NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617874 | 5lg0 | 25249 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -14.615 36.921 -13.675 2 H2 MET 1 H2 MET 1 -13.674 37.075 -15.026 3 H3 MET 1 H3 MET 1 -14.328 35.612 -14.632 4 HA MET 1 HA MET 1 -12.012 35.626 -14.080 5 HB2 MET 1 2HB MET 1 -12.808 38.219 -12.784 6 HB3 MET 1 3HB MET 1 -11.613 37.234 -11.955 7 HG2 MET 1 2HG MET 1 -10.324 38.584 -13.382 8 HG3 MET 1 3HG MET 1 -10.374 37.003 -14.159 9 HE1 MET 1 1HE MET 1 -12.232 40.958 -15.558 10 HE2 MET 1 2HE MET 1 -12.645 40.279 -13.966 11 HE3 MET 1 3HE MET 1 -10.961 40.704 -14.343 12 H LYS 2 H LYS 2 -12.525 33.650 -13.330 13 HA LYS 2 HA LYS 2 -11.919 32.547 -11.070 14 HB2 LYS 2 3HB LYS 2 -11.715 35.063 -10.135 15 HB3 LYS 2 2HB LYS 2 -10.564 33.846 -9.725 16 HG2 LYS 2 2HG LYS 2 -8.915 34.634 -11.269 17 HG3 LYS 2 3HG LYS 2 -10.056 35.708 -12.054 18 HD2 LYS 2 2HD LYS 2 -8.507 36.913 -10.623 19 HD3 LYS 2 3HD LYS 2 -10.152 37.122 -10.019 20 HE2 LYS 2 2HE LYS 2 -8.424 34.886 -8.925 21 HE3 LYS 2 3HE LYS 2 -8.096 36.542 -8.405 22 HZ1 LYS 2 1HZ LYS 2 -10.285 36.701 -7.517 23 HZ2 LYS 2 2HZ LYS 2 -9.609 35.277 -6.986 24 HZ3 LYS 2 3HZ LYS 2 -10.720 35.229 -8.150 25 H GLN 3 H GLN 3 -8.934 31.944 -13.179 26 HA GLN 3 HA GLN 3 -8.756 30.399 -11.713 27 HB2 GLN 3 2HB GLN 3 -8.014 31.117 -9.871 28 HB3 GLN 3 3HB GLN 3 -8.718 32.667 -10.139 29 HG2 GLN 3 3HG GLN 3 -10.727 31.922 -8.764 30 HG3 GLN 3 2HG GLN 3 -9.844 30.402 -8.452 31 HE21 GLN 3 1HE2 GLN 3 -7.649 31.783 -6.090 32 HE22 GLN 3 2HE2 GLN 3 -7.977 30.423 -7.157 33 H ASP 4 H ASP 4 -11.363 30.403 -9.524 34 HA ASP 4 HA ASP 4 -12.524 28.182 -10.965 35 HB2 ASP 4 2HB ASP 4 -10.682 27.841 -8.559 36 HB3 ASP 4 3HB ASP 4 -11.279 26.596 -9.649 37 H GLY 5 H GLY 5 -13.343 26.859 -8.840 38 HA2 GLY 5 2HA GLY 5 -13.375 28.491 -6.425 39 HA3 GLY 5 3HA GLY 5 -14.891 27.626 -6.827 40 H GLU 6 H GLU 6 -14.757 25.989 -5.335 41 HA GLU 6 HA GLU 6 -14.078 23.926 -4.543 42 HB2 GLU 6 3HB GLU 6 -14.559 22.417 -6.615 43 HB3 GLU 6 2HB GLU 6 -15.736 23.460 -5.908 44 HG2 GLU 6 3HG GLU 6 -15.981 23.547 -8.259 45 HG3 GLU 6 2HG GLU 6 -15.521 25.124 -7.658 46 H GLU 7 H GLU 7 -12.639 22.632 -7.308 47 HA GLU 7 HA GLU 7 -10.683 21.137 -5.978 48 HB2 GLU 7 2HB GLU 7 -13.443 21.370 -4.704 49 HB3 GLU 7 3HB GLU 7 -12.693 19.803 -4.870 50 HG2 GLU 7 2HG GLU 7 -10.728 20.549 -3.572 51 HG3 GLU 7 3HG GLU 7 -11.551 22.080 -3.246 52 H GLY 8 H GLY 8 -10.464 19.709 -7.768 53 HA2 GLY 8 2HA GLY 8 -12.829 18.889 -9.316 54 HA3 GLY 8 3HA GLY 8 -11.201 18.186 -9.402 55 H THR 9 H THR 9 -14.204 18.323 -7.548 56 HA THR 9 HA THR 9 -13.689 15.651 -6.394 57 HB THR 9 HB THR 9 -14.548 16.267 -4.269 58 HG1 THR 9 1HG THR 9 -12.822 17.832 -3.742 59 HG21 THR 9 1HG2 THR 9 -16.082 18.024 -4.699 60 HG22 THR 9 2HG2 THR 9 -14.797 18.743 -3.725 61 HG23 THR 9 3HG2 THR 9 -14.843 19.023 -5.488 62 H GLU 10 H GLU 10 -16.779 14.829 -7.618 63 HA GLU 10 HA GLU 10 -15.560 13.095 -8.021 64 HB2 GLU 10 3HB GLU 10 -13.018 14.710 -8.115 65 HB3 GLU 10 2HB GLU 10 -13.334 13.126 -8.787 66 HG2 GLU 10 2HG GLU 10 -14.939 14.037 -10.377 67 HG3 GLU 10 3HG GLU 10 -14.778 15.656 -9.682 68 H GLU 11 H GLU 11 -13.152 12.083 -7.059 69 HA GLU 11 HA GLU 11 -14.218 11.445 -4.383 70 HB2 GLU 11 2HB GLU 11 -14.838 10.319 -7.120 71 HB3 GLU 11 3HB GLU 11 -14.775 9.173 -5.797 72 HG2 GLU 11 2HG GLU 11 -16.707 9.854 -4.879 73 HG3 GLU 11 3HG GLU 11 -16.353 11.556 -5.076 74 H ASP 12 H ASP 12 -13.469 8.776 -4.447 75 HA ASP 12 HA ASP 12 -11.859 7.508 -3.805 76 HB2 ASP 12 2HB ASP 12 -10.713 7.958 -5.894 77 HB3 ASP 12 3HB ASP 12 -9.878 9.310 -5.133 78 H THR 13 H THR 13 -12.357 7.817 -1.810 79 HA THR 13 HA THR 13 -10.014 8.784 -0.336 80 HB THR 13 HB THR 13 -12.878 9.233 0.502 81 HG1 THR 13 1HG THR 13 -11.539 10.721 -0.923 82 HG21 THR 13 1HG2 THR 13 -10.331 9.788 2.102 83 HG22 THR 13 2HG2 THR 13 -11.951 10.380 2.530 84 HG23 THR 13 3HG2 THR 13 -11.619 8.645 2.555 85 H GLU 14 H GLU 14 -10.248 6.657 -1.577 86 HA GLU 14 HA GLU 14 -11.460 4.409 -0.052 87 HB2 GLU 14 2HB GLU 14 -11.725 5.341 -2.937 88 HB3 GLU 14 3HB GLU 14 -12.152 3.704 -2.437 89 HG2 GLU 14 2HG GLU 14 -13.888 4.487 -0.967 90 HG3 GLU 14 3HG GLU 14 -13.339 6.158 -1.076 91 H GLU 15 H GLU 15 -9.300 5.216 -2.951 92 HA GLU 15 HA GLU 15 -7.548 3.051 -1.989 93 HB2 GLU 15 2HB GLU 15 -7.202 2.297 -4.281 94 HB3 GLU 15 3HB GLU 15 -8.769 1.911 -3.581 95 HG2 GLU 15 2HG GLU 15 -9.825 3.703 -4.918 96 HG3 GLU 15 3HG GLU 15 -8.254 4.085 -5.645 97 H LYS 16 H LYS 16 -6.584 4.855 -1.027 98 HA LYS 16 HA LYS 16 -4.745 6.246 -2.911 99 HB2 LYS 16 2HB LYS 16 -4.482 7.653 -0.565 100 HB3 LYS 16 3HB LYS 16 -5.418 8.151 -1.963 101 HG2 LYS 16 2HG LYS 16 -7.478 7.302 -1.020 102 HG3 LYS 16 3HG LYS 16 -6.578 6.541 0.295 103 HD2 LYS 16 2HD LYS 16 -7.661 8.575 1.090 104 HD3 LYS 16 3HD LYS 16 -5.895 8.786 1.125 105 HE2 LYS 16 2HE LYS 16 -5.957 10.010 -0.986 106 HE3 LYS 16 3HE LYS 16 -7.695 9.681 -1.172 107 HZ1 LYS 16 1HZ LYS 16 -8.096 11.031 0.769 108 HZ2 LYS 16 2HZ LYS 16 -6.479 11.344 0.940 109 HZ3 LYS 16 3HZ LYS 16 -7.303 11.889 -0.379 110 H CYS 17 H CYS 17 -2.707 5.883 -2.657 111 HA CYS 17 HA CYS 17 -1.421 3.745 -1.144 112 HB2 CYS 17 2HB CYS 17 -0.691 4.902 -3.283 113 HB3 CYS 17 3HB CYS 17 -0.400 6.332 -2.358 114 H THR 18 H THR 18 -1.685 3.866 1.132 115 HA THR 18 HA THR 18 -1.757 6.345 2.492 116 HB THR 18 HB THR 18 -2.486 4.037 3.333 117 HG1 THR 18 1HG THR 18 -1.095 5.945 4.897 118 HG21 THR 18 1HG2 THR 18 -0.937 2.813 4.684 119 HG22 THR 18 2HG2 THR 18 -0.124 3.059 3.113 120 HG23 THR 18 3HG2 THR 18 0.320 4.048 4.514 121 H ILE 19 H ILE 19 0.980 4.725 1.088 122 HA ILE 19 HA ILE 19 2.955 5.752 2.920 123 HB ILE 19 HB ILE 19 2.963 4.321 0.258 124 HG12 ILE 19 2HG1 ILE 19 4.135 3.317 2.857 125 HG13 ILE 19 3HG1 ILE 19 2.382 3.278 2.655 126 HG21 ILE 19 1HG2 ILE 19 4.920 5.679 0.195 127 HG22 ILE 19 2HG2 ILE 19 5.298 5.336 1.900 128 HG23 ILE 19 3HG2 ILE 19 5.447 4.054 0.675 129 HD11 ILE 19 1HD1 ILE 19 3.380 1.161 1.942 130 HD12 ILE 19 2HD1 ILE 19 2.577 1.995 0.594 131 HD13 ILE 19 3HD1 ILE 19 4.349 2.018 0.719 132 H CYS 20 H CYS 20 1.848 6.516 -0.437 133 HA CYS 20 HA CYS 20 3.430 9.051 -0.601 134 HB2 CYS 20 2HB CYS 20 1.141 8.021 -2.309 135 HB3 CYS 20 3HB CYS 20 2.212 9.386 -2.640 136 H LEU 21 H LEU 21 0.505 8.015 0.931 137 HA LEU 21 HA LEU 21 -1.474 8.927 1.415 138 HB2 LEU 21 2HB LEU 21 0.262 11.376 1.860 139 HB3 LEU 21 3HB LEU 21 -1.402 11.213 2.433 140 HG LEU 21 HG LEU 21 0.789 9.225 3.182 141 HD11 LEU 21 1HD1 LEU 21 -0.135 11.693 4.669 142 HD12 LEU 21 2HD1 LEU 21 0.965 10.429 5.292 143 HD13 LEU 21 3HD1 LEU 21 1.455 11.419 3.905 144 HD21 LEU 21 1HD2 LEU 21 -1.524 8.408 3.474 145 HD22 LEU 21 2HD2 LEU 21 -0.771 8.710 5.041 146 HD23 LEU 21 3HD2 LEU 21 -1.947 9.875 4.385 147 H SER 22 H SER 22 -1.242 8.591 -1.217 148 HA SER 22 HA SER 22 -2.495 11.017 -2.397 149 HB2 SER 22 2HB SER 22 -0.136 9.480 -3.557 150 HB3 SER 22 3HB SER 22 -1.105 10.665 -4.445 151 HG SER 22 HG SER 22 0.286 11.237 -2.020 152 H ILE 23 H ILE 23 -3.717 10.530 -4.324 153 HA ILE 23 HA ILE 23 -5.399 8.248 -4.088 154 HB ILE 23 HB ILE 23 -4.865 10.317 -6.276 155 HG12 ILE 23 2HG1 ILE 23 -5.439 11.548 -4.265 156 HG13 ILE 23 3HG1 ILE 23 -6.768 11.618 -5.407 157 HG21 ILE 23 1HG2 ILE 23 -6.137 8.921 -7.428 158 HG22 ILE 23 2HG2 ILE 23 -6.965 8.244 -6.011 159 HG23 ILE 23 3HG2 ILE 23 -7.448 9.825 -6.669 160 HD11 ILE 23 1HD1 ILE 23 -7.599 11.239 -3.132 161 HD12 ILE 23 2HD1 ILE 23 -7.945 9.827 -4.147 162 HD13 ILE 23 3HD1 ILE 23 -6.603 9.775 -2.999 163 H LEU 24 H LEU 24 -5.539 6.447 -5.566 164 HA LEU 24 HA LEU 24 -3.271 6.026 -7.420 165 HB2 LEU 24 2HB LEU 24 -5.483 4.190 -6.409 166 HB3 LEU 24 3HB LEU 24 -4.108 3.687 -7.388 167 HG LEU 24 HG LEU 24 -3.792 4.907 -4.586 168 HD11 LEU 24 1HD1 LEU 24 -3.802 2.033 -5.483 169 HD12 LEU 24 2HD1 LEU 24 -3.490 2.653 -3.818 170 HD13 LEU 24 3HD1 LEU 24 -5.083 2.878 -4.584 171 HD21 LEU 24 1HD2 LEU 24 -1.601 3.625 -4.827 172 HD22 LEU 24 2HD2 LEU 24 -1.964 3.544 -6.563 173 HD23 LEU 24 3HD2 LEU 24 -1.808 5.139 -5.781 174 H GLU 25 H GLU 25 -4.276 4.615 -9.335 175 HA GLU 25 HA GLU 25 -6.987 5.632 -10.025 176 HB2 GLU 25 2HB GLU 25 -6.544 6.259 -12.246 177 HB3 GLU 25 3HB GLU 25 -5.390 7.117 -11.218 178 HG2 GLU 25 2HG GLU 25 -3.622 5.532 -11.837 179 HG3 GLU 25 3HG GLU 25 -4.780 4.565 -12.780 180 H GLU 26 H GLU 26 -8.002 4.462 -11.918 181 HA GLU 26 HA GLU 26 -8.027 1.740 -11.139 182 HB2 GLU 26 2HB GLU 26 -10.025 2.972 -11.900 183 HB3 GLU 26 3HB GLU 26 -9.334 3.118 -13.526 184 HG2 GLU 26 2HG GLU 26 -9.344 0.637 -13.748 185 HG3 GLU 26 3HG GLU 26 -9.957 0.491 -12.098 186 H GLY 27 H GLY 27 -6.321 0.465 -11.562 187 HA2 GLY 27 2HA GLY 27 -5.400 -1.132 -13.088 188 HA3 GLY 27 3HA GLY 27 -5.646 -0.002 -14.426 189 H GLU 28 H GLU 28 -4.345 1.616 -11.652 190 HA GLU 28 HA GLU 28 -1.800 2.036 -12.866 191 HB2 GLU 28 2HB GLU 28 -3.150 3.471 -11.232 192 HB3 GLU 28 3HB GLU 28 -2.616 2.383 -9.955 193 HG2 GLU 28 2HG GLU 28 -0.249 3.013 -10.465 194 HG3 GLU 28 3HG GLU 28 -0.820 4.051 -11.782 195 H ASP 29 H ASP 29 0.256 1.456 -11.745 196 HA ASP 29 HA ASP 29 0.493 -1.341 -11.094 197 HB2 ASP 29 2HB ASP 29 2.376 0.994 -10.644 198 HB3 ASP 29 3HB ASP 29 2.795 -0.699 -10.398 199 H VAL 30 H VAL 30 -0.426 -2.126 -9.245 200 HA VAL 30 HA VAL 30 -0.022 -0.668 -6.719 201 HB VAL 30 HB VAL 30 -2.354 -1.178 -6.069 202 HG11 VAL 30 1HG1 VAL 30 -3.431 0.599 -7.343 203 HG12 VAL 30 2HG1 VAL 30 -1.762 1.050 -6.935 204 HG13 VAL 30 3HG1 VAL 30 -2.171 0.521 -8.578 205 HG21 VAL 30 1HG2 VAL 30 -2.780 -1.933 -8.990 206 HG22 VAL 30 2HG2 VAL 30 -2.833 -3.053 -7.610 207 HG23 VAL 30 3HG2 VAL 30 -4.033 -1.758 -7.755 208 H ARG 31 H ARG 31 -0.948 -2.265 -4.932 209 HA ARG 31 HA ARG 31 -0.387 -5.062 -5.515 210 HB2 ARG 31 2HB ARG 31 1.376 -3.168 -4.007 211 HB3 ARG 31 3HB ARG 31 1.075 -4.681 -3.157 212 HG2 ARG 31 2HG ARG 31 2.095 -4.632 -6.019 213 HG3 ARG 31 3HG ARG 31 3.166 -4.534 -4.610 214 HD2 ARG 31 2HD ARG 31 2.175 -6.645 -3.740 215 HD3 ARG 31 3HD ARG 31 1.250 -6.809 -5.251 216 HE ARG 31 HE ARG 31 3.757 -6.494 -6.191 217 HH11 ARG 31 1HH1 ARG 31 5.421 -9.513 -5.492 218 HH12 ARG 31 2HH1 ARG 31 5.437 -8.068 -6.429 219 HH21 ARG 31 1HH2 ARG 31 3.691 -9.868 -3.904 220 HH22 ARG 31 2HH2 ARG 31 2.453 -8.676 -3.734 221 H ARG 32 H ARG 32 -1.044 -6.371 -3.555 222 HA ARG 32 HA ARG 32 -2.851 -4.919 -1.719 223 HB2 ARG 32 2HB ARG 32 -4.375 -6.077 -3.152 224 HB3 ARG 32 3HB ARG 32 -3.294 -7.458 -3.327 225 HG2 ARG 32 2HG ARG 32 -5.195 -8.119 -1.997 226 HG3 ARG 32 3HG ARG 32 -3.738 -8.169 -1.022 227 HD2 ARG 32 2HD ARG 32 -5.021 -7.078 0.493 228 HD3 ARG 32 3HD ARG 32 -4.550 -5.656 -0.415 229 HE ARG 32 HE ARG 32 -6.670 -5.487 -1.333 230 HH11 ARG 32 1HH1 ARG 32 -9.592 -7.058 -0.119 231 HH12 ARG 32 2HH1 ARG 32 -8.973 -5.729 -1.027 232 HH21 ARG 32 1HH2 ARG 32 -8.115 -8.621 0.853 233 HH22 ARG 32 2HH2 ARG 32 -6.418 -8.459 0.575 234 H LEU 33 H LEU 33 -2.618 -5.585 0.429 235 HA LEU 33 HA LEU 33 -0.569 -7.627 1.017 236 HB2 LEU 33 2HB LEU 33 -0.224 -6.031 3.077 237 HB3 LEU 33 3HB LEU 33 0.628 -5.729 1.576 238 HG LEU 33 HG LEU 33 -2.025 -4.346 1.954 239 HD11 LEU 33 1HD1 LEU 33 -0.863 -2.567 3.267 240 HD12 LEU 33 2HD1 LEU 33 -1.002 -4.095 4.144 241 HD13 LEU 33 3HD1 LEU 33 0.551 -3.625 3.413 242 HD21 LEU 33 1HD2 LEU 33 -0.901 -2.535 0.801 243 HD22 LEU 33 2HD2 LEU 33 0.655 -3.381 0.920 244 HD23 LEU 33 3HD2 LEU 33 -0.632 -4.020 -0.118 245 HA PRO 34 HA PRO 34 -3.427 -9.808 2.959 246 HB2 PRO 34 2HB PRO 34 -2.327 -10.855 5.271 247 HB3 PRO 34 3HB PRO 34 -1.872 -11.331 3.607 248 HG2 PRO 34 2HG PRO 34 -0.481 -9.392 5.447 249 HG3 PRO 34 3HG PRO 34 0.235 -10.640 4.369 250 HD2 PRO 34 2HD PRO 34 0.086 -7.975 3.744 251 HD3 PRO 34 3HD PRO 34 0.054 -9.221 2.499 252 H CYS 35 H CYS 35 -2.192 -7.333 5.181 253 HA CYS 35 HA CYS 35 -4.923 -7.086 6.479 254 HB2 CYS 35 2HB CYS 35 -3.254 -6.760 8.094 255 HB3 CYS 35 3HB CYS 35 -2.287 -5.738 7.010 256 H MET 36 H MET 36 -5.156 -7.158 3.928 257 HA MET 36 HA MET 36 -6.179 -6.013 2.254 258 HB2 MET 36 2HB MET 36 -7.816 -5.488 4.763 259 HB3 MET 36 3HB MET 36 -8.406 -5.531 3.087 260 HG2 MET 36 2HG MET 36 -7.247 -7.908 3.060 261 HG3 MET 36 3HG MET 36 -7.409 -7.801 4.808 262 HE1 MET 36 1HE MET 36 -11.300 -7.548 5.264 263 HE2 MET 36 2HE MET 36 -9.714 -7.595 6.068 264 HE3 MET 36 3HE MET 36 -10.182 -6.176 5.100 265 H HIS 37 H HIS 37 -4.249 -4.456 2.303 266 HA HIS 37 HA HIS 37 -5.716 -1.960 1.903 267 HB2 HIS 37 1HB HIS 37 -3.070 -2.168 3.365 268 HB3 HIS 37 2HB HIS 37 -3.553 -0.694 2.522 269 HD2 HIS 37 2HD HIS 37 -5.884 0.515 3.345 270 HE1 HIS 37 1HE HIS 37 -5.816 -1.175 7.258 271 HE2 HIS 37 2HE HIS 37 -6.873 0.626 5.770 272 H LEU 38 H LEU 38 -4.550 -0.564 0.226 273 HA LEU 38 HA LEU 38 -3.325 -2.328 -1.809 274 HB2 LEU 38 2HB LEU 38 -5.679 -2.384 -2.200 275 HB3 LEU 38 3HB LEU 38 -5.855 -0.660 -1.942 276 HG LEU 38 HG LEU 38 -3.952 -1.124 -4.106 277 HD11 LEU 38 1HD1 LEU 38 -5.518 -2.142 -5.729 278 HD12 LEU 38 2HD1 LEU 38 -5.096 -3.285 -4.436 279 HD13 LEU 38 3HD1 LEU 38 -6.678 -2.456 -4.428 280 HD21 LEU 38 1HD2 LEU 38 -5.536 0.324 -5.289 281 HD22 LEU 38 2HD2 LEU 38 -5.363 0.891 -3.609 282 HD23 LEU 38 3HD2 LEU 38 -6.800 -0.025 -4.104 283 H PHE 39 H PHE 39 -1.484 -1.387 -2.310 284 HA PHE 39 HA PHE 39 -1.225 1.603 -2.147 285 HB2 PHE 39 2HB PHE 39 0.710 -0.627 -1.407 286 HB3 PHE 39 3HB PHE 39 1.151 1.064 -1.403 287 HD1 PHE 39 1HD PHE 39 -1.862 1.720 -0.078 288 HD2 PHE 39 2HD PHE 39 1.541 -0.734 0.897 289 HE1 PHE 39 1HE PHE 39 -2.561 1.685 2.275 290 HE2 PHE 39 2HE PHE 39 0.861 -0.733 3.269 291 HZ PHE 39 HZ PHE 39 -1.220 0.443 3.967 292 H HIS 40 H HIS 40 0.710 2.405 -3.470 293 HA HIS 40 HA HIS 40 0.685 1.370 -6.181 294 HB2 HIS 40 1HB HIS 40 2.784 2.972 -4.691 295 HB3 HIS 40 2HB HIS 40 2.893 2.571 -6.395 296 HD2 HIS 40 2HD HIS 40 0.623 3.532 -7.923 297 HE1 HIS 40 1HE HIS 40 0.696 7.167 -5.701 298 HE2 HIS 40 2HE HIS 40 -0.120 6.000 -7.874 299 H GLN 41 H GLN 41 2.167 -0.041 -7.155 300 HA GLN 41 HA GLN 41 3.315 -2.091 -5.576 301 HB2 GLN 41 2HB GLN 41 2.588 -2.141 -7.990 302 HB3 GLN 41 3HB GLN 41 4.087 -1.312 -8.424 303 HG2 GLN 41 2HG GLN 41 5.437 -3.142 -7.704 304 HG3 GLN 41 3HG GLN 41 4.129 -3.869 -6.778 305 HE21 GLN 41 1HE2 GLN 41 1.952 -4.042 -8.570 306 HE22 GLN 41 2HE2 GLN 41 2.494 -4.975 -9.953 307 H VAL 42 H VAL 42 4.798 0.779 -7.132 308 HA VAL 42 HA VAL 42 7.473 0.276 -6.362 309 HB VAL 42 HB VAL 42 6.057 2.942 -6.811 310 HG11 VAL 42 1HG1 VAL 42 8.239 3.277 -5.704 311 HG12 VAL 42 2HG1 VAL 42 9.023 2.217 -6.895 312 HG13 VAL 42 3HG1 VAL 42 8.330 3.776 -7.396 313 HG21 VAL 42 1HG2 VAL 42 5.839 1.472 -8.781 314 HG22 VAL 42 2HG2 VAL 42 7.003 2.755 -9.109 315 HG23 VAL 42 3HG2 VAL 42 7.580 1.120 -8.728 316 H CYS 43 H CYS 43 5.054 2.428 -4.716 317 HA CYS 43 HA CYS 43 6.702 3.186 -2.529 318 HB2 CYS 43 2HB CYS 43 3.706 2.704 -2.487 319 HB3 CYS 43 3HB CYS 43 4.654 3.714 -1.404 320 H VAL 44 H VAL 44 4.477 0.295 -2.798 321 HA VAL 44 HA VAL 44 5.160 -0.363 -0.107 322 HB VAL 44 HB VAL 44 2.967 -0.770 -1.260 323 HG11 VAL 44 1HG1 VAL 44 2.700 -2.929 -2.317 324 HG12 VAL 44 2HG1 VAL 44 3.856 -1.946 -3.249 325 HG13 VAL 44 3HG1 VAL 44 4.450 -3.256 -2.194 326 HG21 VAL 44 1HG2 VAL 44 4.277 -3.090 0.192 327 HG22 VAL 44 2HG2 VAL 44 3.620 -1.635 0.971 328 HG23 VAL 44 3HG2 VAL 44 2.544 -2.742 0.079 329 H ASP 45 H ASP 45 6.688 -1.121 -3.171 330 HA ASP 45 HA ASP 45 8.162 -3.423 -2.278 331 HB2 ASP 45 2HB ASP 45 8.448 -2.807 -4.574 332 HB3 ASP 45 3HB ASP 45 8.882 -1.148 -4.165 333 H GLN 46 H GLN 46 8.941 0.076 -2.140 334 HA GLN 46 HA GLN 46 11.166 -0.262 -0.391 335 HB2 GLN 46 2HB GLN 46 9.315 2.130 -0.851 336 HB3 GLN 46 3HB GLN 46 10.838 2.224 0.042 337 HG2 GLN 46 2HG GLN 46 10.602 1.339 -2.878 338 HG3 GLN 46 3HG GLN 46 11.012 2.967 -2.341 339 HE21 GLN 46 1HE2 GLN 46 12.349 -0.169 -3.090 340 HE22 GLN 46 2HE2 GLN 46 13.958 0.239 -2.519 341 H ALA 47 H ALA 47 7.729 0.074 0.351 342 HA ALA 47 HA ALA 47 8.070 0.472 3.156 343 HB1 ALA 47 1HB ALA 47 5.874 -1.079 1.746 344 HB2 ALA 47 2HB ALA 47 5.772 -0.281 3.330 345 HB3 ALA 47 3HB ALA 47 5.952 0.700 1.849 346 H LEU 48 H LEU 48 7.544 -2.554 1.297 347 HA LEU 48 HA LEU 48 7.683 -4.345 3.451 348 HB2 LEU 48 2HB LEU 48 6.775 -4.758 1.184 349 HB3 LEU 48 3HB LEU 48 8.398 -4.783 0.508 350 HG LEU 48 HG LEU 48 7.582 -6.672 2.750 351 HD11 LEU 48 1HD1 LEU 48 5.906 -6.902 0.961 352 HD12 LEU 48 2HD1 LEU 48 7.201 -7.101 -0.240 353 HD13 LEU 48 3HD1 LEU 48 6.955 -8.325 1.028 354 HD21 LEU 48 1HD2 LEU 48 9.260 -8.176 1.608 355 HD22 LEU 48 2HD2 LEU 48 9.648 -6.849 0.498 356 HD23 LEU 48 3HD2 LEU 48 9.996 -6.707 2.233 357 H ILE 49 H ILE 49 10.282 -3.473 1.097 358 HA ILE 49 HA ILE 49 12.294 -4.995 2.392 359 HB ILE 49 HB ILE 49 13.887 -3.806 1.081 360 HG12 ILE 49 2HG1 ILE 49 12.601 -1.918 -0.460 361 HG13 ILE 49 3HG1 ILE 49 11.990 -1.628 1.189 362 HG21 ILE 49 1HG2 ILE 49 13.048 -4.218 -1.146 363 HG22 ILE 49 2HG2 ILE 49 12.477 -5.483 -0.043 364 HG23 ILE 49 3HG2 ILE 49 11.377 -4.199 -0.581 365 HD11 ILE 49 1HD1 ILE 49 14.909 -1.785 0.380 366 HD12 ILE 49 2HD1 ILE 49 14.006 -0.316 0.818 367 HD13 ILE 49 3HD1 ILE 49 14.308 -1.573 2.040 368 H THR 50 H THR 50 10.971 -1.802 3.248 369 HA THR 50 HA THR 50 13.199 -1.250 4.998 370 HB THR 50 HB THR 50 10.407 -0.061 4.831 371 HG1 THR 50 1HG THR 50 11.791 0.491 3.180 372 HG21 THR 50 1HG2 THR 50 11.317 1.742 6.293 373 HG22 THR 50 2HG2 THR 50 11.155 0.207 7.160 374 HG23 THR 50 3HG2 THR 50 12.757 0.748 6.599 375 H ASN 51 H ASN 51 9.834 -2.551 5.504 376 HA ASN 51 HA ASN 51 10.730 -4.338 7.546 377 HB2 ASN 51 2HB ASN 51 9.973 -1.697 8.445 378 HB3 ASN 51 3HB ASN 51 8.645 -2.763 8.851 379 HD21 ASN 51 1HD2 ASN 51 12.278 -3.091 8.878 380 HD22 ASN 51 2HD2 ASN 51 12.330 -3.657 10.536 381 H LYS 52 H LYS 52 9.418 -6.115 7.139 382 HA LYS 52 HA LYS 52 7.158 -5.839 5.349 383 HB2 LYS 52 2HB LYS 52 8.168 -8.263 6.911 384 HB3 LYS 52 3HB LYS 52 7.009 -8.290 5.581 385 HG2 LYS 52 2HG LYS 52 8.676 -8.369 4.080 386 HG3 LYS 52 3HG LYS 52 9.267 -6.817 4.643 387 HD2 LYS 52 2HD LYS 52 11.122 -8.205 4.874 388 HD3 LYS 52 3HD LYS 52 10.475 -8.181 6.529 389 HE2 LYS 52 2HE LYS 52 9.218 -10.302 6.026 390 HE3 LYS 52 3HE LYS 52 9.862 -10.262 4.378 391 HZ1 LYS 52 1HZ LYS 52 11.056 -11.755 5.607 392 HZ2 LYS 52 2HZ LYS 52 12.067 -10.487 5.311 393 HZ3 LYS 52 3HZ LYS 52 11.414 -10.698 6.822 394 H LYS 53 H LYS 53 5.816 -4.348 6.665 395 HA LYS 53 HA LYS 53 3.702 -6.022 7.689 396 HB2 LYS 53 2HB LYS 53 3.422 -4.603 9.809 397 HB3 LYS 53 3HB LYS 53 4.595 -5.915 9.798 398 HG2 LYS 53 2HG LYS 53 6.381 -4.171 9.250 399 HG3 LYS 53 3HG LYS 53 5.173 -2.932 9.619 400 HD2 LYS 53 2HD LYS 53 5.099 -3.606 11.926 401 HD3 LYS 53 3HD LYS 53 5.813 -5.201 11.553 402 HE2 LYS 53 2HE LYS 53 7.834 -4.010 10.656 403 HE3 LYS 53 3HE LYS 53 7.215 -2.500 11.325 404 HZ1 LYS 53 1HZ LYS 53 7.831 -4.937 12.876 405 HZ2 LYS 53 2HZ LYS 53 8.852 -3.677 12.650 406 HZ3 LYS 53 3HZ LYS 53 7.447 -3.447 13.502 407 H CYS 54 H CYS 54 1.728 -4.898 7.696 408 HA CYS 54 HA CYS 54 1.348 -2.689 5.805 409 HB2 CYS 54 2HB CYS 54 -0.314 -4.464 6.307 410 HB3 CYS 54 3HB CYS 54 -0.354 -3.951 7.991 411 HA PRO 55 HA PRO 55 3.363 -0.211 8.797 412 HB2 PRO 55 2HB PRO 55 2.838 2.376 7.907 413 HB3 PRO 55 3HB PRO 55 4.021 1.250 7.178 414 HG2 PRO 55 2HG PRO 55 1.175 1.788 6.300 415 HG3 PRO 55 3HG PRO 55 2.647 1.661 5.285 416 HD2 PRO 55 2HD PRO 55 0.932 -0.428 5.564 417 HD3 PRO 55 3HD PRO 55 2.706 -0.703 5.514 418 H ILE 56 H ILE 56 0.060 0.958 8.050 419 HA ILE 56 HA ILE 56 -0.363 2.088 10.683 420 HB ILE 56 HB ILE 56 -2.179 1.263 8.388 421 HG12 ILE 56 3HG1 ILE 56 -1.386 3.595 9.643 422 HG13 ILE 56 2HG1 ILE 56 -2.364 3.165 7.918 423 HG21 ILE 56 1HG2 ILE 56 -3.011 2.657 10.966 424 HG22 ILE 56 2HG2 ILE 56 -4.000 2.603 9.488 425 HG23 ILE 56 3HG2 ILE 56 -3.591 1.106 10.326 426 HD11 ILE 56 1HD1 ILE 56 -1.367 5.473 9.045 427 HD12 ILE 56 2HD1 ILE 56 -2.167 5.126 7.524 428 HD13 ILE 56 3HD1 ILE 56 -3.033 4.853 9.052 429 H CYS 57 H CYS 57 -1.134 -1.078 9.148 430 HA CYS 57 HA CYS 57 -2.860 -1.836 11.366 431 HB2 CYS 57 2HB CYS 57 -1.900 -3.936 9.538 432 HB3 CYS 57 3HB CYS 57 -3.512 -3.481 10.068 433 H ARG 58 H ARG 58 0.545 -2.190 10.809 434 HA ARG 58 HA ARG 58 2.206 -3.115 11.961 435 HB2 ARG 58 2HB ARG 58 0.641 -2.413 13.946 436 HB3 ARG 58 3HB ARG 58 0.404 -4.157 14.145 437 HG2 ARG 58 2HG ARG 58 2.896 -4.427 14.335 438 HG3 ARG 58 3HG ARG 58 3.066 -2.667 14.135 439 HD2 ARG 58 2HD ARG 58 1.532 -2.399 16.148 440 HD3 ARG 58 3HD ARG 58 1.667 -4.155 16.391 441 HE ARG 58 HE ARG 58 4.257 -2.968 16.158 442 HH11 ARG 58 1HH1 ARG 58 4.817 -2.547 19.618 443 HH12 ARG 58 2HH1 ARG 58 5.548 -2.546 18.058 444 HH21 ARG 58 1HH2 ARG 58 2.485 -2.946 19.833 445 HH22 ARG 58 2HH2 ARG 58 1.558 -3.238 18.404 446 H VAL 59 H VAL 59 -0.505 -5.146 11.139 447 HA VAL 59 HA VAL 59 0.573 -7.690 11.712 448 HB VAL 59 HB VAL 59 -1.169 -6.956 9.325 449 HG11 VAL 59 1HG1 VAL 59 -0.969 -9.512 10.980 450 HG12 VAL 59 2HG1 VAL 59 -2.116 -9.223 9.655 451 HG13 VAL 59 3HG1 VAL 59 -0.391 -9.296 9.311 452 HG21 VAL 59 1HG2 VAL 59 -3.115 -7.473 10.845 453 HG22 VAL 59 2HG2 VAL 59 -1.991 -7.464 12.219 454 HG23 VAL 59 3HG2 VAL 59 -2.283 -5.987 11.274 455 H ASP 60 H ASP 60 1.864 -9.113 10.524 456 HA ASP 60 HA ASP 60 3.876 -7.960 8.821 457 HB2 ASP 60 2HB ASP 60 4.018 -9.960 10.458 458 HB3 ASP 60 3HB ASP 60 3.305 -10.915 9.161 459 H ILE 61 H ILE 61 4.280 -8.673 6.576 460 HA ILE 61 HA ILE 61 1.802 -9.408 5.113 461 HB ILE 61 HB ILE 61 2.416 -7.875 3.368 462 HG12 ILE 61 2HG1 ILE 61 4.690 -6.978 5.191 463 HG13 ILE 61 3HG1 ILE 61 4.893 -7.923 3.706 464 HG21 ILE 61 1HG2 ILE 61 1.676 -5.893 4.445 465 HG22 ILE 61 2HG2 ILE 61 1.052 -7.204 5.467 466 HG23 ILE 61 3HG2 ILE 61 2.523 -6.344 5.947 467 HD11 ILE 61 1HD1 ILE 61 5.277 -5.653 3.175 468 HD12 ILE 61 2HD1 ILE 61 3.722 -6.161 2.451 469 HD13 ILE 61 3HD1 ILE 61 3.739 -5.136 3.921 470 H GLU 62 H GLU 62 5.075 -10.157 5.577 471 HA GLU 62 HA GLU 62 5.840 -11.217 3.079 472 HB2 GLU 62 2HB GLU 62 7.351 -10.895 4.948 473 HB3 GLU 62 3HB GLU 62 6.559 -12.173 5.881 474 HG2 GLU 62 2HG GLU 62 7.347 -13.884 4.380 475 HG3 GLU 62 3HG GLU 62 7.746 -12.694 3.132 476 H ALA 63 H ALA 63 3.970 -12.090 2.146 477 HA ALA 63 HA ALA 63 2.366 -13.979 3.494 478 HB1 ALA 63 1HB ALA 63 2.435 -13.184 0.553 479 HB2 ALA 63 2HB ALA 63 1.112 -14.049 1.366 480 HB3 ALA 63 3HB ALA 63 1.506 -12.383 1.843 481 H GLN 64 H GLN 64 3.330 -15.864 4.034 482 HA GLN 64 HA GLN 64 3.918 -18.053 3.801 483 HB2 GLN 64 2HB GLN 64 1.645 -17.901 2.719 484 HB3 GLN 64 3HB GLN 64 2.449 -17.815 1.156 485 HG2 GLN 64 2HG GLN 64 3.607 -20.087 2.371 486 HG3 GLN 64 3HG GLN 64 1.941 -20.130 2.931 487 HE21 GLN 64 1HE2 GLN 64 3.811 -19.522 -0.103 488 HE22 GLN 64 2HE2 GLN 64 2.698 -20.427 -1.137 489 H LEU 65 H LEU 65 6.123 -16.659 3.353 490 HA LEU 65 HA LEU 65 7.460 -18.485 1.513 491 HB2 LEU 65 2HB LEU 65 7.101 -15.837 0.755 492 HB3 LEU 65 3HB LEU 65 8.635 -15.745 1.616 493 HG LEU 65 HG LEU 65 9.534 -17.533 0.121 494 HD11 LEU 65 1HD1 LEU 65 7.535 -18.767 -0.554 495 HD12 LEU 65 2HD1 LEU 65 8.271 -18.056 -1.987 496 HD13 LEU 65 3HD1 LEU 65 6.831 -17.302 -1.263 497 HD21 LEU 65 1HD2 LEU 65 9.717 -15.073 -0.420 498 HD22 LEU 65 2HD2 LEU 65 8.273 -15.237 -1.437 499 HD23 LEU 65 3HD2 LEU 65 9.760 -16.125 -1.846 500 HA PRO 66 HA PRO 66 9.022 -19.780 1.634 501 HB2 PRO 66 2HB PRO 66 9.845 -21.761 2.504 502 HB3 PRO 66 3HB PRO 66 11.154 -20.922 3.393 503 HG2 PRO 66 2HG PRO 66 8.236 -21.146 4.179 504 HG3 PRO 66 3HG PRO 66 9.688 -21.472 5.189 505 HD2 PRO 66 2HD PRO 66 8.503 -19.104 5.406 506 HD3 PRO 66 3HD PRO 66 10.281 -19.115 5.183 507 H SER 67 H SER 67 10.919 -17.224 2.777 508 HA SER 67 HA SER 67 13.420 -17.906 1.559 509 HB2 SER 67 2HB SER 67 11.770 -15.753 0.167 510 HB3 SER 67 3HB SER 67 13.419 -16.265 -0.230 511 HG SER 67 HG SER 67 12.195 -18.451 -0.418 512 H GLU 68 H GLU 68 13.674 -14.759 1.069 513 HA GLU 68 HA GLU 68 13.832 -13.917 3.874 514 HB2 GLU 68 2HB GLU 68 16.114 -14.193 1.865 515 HB3 GLU 68 3HB GLU 68 16.212 -13.133 3.277 516 HG2 GLU 68 2HG GLU 68 15.918 -15.009 4.798 517 HG3 GLU 68 3HG GLU 68 15.692 -16.128 3.445 518 H SER 69 H SER 69 14.789 -11.511 3.701 519 HA SER 69 HA SER 69 12.820 -10.054 2.227 520 HB2 SER 69 2HB SER 69 14.396 -10.275 0.378 521 HB3 SER 69 3HB SER 69 14.481 -8.619 1.014 522 HG SER 69 HG SER 69 16.258 -9.331 2.278 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -19.821 35.760 -23.993 2 H2 MET 1 H2 MET 1 -20.557 36.998 -24.798 3 H3 MET 1 H3 MET 1 -21.055 35.444 -25.034 4 HA MET 1 HA MET 1 -19.794 36.180 -26.895 5 HB2 MET 1 2HB MET 1 -17.675 36.689 -24.789 6 HB3 MET 1 3HB MET 1 -17.280 36.438 -26.503 7 HG2 MET 1 2HG MET 1 -18.713 38.282 -27.171 8 HG3 MET 1 3HG MET 1 -19.221 38.550 -25.497 9 HE1 MET 1 1HE MET 1 -17.922 40.723 -27.647 10 HE2 MET 1 2HE MET 1 -18.668 41.096 -26.074 11 HE3 MET 1 3HE MET 1 -17.037 41.696 -26.450 12 H LYS 2 H LYS 2 -17.317 34.461 -24.884 13 HA LYS 2 HA LYS 2 -18.287 31.913 -26.035 14 HB2 LYS 2 2HB LYS 2 -16.613 32.852 -27.551 15 HB3 LYS 2 3HB LYS 2 -15.484 33.124 -26.229 16 HG2 LYS 2 2HG LYS 2 -16.489 30.333 -26.911 17 HG3 LYS 2 3HG LYS 2 -15.170 31.091 -27.804 18 HD2 LYS 2 2HD LYS 2 -13.921 31.395 -25.615 19 HD3 LYS 2 3HD LYS 2 -15.175 30.426 -24.837 20 HE2 LYS 2 2HE LYS 2 -13.583 28.829 -25.278 21 HE3 LYS 2 3HE LYS 2 -14.716 28.626 -26.602 22 HZ1 LYS 2 1HZ LYS 2 -13.211 29.987 -27.971 23 HZ2 LYS 2 2HZ LYS 2 -12.153 30.098 -26.709 24 HZ3 LYS 2 3HZ LYS 2 -12.464 28.637 -27.391 25 H GLN 3 H GLN 3 -18.151 30.259 -24.480 26 HA GLN 3 HA GLN 3 -16.100 30.209 -22.566 27 HB2 GLN 3 2HB GLN 3 -18.413 31.721 -21.753 28 HB3 GLN 3 3HB GLN 3 -18.534 30.181 -20.925 29 HG2 GLN 3 2HG GLN 3 -16.757 30.614 -19.561 30 HG3 GLN 3 3HG GLN 3 -15.789 31.336 -20.846 31 HE21 GLN 3 1HE2 GLN 3 -16.492 33.541 -21.644 32 HE22 GLN 3 2HE2 GLN 3 -17.004 34.659 -20.367 33 H ASP 4 H ASP 4 -16.189 28.194 -21.339 34 HA ASP 4 HA ASP 4 -18.119 26.163 -21.898 35 HB2 ASP 4 2HB ASP 4 -16.475 24.746 -23.190 36 HB3 ASP 4 3HB ASP 4 -17.157 26.090 -24.088 37 H GLY 5 H GLY 5 -17.273 24.071 -20.844 38 HA2 GLY 5 2HA GLY 5 -15.059 23.838 -19.191 39 HA3 GLY 5 3HA GLY 5 -16.286 24.730 -18.257 40 H GLU 6 H GLU 6 -15.623 22.183 -17.351 41 HA GLU 6 HA GLU 6 -18.119 20.869 -17.393 42 HB2 GLU 6 2HB GLU 6 -17.175 20.115 -19.736 43 HB3 GLU 6 3HB GLU 6 -16.040 19.147 -18.795 44 HG2 GLU 6 2HG GLU 6 -18.244 18.349 -17.526 45 HG3 GLU 6 3HG GLU 6 -19.061 18.957 -18.962 46 H GLU 7 H GLU 7 -14.605 20.309 -17.206 47 HA GLU 7 HA GLU 7 -13.218 19.397 -15.765 48 HB2 GLU 7 2HB GLU 7 -15.361 20.267 -13.817 49 HB3 GLU 7 3HB GLU 7 -13.882 19.483 -13.281 50 HG2 GLU 7 2HG GLU 7 -13.808 22.012 -13.280 51 HG3 GLU 7 3HG GLU 7 -12.490 21.194 -14.117 52 H GLY 8 H GLY 8 -16.117 17.753 -16.345 53 HA2 GLY 8 2HA GLY 8 -16.526 15.509 -16.458 54 HA3 GLY 8 3HA GLY 8 -14.781 15.251 -16.253 55 H THR 9 H THR 9 -14.862 13.543 -14.733 56 HA THR 9 HA THR 9 -15.195 14.397 -12.053 57 HB THR 9 HB THR 9 -17.579 13.935 -12.595 58 HG1 THR 9 1HG THR 9 -17.020 13.670 -10.512 59 HG21 THR 9 1HG2 THR 9 -16.623 11.077 -12.927 60 HG22 THR 9 2HG2 THR 9 -18.307 11.646 -12.954 61 HG23 THR 9 3HG2 THR 9 -17.181 12.137 -14.241 62 H GLU 10 H GLU 10 -14.414 12.587 -10.549 63 HA GLU 10 HA GLU 10 -13.277 10.261 -11.717 64 HB2 GLU 10 2HB GLU 10 -11.640 12.553 -11.939 65 HB3 GLU 10 3HB GLU 10 -11.020 11.723 -10.504 66 HG2 GLU 10 2HG GLU 10 -10.869 9.609 -11.797 67 HG3 GLU 10 3HG GLU 10 -11.518 10.424 -13.225 68 H GLU 11 H GLU 11 -11.767 9.257 -9.773 69 HA GLU 11 HA GLU 11 -13.495 9.471 -7.385 70 HB2 GLU 11 2HB GLU 11 -11.670 7.415 -8.566 71 HB3 GLU 11 3HB GLU 11 -11.715 7.498 -6.794 72 HG2 GLU 11 2HG GLU 11 -14.099 7.230 -6.730 73 HG3 GLU 11 3HG GLU 11 -14.246 7.434 -8.479 74 H ASP 12 H ASP 12 -12.683 9.960 -5.302 75 HA ASP 12 HA ASP 12 -9.900 10.661 -4.938 76 HB2 ASP 12 2HB ASP 12 -10.852 12.804 -5.772 77 HB3 ASP 12 3HB ASP 12 -12.133 12.709 -4.556 78 H THR 13 H THR 13 -9.477 10.414 -2.779 79 HA THR 13 HA THR 13 -9.630 9.489 -0.691 80 HB THR 13 HB THR 13 -12.089 11.256 -0.839 81 HG1 THR 13 1HG THR 13 -10.156 12.237 -1.325 82 HG21 THR 13 1HG2 THR 13 -12.374 10.057 1.232 83 HG22 THR 13 2HG2 THR 13 -10.639 10.157 1.608 84 HG23 THR 13 3HG2 THR 13 -11.651 11.623 1.616 85 H GLU 14 H GLU 14 -11.506 8.062 -2.940 86 HA GLU 14 HA GLU 14 -12.517 5.993 -1.085 87 HB2 GLU 14 2HB GLU 14 -12.431 6.345 -4.110 88 HB3 GLU 14 3HB GLU 14 -12.855 4.793 -3.374 89 HG2 GLU 14 2HG GLU 14 -14.304 7.393 -2.713 90 HG3 GLU 14 3HG GLU 14 -14.807 6.304 -4.004 91 H GLU 15 H GLU 15 -10.097 6.144 -3.824 92 HA GLU 15 HA GLU 15 -8.518 4.133 -2.327 93 HB2 GLU 15 2HB GLU 15 -7.700 3.413 -4.534 94 HB3 GLU 15 3HB GLU 15 -9.383 3.057 -4.207 95 HG2 GLU 15 2HG GLU 15 -10.184 4.569 -5.764 96 HG3 GLU 15 3HG GLU 15 -8.736 5.571 -5.743 97 H LYS 16 H LYS 16 -6.938 5.135 -1.334 98 HA LYS 16 HA LYS 16 -5.064 6.718 -2.965 99 HB2 LYS 16 2HB LYS 16 -4.811 8.317 -0.938 100 HB3 LYS 16 3HB LYS 16 -6.175 8.547 -2.044 101 HG2 LYS 16 2HG LYS 16 -7.737 7.586 -0.601 102 HG3 LYS 16 3HG LYS 16 -6.476 6.938 0.459 103 HD2 LYS 16 2HD LYS 16 -7.675 8.904 1.409 104 HD3 LYS 16 3HD LYS 16 -5.927 9.168 1.269 105 HE2 LYS 16 2HE LYS 16 -6.141 10.648 -0.526 106 HE3 LYS 16 3HE LYS 16 -7.721 10.019 -1.008 107 HZ1 LYS 16 1HZ LYS 16 -8.702 11.101 0.878 108 HZ2 LYS 16 2HZ LYS 16 -7.232 11.672 1.395 109 HZ3 LYS 16 3HZ LYS 16 -7.932 12.169 -0.024 110 H CYS 17 H CYS 17 -3.042 6.326 -2.596 111 HA CYS 17 HA CYS 17 -2.044 4.017 -1.137 112 HB2 CYS 17 2HB CYS 17 -1.160 5.123 -3.262 113 HB3 CYS 17 3HB CYS 17 -0.641 6.468 -2.264 114 H THR 18 H THR 18 -1.789 3.982 1.062 115 HA THR 18 HA THR 18 -1.784 6.413 2.589 116 HB THR 18 HB THR 18 -2.496 3.938 3.179 117 HG1 THR 18 1HG THR 18 -2.464 4.659 5.336 118 HG21 THR 18 1HG2 THR 18 -0.090 3.121 3.176 119 HG22 THR 18 2HG2 THR 18 0.186 4.147 4.597 120 HG23 THR 18 3HG2 THR 18 -0.994 2.825 4.682 121 H ILE 19 H ILE 19 0.847 4.620 1.025 122 HA ILE 19 HA ILE 19 2.883 5.648 2.799 123 HB ILE 19 HB ILE 19 2.819 4.110 0.203 124 HG12 ILE 19 2HG1 ILE 19 4.069 3.229 2.816 125 HG13 ILE 19 3HG1 ILE 19 2.310 3.178 2.659 126 HG21 ILE 19 1HG2 ILE 19 4.815 5.423 0.027 127 HG22 ILE 19 2HG2 ILE 19 5.208 5.179 1.747 128 HG23 ILE 19 3HG2 ILE 19 5.329 3.828 0.601 129 HD11 ILE 19 1HD1 ILE 19 4.202 1.863 0.680 130 HD12 ILE 19 2HD1 ILE 19 3.373 1.035 2.018 131 HD13 ILE 19 3HD1 ILE 19 2.433 1.778 0.701 132 H CYS 20 H CYS 20 1.796 6.347 -0.581 133 HA CYS 20 HA CYS 20 3.594 8.726 -0.813 134 HB2 CYS 20 2HB CYS 20 1.275 7.937 -2.596 135 HB3 CYS 20 3HB CYS 20 2.608 9.046 -2.931 136 H LEU 21 H LEU 21 0.606 8.071 0.749 137 HA LEU 21 HA LEU 21 -1.304 9.167 1.110 138 HB2 LEU 21 2HB LEU 21 0.720 11.347 1.684 139 HB3 LEU 21 3HB LEU 21 -0.977 11.420 2.179 140 HG LEU 21 HG LEU 21 0.888 9.144 2.967 141 HD11 LEU 21 1HD1 LEU 21 0.157 11.639 4.529 142 HD12 LEU 21 2HD1 LEU 21 1.045 10.227 5.161 143 HD13 LEU 21 3HD1 LEU 21 1.761 11.214 3.875 144 HD21 LEU 21 1HD2 LEU 21 -1.562 8.628 3.118 145 HD22 LEU 21 2HD2 LEU 21 -0.808 8.705 4.701 146 HD23 LEU 21 3HD2 LEU 21 -1.788 10.073 4.126 147 H SER 22 H SER 22 -1.308 8.825 -1.403 148 HA SER 22 HA SER 22 -2.297 11.332 -2.622 149 HB2 SER 22 2HB SER 22 -0.115 9.557 -3.808 150 HB3 SER 22 3HB SER 22 -0.995 10.807 -4.702 151 HG SER 22 HG SER 22 0.543 11.283 -2.345 152 H ILE 23 H ILE 23 -3.995 10.871 -4.196 153 HA ILE 23 HA ILE 23 -5.383 8.472 -3.965 154 HB ILE 23 HB ILE 23 -5.385 10.883 -5.822 155 HG12 ILE 23 2HG1 ILE 23 -7.385 11.514 -4.657 156 HG13 ILE 23 3HG1 ILE 23 -7.399 9.999 -3.736 157 HG21 ILE 23 1HG2 ILE 23 -7.268 8.496 -5.855 158 HG22 ILE 23 2HG2 ILE 23 -7.717 10.101 -6.485 159 HG23 ILE 23 3HG2 ILE 23 -6.364 9.235 -7.183 160 HD11 ILE 23 1HD1 ILE 23 -5.311 12.180 -3.459 161 HD12 ILE 23 2HD1 ILE 23 -6.733 11.983 -2.417 162 HD13 ILE 23 3HD1 ILE 23 -5.500 10.716 -2.446 163 H LEU 24 H LEU 24 -5.716 6.954 -5.546 164 HA LEU 24 HA LEU 24 -3.416 6.261 -7.295 165 HB2 LEU 24 2HB LEU 24 -5.890 4.747 -6.339 166 HB3 LEU 24 3HB LEU 24 -4.561 4.022 -7.251 167 HG LEU 24 HG LEU 24 -4.168 5.359 -4.526 168 HD11 LEU 24 1HD1 LEU 24 -4.574 2.468 -5.246 169 HD12 LEU 24 2HD1 LEU 24 -4.005 3.071 -3.656 170 HD13 LEU 24 3HD1 LEU 24 -5.611 3.516 -4.245 171 HD21 LEU 24 1HD2 LEU 24 -2.441 3.781 -6.428 172 HD22 LEU 24 2HD2 LEU 24 -2.139 5.348 -5.635 173 HD23 LEU 24 3HD2 LEU 24 -2.100 3.814 -4.693 174 H GLU 25 H GLU 25 -5.024 4.618 -9.084 175 HA GLU 25 HA GLU 25 -7.271 6.095 -9.953 176 HB2 GLU 25 2HB GLU 25 -6.649 6.517 -12.257 177 HB3 GLU 25 3HB GLU 25 -5.493 7.330 -11.197 178 HG2 GLU 25 2HG GLU 25 -3.864 5.528 -11.542 179 HG3 GLU 25 3HG GLU 25 -5.004 4.656 -12.578 180 H GLU 26 H GLU 26 -8.238 4.904 -11.964 181 HA GLU 26 HA GLU 26 -8.648 2.217 -11.248 182 HB2 GLU 26 2HB GLU 26 -10.313 3.480 -12.478 183 HB3 GLU 26 3HB GLU 26 -9.194 3.768 -13.809 184 HG2 GLU 26 2HG GLU 26 -10.840 2.095 -14.431 185 HG3 GLU 26 3HG GLU 26 -9.232 1.388 -14.423 186 H GLY 27 H GLY 27 -7.605 0.413 -11.675 187 HA2 GLY 27 2HA GLY 27 -6.121 -1.119 -12.532 188 HA3 GLY 27 3HA GLY 27 -6.251 -0.208 -14.043 189 H GLU 28 H GLU 28 -4.918 1.544 -11.257 190 HA GLU 28 HA GLU 28 -2.428 1.874 -12.615 191 HB2 GLU 28 2HB GLU 28 -3.752 3.287 -10.755 192 HB3 GLU 28 3HB GLU 28 -2.712 2.382 -9.665 193 HG2 GLU 28 2HG GLU 28 -0.757 3.238 -11.161 194 HG3 GLU 28 3HG GLU 28 -1.938 4.291 -11.917 195 H ASP 29 H ASP 29 -0.306 1.382 -11.511 196 HA ASP 29 HA ASP 29 -0.025 -1.397 -10.898 197 HB2 ASP 29 2HB ASP 29 2.020 0.768 -10.311 198 HB3 ASP 29 3HB ASP 29 2.284 -0.940 -10.534 199 H VAL 30 H VAL 30 -1.147 -2.036 -9.050 200 HA VAL 30 HA VAL 30 -0.288 -0.840 -6.492 201 HB VAL 30 HB VAL 30 -2.537 -0.925 -5.624 202 HG11 VAL 30 1HG1 VAL 30 -1.778 1.143 -6.816 203 HG12 VAL 30 2HG1 VAL 30 -2.604 0.554 -8.272 204 HG13 VAL 30 3HG1 VAL 30 -3.538 0.921 -6.822 205 HG21 VAL 30 1HG2 VAL 30 -3.423 -1.830 -8.400 206 HG22 VAL 30 2HG2 VAL 30 -3.487 -2.798 -6.908 207 HG23 VAL 30 3HG2 VAL 30 -4.498 -1.356 -7.076 208 H ARG 31 H ARG 31 -1.109 -2.392 -4.699 209 HA ARG 31 HA ARG 31 -0.801 -5.175 -5.480 210 HB2 ARG 31 2HB ARG 31 1.330 -3.456 -4.333 211 HB3 ARG 31 3HB ARG 31 0.999 -4.842 -3.301 212 HG2 ARG 31 2HG ARG 31 1.437 -6.398 -5.129 213 HG3 ARG 31 3HG ARG 31 1.679 -5.044 -6.263 214 HD2 ARG 31 2HD ARG 31 3.543 -4.206 -4.942 215 HD3 ARG 31 3HD ARG 31 3.259 -5.418 -3.680 216 HE ARG 31 HE ARG 31 3.729 -6.890 -5.980 217 HH11 ARG 31 1HH1 ARG 31 7.273 -6.923 -5.693 218 HH12 ARG 31 2HH1 ARG 31 5.914 -7.788 -6.340 219 HH21 ARG 31 1HH2 ARG 31 7.012 -5.026 -4.450 220 HH22 ARG 31 2HH2 ARG 31 5.460 -4.348 -4.182 221 H ARG 32 H ARG 32 -0.947 -6.489 -3.255 222 HA ARG 32 HA ARG 32 -2.808 -5.082 -1.443 223 HB2 ARG 32 2HB ARG 32 -3.765 -6.556 -3.501 224 HB3 ARG 32 3HB ARG 32 -3.417 -7.886 -2.400 225 HG2 ARG 32 2HG ARG 32 -5.254 -5.500 -1.949 226 HG3 ARG 32 3HG ARG 32 -5.711 -7.195 -2.174 227 HD2 ARG 32 2HD ARG 32 -4.134 -7.502 -0.008 228 HD3 ARG 32 3HD ARG 32 -4.583 -5.836 0.270 229 HE ARG 32 HE ARG 32 -6.184 -8.167 0.625 230 HH11 ARG 32 1HH1 ARG 32 -9.316 -6.537 0.754 231 HH12 ARG 32 2HH1 ARG 32 -8.484 -8.029 0.980 232 HH21 ARG 32 1HH2 ARG 32 -8.117 -4.625 -0.013 233 HH22 ARG 32 2HH2 ARG 32 -6.416 -4.770 -0.289 234 H LEU 33 H LEU 33 -2.478 -5.772 0.726 235 HA LEU 33 HA LEU 33 -0.467 -7.910 1.114 236 HB2 LEU 33 2HB LEU 33 -0.837 -6.141 3.384 237 HB3 LEU 33 3HB LEU 33 0.652 -6.567 2.534 238 HG LEU 33 HG LEU 33 -1.288 -4.432 1.605 239 HD11 LEU 33 1HD1 LEU 33 1.319 -4.097 3.159 240 HD12 LEU 33 2HD1 LEU 33 0.191 -2.830 2.632 241 HD13 LEU 33 3HD1 LEU 33 -0.293 -3.985 3.881 242 HD21 LEU 33 1HD2 LEU 33 1.676 -4.820 0.951 243 HD22 LEU 33 2HD2 LEU 33 0.393 -5.380 -0.114 244 HD23 LEU 33 3HD2 LEU 33 0.542 -3.651 0.221 245 HA PRO 34 HA PRO 34 -3.187 -10.367 3.267 246 HB2 PRO 34 2HB PRO 34 -2.007 -11.000 5.697 247 HB3 PRO 34 3HB PRO 34 -1.506 -11.671 4.117 248 HG2 PRO 34 2HG PRO 34 -0.215 -9.468 5.710 249 HG3 PRO 34 3HG PRO 34 0.544 -10.733 4.695 250 HD2 PRO 34 2HD PRO 34 0.084 -8.096 3.978 251 HD3 PRO 34 3HD PRO 34 0.343 -9.386 2.793 252 H CYS 35 H CYS 35 -1.923 -7.692 5.251 253 HA CYS 35 HA CYS 35 -4.295 -7.535 7.019 254 HB2 CYS 35 2HB CYS 35 -2.919 -5.992 8.117 255 HB3 CYS 35 3HB CYS 35 -1.820 -7.284 7.611 256 H MET 36 H MET 36 -4.830 -7.301 4.262 257 HA MET 36 HA MET 36 -5.822 -6.142 2.694 258 HB2 MET 36 2HB MET 36 -8.094 -5.485 3.347 259 HB3 MET 36 3HB MET 36 -7.598 -7.079 3.917 260 HG2 MET 36 2HG MET 36 -7.178 -6.194 6.158 261 HG3 MET 36 3HG MET 36 -7.628 -4.566 5.629 262 HE1 MET 36 1HE MET 36 -10.439 -6.122 8.069 263 HE2 MET 36 2HE MET 36 -8.795 -6.792 7.981 264 HE3 MET 36 3HE MET 36 -9.037 -5.027 7.993 265 H HIS 37 H HIS 37 -3.910 -4.760 2.717 266 HA HIS 37 HA HIS 37 -4.940 -1.972 2.698 267 HB2 HIS 37 1HB HIS 37 -2.347 -3.104 3.681 268 HB3 HIS 37 2HB HIS 37 -2.262 -1.591 2.782 269 HD2 HIS 37 2HD HIS 37 -3.992 0.406 3.652 270 HE1 HIS 37 1HE HIS 37 -3.965 -0.842 7.716 271 HE2 HIS 37 2HE HIS 37 -4.519 1.079 6.126 272 H LEU 38 H LEU 38 -4.369 -0.719 0.812 273 HA LEU 38 HA LEU 38 -3.609 -2.338 -1.566 274 HB2 LEU 38 2HB LEU 38 -6.062 -1.781 -1.352 275 HB3 LEU 38 3HB LEU 38 -5.669 -0.077 -1.409 276 HG LEU 38 HG LEU 38 -4.745 -1.953 -3.617 277 HD11 LEU 38 1HD1 LEU 38 -7.164 -2.382 -3.320 278 HD12 LEU 38 2HD1 LEU 38 -7.489 -0.632 -3.402 279 HD13 LEU 38 3HD1 LEU 38 -6.860 -1.489 -4.819 280 HD21 LEU 38 1HD2 LEU 38 -5.082 0.079 -5.021 281 HD22 LEU 38 2HD2 LEU 38 -5.600 0.979 -3.591 282 HD23 LEU 38 3HD2 LEU 38 -3.922 0.394 -3.725 283 H PHE 39 H PHE 39 -1.566 -1.611 -2.001 284 HA PHE 39 HA PHE 39 -0.950 1.297 -1.624 285 HB2 PHE 39 2HB PHE 39 0.682 -1.177 -0.919 286 HB3 PHE 39 3HB PHE 39 1.359 0.435 -0.982 287 HD1 PHE 39 1HD PHE 39 -1.659 1.277 0.467 288 HD2 PHE 39 2HD PHE 39 1.864 -1.024 1.369 289 HE1 PHE 39 1HE PHE 39 -2.157 1.450 2.852 290 HE2 PHE 39 2HE PHE 39 1.412 -0.761 3.784 291 HZ PHE 39 HZ PHE 39 -0.638 0.425 4.541 292 H HIS 40 H HIS 40 0.670 2.086 -3.181 293 HA HIS 40 HA HIS 40 0.467 0.982 -5.825 294 HB2 HIS 40 1HB HIS 40 2.574 2.714 -4.538 295 HB3 HIS 40 2HB HIS 40 2.715 2.197 -6.200 296 HD2 HIS 40 2HD HIS 40 0.497 2.957 -7.859 297 HE1 HIS 40 1HE HIS 40 0.341 6.715 -5.861 298 HE2 HIS 40 2HE HIS 40 -0.358 5.408 -7.961 299 H GLN 41 H GLN 41 2.059 -0.152 -7.046 300 HA GLN 41 HA GLN 41 3.576 -2.223 -5.824 301 HB2 GLN 41 2HB GLN 41 3.363 -0.935 -8.532 302 HB3 GLN 41 3HB GLN 41 4.756 -1.974 -8.235 303 HG2 GLN 41 2HG GLN 41 3.363 -3.816 -7.534 304 HG3 GLN 41 3HG GLN 41 1.915 -2.792 -7.545 305 HE21 GLN 41 1HE2 GLN 41 0.616 -3.716 -9.134 306 HE22 GLN 41 2HE2 GLN 41 1.187 -3.899 -10.799 307 H VAL 42 H VAL 42 4.780 0.891 -7.241 308 HA VAL 42 HA VAL 42 7.414 0.391 -6.396 309 HB VAL 42 HB VAL 42 6.051 3.067 -6.944 310 HG11 VAL 42 1HG1 VAL 42 8.169 3.454 -5.755 311 HG12 VAL 42 2HG1 VAL 42 9.012 2.327 -6.839 312 HG13 VAL 42 3HG1 VAL 42 8.368 3.863 -7.462 313 HG21 VAL 42 1HG2 VAL 42 5.927 1.529 -8.874 314 HG22 VAL 42 2HG2 VAL 42 7.109 2.801 -9.192 315 HG23 VAL 42 3HG2 VAL 42 7.661 1.180 -8.723 316 H CYS 43 H CYS 43 4.913 2.448 -4.770 317 HA CYS 43 HA CYS 43 6.438 3.245 -2.508 318 HB2 CYS 43 2HB CYS 43 3.500 2.485 -2.547 319 HB3 CYS 43 3HB CYS 43 4.336 3.498 -1.392 320 H VAL 44 H VAL 44 4.463 0.192 -2.947 321 HA VAL 44 HA VAL 44 5.119 -0.520 -0.280 322 HB VAL 44 HB VAL 44 2.996 -1.082 -1.535 323 HG11 VAL 44 1HG1 VAL 44 2.904 -3.198 -2.645 324 HG12 VAL 44 2HG1 VAL 44 4.158 -2.235 -3.460 325 HG13 VAL 44 3HG1 VAL 44 4.630 -3.518 -2.321 326 HG21 VAL 44 1HG2 VAL 44 4.409 -3.314 -0.044 327 HG22 VAL 44 2HG2 VAL 44 3.739 -1.876 0.733 328 HG23 VAL 44 3HG2 VAL 44 2.665 -3.000 -0.139 329 H ASP 45 H ASP 45 6.752 -1.039 -3.305 330 HA ASP 45 HA ASP 45 8.336 -3.311 -2.495 331 HB2 ASP 45 2HB ASP 45 8.600 -1.113 -4.523 332 HB3 ASP 45 3HB ASP 45 10.108 -1.826 -3.967 333 H GLN 46 H GLN 46 9.075 0.211 -2.317 334 HA GLN 46 HA GLN 46 11.254 -0.180 -0.487 335 HB2 GLN 46 2HB GLN 46 9.480 2.192 -1.206 336 HB3 GLN 46 3HB GLN 46 10.708 2.347 0.051 337 HG2 GLN 46 2HG GLN 46 11.478 1.285 -2.682 338 HG3 GLN 46 3HG GLN 46 11.296 3.021 -2.405 339 HE21 GLN 46 1HE2 GLN 46 13.170 4.098 -1.755 340 HE22 GLN 46 2HE2 GLN 46 14.476 3.279 -0.907 341 H ALA 47 H ALA 47 7.779 0.104 0.132 342 HA ALA 47 HA ALA 47 8.040 0.554 2.935 343 HB1 ALA 47 1HB ALA 47 5.916 -1.097 1.533 344 HB2 ALA 47 2HB ALA 47 5.761 -0.234 3.078 345 HB3 ALA 47 3HB ALA 47 5.950 0.689 1.563 346 H LEU 48 H LEU 48 7.643 -2.524 1.125 347 HA LEU 48 HA LEU 48 7.719 -4.220 3.366 348 HB2 LEU 48 2HB LEU 48 6.786 -4.667 1.097 349 HB3 LEU 48 3HB LEU 48 8.414 -4.837 0.452 350 HG LEU 48 HG LEU 48 7.462 -6.535 2.794 351 HD11 LEU 48 1HD1 LEU 48 5.750 -6.743 1.035 352 HD12 LEU 48 2HD1 LEU 48 7.011 -7.090 -0.169 353 HD13 LEU 48 3HD1 LEU 48 6.698 -8.232 1.159 354 HD21 LEU 48 1HD2 LEU 48 9.468 -7.021 0.538 355 HD22 LEU 48 2HD2 LEU 48 9.865 -6.746 2.246 356 HD23 LEU 48 3HD2 LEU 48 9.016 -8.214 1.771 357 H ILE 49 H ILE 49 10.354 -3.290 1.043 358 HA ILE 49 HA ILE 49 12.318 -4.868 2.365 359 HB ILE 49 HB ILE 49 13.969 -3.679 1.135 360 HG12 ILE 49 2HG1 ILE 49 12.978 -1.708 -0.402 361 HG13 ILE 49 3HG1 ILE 49 12.066 -1.464 1.092 362 HG21 ILE 49 1HG2 ILE 49 12.524 -5.273 -0.081 363 HG22 ILE 49 2HG2 ILE 49 11.544 -3.914 -0.661 364 HG23 ILE 49 3HG2 ILE 49 13.247 -4.034 -1.117 365 HD11 ILE 49 1HD1 ILE 49 15.074 -1.456 0.716 366 HD12 ILE 49 2HD1 ILE 49 14.039 -0.143 1.318 367 HD13 ILE 49 3HD1 ILE 49 14.339 -1.563 2.325 368 H THR 50 H THR 50 11.176 -1.496 2.991 369 HA THR 50 HA THR 50 13.184 -0.910 4.895 370 HB THR 50 HB THR 50 10.381 0.122 4.367 371 HG1 THR 50 1HG THR 50 13.032 1.068 4.103 372 HG21 THR 50 1HG2 THR 50 10.818 1.963 5.975 373 HG22 THR 50 2HG2 THR 50 10.540 0.408 6.760 374 HG23 THR 50 3HG2 THR 50 12.199 1.045 6.622 375 H ASN 51 H ASN 51 9.881 -2.323 5.303 376 HA ASN 51 HA ASN 51 10.862 -4.022 7.364 377 HB2 ASN 51 2HB ASN 51 10.247 -1.631 8.459 378 HB3 ASN 51 3HB ASN 51 8.607 -2.270 8.379 379 HD21 ASN 51 1HD2 ASN 51 8.874 -5.001 9.072 380 HD22 ASN 51 2HD2 ASN 51 9.777 -5.088 10.583 381 H LYS 52 H LYS 52 9.737 -5.881 6.823 382 HA LYS 52 HA LYS 52 7.310 -5.771 5.276 383 HB2 LYS 52 2HB LYS 52 7.427 -8.195 5.339 384 HB3 LYS 52 3HB LYS 52 8.947 -7.434 4.898 385 HG2 LYS 52 2HG LYS 52 9.314 -7.771 7.637 386 HG3 LYS 52 3HG LYS 52 8.297 -9.160 7.227 387 HD2 LYS 52 2HD LYS 52 9.890 -9.510 5.229 388 HD3 LYS 52 3HD LYS 52 10.977 -8.377 6.015 389 HE2 LYS 52 2HE LYS 52 9.860 -10.897 7.341 390 HE3 LYS 52 3HE LYS 52 11.360 -10.887 6.419 391 HZ1 LYS 52 1HZ LYS 52 12.285 -9.316 7.926 392 HZ2 LYS 52 2HZ LYS 52 10.888 -9.255 8.815 393 HZ3 LYS 52 3HZ LYS 52 11.769 -10.647 8.744 394 H LYS 53 H LYS 53 6.340 -4.292 7.208 395 HA LYS 53 HA LYS 53 4.361 -6.019 8.504 396 HB2 LYS 53 2HB LYS 53 6.136 -3.978 9.920 397 HB3 LYS 53 3HB LYS 53 4.558 -4.426 10.542 398 HG2 LYS 53 2HG LYS 53 6.281 -6.786 10.009 399 HG3 LYS 53 3HG LYS 53 6.975 -5.639 11.152 400 HD2 LYS 53 2HD LYS 53 4.694 -5.685 12.363 401 HD3 LYS 53 3HD LYS 53 4.293 -7.052 11.312 402 HE2 LYS 53 2HE LYS 53 5.074 -7.897 13.422 403 HE3 LYS 53 3HE LYS 53 6.294 -8.267 12.191 404 HZ1 LYS 53 1HZ LYS 53 7.270 -7.394 14.224 405 HZ2 LYS 53 2HZ LYS 53 7.555 -6.368 12.972 406 HZ3 LYS 53 3HZ LYS 53 6.402 -5.999 14.082 407 H CYS 54 H CYS 54 2.312 -4.892 8.431 408 HA CYS 54 HA CYS 54 2.423 -2.405 6.793 409 HB2 CYS 54 2HB CYS 54 0.487 -2.976 5.976 410 HB3 CYS 54 3HB CYS 54 0.904 -4.558 6.632 411 HA PRO 55 HA PRO 55 2.596 0.343 9.813 412 HB2 PRO 55 2HB PRO 55 1.042 2.511 9.073 413 HB3 PRO 55 3HB PRO 55 2.520 1.983 8.214 414 HG2 PRO 55 2HG PRO 55 -0.360 1.319 7.533 415 HG3 PRO 55 3HG PRO 55 0.935 1.896 6.435 416 HD2 PRO 55 2HD PRO 55 0.333 -0.740 6.619 417 HD3 PRO 55 3HD PRO 55 2.039 -0.201 6.491 418 H ILE 56 H ILE 56 -0.935 0.030 9.186 419 HA ILE 56 HA ILE 56 -1.341 0.141 12.123 420 HB ILE 56 HB ILE 56 -1.945 2.272 11.120 421 HG12 ILE 56 2HG1 ILE 56 -2.887 1.707 13.203 422 HG13 ILE 56 3HG1 ILE 56 -4.094 2.537 12.232 423 HG21 ILE 56 1HG2 ILE 56 -4.251 0.912 9.703 424 HG22 ILE 56 2HG2 ILE 56 -3.857 2.634 9.753 425 HG23 ILE 56 3HG2 ILE 56 -2.770 1.511 8.920 426 HD11 ILE 56 1HD1 ILE 56 -5.175 0.775 13.450 427 HD12 ILE 56 2HD1 ILE 56 -5.161 0.291 11.749 428 HD13 ILE 56 3HD1 ILE 56 -4.008 -0.430 12.909 429 H CYS 57 H CYS 57 -0.819 -1.954 11.721 430 HA CYS 57 HA CYS 57 -3.001 -3.686 12.173 431 HB2 CYS 57 2HB CYS 57 -2.412 -5.294 10.220 432 HB3 CYS 57 3HB CYS 57 -3.640 -4.041 10.043 433 H ARG 58 H ARG 58 0.399 -3.438 10.997 434 HA ARG 58 HA ARG 58 2.314 -4.051 12.056 435 HB2 ARG 58 2HB ARG 58 0.912 -3.230 14.128 436 HB3 ARG 58 3HB ARG 58 0.824 -4.945 14.543 437 HG2 ARG 58 2HG ARG 58 3.345 -5.021 14.549 438 HG3 ARG 58 3HG ARG 58 3.349 -3.293 14.151 439 HD2 ARG 58 2HD ARG 58 1.701 -3.262 16.317 440 HD3 ARG 58 3HD ARG 58 2.664 -4.669 16.738 441 HE ARG 58 HE ARG 58 3.467 -1.849 16.508 442 HH11 ARG 58 1HH1 ARG 58 6.692 -2.359 17.794 443 HH12 ARG 58 2HH1 ARG 58 5.528 -1.195 17.289 444 HH21 ARG 58 1HH2 ARG 58 6.149 -4.667 17.705 445 HH22 ARG 58 2HH2 ARG 58 4.595 -5.142 17.103 446 H VAL 59 H VAL 59 0.434 -5.951 10.596 447 HA VAL 59 HA VAL 59 1.285 -8.574 11.691 448 HB VAL 59 HB VAL 59 -0.623 -7.793 9.440 449 HG11 VAL 59 1HG1 VAL 59 -1.379 -10.165 9.556 450 HG12 VAL 59 2HG1 VAL 59 0.292 -10.035 9.022 451 HG13 VAL 59 3HG1 VAL 59 -0.064 -10.520 10.697 452 HG21 VAL 59 1HG2 VAL 59 -1.181 -8.823 12.257 453 HG22 VAL 59 2HG2 VAL 59 -1.547 -7.199 11.648 454 HG23 VAL 59 3HG2 VAL 59 -2.403 -8.589 10.987 455 H ASP 60 H ASP 60 2.480 -9.973 10.275 456 HA ASP 60 HA ASP 60 4.531 -8.659 8.714 457 HB2 ASP 60 2HB ASP 60 4.807 -10.742 10.097 458 HB3 ASP 60 3HB ASP 60 3.782 -11.601 8.941 459 H ILE 61 H ILE 61 4.702 -8.669 6.473 460 HA ILE 61 HA ILE 61 2.299 -9.588 4.957 461 HB ILE 61 HB ILE 61 2.610 -7.797 3.444 462 HG12 ILE 61 2HG1 ILE 61 4.939 -6.858 5.179 463 HG13 ILE 61 3HG1 ILE 61 5.101 -7.615 3.585 464 HG21 ILE 61 1HG2 ILE 61 1.378 -7.478 5.713 465 HG22 ILE 61 2HG2 ILE 61 2.778 -6.488 6.165 466 HG23 ILE 61 3HG2 ILE 61 1.758 -6.034 4.767 467 HD11 ILE 61 1HD1 ILE 61 3.751 -4.999 4.225 468 HD12 ILE 61 2HD1 ILE 61 5.198 -5.293 3.221 469 HD13 ILE 61 3HD1 ILE 61 3.590 -5.866 2.668 470 H GLU 62 H GLU 62 5.675 -9.933 5.328 471 HA GLU 62 HA GLU 62 6.487 -10.542 2.692 472 HB2 GLU 62 2HB GLU 62 7.860 -10.470 4.948 473 HB3 GLU 62 3HB GLU 62 7.455 -12.188 5.039 474 HG2 GLU 62 2HG GLU 62 8.275 -12.175 2.493 475 HG3 GLU 62 3HG GLU 62 9.100 -10.695 2.977 476 H ALA 63 H ALA 63 6.086 -12.287 1.318 477 HA ALA 63 HA ALA 63 4.926 -14.751 2.427 478 HB1 ALA 63 1HB ALA 63 2.953 -13.324 2.141 479 HB2 ALA 63 2HB ALA 63 3.432 -12.946 0.472 480 HB3 ALA 63 3HB ALA 63 2.963 -14.606 0.909 481 H GLN 64 H GLN 64 6.990 -15.443 1.696 482 HA GLN 64 HA GLN 64 8.182 -16.783 0.316 483 HB2 GLN 64 2HB GLN 64 5.938 -17.215 -0.897 484 HB3 GLN 64 3HB GLN 64 6.500 -16.037 -2.099 485 HG2 GLN 64 2HG GLN 64 8.468 -17.411 -2.572 486 HG3 GLN 64 3HG GLN 64 8.028 -18.537 -1.275 487 HE21 GLN 64 1HE2 GLN 64 6.817 -20.350 -1.910 488 HE22 GLN 64 2HE2 GLN 64 5.883 -20.376 -3.400 489 H LEU 65 H LEU 65 10.105 -16.380 -0.914 490 HA LEU 65 HA LEU 65 10.436 -13.586 -1.850 491 HB2 LEU 65 2HB LEU 65 11.018 -13.955 0.612 492 HB3 LEU 65 3HB LEU 65 12.375 -14.927 0.071 493 HG LEU 65 HG LEU 65 12.217 -12.358 -1.382 494 HD11 LEU 65 1HD1 LEU 65 11.127 -11.601 0.690 495 HD12 LEU 65 2HD1 LEU 65 12.458 -12.274 1.657 496 HD13 LEU 65 3HD1 LEU 65 12.757 -10.914 0.562 497 HD21 LEU 65 1HD2 LEU 65 14.246 -13.780 -1.292 498 HD22 LEU 65 2HD2 LEU 65 14.550 -12.151 -0.646 499 HD23 LEU 65 3HD2 LEU 65 14.344 -13.515 0.467 500 HA PRO 66 HA PRO 66 12.161 -16.707 -4.720 501 HB2 PRO 66 2HB PRO 66 11.671 -15.372 -7.078 502 HB3 PRO 66 3HB PRO 66 10.425 -16.301 -6.190 503 HG2 PRO 66 2HG PRO 66 10.894 -13.312 -6.154 504 HG3 PRO 66 3HG PRO 66 9.345 -14.195 -6.281 505 HD2 PRO 66 2HD PRO 66 10.290 -13.167 -3.921 506 HD3 PRO 66 3HD PRO 66 9.312 -14.666 -3.979 507 H SER 67 H SER 67 12.648 -13.149 -5.053 508 HA SER 67 HA SER 67 15.372 -13.389 -4.339 509 HB2 SER 67 2HB SER 67 16.160 -12.088 -6.451 510 HB3 SER 67 3HB SER 67 15.970 -13.846 -6.567 511 HG SER 67 HG SER 67 13.902 -13.485 -7.457 512 H GLU 68 H GLU 68 16.146 -11.201 -3.763 513 HA GLU 68 HA GLU 68 13.909 -9.284 -3.429 514 HB2 GLU 68 2HB GLU 68 16.236 -10.036 -1.837 515 HB3 GLU 68 3HB GLU 68 16.305 -8.310 -2.227 516 HG2 GLU 68 2HG GLU 68 14.041 -7.970 -1.372 517 HG3 GLU 68 3HG GLU 68 13.840 -9.706 -1.114 518 H SER 69 H SER 69 14.462 -6.947 -3.908 519 HA SER 69 HA SER 69 16.599 -6.309 -5.705 520 HB2 SER 69 2HB SER 69 13.706 -6.443 -6.673 521 HB3 SER 69 3HB SER 69 14.941 -5.425 -7.438 522 HG SER 69 HG SER 69 15.573 -8.109 -7.006 Start of MODEL 3 1 H1 MET 1 H1 MET 1 2.246 39.587 -14.947 2 H2 MET 1 H2 MET 1 2.309 41.234 -15.077 3 H3 MET 1 H3 MET 1 1.030 40.395 -15.695 4 HA MET 1 HA MET 1 2.417 41.091 -17.469 5 HB2 MET 1 2HB MET 1 4.554 39.910 -15.735 6 HB3 MET 1 3HB MET 1 4.705 39.684 -17.489 7 HG2 MET 1 2HG MET 1 4.482 42.059 -17.896 8 HG3 MET 1 3HG MET 1 4.310 42.384 -16.164 9 HE1 MET 1 1HE MET 1 6.548 43.334 -18.639 10 HE2 MET 1 2HE MET 1 6.278 44.204 -17.109 11 HE3 MET 1 3HE MET 1 7.914 43.663 -17.553 12 H LYS 2 H LYS 2 3.683 37.782 -16.738 13 HA LYS 2 HA LYS 2 1.372 36.644 -18.150 14 HB2 LYS 2 2HB LYS 2 3.383 37.110 -19.757 15 HB3 LYS 2 3HB LYS 2 4.250 35.897 -18.812 16 HG2 LYS 2 2HG LYS 2 3.376 34.464 -20.365 17 HG3 LYS 2 3HG LYS 2 1.949 34.507 -19.321 18 HD2 LYS 2 2HD LYS 2 1.098 36.450 -20.753 19 HD3 LYS 2 3HD LYS 2 2.479 36.152 -21.828 20 HE2 LYS 2 2HE LYS 2 1.355 33.603 -21.439 21 HE3 LYS 2 3HE LYS 2 -0.059 34.660 -21.512 22 HZ1 LYS 2 1HZ LYS 2 2.066 34.448 -23.552 23 HZ2 LYS 2 2HZ LYS 2 0.530 33.878 -23.682 24 HZ3 LYS 2 3HZ LYS 2 0.800 35.501 -23.631 25 H GLN 3 H GLN 3 0.908 34.605 -17.210 26 HA GLN 3 HA GLN 3 2.677 33.223 -15.441 27 HB2 GLN 3 2HB GLN 3 1.418 33.681 -13.328 28 HB3 GLN 3 3HB GLN 3 2.356 35.040 -13.922 29 HG2 GLN 3 2HG GLN 3 0.059 35.806 -15.028 30 HG3 GLN 3 3HG GLN 3 -0.642 34.724 -13.816 31 HE21 GLN 3 1HE2 GLN 3 -0.219 35.231 -11.515 32 HE22 GLN 3 2HE2 GLN 3 0.225 36.872 -11.080 33 H ASP 4 H ASP 4 -0.791 34.061 -15.922 34 HA ASP 4 HA ASP 4 -2.558 32.874 -16.566 35 HB2 ASP 4 2HB ASP 4 -0.688 32.047 -18.277 36 HB3 ASP 4 3HB ASP 4 -0.968 30.497 -17.473 37 H GLY 5 H GLY 5 -3.235 30.041 -16.303 38 HA2 GLY 5 2HA GLY 5 -2.353 28.913 -13.888 39 HA3 GLY 5 3HA GLY 5 -3.717 29.982 -13.501 40 H GLU 6 H GLU 6 -3.648 27.014 -13.315 41 HA GLU 6 HA GLU 6 -5.918 26.375 -15.076 42 HB2 GLU 6 2HB GLU 6 -3.186 25.104 -15.074 43 HB3 GLU 6 3HB GLU 6 -4.589 24.025 -15.160 44 HG2 GLU 6 2HG GLU 6 -5.456 25.213 -17.114 45 HG3 GLU 6 3HG GLU 6 -4.090 26.340 -17.072 46 H GLU 7 H GLU 7 -7.137 24.498 -14.195 47 HA GLU 7 HA GLU 7 -6.400 23.350 -11.726 48 HB2 GLU 7 2HB GLU 7 -7.467 25.485 -10.940 49 HB3 GLU 7 3HB GLU 7 -8.930 25.069 -11.851 50 HG2 GLU 7 2HG GLU 7 -9.251 23.059 -10.485 51 HG3 GLU 7 3HG GLU 7 -7.684 23.295 -9.703 52 H GLY 8 H GLY 8 -7.535 21.418 -11.661 53 HA2 GLY 8 2HA GLY 8 -9.447 20.755 -13.845 54 HA3 GLY 8 3HA GLY 8 -7.978 19.774 -13.635 55 H THR 9 H THR 9 -9.664 17.983 -13.257 56 HA THR 9 HA THR 9 -10.466 17.954 -10.408 57 HB THR 9 HB THR 9 -12.492 16.681 -11.219 58 HG1 THR 9 1HG THR 9 -12.972 16.733 -13.354 59 HG21 THR 9 1HG2 THR 9 -12.304 19.522 -12.319 60 HG22 THR 9 2HG2 THR 9 -13.778 18.655 -11.848 61 HG23 THR 9 3HG2 THR 9 -12.590 19.119 -10.612 62 H GLU 10 H GLU 10 -10.968 15.569 -9.796 63 HA GLU 10 HA GLU 10 -9.200 13.655 -11.149 64 HB2 GLU 10 2HB GLU 10 -9.091 14.503 -8.220 65 HB3 GLU 10 3HB GLU 10 -8.453 12.952 -8.799 66 HG2 GLU 10 2HG GLU 10 -6.898 14.082 -10.303 67 HG3 GLU 10 3HG GLU 10 -7.545 15.664 -9.845 68 H GLU 11 H GLU 11 -9.718 11.421 -9.890 69 HA GLU 11 HA GLU 11 -12.490 11.334 -8.991 70 HB2 GLU 11 2HB GLU 11 -11.757 10.526 -11.658 71 HB3 GLU 11 3HB GLU 11 -12.020 9.053 -10.712 72 HG2 GLU 11 2HG GLU 11 -14.210 9.959 -9.938 73 HG3 GLU 11 3HG GLU 11 -13.949 11.410 -10.913 74 H ASP 12 H ASP 12 -12.886 9.143 -8.073 75 HA ASP 12 HA ASP 12 -12.502 7.735 -6.405 76 HB2 ASP 12 2HB ASP 12 -10.851 6.730 -7.920 77 HB3 ASP 12 3HB ASP 12 -9.601 7.745 -7.207 78 H THR 13 H THR 13 -12.157 7.827 -4.295 79 HA THR 13 HA THR 13 -10.291 9.772 -3.118 80 HB THR 13 HB THR 13 -12.981 10.433 -3.695 81 HG1 THR 13 1HG THR 13 -11.193 11.702 -3.798 82 HG21 THR 13 1HG2 THR 13 -12.615 10.557 -0.693 83 HG22 THR 13 2HG2 THR 13 -13.925 11.250 -1.665 84 HG23 THR 13 3HG2 THR 13 -13.750 9.492 -1.570 85 H GLU 14 H GLU 14 -11.259 6.713 -3.080 86 HA GLU 14 HA GLU 14 -11.464 6.369 -0.147 87 HB2 GLU 14 2HB GLU 14 -12.834 5.020 -2.504 88 HB3 GLU 14 3HB GLU 14 -12.717 4.248 -0.911 89 HG2 GLU 14 2HG GLU 14 -13.886 6.091 0.158 90 HG3 GLU 14 3HG GLU 14 -13.875 7.036 -1.334 91 H GLU 15 H GLU 15 -10.266 4.957 -3.333 92 HA GLU 15 HA GLU 15 -8.546 3.192 -1.728 93 HB2 GLU 15 2HB GLU 15 -8.727 3.433 -4.749 94 HB3 GLU 15 3HB GLU 15 -7.868 2.224 -3.795 95 HG2 GLU 15 2HG GLU 15 -10.307 1.948 -2.666 96 HG3 GLU 15 3HG GLU 15 -10.827 2.550 -4.238 97 H LYS 16 H LYS 16 -7.150 4.500 -0.662 98 HA LYS 16 HA LYS 16 -5.262 6.061 -2.362 99 HB2 LYS 16 2HB LYS 16 -5.134 7.712 -0.419 100 HB3 LYS 16 3HB LYS 16 -6.574 7.751 -1.453 101 HG2 LYS 16 2HG LYS 16 -7.936 6.689 0.089 102 HG3 LYS 16 3HG LYS 16 -6.560 6.173 1.088 103 HD2 LYS 16 2HD LYS 16 -7.770 8.011 2.168 104 HD3 LYS 16 3HD LYS 16 -6.137 8.520 1.717 105 HE2 LYS 16 2HE LYS 16 -6.954 10.210 0.512 106 HE3 LYS 16 3HE LYS 16 -7.804 9.068 -0.539 107 HZ1 LYS 16 1HZ LYS 16 -9.700 9.165 0.832 108 HZ2 LYS 16 2HZ LYS 16 -8.943 10.113 1.967 109 HZ3 LYS 16 3HZ LYS 16 -9.282 10.685 0.456 110 H CYS 17 H CYS 17 -3.219 6.031 -1.926 111 HA CYS 17 HA CYS 17 -1.929 3.782 -0.600 112 HB2 CYS 17 2HB CYS 17 -1.285 5.010 -2.713 113 HB3 CYS 17 3HB CYS 17 -0.892 6.394 -1.725 114 H THR 18 H THR 18 -1.788 3.728 1.678 115 HA THR 18 HA THR 18 -1.938 6.136 3.189 116 HB THR 18 HB THR 18 -2.487 3.735 3.945 117 HG1 THR 18 1HG THR 18 -1.126 5.654 5.517 118 HG21 THR 18 1HG2 THR 18 -0.784 2.611 5.211 119 HG22 THR 18 2HG2 THR 18 -0.104 2.898 3.581 120 HG23 THR 18 3HG2 THR 18 0.388 3.905 4.955 121 H ILE 19 H ILE 19 0.778 4.733 1.507 122 HA ILE 19 HA ILE 19 2.763 5.725 3.379 123 HB ILE 19 HB ILE 19 2.770 4.256 0.742 124 HG12 ILE 19 2HG1 ILE 19 3.937 3.385 3.407 125 HG13 ILE 19 3HG1 ILE 19 2.206 3.227 3.108 126 HG21 ILE 19 1HG2 ILE 19 4.726 5.691 0.686 127 HG22 ILE 19 2HG2 ILE 19 5.129 5.284 2.369 128 HG23 ILE 19 3HG2 ILE 19 5.267 4.055 1.093 129 HD11 ILE 19 1HD1 ILE 19 3.368 1.157 2.559 130 HD12 ILE 19 2HD1 ILE 19 2.607 1.872 1.118 131 HD13 ILE 19 3HD1 ILE 19 4.363 2.010 1.360 132 H CYS 20 H CYS 20 1.678 6.466 0.008 133 HA CYS 20 HA CYS 20 3.250 9.002 -0.131 134 HB2 CYS 20 2HB CYS 20 0.932 8.087 -1.854 135 HB3 CYS 20 3HB CYS 20 2.118 9.355 -2.182 136 H LEU 21 H LEU 21 0.316 7.966 1.411 137 HA LEU 21 HA LEU 21 -1.686 8.876 1.826 138 HB2 LEU 21 2HB LEU 21 0.103 11.230 2.497 139 HB3 LEU 21 3HB LEU 21 -1.593 11.097 2.983 140 HG LEU 21 HG LEU 21 0.504 9.002 3.702 141 HD11 LEU 21 1HD1 LEU 21 1.152 11.132 4.654 142 HD12 LEU 21 2HD1 LEU 21 -0.480 11.354 5.341 143 HD13 LEU 21 3HD1 LEU 21 0.571 10.030 5.915 144 HD21 LEU 21 1HD2 LEU 21 -2.261 9.620 4.857 145 HD22 LEU 21 2HD2 LEU 21 -1.863 8.229 3.828 146 HD23 LEU 21 3HD2 LEU 21 -1.144 8.362 5.431 147 H SER 22 H SER 22 -1.537 8.619 -0.707 148 HA SER 22 HA SER 22 -2.756 11.057 -1.870 149 HB2 SER 22 2HB SER 22 -0.436 9.502 -3.099 150 HB3 SER 22 3HB SER 22 -1.392 10.737 -3.932 151 HG SER 22 HG SER 22 0.059 11.220 -1.519 152 H ILE 23 H ILE 23 -4.408 10.505 -3.407 153 HA ILE 23 HA ILE 23 -5.601 7.998 -3.231 154 HB ILE 23 HB ILE 23 -5.786 10.470 -4.995 155 HG12 ILE 23 2HG1 ILE 23 -7.794 10.946 -3.793 156 HG13 ILE 23 3HG1 ILE 23 -7.754 9.376 -2.971 157 HG21 ILE 23 1HG2 ILE 23 -6.687 8.917 -6.457 158 HG22 ILE 23 2HG2 ILE 23 -7.508 7.977 -5.196 159 HG23 ILE 23 3HG2 ILE 23 -8.085 9.596 -5.670 160 HD11 ILE 23 1HD1 ILE 23 -7.183 11.297 -1.521 161 HD12 ILE 23 2HD1 ILE 23 -5.898 10.083 -1.606 162 HD13 ILE 23 3HD1 ILE 23 -5.762 11.621 -2.521 163 H LEU 24 H LEU 24 -5.924 6.507 -4.891 164 HA LEU 24 HA LEU 24 -3.660 6.019 -6.741 165 HB2 LEU 24 2HB LEU 24 -5.998 4.295 -5.774 166 HB3 LEU 24 3HB LEU 24 -4.642 3.708 -6.741 167 HG LEU 24 HG LEU 24 -4.310 4.928 -3.958 168 HD11 LEU 24 1HD1 LEU 24 -5.567 2.873 -3.851 169 HD12 LEU 24 2HD1 LEU 24 -4.307 2.022 -4.777 170 HD13 LEU 24 3HD1 LEU 24 -3.942 2.695 -3.159 171 HD21 LEU 24 1HD2 LEU 24 -2.340 5.249 -5.120 172 HD22 LEU 24 2HD2 LEU 24 -2.060 3.694 -4.286 173 HD23 LEU 24 3HD2 LEU 24 -2.464 3.717 -6.013 174 H GLU 25 H GLU 25 -5.262 4.350 -8.515 175 HA GLU 25 HA GLU 25 -7.613 5.713 -9.267 176 HB2 GLU 25 2HB GLU 25 -7.045 6.297 -11.560 177 HB3 GLU 25 3HB GLU 25 -5.996 7.168 -10.433 178 HG2 GLU 25 2HG GLU 25 -4.189 5.533 -10.857 179 HG3 GLU 25 3HG GLU 25 -5.250 4.684 -12.007 180 H GLU 26 H GLU 26 -8.435 4.429 -11.455 181 HA GLU 26 HA GLU 26 -8.054 1.591 -10.775 182 HB2 GLU 26 2HB GLU 26 -10.322 2.386 -11.145 183 HB3 GLU 26 3HB GLU 26 -9.902 2.972 -12.767 184 HG2 GLU 26 2HG GLU 26 -9.469 0.708 -13.547 185 HG3 GLU 26 3HG GLU 26 -9.543 0.071 -11.901 186 H GLY 27 H GLY 27 -6.425 0.497 -11.705 187 HA2 GLY 27 2HA GLY 27 -5.492 -0.546 -13.626 188 HA3 GLY 27 3HA GLY 27 -5.952 0.847 -14.615 189 H GLU 28 H GLU 28 -4.186 0.942 -11.481 190 HA GLU 28 HA GLU 28 -1.820 2.006 -12.924 191 HB2 GLU 28 2HB GLU 28 -3.480 3.511 -11.529 192 HB3 GLU 28 3HB GLU 28 -2.626 2.883 -10.136 193 HG2 GLU 28 2HG GLU 28 -0.830 3.864 -12.301 194 HG3 GLU 28 3HG GLU 28 -1.945 5.097 -11.730 195 H ASP 29 H ASP 29 0.130 1.986 -11.073 196 HA ASP 29 HA ASP 29 0.461 -0.886 -10.695 197 HB2 ASP 29 2HB ASP 29 2.229 1.506 -10.123 198 HB3 ASP 29 3HB ASP 29 2.725 -0.161 -9.892 199 H VAL 30 H VAL 30 -0.521 -1.763 -8.931 200 HA VAL 30 HA VAL 30 -0.190 -0.460 -6.305 201 HB VAL 30 HB VAL 30 -2.544 -1.041 -5.729 202 HG11 VAL 30 1HG1 VAL 30 -1.875 1.271 -6.261 203 HG12 VAL 30 2HG1 VAL 30 -2.235 0.992 -7.979 204 HG13 VAL 30 3HG1 VAL 30 -3.538 0.938 -6.780 205 HG21 VAL 30 1HG2 VAL 30 -2.940 -1.323 -8.739 206 HG22 VAL 30 2HG2 VAL 30 -3.023 -2.653 -7.563 207 HG23 VAL 30 3HG2 VAL 30 -4.204 -1.332 -7.501 208 H ARG 31 H ARG 31 -0.311 -1.955 -4.515 209 HA ARG 31 HA ARG 31 -0.074 -4.764 -5.318 210 HB2 ARG 31 2HB ARG 31 2.110 -3.165 -4.369 211 HB3 ARG 31 3HB ARG 31 1.578 -4.124 -2.982 212 HG2 ARG 31 2HG ARG 31 1.573 -6.131 -4.589 213 HG3 ARG 31 3HG ARG 31 2.506 -5.130 -5.690 214 HD2 ARG 31 2HD ARG 31 4.392 -5.078 -4.300 215 HD3 ARG 31 3HD ARG 31 3.464 -5.373 -2.829 216 HE ARG 31 HE ARG 31 4.617 -7.325 -4.584 217 HH11 ARG 31 1HH1 ARG 31 2.744 -10.056 -3.278 218 HH12 ARG 31 2HH1 ARG 31 4.001 -9.599 -4.371 219 HH21 ARG 31 1HH2 ARG 31 1.492 -8.346 -2.100 220 HH22 ARG 31 2HH2 ARG 31 2.033 -6.744 -2.253 221 H ARG 32 H ARG 32 -0.556 -6.218 -3.443 222 HA ARG 32 HA ARG 32 -2.457 -4.956 -1.532 223 HB2 ARG 32 2HB ARG 32 -3.214 -6.496 -3.622 224 HB3 ARG 32 3HB ARG 32 -2.795 -7.791 -2.506 225 HG2 ARG 32 2HG ARG 32 -4.842 -5.567 -2.108 226 HG3 ARG 32 3HG ARG 32 -5.159 -7.274 -2.420 227 HD2 ARG 32 2HD ARG 32 -3.877 -7.697 -0.163 228 HD3 ARG 32 3HD ARG 32 -4.153 -5.992 0.130 229 HE ARG 32 HE ARG 32 -6.097 -8.127 0.171 230 HH11 ARG 32 1HH1 ARG 32 -8.850 -5.968 0.606 231 HH12 ARG 32 2HH1 ARG 32 -8.329 -7.612 0.588 232 HH21 ARG 32 1HH2 ARG 32 -7.291 -4.226 0.216 233 HH22 ARG 32 2HH2 ARG 32 -5.633 -4.625 -0.071 234 H LEU 33 H LEU 33 -2.327 -5.805 0.622 235 HA LEU 33 HA LEU 33 -0.234 -7.762 1.227 236 HB2 LEU 33 2HB LEU 33 0.234 -6.060 3.118 237 HB3 LEU 33 3HB LEU 33 0.910 -5.737 1.536 238 HG LEU 33 HG LEU 33 -1.795 -4.530 2.157 239 HD11 LEU 33 1HD1 LEU 33 -0.434 -4.237 4.182 240 HD12 LEU 33 2HD1 LEU 33 0.876 -3.513 3.232 241 HD13 LEU 33 3HD1 LEU 33 -0.693 -2.688 3.358 242 HD21 LEU 33 1HD2 LEU 33 -0.871 -3.981 -0.042 243 HD22 LEU 33 2HD2 LEU 33 -0.738 -2.562 0.984 244 HD23 LEU 33 3HD2 LEU 33 0.690 -3.580 0.680 245 HA PRO 34 HA PRO 34 -3.316 -9.578 3.461 246 HB2 PRO 34 2HB PRO 34 -2.157 -10.654 5.706 247 HB3 PRO 34 3HB PRO 34 -1.795 -11.182 4.033 248 HG2 PRO 34 2HG PRO 34 -0.232 -9.274 5.771 249 HG3 PRO 34 3HG PRO 34 0.377 -10.612 4.738 250 HD2 PRO 34 2HD PRO 34 0.341 -7.950 4.012 251 HD3 PRO 34 3HD PRO 34 0.273 -9.239 2.816 252 H CYS 35 H CYS 35 -1.952 -6.875 5.072 253 HA CYS 35 HA CYS 35 -3.790 -6.415 7.295 254 HB2 CYS 35 2HB CYS 35 -1.515 -5.431 6.793 255 HB3 CYS 35 3HB CYS 35 -2.276 -4.568 5.457 256 H MET 36 H MET 36 -4.662 -7.010 4.120 257 HA MET 36 HA MET 36 -6.216 -6.395 2.706 258 HB2 MET 36 2HB MET 36 -7.805 -5.581 5.165 259 HB3 MET 36 3HB MET 36 -8.440 -5.843 3.530 260 HG2 MET 36 2HG MET 36 -7.204 -8.167 3.743 261 HG3 MET 36 3HG MET 36 -7.330 -7.867 5.469 262 HE1 MET 36 1HE MET 36 -11.220 -7.720 6.013 263 HE2 MET 36 2HE MET 36 -9.624 -7.737 6.797 264 HE3 MET 36 3HE MET 36 -10.101 -6.361 5.773 265 H HIS 37 H HIS 37 -4.143 -4.584 3.166 266 HA HIS 37 HA HIS 37 -5.447 -1.965 2.708 267 HB2 HIS 37 1HB HIS 37 -2.971 -2.810 4.159 268 HB3 HIS 37 2HB HIS 37 -2.731 -1.482 3.048 269 HD2 HIS 37 2HD HIS 37 -5.587 -0.063 3.509 270 HE1 HIS 37 1HE HIS 37 -4.349 0.625 7.498 271 HE2 HIS 37 2HE HIS 37 -6.009 1.279 5.676 272 H LEU 38 H LEU 38 -4.502 -0.670 0.828 273 HA LEU 38 HA LEU 38 -3.396 -2.367 -1.346 274 HB2 LEU 38 2HB LEU 38 -5.868 -2.365 -1.677 275 HB3 LEU 38 3HB LEU 38 -5.896 -0.619 -1.447 276 HG LEU 38 HG LEU 38 -4.224 -0.568 -3.519 277 HD11 LEU 38 1HD1 LEU 38 -4.637 -2.365 -5.120 278 HD12 LEU 38 2HD1 LEU 38 -3.907 -3.023 -3.646 279 HD13 LEU 38 3HD1 LEU 38 -5.654 -3.219 -3.949 280 HD21 LEU 38 1HD2 LEU 38 -6.486 0.387 -3.491 281 HD22 LEU 38 2HD2 LEU 38 -6.108 -0.375 -5.040 282 HD23 LEU 38 3HD2 LEU 38 -7.171 -1.199 -3.879 283 H PHE 39 H PHE 39 -1.564 -1.252 -1.871 284 HA PHE 39 HA PHE 39 -1.633 1.746 -1.783 285 HB2 PHE 39 2HB PHE 39 0.526 -0.122 -0.808 286 HB3 PHE 39 3HB PHE 39 0.651 1.640 -0.785 287 HD1 PHE 39 1HD PHE 39 -2.374 1.932 0.380 288 HD2 PHE 39 2HD PHE 39 1.122 -0.303 1.516 289 HE1 PHE 39 1HE PHE 39 -3.210 1.804 2.680 290 HE2 PHE 39 2HE PHE 39 0.299 -0.405 3.838 291 HZ PHE 39 HZ PHE 39 -1.867 0.656 4.433 292 H HIS 40 H HIS 40 0.735 2.432 -2.939 293 HA HIS 40 HA HIS 40 0.434 1.436 -5.670 294 HB2 HIS 40 1HB HIS 40 2.568 3.156 -4.381 295 HB3 HIS 40 2HB HIS 40 2.595 2.700 -6.074 296 HD2 HIS 40 2HD HIS 40 0.429 3.537 -7.635 297 HE1 HIS 40 1HE HIS 40 -0.004 7.101 -5.346 298 HE2 HIS 40 2HE HIS 40 -0.559 5.886 -7.593 299 H GLN 41 H GLN 41 1.863 0.118 -6.834 300 HA GLN 41 HA GLN 41 3.663 -1.758 -5.593 301 HB2 GLN 41 2HB GLN 41 2.335 -1.330 -8.116 302 HB3 GLN 41 3HB GLN 41 4.042 -1.512 -8.454 303 HG2 GLN 41 2HG GLN 41 4.006 -3.622 -7.092 304 HG3 GLN 41 3HG GLN 41 2.255 -3.374 -6.886 305 HE21 GLN 41 1HE2 GLN 41 0.865 -4.212 -8.508 306 HE22 GLN 41 2HE2 GLN 41 1.485 -4.754 -10.061 307 H VAL 42 H VAL 42 4.293 1.216 -5.370 308 HA VAL 42 HA VAL 42 7.168 0.909 -6.032 309 HB VAL 42 HB VAL 42 5.614 3.518 -6.352 310 HG11 VAL 42 1HG1 VAL 42 8.545 2.820 -6.851 311 HG12 VAL 42 2HG1 VAL 42 7.772 4.372 -7.235 312 HG13 VAL 42 3HG1 VAL 42 7.931 3.862 -5.548 313 HG21 VAL 42 1HG2 VAL 42 6.849 1.649 -8.422 314 HG22 VAL 42 2HG2 VAL 42 5.128 2.042 -8.242 315 HG23 VAL 42 3HG2 VAL 42 6.262 3.292 -8.764 316 H CYS 43 H CYS 43 4.942 3.178 -4.321 317 HA CYS 43 HA CYS 43 6.336 3.751 -1.999 318 HB2 CYS 43 2HB CYS 43 3.389 3.023 -2.130 319 HB3 CYS 43 3HB CYS 43 4.204 4.078 -0.985 320 H VAL 44 H VAL 44 4.038 0.930 -2.318 321 HA VAL 44 HA VAL 44 4.969 0.015 0.235 322 HB VAL 44 HB VAL 44 2.620 -0.100 -0.752 323 HG11 VAL 44 1HG1 VAL 44 3.442 -1.598 -2.743 324 HG12 VAL 44 2HG1 VAL 44 3.517 -2.888 -1.552 325 HG13 VAL 44 3HG1 VAL 44 1.961 -2.079 -1.879 326 HG21 VAL 44 1HG2 VAL 44 3.369 -0.916 1.446 327 HG22 VAL 44 2HG2 VAL 44 2.192 -2.041 0.727 328 HG23 VAL 44 3HG2 VAL 44 3.917 -2.428 0.709 329 H ASP 45 H ASP 45 5.991 -0.489 -2.970 330 HA ASP 45 HA ASP 45 6.957 -3.190 -2.658 331 HB2 ASP 45 2HB ASP 45 6.682 -1.543 -4.786 332 HB3 ASP 45 3HB ASP 45 8.410 -1.320 -4.503 333 H GLN 46 H GLN 46 8.583 0.021 -2.541 334 HA GLN 46 HA GLN 46 10.906 -0.999 -1.189 335 HB2 GLN 46 2HB GLN 46 9.702 1.808 -1.349 336 HB3 GLN 46 3HB GLN 46 11.250 1.461 -0.569 337 HG2 GLN 46 2HG GLN 46 10.615 0.887 -3.499 338 HG3 GLN 46 3HG GLN 46 11.514 2.285 -2.905 339 HE21 GLN 46 1HE2 GLN 46 13.524 1.696 -1.438 340 HE22 GLN 46 2HE2 GLN 46 14.430 0.305 -2.023 341 H ALA 47 H ALA 47 7.764 0.123 0.087 342 HA ALA 47 HA ALA 47 8.645 0.242 2.777 343 HB1 ALA 47 1HB ALA 47 5.972 -0.813 1.846 344 HB2 ALA 47 2HB ALA 47 6.341 -0.022 3.391 345 HB3 ALA 47 3HB ALA 47 6.409 0.924 1.883 346 H LEU 48 H LEU 48 7.404 -2.593 0.932 347 HA LEU 48 HA LEU 48 7.512 -4.469 3.031 348 HB2 LEU 48 2HB LEU 48 6.224 -4.649 0.926 349 HB3 LEU 48 3HB LEU 48 7.702 -4.866 0.001 350 HG LEU 48 HG LEU 48 6.925 -6.752 2.267 351 HD11 LEU 48 1HD1 LEU 48 6.207 -7.023 -0.681 352 HD12 LEU 48 2HD1 LEU 48 5.839 -8.185 0.617 353 HD13 LEU 48 3HD1 LEU 48 5.059 -6.597 0.604 354 HD21 LEU 48 1HD2 LEU 48 9.214 -7.123 1.526 355 HD22 LEU 48 2HD2 LEU 48 8.210 -8.409 0.877 356 HD23 LEU 48 3HD2 LEU 48 8.713 -7.075 -0.181 357 H ILE 49 H ILE 49 9.865 -3.872 0.321 358 HA ILE 49 HA ILE 49 11.704 -5.793 1.283 359 HB ILE 49 HB ILE 49 13.310 -4.900 -0.195 360 HG12 ILE 49 2HG1 ILE 49 12.427 -2.675 -1.495 361 HG13 ILE 49 3HG1 ILE 49 11.970 -2.333 0.182 362 HG21 ILE 49 1HG2 ILE 49 11.350 -6.084 -1.158 363 HG22 ILE 49 2HG2 ILE 49 10.632 -4.509 -1.552 364 HG23 ILE 49 3HG2 ILE 49 12.165 -4.986 -2.283 365 HD11 ILE 49 1HD1 ILE 49 14.740 -3.062 -0.816 366 HD12 ILE 49 2HD1 ILE 49 14.198 -1.476 -0.226 367 HD13 ILE 49 3HD1 ILE 49 14.311 -2.847 0.895 368 H THR 50 H THR 50 11.300 -2.360 2.208 369 HA THR 50 HA THR 50 13.668 -2.315 3.802 370 HB THR 50 HB THR 50 11.157 -0.604 3.697 371 HG1 THR 50 1HG THR 50 13.865 -0.295 2.895 372 HG21 THR 50 1HG2 THR 50 12.434 1.078 5.032 373 HG22 THR 50 2HG2 THR 50 11.947 -0.337 5.973 374 HG23 THR 50 3HG2 THR 50 13.632 -0.179 5.420 375 H ASN 51 H ASN 51 10.265 -3.228 4.468 376 HA ASN 51 HA ASN 51 11.091 -4.702 6.728 377 HB2 ASN 51 2HB ASN 51 9.858 -3.635 8.519 378 HB3 ASN 51 3HB ASN 51 11.158 -2.622 7.935 379 HD21 ASN 51 1HD2 ASN 51 8.707 -2.123 5.625 380 HD22 ASN 51 2HD2 ASN 51 7.989 -0.746 6.419 381 H LYS 52 H LYS 52 9.847 -6.423 6.803 382 HA LYS 52 HA LYS 52 7.387 -6.657 5.285 383 HB2 LYS 52 2HB LYS 52 7.444 -8.928 6.037 384 HB3 LYS 52 3HB LYS 52 8.978 -8.431 5.334 385 HG2 LYS 52 2HG LYS 52 10.153 -8.704 7.285 386 HG3 LYS 52 3HG LYS 52 8.880 -8.005 8.290 387 HD2 LYS 52 2HD LYS 52 7.541 -10.140 7.846 388 HD3 LYS 52 3HD LYS 52 9.031 -10.794 7.166 389 HE2 LYS 52 2HE LYS 52 9.116 -11.549 9.377 390 HE3 LYS 52 3HE LYS 52 10.104 -10.073 9.450 391 HZ1 LYS 52 1HZ LYS 52 8.531 -10.067 11.238 392 HZ2 LYS 52 2HZ LYS 52 7.964 -8.958 10.128 393 HZ3 LYS 52 3HZ LYS 52 7.295 -10.444 10.228 394 H LYS 53 H LYS 53 6.475 -4.711 6.730 395 HA LYS 53 HA LYS 53 4.604 -5.972 8.590 396 HB2 LYS 53 2HB LYS 53 5.125 -4.397 10.431 397 HB3 LYS 53 3HB LYS 53 6.465 -5.472 10.060 398 HG2 LYS 53 2HG LYS 53 7.722 -3.597 10.107 399 HG3 LYS 53 3HG LYS 53 7.169 -3.387 8.462 400 HD2 LYS 53 2HD LYS 53 6.486 -1.345 9.129 401 HD3 LYS 53 3HD LYS 53 5.120 -2.159 9.905 402 HE2 LYS 53 2HE LYS 53 6.485 -2.409 11.985 403 HE3 LYS 53 3HE LYS 53 7.848 -1.618 11.170 404 HZ1 LYS 53 1HZ LYS 53 6.522 0.356 10.961 405 HZ2 LYS 53 2HZ LYS 53 5.242 -0.355 11.723 406 HZ3 LYS 53 3HZ LYS 53 6.646 -0.074 12.541 407 H CYS 54 H CYS 54 2.616 -5.085 8.101 408 HA CYS 54 HA CYS 54 2.402 -2.890 6.190 409 HB2 CYS 54 2HB CYS 54 0.755 -4.709 6.365 410 HB3 CYS 54 3HB CYS 54 0.298 -4.169 7.980 411 HA PRO 55 HA PRO 55 2.321 0.276 9.378 412 HB2 PRO 55 2HB PRO 55 1.544 2.432 7.897 413 HB3 PRO 55 3HB PRO 55 3.197 1.745 7.827 414 HG2 PRO 55 2HG PRO 55 0.878 1.175 5.962 415 HG3 PRO 55 3HG PRO 55 2.557 1.637 5.522 416 HD2 PRO 55 2HD PRO 55 1.724 -0.955 5.554 417 HD3 PRO 55 3HD PRO 55 3.376 -0.515 6.084 418 H ILE 56 H ILE 56 0.840 1.532 10.341 419 HA ILE 56 HA ILE 56 -0.890 1.402 11.781 420 HB ILE 56 HB ILE 56 -2.288 2.248 9.225 421 HG12 ILE 56 2HG1 ILE 56 -0.206 3.554 9.619 422 HG13 ILE 56 3HG1 ILE 56 -1.659 4.519 9.759 423 HG21 ILE 56 1HG2 ILE 56 -2.946 2.743 12.164 424 HG22 ILE 56 2HG2 ILE 56 -3.661 3.656 10.815 425 HG23 ILE 56 3HG2 ILE 56 -3.946 1.918 10.956 426 HD11 ILE 56 1HD1 ILE 56 -1.497 4.513 12.213 427 HD12 ILE 56 2HD1 ILE 56 -0.075 3.443 12.139 428 HD13 ILE 56 3HD1 ILE 56 0.006 5.087 11.488 429 H CYS 57 H CYS 57 -0.332 -0.876 11.718 430 HA CYS 57 HA CYS 57 -2.581 -2.773 11.691 431 HB2 CYS 57 2HB CYS 57 -0.376 -2.882 9.608 432 HB3 CYS 57 3HB CYS 57 -1.237 -4.316 10.188 433 H ARG 58 H ARG 58 0.977 -2.689 11.219 434 HA ARG 58 HA ARG 58 2.677 -3.785 12.213 435 HB2 ARG 58 2HB ARG 58 1.927 -2.506 14.303 436 HB3 ARG 58 3HB ARG 58 1.076 -3.979 14.785 437 HG2 ARG 58 2HG ARG 58 3.372 -5.182 14.477 438 HG3 ARG 58 3HG ARG 58 4.063 -3.554 14.422 439 HD2 ARG 58 2HD ARG 58 3.068 -3.074 16.649 440 HD3 ARG 58 3HD ARG 58 2.343 -4.699 16.663 441 HE ARG 58 HE ARG 58 5.149 -4.907 16.241 442 HH11 ARG 58 1HH1 ARG 58 5.967 -5.578 19.604 443 HH12 ARG 58 2HH1 ARG 58 6.522 -5.640 17.974 444 HH21 ARG 58 1HH2 ARG 58 3.801 -4.736 20.086 445 HH22 ARG 58 2HH2 ARG 58 2.810 -4.193 18.779 446 H VAL 59 H VAL 59 1.381 -5.235 10.506 447 HA VAL 59 HA VAL 59 1.160 -7.904 11.781 448 HB VAL 59 HB VAL 59 -0.579 -6.809 9.521 449 HG11 VAL 59 1HG1 VAL 59 -1.762 -9.005 9.726 450 HG12 VAL 59 2HG1 VAL 59 -0.111 -9.186 9.142 451 HG13 VAL 59 3HG1 VAL 59 -0.498 -9.566 10.839 452 HG21 VAL 59 1HG2 VAL 59 -1.312 -6.015 11.773 453 HG22 VAL 59 2HG2 VAL 59 -2.445 -7.204 11.130 454 HG23 VAL 59 3HG2 VAL 59 -1.269 -7.679 12.375 455 H ASP 60 H ASP 60 2.022 -9.573 10.456 456 HA ASP 60 HA ASP 60 4.347 -8.781 8.924 457 HB2 ASP 60 2HB ASP 60 4.077 -10.847 10.399 458 HB3 ASP 60 3HB ASP 60 3.026 -11.523 9.145 459 H ILE 61 H ILE 61 4.574 -8.786 6.680 460 HA ILE 61 HA ILE 61 2.188 -9.587 5.087 461 HB ILE 61 HB ILE 61 2.738 -7.854 3.535 462 HG12 ILE 61 2HG1 ILE 61 4.917 -6.954 5.473 463 HG13 ILE 61 3HG1 ILE 61 5.255 -7.878 3.997 464 HG21 ILE 61 1HG2 ILE 61 1.872 -6.047 4.757 465 HG22 ILE 61 2HG2 ILE 61 1.387 -7.427 5.757 466 HG23 ILE 61 3HG2 ILE 61 2.801 -6.483 6.224 467 HD11 ILE 61 1HD1 ILE 61 5.527 -5.560 3.522 468 HD12 ILE 61 2HD1 ILE 61 4.079 -6.208 2.675 469 HD13 ILE 61 3HD1 ILE 61 3.894 -5.192 4.129 470 H GLU 62 H GLU 62 5.404 -10.251 5.652 471 HA GLU 62 HA GLU 62 6.394 -11.125 3.084 472 HB2 GLU 62 2HB GLU 62 7.151 -11.304 5.897 473 HB3 GLU 62 3HB GLU 62 7.330 -12.881 5.158 474 HG2 GLU 62 2HG GLU 62 8.463 -10.362 3.875 475 HG3 GLU 62 3HG GLU 62 9.356 -11.285 5.085 476 H ALA 63 H ALA 63 4.482 -12.639 5.669 477 HA ALA 63 HA ALA 63 3.035 -14.408 5.670 478 HB1 ALA 63 1HB ALA 63 1.924 -12.890 4.068 479 HB2 ALA 63 2HB ALA 63 2.732 -13.725 2.723 480 HB3 ALA 63 3HB ALA 63 1.566 -14.598 3.732 481 H GLN 64 H GLN 64 5.863 -15.001 4.989 482 HA GLN 64 HA GLN 64 6.667 -17.168 5.491 483 HB2 GLN 64 2HB GLN 64 4.614 -18.409 4.885 484 HB3 GLN 64 3HB GLN 64 5.015 -18.229 3.158 485 HG2 GLN 64 2HG GLN 64 6.901 -19.626 3.321 486 HG3 GLN 64 3HG GLN 64 7.028 -19.425 5.074 487 HE21 GLN 64 1HE2 GLN 64 5.643 -20.658 6.495 488 HE22 GLN 64 2HE2 GLN 64 4.745 -22.022 5.843 489 H LEU 65 H LEU 65 8.721 -17.415 4.810 490 HA LEU 65 HA LEU 65 9.869 -15.602 3.153 491 HB2 LEU 65 2HB LEU 65 11.034 -17.008 4.843 492 HB3 LEU 65 3HB LEU 65 10.880 -18.399 3.764 493 HG LEU 65 HG LEU 65 12.188 -16.974 2.024 494 HD11 LEU 65 1HD1 LEU 65 12.919 -15.454 4.570 495 HD12 LEU 65 2HD1 LEU 65 13.651 -15.246 2.963 496 HD13 LEU 65 3HD1 LEU 65 11.961 -14.789 3.233 497 HD21 LEU 65 1HD2 LEU 65 13.141 -18.911 3.174 498 HD22 LEU 65 2HD2 LEU 65 14.344 -17.622 3.038 499 HD23 LEU 65 3HD2 LEU 65 13.530 -17.909 4.596 500 HA PRO 66 HA PRO 66 8.587 -17.398 -0.778 501 HB2 PRO 66 2HB PRO 66 9.181 -15.285 -2.425 502 HB3 PRO 66 3HB PRO 66 7.767 -15.305 -1.326 503 HG2 PRO 66 2HG PRO 66 10.459 -13.993 -0.865 504 HG3 PRO 66 3HG PRO 66 8.828 -13.314 -0.583 505 HD2 PRO 66 2HD PRO 66 10.330 -14.428 1.413 506 HD3 PRO 66 3HD PRO 66 8.544 -14.548 1.389 507 H SER 67 H SER 67 11.714 -15.663 -0.391 508 HA SER 67 HA SER 67 13.189 -17.968 -1.189 509 HB2 SER 67 2HB SER 67 12.534 -17.248 -3.457 510 HB3 SER 67 3HB SER 67 13.193 -15.634 -3.156 511 HG SER 67 HG SER 67 14.710 -16.916 -4.230 512 H GLU 68 H GLU 68 14.360 -14.628 -1.900 513 HA GLU 68 HA GLU 68 15.234 -14.220 0.830 514 HB2 GLU 68 2HB GLU 68 17.598 -13.876 0.092 515 HB3 GLU 68 3HB GLU 68 17.081 -15.555 0.108 516 HG2 GLU 68 2HG GLU 68 17.601 -15.843 -2.045 517 HG3 GLU 68 3HG GLU 68 16.595 -14.505 -2.559 518 H SER 69 H SER 69 15.345 -12.039 1.211 519 HA SER 69 HA SER 69 14.654 -9.913 0.945 520 HB2 SER 69 2HB SER 69 15.874 -8.751 -1.129 521 HB3 SER 69 3HB SER 69 16.704 -9.186 0.365 522 HG SER 69 HG SER 69 16.575 -10.964 -1.825 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -15.615 40.225 -21.694 2 H2 MET 1 H2 MET 1 -14.906 40.867 -23.040 3 H3 MET 1 H3 MET 1 -14.059 40.753 -21.630 4 HA MET 1 HA MET 1 -14.703 42.992 -22.010 5 HB2 MET 1 2HB MET 1 -17.502 41.829 -22.072 6 HB3 MET 1 3HB MET 1 -17.165 43.537 -21.713 7 HG2 MET 1 2HG MET 1 -15.925 43.762 -23.827 8 HG3 MET 1 3HG MET 1 -16.284 42.079 -24.233 9 HE1 MET 1 1HE MET 1 -18.409 44.253 -26.755 10 HE2 MET 1 2HE MET 1 -16.841 44.707 -26.052 11 HE3 MET 1 3HE MET 1 -17.124 43.034 -26.595 12 H LYS 2 H LYS 2 -17.336 41.856 -19.790 13 HA LYS 2 HA LYS 2 -15.420 42.291 -17.566 14 HB2 LYS 2 2HB LYS 2 -16.625 44.445 -18.455 15 HB3 LYS 2 3HB LYS 2 -18.053 43.792 -17.657 16 HG2 LYS 2 2HG LYS 2 -16.545 43.587 -15.539 17 HG3 LYS 2 3HG LYS 2 -15.358 44.538 -16.456 18 HD2 LYS 2 2HD LYS 2 -17.287 46.226 -16.849 19 HD3 LYS 2 3HD LYS 2 -18.146 45.348 -15.564 20 HE2 LYS 2 2HE LYS 2 -16.232 45.771 -14.024 21 HE3 LYS 2 3HE LYS 2 -15.379 46.618 -15.324 22 HZ1 LYS 2 1HZ LYS 2 -17.940 47.458 -14.120 23 HZ2 LYS 2 2HZ LYS 2 -16.476 48.170 -13.880 24 HZ3 LYS 2 3HZ LYS 2 -17.183 48.228 -15.363 25 H GLN 3 H GLN 3 -15.960 39.799 -17.730 26 HA GLN 3 HA GLN 3 -17.705 39.347 -15.498 27 HB2 GLN 3 2HB GLN 3 -19.049 39.068 -17.886 28 HB3 GLN 3 3HB GLN 3 -18.283 37.479 -17.781 29 HG2 GLN 3 2HG GLN 3 -19.198 37.542 -15.284 30 HG3 GLN 3 3HG GLN 3 -20.288 38.779 -15.922 31 HE21 GLN 3 1HE2 GLN 3 -21.426 38.007 -18.163 32 HE22 GLN 3 2HE2 GLN 3 -21.952 36.328 -18.088 33 H ASP 4 H ASP 4 -16.845 37.477 -14.363 34 HA ASP 4 HA ASP 4 -15.326 35.445 -15.613 35 HB2 ASP 4 2HB ASP 4 -13.833 37.832 -15.048 36 HB3 ASP 4 3HB ASP 4 -13.494 36.763 -13.701 37 H GLY 5 H GLY 5 -14.745 33.784 -13.822 38 HA2 GLY 5 2HA GLY 5 -14.630 33.999 -11.222 39 HA3 GLY 5 3HA GLY 5 -16.368 34.279 -11.385 40 H GLU 6 H GLU 6 -14.001 31.874 -10.960 41 HA GLU 6 HA GLU 6 -16.007 29.767 -11.428 42 HB2 GLU 6 2HB GLU 6 -13.097 29.658 -12.367 43 HB3 GLU 6 3HB GLU 6 -14.223 28.306 -12.336 44 HG2 GLU 6 2HG GLU 6 -14.597 28.816 -14.471 45 HG3 GLU 6 3HG GLU 6 -15.708 30.013 -13.831 46 H GLU 7 H GLU 7 -15.068 27.677 -10.396 47 HA GLU 7 HA GLU 7 -13.278 28.101 -8.129 48 HB2 GLU 7 2HB GLU 7 -15.482 28.770 -7.251 49 HB3 GLU 7 3HB GLU 7 -16.165 27.220 -7.734 50 HG2 GLU 7 2HG GLU 7 -14.572 26.074 -6.161 51 HG3 GLU 7 3HG GLU 7 -13.884 27.641 -5.737 52 H GLY 8 H GLY 8 -15.382 25.418 -7.972 53 HA2 GLY 8 2HA GLY 8 -15.235 23.383 -9.398 54 HA3 GLY 8 3HA GLY 8 -13.495 23.703 -9.550 55 H THR 9 H THR 9 -14.626 21.230 -8.461 56 HA THR 9 HA THR 9 -13.141 21.227 -5.992 57 HB THR 9 HB THR 9 -15.310 21.954 -5.140 58 HG1 THR 9 1HG THR 9 -15.594 19.936 -3.820 59 HG21 THR 9 1HG2 THR 9 -16.359 19.362 -6.336 60 HG22 THR 9 2HG2 THR 9 -17.272 20.501 -5.317 61 HG23 THR 9 3HG2 THR 9 -16.723 20.996 -6.929 62 H GLU 10 H GLU 10 -12.756 18.955 -5.302 63 HA GLU 10 HA GLU 10 -13.783 16.807 -6.848 64 HB2 GLU 10 2HB GLU 10 -11.837 17.793 -8.310 65 HB3 GLU 10 3HB GLU 10 -10.766 17.144 -7.060 66 HG2 GLU 10 2HG GLU 10 -11.820 14.881 -7.417 67 HG3 GLU 10 3HG GLU 10 -12.835 15.587 -8.680 68 H GLU 11 H GLU 11 -13.434 14.821 -5.558 69 HA GLU 11 HA GLU 11 -11.605 14.930 -3.316 70 HB2 GLU 11 2HB GLU 11 -13.352 14.641 -1.616 71 HB3 GLU 11 3HB GLU 11 -13.515 16.193 -2.433 72 HG2 GLU 11 2HG GLU 11 -15.276 15.000 -3.952 73 HG3 GLU 11 3HG GLU 11 -15.255 13.723 -2.730 74 H ASP 12 H ASP 12 -11.064 12.759 -2.712 75 HA ASP 12 HA ASP 12 -12.734 10.521 -3.376 76 HB2 ASP 12 2HB ASP 12 -11.594 11.095 -5.593 77 HB3 ASP 12 3HB ASP 12 -10.046 10.810 -4.802 78 H THR 13 H THR 13 -12.096 8.878 -1.883 79 HA THR 13 HA THR 13 -9.336 8.908 -0.914 80 HB THR 13 HB THR 13 -11.473 8.860 1.236 81 HG1 THR 13 1HG THR 13 -10.351 11.064 -0.054 82 HG21 THR 13 1HG2 THR 13 -9.607 9.595 2.665 83 HG22 THR 13 2HG2 THR 13 -9.142 8.109 1.827 84 HG23 THR 13 3HG2 THR 13 -8.531 9.676 1.258 85 H GLU 14 H GLU 14 -11.364 7.168 -2.510 86 HA GLU 14 HA GLU 14 -11.876 4.940 -0.731 87 HB2 GLU 14 2HB GLU 14 -12.370 5.590 -3.657 88 HB3 GLU 14 3HB GLU 14 -12.434 3.916 -3.112 89 HG2 GLU 14 2HG GLU 14 -14.633 4.607 -2.973 90 HG3 GLU 14 3HG GLU 14 -14.070 4.605 -1.312 91 H GLU 15 H GLU 15 -9.853 5.417 -3.661 92 HA GLU 15 HA GLU 15 -8.225 3.062 -2.802 93 HB2 GLU 15 2HB GLU 15 -7.458 3.100 -5.197 94 HB3 GLU 15 3HB GLU 15 -9.121 2.600 -4.900 95 HG2 GLU 15 2HG GLU 15 -10.045 4.595 -5.756 96 HG3 GLU 15 3HG GLU 15 -8.537 5.493 -5.604 97 H LYS 16 H LYS 16 -7.212 4.459 -1.186 98 HA LYS 16 HA LYS 16 -5.240 6.290 -2.459 99 HB2 LYS 16 2HB LYS 16 -7.014 6.808 -0.310 100 HB3 LYS 16 3HB LYS 16 -5.411 6.665 0.426 101 HG2 LYS 16 2HG LYS 16 -4.621 8.168 -1.550 102 HG3 LYS 16 3HG LYS 16 -6.338 8.510 -1.784 103 HD2 LYS 16 2HD LYS 16 -6.352 9.290 0.658 104 HD3 LYS 16 3HD LYS 16 -4.573 9.169 0.583 105 HE2 LYS 16 2HE LYS 16 -4.706 10.564 -1.565 106 HE3 LYS 16 3HE LYS 16 -6.413 10.836 -1.205 107 HZ1 LYS 16 1HZ LYS 16 -5.659 11.829 0.923 108 HZ2 LYS 16 2HZ LYS 16 -4.088 11.655 0.423 109 HZ3 LYS 16 3HZ LYS 16 -5.097 12.643 -0.397 110 H CYS 17 H CYS 17 -3.210 6.209 -2.051 111 HA CYS 17 HA CYS 17 -1.890 3.744 -1.024 112 HB2 CYS 17 2HB CYS 17 -1.245 5.057 -3.109 113 HB3 CYS 17 3HB CYS 17 -0.776 6.364 -2.045 114 H THR 18 H THR 18 -1.464 3.624 1.217 115 HA THR 18 HA THR 18 -1.776 5.989 2.834 116 HB THR 18 HB THR 18 -2.180 3.535 3.490 117 HG1 THR 18 1HG THR 18 -2.445 5.174 4.947 118 HG21 THR 18 1HG2 THR 18 -0.381 2.415 4.615 119 HG22 THR 18 2HG2 THR 18 0.200 2.803 2.979 120 HG23 THR 18 3HG2 THR 18 0.715 3.777 4.382 121 H ILE 19 H ILE 19 0.983 4.542 1.162 122 HA ILE 19 HA ILE 19 2.942 5.776 2.865 123 HB ILE 19 HB ILE 19 2.960 4.305 0.226 124 HG12 ILE 19 2HG1 ILE 19 4.327 3.211 2.645 125 HG13 ILE 19 3HG1 ILE 19 2.578 3.333 2.793 126 HG21 ILE 19 1HG2 ILE 19 5.463 4.124 0.647 127 HG22 ILE 19 2HG2 ILE 19 4.878 5.734 0.165 128 HG23 ILE 19 3HG2 ILE 19 5.263 5.400 1.870 129 HD11 ILE 19 1HD1 ILE 19 4.011 1.969 0.488 130 HD12 ILE 19 2HD1 ILE 19 3.237 1.150 1.867 131 HD13 ILE 19 3HD1 ILE 19 2.251 2.081 0.720 132 H CYS 20 H CYS 20 1.778 6.367 -0.511 133 HA CYS 20 HA CYS 20 3.306 8.935 -0.734 134 HB2 CYS 20 2HB CYS 20 1.104 7.903 -2.540 135 HB3 CYS 20 3HB CYS 20 2.326 9.138 -2.862 136 H LEU 21 H LEU 21 0.359 7.894 0.717 137 HA LEU 21 HA LEU 21 -1.622 8.822 1.185 138 HB2 LEU 21 2HB LEU 21 0.181 11.206 1.637 139 HB3 LEU 21 3HB LEU 21 -1.487 11.102 2.216 140 HG LEU 21 HG LEU 21 0.626 9.020 2.902 141 HD11 LEU 21 1HD1 LEU 21 1.392 11.142 3.759 142 HD12 LEU 21 2HD1 LEU 21 -0.194 11.446 4.518 143 HD13 LEU 21 3HD1 LEU 21 0.835 10.103 5.079 144 HD21 LEU 21 1HD2 LEU 21 -1.735 8.278 3.198 145 HD22 LEU 21 2HD2 LEU 21 -0.929 8.471 4.748 146 HD23 LEU 21 3HD2 LEU 21 -2.062 9.722 4.187 147 H SER 22 H SER 22 -1.155 8.624 -1.553 148 HA SER 22 HA SER 22 -2.715 10.905 -2.652 149 HB2 SER 22 2HB SER 22 -0.309 11.142 -3.240 150 HB3 SER 22 3HB SER 22 -0.344 9.530 -3.985 151 HG SER 22 HG SER 22 -1.630 10.278 -5.580 152 H ILE 23 H ILE 23 -4.018 10.301 -4.503 153 HA ILE 23 HA ILE 23 -5.280 7.745 -4.224 154 HB ILE 23 HB ILE 23 -5.503 10.190 -5.997 155 HG12 ILE 23 2HG1 ILE 23 -6.341 10.191 -3.591 156 HG13 ILE 23 3HG1 ILE 23 -7.506 10.655 -4.825 157 HG21 ILE 23 1HG2 ILE 23 -6.171 8.550 -7.525 158 HG22 ILE 23 2HG2 ILE 23 -7.124 7.656 -6.319 159 HG23 ILE 23 3HG2 ILE 23 -7.650 9.260 -6.880 160 HD11 ILE 23 1HD1 ILE 23 -8.597 8.486 -4.737 161 HD12 ILE 23 2HD1 ILE 23 -7.362 7.840 -3.655 162 HD13 ILE 23 3HD1 ILE 23 -8.452 9.115 -3.093 163 H LEU 24 H LEU 24 -5.552 6.236 -5.893 164 HA LEU 24 HA LEU 24 -3.160 5.632 -7.517 165 HB2 LEU 24 2HB LEU 24 -5.557 3.980 -6.568 166 HB3 LEU 24 3HB LEU 24 -4.103 3.333 -7.345 167 HG LEU 24 HG LEU 24 -4.094 4.788 -4.649 168 HD11 LEU 24 1HD1 LEU 24 -3.810 1.846 -5.269 169 HD12 LEU 24 2HD1 LEU 24 -3.675 2.642 -3.668 170 HD13 LEU 24 3HD1 LEU 24 -5.226 2.634 -4.534 171 HD21 LEU 24 1HD2 LEU 24 -1.764 3.649 -4.686 172 HD22 LEU 24 2HD2 LEU 24 -2.014 3.546 -6.444 173 HD23 LEU 24 3HD2 LEU 24 -2.034 5.136 -5.646 174 H GLU 25 H GLU 25 -4.961 3.720 -9.089 175 HA GLU 25 HA GLU 25 -7.090 5.237 -10.081 176 HB2 GLU 25 2HB GLU 25 -6.583 5.780 -12.247 177 HB3 GLU 25 3HB GLU 25 -5.090 6.182 -11.419 178 HG2 GLU 25 2HG GLU 25 -4.318 3.787 -12.184 179 HG3 GLU 25 3HG GLU 25 -5.692 3.850 -13.254 180 H GLU 26 H GLU 26 -8.124 3.911 -12.047 181 HA GLU 26 HA GLU 26 -8.739 1.333 -11.056 182 HB2 GLU 26 2HB GLU 26 -10.217 2.732 -12.504 183 HB3 GLU 26 3HB GLU 26 -9.093 2.523 -13.843 184 HG2 GLU 26 2HG GLU 26 -10.784 0.974 -14.293 185 HG3 GLU 26 3HG GLU 26 -9.508 -0.025 -13.610 186 H GLY 27 H GLY 27 -7.305 -0.342 -10.996 187 HA2 GLY 27 2HA GLY 27 -6.001 -2.073 -11.862 188 HA3 GLY 27 3HA GLY 27 -6.296 -1.415 -13.479 189 H GLU 28 H GLU 28 -4.832 0.568 -10.916 190 HA GLU 28 HA GLU 28 -2.631 1.205 -12.561 191 HB2 GLU 28 2HB GLU 28 -3.916 2.421 -10.580 192 HB3 GLU 28 3HB GLU 28 -2.727 1.672 -9.567 193 HG2 GLU 28 2HG GLU 28 -1.450 2.946 -11.892 194 HG3 GLU 28 3HG GLU 28 -2.539 4.085 -11.089 195 H ASP 29 H ASP 29 -0.287 1.234 -11.321 196 HA ASP 29 HA ASP 29 0.453 -1.612 -11.156 197 HB2 ASP 29 2HB ASP 29 2.033 0.957 -11.159 198 HB3 ASP 29 3HB ASP 29 2.759 -0.635 -10.969 199 H VAL 30 H VAL 30 -0.531 -2.134 -9.224 200 HA VAL 30 HA VAL 30 0.597 -0.920 -6.745 201 HB VAL 30 HB VAL 30 -1.633 -1.246 -5.698 202 HG11 VAL 30 1HG1 VAL 30 -2.813 0.588 -6.978 203 HG12 VAL 30 2HG1 VAL 30 -1.165 0.963 -6.460 204 HG13 VAL 30 3HG1 VAL 30 -1.487 0.536 -8.144 205 HG21 VAL 30 1HG2 VAL 30 -2.514 -3.043 -7.133 206 HG22 VAL 30 2HG2 VAL 30 -3.610 -1.658 -7.038 207 HG23 VAL 30 3HG2 VAL 30 -2.633 -1.897 -8.488 208 H ARG 31 H ARG 31 -0.391 -2.647 -4.897 209 HA ARG 31 HA ARG 31 -0.026 -5.368 -5.796 210 HB2 ARG 31 2HB ARG 31 2.025 -3.823 -4.304 211 HB3 ARG 31 3HB ARG 31 1.591 -5.307 -3.459 212 HG2 ARG 31 2HG ARG 31 2.396 -5.236 -6.389 213 HG3 ARG 31 3HG ARG 31 3.561 -5.438 -5.076 214 HD2 ARG 31 2HD ARG 31 2.727 -7.524 -4.438 215 HD3 ARG 31 3HD ARG 31 1.144 -7.240 -5.190 216 HE ARG 31 HE ARG 31 3.037 -7.186 -7.246 217 HH11 ARG 31 1HH1 ARG 31 2.467 -10.523 -8.249 218 HH12 ARG 31 2HH1 ARG 31 2.970 -8.951 -8.750 219 HH21 ARG 31 1HH2 ARG 31 1.757 -10.856 -5.976 220 HH22 ARG 31 2HH2 ARG 31 1.919 -9.539 -4.873 221 H ARG 32 H ARG 32 -0.392 -6.808 -3.692 222 HA ARG 32 HA ARG 32 -2.388 -5.509 -1.957 223 HB2 ARG 32 2HB ARG 32 -3.720 -6.747 -3.539 224 HB3 ARG 32 3HB ARG 32 -2.588 -8.103 -3.539 225 HG2 ARG 32 2HG ARG 32 -4.586 -8.735 -2.324 226 HG3 ARG 32 3HG ARG 32 -3.216 -8.687 -1.232 227 HD2 ARG 32 2HD ARG 32 -4.715 -7.549 0.070 228 HD3 ARG 32 3HD ARG 32 -4.066 -6.181 -0.794 229 HE ARG 32 HE ARG 32 -6.058 -5.934 -1.961 230 HH11 ARG 32 1HH1 ARG 32 -9.070 -7.747 -1.642 231 HH12 ARG 32 2HH1 ARG 32 -8.335 -6.330 -2.288 232 HH21 ARG 32 1HH2 ARG 32 -7.775 -9.294 -0.402 233 HH22 ARG 32 2HH2 ARG 32 -6.092 -8.989 -0.174 234 H LEU 33 H LEU 33 -2.245 -6.222 0.200 235 HA LEU 33 HA LEU 33 -0.161 -8.169 0.898 236 HB2 LEU 33 2HB LEU 33 -0.296 -6.439 3.032 237 HB3 LEU 33 3HB LEU 33 0.964 -6.406 1.810 238 HG LEU 33 HG LEU 33 -1.597 -4.794 1.565 239 HD11 LEU 33 1HD1 LEU 33 -0.435 -2.947 2.668 240 HD12 LEU 33 2HD1 LEU 33 -0.548 -4.321 3.765 241 HD13 LEU 33 3HD1 LEU 33 0.995 -3.967 2.952 242 HD21 LEU 33 1HD2 LEU 33 0.037 -3.211 0.359 243 HD22 LEU 33 2HD2 LEU 33 1.249 -4.505 0.449 244 HD23 LEU 33 3HD2 LEU 33 -0.234 -4.713 -0.496 245 HA PRO 34 HA PRO 34 -3.065 -10.396 2.826 246 HB2 PRO 34 2HB PRO 34 -2.321 -10.858 5.496 247 HB3 PRO 34 3HB PRO 34 -1.693 -11.690 4.044 248 HG2 PRO 34 2HG PRO 34 -0.443 -9.454 5.611 249 HG3 PRO 34 3HG PRO 34 0.337 -10.815 4.746 250 HD2 PRO 34 2HD PRO 34 0.178 -8.233 3.832 251 HD3 PRO 34 3HD PRO 34 0.351 -9.612 2.746 252 H CYS 35 H CYS 35 -2.443 -7.567 4.984 253 HA CYS 35 HA CYS 35 -5.176 -7.659 6.133 254 HB2 CYS 35 2HB CYS 35 -4.451 -5.647 7.235 255 HB3 CYS 35 3HB CYS 35 -3.248 -6.924 7.447 256 H MET 36 H MET 36 -4.975 -7.494 3.138 257 HA MET 36 HA MET 36 -5.971 -6.430 1.434 258 HB2 MET 36 2HB MET 36 -8.341 -5.938 1.847 259 HB3 MET 36 3HB MET 36 -7.814 -7.479 2.521 260 HG2 MET 36 2HG MET 36 -7.719 -6.555 4.758 261 HG3 MET 36 3HG MET 36 -8.063 -4.928 4.156 262 HE1 MET 36 1HE MET 36 -9.504 -6.770 6.535 263 HE2 MET 36 2HE MET 36 -9.699 -5.024 6.255 264 HE3 MET 36 3HE MET 36 -11.132 -6.076 6.359 265 H HIS 37 H HIS 37 -4.039 -4.720 2.406 266 HA HIS 37 HA HIS 37 -5.360 -2.075 2.032 267 HB2 HIS 37 1HB HIS 37 -2.973 -2.935 3.713 268 HB3 HIS 37 2HB HIS 37 -3.271 -1.256 3.281 269 HD2 HIS 37 2HD HIS 37 -6.404 -1.095 3.642 270 HE1 HIS 37 1HE HIS 37 -5.764 -2.147 7.705 271 HE2 HIS 37 2HE HIS 37 -7.405 -1.118 6.039 272 H LEU 38 H LEU 38 -5.296 -2.124 -0.264 273 HA LEU 38 HA LEU 38 -2.944 -2.935 -1.681 274 HB2 LEU 38 2HB LEU 38 -3.951 -2.293 -3.661 275 HB3 LEU 38 3HB LEU 38 -5.284 -2.875 -2.688 276 HG LEU 38 HG LEU 38 -4.649 0.104 -3.073 277 HD11 LEU 38 1HD1 LEU 38 -6.508 -1.669 -4.670 278 HD12 LEU 38 2HD1 LEU 38 -6.429 0.106 -4.747 279 HD13 LEU 38 3HD1 LEU 38 -5.032 -0.851 -5.238 280 HD21 LEU 38 1HD2 LEU 38 -6.114 -0.385 -1.129 281 HD22 LEU 38 2HD2 LEU 38 -7.005 0.405 -2.427 282 HD23 LEU 38 3HD2 LEU 38 -7.189 -1.343 -2.189 283 H PHE 39 H PHE 39 -1.238 -1.772 -2.568 284 HA PHE 39 HA PHE 39 -1.142 1.165 -2.224 285 HB2 PHE 39 2HB PHE 39 0.808 -0.852 -1.044 286 HB3 PHE 39 3HB PHE 39 1.169 0.858 -1.179 287 HD1 PHE 39 1HD PHE 39 -1.682 1.826 -0.304 288 HD2 PHE 39 2HD PHE 39 1.009 -1.084 1.358 289 HE1 PHE 39 1HE PHE 39 -2.837 2.018 1.849 290 HE2 PHE 39 2HE PHE 39 -0.080 -0.798 3.568 291 HZ PHE 39 HZ PHE 39 -2.021 0.727 3.811 292 H HIS 40 H HIS 40 0.649 2.123 -3.514 293 HA HIS 40 HA HIS 40 0.978 1.118 -6.140 294 HB2 HIS 40 1HB HIS 40 2.814 2.824 -4.448 295 HB3 HIS 40 2HB HIS 40 3.183 2.439 -6.117 296 HD2 HIS 40 2HD HIS 40 1.052 3.113 -7.910 297 HE1 HIS 40 1HE HIS 40 0.281 6.703 -5.748 298 HE2 HIS 40 2HE HIS 40 -0.173 5.360 -7.938 299 H GLN 41 H GLN 41 2.665 -0.019 -7.189 300 HA GLN 41 HA GLN 41 4.035 -2.026 -5.723 301 HB2 GLN 41 2HB GLN 41 3.375 -1.933 -8.197 302 HB3 GLN 41 3HB GLN 41 4.812 -0.954 -8.471 303 HG2 GLN 41 2HG GLN 41 6.282 -2.710 -7.951 304 HG3 GLN 41 3HG GLN 41 5.119 -3.534 -6.914 305 HE21 GLN 41 1HE2 GLN 41 2.836 -3.989 -8.456 306 HE22 GLN 41 2HE2 GLN 41 3.338 -4.860 -9.895 307 H VAL 42 H VAL 42 5.256 1.050 -7.202 308 HA VAL 42 HA VAL 42 7.863 0.823 -6.184 309 HB VAL 42 HB VAL 42 6.284 3.373 -6.740 310 HG11 VAL 42 1HG1 VAL 42 8.470 3.735 -5.504 311 HG12 VAL 42 2HG1 VAL 42 9.300 2.928 -6.851 312 HG13 VAL 42 3HG1 VAL 42 8.422 4.450 -7.118 313 HG21 VAL 42 1HG2 VAL 42 8.000 1.610 -8.547 314 HG22 VAL 42 2HG2 VAL 42 6.260 1.924 -8.723 315 HG23 VAL 42 3HG2 VAL 42 7.417 3.229 -8.984 316 H CYS 43 H CYS 43 5.136 2.715 -4.682 317 HA CYS 43 HA CYS 43 6.568 3.569 -2.362 318 HB2 CYS 43 2HB CYS 43 3.643 2.771 -2.463 