38 HA ARG 38 8.288 -3.357 -0.271 75 1HB ARG 38 HB2 ARG 38 9.613 -4.055 -2.207 76 2HB ARG 38 HB1 ARG 38 8.600 -2.680 -2.651 77 1HG ARG 38 HG2 ARG 38 10.672 -1.246 -1.964 78 2HG ARG 38 HG1 ARG 38 11.568 -2.754 -2.155 79 1HD ARG 38 HD2 ARG 38 10.173 -2.833 -4.443 80 2HD ARG 38 HD1 ARG 38 10.205 -1.084 -4.217 81 HE ARG 38 HE ARG 38 12.763 -1.410 -4.004 82 1HH1 ARG 38 HH21 ARG 38 11.540 -1.531 -6.820 83 2HH1 ARG 38 HH22 ARG 38 12.366 -2.908 -7.470 84 1HH2 ARG 38 HH11 ARG 38 13.463 -4.041 -4.382 85 2HH2 ARG 38 HH12 ARG 38 13.455 -4.328 -6.090 86 H GLN 39 HN GLN 39 9.312 -4.438 1.336 87 HA GLN 39 HA GLN 39 12.062 -3.624 2.093 88 1HB GLN 39 HB2 GLN 39 10.382 -3.849 3.887 89 2HB GLN 39 HB1 GLN 39 10.124 -5.535 3.435 90 1HG GLN 39 HG2 GLN 39 11.899 -6.180 4.655 91 2HG GLN 39 HG1 GLN 39 12.944 -5.053 3.789 92 1HE2 GLN 39 HE21 GLN 39 14.055 -4.424 5.786 93 2HE2 GLN 39 HE22 GLN 39 13.290 -3.450 6.946 94 H THR 40 HN THR 40 13.818 -4.894 1.643 95 HA THR 40 HA THR 40 13.272 -7.602 0.489 96 HB THR 40 HB THR 40 15.783 -6.934 -0.407 97 HG1 THR 40 HG1 THR 40 15.963 -4.862 -0.337 98 1HG2 THR 40 HG21 THR 40 14.304 -7.853 -1.954 99 2HG2 THR 40 HG22 THR 40 14.408 -6.185 -2.518 100 3HG2 THR 40 HG23 THR 40 13.022 -6.707 -1.560 101 H SER 41 HN SER 41 14.746 -9.286 1.084 102 HA SER 41 HA SER 41 16.251 -8.695 3.597 103 1HB SER 41 HB2 SER 41 14.444 -10.805 2.841 104 2HB SER 41 HB1 SER 41 16.024 -11.495 3.200 105 HG SER 41 HG SER 41 14.409 -11.043 4.990 106 H GLY 42 HN GLY 42 17.137 -8.420 0.693 107 1HA GLY 42 HA2 GLY 42 19.747 -8.737 0.612 108 2HA GLY 42 HA1 GLY 42 19.316 -10.448 0.640 109 H ARG 43 HN ARG 43 20.677 -9.832 -1.535 110 HA ARG 43 HA ARG 43 19.144 -8.735 -3.717 111 1HB ARG 43 HB2 ARG 43 21.722 -10.179 -3.396 112 2HB ARG 43 HB1 ARG 43 20.960 -10.289 -4.983 113 1HG ARG 43 HG2 ARG 43 20.812 -7.836 -5.099 114 2HG ARG 43 HG1 ARG 43 21.544 -7.709 -3.499 115 1HD ARG 43 HD2 ARG 43 23.593 -8.767 -4.318 116 2HD ARG 43 HD1 ARG 43 22.864 -8.993 -5.909 117 HE ARG 43 HE ARG 43 22.733 -6.225 -5.268 118 1HH1 ARG 43 HH11 ARG 43 25.182 -8.620 -5.486 119 2HH1 ARG 43 HH12 ARG 43 26.284 -7.614 -6.366 120 1HH2 ARG 43 HH21 ARG 43 24.076 -4.950 -6.605 121 2HH2 ARG 43 HH22 ARG 43 25.658 -5.536 -6.999 122 H LYS 44 HN LYS 44 17.354 -9.693 -4.545 123 HA LYS 44 HA LYS 44 17.397 -12.448 -5.431 124 1HB LYS 44 HB2 LYS 44 15.599 -13.286 -3.963 125 2HB LYS 44 HB1 LYS 44 17.018 -12.831 -3.019 126 1HG LYS 44 HG2 LYS 44 15.984 -10.646 -2.515 127 2HG LYS 44 HG1 LYS 44 14.560 -11.106 -3.449 128 1HD LYS 44 HD2 LYS 44 14.077 -12.931 -1.927 129 2HD LYS 44 HD1 LYS 44 15.584 -12.654 -1.053 130 1HE LYS 44 HE2 LYS 44 14.741 -10.321 -0.538 131 2HE LYS 44 HE1 LYS 44 13.183 -10.815 -1.198 132 1HZ LYS 44 HZ1 LYS 44 13.213 -11.117 1.179 133 2HZ LYS 44 HZ2 LYS 44 14.606 -12.086 1.078 134 3HZ LYS 44 HZ3 LYS 44 13.138 -12.631 0.418 135 H GLY 45 HN GLY 45 15.326 -13.010 -6.521 136 1HA GLY 45 HA2 GLY 45 14.197 -10.661 -7.834 137 2HA GLY 45 HA1 GLY 45 13.766 -12.339 -8.167 138 H LYS 46 HN LYS 46 13.066 -13.082 -5.493 139 HA LYS 46 HA LYS 46 10.333 -12.342 -5.414 140 1HB LYS 46 HB2 LYS 46 12.218 -13.492 -3.361 141 2HB LYS 46 HB1 LYS 46 10.549 -13.108 -2.937 142 1HG LYS 46 HG2 LYS 46 9.725 -14.563 -4.719 143 2HG LYS 46 HG1 LYS 46 11.376 -14.897 -5.241 144 1HD LYS 46 HD2 LYS 46 11.879 -15.964 -3.105 145 2HD LYS 46 HD1 LYS 46 10.277 -15.551 -2.492 146 1HE LYS 46 HE2 LYS 46 9.269 -16.909 -4.330 147 2HE LYS 46 HE1 LYS 46 10.892 -17.395 -4.819 148 1HZ LYS 46 HZ1 LYS 46 9.784 -17.825 -2.100 149 2HZ LYS 46 HZ2 LYS 46 11.241 -18.437 -2.725 150 3HZ LYS 46 HZ3 LYS 46 9.754 -18.995 -3.327 151 H GLY 47 HN GLY 47 9.223 -10.986 -3.797 152 1HA GLY 47 HA2 GLY 47 10.733 -9.066 -2.226 153 2HA GLY 47 HA1 GLY 47 10.053 -8.339 -3.683 154 H VAL 48 HN VAL 48 9.280 -7.668 -0.984 155 HA VAL 48 HA VAL 48 6.415 -8.512 -1.109 156 HB VAL 48 HB VAL 48 6.569 -8.173 1.492 157 1HG1 VAL 48 HG11 VAL 48 7.898 -10.626 0.325 158 2HG1 VAL 48 HG12 VAL 48 6.171 -10.315 0.142 159 3HG1 VAL 48 HG13 VAL 48 6.864 -10.525 1.750 160 1HG2 VAL 48 HG21 VAL 48 8.826 -8.941 2.321 161 2HG2 VAL 48 HG22 VAL 48 8.839 -7.334 1.595 162 3HG2 VAL 48 HG23 VAL 48 9.440 -8.719 0.683 163 H CYS 49 HN CYS 49 4.979 -6.900 0.042 164 HA CYS 49 HA CYS 49 6.162 -4.159 0.056 165 1HB CYS 49 HB2 CYS 49 3.832 -5.191 -1.517 166 2HB CYS 49 HB1 CYS 49 3.763 -3.541 -0.898 167 HG CYS 49 HG CYS 49 4.970 -3.706 -3.318 168 H LEU 50 HN LEU 50 5.506 -2.947 1.795 169 HA LEU 50 HA LEU 50 3.382 -4.138 3.531 170 1HB LEU 50 HB2 LEU 50 6.028 -3.089 4.085 171 2HB LEU 50 HB1 LEU 50 4.806 -2.211 5.006 172 HG LEU 50 HG LEU 50 4.576 -5.185 4.895 173 1HD1 LEU 50 HD11 LEU 50 6.187 -5.479 6.696 174 2HD1 LEU 50 HD12 LEU 50 6.525 -3.748 6.721 175 3HD1 LEU 50 HD13 LEU 50 7.000 -4.719 5.327 176 1HD2 LEU 50 HD21 LEU 50 2.916 -3.758 6.062 177 2HD2 LEU 50 HD22 LEU 50 4.201 -3.114 7.084 178 3HD2 LEU 50 HD23 LEU 50 3.760 -4.818 7.191 179 H ILE 51 HN ILE 51 1.653 -2.846 4.133 180 HA ILE 51 HA ILE 51 1.699 -0.011 3.183 181 HB ILE 51 HB ILE 51 -0.506 -2.069 2.918 182 1HG1 ILE 51 HG12 ILE 51 0.400 -0.238 0.738 183 2HG1 ILE 51 HG11 ILE 51 1.486 -1.550 1.198 184 1HG2 ILE 51 HG21 ILE 51 -1.732 -0.196 3.592 185 2HG2 ILE 51 HG22 ILE 51 -1.676 0.024 1.843 186 3HG2 ILE 51 HG23 ILE 51 -0.581 0.936 2.882 187 1HD1 ILE 51 HD11 ILE 51 -1.039 -2.746 1.090 188 2HD1 ILE 51 HD12 ILE 51 0.243 -2.900 -0.112 189 3HD1 ILE 51 HD13 ILE 51 -1.004 -1.668 -0.305 190 H THR 52 HN THR 52 1.767 1.127 5.079 191 HA THR 52 HA THR 52 -0.442 0.739 6.993 192 HB THR 52 HB THR 52 2.417 0.712 7.987 193 HG1 THR 52 HG1 THR 52 2.428 -1.334 7.605 194 1HG2 THR 52 HG21 THR 52 -0.299 0.283 9.238 195 2HG2 THR 52 HG22 THR 52 0.910 1.495 9.662 196 3HG2 THR 52 HG23 THR 52 1.197 -0.205 10.034 197 H GLY 53 HN GLY 53 -0.599 2.584 8.496 198 1HA GLY 53 HA2 GLY 53 0.167 4.797 9.211 199 2HA GLY 53 HA1 GLY 53 1.026 4.947 7.678 200 H VAL 54 HN VAL 54 -2.105 3.572 7.442 201 HA VAL 54 HA VAL 54 -3.045 5.816 5.851 202 HB VAL 54 HB VAL 54 -4.650 3.471 6.908 203 1HG1 VAL 54 HG11 VAL 54 -6.151 5.037 5.989 204 2HG1 VAL 54 HG12 VAL 54 -5.819 3.956 4.635 205 3HG1 VAL 54 HG13 VAL 54 -5.016 5.523 4.730 206 1HG2 VAL 54 HG21 VAL 54 -3.990 2.967 4.257 207 2HG2 VAL 54 HG22 VAL 54 -3.244 2.204 5.661 208 3HG2 VAL 54 HG23 VAL 54 -2.495 3.621 4.926 209 H ASP 55 HN ASP 55 -4.220 7.545 6.555 210 HA ASP 55 HA ASP 55 -5.102 7.525 9.405 211 1HB ASP 55 HB2 ASP 55 -3.514 9.333 8.326 212 2HB ASP 55 HB1 ASP 55 -5.025 10.001 7.707 213 H LEU 56 HN LEU 56 -7.095 6.386 8.975 214 HA LEU 56 HA LEU 56 -9.150 8.129 7.689 215 1HB LEU 56 HB2 LEU 56 -8.396 5.348 7.024 216 2HB LEU 56 HB1 LEU 56 -10.129 5.626 7.204 217 HG LEU 56 HG LEU 56 -8.368 7.418 5.521 218 1HD1 LEU 56 HD11 LEU 56 -9.570 6.080 3.622 219 2HD1 LEU 56 HD12 LEU 56 -9.749 4.828 4.851 220 3HD1 LEU 56 HD13 LEU 56 -8.141 5.380 4.382 221 1HD2 LEU 56 HD21 LEU 56 -10.690 8.119 6.395 222 2HD2 LEU 56 HD22 LEU 56 -11.337 6.886 5.312 223 3HD2 LEU 56 HD23 LEU 56 -10.424 8.244 4.656 224 H ASP 57 HN ASP 57 -11.402 6.705 8.245 225 HA ASP 57 HA ASP 57 -11.663 7.064 11.114 226 1HB ASP 57 HB2 ASP 57 -13.438 6.482 8.833 227 2HB ASP 57 HB1 ASP 57 -13.938 5.728 10.348 228 H ASP 58 HN ASP 58 -12.498 4.167 9.181 229 HA ASP 58 HA ASP 58 -10.777 2.338 10.460 230 1HB ASP 58 HB2 ASP 58 -12.891 3.249 12.179 231 2HB ASP 58 HB1 ASP 58 -13.150 1.543 11.808 232 H ALA 59 HN ALA 59 -14.322 2.341 9.907 233 HA ALA 59 HA ALA 59 -14.319 -0.219 8.618 234 1HB ALA 59 HB1 ALA 59 -16.266 1.457 9.543 235 2HB ALA 59 HB2 ALA 59 -16.577 0.074 8.493 236 3HB ALA 59 HB3 ALA 59 -16.425 1.690 7.802 237 H GLU 60 HN GLU 60 -13.838 3.055 7.426 238 HA GLU 60 HA GLU 60 -14.185 2.475 4.635 239 1HB GLU 60 HB2 GLU 60 -13.213 4.694 6.267 240 2HB GLU 60 HB1 GLU 60 -12.290 4.512 4.774 241 1HG GLU 60 HG2 GLU 60 -15.267 4.316 4.602 242 2HG GLU 60 HG1 GLU 60 -14.559 5.915 4.835 243 H LEU 61 HN LEU 61 -11.424 2.225 6.831 244 HA LEU 61 HA LEU 61 -9.424 1.759 4.835 245 1HB LEU 61 HB2 LEU 61 -9.681 1.193 7.767 246 2HB LEU 61 HB1 LEU 61 -8.374 0.419 6.870 247 HG LEU 61 HG LEU 61 -8.519 3.175 6.085 248 1HD1 LEU 61 HD11 LEU 61 -8.480 2.634 9.064 249 2HD1 LEU 61 HD12 LEU 61 -9.564 3.708 8.180 250 3HD1 LEU 61 HD13 LEU 61 -7.858 4.121 8.350 251 1HD2 LEU 61 HD21 LEU 61 -6.244 2.766 7.666 252 2HD2 LEU 61 HD22 LEU 61 -6.356 2.542 5.920 253 3HD2 LEU 61 HD23 LEU 61 -6.612 1.173 7.003 254 H THR 62 HN THR 62 -11.642 -0.418 6.550 255 HA THR 62 HA THR 62 -10.546 -2.881 5.643 256 HB THR 62 HB THR 62 -13.489 -2.303 6.075 257 HG1 THR 62 HG1 THR 62 -13.116 -2.454 8.189 258 1HG2 THR 62 HG21 THR 62 -11.750 -4.762 6.093 259 2HG2 THR 62 HG22 THR 62 -13.265 -4.489 5.233 260 3HG2 THR 62 HG23 THR 62 -13.273 -4.725 6.981 261 H LYS 63 HN LYS 63 -13.148 -0.880 4.214 262 HA LYS 63 HA LYS 63 -13.595 -2.521 1.936 263 1HB LYS 63 HB2 LYS 63 -14.951 -0.484 2.767 264 2HB LYS 63 HB1 LYS 63 -13.785 0.491 1.871 265 1HG LYS 63 HG2 LYS 63 -14.319 -0.708 -0.193 266 2HG LYS 63 HG1 LYS 63 -15.425 -1.766 0.683 267 1HD LYS 63 HD2 LYS 63 -16.884 0.091 1.214 268 2HD LYS 63 HD1 LYS 63 -15.729 1.245 0.546 269 1HE LYS 63 HE2 LYS 63 -15.982 -0.166 -1.645 270 2HE LYS 63 HE1 LYS 63 -17.480 -0.725 -0.901 271 1HZ LYS 63 HZ1 LYS 63 -17.537 1.956 -0.501 272 2HZ LYS 63 HZ2 LYS 63 -18.364 1.125 -1.731 273 3HZ LYS 63 HZ3 LYS 63 -16.850 1.829 -2.047 274 H LEU 64 HN LEU 64 -11.222 0.042 2.536 275 HA LEU 64 HA LEU 64 -10.241 0.311 -0.118 276 1HB LEU 64 HB2 LEU 64 -9.623 1.452 2.290 277 2HB LEU 64 HB1 LEU 64 -8.210 0.430 2.024 278 HG LEU 64 HG LEU 64 -7.841 2.641 1.029 279 1HD1 LEU 64 HD11 LEU 64 -7.197 0.360 -0.120 280 2HD1 LEU 64 HD12 LEU 64 -6.996 1.873 -1.005 281 3HD1 LEU 64 HD13 LEU 64 -8.398 0.849 -1.316 282 1HD2 LEU 64 HD21 LEU 64 -9.654 2.539 -1.177 283 2HD2 LEU 64 HD22 LEU 64 -9.567 3.752 0.100 284 3HD2 LEU 64 HD23 LEU 64 -10.594 2.332 0.301 285 H ALA 65 HN ALA 65 -8.988 -1.755 2.531 286 HA ALA 65 HA ALA 65 -7.023 -3.090 0.971 287 1HB ALA 65 HB1 ALA 65 -8.497 -4.587 3.105 288 2HB ALA 65 HB2 ALA 65 -7.585 -3.151 3.568 289 3HB ALA 65 HB3 ALA 65 -6.764 -4.505 2.791 290 H ALA 66 HN ALA 66 -10.488 -3.640 1.310 291 HA ALA 66 HA ALA 66 -10.563 -6.233 0.087 292 1HB ALA 66 HB1 ALA 66 -12.476 -4.180 0.892 293 2HB ALA 66 HB2 ALA 66 -12.669 -5.933 0.850 294 3HB ALA 66 HB3 ALA 66 -12.956 -4.979 -0.605 295 H GLU 67 HN GLU 67 -10.809 -2.944 -1.258 296 HA GLU 67 HA GLU 67 -11.168 -3.899 -3.984 297 1HB GLU 67 HB2 GLU 67 -11.669 -1.528 -2.804 298 2HB GLU 67 HB1 GLU 67 -10.079 -1.173 -3.481 299 1HG GLU 67 HG2 GLU 67 -10.871 -1.931 -5.705 300 2HG GLU 67 HG1 GLU 67 -12.469 -2.231 -5.020 301 H LEU 68 HN LEU 68 -8.471 -3.394 -1.891 302 HA LEU 68 HA LEU 68 -6.472 -2.963 -3.944 303 1HB LEU 68 HB2 LEU 68 -6.555 -3.253 -1.055 304 2HB LEU 68 HB1 LEU 68 -5.218 -4.176 -1.742 305 HG LEU 68 HG LEU 68 -4.506 -1.875 -1.242 306 1HD1 LEU 68 HD11 LEU 68 -3.962 -3.250 -3.487 307 2HD1 LEU 68 HD12 LEU 68 -3.303 -1.641 -3.189 308 3HD1 LEU 68 HD13 LEU 68 -4.725 -1.836 -4.214 309 1HD2 LEU 68 HD21 LEU 68 -6.016 -0.218 -1.499 310 2HD2 LEU 68 HD22 LEU 68 -7.093 -1.287 -2.398 311 3HD2 LEU 68 HD23 LEU 68 -5.834 -0.389 -3.245 312 H LYS 69 HN LYS 69 -7.324 -5.834 -1.978 313 HA LYS 69 HA LYS 69 -5.620 -7.628 -3.431 314 1HB LYS 69 HB2 LYS 69 -7.125 -9.403 -2.404 315 2HB LYS 69 HB1 LYS 69 -6.379 -8.293 -1.253 316 1HG LYS 69 HG2 LYS 69 -8.368 -7.217 -0.787 317 2HG LYS 69 HG1 LYS 69 -9.037 -7.537 -2.387 318 1HD LYS 69 HD2 LYS 69 -10.204 -8.882 -0.693 319 2HD LYS 69 HD1 LYS 69 -9.298 -9.927 -1.789 320 1HE LYS 69 HE2 LYS 69 -7.992 -10.693 -0.116 321 2HE LYS 69 HE1 LYS 69 -7.666 -9.059 0.463 322 1HZ LYS 69 HZ1 LYS 69 -9.981 -9.139 1.428 323 2HZ LYS 69 HZ2 LYS 69 -8.819 -10.123 2.183 324 3HZ LYS 69 HZ3 LYS 69 -9.959 -10.808 1.126 325 H LYS 70 HN LYS 70 -8.743 -6.293 -4.115 326 HA LYS 70 HA LYS 70 -9.835 -8.299 -5.793 327 1HB LYS 70 HB2 LYS 70 -10.235 -5.419 -5.360 328 2HB LYS 70 HB1 LYS 70 -10.616 -5.947 -7.000 329 1HG LYS 70 HG2 LYS 70 -11.931 -7.865 -5.887 330 2HG LYS 70 HG1 LYS 70 -11.804 -6.922 -4.401 331 1HD LYS 70 HD2 LYS 70 -13.271 -5.333 -5.128 332 2HD LYS 70 HD1 LYS 70 -12.680 -5.406 -6.788 333 1HE LYS 70 HE2 LYS 70 -13.948 -7.394 -7.242 334 2HE LYS 70 HE1 LYS 70 -14.350 -7.599 -5.537 335 1HZ LYS 70 HZ1 LYS 70 -15.642 -5.596 -5.597 336 2HZ LYS 70 HZ2 LYS 70 -16.166 -6.621 -6.847 337 3HZ LYS 70 HZ3 LYS 70 -15.179 -5.284 -7.199 338 H LYS 71 HN LYS 71 -7.386 -5.828 -6.466 339 HA LYS 71 HA LYS 71 -7.086 -7.044 -9.185 340 1HB LYS 71 HB2 LYS 71 -7.850 -4.564 -8.955 341 2HB LYS 71 HB1 LYS 71 -6.170 -4.257 -8.512 342 1HG LYS 71 HG2 LYS 71 -5.385 -5.194 -10.608 343 2HG LYS 71 HG1 LYS 71 -7.018 -5.703 -11.037 344 1HD LYS 71 HD2 LYS 71 -7.635 -3.194 -10.785 345 2HD LYS 71 HD1 LYS 71 -5.898 -2.910 -10.897 346 1HE LYS 71 HE2 LYS 71 -5.870 -4.205 -13.037 347 2HE LYS 71 HE1 LYS 71 -7.626 -4.335 -12.942 348 1HZ LYS 71 HZ1 LYS 71 -6.115 -1.780 -12.990 349 2HZ LYS 71 HZ2 LYS 71 -7.805 -1.953 -13.002 350 3HZ LYS 71 HZ3 LYS 71 -6.885 -2.473 -14.333 351 H CYS 72 HN CYS 72 -5.766 -7.677 -6.507 352 HA CYS 72 HA CYS 72 -2.946 -7.060 -7.276 353 1HB CYS 72 HB2 CYS 72 -4.350 -7.227 -4.725 354 2HB CYS 72 HB1 CYS 72 -2.907 -8.240 -4.747 355 HG CYS 72 HG CYS 72 -1.866 -6.009 -4.199 356 H GLY 73 HN GLY 73 -5.251 -9.635 -6.743 357 1HA GLY 73 HA2 GLY 73 -5.098 -11.933 -7.179 358 2HA GLY 73 HA1 GLY 73 -3.723 -11.542 -8.212 359 H CYS 74 HN CYS 74 -4.308 -11.358 -4.681 360 HA CYS 74 HA CYS 74 -2.570 -13.479 -3.958 361 1HB CYS 74 HB2 CYS 74 -0.554 -12.227 -3.266 362 2HB CYS 74 HB1 CYS 74 -0.811 -12.103 -5.007 363 HG CYS 74 HG CYS 74 -1.262 -9.799 -2.966 364 H GLY 75 HN GLY 75 -3.188 -13.917 -1.900 365 1HA GLY 75 HA2 GLY 75 -4.149 -11.630 -0.226 366 2HA GLY 75 HA1 GLY 75 -4.797 -13.266 -0.109 367 H GLY 76 HN GLY 76 -1.910 -11.304 0.498 368 1HA GLY 76 HA2 GLY 76 -0.508 -13.441 1.889 369 2HA GLY 76 HA1 GLY 76 -0.040 -11.741 1.870 370 H ALA 77 HN ALA 77 -2.105 -10.425 3.003 371 HA ALA 77 HA ALA 77 -3.394 -11.610 5.230 372 1HB ALA 77 HB1 ALA 77 -0.577 -11.306 5.611 373 2HB ALA 77 HB2 ALA 77 -1.779 -11.855 6.778 374 3HB ALA 77 HB3 ALA 77 -1.395 -10.139 6.650 375 H VAL 78 HN VAL 78 -4.965 -10.146 5.676 376 HA VAL 78 HA VAL 78 -4.277 -7.245 5.447 377 HB VAL 78 HB VAL 78 -6.909 -8.528 4.656 378 1HG1 VAL 78 HG11 VAL 78 -7.056 -6.185 5.455 379 2HG1 VAL 78 HG12 VAL 78 -7.399 -6.304 3.729 380 3HG1 VAL 78 HG13 VAL 78 -5.829 -5.717 4.277 381 1HG2 VAL 78 HG21 VAL 78 -4.619 -7.477 2.961 382 2HG2 VAL 78 HG22 VAL 78 -6.190 -7.978 2.336 383 3HG2 VAL 78 HG23 VAL 78 -5.125 -9.161 3.094 384 H LYS 79 HN LYS 79 -4.601 -6.225 7.360 385 HA LYS 79 HA LYS 79 -6.767 -7.241 9.152 386 1HB LYS 79 HB2 LYS 79 -3.928 -6.483 9.891 387 2HB LYS 79 HB1 LYS 79 -5.223 -6.645 11.078 388 1HG LYS 79 HG2 LYS 79 -5.571 -8.970 10.452 389 2HG LYS 79 HG1 LYS 79 -4.392 -8.829 9.148 390 1HD LYS 79 HD2 LYS 79 -2.648 -9.114 10.558 391 2HD LYS 79 HD1 LYS 79 -3.313 -7.975 11.730 392 1HE LYS 79 HE2 LYS 79 -4.423 -9.614 12.903 393 2HE LYS 79 HE1 LYS 79 -4.686 -10.608 11.470 394 1HZ LYS 79 HZ1 LYS 79 -2.380 -11.246 11.497 395 2HZ LYS 79 HZ2 LYS 79 -3.071 -11.582 13.012 396 3HZ LYS 79 HZ3 LYS 79 -2.066 -10.226 12.816 397 H ASP 80 HN ASP 80 -7.912 -5.613 10.250 398 HA ASP 80 HA ASP 80 -8.019 -3.025 9.083 399 1HB ASP 80 HB2 ASP 80 -9.257 -4.401 11.348 400 2HB ASP 80 HB1 ASP 80 -8.999 -2.685 11.665 401 H GLY 81 HN GLY 81 -6.301 -1.649 9.115 402 1HA GLY 81 HA2 GLY 81 -5.227 0.053 10.637 403 2HA GLY 81 HA1 GLY 81 -4.872 -1.294 11.721 404 H VAL 82 HN VAL 82 -4.101 -3.182 9.708 405 HA VAL 82 HA VAL 82 -1.763 -1.887 8.400 406 HB VAL 82 HB VAL 82 -1.618 -4.323 10.204 407 1HG1 VAL 82 HG11 VAL 82 0.801 -4.251 9.692 408 2HG1 VAL 82 HG12 VAL 82 0.518 -2.928 8.561 409 3HG1 VAL 82 HG13 VAL 82 -0.152 -4.526 8.234 410 1HG2 VAL 82 HG21 VAL 82 -0.571 -1.489 10.438 411 2HG2 VAL 82 HG22 VAL 82 0.005 -2.815 11.447 412 3HG2 VAL 82 HG23 VAL 82 -1.684 -2.314 11.530 413 H ILE 83 HN ILE 83 -1.428 -2.707 6.369 414 HA ILE 83 HA ILE 83 -2.830 -5.261 5.681 415 HB ILE 83 HB ILE 83 -2.441 -2.798 3.951 416 1HG1 ILE 83 HG12 ILE 83 -5.119 -3.943 4.563 417 2HG1 ILE 83 HG11 ILE 83 -4.301 -3.113 5.887 418 1HG2 ILE 83 HG21 ILE 83 -4.155 -4.305 2.561 419 2HG2 ILE 83 HG22 ILE 83 -3.302 -5.605 3.395 420 3HG2 ILE 83 HG23 ILE 83 -2.411 -4.480 2.369 421 1HD1 ILE 83 HD11 ILE 83 -5.496 -1.385 4.813 422 2HD1 ILE 83 HD12 ILE 83 -5.128 -2.010 3.205 423 3HD1 ILE 83 HD13 ILE 83 -3.866 -1.228 4.158 424 H GLU 84 HN GLU 84 -1.702 -6.657 4.238 425 HA GLU 84 HA GLU 84 1.085 -5.841 3.551 426 1HB GLU 84 HB2 GLU 84 0.643 -7.461 5.660 427 2HB GLU 84 HB1 GLU 84 0.644 -8.668 4.373 428 1HG GLU 84 HG2 GLU 84 2.832 -7.848 3.592 429 2HG GLU 84 HG1 GLU 84 2.832 -6.625 4.864 430 H ILE 85 HN ILE 85 1.676 -6.447 1.500 431 HA ILE 85 HA ILE 85 -0.186 -8.287 0.048 432 HB ILE 85 HB ILE 85 1.494 -6.101 -1.205 433 1HG1 ILE 85 HG12 ILE 85 -0.086 -5.060 0.350 434 2HG1 ILE 85 HG11 ILE 85 -0.638 -4.805 -1.306 435 1HG2 ILE 85 HG21 ILE 85 0.839 -7.742 -2.812 436 2HG2 ILE 85 HG22 ILE 85 -0.307 -6.414 -2.998 437 3HG2 ILE 85 HG23 ILE 85 -0.780 -7.871 -2.125 438 1HD1 ILE 85 HD11 ILE 85 -1.943 -6.237 0.864 439 2HD1 ILE 85 HD12 ILE 85 -1.763 -7.257 -0.563 440 3HD1 ILE 85 HD13 ILE 85 -2.606 -5.713 -0.683 441 H GLN 86 HN GLN 86 0.790 -9.816 -1.368 442 HA GLN 86 HA GLN 86 3.709 -10.217 -0.871 443 1HB GLN 86 HB2 GLN 86 1.473 -11.985 -0.711 444 2HB GLN 86 HB1 GLN 86 2.489 -12.523 -2.049 445 1HG GLN 86 HG2 GLN 86 4.447 -12.579 -0.602 446 2HG GLN 86 HG1 GLN 86 3.516 -11.903 0.736 447 1HE2 GLN 86 HE21 GLN 86 1.120 -13.428 0.479 448 2HE2 GLN 86 HE22 GLN 86 1.476 -15.057 0.799 449 H GLY 87 HN GLY 87 5.005 -9.795 -2.586 450 1HA GLY 87 HA2 GLY 87 5.354 -10.594 -5.014 451 2HA GLY 87 HA1 GLY 87 3.781 -9.852 -5.312 452 H ASP 88 HN ASP 88 6.128 -9.017 -6.664 453 HA ASP 88 HA ASP 88 6.783 -6.414 -5.364 454 1HB ASP 88 HB2 ASP 88 8.586 -8.065 -6.251 455 2HB ASP 88 HB1 ASP 88 8.105 -7.493 -7.849 456 H LYS 89 HN LYS 89 5.322 -4.878 -5.977 457 HA LYS 89 HA LYS 89 5.038 -4.271 -8.829 458 1HB LYS 89 HB2 LYS 89 2.931 -5.673 -7.310 459 2HB LYS 89 HB1 LYS 89 2.376 -4.238 -8.172 460 1HG LYS 89 HG2 LYS 89 3.561 -5.138 -10.225 461 2HG LYS 89 HG1 LYS 89 3.805 -6.641 -9.334 462 1HD LYS 89 HD2 LYS 89 1.313 -6.729 -8.958 463 2HD LYS 89 HD1 LYS 89 1.158 -5.356 -10.054 464 1HE LYS 89 HE2 LYS 89 2.508 -6.788 -11.730 465 2HE LYS 89 HE1 LYS 89 2.123 -8.146 -10.673 466 1HZ LYS 89 HZ1 LYS 89 0.376 -8.154 -12.149 467 2HZ LYS 89 HZ2 LYS 89 0.308 -6.460 -12.263 468 3HZ LYS 89 HZ3 LYS 89 -0.270 -7.245 -10.871 469 H ARG 90 HN ARG 90 6.026 -2.968 -6.366 470 HA ARG 90 HA ARG 90 4.261 -1.061 -5.287 471 1HB ARG 90 HB2 ARG 90 6.540 -1.353 -4.439 472 2HB ARG 90 HB1 ARG 90 7.203 -0.741 -5.956 473 1HG ARG 90 HG2 ARG 90 5.802 1.377 -5.504 474 2HG ARG 90 HG1 ARG 90 5.640 0.764 -3.857 475 1HD ARG 90 HD2 ARG 90 7.556 2.277 -3.973 476 2HD ARG 90 HD1 ARG 90 8.124 0.630 -3.698 477 HE ARG 90 HE ARG 90 8.063 1.150 -6.514 478 1HH1 ARG 90 HH21 ARG 90 9.536 2.599 -3.792 479 2HH1 ARG 90 HH22 ARG 90 11.121 2.642 -4.488 480 1HH2 ARG 90 HH11 ARG 90 10.197 0.924 -7.355 481 2HH2 ARG 90 HH12 ARG 90 11.495 1.694 -6.506 482 H ASP 91 HN ASP 91 5.765 -1.181 -8.446 483 HA ASP 91 HA ASP 91 5.457 1.545 -9.207 484 1HB ASP 91 HB2 ASP 91 6.676 -0.282 -10.493 485 2HB ASP 91 HB1 ASP 91 5.095 -0.833 -11.047 486 H LEU 92 HN LEU 92 3.237 -1.220 -9.725 487 HA LEU 92 HA LEU 92 1.126 0.450 -10.782 488 1HB LEU 92 HB2 LEU 92 1.405 -2.067 -11.126 489 2HB LEU 92 HB1 LEU 92 0.779 -2.264 -9.489 490 HG LEU 92 HG LEU 92 -0.869 -0.435 -11.041 491 1HD1 LEU 92 HD11 LEU 92 0.193 -2.548 -12.549 492 2HD1 LEU 92 HD12 LEU 92 -1.223 -1.578 -12.952 493 3HD1 LEU 92 HD13 LEU 92 -1.415 -3.096 -12.075 494 1HD2 LEU 92 HD21 LEU 92 -1.839 -3.096 -10.123 495 2HD2 LEU 92 HD22 LEU 92 -2.544 -1.498 -9.879 496 3HD2 LEU 92 HD23 LEU 92 -1.189 -2.026 -8.881 497 H LEU 93 HN LEU 93 2.164 -0.424 -7.579 498 HA LEU 93 HA LEU 93 -0.287 0.032 -6.174 499 1HB LEU 93 HB2 LEU 93 2.612 -0.025 -5.466 500 2HB LEU 93 HB1 LEU 93 1.517 0.756 -4.325 501 HG LEU 93 HG LEU 93 0.642 -1.868 -5.419 502 1HD1 LEU 93 HD11 LEU 93 2.037 -2.869 -3.422 503 2HD1 LEU 93 HD12 LEU 93 3.065 -1.462 -3.691 504 3HD1 LEU 93 HD13 LEU 93 2.807 -2.626 -4.990 505 1HD2 LEU 93 HD21 LEU 93 0.309 -0.171 -3.013 506 2HD2 LEU 93 HD22 LEU 93 0.344 -1.907 -2.707 507 3HD2 LEU 93 HD23 LEU 93 -0.853 -1.230 -3.812 508 H LYS 94 HN LYS 94 2.435 2.228 -6.918 509 HA LYS 94 HA LYS 94 1.300 4.542 -5.692 510 1HB LYS 94 HB2 LYS 94 3.647 4.499 -6.336 511 2HB LYS 94 HB1 LYS 94 3.211 4.296 -8.034 512 1HG LYS 94 HG2 LYS 94 2.006 6.495 -7.925 513 2HG LYS 94 HG1 LYS 94 2.634 6.707 -6.290 514 1HD LYS 94 HD2 LYS 94 4.958 6.418 -7.239 515 2HD LYS 94 HD1 LYS 94 4.238 6.467 -8.848 516 1HE LYS 94 HE2 LYS 94 3.220 8.691 -8.244 517 2HE LYS 94 HE1 LYS 94 4.153 8.650 -6.748 518 1HZ LYS 94 HZ1 LYS 94 5.717 9.645 -7.974 519 2HZ LYS 94 HZ2 LYS 94 5.021 9.172 -9.450 520 3HZ LYS 94 HZ3 LYS 94 6.022 8.097 -8.596 521 H SER 95 HN SER 95 0.595 2.923 -8.683 522 HA SER 95 HA SER 95 -0.703 5.203 -9.949 523 1HB SER 95 HB2 SER 95 0.259 3.104 -11.104 524 2HB SER 95 HB1 SER 95 -1.225 2.300 -10.598 525 HG SER 95 HG SER 95 -1.339 3.272 -12.705 526 H LEU 96 HN LEU 96 -2.091 2.097 -8.817 527 HA LEU 96 HA LEU 96 -4.776 2.836 -8.805 528 1HB LEU 96 HB2 LEU 96 -5.026 1.207 -6.879 529 2HB LEU 96 HB1 LEU 96 -4.168 0.565 -8.280 530 HG LEU 96 HG LEU 96 -2.053 1.530 -6.980 531 1HD1 LEU 96 HD11 LEU 96 -3.049 0.601 -4.492 532 2HD1 LEU 96 HD12 LEU 96 -4.210 1.787 -5.090 533 3HD1 LEU 96 HD13 LEU 96 -2.516 2.234 -4.893 534 1HD2 LEU 96 HD21 LEU 96 -3.543 -1.058 -6.709 535 2HD2 LEU 96 HD22 LEU 96 -2.121 -0.793 -5.699 536 3HD2 LEU 96 HD23 LEU 96 -1.976 -0.744 -7.456 537 H LEU 97 HN LEU 97 -2.297 3.602 -6.397 538 HA LEU 97 HA LEU 97 -4.120 4.754 -4.477 539 1HB LEU 97 HB2 LEU 97 -1.375 4.190 -4.581 540 2HB LEU 97 HB1 LEU 97 -1.468 5.946 -4.437 541 HG LEU 97 HG LEU 97 -3.081 5.629 -2.528 542 1HD1 LEU 97 HD11 LEU 97 -3.557 3.199 -3.356 543 2HD1 LEU 97 HD12 LEU 97 -3.499 3.504 -1.620 544 3HD1 LEU 97 HD13 LEU 97 -2.113 2.779 -2.435 545 1HD2 LEU 97 HD21 LEU 97 -1.014 6.111 -1.647 546 2HD2 LEU 97 HD22 LEU 97 -0.216 4.819 -2.543 547 3HD2 LEU 97 HD23 LEU 97 -1.130 4.445 -1.082 548 H GLU 98 HN GLU 98 -2.106 6.142 -7.074 549 HA GLU 98 HA GLU 98 -2.775 8.871 -6.590 550 1HB GLU 98 HB2 GLU 98 -0.956 8.044 -8.127 551 2HB GLU 98 HB1 GLU 98 -2.211 7.607 -9.286 552 1HG GLU 98 HG2 GLU 98 -2.866 9.859 -9.604 553 2HG GLU 98 HG1 GLU 98 -2.032 10.394 -8.144 554 H ALA 99 HN ALA 99 -4.620 6.269 -7.921 555 HA ALA 99 HA ALA 99 -6.437 7.747 -9.559 556 1HB ALA 99 HB1 ALA 99 -7.829 5.820 -9.490 557 2HB ALA 99 HB2 ALA 99 -7.201 5.327 -7.918 558 3HB ALA 99 HB3 ALA 99 -6.186 5.195 -9.354 559 H LYS 100 HN LYS 100 -6.275 7.215 -6.080 560 HA LYS 100 HA LYS 100 -8.912 8.434 -5.632 561 1HB LYS 100 HB2 LYS 100 -6.856 7.074 -3.999 562 2HB LYS 100 HB1 LYS 100 -7.721 8.370 -3.172 563 1HG LYS 100 HG2 LYS 100 -9.016 6.403 -2.794 564 2HG LYS 100 HG1 LYS 100 -9.873 7.297 -4.051 565 1HD LYS 100 HD2 LYS 100 -9.117 5.853 -5.761 566 2HD LYS 100 HD1 LYS 100 -7.827 5.195 -4.753 567 1HE LYS 100 HE2 LYS 100 -9.230 3.505 -4.241 568 2HE LYS 100 HE1 LYS 100 -10.167 4.675 -3.313 569 1HZ LYS 100 HZ1 LYS 100 -10.704 4.846 -6.110 570 2HZ LYS 100 HZ2 LYS 100 -11.783 4.644 -4.813 571 3HZ LYS 100 HZ3 LYS 100 -11.024 3.293 -5.509 572 H GLY 101 HN GLY 101 -5.653 9.485 -5.975 573 1HA GLY 101 HA2 GLY 101 -4.823 11.693 -6.023 574 2HA GLY 101 HA1 GLY 101 -6.451 12.265 -5.655 575 H MET 102 HN MET 102 -4.998 9.842 -3.622 576 HA MET 102 HA MET 102 -5.198 11.626 -1.317 577 1HB MET 102 HB2 MET 102 -4.092 8.810 -1.552 578 2HB MET 102 HB1 MET 102 -4.409 9.659 -0.039 579 1HG MET 102 HG2 MET 102 -6.779 9.888 -1.547 580 2HG MET 102 HG1 MET 102 -6.259 8.213 -1.728 581 1HE MET 102 HE1 MET 102 -4.811 7.367 0.277 582 2HE MET 102 HE2 MET 102 -6.260 6.396 0.523 583 3HE MET 102 HE3 MET 102 -5.502 7.198 1.896 584 H LYS 103 HN LYS 103 -3.143 11.405 0.265 585 HA LYS 103 HA LYS 103 -0.867 12.478 -1.316 586 1HB LYS 103 HB2 LYS 103 -2.031 13.092 1.239 587 2HB LYS 103 HB1 LYS 103 -0.348 12.619 1.477 588 1HG LYS 103 HG2 LYS 103 0.283 14.216 -0.367 589 2HG LYS 103 HG1 LYS 103 -1.389 14.779 -0.375 590 1HD LYS 103 HD2 LYS 103 -1.225 15.536 1.908 591 2HD LYS 103 HD1 LYS 103 0.356 14.776 2.100 592 1HE LYS 103 HE2 LYS 103 1.337 16.297 0.471 593 2HE LYS 103 HE1 LYS 103 -0.244 17.000 0.129 594 1HZ LYS 103 HZ1 LYS 103 0.740 16.979 2.894 595 2HZ LYS 103 HZ2 LYS 103 -0.307 18.077 2.129 596 3HZ LYS 103 HZ3 LYS 103 1.362 18.129 1.815 597 H VAL 104 HN VAL 104 -0.026 10.446 -2.068 598 HA VAL 104 HA VAL 104 0.706 8.380 -0.122 599 HB VAL 104 HB VAL 104 1.761 8.486 -2.936 600 1HG1 VAL 104 HG11 VAL 104 0.779 6.293 -1.085 601 2HG1 VAL 104 HG12 VAL 104 2.457 6.635 -1.509 602 3HG1 VAL 104 HG13 VAL 104 1.344 6.030 -2.735 603 1HG2 VAL 104 HG21 VAL 104 -0.510 7.199 -3.392 604 2HG2 VAL 104 HG22 VAL 104 -0.451 8.959 -3.487 605 3HG2 VAL 104 HG23 VAL 104 -1.086 8.174 -2.040 606 H LYS 105 HN LYS 105 3.032 7.629 -0.015 607 HA LYS 105 HA LYS 105 4.928 9.925 -0.288 608 1HB LYS 105 HB2 LYS 105 4.016 9.105 2.121 609 2HB LYS 105 HB1 LYS 105 5.372 7.994 1.928 610 1HG LYS 105 HG2 LYS 105 6.880 9.894 1.500 611 2HG LYS 105 HG1 LYS 105 5.528 11.013 1.674 612 1HD LYS 105 HD2 LYS 105 5.193 10.265 3.996 613 2HD LYS 105 HD1 LYS 105 6.532 9.130 3.829 614 1HE LYS 105 HE2 LYS 105 8.057 11.032 3.349 615 2HE LYS 105 HE1 LYS 105 6.715 12.148 3.597 616 1HZ LYS 105 HZ1 LYS 105 7.253 12.119 5.734 617 2HZ LYS 105 HZ2 LYS 105 8.351 10.839 5.524 618 3HZ LYS 105 HZ3 LYS 105 6.706 10.515 5.799 619 H LEU 106 HN LEU 106 4.395 7.516 -1.985 620 HA LEU 106 HA LEU 106 5.587 5.742 -2.987 621 1HB LEU 106 HB2 LEU 106 7.110 8.147 -2.978 622 2HB LEU 106 HB1 LEU 106 8.230 6.817 -2.677 623 HG LEU 106 HG LEU 106 7.938 7.250 -5.106 624 1HD1 LEU 106 HD11 LEU 106 7.176 4.861 -5.677 625 2HD1 LEU 106 HD12 LEU 106 6.931 4.648 -3.944 626 3HD1 LEU 106 HD13 LEU 106 8.540 5.013 -4.569 627 1HD2 LEU 106 HD21 LEU 106 5.289 6.072 -5.317 628 2HD2 LEU 106 HD22 LEU 106 5.893 7.580 -6.006 629 3HD2 LEU 106 HD23 LEU 106 5.243 7.557 -4.366 630 H ALA 107 HN ALA 107 8.308 4.954 -2.478 631 HA ALA 107 HA ALA 107 7.886 3.591 0.130 632 1HB ALA 107 HB1 ALA 107 10.012 3.008 -1.946 633 2HB ALA 107 HB2 ALA 107 8.405 2.283 -1.987 634 3HB ALA 107 HB3 ALA 107 9.482 1.963 -0.627 635 H GLY 108 HN GLY 108 10.112 5.747 -1.553 636 1HA GLY 108 HA2 GLY 108 11.486 6.194 1.061 637 2HA GLY 108 HA1 GLY 108 12.429 6.009 -0.419 638 H GLY 109 HN GLY 109 11.463 8.324 1.605 639 1HA GLY 109 HA2 GLY 109 10.928 10.300 -0.577 640 2HA GLY 109 HA1 GLY 109 10.373 10.503 1.085 641 H LEU 110 HN LEU 110 13.041 9.396 2.037 642 HA LEU 110 HA LEU 110 14.824 11.658 1.289 643 1HB LEU 110 HB2 LEU 110 13.433 11.359 3.812 644 2HB LEU 110 HB1 LEU 110 15.178 11.285 4.060 645 HG LEU 110 HG LEU 110 13.812 13.439 2.426 646 1HD1 LEU 110 HD11 LEU 110 13.418 13.203 5.069 647 2HD1 LEU 110 HD12 LEU 110 13.636 14.773 4.296 648 3HD1 LEU 110 HD13 LEU 110 14.993 13.994 5.108 649 1HD2 LEU 110 HD21 LEU 110 16.489 13.711 3.727 650 2HD2 LEU 110 HD22 LEU 110 15.907 14.391 2.208 651 3HD2 LEU 110 HD23 LEU 110 16.379 12.694 2.291 652 H GLU 111 HN GLU 111 16.616 10.618 0.556 653 HA GLU 111 HA GLU 111 18.172 8.916 2.270 654 1HB GLU 111 HB2 GLU 111 16.430 7.265 1.708 655 2HB GLU 111 HB1 GLU 111 16.714 7.544 -0.011 656 1HG GLU 111 HG2 GLU 111 18.999 6.726 0.186 657 2HG GLU 111 HG1 GLU 111 18.824 6.563 1.933 Start of MODEL 3 1 HA LYS 29 HA LYS 29 -2.554 15.772 9.573 2 1HB LYS 29 HB2 LYS 29 -3.721 17.426 11.740 3 2HB LYS 29 HB1 LYS 29 -3.435 15.733 12.145 4 1HG LYS 29 HG2 LYS 29 -1.253 16.201 12.419 5 2HG LYS 29 HG1 LYS 29 -1.157 16.617 10.707 6 1HD LYS 29 HD2 LYS 29 -1.089 18.836 11.143 7 2HD LYS 29 HD1 LYS 29 -2.398 18.725 12.321 8 1HE LYS 29 HE2 LYS 29 -0.966 18.568 14.077 9 2HE LYS 29 HE1 LYS 29 0.126 17.490 13.208 10 1HZ LYS 29 HZ1 LYS 29 1.372 19.190 12.496 11 2HZ LYS 29 HZ2 LYS 29 0.664 20.051 13.779 12 3HZ LYS 29 HZ3 LYS 29 0.039 20.199 12.206 13 H GLY 30 HN GLY 30 -4.977 15.421 8.121 14 1HA GLY 30 HA2 GLY 30 -5.789 12.848 8.967 15 2HA GLY 30 HA1 GLY 30 -6.976 13.995 9.592 16 H ASP 31 HN ASP 31 -5.252 13.300 6.528 17 HA ASP 31 HA ASP 31 -7.803 13.966 5.112 18 1HB ASP 31 HB2 ASP 31 -4.944 14.172 4.115 19 2HB ASP 31 HB1 ASP 31 -6.382 14.528 3.158 20 H GLY 32 HN GLY 32 -4.811 12.097 4.460 21 1HA GLY 32 HA2 GLY 32 -5.816 9.524 4.435 22 2HA GLY 32 HA1 GLY 32 -6.289 10.162 2.859 23 H VAL 33 HN VAL 33 -4.022 8.280 4.147 24 HA VAL 33 HA VAL 33 -2.062 8.997 2.054 25 HB VAL 33 HB VAL 33 -0.993 8.495 4.814 26 1HG1 VAL 33 HG11 VAL 33 0.764 10.097 3.820 27 2HG1 VAL 33 HG12 VAL 33 -0.069 9.863 2.284 28 3HG1 VAL 33 HG13 VAL 33 0.660 8.486 3.111 29 1HG2 VAL 33 HG21 VAL 33 -1.894 11.182 3.724 30 2HG2 VAL 33 HG22 VAL 33 -0.960 10.945 5.202 31 3HG2 VAL 33 HG23 VAL 33 -2.610 10.332 5.093 32 H VAL 34 HN VAL 34 -0.687 7.208 1.507 33 HA VAL 34 HA VAL 34 -1.289 4.639 2.889 34 HB VAL 34 HB VAL 34 -1.468 5.157 -0.092 35 1HG1 VAL 34 HG11 VAL 34 -0.983 2.681 1.481 36 2HG1 VAL 34 HG12 VAL 34 -0.532 3.065 -0.180 37 3HG1 VAL 34 HG13 VAL 34 -2.182 2.567 0.193 38 1HG2 VAL 34 HG21 VAL 34 -3.758 4.252 0.222 39 2HG2 VAL 34 HG22 VAL 34 -3.495 5.700 1.193 40 3HG2 VAL 34 HG23 VAL 34 -3.452 4.109 1.953 41 H ARG 35 HN ARG 35 0.625 3.721 3.435 42 HA ARG 35 HA ARG 35 3.097 4.638 2.114 43 1HB ARG 35 HB2 ARG 35 2.454 3.017 4.561 44 2HB ARG 35 HB1 ARG 35 4.071 2.929 3.861 45 1HG ARG 35 HG2 ARG 35 4.397 5.298 4.110 46 2HG ARG 35 HG1 ARG 35 2.705 5.544 4.542 47 1HD ARG 35 HD2 ARG 35 3.184 3.925 6.508 48 2HD ARG 35 HD1 ARG 35 4.885 4.242 6.167 49 HE ARG 35 HE ARG 35 3.462 6.727 6.374 50 1HH1 ARG 35 HH11 ARG 35 2.334 5.503 8.780 51 2HH1 ARG 35 HH12 ARG 35 3.550 5.780 9.981 52 1HH2 ARG 35 HH21 ARG 35 6.046 6.473 7.676 53 2HH2 ARG 35 HH22 ARG 35 5.652 6.329 9.356 54 H ILE 36 HN ILE 36 3.603 3.627 0.227 55 HA ILE 36 HA ILE 36 3.131 0.676 0.066 56 HB ILE 36 HB ILE 36 3.329 2.681 -2.203 57 1HG1 ILE 36 HG12 ILE 36 0.826 1.180 -1.675 58 2HG1 ILE 36 HG11 ILE 36 1.227 2.425 -0.492 59 1HG2 ILE 36 HG21 ILE 36 3.262 0.919 -3.639 60 2HG2 ILE 36 HG22 ILE 36 2.126 0.022 -2.631 61 3HG2 ILE 36 HG23 ILE 36 3.851 -0.014 -2.263 62 1HD1 ILE 36 HD11 ILE 36 1.672 3.353 -3.218 63 2HD1 ILE 36 HD12 ILE 36 0.708 4.081 -1.934 64 3HD1 ILE 36 HD13 ILE 36 0.003 2.839 -2.969 65 H GLN 37 HN GLN 37 5.071 -0.285 0.511 66 HA GLN 37 HA GLN 37 7.455 0.719 -0.984 67 1HB GLN 37 HB2 GLN 37 8.865 0.370 0.936 68 2HB GLN 37 HB1 GLN 37 7.497 1.346 1.473 69 1HG GLN 37 HG2 GLN 37 6.476 -1.115 1.905 70 2HG GLN 37 HG1 GLN 37 8.190 -1.467 2.135 71 1HE2 GLN 37 HE21 GLN 37 5.408 -0.155 3.661 72 2HE2 GLN 37 HE22 GLN 37 6.187 0.528 5.005 73 H ARG 38 HN ARG 38 9.197 -1.321 -0.022 74 HA ARG 38 HA ARG 38 7.844 -3.809 -0.974 75 1HB ARG 38 HB2 ARG 38 9.946 -4.370 -2.201 76 2HB ARG 38 HB1 ARG 38 9.158 -2.925 -2.835 77 1HG ARG 38 HG2 ARG 38 10.686 -1.619 -1.204 78 2HG ARG 38 HG1 ARG 38 11.621 -3.111 -1.104 79 1HD ARG 38 HD2 ARG 38 10.904 -1.786 -3.730 80 2HD ARG 38 HD1 ARG 38 12.413 -1.472 -2.872 81 HE ARG 38 HE ARG 38 11.986 -4.311 -3.255 82 1HH1 ARG 38 HH11 ARG 38 14.324 -2.141 -3.684 83 2HH1 ARG 38 HH12 ARG 38 14.761 -2.569 -5.304 84 1HH2 ARG 38 HH21 ARG 38 11.960 -4.547 -5.819 85 2HH2 ARG 38 HH22 ARG 38 13.423 -3.931 -6.513 86 H GLN 39 HN GLN 39 8.250 -5.555 0.321 87 HA GLN 39 HA GLN 39 10.529 -5.338 2.247 88 1HB GLN 39 HB2 GLN 39 8.160 -5.027 3.217 89 2HB GLN 39 HB1 GLN 39 7.928 -6.741 2.873 90 1HG GLN 39 HG2 GLN 39 10.190 -7.051 4.141 91 2HG GLN 39 HG1 GLN 39 9.849 -5.448 4.794 92 1HE2 GLN 39 HE21 GLN 39 9.582 -6.551 6.947 93 2HE2 GLN 39 HE22 GLN 39 8.120 -7.338 7.299 94 H THR 40 HN THR 40 11.648 -6.602 0.512 95 HA THR 40 HA THR 40 10.770 -9.454 0.418 96 HB THR 40 HB THR 40 11.038 -8.688 -1.800 97 HG1 THR 40 HG1 THR 40 13.058 -9.663 -2.446 98 1HG2 THR 40 HG21 THR 40 12.006 -6.611 -1.809 99 2HG2 THR 40 HG22 THR 40 13.436 -7.544 -2.250 100 3HG2 THR 40 HG23 THR 40 13.191 -7.044 -0.577 101 H SER 41 HN SER 41 12.440 -7.847 2.506 102 HA SER 41 HA SER 41 15.118 -8.720 2.506 103 1HB SER 41 HB2 SER 41 13.562 -7.311 4.254 104 2HB SER 41 HB1 SER 41 13.760 -8.825 5.132 105 HG SER 41 HG SER 41 15.442 -7.205 5.461 106 H GLY 42 HN GLY 42 16.138 -10.583 3.426 107 1HA GLY 42 HA2 GLY 42 16.318 -12.851 4.011 108 2HA GLY 42 HA1 GLY 42 14.652 -12.763 4.585 109 H ARG 43 HN ARG 43 15.694 -14.989 3.133 110 HA ARG 43 HA ARG 43 14.562 -14.695 0.405 111 1HB ARG 43 HB2 ARG 43 16.466 -16.530 1.730 112 2HB ARG 43 HB1 ARG 43 15.377 -17.296 0.573 113 1HG ARG 43 HG2 ARG 43 16.025 -15.636 -1.137 114 2HG ARG 43 HG1 ARG 43 17.125 -14.881 0.017 115 1HD ARG 43 HD2 ARG 43 18.382 -17.003 0.201 116 2HD ARG 43 HD1 ARG 43 17.292 -17.744 -0.972 117 HE ARG 43 HE ARG 43 18.349 -15.404 -2.168 118 1HH1 ARG 43 HH21 ARG 43 19.878 -17.949 -0.505 119 2HH1 ARG 43 HH22 ARG 43 20.991 -18.318 -1.780 120 1HH2 ARG 43 HH11 ARG 43 19.570 -16.091 -4.026 121 2HH2 ARG 43 HH12 ARG 43 20.817 -17.267 -3.773 122 H LYS 44 HN LYS 44 12.383 -14.996 0.315 123 HA LYS 44 HA LYS 44 11.188 -17.490 1.088 124 1HB LYS 44 HB2 LYS 44 11.530 -15.990 3.289 125 2HB LYS 44 HB1 LYS 44 10.009 -15.296 2.727 126 1HG LYS 44 HG2 LYS 44 8.974 -17.506 2.675 127 2HG LYS 44 HG1 LYS 44 10.503 -18.261 3.125 128 1HD LYS 44 HD2 LYS 44 10.480 -16.956 5.251 129 2HD LYS 44 HD1 LYS 44 8.894 -16.321 4.811 130 1HE LYS 44 HE2 LYS 44 8.032 -18.659 4.690 131 2HE LYS 44 HE1 LYS 44 9.603 -19.237 5.245 132 1HZ LYS 44 HZ1 LYS 44 9.268 -18.445 7.328 133 2HZ LYS 44 HZ2 LYS 44 7.645 -18.722 6.908 134 3HZ LYS 44 HZ3 LYS 44 8.293 -17.154 6.819 135 H GLY 45 HN GLY 45 11.302 -15.569 -1.153 136 1HA GLY 45 HA2 GLY 45 8.912 -15.814 -2.404 137 2HA GLY 45 HA1 GLY 45 8.579 -14.461 -1.322 138 H LYS 46 HN LYS 46 8.591 -14.268 -4.187 139 HA LYS 46 HA LYS 46 11.094 -13.149 -5.110 140 1HB LYS 46 HB2 LYS 46 8.258 -13.093 -6.144 141 2HB LYS 46 HB1 LYS 46 9.541 -12.178 -6.937 142 1HG LYS 46 HG2 LYS 46 10.852 -14.229 -7.238 143 2HG LYS 46 HG1 LYS 46 9.614 -15.161 -6.394 144 1HD LYS 46 HD2 LYS 46 7.978 -14.638 -8.123 145 2HD LYS 46 HD1 LYS 46 9.134 -13.585 -8.939 146 1HE LYS 46 HE2 LYS 46 10.629 -15.517 -9.313 147 2HE LYS 46 HE1 LYS 46 9.462 -16.570 -8.513 148 1HZ LYS 46 HZ1 LYS 46 7.923 -16.286 -10.210 149 2HZ LYS 46 HZ2 LYS 46 9.398 -16.419 -11.044 150 3HZ LYS 46 HZ3 LYS 46 8.682 -14.895 -10.816 151 H GLY 47 HN GLY 47 8.033 -11.708 -3.962 152 1HA GLY 47 HA2 GLY 47 9.268 -9.521 -2.654 153 2HA GLY 47 HA1 GLY 47 8.846 -8.986 -4.281 154 H VAL 48 HN VAL 48 7.705 -8.290 -1.558 155 HA VAL 48 HA VAL 48 4.857 -8.768 -2.305 156 HB VAL 48 HB VAL 48 4.368 -8.961 0.172 157 1HG1 VAL 48 HG11 VAL 48 4.466 -10.934 -1.322 158 2HG1 VAL 48 HG12 VAL 48 5.053 -11.322 0.296 159 3HG1 VAL 48 HG13 VAL 48 6.198 -11.067 -1.021 160 1HG2 VAL 48 HG21 VAL 48 7.390 -9.226 0.254 161 2HG2 VAL 48 HG22 VAL 48 6.318 -9.650 1.589 162 3HG2 VAL 48 HG23 VAL 48 6.424 -7.977 1.039 163 H CYS 49 HN CYS 49 3.401 -7.102 -1.401 164 HA CYS 49 HA CYS 49 4.864 -4.536 -0.937 165 1HB CYS 49 HB2 CYS 49 2.723 -5.254 -2.726 166 2HB CYS 49 HB1 CYS 49 2.156 -4.020 -1.601 167 HG CYS 49 HG CYS 49 3.735 -3.301 -3.896 168 H LEU 50 HN LEU 50 4.848 -4.111 1.227 169 HA LEU 50 HA LEU 50 2.510 -4.939 2.849 170 1HB LEU 50 HB2 LEU 50 4.937 -5.304 3.581 171 2HB LEU 50 HB1 LEU 50 5.015 -3.559 3.834 172 HG LEU 50 HG LEU 50 2.800 -3.950 5.203 173 1HD1 LEU 50 HD11 LEU 50 3.760 -6.447 6.221 174 2HD1 LEU 50 HD12 LEU 50 3.538 -6.611 4.479 175 3HD1 LEU 50 HD13 LEU 50 2.192 -6.095 5.495 176 1HD2 LEU 50 HD21 LEU 50 5.388 -3.500 5.877 177 2HD2 LEU 50 HD22 LEU 50 5.141 -5.061 6.658 178 3HD2 LEU 50 HD23 LEU 50 4.105 -3.695 7.071 179 H ILE 51 HN ILE 51 0.966 -3.494 3.456 180 HA ILE 51 HA ILE 51 1.581 -0.586 3.103 181 HB ILE 51 HB ILE 51 -1.182 -1.782 2.872 182 1HG1 ILE 51 HG12 ILE 51 0.368 -2.875 1.230 183 2HG1 ILE 51 HG11 ILE 51 -0.877 -1.893 0.457 184 1HG2 ILE 51 HG21 ILE 51 -1.713 0.393 2.651 185 2HG2 ILE 51 HG22 ILE 51 -0.733 0.452 1.186 186 3HG2 ILE 51 HG23 ILE 51 -0.012 0.847 2.746 187 1HD1 ILE 51 HD11 ILE 51 0.700 -0.628 -0.525 188 2HD1 ILE 51 HD12 ILE 51 1.946 -1.647 0.196 189 3HD1 ILE 51 HD13 ILE 51 1.372 -0.216 1.053 190 H THR 52 HN THR 52 1.709 0.340 5.089 191 HA THR 52 HA THR 52 -0.395 -0.326 7.083 192 HB THR 52 HB THR 52 2.518 -0.110 7.870 193 HG1 THR 52 HG1 THR 52 1.002 -2.278 6.968 194 1HG2 THR 52 HG21 THR 52 1.683 -1.203 9.926 195 2HG2 THR 52 HG22 THR 52 0.052 -1.201 9.255 196 3HG2 THR 52 HG23 THR 52 0.856 0.325 9.625 197 H GLY 53 HN GLY 53 0.746 1.989 5.254 198 1HA GLY 53 HA2 GLY 53 1.070 4.056 7.365 199 2HA GLY 53 HA1 GLY 53 1.398 4.287 5.647 200 H VAL 54 HN VAL 54 -1.517 2.624 6.430 201 HA VAL 54 HA VAL 54 -3.089 4.831 5.303 202 HB VAL 54 HB VAL 54 -3.976 2.150 6.416 203 1HG1 VAL 54 HG11 VAL 54 -5.926 3.426 6.373 204 2HG1 VAL 54 HG12 VAL 54 -5.917 2.765 4.738 205 3HG1 VAL 54 HG13 VAL 54 -5.369 4.417 5.024 206 1HG2 VAL 54 HG21 VAL 54 -3.023 3.086 3.727 207 2HG2 VAL 54 HG22 VAL 54 -4.262 1.834 3.804 208 3HG2 VAL 54 HG23 VAL 54 -2.691 1.567 4.561 209 H ASP 55 HN ASP 55 -3.405 6.514 6.715 210 HA ASP 55 HA ASP 55 -4.063 5.880 9.547 211 1HB ASP 55 HB2 ASP 55 -2.281 7.549 9.138 212 2HB ASP 55 HB1 ASP 55 -3.426 8.540 8.233 213 H LEU 56 HN LEU 56 -6.255 5.196 9.161 214 HA LEU 56 HA LEU 56 -8.085 7.472 8.525 215 1HB LEU 56 HB2 LEU 56 -8.426 4.566 7.720 216 2HB LEU 56 HB1 LEU 56 -9.621 5.838 7.464 217 HG LEU 56 HG LEU 56 -6.813 6.180 6.440 218 1HD1 LEU 56 HD11 LEU 56 -7.318 5.051 4.414 219 2HD1 LEU 56 HD12 LEU 56 -9.034 4.945 4.806 220 3HD1 LEU 56 HD13 LEU 56 -7.867 3.954 5.680 221 1HD2 LEU 56 HD21 LEU 56 -7.715 8.064 5.595 222 2HD2 LEU 56 HD22 LEU 56 -9.231 7.673 6.407 223 3HD2 LEU 56 HD23 LEU 56 -8.948 7.124 4.755 224 H ASP 57 HN ASP 57 -10.485 6.311 9.161 225 HA ASP 57 HA ASP 57 -10.276 6.115 12.078 226 1HB ASP 57 HB2 ASP 57 -12.545 6.240 10.103 227 2HB ASP 57 HB1 ASP 57 -12.851 5.780 11.778 228 H ASP 58 HN ASP 58 -11.986 4.064 9.686 229 HA ASP 58 HA ASP 58 -10.724 1.627 10.432 230 1HB ASP 58 HB2 ASP 58 -12.369 2.526 12.471 231 2HB ASP 58 HB1 ASP 58 -13.409 1.405 11.591 232 H ALA 59 HN ALA 59 -13.976 2.922 9.680 233 HA ALA 59 HA ALA 59 -14.624 0.691 7.939 234 1HB ALA 59 HB1 ALA 59 -15.888 3.260 8.731 235 2HB ALA 59 HB2 ALA 59 -16.594 1.649 8.611 236 3HB ALA 59 HB3 ALA 59 -16.357 2.618 7.157 237 H GLU 60 HN GLU 60 -13.269 3.924 7.485 238 HA GLU 60 HA GLU 60 -13.437 3.896 4.601 239 1HB GLU 60 HB2 GLU 60 -12.135 5.568 6.678 240 2HB GLU 60 HB1 GLU 60 -11.366 5.581 5.091 241 1HG GLU 60 HG2 GLU 60 -13.314 6.388 4.022 242 2HG GLU 60 HG1 GLU 60 -14.345 5.955 5.386 243 H LEU 61 HN LEU 61 -11.159 2.622 6.937 244 HA LEU 61 HA LEU 61 -8.948 2.250 5.139 245 1HB LEU 61 HB2 LEU 61 -9.225 1.968 7.804 246 2HB LEU 61 HB1 LEU 61 -9.384 0.277 7.327 247 HG LEU 61 HG LEU 61 -7.199 1.705 5.963 248 1HD1 LEU 61 HD11 LEU 61 -5.793 2.078 7.787 249 2HD1 LEU 61 HD12 LEU 61 -6.700 0.988 8.837 250 3HD1 LEU 61 HD13 LEU 61 -7.352 2.579 8.443 251 1HD2 LEU 61 HD21 LEU 61 -6.906 -0.529 5.642 252 2HD2 LEU 61 HD22 LEU 61 -7.873 -0.950 7.055 253 3HD2 LEU 61 HD23 LEU 61 -6.178 -0.504 7.248 254 H THR 62 HN THR 62 -11.394 -0.093 6.319 255 HA THR 62 HA THR 62 -10.619 -2.214 4.591 256 HB THR 62 HB THR 62 -12.135 -2.536 6.510 257 HG1 THR 62 HG1 THR 62 -12.874 -4.163 5.441 258 1HG2 THR 62 HG21 THR 62 -14.448 -1.771 6.406 259 2HG2 THR 62 HG22 THR 62 -14.172 -1.070 4.811 260 3HG2 THR 62 HG23 THR 62 -13.368 -0.389 6.226 261 H LYS 63 HN LYS 63 -12.857 0.494 4.103 262 HA LYS 63 HA LYS 63 -14.010 -0.350 1.655 263 1HB LYS 63 HB2 LYS 63 -13.945 2.034 3.216 264 2HB LYS 63 HB1 LYS 63 -13.540 2.476 1.557 265 1HG LYS 63 HG2 LYS 63 -15.596 0.741 1.125 266 2HG LYS 63 HG1 LYS 63 -16.082 1.446 2.667 267 1HD LYS 63 HD2 LYS 63 -16.223 3.606 1.789 268 2HD LYS 63 HD1 LYS 63 -15.130 3.241 0.454 269 1HE LYS 63 HE2 LYS 63 -16.785 2.261 -0.818 270 2HE LYS 63 HE1 LYS 63 -17.693 1.716 0.592 271 1HZ LYS 63 HZ1 LYS 63 -17.716 4.447 0.756 272 2HZ LYS 63 HZ2 LYS 63 -19.001 3.457 0.250 273 3HZ LYS 63 HZ3 LYS 63 -17.945 4.135 -0.895 274 H LEU 64 HN LEU 64 -11.301 1.976 2.012 275 HA LEU 64 HA LEU 64 -10.531 2.091 -0.673 276 1HB LEU 64 HB2 LEU 64 -9.558 3.404 1.280 277 2HB LEU 64 HB1 LEU 64 -8.553 1.993 1.616 278 HG LEU 64 HG LEU 64 -8.496 2.741 -1.207 279 1HD1 LEU 64 HD11 LEU 64 -8.821 4.991 -0.054 280 2HD1 LEU 64 HD12 LEU 64 -7.347 4.835 -1.010 281 3HD1 LEU 64 HD13 LEU 64 -7.276 4.704 0.747 282 1HD2 LEU 64 HD21 LEU 64 -6.865 1.222 -0.351 283 2HD2 LEU 64 HD22 LEU 64 -6.488 2.280 1.009 284 3HD2 LEU 64 HD23 LEU 64 -5.997 2.733 -0.624 285 H ALA 65 HN ALA 65 -9.389 -0.239 1.789 286 HA ALA 65 HA ALA 65 -7.597 -1.713 0.228 287 1HB ALA 65 HB1 ALA 65 -9.584 -2.927 2.168 288 2HB ALA 65 HB2 ALA 65 -8.114 -2.090 2.667 289 3HB ALA 65 HB3 ALA 65 -8.005 -3.574 1.720 290 H ALA 66 HN ALA 66 -11.143 -2.013 0.358 291 HA ALA 66 HA ALA 66 -11.272 -4.258 -1.446 292 1HB ALA 66 HB1 ALA 66 -13.677 -2.919 -1.747 293 2HB ALA 66 HB2 ALA 66 -13.155 -2.433 -0.134 294 3HB ALA 66 HB3 ALA 66 -13.337 -4.143 -0.524 295 H GLU 67 HN GLU 67 -11.274 -0.751 -1.906 296 HA GLU 67 HA GLU 67 -12.000 -0.801 -4.689 297 1HB GLU 67 HB2 GLU 67 -11.483 1.169 -2.779 298 2HB GLU 67 HB1 GLU 67 -10.196 1.374 -3.968 299 1HG GLU 67 HG2 GLU 67 -11.975 1.311 -5.767 300 2HG GLU 67 HG1 GLU 67 -13.181 1.373 -4.481 301 H LEU 68 HN LEU 68 -8.961 -1.229 -2.975 302 HA LEU 68 HA LEU 68 -7.336 -1.003 -5.395 303 1HB LEU 68 HB2 LEU 68 -6.874 -1.176 -2.564 304 2HB LEU 68 HB1 LEU 68 -5.935 -2.430 -3.374 305 HG LEU 68 HG LEU 68 -5.712 -0.092 -4.964 306 1HD1 LEU 68 HD11 LEU 68 -5.499 0.386 -1.994 307 2HD1 LEU 68 HD12 LEU 68 -6.301 1.377 -3.212 308 3HD1 LEU 68 HD13 LEU 68 -4.540 1.326 -3.137 309 1HD2 LEU 68 HD21 LEU 68 -3.609 -0.906 -4.999 310 2HD2 LEU 68 HD22 LEU 68 -4.101 -2.104 -3.802 311 3HD2 LEU 68 HD23 LEU 68 -3.411 -0.568 -3.279 312 H LYS 69 HN LYS 69 -8.819 -3.594 -3.512 313 HA LYS 69 HA LYS 69 -7.477 -5.718 -4.990 314 1HB LYS 69 HB2 LYS 69 -8.699 -5.689 -2.600 315 2HB LYS 69 HB1 LYS 69 -10.059 -6.228 -3.586 316 1HG LYS 69 HG2 LYS 69 -8.573 -8.011 -4.547 317 2HG LYS 69 HG1 LYS 69 -7.329 -7.529 -3.392 318 1HD LYS 69 HD2 LYS 69 -8.662 -9.449 -2.557 319 2HD LYS 69 HD1 LYS 69 -8.839 -8.030 -1.524 320 1HE LYS 69 HE2 LYS 69 -11.036 -7.747 -2.066 321 2HE LYS 69 HE1 LYS 69 -10.783 -8.217 -3.747 322 1HZ LYS 69 HZ1 LYS 69 -12.079 -9.897 -2.726 323 2HZ LYS 69 HZ2 LYS 69 -11.031 -10.003 -1.394 324 3HZ LYS 69 HZ3 LYS 69 -10.522 -10.539 -2.924 325 H LYS 70 HN LYS 70 -9.995 -3.583 -5.716 326 HA LYS 70 HA LYS 70 -11.714 -5.323 -7.242 327 1HB LYS 70 HB2 LYS 70 -11.239 -2.342 -7.209 328 2HB LYS 70 HB1 LYS 70 -12.331 -3.079 -8.381 329 1HG LYS 70 HG2 LYS 70 -13.091 -4.272 -6.002 330 2HG LYS 70 HG1 LYS 70 -12.714 -2.620 -5.511 331 1HD LYS 70 HD2 LYS 70 -14.273 -2.889 -8.019 332 2HD LYS 70 HD1 LYS 70 -15.116 -3.350 -6.540 333 1HE LYS 70 HE2 LYS 70 -15.273 -1.206 -5.841 334 2HE LYS 70 HE1 LYS 70 -13.586 -0.875 -6.232 335 1HZ LYS 70 HZ1 LYS 70 -15.389 0.341 -7.546 336 2HZ LYS 70 HZ2 LYS 70 -15.617 -1.134 -8.357 337 3HZ LYS 70 HZ3 LYS 70 -14.109 -0.354 -8.415 338 H LYS 71 HN LYS 71 -8.906 -3.307 -8.086 339 HA LYS 71 HA LYS 71 -8.971 -4.471 -10.831 340 1HB LYS 71 HB2 LYS 71 -8.014 -1.929 -9.658 341 2HB LYS 71 HB1 LYS 71 -6.957 -2.630 -10.884 342 1HG LYS 71 HG2 LYS 71 -8.959 -2.851 -12.388 343 2HG LYS 71 HG1 LYS 71 -9.898 -1.964 -11.186 344 1HD LYS 71 HD2 LYS 71 -8.625 0.010 -11.479 345 2HD LYS 71 HD1 LYS 71 -7.323 -0.852 -12.299 346 1HE LYS 71 HE2 LYS 71 -8.917 -1.368 -14.165 347 2HE LYS 71 HE1 LYS 71 -10.113 -0.345 -13.369 348 1HZ LYS 71 HZ1 LYS 71 -8.397 1.455 -13.436 349 2HZ LYS 71 HZ2 LYS 71 -9.012 0.991 -14.950 350 3HZ LYS 71 HZ3 LYS 71 -7.476 0.459 -14.454 351 H CYS 72 HN CYS 72 -7.723 -5.288 -7.948 352 HA CYS 72 HA CYS 72 -4.942 -5.771 -8.725 353 1HB CYS 72 HB2 CYS 72 -5.419 -5.354 -6.382 354 2HB CYS 72 HB1 CYS 72 -6.587 -6.676 -6.344 355 HG CYS 72 HG CYS 72 -4.504 -7.851 -5.512 356 H GLY 73 HN GLY 73 -7.544 -8.019 -7.699 357 1HA GLY 73 HA2 GLY 73 -8.227 -9.993 -8.882 358 2HA GLY 73 HA1 GLY 73 -6.835 -9.805 -9.950 359 H CYS 74 HN CYS 74 -6.249 -9.452 -6.574 360 HA CYS 74 HA CYS 74 -5.773 -12.195 -5.887 361 1HB CYS 74 HB2 CYS 74 -3.993 -12.141 -7.519 362 2HB CYS 74 HB1 CYS 74 -3.400 -10.601 -6.895 363 HG CYS 74 HG CYS 74 -2.892 -11.970 -4.599 364 H GLY 75 HN GLY 75 -6.711 -11.428 -3.925 365 1HA GLY 75 HA2 GLY 75 -5.222 -9.333 -2.441 366 2HA GLY 75 HA1 GLY 75 -6.801 -9.982 -1.994 367 H GLY 76 HN GLY 76 -4.573 -9.763 -0.198 368 1HA GLY 76 HA2 GLY 76 -3.964 -12.658 0.258 369 2HA GLY 76 HA1 GLY 76 -2.861 -11.360 0.716 370 H ALA 77 HN ALA 77 -3.431 -10.007 2.519 371 HA ALA 77 HA ALA 77 -5.727 -10.985 4.158 372 1HB ALA 77 HB1 ALA 77 -3.839 -12.049 5.171 373 2HB ALA 77 HB2 ALA 77 -4.198 -10.647 6.179 374 3HB ALA 77 HB3 ALA 77 -2.858 -10.590 5.035 375 H VAL 78 HN VAL 78 -6.974 -9.298 4.836 376 HA VAL 78 HA VAL 78 -5.697 -6.596 4.960 377 HB VAL 78 HB VAL 78 -8.451 -7.294 3.897 378 1HG1 VAL 78 HG11 VAL 78 -8.272 -5.138 5.215 379 2HG1 VAL 78 HG12 VAL 78 -8.750 -4.932 3.529 380 3HG1 VAL 78 HG13 VAL 78 -7.092 -4.590 4.025 381 1HG2 VAL 78 HG21 VAL 78 -6.727 -5.769 2.147 382 2HG2 VAL 78 HG22 VAL 78 -7.488 -7.333 1.858 383 3HG2 VAL 78 HG23 VAL 78 -5.914 -7.251 2.650 384 H LYS 79 HN LYS 79 -5.510 -7.022 7.286 385 HA LYS 79 HA LYS 79 -8.067 -7.226 8.775 386 1HB LYS 79 HB2 LYS 79 -5.243 -7.085 9.871 387 2HB LYS 79 HB1 LYS 79 -6.696 -7.594 10.734 388 1HG LYS 79 HG2 LYS 79 -6.890 -9.368 8.812 389 2HG LYS 79 HG1 LYS 79 -5.172 -9.040 8.585 390 1HD LYS 79 HD2 LYS 79 -4.820 -9.499 11.026 391 2HD LYS 79 HD1 LYS 79 -6.513 -9.980 11.136 392 1HE LYS 79 HE2 LYS 79 -6.158 -11.761 9.510 393 2HE LYS 79 HE1 LYS 79 -4.492 -11.240 9.260 394 1HZ LYS 79 HZ1 LYS 79 -5.155 -11.715 12.017 395 2HZ LYS 79 HZ2 LYS 79 -3.821 -12.251 11.112 396 3HZ LYS 79 HZ3 LYS 79 -5.292 -13.100 11.048 397 H ASP 80 HN ASP 80 -8.586 -5.622 10.431 398 HA ASP 80 HA ASP 80 -8.236 -2.922 9.548 399 1HB ASP 80 HB2 ASP 80 -9.271 -2.308 11.721 400 2HB ASP 80 HB1 ASP 80 -10.161 -3.598 10.912 401 H GLY 81 HN GLY 81 -6.178 -2.095 9.492 402 1HA GLY 81 HA2 GLY 81 -4.699 -0.845 11.190 403 2HA GLY 81 HA1 GLY 81 -4.494 -2.429 11.939 404 H VAL 82 HN VAL 82 -4.501 -3.723 9.213 405 HA VAL 82 HA VAL 82 -2.015 -2.666 8.014 406 HB VAL 82 HB VAL 82 -2.219 -5.462 9.172 407 1HG1 VAL 82 HG11 VAL 82 0.346 -5.229 8.433 408 2HG1 VAL 82 HG12 VAL 82 -0.369 -4.156 7.229 409 3HG1 VAL 82 HG13 VAL 82 -0.887 -5.839 7.330 410 1HG2 VAL 82 HG21 VAL 82 -0.617 -3.000 9.912 411 2HG2 VAL 82 HG22 VAL 82 -0.192 -4.617 10.473 412 3HG2 VAL 82 HG23 VAL 82 -1.738 -3.903 10.931 413 H ILE 83 HN ILE 83 -1.653 -3.503 5.881 414 HA ILE 83 HA ILE 83 -3.712 -5.345 4.794 415 HB ILE 83 HB ILE 83 -3.062 -2.724 3.427 416 1HG1 ILE 83 HG12 ILE 83 -5.413 -3.426 5.215 417 2HG1 ILE 83 HG11 ILE 83 -4.169 -2.223 5.558 418 1HG2 ILE 83 HG21 ILE 83 -4.805 -3.291 1.947 419 2HG2 ILE 83 HG22 ILE 83 -5.489 -4.474 3.062 420 3HG2 ILE 83 HG23 ILE 83 -3.986 -4.830 2.212 421 1HD1 ILE 83 HD11 ILE 83 -5.320 -0.678 4.400 422 2HD1 ILE 83 HD12 ILE 83 -6.587 -1.866 4.094 423 3HD1 ILE 83 HD13 ILE 83 -5.249 -1.691 2.958 424 H GLU 84 HN GLU 84 -2.600 -6.881 3.688 425 HA GLU 84 HA GLU 84 0.016 -6.097 2.470 426 1HB GLU 84 HB2 GLU 84 -0.564 -8.148 4.273 427 2HB GLU 84 HB1 GLU 84 -0.447 -8.966 2.714 428 1HG GLU 84 HG2 GLU 84 1.713 -7.569 2.381 429 2HG GLU 84 HG1 GLU 84 1.636 -7.305 4.124 430 H ILE 85 HN ILE 85 0.179 -6.249 0.281 431 HA ILE 85 HA ILE 85 -1.895 -7.852 -1.160 432 HB ILE 85 HB ILE 85 -0.767 -5.132 -1.886 433 1HG1 ILE 85 HG12 ILE 85 -2.644 -5.271 -0.194 434 2HG1 ILE 85 HG11 ILE 85 -3.052 -4.377 -1.659 435 1HG2 ILE 85 HG21 ILE 85 -0.953 -6.066 -3.991 436 2HG2 ILE 85 HG22 ILE 85 -2.622 -5.544 -3.762 437 3HG2 ILE 85 HG23 ILE 85 -2.178 -7.228 -3.482 438 1HD1 ILE 85 HD11 ILE 85 -4.582 -6.391 -0.636 439 2HD1 ILE 85 HD12 ILE 85 -3.583 -7.283 -1.784 440 3HD1 ILE 85 HD13 ILE 85 -4.572 -5.932 -2.339 441 H GLN 86 HN GLN 86 -1.137 -8.986 -2.991 442 HA GLN 86 HA GLN 86 1.826 -9.214 -3.136 443 1HB GLN 86 HB2 GLN 86 -0.098 -11.157 -2.995 444 2HB GLN 86 HB1 GLN 86 0.172 -11.065 -4.736 445 1HG GLN 86 HG2 GLN 86 2.274 -11.521 -2.600 446 2HG GLN 86 HG1 GLN 86 1.721 -12.687 -3.803 447 1HE2 GLN 86 HE21 GLN 86 2.225 -12.168 -6.124 448 2HE2 GLN 86 HE22 GLN 86 3.567 -11.192 -6.483 449 H GLY 87 HN GLY 87 2.716 -7.908 -4.663 450 1HA GLY 87 HA2 GLY 87 1.785 -8.081 -7.427 451 2HA GLY 87 HA1 GLY 87 1.534 -6.493 -6.702 452 H ASP 88 HN ASP 88 3.863 -6.429 -5.062 453 HA ASP 88 HA ASP 88 6.087 -5.697 -5.242 454 1HB ASP 88 HB2 ASP 88 6.331 -8.179 -5.630 455 2HB ASP 88 HB1 ASP 88 6.266 -7.855 -7.363 456 H LYS 89 HN LYS 89 4.689 -3.871 -6.455 457 HA LYS 89 HA LYS 89 6.265 -3.209 -8.858 458 1HB LYS 89 HB2 LYS 89 3.497 -4.129 -8.969 459 2HB LYS 89 HB1 LYS 89 3.682 -2.513 -9.653 460 1HG LYS 89 HG2 LYS 89 5.424 -3.282 -11.153 461 2HG LYS 89 HG1 LYS 89 5.437 -4.872 -10.389 462 1HD LYS 89 HD2 LYS 89 3.220 -5.361 -11.183 463 2HD LYS 89 HD1 LYS 89 2.989 -3.701 -11.732 464 1HE LYS 89 HE2 LYS 89 4.442 -3.959 -13.549 465 2HE LYS 89 HE1 LYS 89 5.272 -5.331 -12.815 466 1HZ LYS 89 HZ1 LYS 89 2.452 -5.370 -13.742 467 2HZ LYS 89 HZ2 LYS 89 3.347 -6.690 -13.156 468 3HZ LYS 89 HZ3 LYS 89 3.765 -5.967 -14.636 469 H ARG 90 HN ARG 90 6.822 -1.791 -6.823 470 HA ARG 90 HA ARG 90 5.057 0.207 -5.870 471 1HB ARG 90 HB2 ARG 90 7.097 1.471 -5.277 472 2HB ARG 90 HB1 ARG 90 7.263 -0.234 -4.857 473 1HG ARG 90 HG2 ARG 90 8.399 -0.563 -7.106 474 2HG ARG 90 HG1 ARG 90 8.436 1.194 -7.254 475 1HD ARG 90 HD2 ARG 90 9.593 1.232 -4.981 476 2HD ARG 90 HD1 ARG 90 9.780 -0.513 -5.150 477 HE ARG 90 HE ARG 90 11.585 1.238 -6.259 478 1HH1 ARG 90 HH21 ARG 90 10.158 -1.691 -7.007 479 2HH1 ARG 90 HH22 ARG 90 10.633 -1.705 -8.673 480 1HH2 ARG 90 HH11 ARG 90 11.814 1.555 -8.639 481 2HH2 ARG 90 HH12 ARG 90 11.571 0.132 -9.597 482 H ASP 91 HN ASP 91 6.848 -0.015 -8.876 483 HA ASP 91 HA ASP 91 6.808 2.684 -9.704 484 1HB ASP 91 HB2 ASP 91 7.696 0.443 -10.858 485 2HB ASP 91 HB1 ASP 91 6.161 0.573 -11.717 486 H LEU 92 HN LEU 92 4.335 0.165 -10.320 487 HA LEU 92 HA LEU 92 2.466 2.033 -11.486 488 1HB LEU 92 HB2 LEU 92 2.275 -0.329 -12.007 489 2HB LEU 92 HB1 LEU 92 2.076 -0.730 -10.300 490 HG LEU 92 HG LEU 92 0.163 1.288 -11.214 491 1HD1 LEU 92 HD11 LEU 92 -1.070 0.027 -12.759 492 2HD1 LEU 92 HD12 LEU 92 -0.292 -1.485 -12.291 493 3HD1 LEU 92 HD13 LEU 92 0.592 -0.298 -13.251 494 1HD2 LEU 92 HD21 LEU 92 -1.327 0.011 -9.887 495 2HD2 LEU 92 HD22 LEU 92 0.229 -0.177 -9.078 496 3HD2 LEU 92 HD23 LEU 92 -0.391 -1.467 -10.109 497 H LEU 93 HN LEU 93 2.838 0.636 -8.231 498 HA LEU 93 HA LEU 93 0.507 1.680 -7.040 499 1HB LEU 93 HB2 LEU 93 3.265 1.098 -5.974 500 2HB LEU 93 HB1 LEU 93 2.026 1.792 -4.928 501 HG LEU 93 HG LEU 93 1.125 -0.502 -6.556 502 1HD1 LEU 93 HD11 LEU 93 2.227 -1.972 -4.630 503 2HD1 LEU 93 HD12 LEU 93 3.425 -0.677 -4.648 504 3HD1 LEU 93 HD13 LEU 93 3.110 -1.609 -6.113 505 1HD2 LEU 93 HD21 LEU 93 0.462 0.883 -4.138 506 2HD2 LEU 93 HD22 LEU 93 0.774 -0.806 -3.737 507 3HD2 LEU 93 HD23 LEU 93 -0.445 -0.397 -4.944 508 H LYS 94 HN LYS 94 3.435 3.304 -8.033 509 HA LYS 94 HA LYS 94 3.149 5.676 -6.450 510 1HB LYS 94 HB2 LYS 94 5.227 5.149 -7.659 511 2HB LYS 94 HB1 LYS 94 4.384 5.324 -9.199 512 1HG LYS 94 HG2 LYS 94 3.900 7.678 -8.687 513 2HG LYS 94 HG1 LYS 94 4.703 7.514 -7.125 514 1HD LYS 94 HD2 LYS 94 6.816 6.938 -8.284 515 2HD LYS 94 HD1 LYS 94 6.009 7.149 -9.838 516 1HE LYS 94 HE2 LYS 94 5.585 9.494 -9.358 517 2HE LYS 94 HE1 LYS 94 6.231 9.313 -7.726 518 1HZ LYS 94 HZ1 LYS 94 8.379 9.004 -8.530 519 2HZ LYS 94 HZ2 LYS 94 7.765 10.256 -9.500 520 3HZ LYS 94 HZ3 LYS 94 7.856 8.673 -10.109 521 H SER 95 HN SER 95 2.424 5.294 -9.942 522 HA SER 95 HA SER 95 0.844 7.676 -10.082 523 1HB SER 95 HB2 SER 95 1.864 6.045 -11.955 524 2HB SER 95 HB1 SER 95 0.223 5.407 -11.917 525 HG SER 95 HG SER 95 0.624 7.215 -13.390 526 H LEU 96 HN LEU 96 0.187 4.621 -8.717 527 HA LEU 96 HA LEU 96 -2.671 4.549 -9.162 528 1HB LEU 96 HB2 LEU 96 -1.592 2.494 -8.551 529 2HB LEU 96 HB1 LEU 96 -0.871 3.227 -7.117 530 HG LEU 96 HG LEU 96 -3.855 3.250 -7.406 531 1HD1 LEU 96 HD11 LEU 96 -2.209 0.861 -7.306 532 2HD1 LEU 96 HD12 LEU 96 -3.961 0.998 -7.453 533 3HD1 LEU 96 HD13 LEU 96 -3.207 0.995 -5.859 534 1HD2 LEU 96 HD21 LEU 96 -3.250 2.680 -4.818 535 2HD2 LEU 96 HD22 LEU 96 -3.359 4.325 -5.446 536 3HD2 LEU 96 HD23 LEU 96 -1.786 3.540 -5.297 537 H LEU 97 HN LEU 97 -0.756 5.367 -6.240 538 HA LEU 97 HA LEU 97 -3.047 6.474 -4.865 539 1HB LEU 97 HB2 LEU 97 -0.416 5.787 -4.184 540 2HB LEU 97 HB1 LEU 97 -0.497 7.535 -3.955 541 HG LEU 97 HG LEU 97 -2.851 6.840 -2.835 542 1HD1 LEU 97 HD11 LEU 97 -2.002 4.374 -3.349 543 2HD1 LEU 97 HD12 LEU 97 -2.863 4.739 -1.853 544 3HD1 LEU 97 HD13 LEU 97 -1.103 4.616 -1.850 545 1HD2 LEU 97 HD21 LEU 97 -0.220 6.594 -1.351 546 2HD2 LEU 97 HD22 LEU 97 -1.767 7.143 -0.706 547 3HD2 LEU 97 HD23 LEU 97 -0.893 8.139 -1.870 548 H GLU 98 HN GLU 98 -0.580 7.781 -7.001 549 HA GLU 98 HA GLU 98 -1.008 10.555 -6.422 550 1HB GLU 98 HB2 GLU 98 0.853 9.379 -7.848 551 2HB GLU 98 HB1 GLU 98 -0.292 9.580 -9.175 552 1HG GLU 98 HG2 GLU 98 -0.427 12.014 -8.640 553 2HG GLU 98 HG1 GLU 98 0.811 11.781 -7.406 554 H ALA 99 HN ALA 99 -2.925 8.222 -8.072 555 HA ALA 99 HA ALA 99 -4.326 9.948 -9.883 556 1HB ALA 99 HB1 ALA 99 -5.524 7.543 -8.495 557 2HB ALA 99 HB2 ALA 99 -4.361 7.386 -9.811 558 3HB ALA 99 HB3 ALA 99 -5.911 8.178 -10.095 559 H LYS 100 HN LYS 100 -4.824 9.129 -6.470 560 HA LYS 100 HA LYS 100 -7.303 10.693 -6.328 561 1HB LYS 100 HB2 LYS 100 -5.706 8.994 -4.484 562 2HB LYS 100 HB1 LYS 100 -6.644 10.288 -3.737 563 1HG LYS 100 HG2 LYS 100 -8.674 9.390 -4.398 564 2HG LYS 100 HG1 LYS 100 -7.978 8.586 -5.805 565 1HD LYS 100 HD2 LYS 100 -8.595 6.938 -4.081 566 2HD LYS 100 HD1 LYS 100 -6.848 6.967 -4.320 567 1HE LYS 100 HE2 LYS 100 -7.407 6.944 -1.916 568 2HE LYS 100 HE1 LYS 100 -6.600 8.448 -2.362 569 1HZ LYS 100 HZ1 LYS 100 -9.531 8.310 -2.465 570 2HZ LYS 100 HZ2 LYS 100 -8.522 9.648 -2.181 571 3HZ LYS 100 HZ3 LYS 100 -8.771 8.493 -0.960 572 H GLY 101 HN GLY 101 -3.892 11.111 -5.499 573 1HA GLY 101 HA2 GLY 101 -2.945 13.385 -5.607 574 2HA GLY 101 HA1 GLY 101 -4.483 13.995 -4.995 575 H MET 102 HN MET 102 -3.357 11.092 -3.540 576 HA MET 102 HA MET 102 -2.885 12.567 -1.020 577 1HB MET 102 HB2 MET 102 -2.816 9.571 -1.441 578 2HB MET 102 HB1 MET 102 -3.067 10.443 0.071 579 1HG MET 102 HG2 MET 102 -5.064 11.449 -1.565 580 2HG MET 102 HG1 MET 102 -5.000 9.746 -2.017 581 1HE MET 102 HE1 MET 102 -5.189 7.732 -0.261 582 2HE MET 102 HE2 MET 102 -5.156 8.006 1.479 583 3HE MET 102 HE3 MET 102 -3.788 8.509 0.490 584 H LYS 103 HN LYS 103 -0.968 11.782 0.335 585 HA LYS 103 HA LYS 103 1.448 11.950 -1.323 586 1HB LYS 103 HB2 LYS 103 0.761 12.708 1.296 587 2HB LYS 103 HB1 LYS 103 1.944 11.413 1.484 588 1HG LYS 103 HG2 LYS 103 3.350 12.645 -0.269 589 2HG LYS 103 HG1 LYS 103 2.257 14.009 -0.031 590 1HD LYS 103 HD2 LYS 103 2.759 13.832 2.455 591 2HD LYS 103 HD1 LYS 103 4.042 12.697 2.031 592 1HE LYS 103 HE2 LYS 103 5.412 14.392 1.478 593 2HE LYS 103 HE1 LYS 103 4.223 15.016 0.334 594 1HZ LYS 103 HZ1 LYS 103 3.133 15.746 2.652 595 2HZ LYS 103 HZ2 LYS 103 4.179 16.737 1.751 596 3HZ LYS 103 HZ3 LYS 103 4.777 15.833 3.059 597 H VAL 104 HN VAL 104 3.205 10.363 -1.133 598 HA VAL 104 HA VAL 104 2.319 7.665 -0.223 599 HB VAL 104 HB VAL 104 3.622 8.303 -2.888 600 1HG1 VAL 104 HG11 VAL 104 4.519 6.225 -2.104 601 2HG1 VAL 104 HG12 VAL 104 3.235 5.807 -3.239 602 3HG1 VAL 104 HG13 VAL 104 2.947 5.698 -1.502 603 1HG2 VAL 104 HG21 VAL 104 1.562 8.080 -3.843 604 2HG2 VAL 104 HG22 VAL 104 0.970 8.480 -2.231 605 3HG2 VAL 104 HG23 VAL 104 1.084 6.794 -2.735 606 H LYS 105 HN LYS 105 3.830 6.859 1.145 607 HA LYS 105 HA LYS 105 6.559 8.036 1.087 608 1HB LYS 105 HB2 LYS 105 4.793 7.002 3.153 609 2HB LYS 105 HB1 LYS 105 6.381 6.237 3.230 610 1HG LYS 105 HG2 LYS 105 6.724 9.045 2.726 611 2HG LYS 105 HG1 LYS 105 5.666 8.837 4.123 612 1HD LYS 105 HD2 LYS 105 7.379 7.141 4.984 613 2HD LYS 105 HD1 LYS 105 8.462 7.756 3.734 614 1HE LYS 105 HE2 LYS 105 7.531 10.079 4.882 615 2HE LYS 105 HE1 LYS 105 7.634 8.996 6.270 616 1HZ LYS 105 HZ1 LYS 105 9.852 9.186 4.334 617 2HZ LYS 105 HZ2 LYS 105 9.887 8.661 5.950 618 3HZ LYS 105 HZ3 LYS 105 9.707 10.312 5.594 619 H LEU 106 HN LEU 106 7.367 6.861 -0.745 620 HA LEU 106 HA LEU 106 7.188 4.162 -1.332 621 1HB LEU 106 HB2 LEU 106 9.564 6.025 -1.510 622 2HB LEU 106 HB1 LEU 106 9.617 4.375 -2.132 623 HG LEU 106 HG LEU 106 7.384 6.238 -2.916 624 1HD1 LEU 106 HD11 LEU 106 9.131 6.257 -5.050 625 2HD1 LEU 106 HD12 LEU 106 10.222 6.387 -3.671 626 3HD1 LEU 106 HD13 LEU 106 8.936 7.574 -3.893 627 1HD2 LEU 106 HD21 LEU 106 8.428 3.585 -3.681 628 2HD2 LEU 106 HD22 LEU 106 8.026 4.629 -5.044 629 3HD2 LEU 106 HD23 LEU 106 6.798 4.239 -3.839 630 H ALA 107 HN ALA 107 9.150 5.666 1.202 631 HA ALA 107 HA ALA 107 10.142 4.693 3.097 632 1HB ALA 107 HB1 ALA 107 8.891 3.046 4.000 633 2HB ALA 107 HB2 ALA 107 9.294 1.942 2.685 634 3HB ALA 107 HB3 ALA 107 7.939 3.059 2.515 635 H GLY 108 HN GLY 108 12.196 4.963 1.959 636 1HA GLY 108 HA2 GLY 108 13.701 2.521 1.768 637 2HA GLY 108 HA1 GLY 108 13.349 3.139 0.153 638 H GLY 109 HN GLY 109 15.338 3.498 2.931 639 1HA GLY 109 HA2 GLY 109 17.290 4.785 3.206 640 2HA GLY 109 HA1 GLY 109 17.093 5.338 1.542 641 H LEU 110 HN LEU 110 17.899 7.260 3.216 642 HA LEU 110 HA LEU 110 15.525 9.013 3.375 643 1HB LEU 110 HB2 LEU 110 16.102 9.722 5.692 644 2HB LEU 110 HB1 LEU 110 15.617 8.028 5.615 645 HG LEU 110 HG LEU 110 18.365 7.962 5.147 646 1HD1 LEU 110 HD11 LEU 110 17.684 10.371 6.588 647 2HD1 LEU 110 HD12 LEU 110 19.273 9.799 6.080 648 3HD1 LEU 110 HD13 LEU 110 18.607 9.289 7.631 649 1HD2 LEU 110 HD21 LEU 110 18.309 6.520 6.927 650 2HD2 LEU 110 HD22 LEU 110 16.565 6.712 6.751 651 3HD2 LEU 110 HD23 LEU 110 17.440 7.662 7.953 652 H GLU 111 HN GLU 111 16.077 11.207 3.129 653 HA GLU 111 HA GLU 111 18.783 11.695 2.097 654 1HB GLU 111 HB2 GLU 111 16.564 12.648 1.158 655 2HB GLU 111 HB1 GLU 111 16.651 13.793 2.497 656 1HG GLU 111 HG2 GLU 111 19.005 14.350 1.728 657 2HG GLU 111 HG1 GLU 111 18.671 13.403 0.278 Start of MODEL 4 1 HA LYS 29 HA LYS 29 -7.590 20.348 2.108 2 1HB LYS 29 HB2 LYS 29 -10.338 19.089 2.370 3 2HB LYS 29 HB1 LYS 29 -9.216 19.424 3.689 4 1HG LYS 29 HG2 LYS 29 -9.339 21.830 3.210 5 2HG LYS 29 HG1 LYS 29 -10.425 21.516 1.856 6 1HD LYS 29 HD2 LYS 29 -12.145 20.693 3.315 7 2HD LYS 29 HD1 LYS 29 -11.046 20.669 4.695 8 1HE LYS 29 HE2 LYS 29 -12.408 22.643 4.912 9 2HE LYS 29 HE1 LYS 29 -10.800 23.174 4.420 10 1HZ LYS 29 HZ1 LYS 29 -11.806 24.198 2.744 11 2HZ LYS 29 HZ2 LYS 29 -13.288 23.425 3.048 12 3HZ LYS 29 HZ3 LYS 29 -12.116 22.671 2.076 13 H GLY 30 HN GLY 30 -7.926 17.970 3.519 14 1HA GLY 30 HA2 GLY 30 -7.297 15.851 1.510 15 2HA GLY 30 HA1 GLY 30 -6.225 16.120 2.886 16 H ASP 31 HN ASP 31 -7.413 13.628 2.540 17 HA ASP 31 HA ASP 31 -8.638 13.190 5.078 18 1HB ASP 31 HB2 ASP 31 -10.937 12.589 4.294 19 2HB ASP 31 HB1 ASP 31 -10.587 14.311 4.135 20 H GLY 32 HN GLY 32 -7.645 11.245 5.375 21 1HA GLY 32 HA2 GLY 32 -7.312 8.924 5.089 22 2HA GLY 32 HA1 GLY 32 -8.395 8.982 3.697 23 H VAL 33 HN VAL 33 -5.237 8.451 4.559 24 HA VAL 33 HA VAL 33 -4.356 8.875 1.756 25 HB VAL 33 HB VAL 33 -2.886 9.905 4.201 26 1HG1 VAL 33 HG11 VAL 33 -1.761 8.813 1.914 27 2HG1 VAL 33 HG12 VAL 33 -0.971 9.960 2.996 28 3HG1 VAL 33 HG13 VAL 33 -1.803 10.539 1.553 29 1HG2 VAL 33 HG21 VAL 33 -4.348 11.617 3.658 30 2HG2 VAL 33 HG22 VAL 33 -4.448 11.135 1.964 31 3HG2 VAL 33 HG23 VAL 33 -3.028 12.000 2.553 32 H VAL 34 HN VAL 34 -3.479 6.984 1.079 33 HA VAL 34 HA VAL 34 -2.468 5.084 3.138 34 HB VAL 34 HB VAL 34 -3.121 4.593 0.216 35 1HG1 VAL 34 HG11 VAL 34 -1.528 3.100 1.852 36 2HG1 VAL 34 HG12 VAL 34 -2.503 2.423 0.548 37 3HG1 VAL 34 HG13 VAL 34 -3.108 2.401 2.205 38 1HG2 VAL 34 HG21 VAL 34 -4.985 3.234 1.686 39 2HG2 VAL 34 HG22 VAL 34 -5.256 4.831 0.989 40 3HG2 VAL 34 HG23 VAL 34 -4.765 4.677 2.675 41 H ARG 35 HN ARG 35 -0.319 4.520 3.185 42 HA ARG 35 HA ARG 35 1.448 5.856 1.190 43 1HB ARG 35 HB2 ARG 35 1.593 5.851 3.923 44 2HB ARG 35 HB1 ARG 35 2.678 4.520 3.520 45 1HG ARG 35 HG2 ARG 35 4.067 5.910 2.189 46 2HG ARG 35 HG1 ARG 35 2.856 7.190 2.119 47 1HD ARG 35 HD2 ARG 35 3.100 7.444 4.618 48 2HD ARG 35 HD1 ARG 35 4.460 6.324 4.538 49 HE ARG 35 HE ARG 35 4.761 8.535 2.679 50 1HH1 ARG 35 HH11 ARG 35 6.254 6.918 5.135 51 2HH1 ARG 35 HH12 ARG 35 6.974 8.303 5.885 52 1HH2 ARG 35 HH21 ARG 35 5.184 10.591 3.992 53 2HH2 ARG 35 HH22 ARG 35 6.369 10.382 5.238 54 H ILE 36 HN ILE 36 2.333 4.592 -0.368 55 HA ILE 36 HA ILE 36 2.732 1.692 0.240 56 HB ILE 36 HB ILE 36 1.799 2.872 -2.395 57 1HG1 ILE 36 HG12 ILE 36 0.058 0.934 -1.088 58 2HG1 ILE 36 HG11 ILE 36 0.320 2.354 -0.075 59 1HG2 ILE 36 HG21 ILE 36 2.090 -0.016 -1.514 60 2HG2 ILE 36 HG22 ILE 36 3.241 0.830 -2.548 61 3HG2 ILE 36 HG23 ILE 36 1.592 0.552 -3.108 62 1HD1 ILE 36 HD11 ILE 36 -0.201 2.871 -2.955 63 2HD1 ILE 36 HD12 ILE 36 -0.747 3.763 -1.534 64 3HD1 ILE 36 HD13 ILE 36 -1.563 2.273 -2.008 65 H GLN 37 HN GLN 37 4.911 1.408 0.273 66 HA GLN 37 HA GLN 37 6.491 2.576 -1.970 67 1HB GLN 37 HB2 GLN 37 8.354 2.911 -0.225 68 2HB GLN 37 HB1 GLN 37 7.018 4.062 -0.192 69 1HG GLN 37 HG2 GLN 37 6.511 1.673 1.430 70 2HG GLN 37 HG1 GLN 37 7.912 2.595 1.976 71 1HE2 GLN 37 HE21 GLN 37 7.427 4.321 3.337 72 2HE2 GLN 37 HE22 GLN 37 5.922 5.102 3.422 73 H ARG 38 HN ARG 38 7.185 0.779 -3.037 74 HA ARG 38 HA ARG 38 7.512 -1.790 -1.759 75 1HB ARG 38 HB2 ARG 38 8.556 -2.448 -3.936 76 2HB ARG 38 HB1 ARG 38 6.992 -1.657 -4.138 77 1HG ARG 38 HG2 ARG 38 7.930 -0.026 -5.370 78 2HG ARG 38 HG1 ARG 38 9.069 0.337 -4.073 79 1HD ARG 38 HD2 ARG 38 10.293 -1.829 -4.929 80 2HD ARG 38 HD1 ARG 38 9.396 -1.514 -6.415 81 HE ARG 38 HE ARG 38 10.809 0.832 -5.393 82 1HH1 ARG 38 HH21 ARG 38 12.182 -2.026 -6.228 83 2HH1 ARG 38 HH22 ARG 38 12.937 -1.483 -7.689 84 1HH2 ARG 38 HH11 ARG 38 11.251 1.547 -7.748 85 2HH2 ARG 38 HH12 ARG 38 12.410 0.540 -8.549 86 H GLN 39 HN GLN 39 9.108 -2.070 -0.264 87 HA GLN 39 HA GLN 39 11.709 -0.694 -0.660 88 1HB GLN 39 HB2 GLN 39 10.220 -1.078 1.598 89 2HB GLN 39 HB1 GLN 39 11.337 -2.439 1.699 90 1HG GLN 39 HG2 GLN 39 12.857 -0.178 0.890 91 2HG GLN 39 HG1 GLN 39 11.851 0.333 2.245 92 1HE2 GLN 39 HE21 GLN 39 14.812 -0.186 2.229 93 2HE2 GLN 39 HE22 GLN 39 15.068 -1.381 3.407 94 H THR 40 HN THR 40 13.595 -1.822 -1.095 95 HA THR 40 HA THR 40 13.276 -4.760 -1.552 96 HB THR 40 HB THR 40 15.400 -2.982 -2.769 97 HG1 THR 40 HG1 THR 40 14.054 -2.606 -4.423 98 1HG2 THR 40 HG21 THR 40 15.047 -4.927 -4.535 99 2HG2 THR 40 HG22 THR 40 14.416 -5.785 -3.129 100 3HG2 THR 40 HG23 THR 40 16.069 -5.172 -3.119 101 H SER 41 HN SER 41 15.299 -6.044 -1.150 102 HA SER 41 HA SER 41 16.870 -4.860 1.106 103 1HB SER 41 HB2 SER 41 15.592 -6.561 2.115 104 2HB SER 41 HB1 SER 41 15.717 -7.615 0.710 105 HG SER 41 HG SER 41 17.100 -8.089 2.610 106 H GLY 42 HN GLY 42 16.919 -6.755 -1.846 107 1HA GLY 42 HA2 GLY 42 19.526 -6.081 -2.602 108 2HA GLY 42 HA1 GLY 42 19.686 -7.565 -1.662 109 H ARG 43 HN ARG 43 20.134 -7.152 -4.563 110 HA ARG 43 HA ARG 43 19.785 -8.456 -6.489 111 1HB ARG 43 HB2 ARG 43 19.038 -10.126 -4.378 112 2HB ARG 43 HB1 ARG 43 17.653 -10.165 -5.470 113 1HG ARG 43 HG2 ARG 43 19.044 -10.828 -7.327 114 2HG ARG 43 HG1 ARG 43 20.512 -10.573 -6.384 115 1HD ARG 43 HD2 ARG 43 18.374 -12.653 -5.838 116 2HD ARG 43 HD1 ARG 43 19.997 -12.962 -6.456 117 HE ARG 43 HE ARG 43 20.285 -11.568 -4.008 118 1HH1 ARG 43 HH21 ARG 43 19.817 -14.642 -5.408 119 2HH1 ARG 43 HH22 ARG 43 19.817 -15.495 -3.901 120 1HH2 ARG 43 HH11 ARG 43 19.965 -12.620 -1.969 121 2HH2 ARG 43 HH12 ARG 43 19.901 -14.350 -1.954 122 H LYS 44 HN LYS 44 18.093 -8.750 -8.162 123 HA LYS 44 HA LYS 44 15.906 -6.770 -7.773 124 1HB LYS 44 HB2 LYS 44 16.901 -8.065 -10.330 125 2HB LYS 44 HB1 LYS 44 15.762 -6.723 -10.210 126 1HG LYS 44 HG2 LYS 44 17.498 -5.338 -9.136 127 2HG LYS 44 HG1 LYS 44 18.640 -6.678 -9.252 128 1HD LYS 44 HD2 LYS 44 18.350 -6.658 -11.733 129 2HD LYS 44 HD1 LYS 44 17.318 -5.237 -11.569 130 1HE LYS 44 HE2 LYS 44 19.161 -3.987 -10.540 131 2HE LYS 44 HE1 LYS 44 20.198 -5.411 -10.634 132 1HZ LYS 44 HZ1 LYS 44 20.666 -4.965 -12.740 133 2HZ LYS 44 HZ2 LYS 44 19.865 -3.477 -12.562 134 3HZ LYS 44 HZ3 LYS 44 19.027 -4.831 -13.154 135 H GLY 45 HN GLY 45 15.880 -9.595 -6.751 136 1HA GLY 45 HA2 GLY 45 13.514 -10.574 -8.302 137 2HA GLY 45 HA1 GLY 45 14.627 -11.648 -7.452 138 H LYS 46 HN LYS 46 14.780 -9.674 -5.176 139 HA LYS 46 HA LYS 46 12.414 -10.689 -3.745 140 1HB LYS 46 HB2 LYS 46 15.065 -9.940 -3.031 141 2HB LYS 46 HB1 LYS 46 13.968 -8.860 -2.170 142 1HG LYS 46 HG2 LYS 46 12.705 -10.794 -1.323 143 2HG LYS 46 HG1 LYS 46 13.777 -11.887 -2.200 144 1HD LYS 46 HD2 LYS 46 15.706 -10.966 -0.904 145 2HD LYS 46 HD1 LYS 46 14.569 -9.999 0.035 146 1HE LYS 46 HE2 LYS 46 13.462 -11.998 0.857 147 2HE LYS 46 HE1 LYS 46 14.447 -13.019 -0.191 148 1HZ LYS 46 HZ1 LYS 46 15.232 -12.901 2.142 149 2HZ LYS 46 HZ2 LYS 46 15.556 -11.248 1.916 150 3HZ LYS 46 HZ3 LYS 46 16.395 -12.413 1.008 151 H GLY 47 HN GLY 47 11.087 -9.153 -2.431 152 1HA GLY 47 HA2 GLY 47 11.054 -6.369 -2.657 153 2HA GLY 47 HA1 GLY 47 10.157 -6.953 -4.060 154 H VAL 48 HN VAL 48 9.368 -5.572 -1.407 155 HA VAL 48 HA VAL 48 6.981 -7.273 -0.972 156 HB VAL 48 HB VAL 48 7.256 -6.982 1.528 157 1HG1 VAL 48 HG11 VAL 48 9.180 -8.608 -0.132 158 2HG1 VAL 48 HG12 VAL 48 7.725 -9.148 0.706 159 3HG1 VAL 48 HG13 VAL 48 9.168 -8.725 1.627 160 1HG2 VAL 48 HG21 VAL 48 9.294 -6.236 2.437 161 2HG2 VAL 48 HG22 VAL 48 9.041 -5.127 1.089 162 3HG2 VAL 48 HG23 VAL 48 10.165 -6.476 0.922 163 H CYS 49 HN CYS 49 5.186 -6.064 -0.137 164 HA CYS 49 HA CYS 49 5.578 -3.105 -0.317 165 1HB CYS 49 HB2 CYS 49 3.631 -4.901 -1.476 166 2HB CYS 49 HB1 CYS 49 2.823 -3.713 -0.453 167 HG CYS 49 HG CYS 49 3.157 -2.634 -2.821 168 H LEU 50 HN LEU 50 5.297 -1.986 1.551 169 HA LEU 50 HA LEU 50 3.856 -3.362 3.783 170 1HB LEU 50 HB2 LEU 50 6.059 -1.278 3.849 171 2HB LEU 50 HB1 LEU 50 5.201 -1.860 5.276 172 HG LEU 50 HG LEU 50 6.009 -4.166 3.857 173 1HD1 LEU 50 HD11 LEU 50 8.508 -3.773 3.855 174 2HD1 LEU 50 HD12 LEU 50 8.172 -2.053 4.053 175 3HD1 LEU 50 HD13 LEU 50 7.631 -2.895 2.601 176 1HD2 LEU 50 HD21 LEU 50 6.126 -4.521 6.104 177 2HD2 LEU 50 HD22 LEU 50 6.486 -2.828 6.443 178 3HD2 LEU 50 HD23 LEU 50 7.777 -3.922 5.948 179 H ILE 51 HN ILE 51 1.787 -2.555 3.704 180 HA ILE 51 HA ILE 51 1.289 0.250 2.997 181 HB ILE 51 HB ILE 51 -0.722 -1.700 4.134 182 1HG1 ILE 51 HG12 ILE 51 0.646 -2.676 2.211 183 2HG1 ILE 51 HG11 ILE 51 -1.094 -2.585 1.938 184 1HG2 ILE 51 HG21 ILE 51 -0.816 0.760 2.381 185 2HG2 ILE 51 HG22 ILE 51 -1.623 0.490 3.926 186 3HG2 ILE 51 HG23 ILE 51 -2.172 -0.364 2.484 187 1HD1 ILE 51 HD11 ILE 51 0.404 -1.755 0.027 188 2HD1 ILE 51 HD12 ILE 51 0.780 -0.381 1.066 189 3HD1 ILE 51 HD13 ILE 51 -0.881 -0.664 0.548 190 H THR 52 HN THR 52 1.457 1.848 4.490 191 HA THR 52 HA THR 52 0.349 1.494 7.175 192 HB THR 52 HB THR 52 2.603 0.506 7.445 193 HG1 THR 52 HG1 THR 52 2.857 3.000 8.643 194 1HG2 THR 52 HG21 THR 52 4.593 1.770 7.017 195 2HG2 THR 52 HG22 THR 52 3.668 3.238 6.702 196 3HG2 THR 52 HG23 THR 52 3.600 1.891 5.565 197 H GLY 53 HN GLY 53 0.676 3.609 8.452 198 1HA GLY 53 HA2 GLY 53 0.821 5.982 8.520 199 2HA GLY 53 HA1 GLY 53 1.285 5.976 6.818 200 H VAL 54 HN VAL 54 -1.512 4.162 7.810 201 HA VAL 54 HA VAL 54 -3.200 5.964 6.181 202 HB VAL 54 HB VAL 54 -4.107 3.431 7.552 203 1HG1 VAL 54 HG11 VAL 54 -5.546 3.365 5.467 204 2HG1 VAL 54 HG12 VAL 54 -4.933 4.972 5.078 205 3HG1 VAL 54 HG13 VAL 54 -5.876 4.720 6.546 206 1HG2 VAL 54 HG21 VAL 54 -3.513 2.595 5.047 207 2HG2 VAL 54 HG22 VAL 54 -2.388 2.441 6.397 208 3HG2 VAL 54 HG23 VAL 54 -2.233 3.788 5.270 209 H ASP 55 HN ASP 55 -4.510 7.461 7.114 210 HA ASP 55 HA ASP 55 -5.036 7.199 10.048 211 1HB ASP 55 HB2 ASP 55 -3.672 9.197 9.181 212 2HB ASP 55 HB1 ASP 55 -5.176 9.764 8.455 213 H LEU 56 HN LEU 56 -6.908 5.820 9.415 214 HA LEU 56 HA LEU 56 -9.255 7.531 8.748 215 1HB LEU 56 HB2 LEU 56 -8.561 4.850 7.519 216 2HB LEU 56 HB1 LEU 56 -10.163 5.580 7.413 217 HG LEU 56 HG LEU 56 -7.638 6.990 6.519 218 1HD1 LEU 56 HD11 LEU 56 -7.709 5.892 4.549 219 2HD1 LEU 56 HD12 LEU 56 -9.448 6.147 4.405 220 3HD1 LEU 56 HD13 LEU 56 -8.832 4.762 5.306 221 1HD2 LEU 56 HD21 LEU 56 -9.003 8.740 6.086 222 2HD2 LEU 56 HD22 LEU 56 -10.234 7.900 7.029 223 3HD2 LEU 56 HD23 LEU 56 -10.179 7.703 5.277 224 H ASP 57 HN ASP 57 -11.260 5.702 9.000 225 HA ASP 57 HA ASP 57 -11.523 5.360 11.803 226 1HB ASP 57 HB2 ASP 57 -13.252 5.182 9.747 227 2HB ASP 57 HB1 ASP 57 -12.977 3.462 10.026 228 H ASP 58 HN ASP 58 -11.387 3.445 13.107 229 HA ASP 58 HA ASP 58 -9.117 1.802 12.648 230 1HB ASP 58 HB2 ASP 58 -11.039 2.148 14.703 231 2HB ASP 58 HB1 ASP 58 -11.035 0.430 14.305 232 H ALA 59 HN ALA 59 -12.586 0.929 12.381 233 HA ALA 59 HA ALA 59 -12.015 -1.641 11.188 234 1HB ALA 59 HB1 ALA 59 -14.489 0.049 11.490 235 2HB ALA 59 HB2 ALA 59 -14.126 -1.517 12.214 236 3HB ALA 59 HB3 ALA 59 -14.519 -1.409 10.498 237 H GLU 60 HN GLU 60 -12.247 1.590 9.949 238 HA GLU 60 HA GLU 60 -12.964 1.019 7.245 239 1HB GLU 60 HB2 GLU 60 -12.909 3.311 8.154 240 2HB GLU 60 HB1 GLU 60 -11.155 3.207 8.320 241 1HG GLU 60 HG2 GLU 60 -10.790 3.345 6.042 242 2HG GLU 60 HG1 GLU 60 -12.344 2.613 5.643 243 H LEU 61 HN LEU 61 -9.798 1.090 8.874 244 HA LEU 61 HA LEU 61 -8.204 0.653 6.553 245 1HB LEU 61 HB2 LEU 61 -7.848 0.499 9.460 246 2HB LEU 61 HB1 LEU 61 -6.860 -0.669 8.582 247 HG LEU 61 HG LEU 61 -6.243 1.317 7.039 248 1HD1 LEU 61 HD11 LEU 61 -6.311 3.507 8.341 249 2HD1 LEU 61 HD12 LEU 61 -7.451 2.720 9.433 250 3HD1 LEU 61 HD13 LEU 61 -7.865 2.938 7.733 251 1HD2 LEU 61 HD21 LEU 61 -4.795 2.193 9.218 252 2HD2 LEU 61 HD22 LEU 61 -4.373 0.800 8.222 253 3HD2 LEU 61 HD23 LEU 61 -5.278 0.572 9.718 254 H THR 62 HN THR 62 -9.320 -1.757 8.969 255 HA THR 62 HA THR 62 -8.431 -4.080 7.711 256 HB THR 62 HB THR 62 -11.086 -3.660 9.119 257 HG1 THR 62 HG1 THR 62 -8.453 -4.184 9.928 258 1HG2 THR 62 HG21 THR 62 -11.515 -5.799 8.578 259 2HG2 THR 62 HG22 THR 62 -10.094 -6.269 9.511 260 3HG2 THR 62 HG23 THR 62 -9.949 -5.953 7.782 261 H LYS 63 HN LYS 63 -11.268 -2.119 6.914 262 HA LYS 63 HA LYS 63 -12.449 -3.904 5.025 263 1HB LYS 63 HB2 LYS 63 -12.992 -1.343 5.996 264 2HB LYS 63 HB1 LYS 63 -12.685 -1.091 4.277 265 1HG LYS 63 HG2 LYS 63 -14.333 -2.810 3.703 266 2HG LYS 63 HG1 LYS 63 -14.611 -3.140 5.414 267 1HD LYS 63 HD2 LYS 63 -15.520 -0.937 5.770 268 2HD LYS 63 HD1 LYS 63 -15.038 -0.418 4.154 269 1HE LYS 63 HE2 LYS 63 -16.599 -1.983 3.134 270 2HE LYS 63 HE1 LYS 63 -17.013 -2.649 4.714 271 1HZ LYS 63 HZ1 LYS 63 -17.729 -0.054 3.543 272 2HZ LYS 63 HZ2 LYS 63 -17.576 -0.176 5.231 273 3HZ LYS 63 HZ3 LYS 63 -18.695 -1.152 4.404 274 H LEU 64 HN LEU 64 -10.540 -0.967 4.275 275 HA LEU 64 HA LEU 64 -10.111 -1.378 1.572 276 1HB LEU 64 HB2 LEU 64 -9.040 0.304 3.497 277 2HB LEU 64 HB1 LEU 64 -7.632 -0.593 2.926 278 HG LEU 64 HG LEU 64 -9.610 0.628 1.000 279 1HD1 LEU 64 HD11 LEU 64 -7.936 2.518 0.830 280 2HD1 LEU 64 HD12 LEU 64 -7.187 1.898 2.302 281 3HD1 LEU 64 HD13 LEU 64 -8.850 2.485 2.338 282 1HD2 LEU 64 HD21 LEU 64 -6.700 0.375 0.451 283 2HD2 LEU 64 HD22 LEU 64 -8.075 0.061 -0.608 284 3HD2 LEU 64 HD23 LEU 64 -7.593 -1.139 0.591 285 H ALA 65 HN ALA 65 -8.312 -2.889 4.245 286 HA ALA 65 HA ALA 65 -6.347 -4.229 2.718 287 1HB ALA 65 HB1 ALA 65 -5.787 -4.810 4.820 288 2HB ALA 65 HB2 ALA 65 -7.101 -5.987 4.796 289 3HB ALA 65 HB3 ALA 65 -7.386 -4.358 5.410 290 H ALA 66 HN ALA 66 -9.430 -5.620 3.912 291 HA ALA 66 HA ALA 66 -9.263 -8.023 2.416 292 1HB ALA 66 HB1 ALA 66 -11.738 -8.138 2.725 293 2HB ALA 66 HB2 ALA 66 -11.712 -6.477 3.318 294 3HB ALA 66 HB3 ALA 66 -10.886 -7.748 4.219 295 H GLU 67 HN GLU 67 -9.877 -4.806 1.360 296 HA GLU 67 HA GLU 67 -11.415 -5.524 -1.006 297 1HB GLU 67 HB2 GLU 67 -10.625 -3.123 0.308 298 2HB GLU 67 HB1 GLU 67 -10.039 -3.036 -1.353 299 1HG GLU 67 HG2 GLU 67 -12.312 -3.648 -2.160 300 2HG GLU 67 HG1 GLU 67 -12.884 -3.635 -0.491 301 H LEU 68 HN LEU 68 -7.991 -4.707 -0.392 302 HA LEU 68 HA LEU 68 -7.281 -5.126 -3.197 303 1HB LEU 68 HB2 LEU 68 -5.766 -4.526 -0.671 304 2HB LEU 68 HB1 LEU 68 -4.893 -5.063 -2.107 305 HG LEU 68 HG LEU 68 -5.092 -2.563 -1.931 306 1HD1 LEU 68 HD11 LEU 68 -6.659 -2.910 -4.322 307 2HD1 LEU 68 HD12 LEU 68 -5.545 -4.267 -4.154 308 3HD1 LEU 68 HD13 LEU 68 -4.927 -2.615 -4.176 309 1HD2 LEU 68 HD21 LEU 68 -7.203 -1.493 -2.121 310 2HD2 LEU 68 HD22 LEU 68 -7.474 -2.781 -0.947 311 3HD2 LEU 68 HD23 LEU 68 -8.005 -2.985 -2.617 312 H LYS 69 HN LYS 69 -7.391 -7.088 -0.302 313 HA LYS 69 HA LYS 69 -5.633 -9.168 -1.277 314 1HB LYS 69 HB2 LYS 69 -6.774 -8.621 1.146 315 2HB LYS 69 HB1 LYS 69 -7.781 -9.960 0.592 316 1HG LYS 69 HG2 LYS 69 -5.477 -11.058 -0.041 317 2HG LYS 69 HG1 LYS 69 -4.828 -9.915 1.134 318 1HD LYS 69 HD2 LYS 69 -7.242 -11.423 1.980 319 2HD LYS 69 HD1 LYS 69 -5.755 -12.361 1.824 320 1HE LYS 69 HE2 LYS 69 -4.889 -10.080 3.119 321 2HE LYS 69 HE1 LYS 69 -6.486 -10.337 3.822 322 1HZ LYS 69 HZ1 LYS 69 -4.472 -12.495 3.565 323 2HZ LYS 69 HZ2 LYS 69 -5.903 -12.508 4.480 324 3HZ LYS 69 HZ3 LYS 69 -4.603 -11.519 4.947 325 H LYS 70 HN LYS 70 -8.651 -8.163 -2.316 326 HA LYS 70 HA LYS 70 -10.018 -10.612 -2.815 327 1HB LYS 70 HB2 LYS 70 -10.008 -7.935 -4.214 328 2HB LYS 70 HB1 LYS 70 -11.000 -9.273 -4.793 329 1HG LYS 70 HG2 LYS 70 -12.135 -9.419 -2.640 330 2HG LYS 70 HG1 LYS 70 -11.084 -8.169 -1.971 331 1HD LYS 70 HD2 LYS 70 -11.958 -6.532 -3.561 332 2HD LYS 70 HD1 LYS 70 -12.952 -7.772 -4.326 333 1HE LYS 70 HE2 LYS 70 -14.129 -8.114 -2.152 334 2HE LYS 70 HE1 LYS 70 -13.194 -6.782 -1.471 335 1HZ LYS 70 HZ1 LYS 70 -15.402 -6.109 -2.295 336 2HZ LYS 70 HZ2 LYS 70 -14.932 -6.557 -3.865 337 3HZ LYS 70 HZ3 LYS 70 -14.131 -5.291 -3.066 338 H LYS 71 HN LYS 71 -7.591 -8.846 -4.731 339 HA LYS 71 HA LYS 71 -6.896 -11.373 -6.084 340 1HB LYS 71 HB2 LYS 71 -6.960 -9.952 -8.315 341 2HB LYS 71 HB1 LYS 71 -8.418 -10.753 -7.728 342 1HG LYS 71 HG2 LYS 71 -9.464 -8.782 -7.417 343 2HG LYS 71 HG1 LYS 71 -8.103 -8.139 -6.497 344 1HD LYS 71 HD2 LYS 71 -7.014 -8.035 -8.946 345 2HD LYS 71 HD1 LYS 71 -8.712 -7.890 -9.403 346 1HE LYS 71 HE2 LYS 71 -8.475 -6.184 -7.217 347 2HE LYS 71 HE1 LYS 71 -6.972 -5.935 -8.105 348 1HZ LYS 71 HZ1 LYS 71 -8.758 -5.987 -10.091 349 2HZ LYS 71 HZ2 LYS 71 -8.232 -4.563 -9.327 350 3HZ LYS 71 HZ3 LYS 71 -9.692 -5.293 -8.857 351 H CYS 72 HN CYS 72 -5.414 -9.881 -4.231 352 HA CYS 72 HA CYS 72 -3.554 -8.114 -5.627 353 1HB CYS 72 HB2 CYS 72 -4.149 -8.803 -2.914 354 2HB CYS 72 HB1 CYS 72 -2.437 -9.123 -3.193 355 HG CYS 72 HG CYS 72 -3.751 -6.334 -3.737 356 H GLY 73 HN GLY 73 -3.765 -11.510 -4.829 357 1HA GLY 73 HA2 GLY 73 -2.418 -12.949 -6.451 358 2HA GLY 73 HA1 GLY 73 -1.048 -11.923 -6.011 359 H CYS 74 HN CYS 74 -2.006 -11.745 -3.204 360 HA CYS 74 HA CYS 74 -2.350 -14.126 -1.839 361 1HB CYS 74 HB2 CYS 74 -0.479 -15.180 -2.861 362 2HB CYS 74 HB1 CYS 74 0.522 -13.738 -2.707 363 HG CYS 74 HG CYS 74 -0.236 -15.619 -0.328 364 H GLY 75 HN GLY 75 -3.201 -12.733 -0.289 365 1HA GLY 75 HA2 GLY 75 -1.688 -10.468 0.742 366 2HA GLY 75 HA1 GLY 75 -3.218 -11.067 1.383 367 H GLY 76 HN GLY 76 0.016 -10.748 2.096 368 1HA GLY 76 HA2 GLY 76 0.613 -13.206 3.431 369 2HA GLY 76 HA1 GLY 76 1.376 -11.654 3.782 370 H ALA 77 HN ALA 77 0.417 -10.288 5.388 371 HA ALA 77 HA ALA 77 -1.733 -11.562 7.023 372 1HB ALA 77 HB1 ALA 77 0.802 -11.689 7.862 373 2HB ALA 77 HB2 ALA 77 -0.528 -11.409 8.988 374 3HB ALA 77 HB3 ALA 77 0.441 -10.053 8.412 375 H VAL 78 HN VAL 78 -2.865 -9.970 8.414 376 HA VAL 78 HA VAL 78 -2.570 -7.161 7.446 377 HB VAL 78 HB VAL 78 -5.206 -8.590 7.906 378 1HG1 VAL 78 HG11 VAL 78 -4.383 -5.793 7.423 379 2HG1 VAL 78 HG12 VAL 78 -5.860 -6.422 8.154 380 3HG1 VAL 78 HG13 VAL 78 -5.700 -6.362 6.399 381 1HG2 VAL 78 HG21 VAL 78 -3.499 -8.173 5.489 382 2HG2 VAL 78 HG22 VAL 78 -5.244 -8.003 5.296 383 3HG2 VAL 78 HG23 VAL 78 -4.565 -9.519 5.890 384 H LYS 79 HN LYS 79 -2.827 -5.609 9.051 385 HA LYS 79 HA LYS 79 -3.883 -6.429 11.691 386 1HB LYS 79 HB2 LYS 79 -1.029 -5.842 11.088 387 2HB LYS 79 HB1 LYS 79 -1.687 -5.117 12.554 388 1HG LYS 79 HG2 LYS 79 -2.583 -7.442 13.134 389 2HG LYS 79 HG1 LYS 79 -1.561 -8.051 11.831 390 1HD LYS 79 HD2 LYS 79 0.431 -7.229 12.905 391 2HD LYS 79 HD1 LYS 79 -0.515 -6.351 14.108 392 1HE LYS 79 HE2 LYS 79 -1.306 -8.394 15.097 393 2HE LYS 79 HE1 LYS 79 -0.646 -9.357 13.775 394 1HZ LYS 79 HZ1 LYS 79 0.942 -9.578 15.410 395 2HZ LYS 79 HZ2 LYS 79 0.776 -7.977 15.954 396 3HZ LYS 79 HZ3 LYS 79 1.573 -8.302 14.489 397 H ASP 80 HN ASP 80 -4.787 -4.672 12.800 398 HA ASP 80 HA ASP 80 -5.477 -2.337 11.321 399 1HB ASP 80 HB2 ASP 80 -5.404 -2.520 14.341 400 2HB ASP 80 HB1 ASP 80 -6.475 -1.535 13.344 401 H GLY 81 HN GLY 81 -3.552 -1.374 10.507 402 1HA GLY 81 HA2 GLY 81 -2.382 0.791 11.360 403 2HA GLY 81 HA1 GLY 81 -1.666 -0.295 12.551 404 H VAL 82 HN VAL 82 -1.327 -2.543 10.782 405 HA VAL 82 HA VAL 82 0.528 -1.492 8.705 406 HB VAL 82 HB VAL 82 1.252 -3.546 10.818 407 1HG1 VAL 82 HG11 VAL 82 2.331 -2.929 8.149 408 2HG1 VAL 82 HG12 VAL 82 2.573 -4.355 9.157 409 3HG1 VAL 82 HG13 VAL 82 3.542 -2.907 9.431 410 1HG2 VAL 82 HG21 VAL 82 2.429 -1.902 11.873 411 2HG2 VAL 82 HG22 VAL 82 1.329 -0.816 11.024 412 3HG2 VAL 82 HG23 VAL 82 2.926 -1.154 10.356 413 H ILE 83 HN ILE 83 0.440 -2.702 6.838 414 HA ILE 83 HA ILE 83 -0.872 -5.382 7.004 415 HB ILE 83 HB ILE 83 -1.343 -3.370 4.788 416 1HG1 ILE 83 HG12 ILE 83 -3.187 -4.094 7.085 417 2HG1 ILE 83 HG11 ILE 83 -2.229 -2.614 7.023 418 1HG2 ILE 83 HG21 ILE 83 -1.990 -6.174 5.235 419 2HG2 ILE 83 HG22 ILE 83 -2.168 -5.208 3.771 420 3HG2 ILE 83 HG23 ILE 83 -3.444 -5.207 4.988 421 1HD1 ILE 83 HD11 ILE 83 -3.894 -3.236 4.633 422 2HD1 ILE 83 HD12 ILE 83 -3.527 -1.678 5.374 423 3HD1 ILE 83 HD13 ILE 83 -4.749 -2.730 6.090 424 H GLU 84 HN GLU 84 0.194 -6.957 5.866 425 HA GLU 84 HA GLU 84 2.543 -6.082 4.248 426 1HB GLU 84 HB2 GLU 84 1.932 -8.833 5.369 427 2HB GLU 84 HB1 GLU 84 3.449 -8.302 4.640 428 1HG GLU 84 HG2 GLU 84 3.847 -6.740 6.439 429 2HG GLU 84 HG1 GLU 84 2.245 -7.038 7.115 430 H ILE 85 HN ILE 85 2.289 -6.184 2.072 431 HA ILE 85 HA ILE 85 0.391 -8.231 0.991 432 HB ILE 85 HB ILE 85 0.915 -5.396 0.067 433 1HG1 ILE 85 HG12 ILE 85 -0.767 -5.835 1.898 434 2HG1 ILE 85 HG11 ILE 85 -1.461 -5.112 0.447 435 1HG2 ILE 85 HG21 ILE 85 0.800 -6.494 -1.987 436 2HG2 ILE 85 HG22 ILE 85 -0.905 -6.165 -1.680 437 3HG2 ILE 85 HG23 ILE 85 -0.245 -7.769 -1.360 438 1HD1 ILE 85 HD11 ILE 85 -2.871 -6.968 1.228 439 2HD1 ILE 85 HD12 ILE 85 -1.491 -8.063 1.145 440 3HD1 ILE 85 HD13 ILE 85 -2.150 -7.361 -0.332 441 H GLN 86 HN GLN 86 2.074 -9.746 0.594 442 HA GLN 86 HA GLN 86 4.573 -9.205 -0.600 443 1HB GLN 86 HB2 GLN 86 3.011 -11.519 0.024 444 2HB GLN 86 HB1 GLN 86 3.608 -11.689 -1.628 445 1HG GLN 86 HG2 GLN 86 5.824 -10.707 -0.347 446 2HG GLN 86 HG1 GLN 86 5.098 -11.700 0.916 447 1HE2 GLN 86 HE21 GLN 86 7.541 -12.132 -0.949 448 2HE2 GLN 86 HE22 GLN 86 7.278 -13.679 -1.596 449 H GLY 87 HN GLY 87 5.144 -8.602 -2.643 450 1HA GLY 87 HA2 GLY 87 4.144 -9.402 -5.081 451 2HA GLY 87 HA1 GLY 87 3.055 -8.093 -4.618 452 H ASP 88 HN ASP 88 3.884 -6.825 -6.416 453 HA ASP 88 HA ASP 88 5.969 -5.013 -5.689 454 1HB ASP 88 HB2 ASP 88 7.263 -7.174 -6.287 455 2HB ASP 88 HB1 ASP 88 6.809 -6.822 -7.954 456 H LYS 89 HN LYS 89 3.810 -4.004 -6.421 457 HA LYS 89 HA LYS 89 4.116 -3.227 -9.271 458 1HB LYS 89 HB2 LYS 89 1.833 -4.700 -8.085 459 2HB LYS 89 HB1 LYS 89 1.403 -3.323 -9.101 460 1HG LYS 89 HG2 LYS 89 2.908 -4.239 -10.884 461 2HG LYS 89 HG1 LYS 89 3.156 -5.669 -9.882 462 1HD LYS 89 HD2 LYS 89 0.722 -6.103 -9.903 463 2HD LYS 89 HD1 LYS 89 0.484 -4.686 -10.925 464 1HE LYS 89 HE2 LYS 89 1.776 -5.673 -12.713 465 2HE LYS 89 HE1 LYS 89 2.259 -7.021 -11.683 466 1HZ LYS 89 HZ1 LYS 89 -0.599 -6.567 -11.955 467 2HZ LYS 89 HZ2 LYS 89 0.272 -8.025 -11.902 468 3HZ LYS 89 HZ3 LYS 89 0.197 -7.128 -13.343 469 H ARG 90 HN ARG 90 4.905 -1.646 -7.180 470 HA ARG 90 HA ARG 90 3.072 0.023 -5.901 471 1HB ARG 90 HB2 ARG 90 4.809 1.728 -5.875 472 2HB ARG 90 HB1 ARG 90 5.565 0.148 -5.664 473 1HG ARG 90 HG2 ARG 90 6.067 0.086 -8.097 474 2HG ARG 90 HG1 ARG 90 5.376 1.700 -8.262 475 1HD ARG 90 HD2 ARG 90 7.255 1.750 -6.104 476 2HD ARG 90 HD1 ARG 90 8.034 1.002 -7.498 477 HE ARG 90 HE ARG 90 6.578 3.487 -8.084 478 1HH1 ARG 90 HH11 ARG 90 9.347 1.758 -8.658 479 2HH1 ARG 90 HH12 ARG 90 10.433 3.107 -8.617 480 1HH2 ARG 90 HH21 ARG 90 8.054 5.325 -7.414 481 2HH2 ARG 90 HH22 ARG 90 9.701 5.126 -7.913 482 H ASP 91 HN ASP 91 3.929 -0.069 -9.300 483 HA ASP 91 HA ASP 91 2.913 2.475 -10.084 484 1HB ASP 91 HB2 ASP 91 4.154 0.498 -11.416 485 2HB ASP 91 HB1 ASP 91 2.495 0.150 -11.903 486 H LEU 92 HN LEU 92 1.280 -0.717 -10.173 487 HA LEU 92 HA LEU 92 -1.291 0.358 -10.845 488 1HB LEU 92 HB2 LEU 92 -0.781 -2.015 -11.163 489 2HB LEU 92 HB1 LEU 92 -0.558 -2.222 -9.425 490 HG LEU 92 HG LEU 92 -3.122 -0.979 -10.074 491 1HD1 LEU 92 HD11 LEU 92 -4.040 -3.273 -10.856 492 2HD1 LEU 92 HD12 LEU 92 -2.370 -3.633 -11.295 493 3HD1 LEU 92 HD13 LEU 92 -3.206 -2.276 -12.048 494 1HD2 LEU 92 HD21 LEU 92 -2.049 -2.344 -7.988 495 2HD2 LEU 92 HD22 LEU 92 -2.923 -3.649 -8.789 496 3HD2 LEU 92 HD23 LEU 92 -3.786 -2.207 -8.256 497 H LEU 93 HN LEU 93 0.400 -0.052 -7.798 498 HA LEU 93 HA LEU 93 -1.832 0.186 -6.035 499 1HB LEU 93 HB2 LEU 93 1.107 0.532 -5.841 500 2HB LEU 93 HB1 LEU 93 0.156 1.393 -4.630 501 HG LEU 93 HG LEU 93 -0.724 -1.379 -5.124 502 1HD1 LEU 93 HD11 LEU 93 2.086 -0.731 -4.472 503 2HD1 LEU 93 HD12 LEU 93 1.394 -2.221 -5.113 504 3HD1 LEU 93 HD13 LEU 93 1.320 -1.887 -3.383 505 1HD2 LEU 93 HD21 LEU 93 -1.001 0.595 -3.169 506 2HD2 LEU 93 HD22 LEU 93 0.064 -0.596 -2.423 507 3HD2 LEU 93 HD23 LEU 93 -1.520 -1.084 -3.027 508 H LYS 94 HN LYS 94 0.280 2.664 -7.493 509 HA LYS 94 HA LYS 94 -0.942 4.905 -6.203 510 1HB LYS 94 HB2 LYS 94 1.246 4.905 -7.490 511 2HB LYS 94 HB1 LYS 94 0.288 4.899 -8.971 512 1HG LYS 94 HG2 LYS 94 -0.875 6.969 -8.155 513 2HG LYS 94 HG1 LYS 94 0.248 7.008 -6.795 514 1HD LYS 94 HD2 LYS 94 2.149 7.107 -8.388 515 2HD LYS 94 HD1 LYS 94 1.003 7.133 -9.730 516 1HE LYS 94 HE2 LYS 94 -0.019 9.201 -8.715 517 2HE LYS 94 HE1 LYS 94 1.303 9.213 -7.547 518 1HZ LYS 94 HZ1 LYS 94 1.903 9.057 -10.421 519 2HZ LYS 94 HZ2 LYS 94 2.846 9.689 -9.157 520 3HZ LYS 94 HZ3 LYS 94 1.505 10.556 -9.736 521 H SER 95 HN SER 95 -1.834 3.020 -9.032 522 HA SER 95 HA SER 95 -3.772 4.902 -10.058 523 1HB SER 95 HB2 SER 95 -2.851 3.101 -11.461 524 2HB SER 95 HB1 SER 95 -3.582 1.894 -10.408 525 HG SER 95 HG SER 95 -4.817 2.450 -12.326 526 H LEU 96 HN LEU 96 -4.426 1.701 -8.590 527 HA LEU 96 HA LEU 96 -7.119 2.043 -8.023 528 1HB LEU 96 HB2 LEU 96 -6.783 0.481 -6.110 529 2HB LEU 96 HB1 LEU 96 -5.955 -0.062 -7.570 530 HG LEU 96 HG LEU 96 -3.970 1.396 -6.523 531 1HD1 LEU 96 HD11 LEU 96 -4.168 1.887 -4.327 532 2HD1 LEU 96 HD12 LEU 96 -4.755 0.268 -3.949 533 3HD1 LEU 96 HD13 LEU 96 -5.883 1.510 -4.492 534 1HD2 LEU 96 HD21 LEU 96 -3.306 -0.764 -6.866 535 2HD2 LEU 96 HD22 LEU 96 -4.823 -1.430 -6.261 536 3HD2 LEU 96 HD23 LEU 96 -3.572 -0.915 -5.130 537 H LEU 97 HN LEU 97 -4.364 3.344 -6.227 538 HA LEU 97 HA LEU 97 -5.814 4.284 -3.951 539 1HB LEU 97 HB2 LEU 97 -3.233 4.185 -4.413 540 2HB LEU 97 HB1 LEU 97 -3.475 5.798 -5.084 541 HG LEU 97 HG LEU 97 -4.747 5.281 -2.452 542 1HD1 LEU 97 HD11 LEU 97 -2.774 4.282 -1.755 543 2HD1 LEU 97 HD12 LEU 97 -2.368 5.978 -1.497 544 3HD1 LEU 97 HD13 LEU 97 -1.796 5.144 -2.942 545 1HD2 LEU 97 HD21 LEU 97 -4.918 7.478 -3.422 546 2HD2 LEU 97 HD22 LEU 97 -3.186 7.530 -3.752 547 3HD2 LEU 97 HD23 LEU 97 -3.769 7.598 -2.089 548 H GLU 98 HN GLU 98 -4.840 6.025 -6.929 549 HA GLU 98 HA GLU 98 -6.232 8.437 -6.299 550 1HB GLU 98 HB2 GLU 98 -5.123 7.199 -8.783 551 2HB GLU 98 HB1 GLU 98 -6.259 8.536 -8.968 552 1HG GLU 98 HG2 GLU 98 -4.827 9.806 -7.274 553 2HG GLU 98 HG1 GLU 98 -3.621 8.536 -7.490 554 H ALA 99 HN ALA 99 -7.373 5.348 -7.286 555 HA ALA 99 HA ALA 99 -9.755 6.092 -8.674 556 1HB ALA 99 HB1 ALA 99 -9.596 3.708 -6.833 557 2HB ALA 99 HB2 ALA 99 -8.694 3.743 -8.348 558 3HB ALA 99 HB3 ALA 99 -10.454 3.859 -8.366 559 H LYS 100 HN LYS 100 -9.032 5.768 -5.218 560 HA LYS 100 HA LYS 100 -11.816 6.340 -4.472 561 1HB LYS 100 HB2 LYS 100 -9.275 6.059 -2.841 562 2HB LYS 100 HB1 LYS 100 -10.867 6.354 -2.140 563 1HG LYS 100 HG2 LYS 100 -11.245 4.137 -2.186 564 2HG LYS 100 HG1 LYS 100 -11.194 4.205 -3.948 565 1HD LYS 100 HD2 LYS 100 -8.947 3.576 -4.042 566 2HD LYS 100 HD1 LYS 100 -8.625 4.114 -2.394 567 1HE LYS 100 HE2 LYS 100 -9.221 2.117 -1.515 568 2HE LYS 100 HE1 LYS 100 -10.666 2.019 -2.520 569 1HZ LYS 100 HZ1 LYS 100 -9.593 0.873 -4.117 570 2HZ LYS 100 HZ2 LYS 100 -8.573 0.428 -2.832 571 3HZ LYS 100 HZ3 LYS 100 -8.121 1.683 -3.884 572 H GLY 101 HN GLY 101 -8.871 8.103 -5.027 573 1HA GLY 101 HA2 GLY 101 -8.820 10.486 -5.362 574 2HA GLY 101 HA1 GLY 101 -10.328 10.620 -4.456 575 H MET 102 HN MET 102 -8.019 8.563 -3.002 576 HA MET 102 HA MET 102 -7.665 10.493 -0.810 577 1HB MET 102 HB2 MET 102 -6.660 7.651 -1.160 578 2HB MET 102 HB1 MET 102 -6.505 8.606 0.316 579 1HG MET 102 HG2 MET 102 -9.191 8.850 -0.264 580 2HG MET 102 HG1 MET 102 -8.847 7.193 -0.759 581 1HE MET 102 HE1 MET 102 -7.078 5.650 2.143 582 2HE MET 102 HE2 MET 102 -6.150 7.126 1.890 583 3HE MET 102 HE3 MET 102 -6.776 6.239 0.503 584 H LYS 103 HN LYS 103 -5.566 11.191 -0.069 585 HA LYS 103 HA LYS 103 -3.680 11.645 -2.264 586 1HB LYS 103 HB2 LYS 103 -4.253 12.825 0.314 587 2HB LYS 103 HB1 LYS 103 -2.526 12.495 0.168 588 1HG LYS 103 HG2 LYS 103 -2.594 13.616 -2.097 589 2HG LYS 103 HG1 LYS 103 -4.247 14.111 -1.730 590 1HD LYS 103 HD2 LYS 103 -3.491 15.343 0.231 591 2HD LYS 103 HD1 LYS 103 -1.841 14.765 -0.004 592 1HE LYS 103 HE2 LYS 103 -1.650 15.968 -2.095 593 2HE LYS 103 HE1 LYS 103 -3.357 16.410 -2.048 594 1HZ LYS 103 HZ1 LYS 103 -3.011 17.828 -0.243 595 2HZ LYS 103 HZ2 LYS 103 -1.695 18.137 -1.272 596 3HZ LYS 103 HZ3 LYS 103 -1.488 17.173 0.112 597 H VAL 104 HN VAL 104 -1.503 10.887 -2.302 598 HA VAL 104 HA VAL 104 -0.823 8.765 -0.322 599 HB VAL 104 HB VAL 104 -1.757 7.713 -2.394 600 1HG1 VAL 104 HG11 VAL 104 -0.629 7.944 -4.495 601 2HG1 VAL 104 HG12 VAL 104 0.712 8.817 -3.753 602 3HG1 VAL 104 HG13 VAL 104 -0.872 9.581 -3.887 603 1HG2 VAL 104 HG21 VAL 104 0.487 7.023 -0.950 604 2HG2 VAL 104 HG22 VAL 104 1.091 6.994 -2.606 605 3HG2 VAL 104 HG23 VAL 104 -0.289 5.994 -2.154 606 H LYS 105 HN LYS 105 1.481 8.426 -0.104 607 HA LYS 105 HA LYS 105 3.117 10.642 -1.277 608 1HB LYS 105 HB2 LYS 105 2.993 9.512 1.499 609 2HB LYS 105 HB1 LYS 105 4.529 10.145 0.905 610 1HG LYS 105 HG2 LYS 105 3.267 12.253 0.240 611 2HG LYS 105 HG1 LYS 105 1.900 11.621 1.158 612 1HD LYS 105 HD2 LYS 105 3.258 11.532 3.188 613 2HD LYS 105 HD1 LYS 105 4.679 12.066 2.288 614 1HE LYS 105 HE2 LYS 105 3.751 14.223 1.900 615 2HE LYS 105 HE1 LYS 105 2.139 13.701 2.389 616 1HZ LYS 105 HZ1 LYS 105 3.739 13.137 4.536 617 2HZ LYS 105 HZ2 LYS 105 2.661 14.444 4.399 618 3HZ LYS 105 HZ3 LYS 105 4.300 14.644 3.994 619 H LEU 106 HN LEU 106 3.734 9.212 -3.030 620 HA LEU 106 HA LEU 106 4.750 6.611 -2.825 621 1HB LEU 106 HB2 LEU 106 4.885 8.776 -4.749 622 2HB LEU 106 HB1 LEU 106 6.415 7.900 -4.691 623 HG LEU 106 HG LEU 106 3.908 6.282 -4.709 624 1HD1 LEU 106 HD11 LEU 106 4.470 8.272 -6.702 625 2HD1 LEU 106 HD12 LEU 106 3.158 7.093 -6.669 626 3HD1 LEU 106 HD13 LEU 106 4.701 6.674 -7.413 627 1HD2 LEU 106 HD21 LEU 106 6.047 5.148 -4.568 628 2HD2 LEU 106 HD22 LEU 106 6.670 6.060 -5.943 629 3HD2 LEU 106 HD23 LEU 106 5.391 4.869 -6.181 630 H ALA 107 HN ALA 107 6.106 6.135 -1.109 631 HA ALA 107 HA ALA 107 8.399 7.903 -0.530 632 1HB ALA 107 HB1 ALA 107 6.920 5.807 0.878 633 2HB ALA 107 HB2 ALA 107 7.882 7.132 1.534 634 3HB ALA 107 HB3 ALA 107 8.667 5.630 1.046 635 H GLY 108 HN GLY 108 10.543 6.582 -0.080 636 1HA GLY 108 HA2 GLY 108 11.339 4.230 -1.210 637 2HA GLY 108 HA1 GLY 108 11.225 5.283 -2.622 638 H GLY 109 HN GLY 109 13.475 5.350 -3.013 639 1HA GLY 109 HA2 GLY 109 15.015 7.402 -2.044 640 2HA GLY 109 HA1 GLY 109 15.327 6.113 -0.880 641 H LEU 110 HN LEU 110 16.489 7.455 -3.665 642 HA LEU 110 HA LEU 110 17.496 4.872 -4.753 643 1HB LEU 110 HB2 LEU 110 17.175 7.641 -5.853 644 2HB LEU 110 HB1 LEU 110 18.433 6.606 -6.530 645 HG LEU 110 HG LEU 110 16.219 4.926 -6.352 646 1HD1 LEU 110 HD11 LEU 110 15.335 7.673 -6.440 647 2HD1 LEU 110 HD12 LEU 110 14.364 6.201 -6.385 648 3HD1 LEU 110 HD13 LEU 110 14.889 6.854 -7.937 649 1HD2 LEU 110 HD21 LEU 110 18.021 5.362 -8.184 650 2HD2 LEU 110 HD22 LEU 110 16.864 6.529 -8.824 651 3HD2 LEU 110 HD23 LEU 110 16.421 4.826 -8.698 652 H GLU 111 HN GLU 111 18.502 7.793 -3.111 653 HA GLU 111 HA GLU 111 21.126 6.576 -2.588 654 1HB GLU 111 HB2 GLU 111 21.531 7.722 -4.725 655 2HB GLU 111 HB1 GLU 111 20.885 9.221 -4.056 656 1HG GLU 111 HG2 GLU 111 22.668 9.168 -2.311 657 2HG GLU 111 HG1 GLU 111 23.347 7.738 -3.090 Start of MODEL 5 1 HA LYS 29 HA LYS 29 -8.807 20.106 4.240 2 1HB LYS 29 HB2 LYS 29 -8.798 17.706 6.095 3 2HB LYS 29 HB1 LYS 29 -7.401 18.660 5.593 4 1HG LYS 29 HG2 LYS 29 -7.909 20.402 6.999 5 2HG LYS 29 HG1 LYS 29 -9.648 20.150 6.851 6 1HD LYS 29 HD2 LYS 29 -9.183 19.476 9.063 7 2HD LYS 29 HD1 LYS 29 -9.231 17.955 8.169 8 1HE LYS 29 HE2 LYS 29 -6.729 18.129 7.898 9 2HE LYS 29 HE1 LYS 29 -6.765 19.510 8.994 10 1HZ LYS 29 HZ1 LYS 29 -8.198 17.217 9.974 11 2HZ LYS 29 HZ2 LYS 29 -7.048 18.196 10.754 12 3HZ LYS 29 HZ3 LYS 29 -6.543 16.924 9.747 13 H GLY 30 HN GLY 30 -7.347 18.799 2.902 14 1HA GLY 30 HA2 GLY 30 -8.592 16.328 1.788 15 2HA GLY 30 HA1 GLY 30 -8.077 17.612 0.692 16 H ASP 31 HN ASP 31 -6.650 15.940 3.527 17 HA ASP 31 HA ASP 31 -4.090 15.814 1.996 18 1HB ASP 31 HB2 ASP 31 -4.703 16.512 4.695 19 2HB ASP 31 HB1 ASP 31 -3.763 15.019 4.726 20 H GLY 32 HN GLY 32 -4.100 13.883 0.898 21 1HA GLY 32 HA2 GLY 32 -4.814 11.437 2.469 22 2HA GLY 32 HA1 GLY 32 -5.062 11.572 0.727 23 H VAL 33 HN VAL 33 -3.219 9.911 2.683 24 HA VAL 33 HA VAL 33 -0.974 9.826 0.782 25 HB VAL 33 HB VAL 33 0.677 9.983 2.738 26 1HG1 VAL 33 HG11 VAL 33 -0.092 11.816 0.963 27 2HG1 VAL 33 HG12 VAL 33 1.003 12.229 2.283 28 3HG1 VAL 33 HG13 VAL 33 -0.715 12.610 2.409 29 1HG2 VAL 33 HG21 VAL 33 -0.114 10.378 4.813 30 2HG2 VAL 33 HG22 VAL 33 -1.745 10.168 4.175 31 3HG2 VAL 33 HG23 VAL 33 -1.026 11.777 4.244 32 H VAL 34 HN VAL 34 0.077 7.806 0.830 33 HA VAL 34 HA VAL 34 -0.956 5.857 2.850 34 HB VAL 34 HB VAL 34 -0.437 5.301 -0.088 35 1HG1 VAL 34 HG11 VAL 34 -1.406 3.632 2.239 36 2HG1 VAL 34 HG12 VAL 34 -0.059 3.303 1.149 37 3HG1 VAL 34 HG13 VAL 34 -1.718 3.171 0.565 38 1HG2 VAL 34 HG21 VAL 34 -2.445 6.435 -0.213 39 2HG2 VAL 34 HG22 VAL 34 -2.870 6.079 1.461 40 3HG2 VAL 34 HG23 VAL 34 -3.062 4.840 0.220 41 H ARG 35 HN ARG 35 0.563 4.283 3.533 42 HA ARG 35 HA ARG 35 3.385 4.958 2.849 43 1HB ARG 35 HB2 ARG 35 2.787 5.054 5.242 44 2HB ARG 35 HB1 ARG 35 2.256 3.373 5.178 45 1HG ARG 35 HG2 ARG 35 4.476 2.596 4.715 46 2HG ARG 35 HG1 ARG 35 5.058 4.236 4.431 47 1HD ARG 35 HD2 ARG 35 3.859 4.163 7.024 48 2HD ARG 35 HD1 ARG 35 4.977 2.804 6.900 49 HE ARG 35 HE ARG 35 6.117 5.305 5.925 50 1HH1 ARG 35 HH11 ARG 35 7.004 2.776 7.704 51 2HH1 ARG 35 HH12 ARG 35 7.611 3.641 9.076 52 1HH2 ARG 35 HH21 ARG 35 6.235 6.672 8.107 53 2HH2 ARG 35 HH22 ARG 35 7.176 5.847 9.304 54 H ILE 36 HN ILE 36 3.817 3.717 1.024 55 HA ILE 36 HA ILE 36 3.169 0.809 1.168 56 HB ILE 36 HB ILE 36 4.154 2.334 -1.252 57 1HG1 ILE 36 HG12 ILE 36 1.261 1.668 -0.764 58 2HG1 ILE 36 HG11 ILE 36 1.938 3.156 -0.102 59 1HG2 ILE 36 HG21 ILE 36 2.731 -0.304 -0.810 60 2HG2 ILE 36 HG22 ILE 36 4.347 -0.059 -1.473 61 3HG2 ILE 36 HG23 ILE 36 2.930 0.437 -2.398 62 1HD1 ILE 36 HD11 ILE 36 1.943 4.150 -2.126 63 2HD1 ILE 36 HD12 ILE 36 0.986 2.787 -2.706 64 3HD1 ILE 36 HD13 ILE 36 2.742 2.766 -2.871 65 H GLN 37 HN GLN 37 4.855 -0.250 2.131 66 HA GLN 37 HA GLN 37 7.568 0.208 0.987 67 1HB GLN 37 HB2 GLN 37 8.452 -0.142 3.368 68 2HB GLN 37 HB1 GLN 37 7.694 1.416 3.040 69 1HG GLN 37 HG2 GLN 37 5.850 0.951 4.334 70 2HG GLN 37 HG1 GLN 37 5.919 -0.779 3.996 71 1HE2 GLN 37 HE21 GLN 37 6.150 -1.725 6.050 72 2HE2 GLN 37 HE22 GLN 37 7.345 -1.290 7.174 73 H ARG 38 HN ARG 38 8.705 -1.693 0.667 74 HA ARG 38 HA ARG 38 7.232 -4.200 1.223 75 1HB ARG 38 HB2 ARG 38 8.740 -5.237 -0.345 76 2HB ARG 38 HB1 ARG 38 8.241 -3.697 -1.046 77 1HG ARG 38 HG2 ARG 38 10.369 -2.760 0.168 78 2HG ARG 38 HG1 ARG 38 10.882 -4.448 0.176 79 1HD ARG 38 HD2 ARG 38 10.315 -4.451 -2.336 80 2HD ARG 38 HD1 ARG 38 10.277 -2.692 -2.204 81 HE ARG 38 HE ARG 38 12.667 -2.821 -1.459 82 1HH1 ARG 38 HH21 ARG 38 11.984 -5.983 -1.409 83 2HH1 ARG 38 HH22 ARG 38 13.117 -6.489 -2.617 84 1HH2 ARG 38 HH11 ARG 38 13.797 -3.268 -3.706 85 2HH2 ARG 38 HH12 ARG 38 14.143 -4.952 -3.918 86 H GLN 39 HN GLN 39 7.797 -5.514 2.891 87 HA GLN 39 HA GLN 39 10.446 -5.026 4.195 88 1HB GLN 39 HB2 GLN 39 8.152 -4.610 5.435 89 2HB GLN 39 HB1 GLN 39 8.165 -6.365 5.614 90 1HG GLN 39 HG2 GLN 39 10.330 -6.287 6.718 91 2HG GLN 39 HG1 GLN 39 10.454 -4.552 6.428 92 1HE2 GLN 39 HE21 GLN 39 7.374 -6.043 7.332 93 2HE2 GLN 39 HE22 GLN 39 7.300 -5.367 8.887 94 H THR 40 HN THR 40 11.382 -6.598 2.674 95 HA THR 40 HA THR 40 10.534 -9.231 2.245 96 HB THR 40 HB THR 40 13.079 -9.730 2.135 97 HG1 THR 40 HG1 THR 40 14.152 -8.218 3.120 98 1HG2 THR 40 HG21 THR 40 11.484 -9.018 0.248 99 2HG2 THR 40 HG22 THR 40 13.205 -8.740 -0.015 100 3HG2 THR 40 HG23 THR 40 12.156 -7.401 0.453 101 H SER 41 HN SER 41 11.366 -11.259 3.260 102 HA SER 41 HA SER 41 12.246 -11.006 6.072 103 1HB SER 41 HB2 SER 41 9.915 -12.811 5.607 104 2HB SER 41 HB1 SER 41 10.374 -11.925 7.058 105 HG SER 41 HG SER 41 8.486 -11.183 5.696 106 H GLY 42 HN GLY 42 13.537 -12.029 3.707 107 1HA GLY 42 HA2 GLY 42 14.876 -14.249 4.478 108 2HA GLY 42 HA1 GLY 42 13.371 -14.965 3.899 109 H ARG 43 HN ARG 43 15.661 -15.663 2.581 110 HA ARG 43 HA ARG 43 15.706 -13.960 0.130 111 1HB ARG 43 HB2 ARG 43 17.647 -15.986 1.258 112 2HB ARG 43 HB1 ARG 43 17.768 -15.394 -0.399 113 1HG ARG 43 HG2 ARG 43 17.905 -13.075 0.437 114 2HG ARG 43 HG1 ARG 43 17.791 -13.667 2.095 115 1HD ARG 43 HD2 ARG 43 19.871 -14.943 1.801 116 2HD ARG 43 HD1 ARG 43 19.981 -14.397 0.127 117 HE ARG 43 HE ARG 43 19.808 -12.107 1.821 118 1HH1 ARG 43 HH11 ARG 43 21.887 -14.495 0.506 119 2HH1 ARG 43 HH12 ARG 43 23.342 -13.740 1.066 120 1HH2 ARG 43 HH21 ARG 43 21.688 -11.212 2.768 121 2HH2 ARG 43 HH22 ARG 43 23.229 -11.881 2.347 122 H LYS 44 HN LYS 44 13.429 -15.475 0.362 123 HA LYS 44 HA LYS 44 13.910 -17.620 -1.662 124 1HB LYS 44 HB2 LYS 44 12.107 -17.718 0.772 125 2HB LYS 44 HB1 LYS 44 12.015 -18.878 -0.555 126 1HG LYS 44 HG2 LYS 44 14.294 -19.594 -0.174 127 2HG LYS 44 HG1 LYS 44 14.544 -18.316 1.016 128 1HD LYS 44 HD2 LYS 44 12.976 -19.322 2.541 129 2HD LYS 44 HD1 LYS 44 12.451 -20.483 1.321 130 1HE LYS 44 HE2 LYS 44 14.421 -21.727 1.463 131 2HE LYS 44 HE1 LYS 44 15.348 -20.372 2.106 132 1HZ LYS 44 HZ1 LYS 44 13.172 -21.056 3.808 133 2HZ LYS 44 HZ2 LYS 44 14.828 -20.944 4.169 134 3HZ LYS 44 HZ3 LYS 44 14.186 -22.391 3.552 135 H GLY 45 HN GLY 45 13.254 -15.093 -2.481 136 1HA GLY 45 HA2 GLY 45 11.654 -13.881 -3.698 137 2HA GLY 45 HA1 GLY 45 10.925 -15.452 -4.032 138 H LYS 46 HN LYS 46 11.308 -13.819 -0.892 139 HA LYS 46 HA LYS 46 8.373 -14.120 -0.500 140 1HB LYS 46 HB2 LYS 46 10.613 -14.539 1.178 141 2HB LYS 46 HB1 LYS 46 9.774 -13.126 1.819 142 1HG LYS 46 HG2 LYS 46 7.648 -14.390 1.815 143 2HG LYS 46 HG1 LYS 46 8.499 -15.807 1.198 144 1HD LYS 46 HD2 LYS 46 9.938 -15.812 3.212 145 2HD LYS 46 HD1 LYS 46 9.057 -14.417 3.835 146 1HE LYS 46 HE2 LYS 46 6.960 -15.745 3.792 147 2HE LYS 46 HE1 LYS 46 7.875 -17.144 3.231 148 1HZ LYS 46 HZ1 LYS 46 7.501 -17.103 5.660 149 2HZ LYS 46 HZ2 LYS 46 8.437 -15.688 5.756 150 3HZ LYS 46 HZ3 LYS 46 9.142 -17.143 5.236 151 H GLY 47 HN GLY 47 7.760 -12.262 -1.775 152 1HA GLY 47 HA2 GLY 47 8.695 -9.632 -0.728 153 2HA GLY 47 HA1 GLY 47 7.917 -9.878 -2.292 154 H VAL 48 HN VAL 48 7.312 -8.398 0.469 155 HA VAL 48 HA VAL 48 4.389 -8.872 0.245 156 HB VAL 48 HB VAL 48 4.177 -8.967 2.720 157 1HG1 VAL 48 HG11 VAL 48 5.147 -11.265 2.986 158 2HG1 VAL 48 HG12 VAL 48 5.984 -11.045 1.450 159 3HG1 VAL 48 HG13 VAL 48 4.222 -11.069 1.498 160 1HG2 VAL 48 HG21 VAL 48 5.947 -8.675 4.120 161 2HG2 VAL 48 HG22 VAL 48 6.730 -7.946 2.719 162 3HG2 VAL 48 HG23 VAL 48 7.022 -9.641 3.109 163 H CYS 49 HN CYS 49 3.139 -7.053 1.042 164 HA CYS 49 HA CYS 49 4.774 -4.591 1.510 165 1HB CYS 49 HB2 CYS 49 3.204 -5.113 -0.729 166 2HB CYS 49 HB1 CYS 49 2.168 -4.105 0.281 167 HG CYS 49 HG CYS 49 4.450 -3.058 -1.299 168 H LEU 50 HN LEU 50 4.269 -3.616 3.410 169 HA LEU 50 HA LEU 50 1.683 -4.353 4.705 170 1HB LEU 50 HB2 LEU 50 4.383 -3.557 5.754 171 2HB LEU 50 HB1 LEU 50 2.951 -3.264 6.741 172 HG LEU 50 HG LEU 50 2.355 -5.739 6.219 173 1HD1 LEU 50 HD11 LEU 50 5.211 -5.510 5.312 174 2HD1 LEU 50 HD12 LEU 50 3.877 -6.396 4.572 175 3HD1 LEU 50 HD13 LEU 50 4.645 -7.016 6.034 176 1HD2 LEU 50 HD21 LEU 50 4.408 -4.647 8.097 177 2HD2 LEU 50 HD22 LEU 50 4.235 -6.400 8.004 178 3HD2 LEU 50 HD23 LEU 50 2.853 -5.400 8.451 179 H ILE 51 HN ILE 51 0.157 -2.816 4.304 180 HA ILE 51 HA ILE 51 1.014 0.021 4.061 181 HB ILE 51 HB ILE 51 -1.804 -0.941 3.644 182 1HG1 ILE 51 HG12 ILE 51 -0.253 -2.502 2.434 183 2HG1 ILE 51 HG11 ILE 51 -1.270 -1.553 1.349 184 1HG2 ILE 51 HG21 ILE 51 -1.674 1.377 3.393 185 2HG2 ILE 51 HG22 ILE 51 -1.425 0.830 1.735 186 3HG2 ILE 51 HG23 ILE 51 -0.045 1.313 2.721 187 1HD1 ILE 51 HD11 ILE 51 1.258 -0.226 2.042 188 2HD1 ILE 51 HD12 ILE 51 0.505 -0.454 0.464 189 3HD1 ILE 51 HD13 ILE 51 1.475 -1.745 1.172 190 H THR 52 HN THR 52 0.907 1.219 5.893 191 HA THR 52 HA THR 52 -1.473 1.036 7.610 192 HB THR 52 HB THR 52 1.236 0.683 8.899 193 HG1 THR 52 HG1 THR 52 -0.651 -1.304 8.169 194 1HG2 THR 52 HG21 THR 52 -1.196 1.386 9.936 195 2HG2 THR 52 HG22 THR 52 0.072 0.565 10.847 196 3HG2 THR 52 HG23 THR 52 -1.235 -0.368 10.118 197 H GLY 53 HN GLY 53 0.019 3.008 5.876 198 1HA GLY 53 HA2 GLY 53 0.455 5.099 7.975 199 2HA GLY 53 HA1 GLY 53 1.355 5.066 6.457 200 H VAL 54 HN VAL 54 -2.055 4.278 6.569 201 HA VAL 54 HA VAL 54 -2.595 6.538 4.751 202 HB VAL 54 HB VAL 54 -4.537 4.456 5.787 203 1HG1 VAL 54 HG11 VAL 54 -4.503 6.396 3.468 204 2HG1 VAL 54 HG12 VAL 54 -5.704 6.258 4.752 205 3HG1 VAL 54 HG13 VAL 54 -5.589 5.007 3.514 206 1HG2 VAL 54 HG21 VAL 54 -2.340 4.288 3.811 207 2HG2 VAL 54 HG22 VAL 54 -3.898 3.683 3.245 208 3HG2 VAL 54 HG23 VAL 54 -3.160 2.999 4.693 209 H ASP 55 HN ASP 55 -3.476 8.432 5.443 210 HA ASP 55 HA ASP 55 -4.682 8.473 8.182 211 1HB ASP 55 HB2 ASP 55 -2.550 9.774 7.911 212 2HB ASP 55 HB1 ASP 55 -3.366 10.774 6.709 213 H LEU 56 HN LEU 56 -6.771 7.944 7.191 214 HA LEU 56 HA LEU 56 -8.110 10.381 6.163 215 1HB LEU 56 HB2 LEU 56 -7.579 7.943 4.603 216 2HB LEU 56 HB1 LEU 56 -9.274 8.430 4.606 217 HG LEU 56 HG LEU 56 -7.113 10.467 4.118 218 1HD1 LEU 56 HD11 LEU 56 -7.856 8.220 2.398 219 2HD1 LEU 56 HD12 LEU 56 -6.517 9.356 2.240 220 3HD1 LEU 56 HD13 LEU 56 -8.111 9.780 1.617 221 1HD2 LEU 56 HD21 LEU 56 -9.135 11.577 4.316 222 2HD2 LEU 56 HD22 LEU 56 -10.068 10.196 3.741 223 3HD2 LEU 56 HD23 LEU 56 -9.180 11.199 2.594 224 H ASP 57 HN ASP 57 -10.615 9.466 5.748 225 HA ASP 57 HA ASP 57 -11.642 9.015 8.361 226 1HB ASP 57 HB2 ASP 57 -12.714 9.088 5.616 227 2HB ASP 57 HB1 ASP 57 -13.626 8.055 6.717 228 H ASP 58 HN ASP 58 -12.971 7.025 8.973 229 HA ASP 58 HA ASP 58 -11.282 4.665 8.720 230 1HB ASP 58 HB2 ASP 58 -13.765 5.399 10.204 231 2HB ASP 58 HB1 ASP 58 -13.470 3.684 9.919 232 H ALA 59 HN ALA 59 -14.625 5.453 7.712 233 HA ALA 59 HA ALA 59 -14.966 2.996 6.236 234 1HB ALA 59 HB1 ALA 59 -16.407 5.659 6.046 235 2HB ALA 59 HB2 ALA 59 -16.913 4.255 6.986 236 3HB ALA 59 HB3 ALA 59 -16.924 4.187 5.223 237 H GLU 60 HN GLU 60 -13.588 6.127 5.488 238 HA GLU 60 HA GLU 60 -13.639 5.828 2.613 239 1HB GLU 60 HB2 GLU 60 -13.156 7.937 4.178 240 2HB GLU 60 HB1 GLU 60 -11.486 7.417 3.948 241 1HG GLU 60 HG2 GLU 60 -11.670 7.589 1.560 242 2HG GLU 60 HG1 GLU 60 -13.418 7.809 1.650 243 H LEU 61 HN LEU 61 -11.319 4.971 5.151 244 HA LEU 61 HA LEU 61 -9.187 4.208 3.384 245 1HB LEU 61 HB2 LEU 61 -9.686 4.205 6.200 246 2HB LEU 61 HB1 LEU 61 -9.138 2.592 5.741 247 HG LEU 61 HG LEU 61 -7.527 4.429 4.305 248 1HD1 LEU 61 HD11 LEU 61 -7.401 6.252 5.624 249 2HD1 LEU 61 HD12 LEU 61 -6.680 5.229 6.866 250 3HD1 LEU 61 HD13 LEU 61 -8.423 5.498 6.848 251 1HD2 LEU 61 HD21 LEU 61 -6.154 2.747 4.910 252 2HD2 LEU 61 HD22 LEU 61 -7.301 2.205 6.136 253 3HD2 LEU 61 HD23 LEU 61 -6.098 3.431 6.535 254 H THR 62 HN THR 62 -11.990 2.489 4.681 255 HA THR 62 HA THR 62 -11.191 -0.131 3.808 256 HB THR 62 HB THR 62 -14.068 0.742 3.970 257 HG1 THR 62 HG1 THR 62 -12.349 0.186 6.155 258 1HG2 THR 62 HG21 THR 62 -12.467 -1.756 4.455 259 2HG2 THR 62 HG22 THR 62 -13.904 -1.536 3.456 260 3HG2 THR 62 HG23 THR 62 -14.046 -1.554 5.214 261 H LYS 63 HN LYS 63 -12.786 2.567 2.211 262 HA LYS 63 HA LYS 63 -13.658 1.046 -0.096 263 1HB LYS 63 HB2 LYS 63 -13.503 3.917 0.674 264 2HB LYS 63 HB1 LYS 63 -13.522 3.564 -1.054 265 1HG LYS 63 HG2 LYS 63 -15.554 2.167 -0.722 266 2HG LYS 63 HG1 LYS 63 -15.555 2.612 0.985 267 1HD LYS 63 HD2 LYS 63 -15.530 5.065 0.103 268 2HD LYS 63 HD1 LYS 63 -16.077 4.353 -1.415 269 1HE LYS 63 HE2 LYS 63 -17.964 3.279 -0.214 270 2HE LYS 63 HE1 LYS 63 -17.432 4.049 1.281 271 1HZ LYS 63 HZ1 LYS 63 -17.546 6.102 -0.489 272 2HZ LYS 63 HZ2 LYS 63 -18.734 5.727 0.666 273 3HZ LYS 63 HZ3 LYS 63 -18.885 5.159 -0.928 274 H LEU 64 HN LEU 64 -10.898 3.249 0.481 275 HA LEU 64 HA LEU 64 -9.687 3.022 -2.060 276 1HB LEU 64 HB2 LEU 64 -9.047 4.452 0.055 277 2HB LEU 64 HB1 LEU 64 -8.005 3.079 0.430 278 HG LEU 64 HG LEU 64 -7.389 3.398 -2.179 279 1HD1 LEU 64 HD11 LEU 64 -8.149 5.355 -2.994 280 2HD1 LEU 64 HD12 LEU 64 -7.155 6.191 -1.802 281 3HD1 LEU 64 HD13 LEU 64 -8.829 5.784 -1.425 282 1HD2 LEU 64 HD21 LEU 64 -5.943 3.436 -0.039 283 2HD2 LEU 64 HD22 LEU 64 -6.140 5.188 -0.089 284 3HD2 LEU 64 HD23 LEU 64 -5.349 4.351 -1.424 285 H ALA 65 HN ALA 65 -9.169 1.005 0.848 286 HA ALA 65 HA ALA 65 -7.290 -0.780 -0.349 287 1HB ALA 65 HB1 ALA 65 -7.631 -0.724 2.073 288 2HB ALA 65 HB2 ALA 65 -7.964 -2.348 1.472 289 3HB ALA 65 HB3 ALA 65 -9.298 -1.267 1.874 290 H ALA 66 HN ALA 66 -10.831 -0.750 -0.299 291 HA ALA 66 HA ALA 66 -11.262 -3.353 -1.363 292 1HB ALA 66 HB1 ALA 66 -13.405 -2.698 -1.163 293 2HB ALA 66 HB2 ALA 66 -13.184 -1.496 -2.435 294 3HB ALA 66 HB3 ALA 66 -12.841 -1.077 -0.756 295 H GLU 67 HN GLU 67 -10.871 -0.220 -3.045 296 HA GLU 67 HA GLU 67 -11.023 -1.422 -5.677 297 1HB GLU 67 HB2 GLU 67 -10.533 1.258 -4.546 298 2HB GLU 67 HB1 GLU 67 -9.683 0.943 -6.060 299 1HG GLU 67 HG2 GLU 67 -11.812 0.226 -7.100 300 2HG GLU 67 HG1 GLU 67 -12.658 0.575 -5.592 301 H LEU 68 HN LEU 68 -8.526 -1.107 -3.312 302 HA LEU 68 HA LEU 68 -6.259 -1.224 -5.108 303 1HB LEU 68 HB2 LEU 68 -6.688 -1.738 -2.175 304 2HB LEU 68 HB1 LEU 68 -5.165 -2.208 -2.929 305 HG LEU 68 HG LEU 68 -6.218 0.545 -3.452 306 1HD1 LEU 68 HD11 LEU 68 -6.277 0.989 -1.228 307 2HD1 LEU 68 HD12 LEU 68 -4.519 0.863 -1.288 308 3HD1 LEU 68 HD13 LEU 68 -5.487 -0.535 -0.822 309 1HD2 LEU 68 HD21 LEU 68 -3.537 -0.834 -3.243 310 2HD2 LEU 68 HD22 LEU 68 -3.667 0.925 -3.255 311 3HD2 LEU 68 HD23 LEU 68 -4.237 -0.011 -4.637 312 H LYS 69 HN LYS 69 -7.543 -3.739 -2.907 313 HA LYS 69 HA LYS 69 -6.183 -5.904 -4.168 314 1HB LYS 69 HB2 LYS 69 -7.832 -7.338 -2.967 315 2HB LYS 69 HB1 LYS 69 -7.136 -6.102 -1.919 316 1HG LYS 69 HG2 LYS 69 -9.138 -5.113 -1.593 317 2HG LYS 69 HG1 LYS 69 -9.507 -5.137 -3.318 318 1HD LYS 69 HD2 LYS 69 -10.477 -7.266 -3.217 319 2HD LYS 69 HD1 LYS 69 -9.640 -7.682 -1.721 320 1HE LYS 69 HE2 LYS 69 -11.059 -5.555 -0.854 321 2HE LYS 69 HE1 LYS 69 -12.143 -6.127 -2.121 322 1HZ LYS 69 HZ1 LYS 69 -11.589 -7.266 0.432 323 2HZ LYS 69 HZ2 LYS 69 -11.336 -8.392 -0.814 324 3HZ LYS 69 HZ3 LYS 69 -12.842 -7.620 -0.654 325 H LYS 70 HN LYS 70 -8.815 -4.038 -5.266 326 HA LYS 70 HA LYS 70 -10.275 -6.040 -6.722 327 1HB LYS 70 HB2 LYS 70 -10.524 -3.295 -6.283 328 2HB LYS 70 HB1 LYS 70 -10.227 -3.423 -8.017 329 1HG LYS 70 HG2 LYS 70 -12.151 -4.678 -8.395 330 2HG LYS 70 HG1 LYS 70 -12.201 -5.288 -6.741 331 1HD LYS 70 HD2 LYS 70 -13.780 -3.711 -6.371 332 2HD LYS 70 HD1 LYS 70 -12.452 -2.551 -6.400 333 1HE LYS 70 HE2 LYS 70 -12.766 -2.191 -8.796 334 2HE LYS 70 HE1 LYS 70 -14.021 -3.429 -8.842 335 1HZ LYS 70 HZ1 LYS 70 -14.483 -1.417 -6.848 336 2HZ LYS 70 HZ2 LYS 70 -15.529 -2.021 -8.043 337 3HZ LYS 70 HZ3 LYS 70 -14.428 -0.783 -8.420 338 H LYS 71 HN LYS 71 -7.723 -3.749 -7.769 339 HA LYS 71 HA LYS 71 -7.302 -5.507 -10.155 340 1HB LYS 71 HB2 LYS 71 -6.477 -2.616 -9.760 341 2HB LYS 71 HB1 LYS 71 -6.311 -3.555 -11.244 342 1HG LYS 71 HG2 LYS 71 -8.448 -3.151 -11.827 343 2HG LYS 71 HG1 LYS 71 -9.037 -3.653 -10.241 344 1HD LYS 71 HD2 LYS 71 -8.065 -1.328 -9.472 345 2HD LYS 71 HD1 LYS 71 -8.229 -0.919 -11.179 346 1HE LYS 71 HE2 LYS 71 -10.612 -2.266 -10.375 347 2HE LYS 71 HE1 LYS 71 -10.273 -1.014 -9.180 348 1HZ LYS 71 HZ1 LYS 71 -9.785 0.332 -11.397 349 2HZ LYS 71 HZ2 LYS 71 -11.333 0.249 -10.701 350 3HZ LYS 71 HZ3 LYS 71 -10.931 -0.760 -12.006 351 H CYS 72 HN CYS 72 -6.182 -5.965 -7.447 352 HA CYS 72 HA CYS 72 -3.308 -5.335 -7.846 353 1HB CYS 72 HB2 CYS 72 -4.222 -4.913 -5.613 354 2HB CYS 72 HB1 CYS 72 -4.776 -6.584 -5.503 355 HG CYS 72 HG CYS 72 -2.211 -7.315 -5.608 356 H GLY 73 HN GLY 73 -5.519 -7.852 -8.425 357 1HA GLY 73 HA2 GLY 73 -4.963 -9.870 -9.589 358 2HA GLY 73 HA1 GLY 73 -3.280 -9.651 -9.114 359 H CYS 74 HN CYS 74 -3.926 -9.223 -6.265 360 HA CYS 74 HA CYS 74 -5.450 -11.365 -5.178 361 1HB CYS 74 HB2 CYS 74 -3.945 -12.911 -6.210 362 2HB CYS 74 HB1 CYS 74 -2.534 -11.974 -5.717 363 HG CYS 74 HG CYS 74 -2.555 -13.143 -3.532 364 H GLY 75 HN GLY 75 -5.901 -10.318 -3.292 365 1HA GLY 75 HA2 GLY 75 -3.796 -8.712 -1.971 366 2HA GLY 75 HA1 GLY 75 -5.504 -8.731 -1.535 367 H GLY 76 HN GLY 76 -5.046 -9.128 0.699 368 1HA GLY 76 HA2 GLY 76 -4.607 -11.962 1.323 369 2HA GLY 76 HA1 GLY 76 -3.350 -10.884 1.926 370 H ALA 77 HN ALA 77 -4.000 -9.201 3.476 371 HA ALA 77 HA ALA 77 -6.489 -9.968 4.954 372 1HB ALA 77 HB1 ALA 77 -5.327 -8.952 6.948 373 2HB ALA 77 HB2 ALA 77 -3.881 -8.790 5.952 374 3HB ALA 77 HB3 ALA 77 -4.532 -10.391 6.310 375 H VAL 78 HN VAL 78 -8.075 -8.472 4.739 376 HA VAL 78 HA VAL 78 -7.268 -5.632 4.279 377 HB VAL 78 HB VAL 78 -9.873 -7.046 3.631 378 1HG1 VAL 78 HG11 VAL 78 -10.761 -5.023 3.037 379 2HG1 VAL 78 HG12 VAL 78 -9.207 -4.386 2.498 380 3HG1 VAL 78 HG13 VAL 78 -9.602 -4.408 4.217 381 1HG2 VAL 78 HG21 VAL 78 -9.174 -6.859 1.323 382 2HG2 VAL 78 HG22 VAL 78 -7.853 -7.614 2.215 383 3HG2 VAL 78 HG23 VAL 78 -7.760 -5.909 1.777 384 H LYS 79 HN LYS 79 -7.528 -4.332 6.016 385 HA LYS 79 HA LYS 79 -9.930 -4.583 7.699 386 1HB LYS 79 HB2 LYS 79 -7.323 -5.601 8.526 387 2HB LYS 79 HB1 LYS 79 -7.918 -4.354 9.622 388 1HG LYS 79 HG2 LYS 79 -10.158 -5.631 9.570 389 2HG LYS 79 HG1 LYS 79 -9.238 -6.960 8.864 390 1HD LYS 79 HD2 LYS 79 -8.326 -5.611 11.403 391 2HD LYS 79 HD1 LYS 79 -9.499 -6.929 11.439 392 1HE LYS 79 HE2 LYS 79 -7.939 -8.498 10.913 393 2HE LYS 79 HE1 LYS 79 -7.136 -7.443 9.749 394 1HZ LYS 79 HZ1 LYS 79 -6.128 -6.244 11.592 395 2HZ LYS 79 HZ2 LYS 79 -5.715 -7.891 11.643 396 3HZ LYS 79 HZ3 LYS 79 -6.889 -7.274 12.705 397 H ASP 80 HN ASP 80 -10.330 -2.633 8.883 398 HA ASP 80 HA ASP 80 -9.188 -0.253 7.699 399 1HB ASP 80 HB2 ASP 80 -11.513 -0.349 8.581 400 2HB ASP 80 HB1 ASP 80 -10.866 -0.525 10.213 401 H GLY 81 HN GLY 81 -6.956 -0.129 8.125 402 1HA GLY 81 HA2 GLY 81 -5.603 1.170 9.857 403 2HA GLY 81 HA1 GLY 81 -6.200 -0.014 11.019 404 H VAL 82 HN VAL 82 -5.881 -1.933 8.494 405 HA VAL 82 HA VAL 82 -2.957 -2.175 8.375 406 HB VAL 82 HB VAL 82 -4.669 -4.223 9.811 407 1HG1 VAL 82 HG11 VAL 82 -2.364 -4.608 8.136 408 2HG1 VAL 82 HG12 VAL 82 -3.265 -5.811 9.060 409 3HG1 VAL 82 HG13 VAL 82 -1.922 -4.947 9.809 410 1HG2 VAL 82 HG21 VAL 82 -2.704 -3.866 11.485 411 2HG2 VAL 82 HG22 VAL 82 -3.945 -2.617 11.380 412 3HG2 VAL 82 HG23 VAL 82 -2.395 -2.391 10.569 413 H ILE 83 HN ILE 83 -2.837 -2.393 6.180 414 HA ILE 83 HA ILE 83 -4.634 -4.424 4.911 415 HB ILE 83 HB ILE 83 -3.380 -1.994 3.598 416 1HG1 ILE 83 HG12 ILE 83 -6.300 -2.096 3.820 417 2HG1 ILE 83 HG11 ILE 83 -5.506 -2.033 5.394 418 1HG2 ILE 83 HG21 ILE 83 -4.791 -2.559 1.714 419 2HG2 ILE 83 HG22 ILE 83 -5.570 -3.852 2.627 420 3HG2 ILE 83 HG23 ILE 83 -3.878 -4.002 2.156 421 1HD1 ILE 83 HD11 ILE 83 -4.332 -0.209 3.408 422 2HD1 ILE 83 HD12 ILE 83 -4.798 0.099 5.081 423 3HD1 ILE 83 HD13 ILE 83 -6.012 0.157 3.802 424 H GLU 84 HN GLU 84 -3.347 -6.223 4.763 425 HA GLU 84 HA GLU 84 -0.500 -5.914 4.008 426 1HB GLU 84 HB2 GLU 84 -1.492 -7.544 5.818 427 2HB GLU 84 HB1 GLU 84 -1.854 -8.564 4.426 428 1HG GLU 84 HG2 GLU 84 0.567 -8.303 3.728 429 2HG GLU 84 HG1 GLU 84 0.859 -7.533 5.288 430 H ILE 85 HN ILE 85 -0.125 -5.755 1.847 431 HA ILE 85 HA ILE 85 -1.927 -7.198 -0.031 432 HB ILE 85 HB ILE 85 0.229 -5.133 -0.579 433 1HG1 ILE 85 HG12 ILE 85 -1.702 -4.236 0.696 434 2HG1 ILE 85 HG11 ILE 85 -1.665 -3.600 -0.949 435 1HG2 ILE 85 HG21 ILE 85 0.026 -6.154 -2.631 436 2HG2 ILE 85 HG22 ILE 85 -1.370 -5.082 -2.739 437 3HG2 ILE 85 HG23 ILE 85 -1.588 -6.771 -2.281 438 1HD1 ILE 85 HD11 ILE 85 -3.728 -4.416 -1.309 439 2HD1 ILE 85 HD12 ILE 85 -3.760 -5.072 0.328 440 3HD1 ILE 85 HD13 ILE 85 -3.132 -6.047 -1.001 441 H GLN 86 HN GLN 86 -1.077 -9.329 0.265 442 HA GLN 86 HA GLN 86 1.687 -10.007 0.212 443 1HB GLN 86 HB2 GLN 86 -0.786 -11.567 -0.572 444 2HB GLN 86 HB1 GLN 86 0.828 -12.278 -0.568 445 1HG GLN 86 HG2 GLN 86 1.050 -11.527 1.839 446 2HG GLN 86 HG1 GLN 86 -0.661 -11.099 1.790 447 1HE2 GLN 86 HE21 GLN 86 -0.423 -12.955 3.613 448 2HE2 GLN 86 HE22 GLN 86 -0.739 -14.527 3.057 449 H GLY 87 HN GLY 87 2.950 -9.217 -1.440 450 1HA GLY 87 HA2 GLY 87 3.210 -10.328 -3.915 451 2HA GLY 87 HA1 GLY 87 1.940 -9.136 -4.196 452 H ASP 88 HN ASP 88 4.671 -9.146 -5.287 453 HA ASP 88 HA ASP 88 5.746 -6.674 -3.992 454 1HB ASP 88 HB2 ASP 88 7.326 -8.563 -3.998 455 2HB ASP 88 HB1 ASP 88 7.151 -8.713 -5.747 456 H LYS 89 HN LYS 89 4.582 -5.106 -5.139 457 HA LYS 89 HA LYS 89 5.274 -4.893 -8.024 458 1HB LYS 89 HB2 LYS 89 2.573 -5.240 -6.864 459 2HB LYS 89 HB1 LYS 89 2.720 -3.936 -8.043 460 1HG LYS 89 HG2 LYS 89 3.883 -5.603 -9.571 461 2HG LYS 89 HG1 LYS 89 3.388 -6.861 -8.437 462 1HD LYS 89 HD2 LYS 89 1.014 -6.075 -8.711 463 2HD LYS 89 HD1 LYS 89 1.574 -4.990 -9.983 464 1HE LYS 89 HE2 LYS 89 2.703 -7.383 -10.737 465 2HE LYS 89 HE1 LYS 89 1.163 -7.902 -10.053 466 1HZ LYS 89 HZ1 LYS 89 1.444 -5.741 -12.067 467 2HZ LYS 89 HZ2 LYS 89 -0.002 -6.427 -11.498 468 3HZ LYS 89 HZ3 LYS 89 1.063 -7.349 -12.448 469 H ARG 90 HN ARG 90 6.528 -3.450 -6.046 470 HA ARG 90 HA ARG 90 5.417 -1.045 -5.158 471 1HB ARG 90 HB2 ARG 90 7.688 -0.141 -5.150 472 2HB ARG 90 HB1 ARG 90 7.727 -1.828 -4.636 473 1HG ARG 90 HG2 ARG 90 8.400 -2.536 -6.872 474 2HG ARG 90 HG1 ARG 90 8.261 -0.881 -7.466 475 1HD ARG 90 HD2 ARG 90 10.022 -0.179 -5.859 476 2HD ARG 90 HD1 ARG 90 10.190 -1.855 -5.338 477 HE ARG 90 HE ARG 90 10.508 -1.669 -8.192 478 1HH1 ARG 90 HH11 ARG 90 12.079 -2.417 -5.367 479 2HH1 ARG 90 HH12 ARG 90 13.661 -1.946 -5.893 480 1HH2 ARG 90 HH21 ARG 90 12.535 -0.441 -8.806 481 2HH2 ARG 90 HH22 ARG 90 13.919 -0.827 -7.839 482 H ASP 91 HN ASP 91 6.485 -1.899 -8.406 483 HA ASP 91 HA ASP 91 6.504 0.728 -9.522 484 1HB ASP 91 HB2 ASP 91 7.416 -1.276 -10.676 485 2HB ASP 91 HB1 ASP 91 5.772 -1.879 -10.889 486 H LEU 92 HN LEU 92 3.921 -1.751 -9.798 487 HA LEU 92 HA LEU 92 1.967 0.019 -10.862 488 1HB LEU 92 HB2 LEU 92 1.820 -2.505 -10.782 489 2HB LEU 92 HB1 LEU 92 1.417 -2.363 -9.070 490 HG LEU 92 HG LEU 92 -0.294 -0.542 -10.278 491 1HD1 LEU 92 HD11 LEU 92 0.604 -2.070 -12.370 492 2HD1 LEU 92 HD12 LEU 92 -0.969 -1.274 -12.324 493 3HD1 LEU 92 HD13 LEU 92 -0.826 -2.971 -11.866 494 1HD2 LEU 92 HD21 LEU 92 -2.031 -2.239 -9.751 495 2HD2 LEU 92 HD22 LEU 92 -0.852 -2.086 -8.448 496 3HD2 LEU 92 HD23 LEU 92 -0.767 -3.453 -9.559 497 H LEU 93 HN LEU 93 3.172 -0.379 -7.633 498 HA LEU 93 HA LEU 93 0.912 0.742 -6.234 499 1HB LEU 93 HB2 LEU 93 3.843 0.447 -5.555 500 2HB LEU 93 HB1 LEU 93 2.703 1.220 -4.453 501 HG LEU 93 HG LEU 93 2.137 -1.502 -5.621 502 1HD1 LEU 93 HD11 LEU 93 3.000 -1.878 -2.992 503 2HD1 LEU 93 HD12 LEU 93 4.188 -0.771 -3.681 504 3HD1 LEU 93 HD13 LEU 93 3.882 -2.328 -4.451 505 1HD2 LEU 93 HD21 LEU 93 1.058 0.270 -3.478 506 2HD2 LEU 93 HD22 LEU 93 1.042 -1.465 -3.165 507 3HD2 LEU 93 HD23 LEU 93 0.202 -0.815 -4.574 508 H LYS 94 HN LYS 94 3.960 2.156 -7.451 509 HA LYS 94 HA LYS 94 3.441 4.819 -6.565 510 1HB LYS 94 HB2 LYS 94 5.614 3.791 -7.562 511 2HB LYS 94 HB1 LYS 94 4.910 4.205 -9.125 512 1HG LYS 94 HG2 LYS 94 4.699 6.550 -8.438 513 2HG LYS 94 HG1 LYS 94 5.341 6.155 -6.843 514 1HD LYS 94 HD2 LYS 94 7.451 5.384 -7.909 515 2HD LYS 94 HD1 LYS 94 6.811 5.866 -9.480 516 1HE LYS 94 HE2 LYS 94 6.613 8.191 -8.704 517 2HE LYS 94 HE1 LYS 94 7.217 7.721 -7.115 518 1HZ LYS 94 HZ1 LYS 94 8.797 7.094 -9.514 519 2HZ LYS 94 HZ2 LYS 94 9.319 7.351 -7.918 520 3HZ LYS 94 HZ3 LYS 94 8.837 8.667 -8.879 521 H SER 95 HN SER 95 2.214 2.978 -9.262 522 HA SER 95 HA SER 95 1.257 5.283 -10.760 523 1HB SER 95 HB2 SER 95 1.732 2.956 -11.705 524 2HB SER 95 HB1 SER 95 0.225 2.445 -10.951 525 HG SER 95 HG SER 95 0.038 3.169 -13.170 526 H LEU 96 HN LEU 96 -0.517 2.699 -9.011 527 HA LEU 96 HA LEU 96 -3.040 3.938 -9.018 528 1HB LEU 96 HB2 LEU 96 -3.493 2.599 -6.949 529 2HB LEU 96 HB1 LEU 96 -2.763 1.648 -8.242 530 HG LEU 96 HG LEU 96 -0.501 2.312 -7.106 531 1HD1 LEU 96 HD11 LEU 96 -2.398 3.538 -5.366 532 2HD1 LEU 96 HD12 LEU 96 -0.645 3.475 -5.186 533 3HD1 LEU 96 HD13 LEU 96 -1.650 2.207 -4.483 534 1HD2 LEU 96 HD21 LEU 96 -0.937 0.037 -7.041 535 2HD2 LEU 96 HD22 LEU 96 -2.520 0.257 -6.295 536 3HD2 LEU 96 HD23 LEU 96 -1.057 0.410 -5.322 537 H LEU 97 HN LEU 97 -0.230 4.604 -7.019 538 HA LEU 97 HA LEU 97 -1.640 6.217 -5.068 539 1HB LEU 97 HB2 LEU 97 0.837 5.139 -5.126 540 2HB LEU 97 HB1 LEU 97 1.223 6.784 -5.633 541 HG LEU 97 HG LEU 97 1.348 6.609 -3.189 542 1HD1 LEU 97 HD11 LEU 97 0.303 8.640 -4.454 543 2HD1 LEU 97 HD12 LEU 97 0.109 8.545 -2.703 544 3HD1 LEU 97 HD13 LEU 97 -1.219 8.075 -3.764 545 1HD2 LEU 97 HD21 LEU 97 -0.819 4.869 -3.517 546 2HD2 LEU 97 HD22 LEU 97 -1.509 6.278 -2.711 547 3HD2 LEU 97 HD23 LEU 97 -0.150 5.423 -1.982 548 H GLU 98 HN GLU 98 0.351 7.015 -7.931 549 HA GLU 98 HA GLU 98 -0.104 9.855 -7.722 550 1HB GLU 98 HB2 GLU 98 1.357 8.080 -9.426 551 2HB GLU 98 HB1 GLU 98 0.360 9.122 -10.443 552 1HG GLU 98 HG2 GLU 98 1.224 11.097 -9.141 553 2HG GLU 98 HG1 GLU 98 2.341 10.001 -8.325 554 H ALA 99 HN ALA 99 -2.106 7.278 -8.684 555 HA ALA 99 HA ALA 99 -3.660 8.503 -10.741 556 1HB ALA 99 HB1 ALA 99 -3.692 6.070 -9.431 557 2HB ALA 99 HB2 ALA 99 -4.900 6.609 -10.598 558 3HB ALA 99 HB3 ALA 99 -5.184 6.826 -8.871 559 H LYS 100 HN LYS 100 -3.749 8.787 -7.226 560 HA LYS 100 HA LYS 100 -6.223 10.380 -7.300 561 1HB LYS 100 HB2 LYS 100 -4.339 9.493 -5.115 562 2HB LYS 100 HB1 LYS 100 -5.600 10.687 -4.805 563 1HG LYS 100 HG2 LYS 100 -6.582 8.586 -4.262 564 2HG LYS 100 HG1 LYS 100 -7.234 9.008 -5.846 565 1HD LYS 100 HD2 LYS 100 -6.097 7.334 -6.911 566 2HD LYS 100 HD1 LYS 100 -4.688 7.483 -5.859 567 1HE LYS 100 HE2 LYS 100 -7.014 6.578 -4.370 568 2HE LYS 100 HE1 LYS 100 -6.665 5.501 -5.722 569 1HZ LYS 100 HZ1 LYS 100 -5.396 4.769 -3.878 570 2HZ LYS 100 HZ2 LYS 100 -4.818 6.334 -3.557 571 3HZ LYS 100 HZ3 LYS 100 -4.311 5.507 -4.952 572 H GLY 101 HN GLY 101 -2.798 10.904 -7.405 573 1HA GLY 101 HA2 GLY 101 -1.659 12.925 -7.861 574 2HA GLY 101 HA1 GLY 101 -3.212 13.762 -7.828 575 H MET 102 HN MET 102 -2.327 11.713 -5.157 576 HA MET 102 HA MET 102 -2.170 14.138 -3.441 577 1HB MET 102 HB2 MET 102 -2.604 12.625 -1.577 578 2HB MET 102 HB1 MET 102 -3.793 12.330 -2.846 579 1HG MET 102 HG2 MET 102 -1.836 10.611 -3.614 580 2HG MET 102 HG1 MET 102 -1.604 10.588 -1.866 581 1HE MET 102 HE1 MET 102 -3.206 9.476 -0.161 582 2HE MET 102 HE2 MET 102 -2.175 8.471 -1.176 583 3HE MET 102 HE3 MET 102 -3.831 7.969 -0.846 584 H LYS 103 HN LYS 103 -0.747 12.876 -1.297 585 HA LYS 103 HA LYS 103 1.979 12.848 -2.505 586 1HB LYS 103 HB2 LYS 103 0.853 13.739 0.110 587 2HB LYS 103 HB1 LYS 103 2.489 13.080 0.119 588 1HG LYS 103 HG2 LYS 103 3.243 14.703 -1.484 589 2HG LYS 103 HG1 LYS 103 1.594 15.244 -1.799 590 1HD LYS 103 HD2 LYS 103 1.398 16.221 0.375 591 2HD LYS 103 HD1 LYS 103 2.873 15.432 0.936 592 1HE LYS 103 HE2 LYS 103 4.225 16.989 -0.030 593 2HE LYS 103 HE1 LYS 103 3.209 17.119 -1.466 594 1HZ LYS 103 HZ1 LYS 103 1.662 18.147 0.516 595 2HZ LYS 103 HZ2 LYS 103 2.556 19.050 -0.612 596 3HZ LYS 103 HZ3 LYS 103 3.211 18.709 0.918 597 H VAL 104 HN VAL 104 3.562 11.349 -1.395 598 HA VAL 104 HA VAL 104 2.303 8.962 -0.165 599 HB VAL 104 HB VAL 104 2.384 8.592 -2.649 600 1HG1 VAL 104 HG11 VAL 104 4.532 8.372 -3.747 601 2HG1 VAL 104 HG12 VAL 104 5.386 8.643 -2.227 602 3HG1 VAL 104 HG13 VAL 104 4.476 9.956 -2.974 603 1HG2 VAL 104 HG21 VAL 104 2.481 6.683 -1.115 604 2HG2 VAL 104 HG22 VAL 104 4.224 6.888 -0.939 605 3HG2 VAL 104 HG23 VAL 104 3.547 6.392 -2.490 606 H LYS 105 HN LYS 105 3.922 7.566 0.879 607 HA LYS 105 HA LYS 105 6.473 9.031 1.436 608 1HB LYS 105 HB2 LYS 105 4.512 8.541 3.262 609 2HB LYS 105 HB1 LYS 105 5.496 7.089 3.447 610 1HG LYS 105 HG2 LYS 105 7.498 8.459 3.800 611 2HG LYS 105 HG1 LYS 105 6.555 9.929 3.553 612 1HD LYS 105 HD2 LYS 105 5.184 9.418 5.514 613 2HD LYS 105 HD1 LYS 105 6.044 7.895 5.743 614 1HE LYS 105 HE2 LYS 105 8.127 9.076 6.169 615 2HE LYS 105 HE1 LYS 105 7.367 10.622 5.793 616 1HZ LYS 105 HZ1 LYS 105 6.564 8.816 8.010 617 2HZ LYS 105 HZ2 LYS 105 5.891 10.337 7.662 618 3HZ LYS 105 HZ3 LYS 105 7.503 10.217 8.185 619 H LEU 106 HN LEU 106 7.043 7.615 -0.562 620 HA LEU 106 HA LEU 106 7.201 4.820 -0.525 621 1HB LEU 106 HB2 LEU 106 8.297 6.901 -2.080 622 2HB LEU 106 HB1 LEU 106 9.671 5.927 -1.555 623 HG LEU 106 HG LEU 106 7.199 4.582 -2.615 624 1HD1 LEU 106 HD11 LEU 106 8.635 6.467 -4.101 625 2HD1 LEU 106 HD12 LEU 106 7.576 5.214 -4.749 626 3HD1 LEU 106 HD13 LEU 106 9.307 4.913 -4.597 627 1HD2 LEU 106 HD21 LEU 106 10.160 3.925 -2.539 628 2HD2 LEU 106 HD22 LEU 106 8.941 2.913 -3.313 629 3HD2 LEU 106 HD23 LEU 106 8.890 3.178 -1.570 630 H ALA 107 HN ALA 107 7.710 3.928 1.493 631 HA ALA 107 HA ALA 107 10.176 4.791 2.867 632 1HB ALA 107 HB1 ALA 107 9.109 2.480 4.106 633 2HB ALA 107 HB2 ALA 107 7.728 3.463 3.620 634 3HB ALA 107 HB3 ALA 107 8.976 4.149 4.661 635 H GLY 108 HN GLY 108 12.055 3.565 2.954 636 1HA GLY 108 HA2 GLY 108 13.078 1.276 2.780 637 2HA GLY 108 HA1 GLY 108 12.044 1.023 1.372 638 H GLY 109 HN GLY 109 14.637 0.613 0.874 639 1HA GLY 109 HA2 GLY 109 15.272 2.640 -1.092 640 2HA GLY 109 HA1 GLY 109 16.366 2.726 0.290 641 H LEU 110 HN LEU 110 17.763 2.137 -1.801 642 HA LEU 110 HA LEU 110 17.730 -0.686 -2.537 643 1HB LEU 110 HB2 LEU 110 18.733 1.560 -3.726 644 2HB LEU 110 HB1 LEU 110 20.197 0.868 -3.026 645 HG LEU 110 HG LEU 110 19.210 -1.378 -4.049 646 1HD1 LEU 110 HD11 LEU 110 17.172 0.080 -4.818 647 2HD1 LEU 110 HD12 LEU 110 17.836 -1.119 -5.928 648 3HD1 LEU 110 HD13 LEU 110 18.251 0.584 -6.118 649 1HD2 LEU 110 HD21 LEU 110 21.329 0.088 -4.618 650 2HD2 LEU 110 HD22 LEU 110 20.386 0.545 -6.036 651 3HD2 LEU 110 HD23 LEU 110 20.789 -1.148 -5.754 652 H GLU 111 HN GLU 111 18.446 -2.221 -1.143 653 HA GLU 111 HA GLU 111 21.064 -1.963 0.115 654 1HB GLU 111 HB2 GLU 111 19.751 -0.702 1.743 655 2HB GLU 111 HB1 GLU 111 18.566 -2.005 1.836 656 1HG GLU 111 HG2 GLU 111 20.400 -3.532 2.621 657 2HG GLU 111 HG1 GLU 111 21.473 -2.133 2.682 Start of MODEL 6 1 HA LYS 29 HA LYS 29 -13.242 15.090 7.385 2 1HB LYS 29 HB2 LYS 29 -10.587 16.539 7.602 3 2HB LYS 29 HB1 LYS 29 -11.884 16.868 6.452 4 1HG LYS 29 HG2 LYS 29 -13.389 17.425 8.363 5 2HG LYS 29 HG1 LYS 29 -12.028 17.201 9.462 6 1HD LYS 29 HD2 LYS 29 -10.778 18.970 8.258 7 2HD LYS 29 HD1 LYS 29 -12.167 19.214 7.198 8 1HE LYS 29 HE2 LYS 29 -13.552 19.725 9.227 9 2HE LYS 29 HE1 LYS 29 -12.082 19.636 10.199 10 1HZ LYS 29 HZ1 LYS 29 -12.347 21.424 7.853 11 2HZ LYS 29 HZ2 LYS 29 -11.155 21.458 9.062 12 3HZ LYS 29 HZ3 LYS 29 -12.751 21.914 9.426 13 H GLY 30 HN GLY 30 -12.690 12.669 7.147 14 1HA GLY 30 HA2 GLY 30 -10.977 12.347 4.851 15 2HA GLY 30 HA1 GLY 30 -10.206 11.685 6.294 16 H ASP 31 HN ASP 31 -11.790 10.628 3.733 17 HA ASP 31 HA ASP 31 -13.010 8.379 5.243 18 1HB ASP 31 HB2 ASP 31 -14.403 10.075 3.159 19 2HB ASP 31 HB1 ASP 31 -14.954 8.455 3.588 20 H GLY 32 HN GLY 32 -10.853 7.559 4.357 21 1HA GLY 32 HA2 GLY 32 -10.636 5.592 2.743 22 2HA GLY 32 HA1 GLY 32 -11.159 6.728 1.499 23 H VAL 33 HN VAL 33 -8.714 6.708 4.123 24 HA VAL 33 HA VAL 33 -6.817 7.952 2.177 25 HB VAL 33 HB VAL 33 -6.856 7.962 5.209 26 1HG1 VAL 33 HG11 VAL 33 -4.637 8.139 3.447 27 2HG1 VAL 33 HG12 VAL 33 -4.664 8.467 5.180 28 3HG1 VAL 33 HG13 VAL 33 -4.956 9.773 4.030 29 1HG2 VAL 33 HG21 VAL 33 -6.705 10.538 3.945 30 2HG2 VAL 33 HG22 VAL 33 -7.986 9.897 4.974 31 3HG2 VAL 33 HG23 VAL 33 -8.040 9.634 3.230 32 H VAL 34 HN VAL 34 -5.539 6.399 1.284 33 HA VAL 34 HA VAL 34 -4.898 3.955 2.804 34 HB VAL 34 HB VAL 34 -3.999 4.795 0.031 35 1HG1 VAL 34 HG11 VAL 34 -3.363 2.572 1.756 36 2HG1 VAL 34 HG12 VAL 34 -2.746 2.928 0.142 37 3HG1 VAL 34 HG13 VAL 34 -4.226 1.989 0.333 38 1HG2 VAL 34 HG21 VAL 34 -6.521 4.624 0.424 39 2HG2 VAL 34 HG22 VAL 34 -6.256 2.913 0.759 40 3HG2 VAL 34 HG23 VAL 34 -5.867 3.571 -0.830 41 H ARG 35 HN ARG 35 -2.800 3.403 3.491 42 HA ARG 35 HA ARG 35 -0.849 5.669 3.475 43 1HB ARG 35 HB2 ARG 35 -1.637 5.029 5.724 44 2HB ARG 35 HB1 ARG 35 -1.121 3.367 5.434 45 1HG ARG 35 HG2 ARG 35 1.211 4.180 5.107 46 2HG ARG 35 HG1 ARG 35 0.671 5.812 5.501 47 1HD ARG 35 HD2 ARG 35 0.092 3.552 7.396 48 2HD ARG 35 HD1 ARG 35 1.683 4.312 7.397 49 HE ARG 35 HE ARG 35 0.396 6.502 7.775 50 1HH1 ARG 35 HH11 ARG 35 0.594 5.066 10.321 51 2HH1 ARG 35 HH12 ARG 35 -1.055 4.926 10.832 52 1HH2 ARG 35 HH21 ARG 35 -2.362 5.609 7.693 53 2HH2 ARG 35 HH22 ARG 35 -2.728 5.234 9.344 54 H ILE 36 HN ILE 36 0.491 5.232 1.749 55 HA ILE 36 HA ILE 36 1.475 2.440 1.416 56 HB ILE 36 HB ILE 36 1.773 4.823 -0.437 57 1HG1 ILE 36 HG12 ILE 36 0.072 2.583 -1.272 58 2HG1 ILE 36 HG11 ILE 36 -0.547 3.422 0.151 59 1HG2 ILE 36 HG21 ILE 36 3.029 2.253 -0.345 60 2HG2 ILE 36 HG22 ILE 36 3.201 3.508 -1.572 61 3HG2 ILE 36 HG23 ILE 36 1.941 2.286 -1.733 62 1HD1 ILE 36 HD11 ILE 36 -0.509 4.303 -2.611 63 2HD1 ILE 36 HD12 ILE 36 0.332 5.457 -1.576 64 3HD1 ILE 36 HD13 ILE 36 -1.339 5.016 -1.228 65 H GLN 37 HN GLN 37 3.247 2.149 2.715 66 HA GLN 37 HA GLN 37 5.521 4.022 2.326 67 1HB GLN 37 HB2 GLN 37 5.967 4.065 4.756 68 2HB GLN 37 HB1 GLN 37 4.386 4.758 4.392 69 1HG GLN 37 HG2 GLN 37 3.531 3.301 5.889 70 2HG GLN 37 HG1 GLN 37 3.874 2.033 4.711 71 1HE2 GLN 37 HE21 GLN 37 4.044 1.851 7.699 72 2HE2 GLN 37 HE22 GLN 37 5.647 1.408 8.039 73 H ARG 38 HN ARG 38 7.464 2.937 2.208 74 HA ARG 38 HA ARG 38 7.345 -0.017 2.492 75 1HB ARG 38 HB2 ARG 38 9.607 0.116 1.339 76 2HB ARG 38 HB1 ARG 38 8.245 0.706 0.385 77 1HG ARG 38 HG2 ARG 38 8.958 2.876 0.461 78 2HG ARG 38 HG1 ARG 38 9.577 2.721 2.106 79 1HD ARG 38 HD2 ARG 38 11.264 1.052 0.737 80 2HD ARG 38 HD1 ARG 38 10.957 2.303 -0.468 81 HE ARG 38 HE ARG 38 11.562 3.493 2.087 82 1HH1 ARG 38 HH11 ARG 38 12.617 4.312 -0.649 83 2HH1 ARG 38 HH12 ARG 38 14.305 3.964 -0.477 84 1HH2 ARG 38 HH21 ARG 38 13.881 1.979 2.335 85 2HH2 ARG 38 HH22 ARG 38 15.021 2.643 1.212 86 H GLN 39 HN GLN 39 9.371 -1.051 3.449 87 HA GLN 39 HA GLN 39 10.776 0.616 5.442 88 1HB GLN 39 HB2 GLN 39 8.473 -0.723 6.207 89 2HB GLN 39 HB1 GLN 39 9.754 -1.850 6.657 90 1HG GLN 39 HG2 GLN 39 10.899 -0.099 7.922 91 2HG GLN 39 HG1 GLN 39 9.696 1.086 7.414 92 1HE2 GLN 39 HE21 GLN 39 10.038 0.649 10.167 93 2HE2 GLN 39 HE22 GLN 39 8.689 -0.174 10.786 94 H THR 40 HN THR 40 12.676 -0.469 6.288 95 HA THR 40 HA THR 40 13.474 -2.840 4.646 96 HB THR 40 HB THR 40 15.665 -1.355 5.889 97 HG1 THR 40 HG1 THR 40 15.424 0.479 4.623 98 1HG2 THR 40 HG21 THR 40 15.127 -2.937 3.605 99 2HG2 THR 40 HG22 THR 40 16.678 -2.256 4.098 100 3HG2 THR 40 HG23 THR 40 15.623 -1.352 3.011 101 H SER 41 HN SER 41 12.411 -4.107 6.423 102 HA SER 41 HA SER 41 14.404 -4.686 8.536 103 1HB SER 41 HB2 SER 41 12.317 -3.055 9.175 104 2HB SER 41 HB1 SER 41 11.606 -4.632 9.503 105 HG SER 41 HG SER 41 12.694 -3.901 11.330 106 H GLY 42 HN GLY 42 14.780 -6.783 7.889 107 1HA GLY 42 HA2 GLY 42 13.319 -8.961 8.572 108 2HA GLY 42 HA1 GLY 42 12.540 -8.503 7.056 109 H ARG 43 HN ARG 43 14.431 -10.800 7.950 110 HA ARG 43 HA ARG 43 16.624 -10.395 5.990 111 1HB ARG 43 HB2 ARG 43 16.105 -12.345 8.218 112 2HB ARG 43 HB1 ARG 43 17.243 -12.768 6.937 113 1HG ARG 43 HG2 ARG 43 18.495 -10.678 7.364 114 2HG ARG 43 HG1 ARG 43 17.369 -10.276 8.662 115 1HD ARG 43 HD2 ARG 43 17.994 -12.400 9.812 116 2HD ARG 43 HD1 ARG 43 19.191 -12.698 8.552 117 HE ARG 43 HE ARG 43 19.799 -10.153 9.506 118 1HH1 ARG 43 HH21 ARG 43 19.833 -13.440 10.479 119 2HH1 ARG 43 HH22 ARG 43 20.776 -13.157 11.904 120 1HH2 ARG 43 HH11 ARG 43 20.838 -9.714 11.499 121 2HH2 ARG 43 HH12 ARG 43 21.345 -11.047 12.481 122 H LYS 44 HN LYS 44 13.690 -10.910 5.335 123 HA LYS 44 HA LYS 44 14.187 -13.273 3.571 124 1HB LYS 44 HB2 LYS 44 12.062 -12.831 5.538 125 2HB LYS 44 HB1 LYS 44 11.435 -13.197 3.931 126 1HG LYS 44 HG2 LYS 44 12.878 -15.198 3.821 127 2HG LYS 44 HG1 LYS 44 13.498 -14.837 5.433 128 1HD LYS 44 HD2 LYS 44 11.247 -15.068 6.378 129 2HD LYS 44 HD1 LYS 44 10.586 -15.366 4.770 130 1HE LYS 44 HE2 LYS 44 12.266 -17.318 4.639 131 2HE LYS 44 HE1 LYS 44 12.440 -17.119 6.383 132 1HZ LYS 44 HZ1 LYS 44 10.683 -18.741 5.524 133 2HZ LYS 44 HZ2 LYS 44 9.775 -17.358 5.138 134 3HZ LYS 44 HZ3 LYS 44 10.229 -17.658 6.747 135 H GLY 45 HN GLY 45 14.438 -10.340 3.106 136 1HA GLY 45 HA2 GLY 45 13.579 -10.054 0.515 137 2HA GLY 45 HA1 GLY 45 12.147 -9.602 1.443 138 H LYS 46 HN LYS 46 14.281 -8.069 -0.231 139 HA LYS 46 HA LYS 46 14.919 -6.027 1.859 140 1HB LYS 46 HB2 LYS 46 16.279 -6.704 -0.760 141 2HB LYS 46 HB1 LYS 46 16.634 -5.236 0.150 142 1HG LYS 46 HG2 LYS 46 17.317 -6.544 2.086 143 2HG LYS 46 HG1 LYS 46 16.843 -8.041 1.281 144 1HD LYS 46 HD2 LYS 46 18.577 -7.826 -0.350 145 2HD LYS 46 HD1 LYS 46 18.911 -6.160 0.125 146 1HE LYS 46 HE2 LYS 46 19.754 -6.887 2.283 147 2HE LYS 46 HE1 LYS 46 19.285 -8.553 1.947 148 1HZ LYS 46 HZ1 LYS 46 20.944 -8.804 0.395 149 2HZ LYS 46 HZ2 LYS 46 21.709 -7.812 1.543 150 3HZ LYS 46 HZ3 LYS 46 21.095 -7.139 0.109 151 H GLY 47 HN GLY 47 13.639 -4.253 1.745 152 1HA GLY 47 HA2 GLY 47 12.563 -2.396 0.741 153 2HA GLY 47 HA1 GLY 47 13.025 -3.026 -0.841 154 H VAL 48 HN VAL 48 10.647 -3.293 1.754 155 HA VAL 48 HA VAL 48 8.829 -4.644 -0.202 156 HB VAL 48 HB VAL 48 7.741 -5.720 1.772 157 1HG1 VAL 48 HG11 VAL 48 10.720 -6.211 1.470 158 2HG1 VAL 48 HG12 VAL 48 9.443 -6.949 0.504 159 3HG1 VAL 48 HG13 VAL 48 9.582 -7.330 2.221 160 1HG2 VAL 48 HG21 VAL 48 9.890 -5.453 3.641 161 2HG2 VAL 48 HG22 VAL 48 8.209 -4.960 3.840 162 3HG2 VAL 48 HG23 VAL 48 9.384 -3.833 3.161 163 H CYS 49 HN CYS 49 6.457 -4.227 0.392 164 HA CYS 49 HA CYS 49 6.074 -1.601 1.737 165 1HB CYS 49 HB2 CYS 49 6.289 -1.562 -0.914 166 2HB CYS 49 HB1 CYS 49 4.611 -2.096 -0.827 167 HG CYS 49 HG CYS 49 4.642 0.165 0.983 168 H LEU 50 HN LEU 50 4.259 -1.617 3.002 169 HA LEU 50 HA LEU 50 2.275 -3.806 2.522 170 1HB LEU 50 HB2 LEU 50 1.936 -3.660 5.076 171 2HB LEU 50 HB1 LEU 50 3.409 -4.447 4.506 172 HG LEU 50 HG LEU 50 3.694 -1.542 4.813 173 1HD1 LEU 50 HD11 LEU 50 2.700 -3.244 7.061 174 2HD1 LEU 50 HD12 LEU 50 2.415 -1.534 6.739 175 3HD1 LEU 50 HD13 LEU 50 3.956 -2.059 7.418 176 1HD2 LEU 50 HD21 LEU 50 5.839 -2.149 5.360 177 2HD2 LEU 50 HD22 LEU 50 5.362 -3.664 4.595 178 3HD2 LEU 50 HD23 LEU 50 5.311 -3.509 6.351 179 H ILE 51 HN ILE 51 0.068 -3.265 3.114 180 HA ILE 51 HA ILE 51 -0.406 -0.316 3.311 181 HB ILE 51 HB ILE 51 -2.393 -2.163 2.025 182 1HG1 ILE 51 HG12 ILE 51 -0.262 -2.687 0.917 183 2HG1 ILE 51 HG11 ILE 51 -1.288 -1.742 -0.162 184 1HG2 ILE 51 HG21 ILE 51 -1.892 0.420 0.798 185 2HG2 ILE 51 HG22 ILE 51 -2.197 0.595 2.527 186 3HG2 ILE 51 HG23 ILE 51 -3.384 -0.208 1.498 187 1HD1 ILE 51 HD11 ILE 51 1.312 -1.122 0.390 188 2HD1 ILE 51 HD12 ILE 51 0.472 -0.145 1.595 189 3HD1 ILE 51 HD13 ILE 51 0.105 0.060 -0.118 190 H THR 52 HN THR 52 -1.315 0.156 5.247 191 HA THR 52 HA THR 52 -3.427 -1.653 6.299 192 HB THR 52 HB THR 52 -1.363 -0.538 8.184 193 HG1 THR 52 HG1 THR 52 -0.489 -2.781 7.955 194 1HG2 THR 52 HG21 THR 52 -2.894 -3.128 8.352 195 2HG2 THR 52 HG22 THR 52 -3.634 -1.601 8.831 196 3HG2 THR 52 HG23 THR 52 -2.190 -2.179 9.661 197 H GLY 53 HN GLY 53 -2.901 1.249 5.179 198 1HA GLY 53 HA2 GLY 53 -4.220 2.724 7.414 199 2HA GLY 53 HA1 GLY 53 -3.354 3.486 6.079 200 H VAL 54 HN VAL 54 -4.784 1.336 4.324 201 HA VAL 54 HA VAL 54 -6.706 2.922 3.111 202 HB VAL 54 HB VAL 54 -7.042 -0.061 3.519 203 1HG1 VAL 54 HG11 VAL 54 -8.941 0.981 2.433 204 2HG1 VAL 54 HG12 VAL 54 -8.006 0.132 1.201 205 3HG1 VAL 54 HG13 VAL 54 -7.881 1.885 1.351 206 1HG2 VAL 54 HG21 VAL 54 -5.133 -0.386 2.367 207 2HG2 VAL 54 HG22 VAL 54 -4.841 1.354 2.380 208 3HG2 VAL 54 HG23 VAL 54 -5.743 0.621 1.054 209 H ASP 55 HN ASP 55 -8.066 4.109 4.456 210 HA ASP 55 HA ASP 55 -9.576 2.737 6.583 211 1HB ASP 55 HB2 ASP 55 -8.657 5.071 6.852 212 2HB ASP 55 HB1 ASP 55 -9.820 5.607 5.639 213 H LEU 56 HN LEU 56 -10.894 1.312 5.304 214 HA LEU 56 HA LEU 56 -13.282 2.648 4.201 215 1HB LEU 56 HB2 LEU 56 -11.316 1.081 2.570 216 2HB LEU 56 HB1 LEU 56 -13.033 0.932 2.193 217 HG LEU 56 HG LEU 56 -11.471 3.528 2.343 218 1HD1 LEU 56 HD11 LEU 56 -10.901 2.343 0.326 219 2HD1 LEU 56 HD12 LEU 56 -12.069 3.587 -0.119 220 3HD1 LEU 56 HD13 LEU 56 -12.586 1.908 0.039 221 1HD2 LEU 56 HD21 LEU 56 -13.957 3.868 1.055 222 2HD2 LEU 56 HD22 LEU 56 -13.492 4.487 2.639 223 3HD2 LEU 56 HD23 LEU 56 -14.301 2.925 2.505 224 H ASP 57 HN ASP 57 -14.604 0.493 3.166 225 HA ASP 57 HA ASP 57 -15.232 -1.033 5.559 226 1HB ASP 57 HB2 ASP 57 -16.598 -0.367 3.243 227 2HB ASP 57 HB1 ASP 57 -16.285 -2.090 3.034 228 H ASP 58 HN ASP 58 -15.519 -3.570 5.115 229 HA ASP 58 HA ASP 58 -12.812 -4.574 4.684 230 1HB ASP 58 HB2 ASP 58 -15.290 -5.539 5.867 231 2HB ASP 58 HB1 ASP 58 -14.541 -6.770 4.849 232 H ALA 59 HN ALA 59 -15.825 -4.478 2.877 233 HA ALA 59 HA ALA 59 -14.969 -6.406 0.872 234 1HB ALA 59 HB1 ALA 59 -16.973 -5.796 -0.308 235 2HB ALA 59 HB2 ALA 59 -17.103 -4.277 0.579 236 3HB ALA 59 HB3 ALA 59 -17.380 -5.809 1.408 237 H GLU 60 HN GLU 60 -15.234 -2.839 0.952 238 HA GLU 60 HA GLU 60 -14.167 -2.406 -1.661 239 1HB GLU 60 HB2 GLU 60 -15.246 -0.779 0.204 240 2HB GLU 60 HB1 GLU 60 -13.539 -0.417 0.461 241 1HG GLU 60 HG2 GLU 60 -13.254 0.434 -1.687 242 2HG GLU 60 HG1 GLU 60 -14.607 -0.489 -2.342 243 H LEU 61 HN LEU 61 -12.625 -2.961 1.458 244 HA LEU 61 HA LEU 61 -9.977 -2.160 0.696 245 1HB LEU 61 HB2 LEU 61 -11.233 -3.270 2.987 246 2HB LEU 61 HB1 LEU 61 -9.910 -4.354 2.559 247 HG LEU 61 HG LEU 61 -8.583 -2.075 2.262 248 1HD1 LEU 61 HD11 LEU 61 -10.926 -1.405 4.044 249 2HD1 LEU 61 HD12 LEU 61 -10.294 -0.491 2.675 250 3HD1 LEU 61 HD13 LEU 61 -9.390 -0.551 4.188 251 1HD2 LEU 61 HD21 LEU 61 -7.556 -3.286 3.886 252 2HD2 LEU 61 HD22 LEU 61 -9.088 -3.878 4.529 253 3HD2 LEU 61 HD23 LEU 61 -8.480 -2.296 5.016 254 H THR 62 HN THR 62 -11.614 -5.334 0.644 255 HA THR 62 HA THR 62 -9.379 -6.795 -0.386 256 HB THR 62 HB THR 62 -11.095 -8.472 -1.078 257 HG1 THR 62 HG1 THR 62 -12.775 -7.206 -1.699 258 1HG2 THR 62 HG21 THR 62 -12.078 -8.776 1.226 259 2HG2 THR 62 HG22 THR 62 -11.383 -7.214 1.660 260 3HG2 THR 62 HG23 THR 62 -10.328 -8.553 1.205 261 H LYS 63 HN LYS 63 -11.911 -4.892 -1.946 262 HA LYS 63 HA LYS 63 -11.384 -5.758 -4.632 263 1HB LYS 63 HB2 LYS 63 -12.745 -3.410 -3.369 264 2HB LYS 63 HB1 LYS 63 -12.332 -3.312 -5.081 265 1HG LYS 63 HG2 LYS 63 -13.474 -5.551 -5.386 266 2HG LYS 63 HG1 LYS 63 -14.055 -5.402 -3.727 267 1HD LYS 63 HD2 LYS 63 -15.448 -3.605 -4.231 268 2HD LYS 63 HD1 LYS 63 -14.495 -3.130 -5.637 269 1HE LYS 63 HE2 LYS 63 -16.474 -4.107 -6.530 270 2HE LYS 63 HE1 LYS 63 -15.230 -5.347 -6.693 271 1HZ LYS 63 HZ1 LYS 63 -16.850 -5.260 -4.246 272 2HZ LYS 63 HZ2 LYS 63 -16.108 -6.588 -5.003 273 3HZ LYS 63 HZ3 LYS 63 -17.529 -5.920 -5.654 274 H LEU 64 HN LEU 64 -10.183 -2.968 -2.750 275 HA LEU 64 HA LEU 64 -8.548 -1.855 -4.790 276 1HB LEU 64 HB2 LEU 64 -9.123 -1.187 -2.199 277 2HB LEU 64 HB1 LEU 64 -7.450 -1.726 -2.051 278 HG LEU 64 HG LEU 64 -7.244 -0.224 -4.290 279 1HD1 LEU 64 HD11 LEU 64 -9.086 1.037 -4.600 280 2HD1 LEU 64 HD12 LEU 64 -8.701 1.860 -3.088 281 3HD1 LEU 64 HD13 LEU 64 -9.788 0.472 -3.084 282 1HD2 LEU 64 HD21 LEU 64 -7.132 1.542 -1.999 283 2HD2 LEU 64 HD22 LEU 64 -5.802 0.848 -2.927 284 3HD2 LEU 64 HD23 LEU 64 -6.494 -0.046 -1.573 285 H ALA 65 HN ALA 65 -7.533 -3.994 -2.094 286 HA ALA 65 HA ALA 65 -4.895 -4.433 -3.047 287 1HB ALA 65 HB1 ALA 65 -6.394 -6.626 -1.650 288 2HB ALA 65 HB2 ALA 65 -6.076 -5.120 -0.788 289 3HB ALA 65 HB3 ALA 65 -4.734 -6.082 -1.409 290 H ALA 66 HN ALA 66 -7.944 -5.729 -4.104 291 HA ALA 66 HA ALA 66 -6.908 -8.080 -5.423 292 1HB ALA 66 HB1 ALA 66 -9.452 -6.487 -5.599 293 2HB ALA 66 HB2 ALA 66 -9.223 -8.162 -5.096 294 3HB ALA 66 HB3 ALA 66 -9.114 -7.731 -6.803 295 H GLU 67 HN GLU 67 -7.555 -4.748 -6.497 296 HA GLU 67 HA GLU 67 -6.725 -5.304 -9.236 297 1HB GLU 67 HB2 GLU 67 -8.171 -3.296 -8.053 298 2HB GLU 67 HB1 GLU 67 -6.613 -2.507 -8.304 299 1HG GLU 67 HG2 GLU 67 -7.666 -2.102 -10.345 300 2HG GLU 67 HG1 GLU 67 -6.776 -3.583 -10.699 301 H LEU 68 HN LEU 68 -5.166 -4.205 -6.289 302 HA LEU 68 HA LEU 68 -2.781 -3.165 -7.522 303 1HB LEU 68 HB2 LEU 68 -3.248 -4.313 -4.753 304 2HB LEU 68 HB1 LEU 68 -1.780 -3.471 -5.249 305 HG LEU 68 HG LEU 68 -4.394 -2.111 -5.741 306 1HD1 LEU 68 HD11 LEU 68 -3.708 -1.166 -3.260 307 2HD1 LEU 68 HD12 LEU 68 -3.354 -2.885 -3.090 308 3HD1 LEU 68 HD13 LEU 68 -4.972 -2.359 -3.554 309 1HD2 LEU 68 HD21 LEU 68 -1.525 -1.414 -5.234 310 2HD2 LEU 68 HD22 LEU 68 -2.759 -0.230 -4.804 311 3HD2 LEU 68 HD23 LEU 68 -2.624 -0.798 -6.468 312 H LYS 69 HN LYS 69 -3.458 -6.321 -5.970 313 HA LYS 69 HA LYS 69 -0.930 -7.476 -6.697 314 1HB LYS 69 HB2 LYS 69 -2.128 -9.662 -6.242 315 2HB LYS 69 HB1 LYS 69 -2.204 -8.494 -4.922 316 1HG LYS 69 HG2 LYS 69 -4.448 -8.644 -4.996 317 2HG LYS 69 HG1 LYS 69 -4.396 -7.899 -6.595 318 1HD LYS 69 HD2 LYS 69 -5.584 -10.015 -6.760 319 2HD LYS 69 HD1 LYS 69 -4.033 -10.169 -7.586 320 1HE LYS 69 HE2 LYS 69 -3.452 -11.864 -6.228 321 2HE LYS 69 HE1 LYS 69 -3.666 -10.827 -4.818 322 1HZ LYS 69 HZ1 LYS 69 -6.154 -11.300 -5.203 323 2HZ LYS 69 HZ2 LYS 69 -5.197 -12.493 -4.463 324 3HZ LYS 69 HZ3 LYS 69 -5.609 -12.628 -6.106 325 H LYS 70 HN LYS 70 -3.674 -6.699 -8.550 326 HA LYS 70 HA LYS 70 -3.459 -8.843 -10.502 327 1HB LYS 70 HB2 LYS 70 -5.522 -7.420 -10.088 328 2HB LYS 70 HB1 LYS 70 -4.685 -6.104 -10.914 329 1HG LYS 70 HG2 LYS 70 -4.894 -7.080 -12.970 330 2HG LYS 70 HG1 LYS 70 -4.691 -8.710 -12.328 331 1HD LYS 70 HD2 LYS 70 -7.123 -7.650 -11.270 332 2HD LYS 70 HD1 LYS 70 -7.125 -7.379 -13.013 333 1HE LYS 70 HE2 LYS 70 -6.737 -9.715 -13.455 334 2HE LYS 70 HE1 LYS 70 -6.448 -10.045 -11.747 335 1HZ LYS 70 HZ1 LYS 70 -8.988 -9.391 -13.097 336 2HZ LYS 70 HZ2 LYS 70 -8.800 -9.128 -11.429 337 3HZ LYS 70 HZ3 LYS 70 -8.634 -10.693 -12.070 338 H LYS 71 HN LYS 71 -2.294 -5.483 -10.314 339 HA LYS 71 HA LYS 71 -1.101 -5.460 -12.930 340 1HB LYS 71 HB2 LYS 71 -1.582 -3.397 -11.645 341 2HB LYS 71 HB1 LYS 71 -0.350 -3.854 -10.468 342 1HG LYS 71 HG2 LYS 71 1.321 -3.903 -12.359 343 2HG LYS 71 HG1 LYS 71 0.072 -3.216 -13.399 344 1HD LYS 71 HD2 LYS 71 0.075 -1.632 -11.068 345 2HD LYS 71 HD1 LYS 71 1.772 -1.877 -11.480 346 1HE LYS 71 HE2 LYS 71 0.985 0.088 -12.662 347 2HE LYS 71 HE1 LYS 71 1.231 -1.203 -13.839 348 1HZ LYS 71 HZ1 LYS 71 -0.960 -1.377 -14.241 349 2HZ LYS 71 HZ2 LYS 71 -1.009 0.218 -13.657 350 3HZ LYS 71 HZ3 LYS 71 -1.405 -1.078 -12.632 351 H CYS 72 HN CYS 72 -0.145 -6.886 -9.929 352 HA CYS 72 HA CYS 72 2.695 -7.058 -10.705 353 1HB CYS 72 HB2 CYS 72 2.129 -6.753 -8.332 354 2HB CYS 72 HB1 CYS 72 1.192 -8.247 -8.352 355 HG CYS 72 HG CYS 72 4.106 -8.154 -7.859 356 H GLY 73 HN GLY 73 -0.092 -9.249 -10.304 357 1HA GLY 73 HA2 GLY 73 -0.460 -11.106 -11.833 358 2HA GLY 73 HA1 GLY 73 1.275 -11.141 -12.153 359 H CYS 74 HN CYS 74 1.639 -10.794 -9.104 360 HA CYS 74 HA CYS 74 0.569 -12.967 -7.684 361 1HB CYS 74 HB2 CYS 74 2.195 -13.903 -9.770 362 2HB CYS 74 HB1 CYS 74 3.194 -14.040 -8.322 363 HG CYS 74 HG CYS 74 1.754 -15.890 -7.517 364 H GLY 75 HN GLY 75 1.253 -12.764 -5.581 365 1HA GLY 75 HA2 GLY 75 3.347 -12.511 -4.130 366 2HA GLY 75 HA1 GLY 75 3.693 -11.094 -5.123 367 H GLY 76 HN GLY 76 0.916 -10.229 -5.301 368 1HA GLY 76 HA2 GLY 76 0.792 -8.660 -2.884 369 2HA GLY 76 HA1 GLY 76 -0.452 -8.716 -4.133 370 H ALA 77 HN ALA 77 0.523 -9.928 -1.044 371 HA ALA 77 HA ALA 77 -1.857 -11.735 -0.987 372 1HB ALA 77 HB1 ALA 77 0.440 -11.661 0.988 373 2HB ALA 77 HB2 ALA 77 0.430 -12.697 -0.440 374 3HB ALA 77 HB3 ALA 77 -0.788 -12.916 0.817 375 H VAL 78 HN VAL 78 -3.522 -11.230 0.396 376 HA VAL 78 HA VAL 78 -3.209 -8.736 1.991 377 HB VAL 78 HB VAL 78 -5.665 -8.685 2.026 378 1HG1 VAL 78 HG11 VAL 78 -5.852 -7.908 -0.127 379 2HG1 VAL 78 HG12 VAL 78 -5.117 -9.353 -0.823 380 3HG1 VAL 78 HG13 VAL 78 -4.100 -8.112 -0.092 381 1HG2 VAL 78 HG21 VAL 78 -5.660 -11.332 1.921 382 2HG2 VAL 78 HG22 VAL 78 -5.752 -11.051 0.182 383 3HG2 VAL 78 HG23 VAL 78 -7.009 -10.418 1.245 384 H LYS 79 HN LYS 79 -4.205 -8.700 4.165 385 HA LYS 79 HA LYS 79 -4.504 -11.362 5.448 386 1HB LYS 79 HB2 LYS 79 -2.330 -9.408 5.925 387 2HB LYS 79 HB1 LYS 79 -3.108 -10.034 7.379 388 1HG LYS 79 HG2 LYS 79 -2.807 -12.365 6.349 389 2HG LYS 79 HG1 LYS 79 -1.717 -11.593 5.196 390 1HD LYS 79 HD2 LYS 79 -0.152 -12.072 6.797 391 2HD LYS 79 HD1 LYS 79 -0.741 -10.566 7.501 392 1HE LYS 79 HE2 LYS 79 -1.288 -11.743 9.343 393 2HE LYS 79 HE1 LYS 79 -2.544 -12.526 8.384 394 1HZ LYS 79 HZ1 LYS 79 0.164 -13.475 9.027 395 2HZ LYS 79 HZ2 LYS 79 -0.593 -14.009 7.602 396 3HZ LYS 79 HZ3 LYS 79 -1.313 -14.305 9.113 397 H ASP 80 HN ASP 80 -6.739 -10.224 5.112 398 HA ASP 80 HA ASP 80 -8.573 -9.098 6.056 399 1HB ASP 80 HB2 ASP 80 -7.948 -10.826 7.827 400 2HB ASP 80 HB1 ASP 80 -7.110 -9.523 8.671 401 H GLY 81 HN GLY 81 -7.434 -7.137 4.982 402 1HA GLY 81 HA2 GLY 81 -7.402 -4.762 5.300 403 2HA GLY 81 HA1 GLY 81 -7.252 -5.021 7.038 404 H VAL 82 HN VAL 82 -5.048 -7.000 6.628 405 HA VAL 82 HA VAL 82 -2.880 -5.002 6.381 406 HB VAL 82 HB VAL 82 -2.729 -7.929 7.163 407 1HG1 VAL 82 HG11 VAL 82 -0.786 -5.684 6.946 408 2HG1 VAL 82 HG12 VAL 82 -0.529 -7.418 6.747 409 3HG1 VAL 82 HG13 VAL 82 -0.637 -6.722 8.364 410 1HG2 VAL 82 HG21 VAL 82 -3.206 -7.351 9.327 411 2HG2 VAL 82 HG22 VAL 82 -4.065 -6.016 8.558 412 3HG2 VAL 82 HG23 VAL 82 -2.433 -5.772 9.181 413 H ILE 83 HN ILE 83 -2.815 -4.700 4.098 414 HA ILE 83 HA ILE 83 -2.501 -7.018 2.330 415 HB ILE 83 HB ILE 83 -2.074 -4.087 1.686 416 1HG1 ILE 83 HG12 ILE 83 -4.622 -5.541 1.082 417 2HG1 ILE 83 HG11 ILE 83 -4.373 -4.944 2.723 418 1HG2 ILE 83 HG21 ILE 83 -2.732 -4.889 -0.603 419 2HG2 ILE 83 HG22 ILE 83 -2.698 -6.540 0.016 420 3HG2 ILE 83 HG23 ILE 83 -1.218 -5.582 -0.023 421 1HD1 ILE 83 HD11 ILE 83 -4.787 -2.825 2.085 422 2HD1 ILE 83 HD12 ILE 83 -5.262 -3.456 0.508 423 3HD1 ILE 83 HD13 ILE 83 -3.600 -2.934 0.785 424 H GLU 84 HN GLU 84 -0.556 -7.382 1.046 425 HA GLU 84 HA GLU 84 1.914 -6.030 1.947 426 1HB GLU 84 HB2 GLU 84 1.139 -8.428 3.141 427 2HB GLU 84 HB1 GLU 84 2.295 -8.925 1.905 428 1HG GLU 84 HG2 GLU 84 3.851 -7.126 2.774 429 2HG GLU 84 HG1 GLU 84 2.734 -6.908 4.121 430 H ILE 85 HN ILE 85 2.790 -5.460 0.012 431 HA ILE 85 HA ILE 85 2.887 -7.548 -2.124 432 HB ILE 85 HB ILE 85 2.438 -4.585 -2.584 433 1HG1 ILE 85 HG12 ILE 85 0.415 -6.743 -3.133 434 2HG1 ILE 85 HG11 ILE 85 0.544 -6.060 -1.511 435 1HG2 ILE 85 HG21 ILE 85 3.605 -5.697 -4.421 436 2HG2 ILE 85 HG22 ILE 85 1.942 -5.362 -4.901 437 3HG2 ILE 85 HG23 ILE 85 2.411 -6.995 -4.427 438 1HD1 ILE 85 HD11 ILE 85 0.590 -3.830 -3.184 439 2HD1 ILE 85 HD12 ILE 85 -0.789 -4.390 -2.237 440 3HD1 ILE 85 HD13 ILE 85 -0.612 -4.889 -3.919 441 H GLN 86 HN GLN 86 5.038 -8.065 -2.149 442 HA GLN 86 HA GLN 86 7.187 -6.444 -1.322 443 1HB GLN 86 HB2 GLN 86 7.069 -8.666 -3.376 444 2HB GLN 86 HB1 GLN 86 8.580 -7.922 -2.854 445 1HG GLN 86 HG2 GLN 86 8.280 -8.652 -0.603 446 2HG GLN 86 HG1 GLN 86 6.594 -9.084 -0.893 447 1HE2 GLN 86 HE21 GLN 86 8.682 -10.924 0.085 448 2HE2 GLN 86 HE22 GLN 86 8.830 -12.151 -1.078 449 H GLY 87 HN GLY 87 8.627 -5.069 -2.474 450 1HA GLY 87 HA2 GLY 87 9.071 -4.414 -5.007 451 2HA GLY 87 HA1 GLY 87 7.410 -3.833 -4.884 452 H ASP 88 HN ASP 88 9.829 -2.234 -5.342 453 HA ASP 88 HA ASP 88 9.556 -0.429 -2.980 454 1HB ASP 88 HB2 ASP 88 11.700 -1.509 -2.700 455 2HB ASP 88 HB1 ASP 88 12.115 -1.231 -4.392 456 H LYS 89 HN LYS 89 8.052 0.756 -4.359 457 HA LYS 89 HA LYS 89 9.476 2.610 -6.173 458 1HB LYS 89 HB2 LYS 89 7.230 0.772 -6.998 459 2HB LYS 89 HB1 LYS 89 7.503 2.305 -7.827 460 1HG LYS 89 HG2 LYS 89 9.877 1.610 -8.220 461 2HG LYS 89 HG1 LYS 89 9.492 0.037 -7.521 462 1HD LYS 89 HD2 LYS 89 7.796 -0.346 -9.248 463 2HD LYS 89 HD1 LYS 89 8.104 1.252 -9.929 464 1HE LYS 89 HE2 LYS 89 10.526 0.517 -10.231 465 2HE LYS 89 HE1 LYS 89 9.983 -1.117 -9.849 466 1HZ LYS 89 HZ1 LYS 89 9.825 0.226 -12.293 467 2HZ LYS 89 HZ2 LYS 89 8.236 -0.016 -11.740 468 3HZ LYS 89 HZ3 LYS 89 9.287 -1.339 -11.922 469 H ARG 90 HN ARG 90 8.616 3.336 -3.715 470 HA ARG 90 HA ARG 90 5.986 4.109 -3.254 471 1HB ARG 90 HB2 ARG 90 6.858 5.900 -1.864 472 2HB ARG 90 HB1 ARG 90 7.926 4.504 -1.706 473 1HG ARG 90 HG2 ARG 90 9.348 5.534 -3.549 474 2HG ARG 90 HG1 ARG 90 8.379 6.996 -3.362 475 1HD ARG 90 HD2 ARG 90 8.981 6.592 -0.782 476 2HD ARG 90 HD1 ARG 90 10.380 5.798 -1.504 477 HE ARG 90 HE ARG 90 9.945 8.641 -1.407 478 1HH1 ARG 90 HH11 ARG 90 12.362 6.635 -2.054 479 2HH1 ARG 90 HH12 ARG 90 12.911 7.369 -3.523 480 1HH2 ARG 90 HH21 ARG 90 10.097 9.362 -3.890 481 2HH2 ARG 90 HH22 ARG 90 11.629 8.913 -4.563 482 H ASP 91 HN ASP 91 8.300 5.538 -5.492 483 HA ASP 91 HA ASP 91 6.998 7.982 -6.051 484 1HB ASP 91 HB2 ASP 91 9.195 6.683 -7.054 485 2HB ASP 91 HB1 ASP 91 8.075 6.579 -8.413 486 H LEU 92 HN LEU 92 6.609 4.868 -7.787 487 HA LEU 92 HA LEU 92 4.424 5.758 -9.403 488 1HB LEU 92 HB2 LEU 92 5.689 3.736 -9.958 489 2HB LEU 92 HB1 LEU 92 5.143 2.962 -8.470 490 HG LEU 92 HG LEU 92 3.055 4.045 -10.309 491 1HD1 LEU 92 HD11 LEU 92 3.285 2.451 -11.944 492 2HD1 LEU 92 HD12 LEU 92 3.982 1.268 -10.837 493 3HD1 LEU 92 HD13 LEU 92 4.984 2.567 -11.485 494 1HD2 LEU 92 HD21 LEU 92 2.406 1.484 -9.458 495 2HD2 LEU 92 HD22 LEU 92 1.905 2.980 -8.670 496 3HD2 LEU 92 HD23 LEU 92 3.343 2.127 -8.109 497 H LEU 93 HN LEU 93 4.452 3.889 -6.351 498 HA LEU 93 HA LEU 93 1.715 3.520 -5.987 499 1HB LEU 93 HB2 LEU 93 4.018 3.929 -4.139 500 2HB LEU 93 HB1 LEU 93 2.401 4.079 -3.449 501 HG LEU 93 HG LEU 93 3.164 1.758 -3.273 502 1HD1 LEU 93 HD11 LEU 93 0.741 2.557 -4.161 503 2HD1 LEU 93 HD12 LEU 93 1.148 0.861 -3.898 504 3HD1 LEU 93 HD13 LEU 93 1.229 1.547 -5.521 505 1HD2 LEU 93 HD21 LEU 93 3.168 1.526 -6.268 506 2HD2 LEU 93 HD22 LEU 93 3.979 0.515 -5.072 507 3HD2 LEU 93 HD23 LEU 93 4.614 2.117 -5.449 508 H LYS 94 HN LYS 94 3.570 6.492 -5.670 509 HA LYS 94 HA LYS 94 1.639 8.058 -4.280 510 1HB LYS 94 HB2 LYS 94 4.142 8.536 -5.218 511 2HB LYS 94 HB1 LYS 94 3.189 9.407 -6.420 512 1HG LYS 94 HG2 LYS 94 2.078 10.695 -4.685 513 2HG LYS 94 HG1 LYS 94 2.869 9.747 -3.425 514 1HD LYS 94 HD2 LYS 94 5.079 10.542 -4.257 515 2HD LYS 94 HD1 LYS 94 4.244 11.556 -5.434 516 1HE LYS 94 HE2 LYS 94 3.006 12.603 -3.469 517 2HE LYS 94 HE1 LYS 94 4.145 11.763 -2.417 518 1HZ LYS 94 HZ1 LYS 94 5.359 13.212 -4.601 519 2HZ LYS 94 HZ2 LYS 94 5.797 13.147 -2.961 520 3HZ LYS 94 HZ3 LYS 94 4.560 14.194 -3.471 521 H SER 95 HN SER 95 2.285 8.096 -7.810 522 HA SER 95 HA SER 95 -0.127 9.482 -8.460 523 1HB SER 95 HB2 SER 95 0.401 8.065 -10.731 524 2HB SER 95 HB1 SER 95 1.222 9.562 -10.296 525 HG SER 95 HG SER 95 2.534 7.593 -10.800 526 H LEU 96 HN LEU 96 0.432 6.224 -7.533 527 HA LEU 96 HA LEU 96 -1.824 5.034 -8.909 528 1HB LEU 96 HB2 LEU 96 -0.059 3.579 -8.141 529 2HB LEU 96 HB1 LEU 96 -0.221 4.171 -6.487 530 HG LEU 96 HG LEU 96 -2.646 3.014 -7.793 531 1HD1 LEU 96 HD11 LEU 96 -1.527 0.836 -6.527 532 2HD1 LEU 96 HD12 LEU 96 -0.130 1.563 -7.321 533 3HD1 LEU 96 HD13 LEU 96 -1.538 1.092 -8.272 534 1HD2 LEU 96 HD21 LEU 96 -2.306 2.040 -5.204 535 2HD2 LEU 96 HD22 LEU 96 -3.297 3.424 -5.664 536 3HD2 LEU 96 HD23 LEU 96 -1.634 3.669 -5.129 537 H LEU 97 HN LEU 97 -1.319 6.319 -5.620 538 HA LEU 97 HA LEU 97 -4.047 5.761 -4.794 539 1HB LEU 97 HB2 LEU 97 -1.693 6.494 -3.503 540 2HB LEU 97 HB1 LEU 97 -2.715 7.924 -3.346 541 HG LEU 97 HG LEU 97 -3.095 6.385 -1.464 542 1HD1 LEU 97 HD11 LEU 97 -5.050 7.469 -3.181 543 2HD1 LEU 97 HD12 LEU 97 -5.261 7.002 -1.494 544 3HD1 LEU 97 HD13 LEU 97 -5.618 5.849 -2.780 545 1HD2 LEU 97 HD21 LEU 97 -4.478 4.313 -2.963 546 2HD2 LEU 97 HD22 LEU 97 -3.206 4.148 -1.753 547 3HD2 LEU 97 HD23 LEU 97 -2.785 4.417 -3.444 548 H GLU 98 HN GLU 98 -2.334 8.593 -6.074 549 HA GLU 98 HA GLU 98 -4.555 10.410 -5.750 550 1HB GLU 98 