319 HB3 CYS 43 3HB CYS 43 4.445 3.828 -1.329 320 H VAL 44 H VAL 44 4.617 0.562 -2.887 321 HA VAL 44 HA VAL 44 5.031 -0.164 -0.155 322 HB VAL 44 HB VAL 44 2.984 -0.580 -1.651 323 HG11 VAL 44 1HG1 VAL 44 4.398 -3.237 -2.068 324 HG12 VAL 44 2HG1 VAL 44 2.824 -2.675 -2.699 325 HG13 VAL 44 3HG1 VAL 44 4.346 -1.995 -3.324 326 HG21 VAL 44 1HG2 VAL 44 3.222 -1.206 0.694 327 HG22 VAL 44 2HG2 VAL 44 2.395 -2.495 -0.222 328 HG23 VAL 44 3HG2 VAL 44 4.107 -2.674 0.226 329 H ASP 45 H ASP 45 6.733 -0.753 -3.075 330 HA ASP 45 HA ASP 45 8.212 -3.094 -2.295 331 HB2 ASP 45 2HB ASP 45 8.846 -0.739 -4.128 332 HB3 ASP 45 3HB ASP 45 10.061 -1.942 -3.735 333 H GLN 46 H GLN 46 8.999 0.421 -2.125 334 HA GLN 46 HA GLN 46 11.160 0.039 -0.284 335 HB2 GLN 46 2HB GLN 46 9.377 2.439 -0.927 336 HB3 GLN 46 3HB GLN 46 10.766 2.566 0.152 337 HG2 GLN 46 2HG GLN 46 11.097 1.458 -2.663 338 HG3 GLN 46 3HG GLN 46 11.042 3.197 -2.361 339 HE21 GLN 46 1HE2 GLN 46 13.265 3.510 -3.029 340 HE22 GLN 46 2HE2 GLN 46 14.555 2.969 -1.963 341 H ALA 47 H ALA 47 7.696 0.340 0.310 342 HA ALA 47 HA ALA 47 7.930 0.795 3.122 343 HB1 ALA 47 1HB ALA 47 5.773 -0.774 1.679 344 HB2 ALA 47 2HB ALA 47 5.637 0.060 3.239 345 HB3 ALA 47 3HB ALA 47 5.859 1.008 1.744 346 H LEU 48 H LEU 48 7.276 -2.289 1.391 347 HA LEU 48 HA LEU 48 7.473 -4.036 3.521 348 HB2 LEU 48 2HB LEU 48 6.514 -4.461 1.300 349 HB3 LEU 48 3HB LEU 48 8.112 -4.484 0.570 350 HG LEU 48 HG LEU 48 7.305 -6.417 2.793 351 HD11 LEU 48 1HD1 LEU 48 5.685 -6.586 0.914 352 HD12 LEU 48 2HD1 LEU 48 7.034 -6.808 -0.218 353 HD13 LEU 48 3HD1 LEU 48 6.702 -8.026 1.037 354 HD21 LEU 48 1HD2 LEU 48 9.663 -6.566 2.467 355 HD22 LEU 48 2HD2 LEU 48 9.002 -7.876 1.500 356 HD23 LEU 48 3HD2 LEU 48 9.516 -6.377 0.702 357 H ILE 49 H ILE 49 10.127 -3.080 1.220 358 HA ILE 49 HA ILE 49 12.062 -4.688 2.551 359 HB ILE 49 HB ILE 49 13.730 -3.574 1.348 360 HG12 ILE 49 2HG1 ILE 49 12.933 -1.545 -0.173 361 HG13 ILE 49 3HG1 ILE 49 11.941 -1.248 1.268 362 HG21 ILE 49 1HG2 ILE 49 13.106 -3.971 -0.859 363 HG22 ILE 49 2HG2 ILE 49 12.071 -5.035 0.112 364 HG23 ILE 49 3HG2 ILE 49 11.422 -3.540 -0.580 365 HD11 ILE 49 1HD1 ILE 49 14.946 -1.696 1.407 366 HD12 ILE 49 2HD1 ILE 49 14.212 -0.097 1.210 367 HD13 ILE 49 3HD1 ILE 49 13.889 -1.035 2.669 368 H THR 50 H THR 50 10.876 -1.377 3.245 369 HA THR 50 HA THR 50 12.981 -0.862 5.134 370 HB THR 50 HB THR 50 10.272 0.414 4.619 371 HG1 THR 50 1HG THR 50 11.788 0.911 3.134 372 HG21 THR 50 1HG2 THR 50 12.366 1.234 6.669 373 HG22 THR 50 2HG2 THR 50 11.043 2.273 6.087 374 HG23 THR 50 3HG2 THR 50 10.667 0.798 6.990 375 H ASN 51 H ASN 51 9.761 -2.404 5.263 376 HA ASN 51 HA ASN 51 10.349 -3.708 7.715 377 HB2 ASN 51 2HB ASN 51 9.406 -1.137 8.143 378 HB3 ASN 51 3HB ASN 51 7.889 -2.033 8.077 379 HD21 ASN 51 1HD2 ASN 51 9.751 -0.800 10.308 380 HD22 ASN 51 2HD2 ASN 51 9.862 -2.104 11.475 381 H LYS 52 H LYS 52 9.280 -5.649 7.434 382 HA LYS 52 HA LYS 52 7.259 -5.872 5.312 383 HB2 LYS 52 2HB LYS 52 7.488 -8.166 5.537 384 HB3 LYS 52 3HB LYS 52 9.093 -7.428 5.566 385 HG2 LYS 52 2HG LYS 52 8.828 -7.571 8.211 386 HG3 LYS 52 3HG LYS 52 7.559 -8.741 7.820 387 HD2 LYS 52 2HD LYS 52 9.409 -9.641 6.137 388 HD3 LYS 52 3HD LYS 52 10.487 -8.863 7.297 389 HE2 LYS 52 2HE LYS 52 9.557 -10.254 9.125 390 HE3 LYS 52 3HE LYS 52 8.221 -10.767 8.094 391 HZ1 LYS 52 1HZ LYS 52 9.870 -11.886 6.670 392 HZ2 LYS 52 2HZ LYS 52 11.042 -11.595 7.785 393 HZ3 LYS 52 3HZ LYS 52 9.718 -12.546 8.101 394 H LYS 53 H LYS 53 6.167 -4.165 7.210 395 HA LYS 53 HA LYS 53 4.070 -5.865 8.401 396 HB2 LYS 53 2HB LYS 53 5.611 -3.673 9.853 397 HB3 LYS 53 3HB LYS 53 4.187 -4.502 10.502 398 HG2 LYS 53 2HG LYS 53 5.366 -6.549 10.829 399 HG3 LYS 53 3HG LYS 53 6.626 -6.121 9.681 400 HD2 LYS 53 2HD LYS 53 7.836 -5.767 11.505 401 HD3 LYS 53 3HD LYS 53 7.134 -4.152 11.364 402 HE2 LYS 53 2HE LYS 53 5.347 -4.840 12.984 403 HE3 LYS 53 3HE LYS 53 6.166 -6.408 13.154 404 HZ1 LYS 53 1HZ LYS 53 7.322 -3.766 13.783 405 HZ2 LYS 53 2HZ LYS 53 6.898 -4.930 14.876 406 HZ3 LYS 53 3HZ LYS 53 8.152 -5.181 13.842 407 H CYS 54 H CYS 54 2.138 -4.934 8.008 408 HA CYS 54 HA CYS 54 1.867 -3.027 5.917 409 HB2 CYS 54 2HB CYS 54 0.226 -4.747 6.663 410 HB3 CYS 54 3HB CYS 54 -0.039 -3.795 8.123 411 HA PRO 55 HA PRO 55 2.476 0.616 8.588 412 HB2 PRO 55 2HB PRO 55 2.704 2.538 6.679 413 HB3 PRO 55 3HB PRO 55 3.961 1.290 6.917 414 HG2 PRO 55 2HG PRO 55 1.699 1.251 4.890 415 HG3 PRO 55 3HG PRO 55 3.450 1.004 4.593 416 HD2 PRO 55 2HD PRO 55 1.711 -1.074 4.950 417 HD3 PRO 55 3HD PRO 55 3.397 -1.151 5.549 418 H ILE 56 H ILE 56 0.226 -0.131 9.109 419 HA ILE 56 HA ILE 56 -1.691 2.017 9.043 420 HB ILE 56 HB ILE 56 -2.436 -0.691 7.809 421 HG12 ILE 56 2HG1 ILE 56 -1.646 0.915 6.116 422 HG13 ILE 56 3HG1 ILE 56 -3.319 0.426 5.920 423 HG21 ILE 56 1HG2 ILE 56 -4.188 1.482 8.985 424 HG22 ILE 56 2HG2 ILE 56 -4.805 0.340 7.779 425 HG23 ILE 56 3HG2 ILE 56 -4.203 -0.252 9.332 426 HD11 ILE 56 1HD1 ILE 56 -2.403 3.075 7.116 427 HD12 ILE 56 2HD1 ILE 56 -3.116 2.806 5.508 428 HD13 ILE 56 3HD1 ILE 56 -4.098 2.555 6.945 429 H CYS 57 H CYS 57 -1.121 -1.473 9.455 430 HA CYS 57 HA CYS 57 -2.364 -1.513 12.192 431 HB2 CYS 57 2HB CYS 57 -3.032 -3.788 11.517 432 HB3 CYS 57 3HB CYS 57 -3.850 -2.507 10.665 433 H ARG 58 H ARG 58 -1.093 -4.381 12.029 434 HA ARG 58 HA ARG 58 1.742 -3.647 12.264 435 HB2 ARG 58 2HB ARG 58 0.592 -3.096 14.524 436 HB3 ARG 58 3HB ARG 58 0.344 -4.833 14.692 437 HG2 ARG 58 2HG ARG 58 3.079 -4.686 14.119 438 HG3 ARG 58 3HG ARG 58 2.796 -3.186 15.006 439 HD2 ARG 58 2HD ARG 58 1.560 -4.635 16.748 440 HD3 ARG 58 3HD ARG 58 2.231 -6.039 15.890 441 HE ARG 58 HE ARG 58 4.229 -4.068 16.629 442 HH11 ARG 58 1HH1 ARG 58 5.319 -5.816 19.502 443 HH12 ARG 58 2HH1 ARG 58 5.676 -4.521 18.425 444 HH21 ARG 58 1HH2 ARG 58 3.348 -7.089 19.228 445 HH22 ARG 58 2HH2 ARG 58 2.304 -6.737 17.899 446 H VAL 59 H VAL 59 0.094 -5.367 10.558 447 HA VAL 59 HA VAL 59 0.582 -8.099 11.585 448 HB VAL 59 HB VAL 59 -0.940 -7.223 9.099 449 HG11 VAL 59 1HG1 VAL 59 -1.018 -9.778 10.768 450 HG12 VAL 59 2HG1 VAL 59 -2.034 -9.428 9.354 451 HG13 VAL 59 3HG1 VAL 59 -0.289 -9.606 9.153 452 HG21 VAL 59 1HG2 VAL 59 -1.913 -7.607 11.965 453 HG22 VAL 59 2HG2 VAL 59 -2.099 -6.164 10.942 454 HG23 VAL 59 3HG2 VAL 59 -2.999 -7.629 10.560 455 H ASP 60 H ASP 60 1.964 -9.472 10.466 456 HA ASP 60 HA ASP 60 4.061 -8.192 8.893 457 HB2 ASP 60 2HB ASP 60 4.367 -10.055 10.622 458 HB3 ASP 60 3HB ASP 60 3.675 -11.159 9.428 459 H ILE 61 H ILE 61 4.369 -8.538 6.661 460 HA ILE 61 HA ILE 61 1.985 -9.574 5.210 461 HB ILE 61 HB ILE 61 2.459 -8.017 3.469 462 HG12 ILE 61 2HG1 ILE 61 4.786 -7.033 5.166 463 HG13 ILE 61 3HG1 ILE 61 4.933 -7.927 3.655 464 HG21 ILE 61 1HG2 ILE 61 1.168 -7.359 5.622 465 HG22 ILE 61 2HG2 ILE 61 2.623 -6.394 6.012 466 HG23 ILE 61 3HG2 ILE 61 1.676 -6.064 4.532 467 HD11 ILE 61 1HD1 ILE 61 3.708 -5.195 4.049 468 HD12 ILE 61 2HD1 ILE 61 5.188 -5.607 3.168 469 HD13 ILE 61 3HD1 ILE 61 3.600 -6.149 2.541 470 H GLU 62 H GLU 62 5.329 -10.007 5.727 471 HA GLU 62 HA GLU 62 6.160 -11.066 3.236 472 HB2 GLU 62 2HB GLU 62 7.552 -10.303 5.148 473 HB3 GLU 62 3HB GLU 62 7.172 -11.772 6.032 474 HG2 GLU 62 2HG GLU 62 8.245 -12.033 3.218 475 HG3 GLU 62 3HG GLU 62 9.348 -11.443 4.460 476 H ALA 63 H ALA 63 4.506 -12.367 2.454 477 HA ALA 63 HA ALA 63 4.518 -15.155 3.466 478 HB1 ALA 63 1HB ALA 63 2.038 -13.440 3.007 479 HB2 ALA 63 2HB ALA 63 2.037 -15.182 3.376 480 HB3 ALA 63 3HB ALA 63 2.630 -14.020 4.583 481 H GLN 64 H GLN 64 5.900 -14.242 1.295 482 HA GLN 64 HA GLN 64 4.458 -15.530 -0.936 483 HB2 GLN 64 2HB GLN 64 3.943 -13.103 -1.124 484 HB3 GLN 64 3HB GLN 64 5.676 -12.738 -1.165 485 HG2 GLN 64 2HG GLN 64 5.914 -14.043 -3.249 486 HG3 GLN 64 3HG GLN 64 4.208 -14.511 -3.166 487 HE21 GLN 64 1HE2 GLN 64 4.469 -13.507 -5.486 488 HE22 GLN 64 2HE2 GLN 64 4.234 -11.763 -5.564 489 H LEU 65 H LEU 65 5.815 -17.106 -1.438 490 HA LEU 65 HA LEU 65 7.636 -18.349 -1.827 491 HB2 LEU 65 2HB LEU 65 7.390 -16.761 -3.808 492 HB3 LEU 65 3HB LEU 65 8.750 -15.866 -3.135 493 HG LEU 65 HG LEU 65 9.948 -18.239 -3.099 494 HD11 LEU 65 1HD1 LEU 65 7.901 -19.542 -3.679 495 HD12 LEU 65 2HD1 LEU 65 7.776 -18.651 -5.209 496 HD13 LEU 65 3HD1 LEU 65 9.157 -19.722 -4.914 497 HD21 LEU 65 1HD2 LEU 65 10.669 -16.379 -4.511 498 HD22 LEU 65 2HD2 LEU 65 10.704 -17.886 -5.436 499 HD23 LEU 65 3HD2 LEU 65 9.375 -16.724 -5.684 500 HA PRO 66 HA PRO 66 10.199 -16.824 1.656 501 HB2 PRO 66 2HB PRO 66 10.571 -19.196 2.969 502 HB3 PRO 66 3HB PRO 66 9.051 -18.256 3.074 503 HG2 PRO 66 2HG PRO 66 9.656 -20.602 1.246 504 HG3 PRO 66 3HG PRO 66 8.232 -20.375 2.312 505 HD2 PRO 66 2HD PRO 66 8.160 -19.754 -0.332 506 HD3 PRO 66 3HD PRO 66 7.305 -18.736 0.871 507 H SER 67 H SER 67 10.824 -19.358 -0.744 508 HA SER 67 HA SER 67 13.548 -19.824 -0.054 509 HB2 SER 67 2HB SER 67 12.157 -20.212 -2.734 510 HB3 SER 67 3HB SER 67 13.586 -21.069 -2.114 511 HG SER 67 HG SER 67 11.686 -22.287 -1.829 512 H GLU 68 H GLU 68 14.438 -17.741 0.150 513 HA GLU 68 HA GLU 68 16.397 -16.760 -0.819 514 HB2 GLU 68 2HB GLU 68 15.870 -17.489 -3.169 515 HB3 GLU 68 3HB GLU 68 14.769 -16.092 -3.298 516 HG2 GLU 68 2HG GLU 68 16.681 -14.584 -2.767 517 HG3 GLU 68 3HG GLU 68 17.744 -15.991 -2.650 518 H SER 69 H SER 69 16.544 -14.989 0.526 519 HA SER 69 HA SER 69 15.000 -12.659 0.071 520 HB2 SER 69 2HB SER 69 13.307 -14.040 1.336 521 HB3 SER 69 3HB SER 69 14.481 -14.188 2.662 522 HG SER 69 HG SER 69 14.520 -11.795 2.540 Start of MODEL 5 1 H1 MET 1 H1 MET 1 0.953 25.788 -26.852 2 H2 MET 1 H2 MET 1 1.977 26.418 -27.990 3 H3 MET 1 H3 MET 1 2.461 26.242 -26.416 4 HA MET 1 HA MET 1 1.948 28.557 -26.862 5 HB2 MET 1 2HB MET 1 -0.710 27.297 -27.620 6 HB3 MET 1 3HB MET 1 -0.589 28.994 -27.127 7 HG2 MET 1 2HG MET 1 0.769 29.574 -28.971 8 HG3 MET 1 3HG MET 1 1.136 27.889 -29.358 9 HE1 MET 1 1HE MET 1 0.014 30.358 -31.300 10 HE2 MET 1 2HE MET 1 -1.734 30.281 -31.615 11 HE3 MET 1 3HE MET 1 -1.144 30.906 -30.059 12 H LYS 2 H LYS 2 2.577 28.600 -24.674 13 HA LYS 2 HA LYS 2 2.618 28.134 -22.484 14 HB2 LYS 2 2HB LYS 2 -0.397 28.437 -22.741 15 HB3 LYS 2 3HB LYS 2 0.392 28.078 -21.210 16 HG2 LYS 2 2HG LYS 2 1.668 30.090 -21.249 17 HG3 LYS 2 3HG LYS 2 1.235 30.447 -22.931 18 HD2 LYS 2 2HD LYS 2 -1.086 30.868 -22.318 19 HD3 LYS 2 3HD LYS 2 -0.795 30.270 -20.677 20 HE2 LYS 2 2HE LYS 2 -0.554 32.465 -20.174 21 HE3 LYS 2 3HE LYS 2 1.103 32.172 -20.709 22 HZ1 LYS 2 1HZ LYS 2 0.430 33.014 -22.901 23 HZ2 LYS 2 2HZ LYS 2 -1.083 33.329 -22.325 24 HZ3 LYS 2 3HZ LYS 2 0.211 34.136 -21.719 25 H GLN 3 H GLN 3 1.775 26.391 -20.795 26 HA GLN 3 HA GLN 3 0.723 23.933 -21.673 27 HB2 GLN 3 2HB GLN 3 2.770 22.528 -21.470 28 HB3 GLN 3 3HB GLN 3 2.760 23.512 -22.915 29 HG2 GLN 3 2HG GLN 3 4.347 25.086 -21.979 30 HG3 GLN 3 3HG GLN 3 4.261 24.335 -20.384 31 HE21 GLN 3 1HE2 GLN 3 6.518 24.666 -22.602 32 HE22 GLN 3 2HE2 GLN 3 7.159 23.027 -22.604 33 H ASP 4 H ASP 4 0.046 25.559 -19.514 34 HA ASP 4 HA ASP 4 0.906 23.929 -17.251 35 HB2 ASP 4 2HB ASP 4 2.610 25.734 -17.292 36 HB3 ASP 4 3HB ASP 4 1.323 26.951 -17.328 37 H GLY 5 H GLY 5 -0.734 23.841 -15.769 38 HA2 GLY 5 2HA GLY 5 -2.723 24.681 -14.710 39 HA3 GLY 5 3HA GLY 5 -3.145 25.551 -16.191 40 H GLU 6 H GLU 6 -3.257 22.408 -14.519 41 HA GLU 6 HA GLU 6 -5.469 21.673 -16.262 42 HB2 GLU 6 2HB GLU 6 -4.621 19.371 -16.564 43 HB3 GLU 6 3HB GLU 6 -3.652 20.576 -17.419 44 HG2 GLU 6 2HG GLU 6 -1.970 20.488 -15.531 45 HG3 GLU 6 3HG GLU 6 -2.921 19.186 -14.802 46 H GLU 7 H GLU 7 -7.087 20.679 -14.993 47 HA GLU 7 HA GLU 7 -6.410 19.144 -12.701 48 HB2 GLU 7 2HB GLU 7 -6.344 21.535 -11.783 49 HB3 GLU 7 3HB GLU 7 -8.060 21.669 -12.197 50 HG2 GLU 7 2HG GLU 7 -8.532 19.678 -10.761 51 HG3 GLU 7 3HG GLU 7 -6.814 19.559 -10.368 52 H GLY 8 H GLY 8 -7.960 17.504 -12.880 53 HA2 GLY 8 2HA GLY 8 -10.734 18.096 -13.423 54 HA3 GLY 8 3HA GLY 8 -9.904 17.359 -14.812 55 H THR 9 H THR 9 -12.030 16.272 -12.877 56 HA THR 9 HA THR 9 -11.032 13.621 -12.692 57 HB THR 9 HB THR 9 -9.841 14.475 -10.747 58 HG1 THR 9 1HG THR 9 -12.057 13.042 -9.756 59 HG21 THR 9 1HG2 THR 9 -12.578 15.311 -9.729 60 HG22 THR 9 2HG2 THR 9 -11.051 15.361 -8.810 61 HG23 THR 9 3HG2 THR 9 -11.267 16.398 -10.234 62 H GLU 10 H GLU 10 -12.782 12.227 -11.934 63 HA GLU 10 HA GLU 10 -15.480 13.514 -12.012 64 HB2 GLU 10 2HB GLU 10 -16.214 11.115 -12.587 65 HB3 GLU 10 3HB GLU 10 -15.506 12.125 -13.833 66 HG2 GLU 10 2HG GLU 10 -13.837 10.087 -12.308 67 HG3 GLU 10 3HG GLU 10 -14.784 9.669 -13.729 68 H GLU 11 H GLU 11 -13.818 10.648 -10.464 69 HA GLU 11 HA GLU 11 -14.594 11.651 -7.867 70 HB2 GLU 11 2HB GLU 11 -16.643 10.404 -8.356 71 HB3 GLU 11 3HB GLU 11 -15.720 9.040 -8.986 72 HG2 GLU 11 2HG GLU 11 -16.597 8.591 -6.725 73 HG3 GLU 11 3HG GLU 11 -14.841 8.519 -6.767 74 H ASP 12 H ASP 12 -12.797 11.234 -6.655 75 HA ASP 12 HA ASP 12 -11.926 8.659 -6.431 76 HB2 ASP 12 2HB ASP 12 -10.511 9.313 -8.478 77 HB3 ASP 12 3HB ASP 12 -9.595 10.334 -7.381 78 H THR 13 H THR 13 -12.668 9.294 -4.387 79 HA THR 13 HA THR 13 -10.618 10.790 -2.798 80 HB THR 13 HB THR 13 -13.551 11.006 -2.143 81 HG1 THR 13 1HG THR 13 -13.478 11.709 -4.227 82 HG21 THR 13 1HG2 THR 13 -11.162 12.891 -1.825 83 HG22 THR 13 2HG2 THR 13 -12.816 13.215 -1.266 84 HG23 THR 13 3HG2 THR 13 -11.873 11.913 -0.520 85 H GLU 14 H GLU 14 -11.141 7.819 -3.193 86 HA GLU 14 HA GLU 14 -11.312 7.198 -0.285 87 HB2 GLU 14 2HB GLU 14 -12.845 5.938 -2.566 88 HB3 GLU 14 3HB GLU 14 -12.299 4.956 -1.210 89 HG2 GLU 14 2HG GLU 14 -13.365 6.717 0.338 90 HG3 GLU 14 3HG GLU 14 -14.168 7.348 -1.105 91 H GLU 15 H GLU 15 -10.204 5.973 -3.556 92 HA GLU 15 HA GLU 15 -8.579 4.019 -2.185 93 HB2 GLU 15 2HB GLU 15 -8.711 4.801 -5.124 94 HB3 GLU 15 3HB GLU 15 -7.856 3.403 -4.434 95 HG2 GLU 15 2HG GLU 15 -10.170 2.853 -3.313 96 HG3 GLU 15 3HG GLU 15 -10.838 3.909 -4.560 97 H LYS 16 H LYS 16 -7.290 5.257 -0.790 98 HA LYS 16 HA LYS 16 -5.140 6.830 -2.106 99 HB2 LYS 16 2HB LYS 16 -6.571 8.153 -0.605 100 HB3 LYS 16 3HB LYS 16 -6.308 6.983 0.704 101 HG2 LYS 16 2HG LYS 16 -4.024 7.518 0.897 102 HG3 LYS 16 3HG LYS 16 -4.009 8.423 -0.611 103 HD2 LYS 16 2HD LYS 16 -5.768 9.360 1.666 104 HD3 LYS 16 3HD LYS 16 -4.028 9.686 1.674 105 HE2 LYS 16 2HE LYS 16 -4.393 10.520 -0.778 106 HE3 LYS 16 3HE LYS 16 -6.102 10.638 -0.323 107 HZ1 LYS 16 1HZ LYS 16 -3.804 11.969 0.972 108 HZ2 LYS 16 2HZ LYS 16 -4.931 12.703 0.042 109 HZ3 LYS 16 3HZ LYS 16 -5.362 12.090 1.514 110 H CYS 17 H CYS 17 -3.180 6.160 -1.969 111 HA CYS 17 HA CYS 17 -2.205 3.623 -0.848 112 HB2 CYS 17 2HB CYS 17 -1.288 4.915 -2.815 113 HB3 CYS 17 3HB CYS 17 -0.818 6.192 -1.707 114 H THR 18 H THR 18 -2.051 3.334 1.380 115 HA THR 18 HA THR 18 -2.127 5.530 3.163 116 HB THR 18 HB THR 18 -2.606 2.954 3.490 117 HG1 THR 18 1HG THR 18 -3.041 4.657 4.983 118 HG21 THR 18 1HG2 THR 18 -0.948 1.821 4.820 119 HG22 THR 18 2HG2 THR 18 -0.161 2.341 3.305 120 HG23 THR 18 3HG2 THR 18 0.116 3.230 4.821 121 H ILE 19 H ILE 19 0.664 4.096 1.497 122 HA ILE 19 HA ILE 19 2.603 5.116 3.361 123 HB ILE 19 HB ILE 19 2.652 3.873 0.614 124 HG12 ILE 19 2HG1 ILE 19 3.922 2.829 3.158 125 HG13 ILE 19 3HG1 ILE 19 2.186 2.613 2.898 126 HG21 ILE 19 1HG2 ILE 19 4.552 5.323 0.586 127 HG22 ILE 19 2HG2 ILE 19 4.951 4.952 2.283 128 HG23 ILE 19 3HG2 ILE 19 5.186 3.733 1.017 129 HD11 ILE 19 1HD1 ILE 19 3.470 0.672 2.096 130 HD12 ILE 19 2HD1 ILE 19 2.572 1.478 0.783 131 HD13 ILE 19 3HD1 ILE 19 4.321 1.707 0.939 132 H CYS 20 H CYS 20 1.565 6.055 0.018 133 HA CYS 20 HA CYS 20 3.236 8.523 0.040 134 HB2 CYS 20 2HB CYS 20 0.968 7.799 -1.840 135 HB3 CYS 20 3HB CYS 20 2.251 8.993 -2.053 136 H LEU 21 H LEU 21 0.153 7.590 1.325 137 HA LEU 21 HA LEU 21 -1.809 8.570 1.683 138 HB2 LEU 21 2HB LEU 21 0.032 10.805 2.558 139 HB3 LEU 21 3HB LEU 21 -1.685 10.706 2.985 140 HG LEU 21 HG LEU 21 0.317 8.501 3.618 141 HD11 LEU 21 1HD1 LEU 21 0.995 9.498 5.466 142 HD12 LEU 21 2HD1 LEU 21 0.379 11.005 4.769 143 HD13 LEU 21 3HD1 LEU 21 -0.629 10.073 5.898 144 HD21 LEU 21 1HD2 LEU 21 -2.053 7.765 3.609 145 HD22 LEU 21 2HD2 LEU 21 -1.407 7.785 5.245 146 HD23 LEU 21 3HD2 LEU 21 -2.480 9.098 4.703 147 H SER 22 H SER 22 -1.180 8.554 -0.939 148 HA SER 22 HA SER 22 -2.327 11.092 -1.969 149 HB2 SER 22 2HB SER 22 0.203 10.814 -2.369 150 HB3 SER 22 3HB SER 22 -0.238 9.468 -3.449 151 HG SER 22 HG SER 22 -0.161 11.393 -4.623 152 H ILE 23 H ILE 23 -3.696 10.760 -3.845 153 HA ILE 23 HA ILE 23 -5.247 8.349 -3.625 154 HB ILE 23 HB ILE 23 -5.264 10.865 -5.320 155 HG12 ILE 23 2HG1 ILE 23 -5.939 11.008 -2.884 156 HG13 ILE 23 3HG1 ILE 23 -7.152 11.544 -4.040 157 HG21 ILE 23 1HG2 ILE 23 -6.213 9.320 -6.797 158 HG22 ILE 23 2HG2 ILE 23 -7.147 8.515 -5.527 159 HG23 ILE 23 3HG2 ILE 23 -7.567 10.168 -6.052 160 HD11 ILE 23 1HD1 ILE 23 -7.163 8.786 -2.734 161 HD12 ILE 23 2HD1 ILE 23 -8.112 10.181 -2.189 162 HD13 ILE 23 3HD1 ILE 23 -8.420 9.469 -3.777 163 H LEU 24 H LEU 24 -5.643 6.917 -5.332 164 HA LEU 24 HA LEU 24 -3.308 6.289 -7.004 165 HB2 LEU 24 2HB LEU 24 -5.852 4.773 -6.212 166 HB3 LEU 24 3HB LEU 24 -4.483 4.059 -7.079 167 HG LEU 24 HG LEU 24 -4.247 5.252 -4.273 168 HD11 LEU 24 1HD1 LEU 24 -5.676 3.322 -4.254 169 HD12 LEU 24 2HD1 LEU 24 -4.481 2.371 -5.165 170 HD13 LEU 24 3HD1 LEU 24 -4.115 2.945 -3.511 171 HD21 LEU 24 1HD2 LEU 24 -2.108 3.796 -4.459 172 HD22 LEU 24 2HD2 LEU 24 -2.392 3.864 -6.207 173 HD23 LEU 24 3HD2 LEU 24 -2.175 5.375 -5.301 174 H GLU 25 H GLU 25 -5.099 4.720 -8.825 175 HA GLU 25 HA GLU 25 -7.329 6.256 -9.543 176 HB2 GLU 25 2HB GLU 25 -6.885 6.648 -11.875 177 HB3 GLU 25 3HB GLU 25 -5.675 7.492 -10.904 178 HG2 GLU 25 2HG GLU 25 -4.001 5.814 -11.387 179 HG3 GLU 25 3HG GLU 25 -5.167 4.815 -12.265 180 H GLU 26 H GLU 26 -8.339 4.998 -11.634 181 HA GLU 26 HA GLU 26 -8.538 2.220 -10.890 182 HB2 GLU 26 2HB GLU 26 -10.420 3.382 -11.918 183 HB3 GLU 26 3HB GLU 26 -9.454 3.795 -13.335 184 HG2 GLU 26 2HG GLU 26 -10.988 1.964 -13.833 185 HG3 GLU 26 3HG GLU 26 -9.321 1.432 -13.996 186 H GLY 27 H GLY 27 -7.345 0.544 -11.578 187 HA2 GLY 27 2HA GLY 27 -5.811 -0.720 -12.733 188 HA3 GLY 27 3HA GLY 27 -6.090 0.370 -14.099 189 H GLU 28 H GLU 28 -4.809 1.874 -11.162 190 HA GLU 28 HA GLU 28 -2.297 2.433 -12.480 191 HB2 GLU 28 2HB GLU 28 -3.697 3.665 -10.520 192 HB3 GLU 28 3HB GLU 28 -2.635 2.697 -9.512 193 HG2 GLU 28 2HG GLU 28 -0.696 3.707 -10.947 194 HG3 GLU 28 3HG GLU 28 -1.898 4.822 -11.575 195 H ASP 29 H ASP 29 -0.201 1.852 -11.312 196 HA ASP 29 HA ASP 29 0.037 -0.967 -10.900 197 HB2 ASP 29 2HB ASP 29 2.040 1.159 -10.070 198 HB3 ASP 29 3HB ASP 29 2.336 -0.538 -10.470 199 H VAL 30 H VAL 30 -0.967 -1.896 -9.071 200 HA VAL 30 HA VAL 30 -0.402 -0.694 -6.456 201 HB VAL 30 HB VAL 30 -2.776 -1.000 -5.805 202 HG11 VAL 30 1HG1 VAL 30 -2.380 0.923 -8.124 203 HG12 VAL 30 2HG1 VAL 30 -3.629 1.031 -6.880 204 HG13 VAL 30 3HG1 VAL 30 -1.922 1.227 -6.436 205 HG21 VAL 30 1HG2 VAL 30 -3.302 -1.392 -8.775 206 HG22 VAL 30 2HG2 VAL 30 -3.529 -2.606 -7.501 207 HG23 VAL 30 3HG2 VAL 30 -4.527 -1.140 -7.530 208 H ARG 31 H ARG 31 -0.660 -2.127 -4.732 209 HA ARG 31 HA ARG 31 -0.514 -4.959 -5.479 210 HB2 ARG 31 2HB ARG 31 1.431 -3.190 -4.072 211 HB3 ARG 31 3HB ARG 31 1.149 -4.701 -3.226 212 HG2 ARG 31 2HG ARG 31 2.043 -4.519 -6.109 213 HG3 ARG 31 3HG ARG 31 3.114 -4.718 -4.739 214 HD2 ARG 31 2HD ARG 31 2.886 -6.899 -5.522 215 HD3 ARG 31 3HD ARG 31 1.794 -6.832 -4.144 216 HE ARG 31 HE ARG 31 0.083 -7.358 -5.557 217 HH11 ARG 31 1HH1 ARG 31 -0.272 -7.164 -9.049 218 HH12 ARG 31 2HH1 ARG 31 -1.046 -7.598 -7.574 219 HH21 ARG 31 1HH2 ARG 31 1.890 -6.193 -9.021 220 HH22 ARG 31 2HH2 ARG 31 2.652 -5.924 -7.502 221 H ARG 32 H ARG 32 -0.506 -6.231 -3.223 222 HA ARG 32 HA ARG 32 -2.568 -5.141 -1.463 223 HB2 ARG 32 2HB ARG 32 -3.895 -6.323 -3.095 224 HB3 ARG 32 3HB ARG 32 -2.713 -7.631 -3.215 225 HG2 ARG 32 2HG ARG 32 -4.648 -8.423 -2.019 226 HG3 ARG 32 3HG ARG 32 -3.264 -8.395 -0.945 227 HD2 ARG 32 2HD ARG 32 -4.817 -7.426 0.432 228 HD3 ARG 32 3HD ARG 32 -4.159 -5.979 -0.286 229 HE ARG 32 HE ARG 32 -6.141 -5.514 -1.260 230 HH11 ARG 32 1HH1 ARG 32 -9.041 -7.450 -1.815 231 HH12 ARG 32 2HH1 ARG 32 -8.332 -5.886 -1.954 232 HH21 ARG 32 1HH2 ARG 32 -7.757 -9.249 -0.923 233 HH22 ARG 32 2HH2 ARG 32 -6.148 -8.928 -0.378 234 H LEU 33 H LEU 33 -2.378 -6.080 0.647 235 HA LEU 33 HA LEU 33 -0.207 -8.030 1.095 236 HB2 LEU 33 2HB LEU 33 -0.488 -6.580 3.460 237 HB3 LEU 33 3HB LEU 33 0.847 -6.437 2.324 238 HG LEU 33 HG LEU 33 -1.664 -4.755 2.019 239 HD11 LEU 33 1HD1 LEU 33 -0.912 -4.501 4.350 240 HD12 LEU 33 2HD1 LEU 33 0.741 -4.164 3.795 241 HD13 LEU 33 3HD1 LEU 33 -0.576 -3.045 3.405 242 HD21 LEU 33 1HD2 LEU 33 0.225 -4.808 0.229 243 HD22 LEU 33 2HD2 LEU 33 -0.175 -3.222 0.898 244 HD23 LEU 33 3HD2 LEU 33 1.266 -4.098 1.466 245 HA PRO 34 HA PRO 34 -3.115 -10.529 2.983 246 HB2 PRO 34 2HB PRO 34 -2.143 -11.287 5.469 247 HB3 PRO 34 3HB PRO 34 -1.556 -11.905 3.896 248 HG2 PRO 34 2HG PRO 34 -0.354 -9.751 5.626 249 HG3 PRO 34 3HG PRO 34 0.472 -11.052 4.711 250 HD2 PRO 34 2HD PRO 34 0.282 -8.471 3.832 251 HD3 PRO 34 3HD PRO 34 0.349 -9.828 2.708 252 H CYS 35 H CYS 35 -2.144 -7.827 4.975 253 HA CYS 35 HA CYS 35 -4.571 -7.512 6.627 254 HB2 CYS 35 2HB CYS 35 -2.390 -6.861 7.299 255 HB3 CYS 35 3HB CYS 35 -2.154 -5.852 5.895 256 H MET 36 H MET 36 -4.958 -7.874 3.606 257 HA MET 36 HA MET 36 -6.132 -7.007 1.905 258 HB2 MET 36 2HB MET 36 -7.937 -6.305 4.230 259 HB3 MET 36 3HB MET 36 -8.414 -6.446 2.528 260 HG2 MET 36 2HG MET 36 -7.282 -8.812 2.658 261 HG3 MET 36 3HG MET 36 -7.452 -8.610 4.399 262 HE1 MET 36 1HE MET 36 -10.830 -9.146 1.282 263 HE2 MET 36 2HE MET 36 -9.745 -7.740 1.221 264 HE3 MET 36 3HE MET 36 -9.091 -9.384 1.009 265 H HIS 37 H HIS 37 -4.119 -5.127 2.664 266 HA HIS 37 HA HIS 37 -5.511 -2.533 2.393 267 HB2 HIS 37 1HB HIS 37 -3.125 -3.501 3.798 268 HB3 HIS 37 2HB HIS 37 -2.732 -2.132 2.770 269 HD2 HIS 37 2HD HIS 37 -5.272 -0.297 3.107 270 HE1 HIS 37 1HE HIS 37 -4.516 -0.441 7.291 271 HE2 HIS 37 2HE HIS 37 -5.742 0.807 5.431 272 H LEU 38 H LEU 38 -5.256 -1.230 0.595 273 HA LEU 38 HA LEU 38 -3.948 -2.454 -1.758 274 HB2 LEU 38 2HB LEU 38 -6.378 -1.773 -1.848 275 HB3 LEU 38 3HB LEU 38 -5.899 -0.124 -1.443 276 HG LEU 38 HG LEU 38 -4.378 -0.249 -3.571 277 HD11 LEU 38 1HD1 LEU 38 -4.637 -2.741 -3.864 278 HD12 LEU 38 2HD1 LEU 38 -6.364 -2.474 -4.211 279 HD13 LEU 38 3HD1 LEU 38 -5.126 -1.807 -5.285 280 HD21 LEU 38 1HD2 LEU 38 -6.406 1.140 -3.388 281 HD22 LEU 38 2HD2 LEU 38 -6.276 0.420 -4.999 282 HD23 LEU 38 3HD2 LEU 38 -7.416 -0.249 -3.820 283 H PHE 39 H PHE 39 -1.899 -1.717 -2.143 284 HA PHE 39 HA PHE 39 -1.170 1.086 -1.354 285 HB2 PHE 39 2HB PHE 39 0.442 -1.503 -1.216 286 HB3 PHE 39 3HB PHE 39 1.184 0.072 -1.163 287 HD1 PHE 39 1HD PHE 39 2.141 -1.155 0.850 288 HD2 PHE 39 2HD PHE 39 -1.876 0.345 0.774 289 HE1 PHE 39 1HE PHE 39 2.070 -1.234 3.314 290 HE2 PHE 39 2HE PHE 39 -1.971 0.252 3.209 291 HZ PHE 39 HZ PHE 39 -0.004 -0.512 4.516 292 H HIS 40 H HIS 40 0.962 1.673 -2.749 293 HA HIS 40 HA HIS 40 0.372 1.132 -5.620 294 HB2 HIS 40 1HB HIS 40 2.464 2.729 -4.143 295 HB3 HIS 40 2HB HIS 40 2.699 2.339 -5.825 296 HD2 HIS 40 2HD HIS 40 0.520 3.182 -7.531 297 HE1 HIS 40 1HE HIS 40 0.260 6.805 -5.307 298 HE2 HIS 40 2HE HIS 40 -0.355 5.623 -7.514 299 H GLN 41 H GLN 41 2.061 0.237 -6.964 300 HA GLN 41 HA GLN 41 3.608 -1.983 -6.187 301 HB2 GLN 41 2HB GLN 41 3.185 -0.374 -8.522 302 HB3 GLN 41 3HB GLN 41 4.912 -0.421 -8.294 303 HG2 GLN 41 2HG GLN 41 4.537 -2.222 -9.674 304 HG3 GLN 41 3HG GLN 41 4.691 -2.976 -8.083 305 HE21 GLN 41 1HE2 GLN 41 2.924 -3.229 -10.872 306 HE22 GLN 41 2HE2 GLN 41 1.375 -3.682 -10.181 307 H VAL 42 H VAL 42 4.912 1.317 -6.909 308 HA VAL 42 HA VAL 42 7.464 0.581 -5.936 309 HB VAL 42 HB VAL 42 6.285 3.328 -6.527 310 HG11 VAL 42 1HG1 VAL 42 8.275 3.633 -5.128 311 HG12 VAL 42 2HG1 VAL 42 9.184 2.460 -6.107 312 HG13 VAL 42 3HG1 VAL 42 8.687 4.018 -6.803 313 HG21 VAL 42 1HG2 VAL 42 6.315 1.786 -8.474 314 HG22 VAL 42 2HG2 VAL 42 7.540 3.042 -8.663 315 HG23 VAL 42 3HG2 VAL 42 8.021 1.412 -8.157 316 H CYS 43 H CYS 43 4.859 2.513 -4.349 317 HA CYS 43 HA CYS 43 6.289 3.142 -1.955 318 HB2 CYS 43 2HB CYS 43 3.360 2.402 -2.137 319 HB3 CYS 43 3HB CYS 43 4.175 3.358 -0.925 320 H VAL 44 H VAL 44 4.316 0.096 -2.734 321 HA VAL 44 HA VAL 44 4.965 -0.840 -0.141 322 HB VAL 44 HB VAL 44 2.924 -1.427 -1.518 323 HG11 VAL 44 1HG1 VAL 44 4.033 -2.326 -3.531 324 HG12 VAL 44 2HG1 VAL 44 4.860 -3.548 -2.542 325 HG13 VAL 44 3HG1 VAL 44 3.102 -3.582 -2.679 326 HG21 VAL 44 1HG2 VAL 44 3.781 -2.455 0.695 327 HG22 VAL 44 2HG2 VAL 44 2.607 -3.378 -0.284 328 HG23 VAL 44 3HG2 VAL 44 4.347 -3.792 -0.296 329 H ASP 45 H ASP 45 6.654 -1.040 -3.203 330 HA ASP 45 HA ASP 45 8.352 -3.271 -2.629 331 HB2 ASP 45 2HB ASP 45 8.425 -2.254 -4.829 332 HB3 ASP 45 3HB ASP 45 8.898 -0.692 -4.163 333 H GLN 46 H GLN 46 8.967 0.230 -2.146 334 HA GLN 46 HA GLN 46 11.188 -0.262 -0.417 335 HB2 GLN 46 2HB GLN 46 9.410 2.185 -0.850 336 HB3 GLN 46 3HB GLN 46 10.832 2.214 0.204 337 HG2 GLN 46 2HG GLN 46 10.900 1.473 -2.761 338 HG3 GLN 46 3HG GLN 46 11.306 3.058 -2.096 339 HE21 GLN 46 1HE2 GLN 46 12.518 -0.185 -2.722 340 HE22 GLN 46 2HE2 GLN 46 14.075 0.097 -1.942 341 H ALA 47 H ALA 47 7.756 -0.156 0.281 342 HA ALA 47 HA ALA 47 8.010 0.148 3.110 343 HB1 ALA 47 1HB ALA 47 5.945 -1.469 1.568 344 HB2 ALA 47 2HB ALA 47 5.776 -0.797 3.204 345 HB3 ALA 47 3HB ALA 47 5.899 0.295 1.802 346 H LEU 48 H LEU 48 7.511 -2.870 1.219 347 HA LEU 48 HA LEU 48 7.845 -4.678 3.288 348 HB2 LEU 48 2HB LEU 48 6.891 -4.965 0.964 349 HB3 LEU 48 3HB LEU 48 8.528 -5.128 0.345 350 HG LEU 48 HG LEU 48 7.358 -6.926 2.525 351 HD11 LEU 48 1HD1 LEU 48 5.971 -7.019 0.465 352 HD12 LEU 48 2HD1 LEU 48 7.425 -7.392 -0.486 353 HD13 LEU 48 3HD1 LEU 48 6.838 -8.534 0.745 354 HD21 LEU 48 1HD2 LEU 48 9.056 -8.561 1.634 355 HD22 LEU 48 2HD2 LEU 48 9.750 -7.244 0.663 356 HD23 LEU 48 3HD2 LEU 48 9.766 -7.169 2.443 357 H ILE 49 H ILE 49 10.364 -3.515 0.934 358 HA ILE 49 HA ILE 49 12.432 -5.062 2.153 359 HB ILE 49 HB ILE 49 13.988 -3.791 0.902 360 HG12 ILE 49 2HG1 ILE 49 12.775 -1.854 -0.570 361 HG13 ILE 49 3HG1 ILE 49 12.014 -1.649 1.021 362 HG21 ILE 49 1HG2 ILE 49 11.511 -4.083 -0.822 363 HG22 ILE 49 2HG2 ILE 49 13.200 -4.143 -1.329 364 HG23 ILE 49 3HG2 ILE 49 12.547 -5.423 -0.293 365 HD11 ILE 49 1HD1 ILE 49 15.003 -1.697 0.465 366 HD12 ILE 49 2HD1 ILE 49 14.027 -0.266 0.861 367 HD13 ILE 49 3HD1 ILE 49 14.266 -1.541 2.072 368 H THR 50 H THR 50 11.088 -1.849 3.007 369 HA THR 50 HA THR 50 13.221 -1.229 4.819 370 HB THR 50 HB THR 50 10.389 -0.204 4.464 371 HG1 THR 50 1HG THR 50 11.855 0.568 3.051 372 HG21 THR 50 1HG2 THR 50 12.357 0.659 6.610 373 HG22 THR 50 2HG2 THR 50 10.931 1.585 6.090 374 HG23 THR 50 3HG2 THR 50 10.714 0.009 6.859 375 H ASN 51 H ASN 51 10.100 -2.968 5.111 376 HA ASN 51 HA ASN 51 11.031 -4.643 7.159 377 HB2 ASN 51 2HB ASN 51 9.903 -2.155 8.152 378 HB3 ASN 51 3HB ASN 51 8.716 -3.420 8.433 379 HD21 ASN 51 1HD2 ASN 51 12.160 -2.604 8.925 380 HD22 ASN 51 2HD2 ASN 51 12.329 -3.549 10.400 381 H LYS 52 H LYS 52 9.667 -6.483 7.071 382 HA LYS 52 HA LYS 52 7.388 -6.349 5.213 383 HB2 LYS 52 2HB LYS 52 7.286 -8.698 5.457 384 HB3 LYS 52 3HB LYS 52 8.950 -8.221 5.166 385 HG2 LYS 52 2HG LYS 52 8.349 -8.333 8.074 386 HG3 LYS 52 3HG LYS 52 7.888 -9.791 7.215 387 HD2 LYS 52 2HD LYS 52 10.395 -9.433 6.225 388 HD3 LYS 52 3HD LYS 52 10.564 -8.738 7.843 389 HE2 LYS 52 2HE LYS 52 9.714 -11.524 6.988 390 HE3 LYS 52 3HE LYS 52 11.058 -11.115 8.041 391 HZ1 LYS 52 1HZ LYS 52 9.480 -10.706 9.800 392 HZ2 LYS 52 2HZ LYS 52 8.189 -10.775 8.797 393 HZ3 LYS 52 3HZ LYS 52 9.051 -12.126 9.027 394 H LYS 53 H LYS 53 6.656 -4.560 7.088 395 HA LYS 53 HA LYS 53 4.455 -5.995 8.401 396 HB2 LYS 53 2HB LYS 53 6.500 -4.252 9.829 397 HB3 LYS 53 3HB LYS 53 4.828 -4.397 10.419 398 HG2 LYS 53 2HG LYS 53 4.999 -6.807 10.522 399 HG3 LYS 53 3HG LYS 53 6.640 -6.790 9.866 400 HD2 LYS 53 2HD LYS 53 7.556 -5.835 11.815 401 HD3 LYS 53 3HD LYS 53 5.955 -5.438 12.492 402 HE2 LYS 53 2HE LYS 53 6.723 -8.287 11.735 403 HE3 LYS 53 3HE LYS 53 7.145 -7.627 13.327 404 HZ1 LYS 53 1HZ LYS 53 4.843 -7.277 13.778 405 HZ2 LYS 53 2HZ LYS 53 4.386 -7.632 12.269 406 HZ3 LYS 53 3HZ LYS 53 4.993 -8.831 13.229 407 H CYS 54 H CYS 54 2.599 -4.926 8.090 408 HA CYS 54 HA CYS 54 2.417 -2.854 6.073 409 HB2 CYS 54 2HB CYS 54 0.629 -4.452 6.547 410 HB3 CYS 54 3HB CYS 54 0.538 -3.841 8.198 411 HA PRO 55 HA PRO 55 3.940 0.211 8.895 412 HB2 PRO 55 2HB PRO 55 3.644 2.513 7.397 413 HB3 PRO 55 3HB PRO 55 4.868 1.248 7.073 414 HG2 PRO 55 2HG PRO 55 2.139 1.567 5.783 415 HG3 PRO 55 3HG PRO 55 3.728 1.317 4.978 416 HD2 PRO 55 2HD PRO 55 2.047 -0.752 5.447 417 HD3 PRO 55 3HD PRO 55 3.817 -0.952 5.664 418 H ILE 56 H ILE 56 0.619 -0.103 8.324 419 HA ILE 56 HA ILE 56 0.100 1.933 10.411 420 HB ILE 56 HB ILE 56 -0.392 2.782 8.117 421 HG12 ILE 56 2HG1 ILE 56 -2.616 3.683 8.509 422 HG13 ILE 56 3HG1 ILE 56 -2.888 2.569 9.843 423 HG21 ILE 56 1HG2 ILE 56 -2.590 0.692 8.079 424 HG22 ILE 56 2HG2 ILE 56 -2.318 1.962 6.874 425 HG23 ILE 56 3HG2 ILE 56 -1.123 0.672 7.070 426 HD11 ILE 56 1HD1 ILE 56 -0.659 4.655 9.716 427 HD12 ILE 56 2HD1 ILE 56 -2.197 4.849 10.581 428 HD13 ILE 56 3HD1 ILE 56 -1.042 3.620 11.114 429 H CYS 57 H CYS 57 0.409 -1.132 10.185 430 HA CYS 57 HA CYS 57 -2.048 -1.875 11.805 431 HB2 CYS 57 2HB CYS 57 -0.951 -3.610 9.629 432 HB3 CYS 57 3HB CYS 57 -2.459 -3.791 10.513 433 H ARG 58 H ARG 58 1.297 -2.676 10.773 434 HA ARG 58 HA ARG 58 3.030 -3.493 11.895 435 HB2 ARG 58 2HB ARG 58 1.760 -2.424 13.962 436 HB3 ARG 58 3HB ARG 58 1.523 -4.123 14.415 437 HG2 ARG 58 2HG ARG 58 4.053 -4.422 14.150 438 HG3 ARG 58 3HG ARG 58 4.150 -2.670 13.880 439 HD2 ARG 58 2HD ARG 58 2.912 -2.408 16.115 440 HD3 ARG 58 3HD ARG 58 3.204 -4.144 16.364 441 HE ARG 58 HE ARG 58 5.614 -2.710 15.679 442 HH11 ARG 58 1HH1 ARG 58 6.749 -2.337 18.997 443 HH12 ARG 58 2HH1 ARG 58 7.172 -2.199 17.331 444 HH21 ARG 58 1HH2 ARG 58 4.560 -3.028 19.606 445 HH22 ARG 58 2HH2 ARG 58 3.420 -3.381 18.356 446 H VAL 59 H VAL 59 0.123 -5.283 11.515 447 HA VAL 59 HA VAL 59 0.839 -7.934 11.905 448 HB VAL 59 HB VAL 59 -0.651 -8.298 9.944 449 HG11 VAL 59 1HG1 VAL 59 -1.659 -7.812 12.158 450 HG12 VAL 59 2HG1 VAL 59 -1.709 -6.082 11.758 451 HG13 VAL 59 3HG1 VAL 59 -2.660 -7.240 10.816 452 HG21 VAL 59 1HG2 VAL 59 0.046 -5.482 9.405 453 HG22 VAL 59 2HG2 VAL 59 -0.303 -6.796 8.300 454 HG23 VAL 59 3HG2 VAL 59 -1.638 -5.939 9.126 455 H ASP 60 H ASP 60 2.039 -9.422 10.633 456 HA ASP 60 HA ASP 60 4.222 -8.192 9.080 457 HB2 ASP 60 2HB ASP 60 4.485 -9.958 10.955 458 HB3 ASP 60 3HB ASP 60 3.878 -11.121 9.770 459 H ILE 61 H ILE 61 4.631 -8.883 6.924 460 HA ILE 61 HA ILE 61 2.262 -9.959 5.476 461 HB ILE 61 HB ILE 61 2.781 -8.483 3.663 462 HG12 ILE 61 2HG1 ILE 61 4.857 -7.148 5.421 463 HG13 ILE 61 3HG1 ILE 61 5.289 -8.299 4.146 464 HG21 ILE 61 1HG2 ILE 61 1.343 -7.788 5.690 465 HG22 ILE 61 2HG2 ILE 61 2.741 -6.782 6.164 466 HG23 ILE 61 3HG2 ILE 61 1.896 -6.493 4.618 467 HD11 ILE 61 1HD1 ILE 61 3.789 -5.695 3.767 468 HD12 ILE 61 2HD1 ILE 61 5.479 -6.030 3.344 469 HD13 ILE 61 3HD1 ILE 61 4.170 -6.909 2.502 470 H GLU 62 H GLU 62 5.608 -10.350 6.087 471 HA GLU 62 HA GLU 62 6.460 -11.664 3.695 472 HB2 GLU 62 2HB GLU 62 8.034 -11.005 5.375 473 HB3 GLU 62 3HB GLU 62 7.217 -11.955 6.620 474 HG2 GLU 62 2HG GLU 62 8.052 -13.677 4.422 475 HG3 GLU 62 3HG GLU 62 9.399 -12.684 4.968 476 H ALA 63 H ALA 63 5.418 -13.365 2.768 477 HA ALA 63 HA ALA 63 4.669 -15.667 4.423 478 HB1 ALA 63 1HB ALA 63 2.613 -14.315 4.412 479 HB2 ALA 63 2HB ALA 63 2.700 -14.147 2.646 480 HB3 ALA 63 3HB ALA 63 2.406 -15.744 3.374 481 H GLN 64 H GLN 64 6.077 -16.968 3.412 482 HA GLN 64 HA GLN 64 7.260 -18.097 1.883 483 HB2 GLN 64 2HB GLN 64 4.958 -17.448 0.003 484 HB3 GLN 64 3HB GLN 64 6.366 -18.380 -0.488 485 HG2 GLN 64 2HG GLN 64 5.944 -20.077 1.187 486 HG3 GLN 64 3HG GLN 64 4.631 -19.126 1.896 487 HE21 GLN 64 1HE2 GLN 64 5.601 -20.906 -1.121 488 HE22 GLN 64 2HE2 GLN 64 3.929 -21.161 -1.600 489 H LEU 65 H LEU 65 8.448 -17.826 -0.217 490 HA LEU 65 HA LEU 65 10.361 -16.750 -0.897 491 HB2 LEU 65 2HB LEU 65 8.196 -16.733 -2.475 492 HB3 LEU 65 3HB LEU 65 8.495 -15.004 -2.466 493 HG LEU 65 HG LEU 65 10.538 -17.177 -3.144 494 HD11 LEU 65 1HD1 LEU 65 8.983 -15.310 -4.980 495 HD12 LEU 65 2HD1 LEU 65 10.224 -16.483 -5.479 496 HD13 LEU 65 3HD1 LEU 65 8.699 -17.055 -4.782 497 HD21 LEU 65 1HD2 LEU 65 11.884 -15.316 -4.095 498 HD22 LEU 65 2HD2 LEU 65 10.704 -14.148 -3.458 499 HD23 LEU 65 3HD2 LEU 65 11.670 -15.141 -2.349 500 HA PRO 66 HA PRO 66 10.049 -13.060 1.869 501 HB2 PRO 66 2HB PRO 66 12.211 -13.553 3.495 502 HB3 PRO 66 3HB PRO 66 10.615 -14.333 3.727 503 HG2 PRO 66 2HG PRO 66 13.019 -15.454 2.261 504 HG3 PRO 66 3HG PRO 66 12.035 -16.243 3.540 505 HD2 PRO 66 2HD PRO 66 11.571 -16.720 0.913 506 HD3 PRO 66 3HD PRO 66 10.206 -16.552 2.064 507 H SER 67 H SER 67 11.783 -11.289 2.309 508 HA SER 67 HA SER 67 14.054 -11.275 0.487 509 HB2 SER 67 2HB SER 67 11.671 -9.393 0.197 510 HB3 SER 67 3HB SER 67 13.279 -9.045 -0.469 511 HG SER 67 HG SER 67 12.143 -11.539 -1.054 512 H GLU 68 H GLU 68 15.452 -9.409 0.995 513 HA GLU 68 HA GLU 68 15.017 -8.101 3.582 514 HB2 GLU 68 2HB GLU 68 17.285 -10.036 2.912 515 HB3 GLU 68 3HB GLU 68 17.358 -8.868 4.243 516 HG2 GLU 68 2HG GLU 68 15.390 -9.876 5.303 517 HG3 GLU 68 3HG GLU 68 15.226 -11.031 3.974 518 H SER 69 H SER 69 17.511 -6.816 3.762 519 HA SER 69 HA SER 69 18.264 -5.796 1.176 520 HB2 SER 69 2HB SER 69 16.169 -4.481 1.735 521 HB3 SER 69 3HB SER 69 16.973 -3.940 3.225 522 HG SER 69 HG SER 69 18.711 -3.254 1.742 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -21.719 28.068 -34.887 2 H2 MET 1 H2 MET 1 -22.534 29.501 -35.012 3 H3 MET 1 H3 MET 1 -21.014 29.436 -34.347 4 HA MET 1 HA MET 1 -22.536 29.665 -32.582 5 HB2 MET 1 2HB MET 1 -24.262 27.960 -32.174 6 HB3 MET 1 3HB MET 1 -24.554 28.847 -33.666 7 HG2 MET 1 2HG MET 1 -23.239 26.100 -33.560 8 HG3 MET 1 3HG MET 1 -24.967 26.366 -33.771 9 HE1 MET 1 1HE MET 1 -23.884 25.105 -37.301 10 HE2 MET 1 2HE MET 1 -23.207 24.595 -35.737 11 HE3 MET 1 3HE MET 1 -24.960 24.853 -35.909 12 H LYS 2 H LYS 2 -22.584 27.972 -30.577 13 HA LYS 2 HA LYS 2 -20.818 25.750 -30.880 14 HB2 LYS 2 2HB LYS 2 -19.183 26.339 -29.210 15 HB3 LYS 2 3HB LYS 2 -19.068 27.464 -30.548 16 HG2 LYS 2 2HG LYS 2 -20.568 28.103 -27.961 17 HG3 LYS 2 3HG LYS 2 -18.850 28.376 -28.168 18 HD2 LYS 2 2HD LYS 2 -19.230 30.365 -29.078 19 HD3 LYS 2 3HD LYS 2 -20.037 29.598 -30.434 20 HE2 LYS 2 2HE LYS 2 -21.518 31.249 -29.475 21 HE3 LYS 2 3HE LYS 2 -22.192 29.639 -29.156 22 HZ1 LYS 2 1HZ LYS 2 -21.341 29.777 -26.926 23 HZ2 LYS 2 2HZ LYS 2 -20.641 31.240 -27.217 24 HZ3 LYS 2 3HZ LYS 2 -22.278 31.091 -27.229 25 H GLN 3 H GLN 3 -20.818 24.470 -28.792 26 HA GLN 3 HA GLN 3 -22.628 25.291 -26.692 27 HB2 GLN 3 2HB GLN 3 -23.449 23.341 -28.773 28 HB3 GLN 3 3HB GLN 3 -23.442 22.637 -27.155 29 HG2 GLN 3 2HG GLN 3 -24.795 24.579 -26.329 30 HG3 GLN 3 3HG GLN 3 -24.943 25.145 -28.000 31 HE21 GLN 3 1HE2 GLN 3 -25.520 22.893 -29.504 32 HE22 GLN 3 2HE2 GLN 3 -26.948 22.116 -28.833 33 H ASP 4 H ASP 4 -22.389 23.693 -24.839 34 HA ASP 4 HA ASP 4 -20.331 21.706 -24.958 35 HB2 ASP 4 2HB ASP 4 -19.103 23.994 -24.720 36 HB3 ASP 4 3HB ASP 4 -19.830 24.081 -23.113 37 H GLY 5 H GLY 5 -20.195 20.771 -22.509 38 HA2 GLY 5 2HA GLY 5 -21.973 21.620 -20.539 39 HA3 GLY 5 3HA GLY 5 -22.865 20.433 -21.513 40 H GLU 6 H GLU 6 -22.163 20.034 -18.746 41 HA GLU 6 HA GLU 6 -20.258 17.774 -18.936 42 HB2 GLU 6 2HB GLU 6 -20.413 19.730 -16.606 43 HB3 GLU 6 3HB GLU 6 -19.254 18.435 -16.873 44 HG2 GLU 6 2HG GLU 6 -17.921 20.127 -17.538 45 HG3 GLU 6 3HG GLU 6 -18.711 19.899 -19.090 46 H GLU 7 H GLU 7 -20.412 16.502 -16.765 47 HA GLU 7 HA GLU 7 -23.009 16.551 -15.458 48 HB2 GLU 7 2HB GLU 7 -23.487 15.291 -17.502 49 HB3 GLU 7 3HB GLU 7 -22.182 14.160 -17.149 50 HG2 GLU 7 2HG GLU 7 -23.378 13.405 -15.111 51 HG3 GLU 7 3HG GLU 7 -24.598 14.661 -15.339 52 H GLY 8 H GLY 8 -21.343 13.579 -15.437 53 HA2 GLY 8 2HA GLY 8 -19.398 12.939 -14.109 54 HA3 GLY 8 3HA GLY 8 -19.669 14.357 -13.079 55 H THR 9 H THR 9 -19.419 11.751 -11.959 56 HA THR 9 HA THR 9 -21.917 11.604 -10.540 57 HB THR 9 HB THR 9 -22.596 10.179 -12.297 58 HG1 THR 9 1HG THR 9 -21.626 8.324 -10.409 59 HG21 THR 9 1HG2 THR 9 -20.469 9.712 -13.360 60 HG22 THR 9 2HG2 THR 9 -19.945 8.741 -11.963 61 HG23 THR 9 3HG2 THR 9 -21.299 8.191 -12.987 62 H GLU 10 H GLU 10 -21.617 9.934 -8.722 63 HA GLU 10 HA GLU 10 -18.902 9.926 -7.614 64 HB2 GLU 10 2HB GLU 10 -21.591 8.754 -6.856 65 HB3 GLU 10 3HB GLU 10 -20.112 8.058 -6.169 66 HG2 GLU 10 2HG GLU 10 -19.419 10.216 -5.283 67 HG3 GLU 10 3HG GLU 10 -20.790 11.023 -6.055 68 H GLU 11 H GLU 11 -17.485 8.193 -7.707 69 HA GLU 11 HA GLU 11 -18.052 5.638 -8.810 70 HB2 GLU 11 2HB GLU 11 -17.205 7.756 -10.654 71 HB3 GLU 11 3HB GLU 11 -15.894 6.597 -10.474 72 HG2 GLU 11 2HG GLU 11 -18.759 5.823 -11.164 73 HG3 GLU 11 3HG GLU 11 -17.485 6.117 -12.349 74 H ASP 12 H ASP 12 -16.065 4.310 -8.408 75 HA ASP 12 HA ASP 12 -14.737 5.240 -6.020 76 HB2 ASP 12 2HB ASP 12 -15.359 2.847 -6.522 77 HB3 ASP 12 3HB ASP 12 -14.002 2.786 -7.653 78 H THR 13 H THR 13 -13.562 6.912 -6.345 79 HA THR 13 HA THR 13 -11.096 6.694 -8.027 80 HB THR 13 HB THR 13 -12.665 9.275 -7.707 81 HG1 THR 13 1HG THR 13 -13.953 7.684 -8.715 82 HG21 THR 13 1HG2 THR 13 -10.573 8.300 -9.709 83 HG22 THR 13 2HG2 THR 13 -11.514 9.794 -9.909 84 HG23 THR 13 3HG2 THR 13 -10.399 9.632 -8.546 85 H GLU 14 H GLU 14 -11.699 6.241 -5.084 86 HA GLU 14 HA GLU 14 -10.105 8.473 -3.935 87 HB2 GLU 14 2HB GLU 14 -11.826 6.344 -2.593 88 HB3 GLU 14 3HB GLU 14 -10.919 7.631 -1.794 89 HG2 GLU 14 2HG GLU 14 -12.793 8.817 -1.867 90 HG3 GLU 14 3HG GLU 14 -12.348 9.152 -3.536 91 H GLU 15 H GLU 15 -9.894 5.930 -1.885 92 HA GLU 15 HA GLU 15 -8.277 4.683 -1.096 93 HB2 GLU 15 2HB GLU 15 -7.538 4.047 -3.965 94 HB3 GLU 15 3HB GLU 15 -7.270 3.079 -2.506 95 HG2 GLU 15 2HG GLU 15 -9.907 3.342 -2.216 96 HG3 GLU 15 3HG GLU 15 -9.872 3.670 -3.949 97 H LYS 16 H LYS 16 -6.306 5.123 -0.069 98 HA LYS 16 HA LYS 16 -4.403 6.795 -1.600 99 HB2 LYS 16 2HB LYS 16 -3.984 8.105 0.559 100 HB3 LYS 16 3HB LYS 16 -5.364 8.554 -0.440 101 HG2 LYS 16 2HG LYS 16 -6.924 7.487 0.980 102 HG3 LYS 16 3HG LYS 16 -5.630 6.647 1.850 103 HD2 LYS 16 2HD LYS 16 -6.496 8.463 3.220 104 HD3 LYS 16 3HD LYS 16 -4.825 8.828 2.749 105 HE2 LYS 16 2HE LYS 16 -5.563 10.368 1.032 106 HE3 LYS 16 3HE LYS 16 -7.247 9.843 1.205 107 HZ1 LYS 16 1HZ LYS 16 -7.263 10.782 3.413 108 HZ2 LYS 16 2HZ LYS 16 -5.696 11.273 3.270 109 HZ3 LYS 16 3HZ LYS 16 -6.860 11.932 2.312 110 H CYS 17 H CYS 17 -2.452 6.428 -1.345 111 HA CYS 17 HA CYS 17 -1.139 4.100 -0.237 112 HB2 CYS 17 2HB CYS 17 -0.624 5.803 -2.189 113 HB3 CYS 17 3HB CYS 17 -0.054 6.810 -0.901 114 H THR 18 H THR 18 -0.627 3.844 1.972 115 HA THR 18 HA THR 18 -0.830 6.161 3.739 116 HB THR 18 HB THR 18 -1.462 3.720 4.247 117 HG1 THR 18 1HG THR 18 -1.444 5.399 5.785 118 HG21 THR 18 1HG2 THR 18 0.807 2.799 3.614 119 HG22 THR 18 2HG2 THR 18 1.470 3.637 5.047 120 HG23 THR 18 3HG2 THR 18 0.276 2.357 5.244 121 H ILE 19 H ILE 19 1.693 4.575 1.846 122 HA ILE 19 HA ILE 19 3.836 5.384 3.583 123 HB ILE 19 HB ILE 19 3.567 4.070 0.881 124 HG12 ILE 19 2HG1 ILE 19 4.843 2.941 3.389 125 HG13 ILE 19 3HG1 ILE 19 3.088 2.985 3.262 126 HG21 ILE 19 1HG2 ILE 19 5.650 5.336 0.783 127 HG22 ILE 19 2HG2 ILE 19 6.111 4.774 2.403 128 HG23 ILE 19 3HG2 ILE 19 6.042 3.630 1.042 129 HD11 ILE 19 1HD1 ILE 19 3.966 0.836 2.489 130 HD12 ILE 19 2HD1 ILE 19 3.133 1.710 1.185 131 HD13 ILE 19 3HD1 ILE 19 4.906 1.669 1.231 132 H CYS 20 H CYS 20 2.657 6.447 0.298 133 HA CYS 20 HA CYS 20 4.403 8.897 0.489 134 HB2 CYS 20 2HB CYS 20 3.741 9.291 -1.768 135 HB3 CYS 20 3HB CYS 20 4.440 7.680 -1.605 136 H LEU 21 H LEU 21 1.573 8.022 1.877 137 HA LEU 21 HA LEU 21 -0.428 9.015 2.351 138 HB2 LEU 21 2HB LEU 21 1.598 11.174 2.964 139 HB3 LEU 21 3HB LEU 21 -0.070 11.188 3.552 140 HG LEU 21 HG LEU 21 1.872 8.913 4.091 141 HD11 LEU 21 1HD1 LEU 21 2.103 9.839 6.349 142 HD12 LEU 21 2HD1 LEU 21 2.718 10.952 5.116 143 HD13 LEU 21 3HD1 LEU 21 1.134 11.257 5.873 144 HD21 LEU 21 1HD2 LEU 21 0.266 8.310 5.871 145 HD22 LEU 21 2HD2 LEU 21 -0.772 9.686 5.434 146 HD23 LEU 21 3HD2 LEU 21 -0.561 8.319 4.319 147 H SER 22 H SER 22 -0.578 8.878 -0.190 148 HA SER 22 HA SER 22 -1.840 11.426 -0.996 149 HB2 SER 22 2HB SER 22 0.659 10.314 -2.107 150 HB3 SER 22 3HB SER 22 -0.600 10.524 -3.340 151 HG SER 22 HG SER 22 0.318 12.456 -1.471 152 H ILE 23 H ILE 23 -3.434 11.110 -2.702 153 HA ILE 23 HA ILE 23 -4.895 8.644 -2.492 154 HB ILE 23 HB ILE 23 -5.001 11.183 -4.167 155 HG12 ILE 23 2HG1 ILE 23 -5.625 11.176 -1.664 156 HG13 ILE 23 3HG1 ILE 23 -6.756 11.897 -2.802 157 HG21 ILE 23 1HG2 ILE 23 -5.954 9.639 -5.636 158 HG22 ILE 23 2HG2 ILE 23 -6.870 8.810 -4.366 159 HG23 ILE 23 3HG2 ILE 23 -7.305 10.464 -4.878 160 HD11 ILE 23 1HD1 ILE 23 -7.805 10.433 -1.027 161 HD12 ILE 23 2HD1 ILE 23 -8.249 10.022 -2.689 162 HD13 ILE 23 3HD1 ILE 23 -7.060 9.030 -1.824 163 H LEU 24 H LEU 24 -5.264 7.246 -4.336 164 HA LEU 24 HA LEU 24 -2.942 6.796 -6.089 165 HB2 LEU 24 2HB LEU 24 -5.315 5.071 -5.194 166 HB3 LEU 24 3HB LEU 24 -3.914 4.482 -6.104 167 HG LEU 24 HG LEU 24 -3.706 5.677 -3.302 168 HD11 LEU 24 1HD1 LEU 24 -3.614 2.791 -4.159 169 HD12 LEU 24 2HD1 LEU 24 -3.405 3.448 -2.506 170 HD13 LEU 24 3HD1 LEU 24 -4.979 3.585 -3.330 171 HD21 LEU 24 1HD2 LEU 24 -1.484 4.386 -3.542 172 HD22 LEU 24 2HD2 LEU 24 -1.821 4.400 -5.280 173 HD23 LEU 24 3HD2 LEU 24 -1.680 5.950 -4.402 174 H GLU 25 H GLU 25 -4.852 5.075 -7.722 175 HA GLU 25 HA GLU 25 -7.035 6.648 -8.530 176 HB2 GLU 25 2HB GLU 25 -6.446 6.990 -10.872 177 HB3 GLU 25 3HB GLU 25 -5.303 7.832 -9.820 178 HG2 GLU 25 2HG GLU 25 -3.722 5.891 -10.090 179 HG3 GLU 25 3HG GLU 25 -4.822 5.232 -11.317 180 H GLU 26 H GLU 26 -8.148 5.340 -10.448 181 HA GLU 26 HA GLU 26 -7.900 2.478 -9.780 182 HB2 GLU 26 2HB GLU 26 -10.143 3.416 -9.851 183 HB3 GLU 26 3HB GLU 26 -9.862 4.109 -11.446 184 HG2 GLU 26 2HG GLU 26 -11.272 2.108 -11.561 185 HG3 GLU 26 3HG GLU 26 -9.781 1.902 -12.471 186 H GLY 27 H GLY 27 -6.909 1.080 -11.151 187 HA2 GLY 27 2HA GLY 27 -5.973 0.240 -13.107 188 HA3 GLY 27 3HA GLY 27 -6.347 1.758 -13.934 189 H GLU 28 H GLU 28 -4.385 1.343 -10.945 190 HA GLU 28 HA GLU 28 -1.975 2.233 -12.455 191 HB2 GLU 28 2HB GLU 28 -3.347 3.613 -10.433 192 HB3 GLU 28 3HB GLU 28 -2.020 2.888 -9.573 193 HG2 GLU 28 2HG GLU 28 -1.736 4.562 -12.117 194 HG3 GLU 28 3HG GLU 28 -1.582 5.205 -10.476 195 H ASP 29 H ASP 29 0.084 1.615 -11.028 196 HA ASP 29 HA ASP 29 -0.187 -1.293 -10.624 197 HB2 ASP 29 2HB ASP 29 2.160 0.603 -10.719 198 HB3 ASP 29 3HB ASP 29 2.314 -1.085 -10.243 199 H VAL 30 H VAL 30 -1.003 -1.798 -8.716 200 HA VAL 30 HA VAL 30 0.119 -0.606 -6.249 201 HB VAL 30 HB VAL 30 -2.059 -0.286 -5.299 202 HG11 VAL 30 1HG1 VAL 30 -2.842 1.637 -6.519 203 HG12 VAL 30 2HG1 VAL 30 -1.083 1.590 -6.707 204 HG13 VAL 30 3HG1 VAL 30 -2.129 1.050 -8.026 205 HG21 VAL 30 1HG2 VAL 30 -4.144 -0.450 -6.649 206 HG22 VAL 30 2HG2 VAL 30 -3.223 -1.166 -7.980 207 HG23 VAL 30 3HG2 VAL 30 -3.378 -2.030 -6.430 208 H ARG 31 H ARG 31 -0.278 -2.026 -4.335 209 HA ARG 31 HA ARG 31 -0.727 -4.850 -5.142 210 HB2 ARG 31 2HB ARG 31 1.404 -3.556 -3.464 211 HB3 ARG 31 3HB ARG 31 0.782 -5.068 -2.871 212 HG2 ARG 31 2HG ARG 31 1.593 -5.205 -5.723 213 HG3 ARG 31 3HG ARG 31 2.889 -4.726 -4.610 214 HD2 ARG 31 2HD ARG 31 2.103 -6.740 -3.157 215 HD3 ARG 31 3HD ARG 31 1.309 -7.303 -4.640 216 HE ARG 31 HE ARG 31 3.989 -6.674 -5.289 217 HH11 ARG 31 1HH1 ARG 31 5.742 -9.493 -4.087 218 HH12 ARG 31 2HH1 ARG 31 5.848 -8.169 -5.082 219 HH21 ARG 31 1HH2 ARG 31 3.608 -10.083 -3.132 220 HH22 ARG 31 2HH2 ARG 31 2.258 -8.998 -3.272 221 H ARG 32 H ARG 32 -1.929 -6.031 -3.604 222 HA ARG 32 HA ARG 32 -3.329 -4.408 -1.517 223 HB2 ARG 32 2HB ARG 32 -4.567 -5.536 -3.575 224 HB3 ARG 32 3HB ARG 32 -4.281 -7.046 -2.715 225 HG2 ARG 32 2HG ARG 32 -5.901 -4.628 -1.833 226 HG3 ARG 32 3HG ARG 32 -6.461 -6.270 -2.165 227 HD2 ARG 32 2HD ARG 32 -4.840 -6.911 -0.144 228 HD3 ARG 32 3HD ARG 32 -4.963 -5.202 0.238 229 HE ARG 32 HE ARG 32 -7.182 -5.410 0.757 230 HH11 ARG 32 1HH1 ARG 32 -9.155 -8.374 0.918 231 HH12 ARG 32 2HH1 ARG 32 -9.087 -6.690 1.300 232 HH21 ARG 32 1HH2 ARG 32 -7.343 -9.395 -0.225 233 HH22 ARG 32 2HH2 ARG 32 -5.961 -8.437 -0.613 234 H LEU 33 H LEU 33 -2.321 -4.719 0.289 235 HA LEU 33 HA LEU 33 -0.753 -7.148 0.826 236 HB2 LEU 33 2HB LEU 33 -0.124 -5.760 2.890 237 HB3 LEU 33 3HB LEU 33 0.409 -5.137 1.345 238 HG LEU 33 HG LEU 33 -2.269 -4.200 2.216 239 HD11 LEU 33 1HD1 LEU 33 -1.323 -2.585 3.848 240 HD12 LEU 33 2HD1 LEU 33 -1.075 -4.259 4.383 241 HD13 LEU 33 3HD1 LEU 33 0.272 -3.347 3.685 242 HD21 LEU 33 1HD2 LEU 33 0.253 -2.736 1.303 243 HD22 LEU 33 2HD2 LEU 33 -1.018 -3.263 0.205 244 HD23 LEU 33 3HD2 LEU 33 -1.373 -2.030 1.424 245 HA PRO 34 HA PRO 34 -3.841 -9.132 2.913 246 HB2 PRO 34 2HB PRO 34 -2.728 -10.378 5.097 247 HB3 PRO 34 3HB PRO 34 -2.359 -10.802 3.397 248 HG2 PRO 34 2HG PRO 34 -0.756 -9.067 5.279 249 HG3 PRO 34 3HG PRO 34 -0.173 -10.320 4.133 250 HD2 PRO 34 2HD PRO 34 -0.166 -7.621 3.663 251 HD3 PRO 34 3HD PRO 34 -0.236 -8.800 2.352 252 H CYS 35 H CYS 35 -2.423 -6.570 4.750 253 HA CYS 35 HA CYS 35 -4.254 -6.515 7.051 254 HB2 CYS 35 2HB CYS 35 -1.887 -5.502 6.710 255 HB3 CYS 35 3HB CYS 35 -2.752 -4.240 5.796 256 H MET 36 H MET 36 -5.090 -6.349 3.846 257 HA MET 36 HA MET 36 -7.001 -5.847 2.897 258 HB2 MET 36 2HB MET 36 -7.896 -4.154 5.266 259 HB3 MET 36 3HB MET 36 -8.863 -4.745 3.918 260 HG2 MET 36 2HG MET 36 -8.249 -7.101 4.596 261 HG3 MET 36 3HG MET 36 -7.540 -6.440 6.068 262 HE1 MET 36 1HE MET 36 -8.792 -6.768 8.170 263 HE2 MET 36 2HE MET 36 -8.982 -5.021 7.883 264 HE3 MET 36 3HE MET 36 -10.367 -5.992 8.437 265 H HIS 37 H HIS 37 -5.403 -3.195 4.503 266 HA HIS 37 HA HIS 37 -5.897 -1.014 2.859 267 HB2 HIS 37 1HB HIS 37 -3.392 -1.896 4.381 268 HB3 HIS 37 2HB HIS 37 -3.663 -0.260 3.767 269 HD2 HIS 37 2HD HIS 37 -6.575 0.321 4.563 270 HE1 HIS 37 1HE HIS 37 -5.597 -0.622 8.586 271 HE2 HIS 37 2HE HIS 37 -7.286 0.533 7.064 272 H LEU 38 H LEU 38 -4.337 0.041 1.176 273 HA LEU 38 HA LEU 38 -3.023 -1.966 -0.528 274 HB2 LEU 38 2HB LEU 38 -4.648 -2.104 -2.051 275 HB3 LEU 38 3HB LEU 38 -5.713 -1.382 -0.868 276 HG LEU 38 HG LEU 38 -5.026 0.924 -1.899 277 HD11 LEU 38 1HD1 LEU 38 -4.525 0.700 -4.350 278 HD12 LEU 38 2HD1 LEU 38 -3.162 0.161 -3.371 279 HD13 LEU 38 3HD1 LEU 38 -4.245 -1.032 -4.123 280 HD21 LEU 38 1HD2 LEU 38 -6.689 -1.125 -3.395 281 HD22 LEU 38 2HD2 LEU 38 -7.224 -0.055 -2.079 282 HD23 LEU 38 3HD2 LEU 38 -6.726 0.631 -3.627 283 H PHE 39 H PHE 39 -1.351 -1.027 -1.728 284 HA PHE 39 HA PHE 39 -0.951 1.912 -1.465 285 HB2 PHE 39 2HB PHE 39 0.959 -0.276 -0.596 286 HB3 PHE 39 3HB PHE 39 1.329 1.440 -0.571 287 HD1 PHE 39 1HD PHE 39 1.457 -0.743 1.700 288 HD2 PHE 39 2HD PHE 39 -1.455 2.267 0.737 289 HE1 PHE 39 1HE PHE 39 0.528 -0.899 3.978 290 HE2 PHE 39 2HE PHE 39 -2.404 2.086 2.988 291 HZ PHE 39 HZ PHE 39 -1.412 0.489 4.636 292 H HIS 40 H HIS 40 0.887 2.635 -2.960 293 HA HIS 40 HA HIS 40 0.695 1.432 -5.550 294 HB2 HIS 40 1HB HIS 40 2.897 3.160 -4.381 295 HB3 HIS 40 2HB HIS 40 2.814 2.696 -6.068 296 HD2 HIS 40 2HD HIS 40 0.600 3.604 -7.508 297 HE1 HIS 40 1HE HIS 40 0.562 7.242 -5.291 298 HE2 HIS 40 2HE HIS 40 -0.225 6.065 -7.441 299 H GLN 41 H GLN 41 2.152 0.134 -6.742 300 HA GLN 41 HA GLN 41 3.669 -1.880 -5.363 301 HB2 GLN 41 2HB GLN 41 2.817 -1.218 -8.123 302 HB3 GLN 41 3HB GLN 41 4.390 -1.997 -8.065 303 HG2 GLN 41 2HG GLN 41 3.516 -3.784 -6.679 304 HG3 GLN 41 3HG GLN 41 1.905 -3.036 -6.691 305 HE21 GLN 41 1HE2 GLN 41 0.479 -3.906 -8.302 306 HE22 GLN 41 2HE2 GLN 41 1.101 -4.594 -9.793 307 H VAL 42 H VAL 42 4.584 1.200 -5.466 308 HA VAL 42 HA VAL 42 7.445 0.529 -5.976 309 HB VAL 42 HB VAL 42 5.962 3.134 -6.527 310 HG11 VAL 42 1HG1 VAL 42 8.162 3.942 -7.395 311 HG12 VAL 42 2HG1 VAL 42 8.187 3.674 -5.648 312 HG13 VAL 42 3HG1 VAL 42 8.936 2.484 -6.735 313 HG21 VAL 42 1HG2 VAL 42 6.709 2.701 -8.866 314 HG22 VAL 42 2HG2 VAL 42 7.403 1.150 -8.346 315 HG23 VAL 42 3HG2 VAL 42 5.649 1.417 -8.274 316 H CYS 43 H CYS 43 5.339 2.941 -4.295 317 HA CYS 43 HA CYS 43 6.868 3.541 -2.012 318 HB2 CYS 43 2HB CYS 43 3.892 2.920 -2.072 319 HB3 CYS 43 3HB CYS 43 4.771 3.990 -0.983 320 H VAL 44 H VAL 44 4.612 0.756 -2.483 321 HA VAL 44 HA VAL 44 5.353 -0.275 0.087 322 HB VAL 44 HB VAL 44 3.070 -0.260 -1.086 323 HG11 VAL 44 1HG1 VAL 44 2.457 -2.101 -2.352 324 HG12 VAL 44 2HG1 VAL 44 4.046 -1.706 -3.044 325 HG13 VAL 44 3HG1 VAL 44 3.908 -3.048 -1.905 326 HG21 VAL 44 1HG2 VAL 44 4.142 -2.688 0.389 327 HG22 VAL 44 2HG2 VAL 44 3.579 -1.188 1.135 328 HG23 VAL 44 3HG2 VAL 44 2.430 -2.244 0.255 329 H ASP 45 H ASP 45 6.570 -0.742 -3.067 330 HA ASP 45 HA ASP 45 7.617 -3.442 -2.780 331 HB2 ASP 45 2HB ASP 45 7.688 -2.644 -4.976 332 HB3 ASP 45 3HB ASP 45 8.303 -1.056 -4.504 333 H GLN 46 H GLN 46 9.295 -0.261 -2.548 334 HA GLN 46 HA GLN 46 11.425 -1.330 -1.023 335 HB2 GLN 46 2HB GLN 46 10.340 1.481 -1.403 336 HB3 GLN 46 3HB GLN 46 11.700 1.189 -0.312 337 HG2 GLN 46 2HG GLN 46 11.699 0.256 -3.216 338 HG3 GLN 46 3HG GLN 46 12.320 1.828 -2.703 339 HE21 GLN 46 1HE2 GLN 46 14.058 1.777 -0.890 340 HE22 GLN 46 2HE2 GLN 46 15.174 0.420 -0.991 341 H ALA 47 H ALA 47 8.243 -0.260 0.118 342 HA ALA 47 HA ALA 47 8.957 -0.233 2.885 343 HB1 ALA 47 1HB ALA 47 6.811 0.556 1.882 344 HB2 ALA 47 2HB ALA 47 6.340 -1.156 1.668 345 HB3 ALA 47 3HB ALA 47 6.595 -0.503 3.298 346 H LEU 48 H LEU 48 7.717 -2.917 0.832 347 HA LEU 48 HA LEU 48 7.527 -4.849 2.891 348 HB2 LEU 48 2HB LEU 48 6.299 -4.878 0.776 349 HB3 LEU 48 3HB LEU 48 7.776 -5.106 -0.147 350 HG LEU 48 HG LEU 48 6.865 -7.111 1.961 351 HD11 LEU 48 1HD1 LEU 48 5.024 -6.759 0.349 352 HD12 LEU 48 2HD1 LEU 48 6.146 -7.070 -0.996 353 HD13 LEU 48 3HD1 LEU 48 5.752 -8.359 0.165 354 HD21 LEU 48 1HD2 LEU 48 9.096 -7.646 1.278 355 HD22 LEU 48 2HD2 LEU 48 8.077 -8.676 0.276 356 HD23 LEU 48 3HD2 LEU 48 8.771 -7.201 -0.414 357 H ILE 49 H ILE 49 10.075 -4.247 0.403 358 HA ILE 49 HA ILE 49 11.792 -6.301 1.403 359 HB ILE 49 HB ILE 49 13.496 -5.406 0.033 360 HG12 ILE 49 2HG1 ILE 49 12.841 -3.166 -1.256 361 HG13 ILE 49 3HG1 ILE 49 12.100 -2.829 0.318 362 HG21 ILE 49 1HG2 ILE 49 12.442 -5.384 -2.118 363 HG22 ILE 49 2HG2 ILE 49 11.541 -6.499 -1.075 364 HG23 ILE 49 3HG2 ILE 49 10.894 -4.885 -1.442 365 HD11 ILE 49 1HD1 ILE 49 14.259 -3.121 1.441 366 HD12 ILE 49 2HD1 ILE 49 15.004 -3.649 -0.081 367 HD13 ILE 49 3HD1 ILE 49 14.441 -1.977 0.106 368 H THR 50 H THR 50 11.284 -2.922 2.427 369 HA THR 50 HA THR 50 13.642 -2.764 4.013 370 HB THR 50 HB THR 50 11.042 -1.243 3.881 371 HG1 THR 50 1HG THR 50 12.577 -0.671 2.475 372 HG21 THR 50 1HG2 THR 50 11.951 0.362 5.557 373 HG22 THR 50 2HG2 THR 50 11.350 -1.149 6.237 374 HG23 THR 50 3HG2 THR 50 13.116 -0.885 6.061 375 H ASN 51 H ASN 51 10.229 -3.519 4.946 376 HA ASN 51 HA ASN 51 11.084 -5.532 6.836 377 HB2 ASN 51 2HB ASN 51 9.881 -2.892 7.792 378 HB3 ASN 51 3HB ASN 51 9.619 -4.414 8.649 379 HD21 ASN 51 1HD2 ASN 51 12.079 -1.938 7.942 380 HD22 ASN 51 2HD2 ASN 51 13.213 -2.608 9.093 381 H LYS 52 H LYS 52 9.484 -7.104 6.428 382 HA LYS 52 HA LYS 52 7.069 -6.359 5.011 383 HB2 LYS 52 2HB LYS 52 7.739 -8.956 6.468 384 HB3 LYS 52 3HB LYS 52 6.376 -8.667 5.400 385 HG2 LYS 52 2HG LYS 52 7.703 -9.576 3.834 386 HG3 LYS 52 3HG LYS 52 8.318 -7.939 3.679 387 HD2 LYS 52 2HD LYS 52 10.292 -8.476 4.974 388 HD3 LYS 52 3HD LYS 52 9.546 -9.979 5.576 389 HE2 LYS 52 2HE LYS 52 9.421 -10.758 3.168 390 HE3 LYS 52 3HE LYS 52 10.487 -9.398 2.739 391 HZ1 LYS 52 1HZ LYS 52 11.637 -11.511 3.172 392 HZ2 LYS 52 2HZ LYS 52 12.119 -10.362 4.274 393 HZ3 LYS 52 3HZ LYS 52 11.033 -11.549 4.675 394 H LYS 53 H LYS 53 5.892 -4.843 6.165 395 HA LYS 53 HA LYS 53 3.993 -6.017 7.957 396 HB2 LYS 53 2HB LYS 53 4.325 -4.233 9.762 397 HB3 LYS 53 3HB LYS 53 5.444 -5.592 9.775 398 HG2 LYS 53 2HG LYS 53 7.188 -4.247 8.704 399 HG3 LYS 53 3HG LYS 53 6.080 -2.870 8.541 400 HD2 LYS 53 2HD LYS 53 5.915 -2.721 11.014 401 HD3 LYS 53 3HD LYS 53 6.930 -4.166 11.166 402 HE2 LYS 53 2HE LYS 53 8.444 -2.396 11.510 403 HE3 LYS 53 3HE LYS 53 8.721 -2.912 9.844 404 HZ1 LYS 53 1HZ LYS 53 7.148 -0.570 10.702 405 HZ2 LYS 53 2HZ LYS 53 8.616 -0.544 9.966 406 HZ3 LYS 53 3HZ LYS 53 7.293 -1.069 9.138 407 H CYS 54 H CYS 54 2.115 -4.663 8.036 408 HA CYS 54 HA CYS 54 1.765 -2.557 5.982 409 HB2 CYS 54 2HB CYS 54 -0.043 -4.072 6.746 410 HB3 CYS 54 3HB CYS 54 0.103 -3.416 8.378 411 HA PRO 55 HA PRO 55 3.633 0.279 9.057 412 HB2 PRO 55 2HB PRO 55 4.198 2.381 7.441 413 HB3 PRO 55 3HB PRO 55 5.092 0.838 7.314 414 HG2 PRO 55 2HG PRO 55 2.744 1.749 5.629 415 HG3 PRO 55 3HG PRO 55 4.317 1.093 5.072 416 HD2 PRO 55 2HD PRO 55 2.065 -0.442 5.372 417 HD3 PRO 55 3HD PRO 55 3.710 -1.087 5.631 418 H ILE 56 H ILE 56 1.304 -0.044 9.645 419 HA ILE 56 HA ILE 56 0.021 2.453 10.264 420 HB ILE 56 HB ILE 56 -1.560 0.287 8.781 421 HG12 ILE 56 2HG1 ILE 56 -1.050 3.159 7.966 422 HG13 ILE 56 3HG1 ILE 56 -0.437 1.686 7.191 423 HG21 ILE 56 1HG2 ILE 56 -2.607 2.870 10.004 424 HG22 ILE 56 2HG2 ILE 56 -3.565 1.578 9.241 425 HG23 ILE 56 3HG2 ILE 56 -2.767 1.277 10.767 426 HD11 ILE 56 1HD1 ILE 56 -2.795 0.975 6.732 427 HD12 ILE 56 2HD1 ILE 56 -3.340 2.578 7.294 428 HD13 ILE 56 3HD1 ILE 56 -2.297 2.443 5.882 429 H CYS 57 H CYS 57 -0.420 -1.050 9.946 430 HA CYS 57 HA CYS 57 -1.735 -1.314 12.550 431 HB2 CYS 57 2HB CYS 57 -1.190 -3.372 10.379 432 HB3 CYS 57 3HB CYS 57 -2.445 -3.364 11.629 433 H ARG 58 H ARG 58 1.034 -2.810 10.896 434 HA ARG 58 HA ARG 58 3.051 -3.553 11.866 435 HB2 ARG 58 2HB ARG 58 1.439 -4.263 14.360 436 HB3 ARG 58 3HB ARG 58 3.010 -4.922 14.000 437 HG2 ARG 58 2HG ARG 58 4.074 -2.772 13.923 438 HG3 ARG 58 3HG ARG 58 2.534 -1.928 14.188 439 HD2 ARG 58 2HD ARG 58 2.300 -2.940 16.388 440 HD3 ARG 58 3HD ARG 58 3.719 -3.976 16.112 441 HE ARG 58 HE ARG 58 4.519 -1.298 15.774 442 HH11 ARG 58 1HH1 ARG 58 5.619 -0.740 19.077 443 HH12 ARG 58 2HH1 ARG 58 5.721 -0.207 17.442 444 HH21 ARG 58 1HH2 ARG 58 4.260 -2.613 19.626 445 HH22 ARG 58 2HH2 ARG 58 3.391 -3.406 18.360 446 H VAL 59 H VAL 59 -0.032 -5.028 11.377 447 HA VAL 59 HA VAL 59 0.557 -7.736 11.532 448 HB VAL 59 HB VAL 59 -1.064 -6.429 9.324 449 HG11 VAL 59 1HG1 VAL 59 -0.707 -8.831 8.941 450 HG12 VAL 59 2HG1 VAL 59 -1.267 -9.195 10.589 451 HG13 VAL 59 3HG1 VAL 59 -2.383 -8.524 9.380 452 HG21 VAL 59 1HG2 VAL 59 -3.033 -6.779 10.838 453 HG22 VAL 59 2HG2 VAL 59 -1.922 -7.259 12.138 454 HG23 VAL 59 3HG2 VAL 59 -1.908 -5.602 11.498 455 H ASP 60 H ASP 60 1.589 -9.204 10.262 456 HA ASP 60 HA ASP 60 3.757 -8.233 8.597 457 HB2 ASP 60 2HB ASP 60 3.960 -10.200 10.093 458 HB3 ASP 60 3HB ASP 60 2.759 -11.059 9.119 459 H ILE 61 H ILE 61 3.998 -8.613 6.390 460 HA ILE 61 HA ILE 61 1.531 -9.243 4.863 461 HB ILE 61 HB ILE 61 2.206 -7.655 3.217 462 HG12 ILE 61 2HG1 ILE 61 4.613 -7.054 4.997 463 HG13 ILE 61 3HG1 ILE 61 4.675 -7.922 3.450 464 HG21 ILE 61 1HG2 ILE 61 1.704 -5.643 4.421 465 HG22 ILE 61 2HG2 ILE 61 0.939 -6.949 5.343 466 HG23 ILE 61 3HG2 ILE 61 2.470 -6.265 5.903 467 HD11 ILE 61 1HD1 ILE 61 5.250 -5.693 2.996 468 HD12 ILE 61 2HD1 ILE 61 3.599 -5.984 2.365 469 HD13 ILE 61 3HD1 ILE 61 3.838 -5.065 3.883 470 H GLU 62 H GLU 62 4.797 -10.127 5.449 471 HA GLU 62 HA GLU 62 5.571 -11.211 3.000 472 HB2 GLU 62 2HB GLU 62 6.886 -11.175 5.217 473 HB3 GLU 62 3HB GLU 62 5.962 -12.608 5.684 474 HG2 GLU 62 2HG GLU 62 6.774 -13.786 3.639 475 HG3 GLU 62 3HG GLU 62 7.654 -12.334 3.157 476 H ALA 63 H ALA 63 5.088 -13.158 1.917 477 HA ALA 63 HA ALA 63 3.153 -14.996 3.086 478 HB1 ALA 63 1HB ALA 63 1.631 -14.852 1.137 479 HB2 ALA 63 2HB ALA 63 1.713 -13.297 1.986 480 HB3 ALA 63 3HB ALA 63 2.604 -13.520 0.465 481 H GLN 64 H GLN 64 2.892 -16.852 1.348 482 HA GLN 64 HA GLN 64 5.554 -17.807 0.964 483 HB2 GLN 64 2HB GLN 64 3.492 -19.172 1.486 484 HB3 GLN 64 3HB GLN 64 2.960 -18.928 -0.185 485 HG2 GLN 64 2HG GLN 64 5.093 -20.005 -0.971 486 HG3 GLN 64 3HG GLN 64 5.566 -20.238 0.720 487 HE21 GLN 64 1HE2 GLN 64 5.490 -22.524 0.905 488 HE22 GLN 64 2HE2 GLN 64 4.016 -23.416 0.546 489 H LEU 65 H LEU 65 6.665 -16.366 -0.427 490 HA LEU 65 HA LEU 65 5.870 -16.526 -3.284 491 HB2 LEU 65 2HB LEU 65 5.244 -14.378 -1.838 492 HB3 LEU 65 3HB LEU 65 6.939 -13.980 -2.072 493 HG LEU 65 HG LEU 65 6.497 -14.381 -4.605 494 HD11 LEU 65 1HD1 LEU 65 4.272 -15.539 -4.317 495 HD12 LEU 65 2HD1 LEU 65 3.617 -14.050 -3.618 496 HD13 LEU 65 3HD1 LEU 65 4.148 -14.084 -5.314 497 HD21 LEU 65 1HD2 LEU 65 6.811 -12.180 -3.628 498 HD22 LEU 65 2HD2 LEU 65 5.498 -12.092 -4.817 499 HD23 LEU 65 3HD2 LEU 65 5.128 -12.122 -3.072 500 HA PRO 66 HA PRO 66 10.201 -17.755 -2.727 501 HB2 PRO 66 2HB PRO 66 10.448 -19.422 -4.889 502 HB3 PRO 66 3HB PRO 66 9.592 -19.887 -3.385 503 HG2 PRO 66 2HG PRO 66 8.390 -18.845 -5.965 504 HG3 PRO 66 3HG PRO 66 7.865 -20.249 -4.985 505 HD2 PRO 66 2HD PRO 66 6.678 -17.794 -4.792 506 HD3 PRO 66 3HD PRO 66 6.864 -18.860 -3.363 507 H SER 67 H SER 67 8.748 -16.542 -5.770 508 HA SER 67 HA SER 67 11.133 -14.897 -6.263 509 HB2 SER 67 2HB SER 67 9.788 -16.651 -8.374 510 HB3 SER 67 3HB SER 67 11.124 -15.516 -8.641 511 HG SER 67 HG SER 67 11.938 -17.595 -8.431 512 H GLU 68 H GLU 68 10.493 -12.940 -7.527 513 HA GLU 68 HA GLU 68 7.789 -12.839 -8.497 514 HB2 GLU 68 2HB GLU 68 7.192 -10.770 -7.364 515 HB3 GLU 68 3HB GLU 68 7.358 -12.106 -6.232 516 HG2 GLU 68 2HG GLU 68 9.467 -11.245 -5.392 517 HG3 GLU 68 3HG GLU 68 9.527 -10.007 -6.660 518 H SER 69 H SER 69 7.530 -11.079 -9.966 519 HA SER 69 HA SER 69 8.221 -10.145 -11.900 520 HB2 SER 69 2HB SER 69 10.109 -8.739 -9.978 521 HB3 SER 69 3HB SER 69 9.691 -8.174 -11.606 522 HG SER 69 HG SER 69 7.522 -8.017 -10.934 Start of MODEL 7 1 H1 MET 1 H1 MET 1 6.817 30.363 9.846 2 H2 MET 1 H2 MET 1 6.503 31.242 11.197 3 H3 MET 1 H3 MET 1 6.021 31.806 9.728 4 HA MET 1 HA MET 1 7.923 32.968 10.578 5 HB2 MET 1 2HB MET 1 10.013 31.964 10.923 6 HB3 MET 1 3HB MET 1 8.837 30.964 11.772 7 HG2 MET 1 2HG MET 1 8.870 29.579 9.479 8 HG3 MET 1 3HG MET 1 10.427 30.390 9.281 9 HE1 MET 1 1HE MET 1 9.268 27.086 12.261 10 HE2 MET 1 2HE MET 1 8.266 28.532 12.010 11 HE3 MET 1 3HE MET 1 8.545 27.394 10.667 12 H LYS 2 H LYS 2 7.703 30.547 7.813 13 HA LYS 2 HA LYS 2 9.416 32.294 6.277 14 HB2 LYS 2 2HB LYS 2 9.111 29.714 6.024 15 HB3 LYS 2 3HB LYS 2 7.665 30.114 5.082 16 HG2 LYS 2 2HG LYS 2 9.162 31.726 3.743 17 HG3 LYS 2 3HG LYS 2 10.539 31.008 4.594 18 HD2 LYS 2 2HD LYS 2 10.067 28.824 3.639 19 HD3 LYS 2 3HD LYS 2 8.562 29.415 2.904 20 HE2 LYS 2 2HE LYS 2 10.896 31.105 2.266 21 HE3 LYS 2 3HE LYS 2 11.138 29.435 1.740 22 HZ1 LYS 2 1HZ LYS 2 9.119 29.562 0.484 23 HZ2 LYS 2 2HZ LYS 2 8.777 31.072 1.043 24 HZ3 LYS 2 3HZ LYS 2 10.074 30.831 0.060 25 H GLN 3 H GLN 3 6.012 31.284 5.563 26 HA GLN 3 HA GLN 3 5.146 34.029 5.643 27 HB2 GLN 3 2HB GLN 3 6.008 33.885 3.283 28 HB3 GLN 3 3HB GLN 3 4.919 32.535 2.984 29 HG2 GLN 3 2HG GLN 3 3.005 34.133 3.717 30 HG3 GLN 3 3HG GLN 3 4.213 35.422 3.659 31 HE21 GLN 3 1HE2 GLN 3 3.685 36.613 1.767 32 HE22 GLN 3 2HE2 GLN 3 3.405 35.816 0.226 33 H ASP 4 H ASP 4 3.922 31.107 3.902 34 HA ASP 4 HA ASP 4 2.333 30.267 6.172 35 HB2 ASP 4 2HB ASP 4 1.003 31.978 4.668 36 HB3 ASP 4 3HB ASP 4 0.947 30.657 3.495 37 H GLY 5 H GLY 5 1.066 28.077 4.944 38 HA2 GLY 5 2HA GLY 5 2.597 26.946 2.784 39 HA3 GLY 5 3HA GLY 5 3.039 26.223 4.347 40 H GLU 6 H GLU 6 1.838 24.635 2.370 41 HA GLU 6 HA GLU 6 -0.892 24.226 3.460 42 HB2 GLU 6 2HB GLU 6 -1.602 23.605 1.212 43 HB3 GLU 6 3HB GLU 6 -1.141 25.301 1.322 44 HG2 GLU 6 2HG GLU 6 0.695 23.137 0.182 45 HG3 GLU 6 3HG GLU 6 -0.458 24.040 -0.778 46 H GLU 7 H GLU 7 -1.544 22.143 3.807 47 HA GLU 7 HA GLU 7 -0.476 19.971 2.440 48 HB2 GLU 7 2HB GLU 7 0.858 20.552 4.945 49 HB3 GLU 7 3HB GLU 7 -0.181 19.153 5.218 50 HG2 GLU 7 2HG GLU 7 1.799 19.393 2.905 51 HG3 GLU 7 3HG GLU 7 2.154 18.609 4.445 52 H GLY 8 H GLY 8 -2.174 18.467 2.497 53 HA2 GLY 8 2HA GLY 8 -4.449 18.726 4.308 54 HA3 GLY 8 3HA GLY 8 -4.716 19.556 2.760 55 H THR 9 H THR 9 -6.540 17.883 2.500 56 HA THR 9 HA THR 9 -5.424 15.791 0.887 57 HB THR 9 HB THR 9 -5.461 14.898 3.294 58 HG1 THR 9 1HG THR 9 -5.090 13.591 1.650 59 HG21 THR 9 1HG2 THR 9 -7.541 13.972 4.078 60 HG22 THR 9 2HG2 THR 9 -7.765 15.713 3.785 61 HG23 THR 9 3HG2 THR 9 -8.395 14.523 2.620 62 H GLU 10 H GLU 10 -6.977 14.867 -0.526 63 HA GLU 10 HA GLU 10 -9.690 15.874 -0.595 64 HB2 GLU 10 2HB GLU 10 -9.381 16.891 -2.833 65 HB3 GLU 10 3HB GLU 10 -8.459 17.728 -1.586 66 HG2 GLU 10 2HG GLU 10 -6.501 16.058 -2.430 67 HG3 GLU 10 3HG GLU 10 -7.475 16.073 -3.898 68 H GLU 11 H GLU 11 -10.883 14.549 -2.091 69 HA GLU 11 HA GLU 11 -11.578 12.535 -2.741 70 HB2 GLU 11 2HB GLU 11 -9.006 12.799 -4.268 71 HB3 GLU 11 3HB GLU 11 -9.983 11.318 -4.382 72 HG2 GLU 11 2HG GLU 11 -11.945 12.551 -5.056 73 HG3 GLU 11 3HG GLU 11 -11.142 14.101 -4.775 74 H ASP 12 H ASP 12 -11.999 10.902 -1.378 75 HA ASP 12 HA ASP 12 -9.883 9.005 -0.780 76 HB2 ASP 12 2HB ASP 12 -9.748 11.035 0.906 77 HB3 ASP 12 3HB ASP 12 -11.157 10.310 1.654 78 H THR 13 H THR 13 -11.757 8.221 -2.203 79 HA THR 13 HA THR 13 -13.767 6.794 -0.565 80 HB THR 13 HB THR 13 -14.194 9.403 -1.885 81 HG1 THR 13 1HG THR 13 -14.442 8.742 0.376 82 HG21 THR 13 1HG2 THR 13 -15.572 8.188 -3.486 83 HG22 THR 13 2HG2 THR 13 -16.436 7.379 -2.147 84 HG23 THR 13 3HG2 THR 13 -16.559 9.135 -2.363 85 H GLU 14 H GLU 14 -11.552 6.357 -2.748 86 HA GLU 14 HA GLU 14 -13.082 4.475 -4.361 87 HB2 GLU 14 2HB GLU 14 -11.532 6.901 -5.309 88 HB3 GLU 14 3HB GLU 14 -11.393 5.422 -6.244 89 HG2 GLU 14 2HG GLU 14 -14.086 6.651 -5.571 90 HG3 GLU 14 3HG GLU 14 -13.157 7.075 -7.005 91 H GLU 15 H GLU 15 -9.716 5.794 -4.479 92 HA GLU 15 HA GLU 15 -8.677 3.540 -2.906 93 HB2 GLU 15 2HB GLU 15 -7.311 2.994 -5.095 94 HB3 GLU 15 3HB GLU 15 -8.910 2.308 -4.851 95 HG2 GLU 15 2HG GLU 15 -9.946 3.817 -6.335 96 HG3 GLU 15 3HG GLU 15 -8.581 4.922 -6.360 97 H LYS 16 H LYS 16 -6.977 4.480 -1.736 98 HA LYS 16 HA LYS 16 -5.079 6.040 -3.314 99 HB2 LYS 16 2HB LYS 16 -4.719 7.717 -1.547 100 HB3 LYS 16 3HB LYS 16 -6.290 7.872 -2.330 101 HG2 LYS 16 2HG LYS 16 -7.460 7.028 -0.523 102 HG3 LYS 16 3HG LYS 16 -5.999 6.364 0.243 103 HD2 LYS 16 2HD LYS 16 -6.678 8.379 1.422 104 HD3 LYS 16 3HD LYS 16 -5.137 8.677 0.606 105 HE2 LYS 16 2HE LYS 16 -6.257 9.867 -1.223 106 HE3 LYS 16 3HE LYS 16 -7.834 9.367 -0.623 107 HZ1 LYS 16 1HZ LYS 16 -7.502 11.569 -0.043 108 HZ2 LYS 16 2HZ LYS 16 -7.424 10.706 1.360 109 HZ3 LYS 16 3HZ LYS 16 -6.047 11.311 0.696 110 H CYS 17 H CYS 17 -3.059 6.091 -2.517 111 HA CYS 17 HA CYS 17 -1.983 3.695 -1.180 112 HB2 CYS 17 2HB CYS 17 -1.166 4.877 -3.274 113 HB3 CYS 17 3HB CYS 17 -0.742 6.242 -2.256 114 H THR 18 H THR 18 -2.007 3.702 1.117 115 HA THR 18 HA THR 18 -2.204 6.147 2.562 116 HB THR 18 HB THR 18 -2.835 3.791 3.346 117 HG1 THR 18 1HG THR 18 -1.467 5.686 4.947 118 HG21 THR 18 1HG2 THR 18 0.009 3.874 4.440 119 HG22 THR 18 2HG2 THR 18 -1.205 2.610 4.666 120 HG23 THR 18 3HG2 THR 18 -0.474 2.870 3.058 121 H ILE 19 H ILE 19 0.572 4.684 1.067 122 HA ILE 19 HA ILE 19 2.481 5.692 3.010 123 HB ILE 19 HB ILE 19 2.556 4.113 0.446 124 HG12 ILE 19 2HG1 ILE 19 3.660 3.304 3.144 125 HG13 ILE 19 3HG1 ILE 19 1.918 3.235 2.864 126 HG21 ILE 19 1HG2 ILE 19 4.895 5.167 2.088 127 HG22 ILE 19 2HG2 ILE 19 5.039 3.854 0.898 128 HG23 ILE 19 3HG2 ILE 19 4.562 5.477 0.370 129 HD11 ILE 19 1HD1 ILE 19 3.963 1.849 1.103 130 HD12 ILE 19 2HD1 ILE 19 3.006 1.076 2.385 131 HD13 ILE 19 3HD1 ILE 19 2.193 1.762 0.962 132 H CYS 20 H CYS 20 1.676 6.326 -0.475 133 HA CYS 20 HA CYS 20 3.350 8.792 -0.571 134 HB2 CYS 20 2HB CYS 20 1.127 7.986 -2.462 135 HB3 CYS 20 3HB CYS 20 2.447 9.125 -2.714 136 H LEU 21 H LEU 21 0.205 7.928 0.647 137 HA LEU 21 HA LEU 21 -1.746 8.932 0.904 138 HB2 LEU 21 2HB LEU 21 0.060 11.255 1.614 139 HB3 LEU 21 3HB LEU 21 -1.667 11.192 1.980 140 HG LEU 21 HG LEU 21 0.283 9.037 2.910 141 HD11 LEU 21 1HD1 LEU 21 -0.676 11.496 4.402 142 HD12 LEU 21 2HD1 LEU 21 0.271 10.144 5.083 143 HD13 LEU 21 3HD1 LEU 21 0.978 11.173 3.825 144 HD21 LEU 21 1HD2 LEU 21 -1.504 8.553 4.551 145 HD22 LEU 21 2HD2 LEU 21 -2.522 9.824 3.835 146 HD23 LEU 21 3HD2 LEU 21 -2.106 8.369 2.904 147 H SER 22 H SER 22 -1.259 8.618 -1.662 148 HA SER 22 HA SER 22 -2.545 10.996 -2.909 149 HB2 SER 22 2HB SER 22 -0.355 9.257 -4.125 150 HB3 SER 22 3HB SER 22 -1.279 10.504 -4.986 151 HG SER 22 HG SER 22 0.693 11.341 -4.213 152 H ILE 23 H ILE 23 -4.171 10.428 -4.421 153 HA ILE 23 HA ILE 23 -5.505 7.937 -4.230 154 HB ILE 23 HB ILE 23 -5.543 10.394 -5.996 155 HG12 ILE 23 2HG1 ILE 23 -6.500 10.330 -3.605 156 HG13 ILE 23 3HG1 ILE 23 -7.500 11.004 -4.890 157 HG21 ILE 23 1HG2 ILE 23 -6.174 8.849 -7.606 158 HG22 ILE 23 2HG2 ILE 23 -7.210 7.919 -6.510 159 HG23 ILE 23 3HG2 ILE 23 -7.679 9.558 -7.030 160 HD11 ILE 23 1HD1 ILE 23 -8.872 9.027 -5.008 161 HD12 ILE 23 2HD1 ILE 23 -7.761 8.125 -3.964 162 HD13 ILE 23 3HD1 ILE 23 -8.712 9.445 -3.299 163 H LEU 24 H LEU 24 -5.768 6.435 -5.937 164 HA LEU 24 HA LEU 24 -3.392 5.891 -7.607 165 HB2 LEU 24 2HB LEU 24 -5.743 4.229 -6.576 166 HB3 LEU 24 3HB LEU 24 -4.392 3.570 -7.495 167 HG LEU 24 HG LEU 24 -4.006 4.988 -4.807 168 HD11 LEU 24 1HD1 LEU 24 -5.358 3.226 -4.262 169 HD12 LEU 24 2HD1 LEU 24 -4.628 2.153 -5.485 170 HD13 LEU 24 3HD1 LEU 24 -3.731 2.585 -3.992 171 HD21 LEU 24 1HD2 LEU 24 -2.055 4.966 -6.042 172 HD22 LEU 24 2HD2 LEU 24 -1.894 3.607 -4.891 173 HD23 LEU 24 3HD2 LEU 24 -2.272 3.284 -6.594 174 H GLU 25 H GLU 25 -4.499 4.264 -9.462 175 HA GLU 25 HA GLU 25 -7.103 5.318 -10.249 176 HB2 GLU 25 2HB GLU 25 -6.589 5.760 -12.576 177 HB3 GLU 25 3HB GLU 25 -5.539 6.741 -11.545 178 HG2 GLU 25 2HG GLU 25 -3.702 5.111 -11.884 179 HG3 GLU 25 3HG GLU 25 -4.755 4.121 -12.907 180 H GLU 26 H GLU 26 -8.099 3.987 -12.045 181 HA GLU 26 HA GLU 26 -7.947 1.263 -11.250 182 HB2 GLU 26 2HB GLU 26 -10.043 2.258 -12.012 183 HB3 GLU 26 3HB GLU 26 -9.368 2.547 -13.627 184 HG2 GLU 26 2HG GLU 26 -9.164 0.143 -14.033 185 HG3 GLU 26 3HG GLU 26 -9.577 -0.216 -12.354 186 H GLY 27 H GLY 27 -6.425 -0.166 -11.798 187 HA2 GLY 27 2HA GLY 27 -5.369 -1.588 -13.376 188 HA3 GLY 27 3HA GLY 27 -5.557 -0.354 -14.627 189 H GLU 28 H GLU 28 -4.380 1.065 -11.694 190 HA GLU 28 HA GLU 28 -1.853 1.609 -12.880 191 HB2 GLU 28 2HB GLU 28 -3.274 2.996 -11.286 192 HB3 GLU 28 3HB GLU 28 -2.726 1.940 -9.984 193 HG2 GLU 28 2HG GLU 28 -0.379 2.652 -10.449 194 HG3 GLU 28 3HG GLU 28 -0.954 3.636 -11.805 195 H ASP 29 H ASP 29 0.220 1.188 -11.772 196 HA ASP 29 HA ASP 29 0.659 -1.595 -11.129 197 HB2 ASP 29 2HB ASP 29 2.443 0.833 -10.805 198 HB3 ASP 29 3HB ASP 29 2.960 -0.841 -10.630 199 H VAL 30 H VAL 30 -0.311 -2.270 -9.261 200 HA VAL 30 HA VAL 30 0.467 -0.962 -6.727 201 HB VAL 30 HB VAL 30 -1.752 -1.029 -5.845 202 HG11 VAL 30 1HG1 VAL 30 -2.016 0.193 -8.608 203 HG12 VAL 30 2HG1 VAL 30 -2.873 0.659 -7.139 204 HG13 VAL 30 3HG1 VAL 30 -1.135 0.958 -7.274 205 HG21 VAL 30 1HG2 VAL 30 -2.592 -2.287 -8.494 206 HG22 VAL 30 2HG2 VAL 30 -2.672 -3.033 -6.878 207 HG23 VAL 30 3HG2 VAL 30 -3.717 -1.666 -7.280 208 H ARG 31 H ARG 31 0.005 -2.507 -4.848 209 HA ARG 31 HA ARG 31 0.234 -5.313 -5.711 210 HB2 ARG 31 2HB ARG 31 2.274 -3.684 -4.369 211 HB3 ARG 31 3HB ARG 31 1.785 -4.993 -3.309 212 HG2 ARG 31 2HG ARG 31 2.449 -5.600 -6.198 213 HG3 ARG 31 3HG ARG 31 3.758 -5.286 -5.056 214 HD2 ARG 31 2HD ARG 31 1.631 -7.415 -4.618 215 HD3 ARG 31 3HD ARG 31 3.188 -7.691 -5.418 216 HE ARG 31 HE ARG 31 3.463 -6.435 -2.821 217 HH11 ARG 31 1HH1 ARG 31 4.734 -9.361 -1.321 218 HH12 ARG 31 2HH1 ARG 31 4.535 -7.660 -1.153 219 HH21 ARG 31 1HH2 ARG 31 3.934 -10.460 -3.256 220 HH22 ARG 31 2HH2 ARG 31 3.123 -9.539 -4.472 221 H ARG 32 H ARG 32 -0.168 -6.716 -3.669 222 HA ARG 32 HA ARG 32 -2.304 -5.470 -2.029 223 HB2 ARG 32 2HB ARG 32 -3.391 -6.917 -3.669 224 HB3 ARG 32 3HB ARG 32 -2.177 -8.180 -3.439 225 HG2 ARG 32 2HG ARG 32 -4.224 -8.848 -2.343 226 HG3 ARG 32 3HG ARG 32 -2.983 -8.585 -1.138 227 HD2 ARG 32 2HD ARG 32 -4.751 -7.465 -0.135 228 HD3 ARG 32 3HD ARG 32 -4.014 -6.136 -0.992 229 HE ARG 32 HE ARG 32 -5.793 -5.969 -2.400 230 HH11 ARG 32 1HH1 ARG 32 -8.677 -7.972 -2.762 231 HH12 ARG 32 2HH1 ARG 32 -7.902 -6.509 -3.240 232 HH21 ARG 32 1HH2 ARG 32 -7.602 -9.435 -1.238 233 HH22 ARG 32 2HH2 ARG 32 -6.030 -9.025 -0.655 234 H LEU 33 H LEU 33 -2.315 -6.129 0.121 235 HA LEU 33 HA LEU 33 -0.233 -7.964 1.042 236 HB2 LEU 33 2HB LEU 33 -0.237 -6.216 3.053 237 HB3 LEU 33 3HB LEU 33 0.858 -6.031 1.695 238 HG LEU 33 HG LEU 33 -1.846 -4.664 1.664 239 HD11 LEU 33 1HD1 LEU 33 -0.836 -4.145 3.863 240 HD12 LEU 33 2HD1 LEU 33 0.674 -3.662 3.068 241 HD13 LEU 33 3HD1 LEU 33 -0.813 -2.728 2.809 242 HD21 LEU 33 1HD2 LEU 33 0.918 -4.037 0.530 243 HD22 LEU 33 2HD2 LEU 33 -0.539 -4.388 -0.404 244 HD23 LEU 33 3HD2 LEU 33 -0.443 -2.884 0.487 245 HA PRO 34 HA PRO 34 -3.433 -9.965 2.916 246 HB2 PRO 34 2HB PRO 34 -2.534 -10.754 5.407 247 HB3 PRO 34 3HB PRO 34 -1.949 -11.430 3.856 248 HG2 PRO 34 2HG PRO 34 -0.663 -9.300 5.570 249 HG3 PRO 34 3HG PRO 34 0.106 -10.682 4.721 250 HD2 PRO 34 2HD PRO 34 0.045 -8.098 3.807 251 HD3 PRO 34 3HD PRO 34 0.157 -9.468 2.705 252 H CYS 35 H CYS 35 -2.272 -7.197 4.685 253 HA CYS 35 HA CYS 35 -4.534 -6.761 6.502 254 HB2 CYS 35 2HB CYS 35 -2.085 -5.916 6.584 255 HB3 CYS 35 3HB CYS 35 -2.576 -4.811 5.289 256 H MET 36 H MET 36 -5.026 -7.201 3.363 257 HA MET 36 HA MET 36 -6.462 -6.360 1.813 258 HB2 MET 36 2HB MET 36 -7.886 -5.856 4.446 259 HB3 MET 36 3HB MET 36 -8.679 -5.633 2.876 260 HG2 MET 36 2HG MET 36 -7.291 -8.220 3.664 261 HG3 MET 36 3HG MET 36 -8.992 -7.893 3.951 262 HE1 MET 36 1HE MET 36 -9.644 -10.250 1.006 263 HE2 MET 36 2HE MET 36 -8.703 -10.427 2.507 264 HE3 MET 36 3HE MET 36 -10.272 -9.584 2.528 265 H HIS 37 H HIS 37 -4.409 -4.737 2.029 266 HA HIS 37 HA HIS 37 -5.579 -2.039 1.741 267 HB2 HIS 37 1HB HIS 37 -3.311 -3.002 3.472 268 HB3 HIS 37 2HB HIS 37 -2.994 -1.565 2.524 269 HD2 HIS 37 2HD HIS 37 -5.768 -0.091 2.688 270 HE1 HIS 37 1HE HIS 37 -5.175 0.059 6.885 271 HE2 HIS 37 2HE HIS 37 -6.460 1.050 4.918 272 H LEU 38 H LEU 38 -4.755 -0.914 -0.108 273 HA LEU 38 HA LEU 38 -3.287 -2.622 -2.060 274 HB2 LEU 38 2HB LEU 38 -5.691 -2.714 -2.489 275 HB3 LEU 38 3HB LEU 38 -5.831 -0.964 -2.418 276 HG LEU 38 HG LEU 38 -4.159 -2.440 -4.509 277 HD11 LEU 38 1HD1 LEU 38 -6.990 -1.320 -4.732 278 HD12 LEU 38 2HD1 LEU 38 -6.055 -2.066 -6.036 279 HD13 LEU 38 3HD1 LEU 38 -6.580 -3.051 -4.663 280 HD21 LEU 38 1HD2 LEU 38 -5.121 0.418 -4.165 281 HD22 LEU 38 2HD2 LEU 38 -3.468 -0.138 -4.533 282 HD23 LEU 38 3HD2 LEU 38 -4.719 -0.213 -5.766 283 H PHE 39 H PHE 39 -1.421 -1.551 -2.444 284 HA PHE 39 HA PHE 39 -1.388 1.437 -2.376 285 HB2 PHE 39 2HB PHE 39 0.461 -0.534 -0.990 286 HB3 PHE 39 3HB PHE 39 0.743 1.198 -1.063 287 HD1 PHE 39 1HD PHE 39 -2.408 1.789 -0.414 288 HD2 PHE 39 2HD PHE 39 0.700 -0.557 1.432 289 HE1 PHE 39 1HE PHE 39 -3.584 1.941 1.728 290 HE2 PHE 39 2HE PHE 39 -0.466 -0.354 3.606 291 HZ PHE 39 HZ PHE 39 -2.617 0.880 3.761 292 H HIS 40 H HIS 40 0.487 2.314 -3.623 293 HA HIS 40 HA HIS 40 0.800 1.094 -6.125 294 HB2 HIS 40 1HB HIS 40 2.761 2.934 -4.727 295 HB3 HIS 40 2HB HIS 40 2.869 2.489 -6.416 296 HD2 HIS 40 2HD HIS 40 0.686 3.260 -8.026 297 HE1 HIS 40 1HE HIS 40 0.160 6.827 -5.760 298 HE2 HIS 40 2HE HIS 40 -0.353 5.626 -7.991 299 H GLN 41 H GLN 41 2.462 -0.052 -7.164 300 HA GLN 41 HA GLN 41 3.959 -1.972 -5.632 301 HB2 GLN 41 2HB GLN 41 3.121 -1.545 -8.370 302 HB3 GLN 41 3HB GLN 41 4.856 -1.830 -8.378 303 HG2 GLN 41 2HG GLN 41 4.494 -3.851 -6.951 304 HG3 GLN 41 3HG GLN 41 2.750 -3.547 -7.027 305 HE21 GLN 41 1HE2 GLN 41 1.597 -4.468 -8.795 306 HE22 GLN 41 2HE2 GLN 41 2.440 -5.141 -10.184 307 H VAL 42 H VAL 42 4.679 1.071 -5.501 308 HA VAL 42 HA VAL 42 7.628 0.710 -5.747 309 HB VAL 42 HB VAL 42 5.956 3.171 -6.429 310 HG11 VAL 42 1HG1 VAL 42 8.986 2.811 -6.354 311 HG12 VAL 42 2HG1 VAL 42 8.135 4.213 -7.043 312 HG13 VAL 42 3HG1 VAL 42 8.023 3.883 -5.310 313 HG21 VAL 42 1HG2 VAL 42 6.978 2.880 -8.682 314 HG22 VAL 42 2HG2 VAL 42 7.746 1.377 -8.126 315 HG23 VAL 42 3HG2 VAL 42 5.979 1.494 -8.233 316 H CYS 43 H CYS 43 5.100 2.878 -4.347 317 HA CYS 43 HA CYS 43 6.249 3.630 -1.909 318 HB2 CYS 43 2HB CYS 43 3.391 2.725 -2.430 319 HB3 CYS 43 3HB CYS 43 3.971 3.789 -1.160 320 H VAL 44 H VAL 44 4.201 0.669 -2.453 321 HA VAL 44 HA VAL 44 4.848 -0.153 0.215 322 HB VAL 44 HB VAL 44 2.657 -0.423 -1.089 323 HG11 VAL 44 1HG1 VAL 44 3.758 -1.810 -2.946 324 HG12 VAL 44 2HG1 VAL 44 3.927 -3.104 -1.757 325 HG13 VAL 44 3HG1 VAL 44 2.303 -2.514 -2.201 326 HG21 VAL 44 1HG2 VAL 44 3.250 -1.196 1.225 327 HG22 VAL 44 2HG2 VAL 44 2.069 -2.222 0.394 328 HG23 VAL 44 3HG2 VAL 44 3.772 -2.737 0.522 329 H ASP 45 H ASP 45 6.353 -0.627 -2.779 330 HA ASP 45 HA ASP 45 7.681 -3.154 -2.219 331 HB2 ASP 45 2HB ASP 45 7.716 -2.300 -4.488 332 HB3 ASP 45 3HB ASP 45 8.519 -0.809 -3.973 333 H GLN 46 H GLN 46 8.861 0.269 -2.008 334 HA GLN 46 HA GLN 46 11.054 -0.501 -0.355 335 HB2 GLN 46 2HB GLN 46 9.706 2.212 -0.727 336 HB3 GLN 46 3HB GLN 46 11.222 1.975 0.156 337 HG2 GLN 46 2HG GLN 46 10.791 1.265 -2.783 338 HG3 GLN 46 3HG GLN 46 11.605 2.709 -2.178 339 HE21 GLN 46 1HE2 GLN 46 12.047 -0.680 -2.988 340 HE22 GLN 46 2HE2 GLN 46 13.696 -0.751 -2.410 341 H ALA 47 H ALA 47 7.728 0.275 0.526 342 HA ALA 47 HA ALA 47 8.158 0.447 3.336 343 HB1 ALA 47 1HB ALA 47 5.852 -0.921 1.905 344 HB2 ALA 47 2HB ALA 47 5.844 -0.245 3.543 345 HB3 ALA 47 3HB ALA 47 5.993 0.840 2.139 346 H LEU 48 H LEU 48 7.377 -2.459 1.352 347 HA LEU 48 HA LEU 48 7.485 -4.313 3.448 348 HB2 LEU 48 2HB LEU 48 6.393 -4.563 1.241 349 HB3 LEU 48 3HB LEU 48 7.958 -4.748 0.458 350 HG LEU 48 HG LEU 48 7.097 -6.608 2.711 351 HD11 LEU 48 1HD1 LEU 48 5.281 -6.559 1.005 352 HD12 LEU 48 2HD1 LEU 48 6.484 -6.929 -0.254 353 HD13 LEU 48 3HD1 LEU 48 6.128 -8.113 1.034 354 HD21 LEU 48 1HD2 LEU 48 8.893 -7.011 0.268 355 HD22 LEU 48 2HD2 LEU 48 9.452 -6.861 1.942 356 HD23 LEU 48 3HD2 LEU 48 8.486 -8.257 1.468 357 H ILE 49 H ILE 49 10.071 -3.396 1.086 358 HA ILE 49 HA ILE 49 11.924 -5.300 2.113 359 HB ILE 49 HB ILE 49 13.618 -4.193 0.892 360 HG12 ILE 49 2HG1 ILE 49 12.777 -1.968 -0.371 361 HG13 ILE 49 3HG1 ILE 49 11.968 -1.770 1.186 362 HG21 ILE 49 1HG2 ILE 49 11.127 -3.821 -0.783 363 HG22 ILE 49 2HG2 ILE 49 12.745 -4.280 -1.302 364 HG23 ILE 49 3HG2 ILE 49 11.773 -5.412 -0.343 365 HD11 ILE 49 1HD1 ILE 49 14.942 -2.065 0.659 366 HD12 ILE 49 2HD1 ILE 49 14.086 -0.663 1.335 367 HD13 ILE 49 3HD1 ILE 49 14.248 -2.148 2.289 368 H THR 50 H THR 50 11.144 -1.952 3.137 369 HA THR 50 HA THR 50 13.351 -1.734 4.939 370 HB THR 50 HB THR 50 10.650 -0.337 4.771 371 HG1 THR 50 1HG THR 50 11.958 0.284 3.171 372 HG21 THR 50 1HG2 THR 50 11.346 -0.153 7.112 373 HG22 THR 50 2HG2 THR 50 12.993 0.304 6.608 374 HG23 THR 50 3HG2 THR 50 11.619 1.380 6.273 375 H ASN 51 H ASN 51 9.947 -2.885 5.301 376 HA ASN 51 HA ASN 51 10.699 -4.707 7.376 377 HB2 ASN 51 2HB ASN 51 10.071 -2.059 8.246 378 HB3 ASN 51 3HB ASN 51 8.583 -2.956 8.468 379 HD21 ASN 51 1HD2 ASN 51 12.122 -3.588 8.875 380 HD22 ASN 51 2HD2 ASN 51 11.950 -4.258 10.498 381 H LYS 52 H LYS 52 9.159 -6.426 7.209 382 HA LYS 52 HA LYS 52 7.049 -6.012 5.187 383 HB2 LYS 52 2HB LYS 52 7.652 -8.519 6.809 384 HB3 LYS 52 3HB LYS 52 6.648 -8.362 5.375 385 HG2 LYS 52 2HG LYS 52 8.468 -9.152 4.329 386 HG3 LYS 52 3HG LYS 52 8.932 -7.455 4.286 387 HD2 LYS 52 2HD LYS 52 10.470 -7.763 6.147 388 HD3 LYS 52 3HD LYS 52 9.717 -9.314 6.570 389 HE2 LYS 52 2HE LYS 52 11.660 -9.986 5.506 390 HE3 LYS 52 3HE LYS 52 10.405 -10.182 4.301 391 HZ1 LYS 52 1HZ LYS 52 12.313 -7.934 4.449 392 HZ2 LYS 52 2HZ LYS 52 12.294 -9.149 3.335 393 HZ3 LYS 52 3HZ LYS 52 11.077 -8.032 3.366 394 H LYS 53 H LYS 53 6.115 -4.275 6.794 395 HA LYS 53 HA LYS 53 3.920 -5.668 8.150 396 HB2 LYS 53 2HB LYS 53 4.133 -4.219 10.159 397 HB3 LYS 53 3HB LYS 53 5.454 -5.370 9.978 398 HG2 LYS 53 2HG LYS 53 6.949 -3.705 10.091 399 HG3 LYS 53 3HG LYS 53 6.307 -3.004 8.611 400 HD2 LYS 53 2HD LYS 53 6.191 -1.273 10.165 401 HD3 LYS 53 3HD LYS 53 4.526 -1.864 10.064 402 HE2 LYS 53 2HE LYS 53 4.527 -2.380 12.265 403 HE3 LYS 53 3HE LYS 53 5.931 -3.439 12.036 404 HZ1 LYS 53 1HZ LYS 53 7.351 -1.518 12.268 405 HZ2 LYS 53 2HZ LYS 53 6.051 -0.534 12.517 406 HZ3 LYS 53 3HZ LYS 53 6.423 -1.712 13.608 407 H CYS 54 H CYS 54 2.033 -4.532 7.949 408 HA CYS 54 HA CYS 54 1.798 -2.442 5.921 409 HB2 CYS 54 2HB CYS 54 0.039 -4.145 6.864 410 HB3 CYS 54 3HB CYS 54 -0.090 -3.000 8.191 411 HA PRO 55 HA PRO 55 3.122 0.836 8.723 412 HB2 PRO 55 2HB PRO 55 2.378 3.066 7.324 413 HB3 PRO 55 3HB PRO 55 3.717 2.004 6.780 414 HG2 PRO 55 2HG PRO 55 0.820 1.945 5.875 415 HG3 PRO 55 3HG PRO 55 2.291 1.997 4.852 416 HD2 PRO 55 2HD PRO 55 1.026 -0.336 5.411 417 HD3 PRO 55 3HD PRO 55 2.814 -0.262 5.335 418 H ILE 56 H ILE 56 2.154 1.952 10.394 419 HA ILE 56 HA ILE 56 0.658 2.759 11.841 420 HB ILE 56 HB ILE 56 -1.347 2.831 9.564 421 HG12 ILE 56 2HG1 ILE 56 -0.253 5.262 10.951 422 HG13 ILE 56 3HG1 ILE 56 0.854 4.429 9.859 423 HG21 ILE 56 1HG2 ILE 56 -2.653 4.298 11.115 424 HG22 ILE 56 2HG2 ILE 56 -2.576 2.616 11.646 425 HG23 ILE 56 3HG2 ILE 56 -1.550 3.833 12.430 426 HD11 ILE 56 1HD1 ILE 56 -0.424 6.213 8.707 427 HD12 ILE 56 2HD1 ILE 56 -0.712 4.608 8.005 428 HD13 ILE 56 3HD1 ILE 56 -1.937 5.350 9.062 429 H CYS 57 H CYS 57 -0.876 0.190 9.798 430 HA CYS 57 HA CYS 57 -1.939 -1.282 12.118 431 HB2 CYS 57 2HB CYS 57 -1.273 -2.981 9.913 432 HB3 CYS 57 3HB CYS 57 -2.836 -2.577 10.563 433 H ARG 58 H ARG 58 -0.890 -3.619 12.301 434 HA ARG 58 HA ARG 58 2.027 -3.560 12.128 435 HB2 ARG 58 2HB ARG 58 1.473 -2.543 14.405 436 HB3 ARG 58 3HB ARG 58 0.754 -4.105 14.841 437 HG2 ARG 58 2HG ARG 58 3.029 -5.143 14.183 438 HG3 ARG 58 3HG ARG 58 3.664 -3.501 14.133 439 HD2 ARG 58 2HD ARG 58 2.269 -4.632 16.602 440 HD3 ARG 58 3HD ARG 58 3.966 -4.927 16.268 441 HE ARG 58 HE ARG 58 4.544 -2.835 16.838 442 HH11 ARG 58 1HH1 ARG 58 2.658 -0.210 18.216 443 HH12 ARG 58 2HH1 ARG 58 4.246 -0.826 17.952 444 HH21 ARG 58 1HH2 ARG 58 0.771 -1.429 17.461 445 HH22 ARG 58 2HH2 ARG 58 1.026 -2.939 16.660 446 H VAL 59 H VAL 59 0.849 -4.928 10.450 447 HA VAL 59 HA VAL 59 0.410 -7.688 11.476 448 HB VAL 59 HB VAL 59 -0.877 -6.460 9.013 449 HG11 VAL 59 1HG1 VAL 59 -2.401 -8.393 9.163 450 HG12 VAL 59 2HG1 VAL 59 -0.718 -8.910 9.019 451 HG13 VAL 59 3HG1 VAL 59 -1.529 -8.973 10.600 452 HG21 VAL 59 1HG2 VAL 59 -3.023 -6.372 10.285 453 HG22 VAL 59 2HG2 VAL 59 -2.131 -6.743 11.777 454 HG23 VAL 59 3HG2 VAL 59 -1.837 -5.223 10.897 455 H ASP 60 H ASP 60 1.632 -9.156 10.442 456 HA ASP 60 HA ASP 60 3.860 -8.330 8.828 457 HB2 ASP 60 2HB ASP 60 4.028 -10.320 10.217 458 HB3 ASP 60 3HB ASP 60 2.659 -11.067 9.379 459 H ILE 61 H ILE 61 4.140 -8.560 6.647 460 HA ILE 61 HA ILE 61 1.821 -9.507 5.042 461 HB ILE 61 HB ILE 61 2.284 -7.879 3.398 462 HG12 ILE 61 2HG1 ILE 61 4.639 -7.029 5.116 463 HG13 ILE 61 3HG1 ILE 61 4.736 -7.828 3.534 464 HG21 ILE 61 1HG2 ILE 61 0.981 -7.237 5.547 465 HG22 ILE 61 2HG2 ILE 61 2.439 -6.332 6.003 466 HG23 ILE 61 3HG2 ILE 61 1.544 -5.910 4.522 467 HD11 ILE 61 1HD1 ILE 61 5.053 -5.526 3.179 468 HD12 ILE 61 2HD1 ILE 61 3.416 -5.974 2.582 469 HD13 ILE 61 3HD1 ILE 61 3.615 -5.102 4.133 470 H GLU 62 H GLU 62 5.151 -9.943 5.745 471 HA GLU 62 HA GLU 62 6.235 -10.885 3.379 472 HB2 GLU 62 2HB GLU 62 7.360 -10.689 5.678 473 HB3 GLU 62 3HB GLU 62 6.596 -12.221 6.105 474 HG2 GLU 62 2HG GLU 62 7.707 -13.292 4.128 475 HG3 GLU 62 3HG GLU 62 8.468 -11.745 3.742 476 H ALA 63 H ALA 63 4.210 -12.669 5.796 477 HA ALA 63 HA ALA 63 3.193 -14.293 3.547 478 HB1 ALA 63 1HB ALA 63 4.989 -15.668 4.556 479 HB2 ALA 63 2HB ALA 63 4.253 -15.466 6.160 480 HB3 ALA 63 3HB ALA 63 3.392 -16.371 4.891 481 H GLN 64 H GLN 64 1.079 -15.349 4.199 482 HA GLN 64 HA GLN 64 -0.344 -13.627 6.150 483 HB2 GLN 64 2HB GLN 64 -1.374 -14.269 3.928 484 HB3 GLN 64 3HB GLN 64 -1.449 -15.941 4.506 485 HG2 GLN 64 2HG GLN 64 -2.761 -15.055 6.526 486 HG3 GLN 64 3HG GLN 64 -2.796 -13.482 5.724 487 HE21 GLN 64 1HE2 GLN 64 -3.888 -13.405 3.499 488 HE22 GLN 64 2HE2 GLN 64 -5.178 -14.579 3.247 489 H LEU 65 H LEU 65 1.173 -14.409 7.875 490 HA LEU 65 HA LEU 65 0.353 -17.098 8.883 491 HB2 LEU 65 2HB LEU 65 2.984 -15.996 8.404 492 HB3 LEU 65 3HB LEU 65 2.774 -16.158 10.134 493 HG LEU 65 HG LEU 65 3.788 -18.143 9.311 494 HD11 LEU 65 1HD1 LEU 65 2.398 -19.829 10.204 495 HD12 LEU 65 2HD1 LEU 65 1.947 -18.352 11.073 496 HD13 LEU 65 3HD1 LEU 65 0.911 -18.990 9.769 497 HD21 LEU 65 1HD2 LEU 65 3.138 -18.047 6.968 498 HD22 LEU 65 2HD2 LEU 65 2.715 -19.629 7.647 499 HD23 LEU 65 3HD2 LEU 65 1.449 -18.413 7.375 500 HA PRO 66 HA PRO 66 -1.224 -14.187 11.960 501 HB2 PRO 66 2HB PRO 66 -3.124 -15.742 13.124 502 HB3 PRO 66 3HB PRO 66 -3.295 -15.146 11.449 503 HG2 PRO 66 2HG PRO 66 -2.252 -17.859 12.335 504 HG3 PRO 66 3HG PRO 66 -3.542 -17.510 11.137 505 HD2 PRO 66 2HD PRO 66 -0.947 -17.960 10.412 506 HD3 PRO 66 3HD PRO 66 -1.976 -16.796 9.524 507 H SER 67 H SER 67 1.273 -14.855 12.554 508 HA SER 67 HA SER 67 1.214 -15.306 15.401 509 HB2 SER 67 2HB SER 67 1.947 -17.501 13.588 510 HB3 SER 67 3HB SER 67 3.330 -17.012 14.576 511 HG SER 67 HG SER 67 2.049 -17.303 16.421 512 H GLU 68 H GLU 68 2.580 -13.725 16.113 513 HA GLU 68 HA GLU 68 5.171 -13.365 14.846 514 HB2 GLU 68 2HB GLU 68 3.120 -11.143 15.163 515 HB3 GLU 68 3HB GLU 68 4.825 -10.809 15.440 516 HG2 GLU 68 2HG GLU 68 4.973 -12.161 13.046 517 HG3 GLU 68 3HG GLU 68 3.419 -11.340 12.881 518 H SER 69 H SER 69 6.382 -11.730 16.642 519 HA SER 69 HA SER 69 5.557 -12.412 19.328 520 HB2 SER 69 2HB SER 69 6.744 -14.492 18.500 521 HB3 SER 69 3HB SER 69 8.176 -13.484 18.190 522 HG SER 69 HG SER 69 7.914 -12.842 20.467 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -25.875 44.110 -1.761 2 H2 MET 1 H2 MET 1 -26.872 45.154 -0.964 3 H3 MET 1 H3 MET 1 -25.265 45.102 -0.598 4 HA MET 1 HA MET 1 -26.511 44.017 1.105 5 HB2 MET 1 2HB MET 1 -27.531 42.374 -1.233 6 HB3 MET 1 3HB MET 1 -27.544 41.766 0.434 7 HG2 MET 1 2HG MET 1 -28.849 43.709 1.167 8 HG3 MET 1 3HG MET 1 -28.886 44.334 -0.489 9 HE1 MET 1 1HE MET 1 -31.361 43.607 1.622 10 HE2 MET 1 2HE MET 1 -31.578 44.487 0.089 11 HE3 MET 1 3HE MET 1 -32.564 43.049 0.440 12 H LYS 2 H LYS 2 -25.507 41.416 -1.247 13 HA LYS 2 HA LYS 2 -22.841 41.438 -0.142 14 HB2 LYS 2 2HB LYS 2 -24.815 39.761 1.079 15 HB3 LYS 2 3HB LYS 2 -23.978 38.700 -0.028 16 HG2 LYS 2 2HG LYS 2 -22.285 38.500 1.439 17 HG3 LYS 2 3HG LYS 2 -21.919 40.204 1.255 18 HD2 LYS 2 2HD LYS 2 -24.015 40.406 3.010 19 HD3 LYS 2 3HD LYS 2 -23.440 38.779 3.405 20 HE2 LYS 2 2HE LYS 2 -22.242 40.230 4.848 21 HE3 LYS 2 3HE LYS 2 -21.091 39.818 3.565 22 HZ1 LYS 2 1HZ LYS 2 -21.687 41.928 2.498 23 HZ2 LYS 2 2HZ LYS 2 -22.713 42.292 3.716 24 HZ3 LYS 2 3HZ LYS 2 -21.095 42.182 4.015 25 H GLN 3 H GLN 3 -21.705 39.340 -1.264 26 HA GLN 3 HA GLN 3 -23.053 38.448 -3.624 27 HB2 GLN 3 2HB GLN 3 -21.578 40.636 -4.214 28 HB3 GLN 3 3HB GLN 3 -20.252 39.471 -4.108 29 HG2 GLN 3 2HG GLN 3 -21.978 38.029 -5.645 30 HG3 GLN 3 3HG GLN 3 -22.537 39.652 -6.061 31 HE21 GLN 3 1HE2 GLN 3 -21.408 40.624 -7.811 32 HE22 GLN 3 2HE2 GLN 3 -19.811 40.066 -8.297 33 H ASP 4 H ASP 4 -22.294 36.275 -3.984 34 HA ASP 4 HA ASP 4 -19.936 35.305 -2.569 35 HB2 ASP 4 2HB ASP 4 -22.798 34.640 -1.780 36 HB3 ASP 4 3HB ASP 4 -21.505 33.458 -1.576 37 H GLY 5 H GLY 5 -19.983 32.752 -3.070 38 HA2 GLY 5 2HA GLY 5 -21.060 32.278 -5.800 39 HA3 GLY 5 3HA GLY 5 -19.324 32.082 -5.482 40 H GLU 6 H GLU 6 -19.422 29.771 -5.925 41 HA GLU 6 HA GLU 6 -20.362 28.216 -3.626 42 HB2 GLU 6 2HB GLU 6 -21.148 27.721 -6.531 43 HB3 GLU 6 3HB GLU 6 -20.954 26.394 -5.385 44 HG2 GLU 6 2HG GLU 6 -22.559 27.812 -3.850 45 HG3 GLU 6 3HG GLU 6 -23.028 28.579 -5.376 46 H GLU 7 H GLU 7 -19.200 26.056 -3.613 47 HA GLU 7 HA GLU 7 -16.974 25.710 -5.371 48 HB2 GLU 7 2HB GLU 7 -16.150 27.347 -3.570 49 HB3 GLU 7 3HB GLU 7 -16.457 26.078 -2.384 50 HG2 GLU 7 2HG GLU 7 -14.440 25.173 -2.851 51 HG3 GLU 7 3HG GLU 7 -14.970 24.850 -4.502 52 H GLY 8 H GLY 8 -16.860 23.494 -5.519 53 HA2 GLY 8 2HA GLY 8 -18.642 21.861 -3.783 54 HA3 GLY 8 3HA GLY 8 -17.962 21.378 -5.348 55 H THR 9 H THR 9 -17.723 19.497 -3.374 56 HA THR 9 HA THR 9 -14.848 19.565 -2.722 57 HB THR 9 HB THR 9 -15.499 18.511 -0.512 58 HG1 THR 9 1HG THR 9 -17.588 18.685 0.142 59 HG21 THR 9 1HG2 THR 9 -15.981 20.610 0.621 60 HG22 THR 9 2HG2 THR 9 -14.848 20.931 -0.708 61 HG23 THR 9 3HG2 THR 9 -16.566 21.346 -0.882 62 H GLU 10 H GLU 10 -14.152 17.232 -2.066 63 HA GLU 10 HA GLU 10 -15.674 15.130 -3.433 64 HB2 GLU 10 2HB GLU 10 -12.899 16.148 -4.163 65 HB3 GLU 10 3HB GLU 10 -13.374 14.470 -4.460 66 HG2 GLU 10 2HG GLU 10 -15.230 15.173 -5.876 67 HG3 GLU 10 3HG GLU 10 -14.884 16.879 -5.553 68 H GLU 11 H GLU 11 -14.829 12.976 -2.727 69 HA GLU 11 HA GLU 11 -13.091 12.949 -0.357 70 HB2 GLU 11 2HB GLU 11 -16.068 12.508 -0.444 71 HB3 GLU 11 3HB GLU 11 -15.118 11.328 0.470 72 HG2 GLU 11 2HG GLU 11 -14.187 13.014 1.900 73 HG3 GLU 11 3HG GLU 11 -14.846 14.321 0.908 74 H ASP 12 H ASP 12 -11.811 11.072 -0.497 75 HA ASP 12 HA ASP 12 -12.903 8.634 -1.584 76 HB2 ASP 12 2HB ASP 12 -12.121 9.830 -3.654 77 HB3 ASP 12 3HB ASP 12 -10.494 9.882 -2.976 78 H THR 13 H THR 13 -11.989 7.011 -0.455 79 HA THR 13 HA THR 13 -9.326 7.301 0.771 80 HB THR 13 HB THR 13 -11.845 6.635 2.360 81 HG1 THR 13 1HG THR 13 -11.740 8.772 2.111 82 HG21 THR 13 1HG2 THR 13 -10.269 6.912 4.349 83 HG22 THR 13 2HG2 THR 13 -10.092 5.410 3.445 84 HG23 THR 13 3HG2 THR 13 -8.920 6.732 3.202 85 H GLU 14 H GLU 14 -11.062 5.589 -1.371 86 HA GLU 14 HA GLU 14 -11.079 2.984 -0.104 87 HB2 GLU 14 2HB GLU 14 -11.791 4.056 -2.872 88 HB3 GLU 14 3HB GLU 14 -11.726 2.332 -2.514 89 HG2 GLU 14 2HG GLU 14 -13.950 2.775 -2.181 90 HG3 GLU 14 3HG GLU 14 -13.319 2.800 -0.543 91 H GLU 15 H GLU 15 -9.228 4.596 -2.712 92 HA GLU 15 HA GLU 15 -7.203 2.413 -2.446 93 HB2 GLU 15 2HB GLU 15 -6.820 2.688 -4.887 94 HB3 GLU 15 3HB GLU 15 -8.302 1.876 -4.395 95 HG2 GLU 15 2HG GLU 15 -9.657 3.812 -4.928 96 HG3 GLU 15 3HG GLU 15 -8.236 4.808 -5.217 97 H LYS 16 H LYS 16 -6.037 3.641 -0.973 98 HA LYS 16 HA LYS 16 -4.559 5.895 -2.252 99 HB2 LYS 16 2HB LYS 16 -5.672 5.606 0.509 100 HB3 LYS 16 3HB LYS 16 -4.098 6.389 0.358 101 HG2 LYS 16 2HG LYS 16 -4.945 8.023 -1.200 102 HG3 LYS 16 3HG LYS 16 -6.523 7.213 -1.254 103 HD2 LYS 16 2HD LYS 16 -7.013 7.814 1.015 104 HD3 LYS 16 3HD LYS 16 -5.371 8.461 1.268 105 HE2 LYS 16 2HE LYS 16 -5.712 10.269 -0.226 106 HE3 LYS 16 3HE LYS 16 -7.109 9.497 -0.986 107 HZ1 LYS 16 1HZ LYS 16 -8.432 9.920 0.871 108 HZ2 LYS 16 2HZ LYS 16 -7.159 10.465 1.789 109 HZ3 LYS 16 3HZ LYS 16 -7.699 11.323 0.487 110 H CYS 17 H CYS 17 -2.586 5.636 -2.415 111 HA CYS 17 HA CYS 17 -0.726 3.570 -1.326 112 HB2 CYS 17 2HB CYS 17 -0.455 4.937 -3.489 113 HB3 CYS 17 3HB CYS 17 -0.307 6.341 -2.491 114 H THR 18 H THR 18 -1.425 3.711 0.953 115 HA THR 18 HA THR 18 -1.365 6.184 2.338 116 HB THR 18 HB THR 18 -2.312 4.048 3.200 117 HG1 THR 18 1HG THR 18 -0.493 5.569 4.741 118 HG21 THR 18 1HG2 THR 18 -0.900 2.418 4.210 119 HG22 THR 18 2HG2 THR 18 -0.221 2.721 2.587 120 HG23 THR 18 3HG2 THR 18 0.551 3.434 4.000 121 H ILE 19 H ILE 19 1.283 4.505 0.871 122 HA ILE 19 HA ILE 19 3.340 5.274 2.713 123 HB ILE 19 HB ILE 19 3.220 4.180 -0.104 124 HG12 ILE 19 2HG1 ILE 19 4.429 2.720 2.226 125 HG13 ILE 19 3HG1 ILE 19 2.672 2.886 2.234 126 HG21 ILE 19 1HG2 ILE 19 5.691 3.708 0.252 127 HG22 ILE 19 2HG2 ILE 19 5.260 5.409 -0.025 128 HG23 ILE 19 3HG2 ILE 19 5.621 4.841 1.621 129 HD11 ILE 19 1HD1 ILE 19 4.244 1.803 -0.121 130 HD12 ILE 19 2HD1 ILE 19 3.411 0.816 1.098 131 HD13 ILE 19 3HD1 ILE 19 2.477 1.899 0.037 132 H CYS 20 H CYS 20 2.255 6.433 -0.572 133 HA CYS 20 HA CYS 20 3.839 8.977 -0.213 134 HB2 CYS 20 2HB CYS 20 3.353 9.289 -2.567 135 HB3 CYS 20 3HB CYS 20 4.254 7.801 -2.260 136 H LEU 21 H LEU 21 0.946 7.854 0.804 137 HA LEU 21 HA LEU 21 -1.072 8.695 1.259 138 HB2 LEU 21 2HB LEU 21 0.633 11.144 1.770 139 HB3 LEU 21 3HB LEU 21 -1.035 10.959 2.330 140 HG LEU 21 HG LEU 21 1.170 8.975 3.050 141 HD11 LEU 21 1HD1 LEU 21 0.158 11.366 4.622 142 HD12 LEU 21 2HD1 LEU 21 1.286 10.116 5.210 143 HD13 LEU 21 3HD1 LEU 21 1.768 11.182 3.878 144 HD21 LEU 21 1HD2 LEU 21 -0.372 8.356 4.869 145 HD22 LEU 21 2HD2 LEU 21 -1.562 9.548 4.300 146 HD23 LEU 21 3HD2 LEU 21 -1.155 8.131 3.308 147 H SER 22 H SER 22 -0.977 8.381 -1.296 148 HA SER 22 HA SER 22 -2.500 10.704 -2.360 149 HB2 SER 22 2HB SER 22 0.078 9.571 -3.365 150 HB3 SER 22 3HB SER 22 -1.171 9.880 -4.590 151 HG SER 22 HG SER 22 -0.251 11.716 -2.620 152 H ILE 23 H ILE 23 -3.999 10.128 -4.038 153 HA ILE 23 HA ILE 23 -5.196 7.533 -3.748 154 HB ILE 23 HB ILE 23 -5.580 10.006 -5.444 155 HG12 ILE 23 2HG1 ILE 23 -6.284 9.905 -2.970 156 HG13 ILE 23 3HG1 ILE 23 -7.496 10.445 -4.134 157 HG21 ILE 23 1HG2 ILE 23 -6.279 8.473 -6.973 158 HG22 ILE 23 2HG2 ILE 23 -7.018 7.382 -5.777 159 HG23 ILE 23 3HG2 ILE 23 -7.780 8.943 -6.193 160 HD11 ILE 23 1HD1 ILE 23 -8.342 8.767 -2.426 161 HD12 ILE 23 2HD1 ILE 23 -8.618 8.330 -4.117 162 HD13 ILE 23 3HD1 ILE 23 -7.316 7.552 -3.224 163 H LEU 24 H LEU 24 -5.366 6.010 -5.331 164 HA LEU 24 HA LEU 24 -3.179 5.710 -7.294 165 HB2 LEU 24 2HB LEU 24 -5.295 3.852 -6.106 166 HB3 LEU 24 3HB LEU 24 -4.003 3.319 -7.176 167 HG LEU 24 HG LEU 24 -3.511 4.646 -4.458 168 HD11 LEU 24 1HD1 LEU 24 -4.643 2.559 -4.162 169 HD12 LEU 24 2HD1 LEU 24 -3.491 1.727 -5.238 170 HD13 LEU 24 3HD1 LEU 24 -2.945 2.420 -3.684 171 HD21 LEU 24 1HD2 LEU 24 -1.625 4.988 -5.815 172 HD22 LEU 24 2HD2 LEU 24 -1.235 3.511 -4.883 173 HD23 LEU 24 3HD2 LEU 24 -1.747 3.387 -6.570 174 H GLU 25 H GLU 25 -4.427 4.026 -9.077 175 HA GLU 25 HA GLU 25 -7.088 5.092 -9.707 176 HB2 GLU 25 2HB GLU 25 -6.634 5.649 -12.013 177 HB3 GLU 25 3HB GLU 25 -5.541 6.576 -10.983 178 HG2 GLU 25 2HG GLU 25 -3.747 4.886 -11.436 179 HG3 GLU 25 3HG GLU 25 -4.829 4.056 -12.557 180 H GLU 26 H GLU 26 -8.171 3.829 -11.455 181 HA GLU 26 HA GLU 26 -7.641 0.987 -11.005 182 HB2 GLU 26 2HB GLU 26 -9.941 1.885 -10.947 183 HB3 GLU 26 3HB GLU 26 -9.823 2.350 -12.650 184 HG2 GLU 26 2HG GLU 26 -9.536 -0.027 -13.295 185 HG3 GLU 26 3HG GLU 26 -9.457 -0.496 -11.598 186 H GLY 27 H GLY 27 -5.522 1.072 -12.013 187 HA2 GLY 27 2HA GLY 27 -5.243 -0.595 -14.031 188 HA3 GLY 27 3HA GLY 27 -5.647 0.828 -14.996 189 H GLU 28 H GLU 28 -3.496 0.587 -12.044 190 HA GLU 28 HA GLU 28 -1.223 1.279 -13.788 191 HB2 GLU 28 2HB GLU 28 -0.472 2.853 -12.143 192 HB3 GLU 28 3HB GLU 28 -2.065 3.333 -12.745 193 HG2 GLU 28 2HG GLU 28 -3.166 2.571 -10.783 194 HG3 GLU 28 3HG GLU 28 -1.770 1.664 -10.240 195 H ASP 29 H ASP 29 0.841 1.187 -12.093 196 HA ASP 29 HA ASP 29 0.984 -1.591 -11.381 197 HB2 ASP 29 2HB ASP 29 2.964 0.604 -10.699 198 HB3 ASP 29 3HB ASP 29 3.265 -1.120 -10.850 199 H VAL 30 H VAL 30 -0.218 -2.235 -9.597 200 HA VAL 30 HA VAL 30 0.350 -0.935 -7.030 201 HB VAL 30 HB VAL 30 -2.116 -1.378 -6.443 202 HG11 VAL 30 1HG1 VAL 30 -1.283 0.877 -8.285 203 HG12 VAL 30 2HG1 VAL 30 -2.839 0.828 -7.438 204 HG13 VAL 30 3HG1 VAL 30 -1.327 0.867 -6.519 205 HG21 VAL 30 1HG2 VAL 30 -3.749 -1.303 -8.214 206 HG22 VAL 30 2HG2 VAL 30 -2.497 -1.175 -9.448 207 HG23 VAL 30 3HG2 VAL 30 -2.668 -2.679 -8.513 208 H ARG 31 H ARG 31 -0.696 -2.484 -5.293 209 HA ARG 31 HA ARG 31 -0.171 -5.267 -5.934 210 HB2 ARG 31 2HB ARG 31 1.640 -3.367 -4.469 211 HB3 ARG 31 3HB ARG 31 1.424 -4.926 -3.670 212 HG2 ARG 31 2HG ARG 31 2.213 -4.721 -6.584 213 HG3 ARG 31 3HG ARG 31 3.406 -4.720 -5.269 214 HD2 ARG 31 2HD ARG 31 2.624 -6.892 -4.490 215 HD3 ARG 31 3HD ARG 31 1.323 -6.895 -5.702 216 HE ARG 31 HE ARG 31 3.837 -6.546 -6.987 217 HH11 ARG 31 1HH1 ARG 31 4.185 -9.925 -7.926 218 HH12 ARG 31 2HH1 ARG 31 4.688 -8.306 -8.239 219 HH21 ARG 31 1HH2 ARG 31 2.582 -10.349 -6.218 220 HH22 ARG 31 2HH2 ARG 31 1.984 -9.018 -5.293 221 H ARG 32 H ARG 32 -0.489 -6.554 -3.786 222 HA ARG 32 HA ARG 32 -2.597 -5.282 -2.140 223 HB2 ARG 32 2HB ARG 32 -3.731 -6.758 -3.699 224 HB3 ARG 32 3HB ARG 32 -2.492 -8.002 -3.516 225 HG2 ARG 32 2HG ARG 32 -4.468 -8.721 -2.360 226 HG3 ARG 32 3HG ARG 32 -3.210 -8.422 -1.186 227 HD2 ARG 32 2HD ARG 32 -4.997 -7.365 -0.143 228 HD3 ARG 32 3HD ARG 32 -4.302 -6.012 -1.006 229 HE ARG 32 HE ARG 32 -6.141 -5.838 -2.306 230 HH11 ARG 32 1HH1 ARG 32 -8.905 -7.984 -2.799 231 HH12 ARG 32 2HH1 ARG 32 -8.226 -6.442 -3.160 232 HH21 ARG 32 1HH2 ARG 32 -7.693 -9.516 -1.435 233 HH22 ARG 32 2HH2 ARG 32 -6.161 -9.028 -0.803 234 H LEU 33 H LEU 33 -2.582 -5.947 0.038 235 HA LEU 33 HA LEU 33 -0.449 -7.743 0.954 236 HB2 LEU 33 2HB LEU 33 -0.581 -5.981 2.975 237 HB3 LEU 33 3HB LEU 33 0.575 -5.808 1.668 238 HG LEU 33 HG LEU 33 -2.139 -4.442 1.531 239 HD11 LEU 33 1HD1 LEU 33 -1.109 -2.517 2.671 240 HD12 LEU 33 2HD1 LEU 33 -1.110 -3.921 3.738 241 HD13 LEU 33 3HD1 LEU 33 0.388 -3.434 2.918 242 HD21 LEU 33 1HD2 LEU 33 -0.835 -4.188 -0.531 243 HD22 LEU 33 2HD2 LEU 33 -0.741 -2.685 0.354 244 HD23 LEU 33 3HD2 LEU 33 0.630 -3.815 0.397 245 HA PRO 34 HA PRO 34 -3.546 -9.889 2.887 246 HB2 PRO 34 2HB PRO 34 -2.686 -10.435 5.470 247 HB3 PRO 34 3HB PRO 34 -2.069 -11.226 3.989 248 HG2 PRO 34 2HG PRO 34 -0.845 -8.960 5.555 249 HG3 PRO 34 3HG PRO 34 -0.042 -10.364 4.780 250 HD2 PRO 34 2HD PRO 34 -0.141 -7.843 3.705 251 HD3 PRO 34 3HD PRO 34 -0.018 -9.276 2.694 252 H CYS 35 H CYS 35 -2.525 -7.053 4.644 253 HA CYS 35 HA CYS 35 -4.917 -6.516 6.254 254 HB2 CYS 35 2HB CYS 35 -2.554 -5.748 6.627 255 HB3 CYS 35 3HB CYS 35 -2.714 -4.780 5.151 256 H MET 36 H MET 36 -5.322 -7.139 3.194 257 HA MET 36 HA MET 36 -6.637 -6.373 1.510 258 HB2 MET 36 2HB MET 36 -8.203 -5.477 3.960 259 HB3 MET 36 3HB MET 36 -8.861 -5.590 2.329 260 HG2 MET 36 2HG MET 36 -7.601 -8.069 2.695 261 HG3 MET 36 3HG MET 36 -8.300 -7.719 4.271 262 HE1 MET 36 1HE MET 36 -9.682 -6.727 0.617 263 HE2 MET 36 2HE MET 36 -8.882 -8.310 0.481 264 HE3 MET 36 3HE MET 36 -10.646 -8.180 0.292 265 H HIS 37 H HIS 37 -4.528 -4.653 1.765 266 HA HIS 37 HA HIS 37 -5.777 -1.995 1.263 267 HB2 HIS 37 1HB HIS 37 -3.436 -2.813 2.916 268 HB3 HIS 37 2HB HIS 37 -3.117 -1.481 1.813 269 HD2 HIS 37 2HD HIS 37 -5.586 0.321 1.947 270 HE1 HIS 37 1HE HIS 37 -5.029 0.428 6.169 271 HE2 HIS 37 2HE HIS 37 -6.133 1.585 4.164 272 H LEU 38 H LEU 38 -4.909 -0.820 -0.530 273 HA LEU 38 HA LEU 38 -3.538 -2.508 -2.556 274 HB2 LEU 38 2HB LEU 38 -5.990 -1.970 -3.006 275 HB3 LEU 38 3HB LEU 38 -5.575 -0.260 -2.913 276 HG LEU 38 HG LEU 38 -3.836 -0.774 -4.795 277 HD11 LEU 38 1HD1 LEU 38 -4.443 -2.680 -6.237 278 HD12 LEU 38 2HD1 LEU 38 -4.002 -3.264 -4.626 279 HD13 LEU 38 3HD1 LEU 38 -5.713 -3.166 -5.100 280 HD21 LEU 38 1HD2 LEU 38 -5.587 -0.516 -6.537 281 HD22 LEU 38 2HD2 LEU 38 -6.836 -0.913 -5.338 282 HD23 LEU 38 3HD2 LEU 38 -5.862 0.557 -5.167 283 H PHE 39 H PHE 39 -1.488 -1.698 -2.811 284 HA PHE 39 HA PHE 39 -1.008 1.234 -2.356 285 HB2 PHE 39 2HB PHE 39 0.684 -1.197 -1.668 286 HB3 PHE 39 3HB PHE 39 1.324 0.427 -1.664 287 HD1 PHE 39 1HD PHE 39 -1.832 1.065 -0.282 288 HD2 PHE 39 2HD PHE 39 1.838 -0.993 0.622 289 HE1 PHE 39 1HE PHE 39 -2.410 1.083 2.097 290 HE2 PHE 39 2HE PHE 39 1.306 -0.879 3.036 291 HZ PHE 39 HZ PHE 39 -0.851 0.109 3.777 292 H HIS 40 H HIS 40 0.979 1.999 -3.613 293 HA HIS 40 HA HIS 40 0.980 1.101 -6.382 294 HB2 HIS 40 1HB HIS 40 2.760 2.813 -4.663 295 HB3 HIS 40 2HB HIS 40 3.312 2.344 -6.263 296 HD2 HIS 40 2HD HIS 40 0.878 2.836 -8.113 297 HE1 HIS 40 1HE HIS 40 0.925 6.807 -6.581 298 HE2 HIS 40 2HE HIS 40 0.085 5.228 -8.489 299 H GLN 41 H GLN 41 2.710 -0.031 -7.468 300 HA GLN 41 HA GLN 41 3.963 -2.196 -6.097 301 HB2 GLN 41 2HB GLN 41 4.204 -0.914 -8.818 302 HB3 GLN 41 3HB GLN 41 5.484 -2.004 -8.283 303 HG2 GLN 41 2HG GLN 41 3.819 -3.742 -7.736 304 HG3 GLN 41 3HG GLN 41 2.527 -2.689 -8.347 305 HE21 GLN 41 1HE2 GLN 41 1.850 -4.016 -10.094 306 HE22 GLN 41 2HE2 GLN 41 2.941 -4.309 -11.453 307 H VAL 42 H VAL 42 5.630 0.690 -7.545 308 HA VAL 42 HA VAL 42 8.062 0.015 -6.332 309 HB VAL 42 HB VAL 42 7.120 2.789 -7.172 310 HG11 VAL 42 1HG1 VAL 42 9.179 2.913 -5.806 311 HG12 VAL 42 2HG1 VAL 42 9.924 1.633 -6.784 312 HG13 VAL 42 3HG1 VAL 42 9.560 3.216 -7.506 313 HG21 VAL 42 1HG2 VAL 42 6.934 1.181 -9.037 314 HG22 VAL 42 2HG2 VAL 42 8.334 2.222 -9.293 315 HG23 VAL 42 3HG2 VAL 42 8.566 0.568 -8.694 316 H CYS 43 H CYS 43 5.538 2.278 -5.071 317 HA CYS 43 HA CYS 43 6.909 3.066 -2.693 318 HB2 CYS 43 2HB CYS 43 3.939 2.551 -2.906 319 HB3 CYS 43 3HB CYS 43 4.787 3.628 -1.821 320 H VAL 44 H VAL 44 4.724 0.108 -3.209 321 HA VAL 44 HA VAL 44 5.173 -0.565 -0.491 322 HB VAL 44 HB VAL 44 3.124 -1.130 -1.842 323 HG11 VAL 44 1HG1 VAL 44 4.208 -2.307 -3.737 324 HG12 VAL 44 2HG1 VAL 44 4.866 -3.511 -2.612 325 HG13 VAL 44 3HG1 VAL 44 3.113 -3.371 -2.827 326 HG21 VAL 44 1HG2 VAL 44 4.425 -3.396 -0.306 327 HG22 VAL 44 2HG2 VAL 44 3.778 -1.943 0.464 328 HG23 VAL 44 3HG2 VAL 44 2.694 -3.029 -0.448 329 H ASP 45 H ASP 45 7.010 -1.137 -3.368 330 HA ASP 45 HA ASP 45 8.422 -3.484 -2.511 331 HB2 ASP 45 2HB ASP 45 8.426 -2.387 -4.824 332 HB3 ASP 45 3HB ASP 45 9.557 -1.196 -4.177 333 H GLN 46 H GLN 46 9.304 0.011 -2.330 334 HA GLN 46 HA GLN 46 11.370 -0.498 -0.396 335 HB2 GLN 46 2HB GLN 46 9.882 2.092 -1.040 336 HB3 GLN 46 3HB GLN 46 11.310 1.969 0.003 337 HG2 GLN 46 2HG GLN 46 12.539 0.902 -1.959 338 HG3 GLN 46 3HG GLN 46 11.153 1.329 -2.973 339 HE21 GLN 46 1HE2 GLN 46 13.528 2.811 -0.646 340 HE22 GLN 46 2HE2 GLN 46 13.578 4.339 -1.516 341 H ALA 47 H ALA 47 7.910 -0.083 0.027 342 HA ALA 47 HA ALA 47 8.015 0.465 2.837 343 HB1 ALA 47 1HB ALA 47 5.934 -1.165 1.344 344 HB2 ALA 47 2HB ALA 47 5.721 -0.294 2.874 345 HB3 ALA 47 3HB ALA 47 5.992 0.618 1.367 346 H LEU 48 H LEU 48 7.512 -2.633 1.125 347 HA LEU 48 HA LEU 48 7.568 -4.454 3.195 348 HB2 LEU 48 2HB LEU 48 6.952 -4.923 0.836 349 HB3 LEU 48 3HB LEU 48 8.612 -4.647 0.340 350 HG LEU 48 HG LEU 48 9.100 -6.640 2.094 351 HD11 LEU 48 1HD1 LEU 48 6.301 -7.258 1.040 352 HD12 LEU 48 2HD1 LEU 48 7.333 -8.324 2.017 353 HD13 LEU 48 3HD1 LEU 48 6.671 -6.839 2.722 354 HD21 LEU 48 1HD2 LEU 48 9.023 -8.181 0.183 355 HD22 LEU 48 2HD2 LEU 48 8.043 -7.012 -0.733 356 HD23 LEU 48 3HD2 LEU 48 9.715 -6.616 -0.280 357 H ILE 49 H ILE 49 10.397 -3.439 1.162 358 HA ILE 49 HA ILE 49 12.227 -5.004 2.665 359 HB ILE 49 HB ILE 49 13.986 -3.870 1.523 360 HG12 ILE 49 2HG1 ILE 49 13.081 -1.902 -0.102 361 HG13 ILE 49 3HG1 ILE 49 12.097 -1.634 1.345 362 HG21 ILE 49 1HG2 ILE 49 13.397 -4.265 -0.754 363 HG22 ILE 49 2HG2 ILE 49 12.519 -5.440 0.240 364 HG23 ILE 49 3HG2 ILE 49 11.679 -4.036 -0.440 365 HD11 ILE 49 1HD1 ILE 49 15.108 -1.569 1.079 366 HD12 ILE 49 2HD1 ILE 49 14.015 -0.301 1.674 367 HD13 ILE 49 3HD1 ILE 49 14.333 -1.734 2.666 368 H THR 50 H THR 50 10.999 -1.691 3.236 369 HA THR 50 HA THR 50 12.997 -1.077 5.208 370 HB THR 50 HB THR 50 10.274 0.099 4.543 371 HG1 THR 50 1HG THR 50 11.789 0.612 3.095 372 HG21 THR 50 1HG2 THR 50 10.928 2.027 5.970 373 HG22 THR 50 2HG2 THR 50 10.581 0.573 6.915 374 HG23 THR 50 3HG2 THR 50 12.271 1.064 6.628 375 H ASN 51 H ASN 51 9.679 -2.472 5.320 376 HA ASN 51 HA ASN 51 10.281 -4.006 7.611 377 HB2 ASN 51 2HB ASN 51 9.402 -1.373 8.262 378 HB3 ASN 51 3HB ASN 51 7.952 -2.360 8.396 379 HD21 ASN 51 1HD2 ASN 51 11.438 -2.402 9.243 380 HD22 ASN 51 2HD2 ASN 51 11.208 -3.147 10.826 381 H LYS 52 H LYS 52 8.929 -5.814 7.417 382 HA LYS 52 HA LYS 52 6.728 -5.651 5.441 383 HB2 LYS 52 2HB LYS 52 7.799 -7.981 7.105 384 HB3 LYS 52 3HB LYS 52 6.486 -8.063 5.931 385 HG2 LYS 52 2HG LYS 52 8.083 -8.645 4.485 386 HG3 LYS 52 3HG LYS 52 8.286 -6.910 4.328 387 HD2 LYS 52 2HD LYS 52 10.416 -8.060 4.477 388 HD3 LYS 52 3HD LYS 52 10.225 -6.979 5.866 389 HE2 LYS 52 2HE LYS 52 10.021 -8.742 7.379 390 HE3 LYS 52 3HE LYS 52 9.219 -9.780 6.189 391 HZ1 LYS 52 1HZ LYS 52 11.218 -10.239 5.147 392 HZ2 LYS 52 2HZ LYS 52 12.115 -9.230 6.132 393 HZ3 LYS 52 3HZ LYS 52 11.365 -10.618 6.685 394 H LYS 53 H LYS 53 5.907 -3.852 7.161 395 HA LYS 53 HA LYS 53 3.607 -5.302 8.209 396 HB2 LYS 53 2HB LYS 53 4.970 -3.165 9.906 397 HB3 LYS 53 3HB LYS 53 3.417 -3.952 10.233 398 HG2 LYS 53 2HG LYS 53 4.767 -6.185 10.189 399 HG3 LYS 53 3HG LYS 53 6.198 -5.146 10.333 400 HD2 LYS 53 2HD LYS 53 4.861 -4.104 12.369 401 HD3 LYS 53 3HD LYS 53 3.914 -5.609 12.259 402 HE2 LYS 53 2HE LYS 53 6.211 -6.822 12.231 403 HE3 LYS 53 3HE LYS 53 6.908 -5.268 12.713 404 HZ1 LYS 53 1HZ LYS 53 5.390 -5.340 14.642 405 HZ2 LYS 53 2HZ LYS 53 4.916 -6.856 14.202 406 HZ3 LYS 53 3HZ LYS 53 6.476 -6.579 14.635 407 H CYS 54 H CYS 54 1.767 -4.241 7.682 408 HA CYS 54 HA CYS 54 1.751 -1.972 5.830 409 HB2 CYS 54 2HB CYS 54 0.034 -3.732 5.859 410 HB3 CYS 54 3HB CYS 54 -0.365 -3.335 7.538 411 HA PRO 55 HA PRO 55 2.423 0.914 9.119 412 HB2 PRO 55 2HB PRO 55 1.632 3.303 7.959 413 HB3 PRO 55 3HB PRO 55 3.154 2.438 7.593 414 HG2 PRO 55 2HG PRO 55 0.546 2.341 6.073 415 HG3 PRO 55 3HG PRO 55 2.207 2.536 5.421 416 HD2 PRO 55 2HD PRO 55 0.957 0.131 5.418 417 HD3 PRO 55 3HD PRO 55 2.706 0.251 5.778 418 H ILE 56 H ILE 56 -0.739 1.865 7.568 419 HA ILE 56 HA ILE 56 -1.654 2.692 10.231 420 HB ILE 56 HB ILE 56 -1.856 4.217 8.384 421 HG12 ILE 56 2HG1 ILE 56 -4.698 3.466 9.107 422 HG13 ILE 56 3HG1 ILE 56 -3.556 4.007 10.343 423 HG21 ILE 56 1HG2 ILE 56 -3.855 2.318 7.091 424 HG22 ILE 56 2HG2 ILE 56 -3.423 3.938 6.533 425 HG23 ILE 56 3HG2 ILE 56 -2.221 2.656 6.485 426 HD11 ILE 56 1HD1 ILE 56 -4.890 5.880 9.498 427 HD12 ILE 56 2HD1 ILE 56 -3.174 6.107 9.112 428 HD13 ILE 56 3HD1 ILE 56 -4.313 5.585 7.848 429 H CYS 57 H CYS 57 -1.360 0.214 10.539 430 HA CYS 57 HA CYS 57 -3.850 -1.120 11.104 431 HB2 CYS 57 2HB CYS 57 -3.254 -2.998 9.366 432 HB3 CYS 57 3HB CYS 57 -4.376 -1.691 8.996 433 H ARG 58 H ARG 58 -0.415 -1.529 10.151 434 HA ARG 58 HA ARG 58 1.343 -2.284 11.309 435 HB2 ARG 58 2HB ARG 58 0.021 -0.912 13.102 436 HB3 ARG 58 3HB ARG 58 -0.274 -2.483 13.860 437 HG2 ARG 58 2HG ARG 58 2.186 -2.859 14.000 438 HG3 ARG 58 3HG ARG 58 2.454 -1.339 13.119 439 HD2 ARG 58 2HD ARG 58 1.037 -0.242 15.012 440 HD3 ARG 58 3HD ARG 58 1.353 -1.710 15.929 441 HE ARG 58 HE ARG 58 3.206 0.419 15.100 442 HH11 ARG 58 1HH1 ARG 58 5.891 -0.826 16.993 443 HH12 ARG 58 2HH1 ARG 58 5.305 0.487 16.044 444 HH21 ARG 58 1HH2 ARG 58 4.490 -2.715 17.363 445 HH22 ARG 58 2HH2 ARG 58 2.935 -2.762 16.601 446 H VAL 59 H VAL 59 -0.178 -4.166 9.894 447 HA VAL 59 HA VAL 59 0.047 -6.652 11.534 448 HB VAL 59 HB VAL 59 -1.512 -6.133 8.967 449 HG11 VAL 59 1HG1 VAL 59 -1.515 -8.519 10.870 450 HG12 VAL 59 2HG1 VAL 59 -2.630 -8.288 9.507 451 HG13 VAL 59 3HG1 VAL 59 -0.910 -8.503 9.195 452 HG21 VAL 59 1HG2 VAL 59 -2.487 -6.334 11.852 453 HG22 VAL 59 2HG2 VAL 59 -2.539 -4.889 10.826 454 HG23 VAL 59 3HG2 VAL 59 -3.535 -6.282 10.417 455 H ASP 60 H ASP 60 1.205 -8.401 10.612 456 HA ASP 60 HA ASP 60 3.503 -7.682 9.035 457 HB2 ASP 60 2HB ASP 60 3.334 -9.467 10.835 458 HB3 ASP 60 3HB ASP 60 2.447 -10.455 9.667 459 H ILE 61 H ILE 61 3.884 -8.083 6.878 460 HA ILE 61 HA ILE 61 1.603 -9.123 5.271 461 HB ILE 61 HB ILE 61 2.234 -7.639 3.512 462 HG12 ILE 61 2HG1 ILE 61 4.264 -6.374 5.396 463 HG13 ILE 61 3HG1 ILE 61 4.709 -7.519 4.116 464 HG21 ILE 61 1HG2 ILE 61 2.066 -5.958 6.025 465 HG22 ILE 61 2HG2 ILE 61 1.319 -5.645 4.434 466 HG23 ILE 61 3HG2 ILE 61 0.696 -6.940 5.472 467 HD11 ILE 61 1HD1 ILE 61 3.318 -4.860 3.746 468 HD12 ILE 61 2HD1 ILE 61 4.973 -5.309 3.261 469 HD13 ILE 61 3HD1 ILE 61 3.570 -6.091 2.470 470 H GLU 62 H GLU 62 4.851 -9.595 6.081 471 HA GLU 62 HA GLU 62 6.048 -10.763 3.822 472 HB2 GLU 62 2HB GLU 62 7.092 -10.400 6.118 473 HB3 GLU 62 3HB GLU 62 6.156 -11.774 6.699 474 HG2 GLU 62 2HG GLU 62 8.258 -12.673 6.286 475 HG3 GLU 62 3HG GLU 62 7.340 -13.176 4.872 476 H ALA 63 H ALA 63 3.808 -12.156 6.174 477 HA ALA 63 HA ALA 63 2.605 -14.120 6.241 478 HB1 ALA 63 1HB ALA 63 2.229 -13.350 3.332 479 HB2 ALA 63 2HB ALA 63 1.145 -14.377 4.299 480 HB3 ALA 63 3HB ALA 63 1.347 -12.656 4.715 481 H GLN 64 H GLN 64 5.093 -14.894 6.243 482 HA GLN 64 HA GLN 64 5.069 -17.381 4.667 483 HB2 GLN 64 2HB GLN 64 6.536 -15.431 3.638 484 HB3 GLN 64 3HB GLN 64 7.654 -15.814 4.940 485 HG2 GLN 64 2HG GLN 64 6.843 -18.292 3.655 486 HG3 GLN 64 3HG GLN 64 7.235 -17.129 2.394 487 HE21 GLN 64 1HE2 GLN 64 9.432 -17.044 1.820 488 HE22 GLN 64 2HE2 GLN 64 10.708 -17.575 2.907 489 H LEU 65 H LEU 65 7.425 -18.554 5.728 490 HA LEU 65 HA LEU 65 7.187 -18.237 8.639 491 HB2 LEU 65 2HB LEU 65 5.472 -19.910 7.717 492 HB3 LEU 65 3HB LEU 65 6.831 -20.984 7.397 493 HG LEU 65 HG LEU 65 6.212 -19.722 10.115 494 HD11 LEU 65 1HD1 LEU 65 5.487 -22.488 9.066 495 HD12 LEU 65 2HD1 LEU 65 5.224 -21.894 10.722 496 HD13 LEU 65 3HD1 LEU 65 4.353 -21.154 9.372 497 HD21 LEU 65 1HD2 LEU 65 8.541 -20.491 9.994 498 HD22 LEU 65 2HD2 LEU 65 7.609 -21.595 11.002 499 HD23 LEU 65 3HD2 LEU 65 8.020 -22.055 9.334 500 HA PRO 66 HA PRO 66 11.337 -18.578 6.815 501 HB2 PRO 66 2HB PRO 66 12.685 -17.008 8.656 502 HB3 PRO 66 3HB PRO 66 11.734 -16.359 7.283 503 HG2 PRO 66 2HG PRO 66 10.886 -16.718 10.168 504 HG3 PRO 66 3HG PRO 66 10.651 -15.284 9.113 505 HD2 PRO 66 2HD PRO 66 8.685 -17.107 9.528 506 HD3 PRO 66 3HD PRO 66 8.904 -16.349 7.917 507 H SER 67 H SER 67 13.350 -19.537 7.467 508 HA SER 67 HA SER 67 12.937 -21.761 9.294 509 HB2 SER 67 2HB SER 67 14.196 -21.850 7.100 510 HB3 SER 67 3HB SER 67 15.488 -20.903 7.865 511 HG SER 67 HG SER 67 15.979 -23.067 8.071 512 H GLU 68 H GLU 68 14.993 -18.787 9.261 513 HA GLU 68 HA GLU 68 15.178 -18.886 12.169 514 HB2 GLU 68 2HB GLU 68 17.046 -20.437 11.339 515 HB3 GLU 68 3HB GLU 68 17.779 -19.020 10.575 516 HG2 GLU 68 2HG GLU 68 17.684 -17.891 12.881 517 HG3 GLU 68 3HG GLU 68 17.202 -19.458 13.537 518 H SER 69 H SER 69 16.771 -17.561 9.232 519 HA SER 69 HA SER 69 15.580 -14.951 9.846 520 HB2 SER 69 2HB SER 69 17.481 -13.787 8.996 521 HB3 SER 69 3HB SER 69 18.128 -14.939 10.184 522 HG SER 69 HG SER 69 17.963 -15.281 7.381 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -2.940 22.652 -9.158 2 H2 MET 1 H2 MET 1 -1.419 22.059 -9.366 3 H3 MET 1 H3 MET 1 -2.728 21.130 -9.748 4 HA MET 1 HA MET 1 -1.809 20.372 -7.697 5 HB2 MET 1 2HB MET 1 -1.628 21.863 -5.779 6 HB3 MET 1 3HB MET 1 -0.689 22.467 -7.143 7 HG2 MET 1 2HG MET 1 -3.109 23.758 -7.528 8 HG3 MET 1 3HG MET 1 -3.032 23.669 -5.776 9 HE1 MET 1 1HE MET 1 -1.343 24.808 -4.295 10 HE2 MET 1 2HE MET 1 0.066 24.034 -5.062 11 HE3 MET 1 3HE MET 1 0.027 25.799 -4.844 12 H LYS 2 H LYS 2 -3.903 19.298 -8.461 13 HA LYS 2 HA LYS 2 -6.212 19.001 -8.455 14 HB2 LYS 2 2HB LYS 2 -5.000 17.558 -6.854 15 HB3 LYS 2 3HB LYS 2 -5.263 18.742 -5.586 16 HG2 LYS 2 2HG LYS 2 -6.746 16.911 -5.288 17 HG3 LYS 2 3HG LYS 2 -7.723 18.306 -5.678 18 HD2 LYS 2 2HD LYS 2 -6.926 16.422 -7.906 19 HD3 LYS 2 3HD LYS 2 -8.147 15.912 -6.730 20 HE2 LYS 2 2HE LYS 2 -9.467 17.968 -7.176 21 HE3 LYS 2 3HE LYS 2 -8.318 18.408 -8.455 22 HZ1 LYS 2 1HZ LYS 2 -8.915 16.291 -9.541 23 HZ2 LYS 2 2HZ LYS 2 -10.020 15.999 -8.350 24 HZ3 LYS 2 3HZ LYS 2 -10.228 17.272 -9.348 25 H GLN 3 H GLN 3 -6.811 21.352 -8.984 26 HA GLN 3 HA GLN 3 -7.417 23.219 -6.975 27 HB2 GLN 3 2HB GLN 3 -8.774 22.830 -9.687 28 HB3 GLN 3 3HB GLN 3 -9.006 24.216 -8.615 29 HG2 GLN 3 2HG GLN 3 -6.415 24.472 -8.703 30 HG3 GLN 3 3HG GLN 3 -6.500 23.420 -10.126 31 HE21 GLN 3 1HE2 GLN 3 -6.932 24.506 -12.147 32 HE22 GLN 3 2HE2 GLN 3 -7.562 26.145 -12.161 33 H ASP 4 H ASP 4 -9.535 20.761 -8.443 34 HA ASP 4 HA ASP 4 -11.418 19.750 -7.720 35 HB2 ASP 4 2HB ASP 4 -9.888 19.436 -5.654 36 HB3 ASP 4 3HB ASP 4 -10.902 20.658 -4.878 37 H GLY 5 H GLY 5 -13.001 21.088 -5.284 38 HA2 GLY 5 2HA GLY 5 -13.993 23.450 -6.847 39 HA3 GLY 5 3HA GLY 5 -15.082 22.305 -6.041 40 H GLU 6 H GLU 6 -14.988 22.149 -3.703 41 HA GLU 6 HA GLU 6 -13.328 24.087 -2.252 42 HB2 GLU 6 2HB GLU 6 -16.366 24.084 -2.168 43 HB3 GLU 6 3HB GLU 6 -15.406 24.519 -0.744 44 HG2 GLU 6 2HG GLU 6 -14.227 26.264 -2.059 45 HG3 GLU 6 3HG GLU 6 -15.237 25.881 -3.463 46 H GLU 7 H GLU 7 -16.155 22.085 -1.212 47 HA GLU 7 HA GLU 7 -14.301 19.953 -0.407 48 HB2 GLU 7 2HB GLU 7 -14.449 21.680 1.475 49 HB3 GLU 7 3HB GLU 7 -16.149 21.234 1.651 50 HG2 GLU 7 2HG GLU 7 -15.416 18.836 1.980 51 HG3 GLU 7 3HG GLU 7 -13.736 19.369 1.855 52 H GLY 8 H GLY 8 -15.361 18.601 -1.910 53 HA2 GLY 8 2HA GLY 8 -17.234 16.862 -1.306 54 HA3 GLY 8 3HA GLY 8 -18.299 18.243 -1.604 55 H THR 9 H THR 9 -16.198 15.818 -3.111 56 HA THR 9 HA THR 9 -17.387 16.458 -5.711 57 HB THR 9 HB THR 9 -15.037 16.066 -6.679 58 HG1 THR 9 1HG THR 9 -13.459 17.038 -5.088 59 HG21 THR 9 1HG2 THR 9 -16.280 18.264 -6.648 60 HG22 THR 9 2HG2 THR 9 -15.426 18.660 -5.140 61 HG23 THR 9 3HG2 THR 9 -14.514 18.415 -6.640 62 H GLU 10 H GLU 10 -16.953 14.552 -7.235 63 HA GLU 10 HA GLU 10 -16.748 11.985 -5.746 64 HB2 GLU 10 2HB GLU 10 -18.980 12.949 -7.579 65 HB3 GLU 10 3HB GLU 10 -18.687 11.235 -7.233 66 HG2 GLU 10 2HG GLU 10 -19.001 11.617 -4.833 67 HG3 GLU 10 3HG GLU 10 -19.275 13.343 -5.116 68 H GLU 11 H GLU 11 -14.538 12.285 -6.709 69 HA GLU 11 HA GLU 11 -14.380 10.759 -9.157 70 HB2 GLU 11 2HB GLU 11 -14.031 13.684 -9.200 71 HB3 GLU 11 3HB GLU 11 -12.506 12.889 -9.582 72 HG2 GLU 11 2HG GLU 11 -15.130 12.210 -10.975 73 HG3 GLU 11 3HG GLU 11 -13.982 13.417 -11.558 74 H ASP 12 H ASP 12 -12.654 9.431 -8.828 75 HA ASP 12 HA ASP 12 -12.348 8.271 -6.722 76 HB2 ASP 12 2HB ASP 12 -10.785 7.739 -8.506 77 HB3 ASP 12 3HB ASP 12 -9.666 8.971 -7.906 78 H THR 13 H THR 13 -12.704 8.883 -4.760 79 HA THR 13 HA THR 13 -10.707 10.649 -3.424 80 HB THR 13 HB THR 13 -13.591 10.730 -2.588 81 HG1 THR 13 1HG THR 13 -12.559 11.823 -4.973 82 HG21 THR 13 1HG2 THR 13 -11.891 12.018 -1.341 83 HG22 THR 13 2HG2 THR 13 -11.379 12.824 -2.846 84 HG23 THR 13 3HG2 THR 13 -13.005 13.110 -2.188 85 H GLU 14 H GLU 14 -11.094 7.618 -3.584 86 HA GLU 14 HA GLU 14 -11.413 7.111 -0.647 87 HB2 GLU 14 2HB GLU 14 -12.804 5.879 -3.012 88 HB3 GLU 14 3HB GLU 14 -12.340 4.805 -1.699 89 HG2 GLU 14 2HG GLU 14 -13.921 7.351 -1.187 90 HG3 GLU 14 3HG GLU 14 -14.692 5.823 -1.618 91 H GLU 15 H GLU 15 -10.053 5.873 -3.827 92 HA GLU 15 HA GLU 15 -8.640 3.855 -2.280 93 HB2 GLU 15 2HB GLU 15 -8.580 4.531 -5.243 94 HB3 GLU 15 3HB GLU 15 -7.768 3.160 -4.463 95 HG2 GLU 15 2HG GLU 15 -10.076 2.576 -3.451 96 HG3 GLU 15 3HG GLU 15 -10.757 3.698 -4.631 97 H LYS 16 H LYS 16 -7.381 5.005 -0.847 98 HA LYS 16 HA LYS 16 -5.134 6.555 -2.031 99 HB2 LYS 16 2HB LYS 16 -6.488 6.621 0.684 100 HB3 LYS 16 3HB LYS 16 -4.803 7.098 0.534 101 HG2 LYS 16 2HG LYS 16 -5.717 8.577 -1.478 102 HG3 LYS 16 3HG LYS 16 -7.234 8.473 -0.572 103 HD2 LYS 16 2HD LYS 16 -6.179 9.513 1.371 104 HD3 LYS 16 3HD LYS 16 -4.568 9.289 0.672 105 HE2 LYS 16 2HE LYS 16 -5.028 11.561 0.319 106 HE3 LYS 16 3HE LYS 16 -5.231 10.766 -1.249 107 HZ1 LYS 16 1HZ LYS 16 -7.017 12.294 -0.829 108 HZ2 LYS 16 2HZ LYS 16 -7.619 10.763 -0.859 109 HZ3 LYS 16 3HZ LYS 16 -7.420 11.540 0.577 110 H CYS 17 H CYS 17 -3.175 6.075 -1.808 111 HA CYS 17 HA CYS 17 -1.967 3.535 -0.844 112 HB2 CYS 17 2HB CYS 17 -1.304 4.930 -2.853 113 HB3 CYS 17 3HB CYS 17 -0.968 6.251 -1.758 114 H THR 18 H THR 18 -1.701 3.293 1.398 115 HA THR 18 HA THR 18 -1.832 5.575 3.137 116 HB THR 18 HB THR 18 -2.107 2.880 3.464 117 HG1 THR 18 1HG THR 18 -2.919 4.670 4.734 118 HG21 THR 18 1HG2 THR 18 -0.529 2.093 5.131 119 HG22 THR 18 2HG2 THR 18 0.385 2.546 3.673 120 HG23 THR 18 3HG2 THR 18 0.363 3.615 5.093 121 H ILE 19 H ILE 19 0.834 4.330 1.241 122 HA ILE 19 HA ILE 19 2.877 5.210 3.092 123 HB ILE 19 HB ILE 19 2.772 4.027 0.318 124 HG12 ILE 19 2HG1 ILE 19 4.196 2.853 2.706 125 HG13 ILE 19 3HG1 ILE 19 2.432 2.791 2.681 126 HG21 ILE 19 1HG2 ILE 19 5.303 3.787 0.579 127 HG22 ILE 19 2HG2 ILE 19 4.705 5.410 0.195 128 HG23 ILE 19 3HG2 ILE 19 5.191 5.009 1.862 129 HD11 ILE 19 1HD1 ILE 19 4.178 1.766 0.424 130 HD12 ILE 19 2HD1 ILE 19 3.432 0.773 1.692 131 HD13 ILE 19 3HD1 ILE 19 2.410 1.669 0.542 132 H CYS 20 H CYS 20 1.759 6.290 -0.199 133 HA CYS 20 HA CYS 20 3.276 8.874 0.140 134 HB2 CYS 20 2HB CYS 20 2.617 9.259 -2.157 135 HB3 CYS 20 3HB CYS 20 3.564 7.775 -1.982 136 H LEU 21 H LEU 21 0.317 7.626 1.138 137 HA LEU 21 HA LEU 21 -1.612 8.515 1.809 138 HB2 LEU 21 2HB LEU 21 0.251 10.843 2.323 139 HB3 LEU 21 3HB LEU 21 -1.364 10.689 3.023 140 HG LEU 21 HG LEU 21 0.781 8.552 3.385 141 HD11 LEU 21 1HD1 LEU 21 1.599 10.657 4.307 142 HD12 LEU 21 2HD1 LEU 21 0.083 10.866 5.221 143 HD13 LEU 21 3HD1 LEU 21 1.184 9.514 5.594 144 HD21 LEU 21 1HD2 LEU 21 -0.629 7.902 5.312 145 HD22 LEU 21 2HD2 LEU 21 -1.796 9.181 4.907 146 HD23 LEU 21 3HD2 LEU 21 -1.544 7.801 3.813 147 H SER 22 H SER 22 -1.301 8.630 -1.005 148 HA SER 22 HA SER 22 -2.989 10.996 -1.624 149 HB2 SER 22 2HB SER 22 -0.539 11.260 -2.308 150 HB3 SER 22 3HB SER 22 -0.832 9.952 -3.477 151 HG SER 22 HG SER 22 -1.226 12.007 -4.385 152 H ILE 23 H ILE 23 -4.093 10.636 -3.839 153 HA ILE 23 HA ILE 23 -5.509 8.109 -3.700 154 HB ILE 23 HB ILE 23 -5.645 10.654 -5.351 155 HG12 ILE 23 2HG1 ILE 23 -6.452 10.673 -2.949 156 HG13 ILE 23 3HG1 ILE 23 -7.614 11.171 -4.161 157 HG21 ILE 23 1HG2 ILE 23 -7.285 8.140 -5.664 158 HG22 ILE 23 2HG2 ILE 23 -7.848 9.751 -6.194 159 HG23 ILE 23 3HG2 ILE 23 -6.384 9.065 -6.877 160 HD11 ILE 23 1HD1 ILE 23 -8.603 9.681 -2.408 161 HD12 ILE 23 2HD1 ILE 23 -8.780 9.022 -4.037 162 HD13 ILE 23 3HD1 ILE 23 -7.547 8.365 -2.956 163 H LEU 24 H LEU 24 -5.697 6.703 -5.448 164 HA LEU 24 HA LEU 24 -3.272 6.256 -7.063 165 HB2 LEU 24 2HB LEU 24 -5.765 4.617 -6.372 166 HB3 LEU 24 3HB LEU 24 -4.358 3.984 -7.231 167 HG LEU 24 HG LEU 24 -4.220 5.120 -4.386 168 HD11 LEU 24 1HD1 LEU 24 -4.335 2.244 -5.315 169 HD12 LEU 24 2HD1 LEU 24 -4.030 2.822 -3.648 170 HD13 LEU 24 3HD1 LEU 24 -5.585 3.149 -4.428 171 HD21 LEU 24 1HD2 LEU 24 -2.278 3.807 -6.274 172 HD22 LEU 24 2HD2 LEU 24 -2.137 5.322 -5.348 173 HD23 LEU 24 3HD2 LEU 24 -2.043 3.746 -4.517 174 H GLU 25 H GLU 25 -4.646 4.720 -9.063 175 HA GLU 25 HA GLU 25 -7.023 6.112 -9.884 176 HB2 GLU 25 2HB GLU 25 -6.383 6.642 -12.158 177 HB3 GLU 25 3HB GLU 25 -5.337 7.490 -11.016 178 HG2 GLU 25 2HG GLU 25 -3.547 5.845 -11.400 179 HG3 GLU 25 3HG GLU 25 -4.594 4.944 -12.510 180 H GLU 26 H GLU 26 -7.831 4.949 -12.070 181 HA GLU 26 HA GLU 26 -8.039 2.160 -11.339 182 HB2 GLU 26 2HB GLU 26 -9.954 3.368 -12.267 183 HB3 GLU 26 3HB GLU 26 -9.038 3.799 -13.710 184 HG2 GLU 26 2HG GLU 26 -10.607 2.022 -14.217 185 HG3 GLU 26 3HG GLU 26 -8.962 1.435 -14.413 186 H GLY 27 H GLY 27 -7.050 0.420 -12.258 187 HA2 GLY 27 2HA GLY 27 -5.598 -0.816 -13.549 188 HA3 GLY 27 3HA GLY 27 -5.707 0.462 -14.767 189 H GLU 28 H GLU 28 -4.546 1.594 -11.667 190 HA GLU 28 HA GLU 28 -1.958 2.155 -12.797 191 HB2 GLU 28 2HB GLU 28 -3.519 3.366 -10.970 192 HB3 GLU 28 3HB GLU 28 -2.561 2.393 -9.861 193 HG2 GLU 28 2HG GLU 28 -0.499 3.440 -10.974 194 HG3 GLU 28 3HG GLU 28 -1.602 4.470 -11.881 195 H ASP 29 H ASP 29 0.056 1.601 -11.390 196 HA ASP 29 HA ASP 29 0.175 -1.258 -10.893 197 HB2 ASP 29 2HB ASP 29 2.494 -0.844 -10.352 198 HB3 ASP 29 3HB ASP 29 2.060 -0.139 -11.888 199 H VAL 30 H VAL 30 -0.753 -2.055 -9.093 200 HA VAL 30 HA VAL 30 -0.372 -0.641 -6.543 201 HB VAL 30 HB VAL 30 -2.723 -1.048 -5.939 202 HG11 VAL 30 1HG1 VAL 30 -3.706 0.793 -7.196 203 HG12 VAL 30 2HG1 VAL 30 -2.010 1.165 -6.825 204 HG13 VAL 30 3HG1 VAL 30 -2.475 0.636 -8.454 205 HG21 VAL 30 1HG2 VAL 30 -4.409 -1.558 -7.630 206 HG22 VAL 30 2HG2 VAL 30 -3.164 -1.725 -8.878 207 HG23 VAL 30 3HG2 VAL 30 -3.243 -2.888 -7.533 208 H ARG 31 H ARG 31 -1.252 -2.211 -4.776 209 HA ARG 31 HA ARG 31 -0.660 -4.992 -5.368 210 HB2 ARG 31 2HB ARG 31 1.179 -3.048 -3.999 211 HB3 ARG 31 3HB ARG 31 0.996 -4.592 -3.173 212 HG2 ARG 31 2HG ARG 31 1.666 -4.511 -6.132 213 HG3 ARG 31 3HG ARG 31 2.915 -4.305 -4.923 214 HD2 ARG 31 2HD ARG 31 1.192 -6.592 -4.267 215 HD3 ARG 31 3HD ARG 31 1.879 -6.733 -5.894 216 HE ARG 31 HE ARG 31 3.911 -5.926 -4.068 217 HH11 ARG 31 1HH1 ARG 31 5.295 -9.137 -3.686 218 HH12 ARG 31 2HH1 ARG 31 5.585 -7.444 -3.554 219 HH21 ARG 31 1HH2 ARG 31 3.187 -9.915 -4.469 220 HH22 ARG 31 2HH2 ARG 31 1.966 -8.755 -4.860 221 H ARG 32 H ARG 32 -1.013 -6.277 -3.252 222 HA ARG 32 HA ARG 32 -2.772 -4.868 -1.371 223 HB2 ARG 32 2HB ARG 32 -3.932 -6.175 -3.409 224 HB3 ARG 32 3HB ARG 32 -3.597 -7.587 -2.412 225 HG2 ARG 32 2HG ARG 32 -5.211 -5.116 -1.619 226 HG3 ARG 32 3HG ARG 32 -5.857 -6.685 -2.102 227 HD2 ARG 32 2HD ARG 32 -4.255 -7.458 -0.016 228 HD3 ARG 32 3HD ARG 32 -4.686 -5.849 0.518 229 HE ARG 32 HE ARG 32 -6.360 -8.169 0.400 230 HH11 ARG 32 1HH1 ARG 32 -9.349 -6.436 1.118 231 HH12 ARG 32 2HH1 ARG 32 -8.603 -7.986 0.988 232 HH21 ARG 32 1HH2 ARG 32 -8.058 -4.468 0.717 233 HH22 ARG 32 2HH2 ARG 32 -6.415 -4.647 0.212 234 H LEU 33 H LEU 33 -2.623 -5.858 0.733 235 HA LEU 33 HA LEU 33 -0.647 -8.036 1.044 236 HB2 LEU 33 2HB LEU 33 -0.280 -6.443 3.228 237 HB3 LEU 33 3HB LEU 33 0.767 -6.442 1.818 238 HG LEU 33 HG LEU 33 -1.618 -4.570 2.133 239 HD11 LEU 33 1HD1 LEU 33 0.154 -4.455 4.021 240 HD12 LEU 33 2HD1 LEU 33 1.302 -3.945 2.782 241 HD13 LEU 33 3HD1 LEU 33 -0.150 -2.969 3.131 242 HD21 LEU 33 1HD2 LEU 33 0.088 -3.111 0.726 243 HD22 LEU 33 2HD2 LEU 33 0.780 -4.681 0.276 244 HD23 LEU 33 3HD2 LEU 33 -0.910 -4.269 -0.103 245 HA PRO 34 HA PRO 34 -3.514 -10.044 3.339 246 HB2 PRO 34 2HB PRO 34 -2.305 -11.075 5.583 247 HB3 PRO 34 3HB PRO 34 -1.940 -11.612 3.915 248 HG2 PRO 34 2HG PRO 34 -0.388 -9.672 5.637 249 HG3 PRO 34 3HG PRO 34 0.229 -10.975 4.570 250 HD2 PRO 34 2HD PRO 34 0.110 -8.322 3.898 251 HD3 PRO 34 3HD PRO 34 0.049 -9.604 2.685 252 H CYS 35 H CYS 35 -2.017 -7.377 5.068 253 HA CYS 35 HA CYS 35 -4.044 -7.217 7.216 254 HB2 CYS 35 2HB CYS 35 -2.716 -5.473 7.949 255 HB3 CYS 35 3HB CYS 35 -1.561 -6.590 7.213 256 H MET 36 H MET 36 -4.876 -7.260 4.291 257 HA MET 36 HA MET 36 -6.264 -6.322 2.894 258 HB2 MET 36 2HB MET 36 -8.430 -5.696 3.831 259 HB3 MET 36 3HB MET 36 -7.769 -7.164 4.549 260 HG2 MET 36 2HG MET 36 -7.082 -5.932 6.547 261 HG3 MET 36 3HG MET 36 -7.626 -4.409 5.829 262 HE1 MET 36 1HE MET 36 -10.129 -4.999 8.764 263 HE2 MET 36 2HE MET 36 -8.388 -5.359 8.703 264 HE3 MET 36 3HE MET 36 -9.011 -3.853 7.987 265 H HIS 37 H HIS 37 -4.122 -4.721 3.067 266 HA HIS 37 HA HIS 37 -5.253 -1.964 2.884 267 HB2 HIS 37 1HB HIS 37 -2.693 -3.095 3.880 268 HB3 HIS 37 2HB HIS 37 -2.474 -1.790 2.743 269 HD2 HIS 37 2HD HIS 37 -4.326 0.410 3.338 270 HE1 HIS 37 1HE HIS 37 -3.273 0.184 7.452 271 HE2 HIS 37 2HE HIS 37 -4.266 1.672 5.632 272 H LEU 38 H LEU 38 -4.872 -0.790 0.912 273 HA LEU 38 HA LEU 38 -3.764 -2.373 -1.339 274 HB2 LEU 38 2HB LEU 38 -5.539 -1.945 -2.534 275 HB3 LEU 38 3HB LEU 38 -6.359 -1.258 -1.154 276 HG LEU 38 HG LEU 38 -4.575 0.499 -2.888 277 HD11 LEU 38 1HD1 LEU 38 -6.026 -0.694 -4.447 278 HD12 LEU 38 2HD1 LEU 38 -7.455 -0.280 -3.473 279 HD13 LEU 38 3HD1 LEU 38 -6.537 0.985 -4.290 280 HD21 LEU 38 1HD2 LEU 38 -6.058 2.265 -2.164 281 HD22 LEU 38 2HD2 LEU 38 -7.227 1.116 -1.491 282 HD23 LEU 38 3HD2 LEU 38 -5.663 1.370 -0.697 283 H PHE 39 H PHE 39 -1.869 -1.556 -2.061 284 HA PHE 39 HA PHE 39 -1.127 1.254 -1.362 285 HB2 PHE 39 2HB PHE 39 0.542 -1.297 -1.156 286 HB3 PHE 39 3HB PHE 39 1.238 0.301 -1.150 287 HD1 PHE 39 1HD PHE 39 -1.571 0.935 0.843 288 HD2 PHE 39 2HD PHE 39 2.106 -1.255 0.889 289 HE1 PHE 39 1HE PHE 39 -1.677 0.799 3.286 290 HE2 PHE 39 2HE PHE 39 2.073 -1.281 3.365 291 HZ PHE 39 HZ PHE 39 0.139 -0.288 4.575 292 H HIS 40 H HIS 40 0.739 1.982 -2.893 293 HA HIS 40 HA HIS 40 0.220 1.185 -5.688 294 HB2 HIS 40 1HB HIS 40 2.321 2.849 -4.323 295 HB3 HIS 40 2HB HIS 40 2.540 2.366 -5.985 296 HD2 HIS 40 2HD HIS 40 0.318 3.115 -7.683 297 HE1 HIS 40 1HE HIS 40 0.204 6.892 -5.719 298 HE2 HIS 40 2HE HIS 40 -0.515 5.572 -7.807 299 H GLN 41 H GLN 41 2.010 0.240 -7.012 300 HA GLN 41 HA GLN 41 3.277 -2.038 -5.775 301 HB2 GLN 41 2HB GLN 41 2.482 -1.904 -8.117 302 HB3 GLN 41 3HB GLN 41 3.773 -0.747 -8.470 303 HG2 GLN 41 2HG GLN 41 5.494 -2.353 -8.053 304 HG3 GLN 41 3HG GLN 41 4.328 -3.533 -7.423 305 HE21 GLN 41 1HE2 GLN 41 2.301 -3.750 -9.197 306 HE22 GLN 41 2HE2 GLN 41 2.938 -4.085 -10.803 307 H VAL 42 H VAL 42 4.736 0.944 -7.330 308 HA VAL 42 HA VAL 42 7.308 0.364 -6.337 309 HB VAL 42 HB VAL 42 6.144 3.107 -6.959 310 HG11 VAL 42 1HG1 VAL 42 8.539 3.726 -7.364 311 HG12 VAL 42 2HG1 VAL 42 8.233 3.339 -5.668 312 HG13 VAL 42 3HG1 VAL 42 9.038 2.150 -6.714 313 HG21 VAL 42 1HG2 VAL 42 7.708 1.094 -8.647 314 HG22 VAL 42 2HG2 VAL 42 6.010 1.568 -8.889 315 HG23 VAL 42 3HG2 VAL 42 7.297 2.747 -9.150 316 H CYS 43 H CYS 43 4.789 2.436 -4.760 317 HA CYS 43 HA CYS 43 6.307 3.165 -2.457 318 HB2 CYS 43 2HB CYS 43 3.357 2.487 -2.488 319 HB3 CYS 43 3HB CYS 43 4.228 3.445 -1.329 320 H VAL 44 H VAL 44 4.232 0.115 -2.916 321 HA VAL 44 HA VAL 44 4.942 -0.639 -0.296 322 HB VAL 44 HB VAL 44 2.872 -1.324 -1.505 323 HG11 VAL 44 1HG1 VAL 44 3.856 -2.228 -3.564 324 HG12 VAL 44 2HG1 VAL 44 4.752 -3.440 -2.627 325 HG13 VAL 44 3HG1 VAL 44 2.981 -3.484 -2.660 326 HG21 VAL 44 1HG2 VAL 44 3.897 -2.323 0.655 327 HG22 VAL 44 2HG2 VAL 44 2.647 -3.256 -0.214 328 HG23 VAL 44 3HG2 VAL 44 4.377 -3.679 -0.356 329 H ASP 45 H ASP 45 6.636 -0.967 -3.322 330 HA ASP 45 HA ASP 45 8.152 -3.293 -2.691 331 HB2 ASP 45 2HB ASP 45 8.028 -2.076 -4.926 332 HB3 ASP 45 3HB ASP 45 9.158 -0.886 -4.264 333 H GLN 46 H GLN 46 8.978 0.198 -2.252 334 HA GLN 46 HA GLN 46 11.153 -0.507 -0.454 335 HB2 GLN 46 2HB GLN 46 9.785 2.178 -0.940 336 HB3 GLN 46 3HB GLN 46 11.168 1.924 0.134 337 HG2 GLN 46 2HG GLN 46 12.186 0.736 -2.065 338 HG3 GLN 46 3HG GLN 46 11.069 1.845 -2.868 339 HE21 GLN 46 1HE2 GLN 46 13.816 1.644 -0.539 340 HE22 GLN 46 2HE2 GLN 46 14.344 3.298 -0.824 341 H ALA 47 H ALA 47 7.709 -0.025 0.075 342 HA ALA 47 HA ALA 47 7.906 0.450 2.882 343 HB1 ALA 47 1HB ALA 47 5.837 0.570 1.485 344 HB2 ALA 47 2HB ALA 47 5.806 -1.216 1.462 345 HB3 ALA 47 3HB ALA 47 5.632 -0.347 3.000 346 H LEU 48 H LEU 48 7.384 -2.659 1.154 347 HA LEU 48 HA LEU 48 7.594 -4.355 3.280 348 HB2 LEU 48 2HB LEU 48 6.742 -4.818 1.014 349 HB3 LEU 48 3HB LEU 48 8.377 -4.835 0.369 350 HG LEU 48 HG LEU 48 7.450 -6.749 2.563 351 HD11 LEU 48 1HD1 LEU 48 5.949 -6.960 0.615 352 HD12 LEU 48 2HD1 LEU 48 7.359 -7.142 -0.455 353 HD13 LEU 48 3HD1 LEU 48 6.994 -8.379 0.771 354 HD21 LEU 48 1HD2 LEU 48 9.239 -8.214 1.473 355 HD22 LEU 48 2HD2 LEU 48 9.758 -6.780 0.564 356 HD23 LEU 48 3HD2 LEU 48 9.860 -6.819 2.341 357 H ILE 49 H ILE 49 10.332 -3.308 1.092 358 HA ILE 49 HA ILE 49 12.208 -4.889 2.561 359 HB ILE 49 HB ILE 49 13.940 -3.742 1.431 360 HG12 ILE 49 2HG1 ILE 49 12.984 -1.812 -0.232 361 HG13 ILE 49 3HG1 ILE 49 12.043 -1.527 1.240 362 HG21 ILE 49 1HG2 ILE 49 11.606 -4.024 -0.485 363 HG22 ILE 49 2HG2 ILE 49 13.328 -4.131 -0.866 364 HG23 ILE 49 3HG2 ILE 49 12.574 -5.360 0.163 365 HD11 ILE 49 1HD1 ILE 49 15.065 -1.601 1.011 366 HD12 ILE 49 2HD1 ILE 49 14.042 -0.185 1.342 367 HD13 ILE 49 3HD1 ILE 49 14.187 -1.476 2.549 368 H THR 50 H THR 50 10.997 -1.550 3.146 369 HA THR 50 HA THR 50 12.989 -0.953 5.087 370 HB THR 50 HB THR 50 10.263 0.165 4.381 371 HG1 THR 50 1HG THR 50 12.905 1.215 4.364 372 HG21 THR 50 1HG2 THR 50 12.039 1.139 6.654 373 HG22 THR 50 2HG2 THR 50 10.726 2.077 5.900 374 HG23 THR 50 3HG2 THR 50 10.348 0.585 6.764 375 H ASN 51 H ASN 51 9.696 -2.301 5.326 376 HA ASN 51 HA ASN 51 10.367 -3.978 7.501 377 HB2 ASN 51 2HB ASN 51 9.160 -1.410 8.238 378 HB3 ASN 51 3HB ASN 51 8.017 -2.709 8.541 379 HD21 ASN 51 1HD2 ASN 51 11.466 -1.855 9.113 380 HD22 ASN 51 2HD2 ASN 51 11.532 -2.627 10.690 381 H LYS 52 H LYS 52 9.547 -5.666 6.340 382 HA LYS 52 HA LYS 52 7.360 -5.784 4.660 383 HB2 LYS 52 2HB LYS 52 7.237 -8.183 5.222 384 HB3 LYS 52 3HB LYS 52 8.804 -7.546 4.726 385 HG2 LYS 52 2HG LYS 52 9.396 -7.444 7.266 386 HG3 LYS 52 3HG LYS 52 7.958 -8.438 7.489 387 HD2 LYS 52 2HD LYS 52 9.160 -9.685 5.347 388 HD3 LYS 52 3HD LYS 52 10.568 -9.024 6.135 389 HE2 LYS 52 2HE LYS 52 8.494 -10.959 7.267 390 HE3 LYS 52 3HE LYS 52 10.183 -11.322 6.871 391 HZ1 LYS 52 1HZ LYS 52 9.106 -9.704 9.042 392 HZ2 LYS 52 2HZ LYS 52 9.989 -11.061 9.165 393 HZ3 LYS 52 3HZ LYS 52 10.744 -9.676 8.647 394 H LYS 53 H LYS 53 7.124 -6.371 8.185 395 HA LYS 53 HA LYS 53 4.323 -6.579 8.013 396 HB2 LYS 53 2HB LYS 53 4.354 -6.312 10.473 397 HB3 LYS 53 3HB LYS 53 5.686 -7.337 9.950 398 HG2 LYS 53 2HG LYS 53 7.037 -5.014 9.972 399 HG3 LYS 53 3HG LYS 53 5.747 -4.565 11.107 400 HD2 LYS 53 2HD LYS 53 6.250 -6.777 12.317 401 HD3 LYS 53 3HD LYS 53 7.691 -6.906 11.280 402 HE2 LYS 53 2HE LYS 53 8.488 -4.714 12.126 403 HE3 LYS 53 3HE LYS 53 7.043 -4.578 13.136 404 HZ1 LYS 53 1HZ LYS 53 7.761 -6.607 14.268 405 HZ2 LYS 53 2HZ LYS 53 9.138 -6.641 13.365 406 HZ3 LYS 53 3HZ LYS 53 8.875 -5.401 14.412 407 H CYS 54 H CYS 54 2.644 -5.300 8.074 408 HA CYS 54 HA CYS 54 2.963 -2.868 6.594 409 HB2 CYS 54 2HB CYS 54 1.015 -3.963 6.189 410 HB3 CYS 54 3HB CYS 54 0.753 -4.446 7.862 411 HA PRO 55 HA PRO 55 3.981 -0.022 9.691 412 HB2 PRO 55 2HB PRO 55 2.792 2.369 8.902 413 HB3 PRO 55 3HB PRO 55 4.240 1.633 8.157 414 HG2 PRO 55 2HG PRO 55 1.366 1.425 7.224 415 HG3 PRO 55 3HG PRO 55 2.829 1.762 6.251 416 HD2 PRO 55 2HD PRO 55 1.775 -0.729 6.362 417 HD3 PRO 55 3HD PRO 55 3.546 -0.496 6.383 418 H ILE 56 H ILE 56 0.523 0.846 9.011 419 HA ILE 56 HA ILE 56 0.207 1.410 11.872 420 HB ILE 56 HB ILE 56 -0.476 2.978 10.073 421 HG12 ILE 56 2HG1 ILE 56 -2.750 3.560 10.957 422 HG13 ILE 56 3HG1 ILE 56 -2.695 2.130 11.975 423 HG21 ILE 56 1HG2 ILE 56 -1.370 1.311 8.449 424 HG22 ILE 56 2HG2 ILE 56 -2.780 1.087 9.513 425 HG23 ILE 56 3HG2 ILE 56 -2.467 2.661 8.764 426 HD11 ILE 56 1HD1 ILE 56 -0.632 3.017 13.079 427 HD12 ILE 56 2HD1 ILE 56 -0.714 4.448 12.021 428 HD13 ILE 56 3HD1 ILE 56 -1.999 4.137 13.205 429 H CYS 57 H CYS 57 0.623 -1.302 11.281 430 HA CYS 57 HA CYS 57 -1.784 -2.639 12.419 431 HB2 CYS 57 2HB CYS 57 -1.379 -4.259 10.269 432 HB3 CYS 57 3HB CYS 57 -2.680 -3.103 10.463 433 H ARG 58 H ARG 58 1.465 -2.926 11.054 434 HA ARG 58 HA ARG 58 3.279 -4.104 11.510 435 HB2 ARG 58 2HB ARG 58 2.300 -4.136 14.379 436 HB3 ARG 58 3HB ARG 58 3.929 -4.497 13.818 437 HG2 ARG 58 2HG ARG 58 4.363 -2.339 14.255 438 HG3 ARG 58 3HG ARG 58 3.667 -2.066 12.657 439 HD2 ARG 58 2HD ARG 58 2.700 -0.510 14.256 440 HD3 ARG 58 3HD ARG 58 1.447 -1.657 13.749 441 HE ARG 58 HE ARG 58 2.813 -2.600 16.086 442 HH11 ARG 58 1HH1 ARG 58 0.316 -1.587 18.355 443 HH12 ARG 58 2HH1 ARG 58 1.692 -2.600 18.121 444 HH21 ARG 58 1HH2 ARG 58 -0.452 -0.208 16.566 445 HH22 ARG 58 2HH2 ARG 58 0.417 -0.244 15.070 446 H VAL 59 H VAL 59 0.689 -5.701 10.938 447 HA VAL 59 HA VAL 59 1.542 -8.364 11.812 448 HB VAL 59 HB VAL 59 -0.276 -9.024 10.358 449 HG11 VAL 59 1HG1 VAL 59 -0.785 -8.222 12.706 450 HG12 VAL 59 2HG1 VAL 59 -1.208 -6.640 12.023 451 HG13 VAL 59 3HG1 VAL 59 -2.159 -8.072 11.595 452 HG21 VAL 59 1HG2 VAL 59 -1.796 -7.403 9.305 453 HG22 VAL 59 2HG2 VAL 59 -0.533 -6.162 9.492 454 HG23 VAL 59 3HG2 VAL 59 -0.212 -7.619 8.532 455 H ASP 60 H ASP 60 2.748 -9.756 10.526 456 HA ASP 60 HA ASP 60 4.416 -8.457 8.568 457 HB2 ASP 60 2HB ASP 60 5.013 -10.307 10.246 458 HB3 ASP 60 3HB ASP 60 4.370 -11.400 9.022 459 H ILE 61 H ILE 61 4.531 -8.872 6.337 460 HA ILE 61 HA ILE 61 1.992 -9.839 5.136 461 HB ILE 61 HB ILE 61 2.304 -8.317 3.363 462 HG12 ILE 61 2HG1 ILE 61 4.960 -7.622 4.647 463 HG13 ILE 61 3HG1 ILE 61 4.702 -8.340 3.073 464 HG21 ILE 61 1HG2 ILE 61 1.789 -6.315 4.493 465 HG22 ILE 61 2HG2 ILE 61 1.350 -7.582 5.640 466 HG23 ILE 61 3HG2 ILE 61 2.897 -6.693 5.844 467 HD11 ILE 61 1HD1 ILE 61 5.156 -5.964 2.808 468 HD12 ILE 61 2HD1 ILE 61 3.486 -6.365 2.306 469 HD13 ILE 61 3HD1 ILE 61 3.787 -5.550 3.858 470 H GLU 62 H GLU 62 5.397 -10.346 5.334 471 HA GLU 62 HA GLU 62 6.036 -11.378 2.830 472 HB2 GLU 62 2HB GLU 62 7.469 -11.000 4.932 473 HB3 GLU 62 3HB GLU 62 6.955 -12.609 5.450 474 HG2 GLU 62 2HG GLU 62 7.833 -13.491 3.222 475 HG3 GLU 62 3HG GLU 62 8.451 -11.868 2.894 476 H ALA 63 H ALA 63 5.461 -13.196 1.704 477 HA ALA 63 HA ALA 63 3.347 -14.884 2.790 478 HB1 ALA 63 1HB ALA 63 3.400 -14.217 0.394 479 HB2 ALA 63 2HB ALA 63 4.943 -15.084 0.192 480 HB3 ALA 63 3HB ALA 63 3.458 -15.981 0.576 481 H GLN 64 H GLN 64 3.673 -17.366 2.489 482 HA GLN 64 HA GLN 64 5.820 -18.216 4.164 483 HB2 GLN 64 2HB GLN 64 5.048 -20.462 3.708 484 HB3 GLN 64 3HB GLN 64 3.685 -19.390 3.946 485 HG2 GLN 64 2HG GLN 64 2.934 -20.609 2.155 486 HG3 GLN 64 3HG GLN 64 3.615 -19.214 1.323 487 HE21 GLN 64 1HE2 GLN 64 3.615 -20.776 -0.571 488 HE22 GLN 64 2HE2 GLN 64 4.980 -21.878 -0.680 489 H LEU 65 H LEU 65 7.934 -18.579 3.709 490 HA LEU 65 HA LEU 65 8.742 -19.471 1.040 491 HB2 LEU 65 2HB LEU 65 9.594 -16.873 2.363 492 HB3 LEU 65 3HB LEU 65 10.807 -17.833 1.541 493 HG LEU 65 HG LEU 65 8.792 -17.800 -0.363 494 HD11 LEU 65 1HD1 LEU 65 8.949 -15.042 0.934 495 HD12 LEU 65 2HD1 LEU 65 8.172 -15.421 -0.622 496 HD13 LEU 65 3HD1 LEU 65 7.518 -16.092 0.884 497 HD21 LEU 65 1HD2 LEU 65 11.161 -15.916 -0.024 498 HD22 LEU 65 2HD2 LEU 65 11.191 -17.533 -0.757 499 HD23 LEU 65 3HD2 LEU 65 10.292 -16.228 -1.544 500 HA PRO 66 HA PRO 66 11.170 -21.832 3.983 501 HB2 PRO 66 2HB PRO 66 12.567 -23.426 2.301 502 HB3 PRO 66 3HB PRO 66 10.784 -23.517 2.381 503 HG2 PRO 66 2HG PRO 66 12.452 -21.949 0.376 504 HG3 PRO 66 3HG PRO 66 11.137 -23.120 0.038 505 HD2 PRO 66 2HD PRO 66 10.708 -20.408 0.180 506 HD3 PRO 66 3HD PRO 66 9.478 -21.598 0.714 507 H SER 67 H SER 67 12.081 -19.465 4.300 508 HA SER 67 HA SER 67 13.831 -17.993 4.474 509 HB2 SER 67 2HB SER 67 15.265 -20.649 4.843 510 HB3 SER 67 3HB SER 67 15.863 -19.071 5.390 511 HG SER 67 HG SER 67 14.060 -18.906 6.736 512 H GLU 68 H GLU 68 13.599 -17.435 2.054 513 HA GLU 68 HA GLU 68 16.219 -17.910 0.773 514 HB2 GLU 68 2HB GLU 68 14.505 -19.514 -0.155 515 HB3 GLU 68 3HB GLU 68 13.519 -18.133 -0.627 516 HG2 GLU 68 2HG GLU 68 14.750 -18.864 -2.559 517 HG3 GLU 68 3HG GLU 68 15.430 -17.315 -2.058 518 H SER 69 H SER 69 17.038 -15.926 0.774 519 HA SER 69 HA SER 69 17.278 -13.682 0.800 520 HB2 SER 69 2HB SER 69 16.597 -13.949 -1.597 521 HB3 SER 69 3HB SER 69 14.920 -13.606 -1.112 522 HG SER 69 HG SER 69 15.716 -11.653 -0.215 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -1.384 28.023 11.445 2 H2 MET 1 H2 MET 1 -0.152 27.126 12.090 3 H3 MET 1 H3 MET 1 -1.545 26.391 11.590 4 HA MET 1 HA MET 1 -1.539 26.522 13.959 5 HB2 MET 1 2HB MET 1 -0.037 28.503 14.098 6 HB3 MET 1 3HB MET 1 -1.344 29.539 13.501 7 HG2 MET 1 2HG MET 1 -1.197 29.598 15.969 8 HG3 MET 1 3HG MET 1 -2.737 28.923 15.440 9 HE1 MET 1 1HE MET 1 -2.889 26.260 18.006 10 HE2 MET 1 2HE MET 1 -3.152 28.014 17.860 11 HE3 MET 1 3HE MET 1 -3.722 26.915 16.579 12 H LYS 2 H LYS 2 -3.602 25.609 13.669 13 HA LYS 2 HA LYS 2 -5.941 26.838 14.131 14 HB2 LYS 2 2HB LYS 2 -5.132 27.358 11.315 15 HB3 LYS 2 3HB LYS 2 -6.694 26.604 11.438 16 HG2 LYS 2 2HG LYS 2 -7.631 28.330 12.748 17 HG3 LYS 2 3HG LYS 2 -6.070 28.858 13.350 18 HD2 LYS 2 2HD LYS 2 -5.554 29.583 10.910 19 HD3 LYS 2 3HD LYS 2 -7.320 29.450 10.670 20 HE2 LYS 2 2HE LYS 2 -7.620 30.905 12.714 21 HE3 LYS 2 3HE LYS 2 -5.859 31.049 12.830 22 HZ1 LYS 2 1HZ LYS 2 -5.881 32.102 10.649 23 HZ2 LYS 2 2HZ LYS 2 -7.527 32.014 10.598 24 HZ3 LYS 2 3HZ LYS 2 -6.786 32.946 11.734 25 H GLN 3 H GLN 3 -7.828 25.360 12.856 26 HA GLN 3 HA GLN 3 -6.842 22.550 13.040 27 HB2 GLN 3 2HB GLN 3 -8.635 21.980 14.561 28 HB3 GLN 3 3HB GLN 3 -7.693 23.305 15.247 29 HG2 GLN 3 2HG GLN 3 -9.594 24.787 13.989 30 HG3 GLN 3 3HG GLN 3 -10.514 23.296 14.186 31 HE21 GLN 3 1HE2 GLN 3 -8.745 25.890 15.905 32 HE22 GLN 3 2HE2 GLN 3 -9.510 25.570 17.458 33 H ASP 4 H ASP 4 -7.859 24.637 10.984 34 HA ASP 4 HA ASP 4 -10.369 23.515 10.043 35 HB2 ASP 4 2HB ASP 4 -8.697 25.856 9.023 36 HB3 ASP 4 3HB ASP 4 -10.409 25.551 8.719 37 H GLY 5 H GLY 5 -10.483 23.088 7.542 38 HA2 GLY 5 2HA GLY 5 -7.969 22.389 6.276 39 HA3 GLY 5 3HA GLY 5 -8.877 20.990 6.888 40 H GLU 6 H GLU 6 -8.921 20.450 4.506 41 HA GLU 6 HA GLU 6 -11.277 21.566 3.178 42 HB2 GLU 6 2HB GLU 6 -8.475 22.084 2.422 43 HB3 GLU 6 3HB GLU 6 -9.296 21.181 1.156 44 HG2 GLU 6 2HG GLU 6 -10.445 23.714 2.398 45 HG3 GLU 6 3HG GLU 6 -9.394 23.708 0.976 46 H GLU 7 H GLU 7 -12.073 19.969 1.569 47 HA GLU 7 HA GLU 7 -10.886 17.341 1.480 48 HB2 GLU 7 2HB GLU 7 -12.045 17.390 3.770 49 HB3 GLU 7 3HB GLU 7 -13.560 17.692 2.920 50 HG2 GLU 7 2HG GLU 7 -13.538 15.361 3.285 51 HG3 GLU 7 3HG GLU 7 -13.077 15.528 1.592 52 H GLY 8 H GLY 8 -11.442 16.713 -0.567 53 HA2 GLY 8 2HA GLY 8 -13.954 17.762 -1.802 54 HA3 GLY 8 3HA GLY 8 -12.399 17.890 -2.646 55 H THR 9 H THR 9 -14.556 16.468 -3.804 56 HA THR 9 HA THR 9 -13.457 13.783 -3.976 57 HB THR 9 HB THR 9 -14.956 13.620 -2.051 58 HG1 THR 9 1HG THR 9 -16.315 11.992 -2.936 59 HG21 THR 9 1HG2 THR 9 -17.175 14.410 -3.960 60 HG22 THR 9 2HG2 THR 9 -17.339 13.980 -2.242 61 HG23 THR 9 3HG2 THR 9 -16.499 15.473 -2.709 62 H GLU 10 H GLU 10 -13.820 13.025 -6.120 63 HA GLU 10 HA GLU 10 -16.031 13.971 -7.638 64 HB2 GLU 10 2HB GLU 10 -13.917 15.815 -7.704 65 HB3 GLU 10 3HB GLU 10 -13.684 14.888 -9.189 66 HG2 GLU 10 2HG GLU 10 -15.966 15.343 -9.905 67 HG3 GLU 10 3HG GLU 10 -16.384 16.027 -8.333 68 H GLU 11 H GLU 11 -12.619 12.760 -8.031 69 HA GLU 11 HA GLU 11 -13.752 10.331 -9.259 70 HB2 GLU 11 2HB GLU 11 -11.971 10.327 -10.923 71 HB3 GLU 11 3HB GLU 11 -12.999 11.752 -11.084 72 HG2 GLU 11 2HG GLU 11 -11.205 13.032 -9.742 73 HG3 GLU 11 3HG GLU 11 -10.165 11.621 -9.990 74 H ASP 12 H ASP 12 -13.008 8.614 -8.235 75 HA ASP 12 HA ASP 12 -12.428 7.472 -6.431 76 HB2 ASP 12 2HB ASP 12 -10.706 6.837 -8.009 77 HB3 ASP 12 3HB ASP 12 -9.648 8.127 -7.410 78 H THR 13 H THR 13 -12.775 7.904 -4.367 79 HA THR 13 HA THR 13 -10.939 9.824 -3.032 80 HB THR 13 HB THR 13 -13.925 9.548 -2.606 81 HG1 THR 13 1HG THR 13 -14.043 11.320 -3.773 82 HG21 THR 13 1HG2 THR 13 -12.897 10.265 -0.504 83 HG22 THR 13 2HG2 THR 13 -11.857 11.430 -1.370 84 HG23 THR 13 3HG2 THR 13 -13.613 11.677 -1.286 85 H GLU 14 H GLU 14 -11.573 6.626 -3.315 86 HA GLU 14 HA GLU 14 -11.533 6.111 -0.369 87 HB2 GLU 14 2HB GLU 14 -12.857 4.656 -2.676 88 HB3 GLU 14 3HB GLU 14 -12.412 3.821 -1.191 89 HG2 GLU 14 2HG GLU 14 -14.647 4.442 -0.849 90 HG3 GLU 14 3HG GLU 14 -13.699 5.561 0.123 91 H GLU 15 H GLU 15 -10.209 4.956 -3.584 92 HA GLU 15 HA GLU 15 -8.478 3.127 -2.072 93 HB2 GLU 15 2HB GLU 15 -8.643 3.681 -5.062 94 HB3 GLU 15 3HB GLU 15 -7.662 2.442 -4.259 95 HG2 GLU 15 2HG GLU 15 -9.985 1.779 -3.144 96 HG3 GLU 15 3HG GLU 15 -10.660 2.581 -4.564 97 H LYS 16 H LYS 16 -7.257 4.538 -0.776 98 HA LYS 16 HA LYS 16 -5.261 6.131 -2.324 99 HB2 LYS 16 2HB LYS 16 -5.184 7.638 -0.241 100 HB3 LYS 16 3HB LYS 16 -6.517 7.836 -1.376 101 HG2 LYS 16 2HG LYS 16 -8.082 6.803 -0.022 102 HG3 LYS 16 3HG LYS 16 -6.834 6.027 0.972 103 HD2 LYS 16 2HD LYS 16 -7.742 7.779 2.327 104 HD3 LYS 16 3HD LYS 16 -6.157 8.322 1.782 105 HE2 LYS 16 2HE LYS 16 -7.479 10.219 1.440 106 HE3 LYS 16 3HE LYS 16 -7.443 9.481 -0.168 107 HZ1 LYS 16 1HZ LYS 16 -9.643 9.267 1.806 108 HZ2 LYS 16 2HZ LYS 16 -9.680 10.109 0.399 109 HZ3 LYS 16 3HZ LYS 16 -9.622 8.492 0.357 110 H CYS 17 H CYS 17 -3.255 5.996 -1.884 111 HA CYS 17 HA CYS 17 -2.017 3.734 -0.572 112 HB2 CYS 17 2HB CYS 17 -1.291 5.007 -2.619 113 HB3 CYS 17 3HB CYS 17 -0.925 6.360 -1.587 114 H THR 18 H THR 18 -1.850 3.571 1.655 115 HA THR 18 HA THR 18 -2.097 5.847 3.357 116 HB THR 18 HB THR 18 -2.484 3.303 3.830 117 HG1 THR 18 1HG THR 18 -2.129 3.871 6.088 118 HG21 THR 18 1HG2 THR 18 0.297 3.690 5.017 119 HG22 THR 18 2HG2 THR 18 -0.741 2.267 5.168 120 HG23 THR 18 3HG2 THR 18 -0.048 2.689 3.586 121 H ILE 19 H ILE 19 0.749 4.355 1.780 122 HA ILE 19 HA ILE 19 2.666 5.436 3.569 123 HB ILE 19 HB ILE 19 2.753 4.355 0.759 124 HG12 ILE 19 2HG1 ILE 19 3.953 3.025 3.188 125 HG13 ILE 19 3HG1 ILE 19 2.205 2.906 2.954 126 HG21 ILE 19 1HG2 ILE 19 4.695 5.772 1.006 127 HG22 ILE 19 2HG2 ILE 19 4.970 5.198 2.665 128 HG23 ILE 19 3HG2 ILE 19 5.261 4.113 1.293 129 HD11 ILE 19 1HD1 ILE 19 3.860 1.143 1.820 130 HD12 ILE 19 2HD1 ILE 19 2.371 1.699 1.008 131 HD13 ILE 19 3HD1 ILE 19 3.952 2.374 0.579 132 H CYS 20 H CYS 20 1.642 6.372 0.227 133 HA CYS 20 HA CYS 20 3.218 8.899 0.268 134 HB2 CYS 20 2HB CYS 20 1.023 8.084 -1.651 135 HB3 CYS 20 3HB CYS 20 2.299 9.287 -1.870 136 H LEU 21 H LEU 21 0.200 7.906 1.614 137 HA LEU 21 HA LEU 21 -1.839 8.786 1.808 138 HB2 LEU 21 2HB LEU 21 -0.161 11.147 2.696 139 HB3 LEU 21 3HB LEU 21 -1.902 11.000 2.984 140 HG LEU 21 HG LEU 21 0.138 8.940 3.918 141 HD11 LEU 21 1HD1 LEU 21 -1.132 11.222 5.452 142 HD12 LEU 21 2HD1 LEU 21 -0.136 9.913 6.144 143 HD13 LEU 21 3HD1 LEU 21 0.584 11.051 4.992 144 HD21 LEU 21 1HD2 LEU 21 -2.778 9.422 4.720 145 HD22 LEU 21 2HD2 LEU 21 -2.198 8.065 3.733 146 HD23 LEU 21 3HD2 LEU 21 -1.692 8.192 5.409 147 H SER 22 H SER 22 -1.513 8.541 -0.655 148 HA SER 22 HA SER 22 -2.586 10.999 -1.915 149 HB2 SER 22 2HB SER 22 -0.313 9.296 -3.026 150 HB3 SER 22 3HB SER 22 -1.178 10.553 -3.921 151 HG SER 22 HG SER 22 0.163 11.061 -1.453 152 H ILE 23 H ILE 23 -4.178 10.500 -3.431 153 HA ILE 23 HA ILE 23 -5.569 8.026 -3.207 154 HB ILE 23 HB ILE 23 -5.635 10.455 -5.040 155 HG12 ILE 23 2HG1 ILE 23 -6.137 10.529 -2.398 156 HG13 ILE 23 3HG1 ILE 23 -6.999 11.509 -3.568 157 HG21 ILE 23 1HG2 ILE 23 -7.663 8.207 -4.855 158 HG22 ILE 23 2HG2 ILE 23 -7.956 9.799 -5.617 159 HG23 ILE 23 3HG2 ILE 23 -6.728 8.727 -6.256 160 HD11 ILE 23 1HD1 ILE 23 -8.429 10.383 -1.831 161 HD12 ILE 23 2HD1 ILE 23 -8.897 10.122 -3.503 162 HD13 ILE 23 3HD1 ILE 23 -8.070 8.825 -2.620 163 H LEU 24 H LEU 24 -5.946 6.532 -5.061 164 HA LEU 24 HA LEU 24 -3.592 6.172 -6.786 165 HB2 LEU 24 2HB LEU 24 -5.915 4.362 -5.948 166 HB3 LEU 24 3HB LEU 24 -4.499 3.837 -6.867 167 HG LEU 24 HG LEU 24 -4.252 5.013 -4.057 168 HD11 LEU 24 1HD1 LEU 24 -5.537 3.035 -3.874 169 HD12 LEU 24 2HD1 LEU 24 -4.459 2.153 -4.972 170 HD13 LEU 24 3HD1 LEU 24 -3.876 2.683 -3.355 171 HD21 LEU 24 1HD2 LEU 24 -2.049 3.755 -4.284 172 HD22 LEU 24 2HD2 LEU 24 -2.421 3.613 -6.016 173 HD23 LEU 24 3HD2 LEU 24 -2.277 5.222 -5.281 174 H GLU 25 H GLU 25 -5.373 4.446 -8.511 175 HA GLU 25 HA GLU 25 -7.632 5.952 -9.252 176 HB2 GLU 25 2HB GLU 25 -7.170 6.382 -11.569 177 HB3 GLU 25 3HB GLU 25 -5.941 7.186 -10.589 178 HG2 GLU 25 2HG GLU 25 -4.323 5.418 -11.093 179 HG3 GLU 25 3HG GLU 25 -5.531 4.538 -12.045 180 H GLU 26 H GLU 26 -8.736 4.740 -11.187 181 HA GLU 26 HA GLU 26 -8.954 1.963 -10.498 182 HB2 GLU 26 2HB GLU 26 -10.857 3.245 -11.304 183 HB3 GLU 26 3HB GLU 26 -10.019 3.662 -12.795 184 HG2 GLU 26 2HG GLU 26 -11.704 1.941 -13.185 185 HG3 GLU 26 3HG GLU 26 -10.099 1.320 -13.548 186 H GLY 27 H GLY 27 -7.156 0.771 -10.821 187 HA2 GLY 27 2HA GLY 27 -6.050 -0.764 -12.234 188 HA3 GLY 27 3HA GLY 27 -6.370 0.276 -13.625 189 H GLU 28 H GLU 28 -4.858 1.557 -10.620 190 HA GLU 28 HA GLU 28 -2.488 2.275 -12.151 191 HB2 GLU 28 2HB GLU 28 -3.778 3.448 -10.098 192 HB3 GLU 28 3HB GLU 28 -2.630 2.508 -9.158 193 HG2 GLU 28 2HG GLU 28 -0.789 3.568 -10.607 194 HG3 GLU 28 3HG GLU 28 -2.038 4.592 -11.312 195 H ASP 29 H ASP 29 -0.290 1.763 -11.204 196 HA ASP 29 HA ASP 29 0.078 -1.062 -10.736 197 HB2 ASP 29 2HB ASP 29 2.049 1.236 -10.408 198 HB3 ASP 29 3HB ASP 29 2.429 -0.464 -10.351 199 H VAL 30 H VAL 30 -0.649 -1.884 -8.845 200 HA VAL 30 HA VAL 30 0.277 -0.686 -6.317 201 HB VAL 30 HB VAL 30 -1.918 -0.951 -5.291 202 HG11 VAL 30 1HG1 VAL 30 -3.097 0.886 -6.336 203 HG12 VAL 30 2HG1 VAL 30 -1.361 1.224 -6.402 204 HG13 VAL 30 3HG1 VAL 30 -2.220 0.659 -7.849 205 HG21 VAL 30 1HG2 VAL 30 -2.876 -1.811 -8.056 206 HG22 VAL 30 2HG2 VAL 30 -2.885 -2.784 -6.564 207 HG23 VAL 30 3HG2 VAL 30 -3.938 -1.369 -6.712 208 H ARG 31 H ARG 31 -0.368 -2.374 -4.503 209 HA ARG 31 HA ARG 31 0.051 -5.115 -5.509 210 HB2 ARG 31 2HB ARG 31 1.885 -3.421 -3.895 211 HB3 ARG 31 3HB ARG 31 1.615 -4.998 -3.166 212 HG2 ARG 31 2HG ARG 31 2.305 -4.691 -6.077 213 HG3 ARG 31 3HG ARG 31 3.573 -4.720 -4.831 214 HD2 ARG 31 2HD ARG 31 2.997 -6.969 -4.227 215 HD3 ARG 31 3HD ARG 31 1.500 -6.908 -5.195 216 HE ARG 31 HE ARG 31 3.660 -6.267 -6.883 217 HH11 ARG 31 1HH1 ARG 31 4.065 -9.395 -8.342 218 HH12 ARG 31 2HH1 ARG 31 4.331 -7.684 -8.459 219 HH21 ARG 31 1HH2 ARG 31 2.824 -10.218 -6.433 220 HH22 ARG 31 2HH2 ARG 31 2.349 -9.080 -5.219 221 H ARG 32 H ARG 32 -0.312 -6.671 -3.617 222 HA ARG 32 HA ARG 32 -2.450 -5.611 -1.866 223 HB2 ARG 32 2HB ARG 32 -3.488 -7.073 -3.521 224 HB3 ARG 32 3HB ARG 32 -2.214 -8.283 -3.323 225 HG2 ARG 32 2HG ARG 32 -4.211 -9.047 -2.188 226 HG3 ARG 32 3HG ARG 32 -2.962 -8.732 -1.005 227 HD2 ARG 32 2HD ARG 32 -4.735 -7.659 0.048 228 HD3 ARG 32 3HD ARG 32 -4.097 -6.324 -0.857 229 HE ARG 32 HE ARG 32 -5.960 -6.273 -2.188 230 HH11 ARG 32 1HH1 ARG 32 -8.663 -8.517 -2.522 231 HH12 ARG 32 2HH1 ARG 32 -8.034 -6.981 -2.983 232 HH21 ARG 32 1HH2 ARG 32 -7.417 -9.915 -1.057 233 HH22 ARG 32 2HH2 ARG 32 -5.889 -9.359 -0.477 234 H LEU 33 H LEU 33 -2.301 -6.227 0.263 235 HA LEU 33 HA LEU 33 -0.230 -8.094 1.130 236 HB2 LEU 33 2HB LEU 33 -0.264 -6.332 3.176 237 HB3 LEU 33 3HB LEU 33 0.908 -6.236 1.873 238 HG LEU 33 HG LEU 33 -1.717 -4.751 1.610 239 HD11 LEU 33 1HD1 LEU 33 0.687 -3.884 3.288 240 HD12 LEU 33 2HD1 LEU 33 -0.657 -2.830 2.810 241 HD13 LEU 33 3HD1 LEU 33 -0.961 -4.209 3.872 242 HD21 LEU 33 1HD2 LEU 33 -0.110 -3.067 0.528 243 HD22 LEU 33 2HD2 LEU 33 1.204 -4.221 0.790 244 HD23 LEU 33 3HD2 LEU 33 -0.130 -4.611 -0.309 245 HA PRO 34 HA PRO 34 -3.508 -9.984 3.057 246 HB2 PRO 34 2HB PRO 34 -2.636 -10.718 5.589 247 HB3 PRO 34 3HB PRO 34 -2.139 -11.489 4.054 248 HG2 PRO 34 2HG PRO 34 -0.652 -9.427 5.676 249 HG3 PRO 34 3HG PRO 34 -0.016 -10.856 4.796 250 HD2 PRO 34 2HD PRO 34 0.065 -8.270 3.866 251 HD3 PRO 34 3HD PRO 34 0.052 -9.659 2.784 252 H CYS 35 H CYS 35 -2.275 -7.257 4.882 253 HA CYS 35 HA CYS 35 -4.615 -6.716 6.577 254 HB2 CYS 35 2HB CYS 35 -2.277 -6.099 7.011 255 HB3 CYS 35 3HB CYS 35 -2.278 -5.058 5.622 256 H MET 36 H MET 36 -4.959 -7.124 3.445 257 HA MET 36 HA MET 36 -6.052 -6.186 1.715 258 HB2 MET 36 2HB MET 36 -7.953 -5.640 4.027 259 HB3 MET 36 3HB MET 36 -8.380 -5.599 2.310 260 HG2 MET 36 2HG MET 36 -7.256 -8.005 2.283 261 HG3 MET 36 3HG MET 36 -7.591 -7.953 4.012 262 HE1 MET 36 1HE MET 36 -8.944 -8.144 0.389 263 HE2 MET 36 2HE MET 36 -10.707 -8.003 0.572 264 HE3 MET 36 3HE MET 36 -9.676 -6.585 0.835 265 H HIS 37 H HIS 37 -4.098 -4.494 2.224 266 HA HIS 37 HA HIS 37 -5.331 -1.789 2.118 267 HB2 HIS 37 1HB HIS 37 -3.447 -3.045 3.963 268 HB3 HIS 37 2HB HIS 37 -2.669 -1.721 3.166 269 HD2 HIS 37 2HD HIS 37 -5.530 0.094 3.113 270 HE1 HIS 37 1HE HIS 37 -4.654 0.371 7.263 271 HE2 HIS 37 2HE HIS 37 -5.994 1.376 5.331 272 H LEU 38 H LEU 38 -5.324 -1.771 -0.159 273 HA LEU 38 HA LEU 38 -2.970 -2.725 -1.574 274 HB2 LEU 38 2HB LEU 38 -4.109 -2.217 -3.620 275 HB3 LEU 38 3HB LEU 38 -5.153 -3.114 -2.548 276 HG LEU 38 HG LEU 38 -5.673 -0.279 -2.139 277 HD11 LEU 38 1HD1 LEU 38 -6.440 0.308 -4.395 278 HD12 LEU 38 2HD1 LEU 38 -4.702 -0.053 -4.432 279 HD13 LEU 38 3HD1 LEU 38 -5.880 -1.245 -5.027 280 HD21 LEU 38 1HD2 LEU 38 -7.371 -2.431 -3.426 281 HD22 LEU 38 2HD2 LEU 38 -7.231 -2.133 -1.669 282 HD23 LEU 38 3HD2 LEU 38 -7.917 -0.898 -2.737 283 H PHE 39 H PHE 39 -1.206 -1.600 -2.177 284 HA PHE 39 HA PHE 39 -1.328 1.393 -2.092 285 HB2 PHE 39 2HB PHE 39 0.699 -0.449 -0.787 286 HB3 PHE 39 3HB PHE 39 0.821 1.308 -0.835 287 HD1 PHE 39 1HD PHE 39 0.881 -0.621 1.615 288 HD2 PHE 39 2HD PHE 39 -2.271 1.727 -0.142 289 HE1 PHE 39 1HE PHE 39 -0.272 -0.468 3.810 290 HE2 PHE 39 2HE PHE 39 -3.412 1.851 2.020 291 HZ PHE 39 HZ PHE 39 -2.382 0.790 4.028 292 H HIS 40 H HIS 40 0.452 2.442 -3.260 293 HA HIS 40 HA HIS 40 0.806 1.480 -5.849 294 HB2 HIS 40 1HB HIS 40 2.674 3.275 -4.271 295 HB3 HIS 40 2HB HIS 40 2.816 3.004 -5.997 296 HD2 HIS 40 2HD HIS 40 0.479 3.742 -7.493 297 HE1 HIS 40 1HE HIS 40 -0.103 7.120 -4.968 298 HE2 HIS 40 2HE HIS 40 -0.672 6.013 -7.262 299 H GLN 41 H GLN 41 2.402 0.398 -6.977 300 HA GLN 41 HA GLN 41 4.141 -1.418 -5.570 301 HB2 GLN 41 2HB GLN 41 3.174 -0.917 -8.304 302 HB3 GLN 41 3HB GLN 41 4.854 -1.419 -8.318 303 HG2 GLN 41 2HG GLN 41 4.229 -3.265 -6.688 304 HG3 GLN 41 3HG GLN 41 2.542 -2.764 -6.900 305 HE21 GLN 41 1HE2 GLN 41 2.651 -2.407 -9.854 306 HE22 GLN 41 2HE2 GLN 41 2.837 -4.018 -10.484 307 H VAL 42 H VAL 42 4.698 1.586 -5.368 308 HA VAL 42 HA VAL 42 7.645 1.341 -5.762 309 HB VAL 42 HB VAL 42 5.971 3.871 -6.093 310 HG11 VAL 42 1HG1 VAL 42 8.978 3.415 -6.356 311 HG12 VAL 42 2HG1 VAL 42 8.119 4.921 -6.746 312 HG13 VAL 42 3HG1 VAL 42 8.177 4.349 -5.074 313 HG21 VAL 42 1HG2 VAL 42 5.764 2.427 -8.061 314 HG22 VAL 42 2HG2 VAL 42 6.825 3.789 -8.443 315 HG23 VAL 42 3HG2 VAL 42 7.523 2.188 -8.106 316 H CYS 43 H CYS 43 5.194 3.402 -4.081 317 HA CYS 43 HA CYS 43 6.461 3.939 -1.658 318 HB2 CYS 43 2HB CYS 43 3.571 3.053 -1.958 319 HB3 CYS 43 3HB CYS 43 4.284 4.162 -0.786 320 H VAL 44 H VAL 44 4.463 1.019 -2.416 321 HA VAL 44 HA VAL 44 5.077 -0.026 0.188 322 HB VAL 44 HB VAL 44 2.874 -0.088 -1.147 323 HG11 VAL 44 1HG1 VAL 44 2.434 -1.949 -2.466 324 HG12 VAL 44 2HG1 VAL 44 4.040 -1.452 -3.056 325 HG13 VAL 44 3HG1 VAL 44 3.909 -2.818 -1.950 326 HG21 VAL 44 1HG2 VAL 44 3.239 -1.017 1.092 327 HG22 VAL 44 2HG2 VAL 44 2.237 -2.122 0.118 328 HG23 VAL 44 3HG2 VAL 44 3.962 -2.471 0.381 329 H ASP 45 H ASP 45 6.538 -0.315 -2.853 330 HA ASP 45 HA ASP 45 7.761 -2.934 -2.578 331 HB2 ASP 45 2HB ASP 45 7.910 -1.863 -4.730 332 HB3 ASP 45 3HB ASP 45 8.622 -0.404 -4.042 333 H GLN 46 H GLN 46 9.023 0.376 -1.982 334 HA GLN 46 HA GLN 46 11.154 -0.516 -0.332 335 HB2 GLN 46 2HB GLN 46 9.731 2.150 -0.665 336 HB3 GLN 46 3HB GLN 46 11.054 1.967 0.495 337 HG2 GLN 46 2HG GLN 46 11.404 1.146 -2.416 338 HG3 GLN 46 3HG GLN 46 11.633 2.815 -1.884 339 HE21 GLN 46 1HE2 GLN 46 13.052 -0.416 -1.886 340 HE22 GLN 46 2HE2 GLN 46 14.494 0.056 -0.986 341 H ALA 47 H ALA 47 7.775 0.112 0.548 342 HA ALA 47 HA ALA 47 8.272 0.080 3.363 343 HB1 ALA 47 1HB ALA 47 5.837 -0.981 1.901 344 HB2 ALA 47 2HB ALA 47 5.916 -0.401 3.579 345 HB3 ALA 47 3HB ALA 47 6.160 0.744 2.231 346 H LEU 48 H LEU 48 7.137 -2.656 1.296 347 HA LEU 48 HA LEU 48 7.248 -4.687 3.157 348 HB2 LEU 48 2HB LEU 48 6.128 -4.751 1.020 349 HB3 LEU 48 3HB LEU 48 7.641 -4.693 0.126 350 HG LEU 48 HG LEU 48 7.228 -6.950 2.086 351 HD11 LEU 48 1HD1 LEU 48 5.261 -6.478 0.106 352 HD12 LEU 48 2HD1 LEU 48 6.319 -7.700 -0.598 353 HD13 LEU 48 3HD1 LEU 48 5.568 -7.985 0.979 354 HD21 LEU 48 1HD2 LEU 48 9.391 -6.828 0.900 355 HD22 LEU 48 2HD2 LEU 48 8.476 -8.228 0.350 356 HD23 LEU 48 3HD2 LEU 48 8.552 -6.767 -0.661 357 H ILE 49 H ILE 49 9.887 -3.666 0.880 358 HA ILE 49 HA ILE 49 11.697 -5.636 1.926 359 HB ILE 49 HB ILE 49 13.427 -4.495 0.712 360 HG12 ILE 49 2HG1 ILE 49 12.476 -2.363 -0.642 361 HG13 ILE 49 3HG1 ILE 49 11.659 -2.175 0.915 362 HG21 ILE 49 1HG2 ILE 49 11.781 -5.887 -0.525 363 HG22 ILE 49 2HG2 ILE 49 10.869 -4.417 -0.930 364 HG23 ILE 49 3HG2 ILE 49 12.524 -4.628 -1.519 365 HD11 ILE 49 1HD1 ILE 49 14.641 -2.293 0.377 366 HD12 ILE 49 2HD1 ILE 49 13.708 -0.968 1.109 367 HD13 ILE 49 3HD1 ILE 49 13.979 -2.464 2.011 368 H THR 50 H THR 50 10.932 -2.257 2.927 369 HA THR 50 HA THR 50 13.145 -1.967 4.626 370 HB THR 50 HB THR 50 10.444 -0.678 4.399 371 HG1 THR 50 1HG THR 50 13.149 0.160 4.499 372 HG21 THR 50 1HG2 THR 50 10.449 -0.838 6.790 373 HG22 THR 50 2HG2 THR 50 12.149 -0.296 6.875 374 HG23 THR 50 3HG2 THR 50 10.869 0.805 6.315 375 H ASN 51 H ASN 51 9.874 -3.333 5.315 376 HA ASN 51 HA ASN 51 10.994 -5.138 7.298 377 HB2 ASN 51 2HB ASN 51 9.439 -2.685 8.098 378 HB3 ASN 51 3HB ASN 51 8.835 -4.212 8.723 379 HD21 ASN 51 1HD2 ASN 51 12.239 -2.916 8.522 380 HD22 ASN 51 2HD2 ASN 51 12.518 -3.224 10.215 381 H LYS 52 H LYS 52 9.646 -6.981 7.234 382 HA LYS 52 HA LYS 52 7.241 -7.003 5.577 383 HB2 LYS 52 2HB LYS 52 6.973 -9.237 6.423 384 HB3 LYS 52 3HB LYS 52 8.491 -8.958 5.589 385 HG2 LYS 52 2HG LYS 52 9.794 -9.054 7.607 386 HG3 LYS 52 3HG LYS 52 8.355 -8.918 8.641 387 HD2 LYS 52 2HD LYS 52 7.492 -10.982 7.533 388 HD3 LYS 52 3HD LYS 52 9.081 -11.224 6.806 389 HE2 LYS 52 2HE LYS 52 10.031 -11.673 8.972 390 HE3 LYS 52 3HE LYS 52 8.641 -10.919 9.799 391 HZ1 LYS 52 1HZ LYS 52 8.425 -13.404 8.213 392 HZ2 LYS 52 2HZ LYS 52 8.501 -13.337 9.865 393 HZ3 LYS 52 3HZ LYS 52 7.247 -12.658 9.059 394 H LYS 53 H LYS 53 6.123 -5.174 6.568 395 HA LYS 53 HA LYS 53 4.054 -6.227 8.293 396 HB2 LYS 53 2HB LYS 53 4.206 -4.488 10.017 397 HB3 LYS 53 3HB LYS 53 5.604 -5.560 10.043 398 HG2 LYS 53 2HG LYS 53 6.748 -3.691 8.577 399 HG3 LYS 53 3HG LYS 53 5.428 -2.666 9.147 400 HD2 LYS 53 2HD LYS 53 6.023 -3.234 11.503 401 HD3 LYS 53 3HD LYS 53 7.355 -4.255 10.910 402 HE2 LYS 53 2HE LYS 53 8.348 -2.261 9.791 403 HE3 LYS 53 3HE LYS 53 7.065 -1.249 10.469 404 HZ1 LYS 53 1HZ LYS 53 9.060 -1.179 11.804 405 HZ2 LYS 53 2HZ LYS 53 7.868 -1.918 12.670 406 HZ3 LYS 53 3HZ LYS 53 9.076 -2.814 11.964 407 H CYS 54 H CYS 54 2.155 -4.949 8.017 408 HA CYS 54 HA CYS 54 2.039 -3.356 5.575 409 HB2 CYS 54 2HB CYS 54 0.121 -4.606 6.270 410 HB3 CYS 54 3HB CYS 54 0.116 -3.842 7.851 411 HA PRO 55 HA PRO 55 3.859 0.202 7.445 412 HB2 PRO 55 2HB PRO 55 3.231 2.137 5.597 413 HB3 PRO 55 3HB PRO 55 4.401 0.817 5.263 414 HG2 PRO 55 2HG PRO 55 1.438 0.877 4.600 415 HG3 PRO 55 3HG PRO 55 2.790 0.508 3.491 416 HD2 PRO 55 2HD PRO 55 1.463 -1.495 4.614 417 HD3 PRO 55 3HD PRO 55 3.251 -1.556 4.542 418 H ILE 56 H ILE 56 3.256 1.670 8.944 419 HA ILE 56 HA ILE 56 2.001 2.767 10.426 420 HB ILE 56 HB ILE 56 -0.122 3.284 8.340 421 HG12 ILE 56 2HG1 ILE 56 1.955 3.788 7.169 422 HG13 ILE 56 3HG1 ILE 56 1.125 5.263 7.598 423 HG21 ILE 56 1HG2 ILE 56 -0.684 4.179 10.513 424 HG22 ILE 56 2HG2 ILE 56 0.938 4.852 10.732 425 HG23 ILE 56 3HG2 ILE 56 -0.162 5.527 9.511 426 HD11 ILE 56 1HD1 ILE 56 3.518 4.114 9.109 427 HD12 ILE 56 2HD1 ILE 56 3.549 5.457 7.955 428 HD13 ILE 56 3HD1 ILE 56 2.684 5.639 9.486 429 H CYS 57 H CYS 57 1.464 -0.222 9.629 430 HA CYS 57 HA CYS 57 -0.801 -0.618 11.586 431 HB2 CYS 57 2HB CYS 57 -0.001 -2.430 9.332 432 HB3 CYS 57 3HB CYS 57 -1.431 -2.556 10.377 433 H ARG 58 H ARG 58 -0.017 -3.398 11.526 434 HA ARG 58 HA ARG 58 2.822 -3.449 12.325 435 HB2 ARG 58 2HB ARG 58 0.813 -3.348 14.342 436 HB3 ARG 58 3HB ARG 58 1.286 -5.039 14.247 437 HG2 ARG 58 2HG ARG 58 2.828 -4.271 15.772 438 HG3 ARG 58 3HG ARG 58 3.762 -4.072 14.280 439 HD2 ARG 58 2HD ARG 58 3.042 -1.679 14.189 440 HD3 ARG 58 3HD ARG 58 2.087 -1.931 15.665 441 HE ARG 58 HE ARG 58 4.832 -2.665 16.064 442 HH11 ARG 58 1HH1 ARG 58 5.643 0.338 17.748 443 HH12 ARG 58 2HH1 ARG 58 6.148 -1.277 17.418 444 HH21 ARG 58 1HH2 ARG 58 3.593 1.146 16.857 445 HH22 ARG 58 2HH2 ARG 58 2.670 0.106 15.831 446 H VAL 59 H VAL 59 -0.166 -5.328 11.756 447 HA VAL 59 HA VAL 59 0.447 -7.862 11.663 448 HB VAL 59 HB VAL 59 -1.136 -7.868 9.603 449 HG11 VAL 59 1HG1 VAL 59 -3.042 -7.205 10.999 450 HG12 VAL 59 2HG1 VAL 59 -1.873 -8.088 11.989 451 HG13 VAL 59 3HG1 VAL 59 -1.981 -6.317 12.105 452 HG21 VAL 59 1HG2 VAL 59 -0.668 -5.734 8.647 453 HG22 VAL 59 2HG2 VAL 59 -2.349 -5.801 9.216 454 HG23 VAL 59 3HG2 VAL 59 -1.168 -4.872 10.123 455 H ASP 60 H ASP 60 1.833 -9.219 10.765 456 HA ASP 60 HA ASP 60 3.884 -8.380 8.967 457 HB2 ASP 60 2HB ASP 60 3.942 -10.219 10.733 458 HB3 ASP 60 3HB ASP 60 3.005 -11.219 9.618 459 H ILE 61 H ILE 61 4.150 -8.989 6.791 460 HA ILE 61 HA ILE 61 1.680 -9.717 5.317 461 HB ILE 61 HB ILE 61 2.409 -8.301 3.524 462 HG12 ILE 61 2HG1 ILE 61 4.731 -7.451 5.324 463 HG13 ILE 61 3HG1 ILE 61 4.878 -8.469 3.878 464 HG21 ILE 61 1HG2 ILE 61 1.074 -7.445 5.578 465 HG22 ILE 61 2HG2 ILE 61 2.589 -6.647 6.046 466 HG23 ILE 61 3HG2 ILE 61 1.786 -6.230 4.506 467 HD11 ILE 61 1HD1 ILE 61 3.796 -6.687 2.546 468 HD12 ILE 61 2HD1 ILE 61 3.885 -5.614 3.968 469 HD13 ILE 61 3HD1 ILE 61 5.382 -6.219 3.240 470 H GLU 62 H GLU 62 4.984 -10.516 5.888 471 HA GLU 62 HA GLU 62 5.677 -11.745 3.426 472 HB2 GLU 62 2HB GLU 62 7.234 -11.196 5.215 473 HB3 GLU 62 3HB GLU 62 6.468 -12.386 6.286 474 HG2 GLU 62 2HG GLU 62 7.502 -13.401 3.662 475 HG3 GLU 62 3HG GLU 62 8.714 -12.820 4.806 476 H ALA 63 H ALA 63 5.412 -13.832 2.657 477 HA ALA 63 HA ALA 63 3.944 -15.790 4.257 478 HB1 ALA 63 1HB ALA 63 2.885 -14.695 1.607 479 HB2 ALA 63 2HB ALA 63 2.260 -16.131 2.450 480 HB3 ALA 63 3HB ALA 63 2.118 -14.525 3.202 481 H GLN 64 H GLN 64 5.938 -16.882 4.147 482 HA GLN 64 HA GLN 64 7.158 -18.624 3.407 483 HB2 GLN 64 2HB GLN 64 4.790 -19.231 2.515 484 HB3 GLN 64 3HB GLN 64 5.420 -18.856 0.919 485 HG2 GLN 64 2HG GLN 64 6.835 -20.819 2.770 486 HG3 GLN 64 3HG GLN 64 5.407 -21.297 1.860 487 HE21 GLN 64 1HE2 GLN 64 8.821 -21.104 1.669 488 HE22 GLN 64 2HE2 GLN 64 8.897 -21.324 -0.075 489 H LEU 65 H LEU 65 8.008 -15.955 2.907 490 HA LEU 65 HA LEU 65 9.711 -16.426 0.520 491 HB2 LEU 65 2HB LEU 65 7.670 -14.297 0.766 492 HB3 LEU 65 3HB LEU 65 9.287 -13.645 0.587 493 HG LEU 65 HG LEU 65 9.502 -15.369 -1.413 494 HD11 LEU 65 1HD1 LEU 65 6.486 -14.943 -1.241 495 HD12 LEU 65 2HD1 LEU 65 7.362 -15.630 -2.629 496 HD13 LEU 65 3HD1 LEU 65 7.332 -16.493 -1.086 497 HD21 LEU 65 1HD2 LEU 65 8.694 -13.610 -2.930 498 HD22 LEU 65 2HD2 LEU 65 7.866 -12.809 -1.574 499 HD23 LEU 65 3HD2 LEU 65 9.640 -12.925 -1.601 500 HA PRO 66 HA PRO 66 12.740 -14.936 3.415 501 HB2 PRO 66 2HB PRO 66 14.777 -14.142 1.784 502 HB3 PRO 66 3HB PRO 66 14.302 -15.864 1.928 503 HG2 PRO 66 2HG PRO 66 13.477 -13.879 -0.213 504 HG3 PRO 66 3HG PRO 66 14.111 -15.542 -0.434 505 HD2 PRO 66 2HD PRO 66 11.435 -14.947 -0.449 506 HD3 PRO 66 3HD PRO 66 12.053 -16.503 0.189 507 H SER 67 H SER 67 13.447 -12.941 4.337 508 HA SER 67 HA SER 67 12.183 -10.499 3.451 509 HB2 SER 67 2HB SER 67 14.473 -10.955 5.415 510 HB3 SER 67 3HB SER 67 13.453 -9.505 5.295 511 HG SER 67 HG SER 67 12.737 -10.898 6.943 512 H GLU 68 H GLU 68 13.683 -8.469 3.188 513 HA GLU 68 HA GLU 68 16.195 -9.002 1.818 514 HB2 GLU 68 2HB GLU 68 14.243 -9.070 0.154 515 HB3 GLU 68 3HB GLU 68 14.007 -7.349 0.475 516 HG2 GLU 68 2HG GLU 68 16.054 -6.779 -0.572 517 HG3 GLU 68 3HG GLU 68 16.751 -8.382 -0.295 518 H SER 69 H SER 69 16.811 -6.299 1.141 519 HA SER 69 HA SER 69 15.942 -4.478 3.193 520 HB2 SER 69 2HB SER 69 18.806 -5.551 3.098 521 HB3 SER 69 3HB SER 69 18.331 -4.052 3.914 522 HG SER 69 HG SER 69 16.731 -6.109 4.638 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -24.483 41.669 -9.312 2 H2 MET 1 H2 MET 1 -25.460 42.550 -10.311 3 H3 MET 1 H3 MET 1 -24.015 41.966 -10.856 4 HA MET 1 HA MET 1 -23.821 44.287 -10.464 5 HB2 MET 1 2HB MET 1 -25.138 43.555 -7.898 6 HB3 MET 1 3HB MET 1 -23.778 44.680 -7.758 7 HG2 MET 1 2HG MET 1 -24.747 46.118 -9.499 8 HG3 MET 1 3HG MET 1 -26.175 45.070 -9.573 9 HE1 MET 1 1HE MET 1 -25.898 48.315 -8.979 10 HE2 MET 1 2HE MET 1 -27.464 47.501 -9.217 11 HE3 MET 1 3HE MET 1 -27.196 48.519 -7.782 12 H LYS 2 H LYS 2 -22.793 42.475 -7.488 13 HA LYS 2 HA LYS 2 -20.036 43.160 -8.213 14 HB2 LYS 2 2HB LYS 2 -21.361 43.329 -5.909 15 HB3 LYS 2 3HB LYS 2 -20.903 41.635 -5.733 16 HG2 LYS 2 2HG LYS 2 -18.571 42.200 -5.668 17 HG3 LYS 2 3HG LYS 2 -18.862 43.811 -6.373 18 HD2 LYS 2 2HD LYS 2 -20.107 44.516 -4.386 19 HD3 LYS 2 3HD LYS 2 -19.906 42.907 -3.658 20 HE2 LYS 2 2HE LYS 2 -17.452 43.229 -3.635 21 HE3 LYS 2 3HE LYS 2 -17.645 44.819 -4.395 22 HZ1 LYS 2 1HZ LYS 2 -18.894 45.522 -2.454 23 HZ2 LYS 2 2HZ LYS 2 -18.705 44.046 -1.750 24 HZ3 LYS 2 3HZ LYS 2 -17.396 45.005 -2.014 25 H GLN 3 H GLN 3 -18.363 41.308 -7.997 26 HA GLN 3 HA GLN 3 -19.457 38.971 -9.459 27 HB2 GLN 3 2HB GLN 3 -17.648 40.253 -10.530 28 HB3 GLN 3 3HB GLN 3 -16.596 39.991 -9.126 29 HG2 GLN 3 2HG GLN 3 -16.431 37.650 -9.548 30 HG3 GLN 3 3HG GLN 3 -17.833 37.655 -10.627 31 HE21 GLN 3 1HE2 GLN 3 -17.503 37.981 -12.850 32 HE22 GLN 3 2HE2 GLN 3 -15.926 38.415 -13.496 33 H ASP 4 H ASP 4 -19.572 37.009 -8.456 34 HA ASP 4 HA ASP 4 -17.740 36.201 -6.387 35 HB2 ASP 4 2HB ASP 4 -20.489 37.175 -5.725 36 HB3 ASP 4 3HB ASP 4 -20.148 35.544 -5.152 37 H GLY 5 H GLY 5 -18.207 33.793 -5.931 38 HA2 GLY 5 2HA GLY 5 -20.202 32.351 -7.267 39 HA3 GLY 5 3HA GLY 5 -18.783 32.384 -8.336 40 H GLU 6 H GLU 6 -19.936 30.023 -6.885 41 HA GLU 6 HA GLU 6 -17.511 29.124 -5.525 42 HB2 GLU 6 2HB GLU 6 -20.279 29.103 -4.228 43 HB3 GLU 6 3HB GLU 6 -18.875 28.196 -3.648 44 HG2 GLU 6 2HG GLU 6 -17.639 30.354 -3.348 45 HG3 GLU 6 3HG GLU 6 -19.119 31.229 -3.790 46 H GLU 7 H GLU 7 -17.913 26.664 -5.024 47 HA GLU 7 HA GLU 7 -19.915 25.369 -6.694 48 HB2 GLU 7 2HB GLU 7 -18.189 25.709 -8.344 49 HB3 GLU 7 3HB GLU 7 -16.960 25.007 -7.295 50 HG2 GLU 7 2HG GLU 7 -17.575 22.869 -7.814 51 HG3 GLU 7 3HG GLU 7 -19.296 23.222 -7.661 52 H GLY 8 H GLY 8 -17.076 23.622 -5.830 53 HA2 GLY 8 2HA GLY 8 -17.594 22.967 -3.126 54 HA3 GLY 8 3HA GLY 8 -18.469 21.820 -4.168 55 H THR 9 H THR 9 -17.024 20.088 -3.436 56 HA THR 9 HA THR 9 -14.522 19.984 -4.967 57 HB THR 9 HB THR 9 -13.376 18.981 -2.965 58 HG1 THR 9 1HG THR 9 -15.152 18.465 -1.703 59 HG21 THR 9 1HG2 THR 9 -14.326 21.818 -2.411 60 HG22 THR 9 2HG2 THR 9 -12.832 21.049 -1.852 61 HG23 THR 9 3HG2 THR 9 -13.055 21.394 -3.581 62 H GLU 10 H GLU 10 -13.743 17.386 -4.261 63 HA GLU 10 HA GLU 10 -16.173 15.735 -4.500 64 HB2 GLU 10 2HB GLU 10 -15.152 14.522 -6.354 65 HB3 GLU 10 3HB GLU 10 -15.326 16.230 -6.758 66 HG2 GLU 10 2HG GLU 10 -12.768 16.238 -5.743 67 HG3 GLU 10 3HG GLU 10 -12.847 14.597 -6.377 68 H GLU 11 H GLU 11 -15.869 13.637 -3.668 69 HA GLU 11 HA GLU 11 -13.916 13.453 -1.551 70 HB2 GLU 11 2HB GLU 11 -15.903 11.400 -2.663 71 HB3 GLU 11 3HB GLU 11 -14.934 11.220 -1.199 72 HG2 GLU 11 2HG GLU 11 -16.818 11.975 -0.210 73 HG3 GLU 11 3HG GLU 11 -16.072 13.536 -0.525 74 H ASP 12 H ASP 12 -12.116 12.007 -1.422 75 HA ASP 12 HA ASP 12 -11.582 10.323 -3.750 76 HB2 ASP 12 2HB ASP 12 -10.771 12.868 -4.045 77 HB3 ASP 12 3HB ASP 12 -9.397 12.300 -3.106 78 H THR 13 H THR 13 -11.899 8.833 -2.027 79 HA THR 13 HA THR 13 -9.424 8.370 -0.451 80 HB THR 13 HB THR 13 -11.653 9.657 0.602 81 HG1 THR 13 1HG THR 13 -10.497 9.189 2.599 82 HG21 THR 13 1HG2 THR 13 -11.571 6.917 1.908 83 HG22 THR 13 2HG2 THR 13 -12.568 8.312 2.354 84 HG23 THR 13 3HG2 THR 13 -12.864 7.482 0.819 85 H GLU 14 H GLU 14 -11.695 6.967 -2.397 86 HA GLU 14 HA GLU 14 -12.209 4.512 -1.133 87 HB2 GLU 14 2HB GLU 14 -12.318 5.463 -4.039 88 HB3 GLU 14 3HB GLU 14 -12.816 3.854 -3.521 89 HG2 GLU 14 2HG GLU 14 -14.823 4.925 -3.521 90 HG3 GLU 14 3HG GLU 14 -14.376 5.057 -1.828 91 H GLU 15 H GLU 15 -9.724 5.524 -3.492 92 HA GLU 15 HA GLU 15 -8.159 3.114 -2.767 93 HB2 GLU 15 2HB GLU 15 -7.510 2.965 -5.213 94 HB3 GLU 15 3HB GLU 15 -9.096 2.364 -4.739 95 HG2 GLU 15 2HG GLU 15 -10.221 4.306 -5.660 96 HG3 GLU 15 3HG GLU 15 -8.693 5.126 -5.967 97 H LYS 16 H LYS 16 -6.733 4.303 -1.481 98 HA LYS 16 HA LYS 16 -4.907 5.967 -3.062 99 HB2 LYS 16 2HB LYS 16 -4.755 7.646 -1.180 100 HB3 LYS 16 3HB LYS 16 -6.235 7.711 -2.161 101 HG2 LYS 16 2HG LYS 16 -7.553 6.716 -0.564 102 HG3 LYS 16 3HG LYS 16 -6.173 6.105 0.365 103 HD2 LYS 16 2HD LYS 16 -7.341 8.005 1.468 104 HD3 LYS 16 3HD LYS 16 -5.624 8.337 1.157 105 HE2 LYS 16 2HE LYS 16 -6.072 9.849 -0.562 106 HE3 LYS 16 3HE LYS 16 -7.633 9.114 -0.948 107 HZ1 LYS 16 1HZ LYS 16 -7.065 10.877 1.339 108 HZ2 LYS 16 2HZ LYS 16 -8.069 11.123 0.032 109 HZ3 LYS 16 3HZ LYS 16 -8.470 10.013 1.133 110 H CYS 17 H CYS 17 -2.925 6.041 -2.373 111 HA CYS 17 HA CYS 17 -1.736 3.729 -1.034 112 HB2 CYS 17 2HB CYS 17 -1.097 4.918 -3.196 113 HB3 CYS 17 3HB CYS 17 -0.582 6.262 -2.204 114 H THR 18 H THR 18 -1.716 3.771 1.258 115 HA THR 18 HA THR 18 -1.886 6.245 2.664 116 HB THR 18 HB THR 18 -2.547 3.914 3.494 117 HG1 THR 18 1HG THR 18 -1.136 5.805 5.059 118 HG21 THR 18 1HG2 THR 18 -0.939 2.733 4.834 119 HG22 THR 18 2HG2 THR 18 -0.201 2.956 3.223 120 HG23 THR 18 3HG2 THR 18 0.296 3.974 4.587 121 H ILE 19 H ILE 19 0.829 4.807 1.107 122 HA ILE 19 HA ILE 19 2.810 5.783 2.992 123 HB ILE 19 HB ILE 19 2.812 4.230 0.408 124 HG12 ILE 19 2HG1 ILE 19 3.804 3.312 3.124 125 HG13 ILE 19 3HG1 ILE 19 2.076 3.279 2.764 126 HG21 ILE 19 1HG2 ILE 19 5.273 3.879 0.881 127 HG22 ILE 19 2HG2 ILE 19 4.864 5.544 0.436 128 HG23 ILE 19 3HG2 ILE 19 5.152 5.128 2.140 129 HD11 ILE 19 1HD1 ILE 19 2.455 1.915 0.773 130 HD12 ILE 19 2HD1 ILE 19 4.201 1.904 1.100 131 HD13 ILE 19 3HD1 ILE 19 3.078 1.121 2.233 132 H CYS 20 H CYS 20 1.951 6.324 -0.500 133 HA CYS 20 HA CYS 20 3.589 8.797 -0.719 134 HB2 CYS 20 2HB CYS 20 1.290 7.902 -2.471 135 HB3 CYS 20 3HB CYS 20 2.564 9.069 -2.830 136 H LEU 21 H LEU 21 0.511 7.969 0.686 137 HA LEU 21 HA LEU 21 -1.446 8.957 0.935 138 HB2 LEU 21 2HB LEU 21 0.345 11.320 1.541 139 HB3 LEU 21 3HB LEU 21 -1.376 11.242 1.945 140 HG LEU 21 HG LEU 21 0.624 9.140 2.901 141 HD11 LEU 21 1HD1 LEU 21 0.626 10.336 5.046 142 HD12 LEU 21 2HD1 LEU 21 1.338 11.293 3.735 143 HD13 LEU 21 3HD1 LEU 21 -0.310 11.661 4.306 144 HD21 LEU 21 1HD2 LEU 21 -1.769 8.468 2.972 145 HD22 LEU 21 2HD2 LEU 21 -1.104 8.675 4.590 146 HD23 LEU 21 3HD2 LEU 21 -2.152 9.935 3.900 147 H SER 22 H SER 22 -1.069 8.529 -1.579 148 HA SER 22 HA SER 22 -2.245 10.881 -2.971 149 HB2 SER 22 2HB SER 22 0.100 10.752 -3.711 150 HB3 SER 22 3HB SER 22 -0.082 9.019 -4.055 151 HG SER 22 HG SER 22 -1.568 9.528 -5.698 152 H ILE 23 H ILE 23 -3.980 10.279 -4.311 153 HA ILE 23 HA ILE 23 -5.260 7.804 -4.017 154 HB ILE 23 HB ILE 23 -5.368 10.198 -5.902 155 HG12 ILE 23 2HG1 ILE 23 -7.212 10.896 -4.690 156 HG13 ILE 23 3HG1 ILE 23 -7.404 9.347 -3.842 157 HG21 ILE 23 1HG2 ILE 23 -6.350 8.486 -7.223 158 HG22 ILE 23 2HG2 ILE 23 -7.242 7.797 -5.855 159 HG23 ILE 23 3HG2 ILE 23 -7.677 9.385 -6.519 160 HD11 ILE 23 1HD1 ILE 23 -6.709 11.160 -2.375 161 HD12 ILE 23 2HD1 ILE 23 -5.471 9.899 -2.458 162 HD13 ILE 23 3HD1 ILE 23 -5.261 11.438 -3.353 163 H LEU 24 H LEU 24 -5.614 6.321 -5.713 164 HA LEU 24 HA LEU 24 -3.349 5.716 -7.527 165 HB2 LEU 24 2HB LEU 24 -5.671 4.043 -6.428 166 HB3 LEU 24 3HB LEU 24 -4.300 3.405 -7.349 167 HG LEU 24 HG LEU 24 -4.041 4.777 -4.634 168 HD11 LEU 24 1HD1 LEU 24 -5.188 2.664 -4.447 169 HD12 LEU 24 2HD1 LEU 24 -3.903 1.853 -5.373 170 HD13 LEU 24 3HD1 LEU 24 -3.547 2.571 -3.772 171 HD21 LEU 24 1HD2 LEU 24 -1.720 3.683 -4.890 172 HD22 LEU 24 2HD2 LEU 24 -2.117 3.547 -6.612 173 HD23 LEU 24 3HD2 LEU 24 -2.084 5.151 -5.837 174 H GLU 25 H GLU 25 -5.091 3.881 -9.094 175 HA GLU 25 HA GLU 25 -7.386 5.252 -9.907 176 HB2 GLU 25 2HB GLU 25 -6.858 5.629 -12.262 177 HB3 GLU 25 3HB GLU 25 -5.783 6.575 -11.231 178 HG2 GLU 25 2HG GLU 25 -3.964 4.971 -11.580 179 HG3 GLU 25 3HG GLU 25 -5.030 3.938 -12.553 180 H GLU 26 H GLU 26 -8.329 3.921 -11.920 181 HA GLU 26 HA GLU 26 -8.413 1.203 -11.126 182 HB2 GLU 26 2HB GLU 26 -10.248 2.501 -12.285 183 HB3 GLU 26 3HB GLU 26 -9.307 2.415 -13.781 184 HG2 GLU 26 2HG GLU 26 -9.328 -0.144 -13.483 185 HG3 GLU 26 3HG GLU 26 -10.493 0.105 -12.183 186 H GLY 27 H GLY 27 -6.817 -0.283 -11.442 187 HA2 GLY 27 2HA GLY 27 -5.605 -1.765 -12.781 188 HA3 GLY 27 3HA GLY 27 -5.879 -0.721 -14.179 189 H GLU 28 H GLU 28 -4.590 0.843 -11.340 190 HA GLU 28 HA GLU 28 -2.126 1.589 -12.562 191 HB2 GLU 28 2HB GLU 28 -3.279 2.930 -10.931 192 HB3 GLU 28 3HB GLU 28 -3.289 1.615 -9.766 193 HG2 GLU 28 2HG GLU 28 -1.811 3.255 -8.981 194 HG3 GLU 28 3HG GLU 28 -0.836 1.878 -9.459 195 H ASP 29 H ASP 29 -0.022 1.147 -11.681 196 HA ASP 29 HA ASP 29 0.506 -1.708 -11.219 197 HB2 ASP 29 2HB ASP 29 2.365 0.685 -11.156 198 HB3 ASP 29 3HB ASP 29 2.850 -0.973 -10.922 199 H VAL 30 H VAL 30 -0.301 -2.334 -9.282 200 HA VAL 30 HA VAL 30 0.749 -1.051 -6.834 201 HB VAL 30 HB VAL 30 -1.405 -1.044 -5.770 202 HG11 VAL 30 1HG1 VAL 30 -2.541 0.696 -6.947 203 HG12 VAL 30 2HG1 VAL 30 -0.819 0.909 -7.297 204 HG13 VAL 30 3HG1 VAL 30 -1.892 0.157 -8.497 205 HG21 VAL 30 1HG2 VAL 30 -2.518 -2.974 -6.677 206 HG22 VAL 30 2HG2 VAL 30 -3.491 -1.565 -7.127 207 HG23 VAL 30 3HG2 VAL 30 -2.446 -2.318 -8.333 208 H ARG 31 H ARG 31 -0.013 -2.571 -4.906 209 HA ARG 31 HA ARG 31 0.192 -5.377 -5.692 210 HB2 ARG 31 2HB ARG 31 2.300 -3.723 -4.421 211 HB3 ARG 31 3HB ARG 31 1.919 -5.131 -3.444 212 HG2 ARG 31 2HG ARG 31 2.453 -5.417 -6.418 213 HG3 ARG 31 3HG ARG 31 3.783 -5.237 -5.274 214 HD2 ARG 31 2HD ARG 31 1.998 -7.235 -4.218 215 HD3 ARG 31 3HD ARG 31 2.261 -7.585 -5.937 216 HE ARG 31 HE ARG 31 4.721 -6.948 -4.575 217 HH11 ARG 31 1HH1 ARG 31 5.793 -10.283 -4.298 218 HH12 ARG 31 2HH1 ARG 31 6.266 -8.627 -4.217 219 HH21 ARG 31 1HH2 ARG 31 3.535 -10.838 -4.810 220 HH22 ARG 31 2HH2 ARG 31 2.404 -9.557 -5.068 221 H ARG 32 H ARG 32 -0.139 -6.694 -3.491 222 HA ARG 32 HA ARG 32 -2.066 -5.226 -1.811 223 HB2 ARG 32 2HB ARG 32 -3.067 -6.565 -3.830 224 HB3 ARG 32 3HB ARG 32 -2.681 -8.009 -2.894 225 HG2 ARG 32 2HG ARG 32 -4.313 -5.676 -1.794 226 HG3 ARG 32 3HG ARG 32 -5.050 -6.973 -2.719 227 HD2 ARG 32 2HD ARG 32 -3.391 -8.050 -0.542 228 HD3 ARG 32 3HD ARG 32 -4.586 -6.909 0.051 229 HE ARG 32 HE ARG 32 -5.674 -8.819 -1.847 230 HH11 ARG 32 1HH1 ARG 32 -7.343 -10.651 0.648 231 HH12 ARG 32 2HH1 ARG 32 -7.226 -10.352 -1.049 232 HH21 ARG 32 1HH2 ARG 32 -5.914 -9.504 2.168 233 HH22 ARG 32 2HH2 ARG 32 -4.703 -8.460 1.509 234 H LEU 33 H LEU 33 -2.196 -6.083 0.298 235 HA LEU 33 HA LEU 33 -0.154 -8.032 1.122 236 HB2 LEU 33 2HB LEU 33 -0.270 -6.198 3.178 237 HB3 LEU 33 3HB LEU 33 1.002 -6.242 1.968 238 HG LEU 33 HG LEU 33 -1.512 -4.635 1.469 239 HD11 LEU 33 1HD1 LEU 33 -0.820 -4.033 3.717 240 HD12 LEU 33 2HD1 LEU 33 0.840 -3.721 3.171 241 HD13 LEU 33 3HD1 LEU 33 -0.514 -2.717 2.591 242 HD21 LEU 33 1HD2 LEU 33 0.325 -4.834 -0.317 243 HD22 LEU 33 2HD2 LEU 33 0.078 -3.180 0.252 244 HD23 LEU 33 3HD2 LEU 33 1.450 -4.151 0.855 245 HA PRO 34 HA PRO 34 -3.335 -9.888 3.269 246 HB2 PRO 34 2HB PRO 34 -2.446 -10.365 5.862 247 HB3 PRO 34 3HB PRO 34 -1.979 -11.285 4.400 248 HG2 PRO 34 2HG PRO 34 -0.479 -9.097 5.803 249 HG3 PRO 34 3HG PRO 34 0.152 -10.591 5.031 250 HD2 PRO 34 2HD PRO 34 0.211 -8.069 3.907 251 HD3 PRO 34 3HD PRO 34 0.212 -9.524 2.922 252 H CYS 35 H CYS 35 -2.159 -7.001 4.893 253 HA CYS 35 HA CYS 35 -4.361 -6.278 6.603 254 HB2 CYS 35 2HB CYS 35 -1.970 -5.413 6.450 255 HB3 CYS 35 3HB CYS 35 -2.512 -4.518 5.019 256 H MET 36 H MET 36 -4.804 -6.971 3.384 257 HA MET 36 HA MET 36 -6.240 -6.312 1.754 258 HB2 MET 36 2HB MET 36 -7.793 -5.385 4.210 259 HB3 MET 36 3HB MET 36 -8.489 -5.535 2.600 260 HG2 MET 36 2HG MET 36 -7.188 -7.901 3.988 261 HG3 MET 36 3HG MET 36 -8.861 -7.431 4.261 262 HE1 MET 36 1HE MET 36 -10.010 -10.272 2.122 263 HE2 MET 36 2HE MET 36 -8.842 -10.284 3.467 264 HE3 MET 36 3HE MET 36 -10.275 -9.232 3.535 265 H HIS 37 H HIS 37 -4.123 -4.469 2.270 266 HA HIS 37 HA HIS 37 -5.412 -1.845 1.713 267 HB2 HIS 37 1HB HIS 37 -3.378 -2.765 3.701 268 HB3 HIS 37 2HB HIS 37 -2.956 -1.305 2.862 269 HD2 HIS 37 2HD HIS 37 -6.245 -0.375 2.835 270 HE1 HIS 37 1HE HIS 37 -5.447 0.380 6.926 271 HE2 HIS 37 2HE HIS 37 -7.040 0.827 4.978 272 H LEU 38 H LEU 38 -5.297 -1.972 -0.530 273 HA LEU 38 HA LEU 38 -2.891 -2.867 -1.854 274 HB2 LEU 38 2HB LEU 38 -3.802 -2.244 -3.905 275 HB3 LEU 38 3HB LEU 38 -5.107 -2.975 -3.000 276 HG LEU 38 HG LEU 38 -4.854 0.074 -3.177 277 HD11 LEU 38 1HD1 LEU 38 -4.676 -0.663 -5.438 278 HD12 LEU 38 2HD1 LEU 38 -6.065 -1.762 -5.249 279 HD13 LEU 38 3HD1 LEU 38 -6.282 0.003 -5.162 280 HD21 LEU 38 1HD2 LEU 38 -6.545 -0.770 -1.607 281 HD22 LEU 38 2HD2 LEU 38 -7.317 -0.057 -3.022 282 HD23 LEU 38 3HD2 LEU 38 -7.220 -1.821 -2.882 283 H PHE 39 H PHE 39 -1.119 -1.724 -2.579 284 HA PHE 39 HA PHE 39 -1.084 1.232 -2.333 285 HB2 PHE 39 2HB PHE 39 0.767 -0.725 -0.932 286 HB3 PHE 39 3HB PHE 39 1.102 0.995 -1.077 287 HD1 PHE 39 1HD PHE 39 -1.910 1.813 -0.402 288 HD2 PHE 39 2HD PHE 39 0.926 -0.806 1.481 289 HE1 PHE 39 1HE PHE 39 -3.093 2.098 1.729 290 HE2 PHE 39 2HE PHE 39 -0.223 -0.459 3.647 291 HZ PHE 39 HZ PHE 39 -2.233 0.978 3.783 292 H HIS 40 H HIS 40 0.731 2.157 -3.601 293 HA HIS 40 HA HIS 40 1.008 0.979 -6.127 294 HB2 HIS 40 1HB HIS 40 2.854 2.924 -4.723 295 HB3 HIS 40 2HB HIS 40 3.087 2.447 -6.390 296 HD2 HIS 40 2HD HIS 40 0.957 3.002 -8.143 297 HE1 HIS 40 1HE HIS 40 0.280 6.693 -6.133 298 HE2 HIS 40 2HE HIS 40 -0.069 5.339 -8.342 299 H GLN 41 H GLN 41 2.683 -0.018 -7.267 300 HA GLN 41 HA GLN 41 4.367 -1.888 -5.861 301 HB2 GLN 41 2HB GLN 41 3.359 -1.400 -8.545 302 HB3 GLN 41 3HB GLN 41 5.080 -1.663 -8.644 303 HG2 GLN 41 2HG GLN 41 4.790 -3.730 -7.209 304 HG3 GLN 41 3HG GLN 41 3.044 -3.427 -7.226 305 HE21 GLN 41 1HE2 GLN 41 1.820 -4.133 -9.061 306 HE22 GLN 41 2HE2 GLN 41 2.614 -4.839 -10.463 307 H VAL 42 H VAL 42 4.912 1.115 -5.561 308 HA VAL 42 HA VAL 42 7.861 0.890 -5.848 309 HB VAL 42 HB VAL 42 6.186 3.362 -6.481 310 HG11 VAL 42 1HG1 VAL 42 9.213 2.996 -6.364 311 HG12 VAL 42 2HG1 VAL 42 8.376 4.425 -7.013 312 HG13 VAL 42 3HG1 VAL 42 8.235 4.029 -5.296 313 HG21 VAL 42 1HG2 VAL 42 7.999 1.616 -8.205 314 HG22 VAL 42 2HG2 VAL 42 6.236 1.774 -8.352 315 HG23 VAL 42 3HG2 VAL 42 7.275 3.156 -8.722 316 H CYS 43 H CYS 43 5.326 3.057 -4.445 317 HA CYS 43 HA CYS 43 6.452 3.756 -1.995 318 HB2 CYS 43 2HB CYS 43 3.579 2.860 -2.420 319 HB3 CYS 43 3HB CYS 43 4.211 4.009 -1.249 320 H VAL 44 H VAL 44 4.434 0.826 -2.624 321 HA VAL 44 HA VAL 44 4.917 -0.093 0.049 322 HB VAL 44 HB VAL 44 2.871 -0.435 -1.545 323 HG11 VAL 44 1HG1 VAL 44 4.279 -3.103 -1.902 324 HG12 VAL 44 2HG1 VAL 44 2.702 -2.579 -2.542 325 HG13 VAL 44 3HG1 VAL 44 4.210 -1.887 -3.186 326 HG21 VAL 44 1HG2 VAL 44 3.094 -1.055 0.840 327 HG22 VAL 44 2HG2 VAL 44 2.249 -2.317 -0.086 328 HG23 VAL 44 3HG2 VAL 44 3.953 -2.535 0.370 329 H ASP 45 H ASP 45 6.541 -0.508 -2.941 330 HA ASP 45 HA ASP 45 7.778 -3.056 -2.441 331 HB2 ASP 45 2HB ASP 45 7.703 -1.845 -4.656 332 HB3 ASP 45 3HB ASP 45 8.934 -0.731 -4.042 333 H GLN 46 H GLN 46 8.993 0.318 -2.038 334 HA GLN 46 HA GLN 46 11.170 -0.566 -0.369 335 HB2 GLN 46 2HB GLN 46 9.957 2.198 -0.783 336 HB3 GLN 46 3HB GLN 46 11.373 1.874 0.238 337 HG2 GLN 46 2HG GLN 46 12.529 0.831 -1.716 338 HG3 GLN 46 3HG GLN 46 11.152 1.270 -2.742 339 HE21 GLN 46 1HE2 GLN 46 12.810 2.495 -4.029 340 HE22 GLN 46 2HE2 GLN 46 13.275 4.085 -3.430 341 H ALA 47 H ALA 47 7.805 0.163 0.398 342 HA ALA 47 HA ALA 47 8.228 0.454 3.207 343 HB1 ALA 47 1HB ALA 47 5.865 -0.837 1.814 344 HB2 ALA 47 2HB ALA 47 5.885 -0.099 3.429 345 HB3 ALA 47 3HB ALA 47 6.116 0.921 1.985 346 H LEU 48 H LEU 48 7.430 -2.503 1.302 347 HA LEU 48 HA LEU 48 7.464 -4.346 3.406 348 HB2 LEU 48 2HB LEU 48 6.546 -4.670 1.134 349 HB3 LEU 48 3HB LEU 48 8.166 -4.732 0.453 350 HG LEU 48 HG LEU 48 7.169 -6.706 2.564 351 HD11 LEU 48 1HD1 LEU 48 6.680 -8.231 0.698 352 HD12 LEU 48 2HD1 LEU 48 5.711 -6.758 0.559 353 HD13 LEU 48 3HD1 LEU 48 7.144 -6.970 -0.470 354 HD21 LEU 48 1HD2 LEU 48 8.911 -8.192 1.448 355 HD22 LEU 48 2HD2 LEU 48 9.519 -6.743 0.623 356 HD23 LEU 48 3HD2 LEU 48 9.568 -6.875 2.400 357 H ILE 49 H ILE 49 10.144 -3.499 1.103 358 HA ILE 49 HA ILE 49 12.006 -5.182 2.464 359 HB ILE 49 HB ILE 49 13.717 -4.169 1.159 360 HG12 ILE 49 2HG1 ILE 49 12.757 -2.151 -0.395 361 HG13 ILE 49 3HG1 ILE 49 11.959 -1.827 1.154 362 HG21 ILE 49 1HG2 ILE 49 12.875 -4.490 -1.073 363 HG22 ILE 49 2HG2 ILE 49 12.085 -5.654 0.006 364 HG23 ILE 49 3HG2 ILE 49 11.209 -4.218 -0.559 365 HD11 ILE 49 1HD1 ILE 49 14.244 -1.971 2.260 366 HD12 ILE 49 2HD1 ILE 49 14.937 -2.043 0.629 367 HD13 ILE 49 3HD1 ILE 49 14.022 -0.611 1.146 368 H THR 50 H THR 50 10.947 -1.849 3.159 369 HA THR 50 HA THR 50 13.105 -1.243 4.938 370 HB THR 50 HB THR 50 10.313 -0.163 4.515 371 HG1 THR 50 1HG THR 50 11.849 0.572 3.175 372 HG21 THR 50 1HG2 THR 50 10.488 0.046 6.911 373 HG22 THR 50 2HG2 THR 50 12.161 0.654 6.777 374 HG23 THR 50 3HG2 THR 50 10.794 1.619 6.169 375 H ASN 51 H ASN 51 9.897 -2.810 5.361 376 HA ASN 51 HA ASN 51 10.919 -4.546 7.297 377 HB2 ASN 51 2HB ASN 51 9.999 -2.047 8.452 378 HB3 ASN 51 3HB ASN 51 8.813 -3.292 8.835 379 HD21 ASN 51 1HD2 ASN 51 11.889 -2.041 9.680 380 HD22 ASN 51 2HD2 ASN 51 12.283 -3.307 10.833 381 H LYS 52 H LYS 52 9.655 -6.314 7.052 382 HA LYS 52 HA LYS 52 7.200 -6.359 5.571 383 HB2 LYS 52 2HB LYS 52 7.080 -8.676 6.474 384 HB3 LYS 52 3HB LYS 52 8.528 -8.285 5.558 385 HG2 LYS 52 2HG LYS 52 9.904 -8.780 7.287 386 HG3 LYS 52 3HG LYS 52 8.984 -7.765 8.424 387 HD2 LYS 52 2HD LYS 52 7.277 -9.495 8.553 388 HD3 LYS 52 3HD LYS 52 8.261 -10.574 7.562 389 HE2 LYS 52 2HE LYS 52 8.877 -11.354 9.587 390 HE3 LYS 52 3HE LYS 52 10.063 -10.036 9.476 391 HZ1 LYS 52 1HZ LYS 52 8.407 -8.670 10.684 392 HZ2 LYS 52 2HZ LYS 52 7.415 -9.976 10.773 393 HZ3 LYS 52 3HZ LYS 52 8.852 -10.002 11.578 394 H LYS 53 H LYS 53 5.993 -4.605 6.616 395 HA LYS 53 HA LYS 53 4.019 -5.799 8.351 396 HB2 LYS 53 2HB LYS 53 4.097 -4.076 10.093 397 HB3 LYS 53 3HB LYS 53 5.631 -4.946 10.027 398 HG2 LYS 53 2HG LYS 53 6.486 -3.010 8.531 399 HG3 LYS 53 3HG LYS 53 5.023 -2.139 9.014 400 HD2 LYS 53 2HD LYS 53 5.684 -2.398 11.402 401 HD3 LYS 53 3HD LYS 53 7.166 -3.239 10.880 402 HE2 LYS 53 2HE LYS 53 7.775 -1.226 9.510 403 HE3 LYS 53 3HE LYS 53 6.346 -0.394 10.135 404 HZ1 LYS 53 1HZ LYS 53 7.279 -0.602 12.353 405 HZ2 LYS 53 2HZ LYS 53 8.612 -1.368 11.761 406 HZ3 LYS 53 3HZ LYS 53 8.317 0.199 11.362 407 H CYS 54 H CYS 54 1.974 -4.726 7.966 408 HA CYS 54 HA CYS 54 1.863 -2.841 5.694 409 HB2 CYS 54 2HB CYS 54 0.132 -4.477 5.933 410 HB3 CYS 54 3HB CYS 54 -0.258 -3.942 7.557 411 HA PRO 55 HA PRO 55 2.248 0.651 8.579 412 HB2 PRO 55 2HB PRO 55 1.918 2.682 6.778 413 HB3 PRO 55 3HB PRO 55 3.439 1.741 6.890 414 HG2 PRO 55 2HG PRO 55 1.143 1.344 4.954 415 HG3 PRO 55 3HG PRO 55 2.898 1.421 4.595 416 HD2 PRO 55 2HD PRO 55 1.542 -0.929 4.887 417 HD3 PRO 55 3HD PRO 55 3.248 -0.763 5.407 418 H ILE 56 H ILE 56 0.626 1.525 9.726 419 HA ILE 56 HA ILE 56 -1.389 1.532 10.639 420 HB ILE 56 HB ILE 56 -2.379 2.596 7.981 421 HG12 ILE 56 2HG1 ILE 56 -2.216 4.731 9.637 422 HG13 ILE 56 3HG1 ILE 56 -0.942 3.782 10.381 423 HG21 ILE 56 1HG2 ILE 56 -4.198 1.809 9.500 424 HG22 ILE 56 2HG2 ILE 56 -3.496 2.767 10.825 425 HG23 ILE 56 3HG2 ILE 56 -4.164 3.572 9.392 426 HD11 ILE 56 1HD1 ILE 56 0.259 3.742 8.179 427 HD12 ILE 56 2HD1 ILE 56 -1.080 4.665 7.463 428 HD13 ILE 56 3HD1 ILE 56 -0.073 5.387 8.731 429 H CYS 57 H CYS 57 -1.590 -0.357 11.236 430 HA CYS 57 HA CYS 57 -3.411 -2.379 10.894 431 HB2 CYS 57 2HB CYS 57 -1.093 -2.671 8.991 432 HB3 CYS 57 3HB CYS 57 -1.833 -4.084 9.773 433 H ARG 58 H ARG 58 0.152 -2.375 10.720 434 HA ARG 58 HA ARG 58 1.761 -3.264 12.057 435 HB2 ARG 58 2HB ARG 58 0.595 -1.936 13.959 436 HB3 ARG 58 3HB ARG 58 -0.138 -3.480 14.412 437 HG2 ARG 58 2HG ARG 58 2.294 -4.426 14.413 438 HG3 ARG 58 3HG ARG 58 2.798 -2.727 14.346 439 HD2 ARG 58 2HD ARG 58 1.287 -2.354 16.387 440 HD3 ARG 58 3HD ARG 58 1.146 -4.123 16.487 441 HE ARG 58 HE ARG 58 3.880 -3.518 16.336 442 HH11 ARG 58 1HH1 ARG 58 4.531 -2.967 19.762 443 HH12 ARG 58 2HH1 ARG 58 5.240 -3.227 18.212 444 HH21 ARG 58 1HH2 ARG 58 2.167 -2.859 19.980 445 HH22 ARG 58 2HH2 ARG 58 1.195 -3.066 18.566 446 H VAL 59 H