HB2 GLU 98 -1.887 10.629 -6.529 551 2HB GLU 98 HB1 GLU 98 -2.789 11.031 -7.991 552 1HG GLU 98 HG2 GLU 98 -4.080 12.712 -6.783 553 2HG GLU 98 HG1 GLU 98 -3.294 12.266 -5.268 554 H ALA 99 HN ALA 99 -3.803 7.933 -8.046 555 HA ALA 99 HA ALA 99 -5.156 8.849 -10.351 556 1HB ALA 99 HB1 ALA 99 -5.241 5.996 -9.341 557 2HB ALA 99 HB2 ALA 99 -3.810 6.701 -10.093 558 3HB ALA 99 HB3 ALA 99 -5.306 6.549 -11.014 559 H LYS 100 HN LYS 100 -6.416 7.612 -7.315 560 HA LYS 100 HA LYS 100 -9.162 7.470 -8.393 561 1HB LYS 100 HB2 LYS 100 -7.924 6.879 -5.701 562 2HB LYS 100 HB1 LYS 100 -9.673 6.920 -5.929 563 1HG LYS 100 HG2 LYS 100 -9.680 4.911 -6.959 564 2HG LYS 100 HG1 LYS 100 -8.335 5.366 -8.006 565 1HD LYS 100 HD2 LYS 100 -7.398 5.042 -5.294 566 2HD LYS 100 HD1 LYS 100 -8.260 3.591 -5.809 567 1HE LYS 100 HE2 LYS 100 -6.283 4.860 -7.677 568 2HE LYS 100 HE1 LYS 100 -5.697 3.849 -6.356 569 1HZ LYS 100 HZ1 LYS 100 -6.461 2.902 -8.729 570 2HZ LYS 100 HZ2 LYS 100 -7.917 2.761 -7.866 571 3HZ LYS 100 HZ3 LYS 100 -6.511 1.998 -7.295 572 H GLY 101 HN GLY 101 -7.124 9.647 -6.584 573 1HA GLY 101 HA2 GLY 101 -7.619 11.999 -6.373 574 2HA GLY 101 HA1 GLY 101 -9.329 11.632 -6.603 575 H MET 102 HN MET 102 -7.349 9.766 -4.398 576 HA MET 102 HA MET 102 -8.934 10.926 -2.145 577 1HB MET 102 HB2 MET 102 -7.504 8.254 -2.256 578 2HB MET 102 HB1 MET 102 -8.600 8.813 -0.992 579 1HG MET 102 HG2 MET 102 -10.292 9.106 -2.986 580 2HG MET 102 HG1 MET 102 -9.231 7.957 -3.801 581 1HE MET 102 HE1 MET 102 -9.190 4.885 -1.563 582 2HE MET 102 HE2 MET 102 -8.185 6.265 -1.132 583 3HE MET 102 HE3 MET 102 -8.415 5.849 -2.828 584 H LYS 103 HN LYS 103 -7.568 10.484 0.034 585 HA LYS 103 HA LYS 103 -5.074 12.016 -0.347 586 1HB LYS 103 HB2 LYS 103 -6.966 11.523 1.845 587 2HB LYS 103 HB1 LYS 103 -5.278 11.469 2.356 588 1HG LYS 103 HG2 LYS 103 -6.164 13.696 0.558 589 2HG LYS 103 HG1 LYS 103 -6.575 13.775 2.271 590 1HD LYS 103 HD2 LYS 103 -4.323 13.814 2.941 591 2HD LYS 103 HD1 LYS 103 -3.759 13.148 1.407 592 1HE LYS 103 HE2 LYS 103 -4.396 15.236 0.260 593 2HE LYS 103 HE1 LYS 103 -4.963 15.905 1.790 594 1HZ LYS 103 HZ1 LYS 103 -2.406 14.976 2.256 595 2HZ LYS 103 HZ2 LYS 103 -2.904 16.596 2.142 596 3HZ LYS 103 HZ3 LYS 103 -2.326 15.784 0.767 597 H VAL 104 HN VAL 104 -3.074 11.275 0.789 598 HA VAL 104 HA VAL 104 -2.892 8.402 1.399 599 HB VAL 104 HB VAL 104 -2.609 8.311 -1.000 600 1HG1 VAL 104 HG11 VAL 104 -0.496 10.459 -0.644 601 2HG1 VAL 104 HG12 VAL 104 -2.111 10.734 -1.296 602 3HG1 VAL 104 HG13 VAL 104 -0.971 9.708 -2.167 603 1HG2 VAL 104 HG21 VAL 104 0.261 8.306 -0.393 604 2HG2 VAL 104 HG22 VAL 104 -0.787 6.968 -0.867 605 3HG2 VAL 104 HG23 VAL 104 -0.698 7.463 0.824 606 H LYS 105 HN LYS 105 -1.287 8.056 2.900 607 HA LYS 105 HA LYS 105 0.464 10.393 3.531 608 1HB LYS 105 HB2 LYS 105 -1.136 8.645 5.162 609 2HB LYS 105 HB1 LYS 105 0.559 8.468 5.617 610 1HG LYS 105 HG2 LYS 105 0.699 10.998 5.694 611 2HG LYS 105 HG1 LYS 105 -1.055 11.027 5.512 612 1HD LYS 105 HD2 LYS 105 -1.380 9.851 7.573 613 2HD LYS 105 HD1 LYS 105 0.336 9.460 7.695 614 1HE LYS 105 HE2 LYS 105 0.877 11.843 7.958 615 2HE LYS 105 HE1 LYS 105 -0.829 12.259 7.796 616 1HZ LYS 105 HZ1 LYS 105 -0.528 12.176 10.068 617 2HZ LYS 105 HZ2 LYS 105 0.534 10.852 9.997 618 3HZ LYS 105 HZ3 LYS 105 -1.130 10.625 9.738 619 H LEU 106 HN LEU 106 2.360 10.042 2.423 620 HA LEU 106 HA LEU 106 3.489 7.632 1.597 621 1HB LEU 106 HB2 LEU 106 4.319 10.304 1.700 622 2HB LEU 106 HB1 LEU 106 5.552 9.424 2.605 623 HG LEU 106 HG LEU 106 5.605 7.767 0.663 624 1HD1 LEU 106 HD11 LEU 106 4.258 10.040 -0.816 625 2HD1 LEU 106 HD12 LEU 106 3.385 8.615 -0.252 626 3HD1 LEU 106 HD13 LEU 106 4.676 8.445 -1.442 627 1HD2 LEU 106 HD21 LEU 106 7.423 9.312 0.900 628 2HD2 LEU 106 HD22 LEU 106 6.438 10.661 0.334 629 3HD2 LEU 106 HD23 LEU 106 6.930 9.395 -0.791 630 H ALA 107 HN ALA 107 3.309 8.928 4.825 631 HA ALA 107 HA ALA 107 4.201 8.145 6.864 632 1HB ALA 107 HB1 ALA 107 4.210 5.404 6.584 633 2HB ALA 107 HB2 ALA 107 3.054 5.899 5.349 634 3HB ALA 107 HB3 ALA 107 2.801 6.365 7.030 635 H GLY 108 HN GLY 108 6.348 9.047 5.881 636 1HA GLY 108 HA2 GLY 108 8.289 6.806 5.499 637 2HA GLY 108 HA1 GLY 108 8.544 8.451 4.915 638 H GLY 109 HN GLY 109 10.634 7.996 6.210 639 1HA GLY 109 HA2 GLY 109 11.168 9.606 8.247 640 2HA GLY 109 HA1 GLY 109 10.252 8.383 9.130 641 H LEU 110 HN LEU 110 12.907 8.841 9.805 642 HA LEU 110 HA LEU 110 14.917 7.684 10.154 643 1HB LEU 110 HB2 LEU 110 12.967 5.545 9.386 644 2HB LEU 110 HB1 LEU 110 14.679 5.128 9.462 645 HG LEU 110 HG LEU 110 13.221 6.537 11.710 646 1HD1 LEU 110 HD11 LEU 110 12.664 3.984 10.917 647 2HD1 LEU 110 HD12 LEU 110 12.559 4.540 12.587 648 3HD1 LEU 110 HD13 LEU 110 14.006 3.704 12.026 649 1HD2 LEU 110 HD21 LEU 110 15.959 5.406 11.254 650 2HD2 LEU 110 HD22 LEU 110 15.278 5.325 12.880 651 3HD2 LEU 110 HD23 LEU 110 15.486 6.887 12.087 652 H GLU 111 HN GLU 111 15.981 8.904 8.465 653 HA GLU 111 HA GLU 111 17.257 7.336 6.473 654 1HB GLU 111 HB2 GLU 111 15.033 7.301 5.400 655 2HB GLU 111 HB1 GLU 111 14.999 9.065 5.413 656 1HG GLU 111 HG2 GLU 111 16.982 9.141 3.975 657 2HG GLU 111 HG1 GLU 111 17.089 7.381 4.001 Start of MODEL 7 1 HA LYS 29 HA LYS 29 -4.388 19.998 6.855 2 1HB LYS 29 HB2 LYS 29 -1.682 19.533 8.148 3 2HB LYS 29 HB1 LYS 29 -1.951 20.272 6.568 4 1HG LYS 29 HG2 LYS 29 -3.242 22.085 7.627 5 2HG LYS 29 HG1 LYS 29 -2.986 21.347 9.209 6 1HD LYS 29 HD2 LYS 29 -0.573 21.646 9.002 7 2HD LYS 29 HD1 LYS 29 -0.765 22.282 7.368 8 1HE LYS 29 HE2 LYS 29 -2.088 24.167 8.255 9 2HE LYS 29 HE1 LYS 29 -1.893 23.535 9.889 10 1HZ LYS 29 HZ1 LYS 29 0.627 23.608 9.175 11 2HZ LYS 29 HZ2 LYS 29 -0.154 24.966 9.832 12 3HZ LYS 29 HZ3 LYS 29 0.061 24.837 8.152 13 H GLY 30 HN GLY 30 -5.443 17.631 6.848 14 1HA GLY 30 HA2 GLY 30 -3.975 16.090 4.950 15 2HA GLY 30 HA1 GLY 30 -3.797 15.337 6.535 16 H ASP 31 HN ASP 31 -5.212 14.225 4.241 17 HA ASP 31 HA ASP 31 -7.775 13.684 5.594 18 1HB ASP 31 HB2 ASP 31 -8.035 15.687 3.970 19 2HB ASP 31 HB1 ASP 31 -7.845 14.490 2.688 20 H GLY 32 HN GLY 32 -5.724 11.910 5.377 21 1HA GLY 32 HA2 GLY 32 -6.080 9.517 4.801 22 2HA GLY 32 HA1 GLY 32 -6.678 10.058 3.231 23 H VAL 33 HN VAL 33 -4.109 8.584 4.537 24 HA VAL 33 HA VAL 33 -2.313 9.594 2.398 25 HB VAL 33 HB VAL 33 -1.525 9.321 5.315 26 1HG1 VAL 33 HG11 VAL 33 0.102 8.640 3.329 27 2HG1 VAL 33 HG12 VAL 33 0.693 9.589 4.694 28 3HG1 VAL 33 HG13 VAL 33 0.280 10.388 3.177 29 1HG2 VAL 33 HG21 VAL 33 -1.552 11.730 3.468 30 2HG2 VAL 33 HG22 VAL 33 -1.096 11.726 5.172 31 3HG2 VAL 33 HG23 VAL 33 -2.766 11.402 4.705 32 H VAL 34 HN VAL 34 -2.564 7.609 1.300 33 HA VAL 34 HA VAL 34 -1.945 5.113 2.771 34 HB VAL 34 HB VAL 34 -2.850 5.630 -0.077 35 1HG1 VAL 34 HG11 VAL 34 -2.334 3.024 1.388 36 2HG1 VAL 34 HG12 VAL 34 -1.432 3.635 0.002 37 3HG1 VAL 34 HG13 VAL 34 -3.118 3.156 -0.186 38 1HG2 VAL 34 HG21 VAL 34 -4.409 5.888 2.013 39 2HG2 VAL 34 HG22 VAL 34 -4.344 4.127 2.062 40 3HG2 VAL 34 HG23 VAL 34 -4.979 4.947 0.635 41 H ARG 35 HN ARG 35 0.220 4.760 3.006 42 HA ARG 35 HA ARG 35 2.080 5.644 0.880 43 1HB ARG 35 HB2 ARG 35 2.586 4.387 3.596 44 2HB ARG 35 HB1 ARG 35 3.842 4.952 2.494 45 1HG ARG 35 HG2 ARG 35 2.647 7.221 2.541 46 2HG ARG 35 HG1 ARG 35 1.746 6.594 3.921 47 1HD ARG 35 HD2 ARG 35 4.068 5.990 4.901 48 2HD ARG 35 HD1 ARG 35 4.709 7.098 3.688 49 HE ARG 35 HE ARG 35 2.728 8.578 4.919 50 1HH1 ARG 35 HH11 ARG 35 4.364 6.331 6.746 51 2HH1 ARG 35 HH12 ARG 35 5.128 7.467 7.807 52 1HH2 ARG 35 HH21 ARG 35 4.175 10.239 5.955 53 2HH2 ARG 35 HH22 ARG 35 5.021 9.680 7.359 54 H ILE 36 HN ILE 36 2.969 4.240 -0.573 55 HA ILE 36 HA ILE 36 2.621 1.314 -0.054 56 HB ILE 36 HB ILE 36 2.391 2.752 -2.717 57 1HG1 ILE 36 HG12 ILE 36 0.134 1.176 -1.636 58 2HG1 ILE 36 HG11 ILE 36 0.504 2.647 -0.736 59 1HG2 ILE 36 HG21 ILE 36 2.447 0.721 -3.724 60 2HG2 ILE 36 HG22 ILE 36 1.456 -0.023 -2.468 61 3HG2 ILE 36 HG23 ILE 36 3.195 0.154 -2.231 62 1HD1 ILE 36 HD11 ILE 36 -0.709 2.350 -3.375 63 2HD1 ILE 36 HD12 ILE 36 0.677 3.441 -3.400 64 3HD1 ILE 36 HD13 ILE 36 -0.674 3.757 -2.311 65 H GLN 37 HN GLN 37 4.525 0.217 -0.110 66 HA GLN 37 HA GLN 37 6.701 1.137 -1.880 67 1HB GLN 37 HB2 GLN 37 8.339 1.085 0.034 68 2HB GLN 37 HB1 GLN 37 7.183 2.415 0.121 69 1HG GLN 37 HG2 GLN 37 5.835 0.420 1.443 70 2HG GLN 37 HG1 GLN 37 7.506 0.093 1.904 71 1HE2 GLN 37 HE21 GLN 37 6.245 0.886 4.064 72 2HE2 GLN 37 HE22 GLN 37 6.433 2.538 4.405 73 H ARG 38 HN ARG 38 8.731 -0.483 -0.957 74 HA ARG 38 HA ARG 38 7.539 -3.208 -0.765 75 1HB ARG 38 HB2 ARG 38 9.105 -4.019 -2.492 76 2HB ARG 38 HB1 ARG 38 8.037 -2.778 -3.147 77 1HG ARG 38 HG2 ARG 38 9.873 -1.093 -2.580 78 2HG ARG 38 HG1 ARG 38 10.927 -2.481 -2.308 79 1HD ARG 38 HD2 ARG 38 9.820 -3.128 -4.723 80 2HD ARG 38 HD1 ARG 38 9.894 -1.370 -4.842 81 HE ARG 38 HE ARG 38 12.401 -1.969 -3.945 82 1HH1 ARG 38 HH21 ARG 38 10.862 -1.921 -6.872 83 2HH1 ARG 38 HH22 ARG 38 11.970 -2.965 -7.698 84 1HH2 ARG 38 HH11 ARG 38 13.649 -3.905 -4.814 85 2HH2 ARG 38 HH12 ARG 38 13.548 -4.088 -6.533 86 H GLN 39 HN GLN 39 8.439 -4.153 0.995 87 HA GLN 39 HA GLN 39 11.046 -3.174 1.992 88 1HB GLN 39 HB2 GLN 39 8.774 -3.906 3.307 89 2HB GLN 39 HB1 GLN 39 9.696 -5.408 3.388 90 1HG GLN 39 HG2 GLN 39 11.610 -4.211 4.346 91 2HG GLN 39 HG1 GLN 39 10.736 -2.684 4.221 92 1HE2 GLN 39 HE21 GLN 39 11.564 -3.423 6.767 93 2HE2 GLN 39 HE22 GLN 39 10.237 -3.933 7.694 94 H THR 40 HN THR 40 12.869 -4.178 1.310 95 HA THR 40 HA THR 40 12.657 -7.011 0.394 96 HB THR 40 HB THR 40 14.881 -6.522 -0.706 97 HG1 THR 40 HG1 THR 40 14.253 -3.820 -0.232 98 1HG2 THR 40 HG21 THR 40 13.350 -4.445 -1.963 99 2HG2 THR 40 HG22 THR 40 12.255 -5.726 -1.442 100 3HG2 THR 40 HG23 THR 40 13.609 -6.102 -2.508 101 H SER 41 HN SER 41 15.223 -7.881 0.653 102 HA SER 41 HA SER 41 16.538 -7.222 3.101 103 1HB SER 41 HB2 SER 41 14.945 -8.103 4.501 104 2HB SER 41 HB1 SER 41 14.288 -9.161 3.255 105 HG SER 41 HG SER 41 15.496 -10.202 5.005 106 H GLY 42 HN GLY 42 15.633 -10.080 1.143 107 1HA GLY 42 HA2 GLY 42 18.533 -10.808 1.099 108 2HA GLY 42 HA1 GLY 42 17.218 -11.968 0.899 109 H ARG 43 HN ARG 43 18.735 -12.348 -1.095 110 HA ARG 43 HA ARG 43 17.530 -10.834 -3.357 111 1HB ARG 43 HB2 ARG 43 20.263 -10.640 -2.505 112 2HB ARG 43 HB1 ARG 43 20.217 -11.457 -4.067 113 1HG ARG 43 HG2 ARG 43 19.013 -9.649 -5.079 114 2HG ARG 43 HG1 ARG 43 18.701 -8.898 -3.514 115 1HD ARG 43 HD2 ARG 43 20.647 -7.776 -3.622 116 2HD ARG 43 HD1 ARG 43 21.535 -9.285 -3.831 117 HE ARG 43 HE ARG 43 20.440 -8.762 -6.339 118 1HH1 ARG 43 HH11 ARG 43 23.298 -8.330 -4.799 119 2HH1 ARG 43 HH12 ARG 43 23.800 -6.917 -5.667 120 1HH2 ARG 43 HH21 ARG 43 20.710 -6.411 -7.157 121 2HH2 ARG 43 HH22 ARG 43 22.335 -5.831 -7.002 122 H LYS 44 HN LYS 44 16.528 -13.229 -2.753 123 HA LYS 44 HA LYS 44 17.331 -14.881 -5.024 124 1HB LYS 44 HB2 LYS 44 17.604 -16.922 -3.444 125 2HB LYS 44 HB1 LYS 44 18.963 -15.806 -3.588 126 1HG LYS 44 HG2 LYS 44 18.205 -14.629 -1.547 127 2HG LYS 44 HG1 LYS 44 16.871 -15.773 -1.393 128 1HD LYS 44 HD2 LYS 44 18.513 -17.634 -1.244 129 2HD LYS 44 HD1 LYS 44 19.824 -16.455 -1.315 130 1HE LYS 44 HE2 LYS 44 19.190 -15.478 0.769 131 2HE LYS 44 HE1 LYS 44 17.644 -16.326 0.777 132 1HZ LYS 44 HZ1 LYS 44 18.630 -17.948 1.888 133 2HZ LYS 44 HZ2 LYS 44 20.147 -17.196 1.752 134 3HZ LYS 44 HZ3 LYS 44 19.611 -18.260 0.540 135 H GLY 45 HN GLY 45 14.930 -13.493 -3.962 136 1HA GLY 45 HA2 GLY 45 13.052 -15.715 -4.325 137 2HA GLY 45 HA1 GLY 45 12.977 -14.959 -2.733 138 H LYS 46 HN LYS 46 11.345 -13.502 -2.647 139 HA LYS 46 HA LYS 46 10.988 -11.673 -4.980 140 1HB LYS 46 HB2 LYS 46 8.664 -12.733 -3.365 141 2HB LYS 46 HB1 LYS 46 8.623 -11.904 -4.921 142 1HG LYS 46 HG2 LYS 46 9.833 -13.833 -5.941 143 2HG LYS 46 HG1 LYS 46 9.743 -14.671 -4.391 144 1HD LYS 46 HD2 LYS 46 7.413 -14.910 -4.507 145 2HD LYS 46 HD1 LYS 46 7.241 -13.596 -5.672 146 1HE LYS 46 HE2 LYS 46 8.312 -14.955 -7.406 147 2HE LYS 46 HE1 LYS 46 8.573 -16.259 -6.248 148 1HZ LYS 46 HZ1 LYS 46 6.570 -17.007 -6.766 149 2HZ LYS 46 HZ2 LYS 46 6.261 -15.665 -7.760 150 3HZ LYS 46 HZ3 LYS 46 5.889 -15.602 -6.104 151 H GLY 47 HN GLY 47 8.736 -10.350 -3.644 152 1HA GLY 47 HA2 GLY 47 9.994 -9.285 -1.169 153 2HA GLY 47 HA1 GLY 47 9.622 -8.154 -2.471 154 H VAL 48 HN VAL 48 8.190 -7.175 -0.765 155 HA VAL 48 HA VAL 48 5.461 -8.232 -1.076 156 HB VAL 48 HB VAL 48 5.053 -8.158 1.403 157 1HG1 VAL 48 HG11 VAL 48 5.630 -10.260 0.045 158 2HG1 VAL 48 HG12 VAL 48 5.870 -10.360 1.789 159 3HG1 VAL 48 HG13 VAL 48 7.252 -10.117 0.722 160 1HG2 VAL 48 HG21 VAL 48 6.648 -7.302 2.743 161 2HG2 VAL 48 HG22 VAL 48 7.710 -7.090 1.351 162 3HG2 VAL 48 HG23 VAL 48 7.742 -8.599 2.263 163 H CYS 49 HN CYS 49 3.899 -6.592 -0.791 164 HA CYS 49 HA CYS 49 5.004 -3.852 -0.741 165 1HB CYS 49 HB2 CYS 49 2.661 -5.157 -1.864 166 2HB CYS 49 HB1 CYS 49 2.211 -3.710 -0.962 167 HG CYS 49 HG CYS 49 3.973 -2.375 -2.455 168 H LEU 50 HN LEU 50 4.835 -2.524 1.016 169 HA LEU 50 HA LEU 50 3.094 -3.453 3.267 170 1HB LEU 50 HB2 LEU 50 5.890 -2.903 3.210 171 2HB LEU 50 HB1 LEU 50 5.122 -1.636 4.168 172 HG LEU 50 HG LEU 50 3.944 -4.185 4.821 173 1HD1 LEU 50 HD11 LEU 50 6.331 -4.752 6.014 174 2HD1 LEU 50 HD12 LEU 50 6.880 -4.123 4.460 175 3HD1 LEU 50 HD13 LEU 50 5.781 -5.501 4.515 176 1HD2 LEU 50 HD21 LEU 50 5.322 -1.901 6.155 177 2HD2 LEU 50 HD22 LEU 50 5.234 -3.416 7.054 178 3HD2 LEU 50 HD23 LEU 50 3.754 -2.627 6.508 179 H ILE 51 HN ILE 51 1.360 -2.124 3.462 180 HA ILE 51 HA ILE 51 1.769 0.788 2.897 181 HB ILE 51 HB ILE 51 -0.713 -0.910 2.489 182 1HG1 ILE 51 HG12 ILE 51 0.475 0.680 0.291 183 2HG1 ILE 51 HG11 ILE 51 1.456 -0.678 0.844 184 1HG2 ILE 51 HG21 ILE 51 -1.243 1.472 1.303 185 2HG2 ILE 51 HG22 ILE 51 -0.252 2.017 2.656 186 3HG2 ILE 51 HG23 ILE 51 -1.722 1.089 2.957 187 1HD1 ILE 51 HD11 ILE 51 -1.377 -1.368 0.587 188 2HD1 ILE 51 HD12 ILE 51 0.041 -2.197 -0.054 189 3HD1 ILE 51 HD13 ILE 51 -0.664 -0.843 -0.938 190 H THR 52 HN THR 52 1.847 1.789 4.863 191 HA THR 52 HA THR 52 -0.358 1.235 6.774 192 HB THR 52 HB THR 52 1.559 -0.138 7.523 193 HG1 THR 52 HG1 THR 52 1.546 0.638 9.594 194 1HG2 THR 52 HG21 THR 52 3.570 1.230 8.387 195 2HG2 THR 52 HG22 THR 52 2.973 2.519 7.341 196 3HG2 THR 52 HG23 THR 52 3.453 0.971 6.646 197 H GLY 53 HN GLY 53 -0.520 2.997 8.428 198 1HA GLY 53 HA2 GLY 53 0.014 5.249 9.162 199 2HA GLY 53 HA1 GLY 53 0.830 5.523 7.622 200 H VAL 54 HN VAL 54 -2.251 3.931 7.569 201 HA VAL 54 HA VAL 54 -3.377 6.108 5.981 202 HB VAL 54 HB VAL 54 -4.687 3.588 7.049 203 1HG1 VAL 54 HG11 VAL 54 -5.811 4.509 4.605 204 2HG1 VAL 54 HG12 VAL 54 -5.723 5.898 5.689 205 3HG1 VAL 54 HG13 VAL 54 -6.583 4.442 6.190 206 1HG2 VAL 54 HG21 VAL 54 -2.777 3.073 5.604 207 2HG2 VAL 54 HG22 VAL 54 -3.363 4.209 4.389 208 3HG2 VAL 54 HG23 VAL 54 -4.277 2.742 4.738 209 H ASP 55 HN ASP 55 -4.115 7.907 7.001 210 HA ASP 55 HA ASP 55 -5.239 7.652 9.739 211 1HB ASP 55 HB2 ASP 55 -3.483 9.426 9.012 212 2HB ASP 55 HB1 ASP 55 -4.847 10.241 8.245 213 H LEU 56 HN LEU 56 -7.141 6.517 8.586 214 HA LEU 56 HA LEU 56 -9.162 8.605 7.923 215 1HB LEU 56 HB2 LEU 56 -8.615 6.055 6.381 216 2HB LEU 56 HB1 LEU 56 -10.094 7.000 6.200 217 HG LEU 56 HG LEU 56 -7.490 8.448 5.995 218 1HD1 LEU 56 HD11 LEU 56 -8.492 6.371 4.089 219 2HD1 LEU 56 HD12 LEU 56 -6.834 6.819 4.487 220 3HD1 LEU 56 HD13 LEU 56 -7.792 7.844 3.417 221 1HD2 LEU 56 HD21 LEU 56 -10.074 9.207 5.764 222 2HD2 LEU 56 HD22 LEU 56 -9.751 8.770 4.086 223 3HD2 LEU 56 HD23 LEU 56 -8.768 10.000 4.882 224 H ASP 57 HN ASP 57 -11.440 7.515 7.975 225 HA ASP 57 HA ASP 57 -12.020 6.581 10.535 226 1HB ASP 57 HB2 ASP 57 -13.406 6.602 7.942 227 2HB ASP 57 HB1 ASP 57 -13.935 5.303 9.012 228 H ASP 58 HN ASP 58 -12.923 4.298 11.044 229 HA ASP 58 HA ASP 58 -10.791 2.381 10.531 230 1HB ASP 58 HB2 ASP 58 -13.219 2.520 12.230 231 2HB ASP 58 HB1 ASP 58 -12.723 0.902 11.735 232 H ALA 59 HN ALA 59 -14.174 2.759 9.511 233 HA ALA 59 HA ALA 59 -14.367 0.272 8.104 234 1HB ALA 59 HB1 ALA 59 -15.827 2.900 7.934 235 2HB ALA 59 HB2 ALA 59 -16.428 1.335 8.480 236 3HB ALA 59 HB3 ALA 59 -16.153 1.623 6.762 237 H GLU 60 HN GLU 60 -13.032 3.407 7.233 238 HA GLU 60 HA GLU 60 -12.873 3.021 4.409 239 1HB GLU 60 HB2 GLU 60 -11.541 4.762 6.418 240 2HB GLU 60 HB1 GLU 60 -10.686 4.538 4.891 241 1HG GLU 60 HG2 GLU 60 -13.162 4.973 3.927 242 2HG GLU 60 HG1 GLU 60 -13.282 5.892 5.428 243 H LEU 61 HN LEU 61 -10.545 2.260 7.007 244 HA LEU 61 HA LEU 61 -8.437 1.280 5.425 245 1HB LEU 61 HB2 LEU 61 -9.446 0.583 8.172 246 2HB LEU 61 HB1 LEU 61 -8.119 -0.338 7.463 247 HG LEU 61 HG LEU 61 -7.994 2.654 7.375 248 1HD1 LEU 61 HD11 LEU 61 -8.276 1.167 9.799 249 2HD1 LEU 61 HD12 LEU 61 -7.915 2.883 9.611 250 3HD1 LEU 61 HD13 LEU 61 -6.601 1.709 9.686 251 1HD2 LEU 61 HD21 LEU 61 -6.324 0.486 6.689 252 2HD2 LEU 61 HD22 LEU 61 -5.603 1.203 8.130 253 3HD2 LEU 61 HD23 LEU 61 -5.891 2.195 6.701 254 H THR 62 HN THR 62 -11.355 -0.419 6.558 255 HA THR 62 HA THR 62 -10.610 -2.944 5.350 256 HB THR 62 HB THR 62 -13.304 -1.874 6.244 257 HG1 THR 62 HG1 THR 62 -12.614 -3.696 7.837 258 1HG2 THR 62 HG21 THR 62 -12.433 -4.667 5.456 259 2HG2 THR 62 HG22 THR 62 -13.603 -3.658 4.605 260 3HG2 THR 62 HG23 THR 62 -13.974 -4.273 6.216 261 H LYS 63 HN LYS 63 -12.189 -0.043 4.219 262 HA LYS 63 HA LYS 63 -13.516 -1.137 1.932 263 1HB LYS 63 HB2 LYS 63 -13.999 1.128 2.693 264 2HB LYS 63 HB1 LYS 63 -12.331 1.617 2.392 265 1HG LYS 63 HG2 LYS 63 -12.646 1.779 0.138 266 2HG LYS 63 HG1 LYS 63 -13.726 0.384 0.089 267 1HD LYS 63 HD2 LYS 63 -15.138 2.285 1.567 268 2HD LYS 63 HD1 LYS 63 -14.385 3.217 0.272 269 1HE LYS 63 HE2 LYS 63 -15.235 1.387 -1.319 270 2HE LYS 63 HE1 LYS 63 -16.242 0.847 0.024 271 1HZ LYS 63 HZ1 LYS 63 -17.247 3.013 0.137 272 2HZ LYS 63 HZ2 LYS 63 -17.387 2.417 -1.448 273 3HZ LYS 63 HZ3 LYS 63 -16.226 3.603 -1.081 274 H LEU 64 HN LEU 64 -10.396 0.626 2.062 275 HA LEU 64 HA LEU 64 -9.628 -0.104 -0.603 276 1HB LEU 64 HB2 LEU 64 -8.419 1.250 1.693 277 2HB LEU 64 HB1 LEU 64 -7.252 0.294 0.778 278 HG LEU 64 HG LEU 64 -9.192 2.162 -0.588 279 1HD1 LEU 64 HD11 LEU 64 -7.504 3.159 1.221 280 2HD1 LEU 64 HD12 LEU 64 -7.775 3.970 -0.322 281 3HD1 LEU 64 HD13 LEU 64 -6.351 2.955 -0.097 282 1HD2 LEU 64 HD21 LEU 64 -8.235 0.774 -2.200 283 2HD2 LEU 64 HD22 LEU 64 -6.720 0.617 -1.311 284 3HD2 LEU 64 HD23 LEU 64 -7.082 2.109 -2.178 285 H ALA 65 HN ALA 65 -9.236 -1.678 2.520 286 HA ALA 65 HA ALA 65 -7.230 -3.562 1.850 287 1HB ALA 65 HB1 ALA 65 -7.823 -3.528 4.121 288 2HB ALA 65 HB2 ALA 65 -8.551 -5.033 3.560 289 3HB ALA 65 HB3 ALA 65 -9.550 -3.594 3.769 290 H ALA 66 HN ALA 66 -10.786 -3.868 1.559 291 HA ALA 66 HA ALA 66 -10.631 -6.452 0.263 292 1HB ALA 66 HB1 ALA 66 -13.070 -5.555 -0.473 293 2HB ALA 66 HB2 ALA 66 -12.754 -4.459 0.872 294 3HB ALA 66 HB3 ALA 66 -12.740 -6.203 1.133 295 H GLU 67 HN GLU 67 -10.546 -3.130 -0.849 296 HA GLU 67 HA GLU 67 -11.192 -3.614 -3.596 297 1HB GLU 67 HB2 GLU 67 -9.876 -1.442 -2.049 298 2HB GLU 67 HB1 GLU 67 -9.533 -1.493 -3.779 299 1HG GLU 67 HG2 GLU 67 -12.088 -1.736 -4.084 300 2HG GLU 67 HG1 GLU 67 -12.205 -1.199 -2.408 301 H LEU 68 HN LEU 68 -8.175 -3.916 -1.777 302 HA LEU 68 HA LEU 68 -6.645 -4.427 -4.246 303 1HB LEU 68 HB2 LEU 68 -5.854 -4.509 -1.320 304 2HB LEU 68 HB1 LEU 68 -4.740 -4.775 -2.661 305 HG LEU 68 HG LEU 68 -6.410 -2.320 -2.800 306 1HD1 LEU 68 HD11 LEU 68 -5.138 -2.895 -0.393 307 2HD1 LEU 68 HD12 LEU 68 -5.604 -1.290 -0.955 308 3HD1 LEU 68 HD13 LEU 68 -3.970 -1.887 -1.248 309 1HD2 LEU 68 HD21 LEU 68 -4.868 -2.550 -4.560 310 2HD2 LEU 68 HD22 LEU 68 -3.618 -3.208 -3.504 311 3HD2 LEU 68 HD23 LEU 68 -4.013 -1.490 -3.440 312 H LYS 69 HN LYS 69 -8.003 -6.247 -1.531 313 HA LYS 69 HA LYS 69 -6.692 -8.730 -2.070 314 1HB LYS 69 HB2 LYS 69 -8.742 -7.776 -0.315 315 2HB LYS 69 HB1 LYS 69 -9.328 -9.242 -1.102 316 1HG LYS 69 HG2 LYS 69 -6.773 -9.983 -0.523 317 2HG LYS 69 HG1 LYS 69 -7.106 -8.895 0.825 318 1HD LYS 69 HD2 LYS 69 -9.375 -10.225 0.960 319 2HD LYS 69 HD1 LYS 69 -8.473 -11.463 0.084 320 1HE LYS 69 HE2 LYS 69 -6.678 -11.287 1.850 321 2HE LYS 69 HE1 LYS 69 -7.762 -10.237 2.762 322 1HZ LYS 69 HZ1 LYS 69 -8.857 -11.997 3.502 323 2HZ LYS 69 HZ2 LYS 69 -7.715 -13.004 2.748 324 3HZ LYS 69 HZ3 LYS 69 -9.134 -12.561 1.926 325 H LYS 70 HN LYS 70 -9.152 -7.055 -3.790 326 HA LYS 70 HA LYS 70 -10.385 -9.397 -4.996 327 1HB LYS 70 HB2 LYS 70 -11.408 -7.052 -4.799 328 2HB LYS 70 HB1 LYS 70 -10.371 -6.607 -6.156 329 1HG LYS 70 HG2 LYS 70 -11.649 -7.736 -7.650 330 2HG LYS 70 HG1 LYS 70 -11.825 -9.125 -6.577 331 1HD LYS 70 HD2 LYS 70 -13.658 -8.167 -5.441 332 2HD LYS 70 HD1 LYS 70 -13.291 -6.547 -6.034 333 1HE LYS 70 HE2 LYS 70 -14.062 -7.046 -8.216 334 2HE LYS 70 HE1 LYS 70 -14.014 -8.785 -7.926 335 1HZ LYS 70 HZ1 LYS 70 -16.066 -8.732 -7.126 336 2HZ LYS 70 HZ2 LYS 70 -16.178 -7.108 -7.613 337 3HZ LYS 70 HZ3 LYS 70 -15.684 -7.491 -6.033 338 H LYS 71 HN LYS 71 -7.608 -7.379 -5.717 339 HA LYS 71 HA LYS 71 -7.312 -8.268 -8.462 340 1HB LYS 71 HB2 LYS 71 -5.262 -7.107 -6.545 341 2HB LYS 71 HB1 LYS 71 -5.049 -7.281 -8.288 342 1HG LYS 71 HG2 LYS 71 -6.924 -5.777 -8.709 343 2HG LYS 71 HG1 LYS 71 -7.257 -5.665 -6.980 344 1HD LYS 71 HD2 LYS 71 -5.872 -3.882 -6.946 345 2HD LYS 71 HD1 LYS 71 -4.549 -5.022 -7.194 346 1HE LYS 71 HE2 LYS 71 -4.232 -3.598 -9.003 347 2HE LYS 71 HE1 LYS 71 -5.267 -4.826 -9.728 348 1HZ LYS 71 HZ1 LYS 71 -6.083 -2.622 -10.231 349 2HZ LYS 71 HZ2 LYS 71 -6.171 -2.242 -8.577 350 3HZ LYS 71 HZ3 LYS 71 -7.188 -3.433 -9.233 351 H CYS 72 HN CYS 72 -5.171 -8.945 -5.668 352 HA CYS 72 HA CYS 72 -4.024 -11.277 -6.884 353 1HB CYS 72 HB2 CYS 72 -3.667 -9.796 -4.486 354 2HB CYS 72 HB1 CYS 72 -3.966 -11.468 -4.013 355 HG CYS 72 HG CYS 72 -1.982 -12.162 -5.656 356 H GLY 73 HN GLY 73 -6.370 -11.018 -4.186 357 1HA GLY 73 HA2 GLY 73 -8.284 -12.386 -3.821 358 2HA GLY 73 HA1 GLY 73 -7.824 -13.353 -5.223 359 H CYS 74 HN CYS 74 -5.226 -12.799 -3.102 360 HA CYS 74 HA CYS 74 -5.492 -14.637 -1.033 361 1HB CYS 74 HB2 CYS 74 -6.076 -16.423 -2.500 362 2HB CYS 74 HB1 CYS 74 -4.844 -15.966 -3.674 363 HG CYS 74 HG CYS 74 -3.399 -17.596 -2.495 364 H GLY 75 HN GLY 75 -3.690 -14.257 0.163 365 1HA GLY 75 HA2 GLY 75 -1.213 -14.430 0.314 366 2HA GLY 75 HA1 GLY 75 -1.133 -13.680 -1.281 367 H GLY 76 HN GLY 76 -3.582 -12.072 0.108 368 1HA GLY 76 HA2 GLY 76 -1.743 -9.978 1.195 369 2HA GLY 76 HA1 GLY 76 -3.296 -9.631 0.431 370 H ALA 77 HN ALA 77 -1.901 -9.600 3.360 371 HA ALA 77 HA ALA 77 -4.330 -10.636 4.757 372 1HB ALA 77 HB1 ALA 77 -3.002 -11.312 6.488 373 2HB ALA 77 HB2 ALA 77 -1.926 -9.923 6.339 374 3HB ALA 77 HB3 ALA 77 -1.746 -11.298 5.250 375 H VAL 78 HN VAL 78 -5.704 -9.098 5.479 376 HA VAL 78 HA VAL 78 -4.811 -6.292 5.613 377 HB VAL 78 HB VAL 78 -7.530 -7.470 6.260 378 1HG1 VAL 78 HG11 VAL 78 -6.630 -4.658 5.558 379 2HG1 VAL 78 HG12 VAL 78 -7.133 -5.208 7.156 380 3HG1 VAL 78 HG13 VAL 78 -8.299 -5.158 5.834 381 1HG2 VAL 78 HG21 VAL 78 -6.905 -6.050 3.698 382 2HG2 VAL 78 HG22 VAL 78 -8.123 -7.283 4.026 383 3HG2 VAL 78 HG23 VAL 78 -6.429 -7.741 3.854 384 H LYS 79 HN LYS 79 -4.086 -5.404 7.490 385 HA LYS 79 HA LYS 79 -4.897 -6.736 10.044 386 1HB LYS 79 HB2 LYS 79 -2.284 -6.235 8.980 387 2HB LYS 79 HB1 LYS 79 -2.501 -5.232 10.415 388 1HG LYS 79 HG2 LYS 79 -1.639 -7.364 11.149 389 2HG LYS 79 HG1 LYS 79 -3.337 -7.288 11.621 390 1HD LYS 79 HD2 LYS 79 -3.941 -8.954 10.191 391 2HD LYS 79 HD1 LYS 79 -2.853 -8.390 8.923 392 1HE LYS 79 HE2 LYS 79 -1.626 -9.560 11.382 393 2HE LYS 79 HE1 LYS 79 -2.389 -10.665 10.238 394 1HZ LYS 79 HZ1 LYS 79 -0.398 -8.614 9.452 395 2HZ LYS 79 HZ2 LYS 79 -1.004 -9.884 8.500 396 3HZ LYS 79 HZ3 LYS 79 0.011 -10.218 9.821 397 H ASP 80 HN ASP 80 -5.469 -5.347 11.761 398 HA ASP 80 HA ASP 80 -6.545 -2.784 11.011 399 1HB ASP 80 HB2 ASP 80 -6.015 -3.952 13.761 400 2HB ASP 80 HB1 ASP 80 -7.010 -2.533 13.433 401 H GLY 81 HN GLY 81 -5.013 -1.297 10.329 402 1HA GLY 81 HA2 GLY 81 -3.632 0.571 11.095 403 2HA GLY 81 HA1 GLY 81 -3.004 -0.471 12.373 404 H VAL 82 HN VAL 82 -3.005 -2.576 9.995 405 HA VAL 82 HA VAL 82 -0.566 -1.607 8.603 406 HB VAL 82 HB VAL 82 -0.739 -4.239 10.105 407 1HG1 VAL 82 HG11 VAL 82 1.122 -4.913 8.997 408 2HG1 VAL 82 HG12 VAL 82 1.849 -3.308 9.058 409 3HG1 VAL 82 HG13 VAL 82 0.673 -3.697 7.802 410 1HG2 VAL 82 HG21 VAL 82 1.362 -3.050 11.197 411 2HG2 VAL 82 HG22 VAL 82 -0.264 -2.693 11.777 412 3HG2 VAL 82 HG23 VAL 82 0.540 -1.584 10.666 413 H ILE 83 HN ILE 83 -0.898 -1.974 6.463 414 HA ILE 83 HA ILE 83 -2.782 -4.154 5.692 415 HB ILE 83 HB ILE 83 -1.780 -1.766 4.112 416 1HG1 ILE 83 HG12 ILE 83 -3.398 -1.338 6.024 417 2HG1 ILE 83 HG11 ILE 83 -3.991 -0.859 4.433 418 1HG2 ILE 83 HG21 ILE 83 -3.373 -4.187 3.416 419 2HG2 ILE 83 HG22 ILE 83 -2.290 -3.226 2.408 420 3HG2 ILE 83 HG23 ILE 83 -3.922 -2.650 2.749 421 1HD1 ILE 83 HD11 ILE 83 -4.574 -3.594 5.568 422 2HD1 ILE 83 HD12 ILE 83 -5.411 -2.747 4.266 423 3HD1 ILE 83 HD13 ILE 83 -5.601 -2.208 5.935 424 H GLU 84 HN GLU 84 -1.870 -5.989 4.928 425 HA GLU 84 HA GLU 84 0.911 -5.841 3.854 426 1HB GLU 84 HB2 GLU 84 -0.665 -7.930 5.299 427 2HB GLU 84 HB1 GLU 84 0.543 -8.475 4.135 428 1HG GLU 84 HG2 GLU 84 2.089 -6.730 5.358 429 2HG GLU 84 HG1 GLU 84 0.927 -6.916 6.673 430 H ILE 85 HN ILE 85 1.067 -5.932 1.667 431 HA ILE 85 HA ILE 85 -1.107 -7.349 0.176 432 HB ILE 85 HB ILE 85 0.642 -5.107 -0.870 433 1HG1 ILE 85 HG12 ILE 85 -0.886 -4.468 1.068 434 2HG1 ILE 85 HG11 ILE 85 -1.173 -3.595 -0.438 435 1HG2 ILE 85 HG21 ILE 85 -1.718 -6.668 -1.894 436 2HG2 ILE 85 HG22 ILE 85 -0.209 -6.275 -2.718 437 3HG2 ILE 85 HG23 ILE 85 -1.429 -5.026 -2.466 438 1HD1 ILE 85 HD11 ILE 85 -2.720 -6.029 0.502 439 2HD1 ILE 85 HD12 ILE 85 -3.009 -5.142 -0.995 440 3HD1 ILE 85 HD13 ILE 85 -3.298 -4.364 0.561 441 H GLN 86 HN GLN 86 -0.336 -8.298 -1.935 442 HA GLN 86 HA GLN 86 2.514 -9.192 -1.729 443 1HB GLN 86 HB2 GLN 86 0.012 -10.742 -1.932 444 2HB GLN 86 HB1 GLN 86 1.262 -11.231 -3.077 445 1HG GLN 86 HG2 GLN 86 2.870 -11.212 -1.067 446 2HG GLN 86 HG1 GLN 86 1.421 -11.151 -0.062 447 1HE2 GLN 86 HE21 GLN 86 2.008 -13.364 0.728 448 2HE2 GLN 86 HE22 GLN 86 1.670 -14.716 -0.242 449 H GLY 87 HN GLY 87 3.692 -8.932 -3.589 450 1HA GLY 87 HA2 GLY 87 3.398 -9.263 -6.168 451 2HA GLY 87 HA1 GLY 87 2.216 -7.965 -5.993 452 H ASP 88 HN ASP 88 4.352 -7.536 -7.669 453 HA ASP 88 HA ASP 88 5.893 -5.489 -6.141 454 1HB ASP 88 HB2 ASP 88 7.195 -7.674 -6.676 455 2HB ASP 88 HB1 ASP 88 7.177 -7.098 -8.343 456 H LYS 89 HN LYS 89 4.293 -4.021 -7.114 457 HA LYS 89 HA LYS 89 5.100 -3.260 -9.871 458 1HB LYS 89 HB2 LYS 89 2.261 -3.785 -8.955 459 2HB LYS 89 HB1 LYS 89 2.652 -2.871 -10.412 460 1HG LYS 89 HG2 LYS 89 3.844 -4.785 -11.342 461 2HG LYS 89 HG1 LYS 89 3.585 -5.702 -9.857 462 1HD LYS 89 HD2 LYS 89 1.119 -5.498 -10.214 463 2HD LYS 89 HD1 LYS 89 1.443 -4.713 -11.760 464 1HE LYS 89 HE2 LYS 89 3.004 -6.935 -11.988 465 2HE LYS 89 HE1 LYS 89 1.680 -7.564 -11.008 466 1HZ LYS 89 HZ1 LYS 89 0.347 -6.152 -12.835 467 2HZ LYS 89 HZ2 LYS 89 0.695 -7.808 -12.994 468 3HZ LYS 89 HZ3 LYS 89 1.678 -6.652 -13.759 469 H ARG 90 HN ARG 90 5.990 -1.910 -7.694 470 HA ARG 90 HA ARG 90 4.454 0.060 -6.476 471 1HB ARG 90 HB2 ARG 90 6.564 1.510 -6.641 472 2HB ARG 90 HB1 ARG 90 6.760 -0.071 -5.884 473 1HG ARG 90 HG2 ARG 90 8.380 -0.499 -7.389 474 2HG ARG 90 HG1 ARG 90 7.126 -0.533 -8.629 475 1HD ARG 90 HD2 ARG 90 7.879 1.391 -9.521 476 2HD ARG 90 HD1 ARG 90 7.783 2.201 -7.958 477 HE ARG 90 HE ARG 90 10.103 0.519 -8.014 478 1HH1 ARG 90 HH21 ARG 90 9.063 2.863 -10.206 479 2HH1 ARG 90 HH22 ARG 90 10.462 3.873 -10.049 480 1HH2 ARG 90 HH11 ARG 90 11.804 2.057 -7.417 481 2HH2 ARG 90 HH12 ARG 90 12.014 3.416 -8.470 482 H ASP 91 HN ASP 91 5.374 -0.169 -9.837 483 HA ASP 91 HA ASP 91 4.912 2.563 -10.577 484 1HB ASP 91 HB2 ASP 91 6.061 0.931 -12.048 485 2HB ASP 91 HB1 ASP 91 4.543 0.054 -12.244 486 H LEU 92 HN LEU 92 2.772 -0.287 -10.993 487 HA LEU 92 HA LEU 92 0.467 1.183 -11.758 488 1HB LEU 92 HB2 LEU 92 0.956 -1.424 -11.646 489 2HB LEU 92 HB1 LEU 92 0.174 -1.278 -10.072 490 HG LEU 92 HG LEU 92 -1.144 0.029 -12.415 491 1HD1 LEU 92 HD11 LEU 92 -2.315 -2.130 -12.908 492 2HD1 LEU 92 HD12 LEU 92 -1.172 -2.950 -11.844 493 3HD1 LEU 92 HD13 LEU 92 -0.599 -2.167 -13.317 494 1HD2 LEU 92 HD21 LEU 92 -2.193 -1.537 -10.035 495 2HD2 LEU 92 HD22 LEU 92 -3.153 -0.569 -11.154 496 3HD2 LEU 92 HD23 LEU 92 -2.000 0.216 -10.074 497 H LEU 93 HN LEU 93 1.457 0.037 -8.517 498 HA LEU 93 HA LEU 93 -0.705 1.038 -7.032 499 1HB LEU 93 HB2 LEU 93 2.226 0.735 -6.379 500 2HB LEU 93 HB1 LEU 93 1.084 1.363 -5.190 501 HG LEU 93 HG LEU 93 0.217 -1.093 -6.596 502 1HD1 LEU 93 HD11 LEU 93 2.523 -1.091 -4.625 503 2HD1 LEU 93 HD12 LEU 93 2.586 -1.620 -6.307 504 3HD1 LEU 93 HD13 LEU 93 1.637 -2.530 -5.131 505 1HD2 LEU 93 HD21 LEU 93 -0.368 0.369 -4.235 506 2HD2 LEU 93 HD22 LEU 93 0.262 -1.194 -3.717 507 3HD2 LEU 93 HD23 LEU 93 -1.133 -1.119 -4.792 508 H LYS 94 HN LYS 94 2.071 2.752 -8.378 509 HA LYS 94 HA LYS 94 1.753 5.214 -6.981 510 1HB LYS 94 HB2 LYS 94 3.696 4.569 -8.472 511 2HB LYS 94 HB1 LYS 94 2.657 4.907 -9.857 512 1HG LYS 94 HG2 LYS 94 2.794 7.014 -7.763 513 2HG LYS 94 HG1 LYS 94 4.243 6.783 -8.742 514 1HD LYS 94 HD2 LYS 94 1.976 6.702 -10.482 515 2HD LYS 94 HD1 LYS 94 1.836 8.135 -9.464 516 1HE LYS 94 HE2 LYS 94 4.116 8.814 -10.072 517 2HE LYS 94 HE1 LYS 94 4.299 7.362 -11.057 518 1HZ LYS 94 HZ1 LYS 94 2.031 8.374 -12.034 519 2HZ LYS 94 HZ2 LYS 94 3.568 8.702 -12.680 520 3HZ LYS 94 HZ3 LYS 94 2.841 9.803 -11.610 521 H SER 95 HN SER 95 0.602 4.386 -10.278 522 HA SER 95 HA SER 95 -1.066 6.714 -10.497 523 1HB SER 95 HB2 SER 95 -0.218 5.054 -12.341 524 2HB SER 95 HB1 SER 95 -1.672 4.144 -11.940 525 HG SER 95 HG SER 95 -2.004 5.695 -13.614 526 H LEU 96 HN LEU 96 -1.400 3.877 -8.661 527 HA LEU 96 HA LEU 96 -4.300 3.681 -8.737 528 1HB LEU 96 HB2 LEU 96 -3.065 1.717 -8.093 529 2HB LEU 96 HB1 LEU 96 -2.215 2.600 -6.824 530 HG LEU 96 HG LEU 96 -5.156 2.722 -6.631 531 1HD1 LEU 96 HD11 LEU 96 -4.353 0.221 -5.470 532 2HD1 LEU 96 HD12 LEU 96 -3.946 0.208 -7.186 533 3HD1 LEU 96 HD13 LEU 96 -5.605 0.519 -6.675 534 1HD2 LEU 96 HD21 LEU 96 -4.550 3.211 -4.515 535 2HD2 LEU 96 HD22 LEU 96 -2.862 3.033 -4.995 536 3HD2 LEU 96 HD23 LEU 96 -3.747 1.649 -4.352 537 H LEU 97 HN LEU 97 -2.057 4.752 -6.149 538 HA LEU 97 HA LEU 97 -4.169 5.982 -4.612 539 1HB LEU 97 HB2 LEU 97 -1.439 5.396 -4.235 540 2HB LEU 97 HB1 LEU 97 -1.567 7.150 -4.104 541 HG LEU 97 HG LEU 97 -1.946 6.214 -1.905 542 1HD1 LEU 97 HD11 LEU 97 -3.986 7.270 -1.397 543 2HD1 LEU 97 HD12 LEU 97 -4.720 6.795 -2.929 544 3HD1 LEU 97 HD13 LEU 97 -3.492 8.061 -2.894 545 1HD2 LEU 97 HD21 LEU 97 -2.570 3.933 -2.702 546 2HD2 LEU 97 HD22 LEU 97 -4.139 4.563 -3.203 547 3HD2 LEU 97 HD23 LEU 97 -3.698 4.551 -1.495 548 H GLU 98 HN GLU 98 -2.209 7.024 -7.287 549 HA GLU 98 HA GLU 98 -2.554 9.873 -6.853 550 1HB GLU 98 HB2 GLU 98 -0.821 8.599 -8.356 551 2HB GLU 98 HB1 GLU 98 -2.103 8.656 -9.566 552 1HG GLU 98 HG2 GLU 98 -1.921 11.239 -8.356 553 2HG GLU 98 HG1 GLU 98 -0.294 10.738 -8.821 554 H ALA 99 HN ALA 99 -4.453 7.341 -8.333 555 HA ALA 99 HA ALA 99 -6.161 9.078 -9.893 556 1HB ALA 99 HB1 ALA 99 -7.450 6.632 -8.973 557 2HB ALA 99 HB2 ALA 99 -5.831 6.317 -9.598 558 3HB ALA 99 HB3 ALA 99 -7.028 7.121 -10.614 559 H LYS 100 HN LYS 100 -6.006 8.207 -6.538 560 HA LYS 100 HA LYS 100 -8.766 9.171 -6.046 561 1HB LYS 100 HB2 LYS 100 -6.699 7.706 -4.451 562 2HB LYS 100 HB1 LYS 100 -7.903 8.657 -3.582 563 1HG LYS 100 HG2 LYS 100 -9.679 7.352 -4.335 564 2HG LYS 100 HG1 LYS 100 -8.803 6.805 -5.765 565 1HD LYS 100 HD2 LYS 100 -7.835 6.052 -3.016 566 2HD LYS 100 HD1 LYS 100 -9.131 5.135 -3.785 567 1HE LYS 100 HE2 LYS 100 -7.290 5.356 -5.823 568 2HE LYS 100 HE1 LYS 100 -6.257 5.189 -4.403 569 1HZ LYS 100 HZ1 LYS 100 -8.569 3.404 -4.855 570 2HZ LYS 100 HZ2 LYS 100 -7.225 3.161 -3.844 571 3HZ LYS 100 HZ3 LYS 100 -7.050 3.072 -5.532 572 H GLY 101 HN GLY 101 -5.992 10.684 -6.663 573 1HA GLY 101 HA2 GLY 101 -5.004 12.711 -5.980 574 2HA GLY 101 HA1 GLY 101 -6.677 13.202 -5.707 575 H MET 102 HN MET 102 -5.086 10.590 -3.952 576 HA MET 102 HA MET 102 -5.688 11.979 -1.424 577 1HB MET 102 HB2 MET 102 -4.909 9.214 -2.233 578 2HB MET 102 HB1 MET 102 -4.477 9.732 -0.603 579 1HG MET 102 HG2 MET 102 -7.172 10.563 -1.184 580 2HG MET 102 HG1 MET 102 -7.008 8.837 -1.508 581 1HE MET 102 HE1 MET 102 -5.516 7.470 -0.216 582 2HE MET 102 HE2 MET 102 -6.888 6.962 0.765 583 3HE MET 102 HE3 MET 102 -5.380 7.427 1.547 584 H LYS 103 HN LYS 103 -3.699 11.346 0.272 585 HA LYS 103 HA LYS 103 -1.382 12.836 -0.860 586 1HB LYS 103 HB2 LYS 103 -2.657 12.646 1.794 587 2HB LYS 103 HB1 LYS 103 -0.894 12.624 1.831 588 1HG LYS 103 HG2 LYS 103 -1.154 14.627 0.118 589 2HG LYS 103 HG1 LYS 103 -2.742 14.778 0.872 590 1HD LYS 103 HD2 LYS 103 -1.786 15.098 3.042 591 2HD LYS 103 HD1 LYS 103 -0.186 14.613 2.481 592 1HE LYS 103 HE2 LYS 103 0.154 16.613 1.307 593 2HE LYS 103 HE1 LYS 103 -1.572 16.966 1.220 594 1HZ LYS 103 HZ1 LYS 103 -1.388 17.060 3.775 595 2HZ LYS 103 HZ2 LYS 103 -0.850 18.387 2.861 596 3HZ LYS 103 HZ3 LYS 103 0.271 17.278 3.495 597 H VAL 104 HN VAL 104 -0.841 10.683 -1.957 598 HA VAL 104 HA VAL 104 0.253 8.624 -0.148 599 HB VAL 104 HB VAL 104 -0.981 8.050 -2.276 600 1HG1 VAL 104 HG11 VAL 104 0.653 9.989 -3.376 601 2HG1 VAL 104 HG12 VAL 104 -0.283 8.810 -4.295 602 3HG1 VAL 104 HG13 VAL 104 1.411 8.493 -3.921 603 1HG2 VAL 104 HG21 VAL 104 1.324 6.904 -1.137 604 2HG2 VAL 104 HG22 VAL 104 1.599 6.867 -2.878 605 3HG2 VAL 104 HG23 VAL 104 0.162 6.106 -2.196 606 H LYS 105 HN LYS 105 2.476 8.149 0.020 607 HA LYS 105 HA LYS 105 4.279 10.285 -1.040 608 1HB LYS 105 HB2 LYS 105 3.921 9.440 1.572 609 2HB LYS 105 HB1 LYS 105 5.363 8.557 1.068 610 1HG LYS 105 HG2 LYS 105 6.390 10.668 0.301 611 2HG LYS 105 HG1 LYS 105 4.953 11.552 0.818 612 1HD LYS 105 HD2 LYS 105 5.320 10.834 3.137 613 2HD LYS 105 HD1 LYS 105 6.732 9.901 2.637 614 1HE LYS 105 HE2 LYS 105 7.766 12.017 1.787 615 2HE LYS 105 HE1 LYS 105 6.396 12.908 2.452 616 1HZ LYS 105 HZ1 LYS 105 7.438 11.159 4.404 617 2HZ LYS 105 HZ2 LYS 105 7.325 12.854 4.444 618 3HZ LYS 105 HZ3 LYS 105 8.698 12.107 3.777 619 H LEU 106 HN LEU 106 3.408 7.836 -2.478 620 HA LEU 106 HA LEU 106 4.347 6.005 -3.632 621 1HB LEU 106 HB2 LEU 106 5.648 8.301 -4.281 622 2HB LEU 106 HB1 LEU 106 6.998 7.335 -3.686 623 HG LEU 106 HG LEU 106 6.105 5.454 -5.189 624 1HD1 LEU 106 HD11 LEU 106 4.269 5.822 -6.443 625 2HD1 LEU 106 HD12 LEU 106 4.936 7.330 -7.067 626 3HD1 LEU 106 HD13 LEU 106 4.037 7.325 -5.550 627 1HD2 LEU 106 HD21 LEU 106 6.886 7.112 -7.273 628 2HD2 LEU 106 HD22 LEU 106 7.976 6.201 -6.228 629 3HD2 LEU 106 HD23 LEU 106 7.602 7.884 -5.858 630 H ALA 107 HN ALA 107 7.171 5.258 -3.607 631 HA ALA 107 HA ALA 107 7.237 4.001 -0.901 632 1HB ALA 107 HB1 ALA 107 7.200 2.578 -3.040 633 2HB ALA 107 HB2 ALA 107 8.468 2.208 -1.871 634 3HB ALA 107 HB3 ALA 107 8.846 3.148 -3.314 635 H GLY 108 HN GLY 108 8.109 6.375 -0.451 636 1HA GLY 108 HA2 GLY 108 10.814 6.979 -1.246 637 2HA GLY 108 HA1 GLY 108 9.948 7.737 0.091 638 H GLY 109 HN GLY 109 12.606 7.168 0.465 639 1HA GLY 109 HA2 GLY 109 12.530 5.446 2.781 640 2HA GLY 109 HA1 GLY 109 13.355 4.653 1.438 641 H LEU 110 HN LEU 110 14.717 5.330 3.813 642 HA LEU 110 HA LEU 110 16.976 6.740 2.774 643 1HB LEU 110 HB2 LEU 110 16.841 8.778 4.204 644 2HB LEU 110 HB1 LEU 110 15.564 8.727 2.988 645 HG LEU 110 HG LEU 110 14.731 7.355 5.402 646 1HD1 LEU 110 HD11 LEU 110 16.405 9.540 5.920 647 2HD1 LEU 110 HD12 LEU 110 15.270 8.800 7.049 648 3HD1 LEU 110 HD13 LEU 110 14.771 10.184 6.077 649 1HD2 LEU 110 HD21 LEU 110 12.853 8.067 4.364 650 2HD2 LEU 110 HD22 LEU 110 13.755 9.236 3.400 651 3HD2 LEU 110 HD23 LEU 110 13.203 9.667 5.018 652 H GLU 111 HN GLU 111 17.346 4.492 3.862 653 HA GLU 111 HA GLU 111 18.032 4.970 6.736 654 1HB GLU 111 HB2 GLU 111 16.457 2.865 5.509 655 2HB GLU 111 HB1 GLU 111 17.863 2.191 6.334 656 1HG GLU 111 HG2 GLU 111 16.684 4.281 7.944 657 2HG GLU 111 HG1 GLU 111 15.461 3.083 7.519 Start of MODEL 8 1 HA LYS 29 HA LYS 29 -7.139 19.726 1.611 2 1HB LYS 29 HB2 LYS 29 -4.979 20.982 3.322 3 2HB LYS 29 HB1 LYS 29 -4.653 20.225 1.763 4 1HG LYS 29 HG2 LYS 29 -6.044 21.794 0.606 5 2HG LYS 29 HG1 LYS 29 -6.713 22.413 2.117 6 1HD LYS 29 HD2 LYS 29 -4.481 23.261 2.756 7 2HD LYS 29 HD1 LYS 29 -3.821 22.658 1.236 8 1HE LYS 29 HE2 LYS 29 -5.112 24.188 -0.053 9 2HE LYS 29 HE1 LYS 29 -6.145 24.587 1.320 10 1HZ LYS 29 HZ1 LYS 29 -4.426 25.760 2.357 11 2HZ LYS 29 HZ2 LYS 29 -4.343 26.237 0.729 12 3HZ LYS 29 HZ3 LYS 29 -3.233 25.107 1.343 13 H GLY 30 HN GLY 30 -5.258 19.197 4.620 14 1HA GLY 30 HA2 GLY 30 -4.578 16.484 3.799 15 2HA GLY 30 HA1 GLY 30 -4.198 17.219 5.358 16 H ASP 31 HN ASP 31 -6.146 14.938 3.829 17 HA ASP 31 HA ASP 31 -8.034 14.930 6.151 18 1HB ASP 31 HB2 ASP 31 -9.227 15.385 4.068 19 2HB ASP 31 HB1 ASP 31 -8.483 13.979 3.306 20 H GLY 32 HN GLY 32 -6.035 12.984 3.975 21 1HA GLY 32 HA2 GLY 32 -5.691 10.978 6.076 22 2HA GLY 32 HA1 GLY 32 -6.591 10.389 4.677 23 H VAL 33 HN VAL 33 -3.861 9.653 5.660 24 HA VAL 33 HA VAL 33 -2.417 10.211 3.104 25 HB VAL 33 HB VAL 33 -0.298 10.303 4.401 26 1HG1 VAL 33 HG11 VAL 33 -2.212 12.298 5.604 27 2HG1 VAL 33 HG12 VAL 33 -1.831 12.337 3.882 28 3HG1 VAL 33 HG13 VAL 33 -0.548 12.548 5.074 29 1HG2 VAL 33 HG21 VAL 33 -1.965 9.256 6.447 30 2HG2 VAL 33 HG22 VAL 33 -1.446 10.853 6.986 31 3HG2 VAL 33 HG23 VAL 33 -0.246 9.636 6.553 32 H VAL 34 HN VAL 34 -1.222 8.446 2.300 33 HA VAL 34 HA VAL 34 -1.704 5.867 3.736 34 HB VAL 34 HB VAL 34 -1.045 6.176 0.801 35 1HG1 VAL 34 HG11 VAL 34 -0.738 3.939 1.628 36 2HG1 VAL 34 HG12 VAL 34 -2.274 3.955 0.761 37 3HG1 VAL 34 HG13 VAL 34 -2.256 3.999 2.524 38 1HG2 VAL 34 HG21 VAL 34 -3.763 5.577 1.027 39 2HG2 VAL 34 HG22 VAL 34 -3.081 7.128 0.539 40 3HG2 VAL 34 HG23 VAL 34 -3.504 6.843 2.227 41 H ARG 35 HN ARG 35 0.062 4.217 3.385 42 HA ARG 35 HA ARG 35 2.732 5.430 2.889 43 1HB ARG 35 HB2 ARG 35 1.711 4.849 5.478 44 2HB ARG 35 HB1 ARG 35 2.926 3.623 5.115 45 1HG ARG 35 HG2 ARG 35 4.583 5.315 4.624 46 2HG ARG 35 HG1 ARG 35 3.378 6.597 4.753 47 1HD ARG 35 HD2 ARG 35 3.513 6.644 7.012 48 2HD ARG 35 HD1 ARG 35 3.491 4.884 7.131 49 HE ARG 35 HE ARG 35 6.033 5.539 6.148 50 1HH1 ARG 35 HH11 ARG 35 5.717 4.079 8.698 51 2HH1 ARG 35 HH12 ARG 35 6.334 5.202 9.864 52 1HH2 ARG 35 HH21 ARG 35 6.128 7.932 7.737 53 2HH2 ARG 35 HH22 ARG 35 6.566 7.383 9.320 54 H ILE 36 HN ILE 36 3.508 4.156 1.273 55 HA ILE 36 HA ILE 36 3.175 1.197 1.573 56 HB ILE 36 HB ILE 36 3.265 2.726 -1.044 57 1HG1 ILE 36 HG12 ILE 36 0.789 1.324 -0.299 58 2HG1 ILE 36 HG11 ILE 36 1.162 2.695 0.746 59 1HG2 ILE 36 HG21 ILE 36 2.118 0.297 -1.526 60 2HG2 ILE 36 HG22 ILE 36 3.256 -0.122 -0.245 61 3HG2 ILE 36 HG23 ILE 36 3.837 0.629 -1.731 62 1HD1 ILE 36 HD11 ILE 36 0.553 4.146 -0.862 63 2HD1 ILE 36 HD12 ILE 36 0.031 2.778 -1.845 64 3HD1 ILE 36 HD13 ILE 36 1.673 3.403 -2.004 65 H GLN 37 HN GLN 37 5.147 0.316 1.944 66 HA GLN 37 HA GLN 37 7.440 1.201 0.295 67 1HB GLN 37 HB2 GLN 37 8.876 1.263 2.399 68 2HB GLN 37 HB1 GLN 37 7.748 2.606 2.214 69 1HG GLN 37 HG2 GLN 37 6.536 1.991 4.029 70 2HG GLN 37 HG1 GLN 37 6.594 0.282 3.596 71 1HE2 GLN 37 HE21 GLN 37 8.546 -0.950 4.260 72 2HE2 GLN 37 HE22 GLN 37 9.518 -0.386 5.532 73 H ARG 38 HN ARG 38 7.579 -0.833 -0.670 74 HA ARG 38 HA ARG 38 7.228 -3.334 0.604 75 1HB ARG 38 HB2 ARG 38 8.805 -4.168 -1.254 76 2HB ARG 38 HB1 ARG 38 7.335 -3.341 -1.770 77 1HG ARG 38 HG2 ARG 38 8.471 -1.496 -2.524 78 2HG ARG 38 HG1 ARG 38 9.721 -1.631 -1.287 79 1HD ARG 38 HD2 ARG 38 10.984 -3.113 -2.524 80 2HD ARG 38 HD1 ARG 38 9.577 -3.791 -3.343 81 HE ARG 38 HE ARG 38 10.094 -1.021 -4.091 82 1HH1 ARG 38 HH21 ARG 38 12.669 -2.389 -4.683 83 2HH1 ARG 38 HH22 ARG 38 12.407 -3.008 -6.279 84 1HH2 ARG 38 HH11 ARG 38 8.960 -2.658 -6.135 85 2HH2 ARG 38 HH12 ARG 38 10.307 -3.160 -7.101 86 H GLN 39 HN GLN 39 8.430 -4.345 2.138 87 HA GLN 39 HA GLN 39 11.219 -3.365 2.581 88 1HB GLN 39 HB2 GLN 39 9.721 -3.013 4.500 89 2HB GLN 39 HB1 GLN 39 9.309 -4.728 4.504 90 1HG GLN 39 HG2 GLN 39 12.074 -4.769 4.540 91 2HG GLN 39 HG1 GLN 39 11.691 -3.383 5.562 92 1HE2 GLN 39 HE21 GLN 39 12.790 -5.794 6.667 93 2HE2 GLN 39 HE22 GLN 39 11.610 -6.514 7.652 94 H THR 40 HN THR 40 11.898 -4.881 0.843 95 HA THR 40 HA THR 40 11.484 -7.649 0.794 96 HB THR 40 HB THR 40 13.559 -7.821 -0.432 97 HG1 THR 40 HG1 THR 40 15.119 -6.266 -0.287 98 1HG2 THR 40 HG21 THR 40 13.061 -5.088 -1.296 99 2HG2 THR 40 HG22 THR 40 11.556 -5.965 -1.019 100 3HG2 THR 40 HG23 THR 40 12.754 -6.602 -2.146 101 H SER 41 HN SER 41 12.579 -9.428 1.768 102 HA SER 41 HA SER 41 13.883 -8.739 4.358 103 1HB SER 41 HB2 SER 41 12.198 -10.208 4.934 104 2HB SER 41 HB1 SER 41 12.237 -11.028 3.376 105 HG SER 41 HG SER 41 13.110 -12.270 5.139 106 H GLY 42 HN GLY 42 14.579 -9.871 1.227 107 1HA GLY 42 HA2 GLY 42 17.278 -10.735 2.162 108 2HA GLY 42 HA1 GLY 42 16.397 -11.725 0.997 109 H ARG 43 HN ARG 43 18.924 -10.550 0.422 110 HA ARG 43 HA ARG 43 18.750 -8.070 -0.975 111 1HB ARG 43 HB2 ARG 43 20.579 -10.442 -1.461 112 2HB ARG 43 HB1 ARG 43 20.816 -8.830 -2.137 113 1HG ARG 43 HG2 ARG 43 21.035 -7.874 0.088 114 2HG ARG 43 HG1 ARG 43 20.649 -9.427 0.830 115 1HD ARG 43 HD2 ARG 43 22.682 -10.412 0.058 116 2HD ARG 43 HD1 ARG 43 22.999 -9.068 -1.038 117 HE ARG 43 HE ARG 43 22.944 -7.865 1.448 118 1HH1 ARG 43 HH11 ARG 43 23.988 -10.988 1.432 119 2HH1 ARG 43 HH12 ARG 43 25.644 -10.656 1.818 120 1HH2 ARG 43 HH21 ARG 43 25.341 -7.233 1.353 121 2HH2 ARG 43 HH22 ARG 43 26.410 -8.529 1.773 122 H LYS 44 HN LYS 44 17.540 -7.639 -2.750 123 HA LYS 44 HA LYS 44 16.314 -7.979 -4.725 124 1HB LYS 44 HB2 LYS 44 18.897 -8.823 -5.165 125 2HB LYS 44 HB1 LYS 44 17.963 -10.246 -5.628 126 1HG LYS 44 HG2 LYS 44 16.597 -8.892 -7.145 127 2HG LYS 44 HG1 LYS 44 17.458 -7.435 -6.647 128 1HD LYS 44 HD2 LYS 44 19.585 -8.472 -7.463 129 2HD LYS 44 HD1 LYS 44 18.642 -9.831 -8.077 130 1HE LYS 44 HE2 LYS 44 17.342 -8.280 -9.499 131 2HE LYS 44 HE1 LYS 44 18.307 -6.931 -8.901 132 1HZ LYS 44 HZ1 LYS 44 19.834 -7.393 -10.413 133 2HZ LYS 44 HZ2 LYS 44 18.899 -8.688 -10.994 134 3HZ LYS 44 HZ3 LYS 44 20.044 -8.946 -9.766 135 H GLY 45 HN GLY 45 15.461 -10.055 -6.150 136 1HA GLY 45 HA2 GLY 45 14.484 -12.267 -6.035 137 2HA GLY 45 HA1 GLY 45 14.644 -12.214 -4.279 138 H LYS 46 HN LYS 46 12.474 -12.581 -3.762 139 HA LYS 46 HA LYS 46 10.391 -10.906 -5.012 140 1HB LYS 46 HB2 LYS 46 10.460 -13.456 -3.764 141 2HB LYS 46 HB1 LYS 46 9.430 -12.427 -2.767 142 1HG LYS 46 HG2 LYS 46 7.998 -11.910 -4.602 143 2HG LYS 46 HG1 LYS 46 9.142 -12.567 -5.773 144 1HD LYS 46 HD2 LYS 46 8.825 -14.826 -4.773 145 2HD LYS 46 HD1 LYS 46 7.612 -14.148 -3.686 146 1HE LYS 46 HE2 LYS 46 6.256 -13.448 -5.621 147 2HE LYS 46 HE1 LYS 46 7.470 -14.111 -6.716 148 1HZ LYS 46 HZ1 LYS 46 6.963 -16.165 -5.025 149 2HZ LYS 46 HZ2 LYS 46 6.297 -15.982 -6.577 150 3HZ LYS 46 HZ3 LYS 46 5.431 -15.461 -5.211 151 H GLY 47 HN GLY 47 8.885 -9.665 -3.598 152 1HA GLY 47 HA2 GLY 47 10.029 -8.838 -0.988 153 2HA GLY 47 HA1 GLY 47 9.788 -7.586 -2.208 154 H VAL 48 HN VAL 48 8.440 -7.835 0.392 155 HA VAL 48 HA VAL 48 5.643 -8.399 -0.483 156 HB VAL 48 HB VAL 48 5.114 -8.444 1.937 157 1HG1 VAL 48 HG11 VAL 48 6.410 -10.365 0.474 158 2HG1 VAL 48 HG12 VAL 48 5.778 -10.615 2.101 159 3HG1 VAL 48 HG13 VAL 48 7.479 -10.211 1.868 160 1HG2 VAL 48 HG21 VAL 48 6.990 -6.811 2.509 161 2HG2 VAL 48 HG22 VAL 48 8.099 -8.177 2.380 162 3HG2 VAL 48 HG23 VAL 48 6.825 -8.187 3.600 163 H CYS 49 HN CYS 49 3.992 -6.841 0.507 164 HA CYS 49 HA CYS 49 5.113 -4.072 0.640 165 1HB CYS 49 HB2 CYS 49 3.114 -5.213 -1.202 166 2HB CYS 49 HB1 CYS 49 2.608 -3.710 -0.430 167 HG CYS 49 HG CYS 49 4.293 -2.456 -1.757 168 H LEU 50 HN LEU 50 4.705 -3.375 2.684 169 HA LEU 50 HA LEU 50 2.372 -4.423 4.157 170 1HB LEU 50 HB2 LEU 50 4.725 -2.682 4.903 171 2HB LEU 50 HB1 LEU 50 3.358 -2.907 5.995 172 HG LEU 50 HG LEU 50 3.995 -5.488 5.102 173 1HD1 LEU 50 HD11 LEU 50 6.508 -5.247 6.120 174 2HD1 LEU 50 HD12 LEU 50 6.372 -3.725 5.240 175 3HD1 LEU 50 HD13 LEU 50 6.153 -5.256 4.392 176 1HD2 LEU 50 HD21 LEU 50 4.792 -5.745 7.476 177 2HD2 LEU 50 HD22 LEU 50 3.223 -4.952 7.341 178 3HD2 LEU 50 HD23 LEU 50 4.670 -3.995 7.655 179 H ILE 51 HN ILE 51 0.614 -3.145 4.799 180 HA ILE 51 HA ILE 51 0.549 -0.362 3.704 181 HB ILE 51 HB ILE 51 -1.919 -2.077 3.855 182 1HG1 ILE 51 HG12 ILE 51 -0.279 -3.388 2.568 183 2HG1 ILE 51 HG11 ILE 51 -1.517 -2.733 1.495 184 1HG2 ILE 51 HG21 ILE 51 -1.740 0.504 3.375 185 2HG2 ILE 51 HG22 ILE 51 -2.818 -0.490 2.396 186 3HG2 ILE 51 HG23 ILE 51 -1.237 -0.024 1.769 187 1HD1 ILE 51 HD11 ILE 51 -0.017 -1.468 0.373 188 2HD1 ILE 51 HD12 ILE 51 1.223 -2.439 1.165 189 3HD1 ILE 51 HD13 ILE 51 0.731 -0.897 1.864 190 H THR 52 HN THR 52 0.606 0.889 5.527 191 HA THR 52 HA THR 52 -1.554 0.564 7.496 192 HB THR 52 HB THR 52 -0.064 -0.833 8.653 193 HG1 THR 52 HG1 THR 52 -0.189 0.408 10.320 194 1HG2 THR 52 HG21 THR 52 2.421 -0.024 8.864 195 2HG2 THR 52 HG22 THR 52 2.038 0.928 7.430 196 3HG2 THR 52 HG23 THR 52 1.896 -0.829 7.386 197 H GLY 53 HN GLY 53 -1.795 2.488 8.820 198 1HA GLY 53 HA2 GLY 53 -0.857 4.716 9.460 199 2HA GLY 53 HA1 GLY 53 -0.208 4.821 7.823 200 H VAL 54 HN VAL 54 -2.695 3.633 6.677 201 HA VAL 54 HA VAL 54 -4.069 5.907 5.874 202 HB VAL 54 HB VAL 54 -5.394 3.236 6.427 203 1HG1 VAL 54 HG11 VAL 54 -6.668 3.991 4.319 204 2HG1 VAL 54 HG12 VAL 54 -5.996 5.591 4.632 205 3HG1 VAL 54 HG13 VAL 54 -7.049 4.828 5.823 206 1HG2 VAL 54 HG21 VAL 54 -3.446 4.141 4.346 207 2HG2 VAL 54 HG22 VAL 54 -4.762 3.083 3.835 208 3HG2 VAL 54 HG23 VAL 54 -3.637 2.551 5.086 209 H ASP 55 HN ASP 55 -4.838 7.465 7.231 210 HA ASP 55 HA ASP 55 -6.035 6.693 9.821 211 1HB ASP 55 HB2 ASP 55 -5.135 9.264 8.562 212 2HB ASP 55 HB1 ASP 55 -6.292 9.320 9.892 213 H LEU 56 HN LEU 56 -7.875 5.605 8.651 214 HA LEU 56 HA LEU 56 -9.900 7.605 7.728 215 1HB LEU 56 HB2 LEU 56 -9.097 4.972 6.722 216 2HB LEU 56 HB1 LEU 56 -10.839 5.111 6.963 217 HG LEU 56 HG LEU 56 -10.217 5.847 4.697 218 1HD1 LEU 56 HD11 LEU 56 -10.828 8.494 5.533 219 2HD1 LEU 56 HD12 LEU 56 -11.627 7.400 6.663 220 3HD1 LEU 56 HD13 LEU 56 -11.945 7.269 4.933 221 1HD2 LEU 56 HD21 LEU 56 -7.984 6.917 6.014 222 2HD2 LEU 56 HD22 LEU 56 -8.905 8.323 5.482 223 3HD2 LEU 56 HD23 LEU 56 -8.387 7.113 4.308 224 H ASP 57 HN ASP 57 -12.207 6.208 8.002 225 HA ASP 57 HA ASP 57 -12.627 6.238 10.870 226 1HB ASP 57 HB2 ASP 57 -14.272 6.638 8.770 227 2HB ASP 57 HB1 ASP 57 -14.638 4.944 9.098 228 H ASP 58 HN ASP 58 -13.371 3.584 8.585 229 HA ASP 58 HA ASP 58 -11.755 1.620 9.871 230 1HB ASP 58 HB2 ASP 58 -13.201 1.924 11.804 231 2HB ASP 58 HB1 ASP 58 -14.640 1.738 10.800 232 H ALA 59 HN ALA 59 -14.900 2.168 8.286 233 HA ALA 59 HA ALA 59 -14.829 -0.404 6.916 234 1HB ALA 59 HB1 ALA 59 -16.537 2.073 6.578 235 2HB ALA 59 HB2 ALA 59 -16.995 0.548 7.336 236 3HB ALA 59 HB3 ALA 59 -16.741 0.625 5.592 237 H GLU 60 HN GLU 60 -13.807 2.884 6.202 238 HA GLU 60 HA GLU 60 -13.509 2.663 3.385 239 1HB GLU 60 HB2 GLU 60 -12.700 4.489 5.460 240 2HB GLU 60 HB1 GLU 60 -11.341 4.205 4.372 241 1HG GLU 60 HG2 GLU 60 -14.130 4.890 3.409 242 2HG GLU 60 HG1 GLU 60 -12.865 6.094 3.664 243 H LEU 61 HN LEU 61 -11.213 1.882 6.008 244 HA LEU 61 HA LEU 61 -8.987 1.157 4.469 245 1HB LEU 61 HB2 LEU 61 -9.936 0.660 7.154 246 2HB LEU 61 HB1 LEU 61 -9.181 -0.796 6.502 247 HG LEU 61 HG LEU 61 -7.430 1.135 5.664 248 1HD1 LEU 61 HD11 LEU 61 -8.171 1.914 8.488 249 2HD1 LEU 61 HD12 LEU 61 -8.836 2.755 7.088 250 3HD1 LEU 61 HD13 LEU 61 -7.095 2.754 7.371 251 1HD2 LEU 61 HD21 LEU 61 -7.567 -0.936 7.701 252 2HD2 LEU 61 HD22 LEU 61 -6.518 0.387 8.213 253 3HD2 LEU 61 HD23 LEU 61 -6.201 -0.454 6.695 254 H THR 62 HN THR 62 -11.662 -0.999 5.492 255 HA THR 62 HA THR 62 -10.794 -3.296 4.077 256 HB THR 62 HB THR 62 -13.229 -3.950 4.115 257 HG1 THR 62 HG1 THR 62 -14.086 -1.866 3.884 258 1HG2 THR 62 HG21 THR 62 -13.130 -4.449 6.359 259 2HG2 THR 62 HG22 THR 62 -12.643 -2.815 6.808 260 3HG2 THR 62 HG23 THR 62 -11.461 -3.931 6.124 261 H LYS 63 HN LYS 63 -12.797 -0.557 3.013 262 HA LYS 63 HA LYS 63 -13.561 -1.520 0.476 263 1HB LYS 63 HB2 LYS 63 -13.786 0.884 1.825 264 2HB LYS 63 HB1 LYS 63 -12.751 1.301 0.459 265 1HG LYS 63 HG2 LYS 63 -14.448 0.063 -1.010 266 2HG LYS 63 HG1 LYS 63 -15.518 0.089 0.392 267 1HD LYS 63 HD2 LYS 63 -15.504 2.497 0.456 268 2HD LYS 63 HD1 LYS 63 -14.230 2.575 -0.761 269 1HE LYS 63 HE2 LYS 63 -15.663 2.009 -2.498 270 2HE LYS 63 HE1 LYS 63 -16.774 1.143 -1.436 271 1HZ LYS 63 HZ1 LYS 63 -17.986 3.002 -1.634 272 2HZ LYS 63 HZ2 LYS 63 -16.662 3.959 -2.098 273 3HZ LYS 63 HZ3 LYS 63 -16.935 3.620 -0.456 274 H LEU 64 HN LEU 64 -10.567 0.180 1.418 275 HA LEU 64 HA LEU 64 -9.420 0.224 -1.205 276 1HB LEU 64 HB2 LEU 64 -8.693 1.170 1.299 277 2HB LEU 64 HB1 LEU 64 -7.481 -0.070 0.973 278 HG LEU 64 HG LEU 64 -6.743 2.107 0.094 279 1HD1 LEU 64 HD11 LEU 64 -6.560 -0.248 -1.173 280 2HD1 LEU 64 HD12 LEU 64 -5.928 1.239 -1.880 281 3HD1 LEU 64 HD13 LEU 64 -7.503 0.624 -2.382 282 1HD2 LEU 64 HD21 LEU 64 -8.387 3.485 -0.632 283 2HD2 LEU 64 HD22 LEU 64 -9.511 2.145 -0.854 284 3HD2 LEU 64 HD23 LEU 64 -8.361 2.549 -2.127 285 H ALA 65 HN ALA 65 -9.068 -2.096 1.488 286 HA ALA 65 HA ALA 65 -7.190 -3.841 0.374 287 1HB ALA 65 HB1 ALA 65 -7.701 -4.942 2.267 288 2HB ALA 65 HB2 ALA 65 -9.227 -5.455 1.546 289 3HB ALA 65 HB3 ALA 65 -9.147 -3.952 2.465 290 H ALA 66 HN ALA 66 -10.708 -3.767 -0.213 291 HA ALA 66 HA ALA 66 -10.690 -6.018 -2.017 292 1HB ALA 66 HB1 ALA 66 -12.814 -5.534 -1.152 293 2HB ALA 66 HB2 ALA 66 -12.916 -4.870 -2.782 294 3HB ALA 66 HB3 ALA 66 -12.629 -3.799 -1.410 295 H GLU 67 HN GLU 67 -10.327 -2.523 -2.450 296 HA GLU 67 HA GLU 67 -10.500 -2.525 -5.314 297 1HB GLU 67 HB2 GLU 67 -9.794 -0.644 -3.208 298 2HB GLU 67 HB1 GLU 67 -8.742 -0.462 -4.613 299 1HG GLU 67 HG2 GLU 67 -10.955 -0.577 -5.988 300 2HG GLU 67 HG1 GLU 67 -11.736 -0.192 -4.454 301 H LEU 68 HN LEU 68 -8.006 -3.511 -3.119 302 HA LEU 68 HA LEU 68 -5.884 -3.346 -5.159 303 1HB LEU 68 HB2 LEU 68 -6.048 -3.911 -2.261 304 2HB LEU 68 HB1 LEU 68 -4.820 -4.833 -3.128 305 HG LEU 68 HG LEU 68 -5.122 -1.837 -3.418 306 1HD1 LEU 68 HD11 LEU 68 -3.170 -3.337 -1.648 307 2HD1 LEU 68 HD12 LEU 68 -4.612 -2.515 -1.051 308 3HD1 LEU 68 HD13 LEU 68 -3.320 -1.588 -1.813 309 1HD2 LEU 68 HD21 LEU 68 -3.925 -2.971 -5.230 310 2HD2 LEU 68 HD22 LEU 68 -2.903 -3.806 -4.060 311 3HD2 LEU 68 HD23 LEU 68 -2.780 -2.057 -4.248 312 H LYS 69 HN LYS 69 -7.708 -5.882 -3.440 313 HA LYS 69 HA LYS 69 -6.428 -8.097 -4.727 314 1HB LYS 69 HB2 LYS 69 -7.811 -8.309 -2.679 315 2HB LYS 69 HB1 LYS 69 -9.247 -7.912 -3.623 316 1HG LYS 69 HG2 LYS 69 -8.242 -9.920 -5.138 317 2HG LYS 69 HG1 LYS 69 -7.670 -10.425 -3.547 318 1HD LYS 69 HD2 LYS 69 -10.268 -9.656 -3.024 319 2HD LYS 69 HD1 LYS 69 -10.402 -10.389 -4.623 320 1HE LYS 69 HE2 LYS 69 -9.080 -12.356 -3.715 321 2HE LYS 69 HE1 LYS 69 -9.276 -11.649 -2.112 322 1HZ LYS 69 HZ1 LYS 69 -11.686 -11.906 -3.722 323 2HZ LYS 69 HZ2 LYS 69 -11.459 -12.146 -2.055 324 3HZ LYS 69 HZ3 LYS 69 -11.006 -13.354 -3.160 325 H LYS 70 HN LYS 70 -8.863 -5.865 -5.801 326 HA LYS 70 HA LYS 70 -10.128 -7.463 -7.797 327 1HB LYS 70 HB2 LYS 70 -10.145 -4.727 -6.983 328 2HB LYS 70 HB1 LYS 70 -9.900 -4.771 -8.729 329 1HG LYS 70 HG2 LYS 70 -12.110 -5.140 -8.950 330 2HG LYS 70 HG1 LYS 70 -11.852 -6.724 -8.218 331 1HD LYS 70 HD2 LYS 70 -12.282 -5.861 -6.011 332 2HD LYS 70 HD1 LYS 70 -12.292 -4.200 -6.605 333 1HE LYS 70 HE2 LYS 70 -14.317 -6.376 -7.173 334 2HE LYS 70 HE1 LYS 70 -14.589 -4.835 -6.359 335 1HZ LYS 70 HZ1 LYS 70 -13.731 -3.853 -8.570 336 2HZ LYS 70 HZ2 LYS 70 -15.333 -4.413 -8.479 337 3HZ LYS 70 HZ3 LYS 70 -14.137 -5.367 -9.218 338 H LYS 71 HN LYS 71 -6.927 -6.228 -7.634 339 HA LYS 71 HA LYS 71 -6.448 -7.202 -10.391 340 1HB LYS 71 HB2 LYS 71 -5.050 -4.666 -9.823 341 2HB LYS 71 HB1 LYS 71 -5.824 -5.215 -11.308 342 1HG LYS 71 HG2 LYS 71 -8.021 -4.627 -10.442 343 2HG LYS 71 HG1 LYS 71 -7.329 -4.219 -8.872 344 1HD LYS 71 HD2 LYS 71 -7.569 -2.128 -9.951 345 2HD LYS 71 HD1 LYS 71 -5.865 -2.531 -10.169 346 1HE LYS 71 HE2 LYS 71 -6.328 -2.064 -12.360 347 2HE LYS 71 HE1 LYS 71 -6.905 -3.731 -12.362 348 1HZ LYS 71 HZ1 LYS 71 -8.411 -1.244 -12.423 349 2HZ LYS 71 HZ2 LYS 71 -9.064 -2.489 -11.468 350 3HZ LYS 71 HZ3 LYS 71 -8.769 -2.748 -13.121 351 H CYS 72 HN CYS 72 -5.728 -7.900 -7.518 352 HA CYS 72 HA CYS 72 -2.760 -7.657 -7.715 353 1HB CYS 72 HB2 CYS 72 -4.651 -7.598 -5.517 354 2HB CYS 72 HB1 CYS 72 -3.439 -8.853 -5.265 355 HG CYS 72 HG CYS 72 -1.797 -7.080 -4.758 356 H GLY 73 HN GLY 73 -5.410 -9.916 -7.791 357 1HA GLY 73 HA2 GLY 73 -5.220 -12.119 -8.749 358 2HA GLY 73 HA1 GLY 73 -3.485 -12.079 -8.431 359 H CYS 74 HN CYS 74 -4.532 -10.905 -5.662 360 HA CYS 74 HA CYS 74 -5.883 -12.937 -4.260 361 1HB CYS 74 HB2 CYS 74 -3.101 -13.584 -4.905 362 2HB CYS 74 HB1 CYS 74 -3.426 -13.643 -3.173 363 HG CYS 74 HG CYS 74 -5.311 -15.390 -3.624 364 H GLY 75 HN GLY 75 -6.307 -12.135 -2.228 365 1HA GLY 75 HA2 GLY 75 -5.230 -9.543 -1.507 366 2HA GLY 75 HA1 GLY 75 -6.331 -10.509 -0.524 367 H GLY 76 HN GLY 76 -5.367 -12.289 0.747 368 1HA GLY 76 HA2 GLY 76 -3.188 -13.370 1.437 369 2HA GLY 76 HA1 GLY 76 -2.494 -11.748 1.396 370 H ALA 77 HN ALA 77 -2.519 -10.605 3.282 371 HA ALA 77 HA ALA 77 -4.165 -11.708 5.516 372 1HB ALA 77 HB1 ALA 77 -1.696 -9.944 5.555 373 2HB ALA 77 HB2 ALA 77 -1.763 -11.655 5.974 374 3HB ALA 77 HB3 ALA 77 -2.579 -10.467 6.989 375 H VAL 78 HN VAL 78 -5.796 -10.462 6.344 376 HA VAL 78 HA VAL 78 -5.779 -7.545 5.723 377 HB VAL 78 HB VAL 78 -8.113 -9.442 5.332 378 1HG1 VAL 78 HG11 VAL 78 -7.904 -6.424 5.290 379 2HG1 VAL 78 HG12 VAL 78 -9.001 -7.420 6.246 380 3HG1 VAL 78 HG13 VAL 78 -9.221 -7.292 4.501 381 1HG2 VAL 78 HG21 VAL 78 -7.961 -8.422 2.985 382 2HG2 VAL 78 HG22 VAL 78 -6.675 -9.546 3.427 383 3HG2 VAL 78 HG23 VAL 78 -6.379 -7.807 3.466 384 H LYS 79 HN LYS 79 -5.385 -6.949 7.869 385 HA LYS 79 HA LYS 79 -7.261 -7.999 9.935 386 1HB LYS 79 HB2 LYS 79 -4.471 -7.163 9.947 387 2HB LYS 79 HB1 LYS 79 -5.402 -6.304 11.174 388 1HG LYS 79 HG2 LYS 79 -6.019 -9.179 11.000 389 2HG LYS 79 HG1 LYS 79 -4.362 -8.828 11.493 390 1HD LYS 79 HD2 LYS 79 -6.255 -7.067 12.827 391 2HD LYS 79 HD1 LYS 79 -6.629 -8.764 13.134 392 1HE LYS 79 HE2 LYS 79 -3.799 -7.755 13.358 393 2HE LYS 79 HE1 LYS 79 -4.926 -7.578 14.704 394 1HZ LYS 79 HZ1 LYS 79 -5.089 -9.831 14.987 395 2HZ LYS 79 HZ2 LYS 79 -3.468 -9.699 14.494 396 3HZ LYS 79 HZ3 LYS 79 -4.660 -10.190 13.386 397 H ASP 80 HN ASP 80 -8.549 -6.521 11.140 398 HA ASP 80 HA ASP 80 -9.455 -4.204 9.731 399 1HB ASP 80 HB2 ASP 80 -10.806 -5.472 11.415 400 2HB ASP 80 HB1 ASP 80 -9.780 -4.805 12.686 401 H GLY 81 HN GLY 81 -7.720 -2.781 9.311 402 1HA GLY 81 HA2 GLY 81 -7.067 -0.573 10.466 403 2HA GLY 81 HA1 GLY 81 -6.385 -1.612 11.717 404 H VAL 82 HN VAL 82 -5.531 -3.587 9.598 405 HA VAL 82 HA VAL 82 -3.420 -2.034 8.202 406 HB VAL 82 HB VAL 82 -1.810 -3.934 9.006 407 1HG1 VAL 82 HG11 VAL 82 -2.065 -1.371 9.690 408 2HG1 VAL 82 HG12 VAL 82 -0.963 -2.441 10.559 409 3HG1 VAL 82 HG13 VAL 82 -2.553 -2.077 11.231 410 1HG2 VAL 82 HG21 VAL 82 -3.768 -5.172 10.084 411 2HG2 VAL 82 HG22 VAL 82 -3.775 -3.905 11.311 412 3HG2 VAL 82 HG23 VAL 82 -2.357 -4.935 11.116 413 H ILE 83 HN ILE 83 -2.394 -3.299 6.473 414 HA ILE 83 HA ILE 83 -3.749 -5.847 5.776 415 HB ILE 83 HB ILE 83 -3.569 -3.471 3.896 416 1HG1 ILE 83 HG12 ILE 83 -6.208 -4.159 4.078 417 2HG1 ILE 83 HG11 ILE 83 -5.662 -4.498 5.721 418 1HG2 ILE 83 HG21 ILE 83 -4.370 -4.850 2.213 419 2HG2 ILE 83 HG22 ILE 83 -5.130 -5.967 3.347 420 3HG2 ILE 83 HG23 ILE 83 -3.383 -6.005 3.110 421 1HD1 ILE 83 HD11 ILE 83 -6.338 -2.203 5.714 422 2HD1 ILE 83 HD12 ILE 83 -5.474 -1.884 4.210 423 3HD1 ILE 83 HD13 ILE 83 -4.574 -2.190 5.696 424 H GLU 84 HN GLU 84 -2.454 -7.196 4.461 425 HA GLU 84 HA GLU 84 0.259 -6.135 3.788 426 1HB GLU 84 HB2 GLU 84 -0.489 -8.349 5.568 427 2HB GLU 84 HB1 GLU 84 0.677 -8.814 4.329 428 1HG GLU 84 HG2 GLU 84 2.179 -7.028 4.987 429 2HG GLU 84 HG1 GLU 84 0.985 -6.386 6.116 430 H ILE 85 HN ILE 85 0.729 -6.468 1.665 431 HA ILE 85 HA ILE 85 -0.819 -8.586 0.225 432 HB ILE 85 HB ILE 85 0.402 -6.043 -0.892 433 1HG1 ILE 85 HG12 ILE 85 -1.606 -5.754 0.625 434 2HG1 ILE 85 HG11 ILE 85 -1.862 -5.209 -1.033 435 1HG2 ILE 85 HG21 ILE 85 -0.837 -6.654 -2.931 436 2HG2 ILE 85 HG22 ILE 85 -1.412 -8.126 -2.149 437 3HG2 ILE 85 HG23 ILE 85 0.305 -7.926 -2.498 438 1HD1 ILE 85 HD11 ILE 85 -3.312 -6.926 -1.523 439 2HD1 ILE 85 HD12 ILE 85 -3.602 -6.827 0.214 440 3HD1 ILE 85 HD13 ILE 85 -2.510 -8.054 -0.429 441 H GLN 86 HN GLN 86 0.365 -9.728 -1.481 442 HA GLN 86 HA GLN 86 3.311 -9.776 -0.954 443 1HB GLN 86 HB2 GLN 86 1.299 -11.893 -1.108 444 2HB GLN 86 HB1 GLN 86 2.662 -12.184 -2.189 445 1HG GLN 86 HG2 GLN 86 3.751 -11.227 0.248 446 2HG GLN 86 HG1 GLN 86 2.558 -12.454 0.673 447 1HE2 GLN 86 HE21 GLN 86 5.514 -12.732 0.839 448 2HE2 GLN 86 HE22 GLN 86 5.924 -14.024 -0.183 449 H GLY 87 HN GLY 87 3.667 -8.174 -2.625 450 1HA GLY 87 HA2 GLY 87 3.977 -9.350 -5.269 451 2HA GLY 87 HA1 GLY 87 2.724 -8.108 -5.227 452 H ASP 88 HN ASP 88 4.966 -7.681 -6.790 453 HA ASP 88 HA ASP 88 6.479 -5.644 -5.201 454 1HB ASP 88 HB2 ASP 88 7.363 -7.374 -7.524 455 2HB ASP 88 HB1 ASP 88 8.280 -5.973 -6.968 456 H LYS 89 HN LYS 89 4.068 -4.864 -6.240 457 HA LYS 89 HA LYS 89 4.730 -3.482 -8.801 458 1HB LYS 89 HB2 LYS 89 2.255 -4.556 -7.606 459 2HB LYS 89 HB1 LYS 89 2.075 -2.964 -8.345 460 1HG LYS 89 HG2 LYS 89 3.284 -3.915 -10.380 461 2HG LYS 89 HG1 LYS 89 3.073 -5.505 -9.647 462 1HD LYS 89 HD2 LYS 89 0.666 -5.265 -9.659 463 2HD LYS 89 HD1 LYS 89 0.791 -3.586 -10.185 464 1HE LYS 89 HE2 LYS 89 1.563 -4.197 -12.338 465 2HE LYS 89 HE1 LYS 89 1.959 -5.836 -11.822 466 1HZ LYS 89 HZ1 LYS 89 -0.050 -5.983 -13.010 467 2HZ LYS 89 HZ2 LYS 89 -0.727 -4.647 -12.206 468 3HZ LYS 89 HZ3 LYS 89 -0.483 -6.109 -11.375 469 H ARG 90 HN ARG 90 5.827 -2.563 -6.293 470 HA ARG 90 HA ARG 90 4.464 -0.553 -4.940 471 1HB ARG 90 HB2 ARG 90 6.834 -1.254 -4.510 472 2HB ARG 90 HB1 ARG 90 7.322 -0.323 -5.928 473 1HG ARG 90 HG2 ARG 90 6.028 1.635 -4.760 474 2HG ARG 90 HG1 ARG 90 6.240 0.663 -3.302 475 1HD ARG 90 HD2 ARG 90 8.752 0.549 -4.363 476 2HD ARG 90 HD1 ARG 90 8.246 2.158 -4.877 477 HE ARG 90 HE ARG 90 7.725 1.594 -2.050 478 1HH1 ARG 90 HH21 ARG 90 10.610 1.698 -3.664 479 2HH1 ARG 90 HH22 ARG 90 11.212 3.135 -2.907 480 1HH2 ARG 90 HH11 ARG 90 8.193 3.918 -1.392 481 2HH2 ARG 90 HH12 ARG 90 9.844 4.392 -1.621 482 H ASP 91 HN ASP 91 5.885 -0.399 -8.182 483 HA ASP 91 HA ASP 91 5.617 2.388 -8.630 484 1HB ASP 91 HB2 ASP 91 6.819 1.003 -10.215 485 2HB ASP 91 HB1 ASP 91 5.367 0.061 -10.557 486 H LEU 92 HN LEU 92 3.311 -0.226 -9.468 487 HA LEU 92 HA LEU 92 1.230 1.575 -10.291 488 1HB LEU 92 HB2 LEU 92 1.519 -1.027 -10.642 489 2HB LEU 92 HB1 LEU 92 0.606 -1.123 -9.136 490 HG LEU 92 HG LEU 92 -0.791 0.775 -10.598 491 1HD1 LEU 92 HD11 LEU 92 0.818 -0.544 -12.451 492 2HD1 LEU 92 HD12 LEU 92 -0.649 0.365 -12.816 493 3HD1 LEU 92 HD13 LEU 92 -0.730 -1.380 -12.570 494 1HD2 LEU 92 HD21 LEU 92 -1.113 -1.989 -9.685 495 2HD2 LEU 92 HD22 LEU 92 -2.072 -1.638 -11.122 496 3HD2 LEU 92 HD23 LEU 92 -2.275 -0.662 -9.667 497 H LEU 93 HN LEU 93 2.400 0.647 -7.192 498 HA LEU 93 HA LEU 93 -0.059 1.064 -5.715 499 1HB LEU 93 HB2 LEU 93 2.800 0.614 -5.083 500 2HB LEU 93 HB1 LEU 93 1.895 1.532 -3.879 501 HG LEU 93 HG LEU 93 0.690 -0.969 -5.016 502 1HD1 LEU 93 HD11 LEU 93 1.922 -1.713 -2.618 503 2HD1 LEU 93 HD12 LEU 93 3.167 -0.817 -3.489 504 3HD1 LEU 93 HD13 LEU 93 2.401 -2.219 -4.238 505 1HD2 LEU 93 HD21 LEU 93 -0.858 -0.358 -3.492 506 2HD2 LEU 93 HD22 LEU 93 0.186 0.925 -2.880 507 3HD2 LEU 93 HD23 LEU 93 0.325 -0.710 -2.233 508 H LYS 94 HN LYS 94 2.792 3.096 -6.408 509 HA LYS 94 HA LYS 94 1.851 5.384 -4.949 510 1HB LYS 94 HB2 LYS 94 4.220 5.007 -5.750 511 2HB LYS 94 HB1 LYS 94 3.664 5.400 -7.377 512 1HG LYS 94 HG2 LYS 94 2.782 7.584 -6.441 513 2HG LYS 94 HG1 LYS 94 3.625 7.197 -4.940 514 1HD LYS 94 HD2 LYS 94 5.735 7.402 -5.912 515 2HD LYS 94 HD1 LYS 94 5.126 7.092 -7.539 516 1HE LYS 94 HE2 LYS 94 3.977 9.280 -7.524 517 2HE LYS 94 HE1 LYS 94 4.604 9.594 -5.906 518 1HZ LYS 94 HZ1 LYS 94 6.759 8.844 -7.488 519 2HZ LYS 94 HZ2 LYS 94 6.432 10.380 -6.838 520 3HZ LYS 94 HZ3 LYS 94 5.874 9.975 -8.391 521 H SER 95 HN SER 95 1.308 4.227 -8.236 522 HA SER 95 HA SER 95 0.107 6.643 -9.237 523 1HB SER 95 HB2 SER 95 0.823 5.016 -10.842 524 2HB SER 95 HB1 SER 95 -0.113 3.741 -10.066 525 HG SER 95 HG SER 95 -1.158 4.596 -11.922 526 H LEU 96 HN LEU 96 -1.492 3.560 -8.334 527 HA LEU 96 HA LEU 96 -4.130 4.515 -8.317 528 1HB LEU 96 HB2 LEU 96 -4.586 2.693 -6.659 529 2HB LEU 96 HB1 LEU 96 -3.640 2.144 -8.043 530 HG LEU 96 HG LEU 96 -1.579 2.749 -6.547 531 1HD1 LEU 96 HD11 LEU 96 -2.892 1.924 -4.149 532 2HD1 LEU 96 HD12 LEU 96 -3.767 3.314 -4.792 533 3HD1 LEU 96 HD13 LEU 96 -2.041 3.438 -4.456 534 1HD2 LEU 96 HD21 LEU 96 -1.602 0.496 -6.897 535 2HD2 LEU 96 HD22 LEU 96 -3.341 0.377 -6.626 536 3HD2 LEU 96 HD23 LEU 96 -2.236 0.425 -5.252 537 H LEU 97 HN LEU 97 -1.600 4.916 -5.902 538 HA LEU 97 HA LEU 97 -3.276 5.852 -3.770 539 1HB LEU 97 HB2 LEU 97 -0.641 5.258 -3.956 540 2HB LEU 97 HB1 LEU 97 -0.556 7.018 -4.041 541 HG LEU 97 HG LEU 97 -0.421 6.314 -1.706 542 1HD1 LEU 97 HD11 LEU 97 -2.038 8.257 -2.656 543 2HD1 LEU 97 HD12 LEU 97 -1.862 7.923 -0.934 544 3HD1 LEU 97 HD13 LEU 97 -3.236 7.266 -1.823 545 1HD2 LEU 97 HD21 LEU 97 -1.467 4.363 -1.216 546 2HD2 LEU 97 HD22 LEU 97 -2.563 4.517 -2.589 547 3HD2 LEU 97 HD23 LEU 97 -2.935 5.328 -1.067 548 H GLU 98 HN GLU 98 -1.466 7.600 -6.308 549 HA GLU 98 HA GLU 98 -2.385 10.205 -5.474 550 1HB GLU 98 HB2 GLU 98 -0.369 9.702 -6.950 551 2HB GLU 98 HB1 GLU 98 -1.511 9.422 -8.265 552 1HG GLU 98 HG2 GLU 98 -2.449 11.716 -7.855 553 2HG GLU 98 HG1 GLU 98 -1.154 11.985 -6.687 554 H ALA 99 HN ALA 99 -3.914 7.622 -7.102 555 HA ALA 99 HA ALA 99 -5.731 9.192 -8.731 556 1HB ALA 99 HB1 ALA 99 -5.346 6.872 -9.316 557 2HB ALA 99 HB2 ALA 99 -7.034 7.037 -8.832 558 3HB ALA 99 HB3 ALA 99 -5.861 6.338 -7.716 559 H LYS 100 HN LYS 100 -5.506 8.556 -5.386 560 HA LYS 100 HA LYS 100 -8.409 9.063 -4.969 561 1HB LYS 100 HB2 LYS 100 -6.299 7.681 -3.474 562 2HB LYS 100 HB1 LYS 100 -7.258 8.765 -2.466 563 1HG LYS 100 HG2 LYS 100 -8.650 6.948 -2.361 564 2HG LYS 100 HG1 LYS 100 -9.244 7.608 -3.885 565 1HD LYS 100 HD2 LYS 100 -7.218 6.167 -4.865 566 2HD LYS 100 HD1 LYS 100 -7.506 5.229 -3.399 567 1HE LYS 100 HE2 LYS 100 -9.387 4.330 -4.254 568 2HE LYS 100 HE1 LYS 100 -10.009 5.919 -4.700 569 1HZ LYS 100 HZ1 LYS 100 -9.701 5.159 -6.772 570 2HZ LYS 100 HZ2 LYS 100 -8.581 3.973 -6.299 571 3HZ LYS 100 HZ3 LYS 100 -8.079 5.582 -6.513 572 H GLY 101 HN GLY 101 -5.223 10.468 -4.461 573 1HA GLY 101 HA2 GLY 101 -4.937 12.884 -4.376 574 2HA GLY 101 HA1 GLY 101 -6.567 13.018 -3.713 575 H MET 102 HN MET 102 -4.703 10.472 -2.385 576 HA MET 102 HA MET 102 -4.579 11.912 0.187 577 1HB MET 102 HB2 MET 102 -3.745 9.071 -0.478 578 2HB MET 102 HB1 MET 102 -3.978 9.747 1.135 579 1HG MET 102 HG2 MET 102 -6.369 10.333 -0.146 580 2HG MET 102 HG1 MET 102 -5.966 8.728 -0.756 581 1HE MET 102 HE1 MET 102 -5.554 6.875 0.272 582 2HE MET 102 HE2 MET 102 -7.225 6.651 0.783 583 3HE MET 102 HE3 MET 102 -5.916 6.365 1.927 584 H LYS 103 HN LYS 103 -2.563 12.053 1.407 585 HA LYS 103 HA LYS 103 -0.272 12.621 -0.352 586 1HB LYS 103 HB2 LYS 103 -1.145 13.388 2.332 587 2HB LYS 103 HB1 LYS 103 0.570 12.979 2.276 588 1HG LYS 103 HG2 LYS 103 0.773 14.495 0.263 589 2HG LYS 103 HG1 LYS 103 -0.882 15.021 0.575 590 1HD LYS 103 HD2 LYS 103 -0.248 15.798 2.807 591 2HD LYS 103 HD1 LYS 103 1.397 15.206 2.567 592 1HE LYS 103 HE2 LYS 103 1.624 16.746 0.614 593 2HE LYS 103 HE1 LYS 103 0.023 17.392 0.976 594 1HZ LYS 103 HZ1 LYS 103 1.928 18.675 1.920 595 2HZ LYS 103 HZ2 LYS 103 2.241 17.354 2.942 596 3HZ LYS 103 HZ3 LYS 103 0.766 18.190 3.056 597 H VAL 104 HN VAL 104 0.590 10.637 -1.003 598 HA VAL 104 HA VAL 104 1.042 8.494 0.943 599 HB VAL 104 HB VAL 104 0.505 8.002 -1.432 600 1HG1 VAL 104 HG11 VAL 104 2.318 10.035 -1.955 601 2HG1 VAL 104 HG12 VAL 104 1.642 8.932 -3.154 602 3HG1 VAL 104 HG13 VAL 104 3.204 8.580 -2.413 603 1HG2 VAL 104 HG21 VAL 104 2.173 6.642 0.168 604 2HG2 VAL 104 HG22 VAL 104 3.316 7.045 -1.113 605 3HG2 VAL 104 HG23 VAL 104 1.855 6.130 -1.489 606 H LYS 105 HN LYS 105 3.012 7.966 1.890 607 HA LYS 105 HA LYS 105 5.222 9.930 1.443 608 1HB LYS 105 HB2 LYS 105 3.957 9.003 3.827 609 2HB LYS 105 HB1 LYS 105 5.611 8.390 3.827 610 1HG LYS 105 HG2 LYS 105 5.358 11.193 2.948 611 2HG LYS 105 HG1 LYS 105 4.900 10.913 4.629 612 1HD LYS 105 HD2 LYS 105 7.045 9.814 5.062 613 2HD LYS 105 HD1 LYS 105 7.505 10.006 3.370 614 1HE LYS 105 HE2 LYS 105 7.197 12.511 3.692 615 2HE LYS 105 HE1 LYS 105 7.067 12.188 5.421 616 1HZ LYS 105 HZ1 LYS 105 9.356 12.742 4.455 617 2HZ LYS 105 HZ2 LYS 105 9.343 11.153 3.855 618 3HZ LYS 105 HZ3 LYS 105 9.239 11.433 5.527 619 H LEU 106 HN LEU 106 5.848 8.518 -0.422 620 HA LEU 106 HA LEU 106 6.526 5.824 -0.347 621 1HB LEU 106 HB2 LEU 106 7.411 8.164 -1.876 622 2HB LEU 106 HB1 LEU 106 8.661 6.927 -1.730 623 HG LEU 106 HG LEU 106 6.778 5.257 -2.371 624 1HD1 LEU 106 HD11 LEU 106 4.951 6.193 -3.666 625 2HD1 LEU 106 HD12 LEU 106 5.611 7.820 -3.496 626 3HD1 LEU 106 HD13 LEU 106 4.967 6.979 -2.087 627 1HD2 LEU 106 HD21 LEU 106 7.804 7.273 -4.397 628 2HD2 LEU 106 HD22 LEU 106 7.208 5.655 -4.769 629 3HD2 LEU 106 HD23 LEU 106 8.687 5.856 -3.829 630 H ALA 107 HN ALA 107 7.367 5.096 1.627 631 HA ALA 107 HA ALA 107 9.787 6.396 2.717 632 1HB ALA 107 HB1 ALA 107 7.642 4.989 3.851 633 2HB ALA 107 HB2 ALA 107 9.099 5.531 4.684 634 3HB ALA 107 HB3 ALA 107 9.023 3.904 4.006 635 H GLY 108 HN GLY 108 11.471 5.875 1.302 636 1HA GLY 108 HA2 GLY 108 12.716 3.323 1.576 637 2HA GLY 108 HA1 GLY 108 11.868 3.369 0.029 638 H GLY 109 HN GLY 109 14.684 3.179 0.183 639 1HA GLY 109 HA2 GLY 109 15.410 5.551 -1.381 640 2HA GLY 109 HA1 GLY 109 16.296 5.385 0.136 641 H LEU 110 HN LEU 110 17.747 5.285 -2.188 642 HA LEU 110 HA LEU 110 18.085 2.505 -3.055 643 1HB LEU 110 HB2 LEU 110 18.671 4.962 -4.181 644 2HB LEU 110 HB1 LEU 110 20.259 4.374 -3.689 645 HG LEU 110 HG LEU 110 19.665 3.636 -5.987 646 1HD1 LEU 110 HD11 LEU 110 19.771 1.435 -3.901 647 2HD1 LEU 110 HD12 LEU 110 21.159 2.243 -4.630 648 3HD1 LEU 110 HD13 LEU 110 20.117 1.219 -5.617 649 1HD2 LEU 110 HD21 LEU 110 17.779 2.310 -6.439 650 2HD2 LEU 110 HD22 LEU 110 17.152 3.475 -5.273 651 3HD2 LEU 110 HD23 LEU 110 17.581 1.847 -4.749 652 H GLU 111 HN GLU 111 18.810 1.262 -1.323 653 HA GLU 111 HA GLU 111 21.348 2.168 -0.022 654 1HB GLU 111 HB2 GLU 111 18.892 0.926 1.031 655 2HB GLU 111 HB1 GLU 111 20.379 0.157 1.586 656 1HG GLU 111 HG2 GLU 111 21.113 2.717 1.904 657 2HG GLU 111 HG1 GLU 111 19.370 2.916 2.091 Start of MODEL 9 1 HA LYS 29 HA LYS 29 -6.618 16.289 -3.435 2 1HB LYS 29 HB2 LYS 29 -8.915 17.321 -1.746 3 2HB LYS 29 HB1 LYS 29 -8.524 17.782 -3.404 4 1HG LYS 29 HG2 LYS 29 -8.880 15.386 -4.082 5 2HG LYS 29 HG1 LYS 29 -9.448 15.060 -2.444 6 1HD LYS 29 HD2 LYS 29 -10.926 17.274 -3.104 7 2HD LYS 29 HD1 LYS 29 -10.806 16.452 -4.660 8 1HE LYS 29 HE2 LYS 29 -11.837 14.493 -3.840 9 2HE LYS 29 HE1 LYS 29 -11.549 14.941 -2.159 10 1HZ LYS 29 HZ1 LYS 29 -13.273 16.411 -2.152 11 2HZ LYS 29 HZ2 LYS 29 -13.882 15.272 -3.256 12 3HZ LYS 29 HZ3 LYS 29 -13.186 16.716 -3.818 13 H GLY 30 HN GLY 30 -6.966 17.070 0.010 14 1HA GLY 30 HA2 GLY 30 -5.396 19.557 -0.402 15 2HA GLY 30 HA1 GLY 30 -6.235 19.108 1.085 16 H ASP 31 HN ASP 31 -5.330 16.861 1.966 17 HA ASP 31 HA ASP 31 -2.356 16.864 1.699 18 1HB ASP 31 HB2 ASP 31 -3.365 18.038 3.818 19 2HB ASP 31 HB1 ASP 31 -3.666 16.388 4.364 20 H GLY 32 HN GLY 32 -2.625 14.957 0.373 21 1HA GLY 32 HA2 GLY 32 -3.159 12.522 2.004 22 2HA GLY 32 HA1 GLY 32 -3.947 12.690 0.434 23 H VAL 33 HN VAL 33 -1.416 11.199 1.850 24 HA VAL 33 HA VAL 33 0.012 10.977 -0.736 25 HB VAL 33 HB VAL 33 1.335 11.775 1.874 26 1HG1 VAL 33 HG11 VAL 33 3.036 10.474 1.107 27 2HG1 VAL 33 HG12 VAL 33 3.292 11.782 -0.049 28 3HG1 VAL 33 HG13 VAL 33 2.346 10.367 -0.513 29 1HG2 VAL 33 HG21 VAL 33 2.166 13.664 0.432 30 2HG2 VAL 33 HG22 VAL 33 0.417 13.669 0.662 31 3HG2 VAL 33 HG23 VAL 33 1.106 13.084 -0.853 32 H VAL 34 HN VAL 34 -0.358 8.800 -0.999 33 HA VAL 34 HA VAL 34 -0.039 6.988 1.322 34 HB VAL 34 HB VAL 34 -0.785 6.297 -1.533 35 1HG1 VAL 34 HG11 VAL 34 -0.347 4.789 0.911 36 2HG1 VAL 34 HG12 VAL 34 -0.633 4.197 -0.726 37 3HG1 VAL 34 HG13 VAL 34 -1.997 4.577 0.325 38 1HG2 VAL 34 HG21 VAL 34 -2.542 7.707 -0.948 39 2HG2 VAL 34 HG22 VAL 34 -2.384 7.357 0.773 40 3HG2 VAL 34 HG23 VAL 34 -3.129 6.175 -0.302 41 H ARG 35 HN ARG 35 1.488 5.243 1.292 42 HA ARG 35 HA ARG 35 3.705 5.605 -0.687 43 1HB ARG 35 HB2 ARG 35 3.871 6.036 2.033 44 2HB ARG 35 HB1 ARG 35 4.430 4.369 1.881 45 1HG ARG 35 HG2 ARG 35 6.255 4.953 0.573 46 2HG ARG 35 HG1 ARG 35 5.477 6.411 -0.044 47 1HD ARG 35 HD2 ARG 35 5.609 7.281 2.385 48 2HD ARG 35 HD1 ARG 35 6.762 5.973 2.651 49 HE ARG 35 HE ARG 35 7.334 7.728 0.353 50 1HH1 ARG 35 HH11 ARG 35 8.729 5.985 2.775 51 2HH1 ARG 35 HH12 ARG 35 9.855 7.200 3.282 52 1HH2 ARG 35 HH21 ARG 35 8.407 9.711 1.379 53 2HH2 ARG 35 HH22 ARG 35 9.673 9.309 2.492 54 H ILE 36 HN ILE 36 3.642 3.871 -2.037 55 HA ILE 36 HA ILE 36 3.146 1.186 -0.812 56 HB ILE 36 HB ILE 36 2.496 1.888 -3.677 57 1HG1 ILE 36 HG12 ILE 36 0.074 1.775 -2.378 58 2HG1 ILE 36 HG11 ILE 36 1.075 2.623 -1.199 59 1HG2 ILE 36 HG21 ILE 36 0.749 -0.030 -2.844 60 2HG2 ILE 36 HG22 ILE 36 2.151 -0.412 -1.844 61 3HG2 ILE 36 HG23 ILE 36 2.302 -0.385 -3.601 62 1HD1 ILE 36 HD11 ILE 36 0.515 3.405 -4.065 63 2HD1 ILE 36 HD12 ILE 36 1.840 4.111 -3.139 64 3HD1 ILE 36 HD13 ILE 36 0.174 4.328 -2.601 65 H GLN 37 HN GLN 37 5.045 0.086 -0.831 66 HA GLN 37 HA GLN 37 6.596 -0.029 -3.341 67 1HB GLN 37 HB2 GLN 37 8.719 0.516 -2.213 68 2HB GLN 37 HB1 GLN 37 7.594 1.871 -2.109 69 1HG GLN 37 HG2 GLN 37 7.043 1.367 0.160 70 2HG GLN 37 HG1 GLN 37 7.831 -0.209 0.072 71 1HE2 GLN 37 HE21 GLN 37 10.316 0.190 -0.853 72 2HE2 GLN 37 HE22 GLN 37 11.167 1.353 0.045 73 H ARG 38 HN ARG 38 8.839 -1.362 -2.254 74 HA ARG 38 HA ARG 38 7.568 -3.774 -1.021 75 1HB ARG 38 HB2 ARG 38 9.517 -3.528 -3.301 76 2HB ARG 38 HB1 ARG 38 9.496 -4.987 -2.310 77 1HG ARG 38 HG2 ARG 38 7.153 -5.366 -2.814 78 2HG ARG 38 HG1 ARG 38 7.047 -3.824 -3.664 79 1HD ARG 38 HD2 ARG 38 8.535 -6.316 -4.489 80 2HD ARG 38 HD1 ARG 38 7.314 -5.420 -5.392 81 HE ARG 38 HE ARG 38 9.229 -3.542 -5.237 82 1HH1 ARG 38 HH21 ARG 38 10.525 -6.511 -4.696 83 2HH1 ARG 38 HH22 ARG 38 11.477 -6.593 -6.141 84 1HH2 ARG 38 HH11 ARG 38 9.993 -3.817 -7.594 85 2HH2 ARG 38 HH12 ARG 38 11.175 -5.068 -7.782 86 H GLN 39 HN GLN 39 8.684 -4.681 0.699 87 HA GLN 39 HA GLN 39 11.239 -3.323 1.462 88 1HB GLN 39 HB2 GLN 39 9.138 -3.024 2.941 89 2HB GLN 39 HB1 GLN 39 9.383 -4.710 3.397 90 1HG GLN 39 HG2 GLN 39 11.885 -3.861 3.773 91 2HG GLN 39 HG1 GLN 39 11.063 -2.318 4.009 92 1HE2 GLN 39 HE21 GLN 39 10.719 -1.997 6.209 93 2HE2 GLN 39 HE22 GLN 39 10.233 -3.197 7.306 94 H THR 40 HN THR 40 11.803 -5.271 -0.178 95 HA THR 40 HA THR 40 11.773 -7.952 0.777 96 HB THR 40 HB THR 40 13.892 -8.123 -0.737 97 HG1 THR 40 HG1 THR 40 14.402 -6.361 -1.840 98 1HG2 THR 40 HG21 THR 40 11.060 -7.616 -1.391 99 2HG2 THR 40 HG22 THR 40 12.114 -8.936 -1.896 100 3HG2 THR 40 HG23 THR 40 12.178 -7.387 -2.736 101 H SER 41 HN SER 41 13.223 -9.104 2.072 102 HA SER 41 HA SER 41 15.265 -7.441 3.491 103 1HB SER 41 HB2 SER 41 13.550 -9.746 4.423 104 2HB SER 41 HB1 SER 41 14.999 -9.257 5.297 105 HG SER 41 HG SER 41 13.061 -8.220 6.034 106 H GLY 42 HN GLY 42 14.755 -10.964 3.189 107 1HA GLY 42 HA2 GLY 42 16.551 -11.842 1.393 108 2HA GLY 42 HA1 GLY 42 17.646 -11.275 2.655 109 H ARG 43 HN ARG 43 14.876 -13.457 2.124 110 HA ARG 43 HA ARG 43 16.077 -15.656 3.468 111 1HB ARG 43 HB2 ARG 43 15.046 -13.677 5.243 112 2HB ARG 43 HB1 ARG 43 13.971 -15.074 5.322 113 1HG ARG 43 HG2 ARG 43 15.926 -16.548 5.693 114 2HG ARG 43 HG1 ARG 43 16.985 -15.137 5.653 115 1HD ARG 43 HD2 ARG 43 15.754 -14.178 7.582 116 2HD ARG 43 HD1 ARG 43 14.746 -15.624 7.640 117 HE ARG 43 HE ARG 43 17.454 -16.463 7.764 118 1HH1 ARG 43 HH21 ARG 43 15.561 -14.204 9.506 119 2HH1 ARG 43 HH22 ARG 43 16.053 -14.776 11.065 120 1HH2 ARG 43 HH11 ARG 43 17.919 -17.412 9.803 121 2HH2 ARG 43 HH12 ARG 43 17.388 -16.592 11.233 122 H LYS 44 HN LYS 44 12.821 -14.151 3.367 123 HA LYS 44 HA LYS 44 11.415 -16.588 2.930 124 1HB LYS 44 HB2 LYS 44 10.788 -13.698 2.336 125 2HB LYS 44 HB1 LYS 44 9.673 -14.982 1.867 126 1HG LYS 44 HG2 LYS 44 9.576 -15.768 4.197 127 2HG LYS 44 HG1 LYS 44 10.709 -14.505 4.677 128 1HD LYS 44 HD2 LYS 44 9.120 -12.776 3.974 129 2HD LYS 44 HD1 LYS 44 7.992 -14.015 3.422 130 1HE LYS 44 HE2 LYS 44 7.765 -14.875 5.697 131 2HE LYS 44 HE1 LYS 44 8.970 -13.725 6.278 132 1HZ LYS 44 HZ1 LYS 44 6.287 -13.304 6.177 133 2HZ LYS 44 HZ2 LYS 44 6.856 -12.471 4.809 134 3HZ LYS 44 HZ3 LYS 44 7.472 -12.103 6.349 135 H GLY 45 HN GLY 45 12.295 -14.076 0.524 136 1HA GLY 45 HA2 GLY 45 13.447 -14.929 -1.553 137 2HA GLY 45 HA1 GLY 45 12.278 -16.250 -1.533 138 H LYS 46 HN LYS 46 9.885 -15.119 -1.170 139 HA LYS 46 HA LYS 46 9.363 -13.807 -3.686 140 1HB LYS 46 HB2 LYS 46 7.826 -14.917 -1.491 141 2HB LYS 46 HB1 LYS 46 7.152 -13.369 -2.004 142 1HG LYS 46 HG2 LYS 46 7.154 -14.168 -4.355 143 2HG LYS 46 HG1 LYS 46 7.762 -15.731 -3.806 144 1HD LYS 46 HD2 LYS 46 5.762 -16.101 -2.476 145 2HD LYS 46 HD1 LYS 46 5.170 -14.482 -2.851 146 1HE LYS 46 HE2 LYS 46 5.170 -15.118 -5.283 147 2HE LYS 46 HE1 LYS 46 5.571 -16.767 -4.801 148 1HZ LYS 46 HZ1 LYS 46 3.483 -16.212 -3.211 149 2HZ LYS 46 HZ2 LYS 46 3.365 -17.014 -4.703 150 3HZ LYS 46 HZ3 LYS 46 3.064 -15.345 -4.607 151 H GLY 47 HN GLY 47 7.711 -11.732 -3.328 152 1HA GLY 47 HA2 GLY 47 9.408 -9.737 -1.888 153 2HA GLY 47 HA1 GLY 47 8.405 -9.362 -3.291 154 H VAL 48 HN VAL 48 8.356 -8.178 -0.554 155 HA VAL 48 HA VAL 48 5.528 -8.869 0.141 156 HB VAL 48 HB VAL 48 6.177 -7.920 2.439 157 1HG1 VAL 48 HG11 VAL 48 6.035 -10.420 1.605 158 2HG1 VAL 48 HG12 VAL 48 6.731 -10.057 3.184 159 3HG1 VAL 48 HG13 VAL 48 7.786 -10.374 1.807 160 1HG2 VAL 48 HG21 VAL 48 8.972 -8.540 1.452 161 2HG2 VAL 48 HG22 VAL 48 8.507 -7.813 2.990 162 3HG2 VAL 48 HG23 VAL 48 8.320 -6.902 1.491 163 H CYS 49 HN CYS 49 4.110 -7.120 0.489 164 HA CYS 49 HA CYS 49 5.185 -4.466 -0.373 165 1HB CYS 49 HB2 CYS 49 3.269 -5.794 -1.651 166 2HB CYS 49 HB1 CYS 49 2.255 -5.083 -0.395 167 HG CYS 49 HG CYS 49 3.003 -3.582 -2.752 168 H LEU 50 HN LEU 50 4.815 -2.690 0.948 169 HA LEU 50 HA LEU 50 3.199 -3.161 3.419 170 1HB LEU 50 HB2 LEU 50 5.939 -1.890 3.182 171 2HB LEU 50 HB1 LEU 50 4.919 -1.728 4.612 172 HG LEU 50 HG LEU 50 4.864 -4.454 4.103 173 1HD1 LEU 50 HD11 LEU 50 6.995 -3.521 2.615 174 2HD1 LEU 50 HD12 LEU 50 6.827 -5.168 3.222 175 3HD1 LEU 50 HD13 LEU 50 7.764 -3.984 4.134 176 1HD2 LEU 50 HD21 LEU 50 6.942 -3.215 5.896 177 2HD2 LEU 50 HD22 LEU 50 5.916 -4.617 6.197 178 3HD2 LEU 50 HD23 LEU 50 5.228 -2.994 6.246 179 H ILE 51 HN ILE 51 1.574 -1.693 3.478 180 HA ILE 51 HA ILE 51 1.921 0.862 1.987 181 HB ILE 51 HB ILE 51 -0.679 0.003 3.215 182 1HG1 ILE 51 HG12 ILE 51 0.043 -2.037 2.142 183 2HG1 ILE 51 HG11 ILE 51 -1.120 -1.263 1.066 184 1HG2 ILE 51 HG21 ILE 51 0.316 1.789 1.068 185 2HG2 ILE 51 HG22 ILE 51 -1.084 1.971 2.125 186 3HG2 ILE 51 HG23 ILE 51 -1.179 0.926 0.707 187 1HD1 ILE 51 HD11 ILE 51 1.440 -0.198 0.435 188 2HD1 ILE 51 HD12 ILE 51 0.428 -1.241 -0.564 189 3HD1 ILE 51 HD13 ILE 51 1.614 -1.950 0.532 190 H THR 52 HN THR 52 2.313 2.685 3.142 191 HA THR 52 HA THR 52 1.082 3.103 5.764 192 HB THR 52 HB THR 52 2.921 1.887 6.626 193 HG1 THR 52 HG1 THR 52 4.369 3.654 7.352 194 1HG2 THR 52 HG21 THR 52 5.262 2.322 5.821 195 2HG2 THR 52 HG22 THR 52 4.582 3.347 4.557 196 3HG2 THR 52 HG23 THR 52 4.206 1.625 4.592 197 H GLY 53 HN GLY 53 1.491 5.329 6.538 198 1HA GLY 53 HA2 GLY 53 2.455 7.552 6.143 199 2HA GLY 53 HA1 GLY 53 2.607 7.130 4.436 200 H VAL 54 HN VAL 54 -0.109 5.899 4.407 201 HA VAL 54 HA VAL 54 -1.642 7.967 3.375 202 HB VAL 54 HB VAL 54 -2.678 5.626 5.005 203 1HG1 VAL 54 HG11 VAL 54 -4.380 7.364 4.632 204 2HG1 VAL 54 HG12 VAL 54 -4.729 5.938 3.654 205 3HG1 VAL 54 HG13 VAL 54 -4.011 7.366 2.907 206 1HG2 VAL 54 HG21 VAL 54 -2.772 5.566 2.056 207 2HG2 VAL 54 HG22 VAL 54 -2.314 4.297 3.192 208 3HG2 VAL 54 HG23 VAL 54 -1.142 5.531 2.729 209 H ASP 55 HN ASP 55 -2.239 9.866 4.289 210 HA ASP 55 HA ASP 55 -2.758 9.900 7.234 211 1HB ASP 55 HB2 ASP 55 -1.639 11.937 5.327 212 2HB ASP 55 HB1 ASP 55 -2.441 12.471 6.805 213 H LEU 56 HN LEU 56 -4.961 9.052 6.488 214 HA LEU 56 HA LEU 56 -6.696 11.381 5.768 215 1HB LEU 56 HB2 LEU 56 -6.789 8.523 4.808 216 2HB LEU 56 HB1 LEU 56 -8.235 9.533 4.791 217 HG LEU 56 HG LEU 56 -5.813 10.810 3.679 218 1HD1 LEU 56 HD11 LEU 56 -5.274 9.221 2.182 219 2HD1 LEU 56 HD12 LEU 56 -6.927 9.242 1.568 220 3HD1 LEU 56 HD13 LEU 56 -6.487 8.147 2.879 221 1HD2 LEU 56 HD21 LEU 56 -7.501 12.115 2.949 222 2HD2 LEU 56 HD22 LEU 56 -8.697 10.940 3.498 223 3HD2 LEU 56 HD23 LEU 56 -7.997 10.799 1.885 224 H ASP 57 HN ASP 57 -9.158 10.315 6.262 225 HA ASP 57 HA ASP 57 -9.414 10.443 9.074 226 1HB ASP 57 HB2 ASP 57 -11.166 9.574 6.825 227 2HB ASP 57 HB1 ASP 57 -11.637 9.067 8.448 228 H ASP 58 HN ASP 58 -9.670 8.814 10.670 229 HA ASP 58 HA ASP 58 -8.054 6.485 10.383 230 1HB ASP 58 HB2 ASP 58 -9.591 7.737 12.451 231 2HB ASP 58 HB1 ASP 58 -10.001 6.022 12.415 232 H ALA 59 HN ALA 59 -11.507 7.025 9.893 233 HA ALA 59 HA ALA 59 -12.120 4.190 9.601 234 1HB ALA 59 HB1 ALA 59 -14.278 4.887 9.565 235 2HB ALA 59 HB2 ALA 59 -13.958 6.086 8.312 236 3HB ALA 59 HB3 ALA 59 -13.629 6.467 10.002 237 H GLU 60 HN GLU 60 -11.135 6.809 7.487 238 HA GLU 60 HA GLU 60 -11.852 5.526 5.005 239 1HB GLU 60 HB2 GLU 60 -11.123 8.019 5.551 240 2HB GLU 60 HB1 GLU 60 -9.516 7.394 5.181 241 1HG GLU 60 HG2 GLU 60 -10.049 6.940 2.966 242 2HG GLU 60 HG1 GLU 60 -11.771 6.769 3.308 243 H LEU 61 HN LEU 61 -9.070 5.335 7.146 244 HA LEU 61 HA LEU 61 -7.284 4.047 5.301 245 1HB LEU 61 HB2 LEU 61 -7.457 4.227 8.300 246 2HB LEU 61 HB1 LEU 61 -6.286 3.143 7.547 247 HG LEU 61 HG LEU 61 -6.382 5.854 6.379 248 1HD1 LEU 61 HD11 LEU 61 -5.913 7.078 8.220 249 2HD1 LEU 61 HD12 LEU 61 -4.764 5.876 8.807 250 3HD1 LEU 61 HD13 LEU 61 -6.482 5.701 9.164 251 1HD2 LEU 61 HD21 LEU 61 -4.450 3.689 7.002 252 2HD2 LEU 61 HD22 LEU 61 -3.804 5.329 7.071 253 3HD2 LEU 61 HD23 LEU 61 -4.549 4.736 5.586 254 H THR 62 HN THR 62 -9.220 2.624 7.968 255 HA THR 62 HA THR 62 -8.758 -0.083 7.262 256 HB THR 62 HB THR 62 -11.195 -0.290 8.346 257 HG1 THR 62 HG1 THR 62 -11.828 1.759 8.456 258 1HG2 THR 62 HG21 THR 62 -9.639 0.540 10.533 259 2HG2 THR 62 HG22 THR 62 -8.486 -0.064 9.344 260 3HG2 THR 62 HG23 THR 62 -9.796 -1.101 9.908 261 H LYS 63 HN LYS 63 -10.695 2.328 5.735 262 HA LYS 63 HA LYS 63 -12.507 0.483 4.395 263 1HB LYS 63 HB2 LYS 63 -12.189 3.331 4.626 264 2HB LYS 63 HB1 LYS 63 -12.290 2.901 2.918 265 1HG LYS 63 HG2 LYS 63 -14.300 1.438 3.577 266 2HG LYS 63 HG1 LYS 63 -14.283 2.312 5.110 267 1HD LYS 63 HD2 LYS 63 -14.499 4.450 3.907 268 2HD LYS 63 HD1 LYS 63 -14.497 3.589 2.367 269 1HE LYS 63 HE2 LYS 63 -16.492 2.251 3.404 270 2HE LYS 63 HE1 LYS 63 -16.610 3.622 4.507 271 1HZ LYS 63 HZ1 LYS 63 -16.974 3.555 1.587 272 2HZ LYS 63 HZ2 LYS 63 -16.500 4.998 2.347 273 3HZ LYS 63 HZ3 LYS 63 -17.965 4.252 2.774 274 H LEU 64 HN LEU 64 -9.553 2.253 3.458 275 HA LEU 64 HA LEU 64 -9.517 1.185 0.770 276 1HB LEU 64 HB2 LEU 64 -7.994 3.051 2.296 277 2HB LEU 64 HB1 LEU 64 -6.873 1.849 1.655 278 HG LEU 64 HG LEU 64 -7.177 3.692 0.050 279 1HD1 LEU 64 HD11 LEU 64 -7.065 1.120 -0.568 280 2HD1 LEU 64 HD12 LEU 64 -7.368 2.324 -1.821 281 3HD1 LEU 64 HD13 LEU 64 -8.709 1.405 -1.139 282 1HD2 LEU 64 HD21 LEU 64 -9.205 4.649 -0.177 283 2HD2 LEU 64 HD22 LEU 64 -9.905 3.428 0.885 284 3HD2 LEU 64 HD23 LEU 64 -9.832 3.145 -0.854 285 H ALA 65 HN ALA 65 -8.319 0.080 3.875 286 HA ALA 65 HA ALA 65 -6.537 -1.938 2.802 287 1HB ALA 65 HB1 ALA 65 -7.850 -2.199 5.490 288 2HB ALA 65 HB2 ALA 65 -6.686 -0.903 5.221 289 3HB ALA 65 HB3 ALA 65 -6.196 -2.585 5.017 290 H ALA 66 HN ALA 66 -9.807 -2.118 4.255 291 HA ALA 66 HA ALA 66 -10.218 -4.885 3.768 292 1HB ALA 66 HB1 ALA 66 -12.265 -2.645 3.811 293 2HB ALA 66 HB2 ALA 66 -11.695 -3.544 5.217 294 3HB ALA 66 HB3 ALA 66 -12.627 -4.364 3.965 295 H GLU 67 HN GLU 67 -11.126 -2.061 1.763 296 HA GLU 67 HA GLU 67 -12.327 -3.460 -0.368 297 1HB GLU 67 HB2 GLU 67 -11.238 -0.813 0.075 298 2HB GLU 67 HB1 GLU 67 -10.839 -1.377 -1.548 299 1HG GLU 67 HG2 GLU 67 -13.366 -2.134 -1.582 300 2HG GLU 67 HG1 GLU 67 -13.534 -0.921 -0.312 301 H LEU 68 HN LEU 68 -8.882 -2.650 0.113 302 HA LEU 68 HA LEU 68 -7.916 -3.815 -2.295 303 1HB LEU 68 HB2 LEU 68 -6.756 -2.477 -0.228 304 2HB LEU 68 HB1 LEU 68 -6.212 -4.121 0.109 305 HG LEU 68 HG LEU 68 -5.718 -4.103 -2.512 306 1HD1 LEU 68 HD11 LEU 68 -4.655 -1.641 -2.744 307 2HD1 LEU 68 HD12 LEU 68 -6.028 -1.251 -1.709 308 3HD1 LEU 68 HD13 LEU 68 -6.294 -2.013 -3.277 309 1HD2 LEU 68 HD21 LEU 68 -3.699 -2.554 -0.982 310 2HD2 LEU 68 HD22 LEU 68 -3.518 -4.064 -1.877 311 3HD2 LEU 68 HD23 LEU 68 -4.208 -4.077 -0.254 312 H LYS 69 HN LYS 69 -8.659 -5.232 0.860 313 HA LYS 69 HA LYS 69 -7.529 -7.811 0.400 314 1HB LYS 69 HB2 LYS 69 -8.257 -7.148 2.628 315 2HB LYS 69 HB1 LYS 69 -9.922 -6.979 2.070 316 1HG LYS 69 HG2 LYS 69 -8.782 -9.602 1.442 317 2HG LYS 69 HG1 LYS 69 -8.824 -9.272 3.175 318 1HD LYS 69 HD2 LYS 69 -11.247 -8.522 2.823 319 2HD LYS 69 HD1 LYS 69 -11.133 -9.260 1.225 320 1HE LYS 69 HE2 LYS 69 -10.856 -11.420 2.100 321 2HE LYS 69 HE1 LYS 69 -10.342 -10.818 3.676 322 1HZ LYS 69 HZ1 LYS 69 -13.055 -10.930 2.532 323 2HZ LYS 69 HZ2 LYS 69 -12.687 -9.812 3.757 324 3HZ LYS 69 HZ3 LYS 69 -12.510 -11.478 4.042 325 H LYS 70 HN LYS 70 -10.686 -6.425 -0.437 326 HA LYS 70 HA LYS 70 -11.963 -8.803 -1.320 327 1HB LYS 70 HB2 LYS 70 -12.246 -5.888 -1.939 328 2HB LYS 70 HB1 LYS 70 -13.044 -7.040 -3.010 329 1HG LYS 70 HG2 LYS 70 -13.878 -8.116 -0.754 330 2HG LYS 70 HG1 LYS 70 -13.531 -6.517 -0.094 331 1HD LYS 70 HD2 LYS 70 -14.957 -5.507 -1.870 332 2HD LYS 70 HD1 LYS 70 -15.360 -7.128 -2.435 333 1HE LYS 70 HE2 LYS 70 -16.934 -7.345 -0.843 334 2HE LYS 70 HE1 LYS 70 -15.764 -6.959 0.418 335 1HZ LYS 70 HZ1 LYS 70 -17.766 -5.415 0.081 336 2HZ LYS 70 HZ2 LYS 70 -16.912 -4.829 -1.266 337 3HZ LYS 70 HZ3 LYS 70 -16.235 -4.715 0.289 338 H LYS 71 HN LYS 71 -9.434 -6.881 -2.734 339 HA LYS 71 HA LYS 71 -9.485 -8.658 -5.142 340 1HB LYS 71 HB2 LYS 71 -8.808 -5.727 -4.864 341 2HB LYS 71 HB1 LYS 71 -8.236 -6.678 -6.234 342 1HG LYS 71 HG2 LYS 71 -10.816 -7.406 -6.296 343 2HG LYS 71 HG1 LYS 71 -11.008 -5.820 -5.547 344 1HD LYS 71 HD2 LYS 71 -9.175 -5.940 -7.880 345 2HD LYS 71 HD1 LYS 71 -10.889 -6.175 -8.228 346 1HE LYS 71 HE2 LYS 71 -11.047 -3.918 -8.200 347 2HE LYS 71 HE1 LYS 71 -10.903 -4.053 -6.447 348 1HZ LYS 71 HZ1 LYS 71 -9.278 -2.517 -7.493 349 2HZ LYS 71 HZ2 LYS 71 -8.581 -3.848 -8.284 350 3HZ LYS 71 HZ3 LYS 71 -8.561 -3.758 -6.587 351 H CYS 72 HN CYS 72 -8.155 -9.583 -2.935 352 HA CYS 72 HA CYS 72 -5.303 -9.180 -3.721 353 1HB CYS 72 HB2 CYS 72 -5.906 -7.956 -1.578 354 2HB CYS 72 HB1 CYS 72 -6.228 -9.534 -0.859 355 HG CYS 72 HG CYS 72 -3.429 -8.460 -1.650 356 H GLY 73 HN GLY 73 -7.213 -11.221 -1.473 357 1HA GLY 73 HA2 GLY 73 -7.562 -13.621 -2.184 358 2HA GLY 73 HA1 GLY 73 -5.884 -13.592 -2.727 359 H CYS 74 HN CYS 74 -6.291 -11.769 0.089 360 HA CYS 74 HA CYS 74 -6.375 -13.588 2.200 361 1HB CYS 74 HB2 CYS 74 -4.567 -14.872 1.338 362 2HB CYS 74 HB1 CYS 74 -3.652 -13.433 0.894 363 HG CYS 74 HG CYS 74 -3.598 -14.769 3.614 364 H GLY 75 HN GLY 75 -6.499 -12.296 3.974 365 1HA GLY 75 HA2 GLY 75 -5.446 -9.533 3.764 366 2HA GLY 75 HA1 GLY 75 -6.604 -10.104 4.965 367 H GLY 76 HN GLY 76 -3.268 -9.586 4.288 368 1HA GLY 76 HA2 GLY 76 -2.135 -11.311 6.293 369 2HA GLY 76 HA1 GLY 76 -1.342 -9.896 5.600 370 H ALA 77 HN ALA 77 -1.110 -8.140 6.908 371 HA ALA 77 HA ALA 77 -2.674 -8.127 9.457 372 1HB ALA 77 HB1 ALA 77 -0.819 -6.865 10.429 373 2HB ALA 77 HB2 ALA 77 -0.005 -6.810 8.866 374 3HB ALA 77 HB3 ALA 77 -0.201 -8.349 9.704 375 H VAL 78 HN VAL 78 -4.194 -6.546 9.564 376 HA VAL 78 HA VAL 78 -3.775 -4.110 7.877 377 HB VAL 78 HB VAL 78 -6.419 -5.249 8.822 378 1HG1 VAL 78 HG11 VAL 78 -6.866 -3.700 6.600 379 2HG1 VAL 78 HG12 VAL 78 -5.547 -2.829 7.381 380 3HG1 VAL 78 HG13 VAL 78 -7.043 -3.136 8.262 381 1HG2 VAL 78 HG21 VAL 78 -5.448 -5.336 5.979 382 2HG2 VAL 78 HG22 VAL 78 -6.654 -6.349 6.773 383 3HG2 VAL 78 HG23 VAL 78 -4.939 -6.594 7.104 384 H LYS 79 HN LYS 79 -2.560 -3.259 9.784 385 HA LYS 79 HA LYS 79 -4.175 -2.681 12.187 386 1HB LYS 79 HB2 LYS 79 -1.331 -1.903 11.464 387 2HB LYS 79 HB1 LYS 79 -2.094 -1.635 13.031 388 1HG LYS 79 HG2 LYS 79 -2.426 -4.069 13.287 389 2HG LYS 79 HG1 LYS 79 -1.651 -4.336 11.725 390 1HD LYS 79 HD2 LYS 79 0.299 -4.465 12.858 391 2HD LYS 79 HD1 LYS 79 0.160 -2.722 13.091 392 1HE LYS 79 HE2 LYS 79 -1.532 -3.963 15.012 393 2HE LYS 79 HE1 LYS 79 0.020 -4.798 15.067 394 1HZ LYS 79 HZ1 LYS 79 -0.484 -1.893 15.374 395 2HZ LYS 79 HZ2 LYS 79 1.068 -2.545 15.140 396 3HZ LYS 79 HZ3 LYS 79 0.168 -2.959 16.521 397 H ASP 80 HN ASP 80 -4.840 -0.574 12.773 398 HA ASP 80 HA ASP 80 -5.469 1.215 10.622 399 1HB ASP 80 HB2 ASP 80 -5.542 1.468 13.629 400 2HB ASP 80 HB1 ASP 80 -5.959 2.828 12.585 401 H GLY 81 HN GLY 81 -3.506 1.763 9.554 402 1HA GLY 81 HA2 GLY 81 -2.175 3.963 9.616 403 2HA GLY 81 HA1 GLY 81 -1.586 3.383 11.175 404 H VAL 82 HN VAL 82 -1.590 0.554 10.060 405 HA VAL 82 HA VAL 82 0.683 0.774 8.148 406 HB VAL 82 HB VAL 82 0.845 -1.191 10.414 407 1HG1 VAL 82 HG11 VAL 82 3.351 -0.247 9.873 408 2HG1 VAL 82 HG12 VAL 82 2.576 -0.056 8.300 409 3HG1 VAL 82 HG13 VAL 82 2.631 -1.642 9.069 410 1HG2 VAL 82 HG21 VAL 82 1.517 1.759 10.492 411 2HG2 VAL 82 HG22 VAL 82 2.285 0.592 11.567 412 3HG2 VAL 82 HG23 VAL 82 0.540 0.838 11.636 413 H ILE 83 HN ILE 83 0.667 -0.840 6.609 414 HA ILE 83 HA ILE 83 -1.216 -3.119 7.036 415 HB ILE 83 HB ILE 83 -0.894 -1.852 4.328 416 1HG1 ILE 83 HG12 ILE 83 -3.014 -1.041 6.335 417 2HG1 ILE 83 HG11 ILE 83 -1.545 -0.100 6.067 418 1HG2 ILE 83 HG21 ILE 83 -2.834 -3.660 5.740 419 2HG2 ILE 83 HG22 ILE 83 -2.077 -3.855 4.158 420 3HG2 ILE 83 HG23 ILE 83 -3.389 -2.696 4.371 421 1HD1 ILE 83 HD11 ILE 83 -2.474 -0.570 3.495 422 2HD1 ILE 83 HD12 ILE 83 -2.681 0.927 4.404 423 3HD1 ILE 83 HD13 ILE 83 -3.953 -0.294 4.415 424 H GLU 84 HN GLU 84 -0.374 -5.081 6.425 425 HA GLU 84 HA GLU 84 2.108 -5.069 4.765 426 1HB GLU 84 HB2 GLU 84 1.665 -6.839 7.187 427 2HB GLU 84 HB1 GLU 84 3.133 -6.709 6.218 428 1HG GLU 84 HG2 GLU 84 3.476 -4.419 6.930 429 2HG GLU 84 HG1 GLU 84 1.917 -4.398 7.755 430 H ILE 85 HN ILE 85 1.641 -6.223 2.959 431 HA ILE 85 HA ILE 85 0.258 -8.824 3.248 432 HB ILE 85 HB ILE 85 -0.700 -6.685 1.323 433 1HG1 ILE 85 HG12 ILE 85 -1.991 -7.816 3.828 434 2HG1 ILE 85 HG11 ILE 85 -1.324 -6.191 3.664 435 1HG2 ILE 85 HG21 ILE 85 -1.237 -9.588 1.691 436 2HG2 ILE 85 HG22 ILE 85 -1.302 -8.608 0.226 437 3HG2 ILE 85 HG23 ILE 85 -2.638 -8.564 1.378 438 1HD1 ILE 85 HD11 ILE 85 -3.239 -5.461 2.738 439 2HD1 ILE 85 HD12 ILE 85 -3.944 -7.055 3.005 440 3HD1 ILE 85 HD13 ILE 85 -3.131 -6.695 1.482 441 H GLN 86 HN GLN 86 0.806 -10.281 1.575 442 HA GLN 86 HA GLN 86 3.278 -9.702 0.173 443 1HB GLN 86 HB2 GLN 86 1.949 -12.006 0.948 444 2HB GLN 86 HB1 GLN 86 1.748 -12.007 -0.805 445 1HG GLN 86 HG2 GLN 86 4.176 -11.729 -1.097 446 2HG GLN 86 HG1 GLN 86 4.390 -11.696 0.654 447 1HE2 GLN 86 HE21 GLN 86 5.222 -13.687 1.302 448 2HE2 GLN 86 HE22 GLN 86 4.699 -15.195 0.726 449 H GLY 87 HN GLY 87 3.558 -9.229 -2.017 450 1HA GLY 87 HA2 GLY 87 1.761 -9.543 -4.123 451 2HA GLY 87 HA1 GLY 87 1.323 -7.999 -3.390 452 H ASP 88 HN ASP 88 3.109 -9.253 -5.825 453 HA ASP 88 HA ASP 88 5.280 -7.220 -5.564 454 1HB ASP 88 HB2 ASP 88 5.076 -9.607 -7.426 455 2HB ASP 88 HB1 ASP 88 6.458 -8.520 -7.289 456 H LYS 89 HN LYS 89 2.899 -6.078 -6.190 457 HA LYS 89 HA LYS 89 3.220 -5.482 -9.099 458 1HB LYS 89 HB2 LYS 89 0.556 -5.602 -7.659 459 2HB LYS 89 HB1 LYS 89 0.826 -5.382 -9.388 460 1HG LYS 89 HG2 LYS 89 1.925 -7.639 -9.442 461 2HG LYS 89 HG1 LYS 89 1.453 -7.858 -7.756 462 1HD LYS 89 HD2 LYS 89 -0.909 -7.621 -8.355 463 2HD LYS 89 HD1 LYS 89 -0.471 -7.313 -10.036 464 1HE LYS 89 HE2 LYS 89 0.602 -9.564 -10.129 465 2HE LYS 89 HE1 LYS 89 0.036 -9.870 -8.487 466 1HZ LYS 89 HZ1 LYS 89 -1.659 -10.765 -9.699 467 2HZ LYS 89 HZ2 LYS 89 -1.499 -9.657 -10.977 468 3HZ LYS 89 HZ3 LYS 89 -2.241 -9.182 -9.525 469 H ARG 90 HN ARG 90 4.526 -3.911 -7.356 470 HA ARG 90 HA ARG 90 3.164 -1.820 -6.056 471 1HB ARG 90 HB2 ARG 90 5.208 -0.541 -6.254 472 2HB ARG 90 HB1 ARG 90 5.654 -2.232 -6.024 473 1HG ARG 90 HG2 ARG 90 5.757 -2.411 -8.570 474 2HG ARG 90 HG1 ARG 90 5.658 -0.650 -8.601 475 1HD ARG 90 HD2 ARG 90 7.693 -0.441 -7.321 476 2HD ARG 90 HD1 ARG 90 7.743 -2.178 -7.022 477 HE ARG 90 HE ARG 90 7.754 -1.872 -9.816 478 1HH1 ARG 90 HH11 ARG 90 9.479 0.105 -7.734 479 2HH1 ARG 90 HH12 ARG 90 11.047 -0.349 -8.313 480 1HH2 ARG 90 HH21 ARG 90 9.858 -2.928 -10.303 481 2HH2 ARG 90 HH22 ARG 90 11.262 -2.066 -9.768 482 H ASP 91 HN ASP 91 3.673 -2.376 -9.472 483 HA ASP 91 HA ASP 91 3.105 0.281 -10.396 484 1HB ASP 91 HB2 ASP 91 4.078 -1.659 -11.748 485 2HB ASP 91 HB1 ASP 91 2.430 -2.274 -11.870 486 H LEU 92 HN LEU 92 0.985 -2.599 -10.147 487 HA LEU 92 HA LEU 92 -1.421 -1.283 -10.884 488 1HB LEU 92 HB2 LEU 92 -1.158 -3.759 -10.672 489 2HB LEU 92 HB1 LEU 92 -1.115 -3.573 -8.918 490 HG LEU 92 HG LEU 92 -3.384 -2.174 -10.094 491 1HD1 LEU 92 HD11 LEU 92 -2.818 -4.428 -11.511 492 2HD1 LEU 92 HD12 LEU 92 -4.455 -3.829 -11.246 493 3HD1 LEU 92 HD13 LEU 92 -3.805 -5.104 -10.215 494 1HD2 LEU 92 HD21 LEU 92 -4.496 -3.077 -8.240 495 2HD2 LEU 92 HD22 LEU 92 -2.829 -3.005 -7.667 496 3HD2 LEU 92 HD23 LEU 92 -3.502 -4.534 -8.231 497 H LEU 93 HN LEU 93 -0.037 -1.851 -7.635 498 HA LEU 93 HA LEU 93 -2.063 -0.619 -6.114 499 1HB LEU 93 HB2 LEU 93 0.925 -0.814 -5.713 500 2HB LEU 93 HB1 LEU 93 -0.119 -0.030 -4.526 501 HG LEU 93 HG LEU 93 -0.984 -2.707 -5.495 502 1HD1 LEU 93 HD11 LEU 93 0.909 -2.841 -3.246 503 2HD1 LEU 93 HD12 LEU 93 1.665 -2.432 -4.786 504 3HD1 LEU 93 HD13 LEU 93 0.730 -3.919 -4.631 505 1HD2 LEU 93 HD21 LEU 93 -2.355 -2.318 -3.746 506 2HD2 LEU 93 HD22 LEU 93 -1.427 -0.892 -3.282 507 3HD2 LEU 93 HD23 LEU 93 -0.958 -2.483 -2.681 508 H LYS 94 HN LYS 94 0.665 0.848 -7.851 509 HA LYS 94 HA LYS 94 0.203 3.522 -6.881 510 1HB LYS 94 HB2 LYS 94 2.340 2.805 -7.925 511 2HB LYS 94 HB1 LYS 94 1.508 2.626 -9.470 512 1HG LYS 94 HG2 LYS 94 0.826 5.196 -8.529 513 2HG LYS 94 HG1 LYS 94 2.559 5.025 -8.246 514 1HD LYS 94 HD2 LYS 94 1.594 4.028 -10.864 515 2HD LYS 94 HD1 LYS 94 1.502 5.775 -10.636 516 1HE LYS 94 HE2 LYS 94 3.912 5.700 -9.859 517 2HE LYS 94 HE1 LYS 94 3.955 4.017 -10.385 518 1HZ LYS 94 HZ1 LYS 94 3.023 5.013 -12.574 519 2HZ LYS 94 HZ2 LYS 94 4.687 5.107 -12.246 520 3HZ LYS 94 HZ3 LYS 94 3.691 6.461 -11.996 521 H SER 95 HN SER 95 -1.120 1.626 -9.533 522 HA SER 95 HA SER 95 -2.340 3.819 -10.943 523 1HB SER 95 HB2 SER 95 -1.989 1.504 -11.875 524 2HB SER 95 HB1 SER 95 -3.291 0.942 -10.831 525 HG SER 95 HG SER 95 -3.880 1.582 -13.039 526 H LEU 96 HN LEU 96 -3.939 1.320 -8.926 527 HA LEU 96 HA LEU 96 -6.423 2.589 -8.670 528 1HB LEU 96 HB2 LEU 96 -6.584 1.375 -6.452 529 2HB LEU 96 HB1 LEU 96 -6.138 0.353 -7.818 530 HG LEU 96 HG LEU 96 -3.676 1.089 -7.054 531 1HD1 LEU 96 HD11 LEU 96 -3.449 1.635 -4.825 532 2HD1 LEU 96 HD12 LEU 96 -4.919 0.781 -4.357 533 3HD1 LEU 96 HD13 LEU 96 -5.026 2.365 -5.124 534 1HD2 LEU 96 HD21 LEU 96 -3.980 -1.197 -7.141 535 2HD2 LEU 96 HD22 LEU 96 -5.492 -1.135 -6.236 536 3HD2 LEU 96 HD23 LEU 96 -3.952 -0.998 -5.389 537 H LEU 97 HN LEU 97 -3.450 3.150 -6.816 538 HA LEU 97 HA LEU 97 -4.539 4.884 -4.843 539 1HB LEU 97 HB2 LEU 97 -2.062 3.900 -5.318 540 2HB LEU 97 HB1 LEU 97 -1.847 5.548 -5.910 541 HG LEU 97 HG LEU 97 -1.294 5.394 -3.509 542 1HD1 LEU 97 HD11 LEU 97 -3.924 6.855 -3.827 543 2HD1 LEU 97 HD12 LEU 97 -2.427 7.434 -4.559 544 3HD1 LEU 97 HD13 LEU 97 -2.555 7.295 -2.805 545 1HD2 LEU 97 HD21 LEU 97 -4.005 5.088 -2.527 546 2HD2 LEU 97 HD22 LEU 97 -2.557 4.185 -2.083 547 3HD2 LEU 97 HD23 LEU 97 -3.525 3.675 -3.466 548 H GLU 98 HN GLU 98 -3.210 5.610 -8.075 549 HA GLU 98 HA GLU 98 -3.664 8.454 -7.868 550 1HB GLU 98 HB2 GLU 98 -2.378 6.772 -9.668 551 2HB GLU 98 HB1 GLU 98 -3.758 7.375 -10.587 552 1HG GLU 98 HG2 GLU 98 -3.085 9.706 -9.678 553 2HG GLU 98 HG1 GLU 98 -1.542 8.949 -9.282 554 H ALA 99 HN ALA 99 -5.738 5.775 -8.437 555 HA ALA 99 HA ALA 99 -7.732 7.089 -10.046 556 1HB ALA 99 HB1 ALA 99 -7.414 4.545 -8.692 557 2HB ALA 99 HB2 ALA 99 -8.430 4.945 -10.077 558 3HB ALA 99 HB3 ALA 99 -9.038 5.183 -8.439 559 H LYS 100 HN LYS 100 -7.008 7.078 -6.623 560 HA LYS 100 HA LYS 100 -9.587 8.297 -5.908 561 1HB LYS 100 HB2 LYS 100 -7.101 7.521 -4.395 562 2HB LYS 100 HB1 LYS 100 -8.303 8.574 -3.649 563 1HG LYS 100 HG2 LYS 100 -9.022 6.431 -3.007 564 2HG LYS 100 HG1 LYS 100 -10.020 6.773 -4.420 565 1HD LYS 100 HD2 LYS 100 -8.130 5.628 -5.775 566 2HD LYS 100 HD1 LYS 100 -7.600 4.986 -4.220 567 1HE LYS 100 HE2 LYS 100 -9.615 3.792 -3.893 568 2HE LYS 100 HE1 LYS 100 -10.467 4.726 -5.123 569 1HZ LYS 100 HZ1 LYS 100 -9.825 2.487 -5.875 570 2HZ LYS 100 HZ2 LYS 100 -8.190 2.902 -5.672 571 3HZ LYS 100 HZ3 LYS 100 -9.140 3.715 -6.822 572 H GLY 101 HN GLY 101 -6.514 9.343 -7.013 573 1HA GLY 101 HA2 GLY 101 -5.999 11.586 -7.662 574 2HA GLY 101 HA1 GLY 101 -7.362 12.153 -6.695 575 H MET 102 HN MET 102 -5.121 9.898 -5.285 576 HA MET 102 HA MET 102 -4.255 12.033 -3.409 577 1HB MET 102 HB2 MET 102 -3.608 9.107 -3.109 578 2HB MET 102 HB1 MET 102 -3.802 10.331 -1.853 579 1HG MET 102 HG2 MET 102 -6.263 10.401 -3.048 580 2HG MET 102 HG1 MET 102 -5.846 8.695 -3.216 581 1HE MET 102 HE1 MET 102 -6.265 6.959 -1.150 582 2HE MET 102 HE2 MET 102 -5.220 7.378 0.204 583 3HE MET 102 HE3 MET 102 -4.603 7.489 -1.442 584 H LYS 103 HN LYS 103 -1.880 11.749 -2.643 585 HA LYS 103 HA LYS 103 -0.191 11.805 -5.049 586 1HB LYS 103 HB2 LYS 103 -0.106 12.950 -2.417 587 2HB LYS 103 HB1 LYS 103 1.377 12.033 -2.684 588 1HG LYS 103 HG2 LYS 103 1.637 13.209 -4.887 589 2HG LYS 103 HG1 LYS 103 0.250 14.213 -4.462 590 1HD LYS 103 HD2 LYS 103 1.389 15.284 -2.721 591 2HD LYS 103 HD1 LYS 103 2.566 13.979 -2.559 592 1HE LYS 103 HE2 LYS 103 3.599 14.590 -4.682 593 2HE LYS 103 HE1 LYS 103 2.369 15.824 -4.958 594 1HZ LYS 103 HZ1 LYS 103 4.390 15.775 -2.785 595 2HZ LYS 103 HZ2 LYS 103 3.118 16.897 -2.878 596 3HZ LYS 103 HZ3 LYS 103 4.314 16.863 -4.084 597 H VAL 104 HN VAL 104 1.947 10.606 -4.981 598 HA VAL 104 HA VAL 104 1.902 8.114 -3.384 599 HB VAL 104 HB VAL 104 2.284 7.932 -6.370 600 1HG1 VAL 104 HG11 VAL 104 1.354 5.569 -5.699 601 2HG1 VAL 104 HG12 VAL 104 1.823 6.052 -4.069 602 3HG1 VAL 104 HG13 VAL 104 3.035 5.967 -5.348 603 1HG2 VAL 104 HG21 VAL 104 -0.302 7.707 -4.798 604 2HG2 VAL 104 HG22 VAL 104 -0.103 7.155 -6.461 605 3HG2 VAL 104 HG23 VAL 104 0.056 8.868 -6.075 606 H LYS 105 HN LYS 105 3.940 7.816 -2.631 607 HA LYS 105 HA LYS 105 6.183 9.076 -4.151 608 1HB LYS 105 HB2 LYS 105 5.472 9.077 -1.366 609 2HB LYS 105 HB1 LYS 105 7.033 8.279 -1.558 610 1HG LYS 105 HG2 LYS 105 8.044 10.171 -2.464 611 2HG LYS 105 HG1 LYS 105 6.514 10.843 -3.027 612 1HD LYS 105 HD2 LYS 105 5.914 11.607 -0.891 613 2HD LYS 105 HD1 LYS 105 7.026 10.503 -0.081 614 1HE LYS 105 HE2 LYS 105 8.944 11.769 -0.955 615 2HE LYS 105 HE1 LYS 105 7.849 12.861 -1.802 616 1HZ LYS 105 HZ1 LYS 105 7.824 12.436 1.134 617 2HZ LYS 105 HZ2 LYS 105 6.952 13.602 0.260 618 3HZ LYS 105 HZ3 LYS 105 8.644 13.708 0.369 619 H LEU 106 HN LEU 106 6.194 7.116 -5.546 620 HA LEU 106 HA LEU 106 6.510 4.470 -4.761 621 1HB LEU 106 HB2 LEU 106 7.547 6.089 -7.038 622 2HB LEU 106 HB1 LEU 106 8.297 4.514 -6.771 623 HG LEU 106 HG LEU 106 5.298 4.806 -6.804 624 1HD1 LEU 106 HD11 LEU 106 7.219 4.778 -9.105 625 2HD1 LEU 106 HD12 LEU 106 5.687 5.636 -8.938 626 3HD1 LEU 106 HD13 LEU 106 5.696 3.903 -9.264 627 1HD2 LEU 106 HD21 LEU 106 6.499 2.723 -5.968 628 2HD2 LEU 106 HD22 LEU 106 7.091 2.502 -7.615 629 3HD2 LEU 106 HD23 LEU 106 5.359 2.452 -7.286 630 H ALA 107 HN ALA 107 7.741 3.905 -3.003 631 HA ALA 107 HA ALA 107 10.495 5.024 -2.799 632 1HB ALA 107 HB1 ALA 107 8.639 3.701 -0.819 633 2HB ALA 107 HB2 ALA 107 9.362 5.307 -0.738 634 3HB ALA 107 HB3 ALA 107 10.362 3.876 -0.486 635 H GLY 108 HN GLY 108 12.215 3.440 -2.134 636 1HA GLY 108 HA2 GLY 108 11.880 0.617 -2.384 637 2HA GLY 108 HA1 GLY 108 12.395 1.262 -3.943 638 H GLY 109 HN GLY 109 14.463 0.247 -3.810 639 1HA GLY 109 HA2 GLY 109 16.223 0.485 -1.566 640 2HA GLY 109 HA1 GLY 109 16.729 0.113 -3.215 641 H LEU 110 HN LEU 110 18.525 1.514 -3.231 642 HA LEU 110 HA LEU 110 17.823 4.421 -3.182 643 1HB LEU 110 HB2 LEU 110 20.087 2.955 -1.877 644 2HB LEU 110 HB1 LEU 110 20.380 4.585 -2.486 645 HG LEU 110 HG LEU 110 18.034 3.918 -0.697 646 1HD1 LEU 110 HD11 LEU 110 19.383 4.826 1.162 647 2HD1 LEU 110 HD12 LEU 110 20.771 4.973 0.083 648 3HD1 LEU 110 HD13 LEU 110 20.132 3.379 0.486 649 1HD2 LEU 110 HD21 LEU 110 19.208 6.590 -0.600 650 2HD2 LEU 110 HD22 LEU 110 17.536 6.115 -0.899 651 3HD2 LEU 110 HD23 LEU 110 18.691 6.158 -2.230 652 H GLU 111 HN GLU 111 20.622 2.379 -4.108 653 HA GLU 111 HA GLU 111 20.959 4.021 -6.539 654 1HB GLU 111 HB2 GLU 111 22.970 3.408 -5.290 655 2HB GLU 111 HB1 GLU 111 22.566 1.697 -5.434 656 1HG GLU 111 HG2 GLU 111 22.711 1.890 -7.906 657 2HG GLU 111 HG1 GLU 111 23.181 3.581 -7.730 Start of MODEL 10 1 HA LYS 29 HA LYS 29 0.815 18.855 8.528 2 1HB LYS 29 HB2 LYS 29 -1.763 18.769 10.128 3 2HB LYS 29 HB1 LYS 29 -0.404 17.661 10.322 4 1HG LYS 29 HG2 LYS 29 1.064 19.593 10.866 5 2HG LYS 29 HG1 LYS 29 -0.333 20.663 10.747 6 1HD LYS 29 HD2 LYS 29 -1.455 19.389 12.548 7 2HD LYS 29 HD1 LYS 29 -0.040 18.345 12.681 8 1HE LYS 29 HE2 LYS 29 1.335 20.415 13.143 9 2HE LYS 29 HE1 LYS 29 -0.176 21.319 13.236 10 1HZ LYS 29 HZ1 LYS 29 -0.900 19.707 14.960 11 2HZ LYS 29 HZ2 LYS 29 0.425 20.663 15.424 12 3HZ LYS 29 HZ3 LYS 29 0.663 19.049 14.951 13 H GLY 30 HN GLY 30 -2.660 18.079 8.617 14 1HA GLY 30 HA2 GLY 30 -3.427 17.197 6.239 15 2HA GLY 30 HA1 GLY 30 -2.154 16.014 6.542 16 H ASP 31 HN ASP 31 -4.806 15.184 6.230 17 HA ASP 31 HA ASP 31 -5.375 14.176 8.979 18 1HB ASP 31 HB2 ASP 31 -7.311 15.426 7.026 19 2HB ASP 31 HB1 ASP 31 -7.858 14.315 8.283 20 H GLY 32 HN GLY 32 -3.920 12.665 7.266 21 1HA GLY 32 HA2 GLY 32 -4.944 10.184 7.115 22 2HA GLY 32 HA1 GLY 32 -5.746 10.923 5.728 23 H VAL 33 HN VAL 33 -3.327 8.928 6.287 24 HA VAL 33 HA VAL 33 -1.904 9.688 3.847 25 HB VAL 33 HB VAL 33 -0.705 11.091 5.437 26 1HG1 VAL 33 HG11 VAL 33 0.221 10.266 7.476 27 2HG1 VAL 33 HG12 VAL 33 -0.086 8.590 7.021 28 3HG1 VAL 33 HG13 VAL 33 -1.432 9.655 7.427 29 1HG2 VAL 33 HG21 VAL 33 1.249 10.514 4.466 30 2HG2 VAL 33 HG22 VAL 33 0.453 9.056 3.873 31 3HG2 VAL 33 HG23 VAL 33 1.329 9.022 5.403 32 H VAL 34 HN VAL 34 -1.268 7.827 2.844 33 HA VAL 34 HA VAL 34 -1.322 5.323 4.466 34 HB VAL 34 HB VAL 34 -1.629 5.795 1.487 35 1HG1 VAL 34 HG11 VAL 34 -0.610 3.717 1.478 36 2HG1 VAL 34 HG12 VAL 34 -2.283 3.228 1.750 37 3HG1 VAL 34 HG13 VAL 34 -1.161 3.324 3.107 38 1HG2 VAL 34 HG21 VAL 34 -3.491 6.084 3.449 39 2HG2 VAL 34 HG22 VAL 34 -3.663 4.363 3.105 40 3HG2 VAL 34 HG23 VAL 34 -3.881 5.547 1.816 41 H ARG 35 HN ARG 35 0.386 3.759 4.129 42 HA ARG 35 HA ARG 35 2.841 4.886 2.848 43 1HB ARG 35 HB2 ARG 35 2.587 4.734 5.534 44 2HB ARG 35 HB1 ARG 35 3.182 3.106 5.206 45 1HG ARG 35 HG2 ARG 35 5.124 3.986 4.049 46 2HG ARG 35 HG1 ARG 35 4.501 5.632 4.173 47 1HD ARG 35 HD2 ARG 35 4.559 5.380 6.682 48 2HD ARG 35 HD1 ARG 35 5.389 3.841 6.450 49 HE ARG 35 HE ARG 35 6.720 5.988 5.031 50 1HH1 ARG 35 HH21 ARG 35 7.179 3.623 7.283 51 2HH1 ARG 35 HH22 ARG 35 8.272 4.510 8.292 52 1HH2 ARG 35 HH11 ARG 35 7.724 7.532 6.682 53 2HH2 ARG 35 HH12 ARG 35 8.581 6.723 7.952 54 H ILE 36 HN ILE 36 2.855 3.576 1.031 55 HA ILE 36 HA ILE 36 2.548 0.639 1.441 56 HB ILE 36 HB ILE 36 2.777 1.992 -1.242 57 1HG1 ILE 36 HG12 ILE 36 0.049 1.620 -0.703 58 2HG1 ILE 36 HG11 ILE 36 0.693 2.386 0.750 59 1HG2 ILE 36 HG21 ILE 36 2.439 -0.136 -1.895 60 2HG2 ILE 36 HG22 ILE 36 0.842 -0.070 -1.150 61 3HG2 ILE 36 HG23 ILE 36 2.225 -0.651 -0.222 62 1HD1 ILE 36 HD11 ILE 36 1.240 4.328 -0.348 63 2HD1 ILE 36 HD12 ILE 36 -0.077 3.808 -1.400 64 3HD1 ILE 36 HD13 ILE 36 1.596 3.495 -1.861 65 H GLN 37 HN GLN 37 4.365 -0.594 1.446 66 HA GLN 37 HA GLN 37 6.821 0.546 0.170 67 1HB GLN 37 HB2 GLN 37 6.807 -1.321 2.551 68 2HB GLN 37 HB1 GLN 37 8.158 -0.376 1.924 69 1HG GLN 37 HG2 GLN 37 6.954 1.711 2.509 70 2HG GLN 37 HG1 GLN 37 5.635 0.748 3.178 71 1HE2 GLN 37 HE21 GLN 37 6.731 2.376 5.031 72 2HE2 GLN 37 HE22 GLN 37 7.787 1.546 6.068 73 H ARG 38 HN ARG 38 8.440 -1.695 0.337 74 HA ARG 38 HA ARG 38 6.960 -3.992 -0.769 75 1HB ARG 38 HB2 ARG 38 8.558 -3.969 -2.795 76 2HB ARG 38 HB1 ARG 38 7.221 -2.818 -2.815 77 1HG ARG 38 HG2 ARG 38 8.615 -0.999 -2.279 78 2HG ARG 38 HG1 ARG 38 9.894 -2.044 -1.660 79 1HD ARG 38 HD2 ARG 38 10.291 -2.896 -3.954 80 2HD ARG 38 HD1 ARG 38 9.046 -1.806 -4.562 81 HE ARG 38 HE ARG 38 11.067 -0.368 -3.069 82 1HH1 ARG 38 HH11 ARG 38 11.113 -2.355 -5.815 83 2HH1 ARG 38 HH12 ARG 38 11.831 -1.171 -6.856 84 1HH2 ARG 38 HH21 ARG 38 11.654 1.382 -4.517 85 2HH2 ARG 38 HH22 ARG 38 12.138 0.944 -6.122 86 H GLN 39 HN GLN 39 7.997 -5.860 -0.195 87 HA GLN 39 HA GLN 39 10.825 -5.608 0.752 88 1HB GLN 39 HB2 GLN 39 8.626 -6.353 2.250 89 2HB GLN 39 HB1 GLN 39 9.301 -7.908 1.760 90 1HG GLN 39 HG2 GLN 39 11.461 -6.181 2.506 91 2HG GLN 39 HG1 GLN 39 10.253 -6.150 3.792 92 1HE2 GLN 39 HE21 GLN 39 12.860 -7.455 4.025 93 2HE2 GLN 39 HE22 GLN 39 12.572 -9.114 4.235 94 H THR 40 HN THR 40 12.098 -6.504 -0.807 95 HA THR 40 HA THR 40 11.105 -8.970 -2.172 96 HB THR 40 HB THR 40 11.620 -7.129 -3.708 97 HG1 THR 40 HG1 THR 40 12.619 -8.440 -5.019 98 1HG2 THR 40 HG21 THR 40 14.215 -6.599 -3.782 99 2HG2 THR 40 HG22 THR 40 14.131 -7.060 -2.082 100 3HG2 THR 40 HG23 THR 40 13.150 -5.723 -2.683 101 H SER 41 HN SER 41 12.902 -10.560 -2.716 102 HA SER 41 HA SER 41 15.204 -10.487 -0.862 103 1HB SER 41 HB2 SER 41 12.900 -11.816 -0.092 104 2HB SER 41 HB1 SER 41 13.867 -13.098 -0.816 105 HG SER 41 HG SER 41 15.626 -12.039 0.530 106 H GLY 42 HN GLY 42 14.512 -10.577 -3.856 107 1HA GLY 42 HA2 GLY 42 16.748 -12.111 -4.712 108 2HA GLY 42 HA1 GLY 42 15.299 -13.093 -4.932 109 H ARG 43 HN ARG 43 15.373 -13.004 -7.222 110 HA ARG 43 HA ARG 43 14.330 -10.482 -8.348 111 1HB ARG 43 HB2 ARG 43 16.014 -10.346 -10.098 112 2HB ARG 43 HB1 ARG 43 16.829 -10.337 -8.534 113 1HG ARG 43 HG2 ARG 43 17.299 -12.735 -8.737 114 2HG ARG 43 HG1 ARG 43 16.434 -12.790 -10.274 115 1HD ARG 43 HD2 ARG 43 18.045 -11.292 -11.298 116 2HD ARG 43 HD1 ARG 43 18.855 -11.042 -9.751 117 HE ARG 43 HE ARG 43 18.861 -13.832 -10.306 118 1HH1 ARG 43 HH11 ARG 43 20.417 -10.845 -10.926 119 2HH1 ARG 43 HH12 ARG 43 21.734 -11.548 -11.803 120 1HH2 ARG 43 HH21 ARG 43 20.447 -14.766 -11.678 121 2HH2 ARG 43 HH22 ARG 43 21.752 -13.768 -12.229 122 H LYS 44 HN LYS 44 14.128 -10.998 -10.932 123 HA LYS 44 HA LYS 44 13.001 -12.294 -12.530 124 1HB LYS 44 HB2 LYS 44 14.971 -13.855 -11.873 125 2HB LYS 44 HB1 LYS 44 13.762 -14.743 -10.944 126 1HG LYS 44 HG2 LYS 44 12.405 -15.062 -12.955 127 2HG LYS 44 HG1 LYS 44 13.544 -14.103 -13.900 128 1HD LYS 44 HD2 LYS 44 15.333 -15.751 -13.363 129 2HD LYS 44 HD1 LYS 44 14.139 -16.733 -12.513 130 1HE LYS 44 HE2 LYS 44 12.816 -16.897 -14.613 131 2HE LYS 44 HE1 LYS 44 14.071 -15.985 -15.452 132 1HZ LYS 44 HZ1 LYS 44 14.684 -18.462 -13.959 133 2HZ LYS 44 HZ2 LYS 44 15.611 -17.691 -15.156 134 3HZ LYS 44 HZ3 LYS 44 14.180 -18.503 -15.578 135 H GLY 45 HN GLY 45 11.734 -11.449 -9.919 136 1HA GLY 45 HA2 GLY 45 9.186 -11.837 -9.941 137 2HA GLY 45 HA1 GLY 45 9.605 -13.541 -9.762 138 H LYS 46 HN LYS 46 8.387 -13.475 -7.721 139 HA LYS 46 HA LYS 46 8.281 -13.335 -5.382 140 1HB LYS 46 HB2 LYS 46 10.864 -14.049 -6.022 141 2HB LYS 46 HB1 LYS 46 11.112 -12.616 -5.023 142 1HG LYS 46 HG2 LYS 46 9.705 -13.586 -3.254 143 2HG LYS 46 HG1 LYS 46 9.417 -15.011 -4.253 144 1HD LYS 46 HD2 LYS 46 12.191 -14.108 -3.450 145 2HD LYS 46 HD1 LYS 46 11.250 -15.264 -2.506 146 1HE LYS 46 HE2 LYS 46 10.987 -16.564 -4.728 147 2HE LYS 46 HE1 LYS 46 12.316 -15.563 -5.312 148 1HZ LYS 46 HZ1 LYS 46 13.490 -17.270 -4.426 149 2HZ LYS 46 HZ2 LYS 46 12.312 -17.642 -3.259 150 3HZ LYS 46 HZ3 LYS 46 13.352 -16.318 -3.029 151 H GLY 47 HN GLY 47 7.243 -11.552 -4.634 152 1HA GLY 47 HA2 GLY 47 8.642 -9.222 -3.767 153 2HA GLY 47 HA1 GLY 47 7.859 -8.867 -5.308 154 H VAL 48 HN VAL 48 7.358 -8.310 -2.213 155 HA VAL 48 HA VAL 48 4.404 -8.675 -2.462 156 HB VAL 48 HB VAL 48 4.279 -9.185 -0.070 157 1HG1 VAL 48 HG11 VAL 48 5.882 -10.816 -1.954 158 2HG1 VAL 48 HG12 VAL 48 4.435 -11.246 -1.042 159 3HG1 VAL 48 HG13 VAL 48 6.014 -11.272 -0.256 160 1HG2 VAL 48 HG21 VAL 48 7.081 -9.698 0.420 161 2HG2 VAL 48 HG22 VAL 48 5.971 -8.676 1.332 162 3HG2 VAL 48 HG23 VAL 48 6.852 -8.012 -0.044 163 H CYS 49 HN CYS 49 3.163 -6.961 -1.591 164 HA CYS 49 HA CYS 49 4.741 -4.586 -0.682 165 1HB CYS 49 HB2 CYS 49 2.612 -4.840 -2.767 166 2HB CYS 49 HB1 CYS 49 2.643 -3.370 -1.794 167 HG CYS 49 HG CYS 49 4.265 -2.876 -3.727 168 H LEU 50 HN LEU 50 4.195 -4.111 1.386 169 HA LEU 50 HA LEU 50 1.419 -4.768 2.286 170 1HB LEU 50 HB2 LEU 50 2.420 -4.775 4.593 171 2HB LEU 50 HB1 LEU 50 3.073 -6.029 3.538 172 HG LEU 50 HG LEU 50 4.502 -3.448 3.412 173 1HD1 LEU 50 HD11 LEU 50 3.786 -4.410 5.961 174 2HD1 LEU 50 HD12 LEU 50 5.028 -3.214 5.591 175 3HD1 LEU 50 HD13 LEU 50 5.457 -4.919 5.719 176 1HD2 LEU 50 HD21 LEU 50 6.206 -4.822 2.792 177 2HD2 LEU 50 HD22 LEU 50 4.950 -6.050 2.637 178 3HD2 LEU 50 HD23 LEU 50 5.903 -5.944 4.118 179 H ILE 51 HN ILE 51 0.196 -3.124 3.191 180 HA ILE 51 HA ILE 51 1.454 -0.414 3.182 181 HB ILE 51 HB ILE 51 -1.457 -1.238 2.948 182 1HG1 ILE 51 HG12 ILE 51 -1.161 -0.157 0.669 183 2HG1 ILE 51 HG11 ILE 51 0.573 -0.133 0.988 184 1HG2 ILE 51 HG21 ILE 51 -0.809 1.511 2.267 185 2HG2 ILE 51 HG22 ILE 51 -0.377 1.156 3.940 186 3HG2 ILE 51 HG23 ILE 51 -2.031 0.899 3.383 187 1HD1 ILE 51 HD11 ILE 51 -0.788 -2.233 -0.170 188 2HD1 ILE 51 HD12 ILE 51 -0.676 -2.739 1.516 189 3HD1 ILE 51 HD13 ILE 51 0.788 -2.358 0.611 190 H THR 52 HN THR 52 1.825 0.453 5.161 191 HA THR 52 HA THR 52 -0.076 -0.111 7.364 192 HB THR 52 HB THR 52 1.504 -1.813 7.833 193 HG1 THR 52 HG1 THR 52 1.667 -1.058 9.766 194 1HG2 THR 52 HG21 THR 52 3.999 -1.239 7.835 195 2HG2 THR 52 HG22 THR 52 3.553 0.230 6.966 196 3HG2 THR 52 HG23 THR 52 3.224 -1.349 6.254 197 H GLY 53 HN GLY 53 0.134 1.459 9.120 198 1HA GLY 53 HA2 GLY 53 0.992 3.496 10.077 199 2HA GLY 53 HA1 GLY 53 1.906 3.777 8.594 200 H VAL 54 HN VAL 54 -1.418 2.817 8.334 201 HA VAL 54 HA VAL 54 -2.059 5.332 6.983 202 HB VAL 54 HB VAL 54 -3.976 3.108 7.713 203 1HG1 VAL 54 HG11 VAL 54 -3.898 5.107 5.432 204 2HG1 VAL 54 HG12 VAL 54 -4.942 5.218 6.849 205 3HG1 VAL 54 HG13 VAL 54 -5.153 3.897 5.699 206 1HG2 VAL 54 HG21 VAL 54 -3.099 2.854 5.029 207 2HG2 VAL 54 HG22 VAL 54 -2.815 1.731 6.358 208 3HG2 VAL 54 HG23 VAL 54 -1.646 3.006 6.017 209 H ASP 55 HN ASP 55 -2.601 7.103 8.161 210 HA ASP 55 HA ASP 55 -3.776 6.742 10.859 211 1HB ASP 55 HB2 ASP 55 -1.862 8.350 10.422 212 2HB ASP 55 HB1 ASP 55 -2.997 9.332 9.494 213 H LEU 56 HN LEU 56 -5.834 5.946 9.851 214 HA LEU 56 HA LEU 56 -7.627 8.250 9.329 215 1HB LEU 56 HB2 LEU 56 -7.128 5.942 7.463 216 2HB LEU 56 HB1 LEU 56 -8.709 6.722 7.500 217 HG LEU 56 HG LEU 56 -6.712 8.768 7.468 218 1HD1 LEU 56 HD11 LEU 56 -5.723 8.236 5.218 219 2HD1 LEU 56 HD12 LEU 56 -6.386 6.608 5.366 220 3HD1 LEU 56 HD13 LEU 56 -5.163 7.169 6.506 221 1HD2 LEU 56 HD21 LEU 56 -9.183 8.494 6.528 222 2HD2 LEU 56 HD22 LEU 56 -8.330 8.017 5.060 223 3HD2 LEU 56 HD23 LEU 56 -8.049 9.609 5.766 224 H ASP 57 HN ASP 57 -10.006 7.246 9.170 225 HA ASP 57 HA ASP 57 -10.600 6.086 11.684 226 1HB ASP 57 HB2 ASP 57 -12.083 7.127 9.609 227 2HB ASP 57 HB1 ASP 57 -12.515 5.418 9.552 228 H ASP 58 HN ASP 58 -11.430 3.903 12.142 229 HA ASP 58 HA ASP 58 -9.735 1.845 11.035 230 1HB ASP 58 HB2 ASP 58 -11.697 2.094 13.176 231 2HB ASP 58 HB1 ASP 58 -11.856 0.558 12.323 232 H ALA 59 HN ALA 59 -13.237 2.512 10.750 233 HA ALA 59 HA ALA 59 -13.846 0.361 8.996 234 1HB ALA 59 HB1 ALA 59 -15.086 3.019 9.596 235 2HB ALA 59 HB2 ALA 59 -15.765 1.401 9.773 236 3HB ALA 59 HB3 ALA 59 -15.649 2.138 8.175 237 H GLU 60 HN GLU 60 -12.476 3.554 8.374 238 HA GLU 60 HA GLU 60 -12.771 3.601 5.546 239 1HB GLU 60 HB2 GLU 60 -11.474 5.169 7.508 240 2HB GLU 60 HB1 GLU 60 -10.229 4.719 6.343 241 1HG GLU 60 HG2 GLU 60 -12.542 5.376 4.841 242 2HG GLU 60 HG1 GLU 60 -12.344 6.647 6.047 243 H LEU 61 HN LEU 61 -9.962 2.503 7.488 244 HA LEU 61 HA LEU 61 -8.296 1.587 5.473 245 1HB LEU 61 HB2 LEU 61 -8.845 0.705 8.258 246 2HB LEU 61 HB1 LEU 61 -7.984 -0.444 7.233 247 HG LEU 61 HG LEU 61 -6.730 1.951 6.650 248 1HD1 LEU 61 HD11 LEU 61 -8.006 2.145 9.263 249 2HD1 LEU 61 HD12 LEU 61 -7.163 3.387 8.337 250 3HD1 LEU 61 HD13 LEU 61 -6.253 2.297 9.382 251 1HD2 LEU 61 HD21 LEU 61 -5.749 0.237 8.912 252 2HD2 LEU 61 HD22 LEU 61 -4.851 0.901 7.548 253 3HD2 LEU 61 HD23 LEU 61 -5.926 -0.477 7.309 254 H THR 62 HN THR 62 -11.132 -0.098 6.817 255 HA THR 62 HA THR 62 -10.878 -2.503 5.326 256 HB THR 62 HB THR 62 -13.448 -1.098 6.120 257 HG1 THR 62 HG1 THR 62 -12.166 -1.391 7.915 258 1HG2 THR 62 HG21 THR 62 -14.466 -2.883 5.215 259 2HG2 THR 62 HG22 THR 62 -13.559 -3.940 6.297 260 3HG2 THR 62 HG23 THR 62 -12.904 -3.528 4.711 261 H LYS 63 HN LYS 63 -12.705 0.474 4.535 262 HA LYS 63 HA LYS 63 -13.677 -0.301 2.012 263 1HB LYS 63 HB2 LYS 63 -12.662 2.428 2.871 264 2HB LYS 63 HB1 LYS 63 -13.668 2.122 1.455 265 1HG LYS 63 HG2 LYS 63 -15.392 1.110 2.981 266 2HG LYS 63 HG1 LYS 63 -14.413 1.635 4.352 267 1HD LYS 63 HD2 LYS 63 -14.525 3.986 3.360 268 2HD LYS 63 HD1 LYS 63 -15.768 3.366 2.274 269 1HE LYS 63 HE2 LYS 63 -17.193 2.769 4.130 270 2HE LYS 63 HE1 LYS 63 -15.917 3.136 5.291 271 1HZ LYS 63 HZ1 LYS 63 -16.411 5.342 3.569 272 2HZ LYS 63 HZ2 LYS 63 -16.462 5.270 5.266 273 3HZ LYS 63 HZ3 LYS 63 -17.836 4.864 4.354 274 H LEU 64 HN LEU 64 -10.445 0.664 2.983 275 HA LEU 64 HA LEU 64 -9.405 1.075 0.324 276 1HB LEU 64 HB2 LEU 64 -8.402 1.097 3.027 277 2HB LEU 64 HB1 LEU 64 -7.315 0.159 2.003 278 HG LEU 64 HG LEU 64 -7.381 2.071 0.346 279 1HD1 LEU 64 HD11 LEU 64 -8.155 4.250 1.182 280 2HD1 LEU 64 HD12 LEU 64 -8.669 3.499 2.693 281 3HD1 LEU 64 HD13 LEU 64 -9.481 3.087 1.183 282 1HD2 LEU 64 HD21 LEU 64 -6.394 2.956 3.063 283 2HD2 LEU 64 HD22 LEU 64 -5.686 3.294 1.484 284 3HD2 LEU 64 HD23 LEU 64 -5.599 1.667 2.159 285 H ALA 65 HN ALA 65 -9.119 -1.699 2.577 286 HA ALA 65 HA ALA 65 -7.762 -3.461 0.858 287 1HB ALA 65 HB1 ALA 65 -9.564 -5.099 2.203 288 2HB ALA 65 HB2 ALA 65 -9.417 -3.694 3.260 289 3HB ALA 65 HB3 ALA 65 -7.978 -4.605 2.798 290 H ALA 66 HN ALA 66 -11.179 -2.586 0.941 291 HA ALA 66 HA ALA 66 -12.027 -4.632 -0.928 292 1HB ALA 66 HB1 ALA 66 -13.877 -3.829 0.178 293 2HB ALA 66 HB2 ALA 66 -13.930 -2.747 -1.214 294 3HB ALA 66 HB3 ALA 66 -13.222 -2.196 0.304 295 H GLU 67 HN GLU 67 -11.086 -1.213 -1.233 296 HA GLU 67 HA GLU 67 -11.611 -1.008 -4.045 297 1HB GLU 67 HB2 GLU 67 -11.072 0.847 -2.265 298 2HB GLU 67 HB1 GLU 67 -9.396 0.528 -2.712 299 1HG GLU 67 HG2 GLU 67 -10.200 0.786 -5.155 300 2HG GLU 67 HG1 GLU 67 -11.643 1.527 -4.461 301 H LEU 68 HN LEU 68 -9.095 -2.549 -2.250 302 HA LEU 68 HA LEU 68 -7.183 -2.541 -4.482 303 1HB LEU 68 HB2 LEU 68 -7.212 -3.456 -1.666 304 2HB LEU 68 HB1 LEU 68 -6.245 -4.440 -2.766 305 HG LEU 68 HG LEU 68 -4.912 -2.599 -1.771 306 1HD1 LEU 68 HD11 LEU 68 -3.750 -2.551 -3.701 307 2HD1 LEU 68 HD12 LEU 68 -4.984 -1.553 -4.470 308 3HD1 LEU 68 HD13 LEU 68 -5.133 -3.311 -4.489 309 1HD2 LEU 68 HD21 LEU 68 -5.470 -0.329 -2.069 310 2HD2 LEU 68 HD22 LEU 68 -7.029 -1.078 -1.725 311 3HD2 LEU 68 HD23 LEU 68 -6.588 -0.683 -3.386 312 H LYS 69 HN LYS 69 -8.962 -5.109 -2.715 313 HA LYS 69 HA LYS 69 -8.389 -7.176 -4.587 314 1HB LYS 69 HB2 LYS 69 -10.496 -6.742 -2.498 315 2HB LYS 69 HB1 LYS 69 -10.689 -8.077 -3.635 316 1HG LYS 69 HG2 LYS 69 -8.400 -8.867 -3.041 317 2HG LYS 69 HG1 LYS 69 -8.302 -7.587 -1.831 318 1HD LYS 69 HD2 LYS 69 -9.526 -8.779 -0.361 319 2HD LYS 69 HD1 LYS 69 -10.776 -9.089 -1.567 320 1HE LYS 69 HE2 LYS 69 -8.782 -10.717 -2.471 321 2HE LYS 69 HE1 LYS 69 -8.501 -10.785 -0.731 322 1HZ LYS 69 HZ1 LYS 69 -10.783 -11.722 -2.285 323 2HZ LYS 69 HZ2 LYS 69 -11.120 -11.053 -0.760 324 3HZ LYS 69 HZ3 LYS 69 -10.072 -12.384 -0.895 325 H LYS 70 HN LYS 70 -10.624 -4.522 -4.710 326 HA LYS 70 HA LYS 70 -12.620 -5.437 -6.440 327 1HB LYS 70 HB2 LYS 70 -11.666 -2.923 -5.572 328 2HB LYS 70 HB1 LYS 70 -11.697 -2.850 -7.334 329 1HG LYS 70 HG2 LYS 70 -14.028 -3.607 -7.349 330 2HG LYS 70 HG1 LYS 70 -14.009 -3.752 -5.592 331 1HD LYS 70 HD2 LYS 70 -13.415 -1.289 -5.498 332 2HD LYS 70 HD1 LYS 70 -13.744 -1.220 -7.230 333 1HE LYS 70 HE2 LYS 70 -15.959 -1.110 -6.855 334 2HE LYS 70 HE1 LYS 70 -15.902 -2.580 -5.882 335 1HZ LYS 70 HZ1 LYS 70 -15.281 -1.298 -3.971 336 2HZ LYS 70 HZ2 LYS 70 -16.692 -0.628 -4.639 337 3HZ LYS 70 HZ3 LYS 70 -15.189 0.125 -4.888 338 H LYS 71 HN LYS 71 -9.334 -4.347 -7.275 339 HA LYS 71 HA LYS 71 -9.711 -5.679 -9.924 340 1HB LYS 71 HB2 LYS 71 -8.081 -3.886 -10.787 341 2HB LYS 71 HB1 LYS 71 -9.733 -3.362 -10.458 342 1HG LYS 71 HG2 LYS 71 -9.057 -2.502 -8.268 343 2HG LYS 71 HG1 LYS 71 -7.412 -3.085 -8.527 344 1HD LYS 71 HD2 LYS 71 -8.810 -1.064 -10.304 345 2HD LYS 71 HD1 LYS 71 -7.667 -0.646 -9.027 346 1HE LYS 71 HE2 LYS 71 -6.356 -2.626 -10.499 347 2HE LYS 71 HE1 LYS 71 -7.142 -1.626 -11.720 348 1HZ LYS 71 HZ1 LYS 71 -6.067 0.075 -9.792 349 2HZ LYS 71 HZ2 LYS 71 -5.583 -0.109 -11.410 350 3HZ LYS 71 HZ3 LYS 71 -4.859 -1.046 -10.192 351 H CYS 72 HN CYS 72 -8.706 -7.430 -8.468 352 HA CYS 72 HA CYS 72 -5.764 -7.317 -8.844 353 1HB CYS 72 HB2 CYS 72 -7.007 -6.998 -6.315 354 2HB CYS 72 HB1 CYS 72 -6.339 -8.631 -6.343 355 HG CYS 72 HG CYS 72 -4.695 -6.193 -5.989 356 H GLY 73 HN GLY 73 -8.589 -9.275 -7.909 357 1HA GLY 73 HA2 GLY 73 -8.988 -11.284 -9.379 358 2HA GLY 73 HA1 GLY 73 -7.259 -11.605 -9.237 359 H CYS 74 HN CYS 74 -6.569 -11.607 -6.751 360 HA CYS 74 HA CYS 74 -8.328 -12.358 -4.697 361 1HB CYS 74 HB2 CYS 74 -9.064 -14.239 -6.018 362 2HB CYS 74 HB1 CYS 74 -7.402 -14.699 -6.385 363 HG CYS 74 HG CYS 74 -7.214 -15.822 -4.173 364 H GLY 75 HN GLY 75 -6.892 -11.626 -3.186 365 1HA GLY 75 HA2 GLY 75 -4.828 -13.078 -2.099 366 2HA GLY 75 HA1 GLY 75 -4.031 -12.186 -3.397 367 H GLY 76 HN GLY 76 -6.610 -11.291 -1.083 368 1HA GLY 76 HA2 GLY 76 -4.912 -8.944 -0.332 369 2HA GLY 76 HA1 GLY 76 -6.672 -8.868 -0.424 370 H ALA 77 HN ALA 77 -4.144 -9.176 1.705 371 HA ALA 77 HA ALA 77 -5.737 -10.782 3.651 372 1HB ALA 77 HB1 ALA 77 -3.217 -11.233 3.089 373 2HB ALA 77 HB2 ALA 77 -3.733 -11.262 4.775 374 3HB ALA 77 HB3 ALA 77 -2.917 -9.839 4.126 375 H VAL 78 HN VAL 78 -7.066 -9.461 4.823 376 HA VAL 78 HA VAL 78 -6.308 -6.667 5.328 377 HB VAL 78 HB VAL 78 -8.689 -8.022 6.568 378 1HG1 VAL 78 HG11 VAL 78 -9.684 -5.808 6.228 379 2HG1 VAL 78 HG12 VAL 78 -8.244 -5.273 5.363 380 3HG1 VAL 78 HG13 VAL 78 -8.150 -5.648 7.083 381 1HG2 VAL 78 HG21 VAL 78 -8.270 -7.293 3.665 382 2HG2 VAL 78 HG22 VAL 78 -9.879 -7.348 4.383 383 3HG2 VAL 78 HG23 VAL 78 -8.886 -8.805 4.332 384 H LYS 79 HN LYS 79 -4.422 -7.072 6.679 385 HA LYS 79 HA LYS 79 -4.914 -8.372 9.292 386 1HB LYS 79 HB2 LYS 79 -2.541 -7.574 7.710 387 2HB LYS 79 HB1 LYS 79 -2.379 -7.371 9.455 388 1HG LYS 79 HG2 LYS 79 -3.507 -9.929 8.347 389 2HG LYS 79 HG1 LYS 79 -1.761 -9.679 8.380 390 1HD LYS 79 HD2 LYS 79 -1.984 -9.106 10.835 391 2HD LYS 79 HD1 LYS 79 -3.663 -9.638 10.736 392 1HE LYS 79 HE2 LYS 79 -2.923 -11.862 9.979 393 2HE LYS 79 HE1 LYS 79 -1.242 -11.335 10.061 394 1HZ LYS 79 HZ1 LYS 79 -1.248 -11.920 12.181 395 2HZ LYS 79 HZ2 LYS 79 -2.908 -12.282 12.137 396 3HZ LYS 79 HZ3 LYS 79 -2.388 -10.705 12.499 397 H ASP 80 HN ASP 80 -4.064 -7.094 11.267 398 HA ASP 80 HA ASP 80 -5.559 -4.684 11.533 399 1HB ASP 80 HB2 ASP 80 -4.717 -6.194 13.407 400 2HB ASP 80 HB1 ASP 80 -3.146 -5.417 13.206 401 H GLY 81 HN GLY 81 -5.122 -2.844 10.426 402 1HA GLY 81 HA2 GLY 81 -3.906 -1.114 9.404 403 2HA GLY 81 HA1 GLY 81 -2.814 -1.285 10.779 404 H VAL 82 HN VAL 82 -3.363 -3.949 8.573 405 HA VAL 82 HA VAL 82 -0.789 -3.379 7.199 406 HB VAL 82 HB VAL 82 -1.443 -5.866 8.794 407 1HG1 VAL 82 HG11 VAL 82 0.444 -5.439 6.497 408 2HG1 VAL 82 HG12 VAL 82 -0.563 -6.839 6.867 409 3HG1 VAL 82 HG13 VAL 82 0.902 -6.536 7.800 410 1HG2 VAL 82 HG21 VAL 82 -0.304 -3.823 9.841 411 2HG2 VAL 82 HG22 VAL 82 1.061 -4.166 8.778 412 3HG2 VAL 82 HG23 VAL 82 0.564 -5.352 9.985 413 H ILE 83 HN ILE 83 -2.099 -3.028 5.306 414 HA ILE 83 HA ILE 83 -3.847 -5.194 4.367 415 HB ILE 83 HB ILE 83 -2.956 -2.860 2.686 416 1HG1 ILE 83 HG12 ILE 83 -3.516 -1.794 4.762 417 2HG1 ILE 83 HG11 ILE 83 -4.937 -1.636 3.729 418 1HG2 ILE 83 HG21 ILE 83 -5.397 -4.620 2.920 419 2HG2 ILE 83 HG22 ILE 83 -4.371 -4.351 1.511 420 3HG2 ILE 83 HG23 ILE 83 -5.457 -3.077 2.067 421 1HD1 ILE 83 HD11 ILE 83 -5.982 -2.443 5.612 422 2HD1 ILE 83 HD12 ILE 83 -4.544 -3.299 6.170 423 3HD1 ILE 83 HD13 ILE 83 -5.535 -3.985 4.883 424 H GLU 84 HN GLU 84 -2.662 -6.999 3.804 425 HA GLU 84 HA GLU 84 -0.121 -6.742 2.363 426 1HB GLU 84 HB2 GLU 84 -1.031 -8.617 4.070 427 2HB GLU 84 HB1 GLU 84 -1.505 -9.371 2.547 428 1HG GLU 84 HG2 GLU 84 1.196 -8.247 2.453 429 2HG GLU 84 HG1 GLU 84 1.021 -9.496 3.686 430 H ILE 85 HN ILE 85 0.050 -6.671 0.176 431 HA ILE 85 HA ILE 85 -2.174 -7.815 -1.454 432 HB ILE 85 HB ILE 85 -0.867 -5.099 -1.767 433 1HG1 ILE 85 HG12 ILE 85 -2.853 -5.412 -0.210 434 2HG1 ILE 85 HG11 ILE 85 -3.107 -4.254 -1.516 435 1HG2 ILE 85 HG21 ILE 85 -2.652 -5.154 -3.766 436 2HG2 ILE 85 HG22 ILE 85 -2.258 -6.872 -3.723 437 3HG2 ILE 85 HG23 ILE 85 -0.985 -5.682 -3.994 438 1HD1 ILE 85 HD11 ILE 85 -3.806 -7.082 -2.109 439 2HD1 ILE 85 HD12 ILE 85 -4.620 -5.596 -2.596 440 3HD1 ILE 85 HD13 ILE 85 -4.856 -6.237 -0.971 441 H GLN 86 HN GLN 86 -1.185 -9.477 -2.515 442 HA GLN 86 HA GLN 86 1.655 -9.485 -3.100 443 1HB GLN 86 HB2 GLN 86 -0.623 -11.318 -3.412 444 2HB GLN 86 HB1 GLN 86 0.559 -11.435 -4.715 445 1HG GLN 86 HG2 GLN 86 2.236 -11.326 -2.596 446 2HG GLN 86 HG1 GLN 86 0.847 -12.103 -1.835 447 1HE2 GLN 86 HE21 GLN 86 2.236 -14.102 -1.729 448 2HE2 GLN 86 HE22 GLN 86 2.395 -15.071 -3.114 449 H GLY 87 HN GLY 87 2.655 -8.660 -4.880 450 1HA GLY 87 HA2 GLY 87 2.184 -8.677 -7.500 451 2HA GLY 87 HA1 GLY 87 0.953 -7.508 -7.018 452 H ASP 88 HN ASP 88 3.695 -7.388 -8.513 453 HA ASP 88 HA ASP 88 5.050 -5.363 -6.819 454 1HB ASP 88 HB2 ASP 88 5.812 -7.020 -9.183 455 2HB ASP 88 HB1 ASP 88 6.597 -5.450 -9.005 456 H LYS 89 HN LYS 89 3.521 -3.638 -7.025 457 HA LYS 89 HA LYS 89 3.707 -2.230 -9.630 458 1HB LYS 89 HB2 LYS 89 1.318 -3.522 -8.615 459 2HB LYS 89 HB1 LYS 89 1.069 -1.782 -8.758 460 1HG LYS 89 HG2 LYS 89 1.531 -1.777 -11.064 461 2HG LYS 89 HG1 LYS 89 2.365 -3.329 -10.993 462 1HD LYS 89 HD2 LYS 89 0.383 -4.547 -10.904 463 2HD LYS 89 HD1 LYS 89 -0.534 -3.198 -10.231 464 1HE LYS 89 HE2 LYS 89 -0.909 -2.246 -12.288 465 2HE LYS 89 HE1 LYS 89 0.629 -2.806 -12.944 466 1HZ LYS 89 HZ1 LYS 89 -1.498 -3.897 -13.790 467 2HZ LYS 89 HZ2 LYS 89 -1.539 -4.702 -12.294 468 3HZ LYS 89 HZ3 LYS 89 -0.218 -4.916 -13.341 469 H ARG 90 HN ARG 90 5.174 -1.447 -7.511 470 HA ARG 90 HA ARG 90 3.876 0.285 -5.636 471 1HB ARG 90 HB2 ARG 90 6.142 -0.450 -5.212 472 2HB ARG 90 HB1 ARG 90 6.708 0.273 -6.718 473 1HG ARG 90 HG2 ARG 90 5.996 2.514 -5.842 474 2HG ARG 90 HG1 ARG 90 5.618 1.742 -4.301 475 1HD ARG 90 HD2 ARG 90 8.042 0.846 -4.376 476 2HD ARG 90 HD1 ARG 90 8.310 2.063 -5.624 477 HE ARG 90 HE ARG 90 7.063 3.283 -3.347 478 1HH1 ARG 90 HH21 ARG 90 9.081 1.772 -1.853 479 2HH1 ARG 90 HH22 ARG 90 10.489 2.775 -1.956 480 1HH2 ARG 90 HH11 ARG 90 9.285 4.650 -4.613 481 2HH2 ARG 90 HH12 ARG 90 10.605 4.405 -3.519 482 H ASP 91 HN ASP 91 5.288 0.874 -8.847 483 HA ASP 91 HA ASP 91 5.103 3.684 -8.915 484 1HB ASP 91 HB2 ASP 91 6.095 2.205 -10.705 485 2HB ASP 91 HB1 ASP 91 4.451 1.839 -11.230 486 H LEU 92 HN LEU 92 2.598 1.258 -9.661 487 HA LEU 92 HA LEU 92 0.586 3.271 -10.256 488 1HB LEU 92 HB2 LEU 92 0.397 1.041 -11.230 489 2HB LEU 92 HB1 LEU 92 0.344 0.314 -9.624 490 HG LEU 92 HG LEU 92 -1.651 2.431 -9.990 491 1HD1 LEU 92 HD11 LEU 92 -2.259 1.821 -12.094 492 2HD1 LEU 92 HD12 LEU 92 -2.963 0.409 -11.306 493 3HD1 LEU 92 HD13 LEU 92 -1.352 0.310 -12.016 494 1HD2 LEU 92 HD21 LEU 92 -3.046 0.851 -8.849 495 2HD2 LEU 92 HD22 LEU 92 -1.443 0.693 -8.129 496 3HD2 LEU 92 HD23 LEU 92 -2.004 -0.497 -9.304 497 H LEU 93 HN LEU 93 1.708 1.632 -7.379 498 HA LEU 93 HA LEU 93 -0.573 2.035 -5.714 499 1HB LEU 93 HB2 LEU 93 2.378 1.745 -5.178 500 2HB LEU 93 HB1 LEU 93 1.259 2.093 -3.860 501 HG LEU 93 HG LEU 93 0.761 -0.172 -5.791 502 1HD1 LEU 93 HD11 LEU 93 2.870 0.039 -3.833 503 2HD1 LEU 93 HD12 LEU 93 2.491 -1.309 -4.906 504 3HD1 LEU 93 HD13 LEU 93 1.713 -1.192 -3.328 505 1HD2 LEU 93 HD21 LEU 93 -1.139 -0.239 -4.570 506 2HD2 LEU 93 HD22 LEU 93 -0.521 0.965 -3.439 507 3HD2 LEU 93 HD23 LEU 93 -0.150 -0.742 -3.199 508 H LYS 94 HN LYS 94 2.237 4.120 -6.389 509 HA LYS 94 HA LYS 94 1.453 6.217 -4.585 510 1HB LYS 94 HB2 LYS 94 3.739 6.091 -5.420 511 2HB LYS 94 HB1 LYS 94 3.176 6.286 -7.080 512 1HG LYS 94 HG2 LYS 94 2.334 8.523 -6.569 513 2HG LYS 94 HG1 LYS 94 2.790 8.333 -4.876 514 1HD LYS 94 HD2 LYS 94 4.996 8.721 -5.292 515 2HD LYS 94 HD1 LYS 94 4.965 7.828 -6.813 516 1HE LYS 94 HE2 LYS 94 4.489 9.686 -8.042 517 2HE LYS 94 HE1 LYS 94 3.403 10.337 -6.814 518 1HZ LYS 94 HZ1 LYS 94 5.593 10.672 -5.502 519 2HZ LYS 94 HZ2 LYS 94 5.161 11.785 -6.711 520 3HZ LYS 94 HZ3 LYS 94 6.324 10.588 -7.030 521 H SER 95 HN SER 95 0.490 5.360 -7.834 522 HA SER 95 HA SER 95 -0.654 7.924 -8.527 523 1HB SER 95 HB2 SER 95 -0.081 5.782 -10.003 524 2HB SER 95 HB1 SER 95 -1.758 5.379 -9.649 525 HG SER 95 HG SER 95 -1.381 6.701 -11.568 526 H LEU 96 HN LEU 96 -2.294 4.838 -7.713 527 HA LEU 96 HA LEU 96 -4.867 5.933 -7.336 528 1HB LEU 96 HB2 LEU 96 -5.321 3.932 -5.945 529 2HB LEU 96 HB1 LEU 96 -4.449 3.509 -7.419 530 HG LEU 96 HG LEU 96 -2.316 3.855 -5.925 531 1HD1 LEU 96 HD11 LEU 96 -4.455 4.216 -4.044 532 2HD1 LEU 96 HD12 LEU 96 -2.717 4.297 -3.756 533 3HD1 LEU 96 HD13 LEU 96 -3.564 2.756 -3.616 534 1HD2 LEU 96 HD21 LEU 96 -2.375 1.663 -6.506 535 2HD2 LEU 96 HD22 LEU 96 -4.130 1.587 -6.350 536 3HD2 LEU 96 HD23 LEU 96 -3.109 1.395 -4.925 537 H LEU 97 HN LEU 97 -2.091 5.873 -5.172 538 HA LEU 97 HA LEU 97 -3.512 6.629 -2.785 539 1HB LEU 97 HB2 LEU 97 -0.950 5.861 -3.309 540 2HB LEU 97 HB1 LEU 97 -0.731 7.598 -3.094 541 HG LEU 97 HG LEU 97 -0.501 6.406 -0.944 542 1HD1 LEU 97 HD11 LEU 97 -1.797 7.911 0.299 543 2HD1 LEU 97 HD12 LEU 97 -3.149 7.831 -0.830 544 3HD1 LEU 97 HD13 LEU 97 -1.689 8.719 -1.265 545 1HD2 LEU 97 HD21 LEU 97 -2.751 4.964 -1.971 546 2HD2 LEU 97 HD22 LEU 97 -3.237 5.734 -0.461 547 3HD2 LEU 97 HD23 LEU 97 -1.843 4.654 -0.491 548 H GLU 98 HN GLU 98 -1.719 8.541 -5.217 549 HA GLU 98 HA GLU 98 -2.325 11.076 -3.977 550 1HB GLU 98 HB2 GLU 98 -0.602 10.301 -5.930 551 2HB GLU 98 HB1 GLU 98 -1.885 11.016 -6.909 552 1HG GLU 98 HG2 GLU 98 -1.038 13.043 -6.420 553 2HG GLU 98 HG1 GLU 98 -1.520 12.780 -4.744 554 H ALA 99 HN ALA 99 -4.181 8.896 -5.853 555 HA ALA 99 HA ALA 99 -5.928 10.801 -7.139 556 1HB ALA 99 HB1 ALA 99 -6.798 8.037 -6.318 557 2HB ALA 99 HB2 ALA 99 -5.614 8.252 -7.608 558 3HB ALA 99 HB3 ALA 99 -7.227 8.947 -7.767 559 H LYS 100 HN LYS 100 -5.550 9.853 -3.892 560 HA LYS 100 HA LYS 100 -8.352 10.333 -3.136 561 1HB LYS 100 HB2 LYS 100 -5.935 9.285 -1.851 562 2HB LYS 100 HB1 LYS 100 -6.852 10.368 -0.803 563 1HG LYS 100 HG2 LYS 100 -8.653 8.958 -0.692 564 2HG LYS 100 HG1 LYS 100 -8.440 8.389 -2.348 565 1HD LYS 100 HD2 LYS 100 -6.154 7.508 -0.975 566 2HD LYS 100 HD1 LYS 100 -7.498 7.200 0.125 567 1HE LYS 100 HE2 LYS 100 -7.271 5.257 -1.285 568 2HE LYS 100 HE1 LYS 100 -8.716 6.121 -1.811 569 1HZ LYS 100 HZ1 LYS 100 -6.159 6.798 -3.067 570 2HZ LYS 100 HZ2 LYS 100 -7.726 6.816 -3.722 571 3HZ LYS 100 HZ3 LYS 100 -6.905 5.343 -3.515 572 H GLY 101 HN GLY 101 -5.239 12.024 -2.977 573 1HA GLY 101 HA2 GLY 101 -5.143 14.454 -3.137 574 2HA GLY 101 HA1 GLY 101 -6.750 14.529 -2.413 575 H MET 102 HN MET 102 -4.430 12.336 -1.052 576 HA MET 102 HA MET 102 -4.077 14.221 1.246 577 1HB MET 102 HB2 MET 102 -4.088 12.304 2.735 578 2HB MET 102 HB1 MET 102 -5.534 12.228 1.727 579 1HG MET 102 HG2 MET 102 -3.737 10.864 0.179 580 2HG MET 102 HG1 MET 102 -3.195 10.427 1.799 581 1HE MET 102 HE1 MET 102 -4.053 8.551 3.017 582 2HE MET 102 HE2 MET 102 -3.691 7.966 1.395 583 3HE MET 102 HE3 MET 102 -5.144 7.408 2.220 584 H LYS 103 HN LYS 103 -2.120 13.016 2.656 585 HA LYS 103 HA LYS 103 0.198 13.282 0.859 586 1HB LYS 103 HB2 LYS 103 -0.306 13.814 3.593 587 2HB LYS 103 HB1 LYS 103 0.899 12.527 3.553 588 1HG LYS 103 HG2 LYS 103 2.304 13.851 2.044 589 2HG LYS 103 HG1 LYS 103 1.087 15.128 2.005 590 1HD LYS 103 HD2 LYS 103 1.372 15.548 4.380 591 2HD LYS 103 HD1 LYS 103 2.465 14.172 4.530 592 1HE LYS 103 HE2 LYS 103 4.173 15.241 3.300 593 2HE LYS 103 HE1 LYS 103 3.060 16.428 2.620 594 1HZ LYS 103 HZ1 LYS 103 4.349 16.369 5.229 595 2HZ LYS 103 HZ2 LYS 103 2.744 16.927 5.194 596 3HZ LYS 103 HZ3 LYS 103 3.933 17.693 4.252 597 H VAL 104 HN VAL 104 1.959 11.633 0.955 598 HA VAL 104 HA VAL 104 1.164 8.928 1.818 599 HB VAL 104 HB VAL 104 0.202 9.145 -0.464 600 1HG1 VAL 104 HG11 VAL 104 1.521 9.662 -2.348 601 2HG1 VAL 104 HG12 VAL 104 3.030 9.352 -1.489 602 3HG1 VAL 104 HG13 VAL 104 2.092 10.801 -1.129 603 1HG2 VAL 104 HG21 VAL 104 1.033 6.956 0.319 604 2HG2 VAL 104 HG22 VAL 104 2.643 7.347 -0.286 605 3HG2 VAL 104 HG23 VAL 104 1.303 7.141 -1.414 606 H LYS 105 HN LYS 105 2.994 7.474 1.877 607 HA LYS 105 HA LYS 105 5.634 8.789 1.395 608 1HB LYS 105 HB2 LYS 105 4.488 7.919 3.919 609 2HB LYS 105 HB1 LYS 105 5.987 7.054 3.575 610 1HG LYS 105 HG2 LYS 105 7.108 9.232 3.129 611 2HG LYS 105 HG1 LYS 105 5.618 10.064 3.576 612 1HD LYS 105 HD2 LYS 105 5.980 8.377 5.714 613 2HD LYS 105 HD1 LYS 105 7.642 8.794 5.296 614 1HE LYS 105 HE2 LYS 105 7.283 11.094 5.631 615 2HE LYS 105 HE1 LYS 105 5.532 10.934 5.493 616 1HZ LYS 105 HZ1 LYS 105 5.587 10.934 7.713 617 2HZ LYS 105 HZ2 LYS 105 7.242 10.556 7.784 618 3HZ LYS 105 HZ3 LYS 105 6.094 9.321 7.570 619 H LEU 106 HN LEU 106 5.882 7.531 -0.526 620 HA LEU 106 HA LEU 106 5.431 4.758 -0.788 621 1HB LEU 106 HB2 LEU 106 7.322 6.687 -2.108 622 2HB LEU 106 HB1 LEU 106 7.450 4.963 -2.460 623 HG LEU 106 HG LEU 106 5.956 6.142 -4.065 624 1HD1 LEU 106 HD11 LEU 106 3.852 4.617 -2.944 625 2HD1 LEU 106 HD12 LEU 106 5.349 3.809 -2.480 626 3HD1 LEU 106 HD13 LEU 106 4.999 4.107 -4.182 627 1HD2 LEU 106 HD21 LEU 106 3.812 7.023 -3.276 628 2HD2 LEU 106 HD22 LEU 106 5.129 7.843 -2.437 629 3HD2 LEU 106 HD23 LEU 106 4.214 6.578 -1.618 630 H ALA 107 HN ALA 107 8.071 6.488 0.753 631 HA ALA 107 HA ALA 107 9.681 5.651 2.261 632 1HB ALA 107 HB1 ALA 107 9.184 3.711 3.339 633 2HB ALA 107 HB2 ALA 107 9.059 2.800 1.834 634 3HB ALA 107 HB3 ALA 107 7.693 3.762 2.399 635 H GLY 108 HN GLY 108 11.259 6.270 0.646 636 1HA GLY 108 HA2 GLY 108 12.295 3.968 -0.961 637 2HA GLY 108 HA1 GLY 108 12.462 5.654 -1.454 638 H GLY 109 HN GLY 109 13.334 3.489 1.257 639 1HA GLY 109 HA2 GLY 109 15.565 5.253 1.999 640 2HA GLY 109 HA1 GLY 109 15.133 3.738 2.794 641 H LEU 110 HN LEU 110 17.589 3.491 2.624 642 HA LEU 110 HA LEU 110 18.166 1.786 0.304 643 1HB LEU 110 HB2 LEU 110 18.946 4.505 0.247 644 2HB LEU 110 HB1 LEU 110 20.409 3.580 0.589 645 HG LEU 110 HG LEU 110 18.522 2.698 -1.585 646 1HD1 LEU 110 HD11 LEU 110 19.248 4.266 -3.066 647 2HD1 LEU 110 HD12 LEU 110 20.883 4.269 -2.404 648 3HD1 LEU 110 HD13 LEU 110 19.614 5.210 -1.622 649 1HD2 LEU 110 HD21 LEU 110 21.338 2.383 -2.088 650 2HD2 LEU 110 HD22 LEU 110 20.115 1.131 -1.873 651 3HD2 LEU 110 HD23 LEU 110 20.971 1.778 -0.473 652 H GLU 111 HN GLU 111 20.053 0.454 0.680 653 HA GLU 111 HA GLU 111 21.013 0.540 3.514 654 1HB GLU 111 HB2 GLU 111 19.471 -1.431 2.566 655 2HB GLU 111 HB1 GLU 111 21.028 -2.027 1.989 656 1HG GLU 111 HG2 GLU 111 21.594 -1.230 4.580 657 2HG GLU 111 HG1 GLU 111 19.976 -1.917 4.722 Start of MODEL 11 1 HA LYS 29 HA LYS 29 -5.043 18.149 13.525 2 1HB LYS 29 HB2 LYS 29 -4.358 19.595 10.946 3 2HB LYS 29 HB1 LYS 29 -5.980 19.405 11.614 4 1HG LYS 29 HG2 LYS 29 -5.262 20.613 13.659 5 2HG LYS 29 HG1 LYS 29 -3.666 20.844 12.945 6 1HD LYS 29 HD2 LYS 29 -4.658 22.107 11.087 7 2HD LYS 29 HD1 LYS 29 -6.269 21.848 11.757 8 1HE LYS 29 HE2 LYS 29 -5.567 23.041 13.828 9 2HE LYS 29 HE1 LYS 29 -4.002 23.365 13.082 10 1HZ LYS 29 HZ1 LYS 29 -6.654 24.419 12.355 11 2HZ LYS 29 HZ2 LYS 29 -5.418 24.346 11.191 12 3HZ LYS 29 HZ3 LYS 29 -5.202 25.259 12.608 13 H GLY 30 HN GLY 30 -4.132 15.784 13.194 14 1HA GLY 30 HA2 GLY 30 -5.681 14.536 11.160 15 2HA GLY 30 HA1 GLY 30 -4.013 14.633 10.595 16 H ASP 31 HN ASP 31 -5.191 12.144 11.056 17 HA ASP 31 HA ASP 31 -3.350 11.059 13.052 18 1HB ASP 31 HB2 ASP 31 -5.542 11.836 14.249 19 2HB ASP 31 HB1 ASP 31 -6.255 10.410 13.494 20 H GLY 32 HN GLY 32 -2.872 10.280 10.721 21 1HA GLY 32 HA2 GLY 32 -3.424 7.540 10.469 22 2HA GLY 32 HA1 GLY 32 -4.637 8.365 9.490 23 H VAL 33 HN VAL 33 -1.678 6.942 9.288 24 HA VAL 33 HA VAL 33 -0.981 8.574 6.885 25 HB VAL 33 HB VAL 33 1.419 8.236 7.425 26 1HG1 VAL 33 HG11 VAL 33 0.350 9.420 9.933 27 2HG1 VAL 33 HG12 VAL 33 -0.243 10.120 8.427 28 3HG1 VAL 33 HG13 VAL 33 1.487 10.094 8.766 29 1HG2 VAL 33 HG21 VAL 33 1.868 6.528 8.843 30 2HG2 VAL 33 HG22 VAL 33 0.219 6.515 9.467 31 3HG2 VAL 33 HG23 VAL 33 1.408 7.630 10.140 32 H VAL 34 HN VAL 34 -1.224 7.239 5.163 33 HA VAL 34 HA VAL 34 -1.104 4.331 5.482 34 HB VAL 34 HB VAL 34 -1.411 6.050 2.999 35 1HG1 VAL 34 HG11 VAL 34 -0.707 3.976 2.176 36 2HG1 VAL 34 HG12 VAL 34 -2.459 3.773 2.219 37 3HG1 VAL 34 HG13 VAL 34 -1.460 3.085 3.500 38 1HG2 VAL 34 HG21 VAL 34 -3.576 6.265 3.589 39 2HG2 VAL 34 HG22 VAL 34 -3.189 5.517 5.139 40 3HG2 VAL 34 HG23 VAL 34 -3.728 4.519 3.789 41 H ARG 35 HN ARG 35 0.364 2.987 4.149 42 HA ARG 35 HA ARG 35 2.833 4.343 3.225 43 1HB ARG 35 HB2 ARG 35 2.617 2.956 5.732 44 2HB ARG 35 HB1 ARG 35 3.679 2.040 4.662 45 1HG ARG 35 HG2 ARG 35 5.265 3.693 4.593 46 2HG ARG 35 HG1 ARG 35 4.070 4.987 4.704 47 1HD ARG 35 HD2 ARG 35 4.985 5.144 6.819 48 2HD ARG 35 HD1 ARG 35 3.723 3.955 7.141 49 HE ARG 35 HE ARG 35 5.763 2.313 6.503 50 1HH1 ARG 35 HH11 ARG 35 5.003 4.161 9.153 51 2HH1 ARG 35 HH12 ARG 35 6.582 4.137 9.866 52 1HH2 ARG 35 HH21 ARG 35 8.102 2.713 7.094 53 2HH2 ARG 35 HH22 ARG 35 8.336 3.317 8.701 54 H ILE 36 HN ILE 36 3.464 3.426 1.328 55 HA ILE 36 HA ILE 36 2.713 0.579 0.827 56 HB ILE 36 HB ILE 36 2.591 2.736 -1.292 57 1HG1 ILE 36 HG12 ILE 36 -0.016 1.986 -0.757 58 2HG1 ILE 36 HG11 ILE 36 0.695 2.075 0.856 59 1HG2 ILE 36 HG21 ILE 36 2.853 0.348 -1.990 60 2HG2 ILE 36 HG22 ILE 36 1.325 1.052 -2.518 61 3HG2 ILE 36 HG23 ILE 36 1.363 -0.033 -1.128 62 1HD1 ILE 36 HD11 ILE 36 1.462 4.301 -0.912 63 2HD1 ILE 36 HD12 ILE 36 0.913 4.333 0.763 64 3HD1 ILE 36 HD13 ILE 36 -0.262 4.236 -0.548 65 H GLN 37 HN GLN 37 4.680 -0.417 0.752 66 HA GLN 37 HA GLN 37 6.706 0.702 -1.118 67 1HB GLN 37 HB2 GLN 37 8.508 0.289 0.489 68 2HB GLN 37 HB1 GLN 37 7.329 1.399 1.190 69 1HG GLN 37 HG2 GLN 37 6.709 -0.084 2.795 70 2HG GLN 37 HG1 GLN 37 6.733 -1.445 1.673 71 1HE2 GLN 37 HE21 GLN 37 7.922 -1.379 4.398 72 2HE2 GLN 37 HE22 GLN 37 9.582 -1.671 4.195 73 H ARG 38 HN ARG 38 8.229 -0.953 -1.873 74 HA ARG 38 HA ARG 38 6.965 -3.639 -1.878 75 1HB ARG 38 HB2 ARG 38 8.619 -4.076 -3.735 76 2HB ARG 38 HB1 ARG 38 7.486 -2.766 -4.073 77 1HG ARG 38 HG2 ARG 38 9.102 -1.129 -3.882 78 2HG ARG 38 HG1 ARG 38 10.061 -2.062 -2.732 79 1HD ARG 38 HD2 ARG 38 10.500 -3.675 -4.704 80 2HD ARG 38 HD1 ARG 38 9.914 -2.366 -5.730 81 HE ARG 38 HE ARG 38 11.828 -1.164 -4.112 82 1HH1 ARG 38 HH21 ARG 38 11.583 -2.871 -6.983 83 2HH1 ARG 38 HH22 ARG 38 13.275 -3.210 -7.136 84 1HH2 ARG 38 HH11 ARG 38 14.068 -2.027 -3.975 85 2HH2 ARG 38 HH12 ARG 38 14.682 -2.732 -5.433 86 H GLN 39 HN GLN 39 7.943 -5.399 -0.930 87 HA GLN 39 HA GLN 39 10.540 -4.885 0.455 88 1HB GLN 39 HB2 GLN 39 8.063 -6.099 1.296 89 2HB GLN 39 HB1 GLN 39 9.368 -7.281 1.409 90 1HG GLN 39 HG2 GLN 39 10.731 -5.568 2.639 91 2HG GLN 39 HG1 GLN 39 9.316 -4.515 2.646 92 1HE2 GLN 39 HE21 GLN 39 10.573 -5.638 5.050 93 2HE2 GLN 39 HE22 GLN 39 9.416 -6.634 5.791 94 H THR 40 HN THR 40 11.981 -5.502 -1.190 95 HA THR 40 HA THR 40 11.611 -7.940 -2.725 96 HB THR 40 HB THR 40 14.323 -6.737 -2.421 97 HG1 THR 40 HG1 THR 40 13.727 -4.958 -3.625 98 1HG2 THR 40 HG21 THR 40 14.581 -7.844 -4.358 99 2HG2 THR 40 HG22 THR 40 13.296 -6.886 -5.092 100 3HG2 THR 40 HG23 THR 40 12.906 -8.388 -4.254 101 H SER 41 HN SER 41 13.455 -9.642 -2.670 102 HA SER 41 HA SER 41 14.957 -10.068 -0.272 103 1HB SER 41 HB2 SER 41 12.170 -10.732 -0.091 104 2HB SER 41 HB1 SER 41 13.110 -12.221 -0.044 105 HG SER 41 HG SER 41 12.871 -11.272 2.030 106 H GLY 42 HN GLY 42 16.400 -10.565 -2.085 107 1HA GLY 42 HA2 GLY 42 17.418 -12.869 -2.624 108 2HA GLY 42 HA1 GLY 42 15.848 -13.216 -3.352 109 H ARG 43 HN ARG 43 17.351 -13.557 -5.290 110 HA ARG 43 HA ARG 43 17.944 -10.944 -6.617 111 1HB ARG 43 HB2 ARG 43 19.059 -13.683 -7.289 112 2HB ARG 43 HB1 ARG 43 19.566 -12.141 -7.979 113 1HG ARG 43 HG2 ARG 43 19.753 -11.771 -5.209 114 2HG ARG 43 HG1 ARG 43 20.389 -13.392 -5.488 115 1HD ARG 43 HD2 ARG 43 22.152 -12.633 -6.768 116 2HD ARG 43 HD1 ARG 43 21.260 -11.227 -7.350 117 HE ARG 43 HE ARG 43 21.674 -10.885 -4.564 118 1HH1 ARG 43 HH11 ARG 43 23.120 -10.598 -7.654 119 2HH1 ARG 43 HH12 ARG 43 24.551 -9.815 -7.072 120 1HH2 ARG 43 HH21 ARG 43 23.661 -10.091 -3.732 121 2HH2 ARG 43 HH22 ARG 43 24.858 -9.528 -4.851 122 H LYS 44 HN LYS 44 17.251 -14.265 -7.763 123 HA LYS 44 HA LYS 44 15.510 -13.088 -9.856 124 1HB LYS 44 HB2 LYS 44 16.154 -16.019 -9.551 125 2HB LYS 44 HB1 LYS 44 15.739 -15.131 -11.017 126 1HG LYS 44 HG2 LYS 44 17.868 -13.904 -10.895 127 2HG LYS 44 HG1 LYS 44 18.286 -14.763 -9.411 128 1HD LYS 44 HD2 LYS 44 18.271 -16.898 -10.602 129 2HD LYS 44 HD1 LYS 44 17.759 -16.092 -12.086 130 1HE LYS 44 HE2 LYS 44 19.844 -14.776 -12.097 131 2HE LYS 44 HE1 LYS 44 20.358 -15.573 -10.610 132 1HZ LYS 44 HZ1 LYS 44 19.584 -17.277 -12.851 133 2HZ LYS 44 HZ2 LYS 44 20.793 -17.505 -11.679 134 3HZ LYS 44 HZ3 LYS 44 21.059 -16.450 -12.984 135 H GLY 45 HN GLY 45 13.716 -12.540 -8.460 136 1HA GLY 45 HA2 GLY 45 11.934 -14.840 -7.974 137 2HA GLY 45 HA1 GLY 45 12.364 -13.892 -6.550 138 H LYS 46 HN LYS 46 9.969 -13.466 -6.520 139 HA LYS 46 HA LYS 46 9.179 -11.383 -8.509 140 1HB LYS 46 HB2 LYS 46 7.735 -13.529 -7.096 141 2HB LYS 46 HB1 LYS 46 6.898 -11.976 -7.094 142 1HG LYS 46 HG2 LYS 46 7.019 -11.840 -9.512 143 2HG LYS 46 HG1 LYS 46 8.027 -13.287 -9.583 144 1HD LYS 46 HD2 LYS 46 6.242 -14.694 -8.883 145 2HD LYS 46 HD1 LYS 46 5.265 -13.322 -8.358 146 1HE LYS 46 HE2 LYS 46 4.660 -12.747 -10.521 147 2HE LYS 46 HE1 LYS 46 6.116 -13.449 -11.226 148 1HZ LYS 46 HZ1 LYS 46 4.616 -15.456 -9.932 149 2HZ LYS 46 HZ2 LYS 46 5.043 -15.336 -11.572 150 3HZ LYS 46 HZ3 LYS 46 3.610 -14.617 -11.009 151 H GLY 47 HN GLY 47 8.008 -9.494 -7.643 152 1HA GLY 47 HA2 GLY 47 9.135 -8.682 -5.021 153 2HA GLY 47 HA1 GLY 47 8.428 -7.595 -6.217 154 H VAL 48 HN VAL 48 7.490 -7.122 -3.793 155 HA VAL 48 HA VAL 48 4.706 -8.089 -3.940 156 HB VAL 48 HB VAL 48 4.774 -8.596 -1.435 157 1HG1 VAL 48 HG11 VAL 48 5.647 -10.880 -1.807 158 2HG1 VAL 48 HG12 VAL 48 6.387 -10.347 -3.316 159 3HG1 VAL 48 HG13 VAL 48 4.631 -10.360 -3.151 160 1HG2 VAL 48 HG21 VAL 48 7.739 -8.917 -1.948 161 2HG2 VAL 48 HG22 VAL 48 6.887 -9.022 -0.407 162 3HG2 VAL 48 HG23 VAL 48 7.065 -7.463 -1.211 163 H CYS 49 HN CYS 49 3.253 -6.714 -2.713 164 HA CYS 49 HA CYS 49 4.513 -4.124 -1.898 165 1HB CYS 49 HB2 CYS 49 3.020 -4.206 -4.023 166 2HB CYS 49 HB1 CYS 49 1.677 -4.374 -2.892 167 HG CYS 49 HG CYS 49 3.629 -1.955 -2.596 168 H LEU 50 HN LEU 50 4.448 -4.059 0.302 169 HA LEU 50 HA LEU 50 2.144 -5.297 1.711 170 1HB LEU 50 HB2 LEU 50 4.763 -5.461 2.294 171 2HB LEU 50 HB1 LEU 50 4.374 -4.005 3.210 172 HG LEU 50 HG LEU 50 2.270 -5.832 3.697 173 1HD1 LEU 50 HD11 LEU 50 4.449 -7.319 2.897 174 2HD1 LEU 50 HD12 LEU 50 3.169 -7.900 3.963 175 3HD1 LEU 50 HD13 LEU 50 4.662 -7.258 4.647 176 1HD2 LEU 50 HD21 LEU 50 3.629 -4.044 5.122 177 2HD2 LEU 50 HD22 LEU 50 4.538 -5.470 5.622 178 3HD2 LEU 50 HD23 LEU 50 2.800 -5.385 5.913 179 H ILE 51 HN ILE 51 0.570 -4.049 2.636 180 HA ILE 51 HA ILE 51 1.098 -1.111 2.851 181 HB ILE 51 HB ILE 51 -1.396 -2.546 1.906 182 1HG1 ILE 51 HG12 ILE 51 0.095 -0.272 0.591 183 2HG1 ILE 51 HG11 ILE 51 0.580 -1.950 0.343 184 1HG2 ILE 51 HG21 ILE 51 -2.468 -0.334 1.855 185 2HG2 ILE 51 HG22 ILE 51 -1.022 0.395 2.553 186 3HG2 ILE 51 HG23 ILE 51 -1.982 -0.740 3.501 187 1HD1 ILE 51 HD11 ILE 51 -1.792 -2.450 -0.353 188 2HD1 ILE 51 HD12 ILE 51 -0.938 -1.356 -1.442 189 3HD1 ILE 51 HD13 ILE 51 -2.113 -0.717 -0.293 190 H THR 52 HN THR 52 1.115 -0.602 4.984 191 HA THR 52 HA THR 52 -1.103 -1.530 6.693 192 HB THR 52 HB THR 52 0.333 -3.303 7.244 193 HG1 THR 52 HG1 THR 52 0.622 -2.876 9.292 194 1HG2 THR 52 HG21 THR 52 2.469 -1.296 6.663 195 2HG2 THR 52 HG22 THR 52 2.324 -2.968 6.120 196 3HG2 THR 52 HG23 THR 52 2.849 -2.618 7.767 197 H GLY 53 HN GLY 53 -0.879 -0.425 8.927 198 1HA GLY 53 HA2 GLY 53 -0.024 1.445 10.226 199 2HA GLY 53 HA1 GLY 53 0.629 2.135 8.739 200 H VAL 54 HN VAL 54 -2.126 1.278 7.524 201 HA VAL 54 HA VAL 54 -3.330 3.840 7.533 202 HB VAL 54 HB VAL 54 -4.690 1.161 7.110 203 1HG1 VAL 54 HG11 VAL 54 -6.305 2.444 5.804 204 2HG1 VAL 54 HG12 VAL 54 -5.402 3.931 6.098 205 3HG1 VAL 54 HG13 VAL 54 -6.214 3.113 7.433 206 1HG2 VAL 54 HG21 VAL 54 -3.368 1.006 5.287 207 2HG2 VAL 54 HG22 VAL 54 -2.674 2.598 5.596 208 3HG2 VAL 54 HG23 VAL 54 -4.164 2.451 4.662 209 H ASP 55 HN ASP 55 -3.965 4.827 9.404 210 HA ASP 55 HA ASP 55 -5.113 3.244 11.605 211 1HB ASP 55 HB2 ASP 55 -3.526 5.305 11.800 212 2HB ASP 55 HB1 ASP 55 -4.989 6.253 11.528 213 H LEU 56 HN LEU 56 -7.018 2.564 10.287 214 HA LEU 56 HA LEU 56 -9.149 4.649 10.426 215 1HB LEU 56 HB2 LEU 56 -8.090 3.509 8.045 216 2HB LEU 56 HB1 LEU 56 -9.696 2.819 8.279 217 HG LEU 56 HG LEU 56 -9.876 4.899 7.004 218 1HD1 LEU 56 HD11 LEU 56 -10.778 5.481 9.831 219 2HD1 LEU 56 HD12 LEU 56 -11.567 4.268 8.822 220 3HD1 LEU 56 HD13 LEU 56 -11.557 5.960 8.323 221 1HD2 LEU 56 HD21 LEU 56 -7.730 5.723 8.533 222 2HD2 LEU 56 HD22 LEU 56 -9.061 6.654 9.220 223 3HD2 LEU 56 HD23 LEU 56 -8.696 6.776 7.499 224 H ASP 57 HN ASP 57 -11.330 3.696 10.623 225 HA ASP 57 HA ASP 57 -11.305 1.368 12.375 226 1HB ASP 57 HB2 ASP 57 -13.091 3.518 11.788 227 2HB ASP 57 HB1 ASP 57 -13.959 2.006 11.519 228 H ASP 58 HN ASP 58 -12.531 -0.611 11.941 229 HA ASP 58 HA ASP 58 -11.932 -1.878 9.516 230 1HB ASP 58 HB2 ASP 58 -13.570 -2.448 11.838 231 2HB ASP 58 HB1 ASP 58 -14.354 -3.031 10.369 232 H ALA 59 HN ALA 59 -13.915 -2.833 8.104 233 HA ALA 59 HA ALA 59 -15.699 -2.376 6.627 234 1HB ALA 59 HB1 ALA 59 -16.327 0.343 7.385 235 2HB ALA 59 HB2 ALA 59 -16.222 -0.677 8.820 236 3HB ALA 59 HB3 ALA 59 -17.329 -1.102 7.515 237 H GLU 60 HN GLU 60 -14.577 0.961 7.158 238 HA GLU 60 HA GLU 60 -14.299 1.578 4.419 239 1HB GLU 60 HB2 GLU 60 -12.962 2.707 6.884 240 2HB GLU 60 HB1 GLU 60 -12.665 3.367 5.276 241 1HG GLU 60 HG2 GLU 60 -15.500 3.009 5.664 242 2HG GLU 60 HG1 GLU 60 -14.834 3.957 6.994 243 H LEU 61 HN LEU 61 -11.973 0.137 6.672 244 HA LEU 61 HA LEU 61 -9.663 0.290 5.026 245 1HB LEU 61 HB2 LEU 61 -9.870 -0.511 7.475 246 2HB LEU 61 HB1 LEU 61 -10.279 -2.084 6.788 247 HG LEU 61 HG LEU 61 -8.055 -1.328 5.320 248 1HD1 LEU 61 HD11 LEU 61 -6.851 0.164 6.499 249 2HD1 LEU 61 HD12 LEU 61 -6.763 -0.991 7.829 250 3HD1 LEU 61 HD13 LEU 61 -8.077 0.184 7.766 251 1HD2 LEU 61 HD21 LEU 61 -8.103 -3.543 5.993 252 2HD2 LEU 61 HD22 LEU 61 -8.601 -3.141 7.637 253 3HD2 LEU 61 HD23 LEU 61 -6.923 -2.915 7.143 254 H THR 62 HN THR 62 -12.124 -2.297 5.262 255 HA THR 62 HA THR 62 -10.979 -3.979 3.261 256 HB THR 62 HB THR 62 -13.623 -4.530 3.026 257 HG1 THR 62 HG1 THR 62 -14.719 -3.556 4.505 258 1HG2 THR 62 HG21 THR 62 -12.570 -6.355 3.850 259 2HG2 THR 62 HG22 THR 62 -13.012 -5.728 5.438 260 3HG2 THR 62 HG23 THR 62 -11.420 -5.380 4.765 261 H LYS 63 HN LYS 63 -12.952 -1.091 3.052 262 HA LYS 63 HA LYS 63 -13.772 -1.433 0.308 263 1HB LYS 63 HB2 LYS 63 -14.787 0.186 1.976 264 2HB LYS 63 HB1 LYS 63 -13.354 1.192 1.761 265 1HG LYS 63 HG2 LYS 63 -13.821 1.235 -0.702 266 2HG LYS 63 HG1 LYS 63 -15.327 0.372 -0.389 267 1HD LYS 63 HD2 LYS 63 -16.164 2.189 0.970 268 2HD LYS 63 HD1 LYS 63 -14.609 3.021 0.896 269 1HE LYS 63 HE2 LYS 63 -14.866 3.206 -1.578 270 2HE LYS 63 HE1 LYS 63 -16.464 2.473 -1.440 271 1HZ LYS 63 HZ1 LYS 63 -16.098 4.650 0.376 272 2HZ LYS 63 HZ2 LYS 63 -17.339 4.380 -0.753 273 3HZ LYS 63 HZ3 LYS 63 -15.893 5.131 -1.237 274 H LEU 64 HN LEU 64 -11.140 0.495 1.790 275 HA LEU 64 HA LEU 64 -10.001 1.377 -0.669 276 1HB LEU 64 HB2 LEU 64 -9.423 1.685 2.050 277 2HB LEU 64 HB1 LEU 64 -8.003 0.871 1.393 278 HG LEU 64 HG LEU 64 -7.774 3.326 1.230 279 1HD1 LEU 64 HD11 LEU 64 -6.964 1.634 -0.579 280 2HD1 LEU 64 HD12 LEU 64 -6.968 3.351 -0.979 281 3HD1 LEU 64 HD13 LEU 64 -8.265 2.307 -1.562 282 1HD2 LEU 64 HD21 LEU 64 -10.503 3.196 0.579 283 2HD2 LEU 64 HD22 LEU 64 -9.706 3.709 -0.908 284 3HD2 LEU 64 HD23 LEU 64 -9.489 4.639 0.575 285 H ALA 65 HN ALA 65 -9.619 -1.615 1.163 286 HA ALA 65 HA ALA 65 -7.344 -2.623 -0.256 287 1HB ALA 65 HB1 ALA 65 -9.380 -3.680 1.585 288 2HB ALA 65 HB2 ALA 65 -7.655 -4.034 1.494 289 3HB ALA 65 HB3 ALA 65 -8.784 -4.871 0.429 290 H ALA 66 HN ALA 66 -10.841 -3.251 -0.723 291 HA ALA 66 HA ALA 66 -10.492 -4.807 -3.107 292 1HB ALA 66 HB1 ALA 66 -12.780 -3.370 -1.811 293 2HB ALA 66 HB2 ALA 66 -12.612 -5.082 -2.203 294 3HB ALA 66 HB3 ALA 66 -12.964 -3.916 -3.479 295 H GLU 67 HN GLU 67 -10.420 -1.394 -2.493 296 HA GLU 67 HA GLU 67 -11.065 -0.493 -5.152 297 1HB GLU 67 HB2 GLU 67 -10.406 0.704 -2.681 298 2HB GLU 67 HB1 GLU 67 -9.173 1.244 -3.821 299 1HG GLU 67 HG2 GLU 67 -11.571 1.383 -5.261 300 2HG GLU 67 HG1 GLU 67 -11.977 1.999 -3.659 301 H LEU 68 HN LEU 68 -7.898 -0.851 -3.505 302 HA LEU 68 HA LEU 68 -6.397 -0.424 -5.933 303 1HB LEU 68 HB2 LEU 68 -5.766 -1.406 -3.170 304 2HB LEU 68 HB1 LEU 68 -4.582 -1.662 -4.453 305 HG LEU 68 HG LEU 68 -5.246 0.940 -4.903 306 1HD1 LEU 68 HD11 LEU 68 -6.198 1.909 -3.109 307 2HD1 LEU 68 HD12 LEU 68 -4.876 1.349 -2.086 308 3HD1 LEU 68 HD13 LEU 68 -6.297 0.332 -2.327 309 1HD2 LEU 68 HD21 LEU 68 -3.148 1.447 -3.543 310 2HD2 LEU 68 HD22 LEU 68 -2.968 0.195 -4.773 311 3HD2 LEU 68 HD23 LEU 68 -3.146 -0.254 -3.077 312 H LYS 69 HN LYS 69 -7.984 -3.176 -4.538 313 HA LYS 69 HA LYS 69 -6.448 -5.217 -5.898 314 1HB LYS 69 HB2 LYS 69 -7.874 -5.693 -3.922 315 2HB LYS 69 HB1 LYS 69 -9.305 -5.313 -4.880 316 1HG LYS 69 HG2 LYS 69 -7.610 -7.216 -6.269 317 2HG LYS 69 HG1 LYS 69 -8.049 -7.814 -4.669 318 1HD LYS 69 HD2 LYS 69 -10.400 -6.666 -5.695 319 2HD LYS 69 HD1 LYS 69 -9.701 -7.571 -7.038 320 1HE LYS 69 HE2 LYS 69 -10.496 -9.459 -6.108 321 2HE LYS 69 HE1 LYS 69 -9.390 -9.207 -4.758 322 1HZ LYS 69 HZ1 LYS 69 -12.155 -8.153 -4.997 323 2HZ LYS 69 HZ2 LYS 69 -11.084 -7.779 -3.731 324 3HZ LYS 69 HZ3 LYS 69 -11.628 -9.375 -3.945 325 H LYS 70 HN LYS 70 -9.361 -3.362 -6.695 326 HA LYS 70 HA LYS 70 -9.998 -4.844 -9.084 327 1HB LYS 70 HB2 LYS 70 -11.283 -2.929 -7.636 328 2HB LYS 70 HB1 LYS 70 -10.702 -1.967 -8.995 329 1HG LYS 70 HG2 LYS 70 -11.968 -3.134 -10.544 330 2HG LYS 70 HG1 LYS 70 -11.983 -4.609 -9.575 331 1HD LYS 70 HD2 LYS 70 -13.518 -3.553 -7.968 332 2HD LYS 70 HD1 LYS 70 -13.488 -2.062 -8.910 333 1HE LYS 70 HE2 LYS 70 -14.364 -3.366 -10.874 334 2HE LYS 70 HE1 LYS 70 -14.551 -4.755 -9.803 335 1HZ LYS 70 HZ1 LYS 70 -16.607 -3.511 -9.988 336 2HZ LYS 70 HZ2 LYS 70 -15.832 -2.101 -9.443 337 3HZ LYS 70 HZ3 LYS 70 -16.009 -3.432 -8.403 338 H LYS 71 HN LYS 71 -7.492 -2.667 -8.335 339 HA LYS 71 HA LYS 71 -7.172 -1.497 -10.978 340 1HB LYS 71 HB2 LYS 71 -5.451 -1.653 -8.507 341 2HB LYS 71 HB1 LYS 71 -4.808 -1.009 -10.017 342 1HG LYS 71 HG2 LYS 71 -6.672 0.623 -10.102 343 2HG LYS 71 HG1 LYS 71 -7.269 0.002 -8.562 344 1HD LYS 71 HD2 LYS 71 -5.212 0.663 -7.442 345 2HD LYS 71 HD1 LYS 71 -4.501 1.167 -8.976 346 1HE LYS 71 HE2 LYS 71 -7.048 2.458 -8.661 347 2HE LYS 71 HE1 LYS 71 -6.086 2.724 -7.208 348 1HZ LYS 71 HZ1 LYS 71 -5.718 4.381 -8.999 349 2HZ LYS 71 HZ2 LYS 71 -5.066 3.142 -9.962 350 3HZ LYS 71 HZ3 LYS 71 -4.308 3.579 -8.505 351 H CYS 72 HN CYS 72 -6.238 -4.489 -9.477 352 HA CYS 72 HA CYS 72 -4.327 -5.042 -11.697 353 1HB CYS 72 HB2 CYS 72 -4.363 -5.690 -8.911 354 2HB CYS 72 HB1 CYS 72 -4.445 -7.196 -9.827 355 HG CYS 72 HG CYS 72 -2.139 -5.104 -10.087 356 H GLY 73 HN GLY 73 -7.325 -6.195 -10.215 357 1HA GLY 73 HA2 GLY 73 -9.021 -7.506 -11.213 358 2HA GLY 73 HA1 GLY 73 -8.069 -7.529 -12.700 359 H CYS 74 HN CYS 74 -6.786 -8.469 -9.570 360 HA CYS 74 HA CYS 74 -7.239 -11.216 -9.506 361 1HB CYS 74 HB2 CYS 74 -5.698 -10.527 -11.801 362 2HB CYS 74 HB1 CYS 74 -4.621 -11.351 -10.674 363 HG CYS 74 HG CYS 74 -5.738 -13.463 -11.302 364 H GLY 75 HN GLY 75 -5.872 -12.256 -7.931 365 1HA GLY 75 HA2 GLY 75 -4.385 -12.318 -6.112 366 2HA GLY 75 HA1 GLY 75 -3.466 -11.046 -6.916 367 H GLY 76 HN GLY 76 -5.018 -11.658 -4.122 368 