VAL 59 0.708 -4.872 10.262 447 HA VAL 59 HA VAL 59 0.510 -7.468 11.669 448 HB VAL 59 HB VAL 59 -1.171 -6.632 9.262 449 HG11 VAL 59 1HG1 VAL 59 -0.639 -8.970 9.047 450 HG12 VAL 59 2HG1 VAL 59 -0.890 -9.260 10.785 451 HG13 VAL 59 3HG1 VAL 59 -2.266 -8.897 9.727 452 HG21 VAL 59 1HG2 VAL 59 -3.105 -6.953 10.777 453 HG22 VAL 59 2HG2 VAL 59 -2.000 -7.296 12.130 454 HG23 VAL 59 3HG2 VAL 59 -2.055 -5.683 11.403 455 H ASP 60 H ASP 60 1.555 -9.134 10.520 456 HA ASP 60 HA ASP 60 3.861 -8.239 9.015 457 HB2 ASP 60 2HB ASP 60 3.625 -10.178 10.722 458 HB3 ASP 60 3HB ASP 60 2.935 -11.109 9.390 459 H ILE 61 H ILE 61 4.306 -8.748 6.829 460 HA ILE 61 HA ILE 61 1.980 -9.566 5.167 461 HB ILE 61 HB ILE 61 2.595 -7.917 3.564 462 HG12 ILE 61 2HG1 ILE 61 4.677 -6.793 5.485 463 HG13 ILE 61 3HG1 ILE 61 5.123 -7.928 4.203 464 HG21 ILE 61 1HG2 ILE 61 1.721 -6.019 4.676 465 HG22 ILE 61 2HG2 ILE 61 1.160 -7.364 5.685 466 HG23 ILE 61 3HG2 ILE 61 2.564 -6.434 6.197 467 HD11 ILE 61 1HD1 ILE 61 4.094 -6.552 2.529 468 HD12 ILE 61 2HD1 ILE 61 3.647 -5.335 3.751 469 HD13 ILE 61 3HD1 ILE 61 5.367 -5.651 3.417 470 H GLU 62 H GLU 62 5.173 -10.231 5.926 471 HA GLU 62 HA GLU 62 6.221 -11.156 3.427 472 HB2 GLU 62 2HB GLU 62 7.401 -10.727 5.608 473 HB3 GLU 62 3HB GLU 62 6.736 -12.249 6.220 474 HG2 GLU 62 2HG GLU 62 7.989 -13.395 4.307 475 HG3 GLU 62 3HG GLU 62 8.706 -11.823 3.933 476 H ALA 63 H ALA 63 6.554 -13.568 2.940 477 HA ALA 63 HA ALA 63 4.196 -15.203 3.675 478 HB1 ALA 63 1HB ALA 63 3.778 -14.228 1.435 479 HB2 ALA 63 2HB ALA 63 5.358 -14.824 0.875 480 HB3 ALA 63 3HB ALA 63 4.078 -15.976 1.318 481 H GLN 64 H GLN 64 4.731 -17.582 3.188 482 HA GLN 64 HA GLN 64 7.154 -18.249 4.511 483 HB2 GLN 64 2HB GLN 64 5.139 -19.852 2.901 484 HB3 GLN 64 3HB GLN 64 6.613 -20.597 3.534 485 HG2 GLN 64 2HG GLN 64 6.012 -19.829 5.826 486 HG3 GLN 64 3HG GLN 64 4.463 -19.238 5.198 487 HE21 GLN 64 1HE2 GLN 64 5.682 -21.790 6.908 488 HE22 GLN 64 2HE2 GLN 64 4.644 -23.053 6.262 489 H LEU 65 H LEU 65 8.932 -17.265 3.474 490 HA LEU 65 HA LEU 65 10.020 -18.922 1.308 491 HB2 LEU 65 2HB LEU 65 8.770 -17.060 0.246 492 HB3 LEU 65 3HB LEU 65 9.735 -15.882 1.130 493 HG LEU 65 HG LEU 65 11.195 -17.955 -0.508 494 HD11 LEU 65 1HD1 LEU 65 9.731 -15.576 -1.722 495 HD12 LEU 65 2HD1 LEU 65 10.892 -16.629 -2.568 496 HD13 LEU 65 3HD1 LEU 65 9.356 -17.295 -1.993 497 HD21 LEU 65 1HD2 LEU 65 12.497 -16.258 0.721 498 HD22 LEU 65 2HD2 LEU 65 12.657 -15.997 -1.016 499 HD23 LEU 65 3HD2 LEU 65 11.580 -14.956 -0.060 500 HA PRO 66 HA PRO 66 13.122 -18.134 4.479 501 HB2 PRO 66 2HB PRO 66 15.181 -19.675 3.502 502 HB3 PRO 66 3HB PRO 66 13.734 -20.355 4.307 503 HG2 PRO 66 2HG PRO 66 14.256 -20.084 1.334 504 HG3 PRO 66 3HG PRO 66 13.635 -21.509 2.227 505 HD2 PRO 66 2HD PRO 66 11.987 -19.773 0.916 506 HD3 PRO 66 3HD PRO 66 11.493 -20.541 2.459 507 H SER 67 H SER 67 14.135 -16.188 4.528 508 HA SER 67 HA SER 67 16.095 -15.500 2.478 509 HB2 SER 67 2HB SER 67 14.062 -14.728 1.382 510 HB3 SER 67 3HB SER 67 13.574 -13.821 2.826 511 HG SER 67 HG SER 67 16.107 -13.263 1.814 512 H GLU 68 H GLU 68 14.148 -14.147 5.219 513 HA GLU 68 HA GLU 68 14.760 -12.959 7.050 514 HB2 GLU 68 2HB GLU 68 17.078 -14.913 6.868 515 HB3 GLU 68 3HB GLU 68 16.713 -13.922 8.291 516 HG2 GLU 68 2HG GLU 68 14.582 -14.975 8.614 517 HG3 GLU 68 3HG GLU 68 14.656 -15.794 7.051 518 H SER 69 H SER 69 15.042 -11.160 5.234 519 HA SER 69 HA SER 69 17.336 -9.650 6.055 520 HB2 SER 69 2HB SER 69 18.246 -11.002 4.122 521 HB3 SER 69 3HB SER 69 16.973 -10.299 3.098 522 HG SER 69 HG SER 69 17.836 -8.221 3.864 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -25.525 46.297 -5.035 2 H2 MET 1 H2 MET 1 -26.078 46.653 -6.556 3 H3 MET 1 H3 MET 1 -27.069 45.948 -5.428 4 HA MET 1 HA MET 1 -26.382 44.324 -7.024 5 HB2 MET 1 2HB MET 1 -23.674 45.409 -6.273 6 HB3 MET 1 3HB MET 1 -23.800 43.683 -6.570 7 HG2 MET 1 2HG MET 1 -25.227 44.522 -8.692 8 HG3 MET 1 3HG MET 1 -24.205 45.943 -8.472 9 HE1 MET 1 1HE MET 1 -22.858 41.653 -9.608 10 HE2 MET 1 2HE MET 1 -23.582 41.980 -8.024 11 HE3 MET 1 3HE MET 1 -24.534 42.229 -9.509 12 H LYS 2 H LYS 2 -25.029 42.150 -6.093 13 HA LYS 2 HA LYS 2 -25.580 41.847 -3.246 14 HB2 LYS 2 2HB LYS 2 -26.787 39.745 -3.611 15 HB3 LYS 2 3HB LYS 2 -27.648 41.083 -4.384 16 HG2 LYS 2 2HG LYS 2 -26.366 40.391 -6.548 17 HG3 LYS 2 3HG LYS 2 -26.008 38.883 -5.710 18 HD2 LYS 2 2HD LYS 2 -28.844 39.955 -6.123 19 HD3 LYS 2 3HD LYS 2 -27.998 38.959 -7.296 20 HE2 LYS 2 2HE LYS 2 -29.328 37.443 -6.146 21 HE3 LYS 2 3HE LYS 2 -27.697 37.181 -5.519 22 HZ1 LYS 2 1HZ LYS 2 -28.312 38.423 -3.565 23 HZ2 LYS 2 2HZ LYS 2 -29.807 38.766 -4.181 24 HZ3 LYS 2 3HZ LYS 2 -29.397 37.220 -3.805 25 H GLN 3 H GLN 3 -24.660 39.416 -2.792 26 HA GLN 3 HA GLN 3 -22.240 38.981 -4.430 27 HB2 GLN 3 2HB GLN 3 -20.951 38.515 -2.409 28 HB3 GLN 3 3HB GLN 3 -21.551 40.176 -2.377 29 HG2 GLN 3 2HG GLN 3 -23.390 39.487 -0.846 30 HG3 GLN 3 3HG GLN 3 -22.810 37.813 -0.901 31 HE21 GLN 3 1HE2 GLN 3 -22.581 37.917 1.478 32 HE22 GLN 3 2HE2 GLN 3 -21.173 38.751 2.121 33 H ASP 4 H ASP 4 -21.386 36.622 -3.579 34 HA ASP 4 HA ASP 4 -23.582 34.858 -2.905 35 HB2 ASP 4 2HB ASP 4 -23.304 35.345 -5.587 36 HB3 ASP 4 3HB ASP 4 -22.122 34.046 -5.396 37 H GLY 5 H GLY 5 -22.430 32.442 -3.031 38 HA2 GLY 5 2HA GLY 5 -19.553 32.596 -2.491 39 HA3 GLY 5 3HA GLY 5 -20.571 32.190 -1.093 40 H GLU 6 H GLU 6 -18.585 30.485 -2.593 41 HA GLU 6 HA GLU 6 -20.412 28.248 -3.258 42 HB2 GLU 6 2HB GLU 6 -18.073 29.351 -4.808 43 HB3 GLU 6 3HB GLU 6 -18.224 27.593 -4.682 44 HG2 GLU 6 2HG GLU 6 -20.564 27.725 -5.503 45 HG3 GLU 6 3HG GLU 6 -20.363 29.466 -5.763 46 H GLU 7 H GLU 7 -19.549 26.177 -2.622 47 HA GLU 7 HA GLU 7 -17.102 26.003 -1.151 48 HB2 GLU 7 2HB GLU 7 -18.705 26.767 0.617 49 HB3 GLU 7 3HB GLU 7 -19.800 25.451 0.183 50 HG2 GLU 7 2HG GLU 7 -18.681 24.035 1.531 51 HG3 GLU 7 3HG GLU 7 -17.202 24.282 0.609 52 H GLY 8 H GLY 8 -16.411 23.949 -1.650 53 HA2 GLY 8 2HA GLY 8 -18.317 21.910 -2.633 54 HA3 GLY 8 3HA GLY 8 -16.982 22.411 -3.700 55 H THR 9 H THR 9 -17.197 19.729 -2.731 56 HA THR 9 HA THR 9 -14.677 19.531 -1.339 57 HB THR 9 HB THR 9 -16.311 19.819 0.510 58 HG1 THR 9 1HG THR 9 -14.635 18.706 1.163 59 HG21 THR 9 1HG2 THR 9 -17.393 17.155 -0.465 60 HG22 THR 9 2HG2 THR 9 -17.880 18.026 1.006 61 HG23 THR 9 3HG2 THR 9 -18.235 18.718 -0.595 62 H GLU 10 H GLU 10 -14.231 17.003 -1.110 63 HA GLU 10 HA GLU 10 -15.446 15.453 -3.246 64 HB2 GLU 10 2HB GLU 10 -13.675 16.957 -4.323 65 HB3 GLU 10 3HB GLU 10 -12.464 16.104 -3.354 66 HG2 GLU 10 2HG GLU 10 -13.111 13.965 -4.418 67 HG3 GLU 10 3HG GLU 10 -14.403 14.781 -5.308 68 H GLU 11 H GLU 11 -14.845 13.131 -2.893 69 HA GLU 11 HA GLU 11 -13.499 12.665 -0.298 70 HB2 GLU 11 2HB GLU 11 -15.900 13.039 0.111 71 HB3 GLU 11 3HB GLU 11 -16.320 11.764 -1.041 72 HG2 GLU 11 2HG GLU 11 -15.386 10.056 0.349 73 HG3 GLU 11 3HG GLU 11 -14.475 11.226 1.313 74 H ASP 12 H ASP 12 -11.946 11.194 -0.755 75 HA ASP 12 HA ASP 12 -12.641 8.714 -2.100 76 HB2 ASP 12 2HB ASP 12 -11.950 10.239 -3.992 77 HB3 ASP 12 3HB ASP 12 -10.393 10.473 -3.191 78 H THR 13 H THR 13 -11.804 7.305 -0.611 79 HA THR 13 HA THR 13 -9.004 7.717 0.225 80 HB THR 13 HB THR 13 -11.010 7.104 2.414 81 HG1 THR 13 1HG THR 13 -10.351 9.586 1.298 82 HG21 THR 13 1HG2 THR 13 -8.579 6.788 2.919 83 HG22 THR 13 2HG2 THR 13 -8.271 8.465 2.417 84 HG23 THR 13 3HG2 THR 13 -9.274 8.126 3.843 85 H GLU 14 H GLU 14 -11.007 5.690 -1.300 86 HA GLU 14 HA GLU 14 -10.780 3.308 0.285 87 HB2 GLU 14 2HB GLU 14 -11.620 3.916 -2.590 88 HB3 GLU 14 3HB GLU 14 -11.505 2.278 -1.962 89 HG2 GLU 14 2HG GLU 14 -13.714 2.685 -1.573 90 HG3 GLU 14 3HG GLU 14 -13.038 3.124 -0.012 91 H GLU 15 H GLU 15 -9.202 4.473 -2.717 92 HA GLU 15 HA GLU 15 -7.108 2.380 -2.302 93 HB2 GLU 15 2HB GLU 15 -6.825 2.475 -4.768 94 HB3 GLU 15 3HB GLU 15 -8.333 1.767 -4.203 95 HG2 GLU 15 2HG GLU 15 -9.636 3.609 -4.893 96 HG3 GLU 15 3HG GLU 15 -8.251 4.681 -5.033 97 H LYS 16 H LYS 16 -6.241 4.056 -0.797 98 HA LYS 16 HA LYS 16 -4.701 6.042 -2.349 99 HB2 LYS 16 2HB LYS 16 -6.313 6.808 -0.512 100 HB3 LYS 16 3HB LYS 16 -5.180 6.097 0.665 101 HG2 LYS 16 2HG LYS 16 -3.382 7.484 -0.218 102 HG3 LYS 16 3HG LYS 16 -4.450 8.078 -1.496 103 HD2 LYS 16 2HD LYS 16 -5.610 8.602 1.141 104 HD3 LYS 16 3HD LYS 16 -3.981 9.283 0.986 105 HE2 LYS 16 2HE LYS 16 -4.805 10.115 -1.362 106 HE3 LYS 16 3HE LYS 16 -6.434 9.840 -0.718 107 HZ1 LYS 16 1HZ LYS 16 -5.785 11.345 1.117 108 HZ2 LYS 16 2HZ LYS 16 -4.326 11.600 0.360 109 HZ3 LYS 16 3HZ LYS 16 -5.728 12.085 -0.353 110 H CYS 17 H CYS 17 -2.709 5.831 -2.508 111 HA CYS 17 HA CYS 17 -0.837 3.838 -1.335 112 HB2 CYS 17 2HB CYS 17 -0.563 5.095 -3.509 113 HB3 CYS 17 3HB CYS 17 -0.462 6.555 -2.586 114 H THR 18 H THR 18 -1.378 3.993 0.998 115 HA THR 18 HA THR 18 -1.481 6.522 2.251 116 HB THR 18 HB THR 18 -2.220 4.300 3.214 117 HG1 THR 18 1HG THR 18 -0.699 6.183 4.688 118 HG21 THR 18 1HG2 THR 18 -0.673 3.022 4.462 119 HG22 THR 18 2HG2 THR 18 0.114 3.264 2.880 120 HG23 THR 18 3HG2 THR 18 0.626 4.218 4.282 121 H ILE 19 H ILE 19 1.255 4.900 0.913 122 HA ILE 19 HA ILE 19 3.265 5.870 2.699 123 HB ILE 19 HB ILE 19 3.203 4.648 -0.067 124 HG12 ILE 19 2HG1 ILE 19 4.436 3.272 2.291 125 HG13 ILE 19 3HG1 ILE 19 2.684 3.454 2.357 126 HG21 ILE 19 1HG2 ILE 19 5.559 5.418 1.673 127 HG22 ILE 19 2HG2 ILE 19 5.675 4.274 0.314 128 HG23 ILE 19 3HG2 ILE 19 5.195 5.964 0.022 129 HD11 ILE 19 1HD1 ILE 19 3.285 1.344 1.276 130 HD12 ILE 19 2HD1 ILE 19 2.438 2.431 0.153 131 HD13 ILE 19 3HD1 ILE 19 4.202 2.231 0.035 132 H CYS 20 H CYS 20 2.072 6.840 -0.603 133 HA CYS 20 HA CYS 20 3.520 9.482 -0.358 134 HB2 CYS 20 2HB CYS 20 3.072 9.661 -2.723 135 HB3 CYS 20 3HB CYS 20 4.036 8.228 -2.347 136 H LEU 21 H LEU 21 0.717 8.203 0.679 137 HA LEU 21 HA LEU 21 -1.361 8.856 1.136 138 HB2 LEU 21 2HB LEU 21 0.083 11.503 1.442 139 HB3 LEU 21 3HB LEU 21 -1.542 11.188 2.061 140 HG LEU 21 HG LEU 21 0.860 9.481 2.840 141 HD11 LEU 21 1HD1 LEU 21 -0.334 11.859 4.296 142 HD12 LEU 21 2HD1 LEU 21 0.928 10.760 4.914 143 HD13 LEU 21 3HD1 LEU 21 1.265 11.785 3.508 144 HD21 LEU 21 1HD2 LEU 21 -0.581 8.839 4.732 145 HD22 LEU 21 2HD2 LEU 21 -1.885 9.887 4.128 146 HD23 LEU 21 3HD2 LEU 21 -1.377 8.454 3.209 147 H SER 22 H SER 22 -0.864 8.709 -1.646 148 HA SER 22 HA SER 22 -2.661 10.843 -2.709 149 HB2 SER 22 2HB SER 22 -0.078 10.810 -3.274 150 HB3 SER 22 3HB SER 22 -0.537 9.487 -4.365 151 HG SER 22 HG SER 22 -1.137 12.199 -4.446 152 H ILE 23 H ILE 23 -4.176 10.134 -4.420 153 HA ILE 23 HA ILE 23 -5.089 7.443 -4.000 154 HB ILE 23 HB ILE 23 -5.871 9.811 -5.723 155 HG12 ILE 23 2HG1 ILE 23 -6.285 10.016 -3.286 156 HG13 ILE 23 3HG1 ILE 23 -7.754 10.013 -4.239 157 HG21 ILE 23 1HG2 ILE 23 -6.583 8.029 -7.047 158 HG22 ILE 23 2HG2 ILE 23 -7.158 7.069 -5.676 159 HG23 ILE 23 3HG2 ILE 23 -8.013 8.552 -6.164 160 HD11 ILE 23 1HD1 ILE 23 -8.087 8.653 -2.249 161 HD12 ILE 23 2HD1 ILE 23 -8.087 7.578 -3.656 162 HD13 ILE 23 3HD1 ILE 23 -6.663 7.672 -2.613 163 H LEU 24 H LEU 24 -5.348 5.900 -5.598 164 HA LEU 24 HA LEU 24 -3.097 5.633 -7.484 165 HB2 LEU 24 2HB LEU 24 -5.251 3.722 -6.443 166 HB3 LEU 24 3HB LEU 24 -3.826 3.242 -7.375 167 HG LEU 24 HG LEU 24 -3.703 4.563 -4.616 168 HD11 LEU 24 1HD1 LEU 24 -3.182 2.506 -3.690 169 HD12 LEU 24 2HD1 LEU 24 -4.598 2.202 -4.706 170 HD13 LEU 24 3HD1 LEU 24 -2.989 1.715 -5.285 171 HD21 LEU 24 1HD2 LEU 24 -1.292 3.631 -4.909 172 HD22 LEU 24 2HD2 LEU 24 -1.688 3.625 -6.640 173 HD23 LEU 24 3HD2 LEU 24 -1.759 5.152 -5.727 174 H GLU 25 H GLU 25 -4.567 3.750 -9.141 175 HA GLU 25 HA GLU 25 -7.095 4.857 -9.802 176 HB2 GLU 25 2HB GLU 25 -6.770 5.259 -12.167 177 HB3 GLU 25 3HB GLU 25 -5.672 6.294 -11.239 178 HG2 GLU 25 2HG GLU 25 -3.806 4.783 -11.688 179 HG3 GLU 25 3HG GLU 25 -4.869 3.682 -12.587 180 H GLU 26 H GLU 26 -8.133 3.445 -11.593 181 HA GLU 26 HA GLU 26 -7.696 0.685 -10.812 182 HB2 GLU 26 2HB GLU 26 -9.951 1.672 -11.227 183 HB3 GLU 26 3HB GLU 26 -9.554 1.833 -12.947 184 HG2 GLU 26 2HG GLU 26 -9.207 -0.625 -13.097 185 HG3 GLU 26 3HG GLU 26 -9.533 -0.785 -11.369 186 H GLY 27 H GLY 27 -6.074 -0.494 -11.696 187 HA2 GLY 27 2HA GLY 27 -5.277 -1.729 -13.590 188 HA3 GLY 27 3HA GLY 27 -5.671 -0.371 -14.647 189 H GLU 28 H GLU 28 -4.078 0.576 -11.683 190 HA GLU 28 HA GLU 28 -1.675 1.265 -13.196 191 HB2 GLU 28 2HB GLU 28 -2.972 2.741 -11.593 192 HB3 GLU 28 3HB GLU 28 -2.399 1.721 -10.279 193 HG2 GLU 28 2HG GLU 28 -0.049 2.355 -10.871 194 HG3 GLU 28 3HG GLU 28 -0.671 3.351 -12.193 195 H ASP 29 H ASP 29 0.466 0.834 -12.202 196 HA ASP 29 HA ASP 29 0.864 -1.904 -11.399 197 HB2 ASP 29 2HB ASP 29 2.764 0.454 -11.243 198 HB3 ASP 29 3HB ASP 29 3.194 -1.253 -11.139 199 H VAL 30 H VAL 30 -0.097 -2.404 -9.490 200 HA VAL 30 HA VAL 30 0.868 -1.058 -7.038 201 HB VAL 30 HB VAL 30 -1.331 -1.019 -6.064 202 HG11 VAL 30 1HG1 VAL 30 -0.680 0.923 -7.541 203 HG12 VAL 30 2HG1 VAL 30 -1.605 0.164 -8.844 204 HG13 VAL 30 3HG1 VAL 30 -2.425 0.691 -7.374 205 HG21 VAL 30 1HG2 VAL 30 -2.384 -2.981 -7.021 206 HG22 VAL 30 2HG2 VAL 30 -3.368 -1.562 -7.407 207 HG23 VAL 30 3HG2 VAL 30 -2.328 -2.269 -8.654 208 H ARG 31 H ARG 31 0.138 -2.542 -5.092 209 HA ARG 31 HA ARG 31 -0.041 -5.354 -5.861 210 HB2 ARG 31 2HB ARG 31 2.253 -4.113 -4.349 211 HB3 ARG 31 3HB ARG 31 1.585 -5.569 -3.646 212 HG2 ARG 31 2HG ARG 31 1.874 -6.067 -6.464 213 HG3 ARG 31 3HG ARG 31 3.361 -5.308 -5.912 214 HD2 ARG 31 2HD ARG 31 2.260 -7.541 -4.238 215 HD3 ARG 31 3HD ARG 31 2.960 -7.937 -5.815 216 HE ARG 31 HE ARG 31 4.802 -6.244 -4.618 217 HH11 ARG 31 1HH1 ARG 31 6.816 -8.770 -3.220 218 HH12 ARG 31 2HH1 ARG 31 6.787 -7.160 -3.830 219 HH21 ARG 31 1HH2 ARG 31 4.824 -10.081 -3.245 220 HH22 ARG 31 2HH2 ARG 31 3.378 -9.377 -3.874 221 H ARG 32 H ARG 32 -0.785 -6.627 -3.937 222 HA ARG 32 HA ARG 32 -2.536 -4.939 -2.241 223 HB2 ARG 32 2HB ARG 32 -3.330 -6.763 -4.233 224 HB3 ARG 32 3HB ARG 32 -3.404 -7.733 -2.763 225 HG2 ARG 32 2HG ARG 32 -4.806 -5.089 -3.313 226 HG3 ARG 32 3HG ARG 32 -5.544 -6.686 -3.221 227 HD2 ARG 32 2HD ARG 32 -4.763 -6.787 -0.771 228 HD3 ARG 32 3HD ARG 32 -4.265 -5.123 -0.933 229 HE ARG 32 HE ARG 32 -6.447 -4.413 -0.886 230 HH11 ARG 32 1HH1 ARG 32 -9.461 -6.186 -0.678 231 HH12 ARG 32 2HH1 ARG 32 -8.687 -4.645 -0.547 232 HH21 ARG 32 1HH2 ARG 32 -8.125 -8.118 -1.138 233 HH22 ARG 32 2HH2 ARG 32 -6.425 -7.911 -1.367 234 H LEU 33 H LEU 33 -2.584 -5.629 0.001 235 HA LEU 33 HA LEU 33 -0.666 -7.733 0.698 236 HB2 LEU 33 2HB LEU 33 -0.837 -5.914 2.843 237 HB3 LEU 33 3HB LEU 33 0.549 -6.151 1.775 238 HG LEU 33 HG LEU 33 -1.754 -4.256 1.287 239 HD11 LEU 33 1HD1 LEU 33 0.992 -3.675 2.498 240 HD12 LEU 33 2HD1 LEU 33 -0.280 -2.482 2.139 241 HD13 LEU 33 3HD1 LEU 33 -0.549 -3.701 3.386 242 HD21 LEU 33 1HD2 LEU 33 -0.750 -3.903 -0.743 243 HD22 LEU 33 2HD2 LEU 33 0.665 -3.305 0.099 244 HD23 LEU 33 3HD2 LEU 33 0.578 -5.020 -0.326 245 HA PRO 34 HA PRO 34 -3.705 -9.745 2.747 246 HB2 PRO 34 2HB PRO 34 -2.879 -10.243 5.364 247 HB3 PRO 34 3HB PRO 34 -2.306 -11.097 3.902 248 HG2 PRO 34 2HG PRO 34 -0.952 -8.911 5.445 249 HG3 PRO 34 3HG PRO 34 -0.231 -10.305 4.579 250 HD2 PRO 34 2HD PRO 34 -0.348 -7.699 3.671 251 HD3 PRO 34 3HD PRO 34 -0.140 -9.074 2.593 252 H CYS 35 H CYS 35 -2.701 -6.858 4.631 253 HA CYS 35 HA CYS 35 -5.335 -6.650 5.988 254 HB2 CYS 35 2HB CYS 35 -4.368 -4.883 7.079 255 HB3 CYS 35 3HB CYS 35 -3.100 -6.085 6.974 256 H MET 36 H MET 36 -5.375 -6.725 3.064 257 HA MET 36 HA MET 36 -6.416 -5.882 1.386 258 HB2 MET 36 2HB MET 36 -8.565 -4.715 1.825 259 HB3 MET 36 3HB MET 36 -8.305 -6.219 2.701 260 HG2 MET 36 2HG MET 36 -7.791 -4.994 4.743 261 HG3 MET 36 3HG MET 36 -7.940 -3.446 3.892 262 HE1 MET 36 1HE MET 36 -10.953 -3.893 6.500 263 HE2 MET 36 2HE MET 36 -9.312 -4.565 6.625 264 HE3 MET 36 3HE MET 36 -9.545 -2.887 6.080 265 H HIS 37 H HIS 37 -4.303 -3.912 2.725 266 HA HIS 37 HA HIS 37 -5.187 -1.384 1.625 267 HB2 HIS 37 1HB HIS 37 -3.014 -2.440 3.407 268 HB3 HIS 37 2HB HIS 37 -2.672 -0.965 2.557 269 HD2 HIS 37 2HD HIS 37 -5.074 0.801 2.670 270 HE1 HIS 37 1HE HIS 37 -5.086 0.281 6.896 271 HE2 HIS 37 2HE HIS 37 -5.910 1.746 4.964 272 H LEU 38 H LEU 38 -5.184 -1.829 -0.711 273 HA LEU 38 HA LEU 38 -2.741 -2.655 -1.999 274 HB2 LEU 38 2HB LEU 38 -3.640 -2.074 -4.076 275 HB3 LEU 38 3HB LEU 38 -4.934 -2.818 -3.158 276 HG LEU 38 HG LEU 38 -4.715 0.220 -3.381 277 HD11 LEU 38 1HD1 LEU 38 -4.626 -0.598 -5.638 278 HD12 LEU 38 2HD1 LEU 38 -5.991 -1.702 -5.345 279 HD13 LEU 38 3HD1 LEU 38 -6.230 0.058 -5.321 280 HD21 LEU 38 1HD2 LEU 38 -6.333 -0.570 -1.722 281 HD22 LEU 38 2HD2 LEU 38 -7.186 0.042 -3.130 282 HD23 LEU 38 3HD2 LEU 38 -7.033 -1.707 -2.912 283 H PHE 39 H PHE 39 -1.017 -1.518 -2.858 284 HA PHE 39 HA PHE 39 -0.924 1.429 -2.603 285 HB2 PHE 39 2HB PHE 39 0.973 -0.564 -1.317 286 HB3 PHE 39 3HB PHE 39 1.330 1.147 -1.468 287 HD1 PHE 39 1HD PHE 39 -1.654 2.022 -0.591 288 HD2 PHE 39 2HD PHE 39 1.300 -0.644 1.063 289 HE1 PHE 39 1HE PHE 39 -2.661 2.283 1.624 290 HE2 PHE 39 2HE PHE 39 0.337 -0.307 3.306 291 HZ PHE 39 HZ PHE 39 -1.670 1.130 3.597 292 H HIS 40 H HIS 40 0.916 2.307 -3.905 293 HA HIS 40 HA HIS 40 1.191 1.179 -6.467 294 HB2 HIS 40 1HB HIS 40 3.004 3.040 -4.894 295 HB3 HIS 40 2HB HIS 40 3.326 2.622 -6.568 296 HD2 HIS 40 2HD HIS 40 0.836 3.026 -8.163 297 HE1 HIS 40 1HE HIS 40 0.556 6.913 -6.460 298 HE2 HIS 40 2HE HIS 40 -0.194 5.369 -8.399 299 H GLN 41 H GLN 41 2.778 -0.073 -7.530 300 HA GLN 41 HA GLN 41 4.185 -2.001 -5.953 301 HB2 GLN 41 2HB GLN 41 3.346 -1.697 -8.669 302 HB3 GLN 41 3HB GLN 41 5.093 -1.912 -8.728 303 HG2 GLN 41 2HG GLN 41 4.847 -3.887 -7.200 304 HG3 GLN 41 3HG GLN 41 3.088 -3.644 -7.257 305 HE21 GLN 41 1HE2 GLN 41 1.970 -4.831 -8.831 306 HE22 GLN 41 2HE2 GLN 41 2.790 -5.544 -10.215 307 H VAL 42 H VAL 42 5.089 1.058 -5.999 308 HA VAL 42 HA VAL 42 8.011 0.495 -6.201 309 HB VAL 42 HB VAL 42 6.459 2.958 -7.104 310 HG11 VAL 42 1HG1 VAL 42 8.481 3.748 -5.984 311 HG12 VAL 42 2HG1 VAL 42 9.470 2.546 -6.846 312 HG13 VAL 42 3HG1 VAL 42 8.700 3.881 -7.732 313 HG21 VAL 42 1HG2 VAL 42 6.531 1.104 -8.747 314 HG22 VAL 42 2HG2 VAL 42 7.530 2.460 -9.286 315 HG23 VAL 42 3HG2 VAL 42 8.296 1.018 -8.581 316 H CYS 43 H CYS 43 5.653 2.948 -4.930 317 HA CYS 43 HA CYS 43 6.918 3.716 -2.539 318 HB2 CYS 43 2HB CYS 43 3.970 3.050 -2.835 319 HB3 CYS 43 3HB CYS 43 4.728 4.210 -1.759 320 H VAL 44 H VAL 44 4.753 0.869 -3.069 321 HA VAL 44 HA VAL 44 5.162 0.013 -0.383 322 HB VAL 44 HB VAL 44 3.117 -0.313 -1.931 323 HG11 VAL 44 1HG1 VAL 44 4.503 -1.763 -3.584 324 HG12 VAL 44 2HG1 VAL 44 4.431 -3.014 -2.338 325 HG13 VAL 44 3HG1 VAL 44 2.921 -2.377 -3.045 326 HG21 VAL 44 1HG2 VAL 44 4.174 -2.488 -0.087 327 HG22 VAL 44 2HG2 VAL 44 3.380 -0.997 0.434 328 HG23 VAL 44 3HG2 VAL 44 2.474 -2.217 -0.505 329 H ASP 45 H ASP 45 6.913 -0.548 -3.298 330 HA ASP 45 HA ASP 45 8.043 -3.122 -2.595 331 HB2 ASP 45 2HB ASP 45 8.253 -2.178 -4.875 332 HB3 ASP 45 3HB ASP 45 9.293 -0.886 -4.253 333 H GLN 46 H GLN 46 9.335 0.236 -2.316 334 HA GLN 46 HA GLN 46 11.368 -0.630 -0.501 335 HB2 GLN 46 2HB GLN 46 10.285 2.191 -0.928 336 HB3 GLN 46 3HB GLN 46 11.785 1.759 -0.080 337 HG2 GLN 46 2HG GLN 46 12.451 0.516 -2.254 338 HG3 GLN 46 3HG GLN 46 11.145 1.420 -3.033 339 HE21 GLN 46 1HE2 GLN 46 14.376 1.477 -2.872 340 HE22 GLN 46 2HE2 GLN 46 14.642 3.214 -2.793 341 H ALA 47 H ALA 47 8.025 0.274 0.103 342 HA ALA 47 HA ALA 47 8.288 0.608 2.926 343 HB1 ALA 47 1HB ALA 47 5.971 -0.647 1.413 344 HB2 ALA 47 2HB ALA 47 5.913 0.145 2.999 345 HB3 ALA 47 3HB ALA 47 6.259 1.107 1.540 346 H LEU 48 H LEU 48 7.253 -2.341 1.137 347 HA LEU 48 HA LEU 48 7.187 -4.085 3.283 348 HB2 LEU 48 2HB LEU 48 6.169 -4.322 1.024 349 HB3 LEU 48 3HB LEU 48 7.743 -4.707 0.339 350 HG LEU 48 HG LEU 48 6.637 -6.331 2.654 351 HD11 LEU 48 1HD1 LEU 48 4.838 -6.178 0.921 352 HD12 LEU 48 2HD1 LEU 48 5.977 -6.804 -0.283 353 HD13 LEU 48 3HD1 LEU 48 5.484 -7.814 1.099 354 HD21 LEU 48 1HD2 LEU 48 8.352 -7.098 0.241 355 HD22 LEU 48 2HD2 LEU 48 8.967 -6.831 1.878 356 HD23 LEU 48 3HD2 LEU 48 7.869 -8.177 1.570 357 H ILE 49 H ILE 49 9.950 -3.524 0.965 358 HA ILE 49 HA ILE 49 11.605 -5.453 2.227 359 HB ILE 49 HB ILE 49 13.464 -4.480 1.128 360 HG12 ILE 49 2HG1 ILE 49 12.815 -2.349 -0.389 361 HG13 ILE 49 3HG1 ILE 49 11.882 -2.008 1.073 362 HG21 ILE 49 1HG2 ILE 49 11.173 -4.177 -0.818 363 HG22 ILE 49 2HG2 ILE 49 12.806 -4.771 -1.106 364 HG23 ILE 49 3HG2 ILE 49 11.669 -5.747 -0.158 365 HD11 ILE 49 1HD1 ILE 49 14.022 -0.956 1.334 366 HD12 ILE 49 2HD1 ILE 49 14.047 -2.376 2.396 367 HD13 ILE 49 3HD1 ILE 49 14.878 -2.430 0.833 368 H THR 50 H THR 50 11.123 -1.961 2.937 369 HA THR 50 HA THR 50 13.136 -1.698 4.871 370 HB THR 50 HB THR 50 10.545 -0.247 4.294 371 HG1 THR 50 1HG THR 50 12.090 0.366 2.990 372 HG21 THR 50 1HG2 THR 50 12.416 0.401 6.590 373 HG22 THR 50 2HG2 THR 50 11.218 1.516 5.889 374 HG23 THR 50 3HG2 THR 50 10.671 0.037 6.682 375 H ASN 51 H ASN 51 9.694 -2.734 5.193 376 HA ASN 51 HA ASN 51 10.383 -4.433 7.355 377 HB2 ASN 51 2HB ASN 51 9.864 -1.761 8.182 378 HB3 ASN 51 3HB ASN 51 8.357 -2.624 8.467 379 HD21 ASN 51 1HD2 ASN 51 11.492 -2.016 9.695 380 HD22 ASN 51 2HD2 ASN 51 11.450 -3.247 10.948 381 H LYS 52 H LYS 52 8.835 -6.066 7.339 382 HA LYS 52 HA LYS 52 6.664 -5.765 5.340 383 HB2 LYS 52 2HB LYS 52 7.637 -8.205 6.919 384 HB3 LYS 52 3HB LYS 52 6.406 -8.167 5.655 385 HG2 LYS 52 2HG LYS 52 8.231 -8.882 4.438 386 HG3 LYS 52 3HG LYS 52 8.244 -7.155 4.141 387 HD2 LYS 52 2HD LYS 52 10.035 -6.950 5.955 388 HD3 LYS 52 3HD LYS 52 10.052 -8.722 6.033 389 HE2 LYS 52 2HE LYS 52 10.831 -8.886 3.772 390 HE3 LYS 52 3HE LYS 52 10.415 -7.195 3.433 391 HZ1 LYS 52 1HZ LYS 52 12.564 -8.002 5.287 392 HZ2 LYS 52 2HZ LYS 52 12.800 -7.611 3.749 393 HZ3 LYS 52 3HZ LYS 52 12.220 -6.458 4.756 394 H LYS 53 H LYS 53 5.766 -4.051 6.906 395 HA LYS 53 HA LYS 53 3.683 -5.430 8.418 396 HB2 LYS 53 2HB LYS 53 4.008 -3.982 10.423 397 HB3 LYS 53 3HB LYS 53 5.280 -5.173 10.175 398 HG2 LYS 53 2HG LYS 53 6.843 -3.575 10.202 399 HG3 LYS 53 3HG LYS 53 6.110 -2.787 8.807 400 HD2 LYS 53 2HD LYS 53 4.542 -1.574 10.355 401 HD3 LYS 53 3HD LYS 53 5.381 -2.332 11.723 402 HE2 LYS 53 2HE LYS 53 6.333 -0.145 11.441 403 HE3 LYS 53 3HE LYS 53 7.535 -1.328 10.905 404 HZ1 LYS 53 1HZ LYS 53 6.849 -0.872 8.622 405 HZ2 LYS 53 2HZ LYS 53 5.735 0.209 9.134 406 HZ3 LYS 53 3HZ LYS 53 7.337 0.516 9.365 407 H CYS 54 H CYS 54 1.754 -4.395 8.151 408 HA CYS 54 HA CYS 54 1.489 -2.196 6.272 409 HB2 CYS 54 2HB CYS 54 -0.204 -4.103 7.349 410 HB3 CYS 54 3HB CYS 54 -0.595 -2.657 8.302 411 HA PRO 55 HA PRO 55 2.333 1.055 9.246 412 HB2 PRO 55 2HB PRO 55 1.089 3.199 8.016 413 HB3 PRO 55 3HB PRO 55 2.650 2.503 7.495 414 HG2 PRO 55 2HG PRO 55 -0.089 1.982 6.336 415 HG3 PRO 55 3HG PRO 55 1.458 2.262 5.478 416 HD2 PRO 55 2HD PRO 55 0.397 -0.217 5.902 417 HD3 PRO 55 3HD PRO 55 2.160 0.064 5.841 418 H ILE 56 H ILE 56 -0.976 1.893 8.025 419 HA ILE 56 HA ILE 56 -1.941 1.854 10.803 420 HB ILE 56 HB ILE 56 -3.395 2.579 8.226 421 HG12 ILE 56 2HG1 ILE 56 -2.273 4.554 10.252 422 HG13 ILE 56 3HG1 ILE 56 -1.329 4.044 8.855 423 HG21 ILE 56 1HG2 ILE 56 -4.026 3.143 11.172 424 HG22 ILE 56 2HG2 ILE 56 -4.963 3.751 9.795 425 HG23 ILE 56 3HG2 ILE 56 -4.917 2.026 10.122 426 HD11 ILE 56 1HD1 ILE 56 -2.445 6.112 8.321 427 HD12 ILE 56 2HD1 ILE 56 -3.104 4.807 7.318 428 HD13 ILE 56 3HD1 ILE 56 -4.030 5.427 8.706 429 H CYS 57 H CYS 57 -1.376 -0.414 10.763 430 HA CYS 57 HA CYS 57 -3.790 -1.743 11.300 431 HB2 CYS 57 2HB CYS 57 -2.114 -3.452 9.426 432 HB3 CYS 57 3HB CYS 57 -3.512 -3.900 10.348 433 H ARG 58 H ARG 58 -0.218 -2.013 10.823 434 HA ARG 58 HA ARG 58 1.400 -3.021 11.980 435 HB2 ARG 58 2HB ARG 58 0.445 -1.654 13.928 436 HB3 ARG 58 3HB ARG 58 -0.397 -3.133 14.414 437 HG2 ARG 58 2HG ARG 58 2.053 -4.189 14.186 438 HG3 ARG 58 3HG ARG 58 2.562 -2.526 14.433 439 HD2 ARG 58 2HD ARG 58 0.533 -3.796 16.319 440 HD3 ARG 58 3HD ARG 58 2.227 -4.233 16.433 441 HE ARG 58 HE ARG 58 2.779 -2.256 17.327 442 HH11 ARG 58 1HH1 ARG 58 0.853 0.533 18.236 443 HH12 ARG 58 2HH1 ARG 58 2.368 -0.268 18.417 444 HH21 ARG 58 1HH2 ARG 58 -0.836 -0.431 16.870 445 HH22 ARG 58 2HH2 ARG 58 -0.515 -1.936 16.088 446 H VAL 59 H VAL 59 0.336 -4.668 10.283 447 HA VAL 59 HA VAL 59 0.382 -7.207 11.775 448 HB VAL 59 HB VAL 59 -1.973 -6.672 10.983 449 HG11 VAL 59 1HG1 VAL 59 -1.531 -5.699 8.801 450 HG12 VAL 59 2HG1 VAL 59 -0.847 -7.240 8.226 451 HG13 VAL 59 3HG1 VAL 59 -2.550 -7.158 8.697 452 HG21 VAL 59 1HG2 VAL 59 -2.453 -8.940 10.315 453 HG22 VAL 59 2HG2 VAL 59 -0.790 -9.205 9.781 454 HG23 VAL 59 3HG2 VAL 59 -1.153 -8.992 11.516 455 H ASP 60 H ASP 60 1.238 -8.912 10.453 456 HA ASP 60 HA ASP 60 3.540 -8.051 8.900 457 HB2 ASP 60 2HB ASP 60 3.560 -10.023 10.385 458 HB3 ASP 60 3HB ASP 60 2.322 -10.794 9.384 459 H ILE 61 H ILE 61 3.808 -8.230 6.709 460 HA ILE 61 HA ILE 61 1.484 -9.111 5.060 461 HB ILE 61 HB ILE 61 2.058 -7.464 3.431 462 HG12 ILE 61 2HG1 ILE 61 4.191 -6.448 5.353 463 HG13 ILE 61 3HG1 ILE 61 4.538 -7.387 3.887 464 HG21 ILE 61 1HG2 ILE 61 1.162 -5.567 4.518 465 HG22 ILE 61 2HG2 ILE 61 0.602 -6.921 5.509 466 HG23 ILE 61 3HG2 ILE 61 2.002 -5.962 6.049 467 HD11 ILE 61 1HD1 ILE 61 3.276 -5.714 2.578 468 HD12 ILE 61 2HD1 ILE 61 3.211 -4.687 4.035 469 HD13 ILE 61 3HD1 ILE 61 4.790 -5.101 3.324 470 H GLU 62 H GLU 62 4.735 -9.647 5.781 471 HA GLU 62 HA GLU 62 5.917 -10.466 3.409 472 HB2 GLU 62 2HB GLU 62 6.895 -10.377 5.755 473 HB3 GLU 62 3HB GLU 62 6.167 -11.942 6.070 474 HG2 GLU 62 2HG GLU 62 7.854 -11.646 3.586 475 HG3 GLU 62 3HG GLU 62 8.688 -11.566 5.132 476 H ALA 63 H ALA 63 5.762 -12.200 2.068 477 HA ALA 63 HA ALA 63 4.598 -14.662 2.830 478 HB1 ALA 63 1HB ALA 63 2.982 -12.932 0.908 479 HB2 ALA 63 2HB ALA 63 2.749 -14.684 1.136 480 HB3 ALA 63 3HB ALA 63 2.443 -13.564 2.482 481 H GLN 64 H GLN 64 6.923 -14.755 2.129 482 HA GLN 64 HA GLN 64 6.936 -15.996 -0.437 483 HB2 GLN 64 2HB GLN 64 7.366 -13.382 -0.855 484 HB3 GLN 64 3HB GLN 64 8.977 -13.742 -0.254 485 HG2 GLN 64 2HG GLN 64 8.808 -13.846 -2.739 486 HG3 GLN 64 3HG GLN 64 9.314 -15.386 -2.044 487 HE21 GLN 64 1HE2 GLN 64 6.049 -13.819 -2.545 488 HE22 GLN 64 2HE2 GLN 64 5.412 -15.201 -3.406 489 H LEU 65 H LEU 65 9.008 -17.207 -0.784 490 HA LEU 65 HA LEU 65 9.895 -18.329 1.655 491 HB2 LEU 65 2HB LEU 65 9.875 -19.391 -0.629 492 HB3 LEU 65 3HB LEU 65 11.290 -18.429 -1.050 493 HG LEU 65 HG LEU 65 11.763 -19.742 1.507 494 HD11 LEU 65 1HD1 LEU 65 10.917 -21.603 -0.753 495 HD12 LEU 65 2HD1 LEU 65 11.651 -22.093 0.790 496 HD13 LEU 65 3HD1 LEU 65 10.042 -21.351 0.776 497 HD21 LEU 65 1HD2 LEU 65 13.518 -18.995 -0.063 498 HD22 LEU 65 2HD2 LEU 65 13.673 -20.721 0.309 499 HD23 LEU 65 3HD2 LEU 65 12.983 -20.210 -1.248 500 HA PRO 66 HA PRO 66 12.583 -14.869 2.529 501 HB2 PRO 66 2HB PRO 66 13.468 -15.544 5.035 502 HB3 PRO 66 3HB PRO 66 11.792 -15.005 4.703 503 HG2 PRO 66 2HG PRO 66 12.806 -17.853 4.959 504 HG3 PRO 66 3HG PRO 66 11.377 -17.109 5.748 505 HD2 PRO 66 2HD PRO 66 11.158 -18.578 3.466 506 HD3 PRO 66 3HD PRO 66 10.143 -17.127 3.740 507 H SER 67 H SER 67 14.569 -14.604 1.594 508 HA SER 67 HA SER 67 16.818 -16.276 2.391 509 HB2 SER 67 2HB SER 67 15.826 -17.744 0.715 510 HB3 SER 67 3HB SER 67 15.702 -16.404 -0.442 511 HG SER 67 HG SER 67 17.948 -16.269 -0.439 512 H GLU 68 H GLU 68 17.149 -14.016 3.107 513 HA GLU 68 HA GLU 68 18.819 -12.514 3.063 514 HB2 GLU 68 2HB GLU 68 19.674 -13.774 0.903 515 HB3 GLU 68 3HB GLU 68 19.003 -12.376 0.054 516 HG2 GLU 68 2HG GLU 68 21.223 -11.775 0.421 517 HG3 GLU 68 3HG GLU 68 20.391 -10.955 1.747 518 H SER 69 H SER 69 17.734 -10.829 3.869 519 HA SER 69 HA SER 69 17.120 -8.641 3.865 520 HB2 SER 69 2HB SER 69 17.887 -8.438 1.449 521 HB3 SER 69 3HB SER 69 16.212 -8.815 0.977 522 HG SER 69 HG SER 69 15.588 -7.095 2.383 Start of MODEL 13 1 H1 MET 1 H1 MET 1 2.499 16.143 -2.669 2 H2 MET 1 H2 MET 1 2.401 14.872 -3.720 3 H3 MET 1 H3 MET 1 3.804 15.169 -2.906 4 HA MET 1 HA MET 1 4.019 15.836 -5.153 5 HB2 MET 1 2HB MET 1 1.498 16.360 -5.290 6 HB3 MET 1 3HB MET 1 1.908 17.970 -4.696 7 HG2 MET 1 2HG MET 1 3.139 16.579 -7.114 8 HG3 MET 1 3HG MET 1 1.816 17.733 -7.208 9 HE1 MET 1 1HE MET 1 2.349 20.219 -5.604 10 HE2 MET 1 2HE MET 1 3.355 21.158 -6.733 11 HE3 MET 1 3HE MET 1 2.002 20.187 -7.351 12 H LYS 2 H LYS 2 3.037 18.668 -3.048 13 HA LYS 2 HA LYS 2 5.772 18.754 -2.043 14 HB2 LYS 2 2HB LYS 2 4.406 21.047 -3.526 15 HB3 LYS 2 3HB LYS 2 5.598 21.332 -2.255 16 HG2 LYS 2 2HG LYS 2 7.091 19.658 -3.622 17 HG3 LYS 2 3HG LYS 2 6.050 20.144 -4.967 18 HD2 LYS 2 2HD LYS 2 7.697 21.994 -3.159 19 HD3 LYS 2 3HD LYS 2 8.114 21.491 -4.790 20 HE2 LYS 2 2HE LYS 2 7.270 23.614 -5.125 21 HE3 LYS 2 3HE LYS 2 5.905 22.577 -5.556 22 HZ1 LYS 2 1HZ LYS 2 5.271 24.465 -4.153 23 HZ2 LYS 2 2HZ LYS 2 4.975 23.066 -3.344 24 HZ3 LYS 2 3HZ LYS 2 6.265 23.953 -2.948 25 H GLN 3 H GLN 3 5.580 20.744 -0.295 26 HA GLN 3 HA GLN 3 3.541 20.133 1.598 27 HB2 GLN 3 2HB GLN 3 4.173 22.159 2.725 28 HB3 GLN 3 3HB GLN 3 5.624 21.316 2.215 29 HG2 GLN 3 2HG GLN 3 4.394 23.739 0.789 30 HG3 GLN 3 3HG GLN 3 5.705 23.813 1.955 31 HE21 GLN 3 1HE2 GLN 3 7.505 21.913 1.297 32 HE22 GLN 3 2HE2 GLN 3 8.069 22.167 -0.340 33 H ASP 4 H ASP 4 1.624 21.343 2.157 34 HA ASP 4 HA ASP 4 0.502 23.253 0.311 35 HB2 ASP 4 2HB ASP 4 0.188 20.697 -0.529 36 HB3 ASP 4 3HB ASP 4 -1.116 20.724 0.656 37 H GLY 5 H GLY 5 -2.100 23.206 1.269 38 HA2 GLY 5 2HA GLY 5 -1.813 23.535 4.207 39 HA3 GLY 5 3HA GLY 5 -3.166 24.074 3.196 40 H GLU 6 H GLU 6 -4.820 23.016 4.396 41 HA GLU 6 HA GLU 6 -4.972 20.118 4.164 42 HB2 GLU 6 2HB GLU 6 -5.252 19.804 6.593 43 HB3 GLU 6 3HB GLU 6 -3.663 20.440 6.190 44 HG2 GLU 6 2HG GLU 6 -4.805 22.805 6.687 45 HG3 GLU 6 3HG GLU 6 -5.956 21.816 7.586 46 H GLU 7 H GLU 7 -7.199 19.770 5.813 47 HA GLU 7 HA GLU 7 -9.441 19.720 5.497 48 HB2 GLU 7 2HB GLU 7 -8.918 22.661 5.922 49 HB3 GLU 7 3HB GLU 7 -10.560 22.019 5.723 50 HG2 GLU 7 2HG GLU 7 -10.211 20.422 7.551 51 HG3 GLU 7 3HG GLU 7 -8.566 21.020 7.794 52 H GLY 8 H GLY 8 -8.776 18.876 3.279 53 HA2 GLY 8 2HA GLY 8 -10.760 20.048 1.474 54 HA3 GLY 8 3HA GLY 8 -9.098 20.031 0.856 55 H THR 9 H THR 9 -11.842 18.020 1.899 56 HA THR 9 HA THR 9 -10.734 15.712 0.405 57 HB THR 9 HB THR 9 -11.556 14.294 2.370 58 HG1 THR 9 1HG THR 9 -12.633 16.046 3.402 59 HG21 THR 9 1HG2 THR 9 -9.139 14.638 1.907 60 HG22 THR 9 2HG2 THR 9 -9.155 16.069 2.964 61 HG23 THR 9 3HG2 THR 9 -9.493 14.467 3.641 62 H GLU 10 H GLU 10 -12.389 15.381 -1.135 63 HA GLU 10 HA GLU 10 -15.051 14.924 -0.088 64 HB2 GLU 10 2HB GLU 10 -14.811 17.447 -0.729 65 HB3 GLU 10 3HB GLU 10 -14.732 16.872 -2.404 66 HG2 GLU 10 2HG GLU 10 -16.929 15.731 -2.089 67 HG3 GLU 10 3HG GLU 10 -16.949 16.249 -0.398 68 H GLU 11 H GLU 11 -15.777 13.122 -1.201 69 HA GLU 11 HA GLU 11 -15.544 11.229 -2.438 70 HB2 GLU 11 2HB GLU 11 -15.185 13.290 -4.635 71 HB3 GLU 11 3HB GLU 11 -15.422 11.559 -4.918 72 HG2 GLU 11 2HG GLU 11 -17.536 11.601 -3.659 73 HG3 GLU 11 3HG GLU 11 -17.360 13.341 -3.399 74 H ASP 12 H ASP 12 -13.960 10.465 -4.549 75 HA ASP 12 HA ASP 12 -11.991 9.334 -4.804 76 HB2 ASP 12 2HB ASP 12 -12.199 11.468 -6.063 77 HB3 ASP 12 3HB ASP 12 -11.189 12.257 -4.845 78 H THR 13 H THR 13 -12.202 8.776 -2.407 79 HA THR 13 HA THR 13 -9.606 9.342 -1.068 80 HB THR 13 HB THR 13 -12.403 9.944 -0.214 81 HG1 THR 13 1HG THR 13 -11.036 11.524 -0.936 82 HG21 THR 13 1HG2 THR 13 -10.225 9.325 1.813 83 HG22 THR 13 2HG2 THR 13 -11.737 10.204 2.141 84 HG23 THR 13 3HG2 THR 13 -11.803 8.510 1.637 85 H GLU 14 H GLU 14 -11.773 6.936 -1.977 86 HA GLU 14 HA GLU 14 -11.314 5.138 0.233 87 HB2 GLU 14 2HB GLU 14 -13.120 5.259 -1.927 88 HB3 GLU 14 3HB GLU 14 -12.077 3.919 -2.364 89 HG2 GLU 14 2HG GLU 14 -13.529 2.725 -1.101 90 HG3 GLU 14 3HG GLU 14 -12.506 3.254 0.235 91 H GLU 15 H GLU 15 -10.158 5.315 -3.175 92 HA GLU 15 HA GLU 15 -8.311 3.101 -2.685 93 HB2 GLU 15 2HB GLU 15 -8.876 4.684 -5.230 94 HB3 GLU 15 3HB GLU 15 -7.975 3.159 -5.085 95 HG2 GLU 15 2HG GLU 15 -10.171 2.289 -3.911 96 HG3 GLU 15 3HG GLU 15 -10.937 3.682 -4.689 97 H LYS 16 H LYS 16 -7.269 4.714 -1.018 98 HA LYS 16 HA LYS 16 -5.253 6.328 -2.455 99 HB2 LYS 16 2HB LYS 16 -6.980 7.328 -0.781 100 HB3 LYS 16 3HB LYS 16 -5.950 6.622 0.493 101 HG2 LYS 16 2HG LYS 16 -4.013 7.835 -0.491 102 HG3 LYS 16 3HG LYS 16 -5.104 8.490 -1.729 103 HD2 LYS 16 2HD LYS 16 -6.298 9.121 0.784 104 HD3 LYS 16 3HD LYS 16 -4.568 9.495 0.934 105 HE2 LYS 16 2HE LYS 16 -4.757 10.691 -1.317 106 HE3 LYS 16 3HE LYS 16 -6.519 10.496 -1.190 107 HZ1 LYS 16 1HZ LYS 16 -6.355 11.734 0.917 108 HZ2 LYS 16 2HZ LYS 16 -4.731 11.962 0.633 109 HZ3 LYS 16 3HZ LYS 16 -5.856 12.620 -0.375 110 H CYS 17 H CYS 17 -3.271 5.971 -2.291 111 HA CYS 17 HA CYS 17 -1.955 3.580 -1.117 112 HB2 CYS 17 2HB CYS 17 -1.304 4.832 -3.211 113 HB3 CYS 17 3HB CYS 17 -1.009 6.238 -2.221 114 H THR 18 H THR 18 -2.104 3.555 1.177 115 HA THR 18 HA THR 18 -2.140 5.926 2.714 116 HB THR 18 HB THR 18 -2.802 3.593 3.446 117 HG1 THR 18 1HG THR 18 -1.209 5.315 5.029 118 HG21 THR 18 1HG2 THR 18 -1.145 2.178 4.411 119 HG22 THR 18 2HG2 THR 18 -0.519 2.625 2.807 120 HG23 THR 18 3HG2 THR 18 0.122 3.401 4.271 121 H ILE 19 H ILE 19 0.573 4.522 1.053 122 HA ILE 19 HA ILE 19 2.571 5.372 2.971 123 HB ILE 19 HB ILE 19 2.538 4.035 0.265 124 HG12 ILE 19 2HG1 ILE 19 3.716 3.064 2.893 125 HG13 ILE 19 3HG1 ILE 19 1.990 2.890 2.558 126 HG21 ILE 19 1HG2 ILE 19 4.504 5.396 0.162 127 HG22 ILE 19 2HG2 ILE 19 4.920 5.048 1.859 128 HG23 ILE 19 3HG2 ILE 19 5.060 3.785 0.623 129 HD11 ILE 19 1HD1 ILE 19 4.184 1.781 0.776 130 HD12 ILE 19 2HD1 ILE 19 3.230 0.862 1.949 131 HD13 ILE 19 3HD1 ILE 19 2.434 1.608 0.540 132 H CYS 20 H CYS 20 1.624 6.327 -0.419 133 HA CYS 20 HA CYS 20 3.192 8.882 -0.123 134 HB2 CYS 20 2HB CYS 20 2.702 9.169 -2.463 135 HB3 CYS 20 3HB CYS 20 3.553 7.650 -2.159 136 H LEU 21 H LEU 21 0.152 7.780 0.770 137 HA LEU 21 HA LEU 21 -1.809 8.704 1.263 138 HB2 LEU 21 2HB LEU 21 0.000 11.091 1.717 139 HB3 LEU 21 3HB LEU 21 -1.653 10.966 2.330 140 HG LEU 21 HG LEU 21 0.482 8.876 2.969 141 HD11 LEU 21 1HD1 LEU 21 1.262 11.037 3.769 142 HD12 LEU 21 2HD1 LEU 21 -0.301 11.328 4.577 143 HD13 LEU 21 3HD1 LEU 21 0.764 10.006 5.119 144 HD21 LEU 21 1HD2 LEU 21 -1.020 8.364 4.859 145 HD22 LEU 21 2HD2 LEU 21 -2.166 9.605 4.307 146 HD23 LEU 21 3HD2 LEU 21 -1.859 8.154 3.324 147 H SER 22 H SER 22 -1.121 8.699 -1.531 148 HA SER 22 HA SER 22 -2.792 10.936 -2.552 149 HB2 SER 22 2HB SER 22 -0.068 10.085 -3.235 150 HB3 SER 22 3HB SER 22 -1.139 10.003 -4.641 151 HG SER 22 HG SER 22 -1.571 12.135 -4.457 152 H ILE 23 H ILE 23 -4.135 10.369 -4.401 153 HA ILE 23 HA ILE 23 -5.297 7.777 -4.121 154 HB ILE 23 HB ILE 23 -5.701 10.264 -5.778 155 HG12 ILE 23 2HG1 ILE 23 -6.439 10.090 -3.375 156 HG13 ILE 23 3HG1 ILE 23 -7.697 10.515 -4.521 157 HG21 ILE 23 1HG2 ILE 23 -6.279 8.702 -7.407 158 HG22 ILE 23 2HG2 ILE 23 -7.196 7.676 -6.275 159 HG23 ILE 23 3HG2 ILE 23 -7.775 9.294 -6.731 160 HD11 ILE 23 1HD1 ILE 23 -8.634 8.266 -4.447 161 HD12 ILE 23 2HD1 ILE 23 -7.265 7.674 -3.486 162 HD13 ILE 23 3HD1 ILE 23 -8.383 8.819 -2.782 163 H LEU 24 H LEU 24 -5.583 6.295 -5.711 164 HA LEU 24 HA LEU 24 -3.225 5.749 -7.393 165 HB2 LEU 24 2HB LEU 24 -5.684 4.126 -6.558 166 HB3 LEU 24 3HB LEU 24 -4.263 3.459 -7.371 167 HG LEU 24 HG LEU 24 -4.150 4.779 -4.610 168 HD11 LEU 24 1HD1 LEU 24 -4.194 1.874 -5.430 169 HD12 LEU 24 2HD1 LEU 24 -3.953 2.517 -3.768 170 HD13 LEU 24 3HD1 LEU 24 -5.500 2.760 -4.596 171 HD21 LEU 24 1HD2 LEU 24 -2.040 4.965 -5.569 172 HD22 LEU 24 2HD2 LEU 24 -1.954 3.414 -4.684 173 HD23 LEU 24 3HD2 LEU 24 -2.169 3.412 -6.440 174 H GLU 25 H GLU 25 -4.792 4.004 -9.193 175 HA GLU 25 HA GLU 25 -6.989 5.431 -10.266 176 HB2 GLU 25 2HB GLU 25 -6.055 5.640 -12.567 177 HB3 GLU 25 3HB GLU 25 -5.241 6.704 -11.414 178 HG2 GLU 25 2HG GLU 25 -3.278 5.450 -11.392 179 HG3 GLU 25 3HG GLU 25 -4.095 3.973 -11.915 180 H GLU 26 H GLU 26 -7.233 3.955 -12.673 181 HA GLU 26 HA GLU 26 -6.885 1.137 -11.774 182 HB2 GLU 26 2HB GLU 26 -9.235 1.884 -11.820 183 HB3 GLU 26 3HB GLU 26 -9.074 2.338 -13.522 184 HG2 GLU 26 2HG GLU 26 -8.665 0.003 -14.146 185 HG3 GLU 26 3HG GLU 26 -8.552 -0.468 -12.447 186 H GLY 27 H GLY 27 -4.761 1.169 -12.609 187 HA2 GLY 27 2HA GLY 27 -4.317 0.282 -15.223 188 HA3 GLY 27 3HA GLY 27 -4.129 2.050 -15.252 189 H GLU 28 H GLU 28 -3.040 2.668 -12.941 190 HA GLU 28 HA GLU 28 -0.369 2.253 -12.953 191 HB2 GLU 28 2HB GLU 28 -2.348 3.120 -10.919 192 HB3 GLU 28 3HB GLU 28 -0.871 2.539 -10.210 193 HG2 GLU 28 2HG GLU 28 -0.698 4.503 -12.509 194 HG3 GLU 28 3HG GLU 28 -1.057 5.062 -10.864 195 H ASP 29 H ASP 29 1.119 1.250 -11.599 196 HA ASP 29 HA ASP 29 0.634 -1.625 -11.229 197 HB2 ASP 29 2HB ASP 29 3.044 0.179 -10.842 198 HB3 ASP 29 3HB ASP 29 3.009 -1.489 -10.271 199 H VAL 30 H VAL 30 -0.155 -2.440 -9.383 200 HA VAL 30 HA VAL 30 0.104 -0.953 -6.862 201 HB VAL 30 HB VAL 30 -2.231 -1.346 -6.328 202 HG11 VAL 30 1HG1 VAL 30 -1.385 0.761 -7.591 203 HG12 VAL 30 2HG1 VAL 30 -2.268 0.094 -8.976 204 HG13 VAL 30 3HG1 VAL 30 -3.130 0.471 -7.476 205 HG21 VAL 30 1HG2 VAL 30 -3.871 -2.015 -8.025 206 HG22 VAL 30 2HG2 VAL 30 -2.573 -2.306 -9.197 207 HG23 VAL 30 3HG2 VAL 30 -2.706 -3.318 -7.738 208 H ARG 31 H ARG 31 -1.043 -2.641 -5.145 209 HA ARG 31 HA ARG 31 -0.096 -5.328 -5.605 210 HB2 ARG 31 2HB ARG 31 1.507 -3.203 -4.245 211 HB3 ARG 31 3HB ARG 31 1.319 -4.656 -3.270 212 HG2 ARG 31 2HG ARG 31 2.224 -4.890 -6.148 213 HG3 ARG 31 3HG ARG 31 3.373 -4.476 -4.878 214 HD2 ARG 31 2HD ARG 31 3.142 -6.486 -3.765 215 HD3 ARG 31 3HD ARG 31 1.540 -6.827 -4.451 216 HE ARG 31 HE ARG 31 3.099 -6.842 -6.659 217 HH11 ARG 31 1HH1 ARG 31 4.399 -10.111 -6.562 218 HH12 ARG 31 2HH1 ARG 31 3.952 -8.787 -7.573 219 HH21 ARG 31 1HH2 ARG 31 4.109 -9.938 -4.207 220 HH22 ARG 31 2HH2 ARG 31 3.442 -8.486 -3.553 221 H ARG 32 H ARG 32 -0.229 -6.495 -3.300 222 HA ARG 32 HA ARG 32 -2.475 -5.422 -1.749 223 HB2 ARG 32 2HB ARG 32 -3.524 -6.943 -3.339 224 HB3 ARG 32 3HB ARG 32 -2.244 -8.138 -3.122 225 HG2 ARG 32 2HG ARG 32 -4.237 -8.911 -2.000 226 HG3 ARG 32 3HG ARG 32 -2.998 -8.582 -0.810 227 HD2 ARG 32 2HD ARG 32 -4.844 -7.579 0.195 228 HD3 ARG 32 3HD ARG 32 -4.151 -6.201 -0.631 229 HE ARG 32 HE ARG 32 -5.894 -6.115 -2.106 230 HH11 ARG 32 1HH1 ARG 32 -8.761 -8.148 -2.404 231 HH12 ARG 32 2HH1 ARG 32 -7.996 -6.694 -2.922 232 HH21 ARG 32 1HH2 ARG 32 -7.660 -9.577 -0.862 233 HH22 ARG 32 2HH2 ARG 32 -6.095 -9.134 -0.283 234 H LEU 33 H LEU 33 -2.459 -6.215 0.450 235 HA LEU 33 HA LEU 33 -0.311 -7.988 1.317 236 HB2 LEU 33 2HB LEU 33 -0.318 -6.285 3.386 237 HB3 LEU 33 3HB LEU 33 0.784 -6.063 2.033 238 HG LEU 33 HG LEU 33 -1.923 -4.756 1.901 239 HD11 LEU 33 1HD1 LEU 33 -1.036 -2.818 3.180 240 HD12 LEU 33 2HD1 LEU 33 -1.309 -4.258 4.168 241 HD13 LEU 33 3HD1 LEU 33 0.344 -3.809 3.692 242 HD21 LEU 33 1HD2 LEU 33 -0.008 -4.582 0.111 243 HD22 LEU 33 2HD2 LEU 33 -0.708 -3.064 0.690 244 HD23 LEU 33 3HD2 LEU 33 0.853 -3.634 1.326 245 HA PRO 34 HA PRO 34 -3.439 -9.991 3.359 246 HB2 PRO 34 2HB PRO 34 -2.391 -10.802 5.777 247 HB3 PRO 34 3HB PRO 34 -1.911 -11.474 4.188 248 HG2 PRO 34 2HG PRO 34 -0.503 -9.362 5.826 249 HG3 PRO 34 3HG PRO 34 0.198 -10.751 4.929 250 HD2 PRO 34 2HD PRO 34 0.124 -8.177 4.003 251 HD3 PRO 34 3HD PRO 34 0.123 -9.555 2.912 252 H CYS 35 H CYS 35 -2.133 -7.226 5.105 253 HA CYS 35 HA CYS 35 -4.500 -6.814 6.865 254 HB2 CYS 35 2HB CYS 35 -2.175 -6.086 7.389 255 HB3 CYS 35 3HB CYS 35 -2.263 -4.990 6.006 256 H MET 36 H MET 36 -5.021 -7.330 3.945 257 HA MET 36 HA MET 36 -6.417 -6.584 2.348 258 HB2 MET 36 2HB MET 36 -8.618 -6.011 3.268 259 HB3 MET 36 3HB MET 36 -7.881 -7.395 4.067 260 HG2 MET 36 2HG MET 36 -7.311 -6.118 6.007 261 HG3 MET 36 3HG MET 36 -7.716 -4.588 5.226 262 HE1 MET 36 1HE MET 36 -10.005 -3.481 5.242 263 HE2 MET 36 2HE MET 36 -10.341 -4.633 3.931 264 HE3 MET 36 3HE MET 36 -11.526 -4.404 5.238 265 H HIS 37 H HIS 37 -4.424 -4.824 2.340 266 HA HIS 37 HA HIS 37 -5.777 -2.194 2.077 267 HB2 HIS 37 1HB HIS 37 -3.430 -3.056 3.682 268 HB3 HIS 37 2HB HIS 37 -3.104 -1.688 2.640 269 HD2 HIS 37 2HD HIS 37 -5.638 0.038 2.773 270 HE1 HIS 37 1HE HIS 37 -5.184 0.087 6.998 271 HE2 HIS 37 2HE HIS 37 -6.291 1.231 5.000 272 H LEU 38 H LEU 38 -5.658 -1.389 0.047 273 HA LEU 38 HA LEU 38 -4.038 -2.806 -1.964 274 HB2 LEU 38 2HB LEU 38 -6.517 -2.138 -2.172 275 HB3 LEU 38 3HB LEU 38 -5.978 -0.467 -2.282 276 HG LEU 38 HG LEU 38 -5.262 -2.750 -4.183 277 HD11 LEU 38 1HD1 LEU 38 -7.605 -1.946 -4.351 278 HD12 LEU 38 2HD1 LEU 38 -7.023 -0.282 -4.556 279 HD13 LEU 38 3HD1 LEU 38 -6.669 -1.508 -5.786 280 HD21 LEU 38 1HD2 LEU 38 -4.445 -0.736 -5.605 281 HD22 LEU 38 2HD2 LEU 38 -4.393 0.141 -4.062 282 HD23 LEU 38 3HD2 LEU 38 -3.395 -1.314 -4.307 283 H PHE 39 H PHE 39 -1.960 -2.028 -2.335 284 HA PHE 39 HA PHE 39 -1.400 0.854 -1.719 285 HB2 PHE 39 2HB PHE 39 0.358 -1.609 -1.298 286 HB3 PHE 39 3HB PHE 39 0.980 0.022 -1.349 287 HD1 PHE 39 1HD PHE 39 1.906 -1.110 0.777 288 HD2 PHE 39 2HD PHE 39 -2.104 0.381 0.429 289 HE1 PHE 39 1HE PHE 39 1.754 -0.996 3.232 290 HE2 PHE 39 2HE PHE 39 -2.260 0.527 2.874 291 HZ PHE 39 HZ PHE 39 -0.347 -0.179 4.301 292 H HIS 40 H HIS 40 0.493 1.664 -3.037 293 HA HIS 40 HA HIS 40 0.376 0.876 -5.870 294 HB2 HIS 40 1HB HIS 40 2.015 2.699 -4.150 295 HB3 HIS 40 2HB HIS 40 2.726 2.187 -5.667 296 HD2 HIS 40 2HD HIS 40 0.744 2.610 -7.867 297 HE1 HIS 40 1HE HIS 40 0.684 6.611 -6.441 298 HE2 HIS 40 2HE HIS 40 0.356 5.086 -8.474 299 H GLN 41 H GLN 41 2.212 -0.060 -6.988 300 HA GLN 41 HA GLN 41 3.525 -2.212 -5.631 301 HB2 GLN 41 2HB GLN 41 2.861 -2.150 -8.001 302 HB3 GLN 41 3HB GLN 41 4.122 -0.956 -8.340 303 HG2 GLN 41 2HG GLN 41 5.870 -2.491 -7.920 304 HG3 GLN 41 3HG GLN 41 4.843 -3.571 -6.975 305 HE21 GLN 41 1HE2 GLN 41 2.608 -4.077 -8.651 306 HE22 GLN 41 2HE2 GLN 41 3.239 -4.735 -10.155 307 H VAL 42 H VAL 42 4.950 0.800 -7.122 308 HA VAL 42 HA VAL 42 7.503 0.316 -6.067 309 HB VAL 42 HB VAL 42 6.255 3.021 -6.709 310 HG11 VAL 42 1HG1 VAL 42 8.375 3.271 -5.464 311 HG12 VAL 42 2HG1 VAL 42 9.170 2.121 -6.562 312 HG13 VAL 42 3HG1 VAL 42 8.614 3.699 -7.162 313 HG21 VAL 42 1HG2 VAL 42 7.383 2.684 -8.926 314 HG22 VAL 42 2HG2 VAL 42 7.780 1.022 -8.442 315 HG23 VAL 42 3HG2 VAL 42 6.087 1.521 -8.653 316 H CYS 43 H CYS 43 4.823 2.219 -4.601 317 HA CYS 43 HA CYS 43 6.218 3.114 -2.256 318 HB2 CYS 43 2HB CYS 43 3.302 2.333 -2.475 319 HB3 CYS 43 3HB CYS 43 4.048 3.392 -1.308 320 H VAL 44 H VAL 44 4.263 0.009 -2.759 321 HA VAL 44 HA VAL 44 4.892 -0.721 -0.092 322 HB VAL 44 HB VAL 44 2.866 -1.416 -1.439 323 HG11 VAL 44 1HG1 VAL 44 4.820 -3.580 -2.335 324 HG12 VAL 44 2HG1 VAL 44 3.065 -3.614 -2.506 325 HG13 VAL 44 3HG1 VAL 44 4.016 -2.398 -3.387 326 HG21 VAL 44 1HG2 VAL 44 2.569 -3.336 -0.128 327 HG22 VAL 44 2HG2 VAL 44 4.321 -3.678 -0.057 328 HG23 VAL 44 3HG2 VAL 44 3.665 -2.302 0.831 329 H ASP 45 H ASP 45 6.637 -1.081 -3.083 330 HA ASP 45 HA ASP 45 8.229 -3.348 -2.366 331 HB2 ASP 45 2HB ASP 45 8.524 -1.039 -4.282 332 HB3 ASP 45 3HB ASP 45 9.987 -1.898 -3.826 333 H GLN 46 H GLN 46 8.966 0.191 -2.046 334 HA GLN 46 HA GLN 46 11.176 -0.442 -0.285 335 HB2 GLN 46 2HB GLN 46 9.712 2.187 -0.782 336 HB3 GLN 46 3HB GLN 46 11.065 2.006 0.349 337 HG2 GLN 46 2HG GLN 46 12.405 0.989 -1.578 338 HG3 GLN 46 3HG GLN 46 11.111 1.534 -2.656 339 HE21 GLN 46 1HE2 GLN 46 12.177 3.237 -3.790 340 HE22 GLN 46 2HE2 GLN 46 12.933 4.575 -2.933 341 H ALA 47 H ALA 47 7.734 0.050 0.362 342 HA ALA 47 HA ALA 47 7.954 0.358 3.169 343 HB1 ALA 47 1HB ALA 47 5.888 -1.285 1.657 344 HB2 ALA 47 2HB ALA 47 5.696 -0.536 3.254 345 HB3 ALA 47 3HB ALA 47 5.862 0.488 1.805 346 H LEU 48 H LEU 48 7.533 -2.675 1.331 347 HA LEU 48 HA LEU 48 7.740 -4.466 3.451 348 HB2 LEU 48 2HB LEU 48 6.747 -4.832 1.215 349 HB3 LEU 48 3HB LEU 48 8.345 -4.878 0.483 350 HG LEU 48 HG LEU 48 7.606 -6.780 2.740 351 HD11 LEU 48 1HD1 LEU 48 6.819 -8.398 1.047 352 HD12 LEU 48 2HD1 LEU 48 5.801 -6.951 1.069 353 HD13 LEU 48 3HD1 LEU 48 7.002 -7.162 -0.222 354 HD21 LEU 48 1HD2 LEU 48 9.164 -8.306 1.501 355 HD22 LEU 48 2HD2 LEU 48 9.477 -7.010 0.328 356 HD23 LEU 48 3HD2 LEU 48 9.980 -6.836 2.022 357 H ILE 49 H ILE 49 10.345 -3.376 1.139 358 HA ILE 49 HA ILE 49 12.292 -5.055 2.387 359 HB ILE 49 HB ILE 49 13.955 -3.898 1.201 360 HG12 ILE 49 2HG1 ILE 49 12.965 -1.851 -0.294 361 HG13 ILE 49 3HG1 ILE 49 12.156 -1.598 1.265 362 HG21 ILE 49 1HG2 ILE 49 13.236 -4.176 -1.056 363 HG22 ILE 49 2HG2 ILE 49 12.438 -5.402 -0.055 364 HG23 ILE 49 3HG2 ILE 49 11.537 -3.985 -0.613 365 HD11 ILE 49 1HD1 ILE 49 14.344 -1.647 2.417 366 HD12 ILE 49 2HD1 ILE 49 15.152 -1.893 0.854 367 HD13 ILE 49 3HD1 ILE 49 14.279 -0.380 1.177 368 H THR 50 H THR 50 11.141 -1.748 3.204 369 HA THR 50 HA THR 50 13.204 -1.306 5.115 370 HB THR 50 HB THR 50 10.450 -0.128 4.635 371 HG1 THR 50 1HG THR 50 13.119 0.827 4.455 372 HG21 THR 50 1HG2 THR 50 11.033 1.657 6.261 373 HG22 THR 50 2HG2 THR 50 10.705 0.102 7.034 374 HG23 THR 50 3HG2 THR 50 12.387 0.659 6.845 375 H ASN 51 H ASN 51 9.951 -2.823 5.304 376 HA ASN 51 HA ASN 51 10.802 -4.675 7.242 377 HB2 ASN 51 2HB ASN 51 9.479 -2.207 8.299 378 HB3 ASN 51 3HB ASN 51 8.677 -3.710 8.751 379 HD21 ASN 51 1HD2 ASN 51 11.017 -1.617 9.869 380 HD22 ASN 51 2HD2 ASN 51 11.883 -2.790 10.848 381 H LYS 52 H LYS 52 9.315 -6.438 7.101 382 HA LYS 52 HA LYS 52 7.132 -6.082 5.150 383 HB2 LYS 52 2HB LYS 52 7.795 -8.552 6.804 384 HB3 LYS 52 3HB LYS 52 6.788 -8.450 5.367 385 HG2 LYS 52 2HG LYS 52 8.599 -9.062 4.196 386 HG3 LYS 52 3HG LYS 52 9.227 -7.426 4.451 387 HD2 LYS 52 2HD LYS 52 10.370 -8.199 6.527 388 HD3 LYS 52 3HD LYS 52 9.626 -9.797 6.329 389 HE2 LYS 52 2HE LYS 52 10.791 -9.898 4.051 390 HE3 LYS 52 3HE LYS 52 11.768 -8.514 4.603 391 HZ1 LYS 52 1HZ LYS 52 12.835 -10.633 5.152 392 HZ2 LYS 52 2HZ LYS 52 12.248 -10.007 6.607 393 HZ3 LYS 52 3HZ LYS 52 11.459 -11.163 5.853 394 H LYS 53 H LYS 53 6.164 -4.325 6.775 395 HA LYS 53 HA LYS 53 4.012 -5.818 8.081 396 HB2 LYS 53 2HB LYS 53 4.210 -4.837 10.221 397 HB3 LYS 53 3HB LYS 53 5.763 -5.562 9.828 398 HG2 LYS 53 2HG LYS 53 6.481 -3.147 9.119 399 HG3 LYS 53 3HG LYS 53 5.009 -2.629 9.963 400 HD2 LYS 53 2HD LYS 53 6.036 -4.334 11.828 401 HD3 LYS 53 3HD LYS 53 7.543 -3.805 11.061 402 HE2 LYS 53 2HE LYS 53 6.950 -1.448 11.505 403 HE3 LYS 53 3HE LYS 53 5.371 -1.951 12.132 404 HZ1 LYS 53 1HZ LYS 53 6.890 -1.556 13.928 405 HZ2 LYS 53 2HZ LYS 53 6.539 -3.167 13.874 406 HZ3 LYS 53 3HZ LYS 53 7.987 -2.623 13.321 407 H CYS 54 H CYS 54 2.099 -4.736 7.920 408 HA CYS 54 HA CYS 54 1.807 -2.610 5.975 409 HB2 CYS 54 2HB CYS 54 0.085 -4.281 6.493 410 HB3 CYS 54 3HB CYS 54 -0.043 -3.647 8.133 411 HA PRO 55 HA PRO 55 3.475 0.275 8.967 412 HB2 PRO 55 2HB PRO 55 3.412 2.603 7.480 413 HB3 PRO 55 3HB PRO 55 4.609 1.293 7.242 414 HG2 PRO 55 2HG PRO 55 2.047 1.775 5.697 415 HG3 PRO 55 3HG PRO 55 3.681 1.410 5.055 416 HD2 PRO 55 2HD PRO 55 1.786 -0.516 5.359 417 HD3 PRO 55 3HD PRO 55 3.516 -0.865 5.679 418 H ILE 56 H ILE 56 0.485 1.042 7.199 419 HA ILE 56 HA ILE 56 -0.473 2.927 9.157 420 HB ILE 56 HB ILE 56 -1.076 2.976 6.775 421 HG12 ILE 56 2HG1 ILE 56 -3.489 3.339 6.907 422 HG13 ILE 56 3HG1 ILE 56 -3.561 2.572 8.491 423 HG21 ILE 56 1HG2 ILE 56 -2.646 0.451 7.348 424 HG22 ILE 56 2HG2 ILE 56 -2.742 1.393 5.855 425 HG23 ILE 56 3HG2 ILE 56 -1.228 0.592 6.287 426 HD11 ILE 56 1HD1 ILE 56 -1.899 5.049 7.827 427 HD12 ILE 56 2HD1 ILE 56 -3.517 5.083 8.554 428 HD13 ILE 56 3HD1 ILE 56 -2.169 4.359 9.448 429 H CYS 57 H CYS 57 -0.195 -0.487 9.269 430 HA CYS 57 HA CYS 57 -2.280 -0.711 11.450 431 HB2 CYS 57 2HB CYS 57 -1.548 -2.879 9.459 432 HB3 CYS 57 3HB CYS 57 -2.757 -2.921 10.744 433 H ARG 58 H ARG 58 -0.060 -3.170 10.473 434 HA ARG 58 HA ARG 58 2.209 -2.953 11.561 435 HB2 ARG 58 2HB ARG 58 0.555 -2.767 13.936 436 HB3 ARG 58 3HB ARG 58 1.388 -4.298 13.989 437 HG2 ARG 58 2HG ARG 58 3.549 -3.225 13.508 438 HG3 ARG 58 3HG ARG 58 2.764 -1.633 13.435 439 HD2 ARG 58 2HD ARG 58 2.712 -3.483 15.855 440 HD3 ARG 58 3HD ARG 58 3.875 -2.156 15.634 441 HE ARG 58 HE ARG 58 1.336 -1.055 15.259 442 HH11 ARG 58 1HH1 ARG 58 0.737 -0.122 18.618 443 HH12 ARG 58 2HH1 ARG 58 0.331 0.170 16.965 444 HH21 ARG 58 1HH2 ARG 58 2.368 -1.777 19.147 445 HH22 ARG 58 2HH2 ARG 58 3.099 -2.664 17.858 446 H VAL 59 H VAL 59 -0.483 -5.041 11.024 447 HA VAL 59 HA VAL 59 0.538 -7.534 11.695 448 HB VAL 59 HB VAL 59 -0.974 -6.975 9.127 449 HG11 VAL 59 1HG1 VAL 59 -1.794 -9.143 9.247 450 HG12 VAL 59 2HG1 VAL 59 -0.167 -9.387 9.870 451 HG13 VAL 59 3HG1 VAL 59 -1.531 -9.281 10.997 452 HG21 VAL 59 1HG2 VAL 59 -3.077 -7.279 10.517 453 HG22 VAL 59 2HG2 VAL 59 -2.078 -7.053 11.965 454 HG23 VAL 59 3HG2 VAL 59 -2.263 -5.743 10.767 455 H ASP 60 H ASP 60 1.951 -8.974 10.761 456 HA ASP 60 HA ASP 60 4.032 -8.153 8.984 457 HB2 ASP 60 2HB ASP 60 4.333 -9.976 10.551 458 HB3 ASP 60 3HB ASP 60 2.956 -10.851 9.862 459 H ILE 61 H ILE 61 4.277 -8.614 6.797 460 HA ILE 61 HA ILE 61 1.848 -9.522 5.341 461 HB ILE 61 HB ILE 61 2.354 -8.015 3.580 462 HG12 ILE 61 2HG1 ILE 61 4.714 -7.058 5.228 463 HG13 ILE 61 3HG1 ILE 61 4.837 -8.043 3.760 464 HG21 ILE 61 1HG2 ILE 61 2.552 -6.381 6.121 465 HG22 ILE 61 2HG2 ILE 61 1.676 -5.981 4.619 466 HG23 ILE 61 3HG2 ILE 61 1.075 -7.264 5.684 467 HD11 ILE 61 1HD1 ILE 61 5.207 -5.796 3.148 468 HD12 ILE 61 2HD1 ILE 61 3.603 -6.316 2.531 469 HD13 ILE 61 3HD1 ILE 61 3.722 -5.259 3.970 470 H GLU 62 H GLU 62 5.158 -10.118 5.913 471 HA GLU 62 HA GLU 62 6.001 -11.039 3.396 472 HB2 GLU 62 2HB GLU 62 7.401 -10.844 5.537 473 HB3 GLU 62 3HB GLU 62 6.763 -12.438 5.986 474 HG2 GLU 62 2HG GLU 62 7.610 -13.358 3.818 475 HG3 GLU 62 3HG GLU 62 8.172 -11.750 3.361 476 H ALA 63 H ALA 63 5.641 -12.892 2.193 477 HA ALA 63 HA ALA 63 3.227 -14.359 2.739 478 HB1 ALA 63 1HB ALA 63 5.540 -14.951 0.829 479 HB2 ALA 63 2HB ALA 63 3.946 -15.735 0.798 480 HB3 ALA 63 3HB ALA 63 4.084 -13.999 0.442 481 H GLN 64 H GLN 64 2.983 -16.140 3.983 482 HA GLN 64 HA GLN 64 4.541 -16.774 6.021 483 HB2 GLN 64 2HB GLN 64 2.361 -18.163 4.622 484 HB3 GLN 64 3HB GLN 64 3.436 -19.296 5.443 485 HG2 GLN 64 2HG GLN 64 3.230 -17.989 7.542 486 HG3 GLN 64 3HG GLN 64 2.081 -16.903 6.742 487 HE21 GLN 64 1HE2 GLN 64 2.111 -19.404 8.900 488 HE22 GLN 64 2HE2 GLN 64 0.601 -20.170 8.425 489 H LEU 65 H LEU 65 6.649 -17.135 6.115 490 HA LEU 65 HA LEU 65 7.894 -19.129 4.301 491 HB2 LEU 65 2HB LEU 65 8.503 -16.840 3.740 492 HB3 LEU 65 3HB LEU 65 8.823 -16.460 5.432 493 HG LEU 65 HG LEU 65 10.724 -18.091 5.426 494 HD11 LEU 65 1HD1 LEU 65 11.589 -18.871 3.238 495 HD12 LEU 65 2HD1 LEU 65 10.007 -19.574 3.587 496 HD13 LEU 65 3HD1 LEU 65 10.140 -18.226 2.435 497 HD21 LEU 65 1HD2 LEU 65 12.239 -16.658 4.141 498 HD22 LEU 65 2HD2 LEU 65 10.853 -15.936 3.280 499 HD23 LEU 65 3HD2 LEU 65 11.056 -15.675 5.021 500 HA PRO 66 HA PRO 66 8.718 -20.654 8.510 501 HB2 PRO 66 2HB PRO 66 9.233 -23.270 7.955 502 HB3 PRO 66 3HB PRO 66 7.590 -22.577 7.851 503 HG2 PRO 66 2HG PRO 66 9.563 -22.977 5.576 504 HG3 PRO 66 3HG PRO 66 7.846 -23.495 5.654 505 HD2 PRO 66 2HD PRO 66 8.612 -21.166 4.454 506 HD3 PRO 66 3HD PRO 66 7.071 -21.285 5.355 507 H SER 67 H SER 67 10.560 -19.014 7.982 508 HA SER 67 HA SER 67 13.095 -20.423 8.467 509 HB2 SER 67 2HB SER 67 12.850 -18.226 6.362 510 HB3 SER 67 3HB SER 67 14.346 -18.981 6.941 511 HG SER 67 HG SER 67 13.717 -19.906 5.032 512 H GLU 68 H GLU 68 11.669 -17.111 7.900 513 HA GLU 68 HA GLU 68 12.364 -16.238 10.572 514 HB2 GLU 68 2HB GLU 68 13.867 -14.457 9.769 515 HB3 GLU 68 3HB GLU 68 14.520 -16.038 9.387 516 HG2 GLU 68 2HG GLU 68 12.896 -15.220 7.134 517 HG3 GLU 68 3HG GLU 68 13.890 -13.847 7.601 518 H SER 69 H SER 69 12.085 -13.435 10.005 519 HA SER 69 HA SER 69 9.949 -12.994 8.126 520 HB2 SER 69 2HB SER 69 8.468 -11.969 9.908 521 HB3 SER 69 3HB SER 69 8.555 -13.741 9.966 522 HG SER 69 HG SER 69 10.292 -12.097 11.456 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -18.574 38.815 -20.030 2 H2 MET 1 H2 MET 1 -19.522 38.914 -21.377 3 H3 MET 1 H3 MET 1 -18.017 38.240 -21.466 4 HA MET 1 HA MET 1 -17.992 40.402 -22.427 5 HB2 MET 1 2HB MET 1 -19.104 41.179 -19.727 6 HB3 MET 1 3HB MET 1 -18.163 42.336 -20.698 7 HG2 MET 1 2HG MET 1 -19.638 42.164 -22.557 8 HG3 MET 1 3HG MET 1 -20.515 40.807 -21.848 9 HE1 MET 1 1HE MET 1 -20.631 44.719 -22.312 10 HE2 MET 1 2HE MET 1 -21.523 43.454 -23.191 11 HE3 MET 1 3HE MET 1 -22.387 44.559 -22.099 12 H LYS 2 H LYS 2 -16.805 41.232 -19.147 13 HA LYS 2 HA LYS 2 -14.139 40.205 -20.006 14 HB2 LYS 2 2HB LYS 2 -14.372 42.670 -20.435 15 HB3 LYS 2 3HB LYS 2 -14.749 42.894 -18.722 16 HG2 LYS 2 2HG LYS 2 -12.463 41.607 -18.325 17 HG3 LYS 2 3HG LYS 2 -12.142 41.998 -20.008 18 HD2 LYS 2 2HD LYS 2 -12.138 44.342 -19.556 19 HD3 LYS 2 3HD LYS 2 -12.950 44.127 -17.982 20 HE2 LYS 2 2HE LYS 2 -11.061 43.031 -17.015 21 HE3 LYS 2 3HE LYS 2 -10.246 42.879 -18.578 22 HZ1 LYS 2 1HZ LYS 2 -9.973 45.249 -18.630 23 HZ2 LYS 2 2HZ LYS 2 -10.794 45.439 -17.213 24 HZ3 LYS 2 3HZ LYS 2 -9.344 44.663 -17.229 25 H GLN 3 H GLN 3 -14.853 38.360 -18.608 26 HA GLN 3 HA GLN 3 -13.818 38.774 -15.947 27 HB2 GLN 3 2HB GLN 3 -16.730 38.142 -16.433 28 HB3 GLN 3 3HB GLN 3 -15.895 37.225 -15.176 29 HG2 GLN 3 2HG GLN 3 -15.185 39.279 -14.049 30 HG3 GLN 3 3HG GLN 3 -15.980 40.262 -15.285 31 HE21 GLN 3 1HE2 GLN 3 -16.434 38.968 -12.199 32 HE22 GLN 3 2HE2 GLN 3 -18.189 39.073 -12.205 33 H ASP 4 H ASP 4 -13.487 36.667 -14.946 34 HA ASP 4 HA ASP 4 -12.585 34.594 -16.789 35 HB2 ASP 4 2HB ASP 4 -11.683 33.588 -14.717 36 HB3 ASP 4 3HB ASP 4 -11.157 35.247 -14.929 37 H GLY 5 H GLY 5 -13.148 32.319 -15.198 38 HA2 GLY 5 2HA GLY 5 -16.096 32.098 -15.223 39 HA3 GLY 5 3HA GLY 5 -15.125 31.017 -16.250 40 H GLU 6 H GLU 6 -15.826 29.116 -14.920 41 HA GLU 6 HA GLU 6 -14.308 28.945 -12.395 42 HB2 GLU 6 2HB GLU 6 -17.275 28.339 -12.750 43 HB3 GLU 6 3HB GLU 6 -16.288 27.659 -11.449 44 HG2 GLU 6 2HG GLU 6 -15.650 30.019 -10.790 45 HG3 GLU 6 3HG GLU 6 -16.886 30.600 -11.921 46 H GLU 7 H GLU 7 -14.205 26.581 -11.687 47 HA GLU 7 HA GLU 7 -14.527 24.621 -13.781 48 HB2 GLU 7 2HB GLU 7 -12.303 25.524 -14.262 49 HB3 GLU 7 3HB GLU 7 -11.808 25.335 -12.573 50 HG2 GLU 7 2HG GLU 7 -11.597 23.035 -12.742 51 HG3 GLU 7 3HG GLU 7 -12.897 22.893 -13.930 52 H GLY 8 H GLY 8 -15.367 22.949 -12.702 53 HA2 GLY 8 2HA GLY 8 -15.456 22.990 -9.739 54 HA3 GLY 8 3HA GLY 8 -16.467 22.009 -10.820 55 H THR 9 H THR 9 -15.640 20.432 -8.956 56 HA THR 9 HA THR 9 -13.367 18.911 -10.062 57 HB THR 9 HB THR 9 -12.510 18.605 -7.743 58 HG1 THR 9 1HG THR 9 -14.310 19.101 -6.546 59 HG21 THR 9 1HG2 THR 9 -12.645 21.571 -8.432 60 HG22 THR 9 2HG2 THR 9 -11.417 20.742 -7.462 61 HG23 THR 9 3HG2 THR 9 -11.543 20.407 -9.204 62 H GLU 10 H GLU 10 -13.333 16.757 -8.713 63 HA GLU 10 HA GLU 10 -16.098 15.782 -8.226 64 HB2 GLU 10 2HB GLU 10 -15.256 13.641 -9.206 65 HB3 GLU 10 3HB GLU 10 -15.381 14.949 -10.373 66 HG2 GLU 10 2HG GLU 10 -12.729 14.308 -9.017 67 HG3 GLU 10 3HG GLU 10 -13.292 13.404 -10.418 68 H GLU 11 H GLU 11 -16.102 13.815 -6.720 69 HA GLU 11 HA GLU 11 -14.295 14.119 -4.521 70 HB2 GLU 11 2HB GLU 11 -16.119 11.813 -5.381 71 HB3 GLU 11 3HB GLU 11 -15.106 11.781 -3.940 72 HG2 GLU 11 2HG GLU 11 -16.963 12.539 -2.940 73 HG3 GLU 11 3HG GLU 11 -16.286 14.098 -3.394 74 H ASP 12 H ASP 12 -12.538 12.797 -3.890 75 HA ASP 12 HA ASP 12 -11.605 10.757 -5.757 76 HB2 ASP 12 2HB ASP 12 -10.782 13.207 -6.399 77 HB3 ASP 12 3HB ASP 12 -9.654 12.975 -5.070 78 H THR 13 H THR 13 -12.139 9.514 -3.884 79 HA THR 13 HA THR 13 -9.924 9.431 -1.934 80 HB THR 13 HB THR 13 -12.483 10.708 -1.368 81 HG1 THR 13 1HG THR 13 -10.546 11.673 -1.212 82 HG21 THR 13 1HG2 THR 13 -11.446 8.886 0.830 83 HG22 THR 13 2HG2 THR 13 -12.699 10.134 0.959 84 HG23 THR 13 3HG2 THR 13 -12.996 8.702 -0.037 85 H GLU 14 H GLU 14 -11.981 7.597 -3.736 86 HA GLU 14 HA GLU 14 -12.566 5.471 -1.966 87 HB2 GLU 14 2HB GLU 14 -12.341 5.670 -5.011 88 HB3 GLU 14 3HB GLU 14 -12.845 4.216 -4.161 89 HG2 GLU 14 2HG GLU 14 -14.908 5.100 -4.522 90 HG3 GLU 14 3HG GLU 14 -14.581 5.856 -2.972 91 H GLU 15 H GLU 15 -9.875 5.968 -4.309 92 HA GLU 15 HA GLU 15 -8.441 3.770 -2.913 93 HB2 GLU 15 2HB GLU 15 -7.637 3.007 -5.114 94 HB3 GLU 15 3HB GLU 15 -9.334 2.724 -4.792 95 HG2 GLU 15 2HG GLU 15 -10.047 4.485 -6.257 96 HG3 GLU 15 3HG GLU 15 -8.405 5.070 -6.488 97 H LYS 16 H LYS 16 -6.903 4.807 -1.825 98 HA LYS 16 HA LYS 16 -4.974 6.420 -3.357 99 HB2 LYS 16 2HB LYS 16 -4.824 7.867 -1.165 100 HB3 LYS 16 3HB LYS 16 -6.014 8.266 -2.393 101 HG2 LYS 16 2HG LYS 16 -7.796 7.198 -1.189 102 HG3 LYS 16 3HG LYS 16 -6.641 6.511 -0.038 103 HD2 LYS 16 2HD LYS 16 -7.855 8.415 0.926 104 HD3 LYS 16 3HD LYS 16 -6.120 8.783 0.806 105 HE2 LYS 16 2HE LYS 16 -6.446 10.156 -1.137 106 HE3 LYS 16 3HE LYS 16 -8.079 9.532 -1.386 107 HZ1 LYS 16 1HZ LYS 16 -8.029 11.757 -0.446 108 HZ2 LYS 16 2HZ LYS 16 -8.862 10.706 0.471 109 HZ3 LYS 16 3HZ LYS 16 -7.338 11.177 0.937 110 H CYS 17 H CYS 17 -2.973 6.019 -2.836 111 HA CYS 17 HA CYS 17 -1.993 3.777 -1.228 112 HB2 CYS 17 2HB CYS 17 -0.936 4.814 -3.263 113 HB3 CYS 17 3HB CYS 17 -0.727 6.298 -2.362 114 H THR 18 H THR 18 -1.785 3.804 0.972 115 HA THR 18 HA THR 18 -2.122 6.293 2.407 116 HB THR 18 HB THR 18 -3.002 4.074 3.145 117 HG1 THR 18 1HG THR 18 -1.418 5.700 4.834 118 HG21 THR 18 1HG2 THR 18 -0.168 3.673 4.186 119 HG22 THR 18 2HG2 THR 18 -1.563 2.602 4.387 120 HG23 THR 18 3HG2 THR 18 -0.833 2.831 2.773 121 H ILE 19 H ILE 19 0.713 4.844 0.996 122 HA ILE 19 HA ILE 19 2.496 5.749 3.120 123 HB ILE 19 HB ILE 19 2.806 4.274 0.504 124 HG12 ILE 19 2HG1 ILE 19 3.645 3.371 3.274 125 HG13 ILE 19 3HG1 ILE 19 1.947 3.249 2.799 126 HG21 ILE 19 1HG2 ILE 19 4.781 5.641 0.670 127 HG22 ILE 19 2HG2 ILE 19 4.926 5.325 2.415 128 HG23 ILE 19 3HG2 ILE 19 5.242 4.032 1.243 129 HD11 ILE 19 1HD1 ILE 19 3.241 1.174 2.355 130 HD12 ILE 19 2HD1 ILE 19 2.465 1.868 0.908 131 HD13 ILE 19 3HD1 ILE 19 4.214 2.056 1.164 132 H CYS 20 H CYS 20 1.973 6.432 -0.392 133 HA CYS 20 HA CYS 20 3.553 8.966 -0.260 134 HB2 CYS 20 2HB CYS 20 1.701 8.306 -2.520 135 HB3 CYS 20 3HB CYS 20 3.222 9.186 -2.501 136 H LEU 21 H LEU 21 0.446 8.007 0.791 137 HA LEU 21 HA LEU 21 -1.558 8.941 0.951 138 HB2 LEU 21 2HB LEU 21 0.239 11.233 1.789 139 HB3 LEU 21 3HB LEU 21 -1.509 11.222 2.056 140 HG LEU 21 HG LEU 21 0.335 9.016 3.068 141 HD11 LEU 21 1HD1 LEU 21 0.145 10.084 5.272 142 HD12 LEU 21 2HD1 LEU 21 0.969 11.129 4.102 143 HD13 LEU 21 3HD1 LEU 21 -0.727 11.454 4.538 144 HD21 LEU 21 1HD2 LEU 21 -2.514 9.816 3.840 145 HD22 LEU 21 2HD2 LEU 21 -2.076 8.401 2.866 146 HD23 LEU 21 3HD2 LEU 21 -1.566 8.489 4.549 147 H SER 22 H SER 22 -1.552 8.615 -1.449 148 HA SER 22 HA SER 22 -2.437 11.102 -2.754 149 HB2 SER 22 2HB SER 22 -0.130 9.371 -3.746 150 HB3 SER 22 3HB SER 22 -0.993 10.548 -4.753 151 HG SER 22 HG SER 22 0.294 11.222 -2.293 152 H ILE 23 H ILE 23 -3.806 10.625 -4.549 153 HA ILE 23 HA ILE 23 -5.329 8.204 -4.371 154 HB ILE 23 HB ILE 23 -5.202 10.709 -6.072 155 HG12 ILE 23 2HG1 ILE 23 -6.200 10.663 -3.743 156 HG13 ILE 23 3HG1 ILE 23 -7.232 11.302 -5.012 157 HG21 ILE 23 1HG2 ILE 23 -7.270 10.034 -7.250 158 HG22 ILE 23 2HG2 ILE 23 -5.822 9.208 -7.739 159 HG23 ILE 23 3HG2 ILE 23 -7.014 8.364 -6.710 160 HD11 ILE 23 1HD1 ILE 23 -7.420 8.406 -4.087 161 HD12 ILE 23 2HD1 ILE 23 -8.336 9.724 -3.369 162 HD13 ILE 23 3HD1 ILE 23 -8.576 9.304 -5.069 163 H LEU 24 H LEU 24 -5.665 6.782 -6.181 164 HA LEU 24 HA LEU 24 -3.235 6.132 -7.752 165 HB2 LEU 24 2HB LEU 24 -5.690 4.526 -6.895 166 HB3 LEU 24 3HB LEU 24 -4.257 3.852 -7.678 167 HG LEU 24 HG LEU 24 -4.048 5.270 -4.976 168 HD11 LEU 24 1HD1 LEU 24 -4.093 2.980 -4.029 169 HD12 LEU 24 2HD1 LEU 24 -5.631 3.577 -4.672 170 HD13 LEU 24 3HD1 LEU 24 -4.701 2.415 -5.630 171 HD21 LEU 24 1HD2 LEU 24 -1.985 5.003 -6.083 172 HD22 LEU 24 2HD2 LEU 24 -2.077 3.706 -4.845 173 HD23 LEU 24 3HD2 LEU 24 -2.359 3.330 -6.558 174 H GLU 25 H GLU 25 -4.902 4.355 -9.477 175 HA GLU 25 HA GLU 25 -7.043 5.937 -10.499 176 HB2 GLU 25 2HB GLU 25 -6.373 6.387 -12.696 177 HB3 GLU 25 3HB GLU 25 -5.055 6.969 -11.677 178 HG2 GLU 25 2HG GLU 25 -3.776 4.888 -12.195 179 HG3 GLU 25 3HG GLU 25 -5.081 4.365 -13.267 180 H GLU 26 H GLU 26 -8.004 4.701 -12.550 181 HA GLU 26 HA GLU 26 -8.697 2.158 -11.546 182 HB2 GLU 26 2HB GLU 26 -10.223 3.430 -12.895 183 HB3 GLU 26 3HB GLU 26 -9.130 3.412 -14.290 184 HG2 GLU 26 2HG GLU 26 -9.456 1.068 -14.652 185 HG3 GLU 26 3HG GLU 26 -10.126 0.830 -13.037 186 H GLY 27 H GLY 27 -7.109 0.683 -11.283 187 HA2 GLY 27 2HA GLY 27 -6.100 -1.288 -12.116 188 HA3 GLY 27 3HA GLY 27 -6.127 -0.615 -13.751 189 H GLU 28 H GLU 28 -4.860 1.413 -11.136 190 HA GLU 28 HA GLU 28 -2.345 1.654 -12.410 191 HB2 GLU 28 2HB GLU 28 -3.702 3.191 -10.760 192 HB3 GLU 28 3HB GLU 28 -2.846 2.323 -9.496 193 HG2 GLU 28 2HG GLU 28 -0.682 3.044 -10.564 194 HG3 GLU 28 3HG GLU 28 -1.603 3.885 -11.817 195 H ASP 29 H ASP 29 -0.255 1.249 -11.330 196 HA ASP 29 HA ASP 29 0.102 -1.477 -10.608 197 HB2 ASP 29 2HB ASP 29 2.075 0.783 -10.147 198 HB3 ASP 29 3HB ASP 29 2.420 -0.932 -10.345 199 H VAL 30 H VAL 30 -0.884 -2.143 -8.735 200 HA VAL 30 HA VAL 30 -0.024 -0.939 -6.170 201 HB VAL 30 HB VAL 30 -2.312 -1.012 -5.340 202 HG11 VAL 30 1HG1 VAL 30 -1.505 1.059 -6.454 203 HG12 VAL 30 2HG1 VAL 30 -2.225 0.504 -7.975 204 HG13 VAL 30 3HG1 VAL 30 -3.254 0.848 -6.598 205 HG21 VAL 30 1HG2 VAL 30 -3.093 -1.930 -8.139 206 HG22 VAL 30 2HG2 VAL 30 -3.291 -2.837 -6.623 207 HG23 VAL 30 3HG2 VAL 30 -4.222 -1.357 -6.910 208 H ARG 31 H ARG 31 -0.006 -2.516 -4.418 209 HA ARG 31 HA ARG 31 -0.339 -5.328 -5.338 210 HB2 ARG 31 2HB ARG 31 1.311 -4.376 -2.954 211 HB3 ARG 31 3HB ARG 31 1.072 -6.032 -3.467 212 HG2 ARG 31 2HG ARG 31 2.275 -5.374 -5.660 213 HG3 ARG 31 3HG ARG 31 2.821 -3.955 -4.718 214 HD2 ARG 31 2HD ARG 31 3.451 -5.660 -2.878 215 HD3 ARG 31 3HD ARG 31 3.214 -6.896 -4.132 216 HE ARG 31 HE ARG 31 5.108 -4.763 -4.830 217 HH11 ARG 31 1HH1 ARG 31 7.926 -6.813 -4.347 218 HH12 ARG 31 2HH1 ARG 31 7.367 -5.307 -4.918 219 HH21 ARG 31 1HH2 ARG 31 6.399 -8.324 -3.352 220 HH22 ARG 31 2HH2 ARG 31 4.727 -7.900 -3.227 221 H ARG 32 H ARG 32 -0.986 -6.708 -3.392 222 HA ARG 32 HA ARG 32 -2.833 -5.248 -1.582 223 HB2 ARG 32 2HB ARG 32 -3.826 -6.544 -3.676 224 HB3 ARG 32 3HB ARG 32 -3.408 -7.997 -2.774 225 HG2 ARG 32 2HG ARG 32 -5.339 -5.777 -2.014 226 HG3 ARG 32 3HG ARG 32 -5.689 -7.472 -2.365 227 HD2 ARG 32 2HD ARG 32 -4.079 -7.859 -0.216 228 HD3 ARG 32 3HD ARG 32 -4.535 -6.223 0.128 229 HE ARG 32 HE ARG 32 -6.786 -6.844 0.372 230 HH11 ARG 32 1HH1 ARG 32 -8.125 -10.095 0.607 231 HH12 ARG 32 2HH1 ARG 32 -8.390 -8.440 0.970 232 HH21 ARG 32 1HH2 ARG 32 -6.081 -10.790 -0.374 233 HH22 ARG 32 2HH2 ARG 32 -4.872 -9.605 -0.720 234 H LEU 33 H LEU 33 -1.899 -5.450 0.309 235 HA LEU 33 HA LEU 33 -0.134 -7.707 0.919 236 HB2 LEU 33 2HB LEU 33 0.064 -6.262 3.119 237 HB3 LEU 33 3HB LEU 33 0.898 -5.752 1.659 238 HG LEU 33 HG LEU 33 -1.890 -4.738 2.139 239 HD11 LEU 33 1HD1 LEU 33 -0.884 -2.858 3.507 240 HD12 LEU 33 2HD1 LEU 33 -0.760 -4.430 4.325 241 HD13 LEU 33 3HD1 LEU 33 0.654 -3.727 3.528 242 HD21 LEU 33 1HD2 LEU 33 0.622 -3.274 1.185 243 HD22 LEU 33 2HD2 LEU 33 -0.453 -4.098 0.057 244 HD23 LEU 33 3HD2 LEU 33 -1.062 -2.749 1.021 245 HA PRO 34 HA PRO 34 -2.965 -10.190 2.702 246 HB2 PRO 34 2HB PRO 34 -1.815 -11.307 4.947 247 HB3 PRO 34 3HB PRO 34 -1.305 -11.655 3.267 248 HG2 PRO 34 2HG PRO 34 -0.061 -9.748 5.245 249 HG3 PRO 34 3HG PRO 34 0.751 -10.896 4.132 250 HD2 PRO 34 2HD PRO 34 0.458 -8.218 3.627 251 HD3 PRO 34 3HD PRO 34 0.540 -9.398 2.320 252 H CYS 35 H CYS 35 -1.873 -7.659 4.791 253 HA CYS 35 HA CYS 35 -3.965 -7.600 6.836 254 HB2 CYS 35 2HB CYS 35 -1.628 -6.599 6.836 255 HB3 CYS 35 3HB CYS 35 -2.237 -5.460 5.617 256 H MET 36 H MET 36 -4.751 -7.768 3.722 257 HA MET 36 HA MET 36 -6.296 -6.890 2.379 258 HB2 MET 36 2HB MET 36 -7.729 -6.407 5.005 259 HB3 MET 36 3HB MET 36 -8.468 -6.328 3.398 260 HG2 MET 36 2HG MET 36 -7.107 -8.769 3.363 261 HG3 MET 36 3HG MET 36 -7.752 -8.684 4.996 262 HE1 MET 36 1HE MET 36 -10.450 -7.030 4.609 263 HE2 MET 36 2HE MET 36 -11.621 -8.338 4.331 264 HE3 MET 36 3HE MET 36 -10.353 -8.529 5.564 265 H HIS 37 H HIS 37 -4.286 -5.205 2.432 266 HA HIS 37 HA HIS 37 -5.641 -2.562 2.362 267 HB2 HIS 37 1HB HIS 37 -3.129 -3.382 3.791 268 HB3 HIS 37 2HB HIS 37 -3.093 -1.843 2.931 269 HD2 HIS 37 2HD HIS 37 -5.898 -0.642 3.505 270 HE1 HIS 37 1HE HIS 37 -5.034 -1.065 7.643 271 HE2 HIS 37 2HE HIS 37 -6.522 0.100 5.927 272 H LEU 38 H LEU 38 -5.023 -1.221 0.628 273 HA LEU 38 HA LEU 38 -3.637 -2.635 -1.596 274 HB2 LEU 38 2HB LEU 38 -6.054 -2.263 -1.939 275 HB3 LEU 38 3HB LEU 38 -5.874 -0.542 -1.630 276 HG LEU 38 HG LEU 38 -4.163 -1.789 -3.780 277 HD11 LEU 38 1HD1 LEU 38 -6.034 -1.533 -5.415 278 HD12 LEU 38 2HD1 LEU 38 -6.352 -2.800 -4.221 279 HD13 LEU 38 3HD1 LEU 38 -7.144 -1.211 -4.073 280 HD21 LEU 38 1HD2 LEU 38 -5.742 0.825 -3.630 281 HD22 LEU 38 2HD2 LEU 38 -4.000 0.666 -3.319 282 HD23 LEU 38 3HD2 LEU 38 -4.644 0.325 -4.924 283 H PHE 39 H PHE 39 -1.663 -1.730 -1.935 284 HA PHE 39 HA PHE 39 -1.246 1.161 -1.283 285 HB2 PHE 39 2HB PHE 39 0.558 -1.232 -0.743 286 HB3 PHE 39 3HB PHE 39 1.120 0.425 -0.716 287 HD1 PHE 39 1HD PHE 39 -2.083 0.535 0.917 288 HD2 PHE 39 2HD PHE 39 1.989 -0.726 1.457 289 HE1 PHE 39 1HE PHE 39 -2.414 0.531 3.338 290 HE2 PHE 39 2HE PHE 39 1.679 -0.659 3.903 291 HZ PHE 39 HZ PHE 39 -0.532 -0.041 4.859 292 H HIS 40 H HIS 40 0.499 2.083 -2.734 293 HA HIS 40 HA HIS 40 0.459 1.191 -5.474 294 HB2 HIS 40 1HB HIS 40 2.331 2.848 -3.799 295 HB3 HIS 40 2HB HIS 40 2.884 2.321 -5.372 296 HD2 HIS 40 2HD HIS 40 0.671 2.943 -7.388 297 HE1 HIS 40 1HE HIS 40 0.630 6.865 -5.718 298 HE2 HIS 40 2HE HIS 40 -0.078 5.388 -7.716 299 H GLN 41 H GLN 41 1.960 -0.051 -6.647 300 HA GLN 41 HA GLN 41 3.497 -2.087 -5.330 301 HB2 GLN 41 2HB GLN 41 3.046 -1.123 -8.120 302 HB3 GLN 41 3HB GLN 41 4.622 -1.875 -7.831 303 HG2 GLN 41 2HG GLN 41 3.632 -3.853 -6.919 304 HG3 GLN 41 3HG GLN 41 2.019 -3.121 -6.903 305 HE21 GLN 41 1HE2 GLN 41 0.731 -4.181 -8.433 306 HE22 GLN 41 2HE2 GLN 41 1.366 -4.636 -10.004 307 H VAL 42 H VAL 42 4.407 1.061 -6.842 308 HA VAL 42 HA VAL 42 7.151 0.827 -6.279 309 HB VAL 42 HB VAL 42 5.398 3.311 -6.515 310 HG11 VAL 42 1HG1 VAL 42 7.527 4.478 -7.133 311 HG12 VAL 42 2HG1 VAL 42 7.504 3.963 -5.443 312 HG13 VAL 42 3HG1 VAL 42 8.436 3.032 -6.638 313 HG21 VAL 42 1HG2 VAL 42 6.279 3.343 -8.840 314 HG22 VAL 42 2HG2 VAL 42 7.151 1.829 -8.528 315 HG23 VAL 42 3HG2 VAL 42 5.375 1.859 -8.528 316 H CYS 43 H CYS 43 4.745 2.708 -4.323 317 HA CYS 43 HA CYS 43 6.478 3.342 -2.178 318 HB2 CYS 43 2HB CYS 43 3.512 2.760 -1.965 319 HB3 CYS 43 3HB CYS 43 4.515 3.774 -0.932 320 H VAL 44 H VAL 44 4.302 0.407 -2.510 321 HA VAL 44 HA VAL 44 5.063 -0.450 0.073 322 HB VAL 44 HB VAL 44 2.935 -1.006 -1.185 323 HG11 VAL 44 1HG1 VAL 44 4.570 -3.383 -2.142 324 HG12 VAL 44 2HG1 VAL 44 2.890 -2.926 -2.556 325 HG13 VAL 44 3HG1 VAL 44 4.260 -1.984 -3.170 326 HG21 VAL 44 1HG2 VAL 44 4.429 -3.297 0.128 327 HG22 VAL 44 2HG2 VAL 44 3.691 -1.962 1.010 328 HG23 VAL 44 3HG2 VAL 44 2.669 -3.063 0.044 329 H ASP 45 H ASP 45 6.625 -0.774 -3.034 330 HA ASP 45 HA ASP 45 8.184 -3.087 -2.488 331 HB2 ASP 45 2HB ASP 45 8.101 -1.114 -4.534 332 HB3 ASP 45 3HB ASP 45 9.723 -1.004 -3.874 333 H GLN 46 H GLN 46 8.966 0.375 -2.002 334 HA GLN 46 HA GLN 46 11.258 -0.180 -0.344 335 HB2 GLN 46 2HB GLN 46 9.494 2.307 -0.621 336 HB3 GLN 46 3HB GLN 46 11.010 2.289 0.280 337 HG2 GLN 46 2HG GLN 46 10.815 1.610 -2.693 338 HG3 GLN 46 3HG GLN 46 11.139 3.227 -2.064 339 HE21 GLN 46 1HE2 GLN 46 13.164 2.791 -3.522 340 HE22 GLN 46 2HE2 GLN 46 14.507 2.059 -2.651 341 H ALA 47 H ALA 47 7.824 0.170 0.433 342 HA ALA 47 HA ALA 47 8.164 0.425 3.246 343 HB1 ALA 47 1HB ALA 47 6.027 0.638 1.945 344 HB2 ALA 47 2HB ALA 47 6.004 -1.139 1.791 345 HB3 ALA 47 3HB ALA 47 5.890 -0.388 3.397 346 H LEU 48 H LEU 48 7.665 -2.529 1.284 347 HA LEU 48 HA LEU 48 7.877 -4.404 3.334 348 HB2 LEU 48 2HB LEU 48 6.856 -4.669 1.097 349 HB3 LEU 48 3HB LEU 48 8.445 -4.684 0.340 350 HG LEU 48 HG LEU 48 7.754 -6.679 2.514 351 HD11 LEU 48 1HD1 LEU 48 5.883 -6.784 0.948 352 HD12 LEU 48 2HD1 LEU 48 7.009 -6.933 -0.419 353 HD13 LEU 48 3HD1 LEU 48 6.896 -8.225 0.803 354 HD21 LEU 48 1HD2 LEU 48 9.501 -6.862 0.007 355 HD22 LEU 48 2HD2 LEU 48 10.111 -6.666 1.657 356 HD23 LEU 48 3HD2 LEU 48 9.278 -8.153 1.205 357 H ILE 49 H ILE 49 10.467 -3.216 1.062 358 HA ILE 49 HA ILE 49 12.449 -4.942 2.187 359 HB ILE 49 HB ILE 49 14.080 -3.682 1.055 360 HG12 ILE 49 2HG1 ILE 49 13.069 -1.605 -0.348 361 HG13 ILE 49 3HG1 ILE 49 12.239 -1.425 1.204 362 HG21 ILE 49 1HG2 ILE 49 11.635 -3.772 -0.722 363 HG22 ILE 49 2HG2 ILE 49 13.335 -3.860 -1.204 364 HG23 ILE 49 3HG2 ILE 49 12.626 -5.168 -0.249 365 HD11 ILE 49 1HD1 ILE 49 14.442 -1.517 2.374 366 HD12 ILE 49 2HD1 ILE 49 15.241 -1.634 0.792 367 HD13 ILE 49 3HD1 ILE 49 14.333 -0.171 1.224 368 H THR 50 H THR 50 11.395 -1.599 3.107 369 HA THR 50 HA THR 50 13.438 -1.260 5.022 370 HB THR 50 HB THR 50 10.652 -0.070 4.719 371 HG1 THR 50 1HG THR 50 13.308 0.722 4.141 372 HG21 THR 50 1HG2 THR 50 11.157 0.168 7.085 373 HG22 THR 50 2HG2 THR 50 12.812 0.719 6.719 374 HG23 THR 50 3HG2 THR 50 11.406 1.719 6.277 375 H ASN 51 H ASN 51 10.104 -2.619 5.349 376 HA ASN 51 HA ASN 51 10.990 -4.338 7.471 377 HB2 ASN 51 2HB ASN 51 9.553 -3.507 9.234 378 HB3 ASN 51 3HB ASN 51 10.615 -2.198 8.733 379 HD21 ASN 51 1HD2 ASN 51 7.308 -3.188 9.139 380 HD22 ASN 51 2HD2 ASN 51 6.569 -1.845 8.324 381 H LYS 52 H LYS 52 9.764 -6.226 7.239 382 HA LYS 52 HA LYS 52 7.427 -6.100 5.459 383 HB2 LYS 52 2HB LYS 52 8.690 -8.467 6.920 384 HB3 LYS 52 3HB LYS 52 7.354 -8.527 5.768 385 HG2 LYS 52 2HG LYS 52 9.042 -9.020 4.344 386 HG3 LYS 52 3HG LYS 52 9.011 -7.273 4.151 387 HD2 LYS 52 2HD LYS 52 10.974 -7.021 5.581 388 HD3 LYS 52 3HD LYS 52 10.893 -8.749 6.022 389 HE2 LYS 52 2HE LYS 52 11.045 -9.248 3.522 390 HE3 LYS 52 3HE LYS 52 11.468 -7.533 3.282 391 HZ1 LYS 52 1HZ LYS 52 12.859 -9.567 4.871 392 HZ2 LYS 52 2HZ LYS 52 13.402 -8.906 3.461 393 HZ3 LYS 52 3HZ LYS 52 13.340 -7.960 4.806 394 H LYS 53 H LYS 53 6.564 -4.498 7.381 395 HA LYS 53 HA LYS 53 4.485 -6.192 8.563 396 HB2 LYS 53 2HB LYS 53 6.097 -4.267 10.307 397 HB3 LYS 53 3HB LYS 53 4.465 -4.802 10.667 398 HG2 LYS 53 2HG LYS 53 5.598 -6.281 11.929 399 HG3 LYS 53 3HG LYS 53 5.444 -7.230 10.456 400 HD2 LYS 53 2HD LYS 53 7.786 -6.564 9.834 401 HD3 LYS 53 3HD LYS 53 7.910 -5.637 11.330 402 HE2 LYS 53 2HE LYS 53 7.334 -8.631 11.152 403 HE3 LYS 53 3HE LYS 53 8.941 -7.941 11.410 404 HZ1 LYS 53 1HZ LYS 53 8.145 -6.964 13.454 405 HZ2 LYS 53 2HZ LYS 53 6.637 -7.598 13.219 406 HZ3 LYS 53 3HZ LYS 53 7.919 -8.594 13.474 407 H CYS 54 H CYS 54 2.559 -5.252 8.102 408 HA CYS 54 HA CYS 54 2.317 -2.927 6.399 409 HB2 CYS 54 2HB CYS 54 0.647 -4.705 6.489 410 HB3 CYS 54 3HB CYS 54 0.332 -4.348 8.188 411 HA PRO 55 HA PRO 55 3.302 -0.336 9.915 412 HB2 PRO 55 2HB PRO 55 3.634 2.083 8.673 413 HB3 PRO 55 3HB PRO 55 4.774 0.719 8.486 414 HG2 PRO 55 2HG PRO 55 2.487 1.481 6.641 415 HG3 PRO 55 3HG PRO 55 4.202 1.170 6.205 416 HD2 PRO 55 2HD PRO 55 2.302 -0.760 5.993 417 HD3 PRO 55 3HD PRO 55 3.959 -1.155 6.547 418 H ILE 56 H ILE 56 0.298 -0.607 8.688 419 HA ILE 56 HA ILE 56 -0.748 1.489 10.502 420 HB ILE 56 HB ILE 56 -0.906 2.202 8.143 421 HG12 ILE 56 2HG1 ILE 56 -3.231 2.801 7.984 422 HG13 ILE 56 3HG1 ILE 56 -3.700 1.624 9.201 423 HG21 ILE 56 1HG2 ILE 56 -2.637 -0.260 7.771 424 HG22 ILE 56 2HG2 ILE 56 -2.431 1.042 6.581 425 HG23 ILE 56 3HG2 ILE 56 -1.042 0.054 7.043 426 HD11 ILE 56 1HD1 ILE 56 -2.430 2.858 10.919 427 HD12 ILE 56 2HD1 ILE 56 -1.802 3.969 9.675 428 HD13 ILE 56 3HD1 ILE 56 -3.532 3.960 10.075 429 H CYS 57 H CYS 57 -0.134 -1.556 10.513 430 HA CYS 57 HA CYS 57 -2.709 -2.460 11.813 431 HB2 CYS 57 2HB CYS 57 -1.167 -4.042 9.728 432 HB3 CYS 57 3HB CYS 57 -2.544 -4.588 10.694 433 H ARG 58 H ARG 58 0.592 -3.398 10.896 434 HA ARG 58 HA ARG 58 2.427 -3.731 12.217 435 HB2 ARG 58 2HB ARG 58 1.140 -2.948 14.261 436 HB3 ARG 58 3HB ARG 58 0.703 -4.638 14.553 437 HG2 ARG 58 2HG ARG 58 2.817 -5.207 15.231 438 HG3 ARG 58 3HG ARG 58 3.617 -4.091 14.111 439 HD2 ARG 58 2HD ARG 58 2.069 -3.187 16.571 440 HD3 ARG 58 3HD ARG 58 3.808 -3.454 16.571 441 HE ARG 58 HE ARG 58 2.306 -1.265 15.335 442 HH11 ARG 58 1HH1 ARG 58 5.189 0.355 14.115 443 HH12 ARG 58 2HH1 ARG 58 3.484 0.468 14.327 444 HH21 ARG 58 1HH2 ARG 58 6.337 -1.595 14.823 445 HH22 ARG 58 2HH2 ARG 58 5.431 -2.883 15.541 446 H VAL 59 H VAL 59 -0.046 -5.661 11.150 447 HA VAL 59 HA VAL 59 0.837 -8.295 11.764 448 HB VAL 59 HB VAL 59 -0.754 -7.123 9.439 449 HG11 VAL 59 1HG1 VAL 59 -0.510 -10.023 10.352 450 HG12 VAL 59 2HG1 VAL 59 -1.743 -9.414 9.227 451 HG13 VAL 59 3HG1 VAL 59 -0.048 -9.344 8.773 452 HG21 VAL 59 1HG2 VAL 59 -2.732 -7.857 10.715 453 HG22 VAL 59 2HG2 VAL 59 -1.689 -8.468 12.015 454 HG23 VAL 59 3HG2 VAL 59 -1.791 -6.727 11.687 455 H ASP 60 H ASP 60 1.980 -9.748 10.390 456 HA ASP 60 HA ASP 60 4.303 -8.625 9.021 457 HB2 ASP 60 2HB ASP 60 4.394 -10.601 10.541 458 HB3 ASP 60 3HB ASP 60 3.336 -11.484 9.431 459 H ILE 61 H ILE 61 4.722 -8.851 6.819 460 HA ILE 61 HA ILE 61 2.486 -9.849 5.108 461 HB ILE 61 HB ILE 61 3.031 -8.211 3.481 462 HG12 ILE 61 2HG1 ILE 61 5.142 -7.169 5.413 463 HG13 ILE 61 3HG1 ILE 61 5.475 -8.041 3.905 464 HG21 ILE 61 1HG2 ILE 61 2.066 -6.308 4.526 465 HG22 ILE 61 2HG2 ILE 61 1.496 -7.686 5.483 466 HG23 ILE 61 3HG2 ILE 61 2.834 -6.700 6.096 467 HD11 ILE 61 1HD1 ILE 61 5.714 -5.756 3.415 468 HD12 ILE 61 2HD1 ILE 61 4.170 -6.308 2.689 469 HD13 ILE 61 3HD1 ILE 61 4.168 -5.346 4.196 470 H GLU 62 H GLU 62 5.781 -10.220 5.926 471 HA GLU 62 HA GLU 62 6.911 -11.022 3.477 472 HB2 GLU 62 2HB GLU 62 8.124 -10.679 5.673 473 HB3 GLU 62 3HB GLU 62 7.604 -12.290 6.160 474 HG2 GLU 62 2HG GLU 62 8.831 -13.315 4.352 475 HG3 GLU 62 3HG GLU 62 9.031 -11.778 3.515 476 H ALA 63 H ALA 63 5.734 -12.265 2.127 477 HA ALA 63 HA ALA 63 4.187 -14.521 2.954 478 HB1 ALA 63 1HB ALA 63 5.286 -13.800 0.198 479 HB2 ALA 63 2HB ALA 63 3.964 -14.940 0.525 480 HB3 ALA 63 3HB ALA 63 3.749 -13.217 0.885 481 H GLN 64 H GLN 64 4.602 -16.751 1.849 482 HA GLN 64 HA GLN 64 6.968 -17.834 2.994 483 HB2 GLN 64 2HB GLN 64 4.729 -19.016 2.368 484 HB3 GLN 64 3HB GLN 64 5.398 -19.120 0.732 485 HG2 GLN 64 2HG GLN 64 7.447 -20.265 1.803 486 HG3 GLN 64 3HG GLN 64 6.516 -20.323 3.304 487 HE21 GLN 64 1HE2 GLN 64 5.026 -22.080 3.541 488 HE22 GLN 64 2HE2 GLN 64 4.700 -23.173 2.203 489 H LEU 65 H LEU 65 8.872 -18.491 2.066 490 HA LEU 65 HA LEU 65 10.525 -18.862 0.592 491 HB2 LEU 65 2HB LEU 65 8.522 -18.968 -1.202 492 HB3 LEU 65 3HB LEU 65 9.275 -17.492 -1.765 493 HG LEU 65 HG LEU 65 11.440 -19.280 -1.303 494 HD11 LEU 65 1HD1 LEU 65 10.784 -21.320 -2.502 495 HD12 LEU 65 2HD1 LEU 65 9.731 -21.093 -1.091 496 HD13 LEU 65 3HD1 LEU 65 9.135 -20.695 -2.714 497 HD21 LEU 65 1HD2 LEU 65 9.994 -18.627 -3.900 498 HD22 LEU 65 2HD2 LEU 65 11.318 -17.697 -3.159 499 HD23 LEU 65 3HD2 LEU 65 11.619 -19.338 -3.762 500 HA PRO 66 HA PRO 66 11.215 -14.504 1.837 501 HB2 PRO 66 2HB PRO 66 13.597 -14.852 3.184 502 HB3 PRO 66 3HB PRO 66 11.987 -15.166 3.904 503 HG2 PRO 66 2HG PRO 66 13.888 -17.165 2.647 504 HG3 PRO 66 3HG PRO 66 13.015 -17.297 4.208 505 HD2 PRO 66 2HD PRO 66 12.094 -18.480 1.947 506 HD3 PRO 66 3HD PRO 66 10.956 -17.735 3.117 507 H SER 67 H SER 67 12.044 -13.091 0.361 508 HA SER 67 HA SER 67 14.524 -13.734 -1.073 509 HB2 SER 67 2HB SER 67 12.536 -14.701 -2.334 510 HB3 SER 67 3HB SER 67 11.899 -13.052 -2.471 511 HG SER 67 HG SER 67 14.304 -14.122 -3.532 512 H GLU 68 H GLU 68 15.577 -11.803 -1.753 513 HA GLU 68 HA GLU 68 14.505 -9.173 -1.191 514 HB2 GLU 68 2HB GLU 68 15.514 -10.782 0.948 515 HB3 GLU 68 3HB GLU 68 16.831 -9.703 0.561 516 HG2 GLU 68 2HG GLU 68 13.961 -8.735 0.997 517 HG3 GLU 68 3HG GLU 68 15.053 -9.034 2.344 518 H SER 69 H SER 69 16.260 -7.538 -1.946 519 HA SER 69 HA SER 69 18.710 -8.516 -2.973 520 HB2 SER 69 2HB SER 69 17.122 -9.480 -4.710 521 HB3 SER 69 3HB SER 69 16.580 -7.818 -5.042 522 HG SER 69 HG SER 69 18.940 -7.415 -5.318 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -13.814 24.312 -26.700 2 H2 MET 1 H2 MET 1 -14.974 25.064 -27.605 3 H3 MET 1 H3 MET 1 -15.074 23.445 -27.308 4 HA MET 1 HA MET 1 -14.387 23.803 -29.528 5 HB2 MET 1 2HB MET 1 -12.118 25.371 -28.257 6 HB3 MET 1 3HB MET 1 -12.042 24.667 -29.883 7 HG2 MET 1 2HG MET 1 -14.364 25.862 -30.227 8 HG3 MET 1 3HG MET 1 -13.847 26.852 -28.858 9 HE1 MET 1 1HE MET 1 -12.006 26.704 -33.100 10 HE2 MET 1 2HE MET 1 -11.995 25.267 -32.060 11 HE3 MET 1 3HE MET 1 -13.541 25.971 -32.588 12 H LYS 2 H LYS 2 -11.236 23.355 -27.782 13 HA LYS 2 HA LYS 2 -11.674 20.438 -28.139 14 HB2 LYS 2 2HB LYS 2 -10.541 21.611 -30.122 15 HB3 LYS 2 3HB LYS 2 -9.153 21.870 -29.058 16 HG2 LYS 2 2HG LYS 2 -8.986 19.405 -28.704 17 HG3 LYS 2 3HG LYS 2 -10.460 19.175 -29.661 18 HD2 LYS 2 2HD LYS 2 -8.668 18.668 -31.124 19 HD3 LYS 2 3HD LYS 2 -9.266 20.259 -31.622 20 HE2 LYS 2 2HE LYS 2 -7.423 21.326 -30.295 21 HE3 LYS 2 3HE LYS 2 -6.843 19.716 -29.841 22 HZ1 LYS 2 1HZ LYS 2 -6.451 19.269 -32.179 23 HZ2 LYS 2 2HZ LYS 2 -6.984 20.768 -32.598 24 HZ3 LYS 2 3HZ LYS 2 -5.616 20.601 -31.702 25 H GLN 3 H GLN 3 -12.040 20.604 -25.829 26 HA GLN 3 HA GLN 3 -9.705 20.056 -24.273 27 HB2 GLN 3 2HB GLN 3 -10.835 22.783 -24.219 28 HB3 GLN 3 3HB GLN 3 -10.990 22.001 -22.644 29 HG2 GLN 3 2HG GLN 3 -8.626 21.555 -22.520 30 HG3 GLN 3 3HG GLN 3 -8.374 22.056 -24.198 31 HE21 GLN 3 1HE2 GLN 3 -7.647 24.156 -24.483 32 HE22 GLN 3 2HE2 GLN 3 -7.895 25.421 -23.282 33 H ASP 4 H ASP 4 -10.533 19.388 -21.981 34 HA ASP 4 HA ASP 4 -13.369 18.865 -21.769 35 HB2 ASP 4 2HB ASP 4 -12.275 17.001 -23.255 36 HB3 ASP 4 3HB ASP 4 -11.488 16.473 -21.766 37 H GLY 5 H GLY 5 -13.612 17.587 -19.516 38 HA2 GLY 5 2HA GLY 5 -11.450 17.505 -17.704 39 HA3 GLY 5 3HA GLY 5 -12.229 19.081 -17.512 40 H GLU 6 H GLU 6 -14.793 18.759 -17.641 41 HA GLU 6 HA GLU 6 -16.548 18.470 -16.306 42 HB2 GLU 6 2HB GLU 6 -15.649 15.600 -16.455 43 HB3 GLU 6 3HB GLU 6 -16.892 16.082 -15.292 44 HG2 GLU 6 2HG GLU 6 -18.126 17.221 -17.193 45 HG3 GLU 6 3HG GLU 6 -17.012 16.417 -18.308 46 H GLU 7 H GLU 7 -14.191 16.426 -14.577 47 HA GLU 7 HA GLU 7 -13.597 16.307 -12.424 48 HB2 GLU 7 2HB GLU 7 -12.694 18.633 -13.000 49 HB3 GLU 7 3HB GLU 7 -14.045 19.267 -12.039 50 HG2 GLU 7 2HG GLU 7 -13.274 17.648 -10.181 51 HG3 GLU 7 3HG GLU 7 -11.840 17.346 -11.163 52 H GLY 8 H GLY 8 -15.535 15.034 -12.300 53 HA2 GLY 8 2HA GLY 8 -17.548 16.158 -10.399 54 HA3 GLY 8 3HA GLY 8 -17.756 14.687 -11.374 55 H THR 9 H THR 9 -18.021 13.316 -9.622 56 HA THR 9 HA THR 9 -17.662 12.042 -7.885 57 HB THR 9 HB THR 9 -15.594 10.961 -7.489 58 HG1 THR 9 1HG THR 9 -13.665 11.640 -8.345 59 HG21 THR 9 1HG2 THR 9 -15.008 10.137 -9.702 60 HG22 THR 9 2HG2 THR 9 -16.763 10.381 -9.607 61 HG23 THR 9 3HG2 THR 9 -15.740 11.555 -10.472 62 H GLU 10 H GLU 10 -16.017 11.940 -5.699 63 HA GLU 10 HA GLU 10 -15.652 14.446 -4.446 64 HB2 GLU 10 2HB GLU 10 -17.680 14.319 -2.921 65 HB3 GLU 10 3HB GLU 10 -17.958 14.936 -4.529 66 HG2 GLU 10 2HG GLU 10 -18.420 12.028 -4.473 67 HG3 GLU 10 3HG GLU 10 -19.335 12.837 -3.215 68 H GLU 11 H GLU 11 -16.906 11.093 -3.936 69 HA GLU 11 HA GLU 11 -15.576 10.818 -1.399 70 HB2 GLU 11 2HB GLU 11 -17.634 9.603 -2.118 71 HB3 GLU 11 3HB GLU 11 -16.679 8.687 -3.292 72 HG2 GLU 11 2HG GLU 11 -15.438 7.584 -1.564 73 HG3 GLU 11 3HG GLU 11 -15.932 8.766 -0.344 74 H ASP 12 H ASP 12 -13.594 9.661 -0.976 75 HA ASP 12 HA ASP 12 -11.793 9.072 -3.166 76 HB2 ASP 12 2HB ASP 12 -11.750 11.587 -2.799 77 HB3 ASP 12 3HB ASP 12 -11.262 11.290 -1.126 78 H THR 13 H THR 13 -9.551 8.872 -1.499 79 HA THR 13 HA THR 13 -8.511 7.744 0.037 80 HB THR 13 HB THR 13 -10.461 8.923 1.473 81 HG1 THR 13 1HG THR 13 -8.523 7.115 2.436 82 HG21 THR 13 1HG2 THR 13 -11.333 7.457 3.169 83 HG22 THR 13 2HG2 THR 13 -11.877 6.792 1.625 84 HG23 THR 13 3HG2 THR 13 -10.526 6.039 2.480 85 H GLU 14 H GLU 14 -10.958 6.262 -1.627 86 HA GLU 14 HA GLU 14 -10.934 3.595 -0.650 87 HB2 GLU 14 2HB GLU 14 -11.464 4.918 -3.329 88 HB3 GLU 14 3HB GLU 14 -11.423 3.158 -3.232 89 HG2 GLU 14 2HG GLU 14 -13.179 4.810 -1.382 90 HG3 GLU 14 3HG GLU 14 -13.708 4.300 -2.989 91 H GLU 15 H GLU 15 -8.987 5.121 -3.249 92 HA GLU 15 HA GLU 15 -6.984 2.934 -2.924 93 HB2 GLU 15 2HB GLU 15 -6.715 3.027 -5.400 94 HB3 GLU 15 3HB GLU 15 -8.235 2.357 -4.833 95 HG2 GLU 15 2HG GLU 15 -9.486 4.260 -5.488 96 HG3 GLU 15 3HG GLU 15 -8.061 5.281 -5.635 97 H LYS 16 H LYS 16 -6.157 4.667 -1.399 98 HA LYS 16 HA LYS 16 -4.490 6.580 -2.945 99 HB2 LYS 16 2HB LYS 16 -5.970 7.658 -1.301 100 HB3 LYS 16 3HB LYS 16 -5.319 6.622 -0.012 101 HG2 LYS 16 2HG LYS 16 -3.172 7.588 -0.164 102 HG3 LYS 16 3HG LYS 16 -3.540 8.389 -1.693 103 HD2 LYS 16 2HD LYS 16 -5.097 9.111 0.806 104 HD3 LYS 16 3HD LYS 16 -3.493 9.787 0.499 105 HE2 LYS 16 2HE LYS 16 -4.468 10.312 -1.900 106 HE3 LYS 16 3HE LYS 16 -6.040 10.189 -1.086 107 HZ1 LYS 16 1HZ LYS 16 -5.246 12.427 -1.070 108 HZ2 LYS 16 2HZ LYS 16 -5.195 11.876 0.478 109 HZ3 LYS 16 3HZ LYS 16 -3.798 11.993 -0.411 110 H CYS 17 H CYS 17 -2.457 6.222 -3.037 111 HA CYS 17 HA CYS 17 -0.813 4.066 -1.862 112 HB2 CYS 17 2HB CYS 17 -0.383 5.402 -3.980 113 HB3 CYS 17 3HB CYS 17 -0.218 6.828 -3.011 114 H THR 18 H THR 18 -1.603 4.256 0.469 115 HA THR 18 HA THR 18 -1.552 6.762 1.716 116 HB THR 18 HB THR 18 -2.617 4.615 2.567 117 HG1 THR 18 1HG THR 18 -1.204 6.423 4.233 118 HG21 THR 18 1HG2 THR 18 -0.354 3.400 2.644 119 HG22 THR 18 2HG2 THR 18 0.014 4.366 4.079 120 HG23 THR 18 3HG2 THR 18 -1.383 3.279 4.107 121 H ILE 19 H ILE 19 1.143 4.769 0.891 122 HA ILE 19 HA ILE 19 3.105 5.679 2.747 123 HB ILE 19 HB ILE 19 3.047 4.491 -0.045 124 HG12 ILE 19 2HG1 ILE 19 4.292 3.093 2.293 125 HG13 ILE 19 3HG1 ILE 19 2.540 3.305 2.380 126 HG21 ILE 19 1HG2 ILE 19 5.502 4.050 0.263 127 HG22 ILE 19 2HG2 ILE 19 5.067 5.750 -0.016 128 HG23 ILE 19 3HG2 ILE 19 5.472 5.197 1.628 129 HD11 ILE 19 1HD1 ILE 19 2.203 2.245 0.251 130 HD12 ILE 19 2HD1 ILE 19 3.957 2.129 -0.034 131 HD13 ILE 19 3HD1 ILE 19 3.205 1.180 1.266 132 H CYS 20 H CYS 20 2.002 6.702 -0.470 133 HA CYS 20 HA CYS 20 3.789 9.124 -0.570 134 HB2 CYS 20 2HB CYS 20 2.564 8.832 -2.990 135 HB3 CYS 20 3HB CYS 20 4.148 8.193 -2.563 136 H LEU 21 H LEU 21 0.762 8.292 0.438 137 HA LEU 21 HA LEU 21 -1.258 9.179 0.657 138 HB2 LEU 21 2HB LEU 21 0.442 11.638 1.148 139 HB3 LEU 21 3HB LEU 21 -1.271 11.530 1.573 140 HG LEU 21 HG LEU 21 0.812 9.557 2.607 141 HD11 LEU 21 1HD1 LEU 21 -0.272 12.063 3.927 142 HD12 LEU 21 2HD1 LEU 21 0.750 10.823 4.700 143 HD13 LEU 21 3HD1 LEU 21 1.396 11.785 3.359 144 HD21 LEU 21 1HD2 LEU 21 -2.011 10.253 3.559 145 HD22 LEU 21 2HD2 LEU 21 -1.547 8.762 2.710 146 HD23 LEU 21 3HD2 LEU 21 -0.906 9.085 4.317 147 H SER 22 H SER 22 -0.500 8.955 -2.051 148 HA SER 22 HA SER 22 -1.980 11.235 -3.310 149 HB2 SER 22 2HB SER 22 0.347 9.581 -4.368 150 HB3 SER 22 3HB SER 22 -0.586 10.754 -5.322 151 HG SER 22 HG SER 22 0.885 11.315 -2.945 152 H ILE 23 H ILE 23 -3.642 10.634 -4.829 153 HA ILE 23 HA ILE 23 -4.673 7.998 -4.481 154 HB ILE 23 HB ILE 23 -5.361 10.473 -6.048 155 HG12 ILE 23 2HG1 ILE 23 -5.811 10.239 -3.570 156 HG13 ILE 23 3HG1 ILE 23 -7.198 10.632 -4.565 157 HG21 ILE 23 1HG2 ILE 23 -6.753 7.808 -6.402 158 HG22 ILE 23 2HG2 ILE 23 -7.520 9.385 -6.718 159 HG23 ILE 23 3HG2 ILE 23 -6.077 8.914 -7.615 160 HD11 ILE 23 1HD1 ILE 23 -7.653 8.880 -2.802 161 HD12 ILE 23 2HD1 ILE 23 -8.027 8.330 -4.443 162 HD13 ILE 23 3HD1 ILE 23 -6.547 7.796 -3.626 163 H LEU 24 H LEU 24 -5.069 6.505 -6.038 164 HA LEU 24 HA LEU 24 -2.882 6.031 -7.943 165 HB2 LEU 24 2HB LEU 24 -5.172 4.332 -6.823 166 HB3 LEU 24 3HB LEU 24 -3.835 3.706 -7.791 167 HG LEU 24 HG LEU 24 -3.444 5.079 -5.073 168 HD11 LEU 24 1HD1 LEU 24 -3.470 2.140 -5.784 169 HD12 LEU 24 2HD1 LEU 24 -2.947 2.833 -4.227 170 HD13 LEU 24 3HD1 LEU 24 -4.623 3.000 -4.752 171 HD21 LEU 24 1HD2 LEU 24 -1.664 3.709 -7.078 172 HD22 LEU 24 2HD2 LEU 24 -1.503 5.330 -6.352 173 HD23 LEU 24 3HD2 LEU 24 -1.211 3.872 -5.367 174 H GLU 25 H GLU 25 -4.554 4.234 -9.572 175 HA GLU 25 HA GLU 25 -6.853 5.625 -10.400 176 HB2 GLU 25 2HB GLU 25 -6.285 6.144 -12.693 177 HB3 GLU 25 3HB GLU 25 -5.166 6.984 -11.617 178 HG2 GLU 25 2HG GLU 25 -3.430 5.296 -12.063 179 HG3 GLU 25 3HG GLU 25 -4.555 4.401 -13.107 180 H GLU 26 H GLU 26 -7.707 4.435 -12.535 181 HA GLU 26 HA GLU 26 -8.057 1.763 -11.703 182 HB2 GLU 26 2HB GLU 26 -9.743 3.091 -12.961 183 HB3 GLU 26 3HB GLU 26 -8.703 3.056 -14.393 184 HG2 GLU 26 2HG GLU 26 -8.856 0.548 -14.403 185 HG3 GLU 26 3HG GLU 26 -9.918 0.627 -12.996 186 H GLY 27 H GLY 27 -6.793 0.013 -12.003 187 HA2 GLY 27 2HA GLY 27 -5.491 -1.532 -13.139 188 HA3 GLY 27 3HA GLY 27 -5.583 -0.510 -14.583 189 H GLU 28 H GLU 28 -4.471 1.222 -11.787 190 HA GLU 28 HA GLU 28 -1.896 1.677 -12.851 191 HB2 GLU 28 2HB GLU 28 -3.066 3.191 -11.357 192 HB3 GLU 28 3HB GLU 28 -3.123 1.971 -10.090 193 HG2 GLU 28 2HG GLU 28 -1.565 3.680 -9.509 194 HG3 GLU 28 3HG GLU 28 -0.703 2.171 -9.746 195 H ASP 29 H ASP 29 0.104 1.151 -11.877 196 HA ASP 29 HA ASP 29 0.527 -1.665 -11.227 197 HB2 ASP 29 2HB ASP 29 2.298 0.780 -11.122 198 HB3 ASP 29 3HB ASP 29 2.858 -0.822 -10.660 199 H VAL 30 H VAL 30 -0.540 -2.178 -9.355 200 HA VAL 30 HA VAL 30 0.300 -0.851 -6.842 201 HB VAL 30 HB VAL 30 -1.965 -0.902 -5.991 202 HG11 VAL 30 1HG1 VAL 30 -3.024 0.803 -7.437 203 HG12 VAL 30 2HG1 VAL 30 -1.300 1.144 -7.157 204 HG13 VAL 30 3HG1 VAL 30 -1.858 0.465 -8.699 205 HG21 VAL 30 1HG2 VAL 30 -3.908 -1.415 -7.405 206 HG22 VAL 30 2HG2 VAL 30 -2.842 -1.912 -8.728 207 HG23 VAL 30 3HG2 VAL 30 -2.884 -2.843 -7.213 208 H ARG 31 H ARG 31 -0.809 -2.384 -5.003 209 HA ARG 31 HA ARG 31 -0.606 -5.189 -5.695 210 HB2 ARG 31 2HB ARG 31 1.503 -3.607 -4.309 211 HB3 ARG 31 3HB ARG 31 1.056 -5.055 -3.417 212 HG2 ARG 31 2HG ARG 31 1.686 -5.269 -6.368 213 HG3 ARG 31 3HG ARG 31 2.996 -5.108 -5.206 214 HD2 ARG 31 2HD ARG 31 0.884 -7.159 -4.608 215 HD3 ARG 31 3HD ARG 31 1.971 -7.502 -5.948 216 HE ARG 31 HE ARG 31 2.607 -7.477 -3.115 217 HH11 ARG 31 1HH1 ARG 31 6.046 -8.083 -3.668 218 HH12 ARG 31 2HH1 ARG 31 4.791 -8.036 -2.485 219 HH21 ARG 31 1HH2 ARG 31 5.566 -7.594 -5.929 220 HH22 ARG 31 2HH2 ARG 31 3.955 -7.174 -6.375 221 H ARG 32 H ARG 32 -1.069 -6.446 -3.545 222 HA ARG 32 HA ARG 32 -2.875 -4.877 -1.816 223 HB2 ARG 32 2HB ARG 32 -4.324 -6.160 -3.285 224 HB3 ARG 32 3HB ARG 32 -3.294 -7.589 -3.158 225 HG2 ARG 32 2HG ARG 32 -5.319 -7.939 -1.856 226 HG3 ARG 32 3HG ARG 32 -3.928 -7.876 -0.787 227 HD2 ARG 32 2HD ARG 32 -5.287 -6.451 0.380 228 HD3 ARG 32 3HD ARG 32 -4.537 -5.292 -0.676 229 HE ARG 32 HE ARG 32 -7.023 -6.559 -1.653 230 HH11 ARG 32 1HH1 ARG 32 -8.940 -3.625 -1.230 231 HH12 ARG 32 2HH1 ARG 32 -8.971 -5.255 -1.797 232 HH21 ARG 32 1HH2 ARG 32 -7.022 -2.799 -0.101 233 HH22 ARG 32 2HH2 ARG 32 -5.559 -3.720 -0.254 234 H LEU 33 H LEU 33 -2.757 -5.524 0.415 235 HA LEU 33 HA LEU 33 -0.808 -7.619 1.048 236 HB2 LEU 33 2HB LEU 33 -0.893 -5.840 3.220 237 HB3 LEU 33 3HB LEU 33 0.457 -6.084 2.118 238 HG LEU 33 HG LEU 33 -1.773 -4.052 1.709 239 HD11 LEU 33 1HD1 LEU 33 -0.420 -3.714 3.820 240 HD12 LEU 33 2HD1 LEU 33 1.046 -3.647 2.826 241 HD13 LEU 33 3HD1 LEU 33 -0.232 -2.424 2.639 242 HD21 LEU 33 1HD2 LEU 33 0.797 -4.703 0.250 243 HD22 LEU 33 2HD2 LEU 33 -0.733 -4.058 -0.399 244 HD23 LEU 33 3HD2 LEU 33 0.374 -2.992 0.443 245 HA PRO 34 HA PRO 34 -3.854 -9.636 3.137 246 HB2 PRO 34 2HB PRO 34 -2.911 -10.256 5.680 247 HB3 PRO 34 3HB PRO 34 -2.413 -11.061 4.162 248 HG2 PRO 34 2HG PRO 34 -0.982 -8.894 5.691 249 HG3 PRO 34 3HG PRO 34 -0.315 -10.327 4.842 250 HD2 PRO 34 2HD PRO 34 -0.347 -7.756 3.854 251 HD3 PRO 34 3HD PRO 34 -0.320 -9.162 2.786 252 H CYS 35 H CYS 35 -2.640 -6.853 5.035 253 HA CYS 35 HA CYS 35 -5.153 -6.539 6.583 254 HB2 CYS 35 2HB CYS 35 -4.064 -4.609 7.390 255 HB3 CYS 35 3HB CYS 35 -2.905 -5.943 7.451 256 H MET 36 H MET 36 -5.433 -6.677 3.607 257 HA MET 36 HA MET 36 -6.528 -5.641 1.952 258 HB2 MET 36 2HB MET 36 -8.742 -4.698 2.740 259 HB3 MET 36 3HB MET 36 -8.328 -6.350 3.182 260 HG2 MET 36 2HG MET 36 -7.662 -5.636 5.427 261 HG3 MET 36 3HG MET 36 -8.077 -3.959 5.039 262 HE1 MET 36 1HE MET 36 -9.269 -4.737 7.586 263 HE2 MET 36 2HE MET 36 -10.606 -5.912 7.638 264 HE3 MET 36 3HE MET 36 -8.961 -6.455 7.240 265 H HIS 37 H HIS 37 -4.293 -4.165 2.511 266 HA HIS 37 HA HIS 37 -5.232 -1.378 2.070 267 HB2 HIS 37 1HB HIS 37 -2.857 -2.611 3.378 268 HB3 HIS 37 2HB HIS 37 -2.481 -1.267 2.317 269 HD2 HIS 37 2HD HIS 37 -4.712 0.779 2.763 270 HE1 HIS 37 1HE HIS 37 -4.063 0.474 6.949 271 HE2 HIS 37 2HE HIS 37 -5.088 1.896 5.091 272 H LEU 38 H LEU 38 -4.592 -0.240 0.133 273 HA LEU 38 HA LEU 38 -3.709 -2.066 -2.054 274 HB2 LEU 38 2HB LEU 38 -6.168 -0.937 -1.956 275 HB3 LEU 38 3HB LEU 38 -5.306 0.451 -2.563 276 HG LEU 38 HG LEU 38 -4.261 -1.374 -4.253 277 HD11 LEU 38 1HD1 LEU 38 -7.014 -2.486 -3.532 278 HD12 LEU 38 2HD1 LEU 38 -5.965 -3.063 -4.839 279 HD13 LEU 38 3HD1 LEU 38 -5.458 -3.266 -3.152 280 HD21 LEU 38 1HD2 LEU 38 -5.474 0.593 -5.005 281 HD22 LEU 38 2HD2 LEU 38 -6.100 -0.826 -5.853 282 HD23 LEU 38 3HD2 LEU 38 -7.027 -0.115 -4.512 283 H PHE 39 H PHE 39 -1.508 -1.573 -2.190 284 HA PHE 39 HA PHE 39 -0.780 1.330 -1.939 285 HB2 PHE 39 2HB PHE 39 0.667 -1.166 -1.007 286 HB3 PHE 39 3HB PHE 39 1.421 0.411 -1.103 287 HD1 PHE 39 1HD PHE 39 -1.772 1.332 0.010 288 HD2 PHE 39 2HD PHE 39 1.742 -0.749 1.392 289 HE1 PHE 39 1HE PHE 39 -2.439 1.729 2.317 290 HE2 PHE 39 2HE PHE 39 1.097 -0.273 3.723 291 HZ PHE 39 HZ PHE 39 -1.027 0.918 4.205 292 H HIS 40 H HIS 40 0.711 2.126 -3.404 293 HA HIS 40 HA HIS 40 0.752 1.163 -6.069 294 HB2 HIS 40 1HB HIS 40 2.232 3.112 -4.392 295 HB3 HIS 40 2HB HIS 40 3.199 2.472 -5.704 296 HD2 HIS 40 2HD HIS 40 0.811 2.507 -7.991 297 HE1 HIS 40 1HE HIS 40 1.420 6.680 -7.492 298 HE2 HIS 40 2HE HIS 40 0.517 4.876 -9.038 299 H GLN 41 H GLN 41 2.386 -0.020 -7.267 300 HA GLN 41 HA GLN 41 3.476 -2.169 -5.757 301 HB2 GLN 41 2HB GLN 41 2.640 -2.178 -8.130 302 HB3 GLN 41 3HB GLN 41 4.159 -1.415 -8.628 303 HG2 GLN 41 2HG GLN 41 5.443 -3.316 -7.905 304 HG3 GLN 41 3HG GLN 41 4.092 -3.980 -6.982 305 HE21 GLN 41 1HE2 GLN 41 1.916 -4.203 -8.619 306 HE22 GLN 41 2HE2 GLN 41 2.386 -5.075 -10.065 307 H VAL 42 H VAL 42 5.000 0.751 -7.204 308 HA VAL 42 HA VAL 42 7.664 0.001 -6.344 309 HB VAL 42 HB VAL 42 6.422 2.629 -7.249 310 HG11 VAL 42 1HG1 VAL 42 8.333 3.243 -5.860 311 HG12 VAL 42 2HG1 VAL 42 9.342 1.994 -6.624 312 HG13 VAL 42 3HG1 VAL 42 8.796 3.406 -7.557 313 HG21 VAL 42 1HG2 VAL 42 7.678 2.154 -9.315 314 HG22 VAL 42 2HG2 VAL 42 8.354 0.680 -8.591 315 HG23 VAL 42 3HG2 VAL 42 6.618 0.787 -8.942 316 H CYS 43 H CYS 43 5.232 2.328 -5.017 317 HA CYS 43 HA CYS 43 6.770 3.206 -2.793 318 HB2 CYS 43 2HB CYS 43 3.763 2.889 -2.888 319 HB3 CYS 43 3HB CYS 43 4.709 4.042 -1.952 320 H VAL 44 H VAL 44 4.533 0.357 -3.051 321 HA VAL 44 HA VAL 44 4.929 -0.353 -0.341 322 HB VAL 44 HB VAL 44 2.967 -0.983 -1.840 323 HG11 VAL 44 1HG1 VAL 44 4.369 -2.083 -3.605 324 HG12 VAL 44 2HG1 VAL 44 4.771 -3.356 -2.441 325 HG13 VAL 44 3HG1 VAL 44 3.085 -3.110 -2.937 326 HG21 VAL 44 1HG2 VAL 44 4.268 -3.148 -0.162 327 HG22 VAL 44 2HG2 VAL 44 3.382 -1.765 0.485 328 HG23 VAL 44 3HG2 VAL 44 2.542 -2.970 -0.528 329 H ASP 45 H ASP 45 6.842 -0.929 -3.243 330 HA ASP 45 HA ASP 45 8.193 -3.273 -2.346 331 HB2 ASP 45 2HB ASP 45 8.313 -2.204 -4.659 332 HB3 ASP 45 3HB ASP 45 9.416 -1.004 -3.979 333 H GLN 46 H GLN 46 9.175 0.164 -2.155 334 HA GLN 46 HA GLN 46 11.237 -0.295 -0.197 335 HB2 GLN 46 2HB GLN 46 9.678 2.178 -1.061 336 HB3 GLN 46 3HB GLN 46 10.966 2.264 0.141 337 HG2 GLN 46 2HG GLN 46 11.605 0.909 -2.480 338 HG3 GLN 46 3HG GLN 46 11.414 2.664 -2.474 339 HE21 GLN 46 1HE2 GLN 46 13.535 3.446 -2.617 340 HE22 GLN 46 2HE2 GLN 46 14.775 2.973 -1.463 341 H ALA 47 H ALA 47 7.751 0.209 0.174 342 HA ALA 47 HA ALA 47 7.837 0.710 2.985 343 HB1 ALA 47 1HB ALA 47 5.758 -0.903 1.475 344 HB2 ALA 47 2HB ALA 47 5.538 -0.012 2.994 345 HB3 ALA 47 3HB ALA 47 5.834 0.880 1.477 346 H LEU 48 H LEU 48 7.352 -2.419 1.259 347 HA LEU 48 HA LEU 48 7.327 -4.044 3.472 348 HB2 LEU 48 2HB LEU 48 6.542 -4.545 1.188 349 HB3 LEU 48 3HB LEU 48 8.200 -4.711 0.625 350 HG LEU 48 HG LEU 48 7.071 -6.414 2.890 351 HD11 LEU 48 1HD1 LEU 48 6.978 -7.013 -0.090 352 HD12 LEU 48 2HD1 LEU 48 6.504 -8.122 1.220 353 HD13 LEU 48 3HD1 LEU 48 5.579 -6.641 0.945 354 HD21 LEU 48 1HD2 LEU 48 8.760 -8.080 1.912 355 HD22 LEU 48 2HD2 LEU 48 9.394 -6.741 0.935 356 HD23 LEU 48 3HD2 LEU 48 9.474 -6.686 2.708 357 H ILE 49 H ILE 49 10.173 -3.193 1.388 358 HA ILE 49 HA ILE 49 11.966 -4.800 2.923 359 HB ILE 49 HB ILE 49 13.752 -3.702 1.838 360 HG12 ILE 49 2HG1 ILE 49 12.984 -1.737 0.164 361 HG13 ILE 49 3HG1 ILE 49 11.950 -1.411 1.562 362 HG21 ILE 49 1HG2 ILE 49 12.343 -5.259 0.517 363 HG22 ILE 49 2HG2 ILE 49 11.501 -3.864 -0.181 364 HG23 ILE 49 3HG2 ILE 49 13.230 -4.078 -0.463 365 HD11 ILE 49 1HD1 ILE 49 14.047 -0.169 1.755 366 HD12 ILE 49 2HD1 ILE 49 13.983 -1.395 3.028 367 HD13 ILE 49 3HD1 ILE 49 14.981 -1.669 1.587 368 H THR 50 H THR 50 10.763 -1.464 3.446 369 HA THR 50 HA THR 50 12.730 -0.859 5.443 370 HB THR 50 HB THR 50 10.025 0.337 4.735 371 HG1 THR 50 1HG THR 50 11.598 0.790 3.295 372 HG21 THR 50 1HG2 THR 50 10.292 0.874 7.086 373 HG22 THR 50 2HG2 THR 50 12.011 1.271 6.848 374 HG23 THR 50 3HG2 THR 50 10.741 2.291 6.131 375 H ASN 51 H ASN 51 9.342 -2.034 5.610 376 HA ASN 51 HA ASN 51 9.825 -3.637 7.927 377 HB2 ASN 51 2HB ASN 51 8.209 -2.476 9.403 378 HB3 ASN 51 3HB ASN 51 9.709 -1.582 9.160 379 HD21 ASN 51 1HD2 ASN 51 7.385 -0.346 10.194 380 HD22 ASN 51 2HD2 ASN 51 6.898 0.827 8.975 381 H LYS 52 H LYS 52 9.019 -5.078 6.273 382 HA LYS 52 HA LYS 52 6.744 -5.225 4.973 383 HB2 LYS 52 2HB LYS 52 6.646 -7.662 5.358 384 HB3 LYS 52 3HB LYS 52 8.195 -6.990 4.884 385 HG2 LYS 52 2HG LYS 52 8.698 -7.060 7.515 386 HG3 LYS 52 3HG LYS 52 7.425 -8.298 7.465 387 HD2 LYS 52 2HD LYS 52 8.713 -9.268 5.443 388 HD3 LYS 52 3HD LYS 52 10.036 -8.209 5.887 389 HE2 LYS 52 2HE LYS 52 8.773 -10.282 7.750 390 HE3 LYS 52 3HE LYS 52 10.173 -10.600 6.728 391 HZ1 LYS 52 1HZ LYS 52 11.408 -8.944 7.817 392 HZ2 LYS 52 2HZ LYS 52 10.148 -8.550 8.809 393 HZ3 LYS 52 3HZ LYS 52 10.858 -10.044 8.903 394 H LYS 53 H LYS 53 6.554 -6.059 8.457 395 HA LYS 53 HA LYS 53 3.775 -6.395 8.354 396 HB2 LYS 53 2HB LYS 53 5.215 -5.198 10.784 397 HB3 LYS 53 3HB LYS 53 3.689 -6.056 10.765 398 HG2 LYS 53 2HG LYS 53 5.035 -7.633 11.657 399 HG3 LYS 53 3HG LYS 53 5.117 -8.124 9.971 400 HD2 LYS 53 2HD LYS 53 7.325 -7.263 9.721 401 HD3 LYS 53 3HD LYS 53 7.214 -6.274 11.182 402 HE2 LYS 53 2HE LYS 53 7.155 -9.324 11.150 403 HE3 LYS 53 3HE LYS 53 8.628 -8.364 11.359 404 HZ1 LYS 53 1HZ LYS 53 7.643 -7.382 13.327 405 HZ2 LYS 53 2HZ LYS 53 6.304 -8.330 13.165 406 HZ3 LYS 53 3HZ LYS 53 7.765 -9.016 13.470 407 H CYS 54 H CYS 54 2.186 -5.066 7.931 408 HA CYS 54 HA CYS 54 2.345 -2.586 6.824 409 HB2 CYS 54 2HB CYS 54 0.384 -4.030 6.791 410 HB3 CYS 54 3HB CYS 54 0.094 -3.717 8.505 411 HA PRO 55 HA PRO 55 3.589 -0.126 10.320 412 HB2 PRO 55 2HB PRO 55 3.685 2.375 9.181 413 HB3 PRO 55 3HB PRO 55 4.863 1.076 8.831 414 HG2 PRO 55 2HG PRO 55 2.411 1.828 7.224 415 HG3 PRO 55 3HG PRO 55 4.086 1.576 6.634 416 HD2 PRO 55 2HD PRO 55 2.213 -0.389 6.495 417 HD3 PRO 55 3HD PRO 55 3.921 -0.771 6.888 418 H ILE 56 H ILE 56 0.481 -0.308 9.254 419 HA ILE 56 HA ILE 56 -0.473 1.612 11.330 420 HB ILE 56 HB ILE 56 -1.947 0.702 8.811 421 HG12 ILE 56 2HG1 ILE 56 -1.800 3.455 8.694 422 HG13 ILE 56 3HG1 ILE 56 -0.221 3.060 9.367 423 HG21 ILE 56 1HG2 ILE 56 -3.463 1.053 10.712 424 HG22 ILE 56 2HG2 ILE 56 -2.751 2.655 11.002 425 HG23 ILE 56 3HG2 ILE 56 -3.662 2.330 9.509 426 HD11 ILE 56 1HD1 ILE 56 -1.459 1.967 6.794 427 HD12 ILE 56 2HD1 ILE 56 -0.107 3.110 6.919 428 HD13 ILE 56 3HD1 ILE 56 0.099 1.426 7.448 429 H CYS 57 H CYS 57 -1.505 -1.263 9.479 430 HA CYS 57 HA CYS 57 -3.263 -2.304 11.498 431 HB2 CYS 57 2HB CYS 57 -2.009 -3.891 9.255 432 HB3 CYS 57 3HB CYS 57 -3.628 -4.007 9.949 433 H ARG 58 H ARG 58 0.168 -2.644 10.985 434 HA ARG 58 HA ARG 58 1.798 -3.885 11.861 435 HB2 ARG 58 2HB ARG 58 0.735 -2.573 13.828 436 HB3 ARG 58 3HB ARG 58 0.098 -4.141 14.349 437 HG2 ARG 58 2HG ARG 58 2.514 -5.005 14.247 438 HG3 ARG 58 3HG ARG 58 3.020 -3.329 13.967 439 HD2 ARG 58 2HD ARG 58 2.155 -2.630 16.108 440 HD3 ARG 58 3HD ARG 58 1.283 -4.167 16.311 441 HE ARG 58 HE ARG 58 4.131 -4.523 15.999 442 HH11 ARG 58 1HH1 ARG 58 4.502 -5.551 19.355 443 HH12 ARG 58 2HH1 ARG 58 5.206 -5.573 17.781 444 HH21 ARG 58 1HH2 ARG 58 2.402 -4.488 19.695 445 HH22 ARG 58 2HH2 ARG 58 1.635 -3.725 18.348 446 H VAL 59 H VAL 59 0.188 -5.401 10.205 447 HA VAL 59 HA VAL 59 0.416 -8.099 11.454 448 HB VAL 59 HB VAL 59 -1.413 -7.314 9.139 449 HG11 VAL 59 1HG1 VAL 59 -1.194 -9.855 10.820 450 HG12 VAL 59 2HG1 VAL 59 -2.416 -9.551 9.568 451 HG13 VAL 59 3HG1 VAL 59 -0.718 -9.677 9.112 452 HG21 VAL 59 1HG2 VAL 59 -2.346 -6.263 11.111 453 HG22 VAL 59 2HG2 VAL 59 -3.292 -7.709 10.769 454 HG23 VAL 59 3HG2 VAL 59 -2.091 -7.729 12.081 455 H ASP 60 H ASP 60 1.559 -9.603 10.170 456 HA ASP 60 HA ASP 60 3.561 -8.373 8.502 457 HB2 ASP 60 2HB ASP 60 3.904 -10.371 9.988 458 HB3 ASP 60 3HB ASP 60 2.988 -11.325 8.813 459 H ILE 61 H ILE 61 3.846 -8.537 6.339 460 HA ILE 61 HA ILE 61 1.521 -9.415 4.718 461 HB ILE 61 HB ILE 61 1.873 -7.607 3.281 462 HG12 ILE 61 2HG1 ILE 61 4.407 -6.986 4.839 463 HG13 ILE 61 3HG1 ILE 61 4.360 -7.655 3.238 464 HG21 ILE 61 1HG2 ILE 61 1.284 -5.756 4.647 465 HG22 ILE 61 2HG2 ILE 61 0.825 -7.145 5.636 466 HG23 ILE 61 3HG2 ILE 61 2.347 -6.296 5.981 467 HD11 ILE 61 1HD1 ILE 61 3.072 -5.755 2.408 468 HD12 ILE 61 2HD1 ILE 61 3.290 -4.945 3.978 469 HD13 ILE 61 3HD1 ILE 61 4.719 -5.320 2.982 470 H GLU 62 H GLU 62 4.886 -9.847 5.315 471 HA GLU 62 HA GLU 62 5.909 -10.460 2.820 472 HB2 GLU 62 2HB GLU 62 6.997 -10.589 5.194 473 HB3 GLU 62 3HB GLU 62 6.435 -12.265 5.197 474 HG2 GLU 62 2HG GLU 62 7.580 -12.487 2.884 475 HG3 GLU 62 3HG GLU 62 8.309 -10.913 3.204 476 H ALA 63 H ALA 63 5.796 -12.228 1.387 477 HA ALA 63 HA ALA 63 3.957 -14.420 2.056 478 HB1 ALA 63 1HB ALA 63 2.685 -14.032 -0.038 479 HB2 ALA 63 2HB ALA 63 2.527 -12.646 1.066 480 HB3 ALA 63 3HB ALA 63 3.617 -12.547 -0.336 481 H GLN 64 H GLN 64 4.213 -16.172 0.544 482 HA GLN 64 HA GLN 64 6.925 -16.632 -0.175 483 HB2 GLN 64 2HB GLN 64 4.693 -18.202 0.200 484 HB3 GLN 64 3HB GLN 64 4.781 -18.210 -1.563 485 HG2 GLN 64 2HG GLN 64 6.956 -19.023 0.419 486 HG3 GLN 64 3HG GLN 64 6.010 -20.112 -0.602 487 HE21 GLN 64 1HE2 GLN 64 6.497 -20.166 -2.961 488 HE22 GLN 64 2HE2 GLN 64 7.985 -19.400 -3.520 489 H LEU 65 H LEU 65 8.013 -16.278 -2.131 490 HA LEU 65 HA LEU 65 6.510 -14.966 -4.332 491 HB2 LEU 65 2HB LEU 65 8.886 -13.971 -2.742 492 HB3 LEU 65 3HB LEU 65 8.727 -13.513 -4.433 493 HG LEU 65 HG LEU 65 6.362 -13.111 -2.583 494 HD11 LEU 65 1HD1 LEU 65 8.226 -12.084 -1.383 495 HD12 LEU 65 2HD1 LEU 65 8.739 -11.224 -2.855 496 HD13 LEU 65 3HD1 LEU 65 7.185 -10.833 -2.076 497 HD21 LEU 65 1HD2 LEU 65 5.917 -11.241 -4.127 498 HD22 LEU 65 2HD2 LEU 65 7.425 -11.583 -5.003 499 HD23 LEU 65 3HD2 LEU 65 6.087 -12.755 -5.026 500 HA PRO 66 HA PRO 66 8.871 -17.989 -6.490 501 HB2 PRO 66 2HB PRO 66 8.801 -17.068 -9.070 502 HB3 PRO 66 3HB PRO 66 7.346 -17.676 -8.218 503 HG2 PRO 66 2HG PRO 66 8.242 -14.796 -8.544 504 HG3 PRO 66 3HG PRO 66 6.615 -15.490 -8.847 505 HD2 PRO 66 2HD PRO 66 7.263 -14.240 -6.499 506 HD3 PRO 66 3HD PRO 66 6.155 -15.649 -6.539 507 H SER 67 H SER 67 10.858 -18.199 -7.954 508 HA SER 67 HA SER 67 13.031 -16.619 -6.921 509 HB2 SER 67 2HB SER 67 14.249 -18.013 -8.710 510 HB3 SER 67 3HB SER 67 13.373 -18.944 -7.474 511 HG SER 67 HG SER 67 12.267 -18.205 -9.986 512 H GLU 68 H GLU 68 14.362 -15.216 -8.101 513 HA GLU 68 HA GLU 68 15.036 -13.699 -9.595 514 HB2 GLU 68 2HB GLU 68 13.843 -15.434 -11.396 515 HB3 GLU 68 3HB GLU 68 12.921 -13.941 -11.642 516 HG2 GLU 68 2HG GLU 68 15.371 -12.852 -11.612 517 HG3 GLU 68 3HG GLU 68 15.873 -14.502 -11.991 518 H SER 69 H SER 69 13.805 -11.561 -10.836 519 HA SER 69 HA SER 69 11.473 -10.730 -9.344 520 HB2 SER 69 2HB SER 69 12.778 -8.889 -8.169 521 HB3 SER 69 3HB SER 69 13.049 -10.519 -7.513 522 HG SER 69 HG SER 69 14.665 -9.422 -9.542 Start of MODEL 16 1 H1 MET 1 H1 MET 1 0.366 43.399 -6.686 2 H2 MET 1 H2 MET 1 1.529 43.089 -7.823 3 H3 MET 1 H3 MET 1 -0.027 43.430 -8.276 4 HA MET 1 HA MET 1 0.282 41.088 -8.493 5 HB2 MET 1 2HB MET 1 1.279 41.429 -5.647 6 HB3 MET 1 3HB MET 1 0.684 39.866 -6.227 7 HG2 MET 1 2HG MET 1 2.478 39.487 -7.552 8 HG3 MET 1 3HG MET 1 2.605 41.166 -8.068 9 HE1 MET 1 1HE MET 1 5.553 39.112 -5.569 10 HE2 MET 1 2HE MET 1 3.925 38.405 -5.688 11 HE3 MET 1 3HE MET 1 4.830 38.816 -7.166 12 H LYS 2 H LYS 2 -1.702 39.913 -8.330 13 HA LYS 2 HA LYS 2 -3.311 40.207 -5.978 14 HB2 LYS 2 2HB LYS 2 -3.798 42.190 -7.835 15 HB3 LYS 2 3HB LYS 2 -4.885 40.938 -8.431 16 HG2 LYS 2 2HG LYS 2 -5.995 40.816 -6.245 17 HG3 LYS 2 3HG LYS 2 -4.785 41.910 -5.539 18 HD2 LYS 2 2HD LYS 2 -5.468 43.703 -7.096 19 HD3 LYS 2 3HD LYS 2 -6.730 42.662 -7.770 20 HE2 LYS 2 2HE LYS 2 -6.517 43.433 -4.822 21 HE3 LYS 2 3HE LYS 2 -7.467 44.348 -6.001 22 HZ1 LYS 2 1HZ LYS 2 -8.800 42.402 -6.391 23 HZ2 LYS 2 2HZ LYS 2 -7.911 41.508 -5.330 24 HZ3 LYS 2 3HZ LYS 2 -8.815 42.770 -4.790 25 H GLN 3 H GLN 3 -3.973 38.034 -5.721 26 HA GLN 3 HA GLN 3 -5.194 36.674 -7.929 27 HB2 GLN 3 2HB GLN 3 -2.544 36.255 -8.059 28 HB3 GLN 3 3HB GLN 3 -2.863 35.189 -6.685 29 HG2 GLN 3 2HG GLN 3 -4.717 34.133 -8.162 30 HG3 GLN 3 3HG GLN 3 -4.021 35.055 -9.501 31 HE21 GLN 3 1HE2 GLN 3 -2.210 34.112 -10.588 32 HE22 GLN 3 2HE2 GLN 3 -1.412 32.683 -9.939 33 H ASP 4 H ASP 4 -6.552 34.956 -7.012 34 HA ASP 4 HA ASP 4 -6.069 33.958 -4.386 35 HB2 ASP 4 2HB ASP 4 -7.254 36.208 -3.946 36 HB3 ASP 4 3HB ASP 4 -8.656 35.531 -4.782 37 H GLY 5 H GLY 5 -7.671 32.107 -4.041 38 HA2 GLY 5 2HA GLY 5 -9.750 31.366 -5.642 39 HA3 GLY 5 3HA GLY 5 -8.337 30.866 -6.596 40 H GLU 6 H GLU 6 -10.301 29.030 -5.479 41 HA GLU 6 HA GLU 6 -8.419 27.283 -4.168 42 HB2 GLU 6 2HB GLU 6 -9.792 26.737 -2.271 43 HB3 GLU 6 3HB GLU 6 -9.512 28.467 -2.258 44 HG2 GLU 6 2HG GLU 6 -11.714 28.699 -1.958 45 HG3 GLU 6 3HG GLU 6 -11.910 28.332 -3.661 46 H GLU 7 H GLU 7 -9.279 25.013 -4.297 47 HA GLU 7 HA GLU 7 -11.847 24.550 -5.255 48 HB2 GLU 7 2HB GLU 7 -9.820 24.704 -7.351 49 HB3 GLU 7 3HB GLU 7 -10.316 23.019 -7.160 50 HG2 GLU 7 2HG GLU 7 -12.686 23.659 -7.369 51 HG3 GLU 7 3HG GLU 7 -12.236 25.357 -7.548 52 H GLY 8 H GLY 8 -12.361 22.594 -4.273 53 HA2 GLY 8 2HA GLY 8 -10.275 20.577 -3.795 54 HA3 GLY 8 3HA GLY 8 -11.042 21.300 -2.361 55 H THR 9 H THR 9 -11.279 18.483 -3.147 56 HA THR 9 HA THR 9 -14.184 18.317 -3.702 57 HB THR 9 HB THR 9 -13.644 16.411 -5.238 58 HG1 THR 9 1HG THR 9 -11.572 15.886 -4.522 59 HG21 THR 9 1HG2 THR 9 -12.255 18.967 -6.134 60 HG22 THR 9 2HG2 THR 9 -12.998 17.720 -7.150 61 HG23 THR 9 3HG2 THR 9 -14.019 18.740 -6.114 62 H GLU 10 H GLU 10 -14.527 15.617 -3.550 63 HA GLU 10 HA GLU 10 -13.757 14.795 -0.892 64 HB2 GLU 10 2HB GLU 10 -15.078 13.533 -3.291 65 HB3 GLU 10 3HB GLU 10 -14.307 12.462 -2.113 66 HG2 GLU 10 2HG GLU 10 -15.584 13.484 -0.276 67 HG3 GLU 10 3HG GLU 10 -16.374 14.581 -1.420 68 H GLU 11 H GLU 11 -12.515 12.778 -0.594 69 HA GLU 11 HA GLU 11 -10.151 12.357 -2.232 70 HB2 GLU 11 2HB GLU 11 -10.252 14.220 0.014 71 HB3 GLU 11 3HB GLU 11 -9.335 12.809 0.514 72 HG2 GLU 11 2HG GLU 11 -8.709 13.995 -2.199 73 HG3 GLU 11 3HG GLU 11 -8.204 14.882 -0.754 74 H ASP 12 H ASP 12 -9.095 10.439 -1.398 75 HA ASP 12 HA ASP 12 -9.425 8.150 -1.168 76 HB2 ASP 12 2HB ASP 12 -8.600 9.120 0.987 77 HB3 ASP 12 3HB ASP 12 -10.242 9.016 1.609 78 H THR 13 H THR 13 -11.309 8.200 -2.645 79 HA THR 13 HA THR 13 -13.722 7.098 -1.263 80 HB THR 13 HB THR 13 -13.649 9.646 -1.837 81 HG1 THR 13 1HG THR 13 -15.871 9.588 -1.824 82 HG21 THR 13 1HG2 THR 13 -14.871 8.618 -4.420 83 HG22 THR 13 2HG2 THR 13 -14.699 10.298 -3.897 84 HG23 THR 13 3HG2 THR 13 -13.250 9.348 -4.295 85 H GLU 14 H GLU 14 -11.391 6.328 -3.170 86 HA GLU 14 HA GLU 14 -12.921 4.554 -4.888 87 HB2 GLU 14 2HB GLU 14 -12.139 6.864 -6.044 88 HB3 GLU 14 3HB GLU 14 -10.588 6.036 -6.148 89 HG2 GLU 14 2HG GLU 14 -11.606 4.219 -7.441 90 HG3 GLU 14 3HG GLU 14 -13.226 4.864 -7.146 91 H GLU 15 H GLU 15 -9.506 5.754 -4.505 92 HA GLU 15 HA GLU 15 -8.738 3.791 -2.589 93 HB2 GLU 15 2HB GLU 15 -7.231 2.592 -4.287 94 HB3 GLU 15 3HB GLU 15 -8.919 2.147 -4.292 95 HG2 GLU 15 2HG GLU 15 -9.403 3.535 -6.226 96 HG3 GLU 15 3HG GLU 15 -7.813 4.256 -6.188 97 H LYS 16 H LYS 16 -6.793 4.430 -1.737 98 HA LYS 16 HA LYS 16 -4.950 5.997 -3.395 99 HB2 LYS 16 2HB LYS 16 -4.475 7.539 -1.442 100 HB3 LYS 16 3HB LYS 16 -5.971 7.834 -2.335 101 HG2 LYS 16 2HG LYS 16 -7.322 7.093 -0.669 102 HG3 LYS 16 3HG LYS 16 -6.051 6.116 0.097 103 HD2 LYS 16 2HD LYS 16 -6.552 8.185 1.410 104 HD3 LYS 16 3HD LYS 16 -4.876 8.127 0.837 105 HE2 LYS 16 2HE LYS 16 -5.463 9.559 -1.105 106 HE3 LYS 16 3HE LYS 16 -7.140 9.621 -0.584 107 HZ1 LYS 16 1HZ LYS 16 -6.530 10.867 1.290 108 HZ2 LYS 16 2HZ LYS 16 -4.894 10.642 1.046 109 HZ3 LYS 16 3HZ LYS 16 -5.803 11.521 0.006 110 H CYS 17 H CYS 17 -2.870 5.996 -2.735 111 HA CYS 17 HA CYS 17 -1.575 3.716 -1.396 112 HB2 CYS 17 2HB CYS 17 -0.838 5.126 -3.399 113 HB3 CYS 17 3HB CYS 17 -0.664 6.460 -2.277 114 H THR 18 H THR 18 -1.183 3.656 0.877 115 HA THR 18 HA THR 18 -1.817 6.078 2.405 116 HB THR 18 HB THR 18 -2.321 3.626 3.082 117 HG1 THR 18 1HG THR 18 -2.717 5.468 4.366 118 HG21 THR 18 1HG2 THR 18 0.431 3.982 4.348 119 HG22 THR 18 2HG2 THR 18 -0.676 2.626 4.554 120 HG23 THR 18 3HG2 THR 18 0.102 2.901 2.973 121 H ILE 19 H ILE 19 1.040 4.684 0.929 122 HA ILE 19 HA ILE 19 2.869 5.653 2.932 123 HB ILE 19 HB ILE 19 3.073 4.343 0.218 124 HG12 ILE 19 2HG1 ILE 19 4.068 3.296 2.887 125 HG13 ILE 19 3HG1 ILE 19 2.352 3.188 2.499 126 HG21 ILE 19 1HG2 ILE 19 5.028 5.759 0.378 127 HG22 ILE 19 2HG2 ILE 19 5.304 5.271 2.065 128 HG23 ILE 19 3HG2 ILE 19 5.535 4.102 0.745 129 HD11 ILE 19 1HD1 ILE 19 4.565 2.062 0.767 130 HD12 ILE 19 2HD1 ILE 19 3.519 1.138 1.867 131 HD13 ILE 19 3HD1 ILE 19 2.819 1.953 0.450 132 H CYS 20 H CYS 20 2.156 6.532 -0.508 133 HA CYS 20 HA CYS 20 3.598 9.157 -0.219 134 HB2 CYS 20 2HB CYS 20 3.137 9.323 -2.590 135 HB3 CYS 20 3HB CYS 20 4.003 7.821 -2.220 136 H LEU 21 H LEU 21 0.538 7.938 0.555 137 HA LEU 21 HA LEU 21 -1.548 8.794 0.697 138 HB2 LEU 21 2HB LEU 21 0.113 11.174 1.526 139 HB3 LEU 21 3HB LEU 21 -1.624 11.022 1.824 140 HG LEU 21 HG LEU 21 0.400 8.969 2.780 141 HD11 LEU 21 1HD1 LEU 21 0.908 11.101 3.834 142 HD12 LEU 21 2HD1 LEU 21 -0.796 11.298 4.313 143 HD13 LEU 21 3HD1 LEU 21 0.187 9.981 5.001 144 HD21 LEU 21 1HD2 LEU 21 -2.004 8.212 2.624 145 HD22 LEU 21 2HD2 LEU 21 -1.403 8.253 4.280 146 HD23 LEU 21 3HD2 LEU 21 -2.463 9.552 3.689 147 H SER 22 H SER 22 -0.958 8.637 -1.958 148 HA SER 22 HA SER 22 -2.420 11.025 -2.969 149 HB2 SER 22 2HB SER 22 -1.312 10.897 -5.022 150 HB3 SER 22 3HB SER 22 -0.016 10.660 -3.840 151 HG SER 22 HG SER 22 -1.344 8.714 -5.444 152 H ILE 23 H ILE 23 -4.109 10.535 -4.539 153 HA ILE 23 HA ILE 23 -5.477 8.019 -4.290 154 HB ILE 23 HB ILE 23 -5.583 10.464 -6.104 155 HG12 ILE 23 2HG1 ILE 23 -6.368 10.575 -3.658 156 HG13 ILE 23 3HG1 ILE 23 -7.475 11.149 -4.898 157 HG21 ILE 23 1HG2 ILE 23 -6.363 8.804 -7.539 158 HG22 ILE 23 2HG2 ILE 23 -7.291 7.971 -6.283 159 HG23 ILE 23 3HG2 ILE 23 -7.812 9.567 -6.896 160 HD11 ILE 23 1HD1 ILE 23 -8.492 9.701 -3.082 161 HD12 ILE 23 2HD1 ILE 23 -8.859 9.204 -4.737 162 HD13 ILE 23 3HD1 ILE 23 -7.645 8.322 -3.787 163 H LEU 24 H LEU 24 -5.689 6.523 -6.040 164 HA LEU 24 HA LEU 24 -3.253 6.119 -7.679 165 HB2 LEU 24 2HB LEU 24 -5.549 4.355 -6.724 166 HB3 LEU 24 3HB LEU 24 -4.168 3.746 -7.630 167 HG LEU 24 HG LEU 24 -3.833 5.151 -4.949 168 HD11 LEU 24 1HD1 LEU 24 -5.246 3.306 -4.589 169 HD12 LEU 24 2HD1 LEU 24 -4.227 2.224 -5.550 170 HD13 LEU 24 3HD1 LEU 24 -3.629 2.877 -3.992 171 HD21 LEU 24 1HD2 LEU 24 -1.696 3.832 -5.011 172 HD22 LEU 24 2HD2 LEU 24 -2.068 3.461 -6.712 173 HD23 LEU 24 3HD2 LEU 24 -1.873 5.152 -6.202 174 H GLU 25 H GLU 25 -4.675 4.297 -9.456 175 HA GLU 25 HA GLU 25 -7.044 5.642 -10.394 176 HB2 GLU 25 2HB GLU 25 -6.409 5.954 -12.697 177 HB3 GLU 25 3HB GLU 25 -5.291 6.851 -11.665 178 HG2 GLU 25 2HG GLU 25 -3.597 5.074 -11.932 179 HG3 GLU 25 3HG GLU 25 -4.729 4.121 -12.910 180 H GLU 26 H GLU 26 -8.035 4.295 -12.273 181 HA GLU 26 HA GLU 26 -8.265 1.629 -11.358 182 HB2 GLU 26 2HB GLU 26 -10.082 2.777 -12.525 183 HB3 GLU 26 3HB GLU 26 -9.088 2.978 -13.967 184 HG2 GLU 26 2HG GLU 26 -10.727 1.203 -14.287 185 HG3 GLU 26 3HG GLU 26 -9.095 0.553 -14.370 186 H GLY 27 H GLY 27 -7.186 -0.165 -11.819 187 HA2 GLY 27 2HA GLY 27 -5.687 -1.639 -12.740 188 HA3 GLY 27 3HA GLY 27 -5.859 -0.722 -14.242 189 H GLU 28 H GLU 28 -4.557 1.010 -11.409 190 HA GLU 28 HA GLU 28 -2.087 1.457 -12.774 191 HB2 GLU 28 2HB GLU 28 -3.333 2.945 -11.106 192 HB3 GLU 28 3HB GLU 28 -2.692 1.915 -9.824 193 HG2 GLU 28 2HG GLU 28 -0.384 2.519 -10.520 194 HG3 GLU 28 3HG GLU 28 -1.026 3.431 -11.893 195 H ASP 29 H ASP 29 0.059 0.972 -11.779 196 HA ASP 29 HA ASP 29 0.409 -1.773 -10.998 197 HB2 ASP 29 2HB ASP 29 2.380 0.507 -10.667 198 HB3 ASP 29 3HB ASP 29 2.730 -1.213 -10.745 199 H VAL 30 H VAL 30 -0.725 -2.217 -9.099 200 HA VAL 30 HA VAL 30 0.334 -0.996 -6.619 201 HB VAL 30 HB VAL 30 -1.998 -1.097 -5.685 202 HG11 VAL 30 1HG1 VAL 30 -2.800 1.004 -6.843 203 HG12 VAL 30 2HG1 VAL 30 -1.166 1.078 -6.187 204 HG13 VAL 30 3HG1 VAL 30 -1.424 0.867 -7.935 205 HG21 VAL 30 1HG2 VAL 30 -3.013 -2.567 -7.455 206 HG22 VAL 30 2HG2 VAL 30 -3.913 -1.060 -7.177 207 HG23 VAL 30 3HG2 VAL 30 -2.886 -1.206 -8.590 208 H ARG 31 H ARG 31 0.056 -2.448 -4.774 209 HA ARG 31 HA ARG 31 -0.256 -5.274 -5.524 210 HB2 ARG 31 2HB ARG 31 2.048 -3.883 -4.251 211 HB3 ARG 31 3HB ARG 31 1.467 -5.223 -3.269 212 HG2 ARG 31 2HG ARG 31 2.010 -5.555 -6.230 213 HG3 ARG 31 3HG ARG 31 3.300 -5.704 -5.029 214 HD2 ARG 31 2HD ARG 31 2.635 -7.733 -4.358 215 HD3 ARG 31 3HD ARG 31 0.924 -7.278 -4.303 216 HE ARG 31 HE ARG 31 1.509 -7.425 -6.995 217 HH11 ARG 31 1HH1 ARG 31 1.017 -10.862 -7.552 218 HH12 ARG 31 2HH1 ARG 31 1.052 -9.294 -8.271 219 HH21 ARG 31 1HH2 ARG 31 1.431 -11.094 -5.219 220 HH22 ARG 31 2HH2 ARG 31 1.746 -9.677 -4.284 221 H ARG 32 H ARG 32 -0.795 -6.523 -3.395 222 HA ARG 32 HA ARG 32 -2.570 -4.845 -1.723 223 HB2 ARG 32 2HB ARG 32 -3.598 -6.264 -3.711 224 HB3 ARG 32 3HB ARG 32 -3.315 -7.638 -2.646 225 HG2 ARG 32 2HG ARG 32 -4.994 -5.157 -2.038 226 HG3 ARG 32 3HG ARG 32 -5.600 -6.741 -2.511 227 HD2 ARG 32 2HD ARG 32 -4.036 -7.311 -0.235 228 HD3 ARG 32 3HD ARG 32 -4.740 -5.764 0.137 229 HE ARG 32 HE ARG 32 -6.857 -6.657 0.190 230 HH11 ARG 32 1HH1 ARG 32 -7.930 -9.986 -0.238 231 HH12 ARG 32 2HH1 ARG 32 -8.383 -8.410 0.291 232 HH21 ARG 32 1HH2 ARG 32 -5.732 -10.378 -1.044 233 HH22 ARG 32 2HH2 ARG 32 -4.611 -9.065 -1.075 234 H LEU 33 H LEU 33 -2.411 -5.389 0.455 235 HA LEU 33 HA LEU 33 -0.533 -7.553 1.150 236 HB2 LEU 33 2HB LEU 33 -0.467 -5.823 3.251 237 HB3 LEU 33 3HB LEU 33 0.717 -5.836 1.952 238 HG LEU 33 HG LEU 33 -1.777 -4.108 1.913 239 HD11 LEU 33 1HD1 LEU 33 -0.559 -2.362 2.971 240 HD12 LEU 33 2HD1 LEU 33 -0.104 -3.760 3.933 241 HD13 LEU 33 3HD1 LEU 33 1.013 -3.156 2.718 242 HD21 LEU 33 1HD2 LEU 33 -0.756 -4.035 -0.297 243 HD22 LEU 33 2HD2 LEU 33 -0.217 -2.594 0.528 244 HD23 LEU 33 3HD2 LEU 33 0.873 -3.993 0.401 245 HA PRO 34 HA PRO 34 -3.463 -9.732 3.104 246 HB2 PRO 34 2HB PRO 34 -2.429 -10.492 5.565 247 HB3 PRO 34 3HB PRO 34 -1.909 -11.158 3.989 248 HG2 PRO 34 2HG PRO 34 -0.571 -9.051 5.671 249 HG3 PRO 34 3HG PRO 34 0.168 -10.364 4.699 250 HD2 PRO 34 2HD PRO 34 -0.039 -7.724 3.923 251 HD3 PRO 34 3HD PRO 34 0.098 -9.039 2.757 252 H CYS 35 H CYS 35 -2.284 -6.977 4.906 253 HA CYS 35 HA CYS 35 -4.488 -6.771 6.837 254 HB2 CYS 35 2HB CYS 35 -3.113 -5.076 7.632 255 HB3 CYS 35 3HB CYS 35 -1.942 -6.233 6.982 256 H MET 36 H MET 36 -5.140 -6.840 3.983 257 HA MET 36 HA MET 36 -6.331 -5.932 2.392 258 HB2 MET 36 2HB MET 36 -8.071 -5.095 4.732 259 HB3 MET 36 3HB MET 36 -8.552 -5.137 3.025 260 HG2 MET 36 2HG MET 36 -7.758 -7.603 3.044 261 HG3 MET 36 3HG MET 36 -7.812 -7.467 4.802 262 HE1 MET 36 1HE MET 36 -11.224 -8.817 5.333 263 HE2 MET 36 2HE MET 36 -9.560 -9.403 5.094 264 HE3 MET 36 3HE MET 36 -9.871 -7.992 6.137 265 H HIS 37 H HIS 37 -4.385 -4.565 2.185 266 HA HIS 37 HA HIS 37 -5.427 -1.808 1.769 267 HB2 HIS 37 1HB HIS 37 -2.985 -2.704 3.275 268 HB3 HIS 37 2HB HIS 37 -2.835 -1.293 2.240 269 HD2 HIS 37 2HD HIS 37 -4.930 0.620 2.645 270 HE1 HIS 37 1HE HIS 37 -5.167 -0.188 6.814 271 HE2 HIS 37 2HE HIS 37 -5.771 1.477 4.969 272 H LEU 38 H LEU 38 -4.423 -0.665 -0.014 273 HA LEU 38 HA LEU 38 -3.293 -2.423 -2.129 274 HB2 LEU 38 2HB LEU 38 -5.778 -2.187 -2.352 275 HB3 LEU 38 3HB LEU 38 -5.612 -0.444 -2.246 276 HG LEU 38 HG LEU 38 -3.896 -0.974 -4.341 277 HD11 LEU 38 1HD1 LEU 38 -5.028 -2.582 -5.823 278 HD12 LEU 38 2HD1 LEU 38 -4.486 -3.380 -4.333 279 HD13 LEU 38 3HD1 LEU 38 -6.204 -2.951 -4.556 280 HD21 LEU 38 1HD2 LEU 38 -5.704 -0.154 -5.785 281 HD22 LEU 38 2HD2 LEU 38 -6.902 -0.507 -4.525 282 HD23 LEU 38 3HD2 LEU 38 -5.663 0.738 -4.267 283 H PHE 39 H PHE 39 -1.279 -1.438 -2.463 284 HA PHE 39 HA PHE 39 -1.136 1.553 -2.401 285 HB2 PHE 39 2HB PHE 39 0.742 -0.467 -1.125 286 HB3 PHE 39 3HB PHE 39 1.048 1.262 -1.199 287 HD1 PHE 39 1HD PHE 39 1.155 -0.410 1.295 288 HD2 PHE 39 2HD PHE 39 -2.099 1.842 -0.417 289 HE1 PHE 39 1HE PHE 39 0.099 -0.207 3.523 290 HE2 PHE 39 2HE PHE 39 -3.177 1.965 1.762 291 HZ PHE 39 HZ PHE 39 -2.093 0.932 3.764 292 H HIS 40 H HIS 40 0.721 2.393 -3.695 293 HA HIS 40 HA HIS 40 0.986 1.164 -6.219 294 HB2 HIS 40 1HB HIS 40 2.926 2.976 -4.759 295 HB3 HIS 40 2HB HIS 40 3.114 2.512 -6.442 296 HD2 HIS 40 2HD HIS 40 0.813 3.158 -8.063 297 HE1 HIS 40 1HE HIS 40 0.483 6.905 -6.059 298 HE2 HIS 40 2HE HIS 40 -0.162 5.544 -8.175 299 H GLN 41 H GLN 41 2.446 -0.201 -7.173 300 HA GLN 41 HA GLN 41 4.002 -2.058 -5.625 301 HB2 GLN 41 2HB GLN 41 3.141 -1.631 -8.421 302 HB3 GLN 41 3HB GLN 41 4.768 -2.281 -8.331 303 HG2 GLN 41 2HG GLN 41 4.001 -4.036 -6.774 304 HG3 GLN 41 3HG GLN 41 2.349 -3.403 -6.890 305 HE21 GLN 41 1HE2 GLN 41 1.018 -4.226 -8.615 306 HE22 GLN 41 2HE2 GLN 41 1.719 -5.148 -9.932 307 H VAL 42 H VAL 42 4.804 0.963 -5.681 308 HA VAL 42 HA VAL 42 7.700 0.442 -6.059 309 HB VAL 42 HB VAL 42 6.237 3.030 -6.752 310 HG11 VAL 42 1HG1 VAL 42 8.420 3.719 -7.685 311 HG12 VAL 42 2HG1 VAL 42 8.559 3.387 -5.952 312 HG13 VAL 42 3HG1 VAL 42 9.148 2.195 -7.132 313 HG21 VAL 42 1HG2 VAL 42 5.724 1.351 -8.450 314 HG22 VAL 42 2HG2 VAL 42 6.916 2.476 -9.104 315 HG23 VAL 42 3HG2 VAL 42 7.431 0.870 -8.542 316 H CYS 43 H CYS 43 5.361 2.843 -4.652 317 HA CYS 43 HA CYS 43 6.769 3.638 -2.342 318 HB2 CYS 43 2HB CYS 43 3.809 2.964 -2.478 319 HB3 CYS 43 3HB CYS 43 4.632 4.113 -1.428 320 H VAL 44 H VAL 44 4.526 0.809 -2.689 321 HA VAL 44 HA VAL 44 5.123 -0.019 -0.028 322 HB VAL 44 HB VAL 44 2.964 -0.298 -1.399 323 HG11 VAL 44 1HG1 VAL 44 2.649 -2.339 -2.548 324 HG12 VAL 44 2HG1 VAL 44 4.197 -1.726 -3.180 325 HG13 VAL 44 3HG1 VAL 44 4.201 -3.007 -1.966 326 HG21 VAL 44 1HG2 VAL 44 2.364 -2.207 0.029 327 HG22 VAL 44 2HG2 VAL 44 4.087 -2.543 0.310 328 HG23 VAL 44 3HG2 VAL 44 3.374 -1.046 0.926 329 H ASP 45 H ASP 45 6.678 -0.585 -3.022 330 HA ASP 45 HA ASP 45 7.851 -3.168 -2.419 331 HB2 ASP 45 2HB ASP 45 7.842 -2.237 -4.708 332 HB3 ASP 45 3HB ASP 45 8.918 -0.929 -4.195 333 H GLN 46 H GLN 46 9.237 0.160 -2.311 334 HA GLN 46 HA GLN 46 11.423 -0.623 -0.644 335 HB2 GLN 46 2HB GLN 46 10.064 2.076 -1.099 336 HB3 GLN 46 3HB GLN 46 11.549 1.905 -0.160 337 HG2 GLN 46 2HG GLN 46 11.379 0.904 -3.031 338 HG3 GLN 46 3HG GLN 46 11.744 2.587 -2.641 339 HE21 GLN 46 1HE2 GLN 46 13.954 2.783 -3.133 340 HE22 GLN 46 2HE2 GLN 46 15.152 1.723 -2.402 341 H ALA 47 H ALA 47 8.109 0.260 0.213 342 HA ALA 47 HA ALA 47 8.568 0.578 3.006 343 HB1 ALA 47 1HB ALA 47 6.459 1.073 1.767 344 HB2 ALA 47 2HB ALA 47 6.164 -0.680 1.642 345 HB3 ALA 47 3HB ALA 47 6.203 0.099 3.237 346 H LEU 48 H LEU 48 7.501 -2.376 1.239 347 HA LEU 48 HA LEU 48 7.554 -4.151 3.382 348 HB2 LEU 48 2HB LEU 48 6.423 -4.422 1.211 349 HB3 LEU 48 3HB LEU 48 7.962 -4.637 0.388 350 HG LEU 48 HG LEU 48 7.129 -6.477 2.659 351 HD11 LEU 48 1HD1 LEU 48 6.347 -6.731 -0.270 352 HD12 LEU 48 2HD1 LEU 48 6.103 -7.974 0.980 353 HD13 LEU 48 3HD1 LEU 48 5.244 -6.433 1.090 354 HD21 LEU 48 1HD2 LEU 48 8.849 -6.879 0.160 355 HD22 LEU 48 2HD2 LEU 48 9.454 -6.773 1.824 356 HD23 LEU 48 3HD2 LEU 48 8.456 -8.145 1.340 357 H ILE 49 H ILE 49 10.166 -3.483 0.941 358 HA ILE 49 HA ILE 49 11.934 -5.370 2.144 359 HB ILE 49 HB ILE 49 13.661 -4.490 0.812 360 HG12 ILE 49 2HG1 ILE 49 12.936 -2.355 -0.666 361 HG13 ILE 49 3HG1 ILE 49 12.207 -1.950 0.897 362 HG21 ILE 49 1HG2 ILE 49 12.765 -4.729 -1.369 363 HG22 ILE 49 2HG2 ILE 49 11.791 -5.747 -0.292 364 HG23 ILE 49 3HG2 ILE 49 11.164 -4.193 -0.869 365 HD11 ILE 49 1HD1 ILE 49 14.423 -2.300 2.000 366 HD12 ILE 49 2HD1 ILE 49 15.125 -2.665 0.410 367 HD13 ILE 49 3HD1 ILE 49 14.481 -1.048 0.752 368 H THR 50 H THR 50 11.249 -1.949 2.917 369 HA THR 50 HA THR 50 13.479 -1.617 4.667 370 HB THR 50 HB THR 50 10.800 -0.231 4.363 371 HG1 THR 50 1HG THR 50 12.292 0.311 2.890 372 HG21 THR 50 1HG2 THR 50 12.916 0.404 6.447 373 HG22 THR 50 2HG2 THR 50 11.611 1.500 5.937 374 HG23 THR 50 3HG2 THR 50 11.208 -0.020 6.741 375 H ASN 51 H ASN 51 10.072 -2.680 5.239 376 HA ASN 51 HA ASN 51 10.909 -4.531 7.250 377 HB2 ASN 51 2HB ASN 51 9.761 -1.880 8.106 378 HB3 ASN 51 3HB ASN 51 9.043 -3.325 8.814 379 HD21 ASN 51 1HD2 ASN 51 11.459 -1.093 9.421 380 HD22 ASN 51 2HD2 ASN 51 12.446 -2.141 10.425 381 H LYS 52 H LYS 52 9.437 -6.210 7.070 382 HA LYS 52 HA LYS 52 7.046 -5.773 5.424 383 HB2 LYS 52 2HB LYS 52 8.046 -8.258 6.899 384 HB3 LYS 52 3HB LYS 52 6.657 -8.171 5.815 385 HG2 LYS 52 2HG LYS 52 8.082 -8.710 4.154 386 HG3 LYS 52 3HG LYS 52 8.609 -7.036 4.240 387 HD2 LYS 52 2HD LYS 52 10.405 -7.730 5.871 388 HD3 LYS 52 3HD LYS 52 9.873 -9.412 5.652 389 HE2 LYS 52 2HE LYS 52 10.186 -8.983 3.116 390 HE3 LYS 52 3HE LYS 52 11.039 -7.502 3.587 391 HZ1 LYS 52 1HZ LYS 52 11.773 -10.265 4.346 392 HZ2 LYS 52 2HZ LYS 52 12.566 -9.318 3.259 393 HZ3 LYS 52 3HZ LYS 52 12.568 -8.912 4.854 394 H LYS 53 H LYS 53 5.929 -4.178 6.756 395 HA LYS 53 HA LYS 53 4.145 -5.590 8.567 396 HB2 LYS 53 2HB LYS 53 4.454 -4.030 10.463 397 HB3 LYS 53 3HB LYS 53 5.871 -5.031 10.135 398 HG2 LYS 53 2HG LYS 53 6.672 -2.927 8.726 399 HG3 LYS 53 3HG LYS 53 5.520 -2.060 9.737 400 HD2 LYS 53 2HD LYS 53 7.859 -3.772 10.733 401 HD3 LYS 53 3HD LYS 53 7.847 -2.017 10.586 402 HE2 LYS 53 2HE LYS 53 7.444 -2.307 12.829 403 HE3 LYS 53 3HE LYS 53 5.816 -2.049 12.184 404 HZ1 LYS 53 1HZ LYS 53 5.516 -4.460 12.246 405 HZ2 LYS 53 2HZ LYS 53 7.046 -4.672 12.807 406 HZ3 LYS 53 3HZ LYS 53 5.933 -3.903 13.737 407 H CYS 54 H CYS 54 2.062 -4.743 8.361 408 HA CYS 54 HA CYS 54 1.497 -2.625 6.403 409 HB2 CYS 54 2HB CYS 54 0.090 -4.643 6.995 410 HB3 CYS 54 3HB CYS 54 -0.263 -3.869 8.540 411 HA PRO 55 HA PRO 55 2.447 0.520 9.370 412 HB2 PRO 55 2HB PRO 55 1.138 2.727 8.291 413 HB3 PRO 55 3HB PRO 55 2.686 2.052 7.707 414 HG2 PRO 55 2HG PRO 55 -0.088 1.552 6.613 415 HG3 PRO 55 3HG PRO 55 1.426 1.884 5.715 416 HD2 PRO 55 2HD PRO 55 0.459 -0.639 6.027 417 HD3 PRO 55 3HD PRO 55 2.219 -0.310 6.065 418 H ILE 56 H ILE 56 -0.968 1.251 8.397 419 HA ILE 56 HA ILE 56 -1.652 1.570 11.245 420 HB ILE 56 HB ILE 56 -3.846 2.335 10.323 421 HG12 ILE 56 2HG1 ILE 56 -2.512 2.369 7.583 422 HG13 ILE 56 3HG1 ILE 56 -3.519 1.010 8.092 423 HG21 ILE 56 1HG2 ILE 56 -1.931 3.842 10.880 424 HG22 ILE 56 2HG2 ILE 56 -1.422 3.789 9.179 425 HG23 ILE 56 3HG2 ILE 56 -2.990 4.493 9.627 426 HD11 ILE 56 1HD1 ILE 56 -5.433 2.510 8.448 427 HD12 ILE 56 2HD1 ILE 56 -4.444 3.912 7.978 428 HD13 ILE 56 3HD1 ILE 56 -4.813 2.653 6.791 429 H CYS 57 H CYS 57 -0.945 -0.960 10.814 430 HA CYS 57 HA CYS 57 -3.278 -2.471 11.670 431 HB2 CYS 57 2HB CYS 57 -2.550 -4.212 9.672 432 HB3 CYS 57 3HB CYS 57 -4.020 -3.261 9.776 433 H ARG 58 H ARG 58 0.187 -2.255 11.017 434 HA ARG 58 HA ARG 58 1.954 -3.269 11.829 435 HB2 ARG 58 2HB ARG 58 0.863 -2.073 13.837 436 HB3 ARG 58 3HB ARG 58 0.378 -3.682 14.375 437 HG2 ARG 58 2HG ARG 58 3.117 -3.991 13.790 438 HG3 ARG 58 3HG ARG 58 3.050 -2.356 14.386 439 HD2 ARG 58 2HD ARG 58 1.515 -4.255 16.082 440 HD3 ARG 58 3HD ARG 58 3.205 -4.716 15.878 441 HE ARG 58 HE ARG 58 3.015 -1.931 16.502 442 HH11 ARG 58 1HH1 ARG 58 3.794 -2.358 19.915 443 HH12 ARG 58 2HH1 ARG 58 3.760 -1.244 18.601 444 HH21 ARG 58 1HH2 ARG 58 3.138 -4.613 19.573 445 HH22 ARG 58 2HH2 ARG 58 2.609 -5.097 18.002 446 H VAL 59 H VAL 59 0.110 -5.176 10.496 447 HA VAL 59 HA VAL 59 0.905 -7.697 11.883 448 HB VAL 59 HB VAL 59 -1.446 -7.382 11.168 449 HG11 VAL 59 1HG1 VAL 59 -0.371 -7.476 8.337 450 HG12 VAL 59 2HG1 VAL 59 -2.077 -7.560 8.826 451 HG13 VAL 59 3HG1 VAL 59 -1.143 -6.083 9.134 452 HG21 VAL 59 1HG2 VAL 59 -0.117 -9.631 9.614 453 HG22 VAL 59 2HG2 VAL 59 -0.442 -9.668 11.367 454 HG23 VAL 59 3HG2 VAL 59 -1.779 -9.569 10.209 455 H ASP 60 H ASP 60 1.912 -9.329 10.547 456 HA ASP 60 HA ASP 60 4.101 -8.231 8.960 457 HB2 ASP 60 2HB ASP 60 4.326 -10.226 10.414 458 HB3 ASP 60 3HB ASP 60 3.162 -11.088 9.402 459 H ILE 61 H ILE 61 4.329 -8.444 6.762 460 HA ILE 61 HA ILE 61 1.973 -9.332 5.179 461 HB ILE 61 HB ILE 61 2.469 -7.655 3.563 462 HG12 ILE 61 2HG1 ILE 61 4.729 -6.756 5.404 463 HG13 ILE 61 3HG1 ILE 61 4.926 -7.542 3.822 464 HG21 ILE 61 1HG2 ILE 61 1.594 -5.782 4.717 465 HG22 ILE 61 2HG2 ILE 61 1.080 -7.159 5.701 466 HG23 ILE 61 3HG2 ILE 61 2.473 -6.202 6.217 467 HD11 ILE 61 1HD1 ILE 61 3.541 -5.704 2.837 468 HD12 ILE 61 2HD1 ILE 61 3.718 -4.841 4.392 469 HD13 ILE 61 3HD1 ILE 61 5.167 -5.227 3.434 470 H GLU 62 H GLU 62 5.322 -9.762 5.757 471 HA GLU 62 HA GLU 62 6.466 -10.504 3.374 472 HB2 GLU 62 2HB GLU 62 7.517 -10.449 5.677 473 HB3 GLU 62 3HB GLU 62 6.765 -11.992 6.027 474 HG2 GLU 62 2HG GLU 62 8.182 -12.115 3.464 475 HG3 GLU 62 3HG GLU 62 9.240 -11.452 4.697 476 H ALA 63 H ALA 63 4.745 -12.773 5.583 477 HA ALA 63 HA ALA 63 3.302 -13.928 3.373 478 HB1 ALA 63 1HB ALA 63 5.512 -15.134 3.210 479 HB2 ALA 63 2HB ALA 63 5.308 -15.670 4.883 480 HB3 ALA 63 3HB ALA 63 4.174 -16.218 3.612 481 H GLN 64 H GLN 64 2.180 -16.098 4.544 482 HA GLN 64 HA GLN 64 1.961 -15.784 7.421 483 HB2 GLN 64 2HB GLN 64 0.277 -14.136 6.519 484 HB3 GLN 64 3HB GLN 64 -0.580 -15.467 5.752 485 HG2 GLN 64 2HG GLN 64 0.003 -15.968 8.621 486 HG3 GLN 64 3HG GLN 64 -0.892 -14.473 8.381 487 HE21 GLN 64 1HE2 GLN 64 -2.796 -14.828 6.568 488 HE22 GLN 64 2HE2 GLN 64 -3.780 -16.230 6.981 489 H LEU 65 H LEU 65 3.155 -17.791 6.697 490 HA LEU 65 HA LEU 65 1.645 -20.070 7.125 491 HB2 LEU 65 2HB LEU 65 1.252 -19.398 4.441 492 HB3 LEU 65 3HB LEU 65 2.607 -20.513 4.356 493 HG LEU 65 HG LEU 65 1.295 -22.162 5.731 494 HD11 LEU 65 1HD1 LEU 65 -0.999 -20.209 5.209 495 HD12 LEU 65 2HD1 LEU 65 -1.177 -21.864 5.833 496 HD13 LEU 65 3HD1 LEU 65 -0.361 -20.633 6.801 497 HD21 LEU 65 1HD2 LEU 65 -0.175 -22.814 3.846 498 HD22 LEU 65 2HD2 LEU 65 0.024 -21.201 3.130 499 HD23 LEU 65 3HD2 LEU 65 1.417 -22.296 3.267 500 HA PRO 66 HA PRO 66 6.131 -21.324 6.343 501 HB2 PRO 66 2HB PRO 66 7.992 -19.668 5.233 502 HB3 PRO 66 3HB PRO 66 6.825 -20.580 4.230 503 HG2 PRO 66 2HG PRO 66 6.623 -17.703 5.167 504 HG3 PRO 66 3HG PRO 66 6.416 -18.339 3.502 505 HD2 PRO 66 2HD PRO 66 4.319 -17.860 5.174 506 HD3 PRO 66 3HD PRO 66 4.294 -19.198 3.990 507 H SER 67 H SER 67 8.472 -20.468 7.303 508 HA SER 67 HA SER 67 8.063 -18.324 9.272 509 HB2 SER 67 2HB SER 67 8.909 -21.169 9.978 510 HB3 SER 67 3HB SER 67 8.963 -19.772 11.072 511 HG SER 67 HG SER 67 6.552 -19.734 10.126 512 H GLU 68 H GLU 68 9.656 -17.017 8.707 513 HA GLU 68 HA GLU 68 11.617 -16.155 8.136 514 HB2 GLU 68 2HB GLU 68 12.821 -18.727 9.227 515 HB3 GLU 68 3HB GLU 68 13.716 -17.258 8.821 516 HG2 GLU 68 2HG GLU 68 12.413 -15.961 10.455 517 HG3 GLU 68 3HG GLU 68 11.459 -17.385 10.874 518 H SER 69 H SER 69 13.760 -16.639 6.733 519 HA SER 69 HA SER 69 13.523 -18.495 4.576 520 HB2 SER 69 2HB SER 69 12.869 -15.544 4.157 521 HB3 SER 69 3HB SER 69 13.516 -16.577 2.867 522 HG SER 69 HG SER 69 11.225 -17.314 4.347 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -21.456 43.069 -23.359 2 H2 MET 1 H2 MET 1 -21.463 42.714 -24.968 3 H3 MET 1 H3 MET 1 -22.098 41.645 -23.873 4 HA MET 1 HA MET 1 -19.983 40.837 -24.547 5 HB2 MET 1 2HB MET 1 -17.970 42.260 -23.858 6 HB3 MET 1 3HB MET 1 -18.820 42.717 -25.330 7 HG2 MET 1 2HG MET 1 -19.401 44.055 -22.661 8 HG3 MET 1 3HG MET 1 -18.127 44.598 -23.744 9 HE1 MET 1 1HE MET 1 -20.678 47.413 -24.122 10 HE2 MET 1 2HE MET 1 -21.210 46.344 -22.806 11 HE3 MET 1 3HE MET 1 -19.478 46.697 -23.022 12 H LYS 2 H LYS 2 -19.602 39.248 -23.008 13 HA LYS 2 HA LYS 2 -18.791 39.898 -20.363 14 HB2 LYS 2 2HB LYS 2 -21.562 39.997 -20.681 15 HB3 LYS 2 3HB LYS 2 -21.345 38.321 -20.246 16 HG2 LYS 2 2HG LYS 2 -20.060 40.543 -18.599 17 HG3 LYS 2 3HG LYS 2 -21.774 40.200 -18.469 18 HD2 LYS 2 2HD LYS 2 -20.993 37.696 -18.054 19 HD3 LYS 2 3HD LYS 2 -19.446 38.459 -17.661 20 HE2 LYS 2 2HE LYS 2 -20.648 38.266 -15.601 21 HE3 LYS 2 3HE LYS 2 -20.703 39.976 -16.054 22 HZ1 LYS 2 1HZ LYS 2 -22.848 39.195 -15.331 23 HZ2 LYS 2 2HZ LYS 2 -22.939 39.576 -16.926 24 HZ3 LYS 2 3HZ LYS 2 -22.864 38.000 -16.457 25 H GLN 3 H GLN 3 -17.954 37.865 -19.389 26 HA GLN 3 HA GLN 3 -18.709 35.320 -20.482 27 HB2 GLN 3 2HB GLN 3 -16.131 36.626 -21.295 28 HB3 GLN 3 3HB GLN 3 -15.951 35.028 -20.598 29 HG2 GLN 3 2HG GLN 3 -18.131 34.875 -22.485 30 HG3 GLN 3 3HG GLN 3 -16.805 35.734 -23.261 31 HE21 GLN 3 1HE2 GLN 3 -15.494 34.281 -24.428 32 HE22 GLN 3 2HE2 GLN 3 -15.147 32.659 -23.847 33 H ASP 4 H ASP 4 -18.269 33.718 -18.903 34 HA ASP 4 HA ASP 4 -16.438 34.022 -16.775 35 HB2 ASP 4 2HB ASP 4 -18.213 35.669 -15.992 36 HB3 ASP 4 3HB ASP 4 -19.390 34.352 -16.045 37 H GLY 5 H GLY 5 -16.599 31.990 -15.420 38 HA2 GLY 5 2HA GLY 5 -18.451 30.093 -15.298 39 HA3 GLY 5 3HA GLY 5 -17.844 29.763 -16.929 40 H GLU 6 H GLU 6 -17.487 28.832 -13.722 41 HA GLU 6 HA GLU 6 -15.059 27.374 -14.434 42 HB2 GLU 6 2HB GLU 6 -15.139 29.533 -12.400 43 HB3 GLU 6 3HB GLU 6 -14.670 27.968 -11.725 44 HG2 GLU 6 2HG GLU 6 -12.978 27.715 -13.557 45 HG3 GLU 6 3HG GLU 6 -13.334 29.373 -14.068 46 H GLU 7 H GLU 7 -15.339 25.231 -13.772 47 HA GLU 7 HA GLU 7 -16.586 24.648 -11.316 48 HB2 GLU 7 2HB GLU 7 -18.619 24.750 -12.829 49 HB3 GLU 7 3HB GLU 7 -17.898 23.476 -13.817 50 HG2 GLU 7 2HG GLU 7 -17.849 22.743 -10.972 51 HG3 GLU 7 3HG GLU 7 -19.473 23.227 -11.437 52 H GLY 8 H GLY 8 -15.412 22.891 -10.606 53 HA2 GLY 8 2HA GLY 8 -14.440 20.766 -12.204 54 HA3 GLY 8 3HA GLY 8 -13.142 21.969 -12.008 55 H THR 9 H THR 9 -14.624 19.251 -10.566 56 HA THR 9 HA THR 9 -13.177 19.702 -8.046 57 HB THR 9 HB THR 9 -15.206 18.745 -6.866 58 HG1 THR 9 1HG THR 9 -17.156 18.823 -7.983 59 HG21 THR 9 1HG2 THR 9 -14.695 21.215 -6.862 60 HG22 THR 9 2HG2 THR 9 -15.786 21.399 -8.253 61 HG23 THR 9 3HG2 THR 9 -16.422 20.839 -6.698 62 H GLU 10 H GLU 10 -13.112 17.426 -6.842 63 HA GLU 10 HA GLU 10 -13.445 15.163 -8.614 64 HB2 GLU 10 2HB GLU 10 -11.168 16.357 -9.137 65 HB3 GLU 10 3HB GLU 10 -10.652 15.755 -7.556 66 HG2 GLU 10 2HG GLU 10 -11.110 13.433 -8.297 67 HG3 GLU 10 3HG GLU 10 -11.764 14.040 -9.826 68 H GLU 11 H GLU 11 -13.299 13.140 -7.274 69 HA GLU 11 HA GLU 11 -12.868 13.505 -4.411 70 HB2 GLU 11 2HB GLU 11 -15.119 12.731 -3.822 71 HB3 GLU 11 3HB GLU 11 -15.168 14.262 -4.692 72 HG2 GLU 11 2HG GLU 11 -15.668 12.866 -6.819 73 HG3 GLU 11 3HG GLU 11 -15.959 11.513 -5.716 74 H ASP 12 H ASP 12 -11.718 11.666 -3.779 75 HA ASP 12 HA ASP 12 -12.768 9.099 -4.456 76 HB2 ASP 12 2HB ASP 12 -11.285 9.635 -6.478 77 HB3 ASP 12 3HB ASP 12 -9.917 9.638 -5.363 78 H THR 13 H THR 13 -12.135 7.712 -2.876 79 HA THR 13 HA THR 13 -9.841 8.151 -1.152 80 HB THR 13 HB THR 13 -12.605 8.173 0.146 81 HG1 THR 13 1HG THR 13 -10.967 10.189 -0.745 82 HG21 THR 13 1HG2 THR 13 -9.801 8.388 1.309 83 HG22 THR 13 2HG2 THR 13 -11.237 9.011 2.153 84 HG23 THR 13 3HG2 THR 13 -11.118 7.293 1.796 85 H GLU 14 H GLU 14 -11.315 5.992 -3.056 86 HA GLU 14 HA GLU 14 -11.895 3.829 -1.191 87 HB2 GLU 14 2HB GLU 14 -11.765 4.223 -4.197 88 HB3 GLU 14 3HB GLU 14 -11.725 2.586 -3.544 89 HG2 GLU 14 2HG GLU 14 -13.896 4.583 -2.801 90 HG3 GLU 14 3HG GLU 14 -14.022 3.478 -4.174 91 H GLU 15 H GLU 15 -9.303 4.698 -3.545 92 HA GLU 15 HA GLU 15 -7.541 2.814 -2.064 93 HB2 GLU 15 2HB GLU 15 -6.611 2.116 -4.234 94 HB3 GLU 15 3HB GLU 15 -8.242 1.576 -3.878 95 HG2 GLU 15 2HG GLU 15 -9.210 3.253 -5.383 96 HG3 GLU 15 3HG GLU 15 -7.609 3.901 -5.741 97 H LYS 16 H LYS 16 -6.148 4.043 -1.019 98 HA LYS 16 HA LYS 16 -4.733 6.138 -2.530 99 HB2 LYS 16 2HB LYS 16 -6.393 6.841 -0.663 100 HB3 LYS 16 3HB LYS 16 -5.229 6.133 0.487 101 HG2 LYS 16 2HG LYS 16 -3.473 7.596 -0.523 102 HG3 LYS 16 3HG LYS 16 -4.733 8.299 -1.558 103 HD2 LYS 16 2HD LYS 16 -5.830 8.581 0.986 104 HD3 LYS 16 3HD LYS 16 -4.095 8.837 1.273 105 HE2 LYS 16 2HE LYS 16 -4.210 10.392 -0.823 106 HE3 LYS 16 3HE LYS 16 -5.968 10.321 -0.615 107 HZ1 LYS 16 1HZ LYS 16 -3.949 11.347 1.255 108 HZ2 LYS 16 2HZ LYS 16 -5.107 12.213 0.494 109 HZ3 LYS 16 3HZ LYS 16 -5.550 11.154 1.682 110 H CYS 17 H CYS 17 -2.672 5.951 -2.486 111 HA CYS 17 HA CYS 17 -1.008 3.796 -1.262 112 HB2 CYS 17 2HB CYS 17 -0.462 5.103 -3.357 113 HB3 CYS 17 3HB CYS 17 -0.422 6.551 -2.398 114 H THR 18 H THR 18 -1.767 3.916 1.008 115 HA THR 18 HA THR 18 -1.773 6.370 2.393 116 HB THR 18 HB THR 18 -2.688 4.148 3.193 117 HG1 THR 18 1HG THR 18 -1.164 5.871 4.849 118 HG21 THR 18 1HG2 THR 18 -1.280 2.722 4.483 119 HG22 THR 18 2HG2 THR 18 -0.406 2.994 2.944 120 HG23 THR 18 3HG2 THR 18 0.085 3.849 4.414 121 H ILE 19 H ILE 19 0.962 4.644 1.148 122 HA ILE 19 HA ILE 19 2.888 5.403 3.109 123 HB ILE 19 HB ILE 19 2.954 4.309 0.290 124 HG12 ILE 19 2HG1 ILE 19 3.932 2.846 2.735 125 HG13 ILE 19 3HG1 ILE 19 2.185 3.029 2.560 126 HG21 ILE 19 1HG2 ILE 19 5.382 3.796 0.825 127 HG22 ILE 19 2HG2 ILE 19 5.003 5.510 0.537 128 HG23 ILE 19 3HG2 ILE 19 5.229 4.917 2.197 129 HD11 ILE 19 1HD1 ILE 19 2.983 0.942 1.530 130 HD12 ILE 19 2HD1 ILE 19 2.216 2.036 0.355 131 HD13 ILE 19 3HD1 ILE 19 3.990 1.882 0.407 132 H CYS 20 H CYS 20 2.006 6.637 -0.196 133 HA CYS 20 HA CYS 20 3.596 9.160 0.298 134 HB2 CYS 20 2HB CYS 20 3.281 9.528 -2.065 135 HB3 CYS 20 3HB CYS 20 4.131 8.010 -1.755 136 H LEU 21 H LEU 21 0.635 7.981 1.069 137 HA LEU 21 HA LEU 21 -1.425 8.752 1.423 138 HB2 LEU 21 2HB LEU 21 0.143 11.308 1.895 139 HB3 LEU 21 3HB LEU 21 -1.535 11.075 2.393 140 HG LEU 21 HG LEU 21 0.714 9.224 3.306 141 HD11 LEU 21 1HD1 LEU 21 -0.454 11.666 4.674 142 HD12 LEU 21 2HD1 LEU 21 0.685 10.493 5.394 143 HD13 LEU 21 3HD1 LEU 21 1.195 11.485 4.017 144 HD21 LEU 21 1HD2 LEU 21 -1.556 8.280 3.498 145 HD22 LEU 21 2HD2 LEU 21 -0.918 8.672 5.093 146 HD23 LEU 21 3HD2 LEU 21 -2.119 9.744 4.340 147 H SER 22 H SER 22 -0.672 8.667 -1.313 148 HA SER 22 HA SER 22 -2.111 11.006 -2.477 149 HB2 SER 22 2HB SER 22 0.493 10.362 -2.874 150 HB3 SER 22 3HB SER 22 -0.244 9.329 -4.112 151 HG SER 22 HG SER 22 -0.142 12.104 -3.877 152 H ILE 23 H ILE 23 -3.724 10.517 -4.154 153 HA ILE 23 HA ILE 23 -4.930 7.908 -3.844 154 HB ILE 23 HB ILE 23 -5.478 10.439 -5.403 155 HG12 ILE 23 2HG1 ILE 23 -5.900 10.349 -2.908 156 HG13 ILE 23 3HG1 ILE 23 -7.279 10.781 -3.901 157 HG21 ILE 23 1HG2 ILE 23 -6.299 8.830 -6.874 158 HG22 ILE 23 2HG2 ILE 23 -7.023 7.841 -5.592 159 HG23 ILE 23 3HG2 ILE 23 -7.697 9.441 -6.007 160 HD11 ILE 23 1HD1 ILE 23 -7.837 9.186 -2.055 161 HD12 ILE 23 2HD1 ILE 23 -8.248 8.551 -3.655 162 HD13 ILE 23 3HD1 ILE 23 -6.803 7.964 -2.811 163 H LEU 24 H LEU 24 -5.288 6.473 -5.527 164 HA LEU 24 HA LEU 24 -3.056 6.192 -7.449 165 HB2 LEU 24 2HB LEU 24 -5.262 4.334 -6.425 166 HB3 LEU 24 3HB LEU 24 -3.909 3.829 -7.445 167 HG LEU 24 HG LEU 24 -3.491 5.066 -4.678 168 HD11 LEU 24 1HD1 LEU 24 -4.695 3.141 -4.260 169 HD12 LEU 24 2HD1 LEU 24 -3.897 2.207 -5.522 170 HD13 LEU 24 3HD1 LEU 24 -3.007 2.661 -4.037 171 HD21 LEU 24 1HD2 LEU 24 -1.278 3.866 -5.015 172 HD22 LEU 24 2HD2 LEU 24 -1.750 3.661 -6.719 173 HD23 LEU 24 3HD2 LEU 24 -1.569 5.289 -6.045 174 H GLU 25 H GLU 25 -4.792 4.401 -9.116 175 HA GLU 25 HA GLU 25 -7.016 6.003 -9.958 176 HB2 GLU 25 2HB GLU 25 -6.425 6.636 -12.096 177 HB3 GLU 25 3HB GLU 25 -4.960 7.000 -11.189 178 HG2 GLU 25 2HG GLU 25 -4.039 4.764 -11.988 179 HG3 GLU 25 3HG GLU 25 -5.460 4.610 -13.019 180 H GLU 26 H GLU 26 -8.127 4.855 -11.875 181 HA GLU 26 HA GLU 26 -8.848 2.262 -11.111 182 HB2 GLU 26 2HB GLU 26 -10.219 3.820 -12.468 183 HB3 GLU 26 3HB GLU 26 -9.071 3.690 -13.791 184 HG2 GLU 26 2HG GLU 26 -10.647 2.219 -14.540 185 HG3 GLU 26 3HG GLU 26 -9.644 1.081 -13.654 186 H GLY 27 H GLY 27 -7.221 0.733 -10.940 187 HA2 GLY 27 2HA GLY 27 -6.179 -1.153 -11.869 188 HA3 GLY 27 3HA GLY 27 -6.448 -0.486 -13.487 189 H GLU 28 H GLU 28 -4.814 1.437 -10.976 190 HA GLU 28 HA GLU 28 -2.503 1.798 -12.581 191 HB2 GLU 28 2HB GLU 28 -3.652 3.136 -10.557 192 HB3 GLU 28 3HB GLU 28 -2.501 2.243 -9.594 193 HG2 GLU 28 2HG GLU 28 -0.652 3.193 -10.976 194 HG3 GLU 28 3HG GLU 28 -1.834 4.032 -11.985 195 H ASP 29 H ASP 29 -0.248 1.376 -11.677 196 HA ASP 29 HA ASP 29 0.207 -1.390 -11.039 197 HB2 ASP 29 2HB ASP 29 2.062 0.995 -10.811 198 HB3 ASP 29 3HB ASP 29 2.545 -0.700 -10.772 199 H VAL 30 H VAL 30 -0.764 -1.969 -9.124 200 HA VAL 30 HA VAL 30 0.208 -0.806 -6.600 201 HB VAL 30 HB VAL 30 -2.075 -0.973 -5.671 202 HG11 VAL 30 1HG1 VAL 30 -3.074 0.959 -7.074 203 HG12 VAL 30 2HG1 VAL 30 -1.530 1.221 -6.239 204 HG13 VAL 30 3HG1 VAL 30 -1.578 0.916 -7.984 205 HG21 VAL 30 1HG2 VAL 30 -2.990 -1.477 -8.523 206 HG22 VAL 30 2HG2 VAL 30 -3.062 -2.636 -7.181 207 HG23 VAL 30 3HG2 VAL 30 -4.030 -1.154 -7.139 208 H ARG 31 H ARG 31 -0.787 -2.468 -4.819 209 HA ARG 31 HA ARG 31 -0.391 -5.214 -5.694 210 HB2 ARG 31 2HB ARG 31 1.633 -3.459 -4.388 211 HB3 ARG 31 3HB ARG 31 1.420 -4.990 -3.548 212 HG2 ARG 31 2HG ARG 31 1.730 -5.153 -6.526 213 HG3 ARG 31 3HG ARG 31 3.147 -4.619 -5.624 214 HD2 ARG 31 2HD ARG 31 1.610 -7.121 -4.852 215 HD3 ARG 31 3HD ARG 31 2.915 -7.130 -6.058 216 HE ARG 31 HE ARG 31 3.975 -5.815 -3.868 217 HH11 ARG 31 1HH1 ARG 31 5.351 -8.603 -2.210 218 HH12 ARG 31 2HH1 ARG 31 5.448 -6.895 -2.434 219 HH21 ARG 31 1HH2 ARG 31 3.746 -9.860 -3.421 220 HH22 ARG 31 2HH2 ARG 31 2.687 -9.033 -4.508 221 H ARG 32 H ARG 32 -0.508 -6.613 -3.555 222 HA ARG 32 HA ARG 32 -2.503 -5.390 -1.740 223 HB2 ARG 32 2HB ARG 32 -3.727 -6.737 -3.355 224 HB3 ARG 32 3HB ARG 32 -2.551 -8.050 -3.239 225 HG2 ARG 32 2HG ARG 32 -4.573 -8.680 -2.049 226 HG3 ARG 32 3HG ARG 32 -3.248 -8.511 -0.912 227 HD2 ARG 32 2HD ARG 32 -4.882 -7.353 0.217 228 HD3 ARG 32 3HD ARG 32 -4.144 -6.031 -0.659 229 HE ARG 32 HE ARG 32 -6.373 -7.399 -2.019 230 HH11 ARG 32 1HH1 ARG 32 -8.600 -4.711 -1.501 231 HH12 ARG 32 2HH1 ARG 32 -8.416 -6.264 -2.232 232 HH21 ARG 32 1HH2 ARG 32 -6.919 -3.899 -0.024 233 HH22 ARG 32 2HH2 ARG 32 -5.346 -4.601 -0.163 234 H LEU 33 H LEU 33 -2.437 -6.195 0.410 235 HA LEU 33 HA LEU 33 -0.325 -8.076 1.136 236 HB2 LEU 33 2HB LEU 33 -0.320 -6.321 3.239 237 HB3 LEU 33 3HB LEU 33 0.872 -6.290 1.950 238 HG LEU 33 HG LEU 33 -1.683 -4.682 1.683 239 HD11 LEU 33 1HD1 LEU 33 -0.726 -2.865 2.923 240 HD12 LEU 33 2HD1 LEU 33 -0.786 -4.267 3.983 241 HD13 LEU 33 3HD1 LEU 33 0.759 -3.783 3.268 242 HD21 LEU 33 1HD2 LEU 33 0.054 -4.739 -0.192 243 HD22 LEU 33 2HD2 LEU 33 -0.136 -3.131 0.510 244 HD23 LEU 33 3HD2 LEU 33 1.245 -4.159 0.972 245 HA PRO 34 HA PRO 34 -3.427 -9.948 3.389 246 HB2 PRO 34 2HB PRO 34 -2.381 -10.651 5.847 247 HB3 PRO 34 3HB PRO 34 -1.927 -11.404 4.289 248 HG2 PRO 34 2HG PRO 34 -0.460 -9.261 5.827 249 HG3 PRO 34 3HG PRO 34 0.203 -10.685 4.960 250 HD2 PRO 34 2HD PRO 34 0.131 -8.124 3.993 251 HD3 PRO 34 3HD PRO 34 0.159 -9.515 2.920 252 H CYS 35 H CYS 35 -2.199 -7.062 4.920 253 HA CYS 35 HA CYS 35 -4.318 -6.530 6.860 254 HB2 CYS 35 2HB CYS 35 -2.091 -5.440 6.774 255 HB3 CYS 35 3HB CYS 35 -2.533 -4.732 5.220 256 H MET 36 H MET 36 -4.693 -7.099 3.516 257 HA MET 36 HA MET 36 -6.205 -6.491 1.974 258 HB2 MET 36 2HB MET 36 -7.882 -5.873 4.434 259 HB3 MET 36 3HB MET 36 -8.511 -5.927 2.787 260 HG2 MET 36 2HG MET 36 -6.929 -8.266 3.880 261 HG3 MET 36 3HG MET 36 -8.616 -8.066 4.311 262 HE1 MET 36 1HE MET 36 -10.488 -7.569 2.387 263 HE2 MET 36 2HE MET 36 -10.644 -8.975 1.304 264 HE3 MET 36 3HE MET 36 -10.440 -9.218 3.053 265 H HIS 37 H HIS 37 -4.229 -4.522 2.992 266 HA HIS 37 HA HIS 37 -5.551 -1.975 2.322 267 HB2 HIS 37 1HB HIS 37 -3.219 -2.768 3.920 268 HB3 HIS 37 2HB HIS 37 -2.740 -1.634 2.669 269 HD2 HIS 37 2HD HIS 37 -5.210 0.275 2.551 270 HE1 HIS 37 1HE HIS 37 -4.776 0.936 6.718 271 HE2 HIS 37 2HE HIS 37 -5.836 1.799 4.565 272 H LEU 38 H LEU 38 -4.814 -0.753 0.402 273 HA LEU 38 HA LEU 38 -3.700 -2.484 -1.764 274 HB2 LEU 38 2HB LEU 38 -6.185 -0.910 -1.543 275 HB3 LEU 38 3HB LEU 38 -5.175 -0.249 -2.809 276 HG LEU 38 HG LEU 38 -5.910 -3.189 -2.677 277 HD11 LEU 38 1HD1 LEU 38 -7.149 -0.935 -4.324 278 HD12 LEU 38 2HD1 LEU 38 -7.561 -2.654 -4.436 279 HD13 LEU 38 3HD1 LEU 38 -7.929 -1.748 -2.954 280 HD21 LEU 38 1HD2 LEU 38 -5.201 -3.180 -5.037 281 HD22 LEU 38 2HD2 LEU 38 -4.819 -1.451 -4.932 282 HD23 LEU 38 3HD2 LEU 38 -3.863 -2.632 -4.013 283 H PHE 39 H PHE 39 -1.638 -1.736 -2.208 284 HA PHE 39 HA PHE 39 -1.095 1.167 -1.714 285 HB2 PHE 39 2HB PHE 39 0.570 -1.269 -0.980 286 HB3 PHE 39 3HB PHE 39 1.190 0.365 -0.972 287 HD1 PHE 39 1HD PHE 39 1.543 -1.266 1.356 288 HD2 PHE 39 2HD PHE 39 -1.833 1.216 0.350 289 HE1 PHE 39 1HE PHE 39 0.992 -1.042 3.741 290 HE2 PHE 39 2HE PHE 39 -2.452 1.325 2.713 291 HZ PHE 39 HZ PHE 39 -1.031 0.226 4.441 292 H HIS 40 H HIS 40 0.431 2.085 -3.104 293 HA HIS 40 HA HIS 40 0.683 1.359 -5.817 294 HB2 HIS 40 1HB HIS 40 2.076 3.058 -3.808 295 HB3 HIS 40 2HB HIS 40 3.166 2.487 -5.050 296 HD2 HIS 40 2HD HIS 40 1.058 2.866 -7.581 297 HE1 HIS 40 1HE HIS 40 1.516 6.962 -6.512 298 HE2 HIS 40 2HE HIS 40 0.690 5.302 -8.299 299 H GLN 41 H GLN 41 2.177 0.120 -7.006 300 HA GLN 41 HA GLN 41 3.450 -2.071 -5.712 301 HB2 GLN 41 2HB GLN 41 2.670 -2.052 -8.047 302 HB3 GLN 41 3HB GLN 41 3.926 -0.886 -8.482 303 HG2 GLN 41 2HG GLN 41 5.516 -2.510 -8.620 304 HG3 GLN 41 3HG GLN 41 5.050 -3.214 -7.071 305 HE21 GLN 41 1HE2 GLN 41 3.655 -2.987 -10.462 306 HE22 GLN 41 2HE2 GLN 41 3.124 -4.655 -10.423 307 H VAL 42 H VAL 42 4.808 0.983 -7.088 308 HA VAL 42 HA VAL 42 7.492 0.434 -6.331 309 HB VAL 42 HB VAL 42 6.060 3.084 -6.804 310 HG11 VAL 42 1HG1 VAL 42 8.351 3.973 -7.279 311 HG12 VAL 42 2HG1 VAL 42 8.148 3.524 -5.582 312 HG13 VAL 42 3HG1 VAL 42 9.046 2.451 -6.678 313 HG21 VAL 42 1HG2 VAL 42 7.774 1.320 -8.614 314 HG22 VAL 42 2HG2 VAL 42 6.020 1.559 -8.760 315 HG23 VAL 42 3HG2 VAL 42 7.118 2.912 -9.048 316 H CYS 43 H CYS 43 5.136 2.630 -4.673 317 HA CYS 43 HA CYS 43 6.721 3.216 -2.412 318 HB2 CYS 43 2HB CYS 43 3.719 2.855 -2.460 319 HB3 CYS 43 3HB CYS 43 4.671 3.826 -1.345 320 H VAL 44 H VAL 44 4.480 0.358 -2.882 321 HA VAL 44 HA VAL 44 5.030 -0.475 -0.217 322 HB VAL 44 HB VAL 44 2.936 -0.982 -1.594 323 HG11 VAL 44 1HG1 VAL 44 2.895 -3.172 -2.627 324 HG12 VAL 44 2HG1 VAL 44 4.098 -2.177 -3.481 325 HG13 VAL 44 3HG1 VAL 44 4.628 -3.414 -2.328 326 HG21 VAL 44 1HG2 VAL 44 4.289 -3.188 -0.020 327 HG22 VAL 44 2HG2 VAL 44 3.542 -1.753 0.698 328 HG23 VAL 44 3HG2 VAL 44 2.546 -2.908 -0.230 329 H ASP 45 H ASP 45 6.691 -0.955 -3.265 330 HA ASP 45 HA ASP 45 8.210 -3.250 -2.471 331 HB2 ASP 45 2HB ASP 45 8.208 -2.224 -4.785 332 HB3 ASP 45 3HB ASP 45 9.231 -0.922 -4.151 333 H GLN 46 H GLN 46 8.903 0.283 -2.182 334 HA GLN 46 HA GLN 46 11.122 -0.191 -0.412 335 HB2 GLN 46 2HB GLN 46 9.445 2.320 -0.867 336 HB3 GLN 46 3HB GLN 46 10.902 2.261 0.144 337 HG2 GLN 46 2HG GLN 46 12.197 1.411 -1.838 338 HG3 GLN 46 3HG GLN 46 10.760 1.655 -2.841 339 HE21 GLN 46 1HE2 GLN 46 13.278 3.326 -0.893 340 HE22 GLN 46 2HE2 GLN 46 12.963 4.894 -1.621 341 H ALA 47 H ALA 47 7.679 0.022 0.258 342 HA ALA 47 HA ALA 47 7.955 0.405 3.085 343 HB1 ALA 47 1HB ALA 47 5.841 0.601 1.758 344 HB2 ALA 47 2HB ALA 47 5.824 -1.176 1.607 345 HB3 ALA 47 3HB ALA 47 5.682 -0.423 3.209 346 H LEU 48 H LEU 48 7.500 -2.569 1.171 347 HA LEU 48 HA LEU 48 7.734 -4.539 3.103 348 HB2 LEU 48 2HB LEU 48 6.985 -4.840 0.754 349 HB3 LEU 48 3HB LEU 48 8.603 -4.480 0.183 350 HG LEU 48 HG LEU 48 9.153 -6.591 1.861 351 HD11 LEU 48 1HD1 LEU 48 6.739 -6.952 2.330 352 HD12 LEU 48 2HD1 LEU 48 6.437 -7.158 0.591 353 HD13 LEU 48 3HD1 LEU 48 7.454 -8.323 1.464 354 HD21 LEU 48 1HD2 LEU 48 8.344 -6.707 -1.063 355 HD22 LEU 48 2HD2 LEU 48 9.954 -6.330 -0.420 356 HD23 LEU 48 3HD2 LEU 48 9.272 -7.949 -0.184 357 H ILE 49 H ILE 49 10.391 -3.211 1.002 358 HA ILE 49 HA ILE 49 12.375 -4.778 2.316 359 HB ILE 49 HB ILE 49 14.012 -3.520 1.176 360 HG12 ILE 49 2HG1 ILE 49 12.959 -1.548 -0.356 361 HG13 ILE 49 3HG1 ILE 49 12.052 -1.348 1.154 362 HG21 ILE 49 1HG2 ILE 49 12.586 -5.116 -0.108 363 HG22 ILE 49 2HG2 ILE 49 11.649 -3.737 -0.707 364 HG23 ILE 49 3HG2 ILE 49 13.364 -3.863 -1.093 365 HD11 ILE 49 1HD1 ILE 49 14.191 -1.247 2.418 366 HD12 ILE 49 2HD1 ILE 49 15.080 -1.424 0.890 367 HD13 ILE 49 3HD1 ILE 49 14.085 0.019 1.180 368 H THR 50 H THR 50 11.025 -1.556 3.081 369 HA THR 50 HA THR 50 13.003 -0.879 5.007 370 HB THR 50 HB THR 50 10.146 0.005 4.513 371 HG1 THR 50 1HG THR 50 11.584 0.868 3.164 372 HG21 THR 50 1HG2 THR 50 10.331 0.258 6.914 373 HG22 THR 50 2HG2 THR 50 11.956 0.977 6.751 374 HG23 THR 50 3HG2 THR 50 10.522 1.834 6.143 375 H ASN 51 H ASN 51 9.869 -2.643 5.270 376 HA ASN 51 HA ASN 51 10.747 -4.314 7.376 377 HB2 ASN 51 2HB ASN 51 9.795 -1.716 8.240 378 HB3 ASN 51 3HB ASN 51 8.526 -2.861 8.585 379 HD21 ASN 51 1HD2 ASN 51 12.040 -2.297 9.027 380 HD22 ASN 51 2HD2 ASN 51 12.150 -3.145 10.558 381 H LYS 52 H LYS 52 9.368 -6.169 7.088 382 HA LYS 52 HA LYS 52 7.151 -5.812 5.177 383 HB2 LYS 52 2HB LYS 52 8.123 -8.339 6.593 384 HB3 LYS 52 3HB LYS 52 6.931 -8.220 5.292 385 HG2 LYS 52 2HG LYS 52 8.665 -8.714 3.979 386 HG3 LYS 52 3HG LYS 52 8.913 -6.981 4.026 387 HD2 LYS 52 2HD LYS 52 10.694 -7.178 5.616 388 HD3 LYS 52 3HD LYS 52 10.285 -8.872 5.988 389 HE2 LYS 52 2HE LYS 52 11.282 -9.704 4.126 390 HE3 LYS 52 3HE LYS 52 10.758 -8.351 3.115 391 HZ1 LYS 52 1HZ LYS 52 13.133 -8.371 3.376 392 HZ2 LYS 52 2HZ LYS 52 12.498 -7.010 4.055 393 HZ3 LYS 52 3HZ LYS 52 13.010 -8.255 5.012 394 H LYS 53 H LYS 53 6.139 -4.297 7.004 395 HA LYS 53 HA LYS 53 3.986 -5.966 8.010 396 HB2 LYS 53 2HB LYS 53 4.073 -5.031 10.309 397 HB3 LYS 53 3HB LYS 53 5.465 -6.047 9.922 398 HG2 LYS 53 2HG LYS 53 6.715 -3.870 9.338 399 HG3 LYS 53 3HG LYS 53 5.374 -3.010 10.115 400 HD2 LYS 53 2HD LYS 53 5.832 -4.370 12.202 401 HD3 LYS 53 3HD LYS 53 7.211 -5.107 11.347 402 HE2 LYS 53 2HE LYS 53 7.959 -2.660 10.891 403 HE3 LYS 53 3HE LYS 53 6.831 -2.204 12.178 404 HZ1 LYS 53 1HZ LYS 53 9.132 -4.032 12.347 405 HZ2 LYS 53 2HZ LYS 53 9.049 -2.550 13.026 406 HZ3 LYS 53 3HZ LYS 53 8.098 -3.776 13.614 407 H CYS 54 H CYS 54 2.078 -4.853 7.873 408 HA CYS 54 HA CYS 54 1.885 -2.569 6.206 409 HB2 CYS 54 2HB CYS 54 0.113 -4.362 6.964 410 HB3 CYS 54 3HB CYS 54 -0.154 -3.238 8.304 411 HA PRO 55 HA PRO 55 3.523 0.261 9.245 412 HB2 PRO 55 2HB PRO 55 3.012 2.670 8.003 413 HB3 PRO 55 3HB PRO 55 4.315 1.548 7.501 414 HG2 PRO 55 2HG PRO 55 1.541 1.828 6.318 415 HG3 PRO 55 3HG PRO 55 3.110 1.726 5.456 416 HD2 PRO 55 2HD PRO 55 1.491 -0.436 5.794 417 HD3 PRO 55 3HD PRO 55 3.278 -0.603 5.857 418 H ILE 56 H ILE 56 0.273 0.538 7.874 419 HA ILE 56 HA ILE 56 -0.720 1.264 10.551 420 HB ILE 56 HB ILE 56 -0.808 3.180 9.088 421 HG12 ILE 56 2HG1 ILE 56 -3.705 2.508 9.339 422 HG13 ILE 56 3HG1 ILE 56 -2.725 2.330 10.802 423 HG21 ILE 56 1HG2 ILE 56 -2.272 3.352 7.158 424 HG22 ILE 56 2HG2 ILE 56 -1.069 2.084 6.883 425 HG23 ILE 56 3HG2 ILE 56 -2.735 1.652 7.312 426 HD11 ILE 56 1HD1 ILE 56 -1.893 4.625 10.601 427 HD12 ILE 56 2HD1 ILE 56 -2.805 4.851 9.090 428 HD13 ILE 56 3HD1 ILE 56 -3.665 4.612 10.628 429 H CYS 57 H CYS 57 -1.573 -0.356 11.315 430 HA CYS 57 HA CYS 57 -3.495 -1.938 11.454 431 HB2 CYS 57 2HB CYS 57 -2.041 -3.378 9.249 432 HB3 CYS 57 3HB CYS 57 -3.385 -3.960 10.222 433 H ARG 58 H ARG 58 0.034 -2.252 10.858 434 HA ARG 58 HA ARG 58 1.647 -3.497 11.844 435 HB2 ARG 58 2HB ARG 58 -0.185 -3.114 14.228 436 HB3 ARG 58 3HB ARG 58 1.235 -4.133 14.360 437 HG2 ARG 58 2HG ARG 58 1.481 -1.299 13.324 438 HG3 ARG 58 3HG ARG 58 1.445 -1.677 15.056 439 HD2 ARG 58 2HD ARG 58 3.313 -3.295 14.744 440 HD3 ARG 58 3HD ARG 58 3.456 -2.804 13.054 441 HE ARG 58 HE ARG 58 4.326 -1.404 15.447 442 HH11 ARG 58 1HH1 ARG 58 5.466 1.441 13.717 443 HH12 ARG 58 2HH1 ARG 58 5.478 0.593 15.217 444 HH21 ARG 58 1HH2 ARG 58 4.152 0.611 11.902 445 HH22 ARG 58 2HH2 ARG 58 3.348 -0.895 12.079 446 H VAL 59 H VAL 59 0.920 -5.077 10.164 447 HA VAL 59 HA VAL 59 0.652 -7.676 11.516 448 HB VAL 59 HB VAL 59 -0.755 -7.515 8.885 449 HG11 VAL 59 1HG1 VAL 59 -1.492 -8.743 11.582 450 HG12 VAL 59 2HG1 VAL 59 -2.280 -9.078 10.024 451 HG13 VAL 59 3HG1 VAL 59 -0.596 -9.568 10.280 452 HG21 VAL 59 1HG2 VAL 59 -2.901 -6.746 9.792 453 HG22 VAL 59 2HG2 VAL 59 -2.102 -6.262 11.305 454 HG23 VAL 59 3HG2 VAL 59 -1.678 -5.481 9.757 455 H ASP 60 H ASP 60 2.010 -9.212 10.503 456 HA ASP 60 HA ASP 60 4.056 -8.121 8.804 457 HB2 ASP 60 2HB ASP 60 4.336 -9.988 10.443 458 HB3 ASP 60 3HB ASP 60 3.389 -11.027 9.370 459 H ILE 61 H ILE 61 4.339 -8.457 6.576 460 HA ILE 61 HA ILE 61 1.983 -9.519 5.105 461 HB ILE 61 HB ILE 61 2.307 -7.857 3.460 462 HG12 ILE 61 2HG1 ILE 61 4.743 -6.922 5.027 463 HG13 ILE 61 3HG1 ILE 61 4.772 -7.754 3.461 464 HG21 ILE 61 1HG2 ILE 61 2.596 -6.319 6.052 465 HG22 ILE 61 2HG2 ILE 61 1.579 -5.933 4.641 466 HG23 ILE 61 3HG2 ILE 61 1.139 -7.275 5.709 467 HD11 ILE 61 1HD1 ILE 61 3.342 -5.964 2.537 468 HD12 ILE 61 2HD1 ILE 61 3.599 -5.049 4.053 469 HD13 ILE 61 3HD1 ILE 61 4.993 -5.450 3.021 470 H GLU 62 H GLU 62 5.306 -9.876 5.613 471 HA GLU 62 HA GLU 62 6.317 -10.743 3.117 472 HB2 GLU 62 2HB GLU 62 7.331 -10.409 5.614 473 HB3 GLU 62 3HB GLU 62 7.170 -12.139 5.668 474 HG2 GLU 62 2HG GLU 62 8.508 -10.822 3.277 475 HG3 GLU 62 3HG GLU 62 9.359 -10.901 4.818 476 H ALA 63 H ALA 63 5.001 -12.729 5.835 477 HA ALA 63 HA ALA 63 3.350 -14.214 3.991 478 HB1 ALA 63 1HB ALA 63 5.794 -15.581 5.198 479 HB2 ALA 63 2HB ALA 63 4.416 -16.454 4.471 480 HB3 ALA 63 3HB ALA 63 5.428 -15.382 3.479 481 H GLN 64 H GLN 64 1.786 -15.454 5.100 482 HA GLN 64 HA GLN 64 1.316 -14.666 7.851 483 HB2 GLN 64 2HB GLN 64 -0.460 -14.991 6.080 484 HB3 GLN 64 3HB GLN 64 -0.114 -16.716 6.095 485 HG2 GLN 64 2HG GLN 64 -1.991 -16.491 7.488 486 HG3 GLN 64 3HG GLN 64 -0.666 -16.635 8.640 487 HE21 GLN 64 1HE2 GLN 64 -0.384 -14.885 10.155 488 HE22 GLN 64 2HE2 GLN 64 -1.323 -13.408 9.998 489 H LEU 65 H LEU 65 3.267 -15.568 8.903 490 HA LEU 65 HA LEU 65 3.251 -18.540 9.108 491 HB2 LEU 65 2HB LEU 65 5.356 -16.452 9.427 492 HB3 LEU 65 3HB LEU 65 5.389 -17.779 10.590 493 HG LEU 65 HG LEU 65 5.289 -19.429 8.711 494 HD11 LEU 65 1HD1 LEU 65 5.912 -18.637 6.439 495 HD12 LEU 65 2HD1 LEU 65 4.340 -17.997 6.939 496 HD13 LEU 65 3HD1 LEU 65 5.782 -16.956 7.007 497 HD21 LEU 65 1HD2 LEU 65 7.659 -19.150 8.076 498 HD22 LEU 65 2HD2 LEU 65 7.631 -17.481 8.694 499 HD23 LEU 65 3HD2 LEU 65 7.411 -18.850 9.804 500 HA PRO 66 HA PRO 66 1.266 -17.779 13.076 501 HB2 PRO 66 2HB PRO 66 0.649 -20.344 13.736 502 HB3 PRO 66 3HB PRO 66 -0.200 -19.472 12.426 503 HG2 PRO 66 2HG PRO 66 2.096 -21.438 12.156 504 HG3 PRO 66 3HG PRO 66 0.559 -21.395 11.238 505 HD2 PRO 66 2HD PRO 66 2.904 -20.294 10.311 506 HD3 PRO 66 3HD PRO 66 1.298 -19.608 9.906 507 H SER 67 H SER 67 3.312 -16.990 13.859 508 HA SER 67 HA SER 67 4.964 -16.914 15.414 509 HB2 SER 67 2HB SER 67 4.147 -19.731 16.246 510 HB3 SER 67 3HB SER 67 5.185 -18.623 17.145 511 HG SER 67 HG SER 67 2.954 -18.630 17.795 512 H GLU 68 H GLU 68 6.935 -18.603 16.196 513 HA GLU 68 HA GLU 68 8.962 -19.252 15.549 514 HB2 GLU 68 2HB GLU 68 7.262 -21.237 15.431 515 HB3 GLU 68 3HB GLU 68 7.655 -21.264 13.714 516 HG2 GLU 68 2HG GLU 68 9.976 -21.736 14.184 517 HG3 GLU 68 3HG GLU 68 9.815 -21.223 15.868 518 H SER 69 H SER 69 8.870 -16.985 14.478 519 HA SER 69 HA SER 69 10.176 -17.168 11.915 520 HB2 SER 69 2HB SER 69 7.705 -16.946 11.358 521 HB3 SER 69 3HB SER 69 7.695 -15.431 12.289 522 HG SER 69 HG SER 69 9.513 -14.823 10.882 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -26.528 40.570 -16.925 2 H2 MET 1 H2 MET 1 -27.139 39.820 -18.270 3 H3 MET 1 H3 MET 1 -28.033 39.946 -16.877 4 HA MET 1 HA MET 1 -27.206 37.722 -17.081 5 HB2 MET 1 2HB MET 1 -24.630 39.238 -17.457 6 HB3 MET 1 3HB MET 1 -24.566 37.672 -16.631 7 HG2 MET 1 2HG MET 1 -25.664 36.552 -18.455 8 HG3 MET 1 3HG MET 1 -25.936 38.075 -19.311 9 HE1 MET 1 1HE MET 1 -25.011 36.437 -21.285 10 HE2 MET 1 2HE MET 1 -23.311 35.928 -21.409 11 HE3 MET 1 3HE MET 1 -24.381 35.163 -20.213 12 H LYS 2 H LYS 2 -25.794 36.689 -15.066 13 HA LYS 2 HA LYS 2 -25.853 38.411 -12.738 14 HB2 LYS 2 2HB LYS 2 -27.259 36.944 -11.410 15 HB3 LYS 2 3HB LYS 2 -28.170 37.539 -12.787 16 HG2 LYS 2 2HG LYS 2 -26.925 35.013 -13.533 17 HG3 LYS 2 3HG LYS 2 -27.706 34.835 -11.959 18 HD2 LYS 2 2HD LYS 2 -29.810 35.838 -12.996 19 HD3 LYS 2 3HD LYS 2 -28.970 35.804 -14.554 20 HE2 LYS 2 2HE LYS 2 -30.345 33.832 -14.420 21 HE3 LYS 2 3HE LYS 2 -28.653 33.327 -14.294 22 HZ1 LYS 2 1HZ LYS 2 -30.077 32.234 -12.678 23 HZ2 LYS 2 2HZ LYS 2 -28.934 33.140 -11.925 24 HZ3 LYS 2 3HZ LYS 2 -30.492 33.677 -12.007 25 H GLN 3 H GLN 3 -25.080 36.658 -10.795 26 HA GLN 3 HA GLN 3 -22.620 35.523 -11.837 27 HB2 GLN 3 2HB GLN 3 -22.259 34.719 -9.582 28 HB3 GLN 3 3HB GLN 3 -22.791 36.388 -9.527 29 HG2 GLN 3 2HG GLN 3 -25.056 34.466 -9.349 30 HG3 GLN 3 3HG GLN 3 -23.856 34.237 -8.081 31 HE21 GLN 3 1HE2 GLN 3 -24.172 35.493 -6.265 32 HE22 GLN 3 2HE2 GLN 3 -25.030 37.024 -6.277 33 H ASP 4 H ASP 4 -22.212 33.091 -10.937 34 HA ASP 4 HA ASP 4 -24.458 31.327 -11.546 35 HB2 ASP 4 2HB ASP 4 -22.867 31.824 -13.616 36 HB3 ASP 4 3HB ASP 4 -21.746 30.751 -12.771 37 H GLY 5 H GLY 5 -23.475 28.931 -10.887 38 HA2 GLY 5 2HA GLY 5 -21.548 29.210 -8.648 39 HA3 GLY 5 3HA GLY 5 -23.205 28.704 -8.265 40 H GLU 6 H GLU 6 -20.130 27.541 -8.954 41 HA GLU 6 HA GLU 6 -21.037 24.841 -9.467 42 HB2 GLU 6 2HB GLU 6 -20.651 26.485 -11.700 43 HB3 GLU 6 3HB GLU 6 -19.048 25.789 -11.491 44 HG2 GLU 6 2HG GLU 6 -21.671 24.234 -11.723 45 HG3 GLU 6 3HG GLU 6 -20.501 24.478 -13.029 46 H GLU 7 H GLU 7 -19.138 23.384 -9.023 47 HA GLU 7 HA GLU 7 -16.747 24.783 -7.909 48 HB2 GLU 7 2HB GLU 7 -18.601 24.050 -6.216 49 HB3 GLU 7 3HB GLU 7 -18.064 22.410 -6.561 50 HG2 GLU 7 2HG GLU 7 -16.958 23.138 -4.572 51 HG3 GLU 7 3HG GLU 7 -15.724 23.118 -5.820 52 H GLY 8 H GLY 8 -17.629 22.906 -10.418 53 HA2 GLY 8 2HA GLY 8 -16.212 21.750 -11.788 54 HA3 GLY 8 3HA GLY 8 -15.016 21.595 -10.482 55 H THR 9 H THR 9 -14.702 19.348 -10.319 56 HA THR 9 HA THR 9 -16.921 17.793 -9.367 57 HB THR 9 HB THR 9 -17.274 17.706 -11.830 58 HG1 THR 9 1HG THR 9 -17.378 15.388 -11.810 59 HG21 THR 9 1HG2 THR 9 -14.723 16.059 -11.837 60 HG22 THR 9 2HG2 THR 9 -15.747 16.480 -13.230 61 HG23 THR 9 3HG2 THR 9 -14.812 17.742 -12.397 62 H GLU 10 H GLU 10 -16.013 15.390 -9.055 63 HA GLU 10 HA GLU 10 -13.155 15.411 -8.421 64 HB2 GLU 10 2HB GLU 10 -14.495 16.534 -6.509 65 HB3 GLU 10 3HB GLU 10 -15.202 14.938 -6.214 66 HG2 GLU 10 2HG GLU 10 -12.941 14.013 -5.809 67 HG3 GLU 10 3HG GLU 10 -12.215 15.562 -6.260 68 H GLU 11 H GLU 11 -12.376 13.225 -8.435 69 HA GLU 11 HA GLU 11 -14.308 11.022 -8.534 70 HB2 GLU 11 2HB GLU 11 -12.496 11.905 -10.805 71 HB3 GLU 11 3HB GLU 11 -12.847 10.187 -10.544 72 HG2 GLU 11 2HG GLU 11 -15.257 10.596 -10.706 73 HG3 GLU 11 3HG GLU 11 -14.979 12.333 -10.903 74 H ASP 12 H ASP 12 -13.419 9.208 -7.775 75 HA ASP 12 HA ASP 12 -12.464 8.137 -6.122 76 HB2 ASP 12 2HB ASP 12 -11.141 7.408 -8.035 77 HB3 ASP 12 3HB ASP 12 -9.900 8.607 -7.631 78 H THR 13 H THR 13 -12.367 8.713 -4.102 79 HA THR 13 HA THR 13 -10.122 10.427 -3.195 80 HB THR 13 HB THR 13 -13.072 10.930 -2.646 81 HG1 THR 13 1HG THR 13 -11.423 11.802 -4.492 82 HG21 THR 13 1HG2 THR 13 -12.260 12.984 -1.433 83 HG22 THR 13 2HG2 THR 13 -12.010 11.473 -0.551 84 HG23 THR 13 3HG2 THR 13 -10.638 12.258 -1.391 85 H GLU 14 H GLU 14 -11.072 7.479 -3.233 86 HA GLU 14 HA GLU 14 -11.221 6.987 -0.304 87 HB2 GLU 14 2HB GLU 14 -13.138 6.407 -2.383 88 HB3 GLU 14 3HB GLU 14 -12.471 4.876 -1.804 89 HG2 GLU 14 2HG GLU 14 -12.955 5.517 0.529 90 HG3 GLU 14 3HG GLU 14 -13.576 7.082 -0.013 91 H GLU 15 H GLU 15 -10.231 5.598 -3.554 92 HA GLU 15 HA GLU 15 -8.575 3.660 -2.084 93 HB2 GLU 15 2HB GLU 15 -8.958 4.102 -5.072 94 HB3 GLU 15 3HB GLU 15 -7.977 2.843 -4.303 95 HG2 GLU 15 2HG GLU 15 -10.256 2.404 -2.949 96 HG3 GLU 15 3HG GLU 15 -10.971 3.133 -4.386 97 H LYS 16 H LYS 16 -7.095 4.899 -0.986 98 HA LYS 16 HA LYS 16 -5.132 6.333 -2.716 99 HB2 LYS 16 2HB LYS 16 -4.830 7.964 -0.823 100 HB3 LYS 16 3HB LYS 16 -6.366 8.069 -1.703 101 HG2 LYS 16 2HG LYS 16 -7.587 7.015 -0.007 102 HG3 LYS 16 3HG LYS 16 -6.115 6.527 0.854 103 HD2 LYS 16 2HD LYS 16 -7.147 8.384 2.023 104 HD3 LYS 16 3HD LYS 16 -5.618 8.923 1.314 105 HE2 LYS 16 2HE LYS 16 -6.646 10.498 0.098 106 HE3 LYS 16 3HE LYS 16 -7.715 9.294 -0.641 107 HZ1 LYS 16 1HZ LYS 16 -8.944 10.999 0.503 108 HZ2 LYS 16 2HZ LYS 16 -9.241 9.538 1.134 109 HZ3 LYS 16 3HZ LYS 16 -8.247 10.599 1.945 110 H CYS 17 H CYS 17 -3.100 5.966 -2.435 111 HA CYS 17 HA CYS 17 -1.952 3.734 -0.953 112 HB2 CYS 17 2HB CYS 17 -1.101 4.781 -3.078 113 HB3 CYS 17 3HB CYS 17 -0.769 6.245 -2.189 114 H THR 18 H THR 18 -1.815 3.759 1.227 115 HA THR 18 HA THR 18 -1.858 6.160 2.774 116 HB THR 18 HB THR 18 -2.659 3.858 3.407 117 HG1 THR 18 1HG THR 18 -1.935 4.193 5.620 118 HG21 THR 18 1HG2 THR 18 0.210 3.439 4.296 119 HG22 THR 18 2HG2 THR 18 -1.159 2.303 4.321 120 HG23 THR 18 3HG2 THR 18 -0.431 2.776 2.776 121 H ILE 19 H ILE 19 0.853 4.442 1.222 122 HA ILE 19 HA ILE 19 2.830 5.431 3.066 123 HB ILE 19 HB ILE 19 2.855 4.064 0.381 124 HG12 ILE 19 2HG1 ILE 19 4.018 3.046 2.987 125 HG13 ILE 19 3HG1 ILE 19 2.275 2.934 2.713 126 HG21 ILE 19 1HG2 ILE 19 5.171 5.082 2.061 127 HG22 ILE 19 2HG2 ILE 19 5.366 3.812 0.838 128 HG23 ILE 19 3HG2 ILE 19 4.824 5.425 0.349 129 HD11 ILE 19 1HD1 ILE 19 2.582 1.671 0.681 130 HD12 ILE 19 2HD1 ILE 19 4.342 1.841 0.775 131 HD13 ILE 19 3HD1 ILE 19 3.485 0.889 2.004 132 H CYS 20 H CYS 20 1.824 6.286 -0.294 133 HA CYS 20 HA CYS 20 3.534 8.736 -0.384 134 HB2 CYS 20 2HB CYS 20 1.225 7.980 -2.197 135 HB3 CYS 20 3HB CYS 20 2.518 9.148 -2.474 136 H LEU 21 H LEU 21 0.467 7.843 0.983 137 HA LEU 21 HA LEU 21 -1.468 8.876 1.390 138 HB2 LEU 21 2HB LEU 21 0.418 11.162 2.034 139 HB3 LEU 21 3HB LEU 21 -1.282 11.095 2.520 140 HG LEU 21 HG LEU 21 0.734 8.927 3.248 141 HD11 LEU 21 1HD1 LEU 21 1.501 11.017 4.167 142 HD12 LEU 21 2HD1 LEU 21 -0.102 11.322 4.891 143 HD13 LEU 21 3HD1 LEU 21 0.895 9.946 5.441 144 HD21 LEU 21 1HD2 LEU 21 -1.683 8.284 3.398 145 HD22 LEU 21 2HD2 LEU 21 -0.917 8.348 4.979 146 HD23 LEU 21 3HD2 LEU 21 -1.975 9.681 4.456 147 H SER 22 H SER 22 -1.557 8.533 -1.084 148 HA SER 22 HA SER 22 -2.630 11.041 -2.203 149 HB2 SER 22 2HB SER 22 -0.432 9.406 -3.546 150 HB3 SER 22 3HB SER 22 -1.402 10.650 -4.354 151 HG SER 22 HG SER 22 -0.053 11.314 -1.962 152 H ILE 23 H ILE 23 -4.356 10.596 -3.706 153 HA ILE 23 HA ILE 23 -5.654 8.134 -3.635 154 HB ILE 23 HB ILE 23 -5.715 10.676 -5.329 155 HG12 ILE 23 2HG1 ILE 23 -7.780 11.123 -4.176 156 HG13 ILE 23 3HG1 ILE 23 -7.722 9.552 -3.352 157 HG21 ILE 23 1HG2 ILE 23 -6.593 9.014 -6.811 158 HG22 ILE 23 2HG2 ILE 23 -7.576 8.275 -5.535 159 HG23 ILE 23 3HG2 ILE 23 -7.950 9.901 -6.160 160 HD11 ILE 23 1HD1 ILE 23 -5.888 10.279 -1.987 161 HD12 ILE 23 2HD1 ILE 23 -5.741 11.804 -2.915 162 HD13 ILE 23 3HD1 ILE 23 -7.171 11.496 -1.912 163 H LEU 24 H LEU 24 -5.972 6.754 -5.397 164 HA LEU 24 HA LEU 24 -3.590 6.270 -7.090 165 HB2 LEU 24 2HB LEU 24 -6.001 4.564 -6.311 166 HB3 LEU 24 3HB LEU 24 -4.583 3.961 -7.180 167 HG LEU 24 HG LEU 24 -4.348 5.198 -4.401 168 HD11 LEU 24 1HD1 LEU 24 -4.278 2.938 -3.551 169 HD12 LEU 24 2HD1 LEU 24 -5.834 3.320 -4.312 170 HD13 LEU 24 3HD1 LEU 24 -4.665 2.309 -5.187 171 HD21 LEU 24 1HD2 LEU 24 -2.553 3.647 -6.262 172 HD22 LEU 24 2HD2 LEU 24 -2.271 5.200 -5.445 173 HD23 LEU 24 3HD2 LEU 24 -2.284 3.664 -4.510 174 H GLU 25 H GLU 25 -5.213 4.580 -8.932 175 HA GLU 25 HA GLU 25 -7.508 6.032 -9.726 176 HB2 GLU 25 2HB GLU 25 -6.980 6.452 -12.039 177 HB3 GLU 25 3HB GLU 25 -5.839 7.320 -11.003 178 HG2 GLU 25 2HG GLU 25 -4.099 5.689 -11.438 179 HG3 GLU 25 3HG GLU 25 -5.219 4.663 -12.356 180 H GLU 26 H GLU 26 -8.475 4.789 -11.798 181 HA GLU 26 HA GLU 26 -8.694 2.057 -10.976 182 HB2 GLU 26 2HB GLU 26 -10.575 3.167 -11.970 183 HB3 GLU 26 3HB GLU 26 -9.684 3.521 -13.458 184 HG2 GLU 26 2HG GLU 26 -9.800 1.327 -14.226 185 HG3 GLU 26 3HG GLU 26 -9.833 0.643 -12.601 186 H GLY 27 H GLY 27 -7.025 0.698 -11.168 187 HA2 GLY 27 2HA GLY 27 -5.848 -0.892 -12.427 188 HA3 GLY 27 3HA GLY 27 -6.103 0.069 -13.891 189 H GLU 28 H GLU 28 -4.865 1.845 -11.104 190 HA GLU 28 HA GLU 28 -2.362 2.344 -12.404 191 HB2 GLU 28 2HB GLU 28 -3.769 3.629 -10.515 192 HB3 GLU 28 3HB GLU 28 -2.759 2.678 -9.438 193 HG2 GLU 28 2HG GLU 28 -0.745 3.639 -10.740 194 HG3 GLU 28 3HG GLU 28 -1.890 4.691 -11.570 195 H ASP 29 H ASP 29 -0.263 1.828 -11.327 196 HA ASP 29 HA ASP 29 0.142 -0.928 -10.780 197 HB2 ASP 29 2HB ASP 29 1.909 1.423 -10.024 198 HB3 ASP 29 3HB ASP 29 2.409 -0.260 -10.181 199 H VAL 30 H VAL 30 -0.864 -1.861 -8.973 200 HA VAL 30 HA VAL 30 -0.382 -0.619 -6.359 201 HB VAL 30 HB VAL 30 -2.703 -1.057 -5.679 202 HG11 VAL 30 1HG1 VAL 30 -3.731 0.859 -6.807 203 HG12 VAL 30 2HG1 VAL 30 -2.033 1.195 -6.408 204 HG13 VAL 30 3HG1 VAL 30 -2.503 0.801 -8.073 205 HG21 VAL 30 1HG2 VAL 30 -3.271 -1.598 -8.618 206 HG22 VAL 30 2HG2 VAL 30 -3.335 -2.795 -7.308 207 HG23 VAL 30 3HG2 VAL 30 -4.471 -1.436 -7.328 208 H ARG 31 H ARG 31 -1.130 -2.239 -4.625 209 HA ARG 31 HA ARG 31 -0.423 -4.967 -5.394 210 HB2 ARG 31 2HB ARG 31 1.285 -2.956 -3.962 211 HB3 ARG 31 3HB ARG 31 1.218 -4.532 -3.186 212 HG2 ARG 31 2HG ARG 31 1.868 -4.327 -6.144 213 HG3 ARG 31 3HG ARG 31 3.097 -4.047 -4.909 214 HD2 ARG 31 2HD ARG 31 2.474 -6.263 -3.866 215 HD3 ARG 31 3HD ARG 31 1.496 -6.595 -5.319 216 HE ARG 31 HE ARG 31 3.898 -5.849 -6.345 217 HH11 ARG 31 1HH1 ARG 31 6.069 -8.540 -5.826 218 HH12 ARG 31 2HH1 ARG 31 5.790 -7.053 -6.663 219 HH21 ARG 31 1HH2 ARG 31 4.447 -9.273 -4.217 220 HH22 ARG 31 2HH2 ARG 31 3.032 -8.308 -3.971 221 H ARG 32 H ARG 32 -0.636 -6.385 -3.390 222 HA ARG 32 HA ARG 32 -2.624 -5.294 -1.480 223 HB2 ARG 32 2HB ARG 32 -3.833 -6.700 -3.079 224 HB3 ARG 32 3HB ARG 32 -2.570 -7.934 -3.028 225 HG2 ARG 32 2HG ARG 32 -4.497 -8.711 -1.771 226 HG3 ARG 32 3HG ARG 32 -3.142 -8.474 -0.684 227 HD2 ARG 32 2HD ARG 32 -4.877 -7.483 0.504 228 HD3 ARG 32 3HD ARG 32 -4.159 -6.089 -0.287 229 HE ARG 32 HE ARG 32 -6.294 -7.383 -1.804 230 HH11 ARG 32 1HH1 ARG 32 -8.580 -4.768 -1.231 231 HH12 ARG 32 2HH1 ARG 32 -8.293 -6.231 -2.096 232 HH21 ARG 32 1HH2 ARG 32 -7.020 -4.051 0.435 233 HH22 ARG 32 2HH2 ARG 32 -5.457 -4.789 0.430 234 H LEU 33 H LEU 33 -2.398 -6.049 0.644 235 HA LEU 33 HA LEU 33 -0.252 -7.914 1.253 236 HB2 LEU 33 2HB LEU 33 0.121 -6.299 3.269 237 HB3 LEU 33 3HB LEU 33 0.871 -5.891 1.735 238 HG LEU 33 HG LEU 33 -1.874 -4.768 2.236 239 HD11 LEU 33 1HD1 LEU 33 -0.878 -2.925 3.592 240 HD12 LEU 33 2HD1 LEU 33 -0.797 -4.482 4.434 241 HD13 LEU 33 3HD1 LEU 33 0.653 -3.810 3.658 242 HD21 LEU 33 1HD2 LEU 33 -0.913 -2.796 1.155 243 HD22 LEU 33 2HD2 LEU 33 0.703 -3.534 1.169 244 HD23 LEU 33 3HD2 LEU 33 -0.581 -4.210 0.156 245 HA PRO 34 HA PRO 34 -3.175 -10.084 3.187 246 HB2 PRO 34 2HB PRO 34 -2.038 -11.116 5.485 247 HB3 PRO 34 3HB PRO 34 -1.591 -11.603 3.822 248 HG2 PRO 34 2HG PRO 34 -0.180 -9.644 5.638 249 HG3 PRO 34 3HG PRO 34 0.524 -10.901 4.569 250 HD2 PRO 34 2HD PRO 34 0.348 -8.242 3.939 251 HD3 PRO 34 3HD PRO 34 0.349 -9.492 2.698 252 H CYS 35 H CYS 35 -1.871 -7.534 5.213 253 HA CYS 35 HA CYS 35 -4.216 -7.345 7.045 254 HB2 CYS 35 2HB CYS 35 -1.858 -6.723 7.608 255 HB3 CYS 35 3HB CYS 35 -1.982 -5.434 6.400 256 H MET 36 H MET 36 -4.848 -7.489 4.169 257 HA MET 36 HA MET 36 -6.435 -6.702 2.845 258 HB2 MET 36 2HB MET 36 -8.472 -6.095 3.940 259 HB3 MET 36 3HB MET 36 -7.646 -7.343 4.873 260 HG2 MET 36 2HG MET 36 -6.858 -5.635 6.482 261 HG3 MET 36 3HG MET 36 -7.591 -4.363 5.500 262 HE1 MET 36 1HE MET 36 -8.016 -6.842 8.381 263 HE2 MET 36 2HE MET 36 -9.732 -7.298 8.330 264 HE3 MET 36 3HE MET 36 -8.624 -7.876 7.065 265 H HIS 37 H HIS 37 -4.196 -4.800 3.198 266 HA HIS 37 HA HIS 37 -5.607 -2.238 2.674 267 HB2 HIS 37 1HB HIS 37 -3.087 -3.011 4.141 268 HB3 HIS 37 2HB HIS 37 -3.146 -1.446 3.338 269 HD2 HIS 37 2HD HIS 37 -5.798 -0.211 3.895 270 HE1 HIS 37 1HE HIS 37 -5.274 -1.000 8.042 271 HE2 HIS 37 2HE HIS 37 -6.562 0.384 6.319 272 H LEU 38 H LEU 38 -4.547 -0.809 0.980 273 HA LEU 38 HA LEU 38 -3.535 -2.504 -1.249 274 HB2 LEU 38 2HB LEU 38 -5.997 -2.147 -1.329 275 HB3 LEU 38 3HB LEU 38 -5.761 -0.408 -1.339 276 HG LEU 38 HG LEU 38 -4.378 -2.107 -3.433 277 HD11 LEU 38 1HD1 LEU 38 -7.303 -1.255 -3.522 278 HD12 LEU 38 2HD1 LEU 38 -6.392 -1.954 -4.868 279 HD13 LEU 38 3HD1 LEU 38 -6.703 -2.929 -3.422 280 HD21 LEU 38 1HD2 LEU 38 -5.660 0.664 -3.478 281 HD22 LEU 38 2HD2 LEU 38 -3.911 0.329 -3.455 282 HD23 LEU 38 3HD2 LEU 38 -4.882 -0.121 -4.859 283 H PHE 39 H PHE 39 -1.642 -1.677 -1.905 284 HA PHE 39 HA PHE 39 -1.039 1.211 -1.347 285 HB2 PHE 39 2HB PHE 39 0.691 -1.291 -1.138 286 HB3 PHE 39 3HB PHE 39 1.341 0.328 -1.075 287 HD1 PHE 39 1HD PHE 39 -1.670 0.675 0.784 288 HD2 PHE 39 2HD PHE 39 2.223 -1.113 0.990 289 HE1 PHE 39 1HE PHE 39 -1.899 0.480 3.201 290 HE2 PHE 39 2HE PHE 39 2.040 -1.230 3.455 291 HZ PHE 39 HZ PHE 39 -0.050 -0.448 4.574 292 H HIS 40 H HIS 40 0.939 1.911 -2.808 293 HA HIS 40 HA HIS 40 0.391 1.190 -5.626 294 HB2 HIS 40 1HB HIS 40 2.499 2.842 -4.249 295 HB3 HIS 40 2HB HIS 40 2.696 2.397 -5.924 296 HD2 HIS 40 2HD HIS 40 0.402 3.191 -7.570 297 HE1 HIS 40 1HE HIS 40 0.300 6.894 -5.469 298 HE2 HIS 40 2HE HIS 40 -0.453 5.650 -7.585 299 H GLN 41 H GLN 41 2.090 0.259 -6.948 300 HA GLN 41 HA GLN 41 3.566 -1.975 -5.988 301 HB2 GLN 41 2HB GLN 41 2.809 -1.379 -8.346 302 HB3 GLN 41 3HB GLN 41 4.152 -0.245 -8.429 303 HG2 GLN 41 2HG GLN 41 5.146 -2.082 -9.391 304 HG3 GLN 41 3HG GLN 41 5.571 -2.416 -7.710 305 HE21 GLN 41 1HE2 GLN 41 2.931 -2.994 -10.136 306 HE22 GLN 41 2HE2 GLN 41 2.525 -4.587 -9.525 307 H VAL 42 H VAL 42 4.951 1.178 -7.162 308 HA VAL 42 HA VAL 42 7.519 0.625 -6.210 309 HB VAL 42 HB VAL 42 6.163 3.294 -6.773 310 HG11 VAL 42 1HG1 VAL 42 9.125 2.653 -6.413 311 HG12 VAL 42 2HG1 VAL 42 8.492 4.164 -7.102 312 HG13 VAL 42 3HG1 VAL 42 8.152 3.756 -5.417 313 HG21 VAL 42 1HG2 VAL 42 7.356 3.105 -8.935 314 HG22 VAL 42 2HG2 VAL 42 8.022 1.535 -8.440 315 HG23 VAL 42 3HG2 VAL 42 6.278 1.725 -8.710 316 H CYS 43 H CYS 43 4.936 2.547 -4.563 317 HA CYS 43 HA CYS 43 6.446 3.248 -2.243 318 HB2 CYS 43 2HB CYS 43 3.507 2.529 -2.312 319 HB3 CYS 43 3HB CYS 43 4.367 3.519 -1.155 320 H VAL 44 H VAL 44 4.439 0.176 -2.837 321 HA VAL 44 HA VAL 44 5.157 -0.626 -0.215 322 HB VAL 44 HB VAL 44 3.051 -1.247 -1.438 323 HG11 VAL 44 1HG1 VAL 44 3.109 -3.396 -2.586 324 HG12 VAL 44 2HG1 VAL 44 4.071 -2.199 -3.483 325 HG13 VAL 44 3HG1 VAL 44 4.878 -3.439 -2.502 326 HG21 VAL 44 1HG2 VAL 44 2.812 -3.204 -0.141 327 HG22 VAL 44 2HG2 VAL 44 4.557 -3.574 -0.224 328 HG23 VAL 44 3HG2 VAL 44 4.005 -2.211 0.743 329 H ASP 45 H ASP 45 6.760 -0.936 -3.296 330 HA ASP 45 HA ASP 45 8.448 -3.166 -2.666 331 HB2 ASP 45 2HB ASP 45 8.565 -0.838 -4.549 332 HB3 ASP 45 3HB ASP 45 10.119 -1.516 -4.080 333 H GLN 46 H GLN 46 8.956 0.376 -2.194 334 HA GLN 46 HA GLN 46 11.253 -0.118 -0.502 335 HB2 GLN 46 2HB GLN 46 9.540 2.388 -0.839 336 HB3 GLN 46 3HB GLN 46 11.069 2.310 0.058 337 HG2 GLN 46 2HG GLN 46 12.203 1.488 -2.032 338 HG3 GLN 46 3HG GLN 46 10.696 1.763 -2.919 339 HE21 GLN 46 1HE2 GLN 46 13.661 3.216 -2.018 340 HE22 GLN 46 2HE2 GLN 46 13.159 4.871 -2.334 341 H ALA 47 H ALA 47 7.818 0.031 0.209 342 HA ALA 47 HA ALA 47 8.108 0.422 3.032 343 HB1 ALA 47 1HB ALA 47 5.837 -0.437 3.157 344 HB2 ALA 47 2HB ALA 47 5.994 0.587 1.706 345 HB3 ALA 47 3HB ALA 47 5.989 -1.188 1.554 346 H LEU 48 H LEU 48 7.532 -2.566 1.186 347 HA LEU 48 HA LEU 48 7.742 -4.403 3.253 348 HB2 LEU 48 2HB LEU 48 6.719 -4.652 0.992 349 HB3 LEU 48 3HB LEU 48 8.317 -4.796 0.272 350 HG LEU 48 HG LEU 48 7.477 -6.661 2.515 351 HD11 LEU 48 1HD1 LEU 48 5.602 -6.672 0.903 352 HD12 LEU 48 2HD1 LEU 48 6.739 -6.981 -0.425 353 HD13 LEU 48 3HD1 LEU 48 6.494 -8.197 0.852 354 HD21 LEU 48 1HD2 LEU 48 8.891 -8.275 1.253 355 HD22 LEU 48 2HD2 LEU 48 9.213 -7.036 0.025 356 HD23 LEU 48 3HD2 LEU 48 9.818 -6.827 1.680 357 H ILE 49 H ILE 49 10.328 -3.329 0.913 358 HA ILE 49 HA ILE 49 12.327 -4.967 2.150 359 HB ILE 49 HB ILE 49 13.953 -3.657 0.989 360 HG12 ILE 49 2HG1 ILE 49 12.734 -1.760 -0.548 361 HG13 ILE 49 3HG1 ILE 49 11.928 -1.577 1.025 362 HG21 ILE 49 1HG2 ILE 49 12.699 -5.344 -0.260 363 HG22 ILE 49 2HG2 ILE 49 11.520 -4.124 -0.765 364 HG23 ILE 49 3HG2 ILE 49 13.203 -4.001 -1.298 365 HD11 ILE 49 1HD1 ILE 49 13.877 -0.135 0.954 366 HD12 ILE 49 2HD1 ILE 49 14.157 -1.438 2.128 367 HD13 ILE 49 3HD1 ILE 49 14.919 -1.511 0.526 368 H THR 50 H THR 50 11.121 -1.657 2.973 369 HA THR 50 HA THR 50 13.197 -1.185 4.828 370 HB THR 50 HB THR 50 10.491 -0.008 4.268 371 HG1 THR 50 1HG THR 50 13.082 1.090 4.634 372 HG21 THR 50 1HG2 THR 50 10.783 1.663 6.068 373 HG22 THR 50 2HG2 THR 50 10.359 0.060 6.664 374 HG23 THR 50 3HG2 THR 50 12.042 0.636 6.798 375 H ASN 51 H ASN 51 10.007 -2.812 5.135 376 HA ASN 51 HA ASN 51 10.863 -4.376 7.342 377 HB2 ASN 51 2HB ASN 51 9.860 -1.785 8.080 378 HB3 ASN 51 3HB ASN 51 8.539 -2.904 8.363 379 HD21 ASN 51 1HD2 ASN 51 12.100 -2.631 8.903 380 HD22 ASN 51 2HD2 ASN 51 12.046 -3.344 10.513 381 H LYS 52 H LYS 52 9.586 -6.242 7.185 382 HA LYS 52 HA LYS 52 7.428 -6.202 5.186 383 HB2 LYS 52 2HB LYS 52 8.718 -8.431 6.798 384 HB3 LYS 52 3HB LYS 52 7.512 -8.659 5.516 385 HG2 LYS 52 2HG LYS 52 8.951 -7.952 3.814 386 HG3 LYS 52 3HG LYS 52 9.994 -7.029 4.904 387 HD2 LYS 52 2HD LYS 52 10.823 -9.129 5.906 388 HD3 LYS 52 3HD LYS 52 9.847 -10.015 4.717 389 HE2 LYS 52 2HE LYS 52 11.170 -8.212 3.102 390 HE3 LYS 52 3HE LYS 52 12.382 -8.462 4.367 391 HZ1 LYS 52 1HZ LYS 52 12.155 -10.873 3.932 392 HZ2 LYS 52 2HZ LYS 52 11.090 -10.629 2.821 393 HZ3 LYS 52 3HZ LYS 52 12.630 -10.071 2.543 394 H LYS 53 H LYS 53 6.294 -4.606 6.868 395 HA LYS 53 HA LYS 53 4.233 -6.281 8.089 396 HB2 LYS 53 2HB LYS 53 4.292 -4.908 10.215 397 HB3 LYS 53 3HB LYS 53 5.590 -6.088 10.041 398 HG2 LYS 53 2HG LYS 53 7.220 -4.521 9.953 399 HG3 LYS 53 3HG LYS 53 6.288 -3.420 8.936 400 HD2 LYS 53 2HD LYS 53 4.964 -2.693 10.884 401 HD3 LYS 53 3HD LYS 53 5.965 -3.732 11.936 402 HE2 LYS 53 2HE LYS 53 7.996 -2.526 11.194 403 HE3 LYS 53 3HE LYS 53 7.023 -1.541 10.090 404 HZ1 LYS 53 1HZ LYS 53 7.461 -0.332 12.074 405 HZ2 LYS 53 2HZ LYS 53 5.853 -0.681 12.041 406 HZ3 LYS 53 3HZ LYS 53 6.865 -1.527 13.032 407 H CYS 54 H CYS 54 2.269 -5.142 8.273 408 HA CYS 54 HA CYS 54 1.793 -2.963 6.374 409 HB2 CYS 54 2HB CYS 54 0.157 -4.726 7.153 410 HB3 CYS 54 3HB CYS 54 0.139 -3.914 8.718 411 HA PRO 55 HA PRO 55 3.198 0.026 9.527 412 HB2 PRO 55 2HB PRO 55 3.552 2.216 7.968 413 HB3 PRO 55 3HB PRO 55 4.586 0.770 7.782 414 HG2 PRO 55 2HG PRO 55 2.108 1.467 6.161 415 HG3 PRO 55 3HG PRO 55 3.746 1.061 5.548 416 HD2 PRO 55 2HD PRO 55 1.770 -0.816 5.795 417 HD3 PRO 55 3HD PRO 55 3.489 -1.212 6.093 418 H ILE 56 H ILE 56 0.729 -0.601 9.945 419 HA ILE 56 HA ILE 56 -0.708 1.810 10.613 420 HB ILE 56 HB ILE 56 -2.115 -0.240 8.791 421 HG12 ILE 56 2HG1 ILE 56 -2.725 2.052 7.590 422 HG13 ILE 56 3HG1 ILE 56 -1.202 2.578 8.292 423 HG21 ILE 56 1HG2 ILE 56 -3.566 0.464 10.645 424 HG22 ILE 56 2HG2 ILE 56 -3.222 2.169 10.284 425 HG23 ILE 56 3HG2 ILE 56 -4.123 1.161 9.129 426 HD11 ILE 56 1HD1 ILE 56 -0.351 0.239 7.210 427 HD12 ILE 56 2HD1 ILE 56 -1.783 0.471 6.205 428 HD13 ILE 56 3HD1 ILE 56 -0.492 1.705 6.250 429 H CYS 57 H CYS 57 -1.068 -1.628 9.945 430 HA CYS 57 HA CYS 57 -2.135 -2.448 12.582 431 HB2 CYS 57 2HB CYS 57 -1.244 -4.222 10.317 432 HB3 CYS 57 3HB CYS 57 -2.612 -4.389 11.417 433 H ARG 58 H ARG 58 -0.649 -4.895 12.625 434 HA ARG 58 HA ARG 58 2.192 -4.166 12.435 435 HB2 ARG 58 2HB ARG 58 0.865 -4.391 15.031 436 HB3 ARG 58 3HB ARG 58 2.083 -5.649 14.882 437 HG2 ARG 58 2HG ARG 58 3.726 -3.857 14.107 438 HG3 ARG 58 3HG ARG 58 2.482 -2.663 14.511 439 HD2 ARG 58 2HD ARG 58 3.842 -2.731 16.417 440 HD3 ARG 58 3HD ARG 58 2.451 -3.738 16.863 441 HE ARG 58 HE ARG 58 4.369 -5.451 15.745 442 HH11 ARG 58 1HH1 ARG 58 6.384 -6.029 18.592 443 HH12 ARG 58 2HH1 ARG 58 6.025 -6.544 16.988 444 HH21 ARG 58 1HH2 ARG 58 5.239 -4.171 19.523 445 HH22 ARG 58 2HH2 ARG 58 4.034 -3.375 18.573 446 H VAL 59 H VAL 59 0.302 -5.796 10.917 447 HA VAL 59 HA VAL 59 0.897 -8.578 11.623 448 HB VAL 59 HB VAL 59 -0.581 -7.461 9.217 449 HG11 VAL 59 1HG1 VAL 59 -0.725 -10.169 10.617 450 HG12 VAL 59 2HG1 VAL 59 -1.734 -9.661 9.245 451 HG13 VAL 59 3HG1 VAL 59 0.006 -9.849 9.029 452 HG21 VAL 59 1HG2 VAL 59 -1.727 -6.591 11.207 453 HG22 VAL 59 2HG2 VAL 59 -2.682 -7.895 10.516 454 HG23 VAL 59 3HG2 VAL 59 -1.692 -8.201 11.961 455 H ASP 60 H ASP 60 2.253 -9.869 10.411 456 HA ASP 60 HA ASP 60 4.395 -8.708 8.852 457 HB2 ASP 60 2HB ASP 60 4.670 -10.702 10.274 458 HB3 ASP 60 3HB ASP 60 3.456 -11.567 9.321 459 H ILE 61 H ILE 61 4.616 -8.809 6.607 460 HA ILE 61 HA ILE 61 2.232 -9.734 5.069 461 HB ILE 61 HB ILE 61 2.616 -8.047 3.471 462 HG12 ILE 61 2HG1 ILE 61 5.049 -7.231 5.102 463 HG13 ILE 61 3HG1 ILE 61 5.073 -7.980 3.496 464 HG21 ILE 61 1HG2 ILE 61 1.904 -6.131 4.681 465 HG22 ILE 61 2HG2 ILE 61 1.384 -7.505 5.667 466 HG23 ILE 61 3HG2 ILE 61 2.849 -6.604 6.119 467 HD11 ILE 61 1HD1 ILE 61 3.974 -5.278 4.210 468 HD12 ILE 61 2HD1 ILE 61 5.370 -5.676 3.181 469 HD13 ILE 61 3HD1 ILE 61 3.710 -6.111 2.647 470 H GLU 62 H GLU 62 5.561 -10.201 5.605 471 HA GLU 62 HA GLU 62 6.497 -11.028 3.107 472 HB2 GLU 62 2HB GLU 62 7.873 -10.943 5.160 473 HB3 GLU 62 3HB GLU 62 7.040 -12.368 5.799 474 HG2 GLU 62 2HG GLU 62 7.924 -13.787 4.084 475 HG3 GLU 62 3HG GLU 62 8.376 -12.408 3.074 476 H ALA 63 H ALA 63 6.512 -13.031 2.018 477 HA ALA 63 HA ALA 63 4.427 -14.969 2.771 478 HB1 ALA 63 1HB ALA 63 3.390 -13.426 1.130 479 HB2 ALA 63 2HB ALA 63 4.741 -13.703 0.008 480 HB3 ALA 63 3HB ALA 63 3.638 -15.035 0.423 481 H GLN 64 H GLN 64 4.786 -16.916 1.196 482 HA GLN 64 HA GLN 64 7.165 -18.015 2.036 483 HB2 GLN 64 2HB GLN 64 4.968 -19.065 1.172 484 HB3 GLN 64 3HB GLN 64 5.683 -18.971 -0.441 485 HG2 GLN 64 2HG GLN 64 7.567 -20.395 0.327 486 HG3 GLN 64 3HG GLN 64 6.917 -20.371 1.979 487 HE21 GLN 64 1HE2 GLN 64 6.059 -21.363 -1.401 488 HE22 GLN 64 2HE2 GLN 64 4.985 -22.649 -0.858 489 H LEU 65 H LEU 65 9.199 -17.406 1.538 490 HA LEU 65 HA LEU 65 9.877 -15.759 -0.592 491 HB2 LEU 65 2HB LEU 65 11.317 -17.203 1.538 492 HB3 LEU 65 3HB LEU 65 12.250 -17.163 0.046 493 HG LEU 65 HG LEU 65 11.898 -14.689 -0.089 494 HD11 LEU 65 1HD1 LEU 65 9.851 -14.611 1.411 495 HD12 LEU 65 2HD1 LEU 65 10.916 -14.946 2.789 496 HD13 LEU 65 3HD1 LEU 65 11.121 -13.460 1.848 497 HD21 LEU 65 1HD2 LEU 65 13.959 -15.741 0.881 498 HD22 LEU 65 2HD2 LEU 65 13.579 -14.154 1.599 499 HD23 LEU 65 3HD2 LEU 65 13.217 -15.648 2.484 500 HA PRO 66 HA PRO 66 10.071 -18.635 -3.956 501 HB2 PRO 66 2HB PRO 66 11.325 -17.136 -5.868 502 HB3 PRO 66 3HB PRO 66 9.658 -16.787 -5.309 503 HG2 PRO 66 2HG PRO 66 12.232 -15.472 -4.434 504 HG3 PRO 66 3HG PRO 66 10.695 -14.682 -4.888 505 HD2 PRO 66 2HD PRO 66 11.389 -15.157 -2.276 506 HD3 PRO 66 3HD PRO 66 9.688 -15.221 -2.832 507 H SER 67 H SER 67 13.064 -16.828 -3.106 508 HA SER 67 HA SER 67 14.478 -19.319 -2.692 509 HB2 SER 67 2HB SER 67 15.269 -17.475 -4.977 510 HB3 SER 67 3HB SER 67 16.450 -18.505 -4.145 511 HG SER 67 HG SER 67 14.083 -19.699 -5.029 512 H GLU 68 H GLU 68 15.427 -15.833 -3.356 513 HA GLU 68 HA GLU 68 16.260 -15.682 -0.527 514 HB2 GLU 68 2HB GLU 68 18.104 -16.605 -2.061 515 HB3 GLU 68 3HB GLU 68 18.201 -14.984 -2.755 516 HG2 GLU 68 2HG GLU 68 18.615 -14.057 -0.472 517 HG3 GLU 68 3HG GLU 68 18.439 -15.675 0.215 518 H SER 69 H SER 69 14.312 -14.450 -0.631 519 HA SER 69 HA SER 69 13.117 -12.543 -0.565 520 HB2 SER 69 2HB SER 69 15.273 -11.340 0.048 521 HB3 SER 69 3HB SER 69 15.471 -10.994 -1.687 522 HG SER 69 HG SER 69 13.386 -10.102 -1.647 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -25.323 31.346 -8.728 2 H2 MET 1 H2 MET 1 -25.253 32.989 -8.638 3 H3 MET 1 H3 MET 1 -23.946 32.080 -8.206 4 HA MET 1 HA MET 1 -25.037 32.913 -6.258 5 HB2 MET 1 2HB MET 1 -27.409 31.459 -7.470 6 HB3 MET 1 3HB MET 1 -27.318 31.873 -5.744 7 HG2 MET 1 2HG MET 1 -27.174 34.211 -6.200 8 HG3 MET 1 3HG MET 1 -26.899 33.942 -7.924 9 HE1 MET 1 1HE MET 1 -28.576 35.730 -8.548 10 HE2 MET 1 2HE MET 1 -30.281 35.763 -8.047 11 HE3 MET 1 3HE MET 1 -28.998 36.061 -6.851 12 H LYS 2 H LYS 2 -26.399 29.608 -6.903 13 HA LYS 2 HA LYS 2 -23.935 28.445 -5.782 14 HB2 LYS 2 2HB LYS 2 -26.606 28.326 -4.612 15 HB3 LYS 2 3HB LYS 2 -26.206 26.748 -5.268 16 HG2 LYS 2 2HG LYS 2 -25.577 26.900 -2.930 17 HG3 LYS 2 3HG LYS 2 -24.143 26.657 -3.929 18 HD2 LYS 2 2HD LYS 2 -24.807 29.511 -3.426 19 HD3 LYS 2 3HD LYS 2 -24.450 28.594 -1.958 20 HE2 LYS 2 2HE LYS 2 -22.281 28.015 -2.636 21 HE3 LYS 2 3HE LYS 2 -22.608 28.337 -4.341 22 HZ1 LYS 2 1HZ LYS 2 -21.269 30.061 -3.351 23 HZ2 LYS 2 2HZ LYS 2 -22.708 30.657 -3.879 24 HZ3 LYS 2 3HZ LYS 2 -22.455 30.420 -2.263 25 H GLN 3 H GLN 3 -23.123 27.044 -7.289 26 HA GLN 3 HA GLN 3 -24.911 25.616 -9.030 27 HB2 GLN 3 2HB GLN 3 -23.726 26.068 -11.073 28 HB3 GLN 3 3HB GLN 3 -24.402 27.572 -10.464 29 HG2 GLN 3 2HG GLN 3 -22.249 28.373 -9.746 30 HG3 GLN 3 3HG GLN 3 -21.490 26.797 -9.987 31 HE21 GLN 3 1HE2 GLN 3 -20.833 29.511 -11.268 32 HE22 GLN 3 2HE2 GLN 3 -20.923 29.116 -12.979 33 H ASP 4 H ASP 4 -23.044 24.148 -10.418 34 HA ASP 4 HA ASP 4 -21.837 22.624 -8.289 35 HB2 ASP 4 2HB ASP 4 -22.779 21.704 -10.438 36 HB3 ASP 4 3HB ASP 4 -21.417 22.438 -11.300 37 H GLY 5 H GLY 5 -19.549 22.216 -8.058 38 HA2 GLY 5 2HA GLY 5 -17.394 23.339 -9.287 39 HA3 GLY 5 3HA GLY 5 -17.942 24.662 -8.236 40 H GLU 6 H GLU 6 -17.681 21.049 -7.882 41 HA GLU 6 HA GLU 6 -15.687 21.320 -5.791 42 HB2 GLU 6 2HB GLU 6 -18.543 20.892 -5.188 43 HB3 GLU 6 3HB GLU 6 -17.588 19.505 -4.682 44 HG2 GLU 6 2HG GLU 6 -16.892 22.373 -3.919 45 HG3 GLU 6 