1HA GLY 76 HA2 GLY 76 -5.097 -8.900 -3.321 369 2HA GLY 76 HA1 GLY 76 -6.734 -9.482 -3.621 370 H ALA 77 HN ALA 77 -3.944 -9.750 -1.532 371 HA ALA 77 HA ALA 77 -5.433 -11.653 0.218 372 1HB ALA 77 HB1 ALA 77 -3.175 -12.387 -0.285 373 2HB ALA 77 HB2 ALA 77 -3.217 -11.866 1.399 374 3HB ALA 77 HB3 ALA 77 -2.518 -10.814 0.169 375 H VAL 78 HN VAL 78 -6.457 -10.782 1.960 376 HA VAL 78 HA VAL 78 -5.568 -8.077 2.870 377 HB VAL 78 HB VAL 78 -7.852 -7.824 3.779 378 1HG1 VAL 78 HG11 VAL 78 -7.355 -8.436 0.895 379 2HG1 VAL 78 HG12 VAL 78 -7.829 -6.916 1.654 380 3HG1 VAL 78 HG13 VAL 78 -9.024 -8.190 1.409 381 1HG2 VAL 78 HG21 VAL 78 -8.952 -9.742 4.255 382 2HG2 VAL 78 HG22 VAL 78 -7.892 -10.688 3.211 383 3HG2 VAL 78 HG23 VAL 78 -9.292 -9.860 2.528 384 H LYS 79 HN LYS 79 -6.042 -7.736 5.299 385 HA LYS 79 HA LYS 79 -5.958 -10.138 6.967 386 1HB LYS 79 HB2 LYS 79 -3.505 -8.560 6.334 387 2HB LYS 79 HB1 LYS 79 -3.720 -9.090 8.003 388 1HG LYS 79 HG2 LYS 79 -4.221 -11.416 7.017 389 2HG LYS 79 HG1 LYS 79 -3.544 -10.790 5.513 390 1HD LYS 79 HD2 LYS 79 -1.406 -10.604 6.388 391 2HD LYS 79 HD1 LYS 79 -1.988 -10.407 8.042 392 1HE LYS 79 HE2 LYS 79 -1.426 -12.587 8.307 393 2HE LYS 79 HE1 LYS 79 -2.899 -12.928 7.400 394 1HZ LYS 79 HZ1 LYS 79 -0.401 -12.345 5.960 395 2HZ LYS 79 HZ2 LYS 79 -1.742 -13.261 5.461 396 3HZ LYS 79 HZ3 LYS 79 -0.654 -13.894 6.602 397 H ASP 80 HN ASP 80 -5.793 -9.470 9.334 398 HA ASP 80 HA ASP 80 -7.637 -7.346 9.867 399 1HB ASP 80 HB2 ASP 80 -5.734 -8.878 11.656 400 2HB ASP 80 HB1 ASP 80 -6.876 -7.682 12.271 401 H GLY 81 HN GLY 81 -6.984 -5.319 9.182 402 1HA GLY 81 HA2 GLY 81 -5.892 -3.247 9.447 403 2HA GLY 81 HA1 GLY 81 -4.959 -3.961 10.762 404 H VAL 82 HN VAL 82 -4.690 -6.006 8.154 405 HA VAL 82 HA VAL 82 -2.274 -4.576 7.125 406 HB VAL 82 HB VAL 82 -2.510 -7.522 7.808 407 1HG1 VAL 82 HG11 VAL 82 -0.247 -7.740 7.024 408 2HG1 VAL 82 HG12 VAL 82 -0.098 -5.998 6.791 409 3HG1 VAL 82 HG13 VAL 82 -1.157 -6.941 5.742 410 1HG2 VAL 82 HG21 VAL 82 -2.005 -6.637 9.861 411 2HG2 VAL 82 HG22 VAL 82 -1.394 -5.132 9.174 412 3HG2 VAL 82 HG23 VAL 82 -0.376 -6.572 9.189 413 H ILE 83 HN ILE 83 -1.943 -4.765 4.904 414 HA ILE 83 HA ILE 83 -3.846 -6.510 3.403 415 HB ILE 83 HB ILE 83 -3.093 -3.667 2.658 416 1HG1 ILE 83 HG12 ILE 83 -5.804 -4.691 3.526 417 2HG1 ILE 83 HG11 ILE 83 -4.653 -4.002 4.671 418 1HG2 ILE 83 HG21 ILE 83 -4.983 -5.699 1.436 419 2HG2 ILE 83 HG22 ILE 83 -3.523 -5.038 0.700 420 3HG2 ILE 83 HG23 ILE 83 -4.923 -3.999 0.970 421 1HD1 ILE 83 HD11 ILE 83 -5.109 -2.412 2.213 422 2HD1 ILE 83 HD12 ILE 83 -4.941 -1.878 3.886 423 3HD1 ILE 83 HD13 ILE 83 -6.482 -2.518 3.315 424 H GLU 84 HN GLU 84 -3.054 -7.059 1.220 425 HA GLU 84 HA GLU 84 -0.193 -6.502 0.700 426 1HB GLU 84 HB2 GLU 84 -0.601 -8.683 2.129 427 2HB GLU 84 HB1 GLU 84 -1.089 -9.365 0.577 428 1HG GLU 84 HG2 GLU 84 1.116 -8.411 -0.344 429 2HG GLU 84 HG1 GLU 84 1.589 -8.197 1.342 430 H ILE 85 HN ILE 85 0.245 -6.477 -1.498 431 HA ILE 85 HA ILE 85 -1.665 -7.732 -3.372 432 HB ILE 85 HB ILE 85 -1.156 -4.751 -3.222 433 1HG1 ILE 85 HG12 ILE 85 -3.697 -6.408 -3.356 434 2HG1 ILE 85 HG11 ILE 85 -3.036 -5.683 -1.889 435 1HG2 ILE 85 HG21 ILE 85 -2.393 -4.618 -5.375 436 2HG2 ILE 85 HG22 ILE 85 -2.372 -6.379 -5.476 437 3HG2 ILE 85 HG23 ILE 85 -0.860 -5.473 -5.548 438 1HD1 ILE 85 HD11 ILE 85 -4.116 -4.269 -4.334 439 2HD1 ILE 85 HD12 ILE 85 -3.137 -3.444 -3.122 440 3HD1 ILE 85 HD13 ILE 85 -4.689 -4.149 -2.670 441 H GLN 86 HN GLN 86 -0.099 -8.984 -4.349 442 HA GLN 86 HA GLN 86 2.603 -8.338 -4.771 443 1HB GLN 86 HB2 GLN 86 0.658 -10.185 -6.084 444 2HB GLN 86 HB1 GLN 86 2.184 -9.881 -6.915 445 1HG GLN 86 HG2 GLN 86 3.462 -10.642 -5.034 446 2HG GLN 86 HG1 GLN 86 2.033 -10.678 -3.999 447 1HE2 GLN 86 HE21 GLN 86 3.836 -12.965 -4.703 448 2HE2 GLN 86 HE22 GLN 86 2.838 -14.125 -5.436 449 H GLY 87 HN GLY 87 3.285 -6.474 -5.728 450 1HA GLY 87 HA2 GLY 87 2.456 -5.938 -8.499 451 2HA GLY 87 HA1 GLY 87 2.040 -4.676 -7.338 452 H ASP 88 HN ASP 88 3.633 -3.610 -9.033 453 HA ASP 88 HA ASP 88 6.218 -3.384 -7.646 454 1HB ASP 88 HB2 ASP 88 5.975 -5.070 -9.907 455 2HB ASP 88 HB1 ASP 88 6.789 -3.608 -10.465 456 H LYS 89 HN LYS 89 4.220 -1.490 -7.792 457 HA LYS 89 HA LYS 89 5.488 0.548 -9.558 458 1HB LYS 89 HB2 LYS 89 2.680 -0.407 -9.604 459 2HB LYS 89 HB1 LYS 89 2.891 1.344 -9.644 460 1HG LYS 89 HG2 LYS 89 4.417 1.132 -11.561 461 2HG LYS 89 HG1 LYS 89 4.245 -0.623 -11.514 462 1HD LYS 89 HD2 LYS 89 1.868 -0.452 -12.008 463 2HD LYS 89 HD1 LYS 89 1.944 1.308 -11.922 464 1HE LYS 89 HE2 LYS 89 3.404 1.398 -13.856 465 2HE LYS 89 HE1 LYS 89 3.531 -0.361 -13.892 466 1HZ LYS 89 HZ1 LYS 89 1.728 -0.411 -15.148 467 2HZ LYS 89 HZ2 LYS 89 1.568 1.278 -15.057 468 3HZ LYS 89 HZ3 LYS 89 0.824 0.288 -13.894 469 H ARG 90 HN ARG 90 6.018 0.281 -6.841 470 HA ARG 90 HA ARG 90 4.372 1.620 -5.012 471 1HB ARG 90 HB2 ARG 90 6.363 2.074 -3.727 472 2HB ARG 90 HB1 ARG 90 6.592 0.513 -4.517 473 1HG ARG 90 HG2 ARG 90 7.856 1.638 -6.333 474 2HG ARG 90 HG1 ARG 90 7.670 3.176 -5.490 475 1HD ARG 90 HD2 ARG 90 8.969 2.408 -3.624 476 2HD ARG 90 HD1 ARG 90 8.949 0.747 -4.215 477 HE ARG 90 HE ARG 90 10.151 2.358 -6.220 478 1HH1 ARG 90 HH11 ARG 90 10.757 2.324 -2.895 479 2HH1 ARG 90 HH12 ARG 90 12.434 1.915 -3.037 480 1HH2 ARG 90 HH21 ARG 90 12.288 1.381 -6.460 481 2HH2 ARG 90 HH22 ARG 90 13.301 1.381 -5.055 482 H ASP 91 HN ASP 91 6.609 3.007 -7.402 483 HA ASP 91 HA ASP 91 6.531 5.704 -6.647 484 1HB ASP 91 HB2 ASP 91 6.971 6.238 -8.993 485 2HB ASP 91 HB1 ASP 91 7.877 4.793 -8.540 486 H LEU 92 HN LEU 92 4.181 3.926 -8.662 487 HA LEU 92 HA LEU 92 2.452 6.197 -9.064 488 1HB LEU 92 HB2 LEU 92 2.267 4.319 -10.567 489 2HB LEU 92 HB1 LEU 92 1.954 3.212 -9.229 490 HG LEU 92 HG LEU 92 0.120 5.529 -9.407 491 1HD1 LEU 92 HD11 LEU 92 -0.572 3.311 -11.250 492 2HD1 LEU 92 HD12 LEU 92 0.699 4.398 -11.810 493 3HD1 LEU 92 HD13 LEU 92 -0.891 5.039 -11.398 494 1HD2 LEU 92 HD21 LEU 92 -0.863 4.110 -7.948 495 2HD2 LEU 92 HD22 LEU 92 0.209 2.790 -8.416 496 3HD2 LEU 92 HD23 LEU 92 -1.266 3.096 -9.334 497 H LEU 93 HN LEU 93 2.337 3.451 -6.777 498 HA LEU 93 HA LEU 93 -0.049 4.136 -5.442 499 1HB LEU 93 HB2 LEU 93 2.493 2.909 -4.332 500 2HB LEU 93 HB1 LEU 93 0.955 2.958 -3.468 501 HG LEU 93 HG LEU 93 1.042 1.834 -6.251 502 1HD1 LEU 93 HD11 LEU 93 2.148 -0.048 -5.663 503 2HD1 LEU 93 HD12 LEU 93 1.272 -0.173 -4.137 504 3HD1 LEU 93 HD13 LEU 93 2.705 0.849 -4.251 505 1HD2 LEU 93 HD21 LEU 93 -1.030 1.052 -5.710 506 2HD2 LEU 93 HD22 LEU 93 -0.964 2.266 -4.433 507 3HD2 LEU 93 HD23 LEU 93 -0.534 0.592 -4.082 508 H LYS 94 HN LYS 94 3.082 5.660 -5.340 509 HA LYS 94 HA LYS 94 2.858 7.026 -2.846 510 1HB LYS 94 HB2 LYS 94 4.889 6.869 -4.433 511 2HB LYS 94 HB1 LYS 94 4.153 8.218 -5.300 512 1HG LYS 94 HG2 LYS 94 4.034 8.904 -2.564 513 2HG LYS 94 HG1 LYS 94 5.654 8.258 -2.831 514 1HD LYS 94 HD2 LYS 94 5.329 9.817 -5.057 515 2HD LYS 94 HD1 LYS 94 4.429 10.741 -3.854 516 1HE LYS 94 HE2 LYS 94 6.583 10.190 -2.371 517 2HE LYS 94 HE1 LYS 94 7.342 10.098 -3.960 518 1HZ LYS 94 HZ1 LYS 94 7.363 12.346 -2.930 519 2HZ LYS 94 HZ2 LYS 94 5.669 12.379 -3.066 520 3HZ LYS 94 HZ3 LYS 94 6.635 12.293 -4.461 521 H SER 95 HN SER 95 2.338 8.460 -6.092 522 HA SER 95 HA SER 95 0.920 10.731 -5.069 523 1HB SER 95 HB2 SER 95 1.848 10.939 -7.252 524 2HB SER 95 HB1 SER 95 1.077 9.455 -7.805 525 HG SER 95 HG SER 95 -0.514 11.545 -6.827 526 H LEU 96 HN LEU 96 -0.032 7.468 -5.577 527 HA LEU 96 HA LEU 96 -2.832 7.873 -6.078 528 1HB LEU 96 HB2 LEU 96 -1.923 5.694 -6.496 529 2HB LEU 96 HB1 LEU 96 -1.283 5.577 -4.856 530 HG LEU 96 HG LEU 96 -4.196 6.069 -5.041 531 1HD1 LEU 96 HD11 LEU 96 -2.898 3.860 -6.468 532 2HD1 LEU 96 HD12 LEU 96 -4.567 4.425 -6.555 533 3HD1 LEU 96 HD13 LEU 96 -4.079 3.311 -5.278 534 1HD2 LEU 96 HD21 LEU 96 -3.932 4.025 -3.367 535 2HD2 LEU 96 HD22 LEU 96 -3.481 5.655 -2.868 536 3HD2 LEU 96 HD23 LEU 96 -2.238 4.515 -3.385 537 H LEU 97 HN LEU 97 -1.127 7.038 -3.035 538 HA LEU 97 HA LEU 97 -3.467 7.493 -1.406 539 1HB LEU 97 HB2 LEU 97 -0.838 6.498 -1.023 540 2HB LEU 97 HB1 LEU 97 -1.031 7.856 0.086 541 HG LEU 97 HG LEU 97 -1.787 5.765 1.143 542 1HD1 LEU 97 HD11 LEU 97 -2.951 7.706 1.897 543 2HD1 LEU 97 HD12 LEU 97 -4.200 6.502 1.579 544 3HD1 LEU 97 HD13 LEU 97 -3.907 7.796 0.417 545 1HD2 LEU 97 HD21 LEU 97 -3.275 4.299 0.165 546 2HD2 LEU 97 HD22 LEU 97 -2.560 4.967 -1.302 547 3HD2 LEU 97 HD23 LEU 97 -4.110 5.575 -0.721 548 H GLU 98 HN GLU 98 -0.678 9.486 -2.325 549 HA GLU 98 HA GLU 98 -1.257 11.686 -0.584 550 1HB GLU 98 HB2 GLU 98 0.650 11.077 -2.593 551 2HB GLU 98 HB1 GLU 98 -0.114 12.596 -3.065 552 1HG GLU 98 HG2 GLU 98 0.226 13.248 -0.552 553 2HG GLU 98 HG1 GLU 98 1.427 11.956 -0.564 554 H ALA 99 HN ALA 99 -2.776 10.561 -3.469 555 HA ALA 99 HA ALA 99 -3.872 13.051 -4.397 556 1HB ALA 99 HB1 ALA 99 -4.345 11.578 -6.049 557 2HB ALA 99 HB2 ALA 99 -5.735 11.104 -5.072 558 3HB ALA 99 HB3 ALA 99 -4.226 10.199 -4.956 559 H LYS 100 HN LYS 100 -4.853 10.752 -1.917 560 HA LYS 100 HA LYS 100 -7.472 12.000 -1.535 561 1HB LYS 100 HB2 LYS 100 -5.906 9.969 0.082 562 2HB LYS 100 HB1 LYS 100 -7.523 10.525 0.516 563 1HG LYS 100 HG2 LYS 100 -8.399 9.014 -0.900 564 2HG LYS 100 HG1 LYS 100 -7.598 9.836 -2.239 565 1HD LYS 100 HD2 LYS 100 -5.732 8.420 -2.165 566 2HD LYS 100 HD1 LYS 100 -6.051 7.929 -0.501 567 1HE LYS 100 HE2 LYS 100 -6.745 6.053 -1.732 568 2HE LYS 100 HE1 LYS 100 -8.254 6.927 -1.470 569 1HZ LYS 100 HZ1 LYS 100 -7.325 8.052 -3.727 570 2HZ LYS 100 HZ2 LYS 100 -8.452 6.783 -3.676 571 3HZ LYS 100 HZ3 LYS 100 -6.804 6.450 -3.916 572 H GLY 101 HN GLY 101 -4.267 12.667 -0.546 573 1HA GLY 101 HA2 GLY 101 -3.749 14.779 0.554 574 2HA GLY 101 HA1 GLY 101 -5.312 14.696 1.368 575 H MET 102 HN MET 102 -4.503 11.658 1.695 576 HA MET 102 HA MET 102 -3.664 11.895 4.430 577 1HB MET 102 HB2 MET 102 -3.707 9.562 2.500 578 2HB MET 102 HB1 MET 102 -3.220 9.397 4.188 579 1HG MET 102 HG2 MET 102 -5.567 10.810 4.414 580 2HG MET 102 HG1 MET 102 -5.906 9.758 3.040 581 1HE MET 102 HE1 MET 102 -6.611 7.886 2.997 582 2HE MET 102 HE2 MET 102 -6.966 6.739 4.287 583 3HE MET 102 HE3 MET 102 -5.402 6.688 3.477 584 H LYS 103 HN LYS 103 -1.603 11.494 5.357 585 HA LYS 103 HA LYS 103 0.654 12.201 3.626 586 1HB LYS 103 HB2 LYS 103 0.342 11.679 6.584 587 2HB LYS 103 HB1 LYS 103 1.932 11.888 5.849 588 1HG LYS 103 HG2 LYS 103 1.598 14.118 5.426 589 2HG LYS 103 HG1 LYS 103 -0.132 13.912 5.147 590 1HD LYS 103 HD2 LYS 103 -0.148 13.329 7.732 591 2HD LYS 103 HD1 LYS 103 1.340 14.277 7.729 592 1HE LYS 103 HE2 LYS 103 -0.161 15.952 6.296 593 2HE LYS 103 HE1 LYS 103 -1.464 15.147 7.170 594 1HZ LYS 103 HZ1 LYS 103 -0.749 17.015 8.438 595 2HZ LYS 103 HZ2 LYS 103 0.880 16.542 8.340 596 3HZ LYS 103 HZ3 LYS 103 -0.223 15.618 9.244 597 H VAL 104 HN VAL 104 1.660 10.643 2.454 598 HA VAL 104 HA VAL 104 1.733 7.873 3.574 599 HB VAL 104 HB VAL 104 0.617 7.968 1.417 600 1HG1 VAL 104 HG11 VAL 104 2.351 8.706 -0.513 601 2HG1 VAL 104 HG12 VAL 104 2.916 9.750 0.791 602 3HG1 VAL 104 HG13 VAL 104 1.240 9.844 0.250 603 1HG2 VAL 104 HG21 VAL 104 3.450 6.984 0.969 604 2HG2 VAL 104 HG22 VAL 104 1.982 6.396 0.190 605 3HG2 VAL 104 HG23 VAL 104 2.249 6.096 1.907 606 H LYS 105 HN LYS 105 3.758 6.697 3.364 607 HA LYS 105 HA LYS 105 6.131 8.496 3.065 608 1HB LYS 105 HB2 LYS 105 5.311 7.184 5.378 609 2HB LYS 105 HB1 LYS 105 6.567 6.131 4.727 610 1HG LYS 105 HG2 LYS 105 7.596 8.703 4.388 611 2HG LYS 105 HG1 LYS 105 6.825 8.753 5.974 612 1HD LYS 105 HD2 LYS 105 8.050 6.690 6.615 613 2HD LYS 105 HD1 LYS 105 8.858 6.702 5.047 614 1HE LYS 105 HE2 LYS 105 10.442 7.852 6.259 615 2HE LYS 105 HE1 LYS 105 9.419 9.213 5.798 616 1HZ LYS 105 HZ1 LYS 105 8.179 8.377 7.997 617 2HZ LYS 105 HZ2 LYS 105 9.395 9.564 8.002 618 3HZ LYS 105 HZ3 LYS 105 9.775 7.954 8.388 619 H LEU 106 HN LEU 106 6.455 7.853 0.873 620 HA LEU 106 HA LEU 106 6.418 5.222 -0.137 621 1HB LEU 106 HB2 LEU 106 6.734 7.400 -1.437 622 2HB LEU 106 HB1 LEU 106 8.435 7.316 -0.977 623 HG LEU 106 HG LEU 106 8.491 4.987 -1.963 624 1HD1 LEU 106 HD11 LEU 106 6.457 4.080 -2.363 625 2HD1 LEU 106 HD12 LEU 106 6.415 5.099 -3.801 626 3HD1 LEU 106 HD13 LEU 106 5.660 5.652 -2.307 627 1HD2 LEU 106 HD21 LEU 106 8.643 5.792 -4.276 628 2HD2 LEU 106 HD22 LEU 106 9.312 7.000 -3.180 629 3HD2 LEU 106 HD23 LEU 106 7.699 7.222 -3.859 630 H ALA 107 HN ALA 107 7.339 3.748 1.351 631 HA ALA 107 HA ALA 107 10.013 4.119 2.420 632 1HB ALA 107 HB1 ALA 107 9.143 1.349 2.352 633 2HB ALA 107 HB2 ALA 107 7.849 2.401 2.927 634 3HB ALA 107 HB3 ALA 107 9.412 2.396 3.746 635 H GLY 108 HN GLY 108 11.161 1.571 1.979 636 1HA GLY 108 HA2 GLY 108 12.148 0.214 0.275 637 2HA GLY 108 HA1 GLY 108 11.389 1.239 -0.945 638 H GLY 109 HN GLY 109 14.291 0.573 0.683 639 1HA GLY 109 HA2 GLY 109 16.430 1.508 0.406 640 2HA GLY 109 HA1 GLY 109 15.749 2.524 -0.866 641 H LEU 110 HN LEU 110 15.600 2.215 2.701 642 HA LEU 110 HA LEU 110 16.449 4.936 3.116 643 1HB LEU 110 HB2 LEU 110 13.806 4.775 2.340 644 2HB LEU 110 HB1 LEU 110 13.684 4.768 4.100 645 HG LEU 110 HG LEU 110 15.648 6.706 3.378 646 1HD1 LEU 110 HD11 LEU 110 13.684 6.405 1.344 647 2HD1 LEU 110 HD12 LEU 110 14.889 7.684 1.500 648 3HD1 LEU 110 HD13 LEU 110 13.293 7.882 2.225 649 1HD2 LEU 110 HD21 LEU 110 13.888 8.240 4.394 650 2HD2 LEU 110 HD22 LEU 110 14.354 6.867 5.397 651 3HD2 LEU 110 HD23 LEU 110 12.836 6.828 4.500 652 H GLU 111 HN GLU 111 14.148 2.642 4.640 653 HA GLU 111 HA GLU 111 16.043 2.425 6.927 654 1HB GLU 111 HB2 GLU 111 13.139 3.242 7.040 655 2HB GLU 111 HB1 GLU 111 13.936 2.494 8.425 656 1HG GLU 111 HG2 GLU 111 15.762 4.286 8.118 657 2HG GLU 111 HG1 GLU 111 14.603 5.111 7.075 Start of MODEL 12 1 HA LYS 29 HA LYS 29 -3.658 19.236 6.550 2 1HB LYS 29 HB2 LYS 29 -3.339 18.691 9.499 3 2HB LYS 29 HB1 LYS 29 -2.751 20.194 8.786 4 1HG LYS 29 HG2 LYS 29 -5.035 20.574 7.831 5 2HG LYS 29 HG1 LYS 29 -5.595 19.147 8.704 6 1HD LYS 29 HD2 LYS 29 -5.173 20.150 10.823 7 2HD LYS 29 HD1 LYS 29 -4.220 21.447 10.102 8 1HE LYS 29 HE2 LYS 29 -6.277 22.234 8.915 9 2HE LYS 29 HE1 LYS 29 -7.203 21.010 9.783 10 1HZ LYS 29 HZ1 LYS 29 -7.120 22.171 11.681 11 2HZ LYS 29 HZ2 LYS 29 -6.796 23.498 10.671 12 3HZ LYS 29 HZ3 LYS 29 -5.520 22.681 11.440 13 H GLY 30 HN GLY 30 -1.986 18.040 5.211 14 1HA GLY 30 HA2 GLY 30 0.557 18.989 5.399 15 2HA GLY 30 HA1 GLY 30 0.624 17.605 6.491 16 H ASP 31 HN ASP 31 2.007 17.967 3.903 17 HA ASP 31 HA ASP 31 0.812 16.524 1.788 18 1HB ASP 31 HB2 ASP 31 3.211 15.952 1.158 19 2HB ASP 31 HB1 ASP 31 2.882 17.671 1.381 20 H GLY 32 HN GLY 32 -0.288 14.657 2.415 21 1HA GLY 32 HA2 GLY 32 0.650 12.731 4.289 22 2HA GLY 32 HA1 GLY 32 -0.540 12.406 3.028 23 H VAL 33 HN VAL 33 1.638 10.648 3.900 24 HA VAL 33 HA VAL 33 2.908 10.278 1.239 25 HB VAL 33 HB VAL 33 5.099 9.833 2.307 26 1HG1 VAL 33 HG11 VAL 33 4.073 12.234 1.648 27 2HG1 VAL 33 HG12 VAL 33 5.703 12.050 2.297 28 3HG1 VAL 33 HG13 VAL 33 4.378 12.523 3.361 29 1HG2 VAL 33 HG21 VAL 33 4.999 11.013 4.778 30 2HG2 VAL 33 HG22 VAL 33 4.926 9.271 4.510 31 3HG2 VAL 33 HG23 VAL 33 3.438 10.194 4.725 32 H VAL 34 HN VAL 34 1.830 8.365 0.799 33 HA VAL 34 HA VAL 34 1.633 6.288 2.887 34 HB VAL 34 HB VAL 34 0.789 6.068 -0.011 35 1HG1 VAL 34 HG11 VAL 34 -0.937 4.790 1.877 36 2HG1 VAL 34 HG12 VAL 34 0.723 4.332 2.259 37 3HG1 VAL 34 HG13 VAL 34 0.076 4.038 0.645 38 1HG2 VAL 34 HG21 VAL 34 -1.508 6.700 1.031 39 2HG2 VAL 34 HG22 VAL 34 -0.366 8.002 0.696 40 3HG2 VAL 34 HG23 VAL 34 -0.555 7.397 2.341 41 H ARG 35 HN ARG 35 2.622 4.210 2.675 42 HA ARG 35 HA ARG 35 4.806 4.071 0.635 43 1HB ARG 35 HB2 ARG 35 4.936 3.154 3.526 44 2HB ARG 35 HB1 ARG 35 6.222 2.974 2.331 45 1HG ARG 35 HG2 ARG 35 6.460 5.372 2.127 46 2HG ARG 35 HG1 ARG 35 5.041 5.645 3.139 47 1HD ARG 35 HD2 ARG 35 6.160 4.717 5.073 48 2HD ARG 35 HD1 ARG 35 7.532 4.206 4.090 49 HE ARG 35 HE ARG 35 7.962 6.676 3.704 50 1HH1 ARG 35 HH21 ARG 35 5.228 6.983 5.354 51 2HH1 ARG 35 HH22 ARG 35 5.874 7.746 6.769 52 1HH2 ARG 35 HH11 ARG 35 9.173 7.049 5.961 53 2HH2 ARG 35 HH12 ARG 35 8.107 7.783 7.113 54 H ILE 36 HN ILE 36 4.450 2.354 -0.677 55 HA ILE 36 HA ILE 36 3.063 -0.029 0.489 56 HB ILE 36 HB ILE 36 3.078 0.719 -2.440 57 1HG1 ILE 36 HG12 ILE 36 0.545 1.268 -1.315 58 2HG1 ILE 36 HG11 ILE 36 1.722 2.045 -0.256 59 1HG2 ILE 36 HG21 ILE 36 2.221 -1.390 -2.448 60 2HG2 ILE 36 HG22 ILE 36 0.750 -0.603 -1.874 61 3HG2 ILE 36 HG23 ILE 36 1.857 -1.351 -0.722 62 1HD1 ILE 36 HD11 ILE 36 1.168 3.627 -1.988 63 2HD1 ILE 36 HD12 ILE 36 1.422 2.418 -3.247 64 3HD1 ILE 36 HD13 ILE 36 2.794 3.031 -2.323 65 H GLN 37 HN GLN 37 4.442 -1.720 0.688 66 HA GLN 37 HA GLN 37 6.273 -2.373 -1.523 67 1HB GLN 37 HB2 GLN 37 8.264 -2.457 -0.065 68 2HB GLN 37 HB1 GLN 37 7.612 -0.820 -0.145 69 1HG GLN 37 HG2 GLN 37 7.110 -0.800 2.060 70 2HG GLN 37 HG1 GLN 37 6.406 -2.416 1.995 71 1HE2 GLN 37 HE21 GLN 37 7.721 -2.425 4.198 72 2HE2 GLN 37 HE22 GLN 37 9.318 -2.991 4.094 73 H ARG 38 HN ARG 38 7.553 -4.471 -0.806 74 HA ARG 38 HA ARG 38 5.548 -6.244 0.512 75 1HB ARG 38 HB2 ARG 38 6.872 -8.084 -0.616 76 2HB ARG 38 HB1 ARG 38 6.076 -6.968 -1.727 77 1HG ARG 38 HG2 ARG 38 8.048 -6.105 -2.483 78 2HG ARG 38 HG1 ARG 38 8.806 -6.184 -0.892 79 1HD ARG 38 HD2 ARG 38 9.532 -8.354 -1.190 80 2HD ARG 38 HD1 ARG 38 8.195 -8.766 -2.263 81 HE ARG 38 HE ARG 38 10.280 -6.897 -3.263 82 1HH1 ARG 38 HH11 ARG 38 8.167 -8.142 -5.015 83 2HH1 ARG 38 HH12 ARG 38 9.046 -9.429 -5.769 84 1HH2 ARG 38 HH21 ARG 38 11.654 -9.341 -3.485 85 2HH2 ARG 38 HH22 ARG 38 11.020 -10.108 -4.903 86 H GLN 39 HN GLN 39 6.138 -7.454 2.309 87 HA GLN 39 HA GLN 39 8.947 -7.102 3.281 88 1HB GLN 39 HB2 GLN 39 6.633 -6.089 4.474 89 2HB GLN 39 HB1 GLN 39 6.992 -7.548 5.398 90 1HG GLN 39 HG2 GLN 39 9.488 -6.482 5.155 91 2HG GLN 39 HG1 GLN 39 8.509 -5.016 5.212 92 1HE2 GLN 39 HE21 GLN 39 10.180 -7.021 7.227 93 2HE2 GLN 39 HE22 GLN 39 9.257 -6.854 8.642 94 H THR 40 HN THR 40 8.639 -9.283 1.826 95 HA THR 40 HA THR 40 7.541 -11.545 3.294 96 HB THR 40 HB THR 40 7.748 -11.436 0.781 97 HG1 THR 40 HG1 THR 40 7.533 -13.478 1.178 98 1HG2 THR 40 HG21 THR 40 9.773 -11.343 -0.274 99 2HG2 THR 40 HG22 THR 40 10.577 -12.305 0.967 100 3HG2 THR 40 HG23 THR 40 10.278 -10.588 1.238 101 H SER 41 HN SER 41 8.979 -13.429 3.906 102 HA SER 41 HA SER 41 11.787 -13.096 4.337 103 1HB SER 41 HB2 SER 41 10.217 -11.632 6.154 104 2HB SER 41 HB1 SER 41 10.724 -13.070 7.036 105 HG SER 41 HG SER 41 12.291 -11.441 7.190 106 H GLY 42 HN GLY 42 12.653 -15.081 4.898 107 1HA GLY 42 HA2 GLY 42 12.342 -17.143 6.346 108 2HA GLY 42 HA1 GLY 42 10.694 -17.190 5.718 109 H ARG 43 HN ARG 43 10.921 -16.834 3.067 110 HA ARG 43 HA ARG 43 13.122 -18.277 1.862 111 1HB ARG 43 HB2 ARG 43 11.355 -19.958 3.076 112 2HB ARG 43 HB1 ARG 43 10.626 -19.824 1.475 113 1HG ARG 43 HG2 ARG 43 12.733 -20.476 0.422 114 2HG ARG 43 HG1 ARG 43 13.531 -20.522 1.994 115 1HD ARG 43 HD2 ARG 43 11.922 -22.290 2.716 116 2HD ARG 43 HD1 ARG 43 11.244 -22.294 1.088 117 HE ARG 43 HE ARG 43 14.049 -22.689 0.863 118 1HH1 ARG 43 HH21 ARG 43 11.043 -24.220 1.402 119 2HH1 ARG 43 HH22 ARG 43 11.703 -25.819 1.477 120 1HH2 ARG 43 HH11 ARG 43 14.996 -24.757 1.257 121 2HH2 ARG 43 HH12 ARG 43 13.941 -26.124 1.395 122 H LYS 44 HN LYS 44 12.807 -18.474 -0.497 123 HA LYS 44 HA LYS 44 11.159 -16.269 -1.515 124 1HB LYS 44 HB2 LYS 44 13.570 -17.289 -2.283 125 2HB LYS 44 HB1 LYS 44 12.496 -18.077 -3.440 126 1HG LYS 44 HG2 LYS 44 11.530 -15.866 -4.023 127 2HG LYS 44 HG1 LYS 44 12.662 -15.095 -2.912 128 1HD LYS 44 HD2 LYS 44 14.554 -16.049 -4.214 129 2HD LYS 44 HD1 LYS 44 13.397 -16.737 -5.354 130 1HE LYS 44 HE2 LYS 44 12.502 -14.362 -5.663 131 2HE LYS 44 HE1 LYS 44 13.938 -13.815 -4.798 132 1HZ LYS 44 HZ1 LYS 44 14.846 -13.821 -6.831 133 2HZ LYS 44 HZ2 LYS 44 13.686 -14.882 -7.475 134 3HZ LYS 44 HZ3 LYS 44 15.000 -15.493 -6.587 135 H GLY 45 HN GLY 45 9.119 -16.541 -2.280 136 1HA GLY 45 HA2 GLY 45 8.188 -18.538 -3.990 137 2HA GLY 45 HA1 GLY 45 7.894 -19.163 -2.366 138 H LYS 46 HN LYS 46 7.233 -16.811 -1.013 139 HA LYS 46 HA LYS 46 4.851 -15.813 -2.520 140 1HB LYS 46 HB2 LYS 46 3.782 -15.760 -0.132 141 2HB LYS 46 HB1 LYS 46 3.846 -17.293 -1.002 142 1HG LYS 46 HG2 LYS 46 5.903 -17.908 0.195 143 2HG LYS 46 HG1 LYS 46 5.882 -16.362 1.045 144 1HD LYS 46 HD2 LYS 46 3.562 -18.297 1.169 145 2HD LYS 46 HD1 LYS 46 4.903 -18.361 2.314 146 1HE LYS 46 HE2 LYS 46 4.248 -15.674 2.294 147 2HE LYS 46 HE1 LYS 46 2.675 -16.460 2.159 148 1HZ LYS 46 HZ1 LYS 46 3.359 -17.884 4.060 149 2HZ LYS 46 HZ2 LYS 46 3.189 -16.240 4.453 150 3HZ LYS 46 HZ3 LYS 46 4.736 -16.912 4.245 151 H GLY 47 HN GLY 47 3.905 -13.859 -1.084 152 1HA GLY 47 HA2 GLY 47 5.815 -12.295 0.408 153 2HA GLY 47 HA1 GLY 47 5.701 -11.715 -1.254 154 H VAL 48 HN VAL 48 4.805 -10.438 1.306 155 HA VAL 48 HA VAL 48 1.910 -10.143 0.606 156 HB VAL 48 HB VAL 48 1.654 -9.402 3.023 157 1HG1 VAL 48 HG11 VAL 48 1.260 -11.775 2.012 158 2HG1 VAL 48 HG12 VAL 48 1.329 -11.607 3.767 159 3HG1 VAL 48 HG13 VAL 48 2.731 -12.211 2.883 160 1HG2 VAL 48 HG21 VAL 48 4.342 -9.223 3.044 161 2HG2 VAL 48 HG22 VAL 48 4.171 -10.870 3.651 162 3HG2 VAL 48 HG23 VAL 48 3.408 -9.530 4.508 163 H CYS 49 HN CYS 49 1.049 -7.947 0.902 164 HA CYS 49 HA CYS 49 3.184 -5.858 0.696 165 1HB CYS 49 HB2 CYS 49 1.584 -6.532 -1.355 166 2HB CYS 49 HB1 CYS 49 0.514 -5.388 -0.546 167 HG CYS 49 HG CYS 49 3.428 -4.518 -1.255 168 H LEU 50 HN LEU 50 3.096 -4.472 2.392 169 HA LEU 50 HA LEU 50 0.466 -4.121 3.772 170 1HB LEU 50 HB2 LEU 50 3.225 -4.453 4.731 171 2HB LEU 50 HB1 LEU 50 2.378 -3.101 5.482 172 HG LEU 50 HG LEU 50 0.421 -4.957 5.586 173 1HD1 LEU 50 HD11 LEU 50 1.140 -7.090 5.418 174 2HD1 LEU 50 HD12 LEU 50 2.521 -6.774 6.468 175 3HD1 LEU 50 HD13 LEU 50 2.633 -6.444 4.739 176 1HD2 LEU 50 HD21 LEU 50 2.492 -5.207 7.715 177 2HD2 LEU 50 HD22 LEU 50 0.767 -4.867 7.860 178 3HD2 LEU 50 HD23 LEU 50 1.882 -3.585 7.388 179 H ILE 51 HN ILE 51 -0.180 -1.978 4.319 180 HA ILE 51 HA ILE 51 1.458 0.211 3.123 181 HB ILE 51 HB ILE 51 -1.513 -0.266 2.750 182 1HG1 ILE 51 HG12 ILE 51 0.402 0.332 0.538 183 2HG1 ILE 51 HG11 ILE 51 0.490 -1.269 1.272 184 1HG2 ILE 51 HG21 ILE 51 -1.350 1.901 1.417 185 2HG2 ILE 51 HG22 ILE 51 0.208 2.164 2.200 186 3HG2 ILE 51 HG23 ILE 51 -1.264 2.081 3.169 187 1HD1 ILE 51 HD11 ILE 51 -1.880 0.028 -0.083 188 2HD1 ILE 51 HD12 ILE 51 -2.052 -1.385 0.959 189 3HD1 ILE 51 HD13 ILE 51 -1.078 -1.484 -0.508 190 H THR 52 HN THR 52 1.767 1.819 4.586 191 HA THR 52 HA THR 52 -0.350 2.466 6.536 192 HB THR 52 HB THR 52 2.249 2.244 7.869 193 HG1 THR 52 HG1 THR 52 0.930 -0.136 7.089 194 1HG2 THR 52 HG21 THR 52 0.924 1.720 9.668 195 2HG2 THR 52 HG22 THR 52 -0.162 0.716 8.707 196 3HG2 THR 52 HG23 THR 52 -0.310 2.473 8.657 197 H GLY 53 HN GLY 53 0.307 4.467 7.812 198 1HA GLY 53 HA2 GLY 53 1.565 6.507 7.998 199 2HA GLY 53 HA1 GLY 53 2.436 6.074 6.526 200 H VAL 54 HN VAL 54 -0.951 5.623 6.343 201 HA VAL 54 HA VAL 54 -1.179 7.684 4.300 202 HB VAL 54 HB VAL 54 -3.452 6.176 5.608 203 1HG1 VAL 54 HG11 VAL 54 -4.702 6.854 3.814 204 2HG1 VAL 54 HG12 VAL 54 -3.337 6.771 2.701 205 3HG1 VAL 54 HG13 VAL 54 -3.523 8.164 3.767 206 1HG2 VAL 54 HG21 VAL 54 -2.908 4.741 3.375 207 2HG2 VAL 54 HG22 VAL 54 -2.255 4.329 4.960 208 3HG2 VAL 54 HG23 VAL 54 -1.274 5.241 3.813 209 H ASP 55 HN ASP 55 -1.150 9.782 5.009 210 HA ASP 55 HA ASP 55 -2.567 10.475 7.521 211 1HB ASP 55 HB2 ASP 55 -0.206 11.331 6.828 212 2HB ASP 55 HB1 ASP 55 -1.089 12.427 5.764 213 H LEU 56 HN LEU 56 -4.734 10.159 6.656 214 HA LEU 56 HA LEU 56 -5.663 12.537 5.145 215 1HB LEU 56 HB2 LEU 56 -5.690 9.743 4.171 216 2HB LEU 56 HB1 LEU 56 -7.219 10.606 4.004 217 HG LEU 56 HG LEU 56 -5.332 12.481 3.202 218 1HD1 LEU 56 HD11 LEU 56 -4.317 9.757 2.784 219 2HD1 LEU 56 HD12 LEU 56 -3.468 11.300 2.683 220 3HD1 LEU 56 HD13 LEU 56 -4.393 10.710 1.302 221 1HD2 LEU 56 HD21 LEU 56 -6.223 11.203 0.871 222 2HD2 LEU 56 HD22 LEU 56 -7.020 12.539 1.701 223 3HD2 LEU 56 HD23 LEU 56 -7.479 10.876 2.066 224 H ASP 57 HN ASP 57 -8.304 12.032 4.939 225 HA ASP 57 HA ASP 57 -9.224 12.202 7.666 226 1HB ASP 57 HB2 ASP 57 -10.427 12.314 4.965 227 2HB ASP 57 HB1 ASP 57 -11.502 11.735 6.238 228 H ASP 58 HN ASP 58 -10.520 10.678 8.824 229 HA ASP 58 HA ASP 58 -9.729 7.983 8.721 230 1HB ASP 58 HB2 ASP 58 -12.023 9.452 9.940 231 2HB ASP 58 HB1 ASP 58 -12.142 7.694 9.852 232 H ALA 59 HN ALA 59 -12.642 9.484 7.295 233 HA ALA 59 HA ALA 59 -13.758 7.114 6.199 234 1HB ALA 59 HB1 ALA 59 -14.148 9.975 5.923 235 2HB ALA 59 HB2 ALA 59 -15.314 8.670 5.709 236 3HB ALA 59 HB3 ALA 59 -14.297 9.173 4.360 237 H GLU 60 HN GLU 60 -11.424 9.418 4.790 238 HA GLU 60 HA GLU 60 -11.180 8.314 2.224 239 1HB GLU 60 HB2 GLU 60 -9.234 9.684 4.061 240 2HB GLU 60 HB1 GLU 60 -8.670 9.025 2.525 241 1HG GLU 60 HG2 GLU 60 -11.090 10.824 2.682 242 2HG GLU 60 HG1 GLU 60 -9.460 11.476 2.516 243 H LEU 61 HN LEU 61 -9.829 7.159 5.279 244 HA LEU 61 HA LEU 61 -8.003 5.244 4.273 245 1HB LEU 61 HB2 LEU 61 -9.722 5.263 6.763 246 2HB LEU 61 HB1 LEU 61 -8.542 3.994 6.436 247 HG LEU 61 HG LEU 61 -7.952 6.963 6.636 248 1HD1 LEU 61 HD11 LEU 61 -6.992 6.517 8.729 249 2HD1 LEU 61 HD12 LEU 61 -6.851 4.789 8.403 250 3HD1 LEU 61 HD13 LEU 61 -8.430 5.496 8.748 251 1HD2 LEU 61 HD21 LEU 61 -5.549 6.059 6.558 252 2HD2 LEU 61 HD22 LEU 61 -6.439 6.046 5.035 253 3HD2 LEU 61 HD23 LEU 61 -6.250 4.556 5.958 254 H THR 62 HN THR 62 -11.426 4.726 5.209 255 HA THR 62 HA THR 62 -11.545 2.044 4.220 256 HB THR 62 HB THR 62 -13.215 3.036 5.785 257 HG1 THR 62 HG1 THR 62 -14.318 1.445 5.012 258 1HG2 THR 62 HG21 THR 62 -13.895 5.120 5.204 259 2HG2 THR 62 HG22 THR 62 -15.054 4.282 4.172 260 3HG2 THR 62 HG23 THR 62 -13.531 4.861 3.498 261 H LYS 63 HN LYS 63 -11.519 5.079 2.599 262 HA LYS 63 HA LYS 63 -12.961 4.236 0.225 263 1HB LYS 63 HB2 LYS 63 -11.956 6.652 1.205 264 2HB LYS 63 HB1 LYS 63 -10.978 6.325 -0.227 265 1HG LYS 63 HG2 LYS 63 -12.751 6.544 -1.655 266 2HG LYS 63 HG1 LYS 63 -13.889 5.829 -0.512 267 1HD LYS 63 HD2 LYS 63 -13.349 8.086 0.829 268 2HD LYS 63 HD1 LYS 63 -13.028 8.669 -0.805 269 1HE LYS 63 HE2 LYS 63 -15.333 7.406 -1.298 270 2HE LYS 63 HE1 LYS 63 -15.595 7.753 0.412 271 1HZ LYS 63 HZ1 LYS 63 -15.132 10.078 -0.017 272 2HZ LYS 63 HZ2 LYS 63 -16.410 9.540 -0.999 273 3HZ LYS 63 HZ3 LYS 63 -14.858 9.751 -1.658 274 H LEU 64 HN LEU 64 -9.494 5.094 0.520 275 HA LEU 64 HA LEU 64 -8.637 3.819 -1.829 276 1HB LEU 64 HB2 LEU 64 -7.403 4.968 0.488 277 2HB LEU 64 HB1 LEU 64 -6.612 3.429 0.143 278 HG LEU 64 HG LEU 64 -5.498 5.203 -1.110 279 1HD1 LEU 64 HD11 LEU 64 -6.538 2.855 -2.191 280 2HD1 LEU 64 HD12 LEU 64 -5.270 3.851 -2.906 281 3HD1 LEU 64 HD13 LEU 64 -6.951 4.087 -3.384 282 1HD2 LEU 64 HD21 LEU 64 -8.026 6.330 -1.241 283 2HD2 LEU 64 HD22 LEU 64 -7.752 5.788 -2.896 284 3HD2 LEU 64 HD23 LEU 64 -6.612 6.895 -2.131 285 H ALA 65 HN ALA 65 -9.257 2.440 1.365 286 HA ALA 65 HA ALA 65 -8.084 -0.122 0.921 287 1HB ALA 65 HB1 ALA 65 -8.697 -0.145 3.100 288 2HB ALA 65 HB2 ALA 65 -10.301 -0.603 2.528 289 3HB ALA 65 HB3 ALA 65 -9.928 1.092 2.843 290 H ALA 66 HN ALA 66 -11.548 0.786 0.692 291 HA ALA 66 HA ALA 66 -12.441 -1.614 -0.496 292 1HB ALA 66 HB1 ALA 66 -14.288 -0.366 -0.027 293 2HB ALA 66 HB2 ALA 66 -14.067 0.256 -1.662 294 3HB ALA 66 HB3 ALA 66 -13.438 1.158 -0.283 295 H GLU 67 HN GLU 67 -10.648 1.040 -1.867 296 HA GLU 67 HA GLU 67 -11.249 0.544 -4.634 297 1HB GLU 67 HB2 GLU 67 -9.983 2.543 -3.436 298 2HB GLU 67 HB1 GLU 67 -8.560 1.563 -3.789 299 1HG GLU 67 HG2 GLU 67 -8.909 1.669 -6.114 300 2HG GLU 67 HG1 GLU 67 -10.602 2.129 -5.930 301 H LEU 68 HN LEU 68 -8.252 -0.249 -2.829 302 HA LEU 68 HA LEU 68 -7.330 -2.091 -4.837 303 1HB LEU 68 HB2 LEU 68 -6.578 -1.595 -1.956 304 2HB LEU 68 HB1 LEU 68 -5.828 -2.890 -2.890 305 HG LEU 68 HG LEU 68 -5.866 -0.473 -4.459 306 1HD1 LEU 68 HD11 LEU 68 -4.487 -0.262 -1.764 307 2HD1 LEU 68 HD12 LEU 68 -5.929 0.639 -2.232 308 3HD1 LEU 68 HD13 LEU 68 -4.404 0.919 -3.072 309 1HD2 LEU 68 HD21 LEU 68 -4.059 -1.647 -5.132 310 2HD2 LEU 68 HD22 LEU 68 -4.099 -2.641 -3.677 311 3HD2 LEU 68 HD23 LEU 68 -3.240 -1.101 -3.669 312 H LYS 69 HN LYS 69 -9.742 -2.356 -2.438 313 HA LYS 69 HA LYS 69 -9.491 -5.174 -1.860 314 1HB LYS 69 HB2 LYS 69 -10.867 -3.367 -0.599 315 2HB LYS 69 HB1 LYS 69 -12.104 -3.671 -1.820 316 1HG LYS 69 HG2 LYS 69 -11.829 -6.161 -1.242 317 2HG LYS 69 HG1 LYS 69 -10.949 -5.613 0.185 318 1HD LYS 69 HD2 LYS 69 -13.076 -4.029 0.447 319 2HD LYS 69 HD1 LYS 69 -13.846 -5.313 -0.487 320 1HE LYS 69 HE2 LYS 69 -12.553 -6.849 1.282 321 2HE LYS 69 HE1 LYS 69 -12.706 -5.396 2.270 322 1HZ LYS 69 HZ1 LYS 69 -15.080 -6.244 0.814 323 2HZ LYS 69 HZ2 LYS 69 -14.937 -5.584 2.373 324 3HZ LYS 69 HZ3 LYS 69 -14.601 -7.228 2.110 325 H LYS 70 HN LYS 70 -11.195 -3.308 -4.340 326 HA LYS 70 HA LYS 70 -12.615 -5.600 -5.413 327 1HB LYS 70 HB2 LYS 70 -12.930 -2.936 -5.726 328 2HB LYS 70 HB1 LYS 70 -11.998 -3.288 -7.182 329 1HG LYS 70 HG2 LYS 70 -13.609 -4.956 -7.885 330 2HG LYS 70 HG1 LYS 70 -14.491 -4.805 -6.365 331 1HD LYS 70 HD2 LYS 70 -14.352 -2.189 -7.325 332 2HD LYS 70 HD1 LYS 70 -14.657 -3.158 -8.767 333 1HE LYS 70 HE2 LYS 70 -16.715 -3.874 -8.023 334 2HE LYS 70 HE1 LYS 70 -16.242 -3.806 -6.325 335 1HZ LYS 70 HZ1 LYS 70 -16.220 -1.240 -7.605 336 2HZ LYS 70 HZ2 LYS 70 -16.948 -1.718 -6.147 337 3HZ LYS 70 HZ3 LYS 70 -17.753 -1.963 -7.622 338 H LYS 71 HN LYS 71 -9.401 -4.375 -5.699 339 HA LYS 71 HA LYS 71 -8.756 -5.422 -8.297 340 1HB LYS 71 HB2 LYS 71 -7.051 -4.822 -5.866 341 2HB LYS 71 HB1 LYS 71 -6.379 -5.345 -7.412 342 1HG LYS 71 HG2 LYS 71 -7.669 -3.405 -8.468 343 2HG LYS 71 HG1 LYS 71 -7.937 -2.821 -6.825 344 1HD LYS 71 HD2 LYS 71 -5.483 -2.810 -6.447 345 2HD LYS 71 HD1 LYS 71 -5.239 -3.329 -8.115 346 1HE LYS 71 HE2 LYS 71 -6.766 -1.222 -8.640 347 2HE LYS 71 HE1 LYS 71 -6.170 -0.683 -7.070 348 1HZ LYS 71 HZ1 LYS 71 -4.405 -1.630 -9.257 349 2HZ LYS 71 HZ2 LYS 71 -3.940 -0.869 -7.810 350 3HZ LYS 71 HZ3 LYS 71 -4.783 0.003 -9.000 351 H CYS 72 HN CYS 72 -8.952 -6.850 -5.096 352 HA CYS 72 HA CYS 72 -7.697 -9.358 -6.022 353 1HB CYS 72 HB2 CYS 72 -9.008 -8.700 -3.364 354 2HB CYS 72 HB1 CYS 72 -8.026 -10.122 -3.718 355 HG CYS 72 HG CYS 72 -6.796 -7.761 -2.677 356 H GLY 73 HN GLY 73 -10.883 -8.021 -5.392 357 1HA GLY 73 HA2 GLY 73 -12.897 -8.873 -6.383 358 2HA GLY 73 HA1 GLY 73 -12.073 -10.404 -6.681 359 H CYS 74 HN CYS 74 -11.063 -10.191 -3.770 360 HA CYS 74 HA CYS 74 -13.258 -10.277 -1.981 361 1HB CYS 74 HB2 CYS 74 -14.038 -12.159 -3.379 362 2HB CYS 74 HB1 CYS 74 -12.507 -12.993 -3.110 363 HG CYS 74 HG CYS 74 -13.160 -12.960 -0.485 364 H GLY 75 HN GLY 75 -11.691 -9.404 -0.582 365 1HA GLY 75 HA2 GLY 75 -10.400 -10.805 1.307 366 2HA GLY 75 HA1 GLY 75 -9.255 -10.981 -0.023 367 H GLY 76 HN GLY 76 -8.897 -9.538 2.530 368 1HA GLY 76 HA2 GLY 76 -7.337 -7.396 1.828 369 2HA GLY 76 HA1 GLY 76 -8.954 -6.688 1.864 370 H ALA 77 HN ALA 77 -7.571 -5.500 3.677 371 HA ALA 77 HA ALA 77 -8.699 -6.219 6.193 372 1HB ALA 77 HB1 ALA 77 -6.020 -6.610 6.935 373 2HB ALA 77 HB2 ALA 77 -6.243 -7.604 5.495 374 3HB ALA 77 HB3 ALA 77 -7.290 -7.833 6.895 375 H VAL 78 HN VAL 78 -8.943 -4.168 6.929 376 HA VAL 78 HA VAL 78 -6.591 -2.329 6.717 377 HB VAL 78 HB VAL 78 -8.435 -1.562 5.291 378 1HG1 VAL 78 HG11 VAL 78 -10.334 -2.619 6.293 379 2HG1 VAL 78 HG12 VAL 78 -10.588 -0.884 6.485 380 3HG1 VAL 78 HG13 VAL 78 -10.026 -1.849 7.850 381 1HG2 VAL 78 HG21 VAL 78 -8.158 0.607 5.932 382 2HG2 VAL 78 HG22 VAL 78 -7.112 -0.070 7.180 383 3HG2 VAL 78 HG23 VAL 78 -8.795 0.305 7.549 384 H LYS 79 HN LYS 79 -6.161 -1.032 8.577 385 HA LYS 79 HA LYS 79 -7.871 -1.418 10.954 386 1HB LYS 79 HB2 LYS 79 -5.462 -2.927 10.516 387 2HB LYS 79 HB1 LYS 79 -5.223 -1.835 11.882 388 1HG LYS 79 HG2 LYS 79 -7.858 -3.045 11.984 389 2HG LYS 79 HG1 LYS 79 -6.603 -4.283 11.914 390 1HD LYS 79 HD2 LYS 79 -6.227 -1.956 13.765 391 2HD LYS 79 HD1 LYS 79 -7.330 -3.249 14.239 392 1HE LYS 79 HE2 LYS 79 -5.220 -4.721 13.381 393 2HE LYS 79 HE1 LYS 79 -4.377 -3.288 13.968 394 1HZ LYS 79 HZ1 LYS 79 -4.878 -5.169 15.611 395 2HZ LYS 79 HZ2 LYS 79 -6.471 -4.579 15.595 396 3HZ LYS 79 HZ3 LYS 79 -5.195 -3.576 16.098 397 H ASP 80 HN ASP 80 -8.095 0.920 10.415 398 HA ASP 80 HA ASP 80 -7.516 3.180 10.694 399 1HB ASP 80 HB2 ASP 80 -7.604 2.321 13.054 400 2HB ASP 80 HB1 ASP 80 -5.863 2.050 12.969 401 H GLY 81 HN GLY 81 -6.183 2.754 8.612 402 1HA GLY 81 HA2 GLY 81 -4.272 3.615 7.496 403 2HA GLY 81 HA1 GLY 81 -3.511 3.880 9.065 404 H VAL 82 HN VAL 82 -4.465 0.871 9.497 405 HA VAL 82 HA VAL 82 -1.897 -0.229 8.483 406 HB VAL 82 HB VAL 82 -3.889 -1.392 10.453 407 1HG1 VAL 82 HG11 VAL 82 -1.644 -2.517 9.023 408 2HG1 VAL 82 HG12 VAL 82 -2.743 -3.308 10.152 409 3HG1 VAL 82 HG13 VAL 82 -1.302 -2.489 10.753 410 1HG2 VAL 82 HG21 VAL 82 -1.140 -0.403 11.147 411 2HG2 VAL 82 HG22 VAL 82 -2.568 -0.534 12.173 412 3HG2 VAL 82 HG23 VAL 82 -2.453 0.764 10.984 413 H ILE 83 HN ILE 83 -2.506 -0.559 6.279 414 HA ILE 83 HA ILE 83 -4.774 -2.426 5.801 415 HB ILE 83 HB ILE 83 -3.081 -0.947 3.767 416 1HG1 ILE 83 HG12 ILE 83 -5.811 -0.189 4.851 417 2HG1 ILE 83 HG11 ILE 83 -4.305 0.562 5.379 418 1HG2 ILE 83 HG21 ILE 83 -5.724 -2.424 3.654 419 2HG2 ILE 83 HG22 ILE 83 -4.240 -2.815 2.784 420 3HG2 ILE 83 HG23 ILE 83 -5.152 -1.365 2.365 421 1HD1 ILE 83 HD11 ILE 83 -4.752 2.026 3.685 422 2HD1 ILE 83 HD12 ILE 83 -5.777 0.876 2.827 423 3HD1 ILE 83 HD13 ILE 83 -4.022 0.769 2.687 424 H GLU 84 HN GLU 84 -4.412 -4.346 4.504 425 HA GLU 84 HA GLU 84 -1.604 -5.145 4.037 426 1HB GLU 84 HB2 GLU 84 -1.933 -5.903 6.314 427 2HB GLU 84 HB1 GLU 84 -3.483 -6.633 5.893 428 1HG GLU 84 HG2 GLU 84 -2.494 -8.388 4.721 429 2HG GLU 84 HG1 GLU 84 -1.014 -7.479 4.410 430 H ILE 85 HN ILE 85 -1.879 -5.533 1.866 431 HA ILE 85 HA ILE 85 -4.002 -7.505 1.123 432 HB ILE 85 HB ILE 85 -3.055 -5.053 -0.382 433 1HG1 ILE 85 HG12 ILE 85 -5.810 -5.985 0.490 434 2HG1 ILE 85 HG11 ILE 85 -4.849 -4.763 1.325 435 1HG2 ILE 85 HG21 ILE 85 -4.653 -5.872 -2.165 436 2HG2 ILE 85 HG22 ILE 85 -4.701 -7.418 -1.319 437 3HG2 ILE 85 HG23 ILE 85 -3.184 -6.834 -2.003 438 1HD1 ILE 85 HD11 ILE 85 -4.754 -3.685 -1.107 439 2HD1 ILE 85 HD12 ILE 85 -6.122 -3.391 -0.033 440 3HD1 ILE 85 HD13 ILE 85 -6.249 -4.599 -1.312 441 H GLN 86 HN GLN 86 -3.144 -9.336 0.267 442 HA GLN 86 HA GLN 86 -0.316 -9.627 -0.164 443 1HB GLN 86 HB2 GLN 86 -2.353 -11.380 0.227 444 2HB GLN 86 HB1 GLN 86 -2.135 -11.540 -1.516 445 1HG GLN 86 HG2 GLN 86 0.326 -11.868 -1.108 446 2HG GLN 86 HG1 GLN 86 -0.017 -11.899 0.622 447 1HE2 GLN 86 HE21 GLN 86 0.923 -14.213 0.318 448 2HE2 GLN 86 HE22 GLN 86 -0.174 -15.437 -0.107 449 H GLY 87 HN GLY 87 0.754 -10.059 -2.222 450 1HA GLY 87 HA2 GLY 87 0.079 -10.116 -4.777 451 2HA GLY 87 HA1 GLY 87 -0.450 -8.470 -4.427 452 H ASP 88 HN ASP 88 1.851 -9.671 -6.091 453 HA ASP 88 HA ASP 88 4.065 -8.132 -4.795 454 1HB ASP 88 HB2 ASP 88 3.967 -10.709 -6.170 455 2HB ASP 88 HB1 ASP 88 5.187 -9.634 -6.854 456 H LYS 89 HN LYS 89 2.286 -6.546 -6.069 457 HA LYS 89 HA LYS 89 3.604 -5.968 -8.694 458 1HB LYS 89 HB2 LYS 89 0.789 -6.248 -7.981 459 2HB LYS 89 HB1 LYS 89 1.126 -4.682 -8.721 460 1HG LYS 89 HG2 LYS 89 2.303 -5.856 -10.582 461 2HG LYS 89 HG1 LYS 89 1.834 -7.399 -9.866 462 1HD LYS 89 HD2 LYS 89 -0.566 -6.662 -10.020 463 2HD LYS 89 HD1 LYS 89 -0.020 -5.242 -10.912 464 1HE LYS 89 HE2 LYS 89 -0.416 -6.631 -12.702 465 2HE LYS 89 HE1 LYS 89 1.239 -7.130 -12.347 466 1HZ LYS 89 HZ1 LYS 89 -1.243 -8.566 -11.978 467 2HZ LYS 89 HZ2 LYS 89 -0.165 -8.672 -10.669 468 3HZ LYS 89 HZ3 LYS 89 0.328 -9.157 -12.221 469 H ARG 90 HN ARG 90 4.599 -4.973 -6.233 470 HA ARG 90 HA ARG 90 3.616 -2.441 -5.443 471 1HB ARG 90 HB2 ARG 90 5.934 -1.998 -4.661 472 2HB ARG 90 HB1 ARG 90 5.381 -3.609 -4.200 473 1HG ARG 90 HG2 ARG 90 6.563 -4.584 -6.122 474 2HG ARG 90 HG1 ARG 90 7.094 -2.978 -6.622 475 1HD ARG 90 HD2 ARG 90 8.319 -2.711 -4.502 476 2HD ARG 90 HD1 ARG 90 7.778 -4.308 -3.983 477 HE ARG 90 HE ARG 90 9.737 -4.996 -5.113 478 1HH1 ARG 90 HH11 ARG 90 10.018 -2.115 -6.296 479 2HH1 ARG 90 HH12 ARG 90 10.088 -2.497 -7.984 480 1HH2 ARG 90 HH21 ARG 90 8.939 -5.742 -7.568 481 2HH2 ARG 90 HH22 ARG 90 9.477 -4.551 -8.704 482 H ASP 91 HN ASP 91 5.448 -3.389 -8.271 483 HA ASP 91 HA ASP 91 6.487 -0.869 -9.053 484 1HB ASP 91 HB2 ASP 91 6.630 -3.325 -10.124 485 2HB ASP 91 HB1 ASP 91 5.375 -2.656 -11.167 486 H LEU 92 HN LEU 92 3.321 -2.353 -9.799 487 HA LEU 92 HA LEU 92 2.385 -0.008 -11.236 488 1HB LEU 92 HB2 LEU 92 1.448 -2.227 -11.706 489 2HB LEU 92 HB1 LEU 92 0.858 -2.345 -10.047 490 HG LEU 92 HG LEU 92 0.023 0.125 -11.392 491 1HD1 LEU 92 HD11 LEU 92 0.053 -2.015 -13.089 492 2HD1 LEU 92 HD12 LEU 92 -1.120 -0.702 -13.183 493 3HD1 LEU 92 HD13 LEU 92 -1.537 -2.199 -12.349 494 1HD2 LEU 92 HD21 LEU 92 -2.199 -0.715 -10.505 495 2HD2 LEU 92 HD22 LEU 92 -0.942 -0.533 -9.281 496 3HD2 LEU 92 HD23 LEU 92 -1.343 -2.134 -9.902 497 H LEU 93 HN LEU 93 2.181 -1.170 -7.911 498 HA LEU 93 HA LEU 93 0.151 0.535 -6.933 499 1HB LEU 93 HB2 LEU 93 2.358 -1.019 -5.801 500 2HB LEU 93 HB1 LEU 93 2.012 0.441 -4.874 501 HG LEU 93 HG LEU 93 0.659 -1.502 -4.106 502 1HD1 LEU 93 HD11 LEU 93 -0.299 1.099 -4.922 503 2HD1 LEU 93 HD12 LEU 93 -0.768 0.138 -3.520 504 3HD1 LEU 93 HD13 LEU 93 -1.595 -0.089 -5.061 505 1HD2 LEU 93 HD21 LEU 93 -0.875 -2.601 -5.518 506 2HD2 LEU 93 HD22 LEU 93 0.539 -2.396 -6.551 507 3HD2 LEU 93 HD23 LEU 93 -0.838 -1.307 -6.717 508 H LYS 94 HN LYS 94 3.601 1.172 -7.478 509 HA LYS 94 HA LYS 94 3.818 3.688 -6.234 510 1HB LYS 94 HB2 LYS 94 5.586 2.246 -7.540 511 2HB LYS 94 HB1 LYS 94 5.080 3.219 -8.921 512 1HG LYS 94 HG2 LYS 94 5.488 5.273 -7.487 513 2HG LYS 94 HG1 LYS 94 6.242 4.203 -6.305 514 1HD LYS 94 HD2 LYS 94 8.120 3.955 -7.553 515 2HD LYS 94 HD1 LYS 94 7.207 3.794 -9.053 516 1HE LYS 94 HE2 LYS 94 6.819 6.271 -9.019 517 2HE LYS 94 HE1 LYS 94 7.885 6.375 -7.617 518 1HZ LYS 94 HZ1 LYS 94 8.774 5.060 -10.104 519 2HZ LYS 94 HZ2 LYS 94 9.714 5.724 -8.854 520 3HZ LYS 94 HZ3 LYS 94 8.881 6.743 -9.929 521 H SER 95 HN SER 95 2.797 2.975 -9.590 522 HA SER 95 HA SER 95 2.203 5.724 -10.221 523 1HB SER 95 HB2 SER 95 2.530 3.658 -11.802 524 2HB SER 95 HB1 SER 95 0.807 3.406 -11.536 525 HG SER 95 HG SER 95 1.427 4.791 -13.363 526 H LEU 96 HN LEU 96 0.396 3.130 -8.697 527 HA LEU 96 HA LEU 96 -2.236 4.149 -8.986 528 1HB LEU 96 HB2 LEU 96 -1.931 1.948 -8.062 529 2HB LEU 96 HB1 LEU 96 -0.943 2.576 -6.743 530 HG LEU 96 HG LEU 96 -3.650 3.761 -7.003 531 1HD1 LEU 96 HD11 LEU 96 -3.215 0.875 -6.828 532 2HD1 LEU 96 HD12 LEU 96 -4.714 1.768 -7.085 533 3HD1 LEU 96 HD13 LEU 96 -4.116 1.502 -5.448 534 1HD2 LEU 96 HD21 LEU 96 -3.023 4.420 -4.941 535 2HD2 LEU 96 HD22 LEU 96 -1.558 3.444 -5.058 536 3HD2 LEU 96 HD23 LEU 96 -3.040 2.736 -4.417 537 H LEU 97 HN LEU 97 0.102 4.703 -6.328 538 HA LEU 97 HA LEU 97 -1.578 6.691 -5.054 539 1HB LEU 97 HB2 LEU 97 0.589 5.245 -4.246 540 2HB LEU 97 HB1 LEU 97 1.339 6.809 -4.567 541 HG LEU 97 HG LEU 97 -0.848 7.651 -3.240 542 1HD1 LEU 97 HD11 LEU 97 -1.430 6.148 -1.451 543 2HD1 LEU 97 HD12 LEU 97 -0.164 5.013 -1.918 544 3HD1 LEU 97 HD13 LEU 97 -1.572 5.239 -2.955 545 1HD2 LEU 97 HD21 LEU 97 1.627 6.555 -1.868 546 2HD2 LEU 97 HD22 LEU 97 0.585 7.850 -1.279 547 3HD2 LEU 97 HD23 LEU 97 1.566 8.096 -2.724 548 H GLU 98 HN GLU 98 0.999 6.776 -7.455 549 HA GLU 98 HA GLU 98 1.380 9.645 -7.353 550 1HB GLU 98 HB2 GLU 98 3.080 8.108 -8.296 551 2HB GLU 98 HB1 GLU 98 1.968 7.693 -9.601 552 1HG GLU 98 HG2 GLU 98 1.969 9.977 -10.411 553 2HG GLU 98 HG1 GLU 98 2.917 10.512 -9.022 554 H ALA 99 HN ALA 99 -1.086 7.645 -8.615 555 HA ALA 99 HA ALA 99 -1.902 9.192 -10.882 556 1HB ALA 99 HB1 ALA 99 -2.705 6.836 -9.989 557 2HB ALA 99 HB2 ALA 99 -3.812 7.861 -10.902 558 3HB ALA 99 HB3 ALA 99 -3.913 7.803 -9.143 559 H LYS 100 HN LYS 100 -2.454 9.550 -7.425 560 HA LYS 100 HA LYS 100 -4.351 11.777 -7.905 561 1HB LYS 100 HB2 LYS 100 -3.431 10.286 -5.446 562 2HB LYS 100 HB1 LYS 100 -4.322 11.803 -5.316 563 1HG LYS 100 HG2 LYS 100 -6.264 10.902 -6.219 564 2HG LYS 100 HG1 LYS 100 -5.393 9.652 -7.109 565 1HD LYS 100 HD2 LYS 100 -4.740 8.863 -4.648 566 2HD LYS 100 HD1 LYS 100 -6.241 9.697 -4.243 567 1HE LYS 100 HE2 LYS 100 -6.619 8.097 -6.616 568 2HE LYS 100 HE1 LYS 100 -5.972 7.098 -5.315 569 1HZ LYS 100 HZ1 LYS 100 -8.577 7.991 -5.620 570 2HZ LYS 100 HZ2 LYS 100 -7.939 8.847 -4.298 571 3HZ LYS 100 HZ3 LYS 100 -7.923 7.148 -4.302 572 H GLY 101 HN GLY 101 -1.011 11.221 -7.227 573 1HA GLY 101 HA2 GLY 101 0.618 13.004 -7.514 574 2HA GLY 101 HA1 GLY 101 -0.616 14.164 -7.019 575 H MET 102 HN MET 102 -0.603 11.347 -5.108 576 HA MET 102 HA MET 102 0.328 12.865 -2.790 577 1HB MET 102 HB2 MET 102 -0.602 10.013 -3.184 578 2HB MET 102 HB1 MET 102 -0.026 10.613 -1.629 579 1HG MET 102 HG2 MET 102 -1.805 12.579 -2.439 580 2HG MET 102 HG1 MET 102 -2.584 11.089 -2.971 581 1HE MET 102 HE1 MET 102 -1.943 8.880 0.035 582 2HE MET 102 HE2 MET 102 -2.095 9.058 -1.711 583 3HE MET 102 HE3 MET 102 -3.539 9.081 -0.701 584 H LYS 103 HN LYS 103 2.143 12.166 -1.439 585 HA LYS 103 HA LYS 103 4.446 11.364 -3.066 586 1HB LYS 103 HB2 LYS 103 4.195 13.034 -0.939 587 2HB LYS 103 HB1 LYS 103 4.730 11.566 -0.120 588 1HG LYS 103 HG2 LYS 103 6.645 11.403 -1.683 589 2HG LYS 103 HG1 LYS 103 6.123 12.897 -2.463 590 1HD LYS 103 HD2 LYS 103 6.276 13.997 -0.167 591 2HD LYS 103 HD1 LYS 103 7.104 12.537 0.376 592 1HE LYS 103 HE2 LYS 103 8.681 12.896 -1.627 593 2HE LYS 103 HE1 LYS 103 7.994 14.518 -1.722 594 1HZ LYS 103 HZ1 LYS 103 9.540 15.035 -0.220 595 2HZ LYS 103 HZ2 LYS 103 9.838 13.414 0.190 596 3HZ LYS 103 HZ3 LYS 103 8.545 14.251 0.907 597 H VAL 104 HN VAL 104 5.331 9.337 -3.121 598 HA VAL 104 HA VAL 104 4.460 7.375 -1.047 599 HB VAL 104 HB VAL 104 3.143 7.081 -3.165 600 1HG1 VAL 104 HG11 VAL 104 4.988 7.847 -4.678 601 2HG1 VAL 104 HG12 VAL 104 4.289 6.303 -5.167 602 3HG1 VAL 104 HG13 VAL 104 5.843 6.343 -4.334 603 1HG2 VAL 104 HG21 VAL 104 3.951 4.608 -3.475 604 2HG2 VAL 104 HG22 VAL 104 3.308 5.104 -1.909 605 3HG2 VAL 104 HG23 VAL 104 5.051 4.984 -2.149 606 H LYS 105 HN LYS 105 6.083 5.945 -0.412 607 HA LYS 105 HA LYS 105 8.743 6.350 -1.722 608 1HB LYS 105 HB2 LYS 105 8.041 6.806 0.928 609 2HB LYS 105 HB1 LYS 105 8.801 5.215 0.975 610 1HG LYS 105 HG2 LYS 105 10.757 6.114 -0.238 611 2HG LYS 105 HG1 LYS 105 10.002 7.708 -0.268 612 1HD LYS 105 HD2 LYS 105 10.015 7.797 2.176 613 2HD LYS 105 HD1 LYS 105 10.680 6.165 2.253 614 1HE LYS 105 HE2 LYS 105 12.784 6.865 1.747 615 2HE LYS 105 HE1 LYS 105 12.210 8.028 0.552 616 1HZ LYS 105 HZ1 LYS 105 11.360 9.282 2.629 617 2HZ LYS 105 HZ2 LYS 105 13.003 9.384 2.208 618 3HZ LYS 105 HZ3 LYS 105 12.506 8.349 3.461 619 H LEU 106 HN LEU 106 8.730 4.597 -3.141 620 HA LEU 106 HA LEU 106 7.641 2.063 -2.820 621 1HB LEU 106 HB2 LEU 106 8.916 2.946 -4.834 622 2HB LEU 106 HB1 LEU 106 10.401 2.522 -3.980 623 HG LEU 106 HG LEU 106 9.540 0.176 -3.767 624 1HD1 LEU 106 HD11 LEU 106 7.370 1.275 -5.578 625 2HD1 LEU 106 HD12 LEU 106 7.154 0.607 -3.960 626 3HD1 LEU 106 HD13 LEU 106 7.646 -0.443 -5.289 627 1HD2 LEU 106 HD21 LEU 106 10.723 -0.217 -5.646 628 2HD2 LEU 106 HD22 LEU 106 10.618 1.502 -6.026 629 3HD2 LEU 106 HD23 LEU 106 9.399 0.386 -6.643 630 H ALA 107 HN ALA 107 10.425 3.414 -1.195 631 HA ALA 107 HA ALA 107 11.677 2.577 0.607 632 1HB ALA 107 HB1 ALA 107 10.357 1.528 2.101 633 2HB ALA 107 HB2 ALA 107 10.268 0.095 1.075 634 3HB ALA 107 HB3 ALA 107 9.116 1.413 0.852 635 H GLY 108 HN GLY 108 13.121 2.139 -1.404 636 1HA GLY 108 HA2 GLY 108 13.414 -0.361 -2.628 637 2HA GLY 108 HA1 GLY 108 14.770 0.716 -2.292 638 H GLY 109 HN GLY 109 15.305 0.699 0.233 639 1HA GLY 109 HA2 GLY 109 15.902 -0.556 2.145 640 2HA GLY 109 HA1 GLY 109 14.889 -1.873 1.550 641 H LEU 110 HN LEU 110 17.363 -2.490 2.614 642 HA LEU 110 HA LEU 110 19.195 -3.860 2.059 643 1HB LEU 110 HB2 LEU 110 17.490 -4.468 0.112 644 2HB LEU 110 HB1 LEU 110 18.647 -3.567 -0.870 645 HG LEU 110 HG LEU 110 20.233 -5.199 0.757 646 1HD1 LEU 110 HD11 LEU 110 18.076 -6.911 -0.485 647 2HD1 LEU 110 HD12 LEU 110 17.994 -6.398 1.200 648 3HD1 LEU 110 HD13 LEU 110 19.339 -7.395 0.646 649 1HD2 LEU 110 HD21 LEU 110 20.723 -4.659 -1.560 650 2HD2 LEU 110 HD22 LEU 110 19.280 -5.514 -2.106 651 3HD2 LEU 110 HD23 LEU 110 20.629 -6.414 -1.411 652 H GLU 111 HN GLU 111 21.361 -3.611 1.027 653 HA GLU 111 HA GLU 111 21.857 -0.880 -0.055 654 1HB GLU 111 HB2 GLU 111 22.362 -1.420 2.562 655 2HB GLU 111 HB1 GLU 111 23.891 -1.916 1.835 656 1HG GLU 111 HG2 GLU 111 24.318 0.228 0.965 657 2HG GLU 111 HG1 GLU 111 22.628 0.717 1.098 Start of MODEL 13 1 HA LYS 29 HA LYS 29 -14.294 16.878 3.793 2 1HB LYS 29 HB2 LYS 29 -13.714 17.698 0.935 3 2HB LYS 29 HB1 LYS 29 -14.717 16.310 1.358 4 1HG LYS 29 HG2 LYS 29 -16.086 17.921 2.800 5 2HG LYS 29 HG1 LYS 29 -15.224 19.224 1.981 6 1HD LYS 29 HD2 LYS 29 -16.008 18.404 -0.196 7 2HD LYS 29 HD1 LYS 29 -16.837 17.063 0.595 8 1HE LYS 29 HE2 LYS 29 -17.971 19.004 1.990 9 2HE LYS 29 HE1 LYS 29 -17.530 19.978 0.588 10 1HZ LYS 29 HZ1 LYS 29 -18.641 18.280 -0.808 11 2HZ LYS 29 HZ2 LYS 29 -19.700 19.098 0.239 12 3HZ LYS 29 HZ3 LYS 29 -19.190 17.519 0.605 13 H GLY 30 HN GLY 30 -13.243 15.074 4.477 14 1HA GLY 30 HA2 GLY 30 -11.778 13.368 2.773 15 2HA GLY 30 HA1 GLY 30 -10.596 14.346 3.645 16 H ASP 31 HN ASP 31 -10.708 11.578 4.037 17 HA ASP 31 HA ASP 31 -10.859 11.390 6.874 18 1HB ASP 31 HB2 ASP 31 -13.395 11.294 5.694 19 2HB ASP 31 HB1 ASP 31 -12.992 9.606 6.014 20 H GLY 32 HN GLY 32 -8.829 10.367 6.297 21 1HA GLY 32 HA2 GLY 32 -8.376 7.783 6.556 22 2HA GLY 32 HA1 GLY 32 -9.057 7.736 4.929 23 H VAL 33 HN VAL 33 -6.185 7.831 6.550 24 HA VAL 33 HA VAL 33 -4.824 9.149 4.233 25 HB VAL 33 HB VAL 33 -3.782 9.047 7.077 26 1HG1 VAL 33 HG11 VAL 33 -2.219 10.755 6.242 27 2HG1 VAL 33 HG12 VAL 33 -2.972 10.677 4.649 28 3HG1 VAL 33 HG13 VAL 33 -2.094 9.283 5.280 29 1HG2 VAL 33 HG21 VAL 33 -5.228 11.272 5.602 30 2HG2 VAL 33 HG22 VAL 33 -4.412 11.461 7.154 31 3HG2 VAL 33 HG23 VAL 33 -5.818 10.406 7.020 32 H VAL 34 HN VAL 34 -4.423 7.204 3.117 33 HA VAL 34 HA VAL 34 -3.161 4.956 4.541 34 HB VAL 34 HB VAL 34 -3.652 5.286 1.568 35 1HG1 VAL 34 HG11 VAL 34 -2.102 3.499 2.040 36 2HG1 VAL 34 HG12 VAL 34 -3.667 2.759 1.706 37 3HG1 VAL 34 HG13 VAL 34 -3.101 2.913 3.370 38 1HG2 VAL 34 HG21 VAL 34 -5.738 4.050 1.948 39 2HG2 VAL 34 HG22 VAL 34 -5.743 5.536 2.899 40 3HG2 VAL 34 HG23 VAL 34 -5.407 3.990 3.679 41 H ARG 35 HN ARG 35 -1.077 4.058 3.702 42 HA ARG 35 HA ARG 35 0.666 6.039 2.347 43 1HB ARG 35 HB2 ARG 35 0.717 5.526 5.174 44 2HB ARG 35 HB1 ARG 35 2.210 4.920 4.456 45 1HG ARG 35 HG2 ARG 35 2.883 7.014 3.743 46 2HG ARG 35 HG1 ARG 35 1.229 7.609 3.591 47 1HD ARG 35 HD2 ARG 35 1.186 8.354 5.729 48 2HD ARG 35 HD1 ARG 35 1.940 6.883 6.343 49 HE ARG 35 HE ARG 35 3.406 9.268 5.330 50 1HH1 ARG 35 HH21 ARG 35 4.546 6.365 5.012 51 2HH1 ARG 35 HH22 ARG 35 5.626 6.330 6.365 52 1HH2 ARG 35 HH11 ARG 35 4.267 9.146 7.863 53 2HH2 ARG 35 HH12 ARG 35 5.468 7.904 7.980 54 H ILE 36 HN ILE 36 2.254 5.047 1.103 55 HA ILE 36 HA ILE 36 2.691 2.128 1.464 56 HB ILE 36 HB ILE 36 2.074 3.364 -1.233 57 1HG1 ILE 36 HG12 ILE 36 0.012 1.654 -0.714 58 2HG1 ILE 36 HG11 ILE 36 0.316 2.298 0.900 59 1HG2 ILE 36 HG21 ILE 36 3.197 1.439 -1.774 60 2HG2 ILE 36 HG22 ILE 36 1.619 0.713 -1.469 61 3HG2 ILE 36 HG23 ILE 36 2.861 0.682 -0.217 62 1HD1 ILE 36 HD11 ILE 36 -0.478 3.777 -1.599 63 2HD1 ILE 36 HD12 ILE 36 0.354 4.617 -0.291 64 3HD1 ILE 36 HD13 ILE 36 -1.205 3.848 0.006 65 H GLN 37 HN GLN 37 4.852 1.760 1.442 66 HA GLN 37 HA GLN 37 6.575 3.328 -0.386 67 1HB GLN 37 HB2 GLN 37 8.196 3.704 1.551 68 2HB GLN 37 HB1 GLN 37 6.732 4.688 1.578 69 1HG GLN 37 HG2 GLN 37 5.704 3.275 3.220 70 2HG GLN 37 HG1 GLN 37 6.961 2.050 3.042 71 1HE2 GLN 37 HE21 GLN 37 9.323 3.199 3.361 72 2HE2 GLN 37 HE22 GLN 37 9.429 4.146 4.766 73 H ARG 38 HN ARG 38 7.768 1.815 -1.428 74 HA ARG 38 HA ARG 38 7.927 -0.900 -0.875 75 1HB ARG 38 HB2 ARG 38 8.800 0.010 -2.955 76 2HB ARG 38 HB1 ARG 38 10.067 0.876 -2.084 77 1HG ARG 38 HG2 ARG 38 10.061 -1.954 -1.407 78 2HG ARG 38 HG1 ARG 38 10.257 -1.706 -3.143 79 1HD ARG 38 HD2 ARG 38 11.859 -0.096 -1.161 80 2HD ARG 38 HD1 ARG 38 12.393 -1.698 -1.669 81 HE ARG 38 HE ARG 38 11.778 -0.143 -3.990 82 1HH1 ARG 38 HH21 ARG 38 14.285 -1.724 -3.683 83 2HH1 ARG 38 HH22 ARG 38 15.493 -0.488 -3.574 84 1HH2 ARG 38 HH11 ARG 38 13.226 2.037 -2.865 85 2HH2 ARG 38 HH12 ARG 38 14.894 1.641 -3.111 86 H GLN 39 HN GLN 39 8.574 -1.891 0.971 87 HA GLN 39 HA GLN 39 10.466 -0.558 2.785 88 1HB GLN 39 HB2 GLN 39 8.351 -2.340 3.133 89 2HB GLN 39 HB1 GLN 39 9.784 -3.319 3.448 90 1HG GLN 39 HG2 GLN 39 9.541 -0.578 4.663 91 2HG GLN 39 HG1 GLN 39 8.731 -1.953 5.415 92 1HE2 GLN 39 HE21 GLN 39 11.290 -0.285 6.125 93 2HE2 GLN 39 HE22 GLN 39 12.443 -1.484 6.461 94 H THR 40 HN THR 40 12.629 -0.941 2.766 95 HA THR 40 HA THR 40 13.644 -3.133 1.040 96 HB THR 40 HB THR 40 14.561 -0.840 0.737 97 HG1 THR 40 HG1 THR 40 16.613 -2.353 1.893 98 1HG2 THR 40 HG21 THR 40 14.873 0.389 2.597 99 2HG2 THR 40 HG22 THR 40 16.302 -0.595 2.917 100 3HG2 THR 40 HG23 THR 40 14.750 -1.036 3.629 101 H SER 41 HN SER 41 15.758 -4.174 1.986 102 HA SER 41 HA SER 41 16.320 -4.381 4.716 103 1HB SER 41 HB2 SER 41 14.256 -5.161 5.415 104 2HB SER 41 HB1 SER 41 13.908 -5.932 3.870 105 HG SER 41 HG SER 41 14.399 -7.432 5.557 106 H GLY 42 HN GLY 42 18.313 -4.666 3.442 107 1HA GLY 42 HA2 GLY 42 20.044 -6.344 3.183 108 2HA GLY 42 HA1 GLY 42 18.790 -7.543 2.863 109 H ARG 43 HN ARG 43 21.030 -7.192 1.157 110 HA ARG 43 HA ARG 43 19.688 -6.075 -1.275 111 1HB ARG 43 HB2 ARG 43 21.951 -5.531 -2.130 112 2HB ARG 43 HB1 ARG 43 21.609 -4.682 -0.622 113 1HG ARG 43 HG2 ARG 43 23.131 -5.913 0.581 114 2HG ARG 43 HG1 ARG 43 22.884 -7.363 -0.393 115 1HD ARG 43 HD2 ARG 43 24.091 -6.230 -2.279 116 2HD ARG 43 HD1 ARG 43 24.451 -4.893 -1.187 117 HE ARG 43 HE ARG 43 25.366 -7.149 0.159 118 1HH1 ARG 43 HH11 ARG 43 26.794 -4.790 -1.468 119 2HH1 ARG 43 HH12 ARG 43 28.004 -5.733 -2.273 120 1HH2 ARG 43 HH21 ARG 43 26.524 -8.773 -1.506 121 2HH2 ARG 43 HH22 ARG 43 27.851 -7.988 -2.294 122 H LYS 44 HN LYS 44 19.025 -8.580 -0.911 123 HA LYS 44 HA LYS 44 20.676 -10.056 -2.877 124 1HB LYS 44 HB2 LYS 44 19.882 -11.289 -0.223 125 2HB LYS 44 HB1 LYS 44 20.854 -12.035 -1.492 126 1HG LYS 44 HG2 LYS 44 22.569 -10.259 -1.187 127 2HG LYS 44 HG1 LYS 44 21.614 -9.595 0.139 128 1HD LYS 44 HD2 LYS 44 21.799 -11.753 1.340 129 2HD LYS 44 HD1 LYS 44 22.790 -12.388 0.027 130 1HE LYS 44 HE2 LYS 44 24.393 -10.480 0.425 131 2HE LYS 44 HE1 LYS 44 23.457 -10.074 1.864 132 1HZ LYS 44 HZ1 LYS 44 25.344 -12.194 1.451 133 2HZ LYS 44 HZ2 LYS 44 23.877 -12.743 2.110 134 3HZ LYS 44 HZ3 LYS 44 24.765 -11.527 2.899 135 H GLY 45 HN GLY 45 17.951 -8.811 -2.745 136 1HA GLY 45 HA2 GLY 45 16.505 -10.842 -4.140 137 2HA GLY 45 HA1 GLY 45 15.911 -10.762 -2.480 138 H LYS 46 HN LYS 46 13.957 -10.105 -4.009 139 HA LYS 46 HA LYS 46 14.019 -7.300 -4.868 140 1HB LYS 46 HB2 LYS 46 12.235 -9.605 -5.182 141 2HB LYS 46 HB1 LYS 46 11.365 -8.099 -4.889 142 1HG LYS 46 HG2 LYS 46 12.565 -7.013 -6.728 143 2HG LYS 46 HG1 LYS 46 13.506 -8.480 -7.002 144 1HD LYS 46 HD2 LYS 46 11.438 -9.717 -7.525 145 2HD LYS 46 HD1 LYS 46 10.492 -8.254 -7.250 146 1HE LYS 46 HE2 LYS 46 11.768 -7.121 -9.062 147 2HE LYS 46 HE1 LYS 46 12.628 -8.630 -9.370 148 1HZ LYS 46 HZ1 LYS 46 10.836 -9.563 -10.334 149 2HZ LYS 46 HZ2 LYS 46 10.394 -7.948 -10.622 150 3HZ LYS 46 HZ3 LYS 46 9.727 -8.794 -9.308 151 H GLY 47 HN GLY 47 11.935 -5.994 -4.085 152 1HA GLY 47 HA2 GLY 47 12.041 -6.057 -1.105 153 2HA GLY 47 HA1 GLY 47 11.620 -4.642 -2.072 154 H VAL 48 HN VAL 48 9.644 -4.474 -0.784 155 HA VAL 48 HA VAL 48 7.448 -6.007 -1.989 156 HB VAL 48 HB VAL 48 6.547 -6.749 0.204 157 1HG1 VAL 48 HG11 VAL 48 7.961 -8.259 -1.191 158 2HG1 VAL 48 HG12 VAL 48 8.108 -8.601 0.533 159 3HG1 VAL 48 HG13 VAL 48 9.381 -7.708 -0.300 160 1HG2 VAL 48 HG21 VAL 48 7.565 -5.150 1.693 161 2HG2 VAL 48 HG22 VAL 48 9.186 -5.628 1.188 162 3HG2 VAL 48 HG23 VAL 48 8.194 -6.737 2.135 163 H CYS 49 HN CYS 49 5.328 -5.075 -1.359 164 HA CYS 49 HA CYS 49 5.617 -2.179 -0.782 165 1HB CYS 49 HB2 CYS 49 4.082 -3.567 -2.621 166 2HB CYS 49 HB1 CYS 49 2.918 -3.177 -1.354 167 HG CYS 49 HG CYS 49 4.157 -0.634 -1.689 168 H LEU 50 HN LEU 50 5.342 -1.552 1.299 169 HA LEU 50 HA LEU 50 3.661 -3.253 3.081 170 1HB LEU 50 HB2 LEU 50 6.178 -2.270 3.492 171 2HB LEU 50 HB1 LEU 50 5.198 -1.018 4.257 172 HG LEU 50 HG LEU 50 4.719 -3.947 4.808 173 1HD1 LEU 50 HD11 LEU 50 6.068 -3.474 6.933 174 2HD1 LEU 50 HD12 LEU 50 6.695 -2.054 6.096 175 3HD1 LEU 50 HD13 LEU 50 7.000 -3.666 5.448 176 1HD2 LEU 50 HD21 LEU 50 3.207 -3.176 6.316 177 2HD2 LEU 50 HD22 LEU 50 3.328 -1.641 5.456 178 3HD2 LEU 50 HD23 LEU 50 4.305 -1.924 6.897 179 H ILE 51 HN ILE 51 1.576 -2.482 2.699 180 HA ILE 51 HA ILE 51 1.124 0.450 2.803 181 HB ILE 51 HB ILE 51 -0.690 -1.879 2.118 182 1HG1 ILE 51 HG12 ILE 51 -0.648 -0.120 0.005 183 2HG1 ILE 51 HG11 ILE 51 0.999 0.020 0.622 184 1HG2 ILE 51 HG21 ILE 51 -2.262 -0.422 2.973 185 2HG2 ILE 51 HG22 ILE 51 -2.114 0.251 1.349 186 3HG2 ILE 51 HG23 ILE 51 -1.252 0.997 2.695 187 1HD1 ILE 51 HD11 ILE 51 0.751 -2.655 0.709 188 2HD1 ILE 51 HD12 ILE 51 1.313 -1.809 -0.733 189 3HD1 ILE 51 HD13 ILE 51 -0.371 -2.320 -0.609 190 H THR 52 HN THR 52 0.463 1.390 4.674 191 HA THR 52 HA THR 52 -1.085 -0.230 6.625 192 HB THR 52 HB THR 52 0.965 1.511 7.848 193 HG1 THR 52 HG1 THR 52 2.597 0.609 6.924 194 1HG2 THR 52 HG21 THR 52 -0.431 -1.066 8.329 195 2HG2 THR 52 HG22 THR 52 -0.059 0.241 9.454 196 3HG2 THR 52 HG23 THR 52 1.192 -0.917 9.003 197 H GLY 53 HN GLY 53 -0.833 1.891 8.644 198 1HA GLY 53 HA2 GLY 53 -2.067 3.797 9.246 199 2HA GLY 53 HA1 GLY 53 -1.464 4.471 7.731 200 H VAL 54 HN VAL 54 -3.756 1.820 8.465 201 HA VAL 54 HA VAL 54 -5.692 3.188 6.638 202 HB VAL 54 HB VAL 54 -5.830 0.255 7.279 203 1HG1 VAL 54 HG11 VAL 54 -7.687 1.206 6.054 204 2HG1 VAL 54 HG12 VAL 54 -6.729 0.248 4.924 205 3HG1 VAL 54 HG13 VAL 54 -6.593 2.007 4.926 206 1HG2 VAL 54 HG21 VAL 54 -3.537 0.491 6.590 207 2HG2 VAL 54 HG22 VAL 54 -3.977 1.615 5.305 208 3HG2 VAL 54 HG23 VAL 54 -4.429 -0.085 5.183 209 H ASP 55 HN ASP 55 -5.638 3.984 9.298 210 HA ASP 55 HA ASP 55 -7.253 2.537 11.110 211 1HB ASP 55 HB2 ASP 55 -5.947 4.725 11.498 212 2HB ASP 55 HB1 ASP 55 -7.367 5.544 10.845 213 H LEU 56 HN LEU 56 -9.004 1.568 9.968 214 HA LEU 56 HA LEU 56 -11.288 3.394 9.543 215 1HB LEU 56 HB2 LEU 56 -9.759 2.248 7.373 216 2HB LEU 56 HB1 LEU 56 -11.404 1.611 7.357 217 HG LEU 56 HG LEU 56 -10.960 4.555 7.757 218 1HD1 LEU 56 HD11 LEU 56 -10.443 4.966 5.579 219 2HD1 LEU 56 HD12 LEU 56 -11.479 3.666 4.990 220 3HD1 LEU 56 HD13 LEU 56 -9.858 3.303 5.583 221 1HD2 LEU 56 HD21 LEU 56 -13.215 4.338 7.852 222 2HD2 LEU 56 HD22 LEU 56 -13.161 2.699 7.203 223 3HD2 LEU 56 HD23 LEU 56 -13.144 4.082 6.108 224 H ASP 57 HN ASP 57 -13.338 2.209 9.483 225 HA ASP 57 HA ASP 57 -13.434 0.022 11.318 226 1HB ASP 57 HB2 ASP 57 -15.309 1.642 9.852 227 2HB ASP 57 HB1 ASP 57 -15.769 -0.055 9.707 228 H ASP 58 HN ASP 58 -14.112 -2.207 10.850 229 HA ASP 58 HA ASP 58 -12.567 -3.482 8.854 230 1HB ASP 58 HB2 ASP 58 -14.333 -4.284 10.909 231 2HB ASP 58 HB1 ASP 58 -14.951 -5.015 9.427 232 H ALA 59 HN ALA 59 -13.640 -4.912 7.081 233 HA ALA 59 HA ALA 59 -15.081 -5.136 5.216 234 1HB ALA 59 HB1 ALA 59 -16.496 -2.568 5.742 235 2HB ALA 59 HB2 ALA 59 -16.748 -3.873 6.902 236 3HB ALA 59 HB3 ALA 59 -17.140 -4.118 5.201 237 H GLU 60 HN GLU 60 -13.988 -1.835 6.029 238 HA GLU 60 HA GLU 60 -13.747 -1.060 3.237 239 1HB GLU 60 HB2 GLU 60 -13.580 0.226 5.775 240 2HB GLU 60 HB1 GLU 60 -12.061 0.525 4.930 241 1HG GLU 60 HG2 GLU 60 -14.355 0.770 3.147 242 2HG GLU 60 HG1 GLU 60 -14.463 1.881 4.513 243 H LEU 61 HN LEU 61 -11.229 -1.476 5.762 244 HA LEU 61 HA LEU 61 -9.037 -1.552 3.974 245 1HB LEU 61 HB2 LEU 61 -7.856 -2.784 5.817 246 2HB LEU 61 HB1 LEU 61 -8.677 -1.322 6.365 247 HG LEU 61 HG LEU 61 -10.587 -3.405 6.507 248 1HD1 LEU 61 HD11 LEU 61 -9.526 -5.089 7.859 249 2HD1 LEU 61 HD12 LEU 61 -8.020 -4.172 7.921 250 3HD1 LEU 61 HD13 LEU 61 -8.544 -4.906 6.405 251 1HD2 LEU 61 HD21 LEU 61 -10.393 -1.410 7.974 252 2HD2 LEU 61 HD22 LEU 61 -8.935 -2.095 8.692 253 3HD2 LEU 61 HD23 LEU 61 -10.489 -2.900 8.914 254 H THR 62 HN THR 62 -11.367 -4.023 4.827 255 HA THR 62 HA THR 62 -9.833 -6.251 3.784 256 HB THR 62 HB THR 62 -12.029 -7.447 3.852 257 HG1 THR 62 HG1 THR 62 -13.693 -6.202 3.657 258 1HG2 THR 62 HG21 THR 62 -10.620 -7.292 5.869 259 2HG2 THR 62 HG22 THR 62 -12.332 -7.266 6.291 260 3HG2 THR 62 HG23 THR 62 -11.400 -5.769 6.297 261 H LYS 63 HN LYS 63 -12.141 -3.953 2.428 262 HA LYS 63 HA LYS 63 -12.451 -5.368 -0.089 263 1HB LYS 63 HB2 LYS 63 -13.330 -2.806 1.082 264 2HB LYS 63 HB1 LYS 63 -13.063 -2.756 -0.661 265 1HG LYS 63 HG2 LYS 63 -14.543 -4.681 -0.974 266 2HG LYS 63 HG1 LYS 63 -14.770 -4.814 0.770 267 1HD LYS 63 HD2 LYS 63 -15.871 -2.665 0.860 268 2HD LYS 63 HD1 LYS 63 -15.482 -2.342 -0.830 269 1HE LYS 63 HE2 LYS 63 -16.855 -4.312 -1.492 270 2HE LYS 63 HE1 LYS 63 -17.302 -4.538 0.200 271 1HZ LYS 63 HZ1 LYS 63 -17.859 -1.946 -0.166 272 2HZ LYS 63 HZ2 LYS 63 -18.996 -3.198 -0.336 273 3HZ LYS 63 HZ3 LYS 63 -18.215 -2.563 -1.706 274 H LEU 64 HN LEU 64 -10.629 -2.436 0.863 275 HA LEU 64 HA LEU 64 -9.345 -1.996 -1.620 276 1HB LEU 64 HB2 LEU 64 -9.013 -1.118 1.137 277 2HB LEU 64 HB1 LEU 64 -7.457 -1.305 0.326 278 HG LEU 64 HG LEU 64 -8.395 0.973 0.010 279 1HD1 LEU 64 HD11 LEU 64 -7.505 1.051 -2.074 280 2HD1 LEU 64 HD12 LEU 64 -8.694 -0.081 -2.716 281 3HD1 LEU 64 HD13 LEU 64 -7.261 -0.685 -1.885 282 1HD2 LEU 64 HD21 LEU 64 -10.479 1.361 -0.968 283 2HD2 LEU 64 HD22 LEU 64 -10.813 -0.089 -0.022 284 3HD2 LEU 64 HD23 LEU 64 -10.515 -0.216 -1.756 285 H ALA 65 HN ALA 65 -8.224 -3.915 1.182 286 HA ALA 65 HA ALA 65 -5.773 -4.783 0.040 287 1HB ALA 65 HB1 ALA 65 -7.066 -5.192 2.433 288 2HB ALA 65 HB2 ALA 65 -5.591 -6.022 1.936 289 3HB ALA 65 HB3 ALA 65 -7.160 -6.789 1.692 290 H ALA 66 HN ALA 66 -8.817 -6.669 0.256 291 HA ALA 66 HA ALA 66 -8.159 -8.840 -1.317 292 1HB ALA 66 HB1 ALA 66 -10.638 -8.555 -2.209 293 2HB ALA 66 HB2 ALA 66 -10.700 -7.287 -0.985 294 3HB ALA 66 HB3 ALA 66 -10.336 -8.948 -0.517 295 H GLU 67 HN GLU 67 -9.075 -5.606 -2.487 296 HA GLU 67 HA GLU 67 -9.137 -6.238 -5.263 297 1HB GLU 67 HB2 GLU 67 -9.524 -3.957 -3.755 298 2HB GLU 67 HB1 GLU 67 -8.037 -3.587 -4.631 299 1HG GLU 67 HG2 GLU 67 -9.100 -4.057 -6.757 300 2HG GLU 67 HG1 GLU 67 -10.558 -4.633 -5.949 301 H LEU 68 HN LEU 68 -6.455 -4.896 -3.302 302 HA LEU 68 HA LEU 68 -4.514 -4.942 -5.385 303 1HB LEU 68 HB2 LEU 68 -4.222 -5.159 -2.377 304 2HB LEU 68 HB1 LEU 68 -2.851 -5.002 -3.476 305 HG LEU 68 HG LEU 68 -4.798 -3.020 -4.172 306 1HD1 LEU 68 HD11 LEU 68 -5.713 -2.539 -2.159 307 2HD1 LEU 68 HD12 LEU 68 -4.125 -1.912 -1.715 308 3HD1 LEU 68 HD13 LEU 68 -4.564 -3.571 -1.308 309 1HD2 LEU 68 HD21 LEU 68 -2.936 -1.549 -3.928 310 2HD2 LEU 68 HD22 LEU 68 -2.246 -3.089 -4.441 311 3HD2 LEU 68 HD23 LEU 68 -2.162 -2.606 -2.747 312 H LYS 69 HN LYS 69 -5.884 -7.498 -3.487 313 HA LYS 69 HA LYS 69 -3.739 -9.393 -3.697 314 1HB LYS 69 HB2 LYS 69 -6.181 -9.376 -2.455 315 2HB LYS 69 HB1 LYS 69 -6.480 -10.485 -3.793 316 1HG LYS 69 HG2 LYS 69 -5.087 -12.078 -2.953 317 2HG LYS 69 HG1 LYS 69 -3.903 -10.890 -2.406 318 1HD LYS 69 HD2 LYS 69 -4.722 -10.949 -0.309 319 2HD LYS 69 HD1 LYS 69 -6.358 -10.637 -0.891 320 1HE LYS 69 HE2 LYS 69 -6.630 -13.030 -1.423 321 2HE LYS 69 HE1 LYS 69 -4.994 -13.345 -0.845 322 1HZ LYS 69 HZ1 LYS 69 -7.357 -13.197 0.644 323 2HZ LYS 69 HZ2 LYS 69 -6.362 -11.906 1.125 324 3HZ LYS 69 HZ3 LYS 69 -5.784 -13.502 1.200 325 H LYS 70 HN LYS 70 -6.495 -8.640 -5.814 326 HA LYS 70 HA LYS 70 -5.974 -10.769 -7.691 327 1HB LYS 70 HB2 LYS 70 -7.589 -8.240 -7.718 328 2HB LYS 70 HB1 LYS 70 -7.296 -9.082 -9.239 329 1HG LYS 70 HG2 LYS 70 -8.306 -11.107 -8.393 330 2HG LYS 70 HG1 LYS 70 -8.422 -10.427 -6.769 331 1HD LYS 70 HD2 LYS 70 -9.994 -8.727 -7.553 332 2HD LYS 70 HD1 LYS 70 -9.830 -9.307 -9.211 333 1HE LYS 70 HE2 LYS 70 -10.523 -11.621 -8.085 334 2HE LYS 70 HE1 LYS 70 -11.266 -10.545 -6.902 335 1HZ LYS 70 HZ1 LYS 70 -12.470 -11.293 -9.140 336 2HZ LYS 70 HZ2 LYS 70 -11.704 -9.883 -9.698 337 3HZ LYS 70 HZ3 LYS 70 -12.774 -9.807 -8.381 338 H LYS 71 HN LYS 71 -4.595 -7.627 -7.168 339 HA LYS 71 HA LYS 71 -3.550 -7.140 -9.785 340 1HB LYS 71 HB2 LYS 71 -2.503 -6.299 -7.066 341 2HB LYS 71 HB1 LYS 71 -1.952 -5.634 -8.604 342 1HG LYS 71 HG2 LYS 71 -4.467 -5.144 -9.041 343 2HG LYS 71 HG1 LYS 71 -4.656 -5.368 -7.302 344 1HD LYS 71 HD2 LYS 71 -4.091 -3.182 -7.128 345 2HD LYS 71 HD1 LYS 71 -2.443 -3.719 -7.461 346 1HE LYS 71 HE2 LYS 71 -2.729 -3.324 -9.834 347 2HE LYS 71 HE1 LYS 71 -4.442 -2.971 -9.612 348 1HZ LYS 71 HZ1 LYS 71 -2.172 -1.403 -8.516 349 2HZ LYS 71 HZ2 LYS 71 -3.813 -1.082 -8.216 350 3HZ LYS 71 HZ3 LYS 71 -3.190 -0.936 -9.790 351 H CYS 72 HN CYS 72 -2.445 -9.186 -7.149 352 HA CYS 72 HA CYS 72 0.094 -9.713 -8.606 353 1HB CYS 72 HB2 CYS 72 -0.824 -9.976 -5.804 354 2HB CYS 72 HB1 CYS 72 0.231 -11.269 -6.375 355 HG CYS 72 HG CYS 72 1.447 -8.922 -5.439 356 H GLY 73 HN GLY 73 -2.764 -11.412 -7.330 357 1HA GLY 73 HA2 GLY 73 -3.813 -13.201 -8.621 358 2HA GLY 73 HA1 GLY 73 -2.236 -13.560 -9.327 359 H CYS 74 HN CYS 74 -1.032 -13.217 -6.539 360 HA CYS 74 HA CYS 74 -2.086 -15.074 -4.703 361 1HB CYS 74 HB2 CYS 74 -1.901 -16.784 -6.417 362 2HB CYS 74 HB1 CYS 74 -0.231 -16.325 -6.751 363 HG CYS 74 HG CYS 74 0.010 -18.278 -5.111 364 H GLY 75 HN GLY 75 -1.087 -13.920 -3.080 365 1HA GLY 75 HA2 GLY 75 1.403 -14.389 -2.094 366 2HA GLY 75 HA1 GLY 75 1.744 -13.165 -3.317 367 H GLY 76 HN GLY 76 -0.019 -11.265 -3.156 368 1HA GLY 76 HA2 GLY 76 0.494 -9.773 -0.863 369 2HA GLY 76 HA1 GLY 76 -0.950 -9.540 -1.848 370 H ALA 77 HN ALA 77 0.024 -10.189 1.236 371 HA ALA 77 HA ALA 77 -2.415 -11.813 1.827 372 1HB ALA 77 HB1 ALA 77 -1.022 -13.050 3.093 373 2HB ALA 77 HB2 ALA 77 -0.806 -11.647 4.140 374 3HB ALA 77 HB3 ALA 77 0.307 -11.928 2.800 375 H VAL 78 HN VAL 78 -3.792 -11.089 3.547 376 HA VAL 78 HA VAL 78 -3.549 -8.166 4.067 377 HB VAL 78 HB VAL 78 -5.935 -9.996 4.464 378 1HG1 VAL 78 HG11 VAL 78 -5.502 -7.010 4.639 379 2HG1 VAL 78 HG12 VAL 78 -6.194 -8.084 5.854 380 3HG1 VAL 78 HG13 VAL 78 -7.104 -7.706 4.392 381 1HG2 VAL 78 HG21 VAL 78 -5.488 -7.972 2.257 382 2HG2 VAL 78 HG22 VAL 78 -6.761 -9.188 2.368 383 3HG2 VAL 78 HG23 VAL 78 -5.094 -9.681 2.068 384 H LYS 79 HN LYS 79 -3.836 -7.371 6.226 385 HA LYS 79 HA LYS 79 -3.702 -9.404 8.395 386 1HB LYS 79 HB2 LYS 79 -1.510 -7.784 7.507 387 2HB LYS 79 HB1 LYS 79 -1.993 -7.235 9.112 388 1HG LYS 79 HG2 LYS 79 -2.107 -9.939 9.447 389 2HG LYS 79 HG1 LYS 79 -0.786 -9.805 8.285 390 1HD LYS 79 HD2 LYS 79 -0.804 -7.936 10.621 391 2HD LYS 79 HD1 LYS 79 -0.329 -9.612 10.898 392 1HE LYS 79 HE2 LYS 79 1.072 -9.028 8.619 393 2HE LYS 79 HE1 LYS 79 1.090 -7.471 9.446 394 1HZ LYS 79 HZ1 LYS 79 2.418 -8.249 11.047 395 2HZ LYS 79 HZ2 LYS 79 2.780 -9.499 9.955 396 3HZ LYS 79 HZ3 LYS 79 1.604 -9.733 11.159 397 H ASP 80 HN ASP 80 -4.465 -8.589 10.438 398 HA ASP 80 HA ASP 80 -6.539 -6.596 10.203 399 1HB ASP 80 HB2 ASP 80 -5.306 -7.812 12.695 400 2HB ASP 80 HB1 ASP 80 -6.832 -6.929 12.625 401 H GLY 81 HN GLY 81 -5.512 -4.644 9.545 402 1HA GLY 81 HA2 GLY 81 -4.971 -2.466 10.572 403 2HA GLY 81 HA1 GLY 81 -3.948 -3.326 11.723 404 H VAL 82 HN VAL 82 -3.289 -4.950 9.027 405 HA VAL 82 HA VAL 82 -1.402 -2.960 7.882 406 HB VAL 82 HB VAL 82 -0.611 -5.665 9.000 407 1HG1 VAL 82 HG11 VAL 82 0.946 -3.659 7.342 408 2HG1 VAL 82 HG12 VAL 82 0.531 -5.310 6.883 409 3HG1 VAL 82 HG13 VAL 82 1.675 -5.021 8.194 410 1HG2 VAL 82 HG21 VAL 82 0.610 -2.987 9.647 411 2HG2 VAL 82 HG22 VAL 82 0.634 -4.470 10.600 412 3HG2 VAL 82 HG23 VAL 82 -0.850 -3.524 10.478 413 H ILE 83 HN ILE 83 -0.684 -3.540 5.740 414 HA ILE 83 HA ILE 83 -2.057 -5.892 4.529 415 HB ILE 83 HB ILE 83 -1.915 -3.371 2.931 416 1HG1 ILE 83 HG12 ILE 83 -2.823 -2.723 5.196 417 2HG1 ILE 83 HG11 ILE 83 -3.976 -2.511 3.878 418 1HG2 ILE 83 HG21 ILE 83 -2.812 -5.155 1.720 419 2HG2 ILE 83 HG22 ILE 83 -4.269 -4.387 2.350 420 3HG2 ILE 83 HG23 ILE 83 -3.626 -5.833 3.130 421 1HD1 ILE 83 HD11 ILE 83 -4.399 -3.974 6.221 422 2HD1 ILE 83 HD12 ILE 83 -4.104 -5.200 4.988 423 3HD1 ILE 83 HD13 ILE 83 -5.397 -4.021 4.767 424 H GLU 84 HN GLU 84 -0.657 -7.051 3.279 425 HA GLU 84 HA GLU 84 1.868 -5.687 2.430 426 1HB GLU 84 HB2 GLU 84 1.434 -8.103 3.932 427 2HB GLU 84 HB1 GLU 84 2.229 -8.501 2.409 428 1HG GLU 84 HG2 GLU 84 4.069 -7.097 2.861 429 2HG GLU 84 HG1 GLU 84 3.192 -6.201 4.103 430 H ILE 85 HN ILE 85 2.139 -5.560 0.257 431 HA ILE 85 HA ILE 85 0.868 -7.638 -1.458 432 HB ILE 85 HB ILE 85 0.775 -4.676 -2.090 433 1HG1 ILE 85 HG12 ILE 85 -0.598 -5.346 -0.066 434 2HG1 ILE 85 HG11 ILE 85 -1.539 -4.694 -1.407 435 1HG2 ILE 85 HG21 ILE 85 0.364 -7.044 -3.619 436 2HG2 ILE 85 HG22 ILE 85 0.089 -5.374 -4.116 437 3HG2 ILE 85 HG23 ILE 85 -1.215 -6.299 -3.371 438 1HD1 ILE 85 HD11 ILE 85 -2.125 -7.042 -0.160 439 2HD1 ILE 85 HD12 ILE 85 -1.107 -7.621 -1.479 440 3HD1 ILE 85 HD13 ILE 85 -2.561 -6.688 -1.831 441 H GLN 86 HN GLN 86 2.517 -8.529 -2.597 442 HA GLN 86 HA GLN 86 5.083 -7.239 -2.889 443 1HB GLN 86 HB2 GLN 86 3.829 -9.735 -4.019 444 2HB GLN 86 HB1 GLN 86 5.397 -9.178 -4.606 445 1HG GLN 86 HG2 GLN 86 6.251 -9.171 -2.278 446 2HG GLN 86 HG1 GLN 86 4.694 -9.781 -1.718 447 1HE2 GLN 86 HE21 GLN 86 7.227 -11.225 -1.442 448 2HE2 GLN 86 HE22 GLN 86 7.088 -12.651 -2.353 449 H GLY 87 HN GLY 87 6.070 -6.614 -4.953 450 1HA GLY 87 HA2 GLY 87 5.173 -6.411 -7.474 451 2HA GLY 87 HA1 GLY 87 4.112 -5.238 -6.691 452 H ASP 88 HN ASP 88 5.994 -4.233 -4.789 453 HA ASP 88 HA ASP 88 7.612 -2.540 -4.647 454 1HB ASP 88 HB2 ASP 88 8.957 -4.599 -5.509 455 2HB ASP 88 HB1 ASP 88 8.940 -3.760 -7.060 456 H LYS 89 HN LYS 89 5.402 -1.615 -5.862 457 HA LYS 89 HA LYS 89 6.509 0.057 -8.071 458 1HB LYS 89 HB2 LYS 89 3.774 -1.256 -8.019 459 2HB LYS 89 HB1 LYS 89 4.317 -0.094 -9.231 460 1HG LYS 89 HG2 LYS 89 6.371 -1.896 -9.280 461 2HG LYS 89 HG1 LYS 89 5.003 -2.951 -8.923 462 1HD LYS 89 HD2 LYS 89 3.825 -2.240 -10.883 463 2HD LYS 89 HD1 LYS 89 4.954 -0.913 -11.158 464 1HE LYS 89 HE2 LYS 89 6.605 -2.303 -11.988 465 2HE LYS 89 HE1 LYS 89 6.054 -3.691 -11.051 466 1HZ LYS 89 HZ1 LYS 89 3.957 -3.105 -12.697 467 2HZ LYS 89 HZ2 LYS 89 5.075 -4.366 -12.909 468 3HZ LYS 89 HZ3 LYS 89 5.316 -2.874 -13.686 469 H ARG 90 HN ARG 90 6.555 1.077 -5.598 470 HA ARG 90 HA ARG 90 4.300 2.207 -4.421 471 1HB ARG 90 HB2 ARG 90 5.741 3.925 -3.534 472 2HB ARG 90 HB1 ARG 90 6.698 2.447 -3.643 473 1HG ARG 90 HG2 ARG 90 7.689 3.195 -5.744 474 2HG ARG 90 HG1 ARG 90 6.667 4.633 -5.744 475 1HD ARG 90 HD2 ARG 90 7.730 5.437 -3.699 476 2HD ARG 90 HD1 ARG 90 8.692 3.962 -3.589 477 HE ARG 90 HE ARG 90 9.242 5.088 -6.114 478 1HH1 ARG 90 HH21 ARG 90 9.983 5.308 -2.789 479 2HH1 ARG 90 HH22 ARG 90 11.174 6.550 -2.983 480 1HH2 ARG 90 HH11 ARG 90 10.587 6.949 -6.377 481 2HH2 ARG 90 HH12 ARG 90 11.516 7.480 -5.014 482 H ASP 91 HN ASP 91 5.799 3.055 -7.466 483 HA ASP 91 HA ASP 91 4.665 5.645 -7.824 484 1HB ASP 91 HB2 ASP 91 6.420 4.412 -9.273 485 2HB ASP 91 HB1 ASP 91 5.036 3.670 -10.076 486 H LEU 92 HN LEU 92 3.482 2.519 -9.132 487 HA LEU 92 HA LEU 92 0.960 3.587 -9.980 488 1HB LEU 92 HB2 LEU 92 2.264 1.196 -10.316 489 2HB LEU 92 HB1 LEU 92 0.979 0.744 -9.194 490 HG LEU 92 HG LEU 92 0.404 2.388 -11.658 491 1HD1 LEU 92 HD11 LEU 92 -0.444 -0.120 -12.312 492 2HD1 LEU 92 HD12 LEU 92 1.038 -0.494 -11.432 493 3HD1 LEU 92 HD13 LEU 92 1.093 0.564 -12.842 494 1HD2 LEU 92 HD21 LEU 92 -1.093 1.387 -9.432 495 2HD2 LEU 92 HD22 LEU 92 -1.647 0.553 -10.884 496 3HD2 LEU 92 HD23 LEU 92 -1.682 2.315 -10.810 497 H LEU 93 HN LEU 93 2.162 2.624 -6.882 498 HA LEU 93 HA LEU 93 -0.334 1.978 -5.619 499 1HB LEU 93 HB2 LEU 93 2.426 2.563 -4.775 500 2HB LEU 93 HB1 LEU 93 1.202 3.059 -3.605 501 HG LEU 93 HG LEU 93 2.010 0.684 -3.314 502 1HD1 LEU 93 HD11 LEU 93 -0.794 0.234 -3.989 503 2HD1 LEU 93 HD12 LEU 93 -0.558 1.758 -3.134 504 3HD1 LEU 93 HD13 LEU 93 -0.013 0.246 -2.408 505 1HD2 LEU 93 HD21 LEU 93 2.237 0.212 -5.755 506 2HD2 LEU 93 HD22 LEU 93 0.480 0.269 -5.903 507 3HD2 LEU 93 HD23 LEU 93 1.243 -0.988 -4.929 508 H LYS 94 HN LYS 94 1.555 5.024 -5.635 509 HA LYS 94 HA LYS 94 -0.417 6.563 -4.251 510 1HB LYS 94 HB2 LYS 94 2.053 7.150 -4.785 511 2HB LYS 94 HB1 LYS 94 1.432 7.724 -6.333 512 1HG LYS 94 HG2 LYS 94 -0.123 8.652 -4.013 513 2HG LYS 94 HG1 LYS 94 1.542 9.234 -4.036 514 1HD LYS 94 HD2 LYS 94 0.631 9.465 -6.691 515 2HD LYS 94 HD1 LYS 94 -0.691 10.057 -5.684 516 1HE LYS 94 HE2 LYS 94 0.503 11.857 -4.943 517 2HE LYS 94 HE1 LYS 94 2.018 10.957 -4.888 518 1HZ LYS 94 HZ1 LYS 94 0.924 12.570 -6.995 519 2HZ LYS 94 HZ2 LYS 94 1.436 11.042 -7.532 520 3HZ LYS 94 HZ3 LYS 94 2.524 12.073 -6.732 521 H SER 95 HN SER 95 -0.269 5.402 -7.500 522 HA SER 95 HA SER 95 -2.004 7.415 -8.668 523 1HB SER 95 HB2 SER 95 -0.459 5.293 -9.635 524 2HB SER 95 HB1 SER 95 -2.120 4.812 -9.969 525 HG SER 95 HG SER 95 -1.272 6.096 -11.648 526 H LEU 96 HN LEU 96 -2.562 3.998 -7.732 527 HA LEU 96 HA LEU 96 -5.403 4.127 -8.092 528 1HB LEU 96 HB2 LEU 96 -5.478 2.006 -6.967 529 2HB LEU 96 HB1 LEU 96 -3.984 2.024 -7.905 530 HG LEU 96 HG LEU 96 -3.107 3.122 -5.580 531 1HD1 LEU 96 HD11 LEU 96 -5.546 1.500 -4.994 532 2HD1 LEU 96 HD12 LEU 96 -4.907 2.909 -4.149 533 3HD1 LEU 96 HD13 LEU 96 -4.167 1.327 -3.908 534 1HD2 LEU 96 HD21 LEU 96 -2.025 1.031 -5.199 535 2HD2 LEU 96 HD22 LEU 96 -2.286 1.103 -6.941 536 3HD2 LEU 96 HD23 LEU 96 -3.352 0.127 -5.930 537 H LEU 97 HN LEU 97 -3.293 5.041 -5.452 538 HA LEU 97 HA LEU 97 -5.312 5.140 -3.400 539 1HB LEU 97 HB2 LEU 97 -2.515 5.871 -3.692 540 2HB LEU 97 HB1 LEU 97 -3.402 7.108 -2.801 541 HG LEU 97 HG LEU 97 -2.497 5.332 -1.306 542 1HD1 LEU 97 HD11 LEU 97 -4.268 5.995 -0.078 543 2HD1 LEU 97 HD12 LEU 97 -5.157 4.628 -0.750 544 3HD1 LEU 97 HD13 LEU 97 -5.257 6.211 -1.522 545 1HD2 LEU 97 HD21 LEU 97 -4.541 3.421 -2.357 546 2HD2 LEU 97 HD22 LEU 97 -2.996 3.091 -1.573 547 3HD2 LEU 97 HD23 LEU 97 -3.038 3.591 -3.264 548 H GLU 98 HN GLU 98 -3.878 7.707 -5.448 549 HA GLU 98 HA GLU 98 -5.719 9.730 -4.519 550 1HB GLU 98 HB2 GLU 98 -3.488 9.558 -6.347 551 2HB GLU 98 HB1 GLU 98 -4.817 10.436 -7.102 552 1HG GLU 98 HG2 GLU 98 -4.978 11.723 -4.863 553 2HG GLU 98 HG1 GLU 98 -3.373 11.072 -4.532 554 H ALA 99 HN ALA 99 -5.998 7.135 -6.747 555 HA ALA 99 HA ALA 99 -7.949 8.269 -8.532 556 1HB ALA 99 HB1 ALA 99 -6.701 6.183 -9.032 557 2HB ALA 99 HB2 ALA 99 -8.445 5.939 -9.135 558 3HB ALA 99 HB3 ALA 99 -7.557 5.371 -7.721 559 H LYS 100 HN LYS 100 -8.114 7.107 -5.275 560 HA LYS 100 HA LYS 100 -11.079 6.924 -5.407 561 1HB LYS 100 HB2 LYS 100 -8.974 5.918 -3.551 562 2HB LYS 100 HB1 LYS 100 -10.539 6.323 -2.844 563 1HG LYS 100 HG2 LYS 100 -11.604 4.595 -3.885 564 2HG LYS 100 HG1 LYS 100 -10.654 4.769 -5.362 565 1HD LYS 100 HD2 LYS 100 -9.309 3.772 -2.872 566 2HD LYS 100 HD1 LYS 100 -10.302 2.661 -3.817 567 1HE LYS 100 HE2 LYS 100 -8.479 4.298 -5.445 568 2HE LYS 100 HE1 LYS 100 -7.654 3.215 -4.324 569 1HZ LYS 100 HZ1 LYS 100 -9.541 1.604 -5.284 570 2HZ LYS 100 HZ2 LYS 100 -7.988 1.735 -5.961 571 3HZ LYS 100 HZ3 LYS 100 -9.289 2.593 -6.638 572 H GLY 101 HN GLY 101 -8.555 9.059 -4.476 573 1HA GLY 101 HA2 GLY 101 -9.087 11.399 -4.004 574 2HA GLY 101 HA1 GLY 101 -10.588 10.862 -3.249 575 H MET 102 HN MET 102 -8.636 8.620 -2.112 576 HA MET 102 HA MET 102 -8.397 9.790 0.499 577 1HB MET 102 HB2 MET 102 -7.411 7.280 -0.813 578 2HB MET 102 HB1 MET 102 -6.733 7.745 0.748 579 1HG MET 102 HG2 MET 102 -8.643 7.235 1.857 580 2HG MET 102 HG1 MET 102 -9.659 7.984 0.626 581 1HE MET 102 HE1 MET 102 -8.235 3.674 0.992 582 2HE MET 102 HE2 MET 102 -8.143 4.992 2.157 583 3HE MET 102 HE3 MET 102 -7.045 4.966 0.780 584 H LYS 103 HN LYS 103 -6.561 10.628 1.557 585 HA LYS 103 HA LYS 103 -4.511 11.743 -0.241 586 1HB LYS 103 HB2 LYS 103 -5.661 12.456 2.292 587 2HB LYS 103 HB1 LYS 103 -3.913 12.310 2.483 588 1HG LYS 103 HG2 LYS 103 -3.667 13.742 0.407 589 2HG LYS 103 HG1 LYS 103 -5.404 14.036 0.492 590 1HD LYS 103 HD2 LYS 103 -4.759 14.617 3.038 591 2HD LYS 103 HD1 LYS 103 -3.226 15.024 2.266 592 1HE LYS 103 HE2 LYS 103 -4.208 16.672 0.901 593 2HE LYS 103 HE1 LYS 103 -5.831 16.019 1.125 594 1HZ LYS 103 HZ1 LYS 103 -6.079 17.058 3.089 595 2HZ LYS 103 HZ2 LYS 103 -4.903 18.112 2.463 596 3HZ LYS 103 HZ3 LYS 103 -4.454 16.873 3.535 597 H VAL 104 HN VAL 104 -3.246 9.925 -0.823 598 HA VAL 104 HA VAL 104 -2.085 8.264 1.324 599 HB VAL 104 HB VAL 104 -2.805 7.197 -0.787 600 1HG1 VAL 104 HG11 VAL 104 -0.732 9.064 -1.966 601 2HG1 VAL 104 HG12 VAL 104 -2.445 8.966 -2.373 602 3HG1 VAL 104 HG13 VAL 104 -1.355 7.655 -2.824 603 1HG2 VAL 104 HG21 VAL 104 0.108 7.209 -0.021 604 2HG2 VAL 104 HG22 VAL 104 -0.449 6.211 -1.365 605 3HG2 VAL 104 HG23 VAL 104 -1.103 5.957 0.253 606 H LYS 105 HN LYS 105 0.161 8.214 1.792 607 HA LYS 105 HA LYS 105 1.685 10.570 0.748 608 1HB LYS 105 HB2 LYS 105 1.163 9.652 3.444 609 2HB LYS 105 HB1 LYS 105 2.898 9.666 3.128 610 1HG LYS 105 HG2 LYS 105 2.948 11.957 2.726 611 2HG LYS 105 HG1 LYS 105 1.247 12.015 2.263 612 1HD LYS 105 HD2 LYS 105 0.574 11.643 4.592 613 2HD LYS 105 HD1 LYS 105 2.265 11.514 5.076 614 1HE LYS 105 HE2 LYS 105 2.451 13.752 5.219 615 2HE LYS 105 HE1 LYS 105 1.854 13.945 3.570 616 1HZ LYS 105 HZ1 LYS 105 0.543 14.746 5.773 617 2HZ LYS 105 HZ2 LYS 105 -0.168 13.227 5.499 618 3HZ LYS 105 HZ3 LYS 105 -0.197 14.414 4.284 619 H LEU 106 HN LEU 106 3.139 9.830 -0.729 620 HA LEU 106 HA LEU 106 4.016 7.234 -1.169 621 1HB LEU 106 HB2 LEU 106 4.954 9.899 -1.864 622 2HB LEU 106 HB1 LEU 106 6.303 8.784 -1.638 623 HG LEU 106 HG LEU 106 3.897 8.322 -3.426 624 1HD1 LEU 106 HD11 LEU 106 6.195 9.831 -3.886 625 2HD1 LEU 106 HD12 LEU 106 5.129 9.165 -5.123 626 3HD1 LEU 106 HD13 LEU 106 6.562 8.270 -4.619 627 1HD2 LEU 106 HD21 LEU 106 4.484 6.163 -2.805 628 2HD2 LEU 106 HD22 LEU 106 6.165 6.598 -2.497 629 3HD2 LEU 106 HD23 LEU 106 5.593 6.407 -4.155 630 H ALA 107 HN ALA 107 6.467 9.409 0.164 631 HA ALA 107 HA ALA 107 6.834 8.416 2.727 632 1HB ALA 107 HB1 ALA 107 7.397 6.246 2.510 633 2HB ALA 107 HB2 ALA 107 8.845 6.756 1.643 634 3HB ALA 107 HB3 ALA 107 7.372 6.375 0.751 635 H GLY 108 HN GLY 108 8.781 8.769 -0.256 636 1HA GLY 108 HA2 GLY 108 10.164 10.820 -0.487 637 2HA GLY 108 HA1 GLY 108 10.472 10.724 1.248 638 H GLY 109 HN GLY 109 12.568 10.154 1.557 639 1HA GLY 109 HA2 GLY 109 13.985 8.023 1.495 640 2HA GLY 109 HA1 GLY 109 13.725 8.069 -0.249 641 H LEU 110 HN LEU 110 16.320 8.098 0.668 642 HA LEU 110 HA LEU 110 17.375 10.468 -0.545 643 1HB LEU 110 HB2 LEU 110 16.726 10.679 2.263 644 2HB LEU 110 HB1 LEU 110 18.470 10.816 2.036 645 HG LEU 110 HG LEU 110 16.881 12.302 0.050 646 1HD1 LEU 110 HD11 LEU 110 16.375 12.602 2.934 647 2HD1 LEU 110 HD12 LEU 110 15.439 13.192 1.561 648 3HD1 LEU 110 HD13 LEU 110 16.834 14.105 2.133 649 1HD2 LEU 110 HD21 LEU 110 18.613 14.035 1.293 650 2HD2 LEU 110 HD22 LEU 110 19.043 13.008 -0.075 651 3HD2 LEU 110 HD23 LEU 110 19.406 12.484 1.570 652 H GLU 111 HN GLU 111 19.888 10.616 0.317 653 HA GLU 111 HA GLU 111 20.915 7.877 0.799 654 1HB GLU 111 HB2 GLU 111 21.827 9.564 -1.551 655 2HB GLU 111 HB1 GLU 111 22.406 7.953 -1.125 656 1HG GLU 111 HG2 GLU 111 20.179 7.015 -1.514 657 2HG GLU 111 HG1 GLU 111 19.543 8.623 -1.864 Start of MODEL 14 1 HA LYS 29 HA LYS 29 -1.496 21.675 -1.589 2 1HB LYS 29 HB2 LYS 29 -3.446 22.020 0.678 3 2HB LYS 29 HB1 LYS 29 -1.753 21.657 1.014 4 1HG LYS 29 HG2 LYS 29 -1.110 23.608 -0.428 5 2HG LYS 29 HG1 LYS 29 -2.821 24.011 -0.569 6 1HD LYS 29 HD2 LYS 29 -3.015 24.540 1.715 7 2HD LYS 29 HD1 LYS 29 -1.552 23.650 2.139 8 1HE LYS 29 HE2 LYS 29 -0.905 25.687 0.208 9 2HE LYS 29 HE1 LYS 29 -1.777 26.414 1.557 10 1HZ LYS 29 HZ1 LYS 29 -0.127 24.800 2.862 11 2HZ LYS 29 HZ2 LYS 29 0.260 26.409 2.478 12 3HZ LYS 29 HZ3 LYS 29 0.833 25.139 1.506 13 H GLY 30 HN GLY 30 -3.681 19.808 0.546 14 1HA GLY 30 HA2 GLY 30 -3.125 17.233 -0.416 15 2HA GLY 30 HA1 GLY 30 -1.832 17.604 0.726 16 H ASP 31 HN ASP 31 -3.266 15.560 1.556 17 HA ASP 31 HA ASP 31 -4.440 16.408 4.017 18 1HB ASP 31 HB2 ASP 31 -6.215 16.990 2.148 19 2HB ASP 31 HB1 ASP 31 -6.556 15.261 2.225 20 H GLY 32 HN GLY 32 -4.347 13.910 1.501 21 1HA GLY 32 HA2 GLY 32 -4.197 11.874 3.691 22 2HA GLY 32 HA1 GLY 32 -4.956 11.543 2.133 23 H VAL 33 HN VAL 33 -2.669 10.150 3.357 24 HA VAL 33 HA VAL 33 -0.885 10.262 1.026 25 HB VAL 33 HB VAL 33 1.145 10.452 2.594 26 1HG1 VAL 33 HG11 VAL 33 1.241 12.765 2.241 27 2HG1 VAL 33 HG12 VAL 33 -0.479 12.984 2.560 28 3HG1 VAL 33 HG13 VAL 33 0.051 12.258 1.043 29 1HG2 VAL 33 HG21 VAL 33 0.859 11.266 4.763 30 2HG2 VAL 33 HG22 VAL 33 -0.538 10.201 4.612 31 3HG2 VAL 33 HG23 VAL 33 -0.730 11.942 4.408 32 H VAL 34 HN VAL 34 -1.042 8.099 0.569 33 HA VAL 34 HA VAL 34 -1.007 6.128 2.768 34 HB VAL 34 HB VAL 34 -1.028 5.486 -0.180 35 1HG1 VAL 34 HG11 VAL 34 -0.885 3.503 1.043 36 2HG1 VAL 34 HG12 VAL 34 -2.632 3.692 0.891 37 3HG1 VAL 34 HG13 VAL 34 -1.823 4.149 2.390 38 1HG2 VAL 34 HG21 VAL 34 -3.181 6.684 1.529 39 2HG2 VAL 34 HG22 VAL 34 -3.633 5.467 0.335 40 3HG2 VAL 34 HG23 VAL 34 -2.832 6.951 -0.179 41 H ARG 35 HN ARG 35 0.716 4.739 3.171 42 HA ARG 35 HA ARG 35 3.230 5.353 1.682 43 1HB ARG 35 HB2 ARG 35 3.112 5.698 4.210 44 2HB ARG 35 HB1 ARG 35 2.996 3.943 4.350 45 1HG ARG 35 HG2 ARG 35 5.114 3.983 2.773 46 2HG ARG 35 HG1 ARG 35 5.298 5.619 3.409 47 1HD ARG 35 HD2 ARG 35 4.880 3.236 5.220 48 2HD ARG 35 HD1 ARG 35 6.487 3.751 4.706 49 HE ARG 35 HE ARG 35 5.113 6.022 5.740 50 1HH1 ARG 35 HH21 ARG 35 7.316 3.572 6.463 51 2HH1 ARG 35 HH22 ARG 35 7.290 3.822 8.176 52 1HH2 ARG 35 HH11 ARG 35 4.683 6.106 8.071 53 2HH2 ARG 35 HH12 ARG 35 5.799 5.256 9.087 54 H ILE 36 HN ILE 36 3.469 3.867 0.063 55 HA ILE 36 HA ILE 36 2.703 1.041 0.610 56 HB ILE 36 HB ILE 36 3.445 2.391 -2.005 57 1HG1 ILE 36 HG12 ILE 36 0.698 1.405 -1.319 58 2HG1 ILE 36 HG11 ILE 36 1.221 2.959 -0.668 59 1HG2 ILE 36 HG21 ILE 36 3.538 0.310 -2.852 60 2HG2 ILE 36 HG22 ILE 36 1.890 0.012 -2.299 61 3HG2 ILE 36 HG23 ILE 36 3.254 -0.359 -1.245 62 1HD1 ILE 36 HD11 ILE 36 0.640 3.865 -2.650 63 2HD1 ILE 36 HD12 ILE 36 0.431 2.276 -3.385 64 3HD1 ILE 36 HD13 ILE 36 2.027 3.025 -3.343 65 H GLN 37 HN GLN 37 4.293 -0.414 1.032 66 HA GLN 37 HA GLN 37 6.992 0.011 -0.114 67 1HB GLN 37 HB2 GLN 37 8.078 -0.319 2.075 68 2HB GLN 37 HB1 GLN 37 7.053 1.117 2.098 69 1HG GLN 37 HG2 GLN 37 5.226 -0.255 3.108 70 2HG GLN 37 HG1 GLN 37 6.336 -1.623 3.182 71 1HE2 GLN 37 HE21 GLN 37 7.146 -1.830 5.268 72 2HE2 GLN 37 HE22 GLN 37 7.581 -0.539 6.281 73 H ARG 38 HN ARG 38 8.393 -2.015 0.808 74 HA ARG 38 HA ARG 38 6.638 -4.429 0.764 75 1HB ARG 38 HB2 ARG 38 7.574 -3.956 -1.525 76 2HB ARG 38 HB1 ARG 38 9.192 -4.143 -0.846 77 1HG ARG 38 HG2 ARG 38 7.813 -6.397 0.055 78 2HG ARG 38 HG1 ARG 38 7.265 -6.193 -1.609 79 1HD ARG 38 HD2 ARG 38 10.176 -6.192 -0.764 80 2HD ARG 38 HD1 ARG 38 9.333 -7.596 -1.418 81 HE ARG 38 HE ARG 38 8.872 -5.810 -3.384 82 1HH1 ARG 38 HH11 ARG 38 11.435 -4.797 -1.640 83 2HH1 ARG 38 HH12 ARG 38 12.650 -5.084 -2.841 84 1HH2 ARG 38 HH21 ARG 38 10.551 -6.913 -4.908 85 2HH2 ARG 38 HH22 ARG 38 12.149 -6.281 -4.691 86 H GLN 39 HN GLN 39 7.070 -5.461 2.652 87 HA GLN 39 HA GLN 39 9.701 -5.136 3.943 88 1HB GLN 39 HB2 GLN 39 7.655 -5.045 5.320 89 2HB GLN 39 HB1 GLN 39 7.240 -6.683 4.815 90 1HG GLN 39 HG2 GLN 39 8.383 -7.330 6.668 91 2HG GLN 39 HG1 GLN 39 9.822 -7.004 5.701 92 1HE2 GLN 39 HE21 GLN 39 11.039 -6.306 7.615 93 2HE2 GLN 39 HE22 GLN 39 10.716 -4.817 8.362 94 H THR 40 HN THR 40 11.319 -6.608 3.727 95 HA THR 40 HA THR 40 10.794 -9.069 2.189 96 HB THR 40 HB THR 40 13.412 -9.249 2.765 97 HG1 THR 40 HG1 THR 40 14.174 -7.476 3.556 98 1HG2 THR 40 HG21 THR 40 13.191 -7.186 0.790 99 2HG2 THR 40 HG22 THR 40 11.814 -8.275 0.622 100 3HG2 THR 40 HG23 THR 40 13.456 -8.912 0.545 101 H SER 41 HN SER 41 11.567 -11.178 3.013 102 HA SER 41 HA SER 41 11.990 -11.403 5.919 103 1HB SER 41 HB2 SER 41 9.526 -11.345 5.720 104 2HB SER 41 HB1 SER 41 9.589 -12.673 4.564 105 HG SER 41 HG SER 41 9.205 -13.188 6.877 106 H GLY 42 HN GLY 42 13.455 -12.055 3.425 107 1HA GLY 42 HA2 GLY 42 14.883 -14.263 3.962 108 2HA GLY 42 HA1 GLY 42 13.405 -15.010 3.355 109 H ARG 43 HN ARG 43 16.249 -14.773 2.238 110 HA ARG 43 HA ARG 43 15.867 -13.194 -0.207 111 1HB ARG 43 HB2 ARG 43 18.083 -14.348 1.205 112 2HB ARG 43 HB1 ARG 43 18.095 -14.950 -0.453 113 1HG ARG 43 HG2 ARG 43 17.908 -12.626 -1.289 114 2HG ARG 43 HG1 ARG 43 17.941 -12.035 0.373 115 1HD ARG 43 HD2 ARG 43 20.145 -13.295 -1.230 116 2HD ARG 43 HD1 ARG 43 20.187 -11.846 -0.226 117 HE ARG 43 HE ARG 43 20.053 -14.612 0.912 118 1HH1 ARG 43 HH11 ARG 43 20.127 -11.335 1.655 119 2HH1 ARG 43 HH12 ARG 43 21.423 -11.445 2.799 120 1HH2 ARG 43 HH21 ARG 43 22.133 -14.762 2.077 121 2HH2 ARG 43 HH22 ARG 43 22.559 -13.385 3.038 122 H LYS 44 HN LYS 44 13.923 -14.399 -0.928 123 HA LYS 44 HA LYS 44 14.585 -16.421 -2.867 124 1HB LYS 44 HB2 LYS 44 14.021 -17.347 -0.202 125 2HB LYS 44 HB1 LYS 44 12.723 -17.861 -1.280 126 1HG LYS 44 HG2 LYS 44 14.371 -18.819 -2.833 127 2HG LYS 44 HG1 LYS 44 15.684 -18.283 -1.784 128 1HD LYS 44 HD2 LYS 44 14.841 -19.703 0.032 129 2HD LYS 44 HD1 LYS 44 13.489 -20.214 -0.978 130 1HE LYS 44 HE2 LYS 44 14.805 -21.901 -1.694 131 2HE LYS 44 HE1 LYS 44 15.740 -20.683 -2.563 132 1HZ LYS 44 HZ1 LYS 44 16.895 -22.231 -0.851 133 2HZ LYS 44 HZ2 LYS 44 16.268 -21.140 0.291 134 3HZ LYS 44 HZ3 LYS 44 17.320 -20.591 -0.926 135 H GLY 45 HN GLY 45 11.854 -15.467 -0.748 136 1HA GLY 45 HA2 GLY 45 10.410 -14.237 -2.918 137 2HA GLY 45 HA1 GLY 45 9.769 -15.847 -2.586 138 H LYS 46 HN LYS 46 7.917 -15.551 -1.429 139 HA LYS 46 HA LYS 46 6.456 -14.741 0.225 140 1HB LYS 46 HB2 LYS 46 9.006 -15.386 1.454 141 2HB LYS 46 HB1 LYS 46 8.200 -14.081 2.326 142 1HG LYS 46 HG2 LYS 46 6.703 -16.567 1.502 143 2HG LYS 46 HG1 LYS 46 7.616 -16.505 3.010 144 1HD LYS 46 HD2 LYS 46 6.027 -15.264 4.018 145 2HD LYS 46 HD1 LYS 46 5.973 -14.128 2.669 146 1HE LYS 46 HE2 LYS 46 3.800 -15.107 2.759 147 2HE LYS 46 HE1 LYS 46 4.621 -15.904 1.417 148 1HZ LYS 46 HZ1 LYS 46 3.913 -16.956 4.054 149 2HZ LYS 46 HZ2 LYS 46 5.330 -17.539 3.320 150 3HZ LYS 46 HZ3 LYS 46 3.833 -17.704 2.535 151 H GLY 47 HN GLY 47 6.248 -12.770 -1.218 152 1HA GLY 47 HA2 GLY 47 7.512 -10.366 0.028 153 2HA GLY 47 HA1 GLY 47 6.919 -10.429 -1.632 154 H VAL 48 HN VAL 48 6.175 -8.664 0.721 155 HA VAL 48 HA VAL 48 3.243 -8.969 0.377 156 HB VAL 48 HB VAL 48 2.848 -8.672 2.788 157 1HG1 VAL 48 HG11 VAL 48 3.861 -10.892 3.547 158 2HG1 VAL 48 HG12 VAL 48 4.646 -10.963 1.969 159 3HG1 VAL 48 HG13 VAL 48 2.886 -10.954 2.078 160 1HG2 VAL 48 HG21 VAL 48 4.528 -8.319 4.333 161 2HG2 VAL 48 HG22 VAL 48 5.292 -7.578 2.926 162 3HG2 VAL 48 HG23 VAL 48 5.719 -9.223 3.398 163 H CYS 49 HN CYS 49 2.107 -6.963 0.695 164 HA CYS 49 HA CYS 49 3.914 -4.584 0.635 165 1HB CYS 49 HB2 CYS 49 1.915 -5.379 -1.147 166 2HB CYS 49 HB1 CYS 49 1.162 -4.099 -0.196 167 HG CYS 49 HG CYS 49 3.976 -3.464 -1.313 168 H LEU 50 HN LEU 50 3.914 -3.483 2.530 169 HA LEU 50 HA LEU 50 1.549 -3.698 4.314 170 1HB LEU 50 HB2 LEU 50 4.310 -2.537 4.801 171 2HB LEU 50 HB1 LEU 50 3.037 -2.674 6.014 172 HG LEU 50 HG LEU 50 3.270 -5.229 4.822 173 1HD1 LEU 50 HD11 LEU 50 5.418 -5.150 4.037 174 2HD1 LEU 50 HD12 LEU 50 5.818 -5.405 5.735 175 3HD1 LEU 50 HD13 LEU 50 5.848 -3.777 5.056 176 1HD2 LEU 50 HD21 LEU 50 2.998 -4.137 7.320 177 2HD2 LEU 50 HD22 LEU 50 4.642 -4.771 7.399 178 3HD2 LEU 50 HD23 LEU 50 3.298 -5.848 7.016 179 H ILE 51 HN ILE 51 0.442 -1.828 5.045 180 HA ILE 51 HA ILE 51 1.171 0.741 3.719 181 HB ILE 51 HB ILE 51 -1.713 -0.071 3.962 182 1HG1 ILE 51 HG12 ILE 51 -0.391 -1.882 2.750 183 2HG1 ILE 51 HG11 ILE 51 -1.672 -1.124 1.803 184 1HG2 ILE 51 HG21 ILE 51 -1.716 2.092 3.224 185 2HG2 ILE 51 HG22 ILE 51 -1.419 1.337 1.658 186 3HG2 ILE 51 HG23 ILE 51 -0.072 1.986 2.594 187 1HD1 ILE 51 HD11 ILE 51 0.887 -1.394 0.919 188 2HD1 ILE 51 HD12 ILE 51 0.969 0.208 1.654 189 3HD1 ILE 51 HD13 ILE 51 -0.202 -0.118 0.376 190 H THR 52 HN THR 52 1.250 2.347 5.216 191 HA THR 52 HA THR 52 -0.680 2.441 7.421 192 HB THR 52 HB THR 52 0.882 0.968 8.482 193 HG1 THR 52 HG1 THR 52 0.590 2.359 10.037 194 1HG2 THR 52 HG21 THR 52 2.726 1.194 6.900 195 2HG2 THR 52 HG22 THR 52 3.317 1.489 8.535 196 3HG2 THR 52 HG23 THR 52 3.024 2.844 7.445 197 H GLY 53 HN GLY 53 -0.223 4.455 8.796 198 1HA GLY 53 HA2 GLY 53 0.697 6.674 8.993 199 2HA GLY 53 HA1 GLY 53 1.388 6.501 7.379 200 H VAL 54 HN VAL 54 -1.267 5.404 6.409 201 HA VAL 54 HA VAL 54 -2.340 7.705 5.241 202 HB VAL 54 HB VAL 54 -2.967 5.422 4.550 203 1HG1 VAL 54 HG11 VAL 54 -3.731 3.907 6.032 204 2HG1 VAL 54 HG12 VAL 54 -5.045 4.979 6.518 205 3HG1 VAL 54 HG13 VAL 54 -3.471 5.101 7.304 206 1HG2 VAL 54 HG21 VAL 54 -4.468 7.480 4.174 207 2HG2 VAL 54 HG22 VAL 54 -5.465 6.848 5.484 208 3HG2 VAL 54 HG23 VAL 54 -5.237 5.901 4.014 209 H ASP 55 HN ASP 55 -2.884 9.495 6.424 210 HA ASP 55 HA ASP 55 -4.426 9.113 8.942 211 1HB ASP 55 HB2 ASP 55 -2.677 11.271 7.841 212 2HB ASP 55 HB1 ASP 55 -3.984 11.749 8.924 213 H LEU 56 HN LEU 56 -6.373 8.542 7.647 214 HA LEU 56 HA LEU 56 -7.800 11.017 6.802 215 1HB LEU 56 HB2 LEU 56 -7.393 8.494 5.221 216 2HB LEU 56 HB1 LEU 56 -8.879 9.420 5.012 217 HG LEU 56 HG LEU 56 -6.070 10.527 4.722 218 1HD1 LEU 56 HD11 LEU 56 -6.229 9.536 2.686 219 2HD1 LEU 56 HD12 LEU 56 -7.373 10.825 2.315 220 3HD1 LEU 56 HD13 LEU 56 -7.961 9.254 2.860 221 1HD2 LEU 56 HD21 LEU 56 -7.180 12.462 5.192 222 2HD2 LEU 56 HD22 LEU 56 -8.761 11.731 4.916 223 3HD2 LEU 56 HD23 LEU 56 -7.802 12.300 3.550 224 H ASP 57 HN ASP 57 -10.257 10.066 6.270 225 HA ASP 57 HA ASP 57 -11.265 9.316 8.862 226 1HB ASP 57 HB2 ASP 57 -12.355 10.386 6.548 227 2HB ASP 57 HB1 ASP 57 -13.065 8.773 6.614 228 H ASP 58 HN ASP 58 -11.835 7.300 9.645 229 HA ASP 58 HA ASP 58 -10.607 4.965 8.716 230 1HB ASP 58 HB2 ASP 58 -12.771 5.609 10.591 231 2HB ASP 58 HB1 ASP 58 -12.935 4.009 9.866 232 H ALA 59 HN ALA 59 -13.640 6.422 7.685 233 HA ALA 59 HA ALA 59 -14.661 4.170 6.235 234 1HB ALA 59 HB1 ALA 59 -15.054 7.127 5.679 235 2HB ALA 59 HB2 ALA 59 -16.026 6.164 6.793 236 3HB ALA 59 HB3 ALA 59 -16.062 5.817 5.064 237 H GLU 60 HN GLU 60 -12.573 6.889 5.260 238 HA GLU 60 HA GLU 60 -12.378 6.109 2.502 239 1HB GLU 60 HB2 GLU 60 -10.537 7.744 4.270 240 2HB GLU 60 HB1 GLU 60 -10.302 7.548 2.533 241 1HG GLU 60 HG2 GLU 60 -12.438 8.579 2.059 242 2HG GLU 60 HG1 GLU 60 -12.851 8.615 3.773 243 H LEU 61 HN LEU 61 -10.550 5.230 5.399 244 HA LEU 61 HA LEU 61 -8.370 3.919 4.128 245 1HB LEU 61 HB2 LEU 61 -9.583 3.961 6.803 246 2HB LEU 61 HB1 LEU 61 -8.829 2.418 6.403 247 HG LEU 61 HG LEU 61 -7.087 4.476 5.486 248 1HD1 LEU 61 HD11 LEU 61 -8.571 5.194 7.885 249 2HD1 LEU 61 HD12 LEU 61 -7.427 6.158 6.952 250 3HD1 LEU 61 HD13 LEU 61 -6.842 5.070 8.210 251 1HD2 LEU 61 HD21 LEU 61 -5.666 2.929 6.301 252 2HD2 LEU 61 HD22 LEU 61 -7.043 2.051 6.966 253 3HD2 LEU 61 HD23 LEU 61 -6.213 3.260 7.945 254 H THR 62 HN THR 62 -11.539 2.638 5.170 255 HA THR 62 HA THR 62 -11.009 -0.029 4.183 256 HB THR 62 HB THR 62 -13.492 -0.315 4.437 257 HG1 THR 62 HG1 THR 62 -13.933 1.917 3.911 258 1HG2 THR 62 HG21 THR 62 -13.502 0.071 6.895 259 2HG2 THR 62 HG22 THR 62 -12.023 1.017 6.729 260 3HG2 THR 62 HG23 THR 62 -12.016 -0.705 6.345 261 H LYS 63 HN LYS 63 -12.056 2.935 2.715 262 HA LYS 63 HA LYS 63 -13.358 1.750 0.416 263 1HB LYS 63 HB2 LYS 63 -12.198 4.485 0.978 264 2HB LYS 63 HB1 LYS 63 -12.900 4.071 -0.587 265 1HG LYS 63 HG2 LYS 63 -14.634 3.231 1.588 266 2HG LYS 63 HG1 LYS 63 -14.290 4.959 1.681 267 1HD LYS 63 HD2 LYS 63 -14.743 4.337 -1.059 268 2HD LYS 63 HD1 LYS 63 -16.044 3.592 -0.130 269 1HE LYS 63 HE2 LYS 63 -16.831 5.782 -0.545 270 2HE LYS 63 HE1 LYS 63 -16.200 5.864 1.100 271 1HZ LYS 63 HZ1 LYS 63 -14.015 6.427 -0.317 272 2HZ LYS 63 HZ2 LYS 63 -15.078 7.609 0.282 273 3HZ LYS 63 HZ3 LYS 63 -15.203 7.089 -1.331 274 H LEU 64 HN LEU 64 -10.063 2.938 1.064 275 HA LEU 64 HA LEU 64 -9.125 2.327 -1.620 276 1HB LEU 64 HB2 LEU 64 -8.132 3.746 0.584 277 2HB LEU 64 HB1 LEU 64 -7.036 2.375 0.405 278 HG LEU 64 HG LEU 64 -7.867 4.135 -1.913 279 1HD1 LEU 64 HD11 LEU 64 -5.459 5.012 -1.619 280 2HD1 LEU 64 HD12 LEU 64 -5.550 4.349 0.013 281 3HD1 LEU 64 HD13 LEU 64 -6.674 5.612 -0.490 282 1HD2 LEU 64 HD21 LEU 64 -7.046 1.884 -2.488 283 2HD2 LEU 64 HD22 LEU 64 -5.606 2.150 -1.506 284 3HD2 LEU 64 HD23 LEU 64 -5.869 3.108 -2.963 285 H ALA 65 HN ALA 65 -9.181 0.647 1.487 286 HA ALA 65 HA ALA 65 -7.422 -1.495 0.806 287 1HB ALA 65 HB1 ALA 65 -9.679 -2.312 2.474 288 2HB ALA 65 HB2 ALA 65 -8.964 -0.795 3.018 289 3HB ALA 65 HB3 ALA 65 -7.962 -2.239 2.872 290 H ALA 66 HN ALA 66 -11.003 -1.372 0.679 291 HA ALA 66 HA ALA 66 -11.272 -3.892 -0.663 292 1HB ALA 66 HB1 ALA 66 -13.101 -2.572 0.542 293 2HB ALA 66 HB2 ALA 66 -13.561 -3.284 -1.004 294 3HB ALA 66 HB3 ALA 66 -13.190 -1.563 -0.901 295 H GLU 67 HN GLU 67 -10.967 -0.557 -1.839 296 HA GLU 67 HA GLU 67 -11.487 -0.993 -4.578 297 1HB GLU 67 HB2 GLU 67 -9.894 0.973 -3.010 298 2HB GLU 67 HB1 GLU 67 -9.534 0.862 -4.733 299 1HG GLU 67 HG2 GLU 67 -12.128 0.967 -5.030 300 2HG GLU 67 HG1 GLU 67 -12.117 1.624 -3.392 301 H LEU 68 HN LEU 68 -8.526 -1.547 -2.705 302 HA LEU 68 HA LEU 68 -7.027 -2.382 -5.082 303 1HB LEU 68 HB2 LEU 68 -6.455 -2.242 -2.131 304 2HB LEU 68 HB1 LEU 68 -5.390 -3.166 -3.191 305 HG LEU 68 HG LEU 68 -6.169 -0.357 -3.929 306 1HD1 LEU 68 HD11 LEU 68 -5.073 -0.797 -1.493 307 2HD1 LEU 68 HD12 LEU 68 -4.695 0.620 -2.473 308 3HD1 LEU 68 HD13 LEU 68 -3.610 -0.771 -2.477 309 1HD2 LEU 68 HD21 LEU 68 -3.441 -1.373 -4.368 310 2HD2 LEU 68 HD22 LEU 68 -4.550 -0.605 -5.504 311 3HD2 LEU 68 HD23 LEU 68 -4.690 -2.330 -5.165 312 H LYS 69 HN LYS 69 -9.049 -3.864 -2.678 313 HA LYS 69 HA LYS 69 -8.039 -6.558 -2.960 314 1HB LYS 69 HB2 LYS 69 -9.502 -5.671 -1.067 315 2HB LYS 69 HB1 LYS 69 -10.858 -5.770 -2.190 316 1HG LYS 69 HG2 LYS 69 -10.102 -8.214 -2.578 317 2HG LYS 69 HG1 LYS 69 -9.161 -8.012 -1.100 318 1HD LYS 69 HD2 LYS 69 -11.117 -7.569 0.200 319 2HD LYS 69 HD1 LYS 69 -12.115 -7.377 -1.242 320 1HE LYS 69 HE2 LYS 69 -12.140 -9.675 -1.691 321 2HE LYS 69 HE1 LYS 69 -10.684 -9.974 -0.743 322 1HZ LYS 69 HZ1 LYS 69 -13.145 -8.972 0.538 323 2HZ LYS 69 HZ2 LYS 69 -11.836 -9.796 1.241 324 3HZ LYS 69 HZ3 LYS 69 -12.934 -10.629 0.248 325 H LYS 70 HN LYS 70 -10.145 -4.546 -4.850 326 HA LYS 70 HA LYS 70 -11.441 -6.738 -6.269 327 1HB LYS 70 HB2 LYS 70 -11.601 -3.844 -6.209 328 2HB LYS 70 HB1 LYS 70 -11.544 -4.427 -7.873 329 1HG LYS 70 HG2 LYS 70 -13.327 -5.862 -5.951 330 2HG LYS 70 HG1 LYS 70 -13.848 -4.284 -6.540 331 1HD LYS 70 HD2 LYS 70 -13.581 -5.046 -8.864 332 2HD LYS 70 HD1 LYS 70 -13.024 -6.619 -8.292 333 1HE LYS 70 HE2 LYS 70 -15.237 -6.800 -7.035 334 2HE LYS 70 HE1 LYS 70 -15.770 -5.395 -7.959 335 1HZ LYS 70 HZ1 LYS 70 -14.792 -6.926 -9.900 336 2HZ LYS 70 HZ2 LYS 70 -16.418 -6.963 -9.411 337 3HZ LYS 70 HZ3 LYS 70 -15.327 -8.128 -8.830 338 H LYS 71 HN LYS 71 -8.303 -5.756 -6.247 339 HA LYS 71 HA LYS 71 -7.935 -6.441 -9.137 340 1HB LYS 71 HB2 LYS 71 -7.223 -4.098 -8.199 341 2HB LYS 71 HB1 LYS 71 -5.861 -4.987 -7.516 342 1HG LYS 71 HG2 LYS 71 -4.888 -5.293 -9.545 343 2HG LYS 71 HG1 LYS 71 -6.428 -5.633 -10.335 344 1HD LYS 71 HD2 LYS 71 -6.888 -3.088 -10.013 345 2HD LYS 71 HD1 LYS 71 -5.143 -2.967 -9.781 346 1HE LYS 71 HE2 LYS 71 -4.720 -3.931 -11.960 347 2HE LYS 71 HE1 LYS 71 -6.432 -4.292 -12.183 348 1HZ LYS 71 HZ1 LYS 71 -5.506 -2.198 -13.269 349 2HZ LYS 71 HZ2 LYS 71 -5.493 -1.532 -11.706 350 3HZ LYS 71 HZ3 LYS 71 -6.955 -2.052 -12.399 351 H CYS 72 HN CYS 72 -7.984 -8.028 -6.441 352 HA CYS 72 HA CYS 72 -5.328 -9.353 -6.818 353 1HB CYS 72 HB2 CYS 72 -6.820 -8.570 -4.443 354 2HB CYS 72 HB1 CYS 72 -6.433 -10.291 -4.424 355 HG CYS 72 HG CYS 72 -4.230 -9.427 -3.609 356 H GLY 73 HN GLY 73 -8.812 -9.840 -6.558 357 1HA GLY 73 HA2 GLY 73 -10.027 -11.606 -7.611 358 2HA GLY 73 HA1 GLY 73 -8.503 -12.449 -7.898 359 H CYS 74 HN CYS 74 -7.456 -12.470 -5.295 360 HA CYS 74 HA CYS 74 -9.478 -13.585 -3.484 361 1HB CYS 74 HB2 CYS 74 -8.767 -15.419 -5.176 362 2HB CYS 74 HB1 CYS 74 -7.230 -15.417 -4.312 363 HG CYS 74 HG CYS 74 -9.965 -16.238 -3.056 364 H GLY 75 HN GLY 75 -8.850 -12.602 -1.620 365 1HA GLY 75 HA2 GLY 75 -7.084 -12.915 0.200 366 2HA GLY 75 HA1 GLY 75 -5.918 -12.458 -1.042 367 H GLY 76 HN GLY 76 -5.757 -10.871 1.057 368 1HA GLY 76 HA2 GLY 76 -5.635 -8.378 0.876 369 2HA GLY 76 HA1 GLY 76 -7.299 -8.423 0.291 370 H ALA 77 HN ALA 77 -5.388 -8.009 3.038 371 HA ALA 77 HA ALA 77 -7.766 -8.495 4.789 372 1HB ALA 77 HB1 ALA 77 -5.682 -8.579 6.538 373 2HB ALA 77 HB2 ALA 77 -4.921 -9.259 5.099 374 3HB ALA 77 HB3 ALA 77 -6.369 -10.011 5.770 375 H VAL 78 HN VAL 78 -8.551 -6.619 5.590 376 HA VAL 78 HA VAL 78 -6.688 -4.291 5.815 377 HB VAL 78 HB VAL 78 -8.535 -3.828 4.315 378 1HG1 VAL 78 HG11 VAL 78 -10.013 -5.349 6.354 379 2HG1 VAL 78 HG12 VAL 78 -10.359 -5.139 4.637 380 3HG1 VAL 78 HG13 VAL 78 -10.859 -3.906 5.795 381 1HG2 VAL 78 HG21 VAL 78 -9.009 -2.609 7.055 382 2HG2 VAL 78 HG22 VAL 78 -9.645 -1.968 5.541 383 3HG2 VAL 78 HG23 VAL 78 -7.904 -1.996 5.825 384 H LYS 79 HN LYS 79 -6.476 -3.281 7.816 385 HA LYS 79 HA LYS 79 -8.165 -4.350 10.039 386 1HB LYS 79 HB2 LYS 79 -5.177 -4.140 9.837 387 2HB LYS 79 HB1 LYS 79 -5.948 -3.950 11.412 388 1HG LYS 79 HG2 LYS 79 -7.236 -6.136 10.743 389 2HG LYS 79 HG1 LYS 79 -5.902 -6.353 9.609 390 1HD LYS 79 HD2 LYS 79 -4.288 -6.416 11.351 391 2HD LYS 79 HD1 LYS 79 -5.424 -5.768 12.534 392 1HE LYS 79 HE2 LYS 79 -6.746 -7.812 12.452 393 2HE LYS 79 HE1 LYS 79 -5.726 -8.455 11.164 394 1HZ LYS 79 HZ1 LYS 79 -4.526 -7.625 13.721 395 2HZ LYS 79 HZ2 LYS 79 -3.961 -8.758 12.587 396 3HZ LYS 79 HZ3 LYS 79 -5.275 -9.142 13.594 397 H ASP 80 HN ASP 80 -8.941 -2.791 11.421 398 HA ASP 80 HA ASP 80 -8.952 -0.062 10.697 399 1HB ASP 80 HB2 ASP 80 -9.795 -1.656 13.012 400 2HB ASP 80 HB1 ASP 80 -9.321 -0.012 13.440 401 H GLY 81 HN GLY 81 -6.773 0.587 10.264 402 1HA GLY 81 HA2 GLY 81 -5.312 2.159 11.766 403 2HA GLY 81 HA1 GLY 81 -4.943 0.657 12.615 404 H VAL 82 HN VAL 82 -4.721 -1.115 10.470 405 HA VAL 82 HA VAL 82 -2.620 0.084 8.729 406 HB VAL 82 HB VAL 82 -2.219 -2.642 9.939 407 1HG1 VAL 82 HG11 VAL 82 -0.812 -0.879 8.162 408 2HG1 VAL 82 HG12 VAL 82 -0.358 -2.503 8.682 409 3HG1 VAL 82 HG13 VAL 82 0.153 -1.101 9.622 410 1HG2 VAL 82 HG21 VAL 82 -2.406 -1.403 11.932 411 2HG2 VAL 82 HG22 VAL 82 -1.727 0.051 11.200 412 3HG2 VAL 82 HG23 VAL 82 -0.680 -1.316 11.579 413 H ILE 83 HN ILE 83 -2.345 -1.049 6.717 414 HA ILE 83 HA ILE 83 -4.495 -3.052 6.146 415 HB ILE 83 HB ILE 83 -3.432 -0.977 4.209 416 1HG1 ILE 83 HG12 ILE 83 -6.184 -0.588 4.887 417 2HG1 ILE 83 HG11 ILE 83 -5.260 -0.666 6.387 418 1HG2 ILE 83 HG21 ILE 83 -4.653 -3.339 3.658 419 2HG2 ILE 83 HG22 ILE 83 -4.842 -1.897 2.661 420 3HG2 ILE 83 HG23 ILE 83 -6.064 -2.302 3.867 421 1HD1 ILE 83 HD11 ILE 83 -4.285 1.335 6.003 422 2HD1 ILE 83 HD12 ILE 83 -5.486 1.559 4.731 423 3HD1 ILE 83 HD13 ILE 83 -3.896 0.905 4.337 424 H GLU 84 HN GLU 84 -3.856 -4.843 4.948 425 HA GLU 84 HA GLU 84 -1.017 -4.885 4.010 426 1HB GLU 84 HB2 GLU 84 -2.346 -6.581 5.992 427 2HB GLU 84 HB1 GLU 84 -1.606 -7.514 4.690 428 1HG GLU 84 HG2 GLU 84 0.518 -6.265 5.037 429 2HG GLU 84 HG1 GLU 84 -0.227 -5.416 6.392 430 H ILE 85 HN ILE 85 -0.724 -5.839 2.000 431 HA ILE 85 HA ILE 85 -2.852 -7.494 0.825 432 HB ILE 85 HB ILE 85 -2.132 -4.764 -0.276 433 1HG1 ILE 85 HG12 ILE 85 -4.702 -6.051 0.692 434 2HG1 ILE 85 HG11 ILE 85 -3.872 -4.666 1.403 435 1HG2 ILE 85 HG21 ILE 85 -2.189 -6.398 -2.102 436 2HG2 ILE 85 HG22 ILE 85 -3.624 -5.375 -2.169 437 3HG2 ILE 85 HG23 ILE 85 -3.739 -7.013 -1.526 438 1HD1 ILE 85 HD11 ILE 85 -5.596 -4.804 -1.014 439 2HD1 ILE 85 HD12 ILE 85 -4.185 -3.750 -1.120 440 3HD1 ILE 85 HD13 ILE 85 -5.385 -3.492 0.146 441 H GLN 86 HN GLN 86 -1.962 -8.940 -0.606 442 HA GLN 86 HA GLN 86 0.944 -8.863 -0.989 443 1HB GLN 86 HB2 GLN 86 -0.924 -10.895 -0.784 444 2HB GLN 86 HB1 GLN 86 -0.547 -10.884 -2.507 445 1HG GLN 86 HG2 GLN 86 1.875 -10.971 -1.956 446 2HG GLN 86 HG1 GLN 86 1.463 -11.061 -0.243 447 1HE2 GLN 86 HE21 GLN 86 2.819 -13.229 -0.836 448 2HE2 GLN 86 HE22 GLN 86 1.848 -14.578 -1.180 449 H GLY 87 HN GLY 87 1.736 -7.578 -2.588 450 1HA GLY 87 HA2 GLY 87 0.405 -7.712 -5.254 451 2HA GLY 87 HA1 GLY 87 0.828 -6.141 -4.571 452 H ASP 88 HN ASP 88 3.313 -6.882 -3.387 453 HA ASP 88 HA ASP 88 5.573 -6.811 -4.052 454 1HB ASP 88 HB2 ASP 88 4.714 -9.113 -5.825 455 2HB ASP 88 HB1 ASP 88 6.317 -8.825 -5.148 456 H LYS 89 HN LYS 89 3.824 -5.068 -5.564 457 HA LYS 89 HA LYS 89 5.412 -4.956 -8.082 458 1HB LYS 89 HB2 LYS 89 2.549 -5.427 -7.845 459 2HB LYS 89 HB1 LYS 89 2.887 -3.963 -8.769 460 1HG LYS 89 HG2 LYS 89 4.457 -5.238 -10.198 461 2HG LYS 89 HG1 LYS 89 4.078 -6.703 -9.291 462 1HD LYS 89 HD2 LYS 89 1.741 -6.574 -9.979 463 2HD LYS 89 HD1 LYS 89 2.039 -5.040 -10.798 464 1HE LYS 89 HE2 LYS 89 2.411 -6.303 -12.643 465 2HE LYS 89 HE1 LYS 89 3.966 -6.676 -11.900 466 1HZ LYS 89 HZ1 LYS 89 1.485 -8.233 -11.431 467 2HZ LYS 89 HZ2 LYS 89 3.055 -8.628 -10.916 468 3HZ LYS 89 HZ3 LYS 89 2.667 -8.657 -12.570 469 H ARG 90 HN ARG 90 6.146 -3.420 -6.006 470 HA ARG 90 HA ARG 90 4.853 -1.000 -5.469 471 1HB ARG 90 HB2 ARG 90 7.796 -1.628 -5.783 472 2HB ARG 90 HB1 ARG 90 7.219 -0.049 -5.249 473 1HG ARG 90 HG2 ARG 90 5.780 -1.609 -3.591 474 2HG ARG 90 HG1 ARG 90 7.175 -2.662 -3.826 475 1HD ARG 90 HD2 ARG 90 8.012 0.087 -3.414 476 2HD ARG 90 HD1 ARG 90 7.009 -0.475 -2.076 477 HE ARG 90 HE ARG 90 8.641 -2.227 -1.651 478 1HH1 ARG 90 HH21 ARG 90 9.879 0.584 -2.851 479 2HH1 ARG 90 HH22 ARG 90 11.353 -0.087 -3.465 480 1HH2 ARG 90 HH11 ARG 90 10.354 -3.377 -3.019 481 2HH2 ARG 90 HH12 ARG 90 11.622 -2.329 -3.560 482 H ASP 91 HN ASP 91 6.422 -2.025 -8.413 483 HA ASP 91 HA ASP 91 6.912 0.482 -9.637 484 1HB ASP 91 HB2 ASP 91 6.564 -2.298 -10.520 485 2HB ASP 91 HB1 ASP 91 6.054 -1.113 -11.724 486 H LEU 92 HN LEU 92 3.980 -1.568 -9.880 487 HA LEU 92 HA LEU 92 2.482 0.489 -11.270 488 1HB LEU 92 HB2 LEU 92 1.852 -1.837 -11.563 489 2HB LEU 92 HB1 LEU 92 1.601 -2.029 -9.827 490 HG LEU 92 HG LEU 92 0.081 0.217 -10.899 491 1HD1 LEU 92 HD11 LEU 92 0.046 -1.179 -12.931 492 2HD1 LEU 92 HD12 LEU 92 -1.543 -1.150 -12.166 493 3HD1 LEU 92 HD13 LEU 92 -0.499 -2.559 -11.978 494 1HD2 LEU 92 HD21 LEU 92 -1.759 -1.355 -9.846 495 2HD2 LEU 92 HD22 LEU 92 -0.592 -0.548 -8.799 496 3HD2 LEU 92 HD23 LEU 92 -0.364 -2.243 -9.232 497 H LEU 93 HN LEU 93 2.878 -0.469 -7.897 498 HA LEU 93 HA LEU 93 0.702 0.997 -6.790 499 1HB LEU 93 HB2 LEU 93 3.417 0.271 -5.661 500 2HB LEU 93 HB1 LEU 93 2.155 1.048 -4.705 501 HG LEU 93 HG LEU 93 1.613 -1.484 -6.255 502 1HD1 LEU 93 HD11 LEU 93 1.983 -1.906 -3.414 503 2HD1 LEU 93 HD12 LEU 93 3.455 -1.252 -4.133 504 3HD1 LEU 93 HD13 LEU 93 2.749 -2.738 -4.767 505 1HD2 LEU 93 HD21 LEU 93 0.169 -1.363 -3.855 506 2HD2 LEU 93 HD22 LEU 93 -0.453 -1.016 -5.468 507 3HD2 LEU 93 HD23 LEU 93 0.164 0.293 -4.461 508 H LYS 94 HN LYS 94 3.824 2.021 -7.991 509 HA LYS 94 HA LYS 94 3.933 4.581 -6.706 510 1HB LYS 94 HB2 LYS 94 5.856 3.515 -7.892 511 2HB LYS 94 HB1 LYS 94 5.034 3.808 -9.425 512 1HG LYS 94 HG2 LYS 94 4.928 6.277 -8.691 513 2HG LYS 94 HG1 LYS 94 6.127 5.836 -7.475 514 1HD LYS 94 HD2 LYS 94 7.639 5.020 -9.225 515 2HD LYS 94 HD1 LYS 94 6.434 5.393 -10.459 516 1HE LYS 94 HE2 LYS 94 6.512 7.793 -9.709 517 2HE LYS 94 HE1 LYS 94 7.854 7.365 -8.648 518 1HZ LYS 94 HZ1 LYS 94 8.862 6.387 -10.790 519 2HZ LYS 94 HZ2 LYS 94 8.914 8.069 -10.552 520 3HZ LYS 94 HZ3 LYS 94 7.753 7.391 -11.591 521 H SER 95 HN SER 95 3.125 3.923 -10.137 522 HA SER 95 HA SER 95 1.920 6.481 -10.559 523 1HB SER 95 HB2 SER 95 2.178 3.957 -12.035 524 2HB SER 95 HB1 SER 95 0.671 4.805 -12.371 525 HG SER 95 HG SER 95 2.520 5.430 -13.686 526 H LEU 96 HN LEU 96 0.801 3.706 -8.895 527 HA LEU 96 HA LEU 96 -2.036 4.067 -9.335 528 1HB LEU 96 HB2 LEU 96 -1.276 1.926 -8.537 529 2HB LEU 96 HB1 LEU 96 -0.465 2.667 -7.156 530 HG LEU 96 HG LEU 96 -3.391 3.173 -7.487 531 1HD1 LEU 96 HD11 LEU 96 -2.694 0.761 -5.926 532 2HD1 LEU 96 HD12 LEU 96 -2.540 0.583 -7.673 533 3HD1 LEU 96 HD13 LEU 96 -4.083 1.064 -6.969 534 1HD2 LEU 96 HD21 LEU 96 -2.744 4.203 -5.554 535 2HD2 LEU 96 HD22 LEU 96 -1.308 3.193 -5.383 536 3HD2 LEU 96 HD23 LEU 96 -2.881 2.584 -4.868 537 H LEU 97 HN LEU 97 0.014 4.804 -6.484 538 HA LEU 97 HA LEU 97 -2.013 6.346 -5.162 539 1HB LEU 97 HB2 LEU 97 0.513 5.416 -4.504 540 2HB LEU 97 HB1 LEU 97 0.743 7.163 -4.580 541 HG LEU 97 HG LEU 97 0.060 6.498 -2.317 542 1HD1 LEU 97 HD11 LEU 97 -2.426 7.730 -3.427 543 2HD1 LEU 97 HD12 LEU 97 -0.903 8.584 -3.677 544 3HD1 LEU 97 HD13 LEU 97 -1.454 8.222 -2.041 545 1HD2 LEU 97 HD21 LEU 97 -1.538 4.650 -3.693 546 2HD2 LEU 97 HD22 LEU 97 -2.684 5.774 -2.962 547 3HD2 LEU 97 HD23 LEU 97 -1.517 4.922 -1.951 548 H GLU 98 HN GLU 98 0.465 7.160 -7.531 549 HA GLU 98 HA GLU 98 0.261 10.019 -7.249 550 1HB GLU 98 HB2 GLU 98 1.178 8.243 -9.523 551 2HB GLU 98 HB1 GLU 98 1.237 10.004 -9.603 552 1HG GLU 98 HG2 GLU 98 2.516 8.402 -7.374 553 2HG GLU 98 HG1 GLU 98 3.385 8.910 -8.823 554 H ALA 99 HN ALA 99 -1.631 7.613 -8.953 555 HA ALA 99 HA ALA 99 -2.970 9.371 -10.777 556 1HB ALA 99 HB1 ALA 99 -2.986 6.677 -10.369 557 2HB ALA 99 HB2 ALA 99 -4.187 7.524 -11.343 558 3HB ALA 99 HB3 ALA 99 -4.540 7.120 -9.663 559 H LYS 100 HN LYS 100 -3.500 8.592 -7.382 560 HA LYS 100 HA LYS 100 -6.081 9.969 -7.284 561 1HB LYS 100 HB2 LYS 100 -4.266 8.665 -5.277 562 2HB LYS 100 HB1 LYS 100 -5.543 9.745 -4.715 563 1HG LYS 100 HG2 LYS 100 -7.044 8.321 -6.359 564 2HG LYS 100 HG1 LYS 100 -5.776 7.115 -6.136 565 1HD LYS 100 HD2 LYS 100 -6.065 7.245 -3.695 566 2HD LYS 100 HD1 LYS 100 -7.317 8.470 -3.902 567 1HE LYS 100 HE2 LYS 100 -8.089 6.365 -5.586 568 2HE LYS 100 HE1 LYS 100 -7.531 5.581 -4.108 569 1HZ LYS 100 HZ1 LYS 100 -9.226 6.411 -2.931 570 2HZ LYS 100 HZ2 LYS 100 -9.974 6.635 -4.440 571 3HZ LYS 100 HZ3 LYS 100 -9.164 7.926 -3.690 572 H GLY 101 HN GLY 101 -2.794 10.903 -7.198 573 1HA GLY 101 HA2 GLY 101 -1.927 13.104 -7.098 574 2HA GLY 101 HA1 GLY 101 -3.552 13.690 -6.737 575 H MET 102 HN MET 102 -2.663 11.085 -4.753 576 HA MET 102 HA MET 102 -2.450 12.896 -2.440 577 1HB MET 102 HB2 MET 102 -2.567 9.881 -2.709 578 2HB MET 102 HB1 MET 102 -2.375 10.703 -1.160 579 1HG MET 102 HG2 MET 102 -4.491 12.063 -2.299 580 2HG MET 102 HG1 MET 102 -4.771 10.405 -2.830 581 1HE MET 102 HE1 MET 102 -4.549 8.430 0.523 582 2HE MET 102 HE2 MET 102 -3.154 8.937 -0.427 583 3HE MET 102 HE3 MET 102 -4.603 8.356 -1.244 584 H LYS 103 HN LYS 103 -0.646 12.733 -0.917 585 HA LYS 103 HA LYS 103 1.920 12.486 -2.306 586 1HB LYS 103 HB2 LYS 103 0.927 13.788 0.061 587 2HB LYS 103 HB1 LYS 103 2.325 12.799 0.487 588 1HG LYS 103 HG2 LYS 103 2.589 14.360 -2.017 589 2HG LYS 103 HG1 LYS 103 2.526 15.311 -0.533 590 1HD LYS 103 HD2 LYS 103 4.313 13.807 0.414 591 2HD LYS 103 HD1 LYS 103 4.457 13.069 -1.182 592 1HE LYS 103 HE2 LYS 103 4.941 15.324 -2.138 593 2HE LYS 103 HE1 LYS 103 4.906 15.991 -0.506 594 1HZ LYS 103 HZ1 LYS 103 6.582 13.901 -0.244 595 2HZ LYS 103 HZ2 LYS 103 7.071 15.507 -0.504 596 3HZ LYS 103 HZ3 LYS 103 6.947 14.431 -1.813 597 H VAL 104 HN VAL 104 2.652 10.428 -2.634 598 HA VAL 104 HA VAL 104 2.253 8.424 -0.465 599 HB VAL 104 HB VAL 104 1.516 7.801 -2.757 600 1HG1 VAL 104 HG11 VAL 104 3.503 7.293 -4.353 601 2HG1 VAL 104 HG12 VAL 104 4.407 8.422 -3.345 602 3HG1 VAL 104 HG13 VAL 104 2.966 8.966 -4.204 603 1HG2 VAL 104 HG21 VAL 104 3.937 6.117 -2.289 604 2HG2 VAL 104 HG22 VAL 104 2.262 5.627 -2.544 605 3HG2 VAL 104 HG23 VAL 104 2.772 6.241 -0.971 606 H LYS 105 HN LYS 105 4.078 7.205 0.297 607 HA LYS 105 HA LYS 105 6.699 8.557 -0.213 608 1HB LYS 105 HB2 LYS 105 5.315 7.864 2.240 609 2HB LYS 105 HB1 LYS 105 6.891 7.076 2.171 610 1HG LYS 105 HG2 LYS 105 6.817 9.919 1.317 611 2HG LYS 105 HG1 LYS 105 6.560 9.617 3.036 612 1HD LYS 105 HD2 LYS 105 8.655 8.530 3.273 613 2HD LYS 105 HD1 LYS 105 8.844 8.340 1.529 614 1HE LYS 105 HE2 LYS 105 8.714 10.977 1.537 615 2HE LYS 105 HE1 LYS 105 9.212 10.791 3.218 616 1HZ LYS 105 HZ1 LYS 105 10.620 9.580 0.902 617 2HZ LYS 105 HZ2 LYS 105 11.125 9.554 2.524 618 3HZ LYS 105 HZ3 LYS 105 11.091 11.020 1.666 619 H LEU 106 HN LEU 106 6.931 7.029 -2.053 620 HA LEU 106 HA LEU 106 6.857 4.250 -1.973 621 1HB LEU 106 HB2 LEU 106 7.588 5.871 -3.888 622 2HB LEU 106 HB1 LEU 106 9.211 5.636 -3.239 623 HG LEU 106 HG LEU 106 7.418 3.292 -3.867 624 1HD1 LEU 106 HD11 LEU 106 9.484 3.800 -5.847 625 2HD1 LEU 106 HD12 LEU 106 8.340 5.139 -5.766 626 3HD1 LEU 106 HD13 LEU 106 7.762 3.504 -6.086 627 1HD2 LEU 106 HD21 LEU 106 9.803 2.315 -4.221 628 2HD2 LEU 106 HD22 LEU 106 9.273 2.624 -2.567 629 3HD2 LEU 106 HD23 LEU 106 10.358 3.758 -3.372 630 H ALA 107 HN ALA 107 7.524 3.226 -0.093 631 HA ALA 107 HA ALA 107 10.244 3.836 0.944 632 1HB ALA 107 HB1 ALA 107 9.103 1.877 2.571 633 2HB ALA 107 HB2 ALA 107 7.739 2.895 2.109 634 3HB ALA 107 HB3 ALA 107 9.142 3.609 2.904 635 H GLY 108 HN GLY 108 11.913 2.432 0.600 636 1HA GLY 108 HA2 GLY 108 11.234 -0.313 -0.373 637 2HA GLY 108 HA1 GLY 108 12.501 0.643 -1.144 638 H GLY 109 HN GLY 109 14.386 1.225 0.202 639 1HA GLY 109 HA2 GLY 109 15.666 0.917 2.277 640 2HA GLY 109 HA1 GLY 109 14.748 -0.562 2.566 641 H LEU 110 HN LEU 110 15.176 -2.406 1.128 642 HA LEU 110 HA LEU 110 16.568 -3.773 -0.197 643 1HB LEU 110 HB2 LEU 110 16.817 -1.478 -1.484 644 2HB LEU 110 HB1 LEU 110 18.416 -1.473 -0.740 645 HG LEU 110 HG LEU 110 18.616 -3.897 -1.624 646 1HD1 LEU 110 HD11 LEU 110 15.987 -3.193 -2.527 647 2HD1 LEU 110 HD12 LEU 110 16.845 -4.719 -2.742 648 3HD1 LEU 110 HD13 LEU 110 17.018 -3.435 -3.938 649 1HD2 LEU 110 HD21 LEU 110 19.581 -1.607 -2.551 650 2HD2 LEU 110 HD22 LEU 110 18.461 -1.922 -3.876 651 3HD2 LEU 110 HD23 LEU 110 19.730 -3.087 -3.498 652 H GLU 111 HN GLU 111 16.925 -3.439 2.626 653 HA GLU 111 HA GLU 111 19.896 -3.574 2.903 654 1HB GLU 111 HB2 GLU 111 18.845 -1.934 4.379 655 2HB GLU 111 HB1 GLU 111 17.731 -3.159 4.988 656 1HG GLU 111 HG2 GLU 111 19.514 -4.393 6.018 657 2HG GLU 111 HG1 GLU 111 20.739 -3.417 5.205 Start of MODEL 15 1 HA LYS 29 HA LYS 29 -12.430 17.458 -0.161 2 1HB LYS 29 HB2 LYS 29 -10.389 19.145 -1.644 3 2HB LYS 29 HB1 LYS 29 -11.580 18.074 -2.383 4 1HG LYS 29 HG2 LYS 29 -13.400 19.419 -1.371 5 2HG LYS 29 HG1 LYS 29 -12.196 20.509 -0.682 6 1HD LYS 29 HD2 LYS 29 -11.398 21.088 -2.926 7 2HD LYS 29 HD1 LYS 29 -12.544 19.956 -3.643 8 1HE LYS 29 HE2 LYS 29 -14.403 21.263 -2.562 9 2HE LYS 29 HE1 LYS 29 -13.203 22.456 -2.064 10 1HZ LYS 29 HZ1 LYS 29 -13.090 23.291 -4.110 11 2HZ LYS 29 HZ2 LYS 29 -14.525 22.441 -4.431 12 3HZ LYS 29 HZ3 LYS 29 -13.023 21.763 -4.842 13 H GLY 30 HN GLY 30 -11.040 16.038 1.440 14 1HA GLY 30 HA2 GLY 30 -9.506 14.217 -0.088 15 2HA GLY 30 HA1 GLY 30 -8.371 15.302 0.716 16 H ASP 31 HN ASP 31 -11.281 13.366 1.504 17 HA ASP 31 HA ASP 31 -10.236 13.015 4.257 18 1HB ASP 31 HB2 ASP 31 -12.725 13.522 3.558 19 2HB ASP 31 HB1 ASP 31 -12.789 11.783 3.265 20 H GLY 32 HN GLY 32 -8.631 11.753 2.387 21 1HA GLY 32 HA2 GLY 32 -8.732 9.011 3.300 22 2HA GLY 32 HA1 GLY 32 -9.222 9.136 1.609 23 H VAL 33 HN VAL 33 -6.558 8.954 3.714 24 HA VAL 33 HA VAL 33 -4.726 9.685 1.463 25 HB VAL 33 HB VAL 33 -3.065 10.340 3.153 26 1HG1 VAL 33 HG11 VAL 33 -4.122 12.308 2.725 27 2HG1 VAL 33 HG12 VAL 33 -4.810 12.096 4.335 28 3HG1 VAL 33 HG13 VAL 33 -5.724 11.595 2.913 29 1HG2 VAL 33 HG21 VAL 33 -4.757 8.813 4.857 30 2HG2 VAL 33 HG22 VAL 33 -4.772 10.469 5.464 31 3HG2 VAL 33 HG23 VAL 33 -3.242 9.611 5.278 32 H VAL 34 HN VAL 34 -3.019 8.238 1.055 33 HA VAL 34 HA VAL 34 -3.121 5.685 2.614 34 HB VAL 34 HB VAL 34 -2.585 6.129 -0.337 35 1HG1 VAL 34 HG11 VAL 34 -2.419 3.612 -0.380 36 2HG1 VAL 34 HG12 VAL 34 -2.363 3.643 1.382 37 3HG1 VAL 34 HG13 VAL 34 -1.079 4.407 0.445 38 1HG2 VAL 34 HG21 VAL 34 -4.890 5.258 1.297 39 2HG2 VAL 34 HG22 VAL 34 -4.542 4.231 -0.094 40 3HG2 VAL 34 HG23 VAL 34 -4.859 5.951 -0.325 41 H ARG 35 HN ARG 35 -1.191 5.007 3.466 42 HA ARG 35 HA ARG 35 1.229 6.603 2.746 43 1HB ARG 35 HB2 ARG 35 0.110 5.710 5.263 44 2HB ARG 35 HB1 ARG 35 1.749 5.088 5.066 45 1HG ARG 35 HG2 ARG 35 2.672 7.249 4.841 46 2HG ARG 35 HG1 ARG 35 1.104 7.977 4.490 47 1HD ARG 35 HD2 ARG 35 0.386 7.351 6.829 48 2HD ARG 35 HD1 ARG 35 2.054 6.874 7.147 49 HE ARG 35 HE ARG 35 1.904 9.570 6.097 50 1HH1 ARG 35 HH21 ARG 35 3.274 7.974 8.546 51 2HH1 ARG 35 HH22 ARG 35 2.840 9.067 9.818 52 1HH2 ARG 35 HH11 ARG 35 0.567 10.832 7.884 53 2HH2 ARG 35 HH12 ARG 35 1.307 10.685 9.443 54 H ILE 36 HN ILE 36 2.077 5.395 1.039 55 HA ILE 36 HA ILE 36 2.429 2.471 1.450 56 HB ILE 36 HB ILE 36 2.797 4.244 -0.981 57 1HG1 ILE 36 HG12 ILE 36 0.982 1.980 -1.184 58 2HG1 ILE 36 HG11 ILE 36 0.526 3.041 0.150 59 1HG2 ILE 36 HG21 ILE 36 2.987 1.879 -2.081 60 2HG2 ILE 36 HG22 ILE 36 3.462 1.354 -0.466 61 3HG2 ILE 36 HG23 ILE 36 4.412 2.576 -1.311 62 1HD1 ILE 36 HD11 ILE 36 1.075 4.896 -1.743 63 2HD1 ILE 36 HD12 ILE 36 -0.530 4.203 -1.514 64 3HD1 ILE 36 HD13 ILE 36 0.533 3.570 -2.771 65 H GLN 37 HN GLN 37 4.503 1.529 1.475 66 HA GLN 37 HA GLN 37 6.935 2.884 0.876 67 1HB GLN 37 HB2 GLN 37 7.763 3.300 3.182 68 2HB GLN 37 HB1 GLN 37 6.368 4.307 2.793 69 1HG GLN 37 HG2 GLN 37 5.242 3.443 4.536 70 2HG GLN 37 HG1 GLN 37 5.412 1.826 3.852 71 1HE2 GLN 37 HE21 GLN 37 6.725 4.071 6.226 72 2HE2 GLN 37 HE22 GLN 37 7.811 2.976 6.936 73 H ARG 38 HN ARG 38 8.269 1.195 0.465 74 HA ARG 38 HA ARG 38 7.772 -1.373 1.884 75 1HB ARG 38 HB2 ARG 38 9.156 -2.372 0.093 76 2HB ARG 38 HB1 ARG 38 7.813 -1.448 -0.581 77 1HG ARG 38 HG2 ARG 38 9.305 -0.258 -1.771 78 2HG ARG 38 HG1 ARG 38 9.921 0.397 -0.253 79 1HD ARG 38 HD2 ARG 38 11.498 -1.454 -0.048 80 2HD ARG 38 HD1 ARG 38 10.836 -2.214 -1.495 81 HE ARG 38 HE ARG 38 11.838 -0.439 -2.827 82 1HH1 ARG 38 HH11 ARG 38 14.246 -1.289 -1.409 83 2HH1 ARG 38 HH12 ARG 38 14.837 0.176 -0.699 84 1HH2 ARG 38 HH21 ARG 38 11.837 1.876 -1.064 85 2HH2 ARG 38 HH22 ARG 38 13.473 1.968 -0.503 86 H GLN 39 HN GLN 39 9.245 -2.156 3.338 87 HA GLN 39 HA GLN 39 11.874 -0.736 3.514 88 1HB GLN 39 HB2 GLN 39 11.789 -1.146 5.956 89 2HB GLN 39 HB1 GLN 39 10.422 -0.168 5.419 90 1HG GLN 39 HG2 GLN 39 8.896 -1.901 5.691 91 2HG GLN 39 HG1 GLN 39 10.126 -3.151 5.501 92 1HE2 GLN 39 HE21 GLN 39 8.385 -1.278 7.822 93 2HE2 GLN 39 HE22 GLN 39 9.252 -1.772 9.195 94 H THR 40 HN THR 40 13.694 -2.057 4.021 95 HA THR 40 HA THR 40 13.365 -4.873 3.225 96 HB THR 40 HB THR 40 15.918 -4.851 3.533 97 HG1 THR 40 HG1 THR 40 16.612 -2.532 3.399 98 1HG2 THR 40 HG21 THR 40 14.462 -3.056 1.589 99 2HG2 THR 40 HG22 THR 40 15.057 -4.694 1.320 100 3HG2 THR 40 HG23 THR 40 16.196 -3.356 1.472 101 H SER 41 HN SER 41 13.728 -6.639 4.593 102 HA SER 41 HA SER 41 13.786 -5.980 7.499 103 1HB SER 41 HB2 SER 41 12.656 -8.225 5.879 104 2HB SER 41 HB1 SER 41 13.174 -8.573 7.526 105 HG SER 41 HG SER 41 10.931 -7.816 7.196 106 H GLY 42 HN GLY 42 15.074 -8.506 5.300 107 1HA GLY 42 HA2 GLY 42 17.541 -8.839 5.238 108 2HA GLY 42 HA1 GLY 42 17.558 -8.485 6.966 109 H ARG 43 HN ARG 43 14.940 -10.118 7.115 110 HA ARG 43 HA ARG 43 16.315 -12.759 7.305 111 1HB ARG 43 HB2 ARG 43 14.240 -11.375 8.897 112 2HB ARG 43 HB1 ARG 43 13.954 -13.095 8.631 113 1HG ARG 43 HG2 ARG 43 16.212 -13.609 9.478 114 2HG ARG 43 HG1 ARG 43 16.508 -11.890 9.738 115 1HD ARG 43 HD2 ARG 43 14.638 -11.795 11.335 116 2HD ARG 43 HD1 ARG 43 14.311 -13.507 11.064 117 HE ARG 43 HE ARG 43 17.033 -13.234 11.858 118 1HH1 ARG 43 HH21 ARG 43 14.066 -12.167 13.169 119 2HH1 ARG 43 HH22 ARG 43 14.365 -12.805 14.751 120 1HH2 ARG 43 HH11 ARG 43 17.331 -14.360 13.853 121 2HH2 ARG 43 HH12 ARG 43 16.214 -14.046 15.139 122 H LYS 44 HN LYS 44 12.862 -11.930 6.978 123 HA LYS 44 HA LYS 44 12.807 -13.657 4.535 124 1HB LYS 44 HB2 LYS 44 10.956 -13.552 6.909 125 2HB LYS 44 HB1 LYS 44 10.360 -14.092 5.339 126 1HG LYS 44 HG2 LYS 44 12.021 -15.855 5.246 127 2HG LYS 44 HG1 LYS 44 12.799 -15.255 6.711 128 1HD LYS 44 HD2 LYS 44 10.403 -15.580 7.762 129 2HD LYS 44 HD1 LYS 44 10.183 -16.694 6.412 130 1HE LYS 44 HE2 LYS 44 12.430 -17.729 7.123 131 2HE LYS 44 HE1 LYS 44 12.234 -16.826 8.625 132 1HZ LYS 44 HZ1 LYS 44 9.815 -18.109 8.017 133 2HZ LYS 44 HZ2 LYS 44 10.843 -18.367 9.345 134 3HZ LYS 44 HZ3 LYS 44 11.060 -19.256 7.913 135 H GLY 45 HN GLY 45 12.756 -12.000 3.008 136 1HA GLY 45 HA2 GLY 45 10.499 -10.847 2.064 137 2HA GLY 45 HA1 GLY 45 10.905 -9.735 3.372 138 H LYS 46 HN LYS 46 13.501 -9.314 3.296 139 HA LYS 46 HA LYS 46 15.160 -8.118 2.143 140 1HB LYS 46 HB2 LYS 46 14.325 -9.873 -0.184 141 2HB LYS 46 HB1 LYS 46 15.883 -9.075 0.036 142 1HG LYS 46 HG2 LYS 46 16.422 -10.458 1.922 143 2HG LYS 46 HG1 LYS 46 14.782 -11.105 1.993 144 1HD LYS 46 HD2 LYS 46 15.122 -12.103 -0.271 145 2HD LYS 46 HD1 LYS 46 16.794 -11.544 -0.233 146 1HE LYS 46 HE2 LYS 46 16.510 -12.845 2.199 147 2HE LYS 46 HE1 LYS 46 15.577 -13.852 1.093 148 1HZ LYS 46 HZ1 LYS 46 17.513 -13.828 -0.415 149 2HZ LYS 46 HZ2 LYS 46 17.839 -14.575 1.076 150 3HZ LYS 46 HZ3 LYS 46 18.402 -13.002 0.770 151 H GLY 47 HN GLY 47 12.381 -7.108 2.105 152 1HA GLY 47 HA2 GLY 47 12.163 -4.803 1.004 153 2HA GLY 47 HA1 GLY 47 12.418 -5.665 -0.515 154 H VAL 48 HN VAL 48 10.180 -5.272 2.198 155 HA VAL 48 HA VAL 48 8.062 -6.548 0.514 156 HB VAL 48 HB VAL 48 6.840 -6.867 2.681 157 1HG1 VAL 48 HG11 VAL 48 7.920 -8.825 2.051 158 2HG1 VAL 48 HG12 VAL 48 8.696 -8.517 3.604 159 3HG1 VAL 48 HG13 VAL 48 9.519 -8.083 2.106 160 1HG2 VAL 48 HG21 VAL 48 7.677 -6.133 4.684 161 2HG2 VAL 48 HG22 VAL 48 8.518 -4.969 3.660 162 3HG2 VAL 48 HG23 VAL 48 9.350 -6.425 4.206 163 H CYS 49 HN CYS 49 5.939 -5.498 0.574 164 HA CYS 49 HA CYS 49 6.196 -2.554 0.994 165 1HB CYS 49 HB2 CYS 49 5.530 -3.634 -1.290 166 2HB CYS 49 HB1 CYS 49 3.957 -3.871 -0.529 167 HG CYS 49 HG CYS 49 4.236 -1.456 -1.772 168 H LEU 50 HN LEU 50 5.140 -1.717 2.722 169 HA LEU 50 HA LEU 50 2.860 -3.291 3.854 170 1HB LEU 50 HB2 LEU 50 4.830 -1.457 5.254 171 2HB LEU 50 HB1 LEU 50 3.442 -2.221 6.031 172 HG LEU 50 HG LEU 50 5.004 -4.172 4.555 173 1HD1 LEU 50 HD11 LEU 50 6.619 -3.498 6.865 174 2HD1 LEU 50 HD12 LEU 50 6.561 -2.145 5.735 175 3HD1 LEU 50 HD13 LEU 50 7.120 -3.726 5.190 176 1HD2 LEU 50 HD21 LEU 50 4.383 -3.829 7.508 177 2HD2 LEU 50 HD22 LEU 50 4.935 -5.316 6.736 178 3HD2 LEU 50 HD23 LEU 50 3.350 -4.653 6.340 179 H ILE 51 HN ILE 51 1.018 -2.286 3.166 180 HA ILE 51 HA ILE 51 0.989 0.674 2.946 181 HB ILE 51 HB ILE 51 -1.359 -1.076 2.281 182 1HG1 ILE 51 HG12 ILE 51 0.464 -2.272 1.239 183 2HG1 ILE 51 HG11 ILE 51 -0.335 -1.331 -0.021 184 1HG2 ILE 51 HG21 ILE 51 -2.041 0.968 1.600 185 2HG2 ILE 51 HG22 ILE 51 -0.872 0.816 0.289 186 3HG2 ILE 51 HG23 ILE 51 -0.422 1.643 1.780 187 1HD1 ILE 51 HD11 ILE 51 2.395 -1.114 1.009 188 2HD1 ILE 51 HD12 ILE 51 1.552 0.435 0.995 189 3HD1 ILE 51 HD13 ILE 51 1.712 -0.496 -0.495 190 H THR 52 HN THR 52 0.237 1.834 4.644 191 HA THR 52 HA THR 52 -1.913 0.637 6.330 192 HB THR 52 HB THR 52 0.116 2.317 7.710 193 HG1 THR 52 HG1 THR 52 1.694 0.986 7.406 194 1HG2 THR 52 HG21 THR 52 -2.044 0.746 8.434 195 2HG2 THR 52 HG22 THR 52 -0.790 1.328 9.529 196 3HG2 THR 52 HG23 THR 52 -0.662 -0.280 8.816 197 H GLY 53 HN GLY 53 -2.333 2.716 8.063 198 1HA GLY 53 HA2 GLY 53 -3.329 4.835 8.213 199 2HA GLY 53 HA1 GLY 53 -2.263 5.328 6.896 200 H VAL 54 HN VAL 54 -4.845 2.862 6.982 201 HA VAL 54 HA VAL 54 -5.960 4.083 4.517 202 HB VAL 54 HB VAL 54 -6.947 1.551 5.826 203 1HG1 VAL 54 HG11 VAL 54 -8.200 2.552 3.919 204 2HG1 VAL 54 HG12 VAL 54 -7.520 0.976 3.516 205 3HG1 VAL 54 HG13 VAL 54 -6.741 2.447 2.934 206 1HG2 VAL 54 HG21 VAL 54 -5.136 0.841 3.803 207 2HG2 VAL 54 HG22 VAL 54 -4.908 0.623 5.538 208 3HG2 VAL 54 HG23 VAL 54 -4.298 2.075 4.743 209 H ASP 55 HN ASP 55 -7.678 5.432 4.690 210 HA ASP 55 HA ASP 55 -9.284 5.341 7.204 211 1HB ASP 55 HB2 ASP 55 -8.125 7.498 6.472 212 2HB ASP 55 HB1 ASP 55 -9.274 7.548 5.134 213 H LEU 56 HN LEU 56 -10.445 3.437 6.266 214 HA LEU 56 HA LEU 56 -12.658 4.376 4.500 215 1HB LEU 56 HB2 LEU 56 -11.214 1.720 4.232 216 2HB LEU 56 HB1 LEU 56 -12.591 2.253 3.266 217 HG LEU 56 HG LEU 56 -10.018 3.834 3.409 218 1HD1 LEU 56 HD11 LEU 56 -10.432 2.381 0.929 219 2HD1 LEU 56 HD12 LEU 56 -10.304 1.271 2.294 220 3HD1 LEU 56 HD13 LEU 56 -9.009 2.423 1.969 221 1HD2 LEU 56 HD21 LEU 56 -12.085 4.973 2.616 222 2HD2 LEU 56 HD22 LEU 56 -12.275 3.730 1.380 223 3HD2 LEU 56 HD23 LEU 56 -10.886 4.816 1.332 224 H ASP 57 HN ASP 57 -14.568 2.840 4.648 225 HA ASP 57 HA ASP 57 -15.233 2.366 7.401 226 1HB ASP 57 HB2 ASP 57 -16.521 2.000 4.773 227 2HB ASP 57 HB1 ASP 57 -17.038 0.844 6.001 228 H ASP 58 HN ASP 58 -15.265 -0.142 4.856 229 HA ASP 58 HA ASP 58 -13.355 -1.848 6.161 230 1HB ASP 58 HB2 ASP 58 -15.177 -2.001 7.842 231 2HB ASP 58 HB1 ASP 58 -16.272 -2.570 6.582 232 H ALA 59 HN ALA 59 -16.428 -2.027 4.326 233 HA ALA 59 HA ALA 59 -15.659 -4.266 2.728 234 1HB ALA 59 HB1 ALA 59 -17.696 -2.076 2.456 235 2HB ALA 59 HB2 ALA 59 -17.946 -3.814 2.625 236 3HB ALA 59 HB3 ALA 59 -17.393 -3.147 1.088 237 H GLU 60 HN GLU 60 -15.091 -0.801 2.380 238 HA GLU 60 HA GLU 60 -14.114 -0.933 -0.333 239 1HB GLU 60 HB2 GLU 60 -14.295 1.072 1.803 240 2HB GLU 60 HB1 GLU 60 -12.847 1.244 0.810 241 1HG GLU 60 HG2 GLU 60 -14.156 1.368 -1.211 242 2HG GLU 60 HG1 GLU 60 -15.632 0.941 -0.343 243 H LEU 61 HN LEU 61 -12.659 -1.433 2.826 244 HA LEU 61 HA LEU 61 -9.915 -1.304 1.924 245 1HB LEU 61 HB2 LEU 61 -10.908 -1.229 4.356 246 2HB LEU 61 HB1 LEU 61 -10.789 -2.986 4.258 247 HG LEU 61 HG LEU 61 -8.403 -1.458 3.363 248 1HD1 LEU 61 HD11 LEU 61 -9.059 -1.780 6.305 249 2HD1 LEU 61 HD12 LEU 61 -9.198 -0.256 5.429 250 3HD1 LEU 61 HD13 LEU 61 -7.622 -1.026 5.614 251 1HD2 LEU 61 HD21 LEU 61 -7.345 -3.419 3.876 252 2HD2 LEU 61 HD22 LEU 61 -8.977 -4.084 3.802 253 3HD2 LEU 61 HD23 LEU 61 -8.272 -3.646 5.359 254 H THR 62 HN THR 62 -12.187 -4.000 2.487 255 HA THR 62 HA THR 62 -10.386 -6.093 1.773 256 HB THR 62 HB THR 62 -12.828 -7.054 0.976 257 HG1 THR 62 HG1 THR 62 -14.130 -5.448 1.440 258 1HG2 THR 62 HG21 THR 62 -12.272 -6.825 3.909 259 2HG2 THR 62 HG22 THR 62 -11.102 -7.663 2.889 260 3HG2 THR 62 HG23 THR 62 -12.769 -8.233 2.971 261 H LYS 63 HN LYS 63 -12.676 -4.201 -0.203 262 HA LYS 63 HA LYS 63 -12.219 -5.576 -2.656 263 1HB LYS 63 HB2 LYS 63 -14.010 -3.808 -2.129 264 2HB LYS 63 HB1 LYS 63 -12.758 -2.609 -2.454 265 1HG LYS 63 HG2 LYS 63 -12.412 -3.562 -4.699 266 2HG LYS 63 HG1 LYS 63 -13.652 -4.775 -4.379 267 1HD LYS 63 HD2 LYS 63 -15.342 -3.020 -4.119 268 2HD LYS 63 HD1 LYS 63 -14.112 -1.778 -4.362 269 1HE LYS 63 HE2 LYS 63 -13.635 -2.887 -6.614 270 2HE LYS 63 HE1 LYS 63 -15.118 -3.808 -6.365 271 1HZ LYS 63 HZ1 LYS 63 -16.302 -2.070 -7.006 272 2HZ LYS 63 HZ2 LYS 63 -14.869 -1.225 -7.352 273 3HZ LYS 63 HZ3 LYS 63 -15.592 -1.085 -5.821 274 H LEU 64 HN LEU 64 -10.696 -2.577 -1.414 275 HA LEU 64 HA LEU 64 -8.900 -2.086 -3.490 276 1HB LEU 64 HB2 LEU 64 -9.248 -1.055 -0.982 277 2HB LEU 64 HB1 LEU 64 -7.699 -1.877 -0.796 278 HG LEU 64 HG LEU 64 -7.361 0.441 -1.555 279 1HD1 LEU 64 HD11 LEU 64 -5.641 -0.201 -2.885 280 2HD1 LEU 64 HD12 LEU 64 -6.721 -0.940 -4.067 281 3HD1 LEU 64 HD13 LEU 64 -6.235 -1.842 -2.631 282 1HD2 LEU 64 HD21 LEU 64 -9.683 0.082 -2.960 283 2HD2 LEU 64 HD22 LEU 64 -8.482 -0.078 -4.242 284 3HD2 LEU 64 HD23 LEU 64 -8.538 1.389 -3.264 285 H ALA 65 HN ALA 65 -8.422 -4.303 -0.726 286 HA ALA 65 HA ALA 65 -5.832 -5.212 -1.447 287 1HB ALA 65 HB1 ALA 65 -8.049 -6.821 -0.140 288 2HB ALA 65 HB2 ALA 65 -6.959 -5.731 0.717 289 3HB ALA 65 HB3 ALA 65 -6.323 -7.176 -0.070 290 H ALA 66 HN ALA 66 -9.048 -6.374 -2.438 291 HA ALA 66 HA ALA 66 -8.093 -8.579 -4.007 292 1HB ALA 66 HB1 ALA 66 -10.295 -8.849 -4.658 293 2HB ALA 66 HB2 ALA 66 -10.567 -7.115 -4.826 294 3HB ALA 66 HB3 ALA 66 -10.542 -7.852 -3.225 295 H GLU 67 HN GLU 67 -8.252 -5.151 -4.582 296 HA GLU 67 HA GLU 67 -8.059 -5.328 -7.479 297 1HB GLU 67 HB2 GLU 67 -8.321 -3.253 -5.501 298 2HB GLU 67 HB1 GLU 67 -6.986 -2.858 -6.584 299 1HG GLU 67 HG2 GLU 67 -8.575 -3.450 -8.509 300 2HG GLU 67 HG1 GLU 67 -9.867 -3.410 -7.308 301 H LEU 68 HN LEU 68 -5.757 -4.955 -4.803 302 HA LEU 68 HA LEU 68 -3.446 -4.554 -6.477 303 1HB LEU 68 HB2 LEU 68 -3.887 -5.355 -3.613 304 2HB LEU 68 HB1 LEU 68 -2.275 -5.489 -4.316 305 HG LEU 68 HG LEU 68 -3.823 -2.945 -4.686 306 1HD1 LEU 68 HD11 LEU 68 -2.233 -2.419 -2.509 307 2HD1 LEU 68 HD12 LEU 68 -2.819 -4.040 -2.139 308 3HD1 LEU 68 HD13 LEU 68 -3.967 -2.733 -2.426 309 1HD2 LEU 68 HD21 LEU 68 -1.576 -1.998 -4.774 310 2HD2 LEU 68 HD22 LEU 68 -1.652 -3.390 -5.855 311 3HD2 LEU 68 HD23 LEU 68 -0.874 -3.538 -4.279 312 H LYS 69 HN LYS 69 -4.911 -7.439 -4.993 313 HA LYS 69 HA LYS 69 -2.951 -9.333 -5.761 314 1HB LYS 69 HB2 LYS 69 -4.988 -9.716 -4.276 315 2HB LYS 69 HB1 LYS 69 -5.935 -9.846 -5.758 316 1HG LYS 69 HG2 LYS 69 -4.848 -11.807 -6.436 317 2HG LYS 69 HG1 LYS 69 -3.443 -11.494 -5.417 318 1HD LYS 69 HD2 LYS 69 -4.998 -11.767 -3.413 319 2HD LYS 69 HD1 LYS 69 -6.196 -12.392 -4.547 320 1HE LYS 69 HE2 LYS 69 -3.853 -13.769 -5.194 321 2HE LYS 69 HE1 LYS 69 -3.854 -13.715 -3.431 322 1HZ LYS 69 HZ1 LYS 69 -5.637 -15.040 -3.309 323 2HZ LYS 69 HZ2 LYS 69 -5.218 -15.498 -4.891 324 3HZ LYS 69 HZ3 LYS 69 -6.413 -14.318 -4.633 325 H LYS 70 HN LYS 70 -5.785 -8.121 -7.552 326 HA LYS 70 HA LYS 70 -5.615 -9.756 -9.831 327 1HB LYS 70 HB2 LYS 70 -6.841 -7.230 -9.134 328 2HB LYS 70 HB1 LYS 70 -6.206 -7.163 -10.778 329 1HG LYS 70 HG2 LYS 70 -7.533 -8.964 -11.501 330 2HG LYS 70 HG1 LYS 70 -7.804 -9.544 -9.857 331 1HD LYS 70 HD2 LYS 70 -9.136 -7.493 -9.384 332 2HD LYS 70 HD1 LYS 70 -8.924 -6.997 -11.063 333 1HE LYS 70 HE2 LYS 70 -9.892 -9.372 -11.609 334 2HE LYS 70 HE1 LYS 70 -10.514 -9.297 -9.960 335 1HZ LYS 70 HZ1 LYS 70 -11.584 -7.198 -10.498 336 2HZ LYS 70 HZ2 LYS 70 -12.115 -8.430 -11.542 337 3HZ LYS 70 HZ3 LYS 70 -10.991 -7.278 -12.085 338 H LYS 71 HN LYS 71 -3.647 -6.971 -8.918 339 HA LYS 71 HA LYS 71 -2.025 -7.417 -11.393 340 1HB LYS 71 HB2 LYS 71 -2.656 -4.928 -9.818 341 2HB LYS 71 HB1 LYS 71 -1.206 -5.010 -10.819 342 1HG LYS 71 HG2 LYS 71 -2.739 -5.778 -12.720 343 2HG LYS 71 HG1 LYS 71 -4.086 -5.275 -11.697 344 1HD LYS 71 HD2 LYS 71 -2.792 -3.030 -11.479 345 2HD LYS 71 HD1 LYS 71 -1.903 -3.581 -12.899 346 1HE LYS 71 HE2 LYS 71 -3.735 -3.415 -14.284 347 2HE LYS 71 HE1 LYS 71 -4.877 -3.779 -12.991 348 1HZ LYS 71 HZ1 LYS 71 -5.144 -1.631 -12.573 349 2HZ LYS 71 HZ2 LYS 71 -4.269 -1.298 -13.991 350 3HZ LYS 71 HZ3 LYS 71 -3.473 -1.355 -12.491 351 H CYS 72 HN CYS 72 -1.392 -9.152 -9.448 352 HA CYS 72 HA CYS 72 1.181 -8.065 -8.423 353 1HB CYS 72 HB2 CYS 72 -1.048 -8.577 -6.775 354 2HB CYS 72 HB1 CYS 72 0.051 -9.933 -6.524 355 HG CYS 72 HG CYS 72 1.799 -8.381 -5.571 356 H GLY 73 HN GLY 73 -0.832 -10.902 -9.120 357 1HA GLY 73 HA2 GLY 73 -0.056 -12.833 -10.317 358 2HA GLY 73 HA1 GLY 73 1.605 -12.330 -9.998 359 H CYS 74 HN CYS 74 0.838 -11.845 -7.104 360 HA CYS 74 HA CYS 74 -0.129 -14.069 -5.758 361 1HB CYS 74 HB2 CYS 74 2.149 -15.239 -5.267 362 2HB CYS 74 HB1 CYS 74 1.323 -15.611 -6.780 363 HG CYS 74 HG CYS 74 3.745 -15.007 -7.459 364 H GLY 75 HN GLY 75 -0.097 -13.542 -3.609 365 1HA GLY 75 HA2 GLY 75 1.178 -12.809 -1.619 366 2HA GLY 75 HA1 GLY 75 2.062 -11.700 -2.669 367 H GLY 76 HN GLY 76 -0.451 -11.889 -0.471 368 1HA GLY 76 HA2 GLY 76 -1.156 -9.148 -0.679 369 2HA GLY 76 HA1 GLY 76 -2.377 -10.081 -1.547 370 H ALA 77 HN ALA 77 -0.742 -9.855 1.607 371 HA ALA 77 HA ALA 77 -2.831 -11.471 2.892 372 1HB ALA 77 HB1 ALA 77 -0.388 -10.002 3.897 373 2HB ALA 77 HB2 ALA 77 -0.664 -11.743 3.836 374 3HB ALA 77 HB3 ALA 77 -1.544 -10.749 4.998 375 H VAL 78 HN VAL 78 -4.309 -10.635 4.469 376 HA VAL 78 HA VAL 78 -4.733 -7.678 4.282 377 HB VAL 78 HB VAL 78 -6.848 -9.815 4.686 378 1HG1 VAL 78 HG11 VAL 78 -6.812 -6.979 5.074 379 2HG1 VAL 78 HG12 VAL 78 -8.175 -8.086 5.241 380 3HG1 VAL 78 HG13 VAL 78 -7.837 -7.333 3.682 381 1HG2 VAL 78 HG21 VAL 78 -5.877 -9.954 2.430 382 2HG2 VAL 78 HG22 VAL 78 -6.100 -8.218 2.214 383 3HG2 VAL 78 HG23 VAL 78 -7.503 -9.277 2.352 384 H LYS 79 HN LYS 79 -5.160 -6.599 6.228 385 HA LYS 79 HA LYS 79 -5.465 -8.207 8.695 386 1HB LYS 79 HB2 LYS 79 -3.065 -6.575 7.975 387 2HB LYS 79 HB1 LYS 79 -3.615 -6.540 9.651 388 1HG LYS 79 HG2 LYS 79 -3.621 -9.069 9.605 389 2HG LYS 79 HG1 LYS 79 -2.831 -8.976 8.031 390 1HD LYS 79 HD2 LYS 79 -0.830 -8.447 8.947 391 2HD LYS 79 HD1 LYS 79 -1.554 -7.284 10.057 392 1HE LYS 79 HE2 LYS 79 -2.204 -9.053 11.582 393 2HE LYS 79 HE1 LYS 79 -1.681 -10.288 10.436 394 1HZ LYS 79 HZ1 LYS 79 0.190 -8.235 11.439 395 2HZ LYS 79 HZ2 LYS 79 0.542 -9.745 10.744 396 3HZ LYS 79 HZ3 LYS 79 -0.100 -9.659 12.314 397 H ASP 80 HN ASP 80 -5.774 -6.627 10.616 398 HA ASP 80 HA ASP 80 -7.932 -4.855 9.994 399 1HB ASP 80 HB2 ASP 80 -6.196 -5.079 12.470 400 2HB ASP 80 HB1 ASP 80 -7.656 -4.093 12.373 401 H GLY 81 HN GLY 81 -7.468 -3.151 8.635 402 1HA GLY 81 HA2 GLY 81 -6.611 -1.066 7.988 403 2HA GLY 81 HA1 GLY 81 -6.101 -0.862 9.664 404 H VAL 82 HN VAL 82 -4.990 -3.615 7.826 405 HA VAL 82 HA VAL 82 -2.416 -2.277 7.224 406 HB VAL 82 HB VAL 82 -2.747 -4.637 9.089 407 1HG1 VAL 82 HG11 VAL 82 -0.944 -5.499 7.989 408 2HG1 VAL 82 HG12 VAL 82 -0.049 -4.270 8.883 409 3HG1 VAL 82 HG13 VAL 82 -0.553 -3.960 7.222 410 1HG2 VAL 82 HG21 VAL 82 -1.658 -3.277 10.672 411 2HG2 VAL 82 HG22 VAL 82 -2.697 -2.132 9.824 412 3HG2 VAL 82 HG23 VAL 82 -0.979 -2.220 9.434 413 H ILE 83 HN ILE 83 -1.864 -2.872 5.189 414 HA ILE 83 HA ILE 83 -2.834 -5.528 4.206 415 HB ILE 83 HB ILE 83 -2.378 -2.953 2.669 416 1HG1 ILE 83 HG12 ILE 83 -4.966 -4.468 2.829 417 2HG1 ILE 83 HG11 ILE 83 -4.503 -3.423 4.173 418 1HG2 ILE 83 HG21 ILE 83 -3.236 -5.712 1.745 419 2HG2 ILE 83 HG22 ILE 83 -1.741 -4.882 1.315 420 3HG2 ILE 83 HG23 ILE 83 -3.289 -4.259 0.746 421 1HD1 ILE 83 HD11 ILE 83 -4.054 -2.090 1.636 422 2HD1 ILE 83 HD12 ILE 83 -5.036 -1.571 3.005 423 3HD1 ILE 83 HD13 ILE 83 -5.729 -2.626 1.773 424 H GLU 84 HN GLU 84 -1.316 -6.862 3.232 425 HA GLU 84 HA GLU 84 1.485 -5.814 3.158 426 1HB GLU 84 HB2 GLU 84 0.310 -8.291 4.217 427 2HB GLU 84 HB1 GLU 84 1.703 -8.567 3.170 428 1HG GLU 84 HG2 GLU 84 3.161 -7.496 4.592 429 2HG GLU 84 HG1 GLU 84 1.931 -6.378 5.180 430 H ILE 85 HN ILE 85 2.493 -5.867 1.194 431 HA ILE 85 HA ILE 85 1.270 -7.564 -0.943 432 HB ILE 85 HB ILE 85 2.331 -4.736 -1.231 433 1HG1 ILE 85 HG12 ILE 85 0.099 -4.884 -0.161 434 2HG1 ILE 85 HG11 ILE 85 -0.010 -4.190 -1.779 435 1HG2 ILE 85 HG21 ILE 85 1.571 -6.880 -3.168 436 2HG2 ILE 85 HG22 ILE 85 2.809 -5.632 -3.305 437 3HG2 ILE 85 HG23 ILE 85 1.113 -5.223 -3.560 438 1HD1 ILE 85 HD11 ILE 85 -1.306 -6.535 -0.765 439 2HD1 ILE 85 HD12 ILE 85 -0.201 -7.018 -2.052 440 3HD1 ILE 85 HD13 ILE 85 -1.449 -5.813 -2.368 441 H GLN 86 HN GLN 86 2.744 -8.704 -2.168 442 HA GLN 86 HA GLN 86 5.591 -8.467 -1.358 443 1HB GLN 86 HB2 GLN 86 4.265 -10.693 -1.445 444 2HB GLN 86 HB1 GLN 86 4.449 -10.570 -3.195 445 1HG GLN 86 HG2 GLN 86 6.298 -11.881 -2.392 446 2HG GLN 86 HG1 GLN 86 6.940 -10.292 -2.810 447 1HE2 GLN 86 HE21 GLN 86 5.668 -12.115 0.029 448 2HE2 GLN 86 HE22 GLN 86 6.653 -11.325 1.163 449 H GLY 87 HN GLY 87 6.687 -6.998 -2.586 450 1HA GLY 87 HA2 GLY 87 7.366 -7.353 -5.255 451 2HA GLY 87 HA1 GLY 87 5.912 -6.356 -5.311 452 H ASP 88 HN ASP 88 8.284 -5.290 -6.250 453 HA ASP 88 HA ASP 88 8.904 -3.273 -4.133 454 1HB ASP 88 HB2 ASP 88 10.779 -4.727 -5.998 455 2HB ASP 88 HB1 ASP 88 11.208 -3.159 -5.313 456 H LYS 89 HN LYS 89 6.940 -2.458 -5.591 457 HA LYS 89 HA LYS 89 8.153 -0.790 -7.757 458 1HB LYS 89 HB2 LYS 89 5.431 -2.127 -7.713 459 2HB LYS 89 HB1 LYS 89 5.925 -0.929 -8.910 460 1HG LYS 89 HG2 LYS 89 7.980 -2.495 -9.276 461 2HG LYS 89 HG1 LYS 89 6.981 -3.716 -8.487 462 1HD LYS 89 HD2 LYS 89 5.272 -3.527 -10.155 463 2HD LYS 89 HD1 LYS 89 6.006 -2.073 -10.834 464 1HE LYS 89 HE2 LYS 89 8.000 -3.403 -11.480 465 2HE LYS 89 HE1 LYS 89 7.218 -4.854 -10.854 466 1HZ LYS 89 HZ1 LYS 89 5.543 -4.722 -12.473 467 2HZ LYS 89 HZ2 LYS 89 6.992 -4.435 -13.312 468 3HZ LYS 89 HZ3 LYS 89 5.965 -3.141 -12.917 469 H ARG 90 HN ARG 90 8.128 0.256 -5.264 470 HA ARG 90 HA ARG 90 5.803 1.493 -4.290 471 1HB ARG 90 HB2 ARG 90 7.271 3.132 -3.246 472 2HB ARG 90 HB1 ARG 90 8.051 1.551 -3.183 473 1HG ARG 90 HG2 ARG 90 9.354 2.122 -5.210 474 2HG ARG 90 HG1 ARG 90 8.596 3.715 -5.238 475 1HD ARG 90 HD2 ARG 90 9.499 3.592 -2.654 476 2HD ARG 90 HD1 ARG 90 10.753 2.691 -3.506 477 HE ARG 90 HE ARG 90 10.040 5.237 -4.770 478 1HH1 ARG 90 HH11 ARG 90 12.643 3.404 -4.188 479 2HH1 ARG 90 HH12 ARG 90 13.636 4.627 -3.468 480 1HH2 ARG 90 HH21 ARG 90 11.042 6.898 -3.109 481 2HH2 ARG 90 HH22 ARG 90 12.730 6.605 -2.857 482 H ASP 91 HN ASP 91 7.899 2.465 -6.972 483 HA ASP 91 HA ASP 91 6.802 5.053 -7.417 484 1HB ASP 91 HB2 ASP 91 8.273 3.049 -9.071 485 2HB ASP 91 HB1 ASP 91 7.444 4.354 -9.921 486 H LEU 92 HN LEU 92 5.812 1.861 -8.657 487 HA LEU 92 HA LEU 92 3.669 2.870 -10.291 488 1HB LEU 92 HB2 LEU 92 4.560 0.626 -10.651 489 2HB LEU 92 HB1 LEU 92 4.079 0.145 -9.024 490 HG LEU 92 HG LEU 92 1.752 1.205 -10.178 491 1HD1 LEU 92 HD11 LEU 92 2.621 -0.897 -12.087 492 2HD1 LEU 92 HD12 LEU 92 3.349 0.694 -12.308 493 3HD1 LEU 92 HD13 LEU 92 1.595 0.513 -12.354 494 1HD2 LEU 92 HD21 LEU 92 1.919 -1.683 -10.404 495 2HD2 LEU 92 HD22 LEU 92 0.982 -0.712 -9.269 496 3HD2 LEU 92 HD23 LEU 92 2.653 -1.135 -8.898 497 H LEU 93 HN LEU 93 3.892 1.889 -6.903 498 HA LEU 93 HA LEU 93 1.094 1.823 -6.338 499 1HB LEU 93 HB2 LEU 93 3.599 2.079 -4.757 500 2HB LEU 93 HB1 LEU 93 2.122 2.645 -3.976 501 HG LEU 93 HG LEU 93 1.745 0.095 -5.356 502 1HD1 LEU 93 HD11 LEU 93 3.115 -1.282 -3.959 503 2HD1 LEU 93 HD12 LEU 93 3.570 0.085 -2.942 504 3HD1 LEU 93 HD13 LEU 93 4.180 -0.027 -4.593 505 1HD2 LEU 93 HD21 LEU 93 1.408 0.072 -2.483 506 2HD2 LEU 93 HD22 LEU 93 0.176 -0.022 -3.741 507 3HD2 LEU 93 HD23 LEU 93 0.723 1.550 -3.158 508 H LYS 94 HN LYS 94 3.448 4.486 -6.317 509 HA LYS 94 HA LYS 94 1.689 6.468 -5.236 510 1HB LYS 94 HB2 LYS 94 4.243 6.597 -5.605 511 2HB LYS 94 HB1 LYS 94 3.850 7.054 -7.263 512 1HG LYS 94 HG2 LYS 94 2.400 8.889 -6.347 513 2HG LYS 94 HG1 LYS 94 2.992 8.487 -4.734 514 1HD LYS 94 HD2 LYS 94 5.267 9.012 -5.366 515 2HD LYS 94 HD1 LYS 94 4.798 9.220 -7.054 516 1HE LYS 94 HE2 LYS 94 3.357 11.123 -6.419 517 2HE LYS 94 HE1 LYS 94 3.838 10.922 -4.734 518 1HZ LYS 94 HZ1 LYS 94 5.102 12.641 -6.007 519 2HZ LYS 94 HZ2 LYS 94 5.774 11.383 -6.930 520 3HZ LYS 94 HZ3 LYS 94 6.063 11.460 -5.258 521 H SER 95 HN SER 95 2.021 5.093 -8.434 522 HA SER 95 HA SER 95 0.542 7.201 -9.789 523 1HB SER 95 HB2 SER 95 2.144 5.619 -10.927 524 2HB SER 95 HB1 SER 95 0.963 4.335 -10.685 525 HG SER 95 HG SER 95 0.890 5.521 -12.750 526 H LEU 96 HN LEU 96 -0.312 3.785 -9.093 527 HA LEU 96 HA LEU 96 -3.045 3.963 -9.718 528 1HB LEU 96 HB2 LEU 96 -3.340 2.081 -8.073 529 2HB LEU 96 HB1 LEU 96 -2.030 1.816 -9.225 530 HG LEU 96 HG LEU 96 -0.537 2.945 -7.398 531 1HD1 LEU 96 HD11 LEU 96 -1.553 3.471 -5.461 532 2HD1 LEU 96 HD12 LEU 96 -2.043 1.790 -5.257 533 3HD1 LEU 96 HD13 LEU 96 -3.091 2.915 -6.120 534 1HD2 LEU 96 HD21 LEU 96 -0.493 0.632 -6.176 535 2HD2 LEU 96 HD22 LEU 96 -0.081 0.693 -7.889 536 3HD2 LEU 96 HD23 LEU 96 -1.685 0.160 -7.386 537 H LEU 97 HN LEU 97 -1.344 4.988 -6.802 538 HA LEU 97 HA LEU 97 -3.707 5.452 -5.215 539 1HB LEU 97 HB2 LEU 97 -0.946 5.578 -4.800 540 2HB LEU 97 HB1 LEU 97 -1.491 7.245 -4.608 541 HG LEU 97 HG LEU 97 -1.640 6.136 -2.453 542 1HD1 LEU 97 HD11 LEU 97 -3.827 7.317 -3.814 543 2HD1 LEU 97 HD12 LEU 97 -3.571 7.227 -2.071 544 3HD1 LEU 97 HD13 LEU 97 -4.483 5.961 -2.895 545 1HD2 LEU 97 HD21 LEU 97 -3.389 4.108 -3.885 546 2HD2 LEU 97 HD22 LEU 97 -3.034 4.124 -2.157 547 3HD2 LEU 97 HD23 LEU 97 -1.744 3.815 -3.320 548 H GLU 98 HN GLU 98 -1.583 7.719 -7.006 549 HA GLU 98 HA GLU 98 -3.291 9.989 -6.621 550 1HB GLU 98 HB2 GLU 98 -1.049 9.310 -8.498 551 2HB GLU 98 HB1 GLU 98 -2.021 10.750 -8.807 552 1HG GLU 98 HG2 GLU 98 -1.604 11.356 -6.343 553 2HG GLU 98 HG1 GLU 98 -0.351 10.114 -6.371 554 H ALA 99 HN ALA 99 -3.658 7.212 -8.550 555 HA ALA 99 HA ALA 99 -5.047 8.320 -10.803 556 1HB ALA 99 HB1 ALA 99 -5.947 5.673 -9.842 557 2HB ALA 99 HB2 ALA 99 -4.210 5.813 -10.111 558 3HB ALA 99 HB3 ALA 99 -5.335 6.147 -11.427 559 H LYS 100 HN LYS 100 -6.022 7.587 -7.519 560 HA LYS 100 HA LYS 100 -8.873 8.059 -8.199 561 1HB LYS 100 HB2 LYS 100 -7.643 7.399 -5.508 562 2HB LYS 100 HB1 LYS 100 -9.352 7.326 -5.938 563 1HG LYS 100 HG2 LYS 100 -8.844 5.574 -7.615 564 2HG LYS 100 HG1 LYS 100 -7.146 5.625 -7.139 565 1HD LYS 100 HD2 LYS 100 -7.582 4.716 -5.016 566 2HD LYS 100 HD1 LYS 100 -9.292 5.146 -5.081 567 1HE LYS 100 HE2 LYS 100 -8.110 3.193 -7.050 568 2HE LYS 100 HE1 LYS 100 -8.658 2.661 -5.461 569 1HZ LYS 100 HZ1 LYS 100 -10.580 4.357 -6.668 570 2HZ LYS 100 HZ2 LYS 100 -10.753 2.756 -6.127 571 3HZ LYS 100 HZ3 LYS 100 -10.208 3.068 -7.705 572 H GLY 101 HN GLY 101 -6.126 9.627 -6.736 573 1HA GLY 101 HA2 GLY 101 -6.079 12.065 -6.573 574 2HA GLY 101 HA1 GLY 101 -7.824 12.041 -6.313 575 H MET 102 HN MET 102 -6.170 9.586 -4.619 576 HA MET 102 HA MET 102 -6.861 10.799 -2.062 577 1HB MET 102 HB2 MET 102 -5.596 8.220 -2.941 578 2HB MET 102 HB1 MET 102 -5.484 8.707 -1.249 579 1HG MET 102 HG2 MET 102 -8.151 9.182 -1.907 580 2HG MET 102 HG1 MET 102 -7.776 7.664 -2.721 581 1HE MET 102 HE1 MET 102 -8.419 5.359 -1.123 582 2HE MET 102 HE2 MET 102 -6.867 5.172 -0.311 583 3HE MET 102 HE3 MET 102 -6.923 5.811 -1.952 584 H LYS 103 HN LYS 103 -5.384 11.526 -0.462 585 HA LYS 103 HA LYS 103 -2.910 12.664 -1.535 586 1HB LYS 103 HB2 LYS 103 -4.597 13.034 0.821 587 2HB LYS 103 HB1 LYS 103 -2.880 13.034 1.227 588 1HG LYS 103 HG2 LYS 103 -2.971 15.222 0.603 589 2HG LYS 103 HG1 LYS 103 -2.879 14.568 -1.033 590 1HD LYS 103 HD2 LYS 103 -5.524 14.345 -0.671 591 2HD LYS 103 HD1 LYS 103 -5.223 15.690 0.430 592 1HE LYS 103 HE2 LYS 103 -3.919 16.773 -1.491 593 2HE LYS 103 HE1 LYS 103 -4.640 15.546 -2.533 594 1HZ LYS 103 HZ1 LYS 103 -6.293 17.027 -2.701 595 2HZ LYS 103 HZ2 LYS 103 -5.850 17.858 -1.287 596 3HZ LYS 103 HZ3 LYS 103 -6.774 16.436 -1.186 597 H VAL 104 HN VAL 104 -1.693 10.731 -2.013 598 HA VAL 104 HA VAL 104 -1.054 8.897 0.198 599 HB VAL 104 HB VAL 104 -1.331 8.104 -2.168 600 1HG1 VAL 104 HG11 VAL 104 1.397 9.223 -2.735 601 2HG1 VAL 104 HG12 VAL 104 -0.021 10.244 -2.973 602 3HG1 VAL 104 HG13 VAL 104 0.137 8.732 -3.867 603 1HG2 VAL 104 HG21 VAL 104 -0.106 6.414 -1.305 604 2HG2 VAL 104 HG22 VAL 104 0.839 7.531 -0.319 605 3HG2 VAL 104 HG23 VAL 104 1.321 7.199 -1.983 606 H LYS 105 HN LYS 105 0.776 9.026 1.439 607 HA LYS 105 HA LYS 105 2.661 11.251 0.828 608 1HB LYS 105 HB2 LYS 105 1.472 10.248 3.243 609 2HB LYS 105 HB1 LYS 105 3.224 10.084 3.361 610 1HG LYS 105 HG2 LYS 105 3.354 12.500 2.514 611 2HG LYS 105 HG1 LYS 105 1.623 12.593 2.838 612 1HD LYS 105 HD2 LYS 105 2.164 11.752 5.194 613 2HD LYS 105 HD1 LYS 105 3.855 12.080 4.812 614 1HE LYS 105 HE2 LYS 105 3.531 14.378 4.712 615 2HE LYS 105 HE1 LYS 105 1.823 14.223 4.299 616 1HZ LYS 105 HZ1 LYS 105 3.083 13.751 6.942 617 2HZ LYS 105 HZ2 LYS 105 1.476 13.337 6.580 618 3HZ LYS 105 HZ3 LYS 105 1.967 14.962 6.535 619 H LEU 106 HN LEU 106 3.865 10.047 -0.778 620 HA LEU 106 HA LEU 106 4.958 7.476 -0.489 621 1HB LEU 106 HB2 LEU 106 5.097 9.094 -2.499 622 2HB LEU 106 HB1 LEU 106 6.524 9.757 -1.700 623 HG LEU 106 HG LEU 106 7.180 7.179 -1.528 624 1HD1 LEU 106 HD11 LEU 106 6.454 6.312 -3.941 625 2HD1 LEU 106 HD12 LEU 106 5.066 7.357 -3.638 626 3HD1 LEU 106 HD13 LEU 106 5.435 6.035 -2.529 627 1HD2 LEU 106 HD21 LEU 106 7.426 8.746 -4.116 628 2HD2 LEU 106 HD22 LEU 106 8.513 7.480 -3.547 629 3HD2 LEU 106 HD23 LEU 106 8.427 9.019 -2.690 630 H ALA 107 HN ALA 107 5.710 7.028 1.604 631 HA ALA 107 HA ALA 107 7.808 8.793 2.740 632 1HB ALA 107 HB1 ALA 107 5.817 7.786 4.074 633 2HB ALA 107 HB2 ALA 107 7.421 7.719 4.803 634 3HB ALA 107 HB3 ALA 107 6.743 6.285 4.032 635 H GLY 108 HN GLY 108 9.929 8.059 3.101 636 1HA GLY 108 HA2 GLY 108 10.616 5.295 2.285 637 2HA GLY 108 HA1 GLY 108 11.372 6.609 1.382 638 H GLY 109 HN GLY 109 12.691 8.161 2.640 639 1HA GLY 109 HA2 GLY 109 14.218 6.745 4.724 640 2HA GLY 109 HA1 GLY 109 14.659 8.285 3.984 641 H LEU 110 HN LEU 110 15.045 9.085 6.184 642 HA LEU 110 HA LEU 110 12.785 10.519 7.240 643 1HB LEU 110 HB2 LEU 110 13.061 7.856 8.181 644 2HB LEU 110 HB1 LEU 110 13.593 8.913 9.489 645 HG LEU 110 HG LEU 110 11.187 9.904 8.149 646 1HD1 LEU 110 HD11 LEU 110 11.328 7.085 9.082 647 2HD1 LEU 110 HD12 LEU 110 10.256 7.824 7.892 648 3HD1 LEU 110 HD13 LEU 110 9.926 8.014 9.614 649 1HD2 LEU 110 HD21 LEU 110 11.119 9.124 10.993 650 2HD2 LEU 110 HD22 LEU 110 10.785 10.688 10.248 651 3HD2 LEU 110 HD23 LEU 110 12.450 10.203 10.572 652 H GLU 111 HN GLU 111 13.450 11.674 9.333 653 HA GLU 111 HA GLU 111 16.378 11.795 9.749 654 1HB GLU 111 HB2 GLU 111 15.901 13.421 7.929 655 2HB GLU 111 HB1 GLU 111 14.744 14.234 8.983 656 1HG GLU 111 HG2 GLU 111 16.541 14.691 10.611 657 2HG GLU 111 HG1 GLU 111 17.701 13.882 9.557 Start of MODEL 16 1 HA LYS 29 HA LYS 29 -12.507 16.275 8.047 2 1HB LYS 29 HB2 LYS 29 -15.198 16.539 7.175 3 2HB LYS 29 HB1 LYS 29 -15.051 14.943 7.911 4 1HG LYS 29 HG2 LYS 29 -15.246 15.993 9.902 5 2HG LYS 29 HG1 LYS 29 -13.605 16.580 9.629 6 1HD LYS 29 HD2 LYS 29 -14.386 18.631 8.696 7 2HD LYS 29 HD1 LYS 29 -16.032 18.017 8.542 8 1HE LYS 29 HE2 LYS 29 -14.654 18.280 11.220 9 2HE LYS 29 HE1 LYS 29 -15.602 19.589 10.515 10 1HZ LYS 29 HZ1 LYS 29 -17.340 17.669 10.230 11 2HZ LYS 29 HZ2 LYS 29 -17.203 18.515 11.697 12 3HZ LYS 29 HZ3 LYS 29 -16.484 16.986 11.524 13 H GLY 30 HN GLY 30 -11.071 14.812 6.313 14 1HA GLY 30 HA2 GLY 30 -11.232 12.152 7.335 15 2HA GLY 30 HA1 GLY 30 -11.947 12.179 5.722 16 H ASP 31 HN ASP 31 -8.978 13.010 7.501 17 HA ASP 31 HA ASP 31 -7.473 13.071 4.949 18 1HB ASP 31 HB2 ASP 31 -6.629 13.625 7.810 19 2HB ASP 31 HB1 ASP 31 -5.562 13.753 6.411 20 H GLY 32 HN GLY 32 -6.766 11.132 4.204 21 1HA GLY 32 HA2 GLY 32 -6.070 9.027 6.207 22 2HA GLY 32 HA1 GLY 32 -6.556 8.698 4.543 23 H VAL 33 HN VAL 33 -4.205 7.584 5.468 24 HA VAL 33 HA VAL 33 -2.242 8.919 3.710 25 HB VAL 33 HB VAL 33 -1.716 9.957 5.830 26 1HG1 VAL 33 HG11 VAL 33 -2.668 7.495 6.877 27 2HG1 VAL 33 HG12 VAL 33 -2.161 8.924 7.779 28 3HG1 VAL 33 HG13 VAL 33 -0.992 7.659 7.402 29 1HG2 VAL 33 HG21 VAL 33 0.049 8.120 4.488 30 2HG2 VAL 33 HG22 VAL 33 0.430 8.134 6.210 31 3HG2 VAL 33 HG23 VAL 33 0.449 9.639 5.291 32 H VAL 34 HN VAL 34 -2.317 7.070 2.381 33 HA VAL 34 HA VAL 34 -1.890 4.411 3.563 34 HB VAL 34 HB VAL 34 -2.132 5.353 0.691 35 1HG1 VAL 34 HG11 VAL 34 -0.868 3.392 0.486 36 2HG1 VAL 34 HG12 VAL 34 -2.518 2.775 0.408 37 3HG1 VAL 34 HG13 VAL 34 -1.602 2.654 1.910 38 1HG2 VAL 34 HG21 VAL 34 -4.125 3.494 1.719 39 2HG2 VAL 34 HG22 VAL 34 -4.358 5.069 0.960 40 3HG2 VAL 34 HG23 VAL 34 -4.053 4.962 2.694 41 H ARG 35 HN ARG 35 0.177 4.051 4.265 42 HA ARG 35 HA ARG 35 2.468 5.237 2.862 43 1HB ARG 35 HB2 ARG 35 2.509 3.192 5.097 44 2HB ARG 35 HB1 ARG 35 3.805 4.293 4.627 45 1HG ARG 35 HG2 ARG 35 2.287 6.215 5.206 46 2HG ARG 35 HG1 ARG 35 1.133 5.043 5.844 47 1HD ARG 35 HD2 ARG 35 2.701 4.289 7.509 48 2HD ARG 35 HD1 ARG 35 4.007 5.224 6.780 49 HE ARG 35 HE ARG 35 1.874 6.994 7.496 50 1HH1 ARG 35 HH21 ARG 35 4.813 7.352 8.137 51 2HH1 ARG 35 HH22 ARG 35 4.802 7.267 9.867 52 1HH2 ARG 35 HH11 ARG 35 1.637 5.861 10.042 53 2HH2 ARG 35 HH12 ARG 35 3.004 6.422 10.945 54 H ILE 36 HN ILE 36 3.379 4.267 1.122 55 HA ILE 36 HA ILE 36 3.128 1.292 0.895 56 HB ILE 36 HB ILE 36 3.256 3.337 -1.344 57 1HG1 ILE 36 HG12 ILE 36 0.899 1.593 -1.085 58 2HG1 ILE 36 HG11 ILE 36 1.093 2.721 0.257 59 1HG2 ILE 36 HG21 ILE 36 2.321 0.721 -2.094 60 2HG2 ILE 36 HG22 ILE 36 3.880 0.567 -1.284 61 3HG2 ILE 36 HG23 ILE 36 3.722 1.604 -2.702 62 1HD1 ILE 36 HD11 ILE 36 -0.192 3.463 -1.934 63 2HD1 ILE 36 HD12 ILE 36 1.441 3.740 -2.540 64 3HD1 ILE 36 HD13 ILE 36 0.877 4.592 -1.102 65 H GLN 37 HN GLN 37 5.090 0.369 1.215 66 HA GLN 37 HA GLN 37 7.457 1.583 -0.104 67 1HB GLN 37 HB2 GLN 37 8.810 1.334 1.943 68 2HB GLN 37 HB1 GLN 37 7.464 2.441 2.217 69 1HG GLN 37 HG2 GLN 37 6.182 0.712 3.324 70 2HG GLN 37 HG1 GLN 37 7.385 -0.509 2.904 71 1HE2 GLN 37 HE21 GLN 37 6.406 0.793 5.602 72 2HE2 GLN 37 HE22 GLN 37 7.864 1.145 6.396 73 H ARG 38 HN ARG 38 9.123 0.026 -0.535 74 HA ARG 38 HA ARG 38 8.116 -2.765 -0.525 75 1HB ARG 38 HB2 ARG 38 10.127 -3.141 -2.035 76 2HB ARG 38 HB1 ARG 38 8.910 -2.034 -2.671 77 1HG ARG 38 HG2 ARG 38 10.250 -0.175 -2.393 78 2HG ARG 38 HG1 ARG 38 11.115 -0.874 -1.023 79 1HD ARG 38 HD2 ARG 38 12.288 -2.419 -2.547 80 2HD ARG 38 HD1 ARG 38 11.425 -1.724 -3.919 81 HE ARG 38 HE ARG 38 12.666 0.447 -2.676 82 1HH1 ARG 38 HH11 ARG 38 14.843 -1.426 -1.945 83 2HH1 ARG 38 HH12 ARG 38 15.859 -1.397 -3.347 84 1HH2 ARG 38 HH21 ARG 38 13.435 -0.005 -5.400 85 2HH2 ARG 38 HH22 ARG 38 15.062 -0.592 -5.303 86 H GLN 39 HN GLN 39 8.822 -4.142 1.027 87 HA GLN 39 HA GLN 39 11.035 -3.352 2.785 88 1HB GLN 39 HB2 GLN 39 9.026 -4.437 3.722 89 2HB GLN 39 HB1 GLN 39 9.342 -5.870 2.743 90 1HG GLN 39 HG2 GLN 39 10.469 -6.585 4.590 91 2HG GLN 39 HG1 GLN 39 11.756 -5.552 3.969 92 1HE2 GLN 39 HE21 GLN 39 12.247 -5.482 6.447 93 2HE2 GLN 39 HE22 GLN 39 11.471 -4.264 7.340 94 H THR 40 HN THR 40 10.409 -5.788 0.287 95 HA THR 40 HA THR 40 11.879 -7.246 -0.820 96 HB THR 40 HB THR 40 14.343 -5.827 -0.194 97 HG1 THR 40 HG1 THR 40 13.629 -3.873 -0.241 98 1HG2 THR 40 HG21 THR 40 13.092 -7.111 -2.353 99 2HG2 THR 40 HG22 THR 40 14.674 -6.333 -2.361 100 3HG2 THR 40 HG23 THR 40 13.242 -5.425 -2.846 101 H SER 41 HN SER 41 11.289 -8.263 1.582 102 HA SER 41 HA SER 41 13.919 -8.996 2.805 103 1HB SER 41 HB2 SER 41 12.284 -7.884 4.334 104 2HB SER 41 HB1 SER 41 11.150 -9.196 4.028 105 HG SER 41 HG SER 41 12.434 -9.507 5.926 106 H GLY 42 HN GLY 42 14.585 -10.993 2.199 107 1HA GLY 42 HA2 GLY 42 14.040 -13.439 2.426 108 2HA GLY 42 HA1 GLY 42 12.486 -13.063 1.679 109 H ARG 43 HN ARG 43 13.728 -14.966 0.358 110 HA ARG 43 HA ARG 43 14.694 -13.605 -2.096 111 1HB ARG 43 HB2 ARG 43 16.470 -14.845 -0.340 112 2HB ARG 43 HB1 ARG 43 16.180 -16.065 -1.580 113 1HG ARG 43 HG2 ARG 43 17.145 -14.808 -3.240 114 2HG ARG 43 HG1 ARG 43 16.623 -13.280 -2.530 115 1HD ARG 43 HD2 ARG 43 19.171 -13.955 -2.463 116 2HD ARG 43 HD1 ARG 43 18.427 -13.191 -1.059 117 HE ARG 43 HE ARG 43 18.187 -16.063 -0.904 118 1HH1 ARG 43 HH21 ARG 43 20.618 -13.642 -0.941 119 2HH1 ARG 43 HH22 ARG 43 21.520 -14.329 0.368 120 1HH2 ARG 43 HH11 ARG 43 19.235 -16.868 0.961 121 2HH2 ARG 43 HH12 ARG 43 20.737 -16.155 1.444 122 H LYS 44 HN LYS 44 12.169 -14.835 -1.492 123 HA LYS 44 HA LYS 44 12.313 -17.309 -3.167 124 1HB LYS 44 HB2 LYS 44 10.915 -16.692 -0.713 125 2HB LYS 44 HB1 LYS 44 9.759 -17.113 -1.977 126 1HG LYS 44 HG2 LYS 44 11.875 -18.946 -2.264 127 2HG LYS 44 HG1 LYS 44 11.577 -18.840 -0.529 128 1HD LYS 44 HD2 LYS 44 9.086 -19.090 -1.105 129 2HD LYS 44 HD1 LYS 44 9.625 -19.579 -2.712 130 1HE LYS 44 HE2 LYS 44 11.237 -21.112 -1.114 131 2HE LYS 44 HE1 LYS 44 9.757 -21.049 -0.158 132 1HZ LYS 44 HZ1 LYS 44 8.611 -22.213 -1.686 133 2HZ LYS 44 HZ2 LYS 44 10.150 -22.780 -2.130 134 3HZ LYS 44 HZ3 LYS 44 9.421 -21.518 -3.004 135 H GLY 45 HN GLY 45 12.122 -14.365 -3.958 136 1HA GLY 45 HA2 GLY 45 10.266 -14.719 -6.128 137 2HA GLY 45 HA1 GLY 45 9.561 -13.678 -4.891 138 H LYS 46 HN LYS 46 10.706 -11.684 -4.355 139 HA LYS 46 HA LYS 46 13.055 -10.790 -5.698 140 1HB LYS 46 HB2 LYS 46 10.696 -10.787 -7.329 141 2HB LYS 46 HB1 LYS 46 11.153 -9.115 -6.999 142 1HG LYS 46 HG2 LYS 46 13.444 -9.571 -7.757 143 2HG LYS 46 HG1 LYS 46 13.023 -11.258 -8.050 144 1HD LYS 46 HD2 LYS 46 11.356 -10.566 -9.723 145 2HD LYS 46 HD1 LYS 46 11.747 -8.873 -9.421 146 1HE LYS 46 HE2 LYS 46 13.986 -9.159 -10.255 147 2HE LYS 46 HE1 LYS 46 13.795 -10.910 -10.327 148 1HZ LYS 46 HZ1 LYS 46 13.023 -10.686 -12.373 149 2HZ LYS 46 HZ2 LYS 46 13.136 -8.993 -12.275 150 3HZ LYS 46 HZ3 LYS 46 11.713 -9.782 -11.787 151 H GLY 47 HN GLY 47 9.839 -9.367 -4.978 152 1HA GLY 47 HA2 GLY 47 11.037 -7.863 -2.740 153 2HA GLY 47 HA1 GLY 47 10.413 -6.891 -4.073 154 H VAL 48 HN VAL 48 9.199 -6.451 -1.717 155 HA VAL 48 HA VAL 48 6.522 -7.663 -2.145 156 HB VAL 48 HB VAL 48 6.296 -7.918 0.364 157 1HG1 VAL 48 HG11 VAL 48 7.080 -10.102 0.289 158 2HG1 VAL 48 HG12 VAL 48 8.565 -9.650 -0.549 159 3HG1 VAL 48 HG13 VAL 48 7.039 -9.719 -1.432 160 1HG2 VAL 48 HG21 VAL 48 8.187 -7.787 1.762 161 2HG2 VAL 48 HG22 VAL 48 8.395 -6.404 0.688 162 3HG2 VAL 48 HG23 VAL 48 9.310 -7.885 0.406 163 H CYS 49 HN CYS 49 4.799 -6.346 -1.194 164 HA CYS 49 HA CYS 49 5.683 -3.534 -0.673 165 1HB CYS 49 HB2 CYS 49 3.718 -4.647 -2.526 166 2HB CYS 49 HB1 CYS 49 3.018 -3.415 -1.476 167 HG CYS 49 HG CYS 49 5.595 -2.321 -2.472 168 H LEU 50 HN LEU 50 5.450 -3.175 1.487 169 HA LEU 50 HA LEU 50 3.267 -4.539 2.956 170 1HB LEU 50 HB2 LEU 50 5.517 -2.767 3.962 171 2HB LEU 50 HB1 LEU 50 4.390 -3.672 4.973 172 HG LEU 50 HG LEU 50 6.390 -4.831 3.012 173 1HD1 LEU 50 HD11 LEU 50 7.564 -4.320 4.983 174 2HD1 LEU 50 HD12 LEU 50 7.067 -5.991 5.250 175 3HD1 LEU 50 HD13 LEU 50 6.176 -4.674 6.013 176 1HD2 LEU 50 HD21 LEU 50 4.690 -6.385 2.828 177 2HD2 LEU 50 HD22 LEU 50 3.998 -5.968 4.395 178 3HD2 LEU 50 HD23 LEU 50 5.442 -6.977 4.309 179 H ILE 51 HN ILE 51 1.375 -3.498 3.313 180 HA ILE 51 HA ILE 51 1.337 -0.525 3.021 181 HB ILE 51 HB ILE 51 -1.138 -2.228 2.972 182 1HG1 ILE 51 HG12 ILE 51 0.386 -3.352 1.421 183 2HG1 ILE 51 HG11 ILE 51 -0.830 -2.461 0.505 184 1HG2 ILE 51 HG21 ILE 51 -1.674 -0.405 1.224 185 2HG2 ILE 51 HG22 ILE 51 -0.229 0.411 1.820 186 3HG2 ILE 51 HG23 ILE 51 -1.578 0.099 2.911 187 1HD1 ILE 51 HD11 ILE 