3HG GLU 6 -17.919 21.316 -2.948 46 H GLU 7 H GLU 7 -14.912 18.981 -5.258 47 HA GLU 7 HA GLU 7 -15.656 16.981 -7.264 48 HB2 GLU 7 2HB GLU 7 -13.739 18.546 -8.185 49 HB3 GLU 7 3HB GLU 7 -12.727 17.737 -6.993 50 HG2 GLU 7 2HG GLU 7 -12.379 16.308 -8.754 51 HG3 GLU 7 3HG GLU 7 -13.820 15.533 -8.093 52 H GLY 8 H GLY 8 -15.933 15.238 -5.915 53 HA2 GLY 8 2HA GLY 8 -14.045 14.685 -3.722 54 HA3 GLY 8 3HA GLY 8 -15.638 15.250 -3.200 55 H THR 9 H THR 9 -17.500 13.965 -4.707 56 HA THR 9 HA THR 9 -17.141 11.127 -4.153 57 HB THR 9 HB THR 9 -19.278 11.056 -5.567 58 HG1 THR 9 1HG THR 9 -18.713 13.090 -6.622 59 HG21 THR 9 1HG2 THR 9 -19.330 11.194 -3.081 60 HG22 THR 9 2HG2 THR 9 -19.285 12.970 -3.187 61 HG23 THR 9 3HG2 THR 9 -20.680 12.077 -3.827 62 H GLU 10 H GLU 10 -16.665 9.564 -5.663 63 HA GLU 10 HA GLU 10 -16.342 8.507 -7.617 64 HB2 GLU 10 2HB GLU 10 -17.133 10.927 -8.812 65 HB3 GLU 10 3HB GLU 10 -15.506 10.652 -9.436 66 HG2 GLU 10 2HG GLU 10 -17.916 8.778 -9.497 67 HG3 GLU 10 3HG GLU 10 -17.314 9.741 -10.842 68 H GLU 11 H GLU 11 -14.409 7.536 -8.032 69 HA GLU 11 HA GLU 11 -12.537 6.871 -6.775 70 HB2 GLU 11 2HB GLU 11 -11.691 8.648 -9.079 71 HB3 GLU 11 3HB GLU 11 -10.540 7.679 -8.142 72 HG2 GLU 11 2HG GLU 11 -11.841 5.625 -8.651 73 HG3 GLU 11 3HG GLU 11 -12.901 6.576 -9.699 74 H ASP 12 H ASP 12 -12.982 7.914 -4.623 75 HA ASP 12 HA ASP 12 -10.525 9.207 -3.910 76 HB2 ASP 12 2HB ASP 12 -11.869 11.194 -4.469 77 HB3 ASP 12 3HB ASP 12 -13.192 10.577 -3.453 78 H THR 13 H THR 13 -10.257 9.061 -1.700 79 HA THR 13 HA THR 13 -10.213 8.080 0.321 80 HB THR 13 HB THR 13 -13.176 8.637 0.047 81 HG1 THR 13 1HG THR 13 -11.928 10.469 -0.017 82 HG21 THR 13 1HG2 THR 13 -11.582 7.997 2.565 83 HG22 THR 13 2HG2 THR 13 -13.170 8.793 2.547 84 HG23 THR 13 3HG2 THR 13 -13.017 7.130 1.958 85 H GLU 14 H GLU 14 -11.520 6.190 -2.093 86 HA GLU 14 HA GLU 14 -11.798 3.783 -0.458 87 HB2 GLU 14 2HB GLU 14 -11.605 4.212 -3.474 88 HB3 GLU 14 3HB GLU 14 -11.840 2.649 -2.683 89 HG2 GLU 14 2HG GLU 14 -13.824 4.021 -1.447 90 HG3 GLU 14 3HG GLU 14 -13.741 4.975 -2.929 91 H GLU 15 H GLU 15 -9.311 5.107 -2.752 92 HA GLU 15 HA GLU 15 -7.434 3.127 -1.595 93 HB2 GLU 15 2HB GLU 15 -6.623 2.679 -3.863 94 HB3 GLU 15 3HB GLU 15 -8.238 2.098 -3.514 95 HG2 GLU 15 2HG GLU 15 -9.277 3.711 -4.908 96 HG3 GLU 15 3HG GLU 15 -7.829 4.707 -5.005 97 H LYS 16 H LYS 16 -5.917 4.157 -0.622 98 HA LYS 16 HA LYS 16 -4.506 6.340 -2.077 99 HB2 LYS 16 2HB LYS 16 -5.104 6.208 0.914 100 HB3 LYS 16 3HB LYS 16 -3.886 7.253 0.180 101 HG2 LYS 16 2HG LYS 16 -5.780 8.218 -1.277 102 HG3 LYS 16 3HG LYS 16 -6.895 7.370 -0.189 103 HD2 LYS 16 2HD LYS 16 -6.652 9.605 0.667 104 HD3 LYS 16 3HD LYS 16 -5.731 8.548 1.753 105 HE2 LYS 16 2HE LYS 16 -3.984 9.375 -0.385 106 HE3 LYS 16 3HE LYS 16 -4.848 10.811 0.167 107 HZ1 LYS 16 1HZ LYS 16 -4.127 10.272 2.425 108 HZ2 LYS 16 2HZ LYS 16 -3.232 9.010 1.843 109 HZ3 LYS 16 3HZ LYS 16 -2.877 10.560 1.399 110 H CYS 17 H CYS 17 -2.463 6.021 -2.297 111 HA CYS 17 HA CYS 17 -0.763 3.869 -1.157 112 HB2 CYS 17 2HB CYS 17 -0.494 5.203 -3.347 113 HB3 CYS 17 3HB CYS 17 -0.183 6.592 -2.363 114 H THR 18 H THR 18 -1.225 4.046 1.178 115 HA THR 18 HA THR 18 -1.070 6.618 2.423 116 HB THR 18 HB THR 18 -2.076 4.511 3.402 117 HG1 THR 18 1HG THR 18 -0.333 6.196 4.873 118 HG21 THR 18 1HG2 THR 18 0.706 4.104 4.544 119 HG22 THR 18 2HG2 THR 18 -0.722 3.046 4.639 120 HG23 THR 18 3HG2 THR 18 0.171 3.238 3.101 121 H ILE 19 H ILE 19 1.422 4.709 1.010 122 HA ILE 19 HA ILE 19 3.591 5.448 2.716 123 HB ILE 19 HB ILE 19 3.272 4.271 -0.052 124 HG12 ILE 19 2HG1 ILE 19 4.500 2.776 2.235 125 HG13 ILE 19 3HG1 ILE 19 2.773 3.104 2.383 126 HG21 ILE 19 1HG2 ILE 19 5.701 3.623 0.182 127 HG22 ILE 19 2HG2 ILE 19 5.411 5.354 -0.090 128 HG23 ILE 19 3HG2 ILE 19 5.805 4.764 1.542 129 HD11 ILE 19 1HD1 ILE 19 3.237 0.950 1.252 130 HD12 ILE 19 2HD1 ILE 19 2.302 2.087 0.249 131 HD13 ILE 19 3HD1 ILE 19 4.033 1.833 -0.069 132 H CYS 20 H CYS 20 2.527 6.514 -0.613 133 HA CYS 20 HA CYS 20 4.165 9.030 -0.352 134 HB2 CYS 20 2HB CYS 20 3.640 9.299 -2.690 135 HB3 CYS 20 3HB CYS 20 4.444 7.756 -2.388 136 H LEU 21 H LEU 21 1.298 8.058 0.842 137 HA LEU 21 HA LEU 21 -0.653 8.946 1.402 138 HB2 LEU 21 2HB LEU 21 1.134 11.384 1.607 139 HB3 LEU 21 3HB LEU 21 -0.490 11.308 2.294 140 HG LEU 21 HG LEU 21 1.692 9.302 3.010 141 HD11 LEU 21 1HD1 LEU 21 0.842 11.825 4.475 142 HD12 LEU 21 2HD1 LEU 21 1.986 10.590 5.063 143 HD13 LEU 21 3HD1 LEU 21 2.391 11.553 3.633 144 HD21 LEU 21 1HD2 LEU 21 -0.963 10.048 4.338 145 HD22 LEU 21 2HD2 LEU 21 -0.608 8.528 3.477 146 HD23 LEU 21 3HD2 LEU 21 0.233 8.900 4.976 147 H SER 22 H SER 22 -0.200 8.855 -1.478 148 HA SER 22 HA SER 22 -1.904 11.144 -2.369 149 HB2 SER 22 2HB SER 22 0.325 9.575 -3.693 150 HB3 SER 22 3HB SER 22 -0.853 10.509 -4.638 151 HG SER 22 HG SER 22 0.846 11.458 -2.552 152 H ILE 23 H ILE 23 -3.682 10.666 -3.871 153 HA ILE 23 HA ILE 23 -4.959 8.200 -3.448 154 HB ILE 23 HB ILE 23 -5.320 10.552 -5.357 155 HG12 ILE 23 2HG1 ILE 23 -7.079 11.289 -3.926 156 HG13 ILE 23 3HG1 ILE 23 -7.008 9.809 -2.953 157 HG21 ILE 23 1HG2 ILE 23 -7.122 8.172 -4.772 158 HG22 ILE 23 2HG2 ILE 23 -7.690 9.673 -5.547 159 HG23 ILE 23 3HG2 ILE 23 -6.475 8.687 -6.339 160 HD11 ILE 23 1HD1 ILE 23 -4.980 10.495 -1.932 161 HD12 ILE 23 2HD1 ILE 23 -4.872 11.949 -2.977 162 HD13 ILE 23 3HD1 ILE 23 -6.170 11.789 -1.774 163 H LEU 24 H LEU 24 -5.255 6.619 -4.886 164 HA LEU 24 HA LEU 24 -3.202 6.180 -6.971 165 HB2 LEU 24 2HB LEU 24 -5.366 4.464 -5.678 166 HB3 LEU 24 3HB LEU 24 -4.219 3.842 -6.878 167 HG LEU 24 HG LEU 24 -3.422 5.108 -4.210 168 HD11 LEU 24 1HD1 LEU 24 -2.788 2.786 -3.605 169 HD12 LEU 24 2HD1 LEU 24 -4.519 3.083 -3.767 170 HD13 LEU 24 3HD1 LEU 24 -3.656 2.219 -5.062 171 HD21 LEU 24 1HD2 LEU 24 -1.647 5.459 -5.650 172 HD22 LEU 24 2HD2 LEU 24 -1.235 3.883 -4.926 173 HD23 LEU 24 3HD2 LEU 24 -1.924 3.950 -6.558 174 H GLU 25 H GLU 25 -5.149 4.409 -8.531 175 HA GLU 25 HA GLU 25 -7.288 5.916 -9.363 176 HB2 GLU 25 2HB GLU 25 -6.700 6.543 -11.616 177 HB3 GLU 25 3HB GLU 25 -5.514 7.271 -10.524 178 HG2 GLU 25 2HG GLU 25 -3.965 5.380 -11.034 179 HG3 GLU 25 3HG GLU 25 -5.110 4.769 -12.225 180 H GLU 26 H GLU 26 -8.486 4.671 -10.946 181 HA GLU 26 HA GLU 26 -8.009 1.814 -10.874 182 HB2 GLU 26 2HB GLU 26 -10.241 2.998 -10.946 183 HB3 GLU 26 3HB GLU 26 -9.982 3.325 -12.654 184 HG2 GLU 26 2HG GLU 26 -9.918 0.536 -11.401 185 HG3 GLU 26 3HG GLU 26 -11.392 1.278 -12.008 186 H GLY 27 H GLY 27 -5.953 1.489 -11.773 187 HA2 GLY 27 2HA GLY 27 -5.688 0.562 -14.278 188 HA3 GLY 27 3HA GLY 27 -5.472 2.292 -14.580 189 H GLU 28 H GLU 28 -4.126 2.671 -11.871 190 HA GLU 28 HA GLU 28 -1.468 2.439 -12.837 191 HB2 GLU 28 2HB GLU 28 -2.889 3.458 -10.464 192 HB3 GLU 28 3HB GLU 28 -1.336 2.793 -10.033 193 HG2 GLU 28 2HG GLU 28 -1.535 4.690 -12.391 194 HG3 GLU 28 3HG GLU 28 -1.497 5.305 -10.729 195 H ASP 29 H ASP 29 0.311 1.414 -11.744 196 HA ASP 29 HA ASP 29 -0.181 -1.441 -11.263 197 HB2 ASP 29 2HB ASP 29 2.346 0.244 -11.105 198 HB3 ASP 29 3HB ASP 29 2.253 -1.423 -10.604 199 H VAL 30 H VAL 30 -0.990 -2.080 -9.384 200 HA VAL 30 HA VAL 30 -0.056 -0.853 -6.873 201 HB VAL 30 HB VAL 30 -2.350 -0.871 -5.994 202 HG11 VAL 30 1HG1 VAL 30 -3.197 1.107 -7.140 203 HG12 VAL 30 2HG1 VAL 30 -1.438 1.224 -6.968 204 HG13 VAL 30 3HG1 VAL 30 -2.159 0.796 -8.534 205 HG21 VAL 30 1HG2 VAL 30 -3.392 -2.566 -7.464 206 HG22 VAL 30 2HG2 VAL 30 -4.292 -1.041 -7.492 207 HG23 VAL 30 3HG2 VAL 30 -3.243 -1.457 -8.851 208 H ARG 31 H ARG 31 -1.022 -2.353 -5.049 209 HA ARG 31 HA ARG 31 -1.193 -5.136 -5.788 210 HB2 ARG 31 2HB ARG 31 1.206 -3.917 -4.391 211 HB3 ARG 31 3HB ARG 31 0.610 -5.438 -3.755 212 HG2 ARG 31 2HG ARG 31 0.728 -5.898 -6.539 213 HG3 ARG 31 3HG ARG 31 2.176 -4.948 -6.152 214 HD2 ARG 31 2HD ARG 31 2.714 -6.515 -4.317 215 HD3 ARG 31 3HD ARG 31 1.272 -7.474 -4.737 216 HE ARG 31 HE ARG 31 2.936 -7.165 -7.025 217 HH11 ARG 31 1HH1 ARG 31 4.623 -10.246 -6.639 218 HH12 ARG 31 2HH1 ARG 31 4.260 -8.955 -7.724 219 HH21 ARG 31 1HH2 ARG 31 3.787 -10.193 -4.419 220 HH22 ARG 31 2HH2 ARG 31 2.820 -8.851 -3.925 221 H ARG 32 H ARG 32 -1.457 -6.373 -3.530 222 HA ARG 32 HA ARG 32 -3.052 -4.679 -1.717 223 HB2 ARG 32 2HB ARG 32 -4.281 -6.021 -3.684 224 HB3 ARG 32 3HB ARG 32 -4.033 -7.401 -2.616 225 HG2 ARG 32 2HG ARG 32 -5.549 -4.821 -2.012 226 HG3 ARG 32 3HG ARG 32 -6.226 -6.427 -2.299 227 HD2 ARG 32 2HD ARG 32 -4.579 -6.988 -0.197 228 HD3 ARG 32 3HD ARG 32 -4.906 -5.319 0.152 229 HE ARG 32 HE ARG 32 -7.223 -5.742 0.328 230 HH11 ARG 32 1HH1 ARG 32 -8.752 -8.877 0.804 231 HH12 ARG 32 2HH1 ARG 32 -8.978 -7.169 0.842 232 HH21 ARG 32 1HH2 ARG 32 -6.651 -9.781 0.186 233 HH22 ARG 32 2HH2 ARG 32 -5.334 -8.703 -0.094 234 H LEU 33 H LEU 33 -2.756 -5.366 0.469 235 HA LEU 33 HA LEU 33 -0.853 -7.600 0.835 236 HB2 LEU 33 2HB LEU 33 -1.147 -5.788 3.097 237 HB3 LEU 33 3HB LEU 33 0.322 -6.294 2.254 238 HG LEU 33 HG LEU 33 -1.548 -4.088 1.354 239 HD11 LEU 33 1HD1 LEU 33 1.200 -3.684 2.576 240 HD12 LEU 33 2HD1 LEU 33 -0.138 -2.536 2.326 241 HD13 LEU 33 3HD1 LEU 33 -0.257 -3.766 3.572 242 HD21 LEU 33 1HD2 LEU 33 0.248 -3.411 -0.146 243 HD22 LEU 33 2HD2 LEU 33 1.339 -4.669 0.512 244 HD23 LEU 33 3HD2 LEU 33 -0.038 -5.120 -0.475 245 HA PRO 34 HA PRO 34 -3.700 -9.811 3.207 246 HB2 PRO 34 2HB PRO 34 -2.481 -10.548 5.555 247 HB3 PRO 34 3HB PRO 34 -2.039 -11.222 3.956 248 HG2 PRO 34 2HG PRO 34 -0.625 -9.098 5.548 249 HG3 PRO 34 3HG PRO 34 0.061 -10.404 4.528 250 HD2 PRO 34 2HD PRO 34 -0.303 -7.723 3.826 251 HD3 PRO 34 3HD PRO 34 -0.040 -9.016 2.648 252 H CYS 35 H CYS 35 -2.136 -7.111 4.931 253 HA CYS 35 HA CYS 35 -4.279 -6.769 6.919 254 HB2 CYS 35 2HB CYS 35 -2.815 -5.200 7.771 255 HB3 CYS 35 3HB CYS 35 -1.708 -6.404 7.106 256 H MET 36 H MET 36 -5.070 -6.711 4.086 257 HA MET 36 HA MET 36 -6.202 -5.601 2.580 258 HB2 MET 36 2HB MET 36 -8.353 -4.804 3.370 259 HB3 MET 36 3HB MET 36 -7.883 -6.314 4.150 260 HG2 MET 36 2HG MET 36 -7.242 -5.097 6.190 261 HG3 MET 36 3HG MET 36 -7.619 -3.557 5.414 262 HE1 MET 36 1HE MET 36 -9.300 -2.528 6.932 263 HE2 MET 36 2HE MET 36 -10.515 -3.457 7.840 264 HE3 MET 36 3HE MET 36 -8.781 -3.790 8.075 265 H HIS 37 H HIS 37 -4.115 -4.307 2.419 266 HA HIS 37 HA HIS 37 -5.086 -1.501 2.211 267 HB2 HIS 37 1HB HIS 37 -2.507 -2.538 3.321 268 HB3 HIS 37 2HB HIS 37 -2.420 -1.119 2.280 269 HD2 HIS 37 2HD HIS 37 -4.028 1.012 2.936 270 HE1 HIS 37 1HE HIS 37 -4.426 -0.007 7.046 271 HE2 HIS 37 2HE HIS 37 -4.748 1.847 5.312 272 H LEU 38 H LEU 38 -4.415 -0.321 0.367 273 HA LEU 38 HA LEU 38 -3.808 -2.013 -1.996 274 HB2 LEU 38 2HB LEU 38 -6.222 -0.733 -1.300 275 HB3 LEU 38 3HB LEU 38 -5.481 0.420 -2.386 276 HG LEU 38 HG LEU 38 -5.801 -2.528 -3.060 277 HD11 LEU 38 1HD1 LEU 38 -8.016 -1.486 -2.631 278 HD12 LEU 38 2HD1 LEU 38 -7.627 -0.198 -3.793 279 HD13 LEU 38 3HD1 LEU 38 -7.793 -1.871 -4.348 280 HD21 LEU 38 1HD2 LEU 38 -5.363 -0.072 -4.825 281 HD22 LEU 38 2HD2 LEU 38 -4.114 -1.274 -4.406 282 HD23 LEU 38 3HD2 LEU 38 -5.521 -1.746 -5.380 283 H PHE 39 H PHE 39 -1.721 -1.385 -2.525 284 HA PHE 39 HA PHE 39 -0.962 1.489 -2.153 285 HB2 PHE 39 2HB PHE 39 0.523 -1.046 -1.362 286 HB3 PHE 39 3HB PHE 39 1.303 0.514 -1.472 287 HD1 PHE 39 1HD PHE 39 -1.572 1.722 -0.079 288 HD2 PHE 39 2HD PHE 39 1.612 -1.004 0.922 289 HE1 PHE 39 1HE PHE 39 -2.064 2.013 2.298 290 HE2 PHE 39 2HE PHE 39 1.172 -0.630 3.324 291 HZ PHE 39 HZ PHE 39 -0.719 0.810 4.026 292 H HIS 40 H HIS 40 0.735 2.188 -3.610 293 HA HIS 40 HA HIS 40 0.679 1.146 -6.289 294 HB2 HIS 40 1HB HIS 40 2.583 2.854 -4.700 295 HB3 HIS 40 2HB HIS 40 3.034 2.328 -6.311 296 HD2 HIS 40 2HD HIS 40 0.809 2.911 -8.190 297 HE1 HIS 40 1HE HIS 40 1.144 6.905 -6.782 298 HE2 HIS 40 2HE HIS 40 0.445 5.401 -8.741 299 H GLN 41 H GLN 41 2.223 -0.153 -7.392 300 HA GLN 41 HA GLN 41 3.491 -2.266 -5.967 301 HB2 GLN 41 2HB GLN 41 3.352 -1.272 -8.755 302 HB3 GLN 41 3HB GLN 41 4.852 -2.114 -8.390 303 HG2 GLN 41 2HG GLN 41 3.659 -4.026 -7.490 304 HG3 GLN 41 3HG GLN 41 2.101 -3.190 -7.678 305 HE21 GLN 41 1HE2 GLN 41 0.931 -4.037 -9.366 306 HE22 GLN 41 2HE2 GLN 41 1.676 -4.480 -10.903 307 H VAL 42 H VAL 42 5.027 0.645 -7.493 308 HA VAL 42 HA VAL 42 7.595 -0.050 -6.509 309 HB VAL 42 HB VAL 42 6.498 2.685 -7.287 310 HG11 VAL 42 1HG1 VAL 42 9.367 1.675 -6.992 311 HG12 VAL 42 2HG1 VAL 42 8.905 3.221 -7.742 312 HG13 VAL 42 3HG1 VAL 42 8.593 2.948 -6.022 313 HG21 VAL 42 1HG2 VAL 42 6.309 1.030 -9.117 314 HG22 VAL 42 2HG2 VAL 42 7.619 2.160 -9.463 315 HG23 VAL 42 3HG2 VAL 42 7.995 0.535 -8.860 316 H CYS 43 H CYS 43 5.130 2.182 -5.081 317 HA CYS 43 HA CYS 43 6.713 2.997 -2.832 318 HB2 CYS 43 2HB CYS 43 3.712 2.614 -2.886 319 HB3 CYS 43 3HB CYS 43 4.658 3.659 -1.843 320 H VAL 44 H VAL 44 4.477 0.105 -3.196 321 HA VAL 44 HA VAL 44 4.951 -0.553 -0.476 322 HB VAL 44 HB VAL 44 2.887 -1.102 -1.833 323 HG11 VAL 44 1HG1 VAL 44 4.033 -2.285 -3.696 324 HG12 VAL 44 2HG1 VAL 44 4.586 -3.524 -2.548 325 HG13 VAL 44 3HG1 VAL 44 2.845 -3.310 -2.866 326 HG21 VAL 44 1HG2 VAL 44 3.575 -1.919 0.493 327 HG22 VAL 44 2HG2 VAL 44 2.401 -2.905 -0.407 328 HG23 VAL 44 3HG2 VAL 44 4.098 -3.414 -0.297 329 H ASP 45 H ASP 45 6.672 -1.268 -3.446 330 HA ASP 45 HA ASP 45 8.106 -3.572 -2.531 331 HB2 ASP 45 2HB ASP 45 8.181 -2.773 -4.868 332 HB3 ASP 45 3HB ASP 45 9.023 -1.306 -4.355 333 H GLN 46 H GLN 46 8.994 -0.081 -2.464 334 HA GLN 46 HA GLN 46 11.150 -0.534 -0.626 335 HB2 GLN 46 2HB GLN 46 9.615 2.023 -1.277 336 HB3 GLN 46 3HB GLN 46 11.093 1.950 -0.296 337 HG2 GLN 46 2HG GLN 46 12.292 0.890 -2.214 338 HG3 GLN 46 3HG GLN 46 10.838 1.077 -3.209 339 HE21 GLN 46 1HE2 GLN 46 12.675 2.278 -4.501 340 HE22 GLN 46 2HE2 GLN 46 12.792 3.998 -4.134 341 H ALA 47 H ALA 47 7.714 -0.064 -0.059 342 HA ALA 47 HA ALA 47 7.917 0.523 2.728 343 HB1 ALA 47 1HB ALA 47 5.840 0.633 1.327 344 HB2 ALA 47 2HB ALA 47 5.799 -1.151 1.342 345 HB3 ALA 47 3HB ALA 47 5.629 -0.252 2.860 346 H LEU 48 H LEU 48 7.542 -2.635 1.015 347 HA LEU 48 HA LEU 48 7.592 -4.222 3.337 348 HB2 LEU 48 2HB LEU 48 6.775 -4.782 1.017 349 HB3 LEU 48 3HB LEU 48 8.443 -5.041 0.518 350 HG LEU 48 HG LEU 48 7.195 -6.513 2.883 351 HD11 LEU 48 1HD1 LEU 48 6.642 -8.345 1.327 352 HD12 LEU 48 2HD1 LEU 48 5.762 -6.867 0.908 353 HD13 LEU 48 3HD1 LEU 48 7.184 -7.352 -0.043 354 HD21 LEU 48 1HD2 LEU 48 8.847 -8.289 2.241 355 HD22 LEU 48 2HD2 LEU 48 9.513 -7.201 1.013 356 HD23 LEU 48 3HD2 LEU 48 9.639 -6.797 2.739 357 H ILE 49 H ILE 49 10.286 -3.432 1.027 358 HA ILE 49 HA ILE 49 12.216 -4.897 2.506 359 HB ILE 49 HB ILE 49 13.898 -3.816 1.252 360 HG12 ILE 49 2HG1 ILE 49 12.928 -1.920 -0.427 361 HG13 ILE 49 3HG1 ILE 49 12.032 -1.566 1.060 362 HG21 ILE 49 1HG2 ILE 49 13.218 -4.273 -0.996 363 HG22 ILE 49 2HG2 ILE 49 12.425 -5.438 0.082 364 HG23 ILE 49 3HG2 ILE 49 11.511 -4.079 -0.597 365 HD11 ILE 49 1HD1 ILE 49 14.100 -0.276 1.003 366 HD12 ILE 49 2HD1 ILE 49 14.196 -1.470 2.310 367 HD13 ILE 49 3HD1 ILE 49 15.053 -1.761 0.784 368 H THR 50 H THR 50 10.960 -1.587 3.000 369 HA THR 50 HA THR 50 13.014 -0.861 4.869 370 HB THR 50 HB THR 50 10.197 0.162 4.356 371 HG1 THR 50 1HG THR 50 11.645 0.752 2.841 372 HG21 THR 50 1HG2 THR 50 10.587 0.637 6.716 373 HG22 THR 50 2HG2 THR 50 12.233 1.221 6.358 374 HG23 THR 50 3HG2 THR 50 10.811 2.116 5.773 375 H ASN 51 H ASN 51 9.709 -2.278 5.226 376 HA ASN 51 HA ASN 51 10.560 -3.799 7.484 377 HB2 ASN 51 2HB ASN 51 10.034 -1.361 8.361 378 HB3 ASN 51 3HB ASN 51 8.352 -1.785 8.096 379 HD21 ASN 51 1HD2 ASN 51 9.437 -4.807 9.005 380 HD22 ASN 51 2HD2 ASN 51 9.437 -4.532 10.729 381 H LYS 52 H LYS 52 9.560 -5.679 6.659 382 HA LYS 52 HA LYS 52 7.031 -5.702 5.312 383 HB2 LYS 52 2HB LYS 52 7.153 -8.138 5.671 384 HB3 LYS 52 3HB LYS 52 8.598 -7.458 4.947 385 HG2 LYS 52 2HG LYS 52 9.922 -8.299 6.556 386 HG3 LYS 52 3HG LYS 52 8.964 -7.543 7.847 387 HD2 LYS 52 2HD LYS 52 7.338 -9.335 7.711 388 HD3 LYS 52 3HD LYS 52 8.226 -10.111 6.401 389 HE2 LYS 52 2HE LYS 52 8.915 -11.408 8.087 390 HE3 LYS 52 3HE LYS 52 10.189 -10.176 8.165 391 HZ1 LYS 52 1HZ LYS 52 7.723 -10.320 9.778 392 HZ2 LYS 52 2HZ LYS 52 9.224 -10.659 10.338 393 HZ3 LYS 52 3HZ LYS 52 8.813 -9.104 9.910 394 H LYS 53 H LYS 53 5.779 -4.268 6.656 395 HA LYS 53 HA LYS 53 3.859 -5.831 8.059 396 HB2 LYS 53 2HB LYS 53 3.880 -4.418 10.148 397 HB3 LYS 53 3HB LYS 53 5.207 -5.562 10.025 398 HG2 LYS 53 2HG LYS 53 6.750 -3.946 10.143 399 HG3 LYS 53 3HG LYS 53 6.012 -3.004 8.845 400 HD2 LYS 53 2HD LYS 53 4.396 -2.045 10.450 401 HD3 LYS 53 3HD LYS 53 5.181 -2.950 11.770 402 HE2 LYS 53 2HE LYS 53 7.290 -1.798 11.351 403 HE3 LYS 53 3HE LYS 53 6.622 -1.000 9.919 404 HZ1 LYS 53 1HZ LYS 53 5.751 -0.579 12.703 405 HZ2 LYS 53 2HZ LYS 53 6.648 0.459 11.797 406 HZ3 LYS 53 3HZ LYS 53 5.083 0.149 11.381 407 H CYS 54 H CYS 54 1.892 -4.644 8.201 408 HA CYS 54 HA CYS 54 1.476 -2.335 6.426 409 HB2 CYS 54 2HB CYS 54 -0.092 -4.156 8.087 410 HB3 CYS 54 3HB CYS 54 -0.498 -2.465 8.445 411 HA PRO 55 HA PRO 55 2.512 0.802 9.475 412 HB2 PRO 55 2HB PRO 55 0.879 2.880 8.679 413 HB3 PRO 55 3HB PRO 55 2.364 2.378 7.825 414 HG2 PRO 55 2HG PRO 55 -0.493 1.688 7.123 415 HG3 PRO 55 3HG PRO 55 0.862 2.148 6.049 416 HD2 PRO 55 2HD PRO 55 0.069 -0.455 6.479 417 HD3 PRO 55 3HD PRO 55 1.750 0.005 6.071 418 H ILE 56 H ILE 56 -1.000 1.552 9.046 419 HA ILE 56 HA ILE 56 -1.287 1.148 11.941 420 HB ILE 56 HB ILE 56 -1.974 3.243 11.011 421 HG12 ILE 56 2HG1 ILE 56 -4.583 1.968 11.806 422 HG13 ILE 56 3HG1 ILE 56 -3.221 1.915 12.934 423 HG21 ILE 56 1HG2 ILE 56 -2.671 2.693 8.745 424 HG22 ILE 56 2HG2 ILE 56 -4.017 1.704 9.354 425 HG23 ILE 56 3HG2 ILE 56 -4.017 3.455 9.594 426 HD11 ILE 56 1HD1 ILE 56 -3.013 4.360 12.863 427 HD12 ILE 56 2HD1 ILE 56 -4.360 4.456 11.702 428 HD13 ILE 56 3HD1 ILE 56 -4.646 3.869 13.351 429 H CYS 57 H CYS 57 -0.828 -1.146 11.006 430 HA CYS 57 HA CYS 57 -3.300 -2.636 11.695 431 HB2 CYS 57 2HB CYS 57 -1.691 -3.949 9.565 432 HB3 CYS 57 3HB CYS 57 -3.353 -4.185 10.040 433 H ARG 58 H ARG 58 0.284 -2.563 11.124 434 HA ARG 58 HA ARG 58 1.968 -3.503 12.231 435 HB2 ARG 58 2HB ARG 58 0.463 -2.432 14.185 436 HB3 ARG 58 3HB ARG 58 0.337 -4.124 14.684 437 HG2 ARG 58 2HG ARG 58 2.886 -4.234 14.611 438 HG3 ARG 58 3HG ARG 58 2.879 -2.514 14.201 439 HD2 ARG 58 2HD ARG 58 3.174 -2.354 16.463 440 HD3 ARG 58 3HD ARG 58 1.402 -2.281 16.390 441 HE ARG 58 HE ARG 58 2.146 -4.990 16.618 442 HH11 ARG 58 1HH1 ARG 58 2.484 -5.180 20.139 443 HH12 ARG 58 2HH1 ARG 58 2.405 -6.086 18.673 444 HH21 ARG 58 1HH2 ARG 58 2.400 -2.810 20.065 445 HH22 ARG 58 2HH2 ARG 58 2.229 -2.030 18.533 446 H VAL 59 H VAL 59 0.301 -5.146 10.557 447 HA VAL 59 HA VAL 59 0.728 -7.838 11.746 448 HB VAL 59 HB VAL 59 -1.101 -7.023 9.439 449 HG11 VAL 59 1HG1 VAL 59 -0.798 -9.661 10.950 450 HG12 VAL 59 2HG1 VAL 59 -2.032 -9.314 9.720 451 HG13 VAL 59 3HG1 VAL 59 -0.335 -9.361 9.258 452 HG21 VAL 59 1HG2 VAL 59 -2.061 -6.152 11.494 453 HG22 VAL 59 2HG2 VAL 59 -2.964 -7.589 11.023 454 HG23 VAL 59 3HG2 VAL 59 -1.769 -7.688 12.337 455 H ASP 60 H ASP 60 1.881 -9.303 10.393 456 HA ASP 60 HA ASP 60 3.943 -8.167 8.737 457 HB2 ASP 60 2HB ASP 60 3.923 -10.297 10.208 458 HB3 ASP 60 3HB ASP 60 3.079 -11.081 8.871 459 H ILE 61 H ILE 61 4.178 -8.516 6.446 460 HA ILE 61 HA ILE 61 1.682 -9.170 4.985 461 HB ILE 61 HB ILE 61 2.197 -7.490 3.378 462 HG12 ILE 61 2HG1 ILE 61 4.571 -6.732 5.151 463 HG13 ILE 61 3HG1 ILE 61 4.671 -7.495 3.549 464 HG21 ILE 61 1HG2 ILE 61 0.931 -6.999 5.587 465 HG22 ILE 61 2HG2 ILE 61 2.406 -6.108 6.043 466 HG23 ILE 61 3HG2 ILE 61 1.446 -5.625 4.605 467 HD11 ILE 61 1HD1 ILE 61 3.534 -4.775 4.198 468 HD12 ILE 61 2HD1 ILE 61 4.970 -5.182 3.213 469 HD13 ILE 61 3HD1 ILE 61 3.330 -5.619 2.633 470 H GLU 62 H GLU 62 5.000 -9.862 5.313 471 HA GLU 62 HA GLU 62 5.757 -10.559 2.687 472 HB2 GLU 62 2HB GLU 62 7.312 -10.624 4.558 473 HB3 GLU 62 3HB GLU 62 6.451 -12.010 5.275 474 HG2 GLU 62 2HG GLU 62 6.968 -13.265 3.082 475 HG3 GLU 62 3HG GLU 62 7.992 -11.904 2.648 476 H ALA 63 H ALA 63 5.422 -12.294 1.344 477 HA ALA 63 HA ALA 63 3.837 -14.577 2.352 478 HB1 ALA 63 1HB ALA 63 2.505 -14.567 0.268 479 HB2 ALA 63 2HB ALA 63 2.228 -13.101 1.236 480 HB3 ALA 63 3HB ALA 63 3.260 -13.029 -0.210 481 H GLN 64 H GLN 64 5.861 -15.577 2.482 482 HA GLN 64 HA GLN 64 7.311 -17.134 1.835 483 HB2 GLN 64 2HB GLN 64 5.353 -17.931 0.548 484 HB3 GLN 64 3HB GLN 64 5.946 -17.091 -0.881 485 HG2 GLN 64 2HG GLN 64 7.463 -18.697 -1.341 486 HG3 GLN 64 3HG GLN 64 8.055 -18.749 0.321 487 HE21 GLN 64 1HE2 GLN 64 6.578 -20.687 -2.001 488 HE22 GLN 64 2HE2 GLN 64 5.796 -21.792 -0.875 489 H LEU 65 H LEU 65 8.925 -15.539 2.173 490 HA LEU 65 HA LEU 65 11.081 -15.166 1.769 491 HB2 LEU 65 2HB LEU 65 10.528 -15.559 -1.178 492 HB3 LEU 65 3HB LEU 65 11.797 -14.476 -0.687 493 HG LEU 65 HG LEU 65 12.838 -16.244 0.696 494 HD11 LEU 65 1HD1 LEU 65 10.788 -18.066 -0.640 495 HD12 LEU 65 2HD1 LEU 65 12.189 -18.598 0.318 496 HD13 LEU 65 3HD1 LEU 65 10.878 -17.697 1.098 497 HD21 LEU 65 1HD2 LEU 65 13.589 -15.774 -1.612 498 HD22 LEU 65 2HD2 LEU 65 13.759 -17.487 -1.226 499 HD23 LEU 65 3HD2 LEU 65 12.407 -16.940 -2.243 500 HA PRO 66 HA PRO 66 9.797 -10.919 1.956 501 HB2 PRO 66 2HB PRO 66 12.026 -9.833 3.141 502 HB3 PRO 66 3HB PRO 66 10.823 -10.823 4.015 503 HG2 PRO 66 2HG PRO 66 13.505 -11.687 2.920 504 HG3 PRO 66 3HG PRO 66 12.752 -12.095 4.492 505 HD2 PRO 66 2HD PRO 66 12.697 -13.765 2.299 506 HD3 PRO 66 3HD PRO 66 11.406 -13.735 3.535 507 H SER 67 H SER 67 13.163 -11.624 0.845 508 HA SER 67 HA SER 67 12.703 -10.577 -1.728 509 HB2 SER 67 2HB SER 67 12.896 -8.387 -0.458 510 HB3 SER 67 3HB SER 67 14.539 -8.865 0.013 511 HG SER 67 HG SER 67 14.302 -7.528 -1.939 512 H GLU 68 H GLU 68 15.124 -10.352 -2.749 513 HA GLU 68 HA GLU 68 17.086 -12.004 -1.375 514 HB2 GLU 68 2HB GLU 68 15.474 -13.499 -2.884 515 HB3 GLU 68 3HB GLU 68 16.467 -12.875 -4.207 516 HG2 GLU 68 2HG GLU 68 18.512 -13.662 -2.970 517 HG3 GLU 68 3HG GLU 68 17.466 -14.299 -1.697 518 H SER 69 H SER 69 18.708 -10.436 -1.414 519 HA SER 69 HA SER 69 19.797 -9.467 -3.838 520 HB2 SER 69 2HB SER 69 17.751 -7.986 -3.695 521 HB3 SER 69 3HB SER 69 18.314 -7.441 -2.100 522 HG SER 69 HG SER 69 20.323 -6.909 -3.273 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -28.944 37.823 3.635 2 H2 MET 1 H2 MET 1 -30.275 38.599 4.244 3 H3 MET 1 H3 MET 1 -30.149 38.281 2.627 4 HA MET 1 HA MET 1 -29.749 40.572 2.996 5 HB2 MET 1 2HB MET 1 -28.055 39.546 5.186 6 HB3 MET 1 3HB MET 1 -27.234 40.738 4.165 7 HG2 MET 1 2HG MET 1 -29.205 42.235 4.341 8 HG3 MET 1 3HG MET 1 -29.896 41.138 5.548 9 HE1 MET 1 1HE MET 1 -29.045 44.363 5.612 10 HE2 MET 1 2HE MET 1 -29.983 43.604 6.921 11 HE3 MET 1 3HE MET 1 -28.501 44.515 7.296 12 H LYS 2 H LYS 2 -26.505 38.993 3.043 13 HA LYS 2 HA LYS 2 -26.159 39.606 0.220 14 HB2 LYS 2 2HB LYS 2 -24.173 38.141 0.389 15 HB3 LYS 2 3HB LYS 2 -24.137 39.475 1.524 16 HG2 LYS 2 2HG LYS 2 -25.046 36.683 2.343 17 HG3 LYS 2 3HG LYS 2 -23.353 37.155 2.285 18 HD2 LYS 2 2HD LYS 2 -24.580 39.207 3.801 19 HD3 LYS 2 3HD LYS 2 -25.333 37.695 4.342 20 HE2 LYS 2 2HE LYS 2 -23.400 38.082 5.711 21 HE3 LYS 2 3HE LYS 2 -23.051 36.710 4.643 22 HZ1 LYS 2 1HZ LYS 2 -21.806 38.191 3.230 23 HZ2 LYS 2 2HZ LYS 2 -22.158 39.491 4.183 24 HZ3 LYS 2 3HZ LYS 2 -21.218 38.272 4.761 25 H GLN 3 H GLN 3 -25.845 37.789 -1.365 26 HA GLN 3 HA GLN 3 -27.731 35.548 -0.872 27 HB2 GLN 3 2HB GLN 3 -28.277 37.194 -2.826 28 HB3 GLN 3 3HB GLN 3 -26.787 36.600 -3.572 29 HG2 GLN 3 2HG GLN 3 -27.927 34.208 -3.007 30 HG3 GLN 3 3HG GLN 3 -29.395 35.183 -3.067 31 HE21 GLN 3 1HE2 GLN 3 -27.174 33.375 -4.934 32 HE22 GLN 3 2HE2 GLN 3 -27.644 34.024 -6.498 33 H ASP 4 H ASP 4 -26.673 33.522 -0.992 34 HA ASP 4 HA ASP 4 -23.935 33.381 -2.055 35 HB2 ASP 4 2HB ASP 4 -24.797 32.732 0.797 36 HB3 ASP 4 3HB ASP 4 -23.382 31.997 0.037 37 H GLY 5 H GLY 5 -23.419 31.046 -2.433 38 HA2 GLY 5 2HA GLY 5 -25.174 28.898 -2.066 39 HA3 GLY 5 3HA GLY 5 -25.674 29.700 -3.570 40 H GLU 6 H GLU 6 -23.123 27.831 -1.973 41 HA GLU 6 HA GLU 6 -21.859 27.364 -4.592 42 HB2 GLU 6 2HB GLU 6 -20.419 28.105 -2.002 43 HB3 GLU 6 3HB GLU 6 -19.640 27.399 -3.428 44 HG2 GLU 6 2HG GLU 6 -20.443 29.356 -4.784 45 HG3 GLU 6 3HG GLU 6 -21.047 30.103 -3.294 46 H GLU 7 H GLU 7 -21.249 25.152 -4.790 47 HA GLU 7 HA GLU 7 -21.021 23.486 -2.510 48 HB2 GLU 7 2HB GLU 7 -22.747 21.874 -3.232 49 HB3 GLU 7 3HB GLU 7 -23.443 23.397 -2.681 50 HG2 GLU 7 2HG GLU 7 -23.707 24.102 -5.090 51 HG3 GLU 7 3HG GLU 7 -23.121 22.505 -5.579 52 H GLY 8 H GLY 8 -19.592 21.946 -3.112 53 HA2 GLY 8 2HA GLY 8 -19.130 21.252 -5.936 54 HA3 GLY 8 3HA GLY 8 -17.769 21.977 -5.038 55 H THR 9 H THR 9 -17.997 19.145 -6.067 56 HA THR 9 HA THR 9 -17.497 17.770 -3.537 57 HB THR 9 HB THR 9 -18.933 15.833 -4.368 58 HG1 THR 9 1HG THR 9 -20.049 17.917 -5.939 59 HG21 THR 9 1HG2 THR 9 -20.999 16.662 -3.410 60 HG22 THR 9 2HG2 THR 9 -19.637 17.317 -2.478 61 HG23 THR 9 3HG2 THR 9 -20.503 18.346 -3.642 62 H GLU 10 H GLU 10 -15.865 16.226 -3.837 63 HA GLU 10 HA GLU 10 -15.066 15.466 -6.551 64 HB2 GLU 10 2HB GLU 10 -13.756 17.546 -4.931 65 HB3 GLU 10 3HB GLU 10 -12.651 16.217 -5.290 66 HG2 GLU 10 2HG GLU 10 -12.827 16.499 -7.615 67 HG3 GLU 10 3HG GLU 10 -14.352 17.374 -7.510 68 H GLU 11 H GLU 11 -15.263 13.291 -6.230 69 HA GLU 11 HA GLU 11 -14.832 12.180 -3.550 70 HB2 GLU 11 2HB GLU 11 -16.257 11.406 -6.046 71 HB3 GLU 11 3HB GLU 11 -15.524 10.061 -5.149 72 HG2 GLU 11 2HG GLU 11 -16.674 10.575 -3.146 73 HG3 GLU 11 3HG GLU 11 -17.140 12.183 -3.707 74 H ASP 12 H ASP 12 -12.737 12.073 -3.117 75 HA ASP 12 HA ASP 12 -10.921 10.682 -5.038 76 HB2 ASP 12 2HB ASP 12 -11.087 13.323 -4.863 77 HB3 ASP 12 3HB ASP 12 -10.198 13.122 -3.357 78 H THR 13 H THR 13 -12.114 9.304 -3.003 79 HA THR 13 HA THR 13 -9.873 8.697 -1.179 80 HB THR 13 HB THR 13 -12.622 9.562 -0.187 81 HG1 THR 13 1HG THR 13 -11.196 11.224 -0.735 82 HG21 THR 13 1HG2 THR 13 -11.474 9.476 2.102 83 HG22 THR 13 2HG2 THR 13 -11.951 7.921 1.426 84 HG23 THR 13 3HG2 THR 13 -10.250 8.425 1.352 85 H GLU 14 H GLU 14 -11.928 7.361 -3.351 86 HA GLU 14 HA GLU 14 -12.703 5.006 -1.827 87 HB2 GLU 14 2HB GLU 14 -12.527 5.700 -4.778 88 HB3 GLU 14 3HB GLU 14 -12.838 4.040 -4.215 89 HG2 GLU 14 2HG GLU 14 -14.726 5.032 -2.768 90 HG3 GLU 14 3HG GLU 14 -14.548 6.507 -3.724 91 H GLU 15 H GLU 15 -9.998 5.804 -4.096 92 HA GLU 15 HA GLU 15 -8.517 3.520 -2.903 93 HB2 GLU 15 2HB GLU 15 -7.666 3.075 -5.228 94 HB3 GLU 15 3HB GLU 15 -9.330 2.626 -4.884 95 HG2 GLU 15 2HG GLU 15 -10.218 4.453 -6.129 96 HG3 GLU 15 3HG GLU 15 -8.651 5.257 -6.231 97 H LYS 16 H LYS 16 -6.973 4.485 -1.728 98 HA LYS 16 HA LYS 16 -5.080 6.181 -3.201 99 HB2 LYS 16 2HB LYS 16 -4.902 7.698 -1.139 100 HB3 LYS 16 3HB LYS 16 -6.277 7.929 -2.228 101 HG2 LYS 16 2HG LYS 16 -7.780 6.798 -0.810 102 HG3 LYS 16 3HG LYS 16 -6.469 6.277 0.267 103 HD2 LYS 16 2HD LYS 16 -7.816 8.153 1.195 104 HD3 LYS 16 3HD LYS 16 -6.109 8.601 0.991 105 HE2 LYS 16 2HE LYS 16 -6.525 9.961 -0.845 106 HE3 LYS 16 3HE LYS 16 -8.002 9.118 -1.297 107 HZ1 LYS 16 1HZ LYS 16 -8.611 11.170 -0.512 108 HZ2 LYS 16 2HZ LYS 16 -9.055 10.170 0.664 109 HZ3 LYS 16 3HZ LYS 16 -7.691 11.093 0.864 110 H CYS 17 H CYS 17 -3.069 5.884 -2.718 111 HA CYS 17 HA CYS 17 -1.903 3.612 -1.310 112 HB2 CYS 17 2HB CYS 17 -1.010 4.932 -3.297 113 HB3 CYS 17 3HB CYS 17 -0.856 6.307 -2.231 114 H THR 18 H THR 18 -1.504 3.507 0.878 115 HA THR 18 HA THR 18 -1.988 5.912 2.488 116 HB THR 18 HB THR 18 -2.724 3.477 2.987 117 HG1 THR 18 1HG THR 18 -2.758 4.064 5.152 118 HG21 THR 18 1HG2 THR 18 -1.249 2.247 4.453 119 HG22 THR 18 2HG2 THR 18 -0.357 2.572 2.937 120 HG23 THR 18 3HG2 THR 18 -0.025 3.522 4.399 121 H ILE 19 H ILE 19 0.802 4.339 1.038 122 HA ILE 19 HA ILE 19 2.663 5.120 3.094 123 HB ILE 19 HB ILE 19 2.835 3.983 0.298 124 HG12 ILE 19 2HG1 ILE 19 3.879 2.701 2.827 125 HG13 ILE 19 3HG1 ILE 19 2.132 2.716 2.565 126 HG21 ILE 19 1HG2 ILE 19 5.065 4.809 2.184 127 HG22 ILE 19 2HG2 ILE 19 5.303 3.642 0.865 128 HG23 ILE 19 3HG2 ILE 19 4.814 5.309 0.496 129 HD11 ILE 19 1HD1 ILE 19 3.199 0.667 1.682 130 HD12 ILE 19 2HD1 ILE 19 2.345 1.610 0.438 131 HD13 ILE 19 3HD1 ILE 19 4.123 1.656 0.532 132 H CYS 20 H CYS 20 1.873 6.284 -0.238 133 HA CYS 20 HA CYS 20 3.487 8.795 0.196 134 HB2 CYS 20 2HB CYS 20 3.030 9.153 -2.154 135 HB3 CYS 20 3HB CYS 20 3.852 7.609 -1.888 136 H LEU 21 H LEU 21 0.417 7.710 1.006 137 HA LEU 21 HA LEU 21 -1.660 8.623 1.113 138 HB2 LEU 21 2HB LEU 21 0.052 10.923 2.068 139 HB3 LEU 21 3HB LEU 21 -1.698 10.819 2.307 140 HG LEU 21 HG LEU 21 0.233 8.674 3.268 141 HD11 LEU 21 1HD1 LEU 21 0.758 10.765 4.396 142 HD12 LEU 21 2HD1 LEU 21 -0.958 10.995 4.821 143 HD13 LEU 21 3HD1 LEU 21 -0.035 9.634 5.509 144 HD21 LEU 21 1HD2 LEU 21 -2.190 7.997 3.004 145 HD22 LEU 21 2HD2 LEU 21 -1.630 7.946 4.670 146 HD23 LEU 21 3HD2 LEU 21 -2.638 9.303 4.113 147 H SER 22 H SER 22 -1.141 8.445 -1.417 148 HA SER 22 HA SER 22 -2.307 10.923 -2.579 149 HB2 SER 22 2HB SER 22 0.063 10.834 -3.245 150 HB3 SER 22 3HB SER 22 -0.144 9.165 -3.815 151 HG SER 22 HG SER 22 -1.521 9.891 -5.429 152 H ILE 23 H ILE 23 -3.931 10.479 -4.168 153 HA ILE 23 HA ILE 23 -5.291 8.035 -4.036 154 HB ILE 23 HB ILE 23 -5.335 10.563 -5.740 155 HG12 ILE 23 2HG1 ILE 23 -7.377 10.952 -4.525 156 HG13 ILE 23 3HG1 ILE 23 -7.259 9.418 -3.682 157 HG21 ILE 23 1HG2 ILE 23 -7.598 9.790 -6.523 158 HG22 ILE 23 2HG2 ILE 23 -6.245 8.928 -7.224 159 HG23 ILE 23 3HG2 ILE 23 -7.199 8.157 -5.941 160 HD11 ILE 23 1HD1 ILE 23 -6.703 11.460 -2.342 161 HD12 ILE 23 2HD1 ILE 23 -5.409 10.250 -2.385 162 HD13 ILE 23 3HD1 ILE 23 -5.304 11.725 -3.393 163 H LEU 24 H LEU 24 -5.615 6.681 -5.767 164 HA LEU 24 HA LEU 24 -3.224 6.068 -7.431 165 HB2 LEU 24 2HB LEU 24 -5.699 4.473 -6.618 166 HB3 LEU 24 3HB LEU 24 -4.303 3.795 -7.462 167 HG LEU 24 HG LEU 24 -4.015 5.111 -4.721 168 HD11 LEU 24 1HD1 LEU 24 -4.539 2.240 -5.443 169 HD12 LEU 24 2HD1 LEU 24 -4.078 2.842 -3.818 170 HD13 LEU 24 3HD1 LEU 24 -5.612 3.344 -4.549 171 HD21 LEU 24 1HD2 LEU 24 -2.028 3.552 -4.710 172 HD22 LEU 24 2HD2 LEU 24 -2.329 3.272 -6.430 173 HD23 LEU 24 3HD2 LEU 24 -1.941 4.925 -5.862 174 H GLU 25 H GLU 25 -4.924 4.395 -9.232 175 HA GLU 25 HA GLU 25 -7.087 5.901 -10.134 176 HB2 GLU 25 2HB GLU 25 -6.430 6.435 -12.394 177 HB3 GLU 25 3HB GLU 25 -5.323 7.222 -11.269 178 HG2 GLU 25 2HG GLU 25 -3.582 5.592 -11.736 179 HG3 GLU 25 3HG GLU 25 -4.688 4.634 -12.739 180 H GLU 26 H GLU 26 -7.959 4.780 -12.263 181 HA GLU 26 HA GLU 26 -8.272 2.024 -11.674 182 HB2 GLU 26 2HB GLU 26 -9.997 3.386 -12.764 183 HB3 GLU 26 3HB GLU 26 -8.960 3.626 -14.179 184 HG2 GLU 26 2HG GLU 26 -9.023 1.201 -14.663 185 HG3 GLU 26 3HG GLU 26 -9.919 0.910 -13.169 186 H GLY 27 H GLY 27 -6.441 0.790 -11.738 187 HA2 GLY 27 2HA GLY 27 -5.227 -0.793 -13.070 188 HA3 GLY 27 3HA GLY 27 -5.262 0.326 -14.439 189 H GLU 28 H GLU 28 -4.504 1.842 -11.403 190 HA GLU 28 HA GLU 28 -1.830 2.504 -12.024 191 HB2 GLU 28 2HB GLU 28 -3.306 3.718 -10.499 192 HB3 GLU 28 3HB GLU 28 -3.417 2.314 -9.436 193 HG2 GLU 28 2HG GLU 28 -2.010 4.104 -8.537 194 HG3 GLU 28 3HG GLU 28 -1.152 2.578 -8.711 195 H ASP 29 H ASP 29 0.049 1.809 -10.726 196 HA ASP 29 HA ASP 29 0.249 -1.132 -10.732 197 HB2 ASP 29 2HB ASP 29 2.209 1.073 -10.032 198 HB3 ASP 29 3HB ASP 29 2.568 -0.643 -9.918 199 H VAL 30 H VAL 30 -0.689 -2.120 -8.961 200 HA VAL 30 HA VAL 30 -0.154 -0.980 -6.300 201 HB VAL 30 HB VAL 30 -2.536 -1.265 -5.655 202 HG11 VAL 30 1HG1 VAL 30 -1.698 0.934 -6.382 203 HG12 VAL 30 2HG1 VAL 30 -2.202 0.567 -8.047 204 HG13 VAL 30 3HG1 VAL 30 -3.413 0.701 -6.776 205 HG21 VAL 30 1HG2 VAL 30 -3.242 -2.952 -7.326 206 HG22 VAL 30 2HG2 VAL 30 -4.278 -1.515 -7.364 207 HG23 VAL 30 3HG2 VAL 30 -3.054 -1.747 -8.620 208 H ARG 31 H ARG 31 -0.489 -2.565 -4.561 209 HA ARG 31 HA ARG 31 -0.417 -5.352 -5.526 210 HB2 ARG 31 2HB ARG 31 1.350 -4.222 -3.348 211 HB3 ARG 31 3HB ARG 31 1.221 -5.924 -3.801 212 HG2 ARG 31 2HG ARG 31 1.881 -5.170 -6.195 213 HG3 ARG 31 3HG ARG 31 2.363 -3.650 -5.419 214 HD2 ARG 31 2HD ARG 31 4.346 -4.876 -5.333 215 HD3 ARG 31 3HD ARG 31 3.623 -5.202 -3.739 216 HE ARG 31 HE ARG 31 2.724 -7.184 -5.526 217 HH11 ARG 31 1HH1 ARG 31 5.285 -9.542 -5.021 218 HH12 ARG 31 2HH1 ARG 31 3.701 -9.284 -5.648 219 HH21 ARG 31 1HH2 ARG 31 6.493 -7.736 -4.073 220 HH22 ARG 31 2HH2 ARG 31 5.754 -6.179 -4.001 221 H ARG 32 H ARG 32 -0.812 -6.815 -3.568 222 HA ARG 32 HA ARG 32 -2.788 -5.616 -1.716 223 HB2 ARG 32 2HB ARG 32 -3.947 -7.119 -3.253 224 HB3 ARG 32 3HB ARG 32 -2.657 -8.321 -3.142 225 HG2 ARG 32 2HG ARG 32 -4.574 -9.100 -1.876 226 HG3 ARG 32 3HG ARG 32 -3.242 -8.774 -0.779 227 HD2 ARG 32 2HD ARG 32 -4.953 -7.727 0.353 228 HD3 ARG 32 3HD ARG 32 -4.334 -6.384 -0.578 229 HE ARG 32 HE ARG 32 -6.452 -7.937 -1.893 230 HH11 ARG 32 1HH1 ARG 32 -8.876 -5.413 -1.434 231 HH12 ARG 32 2HH1 ARG 32 -8.574 -6.960 -2.138 232 HH21 ARG 32 1HH2 ARG 32 -7.247 -4.433 0.022 233 HH22 ARG 32 2HH2 ARG 32 -5.634 -5.032 -0.116 234 H LEU 33 H LEU 33 -2.526 -6.274 0.489 235 HA LEU 33 HA LEU 33 -0.309 -8.071 1.114 236 HB2 LEU 33 2HB LEU 33 -0.259 -6.394 3.231 237 HB3 LEU 33 3HB LEU 33 0.773 -6.151 1.832 238 HG LEU 33 HG LEU 33 -1.964 -4.865 1.912 239 HD11 LEU 33 1HD1 LEU 33 -0.950 -2.938 3.097 240 HD12 LEU 33 2HD1 LEU 33 -0.983 -4.384 4.117 241 HD13 LEU 33 3HD1 LEU 33 0.534 -3.869 3.355 242 HD21 LEU 33 1HD2 LEU 33 -0.295 -4.692 -0.103 243 HD22 LEU 33 2HD2 LEU 33 -0.921 -3.174 0.552 244 HD23 LEU 33 3HD2 LEU 33 0.713 -3.733 0.975 245 HA PRO 34 HA PRO 34 -3.128 -10.386 3.135 246 HB2 PRO 34 2HB PRO 34 -2.088 -11.064 5.623 247 HB3 PRO 34 3HB PRO 34 -1.539 -11.722 4.053 248 HG2 PRO 34 2HG PRO 34 -0.295 -9.528 5.702 249 HG3 PRO 34 3HG PRO 34 0.507 -10.821 4.755 250 HD2 PRO 34 2HD PRO 34 0.206 -8.230 3.938 251 HD3 PRO 34 3HD PRO 34 0.355 -9.555 2.791 252 H CYS 35 H CYS 35 -2.182 -7.615 5.011 253 HA CYS 35 HA CYS 35 -4.468 -7.295 6.805 254 HB2 CYS 35 2HB CYS 35 -2.131 -6.374 6.979 255 HB3 CYS 35 3HB CYS 35 -2.509 -5.365 5.573 256 H MET 36 H MET 36 -5.020 -7.788 3.685 257 HA MET 36 HA MET 36 -6.442 -7.034 2.106 258 HB2 MET 36 2HB MET 36 -7.905 -6.264 4.644 259 HB3 MET 36 3HB MET 36 -8.657 -6.216 3.054 260 HG2 MET 36 2HG MET 36 -7.310 -8.793 3.612 261 HG3 MET 36 3HG MET 36 -8.589 -8.384 4.748 262 HE1 MET 36 1HE MET 36 -7.828 -9.985 1.338 263 HE2 MET 36 2HE MET 36 -9.160 -9.436 0.299 264 HE3 MET 36 3HE MET 36 -7.915 -8.279 0.823 265 H HIS 37 H HIS 37 -4.332 -5.082 2.836 266 HA HIS 37 HA HIS 37 -5.722 -2.520 2.260 267 HB2 HIS 37 1HB HIS 37 -3.217 -3.312 3.642 268 HB3 HIS 37 2HB HIS 37 -3.037 -1.937 2.558 269 HD2 HIS 37 2HD HIS 37 -5.523 -0.209 2.961 270 HE1 HIS 37 1HE HIS 37 -4.818 -0.384 7.159 271 HE2 HIS 37 2HE HIS 37 -6.048 0.863 5.289 272 H LEU 38 H LEU 38 -4.829 -1.119 0.517 273 HA LEU 38 HA LEU 38 -3.774 -2.696 -1.775 274 HB2 LEU 38 2HB LEU 38 -6.224 -2.285 -1.906 275 HB3 LEU 38 3HB LEU 38 -5.969 -0.556 -1.757 276 HG LEU 38 HG LEU 38 -4.488 -2.005 -3.945 277 HD11 LEU 38 1HD1 LEU 38 -6.454 -1.922 -5.432 278 HD12 LEU 38 2HD1 LEU 38 -6.747 -3.009 -4.065 279 HD13 LEU 38 3HD1 LEU 38 -7.471 -1.379 -4.085 280 HD21 LEU 38 1HD2 LEU 38 -6.024 0.644 -3.846 281 HD22 LEU 38 2HD2 LEU 38 -4.258 0.454 -3.719 282 HD23 LEU 38 3HD2 LEU 38 -5.097 0.032 -5.221 283 H PHE 39 H PHE 39 -1.778 -1.860 -2.179 284 HA PHE 39 HA PHE 39 -1.255 1.023 -1.532 285 HB2 PHE 39 2HB PHE 39 0.458 -1.457 -1.073 286 HB3 PHE 39 3HB PHE 39 1.093 0.168 -1.008 287 HD1 PHE 39 1HD PHE 39 1.762 -1.286 1.178 288 HD2 PHE 39 2HD PHE 39 -2.028 0.646 0.542 289 HE1 PHE 39 1HE PHE 39 1.392 -1.204 3.614 290 HE2 PHE 39 2HE PHE 39 -2.444 0.637 2.952 291 HZ PHE 39 HZ PHE 39 -0.739 -0.254 4.516 292 H HIS 40 H HIS 40 0.781 1.761 -2.781 293 HA HIS 40 HA HIS 40 0.558 1.090 -5.626 294 HB2 HIS 40 1HB HIS 40 2.204 2.838 -3.877 295 HB3 HIS 40 2HB HIS 40 3.019 2.302 -5.331 296 HD2 HIS 40 2HD HIS 40 1.089 2.766 -7.669 297 HE1 HIS 40 1HE HIS 40 1.023 6.757 -6.214 298 HE2 HIS 40 2HE HIS 40 0.650 5.208 -8.267 299 H GLN 41 H GLN 41 2.374 0.201 -6.873 300 HA GLN 41 HA GLN 41 3.715 -2.037 -5.648 301 HB2 GLN 41 2HB GLN 41 2.961 -1.986 -7.995 302 HB3 GLN 41 3HB GLN 41 4.147 -0.718 -8.359 303 HG2 GLN 41 2HG GLN 41 5.921 -2.170 -8.345 304 HG3 GLN 41 3HG GLN 41 5.257 -3.157 -7.040 305 HE21 GLN 41 1HE2 GLN 41 3.267 -4.553 -7.649 306 HE22 GLN 41 2HE2 GLN 41 3.334 -5.249 -9.262 307 H VAL 42 H VAL 42 5.077 1.030 -7.100 308 HA VAL 42 HA VAL 42 7.681 0.437 -6.157 309 HB VAL 42 HB VAL 42 6.438 3.132 -6.843 310 HG11 VAL 42 1HG1 VAL 42 8.811 3.836 -7.246 311 HG12 VAL 42 2HG1 VAL 42 8.493 3.499 -5.540 312 HG13 VAL 42 3HG1 VAL 42 9.363 2.307 -6.528 313 HG21 VAL 42 1HG2 VAL 42 6.399 1.506 -8.720 314 HG22 VAL 42 2HG2 VAL 42 7.607 2.760 -9.015 315 HG23 VAL 42 3HG2 VAL 42 8.121 1.157 -8.458 316 H CYS 43 H CYS 43 5.125 2.482 -4.616 317 HA CYS 43 HA CYS 43 6.589 3.240 -2.289 318 HB2 CYS 43 2HB CYS 43 3.661 2.489 -2.383 319 HB3 CYS 43 3HB CYS 43 4.482 3.535 -1.243 320 H VAL 44 H VAL 44 4.555 0.192 -2.802 321 HA VAL 44 HA VAL 44 5.234 -0.566 -0.150 322 HB VAL 44 HB VAL 44 3.111 -1.115 -1.417 323 HG11 VAL 44 1HG1 VAL 44 4.365 -2.206 -3.364 324 HG12 VAL 44 2HG1 VAL 44 4.755 -3.537 -2.264 325 HG13 VAL 44 3HG1 VAL 44 3.055 -3.156 -2.643 326 HG21 VAL 44 1HG2 VAL 44 4.533 -3.366 0.030 327 HG22 VAL 44 2HG2 VAL 44 3.813 -1.961 0.824 328 HG23 VAL 44 3HG2 VAL 44 2.781 -3.094 -0.095 329 H ASP 45 H ASP 45 6.861 -1.000 -3.175 330 HA ASP 45 HA ASP 45 8.409 -3.339 -2.533 331 HB2 ASP 45 2HB ASP 45 8.423 -2.476 -4.792 332 HB3 ASP 45 3HB ASP 45 9.025 -0.904 -4.256 333 H GLN 46 H GLN 46 9.300 0.134 -2.311 334 HA GLN 46 HA GLN 46 11.472 -0.278 -0.519 335 HB2 GLN 46 2HB GLN 46 9.680 2.060 -1.263 336 HB3 GLN 46 3HB GLN 46 10.803 2.260 0.080 337 HG2 GLN 46 2HG GLN 46 11.891 1.133 -2.503 338 HG3 GLN 46 3HG GLN 46 11.497 2.857 -2.426 339 HE21 GLN 46 1HE2 GLN 46 13.557 3.842 -2.286 340 HE22 GLN 46 2HE2 GLN 46 14.664 3.445 -0.977 341 H ALA 47 H ALA 47 8.013 0.012 0.202 342 HA ALA 47 HA ALA 47 8.351 0.356 3.009 343 HB1 ALA 47 1HB ALA 47 6.159 -1.190 1.589 344 HB2 ALA 47 2HB ALA 47 6.061 -0.408 3.181 345 HB3 ALA 47 3HB ALA 47 6.226 0.587 1.710 346 H LEU 48 H LEU 48 7.682 -2.680 1.223 347 HA LEU 48 HA LEU 48 7.923 -4.486 3.326 348 HB2 LEU 48 2HB LEU 48 6.829 -4.973 1.227 349 HB3 LEU 48 3HB LEU 48 8.316 -4.757 0.315 350 HG LEU 48 HG LEU 48 8.509 -6.810 2.463 351 HD11 LEU 48 1HD1 LEU 48 7.252 -8.515 1.182 352 HD12 LEU 48 2HD1 LEU 48 6.195 -7.237 1.786 353 HD13 LEU 48 3HD1 LEU 48 6.669 -7.250 0.075 354 HD21 LEU 48 1HD2 LEU 48 9.593 -8.083 0.645 355 HD22 LEU 48 2HD2 LEU 48 9.074 -6.870 -0.542 356 HD23 LEU 48 3HD2 LEU 48 10.262 -6.444 0.702 357 H ILE 49 H ILE 49 10.465 -3.475 0.934 358 HA ILE 49 HA ILE 49 12.443 -5.160 2.124 359 HB ILE 49 HB ILE 49 14.061 -3.993 0.839 360 HG12 ILE 49 2HG1 ILE 49 13.007 -1.998 -0.647 361 HG13 ILE 49 3HG1 ILE 49 12.240 -1.722 0.926 362 HG21 ILE 49 1HG2 ILE 49 13.205 -4.283 -1.393 363 HG22 ILE 49 2HG2 ILE 49 12.580 -5.557 -0.336 364 HG23 ILE 49 3HG2 ILE 49 11.537 -4.206 -0.823 365 HD11 ILE 49 1HD1 ILE 49 14.502 -1.791 2.010 366 HD12 ILE 49 2HD1 ILE 49 15.228 -2.002 0.403 367 HD13 ILE 49 3HD1 ILE 49 14.368 -0.507 0.803 368 H THR 50 H THR 50 11.333 -1.838 2.904 369 HA THR 50 HA THR 50 13.505 -1.327 4.693 370 HB THR 50 HB THR 50 10.750 -0.105 4.349 371 HG1 THR 50 1HG THR 50 12.240 0.471 2.832 372 HG21 THR 50 1HG2 THR 50 12.888 0.702 6.355 373 HG22 THR 50 2HG2 THR 50 11.518 1.717 5.854 374 HG23 THR 50 3HG2 THR 50 11.214 0.204 6.719 375 H ASN 51 H ASN 51 10.278 -2.841 5.107 376 HA ASN 51 HA ASN 51 11.129 -4.560 7.155 377 HB2 ASN 51 2HB ASN 51 10.069 -1.948 8.116 378 HB3 ASN 51 3HB ASN 51 9.114 -3.326 8.644 379 HD21 ASN 51 1HD2 ASN 51 12.413 -2.003 8.825 380 HD22 ASN 51 2HD2 ASN 51 12.778 -2.868 10.310 381 H LYS 52 H LYS 52 9.624 -6.270 7.075 382 HA LYS 52 HA LYS 52 7.289 -5.996 5.312 383 HB2 LYS 52 2HB LYS 52 8.149 -8.363 7.026 384 HB3 LYS 52 3HB LYS 52 7.056 -8.372 5.653 385 HG2 LYS 52 2HG LYS 52 8.776 -8.902 4.331 386 HG3 LYS 52 3HG LYS 52 9.482 -7.311 4.613 387 HD2 LYS 52 2HD LYS 52 10.744 -8.192 6.558 388 HD3 LYS 52 3HD LYS 52 9.882 -9.727 6.424 389 HE2 LYS 52 2HE LYS 52 11.823 -10.324 5.426 390 HE3 LYS 52 3HE LYS 52 10.880 -9.870 4.026 391 HZ1 LYS 52 1HZ LYS 52 12.096 -7.730 4.021 392 HZ2 LYS 52 2HZ LYS 52 12.931 -8.171 5.375 393 HZ3 LYS 52 3HZ LYS 52 13.186 -8.985 4.073 394 H LYS 53 H LYS 53 6.483 -4.192 6.980 395 HA LYS 53 HA LYS 53 4.338 -5.632 8.367 396 HB2 LYS 53 2HB LYS 53 4.428 -4.670 10.412 397 HB3 LYS 53 3HB LYS 53 6.138 -4.912 10.111 398 HG2 LYS 53 2HG LYS 53 4.643 -2.260 9.748 399 HG3 LYS 53 3HG LYS 53 5.532 -2.719 11.185 400 HD2 LYS 53 2HD LYS 53 7.604 -2.536 10.213 401 HD3 LYS 53 3HD LYS 53 7.006 -2.827 8.574 402 HE2 LYS 53 2HE LYS 53 6.331 -0.291 10.087 403 HE3 LYS 53 3HE LYS 53 7.792 -0.468 9.099 404 HZ1 LYS 53 1HZ LYS 53 6.285 -1.147 7.258 405 HZ2 LYS 53 2HZ LYS 53 5.017 -0.721 8.142 406 HZ3 LYS 53 3HZ LYS 53 6.129 0.438 7.709 407 H CYS 54 H CYS 54 2.383 -4.688 8.025 408 HA CYS 54 HA CYS 54 2.090 -2.479 6.088 409 HB2 CYS 54 2HB CYS 54 0.455 -4.260 6.195 410 HB3 CYS 54 3HB CYS 54 0.195 -3.991 7.912 411 HA PRO 55 HA PRO 55 3.110 0.520 9.127 412 HB2 PRO 55 2HB PRO 55 1.995 2.820 8.045 413 HB3 PRO 55 3HB PRO 55 3.484 2.026 7.448 414 HG2 PRO 55 2HG PRO 55 0.662 1.720 6.389 415 HG3 PRO 55 3HG PRO 55 2.173 2.000 5.463 416 HD2 PRO 55 2HD PRO 55 1.137 -0.480 5.735 417 HD3 PRO 55 3HD PRO 55 2.906 -0.230 5.819 418 H ILE 56 H ILE 56 -0.352 0.766 8.103 419 HA ILE 56 HA ILE 56 -0.947 1.801 10.831 420 HB ILE 56 HB ILE 56 -1.355 3.300 8.980 421 HG12 ILE 56 2HG1 ILE 56 -3.967 2.427 10.280 422 HG13 ILE 56 3HG1 ILE 56 -2.693 3.363 11.067 423 HG21 ILE 56 1HG2 ILE 56 -3.513 1.416 7.975 424 HG22 ILE 56 2HG2 ILE 56 -3.031 2.976 7.289 425 HG23 ILE 56 3HG2 ILE 56 -1.925 1.611 7.204 426 HD11 ILE 56 1HD1 ILE 56 -4.414 4.868 10.286 427 HD12 ILE 56 2HD1 ILE 56 -2.960 5.128 9.300 428 HD13 ILE 56 3HD1 ILE 56 -4.340 4.207 8.648 429 H CYS 57 H CYS 57 -0.463 -0.633 10.988 430 HA CYS 57 HA CYS 57 -2.890 -2.309 11.529 431 HB2 CYS 57 2HB CYS 57 -0.923 -2.828 9.286 432 HB3 CYS 57 3HB CYS 57 -1.940 -4.090 10.008 433 H ARG 58 H ARG 58 0.609 -2.260 10.808 434 HA ARG 58 HA ARG 58 2.420 -3.040 11.769 435 HB2 ARG 58 2HB ARG 58 0.963 -2.106 13.986 436 HB3 ARG 58 3HB ARG 58 1.441 -3.738 14.450 437 HG2 ARG 58 2HG ARG 58 3.819 -3.032 13.542 438 HG3 ARG 58 3HG ARG 58 3.167 -1.384 13.612 439 HD2 ARG 58 2HD ARG 58 4.272 -1.718 15.677 440 HD3 ARG 58 3HD ARG 58 2.545 -1.901 16.057 441 HE ARG 58 HE ARG 58 3.440 -4.449 15.406 442 HH11 ARG 58 1HH1 ARG 58 4.943 -5.453 18.440 443 HH12 ARG 58 2HH1 ARG 58 4.339 -5.976 16.910 444 HH21 ARG 58 1HH2 ARG 58 4.892 -3.135 18.990 445 HH22 ARG 58 2HH2 ARG 58 4.217 -2.028 17.848 446 H VAL 59 H VAL 59 0.068 -4.879 10.813 447 HA VAL 59 HA VAL 59 0.847 -7.467 11.933 448 HB VAL 59 HB VAL 59 -0.848 -6.739 9.494 449 HG11 VAL 59 1HG1 VAL 59 -0.677 -9.329 11.111 450 HG12 VAL 59 2HG1 VAL 59 -1.841 -8.997 9.810 451 HG13 VAL 59 3HG1 VAL 59 -0.125 -9.101 9.438 452 HG21 VAL 59 1HG2 VAL 59 -2.803 -7.136 10.947 453 HG22 VAL 59 2HG2 VAL 59 -1.733 -7.413 12.337 454 HG23 VAL 59 3HG2 VAL 59 -1.842 -5.809 11.596 455 H ASP 60 H ASP 60 2.043 -9.021 10.751 456 HA ASP 60 HA ASP 60 4.200 -8.072 9.081 457 HB2 ASP 60 2HB ASP 60 4.494 -9.942 10.604 458 HB3 ASP 60 3HB ASP 60 3.147 -10.812 9.859 459 H ILE 61 H ILE 61 4.490 -8.556 6.871 460 HA ILE 61 HA ILE 61 2.075 -9.494 5.395 461 HB ILE 61 HB ILE 61 2.641 -8.013 3.598 462 HG12 ILE 61 2HG1 ILE 61 4.829 -6.884 5.396 463 HG13 ILE 61 3HG1 ILE 61 5.120 -7.919 3.986 464 HG21 ILE 61 1HG2 ILE 61 1.222 -7.309 5.640 465 HG22 ILE 61 2HG2 ILE 61 2.638 -6.322 6.092 466 HG23 ILE 61 3HG2 ILE 61 1.774 -6.033 4.545 467 HD11 ILE 61 1HD1 ILE 61 3.873 -6.318 2.590 468 HD12 ILE 61 2HD1 ILE 61 3.809 -5.202 3.983 469 HD13 ILE 61 3HD1 ILE 61 5.387 -5.657 3.298 470 H GLU 62 H GLU 62 5.383 -10.031 5.979 471 HA GLU 62 HA GLU 62 6.328 -11.016 3.539 472 HB2 GLU 62 2HB GLU 62 7.686 -10.800 5.610 473 HB3 GLU 62 3HB GLU 62 6.875 -12.229 6.282 474 HG2 GLU 62 2HG GLU 62 7.694 -13.606 4.396 475 HG3 GLU 62 3HG GLU 62 8.378 -12.172 3.626 476 H ALA 63 H ALA 63 5.678 -12.628 2.188 477 HA ALA 63 HA ALA 63 4.500 -15.058 3.261 478 HB1 ALA 63 1HB ALA 63 2.948 -13.190 1.402 479 HB2 ALA 63 2HB ALA 63 2.465 -14.848 1.835 480 HB3 ALA 63 3HB ALA 63 2.523 -13.585 3.082 481 H GLN 64 H GLN 64 4.389 -16.669 1.552 482 HA GLN 64 HA GLN 64 5.591 -17.929 0.114 483 HB2 GLN 64 2HB GLN 64 5.391 -15.489 -1.690 484 HB3 GLN 64 3HB GLN 64 5.872 -17.118 -2.181 485 HG2 GLN 64 2HG GLN 64 3.634 -17.942 -1.255 486 HG3 GLN 64 3HG GLN 64 3.162 -16.240 -1.118 487 HE21 GLN 64 1HE2 GLN 64 4.367 -18.710 -3.487 488 HE22 GLN 64 2HE2 GLN 64 3.565 -17.949 -4.852 489 H LEU 65 H LEU 65 7.124 -17.225 2.022 490 HA LEU 65 HA LEU 65 9.234 -17.466 2.680 491 HB2 LEU 65 2HB LEU 65 9.870 -17.593 -0.294 492 HB3 LEU 65 3HB LEU 65 11.117 -17.542 0.910 493 HG LEU 65 HG LEU 65 10.053 -19.557 2.036 494 HD11 LEU 65 1HD1 LEU 65 7.816 -19.553 1.034 495 HD12 LEU 65 2HD1 LEU 65 8.515 -19.657 -0.601 496 HD13 LEU 65 3HD1 LEU 65 8.670 -21.014 0.537 497 HD21 LEU 65 1HD2 LEU 65 11.069 -21.118 0.411 498 HD22 LEU 65 2HD2 LEU 65 11.077 -19.835 -0.821 499 HD23 LEU 65 3HD2 LEU 65 12.076 -19.680 0.640 500 HA PRO 66 HA PRO 66 10.745 -13.361 3.121 501 HB2 PRO 66 2HB PRO 66 13.370 -13.724 3.871 502 HB3 PRO 66 3HB PRO 66 11.995 -14.092 4.952 503 HG2 PRO 66 2HG PRO 66 13.522 -16.023 3.188 504 HG3 PRO 66 3HG PRO 66 13.093 -16.203 4.921 505 HD2 PRO 66 2HD PRO 66 11.596 -17.357 2.995 506 HD3 PRO 66 3HD PRO 66 10.810 -16.591 4.406 507 H SER 67 H SER 67 11.253 -11.943 1.552 508 HA SER 67 HA SER 67 12.592 -12.838 -0.877 509 HB2 SER 67 2HB SER 67 10.730 -11.114 -0.780 510 HB3 SER 67 3HB SER 67 11.898 -9.987 -0.059 511 HG SER 67 HG SER 67 13.219 -10.462 -1.991 512 H GLU 68 H GLU 68 13.444 -10.876 1.977 513 HA GLU 68 HA GLU 68 16.271 -11.064 1.427 514 HB2 GLU 68 2HB GLU 68 15.062 -8.845 0.297 515 HB3 GLU 68 3HB GLU 68 15.355 -8.249 1.926 516 HG2 GLU 68 2HG GLU 68 17.266 -7.647 0.639 517 HG3 GLU 68 3HG GLU 68 17.783 -8.991 1.656 518 H SER 69 H SER 69 17.308 -9.733 3.451 519 HA SER 69 HA SER 69 16.090 -10.830 5.830 520 HB2 SER 69 2HB SER 69 18.583 -10.528 5.407 521 HB3 SER 69 3HB SER 69 18.333 -8.782 5.641 522 HG SER 69 HG SER 69 17.341 -9.412 7.682 Start of MODEL 21 1 H1 MET 1 H1 MET 1 1.960 35.254 16.040 2 H2 MET 1 H2 MET 1 1.095 35.294 17.453 3 H3 MET 1 H3 MET 1 1.808 33.893 16.933 4 HA MET 1 HA MET 1 -0.498 33.732 16.505 5 HB2 MET 1 2HB MET 1 -0.069 36.355 15.006 6 HB3 MET 1 3HB MET 1 -1.491 35.318 14.810 7 HG2 MET 1 2HG MET 1 -2.311 36.676 16.438 8 HG3 MET 1 3HG MET 1 -1.588 35.426 17.445 9 HE1 MET 1 1HE MET 1 -2.133 39.000 16.899 10 HE2 MET 1 2HE MET 1 -0.597 39.856 17.149 11 HE3 MET 1 3HE MET 1 -0.852 38.898 15.670 12 H LYS 2 H LYS 2 -1.408 33.087 14.285 13 HA LYS 2 HA LYS 2 0.500 32.846 12.110 14 HB2 LYS 2 2HB LYS 2 1.132 30.841 13.250 15 HB3 LYS 2 3HB LYS 2 -0.538 30.392 13.597 16 HG2 LYS 2 2HG LYS 2 -0.968 29.880 11.269 17 HG3 LYS 2 3HG LYS 2 0.585 30.577 10.767 18 HD2 LYS 2 2HD LYS 2 1.815 28.832 11.882 19 HD3 LYS 2 3HD LYS 2 0.361 28.189 12.658 20 HE2 LYS 2 2HE LYS 2 0.616 28.347 9.630 21 HE3 LYS 2 3HE LYS 2 1.303 26.988 10.532 22 HZ1 LYS 2 1HZ LYS 2 -0.945 26.610 9.678 23 HZ2 LYS 2 2HZ LYS 2 -0.860 26.415 11.311 24 HZ3 LYS 2 3HZ LYS 2 -1.526 27.770 10.645 25 H GLN 3 H GLN 3 -2.454 31.076 12.977 26 HA GLN 3 HA GLN 3 -4.547 31.059 12.216 27 HB2 GLN 3 2HB GLN 3 -4.262 33.736 12.208 28 HB3 GLN 3 3HB GLN 3 -4.324 33.473 10.457 29 HG2 GLN 3 2HG GLN 3 -6.412 31.891 11.227 30 HG3 GLN 3 3HG GLN 3 -6.426 33.034 12.566 31 HE21 GLN 3 1HE2 GLN 3 -6.377 35.505 11.788 32 HE22 GLN 3 2HE2 GLN 3 -7.363 35.784 10.356 33 H ASP 4 H ASP 4 -5.606 30.123 10.289 34 HA ASP 4 HA ASP 4 -4.198 29.859 7.809 35 HB2 ASP 4 2HB ASP 4 -2.820 28.581 9.642 36 HB3 ASP 4 3HB ASP 4 -4.138 27.421 9.641 37 H GLY 5 H GLY 5 -5.386 28.071 6.502 38 HA2 GLY 5 2HA GLY 5 -7.398 26.476 7.441 39 HA3 GLY 5 3HA GLY 5 -8.230 28.011 7.126 40 H GLU 6 H GLU 6 -8.244 25.217 5.744 41 HA GLU 6 HA GLU 6 -8.443 26.338 3.061 42 HB2 GLU 6 2HB GLU 6 -6.689 23.951 3.792 43 HB3 GLU 6 3HB GLU 6 -7.473 24.092 2.217 44 HG2 GLU 6 2HG GLU 6 -6.375 26.367 1.959 45 HG3 GLU 6 3HG GLU 6 -5.402 25.977 3.389 46 H GLU 7 H GLU 7 -10.077 25.157 1.850 47 HA GLU 7 HA GLU 7 -11.102 22.691 2.729 48 HB2 GLU 7 2HB GLU 7 -12.359 24.182 4.297 49 HB3 GLU 7 3HB GLU 7 -12.953 25.123 2.916 50 HG2 GLU 7 2HG GLU 7 -14.125 23.158 2.037 51 HG3 GLU 7 3HG GLU 7 -13.376 22.119 3.255 52 H GLY 8 H GLY 8 -11.846 21.769 0.791 53 HA2 GLY 8 2HA GLY 8 -12.983 22.906 -1.441 54 HA3 GLY 8 3HA GLY 8 -11.245 23.229 -1.634 55 H THR 9 H THR 9 -10.531 21.765 -3.084 56 HA THR 9 HA THR 9 -10.244 19.926 -4.288 57 HB THR 9 HB THR 9 -8.860 19.424 -2.359 58 HG1 THR 9 1HG THR 9 -8.319 17.896 -3.608 59 HG21 THR 9 1HG2 THR 9 -10.327 18.947 -0.569 60 HG22 THR 9 2HG2 THR 9 -11.218 17.733 -1.513 61 HG23 THR 9 3HG2 THR 9 -9.549 17.414 -0.988 62 H GLU 10 H GLU 10 -11.257 17.174 -3.821 63 HA GLU 10 HA GLU 10 -14.165 17.525 -3.893 64 HB2 GLU 10 2HB GLU 10 -12.525 16.425 -6.207 65 HB3 GLU 10 3HB GLU 10 -14.141 15.798 -5.862 66 HG2 GLU 10 2HG GLU 10 -14.957 18.230 -5.866 67 HG3 GLU 10 3HG GLU 10 -13.406 18.641 -6.614 68 H GLU 11 H GLU 11 -15.149 15.184 -3.911 69 HA GLU 11 HA GLU 11 -13.957 13.860 -1.624 70 HB2 GLU 11 2HB GLU 11 -16.428 14.094 -2.045 71 HB3 GLU 11 3HB GLU 11 -16.270 12.980 -3.415 72 HG2 GLU 11 2HG GLU 11 -15.292 11.267 -1.829 73 HG3 GLU 11 3HG GLU 11 -15.586 12.389 -0.497 74 H ASP 12 H ASP 12 -12.088 12.648 -1.987 75 HA ASP 12 HA ASP 12 -12.356 10.557 -4.054 76 HB2 ASP 12 2HB ASP 12 -11.157 12.718 -4.920 77 HB3 ASP 12 3HB ASP 12 -9.792 12.179 -3.937 78 H THR 13 H THR 13 -12.342 8.892 -2.640 79 HA THR 13 HA THR 13 -9.911 8.401 -1.027 80 HB THR 13 HB THR 13 -12.552 9.317 -0.016 81 HG1 THR 13 1HG THR 13 -10.559 10.435 0.057 82 HG21 THR 13 1HG2 THR 13 -12.320 8.356 2.204 83 HG22 THR 13 2HG2 THR 13 -12.659 7.102 1.004 84 HG23 THR 13 3HG2 THR 13 -11.005 7.303 1.648 85 H GLU 14 H GLU 14 -12.032 7.024 -3.151 86 HA GLU 14 HA GLU 14 -12.558 4.508 -1.847 87 HB2 GLU 14 2HB GLU 14 -12.570 5.517 -4.709 88 HB3 GLU 14 3HB GLU 14 -12.762 3.793 -4.379 89 HG2 GLU 14 2HG GLU 14 -14.524 5.926 -3.105 90 HG3 GLU 14 3HG GLU 14 -14.918 5.106 -4.621 91 H GLU 15 H GLU 15 -9.970 5.640 -4.081 92 HA GLU 15 HA GLU 15 -8.427 3.205 -3.312 93 HB2 GLU 15 2HB GLU 15 -7.572 3.206 -5.661 94 HB3 GLU 15 3HB GLU 15 -9.243 2.717 -5.431 95 HG2 GLU 15 2HG GLU 15 -10.090 4.780 -6.316 96 HG3 GLU 15 3HG GLU 15 -8.494 5.536 -6.306 97 H LYS 16 H LYS 16 -7.517 4.563 -1.647 98 HA LYS 16 HA LYS 16 -5.395 6.344 -2.755 99 HB2 LYS 16 2HB LYS 16 -7.032 6.519 -0.228 100 HB3 LYS 16 3HB LYS 16 -5.333 6.981 -0.138 101 HG2 LYS 16 2HG LYS 16 -5.721 8.440 -2.179 102 HG3 LYS 16 3HG LYS 16 -7.460 8.202 -1.912 103 HD2 LYS 16 2HD LYS 16 -7.402 9.411 0.143 104 HD3 LYS 16 3HD LYS 16 -5.646 9.218 0.284 105 HE2 LYS 16 2HE LYS 16 -5.674 11.381 -0.454 106 HE3 LYS 16 3HE LYS 16 -5.560 10.525 -2.000 107 HZ1 LYS 16 1HZ LYS 16 -7.237 12.241 -2.082 108 HZ2 LYS 16 2HZ LYS 16 -7.980 10.785 -2.216 109 HZ3 LYS 16 3HZ LYS 16 -8.065 11.584 -0.823 110 H CYS 17 H CYS 17 -3.414 5.967 -2.295 111 HA CYS 17 HA CYS 17 -2.226 3.467 -1.189 112 HB2 CYS 17 2HB CYS 17 -1.380 4.767 -3.172 113 HB3 CYS 17 3HB CYS 17 -1.212 6.169 -2.140 114 H THR 18 H THR 18 -1.876 3.292 1.042 115 HA THR 18 HA THR 18 -2.288 5.648 2.685 116 HB THR 18 HB THR 18 -2.847 3.216 3.280 117 HG1 THR 18 1HG THR 18 -1.535 5.013 5.027 118 HG21 THR 18 1HG2 THR 18 -0.463 2.430 2.876 119 HG22 THR 18 2HG2 THR 18 0.011 3.294 4.341 120 HG23 THR 18 3HG2 THR 18 -1.167 1.986 4.470 121 H ILE 19 H ILE 19 0.524 4.485 1.007 122 HA ILE 19 HA ILE 19 2.403 5.291 3.090 123 HB ILE 19 HB ILE 19 2.555 4.021 0.358 124 HG12 ILE 19 2HG1 ILE 19 3.691 3.057 3.005 125 HG13 ILE 19 3HG1 ILE 19 1.987 2.803 2.606 126 HG21 ILE 19 1HG2 ILE 19 4.462 5.469 0.346 127 HG22 ILE 19 2HG2 ILE 19 4.829 5.117 2.054 128 HG23 ILE 19 3HG2 ILE 19 5.077 3.883 0.808 129 HD11 ILE 19 1HD1 ILE 19 4.288 1.864 0.855 130 HD12 ILE 19 2HD1 ILE 19 3.390 0.864 1.999 131 HD13 ILE 19 3HD1 ILE 19 2.557 1.580 0.593 132 H CYS 20 H CYS 20 1.593 6.278 -0.294 133 HA CYS 20 HA CYS 20 3.049 8.890 0.056 134 HB2 CYS 20 2HB CYS 20 2.525 9.178 -2.287 135 HB3 CYS 20 3HB CYS 20 3.433 7.683 -2.016 136 H LEU 21 H LEU 21 -0.017 7.595 0.824 137 HA LEU 21 HA LEU 21 -2.028 8.496 1.231 138 HB2 LEU 21 2HB LEU 21 -0.223 10.799 1.995 139 HB3 LEU 21 3HB LEU 21 -1.921 10.664 2.470 140 HG LEU 21 HG LEU 21 0.110 8.470 3.080 141 HD11 LEU 21 1HD1 LEU 21 0.903 10.517 4.123 142 HD12 LEU 21 2HD1 LEU 21 -0.702 10.803 4.844 143 HD13 LEU 21 3HD1 LEU 21 0.273 9.395 5.339 144 HD21 LEU 21 1HD2 LEU 21 -2.590 9.178 4.319 145 HD22 LEU 21 2HD2 LEU 21 -2.289 7.826 3.207 146 HD23 LEU 21 3HD2 LEU 21 -1.532 7.833 4.799 147 H SER 22 H SER 22 -1.619 8.394 -1.405 148 HA SER 22 HA SER 22 -2.969 10.827 -2.412 149 HB2 SER 22 2HB SER 22 -0.246 10.308 -2.858 150 HB3 SER 22 3HB SER 22 -1.039 9.669 -4.311 151 HG SER 22 HG SER 22 -1.065 12.268 -3.227 152 H ILE 23 H ILE 23 -4.058 10.396 -4.530 153 HA ILE 23 HA ILE 23 -5.450 7.882 -4.435 154 HB ILE 23 HB ILE 23 -5.452 10.400 -6.107 155 HG12 ILE 23 2HG1 ILE 23 -6.513 10.238 -3.799 156 HG13 ILE 23 3HG1 ILE 23 -7.535 10.833 -5.090 157 HG21 ILE 23 1HG2 ILE 23 -6.964 7.873 -6.749 158 HG22 ILE 23 2HG2 ILE 23 -7.548 9.499 -7.207 159 HG23 ILE 23 3HG2 ILE 23 -5.982 8.936 -7.790 160 HD11 ILE 23 1HD1 ILE 23 -8.721 9.183 -3.643 161 HD12 ILE 23 2HD1 ILE 23 -8.603 8.599 -5.306 162 HD13 ILE 23 3HD1 ILE 23 -7.526 7.952 -4.084 163 H LEU 24 H LEU 24 -5.599 6.422 -6.080 164 HA LEU 24 HA LEU 24 -3.142 5.813 -7.593 165 HB2 LEU 24 2HB LEU 24 -5.679 4.234 -6.916 166 HB3 LEU 24 3HB LEU 24 -4.227 3.556 -7.660 167 HG LEU 24 HG LEU 24 -4.310 4.804 -4.856 168 HD11 LEU 24 1HD1 LEU 24 -4.032 2.540 -4.039 169 HD12 LEU 24 2HD1 LEU 24 -5.545 2.735 -4.932 170 HD13 LEU 24 3HD1 LEU 24 -4.172 1.903 -5.705 171 HD21 LEU 24 1HD2 LEU 24 -2.176 3.575 -6.587 172 HD22 LEU 24 2HD2 LEU 24 -2.176 5.109 -5.677 173 HD23 LEU 24 3HD2 LEU 24 -2.046 3.545 -4.819 174 H GLU 25 H GLU 25 -4.291 4.258 -9.596 175 HA GLU 25 HA GLU 25 -6.708 5.513 -10.554 176 HB2 GLU 25 2HB GLU 25 -5.958 6.041 -12.806 177 HB3 GLU 25 3HB GLU 25 -5.027 6.955 -11.614 178 HG2 GLU 25 2HG GLU 25 -3.147 5.382 -11.844 179 HG3 GLU 25 3HG GLU 25 -4.079 4.414 -13.000 180 H GLU 26 H GLU 26 -7.411 4.329 -12.709 181 HA GLU 26 HA GLU 26 -7.518 1.552 -12.005 182 HB2 GLU 26 2HB GLU 26 -9.361 2.870 -13.052 183 HB3 GLU 26 3HB GLU 26 -8.458 2.946 -14.563 184 HG2 GLU 26 2HG GLU 26 -9.071 0.273 -13.246 185 HG3 GLU 26 3HG GLU 26 -10.327 1.116 -14.146 186 H GLY 27 H GLY 27 -6.245 -0.104 -12.683 187 HA2 GLY 27 2HA GLY 27 -4.772 -1.303 -13.974 188 HA3 GLY 27 3HA GLY 27 -4.853 -0.030 -15.198 189 H GLU 28 H GLU 28 -3.969 1.261 -12.084 190 HA GLU 28 HA GLU 28 -1.326 1.844 -13.030 191 HB2 GLU 28 2HB GLU 28 -3.006 3.041 -11.306 192 HB3 GLU 28 3HB GLU 28 -2.096 2.095 -10.133 193 HG2 GLU 28 2HG GLU 28 0.014 3.157 -11.173 194 HG3 GLU 28 3HG GLU 28 -1.069 4.183 -12.109 195 H ASP 29 H ASP 29 0.616 1.357 -11.689 196 HA ASP 29 HA ASP 29 0.924 -1.425 -11.036 197 HB2 ASP 29 2HB ASP 29 2.723 0.886 -10.220 198 HB3 ASP 29 3HB ASP 29 3.143 -0.824 -10.362 199 H VAL 30 H VAL 30 -0.171 -2.259 -9.247 200 HA VAL 30 HA VAL 30 -0.023 -0.763 -6.710 201 HB VAL 30 HB VAL 30 -2.338 -1.298 -6.211 202 HG11 VAL 30 1HG1 VAL 30 -2.242 0.111 -8.892 203 HG12 VAL 30 2HG1 VAL 30 -3.405 0.346 -7.582 204 HG13 VAL 30 3HG1 VAL 30 -1.720 0.861 -7.371 205 HG21 VAL 30 1HG2 VAL 30 -2.665 -3.325 -7.567 206 HG22 VAL 30 2HG2 VAL 30 -3.888 -2.104 -7.949 207 HG23 VAL 30 3HG2 VAL 30 -2.532 -2.361 -9.060 208 H ARG 31 H ARG 31 -1.066 -2.503 -4.990 209 HA ARG 31 HA ARG 31 -0.069 -5.160 -5.499 210 HB2 ARG 31 2HB ARG 31 1.540 -3.052 -4.163 211 HB3 ARG 31 3HB ARG 31 1.332 -4.456 -3.139 212 HG2 ARG 31 2HG ARG 31 2.195 -5.007 -5.975 213 HG3 ARG 31 3HG ARG 31 3.345 -4.199 -4.917 214 HD2 ARG 31 2HD ARG 31 3.775 -6.522 -4.720 215 HD3 ARG 31 3HD ARG 31 3.029 -5.982 -3.209 216 HE ARG 31 HE ARG 31 1.237 -7.101 -5.261 217 HH11 ARG 31 1HH1 ARG 31 0.667 -10.039 -3.396 218 HH12 ARG 31 2HH1 ARG 31 0.135 -9.093 -4.737 219 HH21 ARG 31 1HH2 ARG 31 2.459 -9.305 -2.053 220 HH22 ARG 31 2HH2 ARG 31 3.280 -7.848 -2.470 221 H ARG 32 H ARG 32 -0.105 -6.324 -3.152 222 HA ARG 32 HA ARG 32 -2.398 -5.336 -1.632 223 HB2 ARG 32 2HB ARG 32 -3.427 -6.760 -3.332 224 HB3 ARG 32 3HB ARG 32 -2.195 -8.008 -3.107 225 HG2 ARG 32 2HG ARG 32 -4.279 -8.720 -2.061 226 HG3 ARG 32 3HG ARG 32 -3.048 -8.485 -0.835 227 HD2 ARG 32 2HD ARG 32 -4.802 -7.366 0.158 228 HD3 ARG 32 3HD ARG 32 -4.051 -6.038 -0.684 229 HE ARG 32 HE ARG 32 -6.045 -7.429 -2.298 230 HH11 ARG 32 1HH1 ARG 32 -8.563 -5.012 -1.756 231 HH12 ARG 32 2HH1 ARG 32 -8.157 -6.447 -2.627 232 HH21 ARG 32 1HH2 ARG 32 -7.091 -4.196 -0.049 233 HH22 ARG 32 2HH2 ARG 32 -5.468 -4.790 -0.092 234 H LEU 33 H LEU 33 -2.425 -6.177 0.534 235 HA LEU 33 HA LEU 33 -0.295 -7.996 1.346 236 HB2 LEU 33 2HB LEU 33 -0.662 -6.260 3.514 237 HB3 LEU 33 3HB LEU 33 0.742 -6.294 2.455 238 HG LEU 33 HG LEU 33 -1.666 -4.617 1.692 239 HD11 LEU 33 1HD1 LEU 33 -0.655 -2.754 2.973 240 HD12 LEU 33 2HD1 LEU 33 -1.308 -4.020 4.007 241 HD13 LEU 33 3HD1 LEU 33 0.444 -3.899 3.771 242 HD21 LEU 33 1HD2 LEU 33 0.035 -3.265 0.620 243 HD22 LEU 33 2HD2 LEU 33 1.336 -4.054 1.539 244 HD23 LEU 33 3HD2 LEU 33 0.507 -4.932 0.250 245 HA PRO 34 HA PRO 34 -3.429 -10.110 3.403 246 HB2 PRO 34 2HB PRO 34 -2.453 -10.721 5.924 247 HB3 PRO 34 3HB PRO 34 -1.927 -11.494 4.399 248 HG2 PRO 34 2HG PRO 34 -0.576 -9.285 5.942 249 HG3 PRO 34 3HG PRO 34 0.152 -10.696 5.110 250 HD2 PRO 34 2HD PRO 34 0.052 -8.149 4.084 251 HD3 PRO 34 3HD PRO 34 0.112 -9.570 3.043 252 H CYS 35 H CYS 35 -2.326 -7.261 5.098 253 HA CYS 35 HA CYS 35 -4.547 -6.714 6.896 254 HB2 CYS 35 2HB CYS 35 -2.294 -5.720 6.950 255 HB3 CYS 35 3HB CYS 35 -2.601 -5.001 5.367 256 H MET 36 H MET 36 -4.888 -7.314 3.590 257 HA MET 36 HA MET 36 -6.266 -6.651 1.966 258 HB2 MET 36 2HB MET 36 -8.047 -6.109 4.373 259 HB3 MET 36 3HB MET 36 -8.602 -6.036 2.700 260 HG2 MET 36 2HG MET 36 -7.199 -8.465 2.840 261 HG3 MET 36 3HG MET 36 -8.089 -8.383 4.360 262 HE1 MET 36 1HE MET 36 -9.256 -10.687 3.461 263 HE2 MET 36 2HE MET 36 -10.143 -10.786 1.921 264 HE3 MET 36 3HE MET 36 -8.380 -10.547 1.916 265 H HIS 37 H HIS 37 -4.365 -4.685 2.901 266 HA HIS 37 HA HIS 37 -5.716 -2.119 2.323 267 HB2 HIS 37 1HB HIS 37 -3.376 -2.988 3.780 268 HB3 HIS 37 2HB HIS 37 -2.836 -1.962 2.466 269 HD2 HIS 37 2HD HIS 37 -5.066 0.305 2.472 270 HE1 HIS 37 1HE HIS 37 -4.006 0.879 6.556 271 HE2 HIS 37 2HE HIS 37 -5.142 1.929 4.522 272 H LEU 38 H LEU 38 -5.318 -0.990 0.337 273 HA LEU 38 HA LEU 38 -4.086 -2.551 -1.881 274 HB2 LEU 38 2HB LEU 38 -6.416 -1.822 -2.261 275 HB3 LEU 38 3HB LEU 38 -6.026 -0.195 -1.702 276 HG LEU 38 HG LEU 38 -4.463 0.055 -3.685 277 HD11 LEU 38 1HD1 LEU 38 -4.127 -2.336 -4.230 278 HD12 LEU 38 2HD1 LEU 38 -5.866 -2.496 -4.594 279 HD13 LEU 38 3HD1 LEU 38 -4.835 -1.458 -5.595 280 HD21 LEU 38 1HD2 LEU 38 -6.328 0.448 -5.264 281 HD22 LEU 38 2HD2 LEU 38 -7.413 -0.498 -4.226 282 HD23 LEU 38 3HD2 LEU 38 -6.716 1.026 -3.636 283 H PHE 39 H PHE 39 -1.971 -1.877 -2.315 284 HA PHE 39 HA PHE 39 -1.217 0.914 -1.520 285 HB2 PHE 39 2HB PHE 39 0.390 -1.672 -1.270 286 HB3 PHE 39 3HB PHE 39 1.117 -0.086 -1.295 287 HD1 PHE 39 1HD PHE 39 2.155 -1.050 0.768 288 HD2 PHE 39 2HD PHE 39 -1.961 0.144 0.635 289 HE1 PHE 39 1HE PHE 39 2.124 -0.909 3.240 290 HE2 PHE 39 2HE PHE 39 -1.984 0.329 3.062 291 HZ PHE 39 HZ PHE 39 0.043 -0.195 4.400 292 H HIS 40 H HIS 40 0.676 1.695 -2.871 293 HA HIS 40 HA HIS 40 0.391 1.031 -5.734 294 HB2 HIS 40 1HB HIS 40 2.166 2.771 -4.067 295 HB3 HIS 40 2HB HIS 40 2.735 2.327 -5.662 296 HD2 HIS 40 2HD HIS 40 0.497 2.864 -7.644 297 HE1 HIS 40 1HE HIS 40 0.247 6.726 -5.863 298 HE2 HIS 40 2HE HIS 40 -0.331 5.306 -7.931 299 H GLN 41 H GLN 41 2.226 0.181 -6.945 300 HA GLN 41 HA GLN 41 3.552 -2.050 -5.751 301 HB2 GLN 41 2HB GLN 41 2.854 -1.740 -8.140 302 HB3 GLN 41 3HB GLN 41 4.213 -0.636 -8.365 303 HG2 GLN 41 2HG GLN 41 5.780 -2.325 -8.282 304 HG3 GLN 41 3HG GLN 41 4.867 -3.283 -7.115 305 HE21 GLN 41 1HE2 GLN 41 2.389 -3.820 -8.353 306 HE22 GLN 41 2HE2 GLN 41 2.755 -4.666 -9.845 307 H VAL 42 H VAL 42 4.981 1.052 -7.054 308 HA VAL 42 HA VAL 42 7.536 0.475 -6.004 309 HB VAL 42 HB VAL 42 6.371 3.236 -6.554 310 HG11 VAL 42 1HG1 VAL 42 8.526 3.309 -5.316 311 HG12 VAL 42 2HG1 VAL 42 9.252 2.210 -6.507 312 HG13 VAL 42 3HG1 VAL 42 8.744 3.845 -6.985 313 HG21 VAL 42 1HG2 VAL 42 7.477 2.942 -8.793 314 HG22 VAL 42 2HG2 VAL 42 7.787 1.244 -8.385 315 HG23 VAL 42 3HG2 VAL 42 6.121 1.840 -8.560 316 H CYS 43 H CYS 43 4.881 2.435 -4.518 317 HA CYS 43 HA CYS 43 6.265 3.213 -2.149 318 HB2 CYS 43 2HB CYS 43 3.348 2.423 -2.318 319 HB3 CYS 43 3HB CYS 43 4.127 3.455 -1.151 320 H VAL 44 H VAL 44 4.310 0.116 -2.727 321 HA VAL 44 HA VAL 44 4.966 -0.683 -0.091 322 HB VAL 44 HB VAL 44 2.956 -1.399 -1.456 323 HG11 VAL 44 1HG1 VAL 44 3.223 -3.582 -2.550 324 HG12 VAL 44 2HG1 VAL 44 4.104 -2.311 -3.429 325 HG13 VAL 44 3HG1 VAL 44 4.974 -3.478 -2.408 326 HG21 VAL 44 1HG2 VAL 44 4.450 -3.676 -0.152 327 HG22 VAL 44 2HG2 VAL 44 3.831 -2.328 0.795 328 HG23 VAL 44 3HG2 VAL 44 2.699 -3.322 -0.166 329 H ASP 45 H ASP 45 6.704 -0.915 -3.103 330 HA ASP 45 HA ASP 45 8.344 -3.168 -2.480 331 HB2 ASP 45 2HB ASP 45 8.212 -1.985 -4.708 332 HB3 ASP 45 3HB ASP 45 9.164 -0.664 -4.020 333 H GLN 46 H GLN 46 9.031 0.361 -2.065 334 HA GLN 46 HA GLN 46 11.228 -0.221 -0.313 335 HB2 GLN 46 2HB GLN 46 9.654 2.383 -0.572 336 HB3 GLN 46 3HB GLN 46 11.203 2.173 0.267 337 HG2 GLN 46 2HG GLN 46 12.066 1.193 -1.986 338 HG3 GLN 46 3HG GLN 46 10.640 1.956 -2.706 339 HE21 GLN 46 1HE2 GLN 46 13.817 2.484 -2.552 340 HE22 GLN 46 2HE2 GLN 46 13.827 4.223 -2.287 341 H ALA 47 H ALA 47 7.793 0.052 0.368 342 HA ALA 47 HA ALA 47 8.030 0.330 3.200 343 HB1 ALA 47 1HB ALA 47 5.948 -1.241 1.636 344 HB2 ALA 47 2HB ALA 47 5.771 -0.559 3.265 345 HB3 ALA 47 3HB ALA 47 5.934 0.523 1.858 346 H LEU 48 H LEU 48 7.436 -2.676 1.343 347 HA LEU 48 HA LEU 48 7.727 -4.485 3.413 348 HB2 LEU 48 2HB LEU 48 6.646 -4.776 1.194 349 HB3 LEU 48 3HB LEU 48 8.223 -4.890 0.424 350 HG LEU 48 HG LEU 48 7.464 -6.769 2.689 351 HD11 LEU 48 1HD1 LEU 48 5.586 -6.849 1.102 352 HD12 LEU 48 2HD1 LEU 48 6.716 -7.089 -0.247 353 HD13 LEU 48 3HD1 LEU 48 6.538 -8.336 1.012 354 HD21 LEU 48 1HD2 LEU 48 9.199 -7.113 0.191 355 HD22 LEU 48 2HD2 LEU 48 9.811 -6.894 1.841 356 HD23 LEU 48 3HD2 LEU 48 8.911 -8.355 1.427 357 H ILE 49 H ILE 49 10.266 -3.387 1.041 358 HA ILE 49 HA ILE 49 12.270 -5.061 2.207 359 HB ILE 49 HB ILE 49 13.879 -3.854 1.004 360 HG12 ILE 49 2HG1 ILE 49 12.914 -1.794 -0.413 361 HG13 ILE 49 3HG1 ILE 49 12.002 -1.596 1.101 362 HG21 ILE 49 1HG2 ILE 49 12.272 -5.333 -0.239 363 HG22 ILE 49 2HG2 ILE 49 11.456 -3.867 -0.803 364 HG23 ILE 49 3HG2 ILE 49 13.143 -4.141 -1.221 365 HD11 ILE 49 1HD1 ILE 49 14.198 -0.339 0.967 366 HD12 ILE 49 2HD1 ILE 49 14.022 -1.377 2.388 367 HD13 ILE 49 3HD1 ILE 49 15.023 -1.908 1.024 368 H THR 50 H THR 50 11.062 -1.808 3.122 369 HA THR 50 HA THR 50 13.223 -1.308 4.926 370 HB THR 50 HB THR 50 10.417 -0.196 4.640 371 HG1 THR 50 1HG THR 50 11.834 0.615 3.242 372 HG21 THR 50 1HG2 THR 50 12.419 0.538 6.800 373 HG22 THR 50 2HG2 THR 50 11.012 1.518 6.323 374 HG23 THR 50 3HG2 THR 50 10.761 -0.079 7.035 375 H ASN 51 H ASN 51 10.002 -2.891 5.246 376 HA ASN 51 HA ASN 51 10.953 -4.674 7.224 377 HB2 ASN 51 2HB ASN 51 10.342 -2.238 8.382 378 HB3 ASN 51 3HB ASN 51 8.758 -2.983 8.394 379 HD21 ASN 51 1HD2 ASN 51 12.026 -3.047 9.647 380 HD22 ASN 51 2HD2 ASN 51 11.753 -4.293 10.861 381 H LYS 52 H LYS 52 9.423 -6.477 7.230 382 HA LYS 52 HA LYS 52 7.258 -6.168 5.228 383 HB2 LYS 52 2HB LYS 52 8.089 -8.630 6.826 384 HB3 LYS 52 3HB LYS 52 6.935 -8.553 5.498 385 HG2 LYS 52 2HG LYS 52 8.668 -9.217 4.250 386 HG3 LYS 52 3HG LYS 52 9.063 -7.495 4.206 387 HD2 LYS 52 2HD LYS 52 10.719 -7.783 5.981 388 HD3 LYS 52 3HD LYS 52 10.148 -9.447 6.278 389 HE2 LYS 52 2HE LYS 52 10.715 -9.937 3.842 390 HE3 LYS 52 3HE LYS 52 11.599 -8.391 3.818 391 HZ1 LYS 52 1HZ LYS 52 12.906 -9.318 5.700 392 HZ2 LYS 52 2HZ LYS 52 12.026 -10.719 5.567 393 HZ3 LYS 52 3HZ LYS 52 13.011 -10.279 4.347 394 H LYS 53 H LYS 53 6.330 -4.457 6.919 395 HA LYS 53 HA LYS 53 4.085 -5.912 8.062 396 HB2 LYS 53 2HB LYS 53 4.270 -4.757 10.281 397 HB3 LYS 53 3HB LYS 53 5.478 -6.011 9.994 398 HG2 LYS 53 2HG LYS 53 7.120 -4.211 9.340 399 HG3 LYS 53 3HG LYS 53 5.919 -3.001 9.824 400 HD2 LYS 53 2HD LYS 53 5.889 -4.088 12.113 401 HD3 LYS 53 3HD LYS 53 7.217 -5.142 11.563 402 HE2 LYS 53 2HE LYS 53 8.574 -3.123 11.039 403 HE3 LYS 53 3HE LYS 53 7.269 -2.090 11.629 404 HZ1 LYS 53 1HZ LYS 53 8.800 -4.060 13.206 405 HZ2 LYS 53 2HZ LYS 53 8.940 -2.424 13.308 406 HZ3 LYS 53 3HZ LYS 53 7.549 -3.166 13.796 407 H CYS 54 H CYS 54 2.253 -4.611 8.055 408 HA CYS 54 HA CYS 54 2.184 -2.395 6.185 409 HB2 CYS 54 2HB CYS 54 0.264 -3.848 6.732 410 HB3 CYS 54 3HB CYS 54 0.275 -3.225 8.389 411 HA PRO 55 HA PRO 55 4.073 0.358 9.150 412 HB2 PRO 55 2HB PRO 55 3.761 2.791 7.841 413 HB3 PRO 55 3HB PRO 55 5.016 1.570 7.477 414 HG2 PRO 55 2HG PRO 55 2.383 2.019 6.064 415 HG3 PRO 55 3HG PRO 55 3.992 1.699 5.351 416 HD2 PRO 55 2HD PRO 55 2.110 -0.251 5.654 417 HD3 PRO 55 3HD PRO 55 3.858 -0.601 5.850 418 H ILE 56 H ILE 56 0.739 0.437 8.284 419 HA ILE 56 HA ILE 56 0.104 2.297 10.529 420 HB ILE 56 HB ILE 56 -1.559 1.257 8.190 421 HG12 ILE 56 2HG1 ILE 56 -1.895 3.690 7.749 422 HG13 ILE 56 3HG1 ILE 56 -0.745 4.081 9.030 423 HG21 ILE 56 1HG2 ILE 56 -3.011 1.292 10.172 424 HG22 ILE 56 2HG2 ILE 56 -2.440 2.924 10.586 425 HG23 ILE 56 3HG2 ILE 56 -3.407 2.650 9.121 426 HD11 ILE 56 1HD1 ILE 56 1.089 3.245 7.743 427 HD12 ILE 56 2HD1 ILE 56 0.002 2.365 6.631 428 HD13 ILE 56 3HD1 ILE 56 0.091 4.143 6.608 429 H CYS 57 H CYS 57 -1.190 -0.739 9.108 430 HA CYS 57 HA CYS 57 -2.567 -1.530 11.480 431 HB2 CYS 57 2HB CYS 57 -1.725 -3.403 9.267 432 HB3 CYS 57 3HB CYS 57 -3.183 -3.414 10.252 433 H ARG 58 H ARG 58 0.789 -1.892 10.690 434 HA ARG 58 HA ARG 58 2.517 -2.937 11.607 435 HB2 ARG 58 2HB ARG 58 0.640 -2.603 13.902 436 HB3 ARG 58 3HB ARG 58 1.968 -3.733 14.148 437 HG2 ARG 58 2HG ARG 58 3.617 -2.073 13.613 438 HG3 ARG 58 3HG ARG 58 2.377 -0.895 13.113 439 HD2 ARG 58 2HD ARG 58 1.604 -0.571 15.309 440 HD3 ARG 58 3HD ARG 58 2.256 -2.127 15.864 441 HE ARG 58 HE ARG 58 4.341 -0.326 15.032 442 HH11 ARG 58 1HH1 ARG 58 5.341 0.257 18.381 443 HH12 ARG 58 2HH1 ARG 58 5.839 0.309 16.731 444 HH21 ARG 58 1HH2 ARG 58 3.158 -0.491 18.940 445 HH22 ARG 58 2HH2 ARG 58 2.092 -0.957 17.663 446 H VAL 59 H VAL 59 -0.202 -4.857 10.949 447 HA VAL 59 HA VAL 59 0.794 -7.364 11.879 448 HB VAL 59 HB VAL 59 -1.008 -6.742 9.497 449 HG11 VAL 59 1HG1 VAL 59 -0.649 -9.296 11.132 450 HG12 VAL 59 2HG1 VAL 59 -1.938 -9.023 9.940 451 HG13 VAL 59 3HG1 VAL 59 -0.262 -9.072 9.412 452 HG21 VAL 59 1HG2 VAL 59 -1.721 -7.364 12.402 453 HG22 VAL 59 2HG2 VAL 59 -1.938 -5.793 11.606 454 HG23 VAL 59 3HG2 VAL 59 -2.879 -7.178 11.067 455 H ASP 60 H ASP 60 1.939 -8.965 10.774 456 HA ASP 60 HA ASP 60 4.083 -8.169 9.034 457 HB2 ASP 60 2HB ASP 60 4.384 -9.970 10.609 458 HB3 ASP 60 3HB ASP 60 2.977 -10.834 9.971 459 H ILE 61 H ILE 61 4.369 -8.705 6.871 460 HA ILE 61 HA ILE 61 1.998 -9.710 5.378 461 HB ILE 61 HB ILE 61 2.423 -8.174 3.644 462 HG12 ILE 61 2HG1 ILE 61 4.866 -7.310 5.230 463 HG13 ILE 61 3HG1 ILE 61 4.862 -8.124 3.655 464 HG21 ILE 61 1HG2 ILE 61 1.722 -6.147 4.665 465 HG22 ILE 61 2HG2 ILE 61 1.203 -7.396 5.806 466 HG23 ILE 61 3HG2 ILE 61 2.680 -6.471 6.135 467 HD11 ILE 61 1HD1 ILE 61 5.226 -5.824 3.266 468 HD12 ILE 61 2HD1 ILE 61 3.547 -6.233 2.753 469 HD13 ILE 61 3HD1 ILE 61 3.847 -5.360 4.289 470 H GLU 62 H GLU 62 5.299 -10.186 6.044 471 HA GLU 62 HA GLU 62 6.354 -11.099 3.634 472 HB2 GLU 62 2HB GLU 62 7.558 -10.822 5.848 473 HB3 GLU 62 3HB GLU 62 6.885 -12.381 6.345 474 HG2 GLU 62 2HG GLU 62 7.985 -13.476 4.412 475 HG3 GLU 62 3HG GLU 62 8.544 -11.907 3.825 476 H ALA 63 H ALA 63 6.094 -12.895 2.348 477 HA ALA 63 HA ALA 63 3.871 -14.683 3.077 478 HB1 ALA 63 1HB ALA 63 4.072 -15.448 0.760 479 HB2 ALA 63 2HB ALA 63 3.931 -13.676 0.845 480 HB3 ALA 63 3HB ALA 63 5.515 -14.434 0.530 481 H GLN 64 H GLN 64 5.115 -15.664 4.875 482 HA GLN 64 HA GLN 64 6.285 -18.154 3.865 483 HB2 GLN 64 2HB GLN 64 8.105 -16.180 4.525 484 HB3 GLN 64 3HB GLN 64 7.854 -16.924 6.094 485 HG2 GLN 64 2HG GLN 64 9.545 -18.284 5.377 486 HG3 GLN 64 3HG GLN 64 8.208 -19.186 4.661 487 HE21 GLN 64 1HE2 GLN 64 10.393 -16.401 3.857 488 HE22 GLN 64 2HE2 GLN 64 10.606 -16.915 2.184 489 H LEU 65 H LEU 65 6.035 -19.870 5.482 490 HA LEU 65 HA LEU 65 4.335 -19.187 7.794 491 HB2 LEU 65 2HB LEU 65 5.103 -21.729 6.464 492 HB3 LEU 65 3HB LEU 65 5.230 -21.783 8.219 493 HG LEU 65 HG LEU 65 2.825 -20.647 8.154 494 HD11 LEU 65 1HD1 LEU 65 2.781 -20.491 5.658 495 HD12 LEU 65 2HD1 LEU 65 2.904 -22.263 5.565 496 HD13 LEU 65 3HD1 LEU 65 1.475 -21.507 6.300 497 HD21 LEU 65 1HD2 LEU 65 3.354 -22.756 9.246 498 HD22 LEU 65 2HD2 LEU 65 1.861 -22.915 8.311 499 HD23 LEU 65 3HD2 LEU 65 3.378 -23.601 7.680 500 HA PRO 66 HA PRO 66 8.127 -20.326 10.269 501 HB2 PRO 66 2HB PRO 66 10.528 -21.078 9.227 502 HB3 PRO 66 3HB PRO 66 9.138 -22.198 9.325 503 HG2 PRO 66 2HG PRO 66 9.967 -20.513 6.931 504 HG3 PRO 66 3HG PRO 66 9.667 -22.282 6.980 505 HD2 PRO 66 2HD PRO 66 7.733 -20.567 6.212 506 HD3 PRO 66 3HD PRO 66 7.340 -21.973 7.239 507 H SER 67 H SER 67 7.712 -17.975 10.399 508 HA SER 67 HA SER 67 10.300 -16.552 10.126 509 HB2 SER 67 2HB SER 67 7.522 -15.398 9.613 510 HB3 SER 67 3HB SER 67 9.028 -14.460 9.729 511 HG SER 67 HG SER 67 8.988 -14.858 7.619 512 H GLU 68 H GLU 68 10.962 -15.950 12.157 513 HA GLU 68 HA GLU 68 8.984 -16.155 14.350 514 HB2 GLU 68 2HB GLU 68 11.354 -17.384 14.201 515 HB3 GLU 68 3HB GLU 68 11.955 -15.850 14.817 516 HG2 GLU 68 2HG GLU 68 9.585 -16.710 16.326 517 HG3 GLU 68 3HG GLU 68 10.728 -18.040 16.219 518 H SER 69 H SER 69 10.376 -14.342 16.170 519 HA SER 69 HA SER 69 9.403 -11.835 14.987 520 HB2 SER 69 2HB SER 69 8.764 -12.650 17.304 521 HB3 SER 69 3HB SER 69 10.463 -12.442 17.780 522 HG SER 69 HG SER 69 10.180 -10.243 16.937 Start of MODEL 22 1 H1 MET 1 H1 MET 1 -25.676 39.723 -12.358 2 H2 MET 1 H2 MET 1 -24.414 40.014 -13.376 3 H3 MET 1 H3 MET 1 -24.135 39.763 -11.776 4 HA MET 1 HA MET 1 -23.940 42.098 -12.262 5 HB2 MET 1 2HB MET 1 -26.788 41.732 -13.274 6 HB3 MET 1 3HB MET 1 -26.019 43.301 -12.995 7 HG2 MET 1 2HG MET 1 -24.320 42.834 -14.670 8 HG3 MET 1 3HG MET 1 -25.022 41.235 -14.981 9 HE1 MET 1 1HE MET 1 -24.461 43.855 -17.028 10 HE2 MET 1 2HE MET 1 -24.888 42.223 -17.603 11 HE3 MET 1 3HE MET 1 -25.842 43.633 -18.125 12 H LYS 2 H LYS 2 -23.988 40.893 -9.794 13 HA LYS 2 HA LYS 2 -25.585 42.735 -8.320 14 HB2 LYS 2 2HB LYS 2 -27.264 40.862 -8.969 15 HB3 LYS 2 3HB LYS 2 -26.419 39.831 -7.839 16 HG2 LYS 2 2HG LYS 2 -27.539 42.574 -7.067 17 HG3 LYS 2 3HG LYS 2 -28.531 41.128 -7.122 18 HD2 LYS 2 2HD LYS 2 -28.049 40.940 -4.968 19 HD3 LYS 2 3HD LYS 2 -26.558 40.177 -5.525 20 HE2 LYS 2 2HE LYS 2 -25.361 42.322 -5.281 21 HE3 LYS 2 3HE LYS 2 -26.873 43.157 -4.910 22 HZ1 LYS 2 1HZ LYS 2 -25.511 42.559 -2.955 23 HZ2 LYS 2 2HZ LYS 2 -27.028 41.909 -2.885 24 HZ3 LYS 2 3HZ LYS 2 -25.721 40.986 -3.274 25 H GLN 3 H GLN 3 -24.220 39.420 -7.975 26 HA GLN 3 HA GLN 3 -21.889 40.438 -6.649 27 HB2 GLN 3 2HB GLN 3 -24.081 39.462 -5.036 28 HB3 GLN 3 3HB GLN 3 -22.802 38.253 -4.959 29 HG2 GLN 3 2HG GLN 3 -21.184 39.882 -4.205 30 HG3 GLN 3 3HG GLN 3 -22.272 41.230 -4.572 31 HE21 GLN 3 1HE2 GLN 3 -21.006 39.756 -1.938 32 HE22 GLN 3 2HE2 GLN 3 -22.382 39.927 -0.864 33 H ASP 4 H ASP 4 -20.799 37.874 -5.953 34 HA ASP 4 HA ASP 4 -21.136 36.205 -8.327 35 HB2 ASP 4 2HB ASP 4 -19.482 38.153 -8.797 36 HB3 ASP 4 3HB ASP 4 -18.423 37.389 -7.607 37 H GLY 5 H GLY 5 -19.853 34.131 -7.963 38 HA2 GLY 5 2HA GLY 5 -18.429 33.464 -5.692 39 HA3 GLY 5 3HA GLY 5 -20.129 33.270 -5.216 40 H GLU 6 H GLU 6 -17.966 31.197 -5.621 41 HA GLU 6 HA GLU 6 -19.597 29.346 -7.194 42 HB2 GLU 6 2HB GLU 6 -16.599 29.795 -7.599 43 HB3 GLU 6 3HB GLU 6 -17.475 28.351 -8.122 44 HG2 GLU 6 2HG GLU 6 -18.955 29.810 -9.535 45 HG3 GLU 6 3HG GLU 6 -17.912 31.187 -9.130 46 H GLU 7 H GLU 7 -19.187 27.090 -6.371 47 HA GLU 7 HA GLU 7 -17.180 26.694 -4.401 48 HB2 GLU 7 2HB GLU 7 -18.997 27.667 -2.976 49 HB3 GLU 7 3HB GLU 7 -20.106 26.408 -3.551 50 HG2 GLU 7 2HG GLU 7 -18.660 24.660 -2.593 51 HG3 GLU 7 3HG GLU 7 -17.436 25.863 -2.170 52 H GLY 8 H GLY 8 -16.539 24.612 -4.793 53 HA2 GLY 8 2HA GLY 8 -18.353 22.484 -5.481 54 HA3 GLY 8 3HA GLY 8 -17.379 23.023 -6.872 55 H THR 9 H THR 9 -17.198 20.417 -5.459 56 HA THR 9 HA THR 9 -14.346 20.425 -4.799 57 HB THR 9 HB THR 9 -14.864 19.030 -2.746 58 HG1 THR 9 1HG THR 9 -17.029 18.549 -3.192 59 HG21 THR 9 1HG2 THR 9 -14.265 21.472 -2.586 60 HG22 THR 9 2HG2 THR 9 -16.005 21.844 -2.536 61 HG23 THR 9 3HG2 THR 9 -15.274 20.870 -1.253 62 H GLU 10 H GLU 10 -13.913 17.777 -4.291 63 HA GLU 10 HA GLU 10 -15.590 16.178 -6.086 64 HB2 GLU 10 2HB GLU 10 -13.556 17.374 -7.273 65 HB3 GLU 10 3HB GLU 10 -12.573 16.180 -6.408 66 HG2 GLU 10 2HG GLU 10 -13.894 14.355 -7.472 67 HG3 GLU 10 3HG GLU 10 -14.916 15.563 -8.266 68 H GLU 11 H GLU 11 -15.141 13.864 -5.677 69 HA GLU 11 HA GLU 11 -14.301 13.414 -2.883 70 HB2 GLU 11 2HB GLU 11 -15.142 11.077 -3.347 71 HB3 GLU 11 3HB GLU 11 -16.344 12.353 -3.288 72 HG2 GLU 11 2HG GLU 11 -15.238 11.515 -5.983 73 HG3 GLU 11 3HG GLU 11 -16.408 10.491 -5.160 74 H ASP 12 H ASP 12 -12.408 12.454 -2.333 75 HA ASP 12 HA ASP 12 -10.710 11.168 -4.410 76 HB2 ASP 12 2HB ASP 12 -10.357 13.663 -4.448 77 HB3 ASP 12 3HB ASP 12 -9.991 13.627 -2.726 78 H THR 13 H THR 13 -11.821 9.648 -2.590 79 HA THR 13 HA THR 13 -9.517 9.113 -0.795 80 HB THR 13 HB THR 13 -11.174 10.794 0.179 81 HG1 THR 13 1HG THR 13 -10.278 8.558 1.646 82 HG21 THR 13 1HG2 THR 13 -13.233 9.447 -0.068 83 HG22 THR 13 2HG2 THR 13 -12.586 8.264 1.093 84 HG23 THR 13 3HG2 THR 13 -12.909 9.930 1.606 85 H GLU 14 H GLU 14 -11.764 7.716 -2.677 86 HA GLU 14 HA GLU 14 -12.495 5.390 -1.230 87 HB2 GLU 14 2HB GLU 14 -12.332 6.170 -4.157 88 HB3 GLU 14 3HB GLU 14 -12.842 4.529 -3.661 89 HG2 GLU 14 2HG GLU 14 -14.582 5.538 -2.184 90 HG3 GLU 14 3HG GLU 14 -14.123 7.148 -2.755 91 H GLU 15 H GLU 15 -9.829 5.830 -3.646 92 HA GLU 15 HA GLU 15 -8.609 3.331 -2.553 93 HB2 GLU 15 2HB GLU 15 -7.987 2.858 -4.942 94 HB3 GLU 15 3HB GLU 15 -9.685 2.657 -4.527 95 HG2 GLU 15 2HG GLU 15 -10.379 4.537 -5.733 96 HG3 GLU 15 3HG GLU 15 -8.805 5.310 -5.693 97 H LYS 16 H LYS 16 -7.168 4.688 -1.268 98 HA LYS 16 HA LYS 16 -5.117 6.009 -2.972 99 HB2 LYS 16 2HB LYS 16 -4.762 7.538 -0.919 100 HB3 LYS 16 3HB LYS 16 -6.072 7.879 -2.042 101 HG2 LYS 16 2HG LYS 16 -7.726 6.936 -0.569 102 HG3 LYS 16 3HG LYS 16 -6.457 6.334 0.507 103 HD2 LYS 16 2HD LYS 16 -7.603 8.412 1.322 104 HD3 LYS 16 3HD LYS 16 -5.848 8.608 1.156 105 HE2 LYS 16 2HE LYS 16 -6.036 9.933 -0.791 106 HE3 LYS 16 3HE LYS 16 -7.646 9.329 -1.164 107 HZ1 LYS 16 1HZ LYS 16 -8.501 10.565 0.716 108 HZ2 LYS 16 2HZ LYS 16 -6.999 11.224 0.997 109 HZ3 LYS 16 3HZ LYS 16 -7.818 11.512 -0.415 110 H CYS 17 H CYS 17 -3.164 5.676 -2.684 111 HA CYS 17 HA CYS 17 -1.859 3.486 -1.263 112 HB2 CYS 17 2HB CYS 17 -1.178 4.708 -3.382 113 HB3 CYS 17 3HB CYS 17 -0.963 6.141 -2.415 114 H THR 18 H THR 18 -2.027 3.520 0.988 115 HA THR 18 HA THR 18 -2.255 5.948 2.449 116 HB THR 18 HB THR 18 -2.792 3.435 3.047 117 HG1 THR 18 1HG THR 18 -3.331 5.270 4.298 118 HG21 THR 18 1HG2 THR 18 -0.328 2.814 3.096 119 HG22 THR 18 2HG2 THR 18 -0.179 3.827 4.548 120 HG23 THR 18 3HG2 THR 18 -1.254 2.419 4.570 121 H ILE 19 H ILE 19 0.576 4.451 1.028 122 HA ILE 19 HA ILE 19 2.446 5.504 2.948 123 HB ILE 19 HB ILE 19 2.590 4.087 0.287 124 HG12 ILE 19 2HG1 ILE 19 3.668 3.193 2.982 125 HG13 ILE 19 3HG1 ILE 19 1.952 3.010 2.614 126 HG21 ILE 19 1HG2 ILE 19 4.535 5.515 0.296 127 HG22 ILE 19 2HG2 ILE 19 4.862 5.152 2.007 128 HG23 ILE 19 3HG2 ILE 19 5.079 3.900 0.766 129 HD11 ILE 19 1HD1 ILE 19 4.185 1.867 0.912 130 HD12 ILE 19 2HD1 ILE 19 3.182 0.972 2.069 131 HD13 ILE 19 3HD1 ILE 19 2.442 1.703 0.623 132 H CYS 20 H CYS 20 1.567 6.336 -0.498 133 HA CYS 20 HA CYS 20 3.062 8.944 -0.216 134 HB2 CYS 20 2HB CYS 20 2.646 9.176 -2.570 135 HB3 CYS 20 3HB CYS 20 3.530 7.688 -2.218 136 H LEU 21 H LEU 21 0.113 7.799 0.761 137 HA LEU 21 HA LEU 21 -1.873 8.697 1.210 138 HB2 LEU 21 2HB LEU 21 -0.057 11.082 1.648 139 HB3 LEU 21 3HB LEU 21 -1.722 10.995 2.232 140 HG LEU 21 HG LEU 21 0.393 8.927 2.969 141 HD11 LEU 21 1HD1 LEU 21 -0.497 11.390 4.504 142 HD12 LEU 21 2HD1 LEU 21 0.572 10.098 5.112 143 HD13 LEU 21 3HD1 LEU 21 1.100 11.115 3.760 144 HD21 LEU 21 1HD2 LEU 21 -1.181 8.435 4.823 145 HD22 LEU 21 2HD2 LEU 21 -2.322 9.646 4.191 146 HD23 LEU 21 3HD2 LEU 21 -1.953 8.171 3.266 147 H SER 22 H SER 22 -1.690 8.439 -1.464 148 HA SER 22 HA SER 22 -3.217 10.787 -2.467 149 HB2 SER 22 2HB SER 22 -0.832 9.471 -3.840 150 HB3 SER 22 3HB SER 22 -1.928 10.647 -4.596 151 HG SER 22 HG SER 22 -0.318 11.095 -2.289 152 H ILE 23 H ILE 23 -4.704 10.209 -4.213 153 HA ILE 23 HA ILE 23 -5.744 7.561 -4.109 154 HB ILE 23 HB ILE 23 -6.231 10.117 -5.654 155 HG12 ILE 23 2HG1 ILE 23 -7.027 9.811 -3.277 156 HG13 ILE 23 3HG1 ILE 23 -8.269 10.198 -4.456 157 HG21 ILE 23 1HG2 ILE 23 -8.264 9.078 -6.658 158 HG22 ILE 23 2HG2 ILE 23 -6.734 8.557 -7.349 159 HG23 ILE 23 3HG2 ILE 23 -7.605 7.472 -6.250 160 HD11 ILE 23 1HD1 ILE 23 -8.911 8.424 -2.795 161 HD12 ILE 23 2HD1 ILE 23 -9.153 7.993 -4.492 162 HD13 ILE 23 3HD1 ILE 23 -7.771 7.360 -3.578 163 H LEU 24 H LEU 24 -5.938 6.195 -5.947 164 HA LEU 24 HA LEU 24 -3.446 5.951 -7.507 165 HB2 LEU 24 2HB LEU 24 -5.761 4.081 -6.816 166 HB3 LEU 24 3HB LEU 24 -4.280 3.570 -7.632 167 HG LEU 24 HG LEU 24 -4.221 4.830 -4.845 168 HD11 LEU 24 1HD1 LEU 24 -5.601 2.837 -4.841 169 HD12 LEU 24 2HD1 LEU 24 -4.305 1.929 -5.659 170 HD13 LEU 24 3HD1 LEU 24 -4.058 2.580 -4.001 171 HD21 LEU 24 1HD2 LEU 24 -2.106 4.974 -5.838 172 HD22 LEU 24 2HD2 LEU 24 -2.051 3.444 -4.904 173 HD23 LEU 24 3HD2 LEU 24 -2.266 3.395 -6.658 174 H GLU 25 H GLU 25 -4.920 4.125 -9.400 175 HA GLU 25 HA GLU 25 -7.131 5.511 -10.429 176 HB2 GLU 25 2HB GLU 25 -6.285 5.954 -12.693 177 HB3 GLU 25 3HB GLU 25 -5.352 6.875 -11.502 178 HG2 GLU 25 2HG GLU 25 -3.561 5.183 -11.587 179 HG3 GLU 25 3HG GLU 25 -4.471 4.240 -12.766 180 H GLU 26 H GLU 26 -7.952 4.228 -12.378 181 HA GLU 26 HA GLU 26 -7.538 1.350 -11.924 182 HB2 GLU 26 2HB GLU 26 -9.814 2.263 -12.271 183 HB3 GLU 26 3HB GLU 26 -9.354 2.828 -13.883 184 HG2 GLU 26 2HG GLU 26 -8.881 0.465 -14.557 185 HG3 GLU 26 3HG GLU 26 -9.281 -0.073 -12.925 186 H GLY 27 H GLY 27 -5.329 1.153 -12.577 187 HA2 GLY 27 2HA GLY 27 -4.769 0.249 -15.102 188 HA3 GLY 27 3HA GLY 27 -4.548 1.999 -15.275 189 H GLU 28 H GLU 28 -3.591 2.397 -12.523 190 HA GLU 28 HA GLU 28 -0.818 2.098 -12.958 191 HB2 GLU 28 2HB GLU 28 -2.650 3.131 -10.891 192 HB3 GLU 28 3HB GLU 28 -1.213 2.442 -10.176 193 HG2 GLU 28 2HG GLU 28 -0.939 4.344 -12.524 194 HG3 GLU 28 3HG GLU 28 -1.219 4.960 -10.886 195 H ASP 29 H ASP 29 0.695 1.043 -11.597 196 HA ASP 29 HA ASP 29 0.027 -1.807 -11.183 197 HB2 ASP 29 2HB ASP 29 2.579 -0.217 -11.227 198 HB3 ASP 29 3HB ASP 29 2.520 -1.693 -10.268 199 H VAL 30 H VAL 30 -0.580 -2.595 -9.316 200 HA VAL 30 HA VAL 30 -0.205 -1.066 -6.817 201 HB VAL 30 HB VAL 30 -2.551 -1.445 -6.232 202 HG11 VAL 30 1HG1 VAL 30 -2.312 0.080 -8.849 203 HG12 VAL 30 2HG1 VAL 30 -3.526 0.315 -7.587 204 HG13 VAL 30 3HG1 VAL 30 -1.826 0.703 -7.261 205 HG21 VAL 30 1HG2 VAL 30 -3.053 -3.392 -7.687 206 HG22 VAL 30 2HG2 VAL 30 -4.218 -2.077 -7.911 207 HG23 VAL 30 3HG2 VAL 30 -2.948 -2.337 -9.118 208 H ARG 31 H ARG 31 -1.282 -2.668 -4.998 209 HA ARG 31 HA ARG 31 -0.270 -5.369 -5.500 210 HB2 ARG 31 2HB ARG 31 1.335 -3.179 -4.513 211 HB3 ARG 31 3HB ARG 31 1.084 -4.247 -3.155 212 HG2 ARG 31 2HG ARG 31 1.995 -5.361 -5.843 213 HG3 ARG 31 3HG ARG 31 3.122 -4.546 -4.763 214 HD2 ARG 31 2HD ARG 31 3.502 -6.536 -3.927 215 HD3 ARG 31 3HD ARG 31 2.052 -6.231 -2.959 216 HE ARG 31 HE ARG 31 1.580 -7.507 -5.547 217 HH11 ARG 31 1HH1 ARG 31 1.847 -10.819 -4.372 218 HH12 ARG 31 2HH1 ARG 31 1.543 -9.825 -5.747 219 HH21 ARG 31 1HH2 ARG 31 2.395 -9.824 -2.288 220 HH22 ARG 31 2HH2 ARG 31 2.241 -8.117 -2.120 221 H ARG 32 H ARG 32 -0.185 -6.510 -3.173 222 HA ARG 32 HA ARG 32 -2.349 -5.500 -1.493 223 HB2 ARG 32 2HB ARG 32 -3.452 -7.042 -3.142 224 HB3 ARG 32 3HB ARG 32 -2.259 -8.282 -2.778 225 HG2 ARG 32 2HG ARG 32 -4.387 -8.771 -1.666 226 HG3 ARG 32 3HG ARG 32 -3.096 -8.530 -0.506 227 HD2 ARG 32 2HD ARG 32 -4.785 -7.344 0.475 228 HD3 ARG 32 3HD ARG 32 -3.986 -6.052 -0.371 229 HE ARG 32 HE ARG 32 -6.595 -7.217 -0.972 230 HH11 ARG 32 1HH1 ARG 32 -7.298 -4.981 -3.585 231 HH12 ARG 32 2HH1 ARG 32 -7.924 -6.238 -2.589 232 HH21 ARG 32 1HH2 ARG 32 -5.023 -4.352 -3.413 233 HH22 ARG 32 2HH2 ARG 32 -4.095 -4.919 -2.099 234 H LEU 33 H LEU 33 -2.295 -6.191 0.608 235 HA LEU 33 HA LEU 33 -0.186 -7.979 1.463 236 HB2 LEU 33 2HB LEU 33 -0.088 -6.248 3.476 237 HB3 LEU 33 3HB LEU 33 0.945 -6.034 2.074 238 HG LEU 33 HG LEU 33 -1.764 -4.658 2.178 239 HD11 LEU 33 1HD1 LEU 33 -0.638 -4.206 4.341 240 HD12 LEU 33 2HD1 LEU 33 0.847 -3.741 3.482 241 HD13 LEU 33 3HD1 LEU 33 -0.618 -2.760 3.326 242 HD21 LEU 33 1HD2 LEU 33 -0.452 -2.870 0.982 243 HD22 LEU 33 2HD2 LEU 33 0.928 -3.989 0.929 244 HD23 LEU 33 3HD2 LEU 33 -0.580 -4.353 0.064 245 HA PRO 34 HA PRO 34 -3.162 -10.093 3.413 246 HB2 PRO 34 2HB PRO 34 -2.057 -10.957 5.794 247 HB3 PRO 34 3HB PRO 34 -1.575 -11.554 4.176 248 HG2 PRO 34 2HG PRO 34 -0.230 -9.439 5.867 249 HG3 PRO 34 3HG PRO 34 0.515 -10.782 4.937 250 HD2 PRO 34 2HD PRO 34 0.376 -8.211 4.024 251 HD3 PRO 34 3HD PRO 34 0.322 -9.579 2.915 252 H CYS 35 H CYS 35 -1.894 -7.420 5.337 253 HA CYS 35 HA CYS 35 -4.518 -7.107 6.820 254 HB2 CYS 35 2HB CYS 35 -2.675 -6.705 8.218 255 HB3 CYS 35 3HB CYS 35 -1.867 -5.698 6.999 256 H MET 36 H MET 36 -4.858 -7.366 4.266 257 HA MET 36 HA MET 36 -5.966 -6.422 2.537 258 HB2 MET 36 2HB MET 36 -7.551 -5.821 5.062 259 HB3 MET 36 3HB MET 36 -8.191 -5.718 3.416 260 HG2 MET 36 2HG MET 36 -7.183 -8.167 3.194 261 HG3 MET 36 3HG MET 36 -7.315 -8.149 4.950 262 HE1 MET 36 1HE MET 36 -10.783 -8.050 1.870 263 HE2 MET 36 2HE MET 36 -9.754 -6.618 2.063 264 HE3 MET 36 3HE MET 36 -9.048 -8.156 1.505 265 H HIS 37 H HIS 37 -4.130 -4.894 2.273 266 HA HIS 37 HA HIS 37 -5.470 -2.268 2.073 267 HB2 HIS 37 1HB HIS 37 -2.863 -2.924 3.370 268 HB3 HIS 37 2HB HIS 37 -2.923 -1.474 2.382 269 HD2 HIS 37 2HD HIS 37 -5.033 0.311 3.046 270 HE1 HIS 37 1HE HIS 37 -4.806 -0.682 7.186 271 HE2 HIS 37 2HE HIS 37 -5.674 1.026 5.486 272 H LEU 38 H LEU 38 -4.920 -1.031 0.270 273 HA LEU 38 HA LEU 38 -3.812 -2.606 -1.990 274 HB2 LEU 38 2HB LEU 38 -6.320 -2.079 -1.879 275 HB3 LEU 38 3HB LEU 38 -5.909 -0.377 -1.978 276 HG LEU 38 HG LEU 38 -5.398 -2.528 -4.081 277 HD11 LEU 38 1HD1 LEU 38 -7.197 -0.061 -4.067 278 HD12 LEU 38 2HD1 LEU 38 -7.034 -1.226 -5.390 279 HD13 LEU 38 3HD1 LEU 38 -7.751 -1.734 -3.850 280 HD21 LEU 38 1HD2 LEU 38 -3.563 -0.996 -4.293 281 HD22 LEU 38 2HD2 LEU 38 -4.752 -0.523 -5.517 282 HD23 LEU 38 3HD2 LEU 38 -4.633 0.392 -4.000 283 H PHE 39 H PHE 39 -1.742 -1.849 -2.171 284 HA PHE 39 HA PHE 39 -1.275 1.105 -1.934 285 HB2 PHE 39 2HB PHE 39 0.525 -1.272 -1.326 286 HB3 PHE 39 3HB PHE 39 1.101 0.378 -1.394 287 HD1 PHE 39 1HD PHE 39 -1.975 0.916 0.194 288 HD2 PHE 39 2HD PHE 39 1.830 -0.972 0.865 289 HE1 PHE 39 1HE PHE 39 -2.354 1.001 2.620 290 HE2 PHE 39 2HE PHE 39 1.464 -0.863 3.302 291 HZ PHE 39 HZ PHE 39 -0.660 0.092 4.194 292 H HIS 40 H HIS 40 0.605 1.815 -3.316 293 HA HIS 40 HA HIS 40 0.466 0.852 -6.071 294 HB2 HIS 40 1HB HIS 40 2.348 2.614 -4.482 295 HB3 HIS 40 2HB HIS 40 2.758 2.099 -6.106 296 HD2 HIS 40 2HD HIS 40 0.775 2.667 -8.058 297 HE1 HIS 40 1HE HIS 40 0.633 6.606 -6.476 298 HE2 HIS 40 2HE HIS 40 0.290 5.132 -8.561 299 H GLN 41 H GLN 41 2.087 -0.378 -7.157 300 HA GLN 41 HA GLN 41 3.362 -2.444 -5.622 301 HB2 GLN 41 2HB GLN 41 2.352 -2.474 -7.981 302 HB3 GLN 41 3HB GLN 41 3.871 -1.744 -8.526 303 HG2 GLN 41 2HG GLN 41 5.131 -3.696 -7.814 304 HG3 GLN 41 3HG GLN 41 3.732 -4.365 -6.977 305 HE21 GLN 41 1HE2 GLN 41 1.628 -4.364 -8.712 306 HE22 GLN 41 2HE2 GLN 41 2.109 -5.058 -10.247 307 H VAL 42 H VAL 42 4.349 0.702 -5.797 308 HA VAL 42 HA VAL 42 7.237 -0.035 -5.809 309 HB VAL 42 HB VAL 42 6.609 1.144 -7.799 310 HG11 VAL 42 1HG1 VAL 42 4.714 2.519 -7.058 311 HG12 VAL 42 2HG1 VAL 42 5.821 3.542 -6.094 312 HG13 VAL 42 3HG1 VAL 42 5.946 3.485 -7.853 313 HG21 VAL 42 1HG2 VAL 42 8.289 2.895 -5.954 314 HG22 VAL 42 2HG2 VAL 42 8.863 1.457 -6.827 315 HG23 VAL 42 3HG2 VAL 42 8.332 2.887 -7.729 316 H CYS 43 H CYS 43 4.867 2.386 -4.529 317 HA CYS 43 HA CYS 43 6.305 3.274 -2.244 318 HB2 CYS 43 2HB CYS 43 3.358 2.558 -2.399 319 HB3 CYS 43 3HB CYS 43 4.149 3.703 -1.326 320 H VAL 44 H VAL 44 4.392 0.211 -2.767 321 HA VAL 44 HA VAL 44 4.832 -0.556 -0.038 322 HB VAL 44 HB VAL 44 2.889 -1.186 -1.527 323 HG11 VAL 44 1HG1 VAL 44 3.118 -3.090 -2.935 324 HG12 VAL 44 2HG1 VAL 44 4.428 -1.983 -3.409 325 HG13 VAL 44 3HG1 VAL 44 4.792 -3.390 -2.396 326 HG21 VAL 44 1HG2 VAL 44 2.530 -3.236 -0.400 327 HG22 VAL 44 2HG2 VAL 44 4.270 -3.545 -0.211 328 HG23 VAL 44 3HG2 VAL 44 3.523 -2.247 0.712 329 H ASP 45 H ASP 45 6.775 -0.823 -2.929 330 HA ASP 45 HA ASP 45 8.145 -3.268 -2.206 331 HB2 ASP 45 2HB ASP 45 8.137 -2.329 -4.510 332 HB3 ASP 45 3HB ASP 45 9.093 -0.949 -3.947 333 H GLN 46 H GLN 46 9.048 0.199 -2.033 334 HA GLN 46 HA GLN 46 11.217 -0.195 -0.205 335 HB2 GLN 46 2HB GLN 46 9.447 2.161 -0.977 336 HB3 GLN 46 3HB GLN 46 10.603 2.346 0.341 337 HG2 GLN 46 2HG GLN 46 11.490 1.304 -2.374 338 HG3 GLN 46 3HG GLN 46 11.352 3.036 -2.030 339 HE21 GLN 46 1HE2 GLN 46 13.678 3.424 -2.195 340 HE22 GLN 46 2HE2 GLN 46 14.720 2.814 -0.914 341 H ALA 47 H ALA 47 7.731 0.119 0.411 342 HA ALA 47 HA ALA 47 7.952 0.404 3.231 343 HB1 ALA 47 1HB ALA 47 5.898 -1.218 1.684 344 HB2 ALA 47 2HB ALA 47 5.706 -0.512 3.302 345 HB3 ALA 47 3HB ALA 47 5.864 0.549 1.877 346 H LEU 48 H LEU 48 7.635 -2.615 1.292 347 HA LEU 48 HA LEU 48 7.781 -4.398 3.440 348 HB2 LEU 48 2HB LEU 48 6.895 -4.772 1.144 349 HB3 LEU 48 3HB LEU 48 8.535 -4.844 0.508 350 HG LEU 48 HG LEU 48 7.666 -6.686 2.762 351 HD11 LEU 48 1HD1 LEU 48 6.919 -8.338 1.098 352 HD12 LEU 48 2HD1 LEU 48 5.925 -6.876 1.034 353 HD13 LEU 48 3HD1 LEU 48 7.170 -7.149 -0.203 354 HD21 LEU 48 1HD2 LEU 48 10.079 -6.749 2.100 355 HD22 LEU 48 2HD2 LEU 48 9.267 -8.254 1.662 356 HD23 LEU 48 3HD2 LEU 48 9.607 -7.034 0.419 357 H ILE 49 H ILE 49 10.428 -3.280 1.228 358 HA ILE 49 HA ILE 49 12.404 -4.898 2.496 359 HB ILE 49 HB ILE 49 14.047 -3.629 1.337 360 HG12 ILE 49 2HG1 ILE 49 13.068 -1.589 -0.102 361 HG13 ILE 49 3HG1 ILE 49 12.100 -1.438 1.363 362 HG21 ILE 49 1HG2 ILE 49 13.328 -3.860 -0.939 363 HG22 ILE 49 2HG2 ILE 49 12.648 -5.177 0.030 364 HG23 ILE 49 3HG2 ILE 49 11.626 -3.818 -0.473 365 HD11 ILE 49 1HD1 ILE 49 15.107 -1.292 1.049 366 HD12 ILE 49 2HD1 ILE 49 14.017 -0.122 1.821 367 HD13 ILE 49 3HD1 ILE 49 14.402 -1.635 2.635 368 H THR 50 H THR 50 11.148 -1.625 3.263 369 HA THR 50 HA THR 50 