51 0.807 -1.326 -0.537 188 2HD1 ILE 51 HD12 ILE 51 2.022 -2.172 0.421 189 3HD1 ILE 51 HD13 ILE 51 1.320 -0.668 1.016 190 H THR 52 HN THR 52 1.412 0.408 5.016 191 HA THR 52 HA THR 52 -0.629 -0.307 6.994 192 HB THR 52 HB THR 52 0.916 -1.916 7.762 193 HG1 THR 52 HG1 THR 52 1.538 -1.088 9.698 194 1HG2 THR 52 HG21 THR 52 2.762 -1.247 6.266 195 2HG2 THR 52 HG22 THR 52 3.337 -1.497 7.915 196 3HG2 THR 52 HG23 THR 52 3.096 0.139 7.304 197 H GLY 53 HN GLY 53 -0.836 1.345 8.625 198 1HA GLY 53 HA2 GLY 53 -0.126 3.422 9.675 199 2HA GLY 53 HA1 GLY 53 0.916 3.728 8.284 200 H VAL 54 HN VAL 54 -2.563 2.934 8.592 201 HA VAL 54 HA VAL 54 -3.108 5.341 6.899 202 HB VAL 54 HB VAL 54 -4.888 2.907 7.130 203 1HG1 VAL 54 HG11 VAL 54 -6.182 4.524 6.124 204 2HG1 VAL 54 HG12 VAL 54 -5.333 3.940 4.693 205 3HG1 VAL 54 HG13 VAL 54 -4.786 5.406 5.506 206 1HG2 VAL 54 HG21 VAL 54 -3.132 1.835 6.113 207 2HG2 VAL 54 HG22 VAL 54 -2.397 3.342 5.566 208 3HG2 VAL 54 HG23 VAL 54 -3.758 2.654 4.682 209 H ASP 55 HN ASP 55 -3.622 6.855 8.474 210 HA ASP 55 HA ASP 55 -5.249 6.159 10.793 211 1HB ASP 55 HB2 ASP 55 -3.472 8.135 10.359 212 2HB ASP 55 HB1 ASP 55 -4.954 9.002 9.954 213 H LEU 56 HN LEU 56 -7.322 5.533 10.251 214 HA LEU 56 HA LEU 56 -9.056 7.603 9.058 215 1HB LEU 56 HB2 LEU 56 -8.065 5.456 7.497 216 2HB LEU 56 HB1 LEU 56 -9.750 5.077 7.854 217 HG LEU 56 HG LEU 56 -9.417 7.889 7.189 218 1HD1 LEU 56 HD11 LEU 56 -8.978 7.430 4.738 219 2HD1 LEU 56 HD12 LEU 56 -8.483 5.802 5.201 220 3HD1 LEU 56 HD13 LEU 56 -7.581 7.199 5.788 221 1HD2 LEU 56 HD21 LEU 56 -11.006 5.555 6.089 222 2HD2 LEU 56 HD22 LEU 56 -11.171 7.202 5.481 223 3HD2 LEU 56 HD23 LEU 56 -11.581 6.835 7.157 224 H ASP 57 HN ASP 57 -11.281 5.804 8.703 225 HA ASP 57 HA ASP 57 -12.131 5.596 11.482 226 1HB ASP 57 HB2 ASP 57 -13.366 5.274 8.806 227 2HB ASP 57 HB1 ASP 57 -14.081 4.306 10.095 228 H ASP 58 HN ASP 58 -12.776 3.023 9.157 229 HA ASP 58 HA ASP 58 -10.918 1.104 10.165 230 1HB ASP 58 HB2 ASP 58 -13.115 1.626 11.911 231 2HB ASP 58 HB1 ASP 58 -13.354 0.024 11.211 232 H ALA 59 HN ALA 59 -14.303 1.449 9.070 233 HA ALA 59 HA ALA 59 -14.189 -1.020 7.525 234 1HB ALA 59 HB1 ALA 59 -16.423 -0.745 7.548 235 2HB ALA 59 HB2 ALA 59 -16.267 0.741 6.611 236 3HB ALA 59 HB3 ALA 59 -16.206 0.799 8.372 237 H GLU 60 HN GLU 60 -13.390 2.316 6.980 238 HA GLU 60 HA GLU 60 -13.580 2.303 4.105 239 1HB GLU 60 HB2 GLU 60 -12.298 4.033 6.173 240 2HB GLU 60 HB1 GLU 60 -11.702 4.171 4.519 241 1HG GLU 60 HG2 GLU 60 -14.632 4.084 4.694 242 2HG GLU 60 HG1 GLU 60 -13.921 5.475 5.514 243 H LEU 61 HN LEU 61 -11.165 1.189 6.385 244 HA LEU 61 HA LEU 61 -8.964 1.026 4.539 245 1HB LEU 61 HB2 LEU 61 -9.587 0.064 7.251 246 2HB LEU 61 HB1 LEU 61 -8.519 -1.007 6.343 247 HG LEU 61 HG LEU 61 -7.505 1.498 5.759 248 1HD1 LEU 61 HD11 LEU 61 -7.197 2.284 8.273 249 2HD1 LEU 61 HD12 LEU 61 -8.744 1.465 8.488 250 3HD1 LEU 61 HD13 LEU 61 -8.604 2.797 7.340 251 1HD2 LEU 61 HD21 LEU 61 -6.011 -0.260 6.224 252 2HD2 LEU 61 HD22 LEU 61 -6.795 -0.644 7.757 253 3HD2 LEU 61 HD23 LEU 61 -5.801 0.806 7.613 254 H THR 62 HN THR 62 -11.664 -1.110 5.297 255 HA THR 62 HA THR 62 -10.628 -3.398 3.862 256 HB THR 62 HB THR 62 -13.549 -3.181 3.963 257 HG1 THR 62 HG1 THR 62 -13.750 -2.534 5.938 258 1HG2 THR 62 HG21 THR 62 -13.290 -5.392 4.298 259 2HG2 THR 62 HG22 THR 62 -12.276 -5.118 5.714 260 3HG2 THR 62 HG23 THR 62 -11.556 -5.141 4.105 261 H LYS 63 HN LYS 63 -12.790 -0.705 3.008 262 HA LYS 63 HA LYS 63 -13.408 -1.666 0.368 263 1HB LYS 63 HB2 LYS 63 -14.606 0.180 1.687 264 2HB LYS 63 HB1 LYS 63 -13.292 1.244 1.182 265 1HG LYS 63 HG2 LYS 63 -13.779 0.721 -1.183 266 2HG LYS 63 HG1 LYS 63 -15.102 -0.328 -0.676 267 1HD LYS 63 HD2 LYS 63 -16.249 1.573 0.362 268 2HD LYS 63 HD1 LYS 63 -14.908 2.636 -0.067 269 1HE LYS 63 HE2 LYS 63 -15.335 2.356 -2.419 270 2HE LYS 63 HE1 LYS 63 -16.506 1.073 -2.110 271 1HZ LYS 63 HZ1 LYS 63 -18.092 2.536 -1.513 272 2HZ LYS 63 HZ2 LYS 63 -17.192 3.603 -2.481 273 3HZ LYS 63 HZ3 LYS 63 -17.002 3.617 -0.793 274 H LEU 64 HN LEU 64 -10.820 0.381 1.665 275 HA LEU 64 HA LEU 64 -9.717 1.150 -0.871 276 1HB LEU 64 HB2 LEU 64 -9.117 2.299 1.223 277 2HB LEU 64 HB1 LEU 64 -8.349 0.827 1.819 278 HG LEU 64 HG LEU 64 -6.829 0.893 -0.186 279 1HD1 LEU 64 HD11 LEU 64 -6.702 2.964 -1.475 280 2HD1 LEU 64 HD12 LEU 64 -7.999 3.673 -0.512 281 3HD1 LEU 64 HD13 LEU 64 -8.337 2.311 -1.581 282 1HD2 LEU 64 HD21 LEU 64 -5.469 1.826 1.352 283 2HD2 LEU 64 HD22 LEU 64 -6.839 2.593 2.154 284 3HD2 LEU 64 HD23 LEU 64 -6.027 3.411 0.819 285 H ALA 65 HN ALA 65 -8.793 -1.459 1.403 286 HA ALA 65 HA ALA 65 -6.781 -2.588 -0.287 287 1HB ALA 65 HB1 ALA 65 -8.005 -3.205 2.228 288 2HB ALA 65 HB2 ALA 65 -6.495 -3.832 1.566 289 3HB ALA 65 HB3 ALA 65 -8.016 -4.662 1.235 290 H ALA 66 HN ALA 66 -10.265 -2.852 -0.261 291 HA ALA 66 HA ALA 66 -10.390 -5.229 -1.928 292 1HB ALA 66 HB1 ALA 66 -12.774 -4.639 -2.181 293 2HB ALA 66 HB2 ALA 66 -12.467 -3.071 -1.435 294 3HB ALA 66 HB3 ALA 66 -12.281 -4.548 -0.490 295 H GLU 67 HN GLU 67 -10.324 -1.744 -2.500 296 HA GLU 67 HA GLU 67 -10.889 -1.989 -5.348 297 1HB GLU 67 HB2 GLU 67 -10.961 0.092 -3.573 298 2HB GLU 67 HB1 GLU 67 -9.443 0.412 -4.413 299 1HG GLU 67 HG2 GLU 67 -10.480 0.716 -6.465 300 2HG GLU 67 HG1 GLU 67 -11.850 -0.312 -6.041 301 H LEU 68 HN LEU 68 -8.043 -2.074 -3.323 302 HA LEU 68 HA LEU 68 -6.166 -1.633 -5.513 303 1HB LEU 68 HB2 LEU 68 -6.046 -1.977 -2.633 304 2HB LEU 68 HB1 LEU 68 -4.830 -2.972 -3.435 305 HG LEU 68 HG LEU 68 -3.879 -0.774 -3.000 306 1HD1 LEU 68 HD11 LEU 68 -4.579 -0.711 -5.928 307 2HD1 LEU 68 HD12 LEU 68 -3.593 -2.023 -5.281 308 3HD1 LEU 68 HD13 LEU 68 -3.037 -0.354 -5.150 309 1HD2 LEU 68 HD21 LEU 68 -6.164 0.356 -2.943 310 2HD2 LEU 68 HD22 LEU 68 -6.103 0.378 -4.705 311 3HD2 LEU 68 HD23 LEU 68 -4.896 1.261 -3.769 312 H LYS 69 HN LYS 69 -7.542 -4.437 -3.840 313 HA LYS 69 HA LYS 69 -5.860 -6.397 -5.113 314 1HB LYS 69 HB2 LYS 69 -7.587 -6.540 -3.069 315 2HB LYS 69 HB1 LYS 69 -8.659 -7.102 -4.353 316 1HG LYS 69 HG2 LYS 69 -7.278 -8.946 -4.864 317 2HG LYS 69 HG1 LYS 69 -5.888 -8.247 -4.032 318 1HD LYS 69 HD2 LYS 69 -6.499 -9.589 -2.306 319 2HD LYS 69 HD1 LYS 69 -7.745 -8.375 -2.011 320 1HE LYS 69 HE2 LYS 69 -9.400 -9.625 -3.133 321 2HE LYS 69 HE1 LYS 69 -8.207 -10.627 -3.961 322 1HZ LYS 69 HZ1 LYS 69 -8.166 -10.689 -1.052 323 2HZ LYS 69 HZ2 LYS 69 -7.929 -11.945 -2.171 324 3HZ LYS 69 HZ3 LYS 69 -9.502 -11.421 -1.797 325 H LYS 70 HN LYS 70 -8.669 -4.619 -6.140 326 HA LYS 70 HA LYS 70 -9.700 -6.324 -8.144 327 1HB LYS 70 HB2 LYS 70 -10.404 -3.894 -7.304 328 2HB LYS 70 HB1 LYS 70 -9.473 -3.397 -8.717 329 1HG LYS 70 HG2 LYS 70 -11.249 -3.888 -10.006 330 2HG LYS 70 HG1 LYS 70 -11.064 -5.582 -9.550 331 1HD LYS 70 HD2 LYS 70 -13.086 -5.405 -8.560 332 2HD LYS 70 HD1 LYS 70 -12.284 -4.430 -7.327 333 1HE LYS 70 HE2 LYS 70 -13.499 -2.651 -7.969 334 2HE LYS 70 HE1 LYS 70 -12.752 -2.736 -9.564 335 1HZ LYS 70 HZ1 LYS 70 -14.491 -4.663 -9.845 336 2HZ LYS 70 HZ2 LYS 70 -14.917 -3.042 -10.126 337 3HZ LYS 70 HZ3 LYS 70 -15.325 -3.789 -8.655 338 H LYS 71 HN LYS 71 -6.793 -4.353 -8.108 339 HA LYS 71 HA LYS 71 -6.106 -5.488 -10.784 340 1HB LYS 71 HB2 LYS 71 -5.362 -2.695 -9.877 341 2HB LYS 71 HB1 LYS 71 -5.144 -3.396 -11.481 342 1HG LYS 71 HG2 LYS 71 -7.451 -3.345 -11.953 343 2HG LYS 71 HG1 LYS 71 -7.887 -3.192 -10.251 344 1HD LYS 71 HD2 LYS 71 -6.164 -1.007 -11.096 345 2HD LYS 71 HD1 LYS 71 -7.620 -1.098 -12.089 346 1HE LYS 71 HE2 LYS 71 -9.033 -0.694 -10.302 347 2HE LYS 71 HE1 LYS 71 -7.915 -1.385 -9.126 348 1HZ LYS 71 HZ1 LYS 71 -6.453 0.552 -9.534 349 2HZ LYS 71 HZ2 LYS 71 -7.949 0.967 -8.845 350 3HZ LYS 71 HZ3 LYS 71 -7.670 1.234 -10.499 351 H CYS 72 HN CYS 72 -5.269 -6.812 -8.587 352 HA CYS 72 HA CYS 72 -2.479 -5.855 -8.103 353 1HB CYS 72 HB2 CYS 72 -4.098 -6.262 -6.137 354 2HB CYS 72 HB1 CYS 72 -3.912 -7.977 -6.502 355 HG CYS 72 HG CYS 72 -1.402 -6.217 -5.884 356 H GLY 73 HN GLY 73 -4.444 -8.507 -9.287 357 1HA GLY 73 HA2 GLY 73 -3.774 -10.276 -10.704 358 2HA GLY 73 HA1 GLY 73 -2.122 -9.661 -10.626 359 H CYS 74 HN CYS 74 -3.335 -9.923 -7.514 360 HA CYS 74 HA CYS 74 -3.146 -12.689 -6.933 361 1HB CYS 74 HB2 CYS 74 -0.857 -12.614 -7.712 362 2HB CYS 74 HB1 CYS 74 -0.525 -11.179 -6.742 363 HG CYS 74 HG CYS 74 -0.042 -13.831 -5.702 364 H GLY 75 HN GLY 75 -4.086 -12.822 -4.955 365 1HA GLY 75 HA2 GLY 75 -3.930 -10.436 -3.175 366 2HA GLY 75 HA1 GLY 75 -5.190 -11.669 -3.107 367 H GLY 76 HN GLY 76 -3.063 -10.617 -1.115 368 1HA GLY 76 HA2 GLY 76 -1.926 -13.292 -0.404 369 2HA GLY 76 HA1 GLY 76 -1.158 -11.761 0.021 370 H ALA 77 HN ALA 77 -1.799 -10.725 1.897 371 HA ALA 77 HA ALA 77 -4.019 -12.029 3.425 372 1HB ALA 77 HB1 ALA 77 -2.800 -11.347 5.477 373 2HB ALA 77 HB2 ALA 77 -1.507 -10.686 4.475 374 3HB ALA 77 HB3 ALA 77 -1.827 -12.420 4.470 375 H VAL 78 HN VAL 78 -5.653 -10.687 4.096 376 HA VAL 78 HA VAL 78 -5.194 -7.742 3.830 377 HB VAL 78 HB VAL 78 -7.868 -9.060 3.362 378 1HG1 VAL 78 HG11 VAL 78 -8.100 -6.953 1.941 379 2HG1 VAL 78 HG12 VAL 78 -6.585 -6.410 2.661 380 3HG1 VAL 78 HG13 VAL 78 -7.996 -6.691 3.682 381 1HG2 VAL 78 HG21 VAL 78 -6.653 -10.128 1.674 382 2HG2 VAL 78 HG22 VAL 78 -5.516 -8.790 1.509 383 3HG2 VAL 78 HG23 VAL 78 -7.150 -8.643 0.863 384 H LYS 79 HN LYS 79 -4.939 -7.275 6.014 385 HA LYS 79 HA LYS 79 -7.176 -8.114 7.816 386 1HB LYS 79 HB2 LYS 79 -4.353 -7.313 8.591 387 2HB LYS 79 HB1 LYS 79 -5.608 -7.912 9.676 388 1HG LYS 79 HG2 LYS 79 -5.662 -10.044 8.393 389 2HG LYS 79 HG1 LYS 79 -4.341 -9.446 7.387 390 1HD LYS 79 HD2 LYS 79 -2.906 -9.234 9.378 391 2HD LYS 79 HD1 LYS 79 -4.224 -9.817 10.395 392 1HE LYS 79 HE2 LYS 79 -3.159 -11.423 8.066 393 2HE LYS 79 HE1 LYS 79 -2.487 -11.563 9.690 394 1HZ LYS 79 HZ1 LYS 79 -5.378 -11.709 9.505 395 2HZ LYS 79 HZ2 LYS 79 -4.299 -12.622 10.449 396 3HZ LYS 79 HZ3 LYS 79 -4.540 -13.011 8.813 397 H ASP 80 HN ASP 80 -8.227 -6.490 8.983 398 HA ASP 80 HA ASP 80 -8.209 -3.839 7.942 399 1HB ASP 80 HB2 ASP 80 -10.135 -4.740 9.166 400 2HB ASP 80 HB1 ASP 80 -9.172 -4.840 10.640 401 H GLY 81 HN GLY 81 -6.214 -2.809 7.981 402 1HA GLY 81 HA2 GLY 81 -5.072 -1.144 9.507 403 2HA GLY 81 HA1 GLY 81 -4.966 -2.458 10.680 404 H VAL 82 HN VAL 82 -4.331 -4.487 8.660 405 HA VAL 82 HA VAL 82 -1.640 -3.556 7.762 406 HB VAL 82 HB VAL 82 -2.211 -6.234 9.066 407 1HG1 VAL 82 HG11 VAL 82 0.263 -4.870 7.997 408 2HG1 VAL 82 HG12 VAL 82 -0.364 -6.467 7.591 409 3HG1 VAL 82 HG13 VAL 82 0.362 -6.181 9.173 410 1HG2 VAL 82 HG21 VAL 82 -1.981 -3.735 10.305 411 2HG2 VAL 82 HG22 VAL 82 -0.374 -4.446 10.452 412 3HG2 VAL 82 HG23 VAL 82 -1.779 -5.306 11.081 413 H ILE 83 HN ILE 83 -1.574 -3.825 5.587 414 HA ILE 83 HA ILE 83 -2.982 -6.202 4.434 415 HB ILE 83 HB ILE 83 -2.651 -3.434 3.237 416 1HG1 ILE 83 HG12 ILE 83 -5.316 -4.677 3.551 417 2HG1 ILE 83 HG11 ILE 83 -4.507 -4.271 5.065 418 1HG2 ILE 83 HG21 ILE 83 -2.770 -5.865 1.898 419 2HG2 ILE 83 HG22 ILE 83 -3.194 -4.294 1.216 420 3HG2 ILE 83 HG23 ILE 83 -4.449 -5.323 1.907 421 1HD1 ILE 83 HD11 ILE 83 -4.182 -1.967 4.311 422 2HD1 ILE 83 HD12 ILE 83 -5.891 -2.389 4.206 423 3HD1 ILE 83 HD13 ILE 83 -4.900 -2.355 2.748 424 H GLU 84 HN GLU 84 -1.589 -7.586 3.452 425 HA GLU 84 HA GLU 84 1.092 -6.537 2.661 426 1HB GLU 84 HB2 GLU 84 1.002 -8.425 4.317 427 2HB GLU 84 HB1 GLU 84 0.242 -9.418 3.073 428 1HG GLU 84 HG2 GLU 84 2.168 -9.432 1.726 429 2HG GLU 84 HG1 GLU 84 2.845 -8.010 2.519 430 H ILE 85 HN ILE 85 1.479 -6.336 0.511 431 HA ILE 85 HA ILE 85 -0.268 -7.883 -1.362 432 HB ILE 85 HB ILE 85 1.094 -5.201 -1.760 433 1HG1 ILE 85 HG12 ILE 85 -0.907 -5.145 -0.297 434 2HG1 ILE 85 HG11 ILE 85 -1.214 -4.342 -1.837 435 1HG2 ILE 85 HG21 ILE 85 0.918 -5.640 -3.962 436 2HG2 ILE 85 HG22 ILE 85 -0.833 -5.707 -3.759 437 3HG2 ILE 85 HG23 ILE 85 0.127 -7.181 -3.634 438 1HD1 ILE 85 HD11 ILE 85 -2.074 -7.126 -1.013 439 2HD1 ILE 85 HD12 ILE 85 -2.176 -6.534 -2.671 440 3HD1 ILE 85 HD13 ILE 85 -3.112 -5.752 -1.397 441 H GLN 86 HN GLN 86 0.740 -8.991 -3.059 442 HA GLN 86 HA GLN 86 3.726 -9.096 -2.903 443 1HB GLN 86 HB2 GLN 86 2.633 -11.221 -2.308 444 2HB GLN 86 HB1 GLN 86 1.762 -11.211 -3.841 445 1HG GLN 86 HG2 GLN 86 3.536 -12.060 -4.941 446 2HG GLN 86 HG1 GLN 86 4.612 -10.838 -4.262 447 1HE2 GLN 86 HE21 GLN 86 5.041 -13.828 -4.572 448 2HE2 GLN 86 HE22 GLN 86 5.410 -14.379 -3.010 449 H GLY 87 HN GLY 87 4.606 -7.976 -4.575 450 1HA GLY 87 HA2 GLY 87 4.151 -8.644 -7.298 451 2HA GLY 87 HA1 GLY 87 3.205 -7.200 -6.933 452 H ASP 88 HN ASP 88 4.412 -5.657 -8.028 453 HA ASP 88 HA ASP 88 6.765 -4.623 -6.778 454 1HB ASP 88 HB2 ASP 88 7.528 -6.809 -8.059 455 2HB ASP 88 HB1 ASP 88 7.461 -5.750 -9.468 456 H LYS 89 HN LYS 89 5.202 -2.839 -7.129 457 HA LYS 89 HA LYS 89 5.816 -1.412 -9.619 458 1HB LYS 89 HB2 LYS 89 2.959 -2.157 -8.918 459 2HB LYS 89 HB1 LYS 89 3.436 -1.054 -10.210 460 1HG LYS 89 HG2 LYS 89 4.778 -2.915 -11.224 461 2HG LYS 89 HG1 LYS 89 4.117 -4.000 -10.000 462 1HD LYS 89 HD2 LYS 89 1.815 -3.396 -10.783 463 2HD LYS 89 HD1 LYS 89 2.547 -2.457 -12.084 464 1HE LYS 89 HE2 LYS 89 3.774 -4.564 -12.778 465 2HE LYS 89 HE1 LYS 89 2.771 -5.441 -11.623 466 1HZ LYS 89 HZ1 LYS 89 1.935 -5.373 -13.975 467 2HZ LYS 89 HZ2 LYS 89 1.632 -3.717 -13.745 468 3HZ LYS 89 HZ3 LYS 89 0.828 -4.871 -12.792 469 H ARG 90 HN ARG 90 6.424 -0.899 -6.882 470 HA ARG 90 HA ARG 90 4.713 0.752 -5.434 471 1HB ARG 90 HB2 ARG 90 6.916 0.186 -4.582 472 2HB ARG 90 HB1 ARG 90 7.693 1.078 -5.891 473 1HG ARG 90 HG2 ARG 90 6.505 3.152 -5.053 474 2HG ARG 90 HG1 ARG 90 6.014 2.214 -3.642 475 1HD ARG 90 HD2 ARG 90 8.337 1.802 -3.047 476 2HD ARG 90 HD1 ARG 90 8.890 2.597 -4.522 477 HE ARG 90 HE ARG 90 7.289 4.456 -3.100 478 1HH1 ARG 90 HH11 ARG 90 10.274 4.541 -4.035 479 2HH1 ARG 90 HH12 ARG 90 11.039 4.934 -2.531 480 1HH2 ARG 90 HH21 ARG 90 8.253 4.175 -0.611 481 2HH2 ARG 90 HH22 ARG 90 9.894 4.726 -0.593 482 H ASP 91 HN ASP 91 6.454 1.498 -8.401 483 HA ASP 91 HA ASP 91 6.190 4.319 -8.402 484 1HB ASP 91 HB2 ASP 91 6.747 2.229 -10.354 485 2HB ASP 91 HB1 ASP 91 5.793 3.536 -11.056 486 H LEU 92 HN LEU 92 3.982 1.889 -9.841 487 HA LEU 92 HA LEU 92 1.959 3.785 -10.552 488 1HB LEU 92 HB2 LEU 92 2.168 1.384 -11.375 489 2HB LEU 92 HB1 LEU 92 1.485 0.883 -9.828 490 HG LEU 92 HG LEU 92 -0.305 2.792 -10.521 491 1HD1 LEU 92 HD11 LEU 92 -0.429 1.677 -13.131 492 2HD1 LEU 92 HD12 LEU 92 1.219 2.263 -12.902 493 3HD1 LEU 92 HD13 LEU 92 -0.145 3.362 -12.692 494 1HD2 LEU 92 HD21 LEU 92 -1.759 0.950 -11.219 495 2HD2 LEU 92 HD22 LEU 92 -0.747 0.422 -9.875 496 3HD2 LEU 92 HD23 LEU 92 -0.355 -0.074 -11.521 497 H LEU 93 HN LEU 93 2.657 2.049 -7.569 498 HA LEU 93 HA LEU 93 0.188 2.460 -6.226 499 1HB LEU 93 HB2 LEU 93 2.982 1.881 -5.443 500 2HB LEU 93 HB1 LEU 93 2.003 2.657 -4.198 501 HG LEU 93 HG LEU 93 0.749 0.410 -5.701 502 1HD1 LEU 93 HD11 LEU 93 2.585 -0.896 -5.300 503 2HD1 LEU 93 HD12 LEU 93 1.910 -0.966 -3.672 504 3HD1 LEU 93 HD13 LEU 93 3.200 0.178 -4.044 505 1HD2 LEU 93 HD21 LEU 93 0.528 1.818 -3.120 506 2HD2 LEU 93 HD22 LEU 93 0.347 0.068 -3.000 507 3HD2 LEU 93 HD23 LEU 93 -0.716 0.994 -4.060 508 H LYS 94 HN LYS 94 3.051 4.557 -6.506 509 HA LYS 94 HA LYS 94 2.088 6.620 -4.765 510 1HB LYS 94 HB2 LYS 94 4.447 6.469 -5.478 511 2HB LYS 94 HB1 LYS 94 3.969 6.832 -7.137 512 1HG LYS 94 HG2 LYS 94 3.063 9.009 -6.399 513 2HG LYS 94 HG1 LYS 94 3.557 8.650 -4.744 514 1HD LYS 94 HD2 LYS 94 5.911 8.488 -5.488 515 2HD LYS 94 HD1 LYS 94 5.411 8.879 -7.134 516 1HE LYS 94 HE2 LYS 94 4.445 11.028 -6.258 517 2HE LYS 94 HE1 LYS 94 5.152 10.649 -4.687 518 1HZ LYS 94 HZ1 LYS 94 7.230 11.062 -5.416 519 2HZ LYS 94 HZ2 LYS 94 6.419 12.047 -6.538 520 3HZ LYS 94 HZ3 LYS 94 6.929 10.489 -6.984 521 H SER 95 HN SER 95 1.408 5.816 -8.100 522 HA SER 95 HA SER 95 0.252 8.389 -8.789 523 1HB SER 95 HB2 SER 95 1.081 6.360 -10.307 524 2HB SER 95 HB1 SER 95 -0.607 5.878 -10.167 525 HG SER 95 HG SER 95 0.003 7.361 -11.948 526 H LEU 96 HN LEU 96 -1.312 5.192 -8.334 527 HA LEU 96 HA LEU 96 -3.962 6.108 -8.197 528 1HB LEU 96 HB2 LEU 96 -4.399 4.063 -6.810 529 2HB LEU 96 HB1 LEU 96 -3.461 3.729 -8.266 530 HG LEU 96 HG LEU 96 -1.393 4.130 -6.709 531 1HD1 LEU 96 HD11 LEU 96 -1.840 4.482 -4.533 532 2HD1 LEU 96 HD12 LEU 96 -2.695 2.941 -4.457 533 3HD1 LEU 96 HD13 LEU 96 -3.568 4.414 -4.878 534 1HD2 LEU 96 HD21 LEU 96 -1.788 1.660 -5.836 535 2HD2 LEU 96 HD22 LEU 96 -1.568 1.970 -7.558 536 3HD2 LEU 96 HD23 LEU 96 -3.189 1.734 -6.904 537 H LEU 97 HN LEU 97 -1.443 6.199 -5.742 538 HA LEU 97 HA LEU 97 -3.189 6.844 -3.534 539 1HB LEU 97 HB2 LEU 97 -0.541 6.186 -3.755 540 2HB LEU 97 HB1 LEU 97 -0.440 7.921 -3.449 541 HG LEU 97 HG LEU 97 -0.439 6.595 -1.343 542 1HD1 LEU 97 HD11 LEU 97 -1.694 8.170 -0.248 543 2HD1 LEU 97 HD12 LEU 97 -3.092 7.935 -1.298 544 3HD1 LEU 97 HD13 LEU 97 -1.732 8.916 -1.845 545 1HD2 LEU 97 HD21 LEU 97 -3.224 5.931 -1.253 546 2HD2 LEU 97 HD22 LEU 97 -1.840 4.844 -1.127 547 3HD2 LEU 97 HD23 LEU 97 -2.533 5.211 -2.707 548 H GLU 98 HN GLU 98 -1.105 8.864 -5.630 549 HA GLU 98 HA GLU 98 -1.952 11.356 -4.485 550 1HB GLU 98 HB2 GLU 98 -0.001 10.666 -6.231 551 2HB GLU 98 HB1 GLU 98 -1.195 11.310 -7.358 552 1HG GLU 98 HG2 GLU 98 -1.309 13.402 -6.097 553 2HG GLU 98 HG1 GLU 98 -0.192 12.761 -4.891 554 H ALA 99 HN ALA 99 -3.548 9.137 -6.533 555 HA ALA 99 HA ALA 99 -5.215 11.032 -7.962 556 1HB ALA 99 HB1 ALA 99 -5.827 9.174 -9.077 557 2HB ALA 99 HB2 ALA 99 -6.486 8.462 -7.604 558 3HB ALA 99 HB3 ALA 99 -4.783 8.240 -8.006 559 H LYS 100 HN LYS 100 -5.352 9.465 -4.833 560 HA LYS 100 HA LYS 100 -8.159 10.261 -4.409 561 1HB LYS 100 HB2 LYS 100 -6.096 8.805 -2.757 562 2HB LYS 100 HB1 LYS 100 -7.603 9.372 -2.036 563 1HG LYS 100 HG2 LYS 100 -8.223 7.235 -2.716 564 2HG LYS 100 HG1 LYS 100 -8.693 8.183 -4.127 565 1HD LYS 100 HD2 LYS 100 -7.033 7.311 -5.433 566 2HD LYS 100 HD1 LYS 100 -5.883 7.240 -4.098 567 1HE LYS 100 HE2 LYS 100 -6.523 5.133 -3.479 568 2HE LYS 100 HE1 LYS 100 -8.213 5.414 -3.896 569 1HZ LYS 100 HZ1 LYS 100 -7.910 4.649 -5.957 570 2HZ LYS 100 HZ2 LYS 100 -6.487 3.946 -5.352 571 3HZ LYS 100 HZ3 LYS 100 -6.424 5.443 -6.153 572 H GLY 101 HN GLY 101 -5.070 11.652 -4.066 573 1HA GLY 101 HA2 GLY 101 -4.491 13.796 -3.276 574 2HA GLY 101 HA1 GLY 101 -6.191 14.057 -2.883 575 H MET 102 HN MET 102 -4.366 11.295 -1.697 576 HA MET 102 HA MET 102 -4.827 12.287 1.067 577 1HB MET 102 HB2 MET 102 -3.926 9.551 0.114 578 2HB MET 102 HB1 MET 102 -4.399 9.980 1.759 579 1HG MET 102 HG2 MET 102 -6.546 10.849 0.222 580 2HG MET 102 HG1 MET 102 -6.080 9.330 -0.543 581 1HE MET 102 HE1 MET 102 -6.050 6.734 1.459 582 2HE MET 102 HE2 MET 102 -5.269 7.526 2.825 583 3HE MET 102 HE3 MET 102 -4.744 7.895 1.184 584 H LYS 103 HN LYS 103 -3.001 11.803 2.652 585 HA LYS 103 HA LYS 103 -0.493 12.843 1.511 586 1HB LYS 103 HB2 LYS 103 -1.737 12.688 4.165 587 2HB LYS 103 HB1 LYS 103 -0.009 12.331 4.186 588 1HG LYS 103 HG2 LYS 103 0.224 14.445 2.694 589 2HG LYS 103 HG1 LYS 103 -1.399 14.840 3.261 590 1HD LYS 103 HD2 LYS 103 -0.596 14.629 5.610 591 2HD LYS 103 HD1 LYS 103 1.034 14.342 5.001 592 1HE LYS 103 HE2 LYS 103 -0.085 16.695 3.753 593 2HE LYS 103 HE1 LYS 103 -0.178 16.840 5.508 594 1HZ LYS 103 HZ1 LYS 103 1.942 17.493 5.298 595 2HZ LYS 103 HZ2 LYS 103 2.142 16.762 3.777 596 3HZ LYS 103 HZ3 LYS 103 2.274 15.833 5.194 597 H VAL 104 HN VAL 104 0.360 11.082 0.329 598 HA VAL 104 HA VAL 104 0.663 8.464 1.623 599 HB VAL 104 HB VAL 104 0.258 8.780 -0.858 600 1HG1 VAL 104 HG11 VAL 104 1.822 10.710 -1.102 601 2HG1 VAL 104 HG12 VAL 104 2.165 9.415 -2.248 602 3HG1 VAL 104 HG13 VAL 104 3.174 9.615 -0.816 603 1HG2 VAL 104 HG21 VAL 104 1.035 6.636 -0.170 604 2HG2 VAL 104 HG22 VAL 104 2.651 7.249 0.181 605 3HG2 VAL 104 HG23 VAL 104 2.106 7.105 -1.490 606 H LYS 105 HN LYS 105 2.520 7.716 2.600 607 HA LYS 105 HA LYS 105 4.782 9.654 2.791 608 1HB LYS 105 HB2 LYS 105 3.384 8.208 4.759 609 2HB LYS 105 HB1 LYS 105 4.949 7.406 4.617 610 1HG LYS 105 HG2 LYS 105 5.848 9.064 5.843 611 2HG LYS 105 HG1 LYS 105 5.492 10.173 4.518 612 1HD LYS 105 HD2 LYS 105 3.055 10.106 5.592 613 2HD LYS 105 HD1 LYS 105 3.966 9.682 7.041 614 1HE LYS 105 HE2 LYS 105 5.277 11.694 6.903 615 2HE LYS 105 HE1 LYS 105 4.636 12.069 5.303 616 1HZ LYS 105 HZ1 LYS 105 3.275 13.354 6.555 617 2HZ LYS 105 HZ2 LYS 105 3.384 12.356 7.926 618 3HZ LYS 105 HZ3 LYS 105 2.378 11.916 6.629 619 H LEU 106 HN LEU 106 5.845 9.017 0.842 620 HA LEU 106 HA LEU 106 6.385 6.357 0.036 621 1HB LEU 106 HB2 LEU 106 7.979 8.902 -0.368 622 2HB LEU 106 HB1 LEU 106 8.359 7.378 -1.170 623 HG LEU 106 HG LEU 106 5.593 8.571 -1.319 624 1HD1 LEU 106 HD11 LEU 106 7.725 8.990 -3.415 625 2HD1 LEU 106 HD12 LEU 106 7.467 10.160 -2.121 626 3HD1 LEU 106 HD13 LEU 106 6.167 9.803 -3.258 627 1HD2 LEU 106 HD21 LEU 106 7.171 6.721 -3.137 628 2HD2 LEU 106 HD22 LEU 106 5.488 7.200 -3.357 629 3HD2 LEU 106 HD23 LEU 106 5.948 6.201 -1.978 630 H ALA 107 HN ALA 107 7.016 5.059 1.803 631 HA ALA 107 HA ALA 107 9.292 5.857 3.474 632 1HB ALA 107 HB1 ALA 107 8.123 4.494 4.851 633 2HB ALA 107 HB2 ALA 107 8.822 3.156 3.938 634 3HB ALA 107 HB3 ALA 107 7.231 3.781 3.507 635 H GLY 108 HN GLY 108 11.349 5.602 2.767 636 1HA GLY 108 HA2 GLY 108 12.137 3.106 1.431 637 2HA GLY 108 HA1 GLY 108 12.314 4.559 0.447 638 H GLY 109 HN GLY 109 14.667 3.863 0.580 639 1HA GLY 109 HA2 GLY 109 16.239 5.582 2.061 640 2HA GLY 109 HA1 GLY 109 16.032 4.198 3.135 641 H LEU 110 HN LEU 110 18.560 4.928 2.087 642 HA LEU 110 HA LEU 110 19.370 2.401 0.925 643 1HB LEU 110 HB2 LEU 110 20.202 3.283 -1.219 644 2HB LEU 110 HB1 LEU 110 18.455 3.493 -1.100 645 HG LEU 110 HG LEU 110 19.407 5.814 0.047 646 1HD1 LEU 110 HD11 LEU 110 21.271 6.611 -1.091 647 2HD1 LEU 110 HD12 LEU 110 21.026 5.529 -2.461 648 3HD1 LEU 110 HD13 LEU 110 21.682 4.902 -0.949 649 1HD2 LEU 110 HD21 LEU 110 18.301 4.995 -2.592 650 2HD2 LEU 110 HD22 LEU 110 18.998 6.612 -2.501 651 3HD2 LEU 110 HD23 LEU 110 17.676 6.159 -1.425 652 H GLU 111 HN GLU 111 21.692 2.213 0.882 653 HA GLU 111 HA GLU 111 23.318 4.538 1.646 654 1HB GLU 111 HB2 GLU 111 22.240 3.489 3.774 655 2HB GLU 111 HB1 GLU 111 23.382 2.171 3.509 656 1HG GLU 111 HG2 GLU 111 25.154 4.084 3.307 657 2HG GLU 111 HG1 GLU 111 23.946 5.055 4.150 Start of MODEL 17 1 HA LYS 29 HA LYS 29 -15.563 17.488 5.491 2 1HB LYS 29 HB2 LYS 29 -12.828 18.667 4.920 3 2HB LYS 29 HB1 LYS 29 -13.807 17.819 3.722 4 1HG LYS 29 HG2 LYS 29 -15.631 19.455 4.062 5 2HG LYS 29 HG1 LYS 29 -14.633 20.315 5.235 6 1HD LYS 29 HD2 LYS 29 -12.955 20.779 3.517 7 2HD LYS 29 HD1 LYS 29 -13.877 19.850 2.335 8 1HE LYS 29 HE2 LYS 29 -15.789 21.426 2.647 9 2HE LYS 29 HE1 LYS 29 -14.779 22.389 3.725 10 1HZ LYS 29 HZ1 LYS 29 -13.217 22.062 1.539 11 2HZ LYS 29 HZ2 LYS 29 -14.151 23.439 1.881 12 3HZ LYS 29 HZ3 LYS 29 -14.761 22.228 0.857 13 H GLY 30 HN GLY 30 -12.042 17.048 5.583 14 1HA GLY 30 HA2 GLY 30 -11.583 14.764 6.952 15 2HA GLY 30 HA1 GLY 30 -12.452 14.128 5.555 16 H ASP 31 HN ASP 31 -10.149 13.056 5.464 17 HA ASP 31 HA ASP 31 -8.781 14.132 3.199 18 1HB ASP 31 HB2 ASP 31 -7.931 15.140 5.800 19 2HB ASP 31 HB1 ASP 31 -6.618 14.317 4.957 20 H GLY 32 HN GLY 32 -7.368 12.578 2.357 21 1HA GLY 32 HA2 GLY 32 -6.871 10.187 4.085 22 2HA GLY 32 HA1 GLY 32 -7.392 10.019 2.408 23 H VAL 33 HN VAL 33 -4.709 9.923 4.332 24 HA VAL 33 HA VAL 33 -2.942 10.661 2.034 25 HB VAL 33 HB VAL 33 -1.213 11.168 3.864 26 1HG1 VAL 33 HG11 VAL 33 -3.418 13.122 4.204 27 2HG1 VAL 33 HG12 VAL 33 -2.967 12.764 2.537 28 3HG1 VAL 33 HG13 VAL 33 -1.759 13.379 3.665 29 1HG2 VAL 33 HG21 VAL 33 -1.828 11.175 6.061 30 2HG2 VAL 33 HG22 VAL 33 -3.109 10.090 5.520 31 3HG2 VAL 33 HG23 VAL 33 -3.434 11.814 5.707 32 H VAL 34 HN VAL 34 -2.853 8.467 1.328 33 HA VAL 34 HA VAL 34 -1.803 6.476 3.267 34 HB VAL 34 HB VAL 34 -2.714 6.094 0.398 35 1HG1 VAL 34 HG11 VAL 34 -2.089 4.154 2.645 36 2HG1 VAL 34 HG12 VAL 34 -1.196 4.338 1.135 37 3HG1 VAL 34 HG13 VAL 34 -2.839 3.698 1.116 38 1HG2 VAL 34 HG21 VAL 34 -4.271 5.137 2.764 39 2HG2 VAL 34 HG22 VAL 34 -4.845 5.645 1.176 40 3HG2 VAL 34 HG23 VAL 34 -4.360 6.852 2.366 41 H ARG 35 HN ARG 35 0.023 5.075 2.493 42 HA ARG 35 HA ARG 35 1.767 6.314 0.448 43 1HB ARG 35 HB2 ARG 35 2.927 5.688 3.159 44 2HB ARG 35 HB1 ARG 35 3.602 6.694 1.877 45 1HG ARG 35 HG2 ARG 35 1.767 8.332 2.222 46 2HG ARG 35 HG1 ARG 35 1.156 7.343 3.548 47 1HD ARG 35 HD2 ARG 35 3.332 7.602 4.718 48 2HD ARG 35 HD1 ARG 35 3.891 8.647 3.411 49 HE ARG 35 HE ARG 35 1.416 9.655 4.455 50 1HH1 ARG 35 HH21 ARG 35 4.404 8.863 5.869 51 2HH1 ARG 35 HH22 ARG 35 4.647 10.415 6.599 52 1HH2 ARG 35 HH11 ARG 35 1.869 11.849 5.100 53 2HH2 ARG 35 HH12 ARG 35 3.211 12.105 6.164 54 H ILE 36 HN ILE 36 2.473 4.657 -0.799 55 HA ILE 36 HA ILE 36 2.781 1.975 0.493 56 HB ILE 36 HB ILE 36 2.373 2.379 -2.464 57 1HG1 ILE 36 HG12 ILE 36 -0.090 1.642 -1.284 58 2HG1 ILE 36 HG11 ILE 36 0.495 3.030 -0.365 59 1HG2 ILE 36 HG21 ILE 36 2.080 0.157 -0.456 60 2HG2 ILE 36 HG22 ILE 36 2.938 0.153 -1.997 61 3HG2 ILE 36 HG23 ILE 36 1.175 0.103 -1.969 62 1HD1 ILE 36 HD11 ILE 36 1.045 3.923 -2.835 63 2HD1 ILE 36 HD12 ILE 36 -0.531 4.168 -2.082 64 3HD1 ILE 36 HD13 ILE 36 -0.299 2.853 -3.233 65 H GLN 37 HN GLN 37 4.995 2.168 0.996 66 HA GLN 37 HA GLN 37 6.826 2.713 -1.298 67 1HB GLN 37 HB2 GLN 37 8.558 3.088 0.431 68 2HB GLN 37 HB1 GLN 37 7.168 4.147 0.676 69 1HG GLN 37 HG2 GLN 37 6.362 2.868 2.491 70 2HG GLN 37 HG1 GLN 37 7.349 1.472 2.057 71 1HE2 GLN 37 HE21 GLN 37 9.783 1.776 2.306 72 2HE2 GLN 37 HE22 GLN 37 10.342 2.818 3.523 73 H ARG 38 HN ARG 38 9.066 1.411 -0.700 74 HA ARG 38 HA ARG 38 8.230 -1.434 -0.290 75 1HB ARG 38 HB2 ARG 38 9.820 -0.141 -2.431 76 2HB ARG 38 HB1 ARG 38 10.474 -1.658 -1.812 77 1HG ARG 38 HG2 ARG 38 8.169 -2.664 -2.126 78 2HG ARG 38 HG1 ARG 38 7.722 -1.188 -2.981 79 1HD ARG 38 HD2 ARG 38 8.421 -2.814 -4.630 80 2HD ARG 38 HD1 ARG 38 9.675 -1.579 -4.523 81 HE ARG 38 HE ARG 38 10.025 -4.022 -2.879 82 1HH1 ARG 38 HH11 ARG 38 12.222 -2.045 -3.455 83 2HH1 ARG 38 HH12 ARG 38 13.114 -2.858 -4.697 84 1HH2 ARG 38 HH21 ARG 38 10.574 -5.105 -5.420 85 2HH2 ARG 38 HH22 ARG 38 12.181 -4.591 -5.810 86 H GLN 39 HN GLN 39 9.575 -2.682 1.024 87 HA GLN 39 HA GLN 39 11.718 -1.165 2.444 88 1HB GLN 39 HB2 GLN 39 9.838 -2.107 3.811 89 2HB GLN 39 HB1 GLN 39 10.325 -3.722 3.293 90 1HG GLN 39 HG2 GLN 39 12.474 -3.502 4.354 91 2HG GLN 39 HG1 GLN 39 12.201 -1.789 4.676 92 1HE2 GLN 39 HE21 GLN 39 12.288 -1.969 7.000 93 2HE2 GLN 39 HE22 GLN 39 11.107 -2.804 7.889 94 H THR 40 HN THR 40 13.587 -1.559 1.287 95 HA THR 40 HA THR 40 14.299 -4.435 0.872 96 HB THR 40 HB THR 40 13.875 -3.466 -1.309 97 HG1 THR 40 HG1 THR 40 15.601 -4.594 -1.711 98 1HG2 THR 40 HG21 THR 40 15.419 -1.456 -1.941 99 2HG2 THR 40 HG22 THR 40 15.513 -1.202 -0.198 100 3HG2 THR 40 HG23 THR 40 13.951 -1.144 -1.015 101 H SER 41 HN SER 41 16.355 -5.011 1.553 102 HA SER 41 HA SER 41 18.485 -3.115 1.983 103 1HB SER 41 HB2 SER 41 18.326 -3.804 4.612 104 2HB SER 41 HB1 SER 41 17.689 -2.298 3.959 105 HG SER 41 HG SER 41 15.856 -3.029 4.687 106 H GLY 42 HN GLY 42 20.430 -4.217 2.332 107 1HA GLY 42 HA2 GLY 42 21.876 -6.056 2.568 108 2HA GLY 42 HA1 GLY 42 20.557 -6.907 3.375 109 H ARG 43 HN ARG 43 21.729 -8.641 1.914 110 HA ARG 43 HA ARG 43 20.561 -8.587 -0.830 111 1HB ARG 43 HB2 ARG 43 22.186 -10.316 -1.385 112 2HB ARG 43 HB1 ARG 43 23.025 -8.972 -0.609 113 1HG ARG 43 HG2 ARG 43 22.954 -10.172 1.548 114 2HG ARG 43 HG1 ARG 43 22.124 -11.520 0.769 115 1HD ARG 43 HD2 ARG 43 24.053 -11.856 -0.725 116 2HD ARG 43 HD1 ARG 43 24.884 -10.499 0.034 117 HE ARG 43 HE ARG 43 24.193 -12.310 2.096 118 1HH1 ARG 43 HH11 ARG 43 26.553 -11.545 -0.225 119 2HH1 ARG 43 HH12 ARG 43 27.558 -12.913 0.117 120 1HH2 ARG 43 HH21 ARG 43 25.306 -14.350 2.327 121 2HH2 ARG 43 HH22 ARG 43 26.852 -14.501 1.562 122 H LYS 44 HN LYS 44 20.073 -11.031 -1.544 123 HA LYS 44 HA LYS 44 18.737 -12.940 -1.235 124 1HB LYS 44 HB2 LYS 44 20.294 -13.016 0.912 125 2HB LYS 44 HB1 LYS 44 18.796 -12.589 1.739 126 1HG LYS 44 HG2 LYS 44 17.670 -14.522 0.665 127 2HG LYS 44 HG1 LYS 44 19.196 -14.966 -0.101 128 1HD LYS 44 HD2 LYS 44 20.201 -15.038 2.244 129 2HD LYS 44 HD1 LYS 44 18.548 -14.937 2.853 130 1HE LYS 44 HE2 LYS 44 17.936 -16.985 1.713 131 2HE LYS 44 HE1 LYS 44 19.500 -17.049 0.899 132 1HZ LYS 44 HZ1 LYS 44 19.917 -18.420 2.641 133 2HZ LYS 44 HZ2 LYS 44 18.821 -17.641 3.680 134 3HZ LYS 44 HZ3 LYS 44 20.343 -16.951 3.373 135 H GLY 45 HN GLY 45 17.184 -11.103 -2.024 136 1HA GLY 45 HA2 GLY 45 14.692 -11.393 -0.684 137 2HA GLY 45 HA1 GLY 45 15.382 -9.837 -0.218 138 H LYS 46 HN LYS 46 13.007 -10.505 -1.946 139 HA LYS 46 HA LYS 46 13.901 -9.385 -4.554 140 1HB LYS 46 HB2 LYS 46 11.384 -10.770 -3.625 141 2HB LYS 46 HB1 LYS 46 11.432 -9.880 -5.147 142 1HG LYS 46 HG2 LYS 46 13.354 -11.260 -5.882 143 2HG LYS 46 HG1 LYS 46 13.262 -12.172 -4.374 144 1HD LYS 46 HD2 LYS 46 10.975 -12.889 -4.930 145 2HD LYS 46 HD1 LYS 46 11.038 -11.957 -6.426 146 1HE LYS 46 HE2 LYS 46 12.833 -13.338 -7.284 147 2HE LYS 46 HE1 LYS 46 12.974 -14.186 -5.744 148 1HZ LYS 46 HZ1 LYS 46 11.540 -15.110 -7.756 149 2HZ LYS 46 HZ2 LYS 46 10.346 -14.169 -6.998 150 3HZ LYS 46 HZ3 LYS 46 11.132 -15.405 -6.137 151 H GLY 47 HN GLY 47 12.065 -8.606 -1.684 152 1HA GLY 47 HA2 GLY 47 11.889 -6.169 -1.163 153 2HA GLY 47 HA1 GLY 47 11.501 -5.915 -2.866 154 H VAL 48 HN VAL 48 9.910 -5.337 -0.368 155 HA VAL 48 HA VAL 48 7.424 -6.700 -1.279 156 HB VAL 48 HB VAL 48 6.781 -6.838 1.201 157 1HG1 VAL 48 HG11 VAL 48 9.121 -8.626 0.760 158 2HG1 VAL 48 HG12 VAL 48 7.850 -8.665 -0.462 159 3HG1 VAL 48 HG13 VAL 48 7.468 -9.031 1.221 160 1HG2 VAL 48 HG21 VAL 48 8.960 -5.353 1.656 161 2HG2 VAL 48 HG22 VAL 48 9.714 -6.944 1.768 162 3HG2 VAL 48 HG23 VAL 48 8.380 -6.523 2.842 163 H CYS 49 HN CYS 49 5.456 -5.524 -0.505 164 HA CYS 49 HA CYS 49 6.043 -2.606 -0.214 165 1HB CYS 49 HB2 CYS 49 3.693 -4.045 -1.477 166 2HB CYS 49 HB1 CYS 49 3.738 -2.304 -1.198 167 HG CYS 49 HG CYS 49 4.649 -2.841 -3.632 168 H LEU 50 HN LEU 50 5.101 -1.514 1.497 169 HA LEU 50 HA LEU 50 3.165 -3.037 3.185 170 1HB LEU 50 HB2 LEU 50 4.370 -1.872 5.161 171 2HB LEU 50 HB1 LEU 50 5.166 -3.263 4.423 172 HG LEU 50 HG LEU 50 5.761 -0.606 3.226 173 1HD1 LEU 50 HD11 LEU 50 5.942 -0.973 6.032 174 2HD1 LEU 50 HD12 LEU 50 6.615 0.348 5.077 175 3HD1 LEU 50 HD13 LEU 50 7.586 -1.088 5.403 176 1HD2 LEU 50 HD21 LEU 50 7.672 -1.680 2.547 177 2HD2 LEU 50 HD22 LEU 50 6.700 -3.119 2.853 178 3HD2 LEU 50 HD23 LEU 50 7.845 -2.553 4.070 179 H ILE 51 HN ILE 51 1.316 -1.854 3.118 180 HA ILE 51 HA ILE 51 1.427 1.054 2.678 181 HB ILE 51 HB ILE 51 -0.869 -0.898 2.994 182 1HG1 ILE 51 HG12 ILE 51 -1.116 0.211 0.542 183 2HG1 ILE 51 HG11 ILE 51 0.633 0.328 0.736 184 1HG2 ILE 51 HG21 ILE 51 -1.962 1.372 1.946 185 2HG2 ILE 51 HG22 ILE 51 -0.776 2.058 3.056 186 3HG2 ILE 51 HG23 ILE 51 -2.015 0.958 3.659 187 1HD1 ILE 51 HD11 ILE 51 0.921 -1.921 0.583 188 2HD1 ILE 51 HD12 ILE 51 -0.683 -1.912 -0.151 189 3HD1 ILE 51 HD13 ILE 51 -0.502 -2.262 1.568 190 H THR 52 HN THR 52 1.252 2.553 4.289 191 HA THR 52 HA THR 52 0.113 1.720 6.904 192 HB THR 52 HB THR 52 2.079 3.019 7.976 193 HG1 THR 52 HG1 THR 52 3.917 3.106 6.725 194 1HG2 THR 52 HG21 THR 52 1.651 0.459 7.855 195 2HG2 THR 52 HG22 THR 52 3.273 1.015 8.271 196 3HG2 THR 52 HG23 THR 52 2.924 0.460 6.634 197 H GLY 53 HN GLY 53 0.357 3.953 8.356 198 1HA GLY 53 HA2 GLY 53 -0.643 6.061 8.632 199 2HA GLY 53 HA1 GLY 53 0.188 6.475 7.132 200 H VAL 54 HN VAL 54 -2.518 4.251 7.870 201 HA VAL 54 HA VAL 54 -3.963 5.395 5.540 202 HB VAL 54 HB VAL 54 -4.773 3.019 7.232 203 1HG1 VAL 54 HG11 VAL 54 -5.683 2.493 4.778 204 2HG1 VAL 54 HG12 VAL 54 -5.624 4.250 4.645 205 3HG1 VAL 54 HG13 VAL 54 -6.603 3.493 5.902 206 1HG2 VAL 54 HG21 VAL 54 -3.735 1.837 5.087 207 2HG2 VAL 54 HG22 VAL 54 -2.721 2.250 6.469 208 3HG2 VAL 54 HG23 VAL 54 -2.742 3.294 5.048 209 H ASP 55 HN ASP 55 -5.201 7.136 6.077 210 HA ASP 55 HA ASP 55 -6.474 7.221 8.760 211 1HB ASP 55 HB2 ASP 55 -5.997 9.281 6.604 212 2HB ASP 55 HB1 ASP 55 -7.102 9.588 7.944 213 H LEU 56 HN LEU 56 -8.010 5.484 8.090 214 HA LEU 56 HA LEU 56 -10.190 6.558 6.344 215 1HB LEU 56 HB2 LEU 56 -8.895 3.930 6.512 216 2HB LEU 56 HB1 LEU 56 -10.655 3.840 6.580 217 HG LEU 56 HG LEU 56 -9.819 3.751 4.245 218 1HD1 LEU 56 HD11 LEU 56 -11.444 5.210 3.383 219 2HD1 LEU 56 HD12 LEU 56 -11.143 6.429 4.620 220 3HD1 LEU 56 HD13 LEU 56 -12.003 4.947 5.034 221 1HD2 LEU 56 HD21 LEU 56 -8.235 5.176 3.486 222 2HD2 LEU 56 HD22 LEU 56 -8.028 5.692 5.160 223 3HD2 LEU 56 HD23 LEU 56 -9.116 6.579 4.091 224 H ASP 57 HN ASP 57 -12.229 4.852 7.080 225 HA ASP 57 HA ASP 57 -12.741 5.757 9.862 226 1HB ASP 57 HB2 ASP 57 -14.425 5.041 7.511 227 2HB ASP 57 HB1 ASP 57 -15.092 4.686 9.104 228 H ASP 58 HN ASP 58 -13.419 2.798 7.950 229 HA ASP 58 HA ASP 58 -12.110 0.987 9.679 230 1HB ASP 58 HB2 ASP 58 -14.506 2.048 10.820 231 2HB ASP 58 HB1 ASP 58 -14.802 0.357 10.413 232 H ALA 59 HN ALA 59 -15.302 1.246 8.065 233 HA ALA 59 HA ALA 59 -15.085 -1.440 6.965 234 1HB ALA 59 HB1 ALA 59 -17.194 -1.026 5.969 235 2HB ALA 59 HB2 ALA 59 -16.934 0.718 5.947 236 3HB ALA 59 HB3 ALA 59 -17.241 -0.108 7.474 237 H GLU 60 HN GLU 60 -14.089 1.738 5.978 238 HA GLU 60 HA GLU 60 -13.869 1.122 3.143 239 1HB GLU 60 HB2 GLU 60 -13.146 3.374 4.936 240 2HB GLU 60 HB1 GLU 60 -12.153 3.196 3.489 241 1HG GLU 60 HG2 GLU 60 -14.002 4.626 2.907 242 2HG GLU 60 HG1 GLU 60 -14.295 3.060 2.149 243 H LEU 61 HN LEU 61 -11.744 0.914 5.952 244 HA LEU 61 HA LEU 61 -9.307 0.450 4.503 245 1HB LEU 61 HB2 LEU 61 -9.517 1.023 6.971 246 2HB LEU 61 HB1 LEU 61 -10.003 -0.652 7.237 247 HG LEU 61 HG LEU 61 -7.651 -0.623 5.592 248 1HD1 LEU 61 HD11 LEU 61 -6.526 1.159 6.401 249 2HD1 LEU 61 HD12 LEU 61 -6.445 0.297 7.938 250 3HD1 LEU 61 HD13 LEU 61 -7.747 1.449 7.640 251 1HD2 LEU 61 HD21 LEU 61 -6.891 -1.616 8.024 252 2HD2 LEU 61 HD22 LEU 61 -7.775 -2.546 6.815 253 3HD2 LEU 61 HD23 LEU 61 -8.645 -1.763 8.135 254 H THR 62 HN THR 62 -11.752 -1.761 5.863 255 HA THR 62 HA THR 62 -10.395 -4.162 5.020 256 HB THR 62 HB THR 62 -13.317 -3.655 5.658 257 HG1 THR 62 HG1 THR 62 -12.675 -3.833 7.635 258 1HG2 THR 62 HG21 THR 62 -13.665 -5.724 4.841 259 2HG2 THR 62 HG22 THR 62 -12.654 -6.331 6.153 260 3HG2 THR 62 HG23 THR 62 -11.939 -5.973 4.581 261 H LYS 63 HN LYS 63 -12.631 -1.944 3.467 262 HA LYS 63 HA LYS 63 -13.324 -3.691 1.270 263 1HB LYS 63 HB2 LYS 63 -14.540 -1.554 2.031 264 2HB LYS 63 HB1 LYS 63 -13.289 -0.672 1.155 265 1HG LYS 63 HG2 LYS 63 -14.025 -2.587 -0.679 266 2HG LYS 63 HG1 LYS 63 -15.559 -2.229 0.114 267 1HD LYS 63 HD2 LYS 63 -14.422 0.280 -0.235 268 2HD LYS 63 HD1 LYS 63 -13.987 -0.574 -1.716 269 1HE LYS 63 HE2 LYS 63 -16.128 -0.604 -2.458 270 2HE LYS 63 HE1 LYS 63 -16.759 -1.050 -0.873 271 1HZ LYS 63 HZ1 LYS 63 -16.279 1.329 -0.224 272 2HZ LYS 63 HZ2 LYS 63 -17.577 1.086 -1.293 273 3HZ LYS 63 HZ3 LYS 63 -16.085 1.649 -1.878 274 H LEU 64 HN LEU 64 -10.746 -1.335 1.840 275 HA LEU 64 HA LEU 64 -9.751 -1.397 -0.882 276 1HB LEU 64 HB2 LEU 64 -9.244 0.135 1.386 277 2HB LEU 64 HB1 LEU 64 -7.753 -0.780 1.160 278 HG LEU 64 HG LEU 64 -7.635 1.308 -0.110 279 1HD1 LEU 64 HD11 LEU 64 -7.066 0.380 -2.268 280 2HD1 LEU 64 HD12 LEU 64 -8.135 -1.000 -2.010 281 3HD1 LEU 64 HD13 LEU 64 -6.667 -0.829 -1.047 282 1HD2 LEU 64 HD21 LEU 64 -10.349 0.968 -0.445 283 2HD2 LEU 64 HD22 LEU 64 -9.727 0.557 -2.043 284 3HD2 LEU 64 HD23 LEU 64 -9.366 2.131 -1.334 285 H ALA 65 HN ALA 65 -8.369 -2.743 2.144 286 HA ALA 65 HA ALA 65 -6.329 -4.279 1.022 287 1HB ALA 65 HB1 ALA 65 -8.067 -4.632 3.440 288 2HB ALA 65 HB2 ALA 65 -6.330 -4.346 3.347 289 3HB ALA 65 HB3 ALA 65 -6.982 -5.942 2.976 290 H ALA 66 HN ALA 66 -9.750 -5.214 1.438 291 HA ALA 66 HA ALA 66 -9.478 -7.838 0.332 292 1HB ALA 66 HB1 ALA 66 -12.032 -7.202 -0.311 293 2HB ALA 66 HB2 ALA 66 -11.711 -5.966 0.905 294 3HB ALA 66 HB3 ALA 66 -11.540 -7.673 1.316 295 H GLU 67 HN GLU 67 -10.215 -4.695 -1.163 296 HA GLU 67 HA GLU 67 -10.746 -5.644 -3.788 297 1HB GLU 67 HB2 GLU 67 -10.719 -3.186 -2.615 298 2HB GLU 67 HB1 GLU 67 -9.245 -3.099 -3.580 299 1HG GLU 67 HG2 GLU 67 -10.604 -3.921 -5.553 300 2HG GLU 67 HG1 GLU 67 -12.046 -3.706 -4.559 301 H LEU 68 HN LEU 68 -7.705 -5.060 -2.098 302 HA LEU 68 HA LEU 68 -6.103 -5.459 -4.525 303 1HB LEU 68 HB2 LEU 68 -5.404 -5.171 -1.592 304 2HB LEU 68 HB1 LEU 68 -4.191 -5.462 -2.839 305 HG LEU 68 HG LEU 68 -6.086 -3.285 -3.456 306 1HD1 LEU 68 HD11 LEU 68 -5.138 -1.688 -1.914 307 2HD1 LEU 68 HD12 LEU 68 -3.994 -2.882 -1.301 308 3HD1 LEU 68 HD13 LEU 68 -5.717 -3.058 -0.967 309 1HD2 LEU 68 HD21 LEU 68 -4.356 -3.193 -4.939 310 2HD2 LEU 68 HD22 LEU 68 -3.256 -4.042 -3.853 311 3HD2 LEU 68 HD23 LEU 68 -3.534 -2.312 -3.650 312 H LYS 69 HN LYS 69 -7.450 -7.405 -1.992 313 HA LYS 69 HA LYS 69 -5.612 -9.638 -2.279 314 1HB LYS 69 HB2 LYS 69 -7.806 -8.936 -0.588 315 2HB LYS 69 HB1 LYS 69 -8.160 -10.505 -1.311 316 1HG LYS 69 HG2 LYS 69 -5.547 -10.862 -0.685 317 2HG LYS 69 HG1 LYS 69 -6.020 -9.744 0.596 318 1HD LYS 69 HD2 LYS 69 -6.475 -11.899 1.485 319 2HD LYS 69 HD1 LYS 69 -8.046 -11.289 0.962 320 1HE LYS 69 HE2 LYS 69 -6.727 -12.610 -1.240 321 2HE LYS 69 HE1 LYS 69 -6.793 -13.689 0.153 322 1HZ LYS 69 HZ1 LYS 69 -9.220 -12.864 0.302 323 2HZ LYS 69 HZ2 LYS 69 -8.817 -14.048 -0.848 324 3HZ LYS 69 HZ3 LYS 69 -9.005 -12.428 -1.323 325 H LYS 70 HN LYS 70 -8.394 -8.518 -4.014 326 HA LYS 70 HA LYS 70 -9.148 -11.079 -5.142 327 1HB LYS 70 HB2 LYS 70 -9.713 -8.238 -6.030 328 2HB LYS 70 HB1 LYS 70 -10.436 -9.669 -6.768 329 1HG LYS 70 HG2 LYS 70 -10.803 -10.023 -4.011 330 2HG LYS 70 HG1 LYS 70 -11.160 -8.321 -4.300 331 1HD LYS 70 HD2 LYS 70 -12.297 -10.476 -6.078 332 2HD LYS 70 HD1 LYS 70 -13.100 -10.011 -4.577 333 1HE LYS 70 HE2 LYS 70 -14.113 -8.449 -5.894 334 2HE LYS 70 HE1 LYS 70 -12.607 -7.561 -5.664 335 1HZ LYS 70 HZ1 LYS 70 -13.670 -8.499 -8.047 336 2HZ LYS 70 HZ2 LYS 70 -12.295 -9.448 -7.735 337 3HZ LYS 70 HZ3 LYS 70 -12.164 -7.755 -7.809 338 H LYS 71 HN LYS 71 -6.553 -8.931 -5.756 339 HA LYS 71 HA LYS 71 -5.849 -10.533 -8.152 340 1HB LYS 71 HB2 LYS 71 -6.626 -7.705 -8.170 341 2HB LYS 71 HB1 LYS 71 -5.046 -7.991 -8.901 342 1HG LYS 71 HG2 LYS 71 -7.196 -9.903 -9.642 343 2HG LYS 71 HG1 LYS 71 -7.361 -8.264 -10.270 344 1HD LYS 71 HD2 LYS 71 -4.641 -9.398 -10.479 345 2HD LYS 71 HD1 LYS 71 -5.859 -10.210 -11.463 346 1HE LYS 71 HE2 LYS 71 -6.559 -7.765 -12.120 347 2HE LYS 71 HE1 LYS 71 -4.931 -7.355 -11.578 348 1HZ LYS 71 HZ1 LYS 71 -4.755 -7.832 -13.856 349 2HZ LYS 71 HZ2 LYS 71 -5.719 -9.225 -13.735 350 3HZ LYS 71 HZ3 LYS 71 -4.155 -9.210 -13.070 351 H CYS 72 HN CYS 72 -4.793 -10.555 -5.478 352 HA CYS 72 HA CYS 72 -2.184 -9.151 -5.748 353 1HB CYS 72 HB2 CYS 72 -3.882 -9.888 -3.537 354 2HB CYS 72 HB1 CYS 72 -2.290 -10.614 -3.327 355 HG CYS 72 HG CYS 72 -1.795 -8.312 -2.451 356 H GLY 73 HN GLY 73 -3.216 -12.377 -4.573 357 1HA GLY 73 HA2 GLY 73 -2.407 -14.387 -5.829 358 2HA GLY 73 HA1 GLY 73 -0.891 -13.517 -6.072 359 H CYS 74 HN CYS 74 -2.397 -13.106 -3.003 360 HA CYS 74 HA CYS 74 -1.600 -15.283 -1.482 361 1HB CYS 74 HB2 CYS 74 0.698 -13.802 -2.514 362 2HB CYS 74 HB1 CYS 74 0.700 -13.890 -0.753 363 HG CYS 74 HG CYS 74 0.211 -16.562 -2.234 364 H GLY 75 HN GLY 75 -3.311 -14.438 -0.217 365 1HA GLY 75 HA2 GLY 75 -3.521 -11.784 0.751 366 2HA GLY 75 HA1 GLY 75 -4.224 -13.191 1.549 367 H GLY 76 HN GLY 76 -1.659 -10.887 1.624 368 1HA GLY 76 HA2 GLY 76 0.035 -12.365 3.481 369 2HA GLY 76 HA1 GLY 76 0.201 -10.660 3.062 370 H ALA 77 HN ALA 77 0.522 -10.291 5.401 371 HA ALA 77 HA ALA 77 -1.639 -10.852 7.261 372 1HB ALA 77 HB1 ALA 77 0.997 -10.217 7.568 373 2HB ALA 77 HB2 ALA 77 -0.200 -10.079 8.856 374 3HB ALA 77 HB3 ALA 77 0.242 -8.659 7.908 375 H VAL 78 HN VAL 78 -3.185 -9.368 8.067 376 HA VAL 78 HA VAL 78 -3.320 -6.732 6.676 377 HB VAL 78 HB VAL 78 -5.654 -8.633 7.060 378 1HG1 VAL 78 HG11 VAL 78 -6.994 -6.872 6.632 379 2HG1 VAL 78 HG12 VAL 78 -6.032 -6.423 5.223 380 3HG1 VAL 78 HG13 VAL 78 -5.584 -5.829 6.822 381 1HG2 VAL 78 HG21 VAL 78 -4.117 -9.360 5.270 382 2HG2 VAL 78 HG22 VAL 78 -4.182 -7.749 4.555 383 3HG2 VAL 78 HG23 VAL 78 -5.628 -8.759 4.587 384 H LYS 79 HN LYS 79 -2.721 -5.641 8.586 385 HA LYS 79 HA LYS 79 -4.521 -6.016 10.939 386 1HB LYS 79 HB2 LYS 79 -1.724 -5.808 10.758 387 2HB LYS 79 HB1 LYS 79 -2.259 -4.253 11.397 388 1HG LYS 79 HG2 LYS 79 -3.767 -5.717 12.965 389 2HG LYS 79 HG1 LYS 79 -2.624 -6.999 12.562 390 1HD LYS 79 HD2 LYS 79 -1.170 -4.590 13.170 391 2HD LYS 79 HD1 LYS 79 -2.295 -4.940 14.483 392 1HE LYS 79 HE2 LYS 79 -1.053 -6.686 15.177 393 2HE LYS 79 HE1 LYS 79 -1.010 -7.369 13.552 394 1HZ LYS 79 HZ1 LYS 79 0.750 -5.208 14.578 395 2HZ LYS 79 HZ2 LYS 79 0.779 -5.835 12.999 396 3HZ LYS 79 HZ3 LYS 79 1.206 -6.820 14.316 397 H ASP 80 HN ASP 80 -5.322 -4.055 11.994 398 HA ASP 80 HA ASP 80 -6.222 -2.070 10.088 399 1HB ASP 80 HB2 ASP 80 -6.337 -1.609 13.051 400 2HB ASP 80 HB1 ASP 80 -7.544 -1.246 11.817 401 H GLY 81 HN GLY 81 -4.577 -0.814 9.244 402 1HA GLY 81 HA2 GLY 81 -3.513 1.408 9.727 403 2HA GLY 81 HA1 GLY 81 -2.918 0.694 11.226 404 H VAL 82 HN VAL 82 -2.607 -1.844 9.348 405 HA VAL 82 HA VAL 82 -0.242 -1.028 7.788 406 HB VAL 82 HB VAL 82 0.090 -3.181 9.879 407 1HG1 VAL 82 HG11 VAL 82 1.709 -1.911 7.795 408 2HG1 VAL 82 HG12 VAL 82 1.975 -3.429 8.652 409 3HG1 VAL 82 HG13 VAL 82 2.503 -1.907 9.370 410 1HG2 VAL 82 HG21 VAL 82 1.248 -1.470 11.263 411 2HG2 VAL 82 HG22 VAL 82 -0.466 -1.103 11.069 412 3HG2 VAL 82 HG23 VAL 82 0.736 -0.224 10.124 413 H ILE 83 HN ILE 83 -0.546 -2.090 5.889 414 HA ILE 83 HA ILE 83 -1.653 -4.868 6.024 415 HB ILE 83 HB ILE 83 -2.103 -2.765 3.884 416 1HG1 ILE 83 HG12 ILE 83 -4.306 -4.068 5.420 417 2HG1 ILE 83 HG11 ILE 83 -3.342 -2.858 6.268 418 1HG2 ILE 83 HG21 ILE 83 -3.760 -5.171 3.834 419 2HG2 ILE 83 HG22 ILE 83 -2.049 -5.536 3.610 420 3HG2 ILE 83 HG23 ILE 83 -2.859 -4.405 2.525 421 1HD1 ILE 83 HD11 ILE 83 -5.467 -2.148 4.837 422 2HD1 ILE 83 HD12 ILE 83 -4.307 -2.215 3.510 423 3HD1 ILE 83 HD13 ILE 83 -4.022 -1.137 4.877 424 H GLU 84 HN GLU 84 -0.244 -6.363 5.266 425 HA GLU 84 HA GLU 84 2.111 -5.453 3.719 426 1HB GLU 84 HB2 GLU 84 1.622 -7.506 5.637 427 2HB GLU 84 HB1 GLU 84 2.078 -8.292 4.124 428 1HG GLU 84 HG2 GLU 84 3.973 -6.503 4.040 429 2HG GLU 84 HG1 GLU 84 3.643 -6.308 5.762 430 H ILE 85 HN ILE 85 2.394 -5.937 1.560 431 HA ILE 85 HA ILE 85 0.415 -7.787 0.300 432 HB ILE 85 HB ILE 85 1.213 -5.006 -0.582 433 1HG1 ILE 85 HG12 ILE 85 -0.767 -5.416 0.960 434 2HG1 ILE 85 HG11 ILE 85 -1.159 -4.602 -0.555 435 1HG2 ILE 85 HG21 ILE 85 -0.128 -7.200 -2.193 436 2HG2 ILE 85 HG22 ILE 85 1.434 -6.455 -2.535 437 3HG2 ILE 85 HG23 ILE 85 -0.047 -5.508 -2.682 438 1HD1 ILE 85 HD11 ILE 85 -2.472 -6.811 0.361 439 2HD1 ILE 85 HD12 ILE 85 -1.247 -7.555 -0.667 440 3HD1 ILE 85 HD13 ILE 85 -2.364 -6.369 -1.343 441 H GLN 86 HN GLN 86 1.928 -9.451 0.031 442 HA GLN 86 HA GLN 86 4.625 -9.164 -0.776 443 1HB GLN 86 HB2 GLN 86 2.805 -11.301 -0.352 444 2HB GLN 86 HB1 GLN 86 3.494 -11.532 -1.959 445 1HG GLN 86 HG2 GLN 86 5.777 -11.137 -0.914 446 2HG GLN 86 HG1 GLN 86 4.984 -11.236 0.658 447 1HE2 GLN 86 HE21 GLN 86 6.887 -13.184 0.132 448 2HE2 GLN 86 HE22 GLN 86 6.137 -14.676 -0.177 449 H GLY 87 HN GLY 87 5.566 -8.747 -2.741 450 1HA GLY 87 HA2 GLY 87 5.063 -9.340 -5.281 451 2HA GLY 87 HA1 GLY 87 3.739 -8.203 -5.016 452 H ASP 88 HN ASP 88 5.462 -7.453 -6.931 453 HA ASP 88 HA ASP 88 6.927 -5.207 -5.639 454 1HB ASP 88 HB2 ASP 88 8.136 -6.727 -7.950 455 2HB ASP 88 HB1 ASP 88 8.924 -5.596 -6.848 456 H LYS 89 HN LYS 89 5.013 -4.023 -6.433 457 HA LYS 89 HA LYS 89 5.395 -3.199 -9.256 458 1HB LYS 89 HB2 LYS 89 3.006 -3.387 -9.754 459 2HB LYS 89 HB1 LYS 89 3.633 -4.963 -9.265 460 1HG LYS 89 HG2 LYS 89 2.914 -4.037 -6.846 461 2HG LYS 89 HG1 LYS 89 1.759 -3.142 -7.835 462 1HD LYS 89 HD2 LYS 89 1.095 -5.299 -8.921 463 2HD LYS 89 HD1 LYS 89 2.153 -6.148 -7.793 464 1HE LYS 89 HE2 LYS 89 0.790 -4.774 -5.984 465 2HE LYS 89 HE1 LYS 89 -0.425 -4.716 -7.261 466 1HZ LYS 89 HZ1 LYS 89 0.200 -6.847 -5.553 467 2HZ LYS 89 HZ2 LYS 89 0.582 -7.318 -7.140 468 3HZ LYS 89 HZ3 LYS 89 -0.986 -6.782 -6.764 469 H ARG 90 HN ARG 90 6.186 -1.715 -7.090 470 HA ARG 90 HA ARG 90 4.390 -0.017 -5.805 471 1HB ARG 90 HB2 ARG 90 6.203 1.697 -5.853 472 2HB ARG 90 HB1 ARG 90 6.798 0.101 -5.395 473 1HG ARG 90 HG2 ARG 90 7.289 -0.214 -7.920 474 2HG ARG 90 HG1 ARG 90 7.117 1.538 -8.026 475 1HD ARG 90 HD2 ARG 90 8.751 1.309 -5.849 476 2HD ARG 90 HD1 ARG 90 9.278 -0.072 -6.812 477 HE ARG 90 HE ARG 90 9.141 2.104 -8.587 478 1HH1 ARG 90 HH21 ARG 90 11.492 0.361 -7.274 479 2HH1 ARG 90 HH22 ARG 90 12.597 1.650 -6.931 480 1HH2 ARG 90 HH11 ARG 90 10.258 4.153 -7.465 481 2HH2 ARG 90 HH12 ARG 90 11.899 3.797 -7.039 482 H ASP 91 HN ASP 91 5.533 0.160 -9.157 483 HA ASP 91 HA ASP 91 4.474 2.689 -9.851 484 1HB ASP 91 HB2 ASP 91 4.652 0.174 -11.539 485 2HB ASP 91 HB1 ASP 91 4.374 1.797 -12.171 486 H LEU 92 HN LEU 92 2.901 -0.521 -10.047 487 HA LEU 92 HA LEU 92 0.382 0.422 -10.978 488 1HB LEU 92 HB2 LEU 92 1.450 -2.046 -10.371 489 2HB LEU 92 HB1 LEU 92 0.244 -1.839 -9.100 490 HG LEU 92 HG LEU 92 -0.690 -2.923 -11.148 491 1HD1 LEU 92 HD11 LEU 92 -2.312 -1.815 -9.839 492 2HD1 LEU 92 HD12 LEU 92 -2.560 -1.149 -11.453 493 3HD1 LEU 92 HD13 LEU 92 -1.676 -0.220 -10.242 494 1HD2 LEU 92 HD21 LEU 92 -0.609 -1.931 -13.232 495 2HD2 LEU 92 HD22 LEU 92 0.885 -1.276 -12.562 496 3HD2 LEU 92 HD23 LEU 92 -0.582 -0.297 -12.569 497 H LEU 93 HN LEU 93 1.594 -0.075 -7.660 498 HA LEU 93 HA LEU 93 -0.779 0.576 -6.267 499 1HB LEU 93 HB2 LEU 93 2.140 0.710 -5.645 500 2HB LEU 93 HB1 LEU 93 1.035 1.568 -4.571 501 HG LEU 93 HG LEU 93 1.453 -0.777 -3.832 502 1HD1 LEU 93 HD11 LEU 93 -1.282 -1.235 -4.401 503 2HD1 LEU 93 HD12 LEU 93 -1.088 0.514 -4.283 504 3HD1 LEU 93 HD13 LEU 93 -0.598 -0.520 -2.941 505 1HD2 LEU 93 HD21 LEU 93 -0.147 -1.643 -6.240 506 2HD2 LEU 93 HD22 LEU 93 0.831 -2.632 -5.155 507 3HD2 LEU 93 HD23 LEU 93 1.613 -1.551 -6.308 508 H LYS 94 HN LYS 94 1.653 2.670 -7.751 509 HA LYS 94 HA LYS 94 0.790 5.140 -6.624 510 1HB LYS 94 HB2 LYS 94 2.890 4.761 -7.986 511 2HB LYS 94 HB1 LYS 94 1.872 4.746 -9.426 512 1HG LYS 94 HG2 LYS 94 1.130 7.007 -9.011 513 2HG LYS 94 HG1 LYS 94 1.926 7.030 -7.437 514 1HD LYS 94 HD2 LYS 94 4.069 7.141 -8.374 515 2HD LYS 94 HD1 LYS 94 3.531 6.484 -9.921 516 1HE LYS 94 HE2 LYS 94 2.330 8.543 -10.428 517 2HE LYS 94 HE1 LYS 94 2.725 9.199 -8.839 518 1HZ LYS 94 HZ1 LYS 94 4.250 9.300 -11.183 519 2HZ LYS 94 HZ2 LYS 94 5.098 8.358 -10.051 520 3HZ LYS 94 HZ3 LYS 94 4.624 9.941 -9.658 521 H SER 95 HN SER 95 0.036 3.886 -9.900 522 HA SER 95 HA SER 95 -2.068 5.762 -10.375 523 1HB SER 95 HB2 SER 95 -2.226 3.060 -11.625 524 2HB SER 95 HB1 SER 95 -2.380 4.650 -12.367 525 HG SER 95 HG SER 95 -0.401 3.520 -12.873 526 H LEU 96 HN LEU 96 -1.928 3.025 -8.341 527 HA LEU 96 HA LEU 96 -4.723 2.268 -8.476 528 1HB LEU 96 HB2 LEU 96 -3.171 0.648 -7.613 529 2HB LEU 96 HB1 LEU 96 -2.559 1.787 -6.413 530 HG LEU 96 HG LEU 96 -5.485 1.209 -6.380 531 1HD1 LEU 96 HD11 LEU 96 -4.406 -1.023 -6.665 532 2HD1 LEU 96 HD12 LEU 96 -5.163 -0.836 -5.083 533 3HD1 LEU 96 HD13 LEU 96 -3.413 -0.694 -5.245 534 1HD2 LEU 96 HD21 LEU 96 -4.566 1.095 -3.825 535 2HD2 LEU 96 HD22 LEU 96 -5.006 2.603 -4.626 536 3HD2 LEU 96 HD23 LEU 96 -3.317 2.102 -4.558 537 H LEU 97 HN LEU 97 -2.896 3.906 -5.858 538 HA LEU 97 HA LEU 97 -5.225 4.802 -4.474 539 1HB LEU 97 HB2 LEU 97 -2.441 4.969 -4.110 540 2HB LEU 97 HB1 LEU 97 -3.001 6.641 -4.179 541 HG LEU 97 HG LEU 97 -4.903 5.259 -2.619 542 1HD1 LEU 97 HD11 LEU 97 -3.821 3.674 -1.441 543 2HD1 LEU 97 HD12 LEU 97 -2.538 4.808 -1.022 544 3HD1 LEU 97 HD13 LEU 97 -2.439 3.878 -2.517 545 1HD2 LEU 97 HD21 LEU 97 -4.362 6.891 -1.028 546 2HD2 LEU 97 HD22 LEU 97 -3.800 7.641 -2.521 547 3HD2 LEU 97 HD23 LEU 97 -2.647 6.862 -1.438 548 H GLU 98 HN GLU 98 -3.402 6.173 -7.157 549 HA GLU 98 HA GLU 98 -4.663 8.777 -7.051 550 1HB GLU 98 HB2 GLU 98 -2.487 7.903 -8.325 551 2HB GLU 98 HB1 GLU 98 -3.648 7.662 -9.632 552 1HG GLU 98 HG2 GLU 98 -3.645 9.866 -10.074 553 2HG GLU 98 HG1 GLU 98 -4.142 10.216 -8.418 554 H ALA 99 HN ALA 99 -5.541 5.675 -8.382 555 HA ALA 99 HA ALA 99 -7.499 6.628 -10.271 556 1HB ALA 99 HB1 ALA 99 -6.618 4.346 -10.406 557 2HB ALA 99 HB2 ALA 99 -8.366 4.296 -10.176 558 3HB ALA 99 HB3 ALA 99 -7.289 3.973 -8.818 559 H LYS 100 HN LYS 100 -7.516 6.101 -6.816 560 HA LYS 100 HA LYS 100 -10.451 6.253 -6.645 561 1HB LYS 100 HB2 LYS 100 -8.491 5.172 -5.016 562 2HB LYS 100 HB1 LYS 100 -8.943 6.646 -4.159 563 1HG LYS 100 HG2 LYS 100 -10.877 5.715 -3.489 564 2HG LYS 100 HG1 LYS 100 -11.314 5.346 -5.158 565 1HD LYS 100 HD2 LYS 100 -9.886 3.306 -5.045 566 2HD LYS 100 HD1 LYS 100 -9.569 3.654 -3.345 567 1HE LYS 100 HE2 LYS 100 -11.380 2.056 -3.440 568 2HE LYS 100 HE1 LYS 100 -12.059 3.609 -2.954 569 1HZ LYS 100 HZ1 LYS 100 -13.401 2.583 -4.667 570 2HZ LYS 100 HZ2 LYS 100 -12.059 2.492 -5.706 571 3HZ LYS 100 HZ3 LYS 100 -12.689 4.005 -5.258 572 H GLY 101 HN GLY 101 -7.643 8.322 -5.967 573 1HA GLY 101 HA2 GLY 101 -7.990 10.756 -6.482 574 2HA GLY 101 HA1 GLY 101 -9.553 10.609 -5.676 575 H MET 102 HN MET 102 -7.073 8.787 -4.199 576 HA MET 102 HA MET 102 -7.019 10.727 -1.952 577 1HB MET 102 HB2 MET 102 -6.068 7.850 -2.126 578 2HB MET 102 HB1 MET 102 -6.043 8.841 -0.667 579 1HG MET 102 HG2 MET 102 -8.302 8.682 -0.357 580 2HG MET 102 HG1 MET 102 -8.643 8.709 -2.087 581 1HE MET 102 HE1 MET 102 -6.888 7.080 0.613 582 2HE MET 102 HE2 MET 102 -6.150 5.752 -0.279 583 3HE MET 102 HE3 MET 102 -7.548 5.445 0.748 584 H LYS 103 HN LYS 103 -4.970 11.346 -0.997 585 HA LYS 103 HA LYS 103 -2.872 11.725 -3.007 586 1HB LYS 103 HB2 LYS 103 -3.615 12.896 -0.448 587 2HB LYS 103 HB1 LYS 103 -1.884 12.565 -0.524 588 1HG LYS 103 HG2 LYS 103 -2.075 14.722 -1.462 589 2HG LYS 103 HG1 LYS 103 -1.986 13.663 -2.870 590 1HD LYS 103 HD2 LYS 103 -4.354 13.763 -3.210 591 2HD LYS 103 HD1 LYS 103 -4.612 14.529 -1.643 592 1HE LYS 103 HE2 LYS 103 -3.257 16.486 -2.449 593 2HE LYS 103 HE1 LYS 103 -3.209 15.735 -4.044 594 1HZ LYS 103 HZ1 LYS 103 -5.092 16.876 -4.362 595 2HZ LYS 103 HZ2 LYS 103 -5.383 17.084 -2.701 596 3HZ LYS 103 HZ3 LYS 103 -5.823 15.634 -3.468 597 H VAL 104 HN VAL 104 -1.328 10.209 -3.350 598 HA VAL 104 HA VAL 104 -0.584 8.431 -1.061 599 HB VAL 104 HB VAL 104 -1.666 7.291 -3.017 600 1HG1 VAL 104 HG11 VAL 104 -0.168 9.036 -4.519 601 2HG1 VAL 104 HG12 VAL 104 -0.928 7.575 -5.149 602 3HG1 VAL 104 HG13 VAL 104 0.767 7.548 -4.662 603 1HG2 VAL 104 HG21 VAL 104 1.237 6.697 -2.385 604 2HG2 VAL 104 HG22 VAL 104 0.218 5.610 -3.328 605 3HG2 VAL 104 HG23 VAL 104 -0.192 5.970 -1.651 606 H LYS 105 HN LYS 105 1.557 8.399 -0.469 607 HA LYS 105 HA LYS 105 3.392 10.162 -2.019 608 1HB LYS 105 HB2 LYS 105 2.908 10.361 0.563 609 2HB LYS 105 HB1 LYS 105 4.053 9.024 0.682 610 1HG LYS 105 HG2 LYS 105 5.717 10.349 -0.590 611 2HG LYS 105 HG1 LYS 105 4.577 11.695 -0.657 612 1HD LYS 105 HD2 LYS 105 4.535 11.750 1.830 613 2HD LYS 105 HD1 LYS 105 5.744 10.466 1.858 614 1HE LYS 105 HE2 LYS 105 7.277 11.930 0.542 615 2HE LYS 105 HE1 LYS 105 6.084 13.224 0.646 616 1HZ LYS 105 HZ1 LYS 105 6.442 13.509 2.866 617 2HZ LYS 105 HZ2 LYS 105 7.999 13.022 2.391 618 3HZ LYS 105 HZ3 LYS 105 6.942 11.909 3.120 619 H LEU 106 HN LEU 106 4.194 8.779 -3.615 620 HA LEU 106 HA LEU 106 4.784 6.071 -3.486 621 1HB LEU 106 HB2 LEU 106 5.077 7.586 -5.491 622 2HB LEU 106 HB1 LEU 106 6.610 8.106 -4.791 623 HG LEU 106 HG LEU 106 7.464 5.829 -4.844 624 1HD1 LEU 106 HD11 LEU 106 5.884 4.167 -6.161 625 2HD1 LEU 106 HD12 LEU 106 4.612 5.223 -5.548 626 3HD1 LEU 106 HD13 LEU 106 5.684 4.390 -4.423 627 1HD2 LEU 106 HD21 LEU 106 6.765 7.359 -7.129 628 2HD2 LEU 106 HD22 LEU 106 6.445 5.673 -7.537 629 3HD2 LEU 106 HD23 LEU 106 8.051 6.160 -6.995 630 H ALA 107 HN ALA 107 6.564 8.727 -2.027 631 HA ALA 107 HA ALA 107 8.319 8.704 -0.470 632 1HB ALA 107 HB1 ALA 107 6.741 6.444 0.086 633 2HB ALA 107 HB2 ALA 107 7.949 7.174 1.144 634 3HB ALA 107 HB3 ALA 107 8.403 5.854 0.067 635 H GLY 108 HN GLY 108 10.461 7.246 -0.013 636 1HA GLY 108 HA2 GLY 108 11.752 5.546 -1.635 637 2HA GLY 108 HA1 GLY 108 11.704 6.964 -2.683 638 H GLY 109 HN GLY 109 13.856 7.578 -2.651 639 1HA GLY 109 HA2 GLY 109 15.725 7.413 -0.612 640 2HA GLY 109 HA1 GLY 109 15.705 8.747 -1.766 641 H LEU 110 HN LEU 110 15.920 8.306 1.394 642 HA LEU 110 HA LEU 110 15.033 10.951 2.072 643 1HB LEU 110 HB2 LEU 110 12.801 9.910 1.905 644 2HB LEU 110 HB1 LEU 110 13.291 8.672 3.063 645 HG LEU 110 HG LEU 110 13.810 11.389 4.024 646 1HD1 LEU 110 HD11 LEU 110 11.610 12.189 4.206 647 2HD1 LEU 110 HD12 LEU 110 10.907 10.606 3.874 648 3HD1 LEU 110 HD13 LEU 110 11.646 11.533 2.569 649 1HD2 LEU 110 HD21 LEU 110 13.907 9.809 5.706 650 2HD2 LEU 110 HD22 LEU 110 12.661 8.800 4.971 651 3HD2 LEU 110 HD23 LEU 110 12.207 10.258 5.852 652 H GLU 111 HN GLU 111 16.519 11.473 3.594 653 HA GLU 111 HA GLU 111 17.178 9.426 5.669 654 1HB GLU 111 HB2 GLU 111 19.540 10.400 5.598 655 2HB GLU 111 HB1 GLU 111 19.076 9.412 4.212 656 1HG GLU 111 HG2 GLU 111 18.572 11.397 2.901 657 2HG GLU 111 HG1 GLU 111 18.869 12.435 4.296 Start of MODEL 18 1 HA LYS 29 HA LYS 29 -8.413 15.686 8.427 2 1HB LYS 29 HB2 LYS 29 -9.241 16.880 10.600 3 2HB LYS 29 HB1 LYS 29 -9.396 18.297 9.560 4 1HG LYS 29 HG2 LYS 29 -10.728 16.809 7.965 5 2HG LYS 29 HG1 LYS 29 -10.784 15.626 9.273 6 1HD LYS 29 HD2 LYS 29 -11.806 17.344 10.752 7 2HD LYS 29 HD1 LYS 29 -11.812 18.477 9.400 8 1HE LYS 29 HE2 LYS 29 -13.354 17.138 8.160 9 2HE LYS 29 HE1 LYS 29 -13.150 15.768 9.252 10 1HZ LYS 29 HZ1 LYS 29 -14.394 16.762 10.882 11 2HZ LYS 29 HZ2 LYS 29 -15.192 17.326 9.492 12 3HZ LYS 29 HZ3 LYS 29 -14.103 18.335 10.319 13 H GLY 30 HN GLY 30 -7.046 16.194 6.512 14 1HA GLY 30 HA2 GLY 30 -8.260 18.079 4.777 15 2HA GLY 30 HA1 GLY 30 -6.806 18.829 5.437 16 H ASP 31 HN ASP 31 -4.779 17.417 5.270 17 HA ASP 31 HA ASP 31 -4.679 16.307 2.526 18 1HB ASP 31 HB2 ASP 31 -2.928 17.885 3.982 19 2HB ASP 31 HB1 ASP 31 -2.189 16.287 4.075 20 H GLY 32 HN GLY 32 -3.912 14.174 2.106 21 1HA GLY 32 HA2 GLY 32 -3.893 12.375 4.499 22 2HA GLY 32 HA1 GLY 32 -4.667 11.914 2.982 23 H VAL 33 HN VAL 33 -2.331 10.716 4.481 24 HA VAL 33 HA VAL 33 -0.449 10.704 2.161 25 HB VAL 33 HB VAL 33 1.450 10.625 3.683 26 1HG1 VAL 33 HG11 VAL 33 1.482 12.878 4.014 27 2HG1 VAL 33 HG12 VAL 33 -0.011 12.857 4.953 28 3HG1 VAL 33 HG13 VAL 33 -0.077 12.842 3.191 29 1HG2 VAL 33 HG21 VAL 33 0.532 11.269 6.193 30 2HG2 VAL 33 HG22 VAL 33 0.986 9.643 5.684 31 3HG2 VAL 33 HG23 VAL 33 -0.705 10.141 5.639 32 H VAL 34 HN VAL 34 0.217 8.659 1.559 33 HA VAL 34 HA VAL 34 -0.873 6.399 3.177 34 HB VAL 34 HB VAL 34 -0.017 6.476 0.266 35 1HG1 VAL 34 HG11 VAL 34 -1.128 4.319 2.063 36 2HG1 VAL 34 HG12 VAL 34 0.282 4.248 1.006 37 3HG1 VAL 34 HG13 VAL 34 -1.339 4.253 0.313 38 1HG2 VAL 34 HG21 VAL 34 -2.037 7.713 0.430 39 2HG2 VAL 34 HG22 VAL 34 -2.693 6.635 1.662 40 3HG2 VAL 34 HG23 VAL 34 -2.556 6.086 -0.008 41 H ARG 35 HN ARG 35 0.514 4.419 3.239 42 HA ARG 35 HA ARG 35 3.422 5.025 2.961 43 1HB ARG 35 HB2 ARG 35 2.035 4.829 5.418 44 2HB ARG 35 HB1 ARG 35 2.939 3.324 5.245 45 1HG ARG 35 HG2 ARG 35 4.964 4.736 4.650 46 2HG ARG 35 HG1 ARG 35 4.028 6.146 5.146 47 1HD ARG 35 HD2 ARG 35 3.645 4.972 7.366 48 2HD ARG 35 HD1 ARG 35 4.841 3.782 6.853 49 HE ARG 35 HE ARG 35 6.113 6.232 6.510 50 1HH1 ARG 35 HH11 ARG 35 5.495 3.932 8.879 51 2HH1 ARG 35 HH12 ARG 35 6.017 4.908 10.211 52 1HH2 ARG 35 HH21 ARG 35 6.370 7.785 8.308 53 2HH2 ARG 35 HH22 ARG 35 6.512 7.090 9.888 54 H ILE 36 HN ILE 36 3.994 3.573 1.396 55 HA ILE 36 HA ILE 36 3.006 0.765 1.704 56 HB ILE 36 HB ILE 36 3.757 2.336 -0.774 57 1HG1 ILE 36 HG12 ILE 36 1.281 0.839 -0.835 58 2HG1 ILE 36 HG11 ILE 36 1.322 1.885 0.585 59 1HG2 ILE 36 HG21 ILE 36 4.707 0.101 -0.984 60 2HG2 ILE 36 HG22 ILE 36 3.266 0.208 -1.996 61 3HG2 ILE 36 HG23 ILE 36 3.194 -0.626 -0.444 62 1HD1 ILE 36 HD11 ILE 36 0.709 3.562 -0.799 63 2HD1 ILE 36 HD12 ILE 36 1.060 2.602 -2.236 64 3HD1 ILE 36 HD13 ILE 36 2.353 3.495 -1.434 65 H GLN 37 HN GLN 37 4.562 -0.732 2.125 66 HA GLN 37 HA GLN 37 7.296 -0.377 1.109 67 1HB GLN 37 HB2 GLN 37 8.244 -0.678 3.460 68 2HB GLN 37 HB1 GLN 37 7.550 0.906 3.115 69 1HG GLN 37 HG2 GLN 37 5.338 -0.330 4.019 70 2HG GLN 37 HG1 GLN 37 6.552 -1.250 4.910 71 1HE2 GLN 37 HE21 GLN 37 7.812 -0.124 6.531 72 2HE2 GLN 37 HE22 GLN 37 7.424 1.448 7.041 73 H ARG 38 HN ARG 38 8.536 -2.354 1.303 74 HA ARG 38 HA ARG 38 6.801 -4.731 1.800 75 1HB ARG 38 HB2 ARG 38 8.454 -5.949 0.388 76 2HB ARG 38 HB1 ARG 38 7.707 -4.602 -0.471 77 1HG ARG 38 HG2 ARG 38 9.734 -3.699 -0.829 78 2HG ARG 38 HG1 ARG 38 9.999 -3.602 0.913 79 1HD ARG 38 HD2 ARG 38 11.413 -5.361 0.885 80 2HD ARG 38 HD1 ARG 38 10.294 -6.329 -0.076 81 HE ARG 38 HE ARG 38 11.230 -4.875 -2.049 82 1HH1 ARG 38 HH21 ARG 38 12.803 -7.338 -1.274 83 2HH1 ARG 38 HH22 ARG 38 14.406 -6.698 -1.133 84 1HH2 ARG 38 HH11 ARG 38 13.360 -3.396 -0.985 85 2HH2 ARG 38 HH12 ARG 38 14.721 -4.466 -0.969 86 H GLN 39 HN GLN 39 7.509 -6.351 3.213 87 HA GLN 39 HA GLN 39 9.897 -5.630 4.859 88 1HB GLN 39 HB2 GLN 39 7.411 -5.946 5.789 89 2HB GLN 39 HB1 GLN 39 7.896 -7.642 5.794 90 1HG GLN 39 HG2 GLN 39 9.925 -7.030 7.101 91 2HG GLN 39 HG1 GLN 39 9.356 -5.361 7.158 92 1HE2 GLN 39 HE21 GLN 39 9.661 -6.533 9.617 93 2HE2 GLN 39 HE22 GLN 39 8.158 -6.955 10.286 94 H THR 40 HN THR 40 11.075 -6.728 2.965 95 HA THR 40 HA THR 40 10.835 -9.489 2.395 96 HB THR 40 HB THR 40 12.258 -8.069 1.034 97 HG1 THR 40 HG1 THR 40 13.861 -9.492 0.816 98 1HG2 THR 40 HG21 THR 40 13.129 -7.114 3.559 99 2HG2 THR 40 HG22 THR 40 13.599 -6.526 1.964 100 3HG2 THR 40 HG23 THR 40 14.543 -7.791 2.752 101 H SER 41 HN SER 41 11.990 -11.320 3.244 102 HA SER 41 HA SER 41 13.507 -10.972 5.747 103 1HB SER 41 HB2 SER 41 10.714 -11.894 5.655 104 2HB SER 41 HB1 SER 41 11.795 -12.989 6.511 105 HG SER 41 HG SER 41 10.924 -11.328 7.856 106 H GLY 42 HN GLY 42 14.690 -11.829 3.531 107 1HA GLY 42 HA2 GLY 42 15.976 -14.169 3.991 108 2HA GLY 42 HA1 GLY 42 14.473 -14.755 3.276 109 H ARG 43 HN ARG 43 16.937 -15.182 2.000 110 HA ARG 43 HA ARG 43 17.261 -13.128 -0.077 111 1HB ARG 43 HB2 ARG 43 18.500 -15.892 0.053 112 2HB ARG 43 HB1 ARG 43 19.058 -14.520 -0.905 113 1HG ARG 43 HG2 ARG 43 19.795 -13.335 0.997 114 2HG ARG 43 HG1 ARG 43 18.831 -14.323 2.095 115 1HD ARG 43 HD2 ARG 43 21.377 -14.786 1.990 116 2HD ARG 43 HD1 ARG 43 20.289 -16.171 1.903 117 HE ARG 43 HE ARG 43 20.924 -16.478 -0.367 118 1HH1 ARG 43 HH21 ARG 43 23.065 -14.460 1.163 119 2HH1 ARG 43 HH22 ARG 43 23.648 -13.674 -0.266 120 1HH2 ARG 43 HH11 ARG 43 21.225 -15.047 -2.331 121 2HH2 ARG 43 HH12 ARG 43 22.606 -14.006 -2.244 122 H LYS 44 HN LYS 44 15.784 -13.059 -1.701 123 HA LYS 44 HA LYS 44 14.177 -13.793 -3.257 124 1HB LYS 44 HB2 LYS 44 16.378 -14.592 -4.229 125 2HB LYS 44 HB1 LYS 44 16.044 -16.166 -3.507 126 1HG LYS 44 HG2 LYS 44 13.903 -16.269 -4.758 127 2HG LYS 44 HG1 LYS 44 14.288 -14.723 -5.515 128 1HD LYS 44 HD2 LYS 44 16.377 -15.735 -6.433 129 2HD LYS 44 HD1 LYS 44 15.883 -17.289 -5.760 130 1HE LYS 44 HE2 LYS 44 13.746 -17.095 -7.086 131 2HE LYS 44 HE1 LYS 44 14.432 -15.672 -7.871 132 1HZ LYS 44 HZ1 LYS 44 16.078 -16.920 -8.884 133 2HZ LYS 44 HZ2 LYS 44 14.724 -17.942 -8.988 134 3HZ LYS 44 HZ3 LYS 44 15.915 -18.220 -7.808 135 H GLY 45 HN GLY 45 12.962 -14.242 -1.038 136 1HA GLY 45 HA2 GLY 45 12.237 -17.147 -0.985 137 2HA GLY 45 HA1 GLY 45 12.171 -16.108 0.439 138 H LYS 46 HN LYS 46 10.843 -13.916 -0.282 139 HA LYS 46 HA LYS 46 8.610 -14.298 -2.045 140 1HB LYS 46 HB2 LYS 46 8.369 -15.670 0.400 141 2HB LYS 46 HB1 LYS 46 7.374 -14.224 0.577 142 1HG LYS 46 HG2 LYS 46 6.176 -14.743 -1.481 143 2HG LYS 46 HG1 LYS 46 7.229 -16.126 -1.780 144 1HD LYS 46 HD2 LYS 46 6.387 -17.293 0.139 145 2HD LYS 46 HD1 LYS 46 5.538 -15.859 0.715 146 1HE LYS 46 HE2 LYS 46 4.149 -15.921 -1.379 147 2HE LYS 46 HE1 LYS 46 4.915 -17.458 -1.783 148 1HZ LYS 46 HZ1 LYS 46 4.101 -18.369 0.302 149 2HZ LYS 46 HZ2 LYS 46 2.814 -17.795 -0.647 150 3HZ LYS 46 HZ3 LYS 46 3.361 -16.892 0.684 151 H GLY 47 HN GLY 47 7.821 -12.278 -2.474 152 1HA GLY 47 HA2 GLY 47 8.697 -10.070 -0.694 153 2HA GLY 47 HA1 GLY 47 8.112 -9.884 -2.347 154 H VAL 48 HN VAL 48 7.267 -9.217 0.731 155 HA VAL 48 HA VAL 48 4.350 -9.522 0.134 156 HB VAL 48 HB VAL 48 4.061 -9.507 2.652 157 1HG1 VAL 48 HG11 VAL 48 5.607 -11.709 1.267 158 2HG1 VAL 48 HG12 VAL 48 3.866 -11.612 1.534 159 3HG1 VAL 48 HG13 VAL 48 4.953 -11.890 2.895 160 1HG2 VAL 48 HG21 VAL 48 6.966 -10.270 2.798 161 2HG2 VAL 48 HG22 VAL 48 5.905 -9.684 4.079 162 3HG2 VAL 48 HG23 VAL 48 6.511 -8.567 2.857 163 H CYS 49 HN CYS 49 3.066 -7.688 0.481 164 HA CYS 49 HA CYS 49 4.528 -5.220 1.332 165 1HB CYS 49 HB2 CYS 49 3.412 -5.778 -1.205 166 2HB CYS 49 HB1 CYS 49 2.318 -4.631 -0.430 167 HG CYS 49 HG CYS 49 5.286 -3.853 -0.233 168 H LEU 50 HN LEU 50 3.494 -4.031 2.891 169 HA LEU 50 HA LEU 50 0.661 -4.772 3.511 170 1HB LEU 50 HB2 LEU 50 1.274 -4.185 5.910 171 2HB LEU 50 HB1 LEU 50 2.016 -5.658 5.285 172 HG LEU 50 HG LEU 50 3.553 -3.178 4.799 173 1HD1 LEU 50 HD11 LEU 50 4.402 -3.060 7.097 174 2HD1 LEU 50 HD12 LEU 50 3.298 -4.344 7.589 175 3HD1 LEU 50 HD13 LEU 50 2.661 -2.778 7.085 176 1HD2 LEU 50 HD21 LEU 50 5.212 -4.704 4.624 177 2HD2 LEU 50 HD22 LEU 50 3.969 -5.945 4.777 178 3HD2 LEU 50 HD23 LEU 50 4.837 -5.386 6.206 179 H ILE 51 HN ILE 51 -0.667 -3.059 3.198 180 HA ILE 51 HA ILE 51 0.487 -0.340 3.075 181 HB ILE 51 HB ILE 51 -2.435 -0.907 2.711 182 1HG1 ILE 51 HG12 ILE 51 -1.394 -2.732 1.485 183 2HG1 ILE 51 HG11 ILE 51 -1.930 -1.516 0.325 184 1HG2 ILE 51 HG21 ILE 51 -2.080 1.321 2.279 185 2HG2 ILE 51 HG22 ILE 51 -1.672 0.694 0.682 186 3HG2 ILE 51 HG23 ILE 51 -0.392 1.073 1.835 187 1HD1 ILE 51 HD11 ILE 51 0.798 -2.395 0.992 188 2HD1 ILE 51 HD12 ILE 51 0.607 -0.643 0.932 189 3HD1 ILE 51 HD13 ILE 51 0.192 -1.623 -0.473 190 H THR 52 HN THR 52 0.512 0.889 4.888 191 HA THR 52 HA THR 52 -1.823 0.858 6.695 192 HB THR 52 HB THR 52 0.799 0.657 8.085 193 HG1 THR 52 HG1 THR 52 1.226 -1.195 7.234 194 1HG2 THR 52 HG21 THR 52 -0.712 -0.808 9.557 195 2HG2 THR 52 HG22 THR 52 -2.039 -0.270 8.528 196 3HG2 THR 52 HG23 THR 52 -1.116 0.906 9.464 197 H GLY 53 HN GLY 53 -1.755 2.710 8.206 198 1HA GLY 53 HA2 GLY 53 -0.630 4.775 8.948 199 2HA GLY 53 HA1 GLY 53 0.196 4.821 7.389 200 H VAL 54 HN VAL 54 -2.254 4.106 5.897 201 HA VAL 54 HA VAL 54 -3.191 6.592 5.107 202 HB VAL 54 HB VAL 54 -4.704 3.971 5.265 203 1HG1 VAL 54 HG11 VAL 54 -6.245 5.929 5.170 204 2HG1 VAL 54 HG12 VAL 54 -6.299 4.961 3.697 205 3HG1 VAL 54 HG13 VAL 54 -5.410 6.484 3.719 206 1HG2 VAL 54 HG21 VAL 54 -3.086 3.575 3.678 207 2HG2 VAL 54 HG22 VAL 54 -2.855 5.290 3.336 208 3HG2 VAL 54 HG23 VAL 54 -4.234 4.431 2.649 209 H ASP 55 HN ASP 55 -3.975 8.188 6.399 210 HA ASP 55 HA ASP 55 -5.836 7.403 8.606 211 1HB ASP 55 HB2 ASP 55 -3.681 8.503 9.298 212 2HB ASP 55 HB1 ASP 55 -4.182 9.935 8.398 213 H LEU 56 HN LEU 56 -7.530 7.443 6.867 214 HA LEU 56 HA LEU 56 -8.477 10.246 6.439 215 1HB LEU 56 HB2 LEU 56 -8.779 7.969 4.459 216 2HB LEU 56 HB1 LEU 56 -9.268 9.647 4.221 217 HG LEU 56 HG LEU 56 -6.408 8.838 4.790 218 1HD1 LEU 56 HD11 LEU 56 -5.962 8.822 2.463 219 2HD1 LEU 56 HD12 LEU 56 -7.519 9.554 2.075 220 3HD1 LEU 56 HD13 LEU 56 -7.444 7.880 2.628 221 1HD2 LEU 56 HD21 LEU 56 -6.827 11.241 3.241 222 2HD2 LEU 56 HD22 LEU 56 -6.037 11.062 4.808 223 3HD2 LEU 56 HD23 LEU 56 -7.781 11.313 4.723 224 H ASP 57 HN ASP 57 -10.906 9.350 5.135 225 HA ASP 57 HA ASP 57 -12.518 8.830 7.462 226 1HB ASP 57 HB2 ASP 57 -12.962 9.201 4.562 227 2HB ASP 57 HB1 ASP 57 -14.159 8.188 5.371 228 H ASP 58 HN ASP 58 -13.482 6.898 8.145 229 HA ASP 58 HA ASP 58 -12.093 4.466 7.700 230 1HB ASP 58 HB2 ASP 58 -14.472 5.331 9.140 231 2HB ASP 58 HB1 ASP 58 -14.688 3.725 8.442 232 H ALA 59 HN ALA 59 -14.943 5.824 6.097 233 HA ALA 59 HA ALA 59 -15.478 3.420 4.551 234 1HB ALA 59 HB1 ALA 59 -16.353 6.265 3.975 235 2HB ALA 59 HB2 ALA 59 -17.202 5.172 5.068 236 3HB ALA 59 HB3 ALA 59 -17.086 4.788 3.351 237 H GLU 60 HN GLU 60 -13.577 6.351 4.085 238 HA GLU 60 HA GLU 60 -13.097 5.921 1.261 239 1HB GLU 60 HB2 GLU 60 -12.736 8.050 2.850 240 2HB GLU 60 HB1 GLU 60 -11.102 7.388 2.925 241 1HG GLU 60 HG2 GLU 60 -10.948 7.402 0.485 242 2HG GLU 60 HG1 GLU 60 -12.612 7.972 0.361 243 H LEU 61 HN LEU 61 -11.658 4.725 4.212 244 HA LEU 61 HA LEU 61 -9.168 3.851 3.019 245 1HB LEU 61 HB2 LEU 61 -10.594 3.424 5.602 246 2HB LEU 61 HB1 LEU 61 -9.391 2.219 5.142 247 HG LEU 61 HG LEU 61 -8.266 4.766 4.580 248 1HD1 LEU 61 HD11 LEU 61 -9.427 6.064 6.064 249 2HD1 LEU 61 HD12 LEU 61 -8.331 5.327 7.233 250 3HD1 LEU 61 HD13 LEU 61 -9.957 4.678 7.017 251 1HD2 LEU 61 HD21 LEU 61 -6.850 2.966 5.167 252 2HD2 LEU 61 HD22 LEU 61 -7.800 2.571 6.599 253 3HD2 LEU 61 HD23 LEU 61 -6.790 4.016 6.582 254 H THR 62 HN THR 62 -12.066 2.011 4.067 255 HA THR 62 HA THR 62 -11.297 -0.468 2.944 256 HB THR 62 HB THR 62 -13.209 -0.299 4.450 257 HG1 THR 62 HG1 THR 62 -14.514 -1.663 3.345 258 1HG2 THR 62 HG21 THR 62 -13.915 1.851 2.690 259 2HG2 THR 62 HG22 THR 62 -14.655 1.404 4.227 260 3HG2 THR 62 HG23 THR 62 -15.241 0.689 2.725 261 H LYS 63 HN LYS 63 -12.487 2.426 1.418 262 HA LYS 63 HA LYS 63 -13.303 1.133 -1.056 263 1HB LYS 63 HB2 LYS 63 -12.815 3.985 -0.213 264 2HB LYS 63 HB1 LYS 63 -13.094 3.583 -1.908 265 1HG LYS 63 HG2 LYS 63 -15.196 2.385 -1.197 266 2HG LYS 63 HG1 LYS 63 -14.945 3.031 0.426 267 1HD LYS 63 HD2 LYS 63 -14.900 5.342 -0.596 268 2HD LYS 63 HD1 LYS 63 -15.399 4.607 -2.121 269 1HE LYS 63 HE2 LYS 63 -17.465 3.842 -1.183 270 2HE LYS 63 HE1 LYS 63 -16.935 4.217 0.457 271 1HZ LYS 63 HZ1 LYS 63 -18.189 6.044 -0.003 272 2HZ LYS 63 HZ2 LYS 63 -17.842 6.021 -1.666 273 3HZ LYS 63 HZ3 LYS 63 -16.686 6.597 -0.561 274 H LEU 64 HN LEU 64 -10.417 2.972 -0.024 275 HA LEU 64 HA LEU 64 -9.030 2.808 -2.508 276 1HB LEU 64 HB2 LEU 64 -8.459 3.668 0.171 277 2HB LEU 64 HB1 LEU 64 -7.131 2.654 -0.392 278 HG LEU 64 HG LEU 64 -6.819 5.061 -0.982 279 1HD1 LEU 64 HD11 LEU 64 -5.593 3.948 -2.539 280 2HD1 LEU 64 HD12 LEU 64 -6.893 4.390 -3.645 281 3HD1 LEU 64 HD13 LEU 64 -6.891 2.803 -2.875 282 1HD2 LEU 64 HD21 LEU 64 -8.651 5.161 -3.190 283 2HD2 LEU 64 HD22 LEU 64 -8.552 6.244 -1.802 284 3HD2 LEU 64 HD23 LEU 64 -9.559 4.799 -1.722 285 H ALA 65 HN ALA 65 -8.962 0.649 0.338 286 HA ALA 65 HA ALA 65 -7.083 -1.209 -0.788 287 1HB ALA 65 HB1 ALA 65 -9.262 -1.757 1.251 288 2HB ALA 65 HB2 ALA 65 -7.673 -1.096 1.639 289 3HB ALA 65 HB3 ALA 65 -7.813 -2.725 0.980 290 H ALA 66 HN ALA 66 -10.623 -0.994 -0.884 291 HA ALA 66 HA ALA 66 -11.148 -3.520 -2.072 292 1HB ALA 66 HB1 ALA 66 -12.594 -0.879 -2.452 293 2HB ALA 66 HB2 ALA 66 -12.947 -2.092 -1.221 294 3HB ALA 66 HB3 ALA 66 -13.232 -2.454 -2.923 295 H GLU 67 HN GLU 67 -10.155 -0.435 -3.506 296 HA GLU 67 HA GLU 67 -10.423 -1.388 -6.244 297 1HB GLU 67 HB2 GLU 67 -9.240 1.035 -4.920 298 2HB GLU 67 HB1 GLU 67 -8.841 0.691 -6.603 299 1HG GLU 67 HG2 GLU 67 -11.444 0.376 -6.851 300 2HG GLU 67 HG1 GLU 67 -11.502 1.362 -5.389 301 H LEU 68 HN LEU 68 -7.809 -1.185 -3.869 302 HA LEU 68 HA LEU 68 -5.612 -1.767 -5.553 303 1HB LEU 68 HB2 LEU 68 -6.052 -1.529 -2.795 304 2HB LEU 68 HB1 LEU 68 -5.426 -3.164 -3.010 305 HG LEU 68 HG LEU 68 -3.526 -1.713 -2.727 306 1HD1 LEU 68 HD11 LEU 68 -4.018 -3.188 -5.110 307 2HD1 LEU 68 HD12 LEU 68 -2.460 -2.823 -4.369 308 3HD1 LEU 68 HD13 LEU 68 -3.141 -1.730 -5.574 309 1HD2 LEU 68 HD21 LEU 68 -3.195 0.221 -4.313 310 2HD2 LEU 68 HD22 LEU 68 -4.553 0.431 -3.208 311 3HD2 LEU 68 HD23 LEU 68 -4.845 -0.035 -4.883 312 H LYS 69 HN LYS 69 -7.632 -4.073 -3.696 313 HA LYS 69 HA LYS 69 -6.414 -6.410 -4.839 314 1HB LYS 69 HB2 LYS 69 -8.384 -7.604 -3.937 315 2HB LYS 69 HB1 LYS 69 -7.718 -6.485 -2.746 316 1HG LYS 69 HG2 LYS 69 -9.410 -4.798 -3.398 317 2HG LYS 69 HG1 LYS 69 -10.092 -5.942 -4.554 318 1HD LYS 69 HD2 LYS 69 -10.272 -7.539 -2.495 319 2HD LYS 69 HD1 LYS 69 -10.120 -6.058 -1.548 320 1HE LYS 69 HE2 LYS 69 -12.481 -6.492 -1.906 321 2HE LYS 69 HE1 LYS 69 -12.021 -5.089 -2.869 322 1HZ LYS 69 HZ1 LYS 69 -11.548 -7.351 -4.416 323 2HZ LYS 69 HZ2 LYS 69 -12.729 -6.154 -4.656 324 3HZ LYS 69 HZ3 LYS 69 -13.092 -7.539 -3.741 325 H LYS 70 HN LYS 70 -9.134 -4.380 -5.809 326 HA LYS 70 HA LYS 70 -10.263 -6.090 -7.779 327 1HB LYS 70 HB2 LYS 70 -10.713 -3.492 -6.874 328 2HB LYS 70 HB1 LYS 70 -10.252 -3.277 -8.564 329 1HG LYS 70 HG2 LYS 70 -11.925 -5.380 -8.828 330 2HG LYS 70 HG1 LYS 70 -12.642 -4.615 -7.410 331 1HD LYS 70 HD2 LYS 70 -13.147 -2.646 -8.557 332 2HD LYS 70 HD1 LYS 70 -11.908 -2.926 -9.782 333 1HE LYS 70 HE2 LYS 70 -13.247 -4.331 -11.016 334 2HE LYS 70 HE1 LYS 70 -14.099 -4.936 -9.595 335 1HZ LYS 70 HZ1 LYS 70 -15.481 -3.507 -11.026 336 2HZ LYS 70 HZ2 LYS 70 -14.431 -2.208 -10.716 337 3HZ LYS 70 HZ3 LYS 70 -15.325 -2.902 -9.449 338 H LYS 71 HN LYS 71 -7.292 -4.298 -7.760 339 HA LYS 71 HA LYS 71 -6.998 -4.359 -10.684 340 1HB LYS 71 HB2 LYS 71 -5.776 -2.960 -8.511 341 2HB LYS 71 HB1 LYS 71 -4.513 -3.837 -9.374 342 1HG LYS 71 HG2 LYS 71 -4.593 -1.913 -10.656 343 2HG LYS 71 HG1 LYS 71 -5.795 -2.888 -11.504 344 1HD LYS 71 HD2 LYS 71 -7.573 -1.841 -10.087 345 2HD LYS 71 HD1 LYS 71 -6.343 -0.790 -9.384 346 1HE LYS 71 HE2 LYS 71 -6.443 -0.890 -12.353 347 2HE LYS 71 HE1 LYS 71 -7.795 -0.088 -11.553 348 1HZ LYS 71 HZ1 LYS 71 -6.123 1.529 -11.941 349 2HZ LYS 71 HZ2 LYS 71 -4.909 0.541 -11.279 350 3HZ LYS 71 HZ3 LYS 71 -6.112 1.202 -10.277 351 H CYS 72 HN CYS 72 -5.768 -6.135 -7.873 352 HA CYS 72 HA CYS 72 -4.141 -7.862 -9.652 353 1HB CYS 72 HB2 CYS 72 -4.225 -7.258 -6.757 354 2HB CYS 72 HB1 CYS 72 -3.870 -8.938 -7.160 355 HG CYS 72 HG CYS 72 -1.635 -7.476 -7.160 356 H GLY 73 HN GLY 73 -6.411 -8.504 -6.953 357 1HA GLY 73 HA2 GLY 73 -8.484 -9.822 -7.498 358 2HA GLY 73 HA1 GLY 73 -7.470 -10.787 -8.573 359 H CYS 74 HN CYS 74 -5.671 -9.971 -5.879 360 HA CYS 74 HA CYS 74 -6.641 -12.065 -4.084 361 1HB CYS 74 HB2 CYS 74 -5.459 -13.420 -5.770 362 2HB CYS 74 HB1 CYS 74 -4.014 -12.429 -5.561 363 HG CYS 74 HG CYS 74 -3.599 -14.344 -3.932 364 H GLY 75 HN GLY 75 -6.241 -11.232 -2.090 365 1HA GLY 75 HA2 GLY 75 -3.730 -9.652 -1.716 366 2HA GLY 75 HA1 GLY 75 -5.266 -9.089 -1.058 367 H GLY 76 HN GLY 76 -5.836 -9.793 0.956 368 1HA GLY 76 HA2 GLY 76 -5.103 -12.362 2.027 369 2HA GLY 76 HA1 GLY 76 -4.035 -11.112 2.665 370 H ALA 77 HN ALA 77 -5.754 -8.967 2.932 371 HA ALA 77 HA ALA 77 -8.280 -9.553 4.118 372 1HB ALA 77 HB1 ALA 77 -7.171 -8.875 6.526 373 2HB ALA 77 HB2 ALA 77 -5.906 -9.896 5.842 374 3HB ALA 77 HB3 ALA 77 -7.541 -10.529 6.039 375 H VAL 78 HN VAL 78 -9.274 -7.629 3.825 376 HA VAL 78 HA VAL 78 -7.646 -5.140 3.996 377 HB VAL 78 HB VAL 78 -10.372 -5.704 2.792 378 1HG1 VAL 78 HG11 VAL 78 -10.200 -3.340 1.967 379 2HG1 VAL 78 HG12 VAL 78 -8.798 -3.122 3.015 380 3HG1 VAL 78 HG13 VAL 78 -10.381 -3.458 3.717 381 1HG2 VAL 78 HG21 VAL 78 -9.224 -6.098 0.893 382 2HG2 VAL 78 HG22 VAL 78 -7.724 -5.977 1.812 383 3HG2 VAL 78 HG23 VAL 78 -8.400 -4.545 1.037 384 H LYS 79 HN LYS 79 -7.629 -4.678 6.208 385 HA LYS 79 HA LYS 79 -10.279 -4.543 7.574 386 1HB LYS 79 HB2 LYS 79 -7.641 -4.260 8.987 387 2HB LYS 79 HB1 LYS 79 -9.175 -4.871 9.609 388 1HG LYS 79 HG2 LYS 79 -8.865 -6.751 7.821 389 2HG LYS 79 HG1 LYS 79 -7.172 -6.253 7.841 390 1HD LYS 79 HD2 LYS 79 -6.810 -7.220 9.851 391 2HD LYS 79 HD1 LYS 79 -8.281 -6.524 10.532 392 1HE LYS 79 HE2 LYS 79 -9.307 -8.517 10.368 393 2HE LYS 79 HE1 LYS 79 -9.047 -8.509 8.624 394 1HZ LYS 79 HZ1 LYS 79 -8.004 -10.345 10.174 395 2HZ LYS 79 HZ2 LYS 79 -6.774 -9.183 10.331 396 3HZ LYS 79 HZ3 LYS 79 -7.194 -9.778 8.796 397 H ASP 80 HN ASP 80 -10.992 -2.599 8.438 398 HA ASP 80 HA ASP 80 -10.116 -0.161 7.286 399 1HB ASP 80 HB2 ASP 80 -11.364 0.840 9.353 400 2HB ASP 80 HB1 ASP 80 -12.289 -0.100 8.182 401 H GLY 81 HN GLY 81 -7.885 0.186 7.541 402 1HA GLY 81 HA2 GLY 81 -6.569 1.687 9.151 403 2HA GLY 81 HA1 GLY 81 -6.924 0.453 10.361 404 H VAL 82 HN VAL 82 -6.543 -1.850 8.740 405 HA VAL 82 HA VAL 82 -3.679 -1.602 7.931 406 HB VAL 82 HB VAL 82 -4.823 -3.892 9.556 407 1HG1 VAL 82 HG11 VAL 82 -2.968 -4.887 8.704 408 2HG1 VAL 82 HG12 VAL 82 -2.084 -3.862 9.836 409 3HG1 VAL 82 HG13 VAL 82 -2.288 -3.353 8.159 410 1HG2 VAL 82 HG21 VAL 82 -3.867 -1.261 10.350 411 2HG2 VAL 82 HG22 VAL 82 -2.861 -2.537 11.035 412 3HG2 VAL 82 HG23 VAL 82 -4.598 -2.524 11.340 413 H ILE 83 HN ILE 83 -3.440 -2.343 5.888 414 HA ILE 83 HA ILE 83 -5.346 -4.442 4.928 415 HB ILE 83 HB ILE 83 -3.990 -2.356 3.200 416 1HG1 ILE 83 HG12 ILE 83 -6.688 -1.736 3.290 417 2HG1 ILE 83 HG11 ILE 83 -6.329 -2.156 4.966 418 1HG2 ILE 83 HG21 ILE 83 -6.206 -3.087 1.879 419 2HG2 ILE 83 HG22 ILE 83 -5.960 -4.563 2.811 420 3HG2 ILE 83 HG23 ILE 83 -4.695 -3.983 1.728 421 1HD1 ILE 83 HD11 ILE 83 -4.431 -0.577 4.957 422 2HD1 ILE 83 HD12 ILE 83 -5.940 0.246 4.561 423 3HD1 ILE 83 HD13 ILE 83 -4.791 -0.155 3.284 424 H GLU 84 HN GLU 84 -4.394 -6.279 4.140 425 HA GLU 84 HA GLU 84 -1.419 -6.234 3.844 426 1HB GLU 84 HB2 GLU 84 -3.136 -8.692 4.245 427 2HB GLU 84 HB1 GLU 84 -1.396 -8.529 4.488 428 1HG GLU 84 HG2 GLU 84 -1.844 -6.907 6.332 429 2HG GLU 84 HG1 GLU 84 -3.572 -7.199 6.129 430 H ILE 85 HN ILE 85 -0.534 -6.870 1.898 431 HA ILE 85 HA ILE 85 -2.392 -7.999 -0.151 432 HB ILE 85 HB ILE 85 -0.420 -5.723 -0.507 433 1HG1 ILE 85 HG12 ILE 85 -2.666 -5.153 0.423 434 2HG1 ILE 85 HG11 ILE 85 -2.411 -4.468 -1.182 435 1HG2 ILE 85 HG21 ILE 85 -1.757 -7.567 -2.454 436 2HG2 ILE 85 HG22 ILE 85 -0.142 -6.861 -2.512 437 3HG2 ILE 85 HG23 ILE 85 -1.551 -5.874 -2.902 438 1HD1 ILE 85 HD11 ILE 85 -4.284 -6.594 -0.311 439 2HD1 ILE 85 HD12 ILE 85 -3.476 -6.874 -1.853 440 3HD1 ILE 85 HD13 ILE 85 -4.443 -5.418 -1.616 441 H GLN 86 HN GLN 86 -1.568 -9.872 -0.933 442 HA GLN 86 HA GLN 86 1.287 -10.490 -0.455 443 1HB GLN 86 HB2 GLN 86 -1.117 -12.008 -0.537 444 2HB GLN 86 HB1 GLN 86 -0.100 -12.576 -1.861 445 1HG GLN 86 HG2 GLN 86 1.789 -12.849 -0.286 446 2HG GLN 86 HG1 GLN 86 0.754 -12.309 1.037 447 1HE2 GLN 86 HE21 GLN 86 1.821 -14.856 1.289 448 2HE2 GLN 86 HE22 GLN 86 0.623 -16.029 1.024 449 H GLY 87 HN GLY 87 2.566 -9.573 -2.023 450 1HA GLY 87 HA2 GLY 87 2.608 -10.617 -4.664 451 2HA GLY 87 HA1 GLY 87 1.774 -9.063 -4.715 452 H ASP 88 HN ASP 88 3.681 -8.418 -6.062 453 HA ASP 88 HA ASP 88 5.722 -7.179 -4.337 454 1HB ASP 88 HB2 ASP 88 6.409 -9.604 -5.208 455 2HB ASP 88 HB1 ASP 88 6.796 -8.704 -6.676 456 H LYS 89 HN LYS 89 4.230 -5.452 -5.329 457 HA LYS 89 HA LYS 89 5.470 -4.535 -7.880 458 1HB LYS 89 HB2 LYS 89 2.564 -4.940 -7.272 459 2HB LYS 89 HB1 LYS 89 3.031 -3.588 -8.305 460 1HG LYS 89 HG2 LYS 89 4.291 -5.164 -9.758 461 2HG LYS 89 HG1 LYS 89 3.735 -6.503 -8.753 462 1HD LYS 89 HD2 LYS 89 1.432 -6.077 -9.332 463 2HD LYS 89 HD1 LYS 89 1.863 -4.576 -10.151 464 1HE LYS 89 HE2 LYS 89 3.196 -5.864 -11.793 465 2HE LYS 89 HE1 LYS 89 2.726 -7.361 -10.986 466 1HZ LYS 89 HZ1 LYS 89 0.837 -5.409 -12.185 467 2HZ LYS 89 HZ2 LYS 89 0.430 -6.899 -11.478 468 3HZ LYS 89 HZ3 LYS 89 1.331 -6.856 -12.918 469 H ARG 90 HN ARG 90 6.340 -3.597 -5.466 470 HA ARG 90 HA ARG 90 4.917 -1.392 -4.363 471 1HB ARG 90 HB2 ARG 90 7.130 -0.651 -3.517 472 2HB ARG 90 HB1 ARG 90 6.875 -2.377 -3.254 473 1HG ARG 90 HG2 ARG 90 8.172 -2.881 -5.294 474 2HG ARG 90 HG1 ARG 90 8.435 -1.156 -5.550 475 1HD ARG 90 HD2 ARG 90 9.455 -1.119 -3.197 476 2HD ARG 90 HD1 ARG 90 9.471 -2.880 -3.296 477 HE ARG 90 HE ARG 90 10.732 -1.529 -5.575 478 1HH1 ARG 90 HH11 ARG 90 11.134 -4.197 -3.822 479 2HH1 ARG 90 HH12 ARG 90 12.789 -3.950 -3.375 480 1HH2 ARG 90 HH21 ARG 90 12.849 -0.639 -4.405 481 2HH2 ARG 90 HH22 ARG 90 13.760 -1.935 -3.705 482 H ASP 91 HN ASP 91 7.037 -1.639 -7.178 483 HA ASP 91 HA ASP 91 7.485 1.107 -7.674 484 1HB ASP 91 HB2 ASP 91 8.615 -0.566 -9.008 485 2HB ASP 91 HB1 ASP 91 7.078 -1.186 -9.614 486 H LEU 92 HN LEU 92 4.867 -0.936 -9.028 487 HA LEU 92 HA LEU 92 3.439 1.236 -10.213 488 1HB LEU 92 HB2 LEU 92 3.168 -1.460 -10.294 489 2HB LEU 92 HB1 LEU 92 1.856 -1.056 -9.185 490 HG LEU 92 HG LEU 92 2.116 0.631 -11.624 491 1HD1 LEU 92 HD11 LEU 92 1.024 -2.199 -11.673 492 2HD1 LEU 92 HD12 LEU 92 2.470 -1.642 -12.514 493 3HD1 LEU 92 HD13 LEU 92 0.885 -1.026 -12.982 494 1HD2 LEU 92 HD21 LEU 92 0.353 1.050 -9.979 495 2HD2 LEU 92 HD22 LEU 92 -0.187 -0.625 -10.096 496 3HD2 LEU 92 HD23 LEU 92 -0.371 0.460 -11.475 497 H LEU 93 HN LEU 93 3.466 -0.082 -6.953 498 HA LEU 93 HA LEU 93 1.079 1.097 -5.964 499 1HB LEU 93 HB2 LEU 93 3.617 0.097 -4.787 500 2HB LEU 93 HB1 LEU 93 2.687 1.216 -3.789 501 HG LEU 93 HG LEU 93 1.100 -0.894 -5.125 502 1HD1 LEU 93 HD11 LEU 93 1.775 -2.496 -3.225 503 2HD1 LEU 93 HD12 LEU 93 3.213 -1.489 -3.049 504 3HD1 LEU 93 HD13 LEU 93 2.907 -2.331 -4.568 505 1HD2 LEU 93 HD21 LEU 93 1.021 -0.520 -2.201 506 2HD2 LEU 93 HD22 LEU 93 -0.294 -0.470 -3.375 507 3HD2 LEU 93 HD23 LEU 93 0.717 0.953 -3.122 508 H LYS 94 HN LYS 94 4.397 2.405 -6.123 509 HA LYS 94 HA LYS 94 3.813 4.904 -4.874 510 1HB LYS 94 HB2 LYS 94 6.117 4.085 -5.283 511 2HB LYS 94 HB1 LYS 94 5.876 4.304 -7.017 512 1HG LYS 94 HG2 LYS 94 5.466 6.715 -6.654 513 2HG LYS 94 HG1 LYS 94 5.732 6.494 -4.924 514 1HD LYS 94 HD2 LYS 94 8.026 5.647 -5.422 515 2HD LYS 94 HD1 LYS 94 7.754 6.001 -7.129 516 1HE LYS 94 HE2 LYS 94 7.393 8.376 -6.590 517 2HE LYS 94 HE1 LYS 94 7.642 8.031 -4.878 518 1HZ LYS 94 HZ1 LYS 94 9.799 6.947 -6.241 519 2HZ LYS 94 HZ2 LYS 94 9.798 8.298 -5.212 520 3HZ LYS 94 HZ3 LYS 94 9.569 8.500 -6.883 521 H SER 95 HN SER 95 3.383 3.763 -8.179 522 HA SER 95 HA SER 95 2.895 6.355 -9.346 523 1HB SER 95 HB2 SER 95 3.338 3.987 -10.455 524 2HB SER 95 HB1 SER 95 1.581 3.883 -10.415 525 HG SER 95 HG SER 95 2.495 4.863 -12.342 526 H LEU 96 HN LEU 96 0.490 3.747 -8.865 527 HA LEU 96 HA LEU 96 -1.826 5.237 -9.106 528 1HB LEU 96 HB2 LEU 96 -2.876 3.637 -7.494 529 2HB LEU 96 HB1 LEU 96 -1.899 2.831 -8.723 530 HG LEU 96 HG LEU 96 0.025 3.105 -6.938 531 1HD1 LEU 96 HD11 LEU 96 -0.598 3.803 -4.890 532 2HD1 LEU 96 HD12 LEU 96 -1.863 2.576 -4.820 533 3HD1 LEU 96 HD13 LEU 96 -2.200 4.150 -5.540 534 1HD2 LEU 96 HD21 LEU 96 -0.997 0.928 -5.820 535 2HD2 LEU 96 HD22 LEU 96 -0.483 0.908 -7.507 536 3HD2 LEU 96 HD23 LEU 96 -2.191 1.091 -7.108 537 H LEU 97 HN LEU 97 0.299 5.067 -6.272 538 HA LEU 97 HA LEU 97 -1.382 6.536 -4.486 539 1HB LEU 97 HB2 LEU 97 0.918 5.242 -4.125 540 2HB LEU 97 HB1 LEU 97 1.589 6.857 -4.352 541 HG LEU 97 HG LEU 97 0.066 7.714 -2.584 542 1HD1 LEU 97 HD11 LEU 97 -1.757 6.452 -2.147 543 2HD1 LEU 97 HD12 LEU 97 -0.685 5.399 -1.223 544 3HD1 LEU 97 HD13 LEU 97 -1.041 5.032 -2.911 545 1HD2 LEU 97 HD21 LEU 97 1.264 5.554 -1.054 546 2HD2 LEU 97 HD22 LEU 97 1.705 7.261 -1.100 547 3HD2 LEU 97 HD23 LEU 97 2.378 6.144 -2.287 548 H GLU 98 HN GLU 98 1.230 7.623 -6.671 549 HA GLU 98 HA GLU 98 0.903 10.416 -6.021 550 1HB GLU 98 HB2 GLU 98 2.889 9.182 -7.203 551 2HB GLU 98 HB1 GLU 98 1.955 9.460 -8.673 552 1HG GLU 98 HG2 GLU 98 2.132 11.781 -8.510 553 2HG GLU 98 HG1 GLU 98 2.421 11.736 -6.771 554 H ALA 99 HN ALA 99 -0.924 8.236 -7.927 555 HA ALA 99 HA ALA 99 -1.956 10.114 -9.864 556 1HB ALA 99 HB1 ALA 99 -3.581 8.416 -10.382 557 2HB ALA 99 HB2 ALA 99 -3.347 7.635 -8.818 558 3HB ALA 99 HB3 ALA 99 -2.067 7.583 -10.030 559 H LYS 100 HN LYS 100 -2.772 9.317 -6.551 560 HA LYS 100 HA LYS 100 -5.324 10.777 -6.671 561 1HB LYS 100 HB2 LYS 100 -3.853 9.166 -4.636 562 2HB LYS 100 HB1 LYS 100 -4.971 10.393 -4.039 563 1HG LYS 100 HG2 LYS 100 -6.128 8.239 -4.317 564 2HG LYS 100 HG1 LYS 100 -6.765 9.433 -5.448 565 1HD LYS 100 HD2 LYS 100 -6.087 8.237 -7.240 566 2HD LYS 100 HD1 LYS 100 -4.483 7.983 -6.551 567 1HE LYS 100 HE2 LYS 100 -5.552 6.240 -5.028 568 2HE LYS 100 HE1 LYS 100 -6.992 6.372 -6.038 569 1HZ LYS 100 HZ1 LYS 100 -5.351 5.986 -7.957 570 2HZ LYS 100 HZ2 LYS 100 -5.822 4.655 -7.012 571 3HZ LYS 100 HZ3 LYS 100 -4.310 5.387 -6.759 572 H GLY 101 HN GLY 101 -2.018 11.496 -6.121 573 1HA GLY 101 HA2 GLY 101 -1.093 13.674 -5.860 574 2HA GLY 101 HA1 GLY 101 -2.712 14.292 -5.532 575 H MET 102 HN MET 102 -1.932 11.483 -3.756 576 HA MET 102 HA MET 102 -1.846 13.072 -1.274 577 1HB MET 102 HB2 MET 102 -1.598 10.071 -1.440 578 2HB MET 102 HB1 MET 102 -2.277 11.049 -0.139 579 1HG MET 102 HG2 MET 102 -3.861 11.777 -2.257 580 2HG MET 102 HG1 MET 102 -3.546 10.079 -2.616 581 1HE MET 102 HE1 MET 102 -4.879 7.944 -0.491 582 2HE MET 102 HE2 MET 102 -3.810 8.578 0.757 583 3HE MET 102 HE3 MET 102 -3.256 8.504 -0.914 584 H LYS 103 HN LYS 103 -0.180 12.252 0.427 585 HA LYS 103 HA LYS 103 2.475 12.558 -0.766 586 1HB LYS 103 HB2 LYS 103 1.407 13.284 1.643 587 2HB LYS 103 HB1 LYS 103 2.281 11.818 2.090 588 1HG LYS 103 HG2 LYS 103 4.307 12.789 1.773 589 2HG LYS 103 HG1 LYS 103 3.788 13.595 0.293 590 1HD LYS 103 HD2 LYS 103 2.578 14.608 2.805 591 2HD LYS 103 HD1 LYS 103 4.300 14.925 2.598 592 1HE LYS 103 HE2 LYS 103 3.942 16.082 0.542 593 2HE LYS 103 HE1 LYS 103 2.280 15.504 0.424 594 1HZ LYS 103 HZ1 LYS 103 3.250 17.231 2.630 595 2HZ LYS 103 HZ2 LYS 103 1.641 16.835 2.254 596 3HZ LYS 103 HZ3 LYS 103 2.536 17.841 1.218 597 H VAL 104 HN VAL 104 4.256 11.006 -0.133 598 HA VAL 104 HA VAL 104 3.283 8.220 0.263 599 HB VAL 104 HB VAL 104 5.341 8.902 -1.844 600 1HG1 VAL 104 HG11 VAL 104 3.837 6.478 -0.933 601 2HG1 VAL 104 HG12 VAL 104 5.527 6.632 -1.414 602 3HG1 VAL 104 HG13 VAL 104 4.259 6.608 -2.640 603 1HG2 VAL 104 HG21 VAL 104 3.102 8.183 -3.242 604 2HG2 VAL 104 HG22 VAL 104 3.600 9.853 -2.972 605 3HG2 VAL 104 HG23 VAL 104 2.391 9.113 -1.923 606 H LYS 105 HN LYS 105 4.493 7.255 1.820 607 HA LYS 105 HA LYS 105 7.147 8.462 2.462 608 1HB LYS 105 HB2 LYS 105 4.935 7.554 4.076 609 2HB LYS 105 HB1 LYS 105 6.382 6.630 4.480 610 1HG LYS 105 HG2 LYS 105 7.275 8.395 5.553 611 2HG LYS 105 HG1 LYS 105 7.055 9.419 4.133 612 1HD LYS 105 HD2 LYS 105 4.638 9.688 4.796 613 2HD LYS 105 HD1 LYS 105 5.016 8.841 6.298 614 1HE LYS 105 HE2 LYS 105 6.610 10.549 6.933 615 2HE LYS 105 HE1 LYS 105 6.450 11.343 5.367 616 1HZ LYS 105 HZ1 LYS 105 4.899 12.564 6.374 617 2HZ LYS 105 HZ2 LYS 105 4.750 11.489 7.682 618 3HZ LYS 105 HZ3 LYS 105 3.897 11.202 6.241 619 H LEU 106 HN LEU 106 7.666 7.034 0.402 620 HA LEU 106 HA LEU 106 7.730 4.270 0.333 621 1HB LEU 106 HB2 LEU 106 8.990 6.282 -1.080 622 2HB LEU 106 HB1 LEU 106 10.345 5.420 -0.350 623 HG LEU 106 HG LEU 106 9.403 3.279 -1.216 624 1HD1 LEU 106 HD11 LEU 106 7.132 4.946 -1.666 625 2HD1 LEU 106 HD12 LEU 106 7.283 3.214 -1.966 626 3HD1 LEU 106 HD13 LEU 106 7.689 4.368 -3.237 627 1HD2 LEU 106 HD21 LEU 106 10.327 5.539 -2.903 628 2HD2 LEU 106 HD22 LEU 106 9.609 4.183 -3.772 629 3HD2 LEU 106 HD23 LEU 106 11.002 3.920 -2.724 630 H ALA 107 HN ALA 107 8.064 3.106 2.208 631 HA ALA 107 HA ALA 107 10.407 3.778 3.903 632 1HB ALA 107 HB1 ALA 107 9.072 3.084 5.576 633 2HB ALA 107 HB2 ALA 107 8.987 1.479 4.851 634 3HB ALA 107 HB3 ALA 107 7.807 2.712 4.404 635 H GLY 108 HN GLY 108 9.566 1.705 1.349 636 1HA GLY 108 HA2 GLY 108 11.615 -0.308 2.146 637 2HA GLY 108 HA1 GLY 108 10.406 -0.540 0.882 638 H GLY 109 HN GLY 109 13.521 -0.488 0.997 639 1HA GLY 109 HA2 GLY 109 14.286 -0.046 -1.524 640 2HA GLY 109 HA1 GLY 109 14.056 1.626 -1.008 641 H LEU 110 HN LEU 110 16.564 0.188 -1.757 642 HA LEU 110 HA LEU 110 18.023 0.261 0.841 643 1HB LEU 110 HB2 LEU 110 18.298 -1.266 -1.628 644 2HB LEU 110 HB1 LEU 110 19.818 -0.502 -1.160 645 HG LEU 110 HG LEU 110 18.162 -1.948 0.894 646 1HD1 LEU 110 HD11 LEU 110 20.143 -3.733 0.131 647 2HD1 LEU 110 HD12 LEU 110 19.547 -3.115 -1.409 648 3HD1 LEU 110 HD13 LEU 110 18.432 -3.870 -0.271 649 1HD2 LEU 110 HD21 LEU 110 19.981 -0.665 1.781 650 2HD2 LEU 110 HD22 LEU 110 21.080 -1.230 0.523 651 3HD2 LEU 110 HD23 LEU 110 20.528 -2.342 1.775 652 H GLU 111 HN GLU 111 20.063 1.469 0.920 653 HA GLU 111 HA GLU 111 20.314 3.591 -1.159 654 1HB GLU 111 HB2 GLU 111 19.052 4.566 0.713 655 2HB GLU 111 HB1 GLU 111 20.304 4.046 1.841 656 1HG GLU 111 HG2 GLU 111 21.935 5.498 0.813 657 2HG GLU 111 HG1 GLU 111 20.827 5.893 -0.502 Start of MODEL 19 1 HA LYS 29 HA LYS 29 -9.531 17.694 10.578 2 1HB LYS 29 HB2 LYS 29 -12.064 18.626 10.536 3 2HB LYS 29 HB1 LYS 29 -12.387 16.910 10.291 4 1HG LYS 29 HG2 LYS 29 -10.850 16.468 12.278 5 2HG LYS 29 HG1 LYS 29 -10.909 18.204 12.591 6 1HD LYS 29 HD2 LYS 29 -13.409 18.052 12.664 7 2HD LYS 29 HD1 LYS 29 -13.267 16.301 12.510 8 1HE LYS 29 HE2 LYS 29 -11.865 16.271 14.575 9 2HE LYS 29 HE1 LYS 29 -12.139 18.005 14.750 10 1HZ LYS 29 HZ1 LYS 29 -13.752 16.983 16.076 11 2HZ LYS 29 HZ2 LYS 29 -14.121 15.813 14.900 12 3HZ LYS 29 HZ3 LYS 29 -14.585 17.431 14.668 13 H GLY 30 HN GLY 30 -8.247 16.103 9.515 14 1HA GLY 30 HA2 GLY 30 -9.408 13.491 9.333 15 2HA GLY 30 HA1 GLY 30 -9.174 14.137 7.707 16 H ASP 31 HN ASP 31 -6.847 15.327 7.613 17 HA ASP 31 HA ASP 31 -4.551 14.862 7.418 18 1HB ASP 31 HB2 ASP 31 -4.749 15.550 9.827 19 2HB ASP 31 HB1 ASP 31 -4.919 13.846 10.251 20 H GLY 32 HN GLY 32 -5.449 13.037 5.935 21 1HA GLY 32 HA2 GLY 32 -4.932 10.344 7.089 22 2HA GLY 32 HA1 GLY 32 -5.747 10.657 5.556 23 H VAL 33 HN VAL 33 -3.209 9.093 6.385 24 HA VAL 33 HA VAL 33 -1.590 10.070 4.097 25 HB VAL 33 HB VAL 33 0.496 9.779 5.483 26 1HG1 VAL 33 HG11 VAL 33 -1.415 11.852 6.595 27 2HG1 VAL 33 HG12 VAL 33 -0.616 12.003 5.030 28 3HG1 VAL 33 HG13 VAL 33 0.343 11.960 6.509 29 1HG2 VAL 33 HG21 VAL 33 -1.549 8.993 7.428 30 2HG2 VAL 33 HG22 VAL 33 -0.448 10.218 8.059 31 3HG2 VAL 33 HG23 VAL 33 0.189 8.692 7.447 32 H VAL 34 HN VAL 34 -1.233 8.331 2.814 33 HA VAL 34 HA VAL 34 -1.402 5.620 4.025 34 HB VAL 34 HB VAL 34 -1.182 6.176 1.074 35 1HG1 VAL 34 HG11 VAL 34 -3.080 4.187 1.718 36 2HG1 VAL 34 HG12 VAL 34 -1.713 3.919 2.801 37 3HG1 VAL 34 HG13 VAL 34 -1.464 3.942 1.055 38 1HG2 VAL 34 HG21 VAL 34 -3.058 7.444 1.210 39 2HG2 VAL 34 HG22 VAL 34 -3.334 6.995 2.893 40 3HG2 VAL 34 HG23 VAL 34 -3.896 5.941 1.595 41 H ARG 35 HN ARG 35 0.263 4.050 3.574 42 HA ARG 35 HA ARG 35 2.805 5.145 2.475 43 1HB ARG 35 HB2 ARG 35 2.737 3.506 5.015 44 2HB ARG 35 HB1 ARG 35 4.091 4.417 4.345 45 1HG ARG 35 HG2 ARG 35 2.177 6.370 4.595 46 2HG ARG 35 HG1 ARG 35 1.836 5.351 5.994 47 1HD ARG 35 HD2 ARG 35 4.245 5.465 6.623 48 2HD ARG 35 HD1 ARG 35 4.519 6.568 5.274 49 HE ARG 35 HE ARG 35 2.769 8.057 6.472 50 1HH1 ARG 35 HH11 ARG 35 3.319 5.545 8.515 51 2HH1 ARG 35 HH12 ARG 35 3.984 6.473 9.817 52 1HH2 ARG 35 HH21 ARG 35 4.281 9.378 7.947 53 2HH2 ARG 35 HH22 ARG 35 4.529 8.643 9.496 54 H ILE 36 HN ILE 36 3.408 3.770 0.880 55 HA ILE 36 HA ILE 36 2.883 0.852 1.283 56 HB ILE 36 HB ILE 36 2.880 2.255 -1.399 57 1HG1 ILE 36 HG12 ILE 36 0.268 1.495 -0.837 58 2HG1 ILE 36 HG11 ILE 36 0.831 2.166 0.695 59 1HG2 ILE 36 HG21 ILE 36 1.368 0.052 -1.693 60 2HG2 ILE 36 HG22 ILE 36 2.402 -0.503 -0.376 61 3HG2 ILE 36 HG23 ILE 36 3.119 0.022 -1.899 62 1HD1 ILE 36 HD11 ILE 36 0.037 3.582 -1.648 63 2HD1 ILE 36 HD12 ILE 36 1.766 3.850 -1.425 64 3HD1 ILE 36 HD13 ILE 36 0.638 4.249 -0.129 65 H GLN 37 HN GLN 37 4.811 -0.172 1.485 66 HA GLN 37 HA GLN 37 6.991 0.513 -0.400 67 1HB GLN 37 HB2 GLN 37 8.653 0.707 1.378 68 2HB GLN 37 HB1 GLN 37 7.372 1.889 1.650 69 1HG GLN 37 HG2 GLN 37 6.461 0.692 3.438 70 2HG GLN 37 HG1 GLN 37 7.169 -0.833 2.905 71 1HE2 GLN 37 HE21 GLN 37 7.469 1.329 5.349 72 2HE2 GLN 37 HE22 GLN 37 9.132 1.205 5.664 73 H ARG 38 HN ARG 38 8.873 -1.148 0.014 74 HA ARG 38 HA ARG 38 7.576 -3.812 0.327 75 1HB ARG 38 HB2 ARG 38 8.995 -3.000 -1.759 76 2HB ARG 38 HB1 ARG 38 10.356 -3.462 -0.736 77 1HG ARG 38 HG2 ARG 38 8.861 -5.643 -0.367 78 2HG ARG 38 HG1 ARG 38 8.228 -5.173 -1.946 79 1HD ARG 38 HD2 ARG 38 11.112 -5.748 -1.221 80 2HD ARG 38 HD1 ARG 38 10.091 -6.644 -2.345 81 HE ARG 38 HE ARG 38 10.145 -4.052 -3.363 82 1HH1 ARG 38 HH21 ARG 38 11.845 -6.923 -3.538 83 2HH1 ARG 38 HH22 ARG 38 13.277 -6.247 -4.237 84 1HH2 ARG 38 HH11 ARG 38 12.253 -2.962 -3.812 85 2HH2 ARG 38 HH12 ARG 38 13.509 -4.004 -4.393 86 H GLN 39 HN GLN 39 8.560 -5.408 1.673 87 HA GLN 39 HA GLN 39 10.745 -4.439 3.455 88 1HB GLN 39 HB2 GLN 39 7.978 -5.114 4.191 89 2HB GLN 39 HB1 GLN 39 9.191 -5.971 5.142 90 1HG GLN 39 HG2 GLN 39 10.300 -3.534 5.206 91 2HG GLN 39 HG1 GLN 39 8.618 -3.047 4.993 92 1HE2 GLN 39 HE21 GLN 39 8.210 -2.319 7.149 93 2HE2 GLN 39 HE22 GLN 39 8.271 -3.348 8.498 94 H THR 40 HN THR 40 12.354 -5.860 2.928 95 HA THR 40 HA THR 40 11.864 -8.556 2.024 96 HB THR 40 HB THR 40 14.340 -8.824 2.339 97 HG1 THR 40 HG1 THR 40 15.471 -7.002 3.052 98 1HG2 THR 40 HG21 THR 40 14.849 -7.532 0.478 99 2HG2 THR 40 HG22 THR 40 13.903 -6.157 1.047 100 3HG2 THR 40 HG23 THR 40 13.089 -7.571 0.378 101 H SER 41 HN SER 41 13.244 -10.357 3.330 102 HA SER 41 HA SER 41 12.822 -10.099 6.245 103 1HB SER 41 HB2 SER 41 11.716 -12.586 5.047 104 2HB SER 41 HB1 SER 41 11.177 -11.684 6.460 105 HG SER 41 HG SER 41 9.828 -11.611 4.475 106 H GLY 42 HN GLY 42 13.587 -12.489 3.682 107 1HA GLY 42 HA2 GLY 42 15.608 -13.715 5.451 108 2HA GLY 42 HA1 GLY 42 15.133 -14.306 3.858 109 H ARG 43 HN ARG 43 16.520 -13.891 2.203 110 HA ARG 43 HA ARG 43 18.461 -11.642 2.551 111 1HB ARG 43 HB2 ARG 43 19.090 -14.280 1.202 112 2HB ARG 43 HB1 ARG 43 20.220 -12.994 1.627 113 1HG ARG 43 HG2 ARG 43 19.798 -13.372 4.011 114 2HG ARG 43 HG1 ARG 43 18.607 -14.614 3.620 115 1HD ARG 43 HD2 ARG 43 20.303 -16.021 2.627 116 2HD ARG 43 HD1 ARG 43 21.513 -14.746 2.771 117 HE ARG 43 HE ARG 43 20.605 -15.192 5.378 118 1HH1 ARG 43 HH21 ARG 43 21.025 -17.680 3.177 119 2HH1 ARG 43 HH22 ARG 43 22.275 -18.492 4.059 120 1HH2 ARG 43 HH11 ARG 43 22.657 -15.945 6.381 121 2HH2 ARG 43 HH12 ARG 43 23.199 -17.510 5.873 122 H LYS 44 HN LYS 44 16.961 -13.855 0.175 123 HA LYS 44 HA LYS 44 16.757 -11.536 -1.683 124 1HB LYS 44 HB2 LYS 44 17.347 -13.187 -3.555 125 2HB LYS 44 HB1 LYS 44 18.683 -12.660 -2.530 126 1HG LYS 44 HG2 LYS 44 18.475 -14.704 -1.181 127 2HG LYS 44 HG1 LYS 44 17.113 -15.231 -2.171 128 1HD LYS 44 HD2 LYS 44 18.677 -15.072 -4.179 129 2HD LYS 44 HD1 LYS 44 19.996 -14.891 -3.022 130 1HE LYS 44 HE2 LYS 44 19.062 -17.037 -1.920 131 2HE LYS 44 HE1 LYS 44 18.169 -17.257 -3.425 132 1HZ LYS 44 HZ1 LYS 44 20.184 -18.401 -3.696 133 2HZ LYS 44 HZ2 LYS 44 21.103 -17.129 -3.046 134 3HZ LYS 44 HZ3 LYS 44 20.375 -16.962 -4.572 135 H GLY 45 HN GLY 45 15.047 -11.821 -3.290 136 1HA GLY 45 HA2 GLY 45 12.887 -12.477 -3.928 137 2HA GLY 45 HA1 GLY 45 13.348 -14.104 -3.424 138 H LYS 46 HN LYS 46 10.909 -13.897 -2.783 139 HA LYS 46 HA LYS 46 9.336 -13.813 -1.043 140 1HB LYS 46 HB2 LYS 46 11.708 -14.738 0.051 141 2HB LYS 46 HB1 LYS 46 11.277 -13.399 1.115 142 1HG LYS 46 HG2 LYS 46 10.277 -15.550 1.866 143 2HG LYS 46 HG1 LYS 46 9.050 -14.349 1.462 144 1HD LYS 46 HD2 LYS 46 9.619 -15.696 -0.949 145 2HD LYS 46 HD1 LYS 46 9.494 -16.952 0.283 146 1HE LYS 46 HE2 LYS 46 7.409 -15.094 0.792 147 2HE LYS 46 HE1 LYS 46 7.384 -15.429 -0.939 148 1HZ LYS 46 HZ1 LYS 46 7.072 -17.679 -0.586 149 2HZ LYS 46 HZ2 LYS 46 6.108 -16.982 0.627 150 3HZ LYS 46 HZ3 LYS 46 7.633 -17.624 1.013 151 H GLY 47 HN GLY 47 9.680 -11.397 -2.296 152 1HA GLY 47 HA2 GLY 47 9.907 -9.411 -0.077 153 2HA GLY 47 HA1 GLY 47 10.093 -9.025 -1.789 154 H VAL 48 HN VAL 48 8.106 -8.255 0.518 155 HA VAL 48 HA VAL 48 5.692 -8.452 -1.229 156 HB VAL 48 HB VAL 48 4.289 -8.833 0.733 157 1HG1 VAL 48 HG11 VAL 48 4.931 -11.098 1.207 158 2HG1 VAL 48 HG12 VAL 48 6.625 -10.755 0.858 159 3HG1 VAL 48 HG13 VAL 48 5.441 -10.767 -0.449 160 1HG2 VAL 48 HG21 VAL 48 6.430 -7.721 2.123 161 2HG2 VAL 48 HG22 VAL 48 6.462 -9.418 2.604 162 3HG2 VAL 48 HG23 VAL 48 5.002 -8.458 2.850 163 H CYS 49 HN CYS 49 4.015 -6.763 -0.511 164 HA CYS 49 HA CYS 49 5.442 -4.302 0.420 165 1HB CYS 49 HB2 CYS 49 4.034 -4.802 -2.019 166 2HB CYS 49 HB1 CYS 49 3.109 -3.625 -1.086 167 HG CYS 49 HG CYS 49 4.896 -2.253 -2.372 168 H LEU 50 HN LEU 50 4.697 -3.708 2.393 169 HA LEU 50 HA LEU 50 1.995 -4.572 3.243 170 1HB LEU 50 HB2 LEU 50 4.434 -3.513 4.637 171 2HB LEU 50 HB1 LEU 50 2.863 -3.368 5.426 172 HG LEU 50 HG LEU 50 3.264 -6.018 4.272 173 1HD1 LEU 50 HD11 LEU 50 5.341 -6.499 4.987 174 2HD1 LEU 50 HD12 LEU 50 4.885 -6.042 6.628 175 3HD1 LEU 50 HD13 LEU 50 5.540 -4.832 5.526 176 1HD2 LEU 50 HD21 LEU 50 1.850 -4.796 6.345 177 2HD2 LEU 50 HD22 LEU 50 3.049 -5.787 7.176 178 3HD2 LEU 50 HD23 LEU 50 1.933 -6.529 6.029 179 H ILE 51 HN ILE 51 0.287 -3.180 3.267 180 HA ILE 51 HA ILE 51 0.871 -0.291 2.774 181 HB ILE 51 HB ILE 51 -1.552 -1.986 2.115 182 1HG1 ILE 51 HG12 ILE 51 0.493 -0.483 0.453 183 2HG1 ILE 51 HG11 ILE 51 0.269 -2.231 0.526 184 1HG2 ILE 51 HG21 ILE 51 -2.792 -0.110 2.167 185 2HG2 ILE 51 HG22 ILE 51 -1.715 0.616 0.974 186 3HG2 ILE 51 HG23 ILE 51 -1.391 0.822 2.695 187 1HD1 ILE 51 HD11 ILE 51 -1.033 -1.897 -1.315 188 2HD1 ILE 51 HD12 ILE 51 -1.286 -0.191 -0.946 189 3HD1 ILE 51 HD13 ILE 51 -2.252 -1.422 -0.132 190 H THR 52 HN THR 52 0.745 0.826 4.665 191 HA THR 52 HA THR 52 -1.632 0.344 6.395 192 HB THR 52 HB THR 52 -0.185 0.591 8.409 193 HG1 THR 52 HG1 THR 52 1.707 1.379 8.003 194 1HG2 THR 52 HG21 THR 52 0.473 -1.645 6.477 195 2HG2 THR 52 HG22 THR 52 -0.754 -1.652 7.744 196 3HG2 THR 52 HG23 THR 52 0.957 -1.651 8.173 197 H GLY 53 HN GLY 53 -1.656 2.244 8.124 198 1HA GLY 53 HA2 GLY 53 -1.207 4.592 8.561 199 2HA GLY 53 HA1 GLY 53 -0.658 4.763 6.893 200 H VAL 54 HN VAL 54 -3.182 3.005 6.259 201 HA VAL 54 HA VAL 54 -4.841 5.097 5.323 202 HB VAL 54 HB VAL 54 -5.789 2.328 6.110 203 1HG1 VAL 54 HG11 VAL 54 -7.724 3.150 5.283 204 2HG1 VAL 54 HG12 VAL 54 -6.939 3.150 3.704 205 3HG1 VAL 54 HG13 VAL 54 -6.931 4.610 4.693 206 1HG2 VAL 54 HG21 VAL 54 -3.951 1.823 4.755 207 2HG2 VAL 54 HG22 VAL 54 -4.113 3.304 3.812 208 3HG2 VAL 54 HG23 VAL 54 -5.239 1.971 3.559 209 H ASP 55 HN ASP 55 -6.074 6.509 6.458 210 HA ASP 55 HA ASP 55 -7.153 5.608 9.100 211 1HB ASP 55 HB2 ASP 55 -5.267 7.330 9.193 212 2HB ASP 55 HB1 ASP 55 -6.388 8.457 8.428 213 H LEU 56 HN LEU 56 -8.993 5.003 7.557 214 HA LEU 56 HA LEU 56 -10.661 7.409 6.943 215 1HB LEU 56 HB2 LEU 56 -11.134 4.663 5.790 216 2HB LEU 56 HB1 LEU 56 -11.646 6.228 5.156 217 HG LEU 56 HG LEU 56 -8.728 5.495 5.426 218 1HD1 LEU 56 HD11 LEU 56 -10.289 5.289 2.856 219 2HD1 LEU 56 HD12 LEU 56 -10.156 3.907 3.944 220 3HD1 LEU 56 HD13 LEU 56 -8.704 4.618 3.239 221 1HD2 LEU 56 HD21 LEU 56 -9.381 7.891 5.153 222 2HD2 LEU 56 HD22 LEU 56 -10.202 7.467 3.651 223 3HD2 LEU 56 HD23 LEU 56 -8.453 7.285 3.781 224 H ASP 57 HN ASP 57 -13.146 6.386 6.819 225 HA ASP 57 HA ASP 57 -13.853 5.982 9.571 226 1HB ASP 57 HB2 ASP 57 -15.222 6.349 7.052 227 2HB ASP 57 HB1 ASP 57 -15.985 5.050 7.969 228 H ASP 58 HN ASP 58 -14.976 3.722 7.087 229 HA ASP 58 HA ASP 58 -13.531 1.475 8.310 230 1HB ASP 58 HB2 ASP 58 -15.888 2.117 9.511 231 2HB ASP 58 HB1 ASP 58 -16.459 1.020 8.253 232 H ALA 59 HN ALA 59 -16.480 2.036 6.343 233 HA ALA 59 HA ALA 59 -15.947 -0.152 4.565 234 1HB ALA 59 HB1 ALA 59 -18.081 0.374 4.064 235 2HB ALA 59 HB2 ALA 59 -17.461 1.742 3.140 236 3HB ALA 59 HB3 ALA 59 -17.923 1.955 4.829 237 H GLU 60 HN GLU 60 -14.845 3.163 4.659 238 HA GLU 60 HA GLU 60 -14.034 3.431 1.932 239 1HB GLU 60 HB2 GLU 60 -13.246 4.722 4.521 240 2HB GLU 60 HB1 GLU 60 -12.242 4.998 3.097 241 1HG GLU 60 HG2 GLU 60 -14.695 5.384 2.013 242 2HG GLU 60 HG1 GLU 60 -15.007 5.914 3.667 243 H LEU 61 HN LEU 61 -12.332 2.154 4.790 244 HA LEU 61 HA LEU 61 -9.805 1.719 3.600 245 1HB LEU 61 HB2 LEU 61 -11.319 0.335 5.805 246 2HB LEU 61 HB1 LEU 61 -9.759 -0.292 5.270 247 HG LEU 61 HG LEU 61 -9.483 2.526 5.547 248 1HD1 LEU 61 HD11 LEU 61 -11.552 2.202 7.024 249 2HD1 LEU 61 HD12 LEU 61 -10.158 2.962 7.793 250 3HD1 LEU 61 HD13 LEU 61 -10.513 1.260 8.094 251 1HD2 LEU 61 HD21 LEU 61 -7.623 1.065 5.853 252 2HD2 LEU 61 HD22 LEU 61 -8.482 0.102 7.056 253 3HD2 LEU 61 HD23 LEU 61 -7.949 1.736 7.452 254 H THR 62 HN THR 62 -12.432 -0.696 3.973 255 HA THR 62 HA THR 62 -11.247 -2.659 2.292 256 HB THR 62 HB THR 62 -13.172 -3.096 3.809 257 HG1 THR 62 HG1 THR 62 -13.231 -4.690 2.444 258 1HG2 THR 62 HG21 THR 62 -15.459 -2.480 2.787 259 2HG2 THR 62 HG22 THR 62 -14.563 -1.321 1.805 260 3HG2 THR 62 HG23 THR 62 -14.546 -1.186 3.563 261 H LYS 63 HN LYS 63 -12.835 0.317 1.532 262 HA LYS 63 HA LYS 63 -13.660 -0.363 -1.156 263 1HB LYS 63 HB2 LYS 63 -14.180 1.734 0.470 264 2HB LYS 63 HB1 LYS 63 -12.915 2.447 -0.531 265 1HG LYS 63 HG2 LYS 63 -14.491 1.140 -2.389 266 2HG LYS 63 HG1 LYS 63 -15.676 1.752 -1.235 267 1HD LYS 63 HD2 LYS 63 -15.140 3.968 -1.644 268 2HD LYS 63 HD1 LYS 63 -13.485 3.587 -2.122 269 1HE LYS 63 HE2 LYS 63 -14.083 3.062 -4.288 270 2HE LYS 63 HE1 LYS 63 -15.694 2.517 -3.822 271 1HZ LYS 63 HZ1 LYS 63 -15.543 4.698 -5.062 272 2HZ LYS 63 HZ2 LYS 63 -14.882 5.356 -3.642 273 3HZ LYS 63 HZ3 LYS 63 -16.452 4.706 -3.631 274 H LEU 64 HN LEU 64 -11.110 1.964 -0.231 275 HA LEU 64 HA LEU 64 -9.746 2.024 -2.660 276 1HB LEU 64 HB2 LEU 64 -9.320 3.189 -0.276 277 2HB LEU 64 HB1 LEU 64 -8.060 1.957 -0.203 278 HG LEU 64 HG LEU 64 -7.139 3.978 -1.207 279 1HD1 LEU 64 HD11 LEU 64 -6.794 1.526 -2.189 280 2HD1 LEU 64 HD12 LEU 64 -6.078 2.932 -2.977 281 3HD1 LEU 64 HD13 LEU 64 -7.574 2.237 -3.601 282 1HD2 LEU 64 HD21 LEU 64 -8.705 3.927 -3.670 283 2HD2 LEU 64 HD22 LEU 64 -8.318 5.291 -2.621 284 3HD2 LEU 64 HD23 LEU 64 -9.710 4.269 -2.262 285 H ALA 65 HN ALA 65 -9.609 -0.459 -0.151 286 HA ALA 65 HA ALA 65 -7.300 -1.831 -1.184 287 1HB ALA 65 HB1 ALA 65 -9.632 -2.851 0.466 288 2HB ALA 65 HB2 ALA 65 -8.086 -2.267 1.082 289 3HB ALA 65 HB3 ALA 65 -8.156 -3.763 0.152 290 H ALA 66 HN ALA 66 -10.804 -2.447 -1.621 291 HA ALA 66 HA ALA 66 -10.511 -4.653 -3.393 292 1HB ALA 66 HB1 ALA 66 -12.651 -2.886 -2.523 293 2HB ALA 66 HB2 ALA 66 -12.733 -4.576 -3.021 294 3HB ALA 66 HB3 ALA 66 -12.811 -3.294 -4.231 295 H GLU 67 HN GLU 67 -10.264 -1.195 -3.955 296 HA GLU 67 HA GLU 67 -10.431 -1.417 -6.855 297 1HB GLU 67 HB2 GLU 67 -10.500 0.676 -5.003 298 2HB GLU 67 HB1 GLU 67 -8.993 0.923 -5.887 299 1HG GLU 67 HG2 GLU 67 -10.075 1.183 -7.934 300 2HG GLU 67 HG1 GLU 67 -11.494 0.272 -7.414 301 H LEU 68 HN LEU 68 -7.832 -1.406 -4.456 302 HA LEU 68 HA LEU 68 -5.702 -1.153 -6.400 303 1HB LEU 68 HB2 LEU 68 -5.824 -2.010 -3.511 304 2HB LEU 68 HB1 LEU 68 -4.326 -2.148 -4.434 305 HG LEU 68 HG LEU 68 -5.936 0.403 -4.120 306 1HD1 LEU 68 HD11 LEU 68 -3.568 0.907 -2.927 307 2HD1 LEU 68 HD12 LEU 68 -3.708 -0.815 -2.573 308 3HD1 LEU 68 HD13 LEU 68 -4.968 0.299 -2.044 309 1HD2 LEU 68 HD21 LEU 68 -4.768 0.925 -6.001 310 2HD2 LEU 68 HD22 LEU 68 -3.658 -0.431 -5.799 311 3HD2 LEU 68 HD23 LEU 68 -3.390 1.070 -4.912 312 H LYS 69 HN LYS 69 -7.232 -3.931 -4.768 313 HA LYS 69 HA LYS 69 -5.514 -5.881 -6.052 314 1HB LYS 69 HB2 LYS 69 -8.277 -6.280 -4.864 315 2HB LYS 69 HB1 LYS 69 -7.084 -7.538 -5.187 316 1HG LYS 69 HG2 LYS 69 -5.530 -6.446 -3.586 317 2HG LYS 69 HG1 LYS 69 -6.771 -5.244 -3.228 318 1HD LYS 69 HD2 LYS 69 -7.321 -8.198 -2.951 319 2HD LYS 69 HD1 LYS 69 -6.599 -7.271 -1.636 320 1HE LYS 69 HE2 LYS 69 -8.527 -6.113 -1.211 321 2HE LYS 69 HE1 LYS 69 -9.001 -6.076 -2.910 322 1HZ LYS 69 HZ1 LYS 69 -9.019 -8.595 -1.368 323 2HZ LYS 69 HZ2 LYS 69 -9.851 -8.221 -2.801 324 3HZ LYS 69 HZ3 LYS 69 -10.342 -7.535 -1.326 325 H LYS 70 HN LYS 70 -7.893 -3.885 -7.283 326 HA LYS 70 HA LYS 70 -9.207 -5.746 -9.078 327 1HB LYS 70 HB2 LYS 70 -9.170 -2.810 -8.648 328 2HB LYS 70 HB1 LYS 70 -9.579 -3.347 -10.278 329 1HG LYS 70 HG2 LYS 70 -11.044 -5.078 -8.705 330 2HG LYS 70 HG1 LYS 70 -11.134 -3.569 -7.795 331 1HD LYS 70 HD2 LYS 70 -12.284 -2.468 -9.461 332 2HD LYS 70 HD1 LYS 70 -11.536 -3.417 -10.746 333 1HE LYS 70 HE2 LYS 70 -13.020 -5.192 -10.487 334 2HE LYS 70 HE1 LYS 70 -13.383 -4.778 -8.811 335 1HZ LYS 70 HZ1 LYS 70 -14.484 -2.745 -9.671 336 2HZ LYS 70 HZ2 LYS 70 -15.246 -4.188 -10.144 337 3HZ LYS 70 HZ3 LYS 70 -14.273 -3.336 -11.247 338 H LYS 71 HN LYS 71 -6.192 -4.024 -9.140 339 HA LYS 71 HA LYS 71 -5.683 -5.159 -11.842 340 1HB LYS 71 HB2 LYS 71 -6.119 -2.402 -11.360 341 2HB LYS 71 HB1 LYS 71 -4.383 -2.595 -11.610 342 1HG LYS 71 HG2 LYS 71 -5.946 -4.189 -13.493 343 2HG LYS 71 HG1 LYS 71 -6.315 -2.468 -13.613 344 1HD LYS 71 HD2 LYS 71 -3.495 -3.575 -13.597 345 2HD LYS 71 HD1 LYS 71 -4.395 -3.219 -15.072 346 1HE LYS 71 HE2 LYS 71 -4.434 -0.907 -14.640 347 2HE LYS 71 HE1 LYS 71 -4.088 -1.130 -12.924 348 1HZ LYS 71 HZ1 LYS 71 -2.252 -1.370 -15.221 349 2HZ LYS 71 HZ2 LYS 71 -1.901 -2.125 -13.741 350 3HZ LYS 71 HZ3 LYS 71 -2.079 -0.438 -13.815 351 H CYS 72 HN CYS 72 -4.669 -6.495 -9.824 352 HA CYS 72 HA CYS 72 -1.819 -5.612 -9.709 353 1HB CYS 72 HB2 CYS 72 -3.249 -5.251 -7.549 354 2HB CYS 72 HB1 CYS 72 -3.110 -7.000 -7.372 355 HG CYS 72 HG CYS 72 -0.965 -5.103 -6.627 356 H GLY 73 HN GLY 73 -3.985 -8.002 -10.590 357 1HA GLY 73 HA2 GLY 73 -3.582 -10.168 -11.418 358 2HA GLY 73 HA1 GLY 73 -1.863 -9.897 -11.134 359 H CYS 74 HN CYS 74 -3.437 -9.172 -8.298 360 HA CYS 74 HA CYS 74 -3.824 -11.868 -7.272 361 1HB CYS 74 HB2 CYS 74 -1.926 -11.297 -5.469 362 2HB CYS 74 HB1 CYS 74 -1.564 -12.174 -6.953 363 HG CYS 74 HG CYS 74 -0.729 -9.899 -8.004 364 H GLY 75 HN GLY 75 -3.573 -11.428 -4.571 365 1HA GLY 75 HA2 GLY 75 -5.003 -8.878 -4.018 366 2HA GLY 75 HA1 GLY 75 -5.764 -10.394 -3.534 367 H GLY 76 HN GLY 76 -5.372 -10.984 -1.469 368 1HA GLY 76 HA2 GLY 76 -3.191 -11.494 -0.038 369 2HA GLY 76 HA1 GLY 76 -3.094 -9.732 -0.036 370 H ALA 77 HN ALA 77 -3.310 -10.337 2.409 371 HA ALA 77 HA ALA 77 -6.075 -10.940 3.238 372 1HB ALA 77 HB1 ALA 77 -3.462 -10.530 4.676 373 2HB ALA 77 HB2 ALA 77 -4.527 -11.936 4.695 374 3HB ALA 77 HB3 ALA 77 -4.981 -10.472 5.569 375 H VAL 78 HN VAL 78 -7.562 -9.365 3.612 376 HA VAL 78 HA VAL 78 -6.611 -6.547 3.678 377 HB VAL 78 HB VAL 78 -9.050 -6.024 3.326 378 1HG1 VAL 78 HG11 VAL 78 -8.454 -7.921 1.144 379 2HG1 VAL 78 HG12 VAL 78 -7.140 -6.807 1.523 380 3HG1 VAL 78 HG13 VAL 78 -8.727 -6.180 1.079 381 1HG2 VAL 78 HG21 VAL 78 -10.592 -7.645 3.601 382 2HG2 VAL 78 HG22 VAL 78 -9.304 -8.753 4.072 383 3HG2 VAL 78 HG23 VAL 78 -9.798 -8.642 2.383 384 H LYS 79 HN LYS 79 -5.917 -6.526 5.893 385 HA LYS 79 HA LYS 79 -7.943 -7.122 7.965 386 1HB LYS 79 HB2 LYS 79 -5.108 -7.182 7.858 387 2HB LYS 79 HB1 LYS 79 -5.544 -5.925 9.017 388 1HG LYS 79 HG2 LYS 79 -5.980 -7.533 10.529 389 2HG LYS 79 HG1 LYS 79 -7.302 -8.087 9.501 390 1HD LYS 79 HD2 LYS 79 -5.607 -9.431 8.193 391 2HD LYS 79 HD1 LYS 79 -4.418 -9.011 9.426 392 1HE LYS 79 HE2 LYS 79 -6.380 -9.892 11.037 393 2HE LYS 79 HE1 LYS 79 -6.763 -10.840 9.600 394 1HZ LYS 79 HZ1 LYS 79 -4.800 -11.962 9.695 395 2HZ LYS 79 HZ2 LYS 79 -5.040 -11.689 11.355 396 3HZ LYS 79 HZ3 LYS 79 -3.972 -10.704 10.474 397 H ASP 80 HN ASP 80 -8.754 -5.510 9.391 398 HA ASP 80 HA ASP 80 -9.089 -2.890 8.213 399 1HB ASP 80 HB2 ASP 80 -10.761 -4.049 9.710 400 2HB ASP 80 HB1 ASP 80 -9.684 -3.715 11.066 401 H GLY 81 HN GLY 81 -6.957 -2.022 8.012 402 1HA GLY 81 HA2 GLY 81 -5.794 -0.168 9.306 403 2HA GLY 81 HA1 GLY 81 -5.648 -1.341 10.616 404 H VAL 82 HN VAL 82 -5.269 -3.313 8.145 405 HA VAL 82 HA VAL 82 -2.552 -2.587 7.295 406 HB VAL 82 HB VAL 82 -3.072 -4.960 9.112 407 1HG1 VAL 82 HG11 VAL 82 -1.142 -4.589 6.996 408 2HG1 VAL 82 HG12 VAL 82 -1.367 -5.982 8.054 409 3HG1 VAL 82 HG13 VAL 82 -0.316 -4.656 8.553 410 1HG2 VAL 82 HG21 VAL 82 -1.214 -3.823 10.423 411 2HG2 VAL 82 HG22 VAL 82 -2.742 -2.942 10.382 412 3HG2 VAL 82 HG23 VAL 82 -1.407 -2.439 9.346 413 H ILE 83 HN ILE 83 -2.487 -3.203 5.191 414 HA ILE 83 HA ILE 83 -4.060 -5.624 4.402 415 HB ILE 83 HB ILE 83 -3.469 -3.116 2.802 416 1HG1 ILE 83 HG12 ILE 83 -6.230 -4.095 3.312 417 2HG1 ILE 83 HG11 ILE 83 -5.376 -3.422 4.701 418 1HG2 ILE 83 HG21 ILE 83 -5.047 -5.593 2.044 419 2HG2 ILE 83 HG22 ILE 83 -3.444 -5.189 1.430 420 3HG2 ILE 83 HG23 ILE 83 -4.822 -4.158 1.044 421 1HD1 ILE 83 HD11 ILE 83 -5.110 -1.318 3.676 422 2HD1 ILE 83 HD12 ILE 83 -6.742 -1.794 3.206 423 3HD1 ILE 83 HD13 ILE 83 -5.409 -1.966 2.063 424 H GLU 84 HN GLU 84 -2.840 -7.255 3.580 425 HA GLU 84 HA GLU 84 0.010 -6.717 2.981 426 1HB GLU 84 HB2 GLU 84 -1.325 -9.418 2.855 427 2HB GLU 84 HB1 GLU 84 0.361 -9.039 3.207 428 1HG GLU 84 HG2 GLU 84 -0.417 -7.894 5.314 429 2HG GLU 84 HG1 GLU 84 -2.035 -8.516 4.986 430 H ILE 85 HN ILE 85 0.604 -6.330 0.908 431 HA ILE 85 HA ILE 85 -1.009 -7.599 -1.269 432 HB ILE 85 HB ILE 85 0.219 -4.824 -1.280 433 1HG1 ILE 85 HG12 ILE 85 -1.831 -5.032 0.115 434 2HG1 ILE 85 HG11 ILE 85 -2.109 -4.045 -1.321 435 1HG2 ILE 85 HG21 ILE 85 -1.676 -5.313 -3.374 436 2HG2 ILE 85 HG22 ILE 85 -0.469 -6.599 -3.401 437 3HG2 ILE 85 HG23 ILE 85 0.036 -4.914 -3.520 438 1HD1 ILE 85 HD11 ILE 85 -2.609 -6.751 -2.048 439 2HD1 ILE 85 HD12 ILE 85 -3.771 -5.430 -1.932 440 3HD1 ILE 85 HD13 ILE 85 -3.455 -6.451 -0.530 441 H GLN 86 HN GLN 86 0.845 -9.217 -0.878 442 HA GLN 86 HA GLN 86 3.550 -8.700 -1.385 443 1HB GLN 86 HB2 GLN 86 3.662 -11.046 -2.244 444 2HB GLN 86 HB1 GLN 86 2.778 -10.918 -0.723 445 1HG GLN 86 HG2 GLN 86 0.913 -11.737 -1.679 446 2HG GLN 86 HG1 GLN 86 0.977 -10.508 -2.944 447 1HE2 GLN 86 HE21 GLN 86 0.217 -13.260 -3.459 448 2HE2 GLN 86 HE22 GLN 86 1.400 -13.941 -4.468 449 H GLY 87 HN GLY 87 4.801 -9.047 -3.411 450 1HA GLY 87 HA2 GLY 87 4.503 -9.333 -5.937 451 2HA GLY 87 HA1 GLY 87 3.253 -8.096 -5.787 452 H ASP 88 HN ASP 88 4.584 -6.838 -7.328 453 HA ASP 88 HA ASP 88 6.503 -5.136 -5.871 454 1HB ASP 88 HB2 ASP 88 7.408 -7.232 -7.557 455 2HB ASP 88 HB1 ASP 88 7.666 -5.726 -8.438 456 H LYS 89 HN LYS 89 5.040 -3.417 -6.209 457 HA LYS 89 HA LYS 89 5.099 -2.283 -8.929 458 1HB LYS 89 HB2 LYS 89 2.637 -3.353 -7.612 459 2HB LYS 89 HB1 LYS 89 2.495 -1.853 -8.530 460 1HG LYS 89 HG2 LYS 89 3.699 -3.059 -10.432 461 2HG LYS 89 HG1 LYS 89 3.440 -4.549 -9.523 462 1HD LYS 89 HD2 LYS 89 1.038 -4.242 -9.585 463 2HD LYS 89 HD1 LYS 89 1.218 -2.645 -10.312 464 1HE LYS 89 HE2 LYS 89 2.356 -3.738 -12.269 465 2HE LYS 89 HE1 LYS 89 1.958 -5.304 -11.563 466 1HZ LYS 89 HZ1 LYS 89 -0.335 -4.866 -11.759 467 2HZ LYS 89 HZ2 LYS 89 0.348 -4.431 -13.253 468 3HZ LYS 89 HZ3 LYS 89 -0.081 -3.231 -12.129 469 H ARG 90 HN ARG 90 6.121 -1.621 -6.205 470 HA ARG 90 HA ARG 90 4.693 0.375 -4.868 471 1HB ARG 90 HB2 ARG 90 7.647 0.080 -5.429 472 2HB ARG 90 HB1 ARG 90 7.020 1.406 -4.450 473 1HG ARG 90 HG2 ARG 90 6.262 -0.021 -2.761 474 2HG ARG 90 HG1 ARG 90 6.193 -1.417 -3.837 475 1HD ARG 90 HD2 ARG 90 8.149 -1.258 -2.112 476 2HD ARG 90 HD1 ARG 90 8.512 -1.750 -3.766 477 HE ARG 90 HE ARG 90 8.720 1.136 -3.314 478 1HH1 ARG 90 HH11 ARG 90 10.368 -1.589 -2.211 479 2HH1 ARG 90 HH12 ARG 90 11.914 -1.115 -2.832 480 1HH2 ARG 90 HH21 ARG 90 10.673 1.612 -4.578 481 2HH2 ARG 90 HH22 ARG 90 12.086 0.697 -4.173 482 H ASP 91 HN ASP 91 6.565 0.647 -7.871 483 HA ASP 91 HA ASP 91 6.516 3.454 -8.178 484 1HB ASP 91 HB2 ASP 91 7.631 1.642 -9.663 485 2HB ASP 91 HB1 ASP 91 6.080 1.579 -10.500 486 H LEU 92 HN LEU 92 4.172 1.106 -9.545 487 HA LEU 92 HA LEU 92 2.321 3.097 -10.424 488 1HB LEU 92 HB2 LEU 92 2.463 0.508 -10.919 489 2HB LEU 92 HB1 LEU 92 1.383 0.390 -9.530 490 HG LEU 92 HG LEU 92 0.283 2.470 -10.987 491 1HD1 LEU 92 HD11 LEU 92 1.429 2.230 -12.997 492 2HD1 LEU 92 HD12 LEU 92 0.060 1.152 -13.270 493 3HD1 LEU 92 HD13 LEU 92 1.624 0.489 -12.797 494 1HD2 LEU 92 HD21 LEU 92 -1.556 1.093 -11.004 495 2HD2 LEU 92 HD22 LEU 92 -0.556 0.137 -9.910 496 3HD2 LEU 92 HD23 LEU 92 -0.646 -0.286 -11.620 497 H LEU 93 HN LEU 93 2.993 1.787 -7.289 498 HA LEU 93 HA LEU 93 0.441 2.349 -6.068 499 1HB LEU 93 HB2 LEU 93 3.071 1.442 -5.222 500 2HB LEU 93 HB1 LEU 93 2.402 2.609 -4.080 501 HG LEU 93 HG LEU 93 1.734 0.263 -3.553 502 1HD1 LEU 93 HD11 LEU 93 0.219 2.521 -3.447 503 2HD1 LEU 93 HD12 LEU 93 -0.315 0.960 -2.822 504 3HD1 LEU 93 HD13 LEU 93 -0.819 1.486 -4.428 505 1HD2 LEU 93 HD21 LEU 93 0.429 -1.026 -5.038 506 2HD2 LEU 93 HD22 LEU 93 1.640 -0.297 -6.092 507 3HD2 LEU 93 HD23 LEU 93 0.010 0.373 -6.026 508 H LYS 94 HN LYS 94 3.466 4.205 -6.374 509 HA LYS 94 HA LYS 94 2.527 6.461 -4.843 510 1HB LYS 94 HB2 LYS 94 4.959 5.792 -5.631 511 2HB LYS 94 HB1 LYS 94 4.546 6.767 -7.042 512 1HG LYS 94 HG2 LYS 94 3.689 8.410 -5.054 513 2HG LYS 94 HG1 LYS 94 5.036 7.609 -4.243 514 1HD LYS 94 HD2 LYS 94 6.437 8.141 -6.299 515 2HD LYS 94 HD1 LYS 94 5.110 9.173 -6.832 516 1HE LYS 94 HE2 LYS 94 5.266 10.348 -4.587 517 2HE LYS 94 HE1 LYS 94 6.760 9.453 -4.311 518 1HZ LYS 94 HZ1 LYS 94 7.548 11.354 -5.277 519 2HZ LYS 94 HZ2 LYS 94 6.188 11.559 -6.275 520 3HZ LYS 94 HZ3 LYS 94 7.352 10.380 -6.652 521 H SER 95 HN SER 95 2.048 5.413 -8.124 522 HA SER 95 HA SER 95 1.274 8.012 -9.169 523 1HB SER 95 HB2 SER 95 1.524 5.295 -10.166 524 2HB SER 95 HB1 SER 95 0.026 6.035 -10.721 525 HG SER 95 HG SER 95 1.187 7.191 -12.021 526 H LEU 96 HN LEU 96 -0.687 5.070 -8.558 527 HA LEU 96 HA LEU 96 -3.210 6.308 -8.749 528 1HB LEU 96 HB2 LEU 96 -4.001 4.443 -7.246 529 2HB LEU 96 HB1 LEU 96 -3.042 3.896 -8.622 530 HG LEU 96 HG LEU 96 -1.058 4.279 -6.834 531 1HD1 LEU 96 HD11 LEU 96 -3.162 4.793 -5.225 532 2HD1 LEU 96 HD12 LEU 96 -1.677 4.045 -4.636 533 3HD1 LEU 96 HD13 LEU 96 -3.074 3.042 -5.028 534 1HD2 LEU 96 HD21 LEU 96 -1.328 2.209 -8.016 535 2HD2 LEU 96 HD22 LEU 96 -2.858 1.871 -7.207 536 3HD2 LEU 96 HD23 LEU 96 -1.347 1.800 -6.301 537 H LEU 97 HN LEU 97 -0.972 6.147 -6.011 538 HA LEU 97 HA LEU 97 -2.752 7.188 -4.029 539 1HB LEU 97 HB2 LEU 97 -0.075 6.373 -4.119 540 2HB LEU 97 HB1 LEU 97 -0.002 8.081 -3.683 541 HG LEU 97 HG LEU 97 -0.203 6.619 -1.683 542 1HD1 LEU 97 HD11 LEU 97 -1.658 8.926 -2.300 543 2HD1 LEU 97 HD12 LEU 97 -1.385 8.266 -0.688 544 3HD1 LEU 97 HD13 LEU 97 -2.847 7.841 -1.578 545 1HD2 LEU 97 HD21 LEU 97 -2.980 5.949 -1.914 546 2HD2 LEU 97 HD22 LEU 97 -1.607 4.858 -1.723 547 3HD2 LEU 97 HD23 LEU 97 -2.141 5.329 -3.336 548 H GLU 98 HN GLU 98 -0.298 8.867 -6.031 549 HA GLU 98 HA GLU 98 -0.993 11.495 -5.144 550 1HB GLU 98 HB2 GLU 98 1.028 10.572 -6.618 551 2HB GLU 98 HB1 GLU 98 -0.026 11.068 -7.943 552 1HG GLU 98 HG2 GLU 98 -0.143 13.330 -7.091 553 2HG GLU 98 HG1 GLU 98 0.726 12.870 -5.626 554 H ALA 99 HN ALA 99 -2.619 9.295 -7.215 555 HA ALA 99 HA ALA 99 -3.986 11.158 -8.918 556 1HB ALA 99 HB1 ALA 99 -5.607 8.847 -8.251 557 2HB ALA 99 HB2 ALA 99 -3.939 8.369 -8.567 558 3HB ALA 99 HB3 ALA 99 -4.846 9.264 -9.787 559 H LYS 100 HN LYS 100 -4.660 9.908 -5.676 560 HA LYS 100 HA LYS 100 -7.269 11.232 -5.547 561 1HB LYS 100 HB2 LYS 100 -5.567 9.656 -3.634 562 2HB LYS 100 HB1 LYS 100 -6.912 10.616 -3.017 563 1HG LYS 100 HG2 LYS 100 -7.992 8.604 -3.439 564 2HG LYS 100 HG1 LYS 100 -8.238 9.431 -4.978 565 1HD LYS 100 HD2 LYS 100 -6.289 8.293 -5.932 566 2HD LYS 100 HD1 LYS 100 -5.970 7.507 -4.386 567 1HE LYS 100 HE2 LYS 100 -7.169 5.977 -5.896 568 2HE LYS 100 HE1 LYS 100 -8.174 6.389 -4.507 569 1HZ LYS 100 HZ1 LYS 100 -9.349 6.517 -6.661 570 2HZ LYS 100 HZ2 LYS 100 -8.305 7.774 -7.129 571 3HZ LYS 100 HZ3 LYS 100 -9.354 7.983 -5.809 572 H GLY 101 HN GLY 101 -3.984 11.836 -4.346 573 1HA GLY 101 HA2 GLY 101 -3.225 14.182 -4.197 574 2HA GLY 101 HA1 GLY 101 -4.861 14.620 -3.705 575 H MET 102 HN MET 102 -3.749 11.697 -2.334 576 HA MET 102 HA MET 102 -3.587 13.006 0.310 577 1HB MET 102 HB2 MET 102 -3.258 10.055 -0.236 578 2HB MET 102 HB1 MET 102 -3.833 10.839 1.235 579 1HG MET 102 HG2 MET 102 -5.691 11.774 -0.447 580 2HG MET 102 HG1 MET 102 -5.285 10.293 -1.315 581 1HE MET 102 HE1 MET 102 -4.736 8.272 -0.177 582 2HE MET 102 HE2 MET 102 -6.407 7.751 -0.376 583 3HE MET 102 HE3 MET 102 -5.608 7.547 1.181 584 H LYS 103 HN LYS 103 -1.753 12.526 1.757 585 HA LYS 103 HA LYS 103 0.792 12.712 0.319 586 1HB LYS 103 HB2 LYS 103 -0.195 13.284 2.997 587 2HB LYS 103 HB1 LYS 103 1.337 12.410 3.051 588 1HG LYS 103 HG2 LYS 103 2.349 14.051 1.528 589 2HG LYS 103 HG1 LYS 103 0.814 14.915 1.422 590 1HD LYS 103 HD2 LYS 103 0.896 15.272 3.896 591 2HD LYS 103 HD1 LYS 103 2.495 14.526 3.915 592 1HE LYS 103 HE2 LYS 103 3.150 16.273 2.148 593 2HE LYS 103 HE1 LYS 103 1.656 17.104 2.582 594 1HZ LYS 103 HZ1 LYS 103 3.594 16.280 4.649 595 2HZ LYS 103 HZ2 LYS 103 2.390 17.475 4.735 596 3HZ LYS 103 HZ3 LYS 103 3.789 17.739 3.808 597 H VAL 104 HN VAL 104 1.912 10.932 -0.295 598 HA VAL 104 HA VAL 104 1.523 8.424 1.291 599 HB VAL 104 HB VAL 104 0.683 8.111 -0.951 600 1HG1 VAL 104 HG11 VAL 104 3.366 9.184 -1.877 601 2HG1 VAL 104 HG12 VAL 104 1.830 10.043 -1.980 602 3HG1 VAL 104 HG13 VAL 104 2.085 8.577 -2.927 603 1HG2 VAL 104 HG21 VAL 104 2.171 6.325 0.063 604 2HG2 VAL 104 HG22 VAL 104 3.495 6.979 -0.901 605 3HG2 VAL 104 HG23 VAL 104 2.080 6.291 -1.698 606 H LYS 105 HN LYS 105 3.382 7.303 1.933 607 HA LYS 105 HA LYS 105 5.963 8.727 1.421 608 1HB LYS 105 HB2 LYS 105 4.797 8.288 3.848 609 2HB LYS 105 HB1 LYS 105 5.803 6.847 3.701 610 1HG LYS 105 HG2 LYS 105 7.738 8.358 3.115 611 2HG LYS 105 HG1 LYS 105 6.708 9.731 3.521 612 1HD LYS 105 HD2 LYS 105 6.355 8.700 5.792 613 2HD LYS 105 HD1 LYS 105 7.566 7.489 5.369 614 1HE LYS 105 HE2 LYS 105 9.280 9.156 5.149 615 2HE LYS 105 HE1 LYS 105 8.103 10.465 5.252 616 1HZ LYS 105 HZ1 LYS 105 8.119 8.594 7.471 617 2HZ LYS 105 HZ2 LYS 105 7.959 10.286 7.474 618 3HZ LYS 105 HZ3 LYS 105 9.496 9.575 7.333 619 H LEU 106 HN LEU 106 6.251 7.432 -0.538 620 HA LEU 106 HA LEU 106 6.140 4.681 -0.837 621 1HB LEU 106 HB2 LEU 106 7.414 6.820 -2.187 622 2HB LEU 106 HB1 LEU 106 8.649 5.587 -1.932 623 HG LEU 106 HG LEU 106 5.910 5.051 -3.115 624 1HD1 LEU 106 HD11 LEU 106 7.819 4.532 -5.050 625 2HD1 LEU 106 HD12 LEU 106 8.428 6.001 -4.287 626 3HD1 LEU 106 HD13 LEU 106 6.806 5.974 -4.981 627 1HD2 LEU 106 HD21 LEU 106 8.260 3.229 -3.402 628 2HD2 LEU 106 HD22 LEU 106 6.545 2.837 -3.284 629 3HD2 LEU 106 HD23 LEU 106 7.452 3.271 -1.835 630 H ALA 107 HN ALA 107 8.386 6.514 1.116 631 HA ALA 107 HA ALA 107 9.950 5.780 2.706 632 1HB ALA 107 HB1 ALA 107 9.588 3.709 3.733 633 2HB ALA 107 HB2 ALA 107 9.085 2.940 2.228 634 3HB ALA 107 HB3 ALA 107 7.999 4.059 3.052 635 H GLY 108 HN GLY 108 11.631 3.629 2.801 636 1HA GLY 108 HA2 GLY 108 12.978 2.228 1.214 637 2HA GLY 108 HA1 GLY 108 12.842 3.560 0.065 638 H GLY 109 HN GLY 109 15.286 3.337 0.141 639 1HA GLY 109 HA2 GLY 109 16.568 5.474 1.299 640 2HA GLY 109 HA1 GLY 109 16.632 4.251 2.569 641 H LEU 110 HN LEU 110 19.050 4.644 2.020 642 HA LEU 110 HA LEU 110 20.247 3.781 -0.379 643 1HB LEU 110 HB2 LEU 110 21.258 4.759 1.881 644 2HB LEU 110 HB1 LEU 110 21.548 3.051 2.215 645 HG LEU 110 HG LEU 110 22.455 3.112 -0.303 646 1HD1 LEU 110 HD11 LEU 110 21.926 5.812 0.174 647 2HD1 LEU 110 HD12 LEU 110 22.934 5.162 -1.120 648 3HD1 LEU 110 HD13 LEU 110 23.669 5.669 0.401 649 1HD2 LEU 110 HD21 LEU 110 23.877 3.934 2.240 650 2HD2 LEU 110 HD22 LEU 110 24.739 3.644 0.729 651 3HD2 LEU 110 HD23 LEU 110 23.832 2.338 1.492 652 H GLU 111 HN GLU 111 19.494 1.898 -1.317 653 HA GLU 111 HA GLU 111 19.564 -0.569 0.374 654 1HB GLU 111 HB2 GLU 111 17.336 0.108 -0.638 655 2HB GLU 111 HB1 GLU 111 18.051 -0.194 -2.222 656 1HG GLU 111 HG2 GLU 111 18.650 -2.518 -1.380 657 2HG GLU 111 HG1 GLU 111 17.631 -2.182 0.020 Start of MODEL 20 1 HA LYS 29 HA LYS 29 -5.527 17.128 15.455 2 1HB LYS 29 HB2 LYS 29 -4.460 14.610 16.761 3 2HB LYS 29 HB1 LYS 29 -3.607 15.687 15.655 4 1HG LYS 29 HG2 LYS 29 -3.538 17.448 17.270 5 2HG LYS 29 HG1 LYS 29 -4.689 16.621 18.320 6 1HD LYS 29 HD2 LYS 29 -3.077 14.854 18.775 7 2HD LYS 29 HD1 LYS 29 -1.936 15.558 17.629 8 1HE LYS 29 HE2 LYS 29 -1.611 17.493 18.997 9 2HE LYS 29 HE1 LYS 29 -2.982 17.078 20.026 10 1HZ LYS 29 HZ1 LYS 29 -0.660 16.536 20.874 11 2HZ LYS 29 HZ2 LYS 29 -0.665 15.267 19.744 12 3HZ LYS 29 HZ3 LYS 29 -1.831 15.314 20.979 13 H GLY 30 HN GLY 30 -5.474 16.165 13.388 14 1HA GLY 30 HA2 GLY 30 -6.672 13.483 13.048 15 2HA GLY 30 HA1 GLY 30 -7.529 14.828 12.294 16 H ASP 31 HN ASP 31 -5.914 12.471 11.180 17 HA ASP 31 HA ASP 31 -4.815 13.853 8.920 18 1HB ASP 31 HB2 ASP 31 -2.420 13.334 9.284 19 2HB ASP 31 HB1 ASP 31 -3.030 14.449 10.507 20 H GLY 32 HN GLY 32 -3.067 12.053 7.890 21 1HA GLY 32 HA2 GLY 32 -3.563 9.302 8.374 22 2HA GLY 32 HA1 GLY 32 -4.722 9.846 7.160 23 H VAL 33 HN VAL 33 -1.966 8.238 7.285 24 HA VAL 33 HA VAL 33 -1.143 9.148 4.604 25 HB VAL 33 HB VAL 33 1.205 9.435 5.221 26 1HG1 VAL 33 HG11 VAL 33 1.016 11.521 6.410 27 2HG1 VAL 33 HG12 VAL 33 -0.508 11.026 7.148 28 3HG1 VAL 33 HG13 VAL 33 -0.433 11.359 5.418 29 1HG2 VAL 33 HG21 VAL 33 0.166 8.529 7.894 30 2HG2 VAL 33 HG22 VAL 33 1.580 9.580 7.822 31 3HG2 VAL 33 HG23 VAL 33 1.610 8.005 7.028 32 H VAL 34 HN VAL 34 -1.133 7.252 3.500 33 HA VAL 34 HA VAL 34 -0.520 4.735 4.924 34 HB VAL 34 HB VAL 34 -1.208 5.036 1.996 35 1HG1 VAL 34 HG11 VAL 34 -2.338 2.764 2.680 36 2HG1 VAL 34 HG12 VAL 34 -1.231 2.841 4.051 37 3HG1 VAL 34 HG13 VAL 34 -0.596 2.817 2.405 38 1HG2 VAL 34 HG21 VAL 34 -3.253 4.544 4.154 39 2HG2 VAL 34 HG22 VAL 34 -3.504 5.096 2.498 40 3HG2 VAL 34 HG23 VAL 34 -2.821 6.192 3.699 41 H ARG 35 HN ARG 35 1.294 3.467 4.475 42 HA ARG 35 HA ARG 35 3.321 4.718 2.662 43 1HB ARG 35 HB2 ARG 35 3.980 4.798 5.043 44 2HB ARG 35 HB1 ARG 35 3.782 3.049 5.154 45 1HG ARG 35 HG2 ARG 35 5.497 2.785 3.354 46 2HG ARG 35 HG1 ARG 35 5.753 4.530 3.390 47 1HD ARG 35 HD2 ARG 35 6.438 4.417 5.732 48 2HD ARG 35 HD1 ARG 35 6.093 2.688 5.775 49 HE ARG 35 HE ARG 35 7.919 2.938 3.710 50 1HH1 ARG 35 HH11 ARG 35 8.530 5.300 5.755 51 2HH1 ARG 35 HH12 ARG 35 9.895 4.603 6.562 52 1HH2 ARG 35 HH21 ARG 35 9.359 1.422 5.289 53 2HH2 ARG 35 HH22 ARG 35 10.365 2.408 6.298 54 H ILE 36 HN ILE 36 3.328 3.516 0.813 55 HA ILE 36 HA ILE 36 3.076 0.551 1.073 56 HB ILE 36 HB ILE 36 2.771 2.230 -1.431 57 1HG1 ILE 36 HG12 ILE 36 0.278 1.201 -0.637 58 2HG1 ILE 36 HG11 ILE 36 0.989 1.866 0.834 59 1HG2 ILE 36 HG21 ILE 36 1.315 -0.031 -1.792 60 2HG2 ILE 36 HG22 ILE 36 2.589 -0.650 -0.741 61 3HG2 ILE 36 HG23 ILE 36 3.005 0.116 -2.274 62 1HD1 ILE 36 HD11 ILE 36 1.410 3.607 -1.472 63 2HD1 ILE 36 HD12 ILE 36 0.732 3.990 0.110 64 3HD1 ILE 36 HD13 ILE 36 -0.302 3.325 -1.155 65 H GLN 37 HN GLN 37 5.265 0.062 1.506 66 HA GLN 37 HA GLN 37 7.373 1.140 -0.231 67 1HB GLN 37 HB2 GLN 37 7.367 0.233 2.350 68 2HB GLN 37 HB1 GLN 37 8.000 -1.175 1.496 69 1HG GLN 37 HG2 GLN 37 9.270 1.107 0.378 70 2HG GLN 37 HG1 GLN 37 9.349 1.280 2.132 71 1HE2 GLN 37 HE21 GLN 37 11.655 0.764 2.189 72 2HE2 GLN 37 HE22 GLN 37 12.213 -0.813 1.905 73 H ARG 38 HN ARG 38 9.006 -0.755 -0.979 74 HA ARG 38 HA ARG 38 7.467 -3.022 -2.122 75 1HB ARG 38 HB2 ARG 38 8.551 -2.571 -4.363 76 2HB ARG 38 HB1 ARG 38 7.338 -1.381 -3.889 77 1HG ARG 38 HG2 ARG 38 8.862 0.279 -3.870 78 2HG ARG 38 HG1 ARG 38 9.964 -0.666 -2.868 79 1HD ARG 38 HD2 ARG 38 11.034 -0.179 -5.010 80 2HD ARG 38 HD1 ARG 38 10.696 -1.906 -4.903 81 HE ARG 38 HE ARG 38 8.458 -0.868 -6.167 82 1HH1 ARG 38 HH11 ARG 38 11.803 -1.358 -6.711 83 2HH1 ARG 38 HH12 ARG 38 11.735 -0.958 -8.395 84 1HH2 ARG 38 HH21 ARG 38 8.380 -0.084 -8.324 85 2HH2 ARG 38 HH22 ARG 38 9.797 -0.236 -9.308 86 H GLN 39 HN GLN 39 8.648 -4.605 -1.083 87 HA GLN 39 HA GLN 39 11.589 -4.401 -0.965 88 1HB GLN 39 HB2 GLN 39 9.786 -5.460 0.768 89 2HB GLN 39 HB1 GLN 39 10.246 -6.909 -0.127 90 1HG GLN 39 HG2 GLN 39 12.656 -6.309 0.279 91 2HG GLN 39 HG1 GLN 39 12.100 -5.005 1.329 92 1HE2 GLN 39 HE21 GLN 39 13.657 -7.373 2.183 93 2HE2 GLN 39 HE22 GLN 39 12.692 -8.200 3.308 94 H THR 40 HN THR 40 12.913 -5.368 -2.435 95 HA THR 40 HA THR 40 11.764 -7.543 -4.132 96 HB THR 40 HB THR 40 12.951 -6.610 -6.072 97 HG1 THR 40 HG1 THR 40 14.565 -5.383 -5.549 98 1HG2 THR 40 HG21 THR 40 10.709 -5.848 -5.905 99 2HG2 THR 40 HG22 THR 40 11.662 -4.392 -6.193 100 3HG2 THR 40 HG23 THR 40 11.094 -4.767 -4.566 101 H SER 41 HN SER 41 13.266 -9.169 -4.732 102 HA SER 41 HA SER 41 15.855 -9.048 -3.238 103 1HB SER 41 HB2 SER 41 14.005 -10.854 -2.736 104 2HB SER 41 HB1 SER 41 14.627 -11.618 -4.196 105 HG SER 41 HG SER 41 15.618 -12.098 -2.007 106 H GLY 42 HN GLY 42 17.750 -9.608 -4.355 107 1HA GLY 42 HA2 GLY 42 19.127 -9.675 -6.261 108 2HA GLY 42 HA1 GLY 42 18.002 -10.918 -6.811 109 H ARG 43 HN ARG 43 18.350 -10.040 -8.998 110 HA ARG 43 HA ARG 43 17.180 -7.358 -9.487 111 1HB ARG 43 HB2 ARG 43 18.505 -9.294 -11.412 112 2HB ARG 43 HB1 ARG 43 18.044 -7.629 -11.769 113 1HG ARG 43 HG2 ARG 43 19.587 -6.817 -10.029 114 2HG ARG 43 HG1 ARG 43 20.042 -8.479 -9.652 115 1HD ARG 43 HD2 ARG 43 20.903 -8.779 -11.934 116 2HD ARG 43 HD1 ARG 43 20.418 -7.134 -12.345 117 HE ARG 43 HE ARG 43 22.131 -7.062 -10.052 118 1HH1 ARG 43 HH21 ARG 43 21.948 -7.032 -13.466 119 2HH1 ARG 43 HH22 ARG 43 23.653 -6.837 -13.702 120 1HH2 ARG 43 HH11 ARG 43 24.418 -7.093 -10.330 121 2HH2 ARG 43 HH12 ARG 43 25.051 -6.871 -11.926 122 H LYS 44 HN LYS 44 15.031 -7.262 -9.900 123 HA LYS 44 HA LYS 44 12.859 -7.995 -10.450 124 1HB LYS 44 HB2 LYS 44 14.467 -7.941 -12.700 125 2HB LYS 44 HB1 LYS 44 13.761 -9.556 -12.766 126 1HG LYS 44 HG2 LYS 44 11.502 -8.516 -12.419 127 2HG LYS 44 HG1 LYS 44 12.263 -6.930 -12.549 128 1HD LYS 44 HD2 LYS 44 13.119 -7.566 -14.805 129 2HD LYS 44 HD1 LYS 44 12.239 -9.090 -14.677 130 1HE LYS 44 HE2 LYS 44 10.128 -7.763 -14.344 131 2HE LYS 44 HE1 LYS 44 11.053 -6.301 -14.685 132 1HZ LYS 44 HZ1 LYS 44 11.430 -6.947 -16.861 133 2HZ LYS 44 HZ2 LYS 44 9.827 -7.449 -16.601 134 3HZ LYS 44 HZ3 LYS 44 11.093 -8.581 -16.555 135 H GLY 45 HN GLY 45 11.926 -10.312 -11.673 136 1HA GLY 45 HA2 GLY 45 12.051 -12.749 -11.461 137 2HA GLY 45 HA1 GLY 45 13.022 -12.529 -10.004 138 H LYS 46 HN LYS 46 11.239 -10.373 -9.006 139 HA LYS 46 HA LYS 46 8.563 -11.390 -8.733 140 1HB LYS 46 HB2 LYS 46 8.851 -11.978 -6.241 141 2HB LYS 46 HB1 LYS 46 9.428 -13.164 -7.411 142 1HG LYS 46 HG2 LYS 46 11.717 -12.309 -7.184 143 2HG LYS 46 HG1 LYS 46 11.157 -11.074 -6.055 144 1HD LYS 46 HD2 LYS 46 10.343 -12.887 -4.541 145 2HD LYS 46 HD1 LYS 46 11.043 -14.075 -5.641 146 1HE LYS 46 HE2 LYS 46 13.270 -12.989 -5.335 147 2HE LYS 46 HE1 LYS 46 12.544 -11.905 -4.148 148 1HZ LYS 46 HZ1 LYS 46 12.262 -14.823 -3.866 149 2HZ LYS 46 HZ2 LYS 46 12.184 -13.619 -2.670 150 3HZ LYS 46 HZ3 LYS 46 13.681 -14.053 -3.347 151 H GLY 47 HN GLY 47 7.499 -10.250 -6.716 152 1HA GLY 47 HA2 GLY 47 8.848 -7.830 -5.792 153 2HA GLY 47 HA1 GLY 47 7.572 -7.510 -6.967 154 H VAL 48 HN VAL 48 7.764 -6.938 -4.000 155 HA VAL 48 HA VAL 48 5.118 -8.120 -3.303 156 HB VAL 48 HB VAL 48 5.893 -8.467 -0.978 157 1HG1 VAL 48 HG11 VAL 48 7.943 -9.885 -2.624 158 2HG1 VAL 48 HG12 VAL 48 6.247 -10.134 -3.040 159 3HG1 VAL 48 HG13 VAL 48 6.826 -10.531 -1.422 160 1HG2 VAL 48 HG21 VAL 48 7.749 -7.378 -0.302 161 2HG2 VAL 48 HG22 VAL 48 8.127 -6.921 -1.963 162 3HG2 VAL 48 HG23 VAL 48 8.703 -8.459 -1.319 163 H CYS 49 HN CYS 49 3.874 -6.774 -1.854 164 HA CYS 49 HA CYS 49 4.978 -4.023 -1.473 165 1HB CYS 49 HB2 CYS 49 2.746 -4.837 -3.114 166 2HB CYS 49 HB1 CYS 49 2.179 -3.798 -1.806 167 HG CYS 49 HG CYS 49 3.801 -2.871 -4.181 168 H LEU 50 HN LEU 50 4.730 -3.292 0.592 169 HA LEU 50 HA LEU 50 2.811 -4.771 2.349 170 1HB LEU 50 HB2 LEU 50 5.421 -3.442 3.143 171 2HB LEU 50 HB1 LEU 50 4.348 -4.350 4.209 172 HG LEU 50 HG LEU 50 4.709 -6.188 2.257 173 1HD1 LEU 50 HD11 LEU 50 6.629 -4.183 1.687 174 2HD1 LEU 50 HD12 LEU 50 6.502 -5.784 0.958 175 3HD1 LEU 50 HD13 LEU 50 7.515 -5.540 2.381 176 1HD2 LEU 50 HD21 LEU 50 5.231 -7.109 4.267 177 2HD2 LEU 50 HD22 LEU 50 5.915 -5.602 4.877 178 3HD2 LEU 50 HD23 LEU 50 6.893 -6.672 3.872 179 H ILE 51 HN ILE 51 1.081 -3.428 2.631 180 HA ILE 51 HA ILE 51 1.570 -0.501 2.846 181 HB ILE 51 HB ILE 51 -0.975 -2.108 2.480 182 1HG1 ILE 51 HG12 ILE 51 -0.791 -0.410 0.370 183 2HG1 ILE 51 HG11 ILE 51 0.922 -0.674 0.700 184 1HG2 ILE 51 HG21 ILE 51 -0.486 0.690 3.291 185 2HG2 ILE 51 HG22 ILE 51 -1.932 -0.301 3.483 186 3HG2 ILE 51 HG23 ILE 51 -1.611 0.501 1.946 187 1HD1 ILE 51 HD11 ILE 51 -0.774 -2.383 -0.727 188 2HD1 ILE 51 HD12 ILE 51 -0.574 -3.163 0.842 189 3HD1 ILE 51 HD13 ILE 51 0.841 -2.767 -0.133 190 H THR 52 HN THR 52 1.665 0.371 4.854 191 HA THR 52 HA THR 52 -0.146 -0.548 6.967 192 HB THR 52 HB THR 52 1.735 -2.164 7.136 193 HG1 THR 52 HG1 THR 52 2.357 -1.372 9.364 194 1HG2 THR 52 HG21 THR 52 3.300 0.399 7.234 195 2HG2 THR 52 HG22 THR 52 3.629 -1.069 6.313 196 3HG2 THR 52 HG23 THR 52 3.914 -1.037 8.054 197 H GLY 53 HN GLY 53 0.219 0.823 8.991 198 1HA GLY 53 HA2 GLY 53 0.802 2.878 10.032 199 2HA GLY 53 HA1 GLY 53 1.742 3.303 8.601 200 H VAL 54 HN VAL 54 -1.701 2.419 8.978 201 HA VAL 54 HA VAL 54 -2.371 4.887 7.445 202 HB VAL 54 HB VAL 54 -4.165 2.520 8.046 203 1HG1 VAL 54 HG11 VAL 54 -5.674 3.480 6.570 204 2HG1 VAL 54 HG12 VAL 54 -4.418 4.352 5.691 205 3HG1 VAL 54 HG13 VAL 54 -4.957 4.933 7.267 206 1HG2 VAL 54 HG21 VAL 54 -2.580 3.070 5.519 207 2HG2 VAL 54 HG22 VAL 54 -3.587 1.661 5.855 208 3HG2 VAL 54 HG23 VAL 54 -2.087 1.907 6.750 209 H ASP 55 HN ASP 55 -3.034 6.572 8.679 210 HA ASP 55 HA ASP 55 -3.969 6.123 11.426 211 1HB ASP 55 HB2 ASP 55 -2.669 8.212 10.104 212 2HB ASP 55 HB1 ASP 55 -4.290 8.838 10.411 213 H LEU 56 HN LEU 56 -5.939 4.920 10.822 214 HA LEU 56 HA LEU 56 -8.200 6.768 10.404 215 1HB LEU 56 HB2 LEU 56 -7.423 4.581 8.490 216 2HB LEU 56 HB1 LEU 56 -9.122 5.008 8.697 217 HG LEU 56 HG LEU 56 -6.915 6.963 7.987 218 1HD1 LEU 56 HD11 LEU 56 -8.354 5.100 6.371 219 2HD1 LEU 56 HD12 LEU 56 -7.232 6.355 5.845 220 3HD1 LEU 56 HD13 LEU 56 -8.952 6.715 5.992 221 1HD2 LEU 56 HD21 LEU 56 -9.534 7.319 9.069 222 2HD2 LEU 56 HD22 LEU 56 -9.572 7.858 7.390 223 3HD2 LEU 56 HD23 LEU 56 -8.411 8.562 8.516 224 H ASP 57 HN ASP 57 -10.327 5.387 10.581 225 HA ASP 57 HA ASP 57 -10.361 4.102 13.103 226 1HB ASP 57 HB2 ASP 57 -12.240 4.557 10.915 227 2HB ASP 57 HB1 ASP 57 -12.511 3.004 11.706 228 H ASP 58 HN ASP 58 -10.991 1.749 13.457 229 HA ASP 58 HA ASP 58 -9.034 0.041 12.160 230 1HB ASP 58 HB2 ASP 58 -11.051 -0.234 14.330 231 2HB ASP 58 HB1 ASP 58 -10.588 -1.718 13.495 232 H ALA 59 HN ALA 59 -12.532 0.508 11.899 233 HA ALA 59 HA ALA 59 -12.907 -1.759 10.111 234 1HB ALA 59 HB1 ALA 59 -14.657 0.636 10.742 235 2HB ALA 59 HB2 ALA 59 -14.792 -0.981 11.433 236 3HB ALA 59 HB3 ALA 59 -15.160 -0.717 9.729 237 H GLU 60 HN GLU 60 -12.151 1.650 9.750 238 HA GLU 60 HA GLU 60 -12.770 1.851 6.946 239 1HB GLU 60 HB2 GLU 60 -11.110 3.428 8.884 240 2HB GLU 60 HB1 GLU 60 -10.932 3.741 7.157 241 1HG GLU 60 HG2 GLU 60 -13.733 3.523 7.993 242 2HG GLU 60 HG1 GLU 60 -12.878 4.844 8.790 243 H LEU 61 HN LEU 61 -9.912 0.803 8.743 244 HA LEU 61 HA LEU 61 -8.133 0.708 6.485 245 1HB LEU 61 HB2 LEU 61 -8.142 -0.265 9.272 246 2HB LEU 61 HB1 LEU 61 -7.197 -1.252 8.157 247 HG LEU 61 HG LEU 61 -6.728 1.546 7.625 248 1HD1 LEU 61 HD11 LEU 61 -6.692 2.422 9.700 249 2HD1 LEU 61 HD12 LEU 61 -5.382 1.308 10.090 250 3HD1 LEU 61 HD13 LEU 61 -7.054 0.851 10.416 251 1HD2 LEU 61 HD21 LEU 61 -4.388 0.514 8.588 252 2HD2 LEU 61 HD22 LEU 61 -4.959 0.278 6.937 253 3HD2 LEU 61 HD23 LEU 61 -5.250 -0.962 8.156 254 H THR 62 HN THR 62 -10.232 -1.743 8.009 255 HA THR 62 HA THR 62 -9.503 -3.912 6.307 256 HB THR 62 HB THR 62 -12.131 -3.313 7.700 257 HG1 THR 62 HG1 THR 62 -11.136 -4.067 9.370 258 1HG2 THR 62 HG21 THR 62 -11.128 -5.728 6.200 259 2HG2 THR 62 HG22 THR 62 -12.677 -4.901 6.040 260 3HG2 THR 62 HG23 THR 62 -12.343 -5.877 7.470 261 H LYS 63 HN LYS 63 -12.060 -1.447 5.996 262 HA LYS 63 HA LYS 63 -13.239 -2.413 3.606 263 1HB LYS 63 HB2 LYS 63 -14.060 -0.502 5.079 264 2HB LYS 63 HB1 LYS 63 -12.857 0.513 4.284 265 1HG LYS 63 HG2 LYS 63 -13.869 0.112 2.115 266 2HG LYS 63 HG1 LYS 63 -14.991 -1.058 2.812 267 1HD LYS 63 HD2 LYS 63 -15.781 0.860 4.334 268 2HD LYS 63 HD1 LYS 63 -14.913 1.931 3.234 269 1HE LYS 63 HE2 LYS 63 -16.223 0.946 1.334 270 2HE LYS 63 HE1 LYS 63 -17.168 0.039 2.515 271 1HZ LYS 63 HZ1 LYS 63 -17.708 2.200 3.575 272 2HZ LYS 63 HZ2 LYS 63 -18.333 2.032 2.005 273 3HZ LYS 63 HZ3 LYS 63 -16.956 2.988 2.275 274 H LEU 64 HN LEU 64 -10.583 -0.052 4.019 275 HA LEU 64 HA LEU 64 -10.070 0.422 1.281 276 1HB LEU 64 HB2 LEU 64 -8.712 0.865 3.802 277 2HB LEU 64 HB1 LEU 64 -7.560 0.384 2.557 278 HG LEU 64 HG LEU 64 -7.925 2.854 2.633 279 1HD1 LEU 64 HD11 LEU 64 -7.873 3.086 0.315 280 2HD1 LEU 64 HD12 LEU 64 -9.125 1.870 0.064 281 3HD1 LEU 64 HD13 LEU 64 -7.488 1.375 0.493 282 1HD2 LEU 64 HD21 LEU 64 -10.614 2.484 1.391 283 2HD2 LEU 64 HD22 LEU 64 -10.006 3.816 2.376 284 3HD2 LEU 64 HD23 LEU 64 -10.502 2.307 3.143 285 H ALA 65 HN ALA 65 -8.877 -2.168 3.408 286 HA ALA 65 HA ALA 65 -7.088 -3.353 1.523 287 1HB ALA 65 HB1 ALA 65 -8.668 -4.645 3.767 288 2HB ALA 65 HB2 ALA 65 -7.052 -3.953 3.901 289 3HB ALA 65 HB3 ALA 65 -7.315 -5.395 2.920 290 H ALA 66 HN ALA 66 -10.565 -3.766 2.071 291 HA ALA 66 HA ALA 66 -10.851 -5.983 0.238 292 1HB ALA 66 HB1 ALA 66 -12.858 -6.001 1.258 293 2HB ALA 66 HB2 ALA 66 -13.292 -4.553 0.350 294 3HB ALA 66 HB3 ALA 66 -12.558 -4.406 1.947 295 H GLU 67 HN GLU 67 -10.903 -2.479 -0.101 296 HA GLU 67 HA GLU 67 -12.003 -2.471 -2.779 297 1HB GLU 67 HB2 GLU 67 -10.409 -0.435 -1.203 298 2HB GLU 67 HB1 GLU 67 -11.016 -0.128 -2.831 299 1HG GLU 67 HG2 GLU 67 -13.318 -0.594 -2.057 300 2HG GLU 67 HG1 GLU 67 -12.707 -0.876 -0.427 301 H LEU 68 HN LEU 68 -8.724 -2.549 -1.433 302 HA LEU 68 HA LEU 68 -7.373 -2.224 -3.958 303 1HB LEU 68 HB2 LEU 68 -6.596 -3.183 -1.225 304 2HB LEU 68 HB1 LEU 68 -5.502 -3.484 -2.576 305 HG LEU 68 HG LEU 68 -6.655 -0.738 -2.123 306 1HD1 LEU 68 HD11 LEU 68 -4.584 -0.208 -0.843 307 2HD1 LEU 68 HD12 LEU 68 -4.170 -1.922 -0.847 308 3HD1 LEU 68 HD13 LEU 68 -5.613 -1.366 0.000 309 1HD2 LEU 68 HD21 LEU 68 -5.192 -0.132 -3.752 310 2HD2 LEU 68 HD22 LEU 68 -5.104 -1.855 -4.116 311 3HD2 LEU 68 HD23 LEU 68 -3.894 -1.112 -3.069 312 H LYS 69 HN LYS 69 -7.935 -5.153 -1.966 313 HA LYS 69 HA LYS 69 -6.937 -7.044 -3.791 314 1HB LYS 69 HB2 LYS 69 -7.793 -7.449 -1.415 315 2HB LYS 69 HB1 LYS 69 -9.413 -7.498 -2.112 316 1HG LYS 69 HG2 LYS 69 -8.175 -9.186 -3.804 317 2HG LYS 69 HG1 LYS 69 -7.181 -9.449 -2.370 318 1HD LYS 69 HD2 LYS 69 -10.209 -9.597 -2.402 319 2HD LYS 69 HD1 LYS 69 -9.142 -10.999 -2.495 320 1HE LYS 69 HE2 LYS 69 -8.082 -10.169 -0.325 321 2HE LYS 69 HE1 LYS 69 -9.435 -9.043 -0.206 322 1HZ LYS 69 HZ1 LYS 69 -10.923 -11.010 -0.432 323 2HZ LYS 69 HZ2 LYS 69 -10.010 -10.982 1.000 324 3HZ LYS 69 HZ3 LYS 69 -9.558 -12.005 -0.279 325 H LYS 70 HN LYS 70 -10.158 -5.543 -3.656 326 HA LYS 70 HA LYS 70 -11.530 -7.043 -5.563 327 1HB LYS 70 HB2 LYS 70 -12.494 -5.103 -4.341 328 2HB LYS 70 HB1 LYS 70 -11.541 -4.016 -5.353 329 1HG LYS 70 HG2 LYS 70 -12.664 -4.905 -7.366 330 2HG LYS 70 HG1 LYS 70 -13.625 -5.982 -6.351 331 1HD LYS 70 HD2 LYS 70 -14.572 -4.017 -5.178 332 2HD LYS 70 HD1 LYS 70 -13.639 -2.951 -6.230 333 1HE LYS 70 HE2 LYS 70 -14.938 -3.419 -8.091 334 2HE LYS 70 HE1 LYS 70 -15.395 -5.016 -7.500 335 1HZ LYS 70 HZ1 LYS 70 -17.278 -3.593 -7.333 336 2HZ LYS 70 HZ2 LYS 70 -16.385 -2.395 -6.525 337 3HZ LYS 70 HZ3 LYS 70 -16.714 -3.876 -5.759 338 H LYS 71 HN LYS 71 -9.295 -4.326 -6.186 339 HA LYS 71 HA LYS 71 -9.212 -5.182 -9.047 340 1HB LYS 71 HB2 LYS 71 -8.186 -2.576 -7.897 341 2HB LYS 71 HB1 LYS 71 -8.505 -2.957 -9.589 342 1HG LYS 71 HG2 LYS 71 -10.904 -3.155 -9.116 343 2HG LYS 71 HG1 LYS 71 -10.607 -2.832 -7.408 344 1HD LYS 71 HD2 LYS 71 -10.532 -0.608 -7.762 345 2HD LYS 71 HD1 LYS 71 -9.383 -0.800 -9.087 346 1HE LYS 71 HE2 LYS 71 -11.245 -1.378 -10.610 347 2HE LYS 71 HE1 LYS 71 -12.388 -1.155 -9.286 348 1HZ LYS 71 HZ1 LYS 71 -10.701 0.875 -10.614 349 2HZ LYS 71 HZ2 LYS 71 -11.387 1.149 -9.084 350 3HZ LYS 71 HZ3 LYS 71 -12.387 0.862 -10.427 351 H CYS 72 HN CYS 72 -7.786 -6.898 -7.645 352 HA CYS 72 HA CYS 72 -4.964 -5.967 -7.969 353 1HB CYS 72 HB2 CYS 72 -6.286 -7.307 -5.656 354 2HB CYS 72 HB1 CYS 72 -4.650 -7.830 -6.061 355 HG CYS 72 HG CYS 72 -4.058 -5.819 -4.690 356 H GLY 73 HN GLY 73 -6.389 -9.113 -7.099 357 1HA GLY 73 HA2 GLY 73 -6.681 -10.767 -9.028 358 2HA GLY 73 HA1 GLY 73 -5.071 -10.245 -9.534 359 H CYS 74 HN CYS 74 -6.437 -11.029 -6.356 360 HA CYS 74 HA CYS 74 -5.966 -13.147 -5.186 361 1HB CYS 74 HB2 CYS 74 -4.416 -13.986 -6.937 362 2HB CYS 74 HB1 CYS 74 -3.194 -12.844 -6.379 363 HG CYS 74 HG CYS 74 -3.207 -14.108 -4.047 364 H GLY 75 HN GLY 75 -6.178 -12.153 -3.233 365 1HA GLY 75 HA2 GLY 75 -4.310 -10.042 -2.407 366 2HA GLY 75 HA1 GLY 75 -5.675 -10.646 -1.466 367 H GLY 76 HN GLY 76 -2.708 -10.266 -0.828 368 1HA GLY 76 HA2 GLY 76 -1.814 -13.024 -0.306 369 2HA GLY 76 HA1 GLY 76 -0.922 -11.555 0.087 370 H ALA 77 HN ALA 77 -1.674 -10.307 1.986 371 HA ALA 77 HA ALA 77 -3.246 -11.973 3.908 372 1HB ALA 77 HB1 ALA 77 -1.661 -11.761 5.571 373 2HB ALA 77 HB2 ALA 77 -1.056 -10.227 4.943 374 3HB ALA 77 HB3 ALA 77 -0.593 -11.742 4.168 375 H VAL 78 HN VAL 78 -4.972 -10.858 4.667 376 HA VAL 78 HA VAL 78 -4.784 -7.873 4.759 377 HB VAL 78 HB VAL 78 -7.167 -9.581 3.977 378 1HG1 VAL 78 HG11 VAL 78 -6.857 -6.660 4.635 379 2HG1 VAL 78 HG12 VAL 78 -8.124 -7.780 5.136 380 3HG1 VAL 78 HG13 VAL 78 -8.081 -7.183 3.477 381 1HG2 VAL 78 HG21 VAL 78 -6.759 -7.794 1.965 382 2HG2 VAL 78 HG22 VAL 78 -6.068 -9.416 1.978 383 3HG2 VAL 78 HG23 VAL 78 -5.100 -8.041 2.510 384 H LYS 79 HN LYS 79 -4.368 -7.782 6.991 385 HA LYS 79 HA LYS 79 -6.543 -8.882 8.728 386 1HB LYS 79 HB2 LYS 79 -3.588 -8.570 9.337 387 2HB LYS 79 HB1 LYS 79 -4.808 -9.039 10.523 388 1HG LYS 79 HG2 LYS 79 -5.277 -11.076 9.401 389 2HG LYS 79 HG1 LYS 79 -4.459 -10.547 7.931 390 1HD LYS 79 HD2 LYS 79 -2.479 -11.317 8.675 391 2HD LYS 79 HD1 LYS 79 -2.654 -10.441 10.196 392 1HE LYS 79 HE2 LYS 79 -4.076 -12.247 11.083 393 2HE LYS 79 HE1 LYS 79 -3.919 -13.123 9.561 394 1HZ LYS 79 HZ1 LYS 79 -1.454 -13.029 9.949 395 2HZ LYS 79 HZ2 LYS 79 -2.325 -14.025 11.015 396 3HZ LYS 79 HZ3 LYS 79 -1.791 -12.494 11.523 397 H ASP 80 HN ASP 80 -7.389 -7.479 10.273 398 HA ASP 80 HA ASP 80 -7.335 -4.699 9.815 399 1HB ASP 80 HB2 ASP 80 -8.773 -6.340 11.450 400 2HB ASP 80 HB1 ASP 80 -7.751 -5.518 12.629 401 H GLY 81 HN GLY 81 -5.216 -3.876 9.653 402 1HA GLY 81 HA2 GLY 81 -3.923 -2.613 11.629 403 2HA GLY 81 HA1 GLY 81 -3.381 -4.262 11.941 404 H VAL 82 HN VAL 82 -3.051 -5.236 9.364 405 HA VAL 82 HA VAL 82 -1.246 -3.316 7.993 406 HB VAL 82 HB VAL 82 -0.390 -6.108 8.813 407 1HG1 VAL 82 HG11 VAL 82 0.821 -5.668 6.879 408 2HG1 VAL 82 HG12 VAL 82 1.874 -4.940 8.091 409 3HG1 VAL 82 HG13 VAL 82 0.795 -3.924 7.136 410 1HG2 VAL 82 HG21 VAL 82 -0.424 -4.693 10.775 411 2HG2 VAL 82 HG22 VAL 82 0.331 -3.367 9.892 412 3HG2 VAL 82 HG23 VAL 82 1.253 -4.828 10.247 413 H ILE 83 HN ILE 83 -0.661 -4.099 5.796 414 HA ILE 83 HA ILE 83 -2.455 -6.245 4.771 415 HB ILE 83 HB ILE 83 -2.141 -3.514 3.487 416 1HG1 ILE 83 HG12 ILE 83 -4.780 -3.754 4.044 417 2HG1 ILE 83 HG11 ILE 83 -4.109 -4.665 5.398 418 1HG2 ILE 83 HG21 ILE 83 -2.758 -4.680 1.646 419 2HG2 ILE 83 HG22 ILE 83 -4.343 -4.805 2.410 420 3HG2 ILE 83 HG23 ILE 83 -3.170 -6.110 2.592 421 1HD1 ILE 83 HD11 ILE 83 -2.650 -2.181 4.885 422 2HD1 ILE 83 HD12 ILE 83 -3.324 -2.794 6.395 423 3HD1 ILE 83 HD13 ILE 83 -4.348 -1.901 5.270 424 H GLU 84 HN GLU 84 -1.630 -7.292 2.887 425 HA GLU 84 HA GLU 84 0.982 -6.371 1.838 426 1HB GLU 84 HB2 GLU 84 1.038 -8.161 3.870 427 2HB GLU 84 HB1 GLU 84 0.865 -9.264 2.504 428 1HG GLU 84 HG2 GLU 84 2.777 -7.943 1.406 429 2HG GLU 84 HG1 GLU 84 3.055 -7.244 3.001 430 H ILE 85 HN ILE 85 0.781 -6.467 -0.342 431 HA ILE 85 HA ILE 85 -0.936 -8.637 -1.486 432 HB ILE 85 HB ILE 85 -0.413 -5.898 -2.680 433 1HG1 ILE 85 HG12 ILE 85 -1.741 -5.803 -0.566 434 2HG1 ILE 85 HG11 ILE 85 -2.691 -5.344 -1.980 435 1HG2 ILE 85 HG21 ILE 85 -2.695 -6.865 -3.807 436 2HG2 ILE 85 HG22 ILE 85 -1.805 -8.366 -3.546 437 3HG2 ILE 85 HG23 ILE 85 -1.093 -7.075 -4.515 438 1HD1 ILE 85 HD11 ILE 85 -3.949 -6.892 -0.515 439 2HD1 ILE 85 HD12 ILE 85 -2.673 -8.095 -0.704 440 3HD1 ILE 85 HD13 ILE 85 -3.640 -7.610 -2.096 441 H GLN 86 HN GLN 86 0.303 -10.110 -2.535 442 HA GLN 86 HA GLN 86 3.055 -9.566 -3.263 443 1HB GLN 86 HB2 GLN 86 1.329 -11.861 -3.074 444 2HB GLN 86 HB1 GLN 86 2.131 -11.868 -4.645 445 1HG GLN 86 HG2 GLN 86 3.975 -12.656 -3.622 446 2HG GLN 86 HG1 GLN 86 4.113 -11.101 -2.801 447 1HE2 GLN 86 HE21 GLN 86 4.988 -12.387 -0.917 448 2HE2 GLN 86 HE22 GLN 86 3.895 -13.165 0.124 449 H GLY 87 HN GLY 87 3.564 -8.319 -4.996 450 1HA GLY 87 HA2 GLY 87 2.904 -8.933 -7.656 451 2HA GLY 87 HA1 GLY 87 1.717 -7.739 -7.127 452 H ASP 88 HN ASP 88 2.413 -5.908 -8.196 453 HA ASP 88 HA ASP 88 4.659 -4.462 -7.175 454 1HB ASP 88 HB2 ASP 88 5.303 -6.379 -9.197 455 2HB ASP 88 HB1 ASP 88 5.473 -4.769 -9.898 456 H LYS 89 HN LYS 89 2.111 -3.644 -7.477 457 HA LYS 89 HA LYS 89 2.046 -2.040 -9.994 458 1HB LYS 89 HB2 LYS 89 -0.125 -2.826 -8.033 459 2HB LYS 89 HB1 LYS 89 -0.375 -1.664 -9.336 460 1HG LYS 89 HG2 LYS 89 0.613 -3.543 -10.862 461 2HG LYS 89 HG1 LYS 89 0.198 -4.611 -9.522 462 1HD LYS 89 HD2 LYS 89 -2.134 -3.793 -9.596 463 2HD LYS 89 HD1 LYS 89 -1.718 -2.746 -10.954 464 1HE LYS 89 HE2 LYS 89 -0.798 -5.378 -11.568 465 2HE LYS 89 HE1 LYS 89 -2.469 -5.505 -11.018 466 1HZ LYS 89 HZ1 LYS 89 -1.379 -3.978 -13.291 467 2HZ LYS 89 HZ2 LYS 89 -2.845 -3.511 -12.571 468 3HZ LYS 89 HZ3 LYS 89 -2.688 -5.057 -13.258 469 H ARG 90 HN ARG 90 3.791 -1.258 -7.868 470 HA ARG 90 HA ARG 90 2.809 0.584 -6.008 471 1HB ARG 90 HB2 ARG 90 5.187 -0.021 -6.148 472 2HB ARG 90 HB1 ARG 90 5.324 0.827 -7.689 473 1HG ARG 90 HG2 ARG 90 4.149 2.656 -5.875 474 2HG ARG 90 HG1 ARG 90 5.499 1.905 -5.022 475 1HD ARG 90 HD2 ARG 90 5.953 2.754 -7.848 476 2HD ARG 90 HD1 ARG 90 5.859 4.017 -6.621 477 HE ARG 90 HE ARG 90 7.613 2.015 -5.645 478 1HH1 ARG 90 HH21 ARG 90 7.528 4.998 -7.160 479 2HH1 ARG 90 HH22 ARG 90 9.147 4.935 -7.774 480 1HH2 ARG 90 HH11 ARG 90 9.638 1.619 -6.884 481 2HH2 ARG 90 HH12 ARG 90 10.341 3.022 -7.618 482 H ASP 91 HN ASP 91 3.281 1.005 -9.488 483 HA ASP 91 HA ASP 91 2.916 3.819 -9.626 484 1HB ASP 91 HB2 ASP 91 3.145 1.685 -11.459 485 2HB ASP 91 HB1 ASP 91 1.625 2.490 -11.846 486 H LEU 92 HN LEU 92 0.522 1.176 -9.683 487 HA LEU 92 HA LEU 92 -1.731 3.008 -9.885 488 1HB LEU 92 HB2 LEU 92 -1.469 0.378 -10.417 489 2HB LEU 92 HB1 LEU 92 -2.127 0.271 -8.783 490 HG LEU 92 HG LEU 92 -3.589 2.278 -10.206 491 1HD1 LEU 92 HD11 LEU 92 -2.670 0.890 -12.178 492 2HD1 LEU 92 HD12 LEU 92 -4.416 1.128 -12.108 493 3HD1 LEU 92 HD13 LEU 92 -3.713 -0.404 -11.589 494 1HD2 LEU 92 HD21 LEU 92 -4.836 -0.363 -9.770 495 2HD2 LEU 92 HD22 LEU 92 -5.319 1.222 -9.166 496 3HD2 LEU 92 HD23 LEU 92 -4.049 0.315 -8.345 497 H LEU 93 HN LEU 93 0.232 1.788 -7.316 498 HA LEU 93 HA LEU 93 -1.690 2.052 -5.179 499 1HB LEU 93 HB2 LEU 93 1.316 1.920 -5.319 500 2HB LEU 93 HB1 LEU 93 0.509 2.285 -3.793 501 HG LEU 93 HG LEU 93 -0.324 -0.085 -5.459 502 1HD1 LEU 93 HD11 LEU 93 2.166 0.295 -3.967 503 2HD1 LEU 93 HD12 LEU 93 1.712 -0.996 -5.080 504 3HD1 LEU 93 HD13 LEU 93 1.230 -1.081 -3.386 505 1HD2 LEU 93 HD21 LEU 93 -0.594 0.787 -2.576 506 2HD2 LEU 93 HD22 LEU 93 -0.896 -0.876 -3.078 507 3HD2 LEU 93 HD23 LEU 93 -1.879 0.435 -3.732 508 H LYS 94 HN LYS 94 0.790 4.233 -6.523 509 HA LYS 94 HA LYS 94 0.282 6.372 -4.664 510 1HB LYS 94 HB2 LYS 94 2.348 6.198 -6.048 511 2HB LYS 94 HB1 LYS 94 1.384 6.540 -7.486 512 1HG LYS 94 HG2 LYS 94 0.692 8.704 -6.491 513 2HG LYS 94 HG1 LYS 94 1.706 8.368 -5.087 514 1HD LYS 94 HD2 LYS 94 3.692 8.245 -6.563 515 2HD LYS 94 HD1 LYS 94 2.672 8.627 -7.950 516 1HE LYS 94 HE2 LYS 94 2.066 10.781 -6.937 517 2HE LYS 94 HE1 LYS 94 3.039 10.400 -5.517 518 1HZ LYS 94 HZ1 LYS 94 4.632 11.472 -6.644 519 2HZ LYS 94 HZ2 LYS 94 3.869 11.271 -8.148 520 3HZ LYS 94 HZ3 LYS 94 4.800 10.012 -7.490 521 H SER 95 HN SER 95 -1.318 5.278 -7.554 522 HA SER 95 HA SER 95 -2.713 7.772 -8.088 523 1HB SER 95 HB2 SER 95 -2.294 5.581 -9.586 524 2HB SER 95 HB1 SER 95 -3.883 5.168 -8.949 525 HG SER 95 HG SER 95 -3.995 6.391 -10.892 526 H LEU 96 HN LEU 96 -3.915 4.610 -6.891 527 HA LEU 96 HA LEU 96 -6.453 5.508 -6.061 528 1HB LEU 96 HB2 LEU 96 -6.402 3.574 -4.473 529 2HB LEU 96 HB1 LEU 96 -5.898 3.134 -6.105 530 HG LEU 96 HG LEU 96 -3.497 3.794 -5.126 531 1HD1 LEU 96 HD11 LEU 96 -3.446 4.040 -2.891 532 2HD1 LEU 96 HD12 LEU 96 -4.133 2.427 -2.693 533 3HD1 LEU 96 HD13 LEU 96 -5.196 3.827 -2.832 534 1HD2 LEU 96 HD21 LEU 96 -5.075 1.297 -5.242 535 2HD2 LEU 96 HD22 LEU 96 -3.659 1.226 -4.194 536 3HD2 LEU 96 HD23 LEU 96 -3.475 1.647 -5.896 537 H LEU 97 HN LEU 97 -3.330 5.720 -4.422 538 HA LEU 97 HA LEU 97 -4.364 6.570 -1.875 539 1HB LEU 97 HB2 LEU 97 -1.872 5.917 -2.850 540 2HB LEU 97 HB1 LEU 97 -1.741 7.663 -2.640 541 HG LEU 97 HG LEU 97 -2.983 6.039 -0.450 542 1HD1 LEU 97 HD11 LEU 97 -0.287 5.681 -1.444 543 2HD1 LEU 97 HD12 LEU 97 -1.106 4.836 -0.131 544 3HD1 LEU 97 HD13 LEU 97 -0.256 6.348 0.189 545 1HD2 LEU 97 HD21 LEU 97 -1.486 7.876 0.764 546 2HD2 LEU 97 HD22 LEU 97 -3.060 8.295 0.086 547 3HD2 LEU 97 HD23 LEU 97 -1.587 8.664 -0.811 548 H GLU 98 HN GLU 98 -3.114 8.388 -4.687 549 HA GLU 98 HA GLU 98 -3.565 10.980 -3.536 550 1HB GLU 98 HB2 GLU 98 -2.186 10.282 -5.651 551 2HB GLU 98 HB1 GLU 98 -3.723 10.471 -6.497 552 1HG GLU 98 HG2 GLU 98 -3.902 12.769 -5.851 553 2HG GLU 98 HG1 GLU 98 -2.578 12.615 -4.695 554 H ALA 99 HN ALA 99 -5.706 8.620 -4.802 555 HA ALA 99 HA ALA 99 -7.786 10.356 -5.771 556 1HB ALA 99 HB1 ALA 99 -7.432 7.717 -5.938 557 2HB ALA 99 HB2 ALA 99 -9.042 8.431 -6.024 558 3HB ALA 99 HB3 ALA 99 -8.467 7.733 -4.510 559 H LYS 100 HN LYS 100 -7.009 9.035 -2.579 560 HA LYS 100 HA LYS 100 -9.442 10.158 -1.383 561 1HB LYS 100 HB2 LYS 100 -7.158 8.489 -0.480 562 2HB LYS 100 HB1 LYS 100 -7.887 9.527 0.746 563 1HG LYS 100 HG2 LYS 100 -9.103 7.474 0.836 564 2HG LYS 100 HG1 LYS 100 -10.147 8.610 -0.019 565 1HD LYS 100 HD2 LYS 100 -9.424 7.702 -2.174 566 2HD LYS 100 HD1 LYS 100 -8.303 6.610 -1.359 567 1HE LYS 100 HE2 LYS 100 -9.962 5.100 -1.190 568 2HE LYS 100 HE1 LYS 100 -10.825 6.220 -0.134 569 1HZ LYS 100 HZ1 LYS 100 -11.650 5.386 -2.588 570 2HZ LYS 100 HZ2 LYS 100 -11.017 6.931 -2.901 571 3HZ LYS 100 HZ3 LYS 100 -12.247 6.733 -1.747 572 H GLY 101 HN GLY 101 -5.988 10.949 -1.536 573 1HA GLY 101 HA2 GLY 101 -5.313 13.312 -1.547 574 2HA GLY 101 HA1 GLY 101 -6.680 13.657 -0.486 575 H MET 102 HN MET 102 -4.836 10.796 0.151 576 HA MET 102 HA MET 102 -3.919 12.002 2.693 577 1HB MET 102 HB2 MET 102 -3.406 9.151 1.886 578 2HB MET 102 HB1 MET 102 -3.683 9.816 3.496 579 1HG MET 102 HG2 MET 102 -6.009 10.454 2.098 580 2HG MET 102 HG1 MET 102 -5.617 8.824 1.551 581 1HE MET 102 HE1 MET 102 -6.259 6.569 3.295 582 2HE MET 102 HE2 MET 102 -5.126 6.799 4.625 583 3HE MET 102 HE3 MET 102 -4.636 7.198 2.980 584 H LYS 103 HN LYS 103 -1.651 11.704 3.373 585 HA LYS 103 HA LYS 103 0.185 12.250 1.150 586 1HB LYS 103 HB2 LYS 103 0.144 12.660 4.032 587 2HB LYS 103 HB1 LYS 103 1.688 11.994 3.497 588 1HG LYS 103 HG2 LYS 103 1.898 13.770 1.818 589 2HG LYS 103 HG1 LYS 103 0.331 14.424 2.293 590 1HD LYS 103 HD2 LYS 103 1.283 14.662 4.645 591 2HD LYS 103 HD1 LYS 103 2.863 14.312 3.944 592 1HE LYS 103 HE2 LYS 103 1.047 16.537 2.978 593 2HE LYS 103 HE1 LYS 103 2.361 16.771 4.130 594 1HZ LYS 103 HZ1 LYS 103 3.642 17.047 2.350 595 2HZ LYS 103 HZ2 LYS 103 2.466 16.436 1.288 596 3HZ LYS 103 HZ3 LYS 103 3.513 15.375 2.102 597 H VAL 104 HN VAL 104 0.816 10.463 0.007 598 HA VAL 104 HA VAL 104 1.185 7.878 1.358 599 HB VAL 104 HB VAL 104 0.215 7.946 -0.905 600 1HG1 VAL 104 HG11 VAL 104 1.320 9.935 -1.764 601 2HG1 VAL 104 HG12 VAL 104 1.719 8.574 -2.811 602 3HG1 VAL 104 HG13 VAL 104 2.897 9.158 -1.636 603 1HG2 VAL 104 HG21 VAL 104 1.630 6.003 -0.155 604 2HG2 VAL 104 HG22 VAL 104 3.005 6.754 -0.964 605 3HG2 VAL 104 HG23 VAL 104 1.609 6.226 -1.904 606 H LYS 105 HN LYS 105 3.191 6.862 1.678 607 HA LYS 105 HA LYS 105 5.571 8.635 1.303 608 1HB LYS 105 HB2 LYS 105 4.640 6.964 3.544 609 2HB LYS 105 HB1 LYS 105 6.345 6.748 3.148 610 1HG LYS 105 HG2 LYS 105 6.787 9.098 3.404 611 2HG LYS 105 HG1 LYS 105 5.066 9.466 3.524 612 1HD LYS 105 HD2 LYS 105 4.910 8.241 5.630 613 2HD LYS 105 HD1 LYS 105 6.600 7.752 5.498 614 1HE LYS 105 HE2 LYS 105 7.343 9.739 6.283 615 2HE LYS 105 HE1 LYS 105 6.241 10.647 5.248 616 1HZ LYS 105 HZ1 LYS 105 4.450 10.164 6.804 617 2HZ LYS 105 HZ2 LYS 105 5.721 10.988 7.573 618 3HZ LYS 105 HZ3 LYS 105 5.525 9.316 7.805 619 H LEU 106 HN LEU 106 5.866 7.752 -0.868 620 HA LEU 106 HA LEU 106 6.012 5.100 -1.662 621 1HB LEU 106 HB2 LEU 106 7.016 7.587 -2.629 622 2HB LEU 106 HB1 LEU 106 8.329 6.413 -2.722 623 HG LEU 106 HG LEU 106 6.977 4.889 -4.011 624 1HD1 LEU 106 HD11 LEU 106 4.805 6.555 -2.923 625 2HD1 LEU 106 HD12 LEU 106 4.785 4.862 -3.415 626 3HD1 LEU 106 HD13 LEU 106 4.602 6.133 -4.623 627 1HD2 LEU 106 HD21 LEU 106 6.499 7.704 -5.043 628 2HD2 LEU 106 HD22 LEU 106 6.551 6.229 -6.009 629 3HD2 LEU 106 HD23 LEU 106 8.014 6.819 -5.220 630 H ALA 107 HN ALA 107 8.213 6.815 0.455 631 HA ALA 107 HA ALA 107 10.033 6.046 1.719 632 1HB ALA 107 HB1 ALA 107 9.513 4.137 2.809 633 2HB ALA 107 HB2 ALA 107 9.587 3.191 1.322 634 3HB ALA 107 HB3 ALA 107 8.099 4.032 1.760 635 H GLY 108 HN GLY 108 11.371 6.798 -0.149 636 1HA GLY 108 HA2 GLY 108 13.095 4.623 -1.081 637 2HA GLY 108 HA1 GLY 108 12.209 5.432 -2.374 638 H GLY 109 HN GLY 109 14.841 5.691 -2.626 639 1HA GLY 109 HA2 GLY 109 15.385 8.423 -2.723 640 2HA GLY 109 HA1 GLY 109 15.987 7.903 -1.148 641 H LEU 110 HN LEU 110 18.078 8.637 -2.287 642 HA LEU 110 HA LEU 110 19.204 7.107 -4.420 643 1HB LEU 110 HB2 LEU 110 20.171 9.039 -2.411 644 2HB LEU 110 HB1 LEU 110 21.390 7.887 -2.958 645 HG LEU 110 HG LEU 110 19.633 9.469 -4.850 646 1HD1 LEU 110 HD11 LEU 110 21.518 10.597 -3.227 647 2HD1 LEU 110 HD12 LEU 110 21.116 11.199 -4.835 648 3HD1 LEU 110 HD13 LEU 110 22.504 10.134 -4.614 649 1HD2 LEU 110 HD21 LEU 110 20.519 8.040 -6.354 650 2HD2 LEU 110 HD22 LEU 110 21.537 7.303 -5.117 651 3HD2 LEU 110 HD23 LEU 110 22.104 8.726 -5.992 652 H GLU 111 HN GLU 111 20.491 5.242 -4.391 653 HA GLU 111 HA GLU 111 21.195 3.148 -3.597 654 1HB GLU 111 HB2 GLU 111 22.660 4.784 -2.264 655 2HB GLU 111 HB1 GLU 111 21.544 4.516 -0.924 656 1HG GLU 111 HG2 GLU 111 21.955 2.046 -1.167 657 2HG GLU 111 HG1 GLU 111 23.204 2.423 -2.354
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