13.170 -0.995 5.173 370 HB THR 50 HB THR 50 10.300 -0.066 4.794 371 HG1 THR 50 1HG THR 50 11.723 0.709 3.316 372 HG21 THR 50 1HG2 THR 50 10.822 1.772 6.372 373 HG22 THR 50 2HG2 THR 50 10.716 0.206 7.187 374 HG23 THR 50 3HG2 THR 50 12.312 0.928 6.851 375 H ASN 51 H ASN 51 9.934 -2.597 5.502 376 HA ASN 51 HA ASN 51 11.006 -4.508 7.278 377 HB2 ASN 51 2HB ASN 51 9.958 -2.064 8.540 378 HB3 ASN 51 3HB ASN 51 8.895 -3.406 8.894 379 HD21 ASN 51 1HD2 ASN 51 12.477 -3.750 8.499 380 HD22 ASN 51 2HD2 ASN 51 12.704 -4.256 10.162 381 H LYS 52 H LYS 52 9.604 -6.312 7.262 382 HA LYS 52 HA LYS 52 7.389 -6.102 5.366 383 HB2 LYS 52 2HB LYS 52 8.402 -8.478 7.008 384 HB3 LYS 52 3HB LYS 52 7.176 -8.518 5.746 385 HG2 LYS 52 2HG LYS 52 8.893 -9.105 4.415 386 HG3 LYS 52 3HG LYS 52 9.138 -7.367 4.306 387 HD2 LYS 52 2HD LYS 52 10.902 -7.450 5.980 388 HD3 LYS 52 3HD LYS 52 10.595 -9.169 6.291 389 HE2 LYS 52 2HE LYS 52 11.352 -8.110 3.535 390 HE3 LYS 52 3HE LYS 52 12.573 -8.550 4.738 391 HZ1 LYS 52 1HZ LYS 52 10.516 -10.460 3.841 392 HZ2 LYS 52 2HZ LYS 52 12.062 -10.398 3.231 393 HZ3 LYS 52 3HZ LYS 52 11.761 -10.760 4.785 394 H LYS 53 H LYS 53 6.293 -4.406 6.914 395 HA LYS 53 HA LYS 53 4.158 -5.956 8.161 396 HB2 LYS 53 2HB LYS 53 4.118 -4.212 10.076 397 HB3 LYS 53 3HB LYS 53 5.151 -5.636 10.218 398 HG2 LYS 53 2HG LYS 53 7.114 -4.429 9.939 399 HG3 LYS 53 3HG LYS 53 6.314 -3.067 9.118 400 HD2 LYS 53 2HD LYS 53 5.288 -2.305 11.132 401 HD3 LYS 53 3HD LYS 53 5.743 -3.763 12.029 402 HE2 LYS 53 2HE LYS 53 7.823 -1.926 10.788 403 HE3 LYS 53 3HE LYS 53 7.137 -1.589 12.385 404 HZ1 LYS 53 1HZ LYS 53 7.959 -3.707 13.155 405 HZ2 LYS 53 2HZ LYS 53 8.529 -4.085 11.646 406 HZ3 LYS 53 3HZ LYS 53 9.209 -2.883 12.440 407 H CYS 54 H CYS 54 2.215 -4.873 8.130 408 HA CYS 54 HA CYS 54 1.799 -2.812 6.090 409 HB2 CYS 54 2HB CYS 54 0.205 -4.596 6.587 410 HB3 CYS 54 3HB CYS 54 0.059 -4.040 8.258 411 HA PRO 55 HA PRO 55 3.188 0.304 8.918 412 HB2 PRO 55 2HB PRO 55 2.349 2.611 7.623 413 HB3 PRO 55 3HB PRO 55 3.762 1.624 7.143 414 HG2 PRO 55 2HG PRO 55 0.960 1.547 6.001 415 HG3 PRO 55 3HG PRO 55 2.518 1.554 5.120 416 HD2 PRO 55 2HD PRO 55 1.128 -0.741 5.582 417 HD3 PRO 55 3HD PRO 55 2.922 -0.719 5.651 418 H ILE 56 H ILE 56 -0.217 0.617 7.783 419 HA ILE 56 HA ILE 56 -0.882 2.158 10.212 420 HB ILE 56 HB ILE 56 -2.700 1.321 7.923 421 HG12 ILE 56 2HG1 ILE 56 -0.839 2.578 6.945 422 HG13 ILE 56 3HG1 ILE 56 -2.327 3.491 6.893 423 HG21 ILE 56 1HG2 ILE 56 -3.887 3.506 8.577 424 HG22 ILE 56 2HG2 ILE 56 -4.074 2.166 9.696 425 HG23 ILE 56 3HG2 ILE 56 -2.929 3.464 10.074 426 HD11 ILE 56 1HD1 ILE 56 -0.414 4.912 7.490 427 HD12 ILE 56 2HD1 ILE 56 -1.594 4.874 8.807 428 HD13 ILE 56 3HD1 ILE 56 -0.093 3.922 8.926 429 H CYS 57 H CYS 57 -0.178 -0.937 10.070 430 HA CYS 57 HA CYS 57 -2.587 -1.855 11.647 431 HB2 CYS 57 2HB CYS 57 -1.558 -3.942 9.931 432 HB3 CYS 57 3HB CYS 57 -3.183 -3.363 10.246 433 H ARG 58 H ARG 58 0.602 -2.933 10.561 434 HA ARG 58 HA ARG 58 2.477 -3.264 11.957 435 HB2 ARG 58 2HB ARG 58 1.286 -2.901 14.142 436 HB3 ARG 58 3HB ARG 58 0.644 -4.563 14.010 437 HG2 ARG 58 2HG ARG 58 2.972 -5.451 14.028 438 HG3 ARG 58 3HG ARG 58 3.590 -3.796 14.064 439 HD2 ARG 58 2HD ARG 58 3.754 -4.478 16.264 440 HD3 ARG 58 3HD ARG 58 2.243 -3.576 16.291 441 HE ARG 58 HE ARG 58 2.702 -6.473 16.550 442 HH11 ARG 58 1HH1 ARG 58 -0.591 -7.118 17.575 443 HH12 ARG 58 2HH1 ARG 58 1.009 -7.745 17.463 444 HH21 ARG 58 1HH2 ARG 58 -1.057 -4.919 16.805 445 HH22 ARG 58 2HH2 ARG 58 0.217 -3.992 16.108 446 H VAL 59 H VAL 59 -0.235 -5.370 11.307 447 HA VAL 59 HA VAL 59 0.847 -7.866 11.743 448 HB VAL 59 HB VAL 59 -0.905 -7.135 9.391 449 HG11 VAL 59 1HG1 VAL 59 -1.852 -9.415 9.695 450 HG12 VAL 59 2HG1 VAL 59 -0.141 -9.454 9.274 451 HG13 VAL 59 3HG1 VAL 59 -0.644 -9.733 10.959 452 HG21 VAL 59 1HG2 VAL 59 -1.684 -7.739 12.282 453 HG22 VAL 59 2HG2 VAL 59 -1.975 -6.213 11.413 454 HG23 VAL 59 3HG2 VAL 59 -2.832 -7.669 10.932 455 H ASP 60 H ASP 60 2.138 -9.285 10.661 456 HA ASP 60 HA ASP 60 4.180 -8.110 9.015 457 HB2 ASP 60 2HB ASP 60 4.386 -10.001 10.758 458 HB3 ASP 60 3HB ASP 60 3.775 -11.078 9.497 459 H ILE 61 H ILE 61 4.647 -8.662 6.823 460 HA ILE 61 HA ILE 61 2.301 -9.695 5.294 461 HB ILE 61 HB ILE 61 2.727 -8.082 3.612 462 HG12 ILE 61 2HG1 ILE 61 4.959 -6.953 5.345 463 HG13 ILE 61 3HG1 ILE 61 5.244 -7.974 3.926 464 HG21 ILE 61 1HG2 ILE 61 2.806 -6.517 6.205 465 HG22 ILE 61 2HG2 ILE 61 1.903 -6.139 4.716 466 HG23 ILE 61 3HG2 ILE 61 1.394 -7.480 5.757 467 HD11 ILE 61 1HD1 ILE 61 3.920 -6.416 2.567 468 HD12 ILE 61 2HD1 ILE 61 3.872 -5.294 3.961 469 HD13 ILE 61 3HD1 ILE 61 5.439 -5.735 3.232 470 H GLU 62 H GLU 62 5.587 -10.126 5.913 471 HA GLU 62 HA GLU 62 6.629 -11.155 3.523 472 HB2 GLU 62 2HB GLU 62 7.885 -10.783 5.651 473 HB3 GLU 62 3HB GLU 62 7.112 -12.208 6.346 474 HG2 GLU 62 2HG GLU 62 8.095 -13.613 4.521 475 HG3 GLU 62 3HG GLU 62 8.824 -12.161 3.821 476 H ALA 63 H ALA 63 4.961 -12.217 2.382 477 HA ALA 63 HA ALA 63 3.874 -14.718 3.437 478 HB1 ALA 63 1HB ALA 63 2.893 -14.939 1.183 479 HB2 ALA 63 2HB ALA 63 2.601 -13.314 1.837 480 HB3 ALA 63 3HB ALA 63 3.867 -13.564 0.610 481 H GLN 64 H GLN 64 4.260 -16.765 2.343 482 HA GLN 64 HA GLN 64 6.924 -17.586 2.211 483 HB2 GLN 64 2HB GLN 64 5.967 -19.681 1.315 484 HB3 GLN 64 3HB GLN 64 5.058 -19.036 2.678 485 HG2 GLN 64 2HG GLN 64 3.616 -17.903 0.652 486 HG3 GLN 64 3HG GLN 64 4.259 -19.295 -0.210 487 HE21 GLN 64 1HE2 GLN 64 2.525 -20.727 -0.353 488 HE22 GLN 64 2HE2 GLN 64 1.548 -21.165 1.044 489 H LEU 65 H LEU 65 8.176 -16.214 0.838 490 HA LEU 65 HA LEU 65 7.964 -16.984 -2.020 491 HB2 LEU 65 2HB LEU 65 6.718 -14.835 -1.572 492 HB3 LEU 65 3HB LEU 65 8.233 -14.116 -1.033 493 HG LEU 65 HG LEU 65 9.207 -14.562 -3.323 494 HD11 LEU 65 1HD1 LEU 65 7.530 -15.075 -5.152 495 HD12 LEU 65 2HD1 LEU 65 7.868 -16.445 -4.094 496 HD13 LEU 65 3HD1 LEU 65 6.364 -15.520 -3.887 497 HD21 LEU 65 1HD2 LEU 65 6.588 -12.999 -3.264 498 HD22 LEU 65 2HD2 LEU 65 8.181 -12.390 -2.761 499 HD23 LEU 65 3HD2 LEU 65 7.892 -12.804 -4.459 500 HA PRO 66 HA PRO 66 12.239 -17.095 -0.291 501 HB2 PRO 66 2HB PRO 66 13.010 -19.566 -1.153 502 HB3 PRO 66 3HB PRO 66 11.923 -19.342 0.248 503 HG2 PRO 66 2HG PRO 66 11.128 -19.945 -2.620 504 HG3 PRO 66 3HG PRO 66 10.600 -20.787 -1.129 505 HD2 PRO 66 2HD PRO 66 9.113 -18.814 -2.292 506 HD3 PRO 66 3HD PRO 66 9.187 -18.997 -0.512 507 H SER 67 H SER 67 12.465 -15.290 -1.900 508 HA SER 67 HA SER 67 14.260 -16.129 -4.083 509 HB2 SER 67 2HB SER 67 12.012 -16.312 -5.085 510 HB3 SER 67 3HB SER 67 11.648 -14.645 -4.599 511 HG SER 67 HG SER 67 13.363 -13.968 -5.914 512 H GLU 68 H GLU 68 15.179 -14.947 -1.967 513 HA GLU 68 HA GLU 68 16.651 -13.322 -1.446 514 HB2 GLU 68 2HB GLU 68 16.702 -12.819 -3.961 515 HB3 GLU 68 3HB GLU 68 15.607 -11.468 -3.610 516 HG2 GLU 68 2HG GLU 68 17.258 -10.421 -2.179 517 HG3 GLU 68 3HG GLU 68 18.283 -11.861 -2.222 518 H SER 69 H SER 69 16.638 -11.120 -0.438 519 HA SER 69 HA SER 69 15.876 -9.716 1.118 520 HB2 SER 69 2HB SER 69 14.226 -9.008 -0.682 521 HB3 SER 69 3HB SER 69 13.056 -10.114 0.074 522 HG SER 69 HG SER 69 13.635 -8.976 2.062 Start of MODEL 23 1 H1 MET 1 H1 MET 1 -24.521 47.406 -4.203 2 H2 MET 1 H2 MET 1 -23.289 48.516 -4.164 3 H3 MET 1 H3 MET 1 -23.525 47.553 -5.490 4 HA MET 1 HA MET 1 -21.674 46.706 -4.269 5 HB2 MET 1 2HB MET 1 -23.718 46.650 -2.011 6 HB3 MET 1 3HB MET 1 -22.223 45.699 -1.989 7 HG2 MET 1 2HG MET 1 -20.874 47.729 -2.211 8 HG3 MET 1 3HG MET 1 -22.336 48.726 -2.256 9 HE1 MET 1 1HE MET 1 -20.599 49.501 1.220 10 HE2 MET 1 2HE MET 1 -19.745 48.999 -0.256 11 HE3 MET 1 3HE MET 1 -21.082 50.171 -0.355 12 H LYS 2 H LYS 2 -21.398 44.294 -3.958 13 HA LYS 2 HA LYS 2 -23.688 42.615 -4.120 14 HB2 LYS 2 2HB LYS 2 -22.668 43.415 -6.659 15 HB3 LYS 2 3HB LYS 2 -21.940 41.838 -6.366 16 HG2 LYS 2 2HG LYS 2 -24.344 41.056 -5.732 17 HG3 LYS 2 3HG LYS 2 -24.884 42.582 -6.459 18 HD2 LYS 2 2HD LYS 2 -23.543 41.859 -8.559 19 HD3 LYS 2 3HD LYS 2 -23.363 40.289 -7.762 20 HE2 LYS 2 2HE LYS 2 -25.251 39.914 -9.057 21 HE3 LYS 2 3HE LYS 2 -25.964 40.364 -7.502 22 HZ1 LYS 2 1HZ LYS 2 -26.203 42.627 -8.391 23 HZ2 LYS 2 2HZ LYS 2 -25.601 42.130 -9.843 24 HZ3 LYS 2 3HZ LYS 2 -27.027 41.525 -9.297 25 H GLN 3 H GLN 3 -22.567 40.197 -4.519 26 HA GLN 3 HA GLN 3 -19.781 40.152 -3.871 27 HB2 GLN 3 2HB GLN 3 -21.425 39.948 -1.633 28 HB3 GLN 3 3HB GLN 3 -21.229 38.252 -2.098 29 HG2 GLN 3 2HG GLN 3 -18.727 38.629 -2.147 30 HG3 GLN 3 3HG GLN 3 -19.006 40.289 -1.602 31 HE21 GLN 3 1HE2 GLN 3 -18.955 40.604 0.651 32 HE22 GLN 3 2HE2 GLN 3 -19.175 39.272 1.781 33 H ASP 4 H ASP 4 -19.262 37.495 -3.815 34 HA ASP 4 HA ASP 4 -21.037 36.009 -5.535 35 HB2 ASP 4 2HB ASP 4 -19.540 37.599 -7.010 36 HB3 ASP 4 3HB ASP 4 -18.218 36.518 -6.559 37 H GLY 5 H GLY 5 -19.879 33.697 -5.837 38 HA2 GLY 5 2HA GLY 5 -17.750 33.117 -3.959 39 HA3 GLY 5 3HA GLY 5 -19.345 32.626 -3.350 40 H GLU 6 H GLU 6 -17.228 30.750 -3.956 41 HA GLU 6 HA GLU 6 -18.477 29.173 -6.081 42 HB2 GLU 6 2HB GLU 6 -15.694 30.366 -6.136 43 HB3 GLU 6 3HB GLU 6 -15.863 28.701 -6.682 44 HG2 GLU 6 2HG GLU 6 -17.513 31.006 -7.794 45 HG3 GLU 6 3HG GLU 6 -16.029 30.384 -8.519 46 H GLU 7 H GLU 7 -17.308 27.021 -6.133 47 HA GLU 7 HA GLU 7 -16.042 26.232 -3.583 48 HB2 GLU 7 2HB GLU 7 -18.497 25.924 -3.229 49 HB3 GLU 7 3HB GLU 7 -18.555 24.851 -4.612 50 HG2 GLU 7 2HG GLU 7 -18.491 23.454 -2.703 51 HG3 GLU 7 3HG GLU 7 -16.862 23.353 -3.357 52 H GLY 8 H GLY 8 -17.240 23.657 -5.441 53 HA2 GLY 8 2HA GLY 8 -15.791 23.257 -7.693 54 HA3 GLY 8 3HA GLY 8 -14.583 22.991 -6.412 55 H THR 9 H THR 9 -14.925 20.731 -7.761 56 HA THR 9 HA THR 9 -16.354 19.013 -5.885 57 HB THR 9 HB THR 9 -17.187 17.678 -7.905 58 HG1 THR 9 1HG THR 9 -17.461 18.834 -9.798 59 HG21 THR 9 1HG2 THR 9 -18.705 19.029 -6.431 60 HG22 THR 9 2HG2 THR 9 -18.513 20.397 -7.551 61 HG23 THR 9 3HG2 THR 9 -19.270 18.894 -8.108 62 H GLU 10 H GLU 10 -15.518 16.706 -6.164 63 HA GLU 10 HA GLU 10 -13.097 16.392 -7.745 64 HB2 GLU 10 2HB GLU 10 -13.139 16.264 -4.694 65 HB3 GLU 10 3HB GLU 10 -11.948 15.400 -5.673 66 HG2 GLU 10 2HG GLU 10 -11.324 17.593 -6.755 67 HG3 GLU 10 3HG GLU 10 -12.341 18.410 -5.555 68 H GLU 11 H GLU 11 -12.365 13.923 -7.306 69 HA GLU 11 HA GLU 11 -14.608 12.165 -6.733 70 HB2 GLU 11 2HB GLU 11 -14.499 11.090 -8.936 71 HB3 GLU 11 3HB GLU 11 -15.022 12.771 -9.065 72 HG2 GLU 11 2HG GLU 11 -12.610 13.380 -9.656 73 HG3 GLU 11 3HG GLU 11 -12.275 11.645 -9.748 74 H ASP 12 H ASP 12 -13.944 10.047 -6.468 75 HA ASP 12 HA ASP 12 -12.802 8.559 -5.341 76 HB2 ASP 12 2HB ASP 12 -11.650 8.268 -7.461 77 HB3 ASP 12 3HB ASP 12 -10.399 9.404 -6.941 78 H THR 13 H THR 13 -12.615 8.765 -3.260 79 HA THR 13 HA THR 13 -10.337 10.262 -2.150 80 HB THR 13 HB THR 13 -13.203 10.573 -1.167 81 HG1 THR 13 1HG THR 13 -11.737 11.877 -3.067 82 HG21 THR 13 1HG2 THR 13 -12.209 12.522 0.099 83 HG22 THR 13 2HG2 THR 13 -11.677 10.950 0.699 84 HG23 THR 13 3HG2 THR 13 -10.593 11.921 -0.330 85 H GLU 14 H GLU 14 -11.105 7.426 -2.797 86 HA GLU 14 HA GLU 14 -11.178 6.271 -0.055 87 HB2 GLU 14 2HB GLU 14 -12.540 5.422 -2.653 88 HB3 GLU 14 3HB GLU 14 -12.310 4.360 -1.272 89 HG2 GLU 14 2HG GLU 14 -14.318 5.077 -0.604 90 HG3 GLU 14 3HG GLU 14 -13.441 6.462 0.030 91 H GLU 15 H GLU 15 -10.077 5.682 -3.511 92 HA GLU 15 HA GLU 15 -8.428 3.490 -2.456 93 HB2 GLU 15 2HB GLU 15 -8.671 4.595 -5.280 94 HB3 GLU 15 3HB GLU 15 -7.765 3.157 -4.777 95 HG2 GLU 15 2HG GLU 15 -10.195 2.642 -3.610 96 HG3 GLU 15 3HG GLU 15 -10.712 3.548 -5.027 97 H LYS 16 H LYS 16 -7.131 4.639 -0.973 98 HA LYS 16 HA LYS 16 -5.134 6.436 -2.213 99 HB2 LYS 16 2HB LYS 16 -6.967 7.134 -0.431 100 HB3 LYS 16 3HB LYS 16 -5.758 6.548 0.736 101 HG2 LYS 16 2HG LYS 16 -4.100 8.070 -0.244 102 HG3 LYS 16 3HG LYS 16 -5.262 8.503 -1.519 103 HD2 LYS 16 2HD LYS 16 -6.789 9.457 0.214 104 HD3 LYS 16 3HD LYS 16 -5.492 9.209 1.418 105 HE2 LYS 16 2HE LYS 16 -3.957 10.546 -0.013 106 HE3 LYS 16 3HE LYS 16 -5.244 10.787 -1.192 107 HZ1 LYS 16 1HZ LYS 16 -6.458 12.024 0.462 108 HZ2 LYS 16 2HZ LYS 16 -5.277 11.760 1.590 109 HZ3 LYS 16 3HZ LYS 16 -4.952 12.668 0.264 110 H CYS 17 H CYS 17 -3.119 6.120 -1.954 111 HA CYS 17 HA CYS 17 -1.921 3.570 -0.944 112 HB2 CYS 17 2HB CYS 17 -1.142 4.860 -2.969 113 HB3 CYS 17 3HB CYS 17 -0.715 6.189 -1.910 114 H THR 18 H THR 18 -1.754 3.355 1.303 115 HA THR 18 HA THR 18 -1.833 5.614 3.012 116 HB THR 18 HB THR 18 -2.317 3.148 3.568 117 HG1 THR 18 1HG THR 18 -0.916 4.927 5.272 118 HG21 THR 18 1HG2 THR 18 0.082 2.428 3.012 119 HG22 THR 18 2HG2 THR 18 0.580 3.255 4.497 120 HG23 THR 18 3HG2 THR 18 -0.558 1.902 4.594 121 H ILE 19 H ILE 19 0.864 4.408 1.153 122 HA ILE 19 HA ILE 19 2.889 5.359 3.010 123 HB ILE 19 HB ILE 19 2.864 4.031 0.292 124 HG12 ILE 19 2HG1 ILE 19 4.186 2.995 2.807 125 HG13 ILE 19 3HG1 ILE 19 2.431 2.871 2.670 126 HG21 ILE 19 1HG2 ILE 19 4.757 5.465 0.201 127 HG22 ILE 19 2HG2 ILE 19 5.192 5.125 1.894 128 HG23 ILE 19 3HG2 ILE 19 5.384 3.867 0.653 129 HD11 ILE 19 1HD1 ILE 19 2.600 1.669 0.568 130 HD12 ILE 19 2HD1 ILE 19 4.372 1.796 0.596 131 HD13 ILE 19 3HD1 ILE 19 3.526 0.837 1.836 132 H CYS 20 H CYS 20 1.677 6.190 -0.294 133 HA CYS 20 HA CYS 20 3.242 8.717 -0.450 134 HB2 CYS 20 2HB CYS 20 0.889 7.799 -2.134 135 HB3 CYS 20 3HB CYS 20 2.063 9.069 -2.475 136 H LEU 21 H LEU 21 0.314 7.671 1.076 137 HA LEU 21 HA LEU 21 -1.654 8.587 1.596 138 HB2 LEU 21 2HB LEU 21 0.219 10.845 2.371 139 HB3 LEU 21 3HB LEU 21 -1.466 10.733 2.899 140 HG LEU 21 HG LEU 21 0.572 8.519 3.405 141 HD11 LEU 21 1HD1 LEU 21 -0.271 10.788 5.237 142 HD12 LEU 21 2HD1 LEU 21 0.746 9.391 5.682 143 HD13 LEU 21 3HD1 LEU 21 1.331 10.560 4.486 144 HD21 LEU 21 1HD2 LEU 21 -1.805 7.811 3.553 145 HD22 LEU 21 2HD2 LEU 21 -1.054 7.837 5.147 146 HD23 LEU 21 3HD2 LEU 21 -2.143 9.158 4.665 147 H SER 22 H SER 22 -1.376 8.588 -1.043 148 HA SER 22 HA SER 22 -2.751 11.057 -1.909 149 HB2 SER 22 2HB SER 22 -0.098 10.791 -2.423 150 HB3 SER 22 3HB SER 22 -0.760 9.895 -3.809 151 HG SER 22 HG SER 22 -0.525 12.220 -4.087 152 H ILE 23 H ILE 23 -4.067 10.642 -3.919 153 HA ILE 23 HA ILE 23 -5.355 8.080 -3.697 154 HB ILE 23 HB ILE 23 -5.700 10.611 -5.328 155 HG12 ILE 23 2HG1 ILE 23 -6.315 10.611 -2.890 156 HG13 ILE 23 3HG1 ILE 23 -7.616 11.017 -3.988 157 HG21 ILE 23 1HG2 ILE 23 -6.487 9.002 -6.830 158 HG22 ILE 23 2HG2 ILE 23 -7.303 8.053 -5.581 159 HG23 ILE 23 3HG2 ILE 23 -7.923 9.657 -6.046 160 HD11 ILE 23 1HD1 ILE 23 -7.264 8.225 -2.794 161 HD12 ILE 23 2HD1 ILE 23 -8.281 9.488 -2.102 162 HD13 ILE 23 3HD1 ILE 23 -8.652 8.837 -3.710 163 H LEU 24 H LEU 24 -5.715 6.667 -5.392 164 HA LEU 24 HA LEU 24 -3.394 6.181 -7.099 165 HB2 LEU 24 2HB LEU 24 -5.851 4.552 -6.252 166 HB3 LEU 24 3HB LEU 24 -4.494 3.889 -7.162 167 HG LEU 24 HG LEU 24 -4.211 5.100 -4.363 168 HD11 LEU 24 1HD1 LEU 24 -4.366 2.194 -5.186 169 HD12 LEU 24 2HD1 LEU 24 -3.988 2.826 -3.559 170 HD13 LEU 24 3HD1 LEU 24 -5.583 3.109 -4.273 171 HD21 LEU 24 1HD2 LEU 24 -2.042 3.731 -4.543 172 HD22 LEU 24 2HD2 LEU 24 -2.350 3.697 -6.283 173 HD23 LEU 24 3HD2 LEU 24 -2.171 5.262 -5.460 174 H GLU 25 H GLU 25 -4.773 4.605 -9.011 175 HA GLU 25 HA GLU 25 -7.196 5.966 -9.801 176 HB2 GLU 25 2HB GLU 25 -6.699 6.444 -12.066 177 HB3 GLU 25 3HB GLU 25 -5.474 7.244 -11.078 178 HG2 GLU 25 2HG GLU 25 -3.844 5.496 -11.606 179 HG3 GLU 25 3HG GLU 25 -5.056 4.595 -12.537 180 H GLU 26 H GLU 26 -8.138 4.752 -11.875 181 HA GLU 26 HA GLU 26 -8.552 2.083 -11.010 182 HB2 GLU 26 2HB GLU 26 -10.255 3.401 -12.183 183 HB3 GLU 26 3HB GLU 26 -9.252 3.455 -13.641 184 HG2 GLU 26 2HG GLU 26 -9.413 0.988 -13.859 185 HG3 GLU 26 3HG GLU 26 -10.310 0.903 -12.340 186 H GLY 27 H GLY 27 -6.990 0.559 -11.099 187 HA2 GLY 27 2HA GLY 27 -5.823 -1.123 -12.220 188 HA3 GLY 27 3HA GLY 27 -6.085 -0.275 -13.751 189 H GLU 28 H GLU 28 -4.704 1.583 -11.080 190 HA GLU 28 HA GLU 28 -2.246 2.043 -12.444 191 HB2 GLU 28 2HB GLU 28 -3.556 3.453 -10.741 192 HB3 GLU 28 3HB GLU 28 -2.893 2.401 -9.494 193 HG2 GLU 28 2HG GLU 28 -0.599 3.119 -10.140 194 HG3 GLU 28 3HG GLU 28 -1.271 4.094 -11.464 195 H ASP 29 H ASP 29 -0.082 1.575 -11.245 196 HA ASP 29 HA ASP 29 0.196 -1.234 -10.707 197 HB2 ASP 29 2HB ASP 29 2.459 -0.818 -10.344 198 HB3 ASP 29 3HB ASP 29 1.975 0.241 -11.639 199 H VAL 30 H VAL 30 -0.706 -2.096 -8.982 200 HA VAL 30 HA VAL 30 -0.138 -0.916 -6.351 201 HB VAL 30 HB VAL 30 -2.412 -1.154 -5.528 202 HG11 VAL 30 1HG1 VAL 30 -2.436 0.528 -8.056 203 HG12 VAL 30 2HG1 VAL 30 -3.492 0.700 -6.654 204 HG13 VAL 30 3HG1 VAL 30 -1.756 1.031 -6.492 205 HG21 VAL 30 1HG2 VAL 30 -4.318 -1.560 -7.031 206 HG22 VAL 30 2HG2 VAL 30 -3.209 -1.873 -8.379 207 HG23 VAL 30 3HG2 VAL 30 -3.247 -2.967 -6.974 208 H ARG 31 H ARG 31 -1.141 -2.633 -4.640 209 HA ARG 31 HA ARG 31 -0.772 -5.379 -5.654 210 HB2 ARG 31 2HB ARG 31 0.918 -5.921 -4.088 211 HB3 ARG 31 3HB ARG 31 1.490 -4.505 -4.957 212 HG2 ARG 31 2HG ARG 31 1.554 -3.229 -3.050 213 HG3 ARG 31 3HG ARG 31 -0.021 -3.723 -2.530 214 HD2 ARG 31 2HD ARG 31 1.522 -4.565 -0.906 215 HD3 ARG 31 3HD ARG 31 0.800 -5.886 -1.807 216 HE ARG 31 HE ARG 31 3.541 -4.811 -2.298 217 HH11 ARG 31 1HH1 ARG 31 4.819 -8.016 -2.862 218 HH12 ARG 31 2HH1 ARG 31 5.161 -6.329 -2.856 219 HH21 ARG 31 1HH2 ARG 31 2.645 -8.784 -2.360 220 HH22 ARG 31 2HH2 ARG 31 1.405 -7.669 -1.949 221 H ARG 32 H ARG 32 -1.123 -6.924 -3.700 222 HA ARG 32 HA ARG 32 -3.015 -5.738 -1.751 223 HB2 ARG 32 2HB ARG 32 -4.344 -7.202 -3.191 224 HB3 ARG 32 3HB ARG 32 -3.092 -8.450 -3.166 225 HG2 ARG 32 2HG ARG 32 -4.935 -9.137 -1.742 226 HG3 ARG 32 3HG ARG 32 -3.502 -8.865 -0.769 227 HD2 ARG 32 2HD ARG 32 -5.118 -7.817 0.502 228 HD3 ARG 32 3HD ARG 32 -4.480 -6.453 -0.407 229 HE ARG 32 HE ARG 32 -6.758 -7.846 -1.623 230 HH11 ARG 32 1HH1 ARG 32 -9.033 -5.271 -0.883 231 HH12 ARG 32 2HH1 ARG 32 -8.824 -6.795 -1.662 232 HH21 ARG 32 1HH2 ARG 32 -7.267 -4.360 0.432 233 HH22 ARG 32 2HH2 ARG 32 -5.685 -5.030 0.221 234 H LEU 33 H LEU 33 -2.622 -6.353 0.397 235 HA LEU 33 HA LEU 33 -0.439 -8.194 0.940 236 HB2 LEU 33 2HB LEU 33 0.207 -6.498 2.747 237 HB3 LEU 33 3HB LEU 33 0.649 -6.072 1.112 238 HG LEU 33 HG LEU 33 -2.034 -5.038 1.901 239 HD11 LEU 33 1HD1 LEU 33 0.525 -4.206 3.352 240 HD12 LEU 33 2HD1 LEU 33 -0.953 -3.253 3.349 241 HD13 LEU 33 3HD1 LEU 33 -0.957 -4.863 4.086 242 HD21 LEU 33 1HD2 LEU 33 0.457 -3.696 0.814 243 HD22 LEU 33 2HD2 LEU 33 -0.887 -4.345 -0.162 244 HD23 LEU 33 3HD2 LEU 33 -1.161 -2.982 0.930 245 HA PRO 34 HA PRO 34 -3.162 -10.270 3.092 246 HB2 PRO 34 2HB PRO 34 -2.012 -11.130 5.460 247 HB3 PRO 34 3HB PRO 34 -1.551 -11.700 3.827 248 HG2 PRO 34 2HG PRO 34 -0.195 -9.619 5.535 249 HG3 PRO 34 3HG PRO 34 0.545 -10.891 4.509 250 HD2 PRO 34 2HD PRO 34 0.273 -8.263 3.785 251 HD3 PRO 34 3HD PRO 34 0.320 -9.559 2.587 252 H CYS 35 H CYS 35 -1.895 -7.742 5.265 253 HA CYS 35 HA CYS 35 -4.598 -7.394 6.569 254 HB2 CYS 35 2HB CYS 35 -2.828 -7.132 8.052 255 HB3 CYS 35 3HB CYS 35 -1.913 -6.086 6.939 256 H MET 36 H MET 36 -4.878 -7.477 3.988 257 HA MET 36 HA MET 36 -6.203 -6.561 2.478 258 HB2 MET 36 2HB MET 36 -7.336 -6.161 5.245 259 HB3 MET 36 3HB MET 36 -8.308 -5.795 3.814 260 HG2 MET 36 2HG MET 36 -6.980 -8.475 4.315 261 HG3 MET 36 3HG MET 36 -8.673 -8.085 4.629 262 HE1 MET 36 1HE MET 36 -7.982 -10.602 2.916 263 HE2 MET 36 2HE MET 36 -9.631 -10.018 3.250 264 HE3 MET 36 3HE MET 36 -9.150 -10.416 1.586 265 H HIS 37 H HIS 37 -4.126 -4.716 2.766 266 HA HIS 37 HA HIS 37 -5.688 -2.273 2.120 267 HB2 HIS 37 1HB HIS 37 -2.977 -2.633 3.397 268 HB3 HIS 37 2HB HIS 37 -3.413 -1.134 2.580 269 HD2 HIS 37 2HD HIS 37 -5.620 0.197 3.536 270 HE1 HIS 37 1HE HIS 37 -5.182 -1.283 7.510 271 HE2 HIS 37 2HE HIS 37 -6.298 0.503 6.047 272 H LEU 38 H LEU 38 -4.322 -0.887 0.435 273 HA LEU 38 HA LEU 38 -3.148 -2.665 -1.582 274 HB2 LEU 38 2HB LEU 38 -4.420 -1.837 -3.341 275 HB3 LEU 38 3HB LEU 38 -5.584 -2.308 -2.118 276 HG LEU 38 HG LEU 38 -4.728 0.550 -2.802 277 HD11 LEU 38 1HD1 LEU 38 -6.971 0.740 -3.744 278 HD12 LEU 38 2HD1 LEU 38 -6.077 -0.559 -4.534 279 HD13 LEU 38 3HD1 LEU 38 -7.325 -0.941 -3.326 280 HD21 LEU 38 1HD2 LEU 38 -6.817 -0.480 -0.820 281 HD22 LEU 38 2HD2 LEU 38 -5.409 0.562 -0.457 282 HD23 LEU 38 3HD2 LEU 38 -6.738 1.190 -1.416 283 H PHE 39 H PHE 39 -1.236 -1.869 -2.129 284 HA PHE 39 HA PHE 39 -0.638 1.035 -1.673 285 HB2 PHE 39 2HB PHE 39 1.060 -1.448 -1.197 286 HB3 PHE 39 3HB PHE 39 1.693 0.174 -1.109 287 HD1 PHE 39 1HD PHE 39 2.086 -1.697 1.095 288 HD2 PHE 39 2HD PHE 39 -1.238 0.954 0.411 289 HE1 PHE 39 1HE PHE 39 1.475 -1.827 3.488 290 HE2 PHE 39 2HE PHE 39 -1.915 0.712 2.754 291 HZ PHE 39 HZ PHE 39 -0.576 -0.678 4.310 292 H HIS 40 H HIS 40 0.932 1.920 -3.215 293 HA HIS 40 HA HIS 40 0.658 0.966 -5.881 294 HB2 HIS 40 1HB HIS 40 2.828 2.671 -4.653 295 HB3 HIS 40 2HB HIS 40 2.790 2.275 -6.355 296 HD2 HIS 40 2HD HIS 40 0.593 3.174 -7.811 297 HE1 HIS 40 1HE HIS 40 0.258 6.665 -5.393 298 HE2 HIS 40 2HE HIS 40 -0.408 5.577 -7.619 299 H GLN 41 H GLN 41 2.330 -0.060 -7.267 300 HA GLN 41 HA GLN 41 3.679 -2.276 -5.978 301 HB2 GLN 41 2HB GLN 41 2.802 -2.046 -8.454 302 HB3 GLN 41 3HB GLN 41 4.313 -1.189 -8.737 303 HG2 GLN 41 2HG GLN 41 5.265 -3.159 -9.110 304 HG3 GLN 41 3HG GLN 41 5.213 -3.430 -7.374 305 HE21 GLN 41 1HE2 GLN 41 2.047 -3.747 -7.506 306 HE22 GLN 41 2HE2 GLN 41 1.917 -5.314 -8.220 307 H VAL 42 H VAL 42 4.673 0.913 -7.353 308 HA VAL 42 HA VAL 42 7.438 0.509 -6.709 309 HB VAL 42 HB VAL 42 5.982 3.162 -7.052 310 HG11 VAL 42 1HG1 VAL 42 8.264 3.966 -7.704 311 HG12 VAL 42 2HG1 VAL 42 8.212 3.441 -6.017 312 HG13 VAL 42 3HG1 VAL 42 8.934 2.385 -7.248 313 HG21 VAL 42 1HG2 VAL 42 5.679 1.749 -9.041 314 HG22 VAL 42 2HG2 VAL 42 6.886 2.986 -9.393 315 HG23 VAL 42 3HG2 VAL 42 7.405 1.323 -9.037 316 H CYS 43 H CYS 43 5.012 2.530 -4.887 317 HA CYS 43 HA CYS 43 6.668 3.265 -2.727 318 HB2 CYS 43 2HB CYS 43 3.744 2.464 -2.532 319 HB3 CYS 43 3HB CYS 43 4.657 3.465 -1.418 320 H VAL 44 H VAL 44 4.741 0.200 -3.066 321 HA VAL 44 HA VAL 44 5.380 -0.517 -0.417 322 HB VAL 44 HB VAL 44 3.383 -1.224 -1.773 323 HG11 VAL 44 1HG1 VAL 44 3.582 -3.059 -3.277 324 HG12 VAL 44 2HG1 VAL 44 4.892 -1.984 -3.678 325 HG13 VAL 44 3HG1 VAL 44 5.246 -3.431 -2.729 326 HG21 VAL 44 1HG2 VAL 44 4.160 -2.165 0.456 327 HG22 VAL 44 2HG2 VAL 44 3.114 -3.222 -0.510 328 HG23 VAL 44 3HG2 VAL 44 4.869 -3.511 -0.443 329 H ASP 45 H ASP 45 7.248 -0.851 -3.351 330 HA ASP 45 HA ASP 45 8.863 -3.103 -2.575 331 HB2 ASP 45 2HB ASP 45 9.081 -2.190 -4.811 332 HB3 ASP 45 3HB ASP 45 9.531 -0.601 -4.175 333 H GLN 46 H GLN 46 9.460 0.421 -2.177 334 HA GLN 46 HA GLN 46 11.564 -0.021 -0.294 335 HB2 GLN 46 2HB GLN 46 9.860 2.442 -0.868 336 HB3 GLN 46 3HB GLN 46 11.273 2.455 0.200 337 HG2 GLN 46 2HG GLN 46 11.349 1.635 -2.746 338 HG3 GLN 46 3HG GLN 46 11.790 3.225 -2.120 339 HE21 GLN 46 1HE2 GLN 46 12.941 -0.045 -2.665 340 HE22 GLN 46 2HE2 GLN 46 14.489 0.200 -1.876 341 H ALA 47 H ALA 47 8.092 0.183 0.181 342 HA ALA 47 HA ALA 47 8.171 0.480 3.025 343 HB1 ALA 47 1HB ALA 47 6.188 -1.126 1.372 344 HB2 ALA 47 2HB ALA 47 5.919 -0.408 2.972 345 HB3 ALA 47 3HB ALA 47 6.156 0.643 1.551 346 H LEU 48 H LEU 48 7.647 -2.556 1.188 347 HA LEU 48 HA LEU 48 7.866 -4.345 3.258 348 HB2 LEU 48 2HB LEU 48 6.926 -4.656 0.991 349 HB3 LEU 48 3HB LEU 48 8.542 -4.729 0.302 350 HG LEU 48 HG LEU 48 7.710 -6.652 2.503 351 HD11 LEU 48 1HD1 LEU 48 6.890 -8.207 0.766 352 HD12 LEU 48 2HD1 LEU 48 5.916 -6.732 0.813 353 HD13 LEU 48 3HD1 LEU 48 7.124 -6.951 -0.473 354 HD21 LEU 48 1HD2 LEU 48 9.247 -8.191 1.264 355 HD22 LEU 48 2HD2 LEU 48 9.585 -6.899 0.093 356 HD23 LEU 48 3HD2 LEU 48 10.094 -6.731 1.783 357 H ILE 49 H ILE 49 10.536 -3.244 1.057 358 HA ILE 49 HA ILE 49 12.497 -4.902 2.329 359 HB ILE 49 HB ILE 49 14.152 -3.627 1.198 360 HG12 ILE 49 2HG1 ILE 49 13.019 -1.686 -0.347 361 HG13 ILE 49 3HG1 ILE 49 12.169 -1.485 1.202 362 HG21 ILE 49 1HG2 ILE 49 11.781 -3.913 -0.677 363 HG22 ILE 49 2HG2 ILE 49 13.501 -3.983 -1.078 364 HG23 ILE 49 3HG2 ILE 49 12.774 -5.258 -0.080 365 HD11 ILE 49 1HD1 ILE 49 14.166 -0.093 1.177 366 HD12 ILE 49 2HD1 ILE 49 14.370 -1.395 2.371 367 HD13 ILE 49 3HD1 ILE 49 15.180 -1.504 0.793 368 H THR 50 H THR 50 11.257 -1.613 3.128 369 HA THR 50 HA THR 50 13.321 -1.103 5.033 370 HB THR 50 HB THR 50 10.528 0.004 4.609 371 HG1 THR 50 1HG THR 50 12.022 0.779 3.249 372 HG21 THR 50 1HG2 THR 50 11.057 1.748 6.284 373 HG22 THR 50 2HG2 THR 50 10.793 0.161 7.018 374 HG23 THR 50 3HG2 THR 50 12.452 0.785 6.827 375 H ASN 51 H ASN 51 10.072 -2.616 5.238 376 HA ASN 51 HA ASN 51 10.887 -4.443 7.251 377 HB2 ASN 51 2HB ASN 51 9.241 -2.002 8.013 378 HB3 ASN 51 3HB ASN 51 8.786 -3.562 8.664 379 HD21 ASN 51 1HD2 ASN 51 11.834 -4.363 8.916 380 HD22 ASN 51 2HD2 ASN 51 12.167 -3.578 10.432 381 H LYS 52 H LYS 52 9.460 -6.206 7.119 382 HA LYS 52 HA LYS 52 7.312 -6.018 5.105 383 HB2 LYS 52 2HB LYS 52 8.159 -8.417 6.794 384 HB3 LYS 52 3HB LYS 52 7.182 -8.396 5.333 385 HG2 LYS 52 2HG LYS 52 9.269 -9.204 4.653 386 HG3 LYS 52 3HG LYS 52 9.237 -7.546 4.070 387 HD2 LYS 52 2HD LYS 52 10.962 -6.891 5.484 388 HD3 LYS 52 3HD LYS 52 10.444 -7.995 6.775 389 HE2 LYS 52 2HE LYS 52 12.594 -8.707 5.952 390 HE3 LYS 52 3HE LYS 52 11.360 -9.907 5.615 391 HZ1 LYS 52 1HZ LYS 52 12.810 -9.605 3.768 392 HZ2 LYS 52 2HZ LYS 52 11.311 -9.071 3.318 393 HZ3 LYS 52 3HZ LYS 52 12.602 -8.054 3.688 394 H LYS 53 H LYS 53 6.349 -4.286 6.800 395 HA LYS 53 HA LYS 53 4.171 -5.813 8.070 396 HB2 LYS 53 2HB LYS 53 4.187 -4.079 9.990 397 HB3 LYS 53 3HB LYS 53 5.295 -5.451 10.088 398 HG2 LYS 53 2HG LYS 53 7.148 -4.216 9.761 399 HG3 LYS 53 3HG LYS 53 6.357 -3.017 8.718 400 HD2 LYS 53 2HD LYS 53 5.282 -2.060 10.821 401 HD3 LYS 53 3HD LYS 53 6.422 -3.101 11.738 402 HE2 LYS 53 2HE LYS 53 8.242 -2.193 10.189 403 HE3 LYS 53 3HE LYS 53 7.081 -1.009 9.596 404 HZ1 LYS 53 1HZ LYS 53 8.077 -1.265 12.360 405 HZ2 LYS 53 2HZ LYS 53 8.546 -0.152 11.269 406 HZ3 LYS 53 3HZ LYS 53 6.994 -0.114 11.841 407 H CYS 54 H CYS 54 2.269 -4.884 7.776 408 HA CYS 54 HA CYS 54 1.798 -2.635 5.949 409 HB2 CYS 54 2HB CYS 54 0.333 -4.623 6.215 410 HB3 CYS 54 3HB CYS 54 0.112 -4.236 7.924 411 HA PRO 55 HA PRO 55 2.534 0.116 9.507 412 HB2 PRO 55 2HB PRO 55 1.861 2.543 8.457 413 HB3 PRO 55 3HB PRO 55 3.350 1.674 7.960 414 HG2 PRO 55 2HG PRO 55 0.648 1.675 6.585 415 HG3 PRO 55 3HG PRO 55 2.254 1.994 5.846 416 HD2 PRO 55 2HD PRO 55 1.077 -0.468 5.741 417 HD3 PRO 55 3HD PRO 55 2.849 -0.303 5.956 418 H ILE 56 H ILE 56 1.225 1.259 11.042 419 HA ILE 56 HA ILE 56 -0.571 1.637 12.311 420 HB ILE 56 HB ILE 56 -2.320 1.458 9.832 421 HG12 ILE 56 2HG1 ILE 56 -1.562 4.028 11.232 422 HG13 ILE 56 3HG1 ILE 56 -0.425 3.346 10.069 423 HG21 ILE 56 1HG2 ILE 56 -2.832 2.523 12.643 424 HG22 ILE 56 2HG2 ILE 56 -3.932 2.716 11.263 425 HG23 ILE 56 3HG2 ILE 56 -3.595 1.106 11.897 426 HD11 ILE 56 1HD1 ILE 56 -3.335 3.976 9.435 427 HD12 ILE 56 2HD1 ILE 56 -1.927 4.959 8.985 428 HD13 ILE 56 3HD1 ILE 56 -2.118 3.330 8.309 429 H CYS 57 H CYS 57 -1.837 -0.830 9.909 430 HA CYS 57 HA CYS 57 -3.013 -2.402 12.047 431 HB2 CYS 57 2HB CYS 57 -3.178 -4.132 10.325 432 HB3 CYS 57 3HB CYS 57 -4.017 -2.627 9.983 433 H ARG 58 H ARG 58 0.224 -2.310 10.689 434 HA ARG 58 HA ARG 58 2.166 -3.199 11.332 435 HB2 ARG 58 2HB ARG 58 1.176 -2.238 13.591 436 HB3 ARG 58 3HB ARG 58 1.099 -3.945 14.038 437 HG2 ARG 58 2HG ARG 58 3.664 -3.815 13.034 438 HG3 ARG 58 3HG ARG 58 3.458 -2.153 13.590 439 HD2 ARG 58 2HD ARG 58 2.757 -3.077 15.839 440 HD3 ARG 58 3HD ARG 58 3.133 -4.704 15.222 441 HE ARG 58 HE ARG 58 5.354 -2.954 14.832 442 HH11 ARG 58 1HH1 ARG 58 7.109 -3.895 17.744 443 HH12 ARG 58 2HH1 ARG 58 7.220 -3.077 16.232 444 HH21 ARG 58 1HH2 ARG 58 5.059 -4.875 18.416 445 HH22 ARG 58 2HH2 ARG 58 3.695 -4.758 17.359 446 H VAL 59 H VAL 59 -0.211 -5.160 10.533 447 HA VAL 59 HA VAL 59 0.722 -7.702 11.583 448 HB VAL 59 HB VAL 59 -0.898 -7.070 9.092 449 HG11 VAL 59 1HG1 VAL 59 -1.845 -9.353 9.418 450 HG12 VAL 59 2HG1 VAL 59 -0.113 -9.398 9.106 451 HG13 VAL 59 3HG1 VAL 59 -0.715 -9.616 10.764 452 HG21 VAL 59 1HG2 VAL 59 -2.909 -7.555 10.525 453 HG22 VAL 59 2HG2 VAL 59 -1.842 -7.627 11.944 454 HG23 VAL 59 3HG2 VAL 59 -2.051 -6.110 11.049 455 H ASP 60 H ASP 60 2.066 -9.190 10.495 456 HA ASP 60 HA ASP 60 4.122 -7.996 8.851 457 HB2 ASP 60 2HB ASP 60 4.326 -9.883 10.600 458 HB3 ASP 60 3HB ASP 60 3.697 -10.954 9.346 459 H ILE 61 H ILE 61 4.522 -8.537 6.627 460 HA ILE 61 HA ILE 61 2.152 -9.601 5.159 461 HB ILE 61 HB ILE 61 2.628 -8.091 3.380 462 HG12 ILE 61 2HG1 ILE 61 4.887 -6.995 5.100 463 HG13 ILE 61 3HG1 ILE 61 5.100 -7.959 3.629 464 HG21 ILE 61 1HG2 ILE 61 1.267 -7.388 5.474 465 HG22 ILE 61 2HG2 ILE 61 2.686 -6.393 5.876 466 HG23 ILE 61 3HG2 ILE 61 1.778 -6.114 4.360 467 HD11 ILE 61 1HD1 ILE 61 5.348 -5.687 3.032 468 HD12 ILE 61 2HD1 ILE 61 3.784 -6.284 2.392 469 HD13 ILE 61 3HD1 ILE 61 3.824 -5.230 3.844 470 H GLU 62 H GLU 62 5.476 -10.003 5.753 471 HA GLU 62 HA GLU 62 6.444 -11.129 3.390 472 HB2 GLU 62 2HB GLU 62 7.716 -10.671 5.516 473 HB3 GLU 62 3HB GLU 62 6.945 -12.080 6.252 474 HG2 GLU 62 2HG GLU 62 7.990 -13.569 4.616 475 HG3 GLU 62 3HG GLU 62 8.601 -12.182 3.700 476 H ALA 63 H ALA 63 6.304 -13.220 2.485 477 HA ALA 63 HA ALA 63 4.656 -15.263 3.832 478 HB1 ALA 63 1HB ALA 63 3.027 -13.854 2.617 479 HB2 ALA 63 2HB ALA 63 3.958 -14.084 1.114 480 HB3 ALA 63 3HB ALA 63 3.161 -15.474 1.893 481 H GLN 64 H GLN 64 7.339 -15.347 3.514 482 HA GLN 64 HA GLN 64 7.615 -17.623 1.719 483 HB2 GLN 64 2HB GLN 64 8.232 -15.239 0.558 484 HB3 GLN 64 3HB GLN 64 9.767 -15.540 1.377 485 HG2 GLN 64 2HG GLN 64 9.847 -17.798 0.280 486 HG3 GLN 64 3HG GLN 64 8.314 -17.442 -0.527 487 HE21 GLN 64 1HE2 GLN 64 8.283 -15.539 -2.073 488 HE22 GLN 64 2HE2 GLN 64 9.800 -15.193 -2.900 489 H LEU 65 H LEU 65 9.143 -19.059 2.593 490 HA LEU 65 HA LEU 65 10.201 -18.412 5.235 491 HB2 LEU 65 2HB LEU 65 9.699 -20.844 3.702 492 HB3 LEU 65 3HB LEU 65 11.355 -20.849 4.290 493 HG LEU 65 HG LEU 65 9.825 -21.958 5.827 494 HD11 LEU 65 1HD1 LEU 65 11.871 -20.899 6.702 495 HD12 LEU 65 2HD1 LEU 65 10.976 -19.401 7.024 496 HD13 LEU 65 3HD1 LEU 65 10.559 -20.888 7.894 497 HD21 LEU 65 1HD2 LEU 65 8.147 -20.782 7.109 498 HD22 LEU 65 2HD2 LEU 65 8.521 -19.247 6.312 499 HD23 LEU 65 3HD2 LEU 65 7.800 -20.578 5.383 500 HA PRO 66 HA PRO 66 14.362 -18.190 3.023 501 HB2 PRO 66 2HB PRO 66 14.631 -18.464 0.331 502 HB3 PRO 66 3HB PRO 66 14.546 -19.899 1.406 503 HG2 PRO 66 2HG PRO 66 12.272 -18.606 -0.143 504 HG3 PRO 66 3HG PRO 66 12.749 -20.334 -0.139 505 HD2 PRO 66 2HD PRO 66 10.771 -19.401 1.465 506 HD3 PRO 66 3HD PRO 66 11.899 -20.656 2.043 507 H SER 67 H SER 67 15.328 -16.326 2.043 508 HA SER 67 HA SER 67 15.486 -14.266 1.074 509 HB2 SER 67 2HB SER 67 12.479 -14.113 0.679 510 HB3 SER 67 3HB SER 67 13.747 -13.119 -0.040 511 HG SER 67 HG SER 67 12.881 -15.654 -0.686 512 H GLU 68 H GLU 68 16.206 -13.271 2.942 513 HA GLU 68 HA GLU 68 14.202 -12.251 4.849 514 HB2 GLU 68 2HB GLU 68 15.403 -14.532 5.427 515 HB3 GLU 68 3HB GLU 68 16.814 -13.534 5.747 516 HG2 GLU 68 2HG GLU 68 14.072 -13.133 7.042 517 HG3 GLU 68 3HG GLU 68 15.323 -14.172 7.722 518 H SER 69 H SER 69 15.221 -10.369 6.048 519 HA SER 69 HA SER 69 16.022 -8.293 5.879 520 HB2 SER 69 2HB SER 69 18.263 -9.389 6.004 521 HB3 SER 69 3HB SER 69 18.309 -9.420 4.227 522 HG SER 69 HG SER 69 17.967 -7.159 4.297 Start of MODEL 24 1 H1 MET 1 H1 MET 1 -16.314 34.556 -25.246 2 H2 MET 1 H2 MET 1 -17.548 35.379 -25.968 3 H3 MET 1 H3 MET 1 -17.381 33.757 -26.211 4 HA MET 1 HA MET 1 -16.672 34.936 -28.135 5 HB2 MET 1 2HB MET 1 -14.846 36.322 -26.155 6 HB3 MET 1 3HB MET 1 -14.434 36.183 -27.877 7 HG2 MET 1 2HG MET 1 -16.615 37.193 -28.480 8 HG3 MET 1 3HG MET 1 -16.955 37.463 -26.764 9 HE1 MET 1 1HE MET 1 -16.176 41.012 -28.434 10 HE2 MET 1 2HE MET 1 -16.926 39.602 -29.214 11 HE3 MET 1 3HE MET 1 -17.404 40.066 -27.562 12 H LYS 2 H LYS 2 -13.620 34.378 -26.246 13 HA LYS 2 HA LYS 2 -13.520 31.642 -27.378 14 HB2 LYS 2 2HB LYS 2 -11.840 33.978 -28.126 15 HB3 LYS 2 3HB LYS 2 -10.905 32.596 -27.551 16 HG2 LYS 2 2HG LYS 2 -12.075 31.116 -29.162 17 HG3 LYS 2 3HG LYS 2 -12.949 32.524 -29.806 18 HD2 LYS 2 2HD LYS 2 -10.743 33.580 -30.385 19 HD3 LYS 2 3HD LYS 2 -9.917 32.169 -29.712 20 HE2 LYS 2 2HE LYS 2 -9.921 31.727 -32.008 21 HE3 LYS 2 3HE LYS 2 -11.251 30.745 -31.379 22 HZ1 LYS 2 1HZ LYS 2 -11.913 31.898 -33.357 23 HZ2 LYS 2 2HZ LYS 2 -12.760 32.526 -32.093 24 HZ3 LYS 2 3HZ LYS 2 -11.491 33.359 -32.736 25 H GLN 3 H GLN 3 -13.646 30.567 -25.438 26 HA GLN 3 HA GLN 3 -11.535 30.942 -23.481 27 HB2 GLN 3 2HB GLN 3 -14.501 31.346 -22.859 28 HB3 GLN 3 3HB GLN 3 -13.333 30.847 -21.630 29 HG2 GLN 3 2HG GLN 3 -12.012 32.895 -21.990 30 HG3 GLN 3 3HG GLN 3 -13.140 33.419 -23.249 31 HE21 GLN 3 1HE2 GLN 3 -13.097 32.504 -19.736 32 HE22 GLN 3 2HE2 GLN 3 -14.390 33.624 -19.343 33 H ASP 4 H ASP 4 -11.683 29.049 -21.922 34 HA ASP 4 HA ASP 4 -12.365 26.596 -23.334 35 HB2 ASP 4 2HB ASP 4 -10.921 27.397 -20.829 36 HB3 ASP 4 3HB ASP 4 -11.714 25.823 -20.787 37 H GLY 5 H GLY 5 -13.484 24.885 -21.876 38 HA2 GLY 5 2HA GLY 5 -16.109 26.012 -20.986 39 HA3 GLY 5 3HA GLY 5 -15.857 24.391 -21.653 40 H GLU 6 H GLU 6 -15.335 22.702 -20.241 41 HA GLU 6 HA GLU 6 -14.335 23.228 -17.564 42 HB2 GLU 6 2HB GLU 6 -17.187 22.637 -18.175 43 HB3 GLU 6 3HB GLU 6 -16.475 21.444 -17.102 44 HG2 GLU 6 2HG GLU 6 -16.324 24.444 -16.595 45 HG3 GLU 6 3HG GLU 6 -17.587 23.387 -15.959 46 H GLU 7 H GLU 7 -13.785 20.998 -16.548 47 HA GLU 7 HA GLU 7 -13.891 18.738 -18.262 48 HB2 GLU 7 2HB GLU 7 -11.898 19.845 -19.259 49 HB3 GLU 7 3HB GLU 7 -11.157 19.968 -17.661 50 HG2 GLU 7 2HG GLU 7 -10.231 18.090 -18.954 51 HG3 GLU 7 3HG GLU 7 -11.024 17.522 -17.491 52 H GLY 8 H GLY 8 -13.842 17.024 -16.969 53 HA2 GLY 8 2HA GLY 8 -13.803 17.486 -14.019 54 HA3 GLY 8 3HA GLY 8 -14.572 16.126 -14.858 55 H THR 9 H THR 9 -13.503 14.596 -13.441 56 HA THR 9 HA THR 9 -10.926 13.823 -14.464 57 HB THR 9 HB THR 9 -10.200 15.320 -12.709 58 HG1 THR 9 1HG THR 9 -9.724 12.906 -11.482 59 HG21 THR 9 1HG2 THR 9 -11.803 13.533 -10.847 60 HG22 THR 9 2HG2 THR 9 -10.690 14.835 -10.351 61 HG23 THR 9 3HG2 THR 9 -12.169 15.222 -11.255 62 H GLU 10 H GLU 10 -10.375 11.618 -13.264 63 HA GLU 10 HA GLU 10 -12.634 9.891 -13.682 64 HB2 GLU 10 2HB GLU 10 -9.776 9.622 -13.293 65 HB3 GLU 10 3HB GLU 10 -10.600 8.559 -12.142 66 HG2 GLU 10 2HG GLU 10 -11.947 7.595 -13.985 67 HG3 GLU 10 3HG GLU 10 -11.164 8.692 -15.131 68 H GLU 11 H GLU 11 -13.595 8.424 -12.083 69 HA GLU 11 HA GLU 11 -14.186 9.888 -9.601 70 HB2 GLU 11 2HB GLU 11 -15.420 7.502 -11.030 71 HB3 GLU 11 3HB GLU 11 -15.845 7.918 -9.357 72 HG2 GLU 11 2HG GLU 11 -16.529 10.171 -10.042 73 HG3 GLU 11 3HG GLU 11 -16.082 9.823 -11.718 74 H ASP 12 H ASP 12 -12.177 9.708 -8.556 75 HA ASP 12 HA ASP 12 -12.522 7.465 -6.740 76 HB2 ASP 12 2HB ASP 12 -10.733 6.578 -8.125 77 HB3 ASP 12 3HB ASP 12 -9.821 8.091 -7.967 78 H THR 13 H THR 13 -12.363 8.228 -4.741 79 HA THR 13 HA THR 13 -10.732 10.548 -4.062 80 HB THR 13 HB THR 13 -13.690 10.697 -3.384 81 HG1 THR 13 1HG THR 13 -12.301 11.546 -5.644 82 HG21 THR 13 1HG2 THR 13 -11.388 12.700 -3.265 83 HG22 THR 13 2HG2 THR 13 -13.099 13.168 -3.152 84 HG23 THR 13 3HG2 THR 13 -12.395 12.128 -1.914 85 H GLU 14 H GLU 14 -10.964 7.597 -3.481 86 HA GLU 14 HA GLU 14 -11.214 7.657 -0.508 87 HB2 GLU 14 2HB GLU 14 -12.968 6.279 -2.480 88 HB3 GLU 14 3HB GLU 14 -12.388 5.250 -1.177 89 HG2 GLU 14 2HG GLU 14 -13.507 7.960 -0.454 90 HG3 GLU 14 3HG GLU 14 -14.619 6.683 -0.937 91 H GLU 15 H GLU 15 -10.129 5.796 -3.486 92 HA GLU 15 HA GLU 15 -8.639 4.028 -1.726 93 HB2 GLU 15 2HB GLU 15 -8.703 4.181 -4.767 94 HB3 GLU 15 3HB GLU 15 -8.015 2.895 -3.747 95 HG2 GLU 15 2HG GLU 15 -10.389 2.807 -2.644 96 HG3 GLU 15 3HG GLU 15 -10.934 3.715 -4.055 97 H LYS 16 H LYS 16 -7.171 5.263 -0.647 98 HA LYS 16 HA LYS 16 -5.072 6.611 -2.307 99 HB2 LYS 16 2HB LYS 16 -4.612 7.883 -0.067 100 HB3 LYS 16 3HB LYS 16 -5.918 8.412 -1.118 101 HG2 LYS 16 2HG LYS 16 -7.588 7.371 0.207 102 HG3 LYS 16 3HG LYS 16 -6.375 6.457 1.112 103 HD2 LYS 16 2HD LYS 16 -7.236 8.203 2.506 104 HD3 LYS 16 3HD LYS 16 -5.567 8.646 2.081 105 HE2 LYS 16 2HE LYS 16 -6.326 10.241 0.436 106 HE3 LYS 16 3HE LYS 16 -7.974 9.591 0.471 107 HZ1 LYS 16 1HZ LYS 16 -7.793 11.650 1.697 108 HZ2 LYS 16 2HZ LYS 16 -8.235 10.412 2.683 109 HZ3 LYS 16 3HZ LYS 16 -6.689 10.987 2.727 110 H CYS 17 H CYS 17 -3.078 6.148 -2.107 111 HA CYS 17 HA CYS 17 -1.835 3.850 -0.792 112 HB2 CYS 17 2HB CYS 17 -1.082 5.029 -2.869 113 HB3 CYS 17 3HB CYS 17 -0.861 6.484 -1.930 114 H THR 18 H THR 18 -1.550 3.751 1.395 115 HA THR 18 HA THR 18 -1.674 6.177 2.975 116 HB THR 18 HB THR 18 -2.605 3.947 3.642 117 HG1 THR 18 1HG THR 18 -0.945 5.543 5.253 118 HG21 THR 18 1HG2 THR 18 -0.522 2.662 3.040 119 HG22 THR 18 2HG2 THR 18 0.270 3.369 4.458 120 HG23 THR 18 3HG2 THR 18 -1.155 2.337 4.679 121 H ILE 19 H ILE 19 0.944 4.560 1.346 122 HA ILE 19 HA ILE 19 2.989 5.237 3.290 123 HB ILE 19 HB ILE 19 2.861 4.025 0.529 124 HG12 ILE 19 2HG1 ILE 19 4.156 2.835 2.988 125 HG13 ILE 19 3HG1 ILE 19 2.391 2.846 2.876 126 HG21 ILE 19 1HG2 ILE 19 4.894 5.294 0.420 127 HG22 ILE 19 2HG2 ILE 19 5.349 4.829 2.078 128 HG23 ILE 19 3HG2 ILE 19 5.360 3.626 0.773 129 HD11 ILE 19 1HD1 ILE 19 2.410 1.636 0.804 130 HD12 ILE 19 2HD1 ILE 19 4.179 1.717 0.695 131 HD13 ILE 19 3HD1 ILE 19 3.425 0.764 1.984 132 H CYS 20 H CYS 20 2.049 6.369 -0.021 133 HA CYS 20 HA CYS 20 3.745 8.835 0.282 134 HB2 CYS 20 2HB CYS 20 3.160 9.203 -2.022 135 HB3 CYS 20 3HB CYS 20 3.892 7.605 -1.814 136 H LEU 21 H LEU 21 0.688 7.839 1.302 137 HA LEU 21 HA LEU 21 -1.252 8.860 1.763 138 HB2 LEU 21 2HB LEU 21 0.712 11.069 2.416 139 HB3 LEU 21 3HB LEU 21 -0.979 11.064 2.934 140 HG LEU 21 HG LEU 21 0.957 8.802 3.594 141 HD11 LEU 21 1HD1 LEU 21 1.120 9.804 5.828 142 HD12 LEU 21 2HD1 LEU 21 1.785 10.865 4.575 143 HD13 LEU 21 3HD1 LEU 21 0.180 11.213 5.268 144 HD21 LEU 21 1HD2 LEU 21 -1.471 8.232 3.741 145 HD22 LEU 21 2HD2 LEU 21 -0.706 8.259 5.328 146 HD23 LEU 21 3HD2 LEU 21 -1.724 9.623 4.815 147 H SER 22 H SER 22 -1.240 8.656 -0.797 148 HA SER 22 HA SER 22 -2.396 11.220 -1.733 149 HB2 SER 22 2HB SER 22 0.054 10.921 -2.464 150 HB3 SER 22 3HB SER 22 -0.530 9.581 -3.475 151 HG SER 22 HG SER 22 -0.523 11.589 -4.585 152 H ILE 23 H ILE 23 -3.941 10.873 -3.526 153 HA ILE 23 HA ILE 23 -5.512 8.462 -3.207 154 HB ILE 23 HB ILE 23 -5.574 10.973 -4.926 155 HG12 ILE 23 2HG1 ILE 23 -6.123 11.063 -2.408 156 HG13 ILE 23 3HG1 ILE 23 -7.290 11.764 -3.523 157 HG21 ILE 23 1HG2 ILE 23 -6.637 9.395 -6.324 158 HG22 ILE 23 2HG2 ILE 23 -7.542 8.682 -4.985 159 HG23 ILE 23 3HG2 ILE 23 -7.918 10.327 -5.561 160 HD11 ILE 23 1HD1 ILE 23 -8.294 10.364 -1.674 161 HD12 ILE 23 2HD1 ILE 23 -8.781 9.897 -3.307 162 HD13 ILE 23 3HD1 ILE 23 -7.584 8.928 -2.447 163 H LEU 24 H LEU 24 -5.967 7.029 -5.035 164 HA LEU 24 HA LEU 24 -3.692 6.572 -6.846 165 HB2 LEU 24 2HB LEU 24 -6.058 4.874 -5.946 166 HB3 LEU 24 3HB LEU 24 -4.660 4.330 -6.867 167 HG LEU 24 HG LEU 24 -4.322 5.399 -4.059 168 HD11 LEU 24 1HD1 LEU 24 -4.244 3.100 -3.363 169 HD12 LEU 24 2HD1 LEU 24 -5.805 3.434 -4.154 170 HD13 LEU 24 3HD1 LEU 24 -4.543 2.543 -5.043 171 HD21 LEU 24 1HD2 LEU 24 -2.250 3.943 -4.347 172 HD22 LEU 24 2HD2 LEU 24 -2.637 3.878 -6.068 173 HD23 LEU 24 3HD2 LEU 24 -2.319 5.464 -5.299 174 H GLU 25 H GLU 25 -5.768 4.858 -8.433 175 HA GLU 25 HA GLU 25 -7.611 6.786 -9.544 176 HB2 GLU 25 2HB GLU 25 -6.562 6.767 -11.813 177 HB3 GLU 25 3HB GLU 25 -5.587 7.574 -10.591 178 HG2 GLU 25 2HG GLU 25 -4.496 5.096 -10.443 179 HG3 GLU 25 3HG GLU 25 -5.042 5.078 -12.119 180 H GLU 26 H GLU 26 -7.963 5.310 -12.065 181 HA GLU 26 HA GLU 26 -8.183 2.487 -11.085 182 HB2 GLU 26 2HB GLU 26 -10.419 3.418 -11.179 183 HB3 GLU 26 3HB GLU 26 -10.155 4.008 -12.820 184 HG2 GLU 26 2HG GLU 26 -10.809 2.045 -13.690 185 HG3 GLU 26 3HG GLU 26 -9.544 1.185 -12.823 186 H GLY 27 H GLY 27 -6.137 1.988 -11.942 187 HA2 GLY 27 2HA GLY 27 -5.872 0.483 -14.018 188 HA3 GLY 27 3HA GLY 27 -5.990 1.983 -14.946 189 H GLU 28 H GLU 28 -4.264 1.141 -11.938 190 HA GLU 28 HA GLU 28 -1.741 2.205 -13.045 191 HB2 GLU 28 2HB GLU 28 -1.485 3.504 -11.178 192 HB3 GLU 28 3HB GLU 28 -3.145 3.751 -11.691 193 HG2 GLU 28 2HG GLU 28 -2.397 1.721 -9.589 194 HG3 GLU 28 3HG GLU 28 -2.550 3.412 -9.183 195 H ASP 29 H ASP 29 0.018 1.879 -10.998 196 HA ASP 29 HA ASP 29 0.180 -1.026 -10.667 197 HB2 ASP 29 2HB ASP 29 2.438 -0.621 -10.076 198 HB3 ASP 29 3HB ASP 29 2.078 0.263 -11.528 199 H VAL 30 H VAL 30 -0.819 -1.839 -8.906 200 HA VAL 30 HA VAL 30 -0.381 -0.515 -6.328 201 HB VAL 30 HB VAL 30 -2.765 -0.977 -5.624 202 HG11 VAL 30 1HG1 VAL 30 -2.223 1.251 -5.827 203 HG12 VAL 30 2HG1 VAL 30 -2.116 1.188 -7.584 204 HG13 VAL 30 3HG1 VAL 30 -3.691 1.064 -6.805 205 HG21 VAL 30 1HG2 VAL 30 -3.303 -1.082 -8.621 206 HG22 VAL 30 2HG2 VAL 30 -3.346 -2.499 -7.539 207 HG23 VAL 30 3HG2 VAL 30 -4.488 -1.164 -7.308 208 H ARG 31 H ARG 31 -1.349 -2.240 -4.622 209 HA ARG 31 HA ARG 31 -0.647 -4.947 -5.338 210 HB2 ARG 31 2HB ARG 31 1.279 -3.024 -4.112 211 HB3 ARG 31 3HB ARG 31 1.098 -4.509 -3.183 212 HG2 ARG 31 2HG ARG 31 1.524 -4.816 -6.137 213 HG3 ARG 31 3HG ARG 31 2.890 -4.267 -5.170 214 HD2 ARG 31 2HD ARG 31 1.299 -6.661 -4.256 215 HD3 ARG 31 3HD ARG 31 2.495 -6.834 -5.552 216 HE ARG 31 HE ARG 31 3.962 -5.526 -3.745 217 HH11 ARG 31 1HH1 ARG 31 4.994 -8.098 -1.594 218 HH12 ARG 31 2HH1 ARG 31 5.404 -6.573 -2.283 219 HH21 ARG 31 1HH2 ARG 31 2.968 -9.163 -2.207 220 HH22 ARG 31 2HH2 ARG 31 1.910 -8.378 -3.321 221 H ARG 32 H ARG 32 -0.575 -6.196 -3.041 222 HA ARG 32 HA ARG 32 -2.646 -5.045 -1.295 223 HB2 ARG 32 2HB ARG 32 -3.366 -6.595 -3.401 224 HB3 ARG 32 3HB ARG 32 -2.950 -7.889 -2.288 225 HG2 ARG 32 2HG ARG 32 -4.952 -5.634 -1.763 226 HG3 ARG 32 3HG ARG 32 -5.352 -7.248 -2.343 227 HD2 ARG 32 2HD ARG 32 -3.906 -7.838 -0.044 228 HD3 ARG 32 3HD ARG 32 -4.687 -6.326 0.397 229 HE ARG 32 HE ARG 32 -6.741 -7.346 0.391 230 HH11 ARG 32 1HH1 ARG 32 -7.702 -10.626 -0.479 231 HH12 ARG 32 2HH1 ARG 32 -8.215 -9.140 0.226 232 HH21 ARG 32 1HH2 ARG 32 -5.488 -10.847 -1.289 233 HH22 ARG 32 2HH2 ARG 32 -4.410 -9.506 -1.148 234 H LEU 33 H LEU 33 -2.578 -5.990 0.801 235 HA LEU 33 HA LEU 33 -0.427 -7.921 1.419 236 HB2 LEU 33 2HB LEU 33 -0.445 -6.314 3.627 237 HB3 LEU 33 3HB LEU 33 0.732 -6.179 2.326 238 HG LEU 33 HG LEU 33 -1.836 -4.611 2.172 239 HD11 LEU 33 1HD1 LEU 33 -0.572 -2.768 3.398 240 HD12 LEU 33 2HD1 LEU 33 -1.207 -4.078 4.385 241 HD13 LEU 33 3HD1 LEU 33 0.526 -4.022 3.990 242 HD21 LEU 33 1HD2 LEU 33 -0.486 -3.056 0.939 243 HD22 LEU 33 2HD2 LEU 33 1.025 -3.772 1.548 244 HD23 LEU 33 3HD2 LEU 33 0.053 -4.635 0.350 245 HA PRO 34 HA PRO 34 -3.488 -10.019 3.606 246 HB2 PRO 34 2HB PRO 34 -2.336 -10.804 5.996 247 HB3 PRO 34 3HB PRO 34 -1.957 -11.511 4.397 248 HG2 PRO 34 2HG PRO 34 -0.412 -9.413 5.926 249 HG3 PRO 34 3HG PRO 34 0.198 -10.820 4.995 250 HD2 PRO 34 2HD PRO 34 0.124 -8.242 4.066 251 HD3 PRO 34 3HD PRO 34 0.032 -9.624 2.977 252 H CYS 35 H CYS 35 -2.084 -7.297 5.280 253 HA CYS 35 HA CYS 35 -4.242 -6.746 7.215 254 HB2 CYS 35 2HB CYS 35 -1.955 -6.036 7.524 255 HB3 CYS 35 3HB CYS 35 -1.965 -5.215 5.973 256 H MET 36 H MET 36 -4.985 -7.309 4.189 257 HA MET 36 HA MET 36 -6.416 -6.462 2.661 258 HB2 MET 36 2HB MET 36 -8.604 -5.869 3.695 259 HB3 MET 36 3HB MET 36 -7.874 -7.358 4.296 260 HG2 MET 36 2HG MET 36 -7.104 -6.224 6.319 261 HG3 MET 36 3HG MET 36 -7.766 -4.687 5.746 262 HE1 MET 36 1HE MET 36 -8.631 -4.885 8.379 263 HE2 MET 36 2HE MET 36 -9.816 -6.103 8.910 264 HE3 MET 36 3HE MET 36 -8.155 -6.594 8.507 265 H HIS 37 H HIS 37 -4.391 -4.759 2.713 266 HA HIS 37 HA HIS 37 -5.589 -2.034 2.737 267 HB2 HIS 37 1HB HIS 37 -3.399 -3.168 4.216 268 HB3 HIS 37 2HB HIS 37 -2.690 -2.119 3.002 269 HD2 HIS 37 2HD HIS 37 -5.029 0.222 3.202 270 HE1 HIS 37 1HE HIS 37 -3.319 0.725 7.070 271 HE2 HIS 37 2HE HIS 37 -4.745 1.821 5.251 272 H LEU 38 H LEU 38 -5.510 -1.046 0.712 273 HA LEU 38 HA LEU 38 -4.035 -2.430 -1.445 274 HB2 LEU 38 2HB LEU 38 -6.466 -1.824 -1.613 275 HB3 LEU 38 3HB LEU 38 -6.034 -0.122 -1.527 276 HG LEU 38 HG LEU 38 -4.956 -2.039 -3.658 277 HD11 LEU 38 1HD1 LEU 38 -7.352 -0.164 -3.740 278 HD12 LEU 38 2HD1 LEU 38 -6.717 -1.061 -5.127 279 HD13 LEU 38 3HD1 LEU 38 -7.434 -1.935 -3.762 280 HD21 LEU 38 1HD2 LEU 38 -3.609 -0.032 -3.615 281 HD22 LEU 38 2HD2 LEU 38 -4.791 0.214 -4.900 282 HD23 LEU 38 3HD2 LEU 38 -5.048 0.974 -3.320 283 H PHE 39 H PHE 39 -2.017 -1.675 -1.911 284 HA PHE 39 HA PHE 39 -1.284 1.131 -1.149 285 HB2 PHE 39 2HB PHE 39 0.318 -1.464 -0.977 286 HB3 PHE 39 3HB PHE 39 1.063 0.116 -0.971 287 HD1 PHE 39 1HD PHE 39 2.065 -1.064 1.077 288 HD2 PHE 39 2HD PHE 39 -1.965 0.416 0.989 289 HE1 PHE 39 1HE PHE 39 2.055 -0.950 3.553 290 HE2 PHE 39 2HE PHE 39 -1.980 0.519 3.423 291 HZ PHE 39 HZ PHE 39 0.027 -0.138 4.741 292 H HIS 40 H HIS 40 0.561 1.955 -2.633 293 HA HIS 40 HA HIS 40 0.080 1.289 -5.463 294 HB2 HIS 40 1HB HIS 40 2.031 2.962 -3.947 295 HB3 HIS 40 2HB HIS 40 2.460 2.497 -5.581 296 HD2 HIS 40 2HD HIS 40 0.045 3.128 -7.356 297 HE1 HIS 40 1HE HIS 40 0.251 7.018 -5.636 298 HE2 HIS 40 2HE HIS 40 -0.632 5.627 -7.613 299 H GLN 41 H GLN 41 1.920 0.424 -6.849 300 HA GLN 41 HA GLN 41 3.056 -1.940 -5.613 301 HB2 GLN 41 2HB GLN 41 2.232 -1.686 -7.990 302 HB3 GLN 41 3HB GLN 41 3.727 -0.794 -8.333 303 HG2 GLN 41 2HG GLN 41 5.098 -2.617 -8.083 304 HG3 GLN 41 3HG GLN 41 3.969 -3.488 -7.041 305 HE21 GLN 41 1HE2 GLN 41 1.586 -3.748 -8.358 306 HE22 GLN 41 2HE2 GLN 41 1.896 -4.491 -9.917 307 H VAL 42 H VAL 42 4.558 0.999 -7.172 308 HA VAL 42 HA VAL 42 7.161 0.353 -6.266 309 HB VAL 42 HB VAL 42 6.002 3.123 -6.778 310 HG11 VAL 42 1HG1 VAL 42 8.116 3.307 -5.525 311 HG12 VAL 42 2HG1 VAL 42 8.895 2.148 -6.624 312 HG13 VAL 42 3HG1 VAL 42 8.389 3.747 -7.214 313 HG21 VAL 42 1HG2 VAL 42 7.100 2.830 -9.004 314 HG22 VAL 42 2HG2 VAL 42 7.521 1.162 -8.564 315 HG23 VAL 42 3HG2 VAL 42 5.818 1.644 -8.748 316 H CYS 43 H CYS 43 4.691 2.389 -4.595 317 HA CYS 43 HA CYS 43 6.290 3.081 -2.328 318 HB2 CYS 43 2HB CYS 43 3.319 2.525 -2.298 319 HB3 CYS 43 3HB CYS 43 4.253 3.517 -1.203 320 H VAL 44 H VAL 44 4.104 0.107 -2.756 321 HA VAL 44 HA VAL 44 4.845 -0.718 -0.155 322 HB VAL 44 HB VAL 44 2.756 -1.374 -1.411 323 HG11 VAL 44 1HG1 VAL 44 4.671 -3.478 -2.513 324 HG12 VAL 44 2HG1 VAL 44 2.912 -3.563 -2.537 325 HG13 VAL 44 3HG1 VAL 44 3.746 -2.289 -3.455 326 HG21 VAL 44 1HG2 VAL 44 3.716 -2.348 0.775 327 HG22 VAL 44 2HG2 VAL 44 2.522 -3.317 -0.129 328 HG23 VAL 44 3HG2 VAL 44 4.263 -3.701 -0.207 329 H ASP 45 H ASP 45 6.464 -1.002 -3.232 330 HA ASP 45 HA ASP 45 7.972 -3.353 -2.688 331 HB2 ASP 45 2HB ASP 45 7.779 -2.095 -4.897 332 HB3 ASP 45 3HB ASP 45 8.951 -0.932 -4.259 333 H GLN 46 H GLN 46 8.864 0.108 -2.283 334 HA GLN 46 HA GLN 46 11.131 -0.567 -0.610 335 HB2 GLN 46 2HB GLN 46 9.667 2.082 -1.017 336 HB3 GLN 46 3HB GLN 46 11.153 1.884 -0.068 337 HG2 GLN 46 2HG GLN 46 12.277 0.919 -2.100 338 HG3 GLN 46 3HG GLN 46 10.824 1.294 -3.042 339 HE21 GLN 46 1HE2 GLN 46 11.449 3.028 -4.370 340 HE22 GLN 46 2HE2 GLN 46 12.229 4.470 -3.725 341 H ALA 47 H ALA 47 7.723 -0.105 0.116 342 HA ALA 47 HA ALA 47 8.046 0.275 2.929 343 HB1 ALA 47 1HB ALA 47 5.905 0.441 1.646 344 HB2 ALA 47 2HB ALA 47 5.888 -1.338 1.525 345 HB3 ALA 47 3HB ALA 47 5.785 -0.558 3.115 346 H LEU 48 H LEU 48 7.480 -2.761 1.096 347 HA LEU 48 HA LEU 48 7.720 -4.529 3.186 348 HB2 LEU 48 2HB LEU 48 6.791 -4.884 0.899 349 HB3 LEU 48 3HB LEU 48 8.421 -5.008 0.249 350 HG LEU 48 HG LEU 48 7.483 -6.823 2.502 351 HD11 LEU 48 1HD1 LEU 48 6.713 -8.449 0.846 352 HD12 LEU 48 2HD1 LEU 48 5.779 -6.950 0.721 353 HD13 LEU 48 3HD1 LEU 48 7.062 -7.299 -0.467 354 HD21 LEU 48 1HD2 LEU 48 9.909 -6.944 1.874 355 HD22 LEU 48 2HD2 LEU 48 9.061 -8.433 1.450 356 HD23 LEU 48 3HD2 LEU 48 9.448 -7.242 0.191 357 H ILE 49 H ILE 49 10.353 -3.436 0.929 358 HA ILE 49 HA ILE 49 12.309 -5.065 2.236 359 HB ILE 49 HB ILE 49 13.968 -3.894 1.041 360 HG12 ILE 49 2HG1 ILE 49 12.949 -1.894 -0.488 361 HG13 ILE 49 3HG1 ILE 49 12.098 -1.644 1.048 362 HG21 ILE 49 1HG2 ILE 49 13.235 -4.198 -1.223 363 HG22 ILE 49 2HG2 ILE 49 12.498 -5.446 -0.205 364 HG23 ILE 49 3HG2 ILE 49 11.536 -4.063 -0.760 365 HD11 ILE 49 1HD1 ILE 49 15.108 -1.830 0.687 366 HD12 ILE 49 2HD1 ILE 49 14.172 -0.353 0.999 367 HD13 ILE 49 3HD1 ILE 49 14.277 -1.615 2.242 368 H THR 50 H THR 50 11.051 -1.819 3.040 369 HA THR 50 HA THR 50 13.167 -1.216 4.884 370 HB THR 50 HB THR 50 10.344 -0.154 4.500 371 HG1 THR 50 1HG THR 50 11.731 0.516 2.977 372 HG21 THR 50 1HG2 THR 50 10.967 1.712 5.994 373 HG22 THR 50 2HG2 THR 50 10.813 0.187 6.876 374 HG23 THR 50 3HG2 THR 50 12.430 0.828 6.485 375 H ASN 51 H ASN 51 9.789 -2.401 5.351 376 HA ASN 51 HA ASN 51 10.680 -4.402 7.168 377 HB2 ASN 51 2HB ASN 51 9.485 -1.918 8.239 378 HB3 ASN 51 3HB ASN 51 8.438 -3.283 8.566 379 HD21 ASN 51 1HD2 ASN 51 10.515 -5.359 8.980 380 HD22 ASN 51 2HD2 ASN 51 11.445 -4.804 10.357 381 H LYS 52 H LYS 52 9.476 -6.141 6.440 382 HA LYS 52 HA LYS 52 7.337 -5.994 4.632 383 HB2 LYS 52 2HB LYS 52 8.014 -8.151 6.684 384 HB3 LYS 52 3HB LYS 52 6.829 -8.329 5.391 385 HG2 LYS 52 2HG LYS 52 8.456 -8.996 4.022 386 HG3 LYS 52 3HG LYS 52 9.105 -7.362 4.063 387 HD2 LYS 52 2HD LYS 52 10.562 -7.944 5.961 388 HD3 LYS 52 3HD LYS 52 9.863 -9.583 5.991 389 HE2 LYS 52 2HE LYS 52 10.580 -9.898 3.627 390 HE3 LYS 52 3HE LYS 52 11.368 -8.303 3.653 391 HZ1 LYS 52 1HZ LYS 52 11.987 -10.646 5.316 392 HZ2 LYS 52 2HZ LYS 52 12.891 -10.132 4.066 393 HZ3 LYS 52 3HZ LYS 52 12.793 -9.198 5.439 394 H LYS 53 H LYS 53 6.935 -6.723 8.102 395 HA LYS 53 HA LYS 53 4.228 -6.533 8.124 396 HB2 LYS 53 2HB LYS 53 4.415 -6.157 10.559 397 HB3 LYS 53 3HB LYS 53 5.696 -7.248 10.021 398 HG2 LYS 53 2HG LYS 53 7.035 -4.893 9.774 399 HG3 LYS 53 3HG LYS 53 5.871 -4.418 11.019 400 HD2 LYS 53 2HD LYS 53 6.642 -6.438 12.358 401 HD3 LYS 53 3HD LYS 53 7.873 -6.713 11.099 402 HE2 LYS 53 2HE LYS 53 8.634 -4.301 11.465 403 HE3 LYS 53 3HE LYS 53 7.546 -4.242 12.858 404 HZ1 LYS 53 1HZ LYS 53 8.813 -6.099 13.797 405 HZ2 LYS 53 2HZ LYS 53 9.842 -6.064 12.512 406 HZ3 LYS 53 3HZ LYS 53 9.764 -4.778 13.531 407 H CYS 54 H CYS 54 2.630 -5.161 8.150 408 HA CYS 54 HA CYS 54 2.842 -2.789 6.655 409 HB2 CYS 54 2HB CYS 54 0.797 -4.147 7.013 410 HB3 CYS 54 3HB CYS 54 0.757 -3.611 8.696 411 HA PRO 55 HA PRO 55 4.888 -0.288 9.621 412 HB2 PRO 55 2HB PRO 55 4.539 2.260 8.606 413 HB3 PRO 55 3HB PRO 55 5.575 1.011 7.856 414 HG2 PRO 55 2HG PRO 55 2.688 1.670 7.184 415 HG3 PRO 55 3HG PRO 55 4.079 1.544 6.055 416 HD2 PRO 55 2HD PRO 55 2.424 -0.545 6.397 417 HD3 PRO 55 3HD PRO 55 4.193 -0.826 6.343 418 H ILE 56 H ILE 56 1.602 -0.425 9.708 419 HA ILE 56 HA ILE 56 1.588 1.035 12.242 420 HB ILE 56 HB ILE 56 0.726 2.722 10.826 421 HG12 ILE 56 2HG1 ILE 56 -1.712 1.419 12.099 422 HG13 ILE 56 3HG1 ILE 56 -0.401 2.139 13.043 423 HG21 ILE 56 1HG2 ILE 56 -1.410 0.833 9.756 424 HG22 ILE 56 2HG2 ILE 56 -1.133 2.516 9.298 425 HG23 ILE 56 3HG2 ILE 56 0.054 1.299 8.854 426 HD11 ILE 56 1HD1 ILE 56 -2.214 3.748 12.772 427 HD12 ILE 56 2HD1 ILE 56 -0.765 4.317 11.918 428 HD13 ILE 56 3HD1 ILE 56 -2.126 3.616 11.008 429 H CYS 57 H CYS 57 -0.268 -1.080 9.978 430 HA CYS 57 HA CYS 57 -2.008 -2.137 11.967 431 HB2 CYS 57 2HB CYS 57 -1.179 -3.743 9.589 432 HB3 CYS 57 3HB CYS 57 -2.758 -3.548 10.333 433 H ARG 58 H ARG 58 1.346 -2.978 11.292 434 HA ARG 58 HA ARG 58 2.748 -4.203 12.540 435 HB2 ARG 58 2HB ARG 58 1.085 -3.483 14.380 436 HB3 ARG 58 3HB ARG 58 0.468 -5.142 14.302 437 HG2 ARG 58 2HG ARG 58 2.742 -5.999 14.842 438 HG3 ARG 58 3HG ARG 58 3.319 -4.312 14.957 439 HD2 ARG 58 2HD ARG 58 1.585 -3.857 16.678 440 HD3 ARG 58 3HD ARG 58 1.041 -5.545 16.571 441 HE ARG 58 HE ARG 58 3.787 -5.595 17.130 442 HH11 ARG 58 1HH1 ARG 58 3.529 -5.555 20.659 443 HH12 ARG 58 2HH1 ARG 58 4.556 -5.906 19.319 444 HH21 ARG 58 1HH2 ARG 58 1.324 -4.749 20.277 445 HH22 ARG 58 2HH2 ARG 58 0.793 -4.531 18.648 446 H VAL 59 H VAL 59 -0.141 -5.859 11.359 447 HA VAL 59 HA VAL 59 0.778 -8.536 11.608 448 HB VAL 59 HB VAL 59 -0.892 -7.313 9.374 449 HG11 VAL 59 1HG1 VAL 59 -0.741 -10.173 10.412 450 HG12 VAL 59 2HG1 VAL 59 -1.920 -9.574 9.226 451 HG13 VAL 59 3HG1 VAL 59 -0.208 -9.592 8.818 452 HG21 VAL 59 1HG2 VAL 59 -1.932 -6.777 11.562 453 HG22 VAL 59 2HG2 VAL 59 -2.869 -8.011 10.725 454 HG23 VAL 59 3HG2 VAL 59 -1.785 -8.480 12.051 455 H ASP 60 H ASP 60 1.992 -9.842 10.244 456 HA ASP 60 HA ASP 60 3.998 -8.394 8.693 457 HB2 ASP 60 2HB ASP 60 4.569 -10.263 10.271 458 HB3 ASP 60 3HB ASP 60 3.884 -11.373 9.072 459 H ILE 61 H ILE 61 4.331 -8.689 6.476 460 HA ILE 61 HA ILE 61 2.044 -9.847 4.979 461 HB ILE 61 HB ILE 61 2.274 -8.169 3.383 462 HG12 ILE 61 2HG1 ILE 61 4.891 -7.434 4.729 463 HG13 ILE 61 3HG1 ILE 61 4.719 -8.171 3.147 464 HG21 ILE 61 1HG2 ILE 61 1.765 -6.194 4.621 465 HG22 ILE 61 2HG2 ILE 61 1.352 -7.506 5.737 466 HG23 ILE 61 3HG2 ILE 61 2.888 -6.621 5.924 467 HD11 ILE 61 1HD1 ILE 61 5.088 -5.847 2.831 468 HD12 ILE 61 2HD1 ILE 61 3.406 -6.276 2.364 469 HD13 ILE 61 3HD1 ILE 61 3.727 -5.423 3.900 470 H GLU 62 H GLU 62 5.399 -10.126 5.609 471 HA GLU 62 HA GLU 62 6.370 -11.148 3.201 472 HB2 GLU 62 2HB GLU 62 7.684 -10.751 5.334 473 HB3 GLU 62 3HB GLU 62 7.066 -12.288 5.943 474 HG2 GLU 62 2HG GLU 62 8.014 -13.418 3.883 475 HG3 GLU 62 3HG GLU 62 8.656 -11.857 3.369 476 H ALA 63 H ALA 63 4.846 -12.334 2.068 477 HA ALA 63 HA ALA 63 3.726 -14.796 3.200 478 HB1 ALA 63 1HB ALA 63 2.523 -14.914 1.067 479 HB2 ALA 63 2HB ALA 63 2.443 -13.260 1.685 480 HB3 ALA 63 3HB ALA 63 3.571 -13.654 0.368 481 H GLN 64 H GLN 64 3.839 -16.527 0.988 482 HA GLN 64 HA GLN 64 6.377 -17.744 1.326 483 HB2 GLN 64 2HB GLN 64 4.242 -18.894 0.628 484 HB3 GLN 64 3HB GLN 64 4.390 -18.117 -0.953 485 HG2 GLN 64 2HG GLN 64 6.845 -19.224 -0.869 486 HG3 GLN 64 3HG GLN 64 6.066 -20.299 0.291 487 HE21 GLN 64 1HE2 GLN 64 6.773 -19.895 -2.985 488 HE22 GLN 64 2HE2 GLN 64 5.502 -20.931 -3.620 489 H LEU 65 H LEU 65 8.150 -16.501 0.806 490 HA LEU 65 HA LEU 65 8.402 -15.491 -1.988 491 HB2 LEU 65 2HB LEU 65 9.087 -14.409 0.685 492 HB3 LEU 65 3HB LEU 65 10.428 -14.360 -0.441 493 HG LEU 65 HG LEU 65 9.158 -12.294 -0.468 494 HD11 LEU 65 1HD1 LEU 65 9.403 -11.958 -2.709 495 HD12 LEU 65 2HD1 LEU 65 10.195 -13.536 -2.615 496 HD13 LEU 65 3HD1 LEU 65 8.515 -13.421 -3.172 497 HD21 LEU 65 1HD2 LEU 65 6.906 -13.219 0.049 498 HD22 LEU 65 2HD2 LEU 65 6.901 -12.127 -1.355 499 HD23 LEU 65 3HD2 LEU 65 6.810 -13.882 -1.594 500 HA PRO 66 HA PRO 66 11.265 -18.984 -1.820 501 HB2 PRO 66 2HB PRO 66 11.538 -19.470 -4.477 502 HB3 PRO 66 3HB PRO 66 9.997 -19.772 -3.625 503 HG2 PRO 66 2HG PRO 66 10.756 -17.307 -5.233 504 HG3 PRO 66 3HG PRO 66 9.277 -18.310 -5.383 505 HD2 PRO 66 2HD PRO 66 9.364 -16.014 -3.885 506 HD3 PRO 66 3HD PRO 66 8.361 -17.419 -3.402 507 H SER 67 H SER 67 12.630 -17.124 -0.887 508 HA SER 67 HA SER 67 14.649 -16.197 -0.685 509 HB2 SER 67 2HB SER 67 15.429 -18.228 -2.002 510 HB3 SER 67 3HB SER 67 15.481 -17.185 -3.432 511 HG SER 67 HG SER 67 16.782 -16.428 -1.040 512 H GLU 68 H GLU 68 13.933 -15.754 -4.188 513 HA GLU 68 HA GLU 68 13.719 -13.940 -5.479 514 HB2 GLU 68 2HB GLU 68 12.461 -13.048 -3.059 515 HB3 GLU 68 3HB GLU 68 13.412 -11.707 -3.680 516 HG2 GLU 68 2HG GLU 68 11.441 -13.349 -5.340 517 HG3 GLU 68 3HG GLU 68 11.011 -11.871 -4.477 518 H SER 69 H SER 69 14.799 -11.581 -5.764 519 HA SER 69 HA SER 69 17.682 -12.147 -5.386 520 HB2 SER 69 2HB SER 69 16.645 -11.929 -7.694 521 HB3 SER 69 3HB SER 69 16.286 -10.235 -7.300 522 HG SER 69 HG SER 69 18.589 -10.094 -6.791 Start of MODEL 25 1 H1 MET 1 H1 MET 1 -14.677 29.919 -30.967 2 H2 MET 1 H2 MET 1 -13.079 30.215 -31.261 3 H3 MET 1 H3 MET 1 -13.530 29.337 -29.939 4 HA MET 1 HA MET 1 -12.923 31.551 -29.263 5 HB2 MET 1 2HB MET 1 -15.132 32.309 -31.218 6 HB3 MET 1 3HB MET 1 -14.476 33.404 -29.992 7 HG2 MET 1 2HG MET 1 -12.258 33.282 -31.003 8 HG3 MET 1 3HG MET 1 -12.837 32.114 -32.205 9 HE1 MET 1 1HE MET 1 -11.859 33.625 -34.158 10 HE2 MET 1 2HE MET 1 -12.258 35.346 -34.364 11 HE3 MET 1 3HE MET 1 -11.289 34.822 -32.967 12 H LYS 2 H LYS 2 -13.612 30.458 -27.262 13 HA LYS 2 HA LYS 2 -15.840 31.818 -26.296 14 HB2 LYS 2 2HB LYS 2 -16.826 29.500 -27.372 15 HB3 LYS 2 3HB LYS 2 -16.316 28.891 -25.798 16 HG2 LYS 2 2HG LYS 2 -17.570 31.187 -25.001 17 HG3 LYS 2 3HG LYS 2 -18.416 30.943 -26.520 18 HD2 LYS 2 2HD LYS 2 -19.210 28.754 -25.782 19 HD3 LYS 2 3HD LYS 2 -18.160 28.820 -24.342 20 HE2 LYS 2 2HE LYS 2 -19.358 30.904 -23.614 21 HE3 LYS 2 3HE LYS 2 -20.476 30.707 -24.970 22 HZ1 LYS 2 1HZ LYS 2 -21.157 28.603 -24.018 23 HZ2 LYS 2 2HZ LYS 2 -20.084 28.761 -22.778 24 HZ3 LYS 2 3HZ LYS 2 -21.348 29.804 -22.910 25 H GLN 3 H GLN 3 -16.188 30.517 -23.865 26 HA GLN 3 HA GLN 3 -13.589 30.742 -22.586 27 HB2 GLN 3 2HB GLN 3 -16.084 31.359 -21.791 28 HB3 GLN 3 3HB GLN 3 -16.092 29.679 -21.250 29 HG2 GLN 3 2HG GLN 3 -14.199 30.103 -19.778 30 HG3 GLN 3 3HG GLN 3 -13.923 31.695 -20.511 31 HE21 GLN 3 1HE2 GLN 3 -15.142 33.508 -19.774 32 HE22 GLN 3 2HE2 GLN 3 -16.365 33.319 -18.526 33 H ASP 4 H ASP 4 -12.774 28.861 -21.252 34 HA ASP 4 HA ASP 4 -12.720 26.475 -22.894 35 HB2 ASP 4 2HB ASP 4 -10.799 27.629 -21.588 36 HB3 ASP 4 3HB ASP 4 -11.476 26.869 -20.144 37 H GLY 5 H GLY 5 -12.846 24.272 -21.610 38 HA2 GLY 5 2HA GLY 5 -15.310 24.238 -19.914 39 HA3 GLY 5 3HA GLY 5 -14.856 22.959 -21.059 40 H GLU 6 H GLU 6 -15.178 21.783 -18.779 41 HA GLU 6 HA GLU 6 -12.568 21.242 -17.628 42 HB2 GLU 6 2HB GLU 6 -14.442 23.147 -16.414 43 HB3 GLU 6 3HB GLU 6 -14.287 21.736 -15.380 44 HG2 GLU 6 2HG GLU 6 -11.850 23.186 -16.494 45 HG3 GLU 6 3HG GLU 6 -12.657 23.689 -15.008 46 H GLU 7 H GLU 7 -12.788 19.250 -16.222 47 HA GLU 7 HA GLU 7 -15.351 17.935 -16.143 48 HB2 GLU 7 2HB GLU 7 -14.663 17.436 -18.477 49 HB3 GLU 7 3HB GLU 7 -13.175 16.692 -17.886 50 HG2 GLU 7 2HG GLU 7 -14.248 14.766 -17.311 51 HG3 GLU 7 3HG GLU 7 -15.551 15.633 -16.500 52 H GLY 8 H GLY 8 -15.298 17.063 -14.165 53 HA2 GLY 8 2HA GLY 8 -12.689 16.257 -12.937 54 HA3 GLY 8 3HA GLY 8 -14.086 16.890 -12.050 55 H THR 9 H THR 9 -14.082 14.916 -10.683 56 HA THR 9 HA THR 9 -15.679 12.826 -11.883 57 HB THR 9 HB THR 9 -13.384 12.078 -12.384 58 HG1 THR 9 1HG THR 9 -13.712 10.035 -11.532 59 HG21 THR 9 1HG2 THR 9 -13.093 11.891 -9.363 60 HG22 THR 9 2HG2 THR 9 -11.904 11.380 -10.580 61 HG23 THR 9 3HG2 THR 9 -12.294 13.103 -10.385 62 H GLU 10 H GLU 10 -16.101 11.157 -9.995 63 HA GLU 10 HA GLU 10 -16.771 12.757 -7.560 64 HB2 GLU 10 2HB GLU 10 -17.945 10.233 -8.772 65 HB3 GLU 10 3HB GLU 10 -18.187 10.646 -7.067 66 HG2 GLU 10 2HG GLU 10 -19.072 12.886 -7.752 67 HG3 GLU 10 3HG GLU 10 -18.959 12.383 -9.444 68 H GLU 11 H GLU 11 -14.844 9.948 -8.669 69 HA GLU 11 HA GLU 11 -14.534 8.811 -6.061 70 HB2 GLU 11 2HB GLU 11 -14.042 7.644 -8.202 71 HB3 GLU 11 3HB GLU 11 -12.619 8.649 -8.436 72 HG2 GLU 11 2HG GLU 11 -13.102 6.803 -6.040 73 HG3 GLU 11 3HG GLU 11 -12.218 6.333 -7.481 74 H ASP 12 H ASP 12 -13.530 9.674 -4.347 75 HA ASP 12 HA ASP 12 -10.905 10.794 -4.618 76 HB2 ASP 12 2HB ASP 12 -12.269 12.856 -5.049 77 HB3 ASP 12 3HB ASP 12 -13.098 12.609 -3.510 78 H THR 13 H THR 13 -9.874 10.430 -2.737 79 HA THR 13 HA THR 13 -9.396 9.370 -0.736 80 HB THR 13 HB THR 13 -11.891 10.938 -0.039 81 HG1 THR 13 1HG THR 13 -10.224 12.096 -0.988 82 HG21 THR 13 1HG2 THR 13 -9.733 9.769 1.770 83 HG22 THR 13 2HG2 THR 13 -10.714 11.189 2.214 84 HG23 THR 13 3HG2 THR 13 -11.497 9.634 1.934 85 H GLU 14 H GLU 14 -11.163 7.869 -2.730 86 HA GLU 14 HA GLU 14 -12.118 5.811 -0.811 87 HB2 GLU 14 2HB GLU 14 -12.485 6.238 -3.792 88 HB3 GLU 14 3HB GLU 14 -12.882 4.724 -2.998 89 HG2 GLU 14 2HG GLU 14 -14.472 5.856 -1.522 90 HG3 GLU 14 3HG GLU 14 -13.953 7.443 -2.088 91 H GLU 15 H GLU 15 -10.090 6.007 -3.844 92 HA GLU 15 HA GLU 15 -8.506 3.767 -2.629 93 HB2 GLU 15 2HB GLU 15 -7.827 3.282 -4.972 94 HB3 GLU 15 3HB GLU 15 -9.500 2.951 -4.542 95 HG2 GLU 15 2HG GLU 15 -10.342 4.768 -5.792 96 HG3 GLU 15 3HG GLU 15 -8.779 5.561 -5.905 97 H LYS 16 H LYS 16 -7.189 5.160 -1.326 98 HA LYS 16 HA LYS 16 -5.069 6.440 -2.978 99 HB2 LYS 16 2HB LYS 16 -4.714 7.999 -0.961 100 HB3 LYS 16 3HB LYS 16 -6.027 8.348 -2.082 101 HG2 LYS 16 2HG LYS 16 -7.688 7.497 -0.600 102 HG3 LYS 16 3HG LYS 16 -6.450 6.807 0.457 103 HD2 LYS 16 2HD LYS 16 -7.465 8.903 1.353 104 HD3 LYS 16 3HD LYS 16 -5.709 9.028 1.147 105 HE2 LYS 16 2HE LYS 16 -5.886 10.408 -0.762 106 HE3 LYS 16 3HE LYS 16 -7.546 9.913 -1.085 107 HZ1 LYS 16 1HZ LYS 16 -8.282 11.161 0.807 108 HZ2 LYS 16 2HZ LYS 16 -6.736 11.646 1.158 109 HZ3 LYS 16 3HZ LYS 16 -7.514 12.113 -0.228 110 H CYS 17 H CYS 17 -3.115 6.062 -2.600 111 HA CYS 17 HA CYS 17 -1.940 3.832 -1.139 112 HB2 CYS 17 2HB CYS 17 -1.162 4.984 -3.260 113 HB3 CYS 17 3HB CYS 17 -0.877 6.424 -2.306 114 H THR 18 H THR 18 -1.766 3.840 1.094 115 HA THR 18 HA THR 18 -1.913 6.307 2.577 116 HB THR 18 HB THR 18 -2.585 3.908 3.273 117 HG1 THR 18 1HG THR 18 -2.203 4.556 5.465 118 HG21 THR 18 1HG2 THR 18 -0.229 3.017 2.971 119 HG22 THR 18 2HG2 THR 18 0.243 3.967 4.392 120 HG23 THR 18 3HG2 THR 18 -0.971 2.682 4.554 121 H ILE 19 H ILE 19 0.784 4.682 0.977 122 HA ILE 19 HA ILE 19 2.759 5.602 2.858 123 HB ILE 19 HB ILE 19 2.801 4.232 0.170 124 HG12 ILE 19 2HG1 ILE 19 3.863 3.178 2.805 125 HG13 ILE 19 3HG1 ILE 19 2.124 3.130 2.502 126 HG21 ILE 19 1HG2 ILE 19 4.812 5.538 0.213 127 HG22 ILE 19 2HG2 ILE 19 5.084 5.185 1.934 128 HG23 ILE 19 3HG2 ILE 19 5.292 3.908 0.721 129 HD11 ILE 19 1HD1 ILE 19 2.411 1.837 0.487 130 HD12 ILE 19 2HD1 ILE 19 4.178 1.946 0.607 131 HD13 ILE 19 3HD1 ILE 19 3.268 1.038 1.828 132 H CYS 20 H CYS 20 1.851 6.501 -0.542 133 HA CYS 20 HA CYS 20 3.504 9.022 -0.337 134 HB2 CYS 20 2HB CYS 20 2.977 9.272 -2.675 135 HB3 CYS 20 3HB CYS 20 3.784 7.728 -2.367 136 H LEU 21 H LEU 21 0.455 8.010 0.630 137 HA LEU 21 HA LEU 21 -1.512 9.036 1.023 138 HB2 LEU 21 2HB LEU 21 0.417 11.308 1.536 139 HB3 LEU 21 3HB LEU 21 -1.266 11.289 2.077 140 HG LEU 21 HG LEU 21 0.731 9.109 2.820 141 HD11 LEU 21 1HD1 LEU 21 1.529 11.249 3.677 142 HD12 LEU 21 2HD1 LEU 21 -0.062 11.562 4.418 143 HD13 LEU 21 3HD1 LEU 21 0.947 10.206 4.985 144 HD21 LEU 21 1HD2 LEU 21 -0.890 8.623 4.615 145 HD22 LEU 21 2HD2 LEU 21 -1.945 9.940 4.053 146 HD23 LEU 21 3HD2 LEU 21 -1.684 8.495 3.052 147 H SER 22 H SER 22 -1.392 8.701 -1.569 148 HA SER 22 HA SER 22 -2.695 11.145 -2.649 149 HB2 SER 22 2HB SER 22 -0.407 11.136 -3.548 150 HB3 SER 22 3HB SER 22 -0.599 9.453 -4.081 151 HG SER 22 HG SER 22 -2.060 10.090 -5.611 152 H ILE 23 H ILE 23 -4.268 10.630 -4.323 153 HA ILE 23 HA ILE 23 -5.577 8.075 -4.116 154 HB ILE 23 HB ILE 23 -5.815 10.605 -5.774 155 HG12 ILE 23 2HG1 ILE 23 -6.599 10.468 -3.351 156 HG13 ILE 23 3HG1 ILE 23 -7.796 11.005 -4.523 157 HG21 ILE 23 1HG2 ILE 23 -7.987 9.664 -6.673 158 HG22 ILE 23 2HG2 ILE 23 -6.492 9.057 -7.379 159 HG23 ILE 23 3HG2 ILE 23 -7.392 8.054 -6.229 160 HD11 ILE 23 1HD1 ILE 23 -7.674 8.054 -3.907 161 HD12 ILE 23 2HD1 ILE 23 -8.376 9.127 -2.722 162 HD13 ILE 23 3HD1 ILE 23 -9.046 9.064 -4.369 163 H LEU 24 H LEU 24 -5.754 6.642 -5.861 164 HA LEU 24 HA LEU 24 -3.335 6.225 -7.499 165 HB2 LEU 24 2HB LEU 24 -5.692 4.478 -6.619 166 HB3 LEU 24 3HB LEU 24 -4.274 3.878 -7.483 167 HG LEU 24 HG LEU 24 -4.053 5.204 -4.744 168 HD11 LEU 24 1HD1 LEU 24 -4.261 2.271 -5.454 169 HD12 LEU 24 2HD1 LEU 24 -3.911 2.959 -3.841 170 HD13 LEU 24 3HD1 LEU 24 -5.477 3.266 -4.615 171 HD21 LEU 24 1HD2 LEU 24 -2.205 3.726 -6.637 172 HD22 LEU 24 2HD2 LEU 24 -1.992 5.302 -5.849 173 HD23 LEU 24 3HD2 LEU 24 -1.884 3.791 -4.899 174 H GLU 25 H GLU 25 -5.000 4.385 -9.230 175 HA GLU 25 HA GLU 25 -7.257 5.725 -10.142 176 HB2 GLU 25 2HB GLU 25 -6.583 6.155 -12.466 177 HB3 GLU 25 3HB GLU 25 -5.608 7.114 -11.346 178 HG2 GLU 25 2HG GLU 25 -3.778 5.438 -11.531 179 HG3 GLU 25 3HG GLU 25 -4.746 4.541 -12.719 180 H GLU 26 H GLU 26 -8.098 4.394 -12.181 181 HA GLU 26 HA GLU 26 -8.069 1.659 -11.364 182 HB2 GLU 26 2HB GLU 26 -9.981 2.897 -12.537 183 HB3 GLU 26 3HB GLU 26 -9.035 2.786 -14.026 184 HG2 GLU 26 2HG GLU 26 -8.973 0.159 -13.190 185 HG3 GLU 26 3HG GLU 26 -10.506 0.666 -12.498 186 H GLY 27 H GLY 27 -6.646 0.068 -11.913 187 HA2 GLY 27 2HA GLY 27 -5.372 -1.266 -13.322 188 HA3 GLY 27 3HA GLY 27 -5.677 -0.116 -14.633 189 H GLU 28 H GLU 28 -4.245 0.912 -11.548 190 HA GLU 28 HA GLU 28 -1.812 1.647 -13.037 191 HB2 GLU 28 2HB GLU 28 -3.358 3.143 -11.498 192 HB3 GLU 28 3HB GLU 28 -2.425 2.441 -10.186 193 HG2 GLU 28 2HG GLU 28 -0.578 3.261 -12.264 194 HG3 GLU 28 3HG GLU 28 -1.720 4.576 -12.041 195 H ASP 29 H ASP 29 0.208 1.718 -11.104 196 HA ASP 29 HA ASP 29 0.726 -1.157 -10.901 197 HB2 ASP 29 2HB ASP 29 2.383 1.268 -10.169 198 HB3 ASP 29 3HB ASP 29 2.940 -0.401 -10.153 199 H VAL 30 H VAL 30 -0.527 -1.954 -9.162 200 HA VAL 30 HA VAL 30 -0.074 -0.692 -6.518 201 HB VAL 30 HB VAL 30 -2.467 -1.107 -5.982 202 HG11 VAL 30 1HG1 VAL 30 -1.944 0.855 -8.251 203 HG12 VAL 30 2HG1 VAL 30 -3.322 0.895 -7.141 204 HG13 VAL 30 3HG1 VAL 30 -1.682 1.144 -6.518 205 HG21 VAL 30 1HG2 VAL 30 -2.853 -1.420 -8.985 206 HG22 VAL 30 2HG2 VAL 30 -2.992 -2.736 -7.797 207 HG23 VAL 30 3HG2 VAL 30 -4.115 -1.365 -7.748 208 H ARG 31 H ARG 31 -0.937 -2.267 -4.778 209 HA ARG 31 HA ARG 31 -0.468 -5.033 -5.515 210 HB2 ARG 31 2HB ARG 31 1.335 -3.290 -3.827 211 HB3 ARG 31 3HB ARG 31 1.168 -4.977 -3.335 212 HG2 ARG 31 2HG ARG 31 2.009 -4.181 -6.142 213 HG3 ARG 31 3HG ARG 31 3.164 -4.432 -4.848 214 HD2 ARG 31 2HD ARG 31 1.142 -6.609 -5.330 215 HD3 ARG 31 3HD ARG 31 2.441 -6.394 -6.517 216 HE ARG 31 HE ARG 31 3.630 -6.387 -3.968 217 HH11 ARG 31 1HH1 ARG 31 4.536 -9.796 -3.998 218 HH12 ARG 31 2HH1 ARG 31 4.884 -8.248 -3.329 219 HH21 ARG 31 1HH2 ARG 31 2.811 -10.029 -5.608 220 HH22 ARG 31 2HH2 ARG 31 1.918 -8.628 -6.084 221 H ARG 32 H ARG 32 -0.928 -6.415 -3.491 222 HA ARG 32 HA ARG 32 -2.806 -5.032 -1.659 223 HB2 ARG 32 2HB ARG 32 -3.783 -6.313 -3.792 224 HB3 ARG 32 3HB ARG 32 -3.409 -7.761 -2.864 225 HG2 ARG 32 2HG ARG 32 -5.290 -5.479 -2.137 226 HG3 ARG 32 3HG ARG 32 -5.703 -7.142 -2.540 227 HD2 ARG 32 2HD ARG 32 -4.114 -7.588 -0.335 228 HD3 ARG 32 3HD ARG 32 -4.670 -5.972 0.023 229 HE ARG 32 HE ARG 32 -6.804 -6.750 0.381 230 HH11 ARG 32 1HH1 ARG 32 -8.276 -9.897 -0.190 231 HH12 ARG 32 2HH1 ARG 32 -8.488 -8.348 0.539 232 HH21 ARG 32 1HH2 ARG 32 -6.222 -10.443 -1.249 233 HH22 ARG 32 2HH2 ARG 32 -4.972 -9.252 -1.301 234 H LEU 33 H LEU 33 -2.191 -5.438 0.303 235 HA LEU 33 HA LEU 33 -0.441 -7.766 0.898 236 HB2 LEU 33 2HB LEU 33 0.000 -6.265 3.007 237 HB3 LEU 33 3HB LEU 33 0.824 -5.910 1.501 238 HG LEU 33 HG LEU 33 -1.813 -4.569 2.031 239 HD11 LEU 33 1HD1 LEU 33 -0.617 -2.800 3.352 240 HD12 LEU 33 2HD1 LEU 33 -0.582 -4.361 4.195 241 HD13 LEU 33 3HD1 LEU 33 0.852 -3.784 3.337 242 HD21 LEU 33 1HD2 LEU 33 0.851 -3.509 0.962 243 HD22 LEU 33 2HD2 LEU 33 -0.406 -4.167 -0.091 244 HD23 LEU 33 3HD2 LEU 33 -0.734 -2.717 0.859 245 HA PRO 34 HA PRO 34 -3.500 -9.774 2.935 246 HB2 PRO 34 2HB PRO 34 -2.406 -10.893 5.204 247 HB3 PRO 34 3HB PRO 34 -1.985 -11.382 3.532 248 HG2 PRO 34 2HG PRO 34 -0.465 -9.550 5.385 249 HG3 PRO 34 3HG PRO 34 0.164 -10.810 4.273 250 HD2 PRO 34 2HD PRO 34 0.089 -8.117 3.770 251 HD3 PRO 34 3HD PRO 34 0.113 -9.326 2.480 252 H CYS 35 H CYS 35 -2.062 -7.248 4.820 253 HA CYS 35 HA CYS 35 -4.081 -6.863 6.911 254 HB2 CYS 35 2HB CYS 35 -1.641 -6.088 6.771 255 HB3 CYS 35 3HB CYS 35 -2.218 -4.934 5.552 256 H MET 36 H MET 36 -4.916 -7.121 3.800 257 HA MET 36 HA MET 36 -6.251 -6.092 2.322 258 HB2 MET 36 2HB MET 36 -7.780 -5.615 4.903 259 HB3 MET 36 3HB MET 36 -8.446 -5.381 3.280 260 HG2 MET 36 2HG MET 36 -7.270 -7.913 3.124 261 HG3 MET 36 3HG MET 36 -7.968 -7.877 4.744 262 HE1 MET 36 1HE MET 36 -10.643 -9.951 2.812 263 HE2 MET 36 2HE MET 36 -8.884 -10.004 2.538 264 HE3 MET 36 3HE MET 36 -9.525 -9.875 4.193 265 H HIS 37 H HIS 37 -4.202 -4.565 2.436 266 HA HIS 37 HA HIS 37 -5.317 -1.813 2.527 267 HB2 HIS 37 1HB HIS 37 -2.940 -2.978 3.865 268 HB3 HIS 37 2HB HIS 37 -2.573 -1.559 2.899 269 HD2 HIS 37 2HD HIS 37 -5.116 0.224 3.421 270 HE1 HIS 37 1HE HIS 37 -4.160 0.007 7.554 271 HE2 HIS 37 2HE HIS 37 -5.502 1.262 5.780 272 H LEU 38 H LEU 38 -5.284 -0.838 0.587 273 HA LEU 38 HA LEU 38 -4.020 -2.171 -1.724 274 HB2 LEU 38 2HB LEU 38 -6.353 -1.463 -1.956 275 HB3 LEU 38 3HB LEU 38 -5.977 0.142 -1.327 276 HG LEU 38 HG LEU 38 -4.584 0.614 -3.343 277 HD11 LEU 38 1HD1 LEU 38 -4.805 -0.876 -5.304 278 HD12 LEU 38 2HD1 LEU 38 -3.945 -1.678 -3.982 279 HD13 LEU 38 3HD1 LEU 38 -5.652 -2.075 -4.308 280 HD21 LEU 38 1HD2 LEU 38 -6.942 1.296 -3.242 281 HD22 LEU 38 2HD2 LEU 38 -6.483 0.852 -4.892 282 HD23 LEU 38 3HD2 LEU 38 -7.442 -0.273 -3.911 283 H PHE 39 H PHE 39 -1.897 -1.577 -2.066 284 HA PHE 39 HA PHE 39 -1.105 1.251 -1.471 285 HB2 PHE 39 2HB PHE 39 0.417 -1.351 -1.036 286 HB3 PHE 39 3HB PHE 39 1.213 0.197 -1.095 287 HD1 PHE 39 1HD PHE 39 -1.795 0.970 0.645 288 HD2 PHE 39 2HD PHE 39 1.926 -1.120 1.123 289 HE1 PHE 39 1HE PHE 39 -2.055 1.076 3.069 290 HE2 PHE 39 2HE PHE 39 1.713 -0.933 3.581 291 HZ PHE 39 HZ PHE 39 -0.295 0.148 4.570 292 H HIS 40 H HIS 40 0.932 1.788 -2.796 293 HA HIS 40 HA HIS 40 0.511 1.175 -5.652 294 HB2 HIS 40 1HB HIS 40 2.227 2.903 -3.986 295 HB3 HIS 40 2HB HIS 40 3.027 2.330 -5.434 296 HD2 HIS 40 2HD HIS 40 1.024 2.806 -7.758 297 HE1 HIS 40 1HE HIS 40 0.738 6.758 -6.239 298 HE2 HIS 40 2HE HIS 40 0.310 5.191 -8.266 299 H GLN 41 H GLN 41 2.499 0.441 -6.901 300 HA GLN 41 HA GLN 41 3.599 -1.985 -5.755 301 HB2 GLN 41 2HB GLN 41 2.766 -1.495 -8.137 302 HB3 GLN 41 3HB GLN 41 4.335 -0.739 -8.426 303 HG2 GLN 41 2HG GLN 41 5.455 -2.775 -8.338 304 HG3 GLN 41 3HG GLN 41 4.300 -3.502 -7.217 305 HE21 GLN 41 1HE2 GLN 41 1.800 -3.511 -8.388 306 HE22 GLN 41 2HE2 GLN 41 1.941 -4.235 -9.970 307 H VAL 42 H VAL 42 5.102 1.067 -7.115 308 HA VAL 42 HA VAL 42 7.674 0.384 -6.072 309 HB VAL 42 HB VAL 42 6.611 3.148 -6.786 310 HG11 VAL 42 1HG1 VAL 42 9.472 2.073 -6.653 311 HG12 VAL 42 2HG1 VAL 42 8.986 3.709 -7.146 312 HG13 VAL 42 3HG1 VAL 42 8.752 3.188 -5.474 313 HG21 VAL 42 1HG2 VAL 42 6.386 1.632 -8.712 314 HG22 VAL 42 2HG2 VAL 42 7.777 2.689 -8.972 315 HG23 VAL 42 3HG2 VAL 42 8.031 1.013 -8.449 316 H CYS 43 H CYS 43 5.083 2.548 -4.704 317 HA CYS 43 HA CYS 43 6.484 3.292 -2.336 318 HB2 CYS 43 2HB CYS 43 3.551 2.598 -2.436 319 HB3 CYS 43 3HB CYS 43 4.388 3.655 -1.331 320 H VAL 44 H VAL 44 4.451 0.240 -2.917 321 HA VAL 44 HA VAL 44 5.073 -0.527 -0.261 322 HB VAL 44 HB VAL 44 3.011 -1.171 -1.577 323 HG11 VAL 44 1HG1 VAL 44 4.869 -3.446 -2.426 324 HG12 VAL 44 2HG1 VAL 44 3.121 -3.347 -2.662 325 HG13 VAL 44 3HG1 VAL 44 4.204 -2.225 -3.521 326 HG21 VAL 44 1HG2 VAL 44 2.717 -3.098 -0.241 327 HG22 VAL 44 2HG2 VAL 44 4.471 -3.403 -0.156 328 HG23 VAL 44 3HG2 VAL 44 3.790 -2.008 0.680 329 H ASP 45 H ASP 45 6.823 -0.897 -3.253 330 HA ASP 45 HA ASP 45 8.430 -3.158 -2.497 331 HB2 ASP 45 2HB ASP 45 8.575 -2.296 -4.756 332 HB3 ASP 45 3HB ASP 45 9.085 -0.707 -4.183 333 H GLN 46 H GLN 46 9.026 0.372 -2.126 334 HA GLN 46 HA GLN 46 11.170 -0.084 -0.266 335 HB2 GLN 46 2HB GLN 46 9.508 2.405 -0.850 336 HB3 GLN 46 3HB GLN 46 10.948 2.395 0.181 337 HG2 GLN 46 2HG GLN 46 10.907 1.570 -2.763 338 HG3 GLN 46 3HG GLN 46 11.452 3.127 -2.139 339 HE21 GLN 46 1HE2 GLN 46 12.499 -0.084 -2.929 340 HE22 GLN 46 2HE2 GLN 46 14.053 0.050 -2.134 341 H ALA 47 H ALA 47 7.711 0.073 0.250 342 HA ALA 47 HA ALA 47 7.893 0.480 3.095 343 HB1 ALA 47 1HB ALA 47 5.827 0.681 1.693 344 HB2 ALA 47 2HB ALA 47 5.799 -1.098 1.568 345 HB3 ALA 47 3HB ALA 47 5.618 -0.320 3.152 346 H LEU 48 H LEU 48 7.351 -2.510 1.227 347 HA LEU 48 HA LEU 48 7.455 -4.379 3.259 348 HB2 LEU 48 2HB LEU 48 6.555 -4.693 1.012 349 HB3 LEU 48 3HB LEU 48 8.157 -4.605 0.291 350 HG LEU 48 HG LEU 48 7.592 -6.715 2.386 351 HD11 LEU 48 1HD1 LEU 48 6.778 -6.875 -0.547 352 HD12 LEU 48 2HD1 LEU 48 6.770 -8.233 0.604 353 HD13 LEU 48 3HD1 LEU 48 5.678 -6.864 0.845 354 HD21 LEU 48 1HD2 LEU 48 9.136 -8.050 0.943 355 HD22 LEU 48 2HD2 LEU 48 9.254 -6.692 -0.189 356 HD23 LEU 48 3HD2 LEU 48 9.913 -6.543 1.448 357 H ILE 49 H ILE 49 10.184 -3.145 1.232 358 HA ILE 49 HA ILE 49 12.105 -4.855 2.546 359 HB ILE 49 HB ILE 49 13.795 -3.548 1.466 360 HG12 ILE 49 2HG1 ILE 49 12.698 -1.644 -0.128 361 HG13 ILE 49 3HG1 ILE 49 11.745 -1.471 1.359 362 HG21 ILE 49 1HG2 ILE 49 12.606 -5.220 0.138 363 HG22 ILE 49 2HG2 ILE 49 11.443 -4.000 -0.404 364 HG23 ILE 49 3HG2 ILE 49 13.142 -3.864 -0.866 365 HD11 ILE 49 1HD1 ILE 49 14.765 -1.336 1.107 366 HD12 ILE 49 2HD1 ILE 49 13.656 -0.003 1.500 367 HD13 ILE 49 3HD1 ILE 49 13.899 -1.330 2.656 368 H THR 50 H THR 50 10.812 -1.579 3.272 369 HA THR 50 HA THR 50 12.799 -0.969 5.213 370 HB THR 50 HB THR 50 10.024 0.073 4.608 371 HG1 THR 50 1HG THR 50 11.573 0.860 3.344 372 HG21 THR 50 1HG2 THR 50 10.387 1.873 6.259 373 HG22 THR 50 2HG2 THR 50 10.090 0.305 7.020 374 HG23 THR 50 3HG2 THR 50 11.750 0.957 6.943 375 H ASN 51 H ASN 51 9.589 -2.561 5.407 376 HA ASN 51 HA ASN 51 10.486 -4.296 7.471 377 HB2 ASN 51 2HB ASN 51 8.877 -1.917 8.236 378 HB3 ASN 51 3HB ASN 51 8.065 -3.423 8.630 379 HD21 ASN 51 1HD2 ASN 51 10.002 -1.191 10.040 380 HD22 ASN 51 2HD2 ASN 51 10.870 -2.233 11.146 381 H LYS 52 H LYS 52 9.350 -6.208 7.095 382 HA LYS 52 HA LYS 52 7.411 -6.414 4.981 383 HB2 LYS 52 2HB LYS 52 7.875 -8.248 7.379 384 HB3 LYS 52 3HB LYS 52 6.958 -8.651 5.932 385 HG2 LYS 52 2HG LYS 52 9.934 -7.984 5.839 386 HG3 LYS 52 3HG LYS 52 9.300 -9.600 6.144 387 HD2 LYS 52 2HD LYS 52 7.927 -9.270 3.962 388 HD3 LYS 52 3HD LYS 52 9.073 -7.973 3.606 389 HE2 LYS 52 2HE LYS 52 9.939 -10.805 4.364 390 HE3 LYS 52 3HE LYS 52 9.542 -10.371 2.702 391 HZ1 LYS 52 1HZ LYS 52 11.884 -10.189 3.044 392 HZ2 LYS 52 2HZ LYS 52 11.293 -8.692 2.795 393 HZ3 LYS 52 3HZ LYS 52 11.693 -9.181 4.321 394 H LYS 53 H LYS 53 6.724 -6.823 8.498 395 HA LYS 53 HA LYS 53 4.026 -6.623 8.126 396 HB2 LYS 53 2HB LYS 53 3.784 -6.199 10.512 397 HB3 LYS 53 3HB LYS 53 5.081 -7.348 10.246 398 HG2 LYS 53 2HG LYS 53 6.160 -4.624 10.333 399 HG3 LYS 53 3HG LYS 53 5.107 -4.894 11.705 400 HD2 LYS 53 2HD LYS 53 6.959 -5.712 12.688 401 HD3 LYS 53 3HD LYS 53 6.635 -7.205 11.788 402 HE2 LYS 53 2HE LYS 53 8.067 -6.338 9.918 403 HE3 LYS 53 3HE LYS 53 8.290 -4.839 10.820 404 HZ1 LYS 53 1HZ LYS 53 9.338 -7.483 11.560 405 HZ2 LYS 53 2HZ LYS 53 10.164 -6.123 11.090 406 HZ3 LYS 53 3HZ LYS 53 9.402 -6.150 12.540 407 H CYS 54 H CYS 54 2.413 -5.207 8.194 408 HA CYS 54 HA CYS 54 2.658 -2.860 6.620 409 HB2 CYS 54 2HB CYS 54 0.613 -4.246 7.035 410 HB3 CYS 54 3HB CYS 54 0.589 -3.625 8.682 411 HA PRO 55 HA PRO 55 4.445 -0.220 9.687 412 HB2 PRO 55 2HB PRO 55 4.096 2.278 8.562 413 HB3 PRO 55 3HB PRO 55 5.284 1.070 7.986 414 HG2 PRO 55 2HG PRO 55 2.514 1.621 6.898 415 HG3 PRO 55 3HG PRO 55 4.044 1.430 5.985 416 HD2 PRO 55 2HD PRO 55 2.284 -0.623 6.261 417 HD3 PRO 55 3HD PRO 55 4.050 -0.915 6.314 418 H ILE 56 H ILE 56 1.100 0.406 8.658 419 HA ILE 56 HA ILE 56 0.572 2.053 11.061 420 HB ILE 56 HB ILE 56 -1.195 1.085 8.777 421 HG12 ILE 56 2HG1 ILE 56 -1.030 3.954 9.031 422 HG13 ILE 56 3HG1 ILE 56 0.616 3.338 9.128 423 HG21 ILE 56 1HG2 ILE 56 -2.903 2.675 9.664 424 HG22 ILE 56 2HG2 ILE 56 -2.622 1.305 10.742 425 HG23 ILE 56 3HG2 ILE 56 -1.910 2.885 11.126 426 HD11 ILE 56 1HD1 ILE 56 -1.406 2.749 6.928 427 HD12 ILE 56 2HD1 ILE 56 0.030 3.792 6.809 428 HD13 ILE 56 3HD1 ILE 56 0.222 2.037 7.020 429 H CYS 57 H CYS 57 -0.145 -1.214 9.792 430 HA CYS 57 HA CYS 57 -1.768 -1.943 12.205 431 HB2 CYS 57 2HB CYS 57 -1.037 -3.801 9.965 432 HB3 CYS 57 3HB CYS 57 -2.505 -3.704 10.925 433 H ARG 58 H ARG 58 -0.885 -4.642 12.332 434 HA ARG 58 HA ARG 58 2.056 -4.512 12.468 435 HB2 ARG 58 2HB ARG 58 1.149 -3.934 14.773 436 HB3 ARG 58 3HB ARG 58 0.518 -5.581 14.874 437 HG2 ARG 58 2HG ARG 58 3.335 -5.565 14.026 438 HG3 ARG 58 3HG ARG 58 3.142 -4.639 15.506 439 HD2 ARG 58 2HD ARG 58 2.024 -7.454 15.185 440 HD3 ARG 58 3HD ARG 58 3.668 -7.118 15.753 441 HE ARG 58 HE ARG 58 1.906 -5.571 17.303 442 HH11 ARG 58 1HH1 ARG 58 1.584 -7.909 19.938 443 HH12 ARG 58 2HH1 ARG 58 1.439 -6.249 19.492 444 HH21 ARG 58 1HH2 ARG 58 2.294 -9.506 18.324 445 HH22 ARG 58 2HH2 ARG 58 2.629 -8.966 16.717 446 H VAL 59 H VAL 59 -0.144 -5.833 10.811 447 HA VAL 59 HA VAL 59 0.280 -8.690 11.398 448 HB VAL 59 HB VAL 59 -1.060 -7.537 8.925 449 HG11 VAL 59 1HG1 VAL 59 -1.501 -10.079 10.562 450 HG12 VAL 59 2HG1 VAL 59 -2.330 -9.652 9.051 451 HG13 VAL 59 3HG1 VAL 59 -0.593 -9.980 9.035 452 HG21 VAL 59 1HG2 VAL 59 -3.244 -7.734 10.169 453 HG22 VAL 59 2HG2 VAL 59 -2.320 -7.881 11.680 454 HG23 VAL 59 3HG2 VAL 59 -2.243 -6.390 10.705 455 H ASP 60 H ASP 60 1.720 -9.934 10.232 456 HA ASP 60 HA ASP 60 3.760 -8.491 8.755 457 HB2 ASP 60 2HB ASP 60 4.128 -10.485 10.294 458 HB3 ASP 60 3HB ASP 60 3.508 -11.488 8.970 459 H ILE 61 H ILE 61 4.123 -8.662 6.514 460 HA ILE 61 HA ILE 61 1.804 -9.631 4.945 461 HB ILE 61 HB ILE 61 2.296 -8.071 3.288 462 HG12 ILE 61 2HG1 ILE 61 4.894 -7.564 4.758 463 HG13 ILE 61 3HG1 ILE 61 4.695 -8.213 3.149 464 HG21 ILE 61 1HG2 ILE 61 2.790 -6.532 5.847 465 HG22 ILE 61 2HG2 ILE 61 1.816 -6.053 4.437 466 HG23 ILE 61 3HG2 ILE 61 1.219 -7.331 5.505 467 HD11 ILE 61 1HD1 ILE 61 3.887 -5.407 3.964 468 HD12 ILE 61 2HD1 ILE 61 5.294 -5.866 2.992 469 HD13 ILE 61 3HD1 ILE 61 3.637 -6.155 2.371 470 H GLU 62 H GLU 62 5.124 -10.153 5.636 471 HA GLU 62 HA GLU 62 6.332 -11.080 3.390 472 HB2 GLU 62 2HB GLU 62 7.315 -11.009 5.645 473 HB3 GLU 62 3HB GLU 62 6.325 -12.377 6.154 474 HG2 GLU 62 2HG GLU 62 7.458 -13.834 4.514 475 HG3 GLU 62 3HG GLU 62 8.378 -12.450 3.901 476 H ALA 63 H ALA 63 4.574 -13.300 5.520 477 HA ALA 63 HA ALA 63 3.592 -15.286 5.248 478 HB1 ALA 63 1HB ALA 63 2.066 -15.607 3.373 479 HB2 ALA 63 2HB ALA 63 1.985 -13.925 3.941 480 HB3 ALA 63 3HB ALA 63 2.874 -14.314 2.457 481 H GLN 64 H GLN 64 3.557 -17.367 3.926 482 HA GLN 64 HA GLN 64 4.747 -19.152 3.185 483 HB2 GLN 64 2HB GLN 64 5.428 -17.049 1.132 484 HB3 GLN 64 3HB GLN 64 5.951 -18.731 0.963 485 HG2 GLN 64 2HG GLN 64 3.791 -19.562 0.755 486 HG3 GLN 64 3HG GLN 64 3.050 -18.217 1.621 487 HE21 GLN 64 1HE2 GLN 64 2.579 -16.226 0.511 488 HE22 GLN 64 2HE2 GLN 64 2.614 -16.199 -1.247 489 H LEU 65 H LEU 65 5.988 -19.558 4.912 490 HA LEU 65 HA LEU 65 8.360 -18.823 5.862 491 HB2 LEU 65 2HB LEU 65 6.946 -21.366 5.549 492 HB3 LEU 65 3HB LEU 65 8.685 -21.626 5.547 493 HG LEU 65 HG LEU 65 7.393 -19.890 7.670 494 HD11 LEU 65 1HD1 LEU 65 7.742 -22.921 7.667 495 HD12 LEU 65 2HD1 LEU 65 7.370 -21.941 9.104 496 HD13 LEU 65 3HD1 LEU 65 6.213 -22.020 7.765 497 HD21 LEU 65 1HD2 LEU 65 9.406 -20.536 8.934 498 HD22 LEU 65 2HD2 LEU 65 9.925 -21.607 7.615 499 HD23 LEU 65 3HD2 LEU 65 9.888 -19.848 7.372 500 HA PRO 66 HA PRO 66 11.181 -20.408 2.471 501 HB2 PRO 66 2HB PRO 66 10.332 -21.634 0.205 502 HB3 PRO 66 3HB PRO 66 10.479 -22.518 1.756 503 HG2 PRO 66 2HG PRO 66 7.968 -21.321 0.535 504 HG3 PRO 66 3HG PRO 66 8.196 -22.958 1.222 505 HD2 PRO 66 2HD PRO 66 7.127 -20.860 2.637 506 HD3 PRO 66 3HD PRO 66 8.082 -22.157 3.414 507 H SER 67 H SER 67 11.258 -18.041 2.334 508 HA SER 67 HA SER 67 10.732 -17.265 -0.459 509 HB2 SER 67 2HB SER 67 10.144 -14.929 0.470 510 HB3 SER 67 3HB SER 67 8.890 -16.180 0.486 511 HG SER 67 HG SER 67 9.043 -16.383 2.618 512 H GLU 68 H GLU 68 12.438 -16.080 -1.322 513 HA GLU 68 HA GLU 68 14.832 -15.799 0.389 514 HB2 GLU 68 2HB GLU 68 14.671 -16.816 -2.068 515 HB3 GLU 68 3HB GLU 68 14.722 -15.114 -2.556 516 HG2 GLU 68 2HG GLU 68 16.835 -14.848 -1.225 517 HG3 GLU 68 3HG GLU 68 16.749 -16.557 -0.779 518 H SER 69 H SER 69 15.903 -13.527 0.399 519 HA SER 69 HA SER 69 14.274 -11.303 -0.371 520 HB2 SER 69 2HB SER 69 13.051 -12.189 1.682 521 HB3 SER 69 3HB SER 69 14.549 -11.935 2.602 522 HG SER 69 HG SER 69 14.403 -9.721 1.714 Start of MODEL 26 1 H1 MET 1 H1 MET 1 11.761 37.219 -10.032 2 H2 MET 1 H2 MET 1 13.162 36.410 -10.381 3 H3 MET 1 H3 MET 1 11.701 35.799 -10.859 4 HA MET 1 HA MET 1 12.450 34.577 -8.969 5 HB2 MET 1 2HB MET 1 13.792 36.689 -8.223 6 HB3 MET 1 3HB MET 1 12.314 37.189 -7.412 7 HG2 MET 1 2HG MET 1 12.760 35.823 -5.689 8 HG3 MET 1 3HG MET 1 12.867 34.413 -6.752 9 HE1 MET 1 1HE MET 1 14.603 33.869 -4.460 10 HE2 MET 1 2HE MET 1 16.122 34.773 -4.252 11 HE3 MET 1 3HE MET 1 14.566 35.580 -3.960 12 H LYS 2 H LYS 2 10.473 33.485 -8.456 13 HA LYS 2 HA LYS 2 8.361 34.900 -7.189 14 HB2 LYS 2 2HB LYS 2 6.612 34.614 -8.822 15 HB3 LYS 2 3HB LYS 2 7.865 35.619 -9.524 16 HG2 LYS 2 2HG LYS 2 8.753 33.652 -10.775 17 HG3 LYS 2 3HG LYS 2 7.456 32.641 -10.111 18 HD2 LYS 2 2HD LYS 2 6.973 35.180 -11.717 19 HD3 LYS 2 3HD LYS 2 7.021 33.558 -12.432 20 HE2 LYS 2 2HE LYS 2 5.100 32.821 -11.239 21 HE3 LYS 2 3HE LYS 2 5.159 34.176 -10.112 22 HZ1 LYS 2 1HZ LYS 2 4.530 34.408 -12.980 23 HZ2 LYS 2 2HZ LYS 2 3.448 34.478 -11.743 24 HZ3 LYS 2 3HZ LYS 2 4.584 35.655 -11.903 25 H GLN 3 H GLN 3 6.374 33.228 -7.138 26 HA GLN 3 HA GLN 3 7.207 30.433 -7.309 27 HB2 GLN 3 2HB GLN 3 6.460 29.997 -5.011 28 HB3 GLN 3 3HB GLN 3 7.856 31.067 -5.015 29 HG2 GLN 3 2HG GLN 3 4.976 32.056 -4.726 30 HG3 GLN 3 3HG GLN 3 6.008 31.636 -3.371 31 HE21 GLN 3 1HE2 GLN 3 7.856 32.996 -2.840 32 HE22 GLN 3 2HE2 GLN 3 7.927 34.621 -3.505 33 H ASP 4 H ASP 4 5.229 29.040 -6.949 34 HA ASP 4 HA ASP 4 2.630 30.180 -6.849 35 HB2 ASP 4 2HB ASP 4 1.833 29.389 -9.037 36 HB3 ASP 4 3HB ASP 4 3.043 30.646 -9.236 37 H GLY 5 H GLY 5 1.091 28.029 -7.488 38 HA2 GLY 5 2HA GLY 5 2.196 25.486 -7.109 39 HA3 GLY 5 3HA GLY 5 1.669 26.101 -5.521 40 H GLU 6 H GLU 6 0.430 23.864 -7.024 41 HA GLU 6 HA GLU 6 -2.311 24.799 -6.970 42 HB2 GLU 6 2HB GLU 6 -0.880 24.591 -9.476 43 HB3 GLU 6 3HB GLU 6 -1.978 23.219 -9.395 44 HG2 GLU 6 2HG GLU 6 -2.818 26.113 -8.919 45 HG3 GLU 6 3HG GLU 6 -2.910 25.294 -10.479 46 H GLU 7 H GLU 7 -3.697 22.936 -6.601 47 HA GLU 7 HA GLU 7 -2.625 20.269 -6.636 48 HB2 GLU 7 2HB GLU 7 -1.664 21.148 -4.456 49 HB3 GLU 7 3HB GLU 7 -3.304 21.521 -3.927 50 HG2 GLU 7 2HG GLU 7 -2.747 19.435 -2.933 51 HG3 GLU 7 3HG GLU 7 -3.863 19.045 -4.241 52 H GLY 8 H GLY 8 -4.450 19.192 -7.378 53 HA2 GLY 8 2HA GLY 8 -7.127 20.051 -6.444 54 HA3 GLY 8 3HA GLY 8 -6.756 20.174 -8.177 55 H THR 9 H THR 9 -8.845 18.459 -7.255 56 HA THR 9 HA THR 9 -7.827 15.909 -8.182 57 HB THR 9 HB THR 9 -7.322 15.775 -5.798 58 HG1 THR 9 1HG THR 9 -8.633 13.857 -5.489 59 HG21 THR 9 1HG2 THR 9 -10.312 16.145 -5.405 60 HG22 THR 9 2HG2 THR 9 -9.120 15.773 -4.137 61 HG23 THR 9 3HG2 THR 9 -9.062 17.334 -4.982 62 H GLU 10 H GLU 10 -9.584 14.500 -8.817 63 HA GLU 10 HA GLU 10 -12.322 15.388 -8.604 64 HB2 GLU 10 2HB GLU 10 -10.832 15.348 -11.262 65 HB3 GLU 10 3HB GLU 10 -12.542 14.900 -11.172 66 HG2 GLU 10 2HG GLU 10 -13.045 17.084 -10.070 67 HG3 GLU 10 3HG GLU 10 -11.359 17.570 -10.318 68 H GLU 11 H GLU 11 -13.470 13.520 -8.335 69 HA GLU 11 HA GLU 11 -13.925 11.342 -7.976 70 HB2 GLU 11 2HB GLU 11 -12.311 10.946 -10.505 71 HB3 GLU 11 3HB GLU 11 -13.229 9.673 -9.682 72 HG2 GLU 11 2HG GLU 11 -15.301 10.939 -9.879 73 HG3 GLU 11 3HG GLU 11 -14.455 12.324 -10.570 74 H ASP 12 H ASP 12 -13.030 9.154 -7.628 75 HA ASP 12 HA ASP 12 -12.421 8.063 -5.796 76 HB2 ASP 12 2HB ASP 12 -10.917 7.449 -7.590 77 HB3 ASP 12 3HB ASP 12 -9.712 8.586 -6.978 78 H THR 13 H THR 13 -12.451 8.389 -3.706 79 HA THR 13 HA THR 13 -10.398 10.144 -2.505 80 HB THR 13 HB THR 13 -13.340 10.499 -1.861 81 HG1 THR 13 1HG THR 13 -11.710 11.586 -3.825 82 HG21 THR 13 1HG2 THR 13 -12.501 12.693 -0.933 83 HG22 THR 13 2HG2 THR 13 -11.945 11.290 -0.019 84 HG23 THR 13 3HG2 THR 13 -10.840 12.106 -1.154 85 H GLU 14 H GLU 14 -11.064 7.176 -2.750 86 HA GLU 14 HA GLU 14 -11.118 6.573 0.163 87 HB2 GLU 14 2HB GLU 14 -12.708 5.378 -2.114 88 HB3 GLU 14 3HB GLU 14 -12.220 4.378 -0.742 89 HG2 GLU 14 2HG GLU 14 -13.218 6.058 0.826 90 HG3 GLU 14 3HG GLU 14 -13.809 6.974 -0.565 91 H GLU 15 H GLU 15 -10.046 5.361 -3.157 92 HA GLU 15 HA GLU 15 -8.364 3.450 -1.682 93 HB2 GLU 15 2HB GLU 15 -8.636 3.923 -4.673 94 HB3 GLU 15 3HB GLU 15 -7.683 2.661 -3.875 95 HG2 GLU 15 2HG GLU 15 -9.981 2.152 -2.631 96 HG3 GLU 15 3HG GLU 15 -10.681 2.941 -4.044 97 H LYS 16 H LYS 16 -6.981 4.776 -0.499 98 HA LYS 16 HA LYS 16 -4.920 6.169 -2.153 99 HB2 LYS 16 2HB LYS 16 -4.579 7.605 -0.012 100 HB3 LYS 16 3HB LYS 16 -5.899 8.002 -1.104 101 HG2 LYS 16 2HG LYS 16 -7.525 6.902 0.289 102 HG3 LYS 16 3HG LYS 16 -6.240 6.241 1.309 103 HD2 LYS 16 2HD LYS 16 -7.337 8.093 2.428 104 HD3 LYS 16 3HD LYS 16 -5.673 8.579 2.028 105 HE2 LYS 16 2HE LYS 16 -6.401 9.903 0.173 106 HE3 LYS 16 3HE LYS 16 -8.002 9.138 0.158 107 HZ1 LYS 16 1HZ LYS 16 -8.064 11.346 1.098 108 HZ2 LYS 16 2HZ LYS 16 -8.528 10.220 2.195 109 HZ3 LYS 16 3HZ LYS 16 -7.029 10.907 2.303 110 H CYS 17 H CYS 17 -2.939 5.807 -1.848 111 HA CYS 17 HA CYS 17 -1.800 3.467 -0.523 112 HB2 CYS 17 2HB CYS 17 -1.111 4.666 -2.657 113 HB3 CYS 17 3HB CYS 17 -0.603 6.018 -1.667 114 H THR 18 H THR 18 -1.704 3.436 1.729 115 HA THR 18 HA THR 18 -1.688 5.793 3.294 116 HB THR 18 HB THR 18 -2.281 3.333 3.889 117 HG1 THR 18 1HG THR 18 -2.394 5.210 5.282 118 HG21 THR 18 1HG2 THR 18 -0.636 2.104 5.110 119 HG22 THR 18 2HG2 THR 18 0.122 2.536 3.556 120 HG23 THR 18 3HG2 THR 18 0.528 3.439 5.032 121 H ILE 19 H ILE 19 0.974 4.246 1.600 122 HA ILE 19 HA ILE 19 3.029 5.324 3.311 123 HB ILE 19 HB ILE 19 2.900 3.885 0.660 124 HG12 ILE 19 2HG1 ILE 19 4.302 2.838 3.109 125 HG13 ILE 19 3HG1 ILE 19 2.539 2.881 3.158 126 HG21 ILE 19 1HG2 ILE 19 4.866 5.244 0.482 127 HG22 ILE 19 2HG2 ILE 19 5.343 4.879 2.159 128 HG23 ILE 19 3HG2 ILE 19 5.399 3.608 0.914 129 HD11 ILE 19 1HD1 ILE 19 4.138 1.583 0.925 130 HD12 ILE 19 2HD1 ILE 19 3.352 0.727 2.277 131 HD13 ILE 19 3HD1 ILE 19 2.375 1.625 1.093 132 H CYS 20 H CYS 20 1.840 6.076 -0.041 133 HA CYS 20 HA CYS 20 3.531 8.532 -0.232 134 HB2 CYS 20 2HB CYS 20 1.150 7.737 -1.931 135 HB3 CYS 20 3HB CYS 20 2.388 8.949 -2.262 136 H LEU 21 H LEU 21 0.552 7.666 1.297 137 HA LEU 21 HA LEU 21 -1.333 8.678 1.850 138 HB2 LEU 21 2HB LEU 21 0.593 10.959 2.372 139 HB3 LEU 21 3HB LEU 21 -1.064 10.901 2.984 140 HG LEU 21 HG LEU 21 0.974 8.704 3.550 141 HD11 LEU 21 1HD1 LEU 21 0.265 11.111 5.247 142 HD12 LEU 21 2HD1 LEU 21 1.289 9.732 5.735 143 HD13 LEU 21 3HD1 LEU 21 1.815 10.799 4.422 144 HD21 LEU 21 1HD2 LEU 21 -1.667 9.480 4.890 145 HD22 LEU 21 2HD2 LEU 21 -1.405 8.049 3.867 146 HD23 LEU 21 3HD2 LEU 21 -0.573 8.177 5.414 147 H SER 22 H SER 22 -1.205 8.467 -0.780 148 HA SER 22 HA SER 22 -2.646 10.882 -1.724 149 HB2 SER 22 2HB SER 22 -0.395 9.436 -3.179 150 HB3 SER 22 3HB SER 22 -1.541 10.538 -3.971 151 HG SER 22 HG SER 22 0.371 11.618 -3.279 152 H ILE 23 H ILE 23 -4.247 10.397 -3.304 153 HA ILE 23 HA ILE 23 -5.492 7.828 -3.196 154 HB ILE 23 HB ILE 23 -5.781 10.433 -4.700 155 HG12 ILE 23 2HG1 ILE 23 -6.564 10.146 -2.320 156 HG13 ILE 23 3HG1 ILE 23 -7.781 10.705 -3.462 157 HG21 ILE 23 1HG2 ILE 23 -7.919 9.599 -5.702 158 HG22 ILE 23 2HG2 ILE 23 -6.424 9.034 -6.437 159 HG23 ILE 23 3HG2 ILE 23 -7.346 7.940 -5.393 160 HD11 ILE 23 1HD1 ILE 23 -8.599 8.956 -1.851 161 HD12 ILE 23 2HD1 ILE 23 -8.825 8.516 -3.554 162 HD13 ILE 23 3HD1 ILE 23 -7.526 7.784 -2.616 163 H LEU 24 H LEU 24 -5.852 6.486 -5.042 164 HA LEU 24 HA LEU 24 -3.548 6.071 -6.828 165 HB2 LEU 24 2HB LEU 24 -5.891 4.341 -5.865 166 HB3 LEU 24 3HB LEU 24 -4.546 3.754 -6.842 167 HG LEU 24 HG LEU 24 -4.257 4.893 -4.013 168 HD11 LEU 24 1HD1 LEU 24 -3.770 2.590 -3.374 169 HD12 LEU 24 2HD1 LEU 24 -5.414 2.784 -4.013 170 HD13 LEU 24 3HD1 LEU 24 -4.157 2.051 -5.036 171 HD21 LEU 24 1HD2 LEU 24 -2.326 3.888 -6.089 172 HD22 LEU 24 2HD2 LEU 24 -2.280 5.358 -5.087 173 HD23 LEU 24 3HD2 LEU 24 -1.958 3.747 -4.369 174 H GLU 25 H GLU 25 -4.975 4.469 -8.668 175 HA GLU 25 HA GLU 25 -7.458 5.824 -9.365 176 HB2 GLU 25 2HB GLU 25 -6.949 6.229 -11.697 177 HB3 GLU 25 3HB GLU 25 -5.801 7.103 -10.676 178 HG2 GLU 25 2HG GLU 25 -4.096 5.370 -11.077 179 HG3 GLU 25 3HG GLU 25 -5.259 4.429 -12.037 180 H GLU 26 H GLU 26 -8.518 4.573 -11.340 181 HA GLU 26 HA GLU 26 -8.714 1.874 -10.425 182 HB2 GLU 26 2HB GLU 26 -10.645 3.077 -11.320 183 HB3 GLU 26 3HB GLU 26 -9.860 3.242 -12.901 184 HG2 GLU 26 2HG GLU 26 -9.903 0.809 -13.227 185 HG3 GLU 26 3HG GLU 26 -10.478 0.565 -11.575 186 H GLY 27 H GLY 27 -7.365 0.243 -10.881 187 HA2 GLY 27 2HA GLY 27 -6.332 -1.316 -12.276 188 HA3 GLY 27 3HA GLY 27 -6.579 -0.239 -13.657 189 H GLU 28 H GLU 28 -5.070 1.267 -10.876 190 HA GLU 28 HA GLU 28 -2.719 1.809 -12.376 191 HB2 GLU 28 2HB GLU 28 -3.900 3.197 -10.616 192 HB3 GLU 28 3HB GLU 28 -3.234 2.123 -9.400 193 HG2 GLU 28 2HG GLU 28 -0.928 2.785 -10.111 194 HG3 GLU 28 3HG GLU 28 -1.629 3.827 -11.360 195 H ASP 29 H ASP 29 -0.543 1.382 -11.661 196 HA ASP 29 HA ASP 29 0.089 -1.353 -11.080 197 HB2 ASP 29 2HB ASP 29 1.813 1.130 -10.999 198 HB3 ASP 29 3HB ASP 29 2.412 -0.532 -10.999 199 H VAL 30 H VAL 30 -0.957 -1.785 -9.116 200 HA VAL 30 HA VAL 30 0.450 -0.793 -6.702 201 HB VAL 30 HB VAL 30 -1.599 -0.525 -5.501 202 HG11 VAL 30 1HG1 VAL 30 -0.874 1.372 -7.032 203 HG12 VAL 30 2HG1 VAL 30 -2.041 0.769 -8.204 204 HG13 VAL 30 3HG1 VAL 30 -2.595 1.358 -6.635 205 HG21 VAL 30 1HG2 VAL 30 -3.824 -0.764 -6.633 206 HG22 VAL 30 2HG2 VAL 30 -3.016 -1.557 -7.991 207 HG23 VAL 30 3HG2 VAL 30 -2.995 -2.306 -6.376 208 H ARG 31 H ARG 31 -0.496 -2.325 -4.767 209 HA ARG 31 HA ARG 31 -0.773 -5.054 -5.734 210 HB2 ARG 31 2HB ARG 31 1.312 -4.226 -3.647 211 HB3 ARG 31 3HB ARG 31 0.842 -5.872 -4.009 212 HG2 ARG 31 2HG ARG 31 1.605 -5.139 -6.504 213 HG3 ARG 31 3HG ARG 31 2.636 -4.064 -5.529 214 HD2 ARG 31 2HD ARG 31 3.240 -6.146 -4.150 215 HD3 ARG 31 3HD ARG 31 2.370 -7.087 -5.382 216 HE ARG 31 HE ARG 31 4.499 -5.325 -6.358 217 HH11 ARG 31 1HH1 ARG 31 6.617 -8.012 -7.167 218 HH12 ARG 31 2HH1 ARG 31 6.333 -6.325 -7.367 219 HH21 ARG 31 1HH2 ARG 31 5.089 -9.331 -5.922 220 HH22 ARG 31 2HH2 ARG 31 3.725 -8.566 -5.194 221 H ARG 32 H ARG 32 -1.625 -6.416 -3.938 222 HA ARG 32 HA ARG 32 -3.096 -4.799 -1.893 223 HB2 ARG 32 2HB ARG 32 -4.370 -5.806 -3.922 224 HB3 ARG 32 3HB ARG 32 -4.028 -7.386 -3.216 225 HG2 ARG 32 2HG ARG 32 -5.577 -5.089 -1.929 226 HG3 ARG 32 3HG ARG 32 -6.245 -6.563 -2.630 227 HD2 ARG 32 2HD ARG 32 -4.592 -7.701 -0.788 228 HD3 ARG 32 3HD ARG 32 -4.821 -6.152 -0.019 229 HE ARG 32 HE ARG 32 -7.081 -6.535 0.247 230 HH11 ARG 32 1HH1 ARG 32 -8.913 -9.515 -0.366 231 HH12 ARG 32 2HH1 ARG 32 -8.903 -8.007 0.473 232 HH21 ARG 32 1HH2 ARG 32 -7.009 -10.174 -1.630 233 HH22 ARG 32 2HH2 ARG 32 -5.650 -9.108 -1.693 234 H LEU 33 H LEU 33 -2.076 -5.123 -0.080 235 HA LEU 33 HA LEU 33 -0.311 -7.376 0.362 236 HB2 LEU 33 2HB LEU 33 0.084 -6.104 2.511 237 HB3 LEU 33 3HB LEU 33 0.387 -5.185 1.064 238 HG LEU 33 HG LEU 33 -2.421 -4.925 1.918 239 HD11 LEU 33 1HD1 LEU 33 -0.197 -3.994 3.816 240 HD12 LEU 33 2HD1 LEU 33 -1.912 -3.658 3.991 241 HD13 LEU 33 3HD1 LEU 33 -1.327 -5.322 4.152 242 HD21 LEU 33 1HD2 LEU 33 -0.110 -3.055 1.446 243 HD22 LEU 33 2HD2 LEU 33 -1.423 -3.375 0.331 244 HD23 LEU 33 3HD2 LEU 33 -1.752 -2.484 1.824 245 HA PRO 34 HA PRO 34 -2.945 -10.098 1.901 246 HB2 PRO 34 2HB PRO 34 -1.858 -11.326 4.127 247 HB3 PRO 34 3HB PRO 34 -1.219 -11.466 2.460 248 HG2 PRO 34 2HG PRO 34 -0.261 -9.663 4.682 249 HG3 PRO 34 3HG PRO 34 0.713 -10.628 3.527 250 HD2 PRO 34 2HD PRO 34 0.214 -7.967 3.255 251 HD3 PRO 34 3HD PRO 34 0.458 -9.007 1.843 252 H CYS 35 H CYS 35 -2.443 -7.582 4.329 253 HA CYS 35 HA CYS 35 -4.407 -8.583 6.226 254 HB2 CYS 35 2HB CYS 35 -4.157 -6.598 7.346 255 HB3 CYS 35 3HB CYS 35 -2.545 -6.920 6.664 256 H MET 36 H MET 36 -4.686 -6.762 3.262 257 HA MET 36 HA MET 36 -6.962 -6.900 2.267 258 HB2 MET 36 2HB MET 36 -7.647 -5.498 4.843 259 HB3 MET 36 3HB MET 36 -8.533 -5.118 3.380 260 HG2 MET 36 2HG MET 36 -8.103 -8.034 3.938 261 HG3 MET 36 3HG MET 36 -9.242 -7.147 4.929 262 HE1 MET 36 1HE MET 36 -10.359 -9.604 3.288 263 HE2 MET 36 2HE MET 36 -11.259 -8.470 4.323 264 HE3 MET 36 3HE MET 36 -11.848 -8.834 2.687 265 H HIS 37 H HIS 37 -5.110 -4.259 3.764 266 HA HIS 37 HA HIS 37 -6.150 -2.195 2.117 267 HB2 HIS 37 1HB HIS 37 -3.443 -2.324 3.532 268 HB3 HIS 37 2HB HIS 37 -4.163 -0.883 2.870 269 HD2 HIS 37 2HD HIS 37 -6.784 -0.387 3.862 270 HE1 HIS 37 1HE HIS 37 -5.707 -1.480 7.824 271 HE2 HIS 37 2HE HIS 37 -7.409 -0.236 6.393 272 H LEU 38 H LEU 38 -4.645 -0.807 0.485 273 HA LEU 38 HA LEU 38 -2.959 -2.619 -1.099 274 HB2 LEU 38 2HB LEU 38 -3.822 -1.854 -3.182 275 HB3 LEU 38 3HB LEU 38 -5.051 -2.738 -2.302 276 HG LEU 38 HG LEU 38 -5.043 0.297 -2.166 277 HD11 LEU 38 1HD1 LEU 38 -4.765 -0.192 -4.539 278 HD12 LEU 38 2HD1 LEU 38 -6.083 -1.387 -4.479 279 HD13 LEU 38 3HD1 LEU 38 -6.427 0.331 -4.222 280 HD21 LEU 38 1HD2 LEU 38 -7.476 -0.050 -2.052 281 HD22 LEU 38 2HD2 LEU 38 -7.268 -1.788 -2.279 282 HD23 LEU 38 3HD2 LEU 38 -6.680 -1.008 -0.792 283 H PHE 39 H PHE 39 -1.233 -1.672 -1.981 284 HA PHE 39 HA PHE 39 -0.727 1.237 -1.496 285 HB2 PHE 39 2HB PHE 39 0.963 -1.197 -0.822 286 HB3 PHE 39 3HB PHE 39 1.611 0.420 -0.786 287 HD1 PHE 39 1HD PHE 39 1.786 -1.483 1.486 288 HD2 PHE 39 2HD PHE 39 -1.308 1.368 0.593 289 HE1 PHE 39 1HE PHE 39 0.943 -1.683 3.783 290 HE2 PHE 39 2HE PHE 39 -2.178 1.136 2.886 291 HZ PHE 39 HZ PHE 39 -1.053 -0.384 4.505 292 H HIS 40 H HIS 40 0.870 2.123 -3.040 293 HA HIS 40 HA HIS 40 0.684 1.057 -5.672 294 HB2 HIS 40 1HB HIS 40 2.824 2.825 -4.476 295 HB3 HIS 40 2HB HIS 40 2.802 2.391 -6.166 296 HD2 HIS 40 2HD HIS 40 0.624 3.242 -7.671 297 HE1 HIS 40 1HE HIS 40 0.112 6.706 -5.249 298 HE2 HIS 40 2HE HIS 40 -0.464 5.584 -7.501 299 H GLN 41 H GLN 41 2.338 0.072 -7.046 300 HA GLN 41 HA GLN 41 3.650 -2.122 -5.832 301 HB2 GLN 41 2HB GLN 41 2.880 -1.767 -8.258 302 HB3 GLN 41 3HB GLN 41 4.380 -0.860 -8.515 303 HG2 GLN 41 2HG GLN 41 5.689 -2.849 -7.804 304 HG3 GLN 41 3HG GLN 41 4.182 -3.721 -7.481 305 HE21 GLN 41 1HE2 GLN 41 2.556 -3.388 -9.659 306 HE22 GLN 41 2HE2 GLN 41 3.416 -3.906 -11.093 307 H VAL 42 H VAL 42 4.863 1.116 -6.850 308 HA VAL 42 HA VAL 42 7.584 0.554 -6.077 309 HB VAL 42 HB VAL 42 6.173 3.213 -6.568 310 HG11 VAL 42 1HG1 VAL 42 9.141 2.495 -6.440 311 HG12 VAL 42 2HG1 VAL 42 8.492 4.050 -7.007 312 HG13 VAL 42 3HG1 VAL 42 8.270 3.566 -5.323 313 HG21 VAL 42 1HG2 VAL 42 7.831 1.400 -8.382 314 HG22 VAL 42 2HG2 VAL 42 6.096 1.746 -8.551 315 HG23 VAL 42 3HG2 VAL 42 7.278 3.033 -8.806 316 H CYS 43 H CYS 43 5.010 2.575 -4.475 317 HA CYS 43 HA CYS 43 6.450 3.291 -2.147 318 HB2 CYS 43 2HB CYS 43 3.526 2.495 -2.302 319 HB3 CYS 43 3HB CYS 43 4.307 3.461 -1.071 320 H VAL 44 H VAL 44 4.547 0.274 -2.759 321 HA VAL 44 HA VAL 44 5.120 -0.667 -0.142 322 HB VAL 44 HB VAL 44 3.071 -1.140 -1.581 323 HG11 VAL 44 1HG1 VAL 44 4.749 -3.503 -2.457 324 HG12 VAL 44 2HG1 VAL 44 3.083 -3.049 -2.950 325 HG13 VAL 44 3HG1 VAL 44 4.474 -2.087 -3.483 326 HG21 VAL 44 1HG2 VAL 44 2.683 -3.209 -0.385 327 HG22 VAL 44 2HG2 VAL 44 4.434 -3.467 -0.189 328 HG23 VAL 44 3HG2 VAL 44 3.655 -2.127 0.652 329 H ASP 45 H ASP 45 6.806 -0.919 -3.214 330 HA ASP 45 HA ASP 45 8.400 -3.215 -2.593 331 HB2 ASP 45 2HB ASP 45 8.423 -2.172 -4.827 332 HB3 ASP 45 3HB ASP 45 9.173 -0.715 -4.159 333 H GLN 46 H GLN 46 9.133 0.305 -2.125 334 HA GLN 46 HA GLN 46 11.279 -0.346 -0.318 335 HB2 GLN 46 2HB GLN 46 9.769 2.280 -0.674 336 HB3 GLN 46 3HB GLN 46 11.155 2.048 0.407 337 HG2 GLN 46 2HG GLN 46 12.320 1.055 -1.761 338 HG3 GLN 46 3HG GLN 46 11.109 2.023 -2.609 339 HE21 GLN 46 1HE2 GLN 46 10.936 4.430 -1.435 340 HE22 GLN 46 2HE2 GLN 46 12.533 5.128 -1.177 341 H ALA 47 H ALA 47 7.817 0.024 0.283 342 HA ALA 47 HA ALA 47 8.038 0.223 3.114 343 HB1 ALA 47 1HB ALA 47 5.937 0.404 1.748 344 HB2 ALA 47 2HB ALA 47 5.963 -1.380 1.596 345 HB3 ALA 47 3HB ALA 47 5.791 -0.628 3.193 346 H LEU 48 H LEU 48 7.904 -2.669 0.984 347 HA LEU 48 HA LEU 48 7.960 -4.613 3.028 348 HB2 LEU 48 2HB LEU 48 7.285 -4.930 0.644 349 HB3 LEU 48 3HB LEU 48 8.953 -4.752 0.140 350 HG LEU 48 HG LEU 48 8.204 -7.056 0.113 351 HD11 LEU 48 1HD1 LEU 48 10.618 -6.535 0.676 352 HD12 LEU 48 2HD1 LEU 48 10.213 -6.910 2.374 353 HD13 LEU 48 3HD1 LEU 48 10.026 -8.142 1.127 354 HD21 LEU 48 1HD2 LEU 48 7.818 -6.827 3.117 355 HD22 LEU 48 2HD2 LEU 48 6.542 -7.001 1.884 356 HD23 LEU 48 3HD2 LEU 48 7.697 -8.313 2.157 357 H ILE 49 H ILE 49 10.642 -3.321 0.974 358 HA ILE 49 HA ILE 49 12.626 -4.863 2.297 359 HB ILE 49 HB ILE 49 14.258 -3.618 1.146 360 HG12 ILE 49 2HG1 ILE 49 13.204 -1.575 -0.315 361 HG13 ILE 49 3HG1 ILE 49 12.342 -1.397 1.222 362 HG21 ILE 49 1HG2 ILE 49 12.788 -5.130 -0.183 363 HG22 ILE 49 2HG2 ILE 49 11.858 -3.713 -0.706 364 HG23 ILE 49 3HG2 ILE 49 13.563 -3.848 -1.130 365 HD11 ILE 49 1HD1 ILE 49 14.511 -1.371 2.430 366 HD12 ILE 49 2HD1 ILE 49 15.355 -1.509 0.872 367 HD13 ILE 49 3HD1 ILE 49 14.383 -0.067 1.232 368 H THR 50 H THR 50 11.271 -1.665 3.125 369 HA THR 50 HA THR 50 13.241 -1.058 5.094 370 HB THR 50 HB THR 50 10.412 -0.130 4.508 371 HG1 THR 50 1HG THR 50 12.963 1.121 4.505 372 HG21 THR 50 1HG2 THR 50 10.481 0.132 6.897 373 HG22 THR 50 2HG2 THR 50 12.135 0.788 6.841 374 HG23 THR 50 3HG2 THR 50 10.768 1.708 6.164 375 H ASN 51 H ASN 51 9.862 -2.322 5.447 376 HA ASN 51 HA ASN 51 10.715 -4.171 7.485 377 HB2 ASN 51 2HB ASN 51 9.708 -1.557 8.302 378 HB3 ASN 51 3HB ASN 51 8.507 -2.767 8.711 379 HD21 ASN 51 1HD2 ASN 51 9.612 -4.921 9.714 380 HD22 ASN 51 2HD2 ASN 51 10.812 -4.501 10.943 381 H LYS 52 H LYS 52 9.597 -5.917 6.813 382 HA LYS 52 HA LYS 52 7.143 -5.923 5.354 383 HB2 LYS 52 2HB LYS 52 7.199 -8.342 5.832 384 HB3 LYS 52 3HB LYS 52 8.703 -7.695 5.194 385 HG2 LYS 52 2HG LYS 52 9.235 -7.561 7.919 386 HG3 LYS 52 3HG LYS 52 8.160 -8.959 7.832 387 HD2 LYS 52 2HD LYS 52 9.555 -9.782 5.902 388 HD3 LYS 52 3HD LYS 52 10.715 -8.512 6.229 389 HE2 LYS 52 2HE LYS 52 9.844 -10.429 8.425 390 HE3 LYS 52 3HE LYS 52 11.018 -10.953 7.221 391 HZ1 LYS 52 1HZ LYS 52 12.107 -10.060 9.137 392 HZ2 LYS 52 2HZ LYS 52 12.444 -9.173 7.801 393 HZ3 LYS 52 3HZ LYS 52 11.390 -8.586 8.923 394 H LYS 53 H LYS 53 6.092 -4.227 6.956 395 HA LYS 53 HA LYS 53 4.109 -5.726 8.474 396 HB2 LYS 53 2HB LYS 53 6.088 -3.780 9.755 397 HB3 LYS 53 3HB LYS 53 4.399 -3.790 10.262 398 HG2 LYS 53 2HG LYS 53 5.120 -5.304 11.757 399 HG3 LYS 53 3HG LYS 53 4.755 -6.399 10.425 400 HD2 LYS 53 2HD LYS 53 7.279 -6.267 9.869 401 HD3 LYS 53 3HD LYS 53 7.458 -5.518 11.466 402 HE2 LYS 53 2HE LYS 53 6.502 -7.416 12.583 403 HE3 LYS 53 3HE LYS 53 5.776 -8.019 11.085 404 HZ1 LYS 53 1HZ LYS 53 7.811 -8.647 10.258 405 HZ2 LYS 53 2HZ LYS 53 8.667 -8.090 11.602 406 HZ3 LYS 53 3HZ LYS 53 7.577 -9.358 11.646 407 H CYS 54 H CYS 54 2.170 -4.744 8.106 408 HA CYS 54 HA CYS 54 1.786 -2.736 6.048 409 HB2 CYS 54 2HB CYS 54 0.174 -4.448 6.657 410 HB3 CYS 54 3HB CYS 54 0.084 -3.808 8.299 411 HA PRO 55 HA PRO 55 3.373 0.312 8.946 412 HB2 PRO 55 2HB PRO 55 4.033 2.318 7.243 413 HB3 PRO 55 3HB PRO 55 4.844 0.726 7.168 414 HG2 PRO 55 2HG PRO 55 2.495 1.671 5.483 415 HG3 PRO 55 3HG PRO 55 4.047 0.964 4.919 416 HD2 PRO 55 2HD PRO 55 1.795 -0.528 5.302 417 HD3 PRO 55 3HD PRO 55 3.430 -1.189 5.623 418 H ILE 56 H ILE 56 1.070 0.225 9.688 419 HA ILE 56 HA ILE 56 0.024 2.692 10.365 420 HB ILE 56 HB ILE 56 -0.740 2.837 7.991 421 HG12 ILE 56 2HG1 ILE 56 -1.951 4.155 9.479 422 HG13 ILE 56 3HG1 ILE 56 -3.069 3.412 8.348 423 HG21 ILE 56 1HG2 ILE 56 -1.123 0.437 7.546 424 HG22 ILE 56 2HG2 ILE 56 -2.620 0.528 8.515 425 HG23 ILE 56 3HG2 ILE 56 -2.446 1.492 7.047 426 HD11 ILE 56 1HD1 ILE 56 -4.184 3.344 10.410 427 HD12 ILE 56 2HD1 ILE 56 -3.567 1.691 10.243 428 HD13 ILE 56 3HD1 ILE 56 -2.745 2.873 11.302 429 H CYS 57 H CYS 57 -0.789 -0.631 9.434 430 HA CYS 57 HA CYS 57 -2.121 -1.306 12.030 431 HB2 CYS 57 2HB CYS 57 -2.297 -3.540 10.592 432 HB3 CYS 57 3HB CYS 57 -3.419 -2.218 10.464 433 H ARG 58 H ARG 58 -0.383 -3.875 10.883 434 HA ARG 58 HA ARG 58 2.174 -3.410 11.845 435 HB2 ARG 58 2HB ARG 58 0.836 -3.315 14.165 436 HB3 ARG 58 3HB ARG 58 0.850 -5.072 14.003 437 HG2 ARG 58 2HG ARG 58 3.495 -4.497 13.448 438 HG3 ARG 58 3HG ARG 58 3.083 -3.147 14.500 439 HD2 ARG 58 2HD ARG 58 2.158 -4.971 16.121 440 HD3 ARG 58 3HD ARG 58 3.027 -6.123 15.083 441 HE ARG 58 HE ARG 58 4.568 -3.824 16.050 442 HH11 ARG 58 1HH1 ARG 58 6.468 -5.690 18.343 443 HH12 ARG 58 2HH1 ARG 58 6.251 -4.151 17.602 444 HH21 ARG 58 1HH2 ARG 58 5.012 -7.476 17.806 445 HH22 ARG 58 2HH2 ARG 58 3.739 -7.209 16.669 446 H VAL 59 H VAL 59 -0.479 -5.724 11.519 447 HA VAL 59 HA VAL 59 0.488 -8.169 11.350 448 HB VAL 59 HB VAL 59 -1.108 -8.431 9.439 449 HG11 VAL 59 1HG1 VAL 59 -1.837 -8.427 11.826 450 HG12 VAL 59 2HG1 VAL 59 -2.186 -6.689 11.702 451 HG13 VAL 59 3HG1 VAL 59 -3.083 -7.847 10.713 452 HG21 VAL 59 1HG2 VAL 59 -2.505 -6.400 8.880 453 HG22 VAL 59 2HG2 VAL 59 -1.278 -5.382 9.608 454 HG23 VAL 59 3HG2 VAL 59 -0.860 -6.369 8.202 455 H ASP 60 H ASP 60 1.981 -9.330 10.300 456 HA ASP 60 HA ASP 60 3.956 -7.964 8.723 457 HB2 ASP 60 2HB ASP 60 4.209 -9.934 10.393 458 HB3 ASP 60 3HB ASP 60 3.688 -10.969 9.058 459 H ILE 61 H ILE 61 4.491 -8.470 6.529 460 HA ILE 61 HA ILE 61 2.162 -9.402 4.896 461 HB ILE 61 HB ILE 61 2.847 -7.790 3.213 462 HG12 ILE 61 2HG1 ILE 61 4.727 -6.618 5.312 463 HG13 ILE 61 3HG1 ILE 61 5.279 -7.637 3.971 464 HG21 ILE 61 1HG2 ILE 61 1.169 -7.323 5.088 465 HG22 ILE 61 2HG2 ILE 61 2.459 -6.376 5.860 466 HG23 ILE 61 3HG2 ILE 61 1.820 -5.904 4.252 467 HD11 ILE 61 1HD1 ILE 61 3.836 -4.988 3.735 468 HD12 ILE 61 2HD1 ILE 61 5.528 -5.351 3.327 469 HD13 ILE 61 3HD1 ILE 61 4.202 -6.084 2.377 470 H GLU 62 H GLU 62 5.467 -9.886 5.600 471 HA GLU 62 HA GLU 62 6.385 -10.930 3.116 472 HB2 GLU 62 2HB GLU 62 7.565 -10.607 5.549 473 HB3 GLU 62 3HB GLU 62 7.208 -12.330 5.639 474 HG2 GLU 62 2HG GLU 62 8.221 -12.337 3.167 475 HG3 GLU 62 3HG GLU 62 8.972 -10.829 3.691 476 H ALA 63 H ALA 63 5.996 -12.894 2.093 477 HA ALA 63 HA ALA 63 4.694 -15.070 3.578 478 HB1 ALA 63 1HB ALA 63 3.401 -13.743 1.160 479 HB2 ALA 63 2HB ALA 63 2.875 -15.261 1.928 480 HB3 ALA 63 3HB ALA 63 2.777 -13.730 2.829 481 H GLN 64 H GLN 64 6.972 -15.677 3.122 482 HA GLN 64 HA GLN 64 6.992 -17.314 0.732 483 HB2 GLN 64 2HB GLN 64 8.146 -14.861 0.393 484 HB3 GLN 64 3HB GLN 64 9.538 -15.749 1.030 485 HG2 GLN 64 2HG GLN 64 9.253 -17.451 -0.758 486 HG3 GLN 64 3HG GLN 64 7.774 -16.644 -1.306 487 HE21 GLN 64 1HE2 GLN 64 9.732 -17.109 -3.190 488 HE22 GLN 64 2HE2 GLN 64 10.501 -15.574 -3.572 489 H LEU 65 H LEU 65 9.332 -18.576 0.860 490 HA LEU 65 HA LEU 65 9.241 -19.720 3.568 491 HB2 LEU 65 2HB LEU 65 8.981 -20.956 1.302 492 HB3 LEU 65 3HB LEU 65 10.728 -20.815 1.146 493 HG LEU 65 HG LEU 65 9.505 -21.942 3.689 494 HD11 LEU 65 1HD1 LEU 65 9.519 -24.191 2.656 495 HD12 LEU 65 2HD1 LEU 65 8.363 -23.111 1.865 496 HD13 LEU 65 3HD1 LEU 65 9.921 -23.463 1.082 497 HD21 LEU 65 1HD2 LEU 65 11.971 -21.588 3.612 498 HD22 LEU 65 2HD2 LEU 65 11.562 -23.306 3.707 499 HD23 LEU 65 3HD2 LEU 65 12.065 -22.601 2.157 500 HA PRO 66 HA PRO 66 12.842 -17.094 4.015 501 HB2 PRO 66 2HB PRO 66 13.377 -17.434 6.678 502 HB3 PRO 66 3HB PRO 66 11.954 -16.520 6.085 503 HG2 PRO 66 2HG PRO 66 12.058 -19.420 6.974 504 HG3 PRO 66 3HG PRO 66 10.895 -18.151 7.478 505 HD2 PRO 66 2HD PRO 66 10.318 -19.937 5.500 506 HD3 PRO 66 3HD PRO 66 9.769 -18.232 5.403 507 H SER 67 H SER 67 15.073 -17.379 3.896 508 HA SER 67 HA SER 67 16.106 -20.148 3.976 509 HB2 SER 67 2HB SER 67 17.292 -17.482 3.076 510 HB3 SER 67 3HB SER 67 18.154 -19.030 3.015 511 HG SER 67 HG SER 67 16.455 -19.799 1.654 512 H GLU 68 H GLU 68 18.269 -20.443 5.006 513 HA GLU 68 HA GLU 68 18.455 -19.667 7.722 514 HB2 GLU 68 2HB GLU 68 20.565 -20.553 5.693 515 HB3 GLU 68 3HB GLU 68 20.834 -20.468 7.436 516 HG2 GLU 68 2HG GLU 68 18.775 -22.248 6.045 517 HG3 GLU 68 3HG GLU 68 20.353 -22.770 6.627 518 H SER 69 H SER 69 19.168 -17.728 8.648 519 HA SER 69 HA SER 69 21.234 -16.169 7.500 520 HB2 SER 69 2HB SER 69 19.293 -15.408 6.069 521 HB3 SER 69 3HB SER 69 18.448 -14.927 7.556 522 HG SER 69 HG SER 69 20.446 -13.680 7.975 Start of MODEL 27 1 H1 MET 1 H1 MET 1 -23.742 43.495 -7.781 2 H2 MET 1 H2 MET 1 -24.949 43.127 -8.843 3 H3 MET 1 H3 MET 1 -23.592 42.193 -8.774 4 HA MET 1 HA MET 1 -23.487 43.581 -10.707 5 HB2 MET 1 2HB MET 1 -24.244 45.653 -8.684 6 HB3 MET 1 3HB MET 1 -23.121 46.157 -9.957 7 HG2 MET 1 2HG MET 1 -24.632 45.435 -11.699 8 HG3 MET 1 3HG MET 1 -25.752 44.765 -10.508 9 HE1 MET 1 1HE MET 1 -25.336 47.562 -12.906 10 HE2 MET 1 2HE MET 1 -25.493 49.070 -11.984 11 HE3 MET 1 3HE MET 1 -24.029 48.076 -11.809 12 H LYS 2 H LYS 2 -21.532 42.206 -10.461 13 HA LYS 2 HA LYS 2 -19.341 43.966 -10.411 14 HB2 LYS 2 2HB LYS 2 -19.562 43.353 -7.861 15 HB3 LYS 2 3HB LYS 2 -19.008 41.755 -8.326 16 HG2 LYS 2 2HG LYS 2 -17.011 42.870 -7.773 17 HG3 LYS 2 3HG LYS 2 -17.059 43.038 -9.537 18 HD2 LYS 2 2HD LYS 2 -18.231 45.295 -9.150 19 HD3 LYS 2 3HD LYS 2 -17.840 45.113 -7.436 20 HE2 LYS 2 2HE LYS 2 -15.586 45.464 -7.759 21 HE3 LYS 2 3HE LYS 2 -15.582 44.672 -9.342 22 HZ1 LYS 2 1HZ LYS 2 -16.612 46.611 -10.283 23 HZ2 LYS 2 2HZ LYS 2 -16.653 47.371 -8.822 24 HZ3 LYS 2 3HZ LYS 2 -15.209 47.033 -9.541 25 H GLN 3 H GLN 3 -19.644 40.445 -9.720 26 HA GLN 3 HA GLN 3 -19.428 39.735 -12.477 27 HB2 GLN 3 2HB GLN 3 -16.951 40.079 -11.376 28 HB3 GLN 3 3HB GLN 3 -17.293 38.456 -10.775 29 HG2 GLN 3 2HG GLN 3 -17.927 37.951 -13.302 30 HG3 GLN 3 3HG GLN 3 -17.084 39.459 -13.635 31 HE21 GLN 3 1HE2 GLN 3 -16.631 36.117 -13.493 32 HE22 GLN 3 2HE2 GLN 3 -14.899 36.158 -13.227 33 H ASP 4 H ASP 4 -18.965 36.970 -12.049 34 HA ASP 4 HA ASP 4 -20.544 36.060 -9.777 35 HB2 ASP 4 2HB ASP 4 -21.374 35.871 -12.677 36 HB3 ASP 4 3HB ASP 4 -21.618 34.462 -11.644 37 H GLY 5 H GLY 5 -20.308 33.528 -9.810 38 HA2 GLY 5 2HA GLY 5 -17.947 32.498 -11.140 39 HA3 GLY 5 3HA GLY 5 -17.722 32.828 -9.406 40 H GLU 6 H GLU 6 -17.440 30.224 -9.937 41 HA GLU 6 HA GLU 6 -19.913 28.929 -9.024 42 HB2 GLU 6 2HB GLU 6 -18.509 28.491 -11.668 43 HB3 GLU 6 3HB GLU 6 -19.107 27.075 -10.798 44 HG2 GLU 6 2HG GLU 6 -21.367 28.058 -10.683 45 HG3 GLU 6 3HG GLU 6 -20.809 29.462 -11.609 46 H GLU 7 H GLU 7 -19.369 26.655 -8.260 47 HA GLU 7 HA GLU 7 -16.604 25.996 -7.906 48 HB2 GLU 7 2HB GLU 7 -17.144 27.487 -5.929 49 HB3 GLU 7 3HB GLU 7 -18.413 26.340 -5.465 50 HG2 GLU 7 2HG GLU 7 -16.695 24.538 -5.305 51 HG3 GLU 7 3HG GLU 7 -15.445 25.687 -5.791 52 H GLY 8 H GLY 8 -16.614 23.824 -8.223 53 HA2 GLY 8 2HA GLY 8 -19.210 22.384 -8.426 54 HA3 GLY 8 3HA GLY 8 -17.654 21.858 -9.099 55 H THR 9 H THR 9 -18.224 19.700 -7.965 56 HA THR 9 HA THR 9 -16.913 19.762 -5.384 57 HB THR 9 HB THR 9 -19.337 20.199 -4.891 58 HG1 THR 9 1HG THR 9 -18.128 19.359 -3.291 59 HG21 THR 9 1HG2 THR 9 -20.909 18.374 -5.049 60 HG22 THR 9 2HG2 THR 9 -20.236 18.688 -6.669 61 HG23 THR 9 3HG2 THR 9 -19.664 17.299 -5.717 62 H GLU 10 H GLU 10 -15.874 17.812 -4.948 63 HA GLU 10 HA GLU 10 -16.448 15.375 -6.317 64 HB2 GLU 10 2HB GLU 10 -14.410 17.186 -7.456 65 HB3 GLU 10 3HB GLU 10 -13.686 15.679 -6.886 66 HG2 GLU 10 2HG GLU 10 -15.320 14.364 -8.182 67 HG3 GLU 10 3HG GLU 10 -16.060 15.850 -8.786 68 H GLU 11 H GLU 11 -15.109 13.641 -5.231 69 HA GLU 11 HA GLU 11 -13.231 14.477 -3.202 70 HB2 GLU 11 2HB GLU 11 -15.426 14.618 -1.988 71 HB3 GLU 11 3HB GLU 11 -15.754 12.932 -2.417 72 HG2 GLU 11 2HG GLU 11 -13.773 12.192 -1.153 73 HG3 GLU 11 3HG GLU 11 -13.317 13.870 -0.839 74 H ASP 12 H ASP 12 -11.734 12.686 -2.900 75 HA ASP 12 HA ASP 12 -12.681 10.052 -3.659 76 HB2 ASP 12 2HB ASP 12 -11.750 11.005 -5.813 77 HB3 ASP 12 3HB ASP 12 -10.173 11.100 -5.016 78 H THR 13 H THR 13 -12.054 8.852 -2.041 79 HA THR 13 HA THR 13 -9.335 8.897 -0.974 80 HB THR 13 HB THR 13 -11.743 9.751 0.626 81 HG1 THR 13 1HG THR 13 -10.147 11.185 -0.378 82 HG21 THR 13 1HG2 THR 13 -10.861 8.134 2.179 83 HG22 THR 13 2HG2 THR 13 -9.182 8.624 1.824 84 HG23 THR 13 3HG2 THR 13 -10.282 9.721 2.682 85 H GLU 14 H GLU 14 -11.392 7.086 -2.522 86 HA GLU 14 HA GLU 14 -11.918 4.949 -0.557 87 HB2 GLU 14 2HB GLU 14 -12.437 5.395 -3.507 88 HB3 GLU 14 3HB GLU 14 -12.500 3.754 -2.859 89 HG2 GLU 14 2HG GLU 14 -14.092 6.037 -1.630 90 HG3 GLU 14 3HG GLU 14 -14.710 5.035 -2.947 91 H GLU 15 H GLU 15 -9.947 5.283 -3.572 92 HA GLU 15 HA GLU 15 -8.267 3.036 -2.547 93 HB2 GLU 15 2HB GLU 15 -7.620 2.804 -4.961 94 HB3 GLU 15 3HB GLU 15 -9.261 2.337 -4.536 95 HG2 GLU 15 2HG GLU 15 -10.232 4.270 -5.529 96 HG3 GLU 15 3HG GLU 15 -8.690 5.094 -5.697 97 H LYS 16 H LYS 16 -6.787 4.264 -1.234 98 HA LYS 16 HA LYS 16 -4.945 5.772 -2.966 99 HB2 LYS 16 2HB LYS 16 -4.944 7.730 -1.840 100 HB3 LYS 16 3HB LYS 16 -6.653 7.270 -1.737 101 HG2 LYS 16 2HG LYS 16 -6.011 6.300 0.544 102 HG3 LYS 16 3HG LYS 16 -4.532 7.291 0.363 103 HD2 LYS 16 2HD LYS 16 -7.413 8.282 0.206 104 HD3 LYS 16 3HD LYS 16 -6.384 8.492 1.617 105 HE2 LYS 16 2HE LYS 16 -5.428 9.517 -1.070 106 HE3 LYS 16 3HE LYS 16 -6.696 10.410 -0.232 107 HZ1 LYS 16 1HZ LYS 16 -5.269 10.765 1.592 108 HZ2 LYS 16 2HZ LYS 16 -4.114 9.732 1.013 109 HZ3 LYS 16 3HZ LYS 16 -4.383 11.129 0.245 110 H CYS 17 H CYS 17 -2.927 5.833 -2.468 111 HA CYS 17 HA CYS 17 -1.622 3.602 -1.118 112 HB2 CYS 17 2HB CYS 17 -1.053 4.902 -3.259 113 HB3 CYS 17 3HB CYS 17 -0.567 6.214 -2.206 114 H THR 18 H THR 18 -1.577 3.598 1.171 115 HA THR 18 HA THR 18 -1.839 6.006 2.670 116 HB THR 18 HB THR 18 -2.211 3.522 3.378 117 HG1 THR 18 1HG THR 18 -2.645 5.277 4.707 118 HG21 THR 18 1HG2 THR 18 -0.442 2.585 4.746 119 HG22 THR 18 2HG2 THR 18 0.218 2.881 3.117 120 HG23 THR 18 3HG2 THR 18 0.596 3.985 4.463 121 H ILE 19 H ILE 19 0.991 4.447 1.215 122 HA ILE 19 HA ILE 19 2.907 5.769 2.873 123 HB ILE 19 HB ILE 19 2.947 4.170 0.315 124 HG12 ILE 19 2HG1 ILE 19 4.285 3.316 2.868 125 HG13 ILE 19 3HG1 ILE 19 2.525 3.319 2.873 126 HG21 ILE 19 1HG2 ILE 19 5.436 4.024 0.663 127 HG22 ILE 19 2HG2 ILE 19 4.873 5.640 0.186 128 HG23 ILE 19 3HG2 ILE 19 5.290 5.312 1.883 129 HD11 ILE 19 1HD1 ILE 19 3.417 1.134 2.168 130 HD12 ILE 19 2HD1 ILE 19 2.442 1.901 0.894 131 HD13 ILE 19 3HD1 ILE 19 4.213 1.916 0.778 132 H CYS 20 H CYS 20 1.833 6.284 -0.572 133 HA CYS 20 HA CYS 20 3.362 8.834 -0.810 134 HB2 CYS 20 2HB CYS 20 1.058 7.838 -2.511 135 HB3 CYS 20 3HB CYS 20 2.219 9.115 -2.869 136 H LEU 21 H LEU 21 0.444 7.893 0.784 137 HA LEU 21 HA LEU 21 -1.557 8.736 1.147 138 HB2 LEU 21 2HB LEU 21 0.091 11.251 1.524 139 HB3 LEU 21 3HB LEU 21 -1.582 11.080 2.064 140 HG LEU 21 HG LEU 21 0.633 9.184 2.945 141 HD11 LEU 21 1HD1 LEU 21 -0.419 11.656 4.341 142 HD12 LEU 21 2HD1 LEU 21 0.700 10.446 5.027 143 HD13 LEU 21 3HD1 LEU 21 1.205 11.422 3.638 144 HD21 LEU 21 1HD2 LEU 21 -2.144 9.792 4.086 145 HD22 LEU 21 2HD2 LEU 21 -1.685 8.308 3.214 146 HD23 LEU 21 3HD2 LEU 21 -0.955 8.662 4.772 147 H SER 22 H SER 22 -0.791 8.648 -1.650 148 HA SER 22 HA SER 22 -2.456 10.854 -2.760 149 HB2 SER 22 2HB SER 22 0.083 10.661 -3.373 150 HB3 SER 22 3HB SER 22 -0.440 9.285 -4.372 151 HG SER 22 HG SER 22 -0.496 11.306 -5.490 152 H ILE 23 H ILE 23 -3.861 10.177 -4.579 153 HA ILE 23 HA ILE 23 -5.213 7.716 -3.931 154 HB ILE 23 HB ILE 23 -5.479 9.991 -5.944 155 HG12 ILE 23 2HG1 ILE 23 -6.041 10.294 -3.470 156 HG13 ILE 23 3HG1 ILE 23 -7.285 10.755 -4.628 157 HG21 ILE 23 1HG2 ILE 23 -7.214 7.510 -5.885 158 HG22 ILE 23 2HG2 ILE 23 -7.793 9.086 -6.469 159 HG23 ILE 23 3HG2 ILE 23 -6.409 8.325 -7.233 160 HD11 ILE 23 1HD1 ILE 23 -7.862 9.275 -2.505 161 HD12 ILE 23 2HD1 ILE 23 -8.678 9.017 -4.054 162 HD13 ILE 23 3HD1 ILE 23 -7.378 7.942 -3.586 163 H LEU 24 H LEU 24 -5.642 6.057 -5.608 164 HA LEU 24 HA LEU 24 -3.364 5.484 -7.395 165 HB2 LEU 24 2HB LEU 24 -5.640 3.822 -6.210 166 HB3 LEU 24 3HB LEU 24 -4.308 3.159 -7.161 167 HG LEU 24 HG LEU 24 -3.897 4.643 -4.520 168 HD11 LEU 24 1HD1 LEU 24 -5.206 2.631 -4.212 169 HD12 LEU 24 2HD1 LEU 24 -3.973 1.686 -5.087 170 HD13 LEU 24 3HD1 LEU 24 -3.574 2.467 -3.527 171 HD21 LEU 24 1HD2 LEU 24 -1.956 4.780 -5.824 172 HD22 LEU 24 2HD2 LEU 24 -1.675 3.378 -4.755 173 HD23 LEU 24 3HD2 LEU 24 -2.129 3.127 -6.453 174 H GLU 25 H GLU 25 -5.080 3.593 -8.928 175 HA GLU 25 HA GLU 25 -7.415 4.845 -9.701 176 HB2 GLU 25 2HB GLU 25 -6.986 5.275 -12.071 177 HB3 GLU 25 3HB GLU 25 -5.924 6.268 -11.066 178 HG2 GLU 25 2HG GLU 25 -4.085 4.686 -11.431 179 HG3 GLU 25 3HG GLU 25 -5.104 3.705 -12.492 180 H GLU 26 H GLU 26 -8.445 3.481 -11.551 181 HA GLU 26 HA GLU 26 -7.978 0.679 -10.950 182 HB2 GLU 26 2HB GLU 26 -10.248 1.689 -11.181 183 HB3 GLU 26 3HB GLU 26 -9.937 1.984 -12.897 184 HG2 GLU 26 2HG GLU 26 -9.684 -0.469 -13.268 185 HG3 GLU 26 3HG GLU 26 -9.857 -0.750 -11.536 186 H GLY 27 H GLY 27 -5.768 0.688 -11.764 187 HA2 GLY 27 2HA GLY 27 -5.225 -1.092 -13.604 188 HA3 GLY 27 3HA GLY 27 -5.616 0.221 -14.721 189 H GLU 28 H GLU 28 -3.758 0.136 -11.615 190 HA GLU 28 HA GLU 28 -1.429 1.317 -13.049 191 HB2 GLU 28 2HB GLU 28 -3.160 2.562 -11.215 192 HB3 GLU 28 3HB GLU 28 -1.786 2.149 -10.231 193 HG2 GLU 28 2HG GLU 28 -1.364 3.525 -12.910 194 HG3 GLU 28 3HG GLU 28 -1.942 4.461 -11.533 195 H ASP 29 H ASP 29 0.610 1.081 -11.505 196 HA ASP 29 HA ASP 29 0.699 -1.731 -10.842 197 HB2 ASP 29 2HB ASP 29 2.935 -1.549 -10.450 198 HB3 ASP 29 3HB ASP 29 2.625 -0.616 -11.868 199 H VAL 30 H VAL 30 -0.089 -2.556 -9.061 200 HA VAL 30 HA VAL 30 0.328 -1.186 -6.517 201 HB VAL 30 HB VAL 30 -1.999 -1.545 -5.809 202 HG11 VAL 30 1HG1 VAL 30 -1.333 0.676 -6.718 203 HG12 VAL 30 2HG1 VAL 30 -1.927 0.176 -8.317 204 HG13 VAL 30 3HG1 VAL 30 -3.052 0.314 -6.958 205 HG21 VAL 30 1HG2 VAL 30 -2.678 -3.348 -7.354 206 HG22 VAL 30 2HG2 VAL 30 -3.790 -1.972 -7.447 207 HG23 VAL 30 3HG2 VAL 30 -2.587 -2.217 -8.725 208 H ARG 31 H ARG 31 -0.144 -2.731 -4.724 209 HA ARG 31 HA ARG 31 -0.124 -5.564 -5.498 210 HB2 ARG 31 2HB ARG 31 2.002 -4.060 -3.972 211 HB3 ARG 31 3HB ARG 31 1.551 -5.643 -3.360 212 HG2 ARG 31 2HG ARG 31 1.892 -5.898 -6.209 213 HG3 ARG 31 3HG ARG 31 3.267 -4.987 -5.569 214 HD2 ARG 31 2HD ARG 31 3.751 -6.712 -3.940 215 HD3 ARG 31 3HD ARG 31 2.264 -7.594 -4.370 216 HE ARG 31 HE ARG 31 3.782 -7.265 -6.712 217 HH11 ARG 31 1HH1 ARG 31 5.412 -10.398 -6.547 218 HH12 ARG 31 2HH1 ARG 31 4.854 -9.123 -7.577 219 HH21 ARG 31 1HH2 ARG 31 5.000 -10.249 -4.194 220 HH22 ARG 31 2HH2 ARG 31 4.150 -8.871 -3.594 221 H ARG 32 H ARG 32 -0.965 -6.864 -3.778 222 HA ARG 32 HA ARG 32 -2.712 -5.296 -1.955 223 HB2 ARG 32 2HB ARG 32 -3.597 -6.710 -4.054 224 HB3 ARG 32 3HB ARG 32 -3.343 -8.082 -2.976 225 HG2 ARG 32 2HG ARG 32 -5.161 -5.669 -2.559 226 HG3 ARG 32 3HG ARG 32 -5.628 -7.344 -2.860 227 HD2 ARG 32 2HD ARG 32 -4.146 -7.679 -0.584 228 HD3 ARG 32 3HD ARG 32 -4.657 -6.043 -0.336 229 HE ARG 32 HE ARG 32 -6.941 -6.700 -0.340 230 HH11 ARG 32 1HH1 ARG 32 -8.189 -9.944 0.161 231 HH12 ARG 32 2HH1 ARG 32 -8.566 -8.264 0.181 232 HH21 ARG 32 1HH2 ARG 32 -6.001 -10.666 -0.373 233 HH22 ARG 32 2HH2 ARG 32 -4.784 -9.482 -0.682 234 H LEU 33 H LEU 33 -2.516 -5.915 0.229 235 HA LEU 33 HA LEU 33 -0.520 -8.006 0.800 236 HB2 LEU 33 2HB LEU 33 -0.930 -6.083 2.940 237 HB3 LEU 33 3HB LEU 33 0.572 -6.545 2.135 238 HG LEU 33 HG LEU 33 -1.389 -4.524 1.050 239 HD11 LEU 33 1HD1 LEU 33 -0.526 -3.838 3.286 240 HD12 LEU 33 2HD1 LEU 33 1.137 -4.029 2.700 241 HD13 LEU 33 3HD1 LEU 33 0.076 -2.790 1.997 242 HD21 LEU 33 1HD2 LEU 33 0.440 -3.735 -0.335 243 HD22 LEU 33 2HD2 LEU 33 1.601 -4.813 0.476 244 HD23 LEU 33 3HD2 LEU 33 0.354 -5.484 -0.578 245 HA PRO 34 HA PRO 34 -3.346 -10.251 3.013 246 HB2 PRO 34 2HB PRO 34 -2.431 -10.565 5.640 247 HB3 PRO 34 3HB PRO 34 -1.857 -11.457 4.204 248 HG2 PRO 34 2HG PRO 34 -0.564 -9.152 5.611 249 HG3 PRO 34 3HG PRO 34 0.181 -10.522 4.728 250 HD2 PRO 34 2HD PRO 34 -0.160 -7.915 3.807 251 HD3 PRO 34 3HD PRO 34 0.148 -9.295 2.741 252 H CYS 35 H CYS 35 -2.480 -7.387 5.014 253 HA CYS 35 HA CYS 35 -5.142 -7.186 6.301 254 HB2 CYS 35 2HB CYS 35 -4.146 -5.146 7.180 255 HB3 CYS 35 3HB CYS 35 -3.095 -6.540 7.460 256 H MET 36 H MET 36 -5.166 -7.230 3.330 257 HA MET 36 HA MET 36 -5.985 -6.153 1.577 258 HB2 MET 36 2HB MET 36 -8.299 -5.411 1.920 259 HB3 MET 36 3HB MET 36 -7.932 -6.936 2.726 260 HG2 MET 36 2HG MET 36 -7.784 -5.856 4.881 261 HG3 MET 36 3HG MET 36 -7.917 -4.250 4.151 262 HE1 MET 36 1HE MET 36 -9.754 -5.767 6.596 263 HE2 MET 36 2HE MET 36 -9.620 -4.034 6.208 264 HE3 MET 36 3HE MET 36 -11.219 -4.816 6.260 265 H HIS 37 H HIS 37 -3.921 -4.565 2.496 266 HA HIS 37 HA HIS 37 -4.992 -1.816 2.153 267 HB2 HIS 37 1HB HIS 37 -2.716 -3.079 3.651 268 HB3 HIS 37 2HB HIS 37 -2.502 -1.454 3.068 269 HD2 HIS 37 2HD HIS 37 -5.427 -0.252 3.650 270 HE1 HIS 37 1HE HIS 37 -4.460 -1.035 7.718 271 HE2 HIS 37 2HE HIS 37 -5.982 0.281 6.149 272 H LEU 38 H LEU 38 -5.172 -2.062 -0.185 273 HA LEU 38 HA LEU 38 -2.862 -2.872 -1.686 274 HB2 LEU 38 2HB LEU 38 -4.058 -2.322 -3.674 275 HB3 LEU 38 3HB LEU 38 -5.088 -3.224 -2.593 276 HG LEU 38 HG LEU 38 -5.487 -0.306 -2.268 277 HD11 LEU 38 1HD1 LEU 38 -6.107 -1.552 -4.977 278 HD12 LEU 38 2HD1 LEU 38 -6.507 0.095 -4.437 279 HD13 LEU 38 3HD1 LEU 38 -4.816 -0.373 -4.677 280 HD21 LEU 38 1HD2 LEU 38 -7.810 -0.910 -2.543 281 HD22 LEU 38 2HD2 LEU 38 -7.365 -2.545 -3.070 282 HD23 LEU 38 3HD2 LEU 38 -7.031 -2.016 -1.401 283 H PHE 39 H PHE 39 -1.120 -1.754 -2.397 284 HA PHE 39 HA PHE 39 -1.154 1.228 -2.330 285 HB2 PHE 39 2HB PHE 39 0.814 -0.677 -1.016 286 HB3 PHE 39 3HB PHE 39 1.098 1.049 -1.180 287 HD1 PHE 39 1HD PHE 39 1.199 -0.613 1.382 288 HD2 PHE 39 2HD PHE 39 -2.001 1.678 -0.358 289 HE1 PHE 39 1HE PHE 39 0.174 -0.337 3.609 290 HE2 PHE 39 2HE PHE 39 -3.062 1.886 1.835 291 HZ PHE 39 HZ PHE 39 -1.972 0.904 3.850 292 H HIS 40 H HIS 40 0.778 2.108 -3.598 293 HA HIS 40 HA HIS 40 0.920 0.900 -6.150 294 HB2 HIS 40 1HB HIS 40 2.848 2.800 -4.794 295 HB3 HIS 40 2HB HIS 40 3.051 2.277 -6.455 296 HD2 HIS 40 2HD HIS 40 0.960 2.861 -8.210 297 HE1 HIS 40 1HE HIS 40 0.345 6.605 -6.281 298 HE2 HIS 40 2HE HIS 40 0.008 5.204 -8.468 299 H GLN 41 H GLN 41 2.659 -0.203 -7.271 300 HA GLN 41 HA GLN 41 4.181 -2.073 -5.624 301 HB2 GLN 41 2HB GLN 41 2.994 -2.462 -7.911 302 HB3 GLN 41 3HB GLN 41 4.418 -1.716 -8.627 303 HG2 GLN 41 2HG GLN 41 5.850 -3.443 -8.024 304 HG3 GLN 41 3HG GLN 41 4.878 -3.926 -6.642 305 HE21 GLN 41 1HE2 GLN 41 3.974 -3.472 -10.122 306 HE22 GLN 41 2HE2 GLN 41 3.375 -5.114 -10.307 307 H VAL 42 H VAL 42 4.751 1.000 -5.849 308 HA VAL 42 HA VAL 42 7.718 0.698 -6.051 309 HB VAL 42 HB VAL 42 6.011 3.124 -6.762 310 HG11 VAL 42 1HG1 VAL 42 9.042 2.787 -6.650 311 HG12 VAL 42 2HG1 VAL 42 8.201 4.159 -7.403 312 HG13 VAL 42 3HG1 VAL 42 8.059 3.892 -5.663 313 HG21 VAL 42 1HG2 VAL 42 7.817 1.317 -8.432 314 HG22 VAL 42 2HG2 VAL 42 6.047 1.430 -8.543 315 HG23 VAL 42 3HG2 VAL 42 7.042 2.810 -9.011 316 H CYS 43 H CYS 43 5.216 2.911 -4.641 317 HA CYS 43 HA CYS 43 6.499 3.698 -2.270 318 HB2 CYS 43 2HB CYS 43 3.595 2.848 -2.531 319 HB3 CYS 43 3HB CYS 43 4.301 4.008 -1.414 320 H VAL 44 H VAL 44 4.496 0.728 -2.789 321 HA VAL 44 HA VAL 44 5.052 -0.108 -0.106 322 HB VAL 44 HB VAL 44 2.936 -0.452 -1.562 323 HG11 VAL 44 1HG1 VAL 44 4.205 -3.171 -1.976 324 HG12 VAL 44 2HG1 VAL 44 2.696 -2.493 -2.652 325 HG13 VAL 44 3HG1 VAL 44 4.282 -1.940 -3.238 326 HG21 VAL 44 1HG2 VAL 44 2.362 -2.333 -0.067 327 HG22 VAL 44 2HG2 VAL 44 4.091 -2.580 0.269 328 HG23 VAL 44 3HG2 VAL 44 3.302 -1.087 0.798 329 H ASP 45 H ASP 45 6.665 -0.541 -3.066 330 HA ASP 45 HA ASP 45 8.031 -3.040 -2.494 331 HB2 ASP 45 2HB ASP 45 8.079 -2.044 -4.748 332 HB3 ASP 45 3HB ASP 45 8.962 -0.643 -4.138 333 H GLN 46 H GLN 46 9.076 0.402 -2.178 334 HA GLN 46 HA GLN 46 11.235 -0.318 -0.459 335 HB2 GLN 46 2HB GLN 46 9.861 2.395 -0.734 336 HB3 GLN 46 3HB GLN 46 11.437 2.092 0.026 337 HG2 GLN 46 2HG GLN 46 12.181 1.061 -2.189 338 HG3 GLN 46 3HG GLN 46 10.702 1.721 -2.907 339 HE21 GLN 46 1HE2 GLN 46 13.629 2.386 -3.408 340 HE22 GLN 46 2HE2 GLN 46 13.703 4.121 -3.114 341 H ALA 47 H ALA 47 7.861 0.373 0.301 342 HA ALA 47 HA ALA 47 8.204 0.613 3.117 343 HB1 ALA 47 1HB ALA 47 6.094 0.993 1.841 344 HB2 ALA 47 2HB ALA 47 5.939 -0.776 1.653 345 HB3 ALA 47 3HB ALA 47 5.884 -0.050 3.271 346 H LEU 48 H LEU 48 7.464 -2.357 1.193 347 HA LEU 48 HA LEU 48 7.512 -4.122 3.365 348 HB2 LEU 48 2HB LEU 48 6.490 -4.443 1.109 349 HB3 LEU 48 3HB LEU 48 8.086 -4.727 0.423 350 HG LEU 48 HG LEU 48 7.045 -6.386 2.756 351 HD11 LEU 48 1HD1 LEU 48 6.562 -6.908 -0.207 352 HD12 LEU 48 2HD1 LEU 48 6.147 -8.002 1.130 353 HD13 LEU 48 3HD1 LEU 48 5.320 -6.443 0.976 354 HD21 LEU 48 1HD2 LEU 48 8.463 -8.153 1.697 355 HD22 LEU 48 2HD2 LEU 48 9.008 -6.980 0.488 356 HD23 LEU 48 3HD2 LEU 48 9.418 -6.774 2.208 357 H ILE 49 H ILE 49 10.134 -3.368 0.979 358 HA ILE 49 HA ILE 49 12.008 -5.141 2.171 359 HB ILE 49 HB ILE 49 13.704 -4.047 0.919 360 HG12 ILE 49 2HG1 ILE 49 12.738 -1.941 -0.501 361 HG13 ILE 49 3HG1 ILE 49 11.984 -1.688 1.086 362 HG21 ILE 49 1HG2 ILE 49 12.849 -4.236 -1.313 363 HG22 ILE 49 2HG2 ILE 49 12.065 -5.461 -0.299 364 HG23 ILE 49 3HG2 ILE 49 11.188 -3.994 -0.776 365 HD11 ILE 49 1HD1 ILE 49 14.950 -2.005 0.519 366 HD12 ILE 49 2HD1 ILE 49 14.108 -0.522 1.018 367 HD13 ILE 49 3HD1 ILE 49 14.250 -1.885 2.146 368 H THR 50 H THR 50 11.053 -1.823 3.089 369 HA THR 50 HA THR 50 13.275 -1.461 4.875 370 HB THR 50 HB THR 50 10.557 -0.136 4.587 371 HG1 THR 50 1HG THR 50 11.992 0.477 3.095 372 HG21 THR 50 1HG2 THR 50 12.706 0.519 6.635 373 HG22 THR 50 2HG2 THR 50 11.372 1.599 6.167 374 HG23 THR 50 3HG2 THR 50 11.014 0.062 6.962 375 H ASN 51 H ASN 51 9.829 -2.408 5.382 376 HA ASN 51 HA ASN 51 10.587 -4.307 7.430 377 HB2 ASN 51 2HB ASN 51 8.761 -1.920 8.006 378 HB3 ASN 51 3HB ASN 51 8.753 -3.391 8.974 379 HD21 ASN 51 1HD2 ASN 51 11.334 -4.039 9.550 380 HD22 ASN 51 2HD2 ASN 51 12.121 -2.650 10.270 381 H LYS 52 H LYS 52 9.375 -6.071 6.831 382 HA LYS 52 HA LYS 52 7.016 -5.803 5.140 383 HB2 LYS 52 2HB LYS 52 6.949 -8.232 5.305 384 HB3 LYS 52 3HB LYS 52 8.566 -7.677 4.899 385 HG2 LYS 52 2HG LYS 52 8.399 -7.846 7.801 386 HG3 LYS 52 3HG LYS 52 7.741 -9.334 7.116 387 HD2 LYS 52 2HD LYS 52 9.761 -9.583 5.720 388 HD3 LYS 52 3HD LYS 52 10.449 -8.113 6.437 389 HE2 LYS 52 2HE LYS 52 10.419 -9.185 8.661 390 HE3 LYS 52 3HE LYS 52 9.618 -10.612 7.977 391 HZ1 LYS 52 1HZ LYS 52 11.550 -10.937 6.569 392 HZ2 LYS 52 2HZ LYS 52 12.313 -9.650 7.242 393 HZ3 LYS 52 3HZ LYS 52 11.980 -10.979 8.163 394 H LYS 53 H LYS 53 6.382 -4.244 7.316 395 HA LYS 53 HA LYS 53 4.110 -5.743 8.348 396 HB2 LYS 53 2HB LYS 53 6.279 -4.565 10.059 397 HB3 LYS 53 3HB LYS 53 4.610 -4.263 10.566 398 HG2 LYS 53 2HG LYS 53 4.123 -6.524 10.912 399 HG3 LYS 53 3HG LYS 53 5.390 -7.073 9.803 400 HD2 LYS 53 2HD LYS 53 6.092 -7.637 12.000 401 HD3 LYS 53 3HD LYS 53 7.128 -6.347 11.370 402 HE2 LYS 53 2HE LYS 53 5.433 -4.750 12.617 403 HE3 LYS 53 3HE LYS 53 4.958 -6.219 13.487 404 HZ1 LYS 53 1HZ LYS 53 7.330 -6.485 14.062 405 HZ2 LYS 53 2HZ LYS 53 7.662 -5.035 13.358 406 HZ3 LYS 53 3HZ LYS 53 6.687 -5.103 14.682 407 H CYS 54 H CYS 54 2.370 -4.519 8.155 408 HA CYS 54 HA CYS 54 2.347 -2.078 6.609 409 HB2 CYS 54 2HB CYS 54 0.485 -3.918 7.873 410 HB3 CYS 54 3HB CYS 54 0.081 -2.261 8.341 411 HA PRO 55 HA PRO 55 2.869 0.927 9.943 412 HB2 PRO 55 2HB PRO 55 1.495 3.092 8.981 413 HB3 PRO 55 3HB PRO 55 3.027 2.515 8.274 414 HG2 PRO 55 2HG PRO 55 0.222 1.948 7.275 415 HG3 PRO 55 3HG PRO 55 1.662 2.447 6.343 416 HD2 PRO 55 2HD PRO 55 0.836 -0.164 6.591 417 HD3 PRO 55 3HD PRO 55 2.553 0.289 6.384 418 H ILE 56 H ILE 56 -0.423 2.075 9.128 419 HA ILE 56 HA ILE 56 -1.325 1.249 11.779 420 HB ILE 56 HB ILE 56 -2.877 2.607 9.553 421 HG12 ILE 56 2HG1 ILE 56 -1.098 4.112 10.042 422 HG13 ILE 56 3HG1 ILE 56 -2.513 4.691 10.905 423 HG21 ILE 56 1HG2 ILE 56 -4.294 1.555 11.322 424 HG22 ILE 56 2HG2 ILE 56 -3.439 2.488 12.556 425 HG23 ILE 56 3HG2 ILE 56 -4.404 3.314 11.319 426 HD11 ILE 56 1HD1 ILE 56 -0.824 4.945 12.489 427 HD12 ILE 56 2HD1 ILE 56 -1.482 3.376 12.969 428 HD13 ILE 56 3HD1 ILE 56 0.012 3.458 12.013 429 H CYS 57 H CYS 57 -0.948 -0.885 11.408 430 HA CYS 57 HA CYS 57 -3.207 -2.136 11.958 431 HB2 CYS 57 2HB CYS 57 -3.751 -3.840 10.446 432 HB3 CYS 57 3HB CYS 57 -3.896 -2.322 9.582 433 H ARG 58 H ARG 58 0.134 -2.393 10.846 434 HA ARG 58 HA ARG 58 1.918 -3.244 11.850 435 HB2 ARG 58 2HB ARG 58 0.383 -2.318 13.851 436 HB3 ARG 58 3HB ARG 58 0.424 -4.012 14.349 437 HG2 ARG 58 2HG ARG 58 2.937 -3.907 14.310 438 HG3 ARG 58 3HG ARG 58 2.821 -2.212 13.780 439 HD2 ARG 58 2HD ARG 58 1.383 -1.827 15.889 440 HD3 ARG 58 3HD ARG 58 1.974 -3.408 16.444 441 HE ARG 58 HE ARG 58 4.206 -1.887 15.651 442 HH11 ARG 58 1HH1 ARG 58 4.795 -0.102 18.636 443 HH12 ARG 58 2HH1 ARG 58 5.460 -0.579 17.121 444 HH21 ARG 58 1HH2 ARG 58 2.587 -0.745 19.216 445 HH22 ARG 58 2HH2 ARG 58 1.686 -1.720 18.112 446 H VAL 59 H VAL 59 0.190 -5.051 10.268 447 HA VAL 59 HA VAL 59 0.787 -7.688 11.511 448 HB VAL 59 HB VAL 59 -1.019 -6.983 9.147 449 HG11 VAL 59 1HG1 VAL 59 -1.971 -9.308 9.770 450 HG12 VAL 59 2HG1 VAL 59 -0.421 -9.272 8.932 451 HG13 VAL 59 3HG1 VAL 59 -0.475 -9.550 10.689 452 HG21 VAL 59 1HG2 VAL 59 -2.892 -7.438 10.744 453 HG22 VAL 59 2HG2 VAL 59 -1.707 -7.492 12.071 454 HG23 VAL 59 3HG2 VAL 59 -1.973 -5.998 11.149 455 H ASP 60 H ASP 60 1.892 -9.267 10.268 456 HA ASP 60 HA ASP 60 4.014 -8.244 8.622 457 HB2 ASP 60 2HB ASP 60 4.163 -10.222 10.169 458 HB3 ASP 60 3HB ASP 60 3.125 -11.116 9.050 459 H ILE 61 H ILE 61 4.241 -8.395 6.405 460 HA ILE 61 HA ILE 61 1.866 -9.334 4.887 461 HB ILE 61 HB ILE 61 2.276 -7.612 3.307 462 HG12 ILE 61 2HG1 ILE 61 4.594 -6.717 5.077 463 HG13 ILE 61 3HG1 ILE 61 4.760 -7.510 3.498 464 HG21 ILE 61 1HG2 ILE 61 2.429 -6.198 5.981 465 HG22 ILE 61 2HG2 ILE 61 1.444 -5.780 4.548 466 HG23 ILE 61 3HG2 ILE 61 1.005 -7.167 5.552 467 HD11 ILE 61 1HD1 ILE 61 4.959 -5.195 3.131 468 HD12 ILE 61 2HD1 ILE 61 3.356 -5.729 2.524 469 HD13 ILE 61 3HD1 ILE 61 3.485 -4.838 4.078 470 H GLU 62 H GLU 62 5.173 -9.804 5.371 471 HA GLU 62 HA GLU 62 6.112 -10.619 2.808 472 HB2 GLU 62 2HB GLU 62 7.423 -10.371 5.040 473 HB3 GLU 62 3HB GLU 62 6.789 -11.946 5.481 474 HG2 GLU 62 2HG GLU 62 8.897 -12.419 4.603 475 HG3 GLU 62 3HG GLU 62 7.828 -12.781 3.242 476 H ALA 63 H ALA 63 4.534 -12.373 5.471 477 HA ALA 63 HA ALA 63 3.492 -14.360 5.657 478 HB1 ALA 63 1HB ALA 63 1.867 -14.967 3.962 479 HB2 ALA 63 2HB ALA 63 1.929 -13.202 4.073 480 HB3 ALA 63 3HB ALA 63 2.736 -14.027 2.726 481 H GLN 64 H GLN 64 3.184 -16.510 3.719 482 HA GLN 64 HA GLN 64 5.954 -17.557 3.758 483 HB2 GLN 64 2HB GLN 64 3.234 -18.758 3.219 484 HB3 GLN 64 3HB GLN 64 4.630 -19.442 2.382 485 HG2 GLN 64 2HG GLN 64 5.787 -19.547 4.690 486 HG3 GLN 64 3HG GLN 64 4.165 -19.322 5.365 487 HE21 GLN 64 1HE2 GLN 64 6.392 -21.571 3.809 488 HE22 GLN 64 2HE2 GLN 64 5.257 -22.912 3.763 489 H LEU 65 H LEU 65 7.223 -16.602 2.226 490 HA LEU 65 HA LEU 65 6.364 -17.187 -0.539 491 HB2 LEU 65 2HB LEU 65 6.134 -14.632 0.261 492 HB3 LEU 65 3HB LEU 65 7.865 -14.621 -0.045 493 HG LEU 65 HG LEU 65 7.140 -15.824 -2.326 494 HD11 LEU 65 1HD1 LEU 65 4.931 -15.058 -3.109 495 HD12 LEU 65 2HD1 LEU 65 4.731 -16.002 -1.619 496 HD13 LEU 65 3HD1 LEU 65 4.643 -14.235 -1.560 497 HD21 LEU 65 1HD2 LEU 65 6.761 -12.853 -1.770 498 HD22 LEU 65 2HD2 LEU 65 8.269 -13.664 -2.240 499 HD23 LEU 65 3HD2 LEU 65 6.921 -13.583 -3.389 500 HA PRO 66 HA PRO 66 10.525 -18.780 0.400 501 HB2 PRO 66 2HB PRO 66 10.567 -20.948 -1.254 502 HB3 PRO 66 3HB PRO 66 9.648 -20.925 0.280 503 HG2 PRO 66 2HG PRO 66 8.597 -20.398 -2.516 504 HG3 PRO 66 3HG PRO 66 7.910 -21.476 -1.260 505 HD2 PRO 66 2HD PRO 66 7.007 -18.921 -1.670 506 HD3 PRO 66 3HD PRO 66 7.054 -19.651 -0.034 507 H SER 67 H SER 67 11.272 -16.730 -0.534 508 HA SER 67 HA SER 67 12.742 -17.279 -2.996 509 HB2 SER 67 2HB SER 67 10.418 -16.003 -3.400 510 HB3 SER 67 3HB SER 67 11.342 -14.607 -2.817 511 HG SER 67 HG SER 67 11.903 -16.325 -5.012 512 H GLU 68 H GLU 68 14.785 -16.210 -2.861 513 HA GLU 68 HA GLU 68 15.397 -15.181 -0.181 514 HB2 GLU 68 2HB GLU 68 16.763 -16.869 -1.649 515 HB3 GLU 68 3HB GLU 68 17.363 -15.424 -2.477 516 HG2 GLU 68 2HG GLU 68 18.285 -14.576 -0.363 517 HG3 GLU 68 3HG GLU 68 17.449 -15.840 0.549 518 H SER 69 H SER 69 16.958 -13.060 -0.210 519 HA SER 69 HA SER 69 16.327 -11.191 -2.295 520 HB2 SER 69 2HB SER 69 15.432 -9.528 -0.532 521 HB3 SER 69 3HB SER 69 14.312 -10.745 -1.177 522 HG SER 69 HG SER 69 14.874 -12.031 0.684 Start of MODEL 28 1 H1 MET 1 H1 MET 1 -12.060 46.320 8.886 2 H2 MET 1 H2 MET 1 -12.698 47.840 8.801 3 H3 MET 1 H3 MET 1 -13.200 46.765 9.964 4 HA MET 1 HA MET 1 -14.861 46.916 8.288 5 HB2 MET 1 2HB MET 1 -14.348 46.108 5.997 6 HB3 MET 1 3HB MET 1 -13.526 47.603 6.402 7 HG2 MET 1 2HG MET 1 -12.168 44.889 6.615 8 HG3 MET 1 3HG MET 1 -12.182 45.859 5.144 9 HE1 MET 1 1HE MET 1 -9.667 45.870 4.886 10 HE2 MET 1 2HE MET 1 -8.505 46.414 6.116 11 HE3 MET 1 3HE MET 1 -9.410 44.903 6.359 12 H LYS 2 H LYS 2 -15.399 44.564 6.830 13 HA LYS 2 HA LYS 2 -14.514 42.344 8.587 14 HB2 LYS 2 2HB LYS 2 -17.265 43.075 7.639 15 HB3 LYS 2 3HB LYS 2 -16.771 41.430 7.264 16 HG2 LYS 2 2HG LYS 2 -17.874 41.297 9.335 17 HG3 LYS 2 3HG LYS 2 -16.153 41.078 9.668 18 HD2 LYS 2 2HD LYS 2 -16.031 43.482 10.387 19 HD3 LYS 2 3HD LYS 2 -17.783 43.623 10.090 20 HE2 LYS 2 2HE LYS 2 -18.151 41.714 11.687 21 HE3 LYS 2 3HE LYS 2 -16.414 41.691 12.021 22 HZ1 LYS 2 1HZ LYS 2 -16.624 43.955 12.853 23 HZ2 LYS 2 2HZ LYS 2 -18.250 43.938 12.573 24 HZ3 LYS 2 3HZ LYS 2 -17.594 42.923 13.688 25 H GLN 3 H GLN 3 -13.855 40.501 7.376 26 HA GLN 3 HA GLN 3 -14.245 40.206 4.585 27 HB2 GLN 3 2HB GLN 3 -11.871 41.720 5.431 28 HB3 GLN 3 3HB GLN 3 -11.384 40.172 4.735 29 HG2 GLN 3 2HG GLN 3 -12.601 40.609 2.690 30 HG3 GLN 3 3HG GLN 3 -13.342 42.064 3.372 31 HE21 GLN 3 1HE2 GLN 3 -12.335 43.999 2.862 32 HE22 GLN 3 2HE2 GLN 3 -10.648 44.093 2.358 33 H ASP 4 H ASP 4 -13.791 37.934 4.123 34 HA ASP 4 HA ASP 4 -12.147 36.391 5.874 35 HB2 ASP 4 2HB ASP 4 -14.536 36.744 7.051 36 HB3 ASP 4 3HB ASP 4 -15.044 35.508 5.899 37 H GLY 5 H GLY 5 -12.353 33.943 5.035 38 HA2 GLY 5 2HA GLY 5 -13.772 33.386 2.653 39 HA3 GLY 5 3HA GLY 5 -12.133 33.909 2.210 40 H GLU 6 H GLU 6 -13.206 31.208 1.789 41 HA GLU 6 HA GLU 6 -11.170 29.668 3.180 42 HB2 GLU 6 2HB GLU 6 -13.958 29.693 4.048 43 HB3 GLU 6 3HB GLU 6 -13.615 28.129 3.322 44 HG2 GLU 6 2HG GLU 6 -11.886 29.398 5.486 45 HG3 GLU 6 3HG GLU 6 -13.221 28.285 5.802 46 H GLU 7 H GLU 7 -10.708 27.742 1.900 47 HA GLU 7 HA GLU 7 -12.372 26.997 -0.282 48 HB2 GLU 7 2HB GLU 7 -11.244 29.088 -1.220 49 HB3 GLU 7 3HB GLU 7 -9.704 28.224 -1.124 50 HG2 GLU 7 2HG GLU 7 -10.528 26.500 -2.650 51 HG3 GLU 7 3HG GLU 7 -12.168 27.155 -2.577 52 H GLY 8 H GLY 8 -12.063 24.780 -0.260 53 HA2 GLY 8 2HA GLY 8 -9.377 23.653 0.053 54 HA3 GLY 8 3HA GLY 8 -10.527 23.331 1.368 55 H THR 9 H THR 9 -9.437 21.259 -0.279 56 HA THR 9 HA THR 9 -11.797 20.218 -1.723 57 HB THR 9 HB THR 9 -10.151 19.599 -3.565 58 HG1 THR 9 1HG THR 9 -8.291 20.024 -2.221 59 HG21 THR 9 1HG2 THR 9 -10.186 21.735 -4.701 60 HG22 THR 9 2HG2 THR 9 -11.701 21.576 -3.786 61 HG23 THR 9 3HG2 THR 9 -10.389 22.616 -3.180 62 H GLU 10 H GLU 10 -11.758 17.806 -1.691 63 HA GLU 10 HA GLU 10 -9.338 16.566 -0.688 64 HB2 GLU 10 2HB GLU 10 -10.661 17.314 1.361 65 HB3 GLU 10 3HB GLU 10 -11.950 16.209 0.847 66 HG2 GLU 10 2HG GLU 10 -10.333 14.312 0.940 67 HG3 GLU 10 3HG GLU 10 -9.049 15.433 1.408 68 H GLU 11 H GLU 11 -9.136 14.625 -1.740 69 HA GLU 11 HA GLU 11 -11.571 13.348 -2.877 70 HB2 GLU 11 2HB GLU 11 -8.837 13.879 -4.105 71 HB3 GLU 11 3HB GLU 11 -9.800 12.487 -4.583 72 HG2 GLU 11 2HG GLU 11 -10.313 14.136 -6.161 73 HG3 GLU 11 3HG GLU 11 -11.722 13.982 -5.119 74 H ASP 12 H ASP 12 -11.909 11.600 -1.605 75 HA ASP 12 HA ASP 12 -9.870 9.570 -1.390 76 HB2 ASP 12 2HB ASP 12 -9.446 11.363 0.510 77 HB3 ASP 12 3HB ASP 12 -10.851 10.661 1.283 78 H THR 13 H THR 13 -11.766 8.862 -2.658 79 HA THR 13 HA THR 13 -13.679 7.464 -0.873 80 HB THR 13 HB THR 13 -14.133 10.047 -1.813 81 HG1 THR 13 1HG THR 13 -14.888 9.075 0.021 82 HG21 THR 13 1HG2 THR 13 -16.131 8.306 -3.266 83 HG22 THR 13 2HG2 THR 13 -16.127 10.067 -3.103 84 HG23 THR 13 3HG2 THR 13 -14.839 9.276 -4.027 85 H GLU 14 H GLU 14 -11.634 7.027 -3.243 86 HA GLU 14 HA GLU 14 -13.222 4.976 -4.596 87 HB2 GLU 14 2HB GLU 14 -11.629 7.281 -5.797 88 HB3 GLU 14 3HB GLU 14 -11.894 5.758 -6.664 89 HG2 GLU 14 2HG GLU 14 -14.368 6.035 -6.352 90 HG3 GLU 14 3HG GLU 14 -14.067 7.625 -5.639 91 H GLU 15 H GLU 15 -9.868 6.360 -4.907 92 HA GLU 15 HA GLU 15 -8.735 4.070 -3.465 93 HB2 GLU 15 2HB GLU 15 -7.491 3.557 -5.719 94 HB3 GLU 15 3HB GLU 15 -9.093 2.894 -5.430 95 HG2 GLU 15 2HG GLU 15 -10.153 4.437 -6.861 96 HG3 GLU 15 3HG GLU 15 -8.794 5.551 -6.869 97 H LYS 16 H LYS 16 -6.975 4.913 -2.388 98 HA LYS 16 HA LYS 16 -5.067 6.402 -4.015 99 HB2 LYS 16 2HB LYS 16 -4.552 8.016 -2.213 100 HB3 LYS 16 3HB LYS 16 -6.140 8.279 -2.941 101 HG2 LYS 16 2HG LYS 16 -7.271 7.378 -1.106 102 HG3 LYS 16 3HG LYS 16 -5.781 6.707 -0.404 103 HD2 LYS 16 2HD LYS 16 -6.330 8.683 0.831 104 HD3 LYS 16 3HD LYS 16 -4.892 9.043 -0.132 105 HE2 LYS 16 2HE LYS 16 -6.216 10.243 -1.797 106 HE3 LYS 16 3HE LYS 16 -7.720 9.658 -1.078 107 HZ1 LYS 16 1HZ LYS 16 -5.872 11.588 0.158 108 HZ2 LYS 16 2HZ LYS 16 -7.407 11.850 -0.421 109 HZ3 LYS 16 3HZ LYS 16 -7.179 10.912 0.910 110 H CYS 17 H CYS 17 -2.973 6.207 -3.300 111 HA CYS 17 HA CYS 17 -2.071 3.890 -1.689 112 HB2 CYS 17 2HB CYS 17 -0.912 4.914 -3.697 113 HB3 CYS 17 3HB CYS 17 -0.687 6.381 -2.756 114 H THR 18 H THR 18 -1.857 3.981 0.484 115 HA THR 18 HA THR 18 -2.297 6.507 1.866 116 HB THR 18 HB THR 18 -3.377 4.556 2.706 117 HG1 THR 18 1HG THR 18 -1.975 6.201 4.165 118 HG21 THR 18 1HG2 THR 18 -0.570 3.460 3.118 119 HG22 THR 18 2HG2 THR 18 -2.046 2.795 3.852 120 HG23 THR 18 3HG2 THR 18 -1.861 2.804 2.084 121 H ILE 19 H ILE 19 0.568 4.787 0.750 122 HA ILE 19 HA ILE 19 2.307 5.911 2.785 123 HB ILE 19 HB ILE 19 2.620 4.272 0.268 124 HG12 ILE 19 2HG1 ILE 19 3.633 3.587 3.034 125 HG13 ILE 19 3HG1 ILE 19 1.901 3.446 2.707 126 HG21 ILE 19 1HG2 ILE 19 4.820 5.485 1.978 127 HG22 ILE 19 2HG2 ILE 19 5.072 4.085 0.912 128 HG23 ILE 19 3HG2 ILE 19 4.585 5.643 0.219 129 HD11 ILE 19 1HD1 ILE 19 4.010 2.135 0.951 130 HD12 ILE 19 2HD1 ILE 19 3.184 1.345 2.304 131 HD13 ILE 19 3HD1 ILE 19 2.245 1.930 0.903 132 H CYS 20 H CYS 20 1.722 6.464 -0.741 133 HA CYS 20 HA CYS 20 3.390 8.940 -0.762 134 HB2 CYS 20 2HB CYS 20 1.401 8.117 -2.878 135 HB3 CYS 20 3HB CYS 20 2.823 9.151 -3.001 136 H LEU 21 H LEU 21 0.252 8.135 0.366 137 HA LEU 21 HA LEU 21 -1.742 9.122 0.457 138 HB2 LEU 21 2HB LEU 21 0.069 11.430 1.206 139 HB3 LEU 21 3HB LEU 21 -1.680 11.424 1.475 140 HG LEU 21 HG LEU 21 0.180 9.279 2.582 141 HD11 LEU 21 1HD1 LEU 21 -0.894 11.767 3.949 142 HD12 LEU 21 2HD1 LEU 21 0.000 10.437 4.731 143 HD13 LEU 21 3HD1 LEU 21 0.803 11.439 3.510 144 HD21 LEU 21 1HD2 LEU 21 -1.710 8.814 4.101 145 HD22 LEU 21 2HD2 LEU 21 -2.671 10.097 3.335 146 HD23 LEU 21 3HD2 LEU 21 -2.235 8.637 2.427 147 H SER 22 H SER 22 -1.626 8.717 -2.000 148 HA SER 22 HA SER 22 -2.492 11.194 -3.337 149 HB2 SER 22 2HB SER 22 0.070 10.876 -3.590 150 HB3 SER 22 3HB SER 22 -0.328 9.462 -4.587 151 HG SER 22 HG SER 22 -0.819 12.196 -5.032 152 H ILE 23 H ILE 23 -3.884 10.700 -5.150 153 HA ILE 23 HA ILE 23 -5.419 8.307 -4.875 154 HB ILE 23 HB ILE 23 -5.280 10.662 -6.785 155 HG12 ILE 23 2HG1 ILE 23 -6.146 10.921 -4.363 156 HG13 ILE 23 3HG1 ILE 23 -7.110 11.579 -5.679 157 HG21 ILE 23 1HG2 ILE 23 -6.134 8.995 -8.184 158 HG22 ILE 23 2HG2 ILE 23 -7.205 8.333 -6.944 159 HG23 ILE 23 3HG2 ILE 23 -7.520 9.939 -7.660 160 HD11 ILE 23 1HD1 ILE 23 -8.438 10.367 -3.924 161 HD12 ILE 23 2HD1 ILE 23 -8.698 9.766 -5.566 162 HD13 ILE 23 3HD1 ILE 23 -7.672 8.858 -4.438 163 H LEU 24 H LEU 24 -5.710 6.737 -6.585 164 HA LEU 24 HA LEU 24 -3.230 6.111 -8.089 165 HB2 LEU 24 2HB LEU 24 -5.679 4.489 -7.252 166 HB3 LEU 24 3HB LEU 24 -4.244 3.808 -8.033 167 HG LEU 24 HG LEU 24 -4.004 5.290 -5.393 168 HD11 LEU 24 1HD1 LEU 24 -4.784 2.448 -5.934 169 HD12 LEU 24 2HD1 LEU 24 -3.920 2.935 -4.446 170 HD13 LEU 24 3HD1 LEU 24 -5.500 3.645 -4.837 171 HD21 LEU 24 1HD2 LEU 24 -1.970 3.842 -5.271 172 HD22 LEU 24 2HD2 LEU 24 -2.283 3.379 -6.958 173 HD23 LEU 24 3HD2 LEU 24 -1.996 5.084 -6.549 174 H GLU 25 H GLU 25 -4.841 4.285 -9.831 175 HA GLU 25 HA GLU 25 -6.951 5.761 -10.903 176 HB2 GLU 25 2HB GLU 25 -6.299 6.080 -13.166 177 HB3 GLU 25 3HB GLU 25 -5.052 6.829 -12.161 178 HG2 GLU 25 2HG GLU 25 -3.580 4.877 -12.512 179 HG3 GLU 25 3HG GLU 25 -4.824 4.103 -13.509 180 H GLU 26 H GLU 26 -7.914 4.424 -12.838 181 HA GLU 26 HA GLU 26 -8.465 1.842 -11.899 182 HB2 GLU 26 2HB GLU 26 -9.978 3.106 -13.344 183 HB3 GLU 26 3HB GLU 26 -8.813 3.067 -14.663 184 HG2 GLU 26 2HG GLU 26 -9.679 1.137 -15.401 185 HG3 GLU 26 3HG GLU 26 -9.229 0.332 -13.903 186 H GLY 27 H GLY 27 -6.953 0.286 -11.688 187 HA2 GLY 27 2HA GLY 27 -5.795 -1.558 -12.555 188 HA3 GLY 27 3HA GLY 27 -5.812 -0.811 -14.159 189 H GLU 28 H GLU 28 -4.659 1.261 -11.555 190 HA GLU 28 HA GLU 28 -2.065 1.405 -12.712 191 HB2 GLU 28 2HB GLU 28 -3.443 3.075 -11.199 192 HB3 GLU 28 3HB GLU 28 -2.671 2.231 -9.862 193 HG2 GLU 28 2HG GLU 28 -0.434 2.796 -10.915 194 HG3 GLU 28 3HG GLU 28 -1.293 3.642 -12.205 195 H ASP 29 H ASP 29 -0.071 0.953 -11.532 196 HA ASP 29 HA ASP 29 0.290 -1.684 -10.550 197 HB2 ASP 29 2HB ASP 29 1.884 0.862 -10.334 198 HB3 ASP 29 3HB ASP 29 2.460 -0.638 -9.639 199 H VAL 30 H VAL 30 -1.037 -2.201 -8.865 200 HA VAL 30 HA VAL 30 -0.335 -1.041 -6.247 201 HB VAL 30 HB VAL 30 -2.646 -1.079 -5.496 202 HG11 VAL 30 1HG1 VAL 30 -2.407 0.536 -8.061 203 HG12 VAL 30 2HG1 VAL 30 -3.470 0.856 -6.691 204 HG13 VAL 30 3HG1 VAL 30 -1.715 0.993 -6.487 205 HG21 VAL 30 1HG2 VAL 30 -3.406 -1.796 -8.361 206 HG22 VAL 30 2HG2 VAL 30 -3.635 -2.817 -6.926 207 HG23 VAL 30 3HG2 VAL 30 -4.533 -1.299 -7.091 208 H ARG 31 H ARG 31 -0.542 -2.545 -4.536 209 HA ARG 31 HA ARG 31 -0.694 -5.369 -5.368 210 HB2 ARG 31 2HB ARG 31 1.455 -3.844 -3.888 211 HB3 ARG 31 3HB ARG 31 1.190 -5.523 -3.421 212 HG2 ARG 31 2HG ARG 31 1.529 -4.861 -6.345 213 HG3 ARG 31 3HG ARG 31 2.959 -4.898 -5.307 214 HD2 ARG 31 2HD ARG 31 1.026 -7.208 -5.154 215 HD3 ARG 31 3HD ARG 31 2.072 -7.098 -6.562 216 HE ARG 31 HE ARG 31 2.839 -7.711 -3.807 217 HH11 ARG 31 1HH1 ARG 31 6.213 -8.224 -4.731 218 HH12 ARG 31 2HH1 ARG 31 5.046 -8.449 -3.481 219 HH21 ARG 31 1HH2 ARG 31 5.606 -7.198 -6.771 220 HH22 ARG 31 2HH2 ARG 31 3.996 -6.631 -6.967 221 H ARG 32 H ARG 32 -0.965 -6.721 -3.254 222 HA ARG 32 HA ARG 32 -2.704 -5.253 -1.362 223 HB2 ARG 32 2HB ARG 32 -4.212 -6.408 -2.856 224 HB3 ARG 32 3HB ARG 32 -3.185 -7.847 -2.892 225 HG2 ARG 32 2HG ARG 32 -5.161 -8.283 -1.541 226 HG3 ARG 32 3HG ARG 32 -3.718 -8.349 -0.547 227 HD2 ARG 32 2HD ARG 32 -4.968 -7.020 0.835 228 HD3 ARG 32 3HD ARG 32 -4.299 -5.754 -0.142 229 HE ARG 32 HE ARG 32 -6.351 -5.334 -1.079 230 HH11 ARG 32 1HH1 ARG 32 -9.449 -6.968 -0.580 231 HH12 ARG 32 2HH1 ARG 32 -8.668 -5.593 -1.264 232 HH21 ARG 32 1HH2 ARG 32 -8.161 -8.612 0.556 233 HH22 ARG 32 2HH2 ARG 32 -6.449 -8.405 0.661 234 H LEU 33 H LEU 33 -2.473 -5.928 0.778 235 HA LEU 33 HA LEU 33 -0.439 -8.005 1.313 236 HB2 LEU 33 2HB LEU 33 -0.742 -6.235 3.543 237 HB3 LEU 33 3HB LEU 33 0.698 -6.537 2.577 238 HG LEU 33 HG LEU 33 -1.439 -4.521 1.827 239 HD11 LEU 33 1HD1 LEU 33 0.022 -2.809 2.784 240 HD12 LEU 33 2HD1 LEU 33 -0.458 -3.954 4.039 241 HD13 LEU 33 3HD1 LEU 33 1.169 -4.045 3.346 242 HD21 LEU 33 1HD2 LEU 33 0.387 -3.524 0.463 243 HD22 LEU 33 2HD2 LEU 33 1.548 -4.708 1.108 244 HD23 LEU 33 3HD2 LEU 33 0.276 -5.228 0.012 245 HA PRO 34 HA PRO 34 -3.283 -10.340 3.445 246 HB2 PRO 34 2HB PRO 34 -2.256 -10.811 6.003 247 HB3 PRO 34 3HB PRO 34 -1.755 -11.641 4.500 248 HG2 PRO 34 2HG PRO 34 -0.396 -9.368 5.932 249 HG3 PRO 34 3HG PRO 34 0.314 -10.762 5.060 250 HD2 PRO 34 2HD PRO 34 0.092 -8.202 4.054 251 HD3 PRO 34 3HD PRO 34 0.160 -9.628 3.004 252 H CYS 35 H CYS 35 -2.232 -7.546 5.407 253 HA CYS 35 HA CYS 35 -4.734 -7.331 6.979 254 HB2 CYS 35 2HB CYS 35 -3.629 -5.326 7.755 255 HB3 CYS 35 3HB CYS 35 -2.505 -6.694 7.832 256 H MET 36 H MET 36 -5.057 -7.394 4.009 257 HA MET 36 HA MET 36 -6.161 -6.337 2.384 258 HB2 MET 36 2HB MET 36 -8.424 -5.652 3.072 259 HB3 MET 36 3HB MET 36 -7.914 -7.159 3.838 260 HG2 MET 36 2HG MET 36 -7.392 -5.973 5.918 261 HG3 MET 36 3HG MET 36 -7.802 -4.425 5.175 262 HE1 MET 36 1HE MET 36 -9.271 -3.932 7.295 263 HE2 MET 36 2HE MET 36 -10.538 -5.028 7.899 264 HE3 MET 36 3HE MET 36 -8.831 -5.527 7.950 265 H HIS 37 H HIS 37 -4.058 -4.851 2.692 266 HA HIS 37 HA HIS 37 -5.124 -2.079 2.513 267 HB2 HIS 37 1HB HIS 37 -2.654 -3.256 3.715 268 HB3 HIS 37 2HB HIS 37 -2.429 -1.781 2.794 269 HD2 HIS 37 2HD HIS 37 -4.799 0.010 3.498 270 HE1 HIS 37 1HE HIS 37 -4.023 -0.672 7.622 271 HE2 HIS 37 2HE HIS 37 -5.216 0.832 5.945 272 H LEU 38 H LEU 38 -4.775 -0.946 0.619 273 HA LEU 38 HA LEU 38 -3.471 -2.402 -1.620 274 HB2 LEU 38 2HB LEU 38 -5.451 -2.105 -2.574 275 HB3 LEU 38 3HB LEU 38 -6.024 -0.944 -1.406 276 HG LEU 38 HG LEU 38 -4.031 -0.053 -3.523 277 HD11 LEU 38 1HD1 LEU 38 -5.883 0.440 -5.043 278 HD12 LEU 38 2HD1 LEU 38 -5.746 -1.295 -4.748 279 HD13 LEU 38 3HD1 LEU 38 -7.026 -0.355 -3.939 280 HD21 LEU 38 1HD2 LEU 38 -6.088 1.852 -3.188 281 HD22 LEU 38 2HD2 LEU 38 -5.816 1.249 -1.548 282 HD23 LEU 38 3HD2 LEU 38 -4.479 1.930 -2.470 283 H PHE 39 H PHE 39 -1.510 -1.636 -2.022 284 HA PHE 39 HA PHE 39 -0.817 1.198 -1.357 285 HB2 PHE 39 2HB PHE 39 0.725 -1.389 -0.887 286 HB3 PHE 39 3HB PHE 39 1.504 0.172 -0.913 287 HD1 PHE 39 1HD PHE 39 -1.643 0.575 0.864 288 HD2 PHE 39 2HD PHE 39 2.359 -0.915 1.272 289 HE1 PHE 39 1HE PHE 39 -1.878 0.628 3.291 290 HE2 PHE 39 2HE PHE 39 2.148 -0.793 3.729 291 HZ PHE 39 HZ PHE 39 0.010 -0.023 4.758 292 H HIS 40 H HIS 40 0.834 2.034 -2.971 293 HA HIS 40 HA HIS 40 0.566 0.976 -5.661 294 HB2 HIS 40 1HB HIS 40 2.601 2.745 -4.313 295 HB3 HIS 40 2HB HIS 40 2.921 2.157 -5.922 296 HD2 HIS 40 2HD HIS 40 0.708 2.776 -7.773 297 HE1 HIS 40 1HE HIS 40 0.539 6.673 -6.058 298 HE2 HIS 40 2HE HIS 40 -0.145 5.204 -8.070 299 H GLN 41 H GLN 41 2.206 -0.142 -6.898 300 HA GLN 41 HA GLN 41 3.618 -2.249 -5.600 301 HB2 GLN 41 2HB GLN 41 2.758 -2.069 -7.966 302 HB3 GLN 41 3HB GLN 41 4.171 -1.060 -8.341 303 HG2 GLN 41 2HG GLN 41 5.510 -2.879 -8.528 304 HG3 GLN 41 3HG GLN 41 4.936 -3.554 -6.999 305 HE21 GLN 41 1HE2 GLN 41 3.559 -3.017 -10.410 306 HE22 GLN 41 2HE2 GLN 41 2.811 -4.580 -10.410 307 H VAL 42 H VAL 42 4.777 0.943 -6.905 308 HA VAL 42 HA VAL 42 7.492 0.476 -6.090 309 HB VAL 42 HB VAL 42 6.024 3.090 -6.643 310 HG11 VAL 42 1HG1 VAL 42 8.053 3.557 -5.329 311 HG12 VAL 42 2HG1 VAL 42 9.009 2.488 -6.377 312 HG13 VAL 42 3HG1 VAL 42 8.333 4.004 -7.014 313 HG21 VAL 42 1HG2 VAL 42 6.096 1.565 -8.594 314 HG22 VAL 42 2HG2 VAL 42 7.200 2.924 -8.835 315 HG23 VAL 42 3HG2 VAL 42 7.843 1.340 -8.362 316 H CYS 43 H CYS 43 4.890 2.477 -4.513 317 HA CYS 43 HA CYS 43 6.404 3.204 -2.233 318 HB2 CYS 43 2HB CYS 43 3.440 2.580 -2.276 319 HB3 CYS 43 3HB CYS 43 4.326 3.601 -1.155 320 H VAL 44 H VAL 44 4.465 0.133 -2.756 321 HA VAL 44 HA VAL 44 5.006 -0.641 -0.103 322 HB VAL 44 HB VAL 44 3.041 -1.366 -1.492 323 HG11 VAL 44 1HG1 VAL 44 3.277 -3.386 -2.790 324 HG12 VAL 44 2HG1 VAL 44 4.382 -2.162 -3.441 325 HG13 VAL 44 3HG1 VAL 44 5.019 -3.474 -2.436 326 HG21 VAL 44 1HG2 VAL 44 4.580 -3.630 -0.196 327 HG22 VAL 44 2HG2 VAL 44 3.781 -2.363 0.726 328 HG23 VAL 44 3HG2 VAL 44 2.821 -3.429 -0.334 329 H ASP 45 H ASP 45 6.908 -0.924 -3.064 330 HA ASP 45 HA ASP 45 8.578 -3.112 -2.259 331 HB2 ASP 45 2HB ASP 45 8.838 -2.162 -4.486 332 HB3 ASP 45 3HB ASP 45 9.268 -0.584 -3.821 333 H GLN 46 H GLN 46 9.079 0.410 -1.854 334 HA GLN 46 HA GLN 46 11.155 0.034 0.077 335 HB2 GLN 46 2HB GLN 46 9.382 2.426 -0.604 336 HB3 GLN 46 3HB GLN 46 10.712 2.526 0.561 337 HG2 GLN 46 2HG GLN 46 11.041 1.660 -2.353 338 HG3 GLN 46 3HG GLN 46 11.345 3.288 -1.738 339 HE21 GLN 46 1HE2 GLN 46 12.693 0.050 -2.094 340 HE22 GLN 46 2HE2 GLN 46 14.176 0.437 -1.217 341 H ALA 47 H ALA 47 7.667 0.194 0.469 342 HA ALA 47 HA ALA 47 7.654 0.571 3.290 343 HB1 ALA 47 1HB ALA 47 5.785 -1.205 1.693 344 HB2 ALA 47 2HB ALA 47 5.447 -0.389 3.231 345 HB3 ALA 47 3HB ALA 47 5.661 0.578 1.749 346 H LEU 48 H LEU 48 7.562 -2.507 1.397 347 HA LEU 48 HA LEU 48 7.739 -4.218 3.552 348 HB2 LEU 48 2HB LEU 48 7.066 -4.650 1.165 349 HB3 LEU 48 3HB LEU 48 8.767 -4.716 0.722 350 HG LEU 48 HG LEU 48 7.486 -6.532 2.821 351 HD11 LEU 48 1HD1 LEU 48 6.339 -6.792 0.652 352 HD12 LEU 48 2HD1 LEU 48 7.906 -7.040 -0.152 353 HD13 LEU 48 3HD1 LEU 48 7.311 -8.221 1.038 354 HD21 LEU 48 1HD2 LEU 48 9.394 -8.057 2.191 355 HD22 LEU 48 2HD2 LEU 48 10.079 -6.739 1.219 356 HD23 LEU 48 3HD2 LEU 48 9.925 -6.589 2.984 357 H ILE 49 H ILE 49 10.453 -3.033 1.446 358 HA ILE 49 HA ILE 49 12.417 -4.505 2.873 359 HB ILE 49 HB ILE 49 14.069 -3.223 1.777 360 HG12 ILE 49 2HG1 ILE 49 12.983 -1.295 0.197 361 HG13 ILE 49 3HG1 ILE 49 12.081 -1.084 1.708 362 HG21 ILE 49 1HG2 ILE 49 11.779 -3.513 -0.183 363 HG22 ILE 49 2HG2 ILE 49 13.509 -3.575 -0.517 364 HG23 ILE 49 3HG2 ILE 49 12.752 -4.857 0.445 365 HD11 ILE 49 1HD1 ILE 49 14.230 -0.966 2.957 366 HD12 ILE 49 2HD1 ILE 49 15.107 -1.113 1.420 367 HD13 ILE 49 3HD1 ILE 49 14.086 0.308 1.729 368 H THR 50 H THR 50 10.966 -1.322 3.606 369 HA THR 50 HA THR 50 12.982 -0.720 5.589 370 HB THR 50 HB THR 50 10.214 0.444 5.073 371 HG1 THR 50 1HG THR 50 11.593 0.928 3.455 372 HG21 THR 50 1HG2 THR 50 12.460 1.461 6.871 373 HG22 THR 50 2HG2 THR 50 11.011 2.380 6.406 374 HG23 THR 50 3HG2 THR 50 10.849 0.930 7.409 375 H ASN 51 H ASN 51 9.616 -1.889 5.686 376 HA ASN 51 HA ASN 51 10.112 -3.623 7.912 377 HB2 ASN 51 2HB ASN 51 8.319 -2.715 9.361 378 HB3 ASN 51 3HB ASN 51 9.712 -1.649 9.224 379 HD21 ASN 51 1HD2 ASN 51 6.257 -2.005 8.387 380 HD22 ASN 51 2HD2 ASN 51 6.062 -0.300 8.023 381 H LYS 52 H LYS 52 9.498 -5.191 6.363 382 HA LYS 52 HA LYS 52 7.285 -5.614 4.922 383 HB2 LYS 52 2HB LYS 52 7.253 -7.981 5.709 384 HB3 LYS 52 3HB LYS 52 8.747 -7.329 5.052 385 HG2 LYS 52 2HG LYS 52 9.555 -6.984 7.468 386 HG3 LYS 52 3HG LYS 52 8.147 -7.949 7.975 387 HD2 LYS 52 2HD LYS 52 8.839 -9.793 6.598 388 HD3 LYS 52 3HD LYS 52 10.127 -8.830 5.852 389 HE2 LYS 52 2HE LYS 52 10.042 -9.614 8.786 390 HE3 LYS 52 3HE LYS 52 10.912 -10.497 7.511 391 HZ1 LYS 52 1HZ LYS 52 12.187 -8.544 7.057 392 HZ2 LYS 52 2HZ LYS 52 11.420 -7.684 8.236 393 HZ3 LYS 52 3HZ LYS 52 12.374 -8.969 8.637 394 H LYS 53 H LYS 53 7.091 -6.223 8.439 395 HA LYS 53 HA LYS 53 4.342 -6.620 8.383 396 HB2 LYS 53 2HB LYS 53 6.069 -5.419 10.614 397 HB3 LYS 53 3HB LYS 53 4.428 -6.024 10.880 398 HG2 LYS 53 2HG LYS 53 5.058 -8.277 10.533 399 HG3 LYS 53 3HG LYS 53 6.528 -7.842 9.673 400 HD2 LYS 53 2HD LYS 53 7.618 -8.290 11.541 401 HD3 LYS 53 3HD LYS 53 7.036 -6.748 12.162 402 HE2 LYS 53 2HE LYS 53 5.726 -9.487 12.504 403 HE3 LYS 53 3HE LYS 53 6.664 -8.626 13.732 404 HZ1 LYS 53 1HZ LYS 53 4.089 -7.721 12.589 405 HZ2 LYS 53 2HZ LYS 53 4.318 -8.321 14.090 406 HZ3 LYS 53 3HZ LYS 53 4.974 -6.873 13.668 407 H CYS 54 H CYS 54 2.694 -5.426 8.006 408 HA CYS 54 HA CYS 54 2.953 -3.048 6.639 409 HB2 CYS 54 2HB CYS 54 1.128 -4.389 6.160 410 HB3 CYS 54 3HB CYS 54 0.680 -4.586 7.852 411 HA PRO 55 HA PRO 55 3.592 -0.031 9.659 412 HB2 PRO 55 2HB PRO 55 2.920 2.289 8.315 413 HB3 PRO 55 3HB PRO 55 4.363 1.296 7.946 414 HG2 PRO 55 2HG PRO 55 1.672 1.244 6.551 415 HG3 PRO 55 3HG PRO 55 3.302 1.311 5.815 416 HD2 PRO 55 2HD PRO 55 1.970 -1.034 6.067 417 HD3 PRO 55 3HD PRO 55 3.737 -0.949 6.336 418 H ILE 56 H ILE 56 0.384 0.533 8.047 419 HA ILE 56 HA ILE 56 -0.556 1.760 10.586 420 HB ILE 56 HB ILE 56 -0.868 3.147 8.706 421 HG12 ILE 56 2HG1 ILE 56 -3.611 1.996 9.358 422 HG13 ILE 56 3HG1 ILE 56 -2.648 3.002 10.445 423 HG21 ILE 56 1HG2 ILE 56 -0.736 1.812 6.795 424 HG22 ILE 56 2HG2 ILE 56 -2.044 0.740 7.321 425 HG23 ILE 56 3HG2 ILE 56 -2.396 2.389 6.767 426 HD11 ILE 56 1HD1 ILE 56 -3.823 3.776 7.751 427 HD12 ILE 56 2HD1 ILE 56 -4.220 4.418 9.348 428 HD13 ILE 56 3HD1 ILE 56 -2.638 4.779 8.627 429 H CYS 57 H CYS 57 -0.118 -0.568 11.237 430 HA CYS 57 HA CYS 57 -2.257 -2.101 12.129 431 HB2 CYS 57 2HB CYS 57 -2.243 -3.985 10.425 432 HB3 CYS 57 3HB CYS 57 -3.117 -2.544 9.994 433 H ARG 58 H ARG 58 -0.682 -4.628 11.354 434 HA ARG 58 HA ARG 58 1.954 -4.051 12.488 435 HB2 ARG 58 2HB ARG 58 -0.137 -4.310 14.325 436 HB3 ARG 58 3HB ARG 58 0.432 -5.956 14.223 437 HG2 ARG 58 2HG ARG 58 1.753 -5.206 15.919 438 HG3 ARG 58 3HG ARG 58 2.837 -4.806 14.577 439 HD2 ARG 58 2HD ARG 58 2.149 -2.474 14.648 440 HD3 ARG 58 3HD ARG 58 0.783 -2.868 15.709 441 HE ARG 58 HE ARG 58 3.394 -3.544 16.809 442 HH11 ARG 58 1HH1 ARG 58 3.046 -1.155 19.378 443 HH12 ARG 58 2HH1 ARG 58 3.894 -2.563 18.862 444 HH21 ARG 58 1HH2 ARG 58 1.318 -0.250 18.023 445 HH22 ARG 58 2HH2 ARG 58 0.990 -0.989 16.494 446 H VAL 59 H VAL 59 0.340 -5.938 10.315 447 HA VAL 59 HA VAL 59 1.175 -8.582 11.394 448 HB VAL 59 HB VAL 59 -0.749 -7.936 9.121 449 HG11 VAL 59 1HG1 VAL 59 0.076 -10.268 9.186 450 HG12 VAL 59 2HG1 VAL 59 -0.397 -10.397 10.899 451 HG13 VAL 59 3HG1 VAL 59 -1.629 -10.199 9.637 452 HG21 VAL 59 1HG2 VAL 59 -1.685 -6.856 11.107 453 HG22 VAL 59 2HG2 VAL 59 -2.575 -8.344 10.801 454 HG23 VAL 59 3HG2 VAL 59 -1.355 -8.302 12.090 455 H ASP 60 H ASP 60 2.392 -9.995 10.141 456 HA ASP 60 HA ASP 60 4.232 -8.593 8.390 457 HB2 ASP 60 2HB ASP 60 4.719 -10.534 10.066 458 HB3 ASP 60 3HB ASP 60 4.217 -11.555 8.728 459 H ILE 61 H ILE 61 4.508 -8.917 6.265 460 HA ILE 61 HA ILE 61 2.174 -9.948 4.739 461 HB ILE 61 HB ILE 61 2.413 -8.097 3.292 462 HG12 ILE 61 2HG1 ILE 61 4.923 -7.332 4.848 463 HG13 ILE 61 3HG1 ILE 61 4.944 -8.049 3.278 464 HG21 ILE 61 1HG2 ILE 61 1.437 -7.713 5.718 465 HG22 ILE 61 2HG2 ILE 61 2.925 -6.789 5.989 466 HG23 ILE 61 3HG2 ILE 61 1.786 -6.298 4.713 467 HD11 ILE 61 1HD1 ILE 61 3.542 -6.244 2.372 468 HD12 ILE 61 2HD1 ILE 61 3.698 -5.386 3.923 469 HD13 ILE 61 3HD1 ILE 61 5.154 -5.698 2.944 470 H GLU 62 H GLU 62 5.544 -10.217 5.241 471 HA GLU 62 HA GLU 62 6.448 -10.920 2.660 472 HB2 GLU 62 2HB GLU 62 7.712 -10.203 4.681 473 HB3 GLU 62 3HB GLU 62 7.496 -11.805 5.387 474 HG2 GLU 62 2HG GLU 62 8.935 -12.797 3.758 475 HG3 GLU 62 3HG GLU 62 8.717 -11.450 2.632 476 H ALA 63 H ALA 63 4.867 -12.189 1.759 477 HA ALA 63 HA ALA 63 3.726 -13.926 1.068 478 HB1 ALA 63 1HB ALA 63 5.867 -15.153 1.257 479 HB2 ALA 63 2HB ALA 63 5.386 -15.697 2.878 480 HB3 ALA 63 3HB ALA 63 4.433 -16.186 1.455 481 H GLN 64 H GLN 64 2.324 -15.884 2.059 482 HA GLN 64 HA GLN 64 0.864 -14.674 4.369 483 HB2 GLN 64 2HB GLN 64 -0.256 -16.081 1.907 484 HB3 GLN 64 3HB GLN 64 -1.177 -15.467 3.281 485 HG2 GLN 64 2HG GLN 64 -1.439 -13.646 1.985 486 HG3 GLN 64 3HG GLN 64 0.132 -13.184 2.637 487 HE21 GLN 64 1HE2 GLN 64 -1.604 -13.345 -0.213 488 HE22 GLN 64 2HE2 GLN 64 -0.251 -13.562 -1.314 489 H LEU 65 H LEU 65 2.475 -16.163 5.503 490 HA LEU 65 HA LEU 65 0.879 -18.503 6.284 491 HB2 LEU 65 2HB LEU 65 2.872 -19.984 6.348 492 HB3 LEU 65 3HB LEU 65 2.275 -19.630 4.738 493 HG LEU 65 HG LEU 65 4.412 -17.756 5.641 494 HD11 LEU 65 1HD1 LEU 65 5.036 -20.707 5.183 495 HD12 LEU 65 2HD1 LEU 65 6.229 -19.392 5.304 496 HD13 LEU 65 3HD1 LEU 65 5.239 -19.811 6.708 497 HD21 LEU 65 1HD2 LEU 65 5.249 -18.188 3.382 498 HD22 LEU 65 2HD2 LEU 65 4.093 -19.521 3.174 499 HD23 LEU 65 3HD2 LEU 65 3.509 -17.851 3.321 500 HA PRO 66 HA PRO 66 2.877 -15.874 9.528 501 HB2 PRO 66 2HB PRO 66 0.667 -15.138 10.964 502 HB3 PRO 66 3HB PRO 66 1.147 -14.333 9.438 503 HG2 PRO 66 2HG PRO 66 -0.901 -16.550 9.794 504 HG3 PRO 66 3HG PRO 66 -1.093 -14.997 8.917 505 HD2 PRO 66 2HD PRO 66 -0.442 -17.305 7.623 506 HD3 PRO 66 3HD PRO 66 0.261 -15.734 7.130 507 H SER 67 H SER 67 3.907 -17.829 10.307 508 HA SER 67 HA SER 67 2.728 -18.602 12.875 509 HB2 SER 67 2HB SER 67 1.968 -20.299 11.086 510 HB3 SER 67 3HB SER 67 3.675 -20.747 10.924 511 HG SER 67 HG SER 67 1.987 -20.938 13.198 512 H GLU 68 H GLU 68 4.417 -18.190 14.257 513 HA GLU 68 HA GLU 68 6.456 -17.562 14.951 514 HB2 GLU 68 2HB GLU 68 6.907 -20.305 13.783 515 HB3 GLU 68 3HB GLU 68 8.260 -19.423 14.500 516 HG2 GLU 68 2HG GLU 68 5.654 -19.814 16.010 517 HG3 GLU 68 3HG GLU 68 6.944 -21.020 16.022 518 H SER 69 H SER 69 8.063 -19.070 12.135 519 HA SER 69 HA SER 69 8.492 -16.622 10.723 520 HB2 SER 69 2HB SER 69 10.762 -17.894 12.326 521 HB3 SER 69 3HB SER 69 11.009 -16.772 10.974 522 HG SER 69 HG SER 69 9.247 -15.918 12.930 Start of MODEL 29 1 H1 MET 1 H1 MET 1 8.177 4.116 -29.157 2 H2 MET 1 H2 MET 1 7.171 3.150 -30.036 3 H3 MET 1 H3 MET 1 7.069 3.161 -28.396 4 HA MET 1 HA MET 1 8.159 1.182 -29.088 5 HB2 MET 1 2HB MET 1 10.113 1.199 -30.466 6 HB3 MET 1 3HB MET 1 8.874 2.166 -31.262 7 HG2 MET 1 2HG MET 1 10.158 4.139 -29.875 8 HG3 MET 1 3HG MET 1 11.480 2.991 -30.054 9 HE1 MET 1 1HE MET 1 9.716 5.947 -31.466 10 HE2 MET 1 2HE MET 1 9.628 5.709 -33.223 11 HE3 MET 1 3HE MET 1 8.576 4.758 -32.150 12 H LYS 2 H LYS 2 8.022 2.799 -26.603 13 HA LYS 2 HA LYS 2 10.434 1.869 -25.407 14 HB2 LYS 2 2HB LYS 2 10.761 4.366 -26.476 15 HB3 LYS 2 3HB LYS 2 10.003 4.821 -24.949 16 HG2 LYS 2 2HG LYS 2 11.767 3.577 -23.715 17 HG3 LYS 2 3HG LYS 2 12.459 3.028 -25.255 18 HD2 LYS 2 2HD LYS 2 13.035 5.281 -25.899 19 HD3 LYS 2 3HD LYS 2 12.211 5.971 -24.489 20 HE2 LYS 2 2HE LYS 2 14.354 3.881 -24.067 21 HE3 LYS 2 3HE LYS 2 14.860 5.515 -24.516 22 HZ1 LYS 2 1HZ LYS 2 13.758 6.384 -22.614 23 HZ2 LYS 2 2HZ LYS 2 13.116 4.925 -22.209 24 HZ3 LYS 2 3HZ LYS 2 14.742 5.168 -22.112 25 H GLN 3 H GLN 3 10.184 2.565 -22.904 26 HA GLN 3 HA GLN 3 7.369 2.354 -22.108 27 HB2 GLN 3 2HB GLN 3 10.031 2.406 -20.725 28 HB3 GLN 3 3HB GLN 3 8.757 3.276 -19.893 29 HG2 GLN 3 2HG GLN 3 7.501 0.860 -20.622 30 HG3 GLN 3 3HG GLN 3 9.138 0.385 -20.168 31 HE21 GLN 3 1HE2 GLN 3 6.001 1.221 -18.946 32 HE22 GLN 3 2HE2 GLN 3 6.513 1.468 -17.289 33 H ASP 4 H ASP 4 6.500 4.104 -20.616 34 HA ASP 4 HA ASP 4 7.309 6.819 -21.318 35 HB2 ASP 4 2HB ASP 4 5.453 5.768 -22.923 36 HB3 ASP 4 3HB ASP 4 4.387 6.047 -21.542 37 H GLY 5 H GLY 5 5.778 8.312 -19.754 38 HA2 GLY 5 2HA GLY 5 4.914 6.924 -17.336 39 HA3 GLY 5 3HA GLY 5 6.469 7.760 -17.168 40 H GLU 6 H GLU 6 4.291 8.574 -15.586 41 HA GLU 6 HA GLU 6 3.888 11.288 -16.533 42 HB2 GLU 6 2HB GLU 6 1.517 11.255 -16.456 43 HB3 GLU 6 3HB GLU 6 1.978 9.884 -17.448 44 HG2 GLU 6 2HG GLU 6 0.482 8.763 -16.165 45 HG3 GLU 6 3HG GLU 6 1.826 8.609 -15.040 46 H GLU 7 H GLU 7 2.623 12.471 -14.580 47 HA GLU 7 HA GLU 7 2.663 11.051 -12.107 48 HB2 GLU 7 2HB GLU 7 5.052 11.711 -12.179 49 HB3 GLU 7 3HB GLU 7 4.593 13.407 -12.384 50 HG2 GLU 7 2HG GLU 7 3.547 13.430 -10.168 51 HG3 GLU 7 3HG GLU 7 3.738 11.679 -10.019 52 H GLY 8 H GLY 8 0.467 11.576 -11.913 53 HA2 GLY 8 2HA GLY 8 -0.050 14.374 -11.095 54 HA3 GLY 8 3HA GLY 8 -1.024 13.700 -12.420 55 H THR 9 H THR 9 -1.816 14.508 -9.581 56 HA THR 9 HA THR 9 -3.252 12.014 -8.914 57 HB THR 9 HB THR 9 -2.657 12.396 -6.480 58 HG1 THR 9 1HG THR 9 -1.759 14.497 -6.865 59 HG21 THR 9 1HG2 THR 9 -1.650 10.569 -7.830 60 HG22 THR 9 2HG2 THR 9 -0.295 11.648 -8.243 61 HG23 THR 9 3HG2 THR 9 -0.564 11.187 -6.558 62 H GLU 10 H GLU 10 -5.308 12.872 -9.274 63 HA GLU 10 HA GLU 10 -6.256 14.915 -7.480 64 HB2 GLU 10 2HB GLU 10 -6.931 16.512 -9.231 65 HB3 GLU 10 3HB GLU 10 -5.182 16.340 -9.145 66 HG2 GLU 10 2HG GLU 10 -5.510 14.566 -11.086 67 HG3 GLU 10 3HG GLU 10 -7.074 15.360 -11.292 68 H GLU 11 H GLU 11 -8.614 15.145 -7.715 69 HA GLU 11 HA GLU 11 -10.573 14.081 -7.464 70 HB2 GLU 11 2HB GLU 11 -9.931 13.394 -10.314 71 HB3 GLU 11 3HB GLU 11 -11.289 12.576 -9.535 72 HG2 GLU 11 2HG GLU 11 -12.187 14.782 -8.797 73 HG3 GLU 11 3HG GLU 11 -10.902 15.592 -9.699 74 H ASP 12 H ASP 12 -11.679 11.759 -7.707 75 HA ASP 12 HA ASP 12 -11.988 9.848 -6.681 76 HB2 ASP 12 2HB ASP 12 -10.476 9.193 -8.464 77 HB3 ASP 12 3HB ASP 12 -9.116 9.285 -7.376 78 H THR 13 H THR 13 -12.198 9.040 -4.712 79 HA THR 13 HA THR 13 -10.091 9.390 -2.704 80 HB THR 13 HB THR 13 -12.694 10.902 -2.616 81 HG1 THR 13 1HG THR 13 -10.560 11.721 -3.185 82 HG21 THR 13 1HG2 THR 13 -12.248 11.486 -0.221 83 HG22 THR 13 2HG2 THR 13 -12.877 9.850 -0.451 84 HG23 THR 13 3HG2 THR 13 -11.147 10.097 -0.123 85 H GLU 14 H GLU 14 -11.757 7.239 -4.251 86 HA GLU 14 HA GLU 14 -13.119 5.839 -2.062 87 HB2 GLU 14 2HB GLU 14 -12.636 5.403 -5.033 88 HB3 GLU 14 3HB GLU 14 -13.181 4.087 -3.993 89 HG2 GLU 14 2HG GLU 14 -15.118 5.201 -5.060 90 HG3 GLU 14 3HG GLU 14 -15.163 5.349 -3.305 91 H GLU 15 H GLU 15 -10.192 5.683 -4.188 92 HA GLU 15 HA GLU 15 -8.992 4.038 -2.044 93 HB2 GLU 15 2HB GLU 15 -7.965 2.546 -3.654 94 HB3 GLU 15 3HB GLU 15 -9.705 2.387 -3.529 95 HG2 GLU 15 2HG GLU 15 -10.100 3.440 -5.639 96 HG3 GLU 15 3HG GLU 15 -8.439 3.999 -5.772 97 H LYS 16 H LYS 16 -7.374 4.977 -1.297 98 HA LYS 16 HA LYS 16 -5.422 6.278 -3.088 99 HB2 LYS 16 2HB LYS 16 -5.018 8.027 -1.322 100 HB3 LYS 16 3HB LYS 16 -6.497 8.198 -2.287 101 HG2 LYS 16 2HG LYS 16 -7.906 7.594 -0.599 102 HG3 LYS 16 3HG LYS 16 -6.643 6.748 0.322 103 HD2 LYS 16 2HD LYS 16 -7.125 8.788 1.520 104 HD3 LYS 16 3HD LYS 16 -5.537 8.936 0.771 105 HE2 LYS 16 2HE LYS 16 -6.401 10.976 0.156 106 HE3 LYS 16 3HE LYS 16 -6.919 10.014 -1.235 107 HZ1 LYS 16 1HZ LYS 16 -8.562 10.765 1.095 108 HZ2 LYS 16 2HZ LYS 16 -8.753 11.287 -0.456 109 HZ3 LYS 16 3HZ LYS 16 -9.062 9.723 -0.080 110 H CYS 17 H CYS 17 -3.346 6.129 -2.425 111 HA CYS 17 HA CYS 17 -2.333 3.864 -0.844 112 HB2 CYS 17 2HB CYS 17 -1.393 5.021 -2.925 113 HB3 CYS 17 3HB CYS 17 -1.142 6.430 -1.926 114 H THR 18 H THR 18 -1.177 4.154 1.139 115 HA THR 18 HA THR 18 -1.972 6.591 2.669 116 HB THR 18 HB THR 18 -2.949 4.439 3.411 117 HG1 THR 18 1HG THR 18 -1.283 5.994 5.087 118 HG21 THR 18 1HG2 THR 18 -0.865 3.093 2.997 119 HG22 THR 18 2HG2 THR 18 -0.122 3.876 4.403 120 HG23 THR 18 3HG2 THR 18 -1.571 2.880 4.626 121 H ILE 19 H ILE 19 0.794 5.020 1.313 122 HA ILE 19 HA ILE 19 2.673 5.889 3.363 123 HB ILE 19 HB ILE 19 2.748 4.513 0.683 124 HG12 ILE 19 2HG1 ILE 19 3.931 3.456 3.247 125 HG13 ILE 19 3HG1 ILE 19 2.170 3.438 3.054 126 HG21 ILE 19 1HG2 ILE 19 5.142 5.404 2.343 127 HG22 ILE 19 2HG2 ILE 19 5.225 4.177 1.058 128 HG23 ILE 19 3HG2 ILE 19 4.783 5.828 0.650 129 HD11 ILE 19 1HD1 ILE 19 2.278 2.149 1.060 130 HD12 ILE 19 2HD1 ILE 19 4.038 2.311 0.941 131 HD13 ILE 19 3HD1 ILE 19 3.342 1.361 2.263 132 H CYS 20 H CYS 20 2.414 6.496 -0.190 133 HA CYS 20 HA CYS 20 3.592 9.221 0.136 134 HB2 CYS 20 2HB CYS 20 3.147 9.013 -2.476 135 HB3 CYS 20 3HB CYS 20 4.573 8.428 -1.669 136 H LEU 21 H LEU 21 0.617 8.148 0.871 137 HA LEU 21 HA LEU 21 -1.477 8.715 0.617 138 HB2 LEU 21 2HB LEU 21 -0.113 11.372 1.093 139 HB3 LEU 21 3HB LEU 21 -1.865 11.172 1.216 140 HG LEU 21 HG LEU 21 0.069 9.443 2.805 141 HD11 LEU 21 1HD1 LEU 21 -0.434 10.917 4.720 142 HD12 LEU 21 2HD1 LEU 21 0.421 11.787 3.432 143 HD13 LEU 21 3HD1 LEU 21 -1.332 12.015 3.643 144 HD21 LEU 21 1HD2 LEU 21 -2.869 10.125 3.272 145 HD22 LEU 21 2HD2 LEU 21 -2.315 8.649 2.475 146 HD23 LEU 21 3HD2 LEU 21 -1.875 8.944 4.160 147 H SER 22 H SER 22 -0.028 8.722 -2.017 148 HA SER 22 HA SER 22 -1.356 10.608 -3.707 149 HB2 SER 22 2HB SER 22 -0.232 7.876 -4.361 150 HB3 SER 22 3HB SER 22 -0.245 9.300 -5.427 151 HG SER 22 HG SER 22 1.199 10.190 -3.680 152 H ILE 23 H ILE 23 -3.586 10.427 -4.368 153 HA ILE 23 HA ILE 23 -5.228 8.212 -3.964 154 HB ILE 23 HB ILE 23 -5.016 10.528 -5.922 155 HG12 ILE 23 2HG1 ILE 23 -6.804 11.489 -4.692 156 HG13 ILE 23 3HG1 ILE 23 -7.092 9.991 -3.795 157 HG21 ILE 23 1HG2 ILE 23 -7.213 8.420 -5.797 158 HG22 ILE 23 2HG2 ILE 23 -7.365 10.037 -6.516 159 HG23 ILE 23 3HG2 ILE 23 -6.218 8.913 -7.185 160 HD11 ILE 23 1HD1 ILE 23 -6.107 11.771 -2.415 161 HD12 ILE 23 2HD1 ILE 23 -5.092 10.326 -2.482 162 HD13 ILE 23 3HD1 ILE 23 -4.668 11.779 -3.444 163 H LEU 24 H LEU 24 -5.904 6.688 -5.556 164 HA LEU 24 HA LEU 24 -3.759 5.764 -7.383 165 HB2 LEU 24 2HB LEU 24 -6.204 4.318 -6.260 166 HB3 LEU 24 3HB LEU 24 -4.840 3.563 -7.098 167 HG LEU 24 HG LEU 24 -4.592 5.031 -4.439 168 HD11 LEU 24 1HD1 LEU 24 -5.908 3.024 -4.239 169 HD12 LEU 24 2HD1 LEU 24 -4.647 2.109 -5.066 170 HD13 LEU 24 3HD1 LEU 24 -4.309 2.864 -3.460 171 HD21 LEU 24 1HD2 LEU 24 -2.563 5.149 -5.585 172 HD22 LEU 24 2HD2 LEU 24 -2.390 3.770 -4.455 173 HD23 LEU 24 3HD2 LEU 24 -2.692 3.476 -6.181 174 H GLU 25 H GLU 25 -5.676 4.059 -8.813 175 HA GLU 25 HA GLU 25 -7.827 5.718 -9.670 176 HB2 GLU 25 2HB GLU 25 -7.375 5.798 -12.042 177 HB3 GLU 25 3HB GLU 25 -6.069 6.603 -11.163 178 HG2 GLU 25 2HG GLU 25 -4.559 4.778 -11.521 179 HG3 GLU 25 3HG GLU 25 -5.850 3.724 -12.128 180 H GLU 26 H GLU 26 -9.057 4.451 -11.533 181 HA GLU 26 HA GLU 26 -9.689 1.833 -10.619 182 HB2 GLU 26 2HB GLU 26 -11.280 3.343 -11.732 183 HB3 GLU 26 3HB GLU 26 -10.314 3.331 -13.201 184 HG2 GLU 26 2HG GLU 26 -12.237 1.915 -13.507 185 HG3 GLU 26 3HG GLU 26 -10.804 0.898 -13.502 186 H GLY 27 H GLY 27 -7.817 0.584 -10.596 187 HA2 GLY 27 2HA GLY 27 -7.115 -1.435 -11.689 188 HA3 GLY 27 3HA GLY 27 -7.244 -0.632 -13.255 189 H GLU 28 H GLU 28 -5.523 0.931 -10.522 190 HA GLU 28 HA GLU 28 -3.185 1.142 -12.168 191 HB2 GLU 28 2HB GLU 28 -4.162 2.811 -10.497 192 HB3 GLU 28 3HB GLU 28 -3.485 1.801 -9.220 193 HG2 GLU 28 2HG GLU 28 -1.204 2.148 -10.183 194 HG3 GLU 28 3HG GLU 28 -1.909 3.113 -11.490 195 H ASP 29 H ASP 29 -1.016 0.578 -11.454 196 HA ASP 29 HA ASP 29 -0.670 -2.108 -10.487 197 HB2 ASP 29 2HB ASP 29 1.423 0.066 -10.813 198 HB3 ASP 29 3HB ASP 29 1.698 -1.651 -10.629 199 H VAL 30 H VAL 30 -1.405 -2.357 -8.466 200 HA VAL 30 HA VAL 30 0.037 -1.076 -6.232 201 HB VAL 30 HB VAL 30 -2.075 -0.985 -4.989 202 HG11 VAL 30 1HG1 VAL 30 -2.716 0.344 -7.618 203 HG12 VAL 30 2HG1 VAL 30 -2.939 0.941 -5.965 204 HG13 VAL 30 3HG1 VAL 30 -1.328 0.893 -6.683 205 HG21 VAL 30 1HG2 VAL 30 -3.354 -2.033 -7.553 206 HG22 VAL 30 2HG2 VAL 30 -3.342 -2.824 -5.960 207 HG23 VAL 30 3HG2 VAL 30 -4.240 -1.316 -6.222 208 H ARG 31 H ARG 31 -0.325 -2.566 -4.204 209 HA ARG 31 HA ARG 31 -0.696 -5.385 -4.955 210 HB2 ARG 31 2HB ARG 31 1.752 -4.135 -3.701 211 HB3 ARG 31 3HB ARG 31 1.261 -5.704 -3.109 212 HG2 ARG 31 2HG ARG 31 1.295 -5.589 -6.055 213 HG3 ARG 31 3HG ARG 31 2.859 -5.217 -5.354 214 HD2 ARG 31 2HD ARG 31 1.388 -7.665 -4.354 215 HD3 ARG 31 3HD ARG 31 2.139 -7.704 -5.957 216 HE ARG 31 HE ARG 31 4.042 -6.691 -4.150 217 HH11 ARG 31 1HH1 ARG 31 5.751 -9.717 -3.659 218 HH12 ARG 31 2HH1 ARG 31 5.877 -7.994 -3.593 219 HH21 ARG 31 1HH2 ARG 31 3.788 -10.779 -4.386 220 HH22 ARG 31 2HH2 ARG 31 2.447 -9.799 -4.847 221 H ARG 32 H ARG 32 -2.202 -6.203 -3.582 222 HA ARG 32 HA ARG 32 -3.072 -4.569 -1.263 223 HB2 ARG 32 2HB ARG 32 -4.602 -5.656 -3.075 224 HB3 ARG 32 3HB ARG 32 -4.265 -7.189 -2.275 225 HG2 ARG 32 2HG ARG 32 -5.490 -4.701 -0.986 226 HG3 ARG 32 3HG ARG 32 -6.367 -6.115 -1.558 227 HD2 ARG 32 2HD ARG 32 -4.618 -7.326 0.200 228 HD3 ARG 32 3HD ARG 32 -4.723 -5.753 0.915 229 HE ARG 32 HE ARG 32 -6.906 -6.019 1.453 230 HH11 ARG 32 1HH1 ARG 32 -9.148 -8.682 0.839 231 HH12 ARG 32 2HH1 ARG 32 -8.878 -7.221 1.720 232 HH21 ARG 32 1HH2 ARG 32 -7.447 -9.496 -0.627 233 HH22 ARG 32 2HH2 ARG 32 -5.967 -8.607 -0.738 234 H LEU 33 H LEU 33 -2.027 -4.889 0.507 235 HA LEU 33 HA LEU 33 -0.280 -7.206 0.885 236 HB2 LEU 33 2HB LEU 33 -0.032 -6.038 3.232 237 HB3 LEU 33 3HB LEU 33 0.757 -5.349 1.815 238 HG LEU 33 HG LEU 33 -2.027 -4.434 2.450 239 HD11 LEU 33 1HD1 LEU 33 0.380 -4.022 4.205 240 HD12 LEU 33 2HD1 LEU 33 -0.566 -2.586 3.848 241 HD13 LEU 33 3HD1 LEU 33 -1.357 -3.971 4.598 242 HD21 LEU 33 1HD2 LEU 33 -0.611 -3.560 0.453 243 HD22 LEU 33 2HD2 LEU 33 -1.165 -2.306 1.571 244 HD23 LEU 33 3HD2 LEU 33 0.504 -2.912 1.645 245 HA PRO 34 HA PRO 34 -3.137 -9.813 2.585 246 HB2 PRO 34 2HB PRO 34 -1.757 -11.345 4.403 247 HB3 PRO 34 3HB PRO 34 -1.470 -11.387 2.636 248 HG2 PRO 34 2HG PRO 34 0.082 -9.866 4.739 249 HG3 PRO 34 3HG PRO 34 0.709 -10.849 3.372 250 HD2 PRO 34 2HD PRO 34 0.473 -8.117 3.314 251 HD3 PRO 34 3HD PRO 34 0.343 -9.099 1.854 252 H CYS 35 H CYS 35 -1.684 -7.629 4.836 253 HA CYS 35 HA CYS 35 -3.236 -7.850 7.251 254 HB2 CYS 35 2HB CYS 35 -1.478 -6.320 7.236 255 HB3 CYS 35 3HB CYS 35 -1.907 -5.696 5.649 256 H MET 36 H MET 36 -3.963 -6.122 4.204 257 HA MET 36 HA MET 36 -6.471 -6.486 3.655 258 HB2 MET 36 2HB MET 36 -7.883 -4.764 4.825 259 HB3 MET 36 3HB MET 36 -7.529 -6.188 5.772 260 HG2 MET 36 2HG MET 36 -6.024 -5.017 7.183 261 HG3 MET 36 3HG MET 36 -5.817 -3.692 6.039 262 HE1 MET 36 1HE MET 36 -7.418 -2.294 9.406 263 HE2 MET 36 2HE MET 36 -6.591 -3.869 9.361 264 HE3 MET 36 3HE MET 36 -5.915 -2.490 8.475 265 H HIS 37 H HIS 37 -4.221 -3.912 4.468 266 HA HIS 37 HA HIS 37 -5.545 -1.887 2.949 267 HB2 HIS 37 1HB HIS 37 -2.703 -2.119 4.010 268 HB3 HIS 37 2HB HIS 37 -3.307 -0.692 3.180 269 HD2 HIS 37 2HD HIS 37 -5.599 0.454 4.275 270 HE1 HIS 37 1HE HIS 37 -4.530 -0.568 8.261 271 HE2 HIS 37 2HE HIS 37 -6.027 0.911 6.815 272 H LEU 38 H LEU 38 -4.279 -0.582 1.140 273 HA LEU 38 HA LEU 38 -3.193 -2.465 -0.874 274 HB2 LEU 38 2HB LEU 38 -5.613 -2.330 -1.171 275 HB3 LEU 38 3HB LEU 38 -5.573 -0.577 -1.136 276 HG LEU 38 HG LEU 38 -3.782 -1.793 -3.184 277 HD11 LEU 38 1HD1 LEU 38 -5.681 -2.338 -4.712 278 HD12 LEU 38 2HD1 LEU 38 -5.606 -3.423 -3.315 279 HD13 LEU 38 3HD1 LEU 38 -6.810 -2.111 -3.368 280 HD21 LEU 38 1HD2 LEU 38 -5.998 0.316 -3.229 281 HD22 LEU 38 2HD2 LEU 38 -4.256 0.623 -3.043 282 HD23 LEU 38 3HD2 LEU 38 -4.902 -0.034 -4.559 283 H PHE 39 H PHE 39 -1.311 -1.623 -1.587 284 HA PHE 39 HA PHE 39 -0.799 1.298 -1.192 285 HB2 PHE 39 2HB PHE 39 0.901 -1.176 -0.709 286 HB3 PHE 39 3HB PHE 39 1.589 0.426 -0.782 287 HD1 PHE 39 1HD PHE 39 2.455 -0.786 1.435 288 HD2 PHE 39 2HD PHE 39 -1.481 0.888 1.003 289 HE1 PHE 39 1HE PHE 39 2.216 -0.737 3.876 290 HE2 PHE 39 2HE PHE 39 -1.737 0.889 3.440 291 HZ PHE 39 HZ PHE 39 0.105 0.097 4.905 292 H HIS 40 H HIS 40 0.581 2.219 -2.863 293 HA HIS 40 HA HIS 40 0.374 1.183 -5.531 294 HB2 HIS 40 1HB HIS 40 2.268 3.077 -4.100 295 HB3 HIS 40 2HB HIS 40 2.628 2.593 -5.743 296 HD2 HIS 40 2HD HIS 40 0.336 2.892 -7.497 297 HE1 HIS 40 1HE HIS 40 -0.410 6.722 -5.892 298 HE2 HIS 40 2HE HIS 40 -0.847 5.165 -7.822 299 H GLN 41 H GLN 41 1.848 0.020 -6.844 300 HA GLN 41 HA GLN 41 3.472 -1.943 -5.567 301 HB2 GLN 41 2HB GLN 41 2.819 -1.078 -8.328 302 HB3 GLN 41 3HB GLN 41 4.449 -1.714 -8.181 303 HG2 GLN 41 2HG GLN 41 3.657 -3.735 -7.108 304 HG3 GLN 41 3HG GLN 41 2.007 -3.096 -7.006 305 HE21 GLN 41 1HE2 GLN 41 0.643 -4.086 -8.523 306 HE22 GLN 41 2HE2 GLN 41 1.193 -4.448 -10.160 307 H VAL 42 H VAL 42 4.169 1.398 -6.516 308 HA VAL 42 HA VAL 42 7.028 0.993 -6.067 309 HB VAL 42 HB VAL 42 5.433 3.529 -6.610 310 HG11 VAL 42 1HG1 VAL 42 8.444 3.003 -6.581 311 HG12 VAL 42 2HG1 VAL 42 7.675 4.477 -7.210 312 HG13 VAL 42 3HG1 VAL 42 7.555 4.088 -5.489 313 HG21 VAL 42 1HG2 VAL 42 5.373 1.930 -8.497 314 HG22 VAL 42 2HG2 VAL 42 6.440 3.282 -8.888 315 HG23 VAL 42 3HG2 VAL 42 7.134 1.724 -8.395 316 H CYS 43 H CYS 43 4.445 2.964 -4.341 317 HA CYS 43 HA CYS 43 6.050 3.743 -2.154 318 HB2 CYS 43 2HB CYS 43 3.128 2.948 -1.954 319 HB3 CYS 43 3HB CYS 43 4.062 4.007 -0.925 320 H VAL 44 H VAL 44 4.204 0.663 -2.554 321 HA VAL 44 HA VAL 44 4.756 -0.336 0.001 322 HB VAL 44 HB VAL 44 2.980 -1.079 -1.653 323 HG11 VAL 44 1HG1 VAL 44 3.510 -2.710 -3.261 324 HG12 VAL 44 2HG1 VAL 44 4.745 -1.447 -3.451 325 HG13 VAL 44 3HG1 VAL 44 5.162 -2.942 -2.601 326 HG21 VAL 44 1HG2 VAL 44 2.928 -3.387 -0.890 327 HG22 VAL 44 2HG2 VAL 44 4.630 -3.294 -0.387 328 HG23 VAL 44 3HG2 VAL 44 3.415 -2.337 0.453 329 H ASP 45 H ASP 45 6.819 -0.171 -2.861 330 HA ASP 45 HA ASP 45 8.451 -2.455 -2.309 331 HB2 ASP 45 2HB ASP 45 8.458 -1.231 -4.473 332 HB3 ASP 45 3HB ASP 45 9.196 0.169 -3.680 333 H GLN 46 H GLN 46 9.055 1.033 -1.685 334 HA GLN 46 HA GLN 46 11.168 0.441 0.189 335 HB2 GLN 46 2HB GLN 46 9.575 3.012 -0.208 336 HB3 GLN 46 3HB GLN 46 11.040 2.843 0.782 337 HG2 GLN 46 2HG GLN 46 12.219 1.952 -1.298 338 HG3 GLN 46 3HG GLN 46 10.810 2.470 -2.236 339 HE21 GLN 46 1HE2 GLN 46 13.636 3.444 -2.404 340 HE22 GLN 46 2HE2 GLN 46 13.520 5.164 -2.046 341 H ALA 47 H ALA 47 7.668 0.671 0.558 342 HA ALA 47 HA ALA 47 7.640 0.881 3.395 343 HB1 ALA 47 1HB ALA 47 5.680 0.922 1.804 344 HB2 ALA 47 2HB ALA 47 5.806 -0.850 1.704 345 HB3 ALA 47 3HB ALA 47 5.442 -0.080 3.261 346 H LEU 48 H LEU 48 7.654 -2.071 1.341 347 HA LEU 48 HA LEU 48 7.756 -3.969 3.358 348 HB2 LEU 48 2HB LEU 48 7.132 -4.248 0.976 349 HB3 LEU 48 3HB LEU 48 8.815 -4.102 0.488 350 HG LEU 48 HG LEU 48 7.924 -6.237 2.458 351 HD11 LEU 48 1HD1 LEU 48 7.844 -6.428 -0.578 352 HD12 LEU 48 2HD1 LEU 48 7.562 -7.765 0.562 353 HD13 LEU 48 3HD1 LEU 48 6.433 -6.405 0.501 354 HD21 LEU 48 1HD2 LEU 48 10.160 -6.134 0.371 355 HD22 LEU 48 2HD2 LEU 48 10.387 -6.018 2.127 356 HD23 LEU 48 3HD2 LEU 48 9.796 -7.521 1.417 357 H ILE 49 H ILE 49 10.517 -2.516 1.487 358 HA ILE 49 HA ILE 49 12.459 -4.076 2.878 359 HB ILE 49 HB ILE 49 14.130 -2.678 1.966 360 HG12 ILE 49 2HG1 ILE 49 13.127 -0.647 0.478 361 HG13 ILE 49 3HG1 ILE 49 12.059 -0.600 1.887 362 HG21 ILE 49 1HG2 ILE 49 11.915 -2.878 -0.097 363 HG22 ILE 49 2HG2 ILE 49 13.657 -2.842 -0.385 364 HG23 ILE 49 3HG2 ILE 49 12.931 -4.227 0.449 365 HD11 ILE 49 1HD1 ILE 49 15.086 -0.409 1.892 366 HD12 ILE 49 2HD1 ILE 49 13.920 0.878 2.275 367 HD13 ILE 49 3HD1 ILE 49 14.096 -0.512 3.363 368 H THR 50 H THR 50 10.989 -0.877 3.690 369 HA THR 50 HA THR 50 12.795 -0.394 5.820 370 HB THR 50 HB THR 50 10.038 0.650 5.096 371 HG1 THR 50 1HG THR 50 12.648 1.776 5.159 372 HG21 THR 50 1HG2 THR 50 10.640 2.531 6.754 373 HG22 THR 50 2HG2 THR 50 9.974 1.035 7.418 374 HG23 THR 50 3HG2 THR 50 11.723 1.345 7.524 375 H ASN 51 H ASN 51 9.543 -1.939 5.739 376 HA ASN 51 HA ASN 51 10.392 -3.797 7.705 377 HB2 ASN 51 2HB ASN 51 8.514 -3.374 9.335 378 HB3 ASN 51 3HB ASN 51 9.831 -2.210 9.375 379 HD21 ASN 51 1HD2 ASN 51 6.472 -2.585 7.951 380 HD22 ASN 51 2HD2 ASN 51 6.135 -0.892 8.173 381 H LYS 52 H LYS 52 9.598 -5.637 6.791 382 HA LYS 52 HA LYS 52 7.626 -5.720 4.816 383 HB2 LYS 52 2HB LYS 52 8.474 -7.919 6.761 384 HB3 LYS 52 3HB LYS 52 7.309 -8.149 5.459 385 HG2 LYS 52 2HG LYS 52 9.025 -8.688 4.152 386 HG3 LYS 52 3HG LYS 52 9.307 -6.959 4.057 387 HD2 LYS 52 2HD LYS 52 11.389 -7.910 4.480 388 HD3 LYS 52 3HD LYS 52 10.917 -7.210 6.028 389 HE2 LYS 52 2HE LYS 52 10.004 -10.021 5.625 390 HE3 LYS 52 3HE LYS 52 11.757 -9.844 5.503 391 HZ1 LYS 52 1HZ LYS 52 11.124 -10.310 7.733 392 HZ2 LYS 52 2HZ LYS 52 11.739 -8.785 7.672 393 HZ3 LYS 52 3HZ LYS 52 10.105 -9.026 7.799 394 H LYS 53 H LYS 53 6.988 -6.687 8.228 395 HA LYS 53 HA LYS 53 4.268 -6.932 7.843 396 HB2 LYS 53 2HB LYS 53 4.017 -6.627 10.321 397 HB3 LYS 53 3HB LYS 53 5.385 -7.653 9.907 398 HG2 LYS 53 2HG LYS 53 6.419 -6.356 11.470 399 HG3 LYS 53 3HG LYS 53 6.750 -5.352 10.063 400 HD2 LYS 53 2HD LYS 53 4.549 -4.088 10.708 401 HD3 LYS 53 3HD LYS 53 4.662 -4.937 12.243 402 HE2 LYS 53 2HE LYS 53 6.911 -3.272 11.020 403 HE3 LYS 53 3HE LYS 53 5.710 -2.606 12.127 404 HZ1 LYS 53 1HZ LYS 53 7.532 -4.830 12.797 405 HZ2 LYS 53 2HZ LYS 53 7.748 -3.262 13.245 406 HZ3 LYS 53 3HZ LYS 53 6.458 -4.106 13.816 407 H CYS 54 H CYS 54 2.486 -5.694 7.793 408 HA CYS 54 HA CYS 54 2.605 -3.272 6.427 409 HB2 CYS 54 2HB CYS 54 0.601 -4.670 6.587 410 HB3 CYS 54 3HB CYS 54 0.469 -4.285 8.306 411 HA PRO 55 HA PRO 55 4.135 -0.623 9.692 412 HB2 PRO 55 2HB PRO 55 3.748 1.856 8.505 413 HB3 PRO 55 3HB PRO 55 5.088 0.752 8.101 414 HG2 PRO 55 2HG PRO 55 2.449 1.098 6.663 415 HG3 PRO 55 3HG PRO 55 4.093 0.978 5.955 416 HD2 PRO 55 2HD PRO 55 2.404 -1.146 6.055 417 HD3 PRO 55 3HD PRO 55 4.166 -1.365 6.312 418 H ILE 56 H ILE 56 0.884 -0.446 8.399 419 HA ILE 56 HA ILE 56 0.011 1.118 10.780 420 HB ILE 56 HB ILE 56 -0.131 2.188 8.492 421 HG12 ILE 56 2HG1 ILE 56 -2.667 2.805 8.771 422 HG13 ILE 56 3HG1 ILE 56 -2.533 1.939 10.299 423 HG21 ILE 56 1HG2 ILE 56 -2.207 0.052 8.046 424 HG22 ILE 56 2HG2 ILE 56 -2.020 1.493 7.030 425 HG23 ILE 56 3HG2 ILE 56 -0.709 0.316 7.126 426 HD11 ILE 56 1HD1 ILE 56 -0.569 3.400 10.894 427 HD12 ILE 56 2HD1 ILE 56 -0.820 4.283 9.369 428 HD13 ILE 56 3HD1 ILE 56 -2.070 4.315 10.627 429 H CYS 57 H CYS 57 0.433 -1.916 10.304 430 HA CYS 57 HA CYS 57 -1.897 -2.668 11.908 431 HB2 CYS 57 2HB CYS 57 -1.186 -4.524 9.620 432 HB3 CYS 57 3HB CYS 57 -2.488 -4.640 10.799 433 H ARG 58 H ARG 58 -0.965 -5.462 11.783 434 HA ARG 58 HA ARG 58 1.877 -5.409 12.484 435 HB2 ARG 58 2HB ARG 58 -0.334 -5.360 14.468 436 HB3 ARG 58 3HB ARG 58 0.790 -6.680 14.746 437 HG2 ARG 58 2HG ARG 58 2.581 -5.341 15.198 438 HG3 ARG 58 3HG ARG 58 1.982 -3.956 14.279 439 HD2 ARG 58 2HD ARG 58 0.502 -3.272 15.919 440 HD3 ARG 58 3HD ARG 58 0.348 -4.872 16.637 441 HE ARG 58 HE ARG 58 2.322 -2.833 17.240 442 HH11 ARG 58 1HH1 ARG 58 3.851 -4.858 19.707 443 HH12 ARG 58 2HH1 ARG 58 3.700 -3.256 19.084 444 HH21 ARG 58 1HH2 ARG 58 2.628 -6.634 18.714 445 HH22 ARG 58 2HH2 ARG 58 1.624 -6.292 17.351 446 H VAL 59 H VAL 59 1.114 -6.580 10.289 447 HA VAL 59 HA VAL 59 1.142 -9.454 10.942 448 HB VAL 59 HB VAL 59 -0.570 -8.413 8.653 449 HG11 VAL 59 1HG1 VAL 59 0.166 -10.781 8.617 450 HG12 VAL 59 2HG1 VAL 59 -0.542 -11.027 10.232 451 HG13 VAL 59 3HG1 VAL 59 -1.583 -10.661 8.841 452 HG21 VAL 59 1HG2 VAL 59 -1.673 -7.450 10.592 453 HG22 VAL 59 2HG2 VAL 59 -2.591 -8.851 10.047 454 HG23 VAL 59 3HG2 VAL 59 -1.548 -8.993 11.478 455 H ASP 60 H ASP 60 2.549 -10.538 9.577 456 HA ASP 60 HA ASP 60 4.410 -8.905 8.092 457 HB2 ASP 60 2HB ASP 60 5.096 -10.923 9.302 458 HB3 ASP 60 3HB ASP 60 4.099 -11.909 8.214 459 H ILE 61 H ILE 61 4.777 -9.006 5.828 460 HA ILE 61 HA ILE 61 2.419 -9.833 4.222 461 HB ILE 61 HB ILE 61 2.810 -8.026 2.778 462 HG12 ILE 61 2HG1 ILE 61 5.301 -7.412 4.411 463 HG13 ILE 61 3HG1 ILE 61 5.288 -8.051 2.789 464 HG21 ILE 61 1HG2 ILE 61 1.663 -7.667 5.065 465 HG22 ILE 61 2HG2 ILE 61 3.158 -6.836 5.552 466 HG23 ILE 61 3HG2 ILE 61 2.192 -6.214 4.201 467 HD11 ILE 61 1HD1 ILE 61 4.150 -5.360 3.562 468 HD12 ILE 61 2HD1 ILE 61 5.652 -5.669 2.675 469 HD13 ILE 61 3HD1 ILE 61 4.077 -6.116 1.951 470 H GLU 62 H GLU 62 5.808 -10.285 4.720 471 HA GLU 62 HA GLU 62 6.710 -11.069 2.198 472 HB2 GLU 62 2HB GLU 62 7.777 -10.937 4.657 473 HB3 GLU 62 3HB GLU 62 7.496 -12.675 4.634 474 HG2 GLU 62 2HG GLU 62 9.004 -11.148 2.462 475 HG3 GLU 62 3HG GLU 62 9.783 -11.785 3.905 476 H ALA 63 H ALA 63 4.834 -12.907 4.596 477 HA ALA 63 HA ALA 63 3.381 -14.641 4.373 478 HB1 ALA 63 1HB ALA 63 3.200 -13.755 1.475 479 HB2 ALA 63 2HB ALA 63 1.997 -14.698 2.388 480 HB3 ALA 63 3HB ALA 63 2.332 -13.017 2.832 481 H GLN 64 H GLN 64 3.424 -15.972 1.366 482 HA GLN 64 HA GLN 64 5.435 -17.981 2.322 483 HB2 GLN 64 2HB GLN 64 3.020 -18.193 0.513 484 HB3 GLN 64 3HB GLN 64 4.329 -19.391 0.462 485 HG2 GLN 64 2HG GLN 64 4.121 -19.792 2.878 486 HG3 GLN 64 3HG GLN 64 2.819 -18.600 2.990 487 HE21 GLN 64 1HE2 GLN 64 3.136 -21.796 3.258 488 HE22 GLN 64 2HE2 GLN 64 1.682 -22.292 2.399 489 H LEU 65 H LEU 65 7.383 -17.434 1.618 490 HA LEU 65 HA LEU 65 8.286 -16.069 -0.510 491 HB2 LEU 65 2HB LEU 65 9.299 -18.426 0.994 492 HB3 LEU 65 3HB LEU 65 10.065 -18.187 -0.576 493 HG LEU 65 HG LEU 65 9.786 -15.942 1.437 494 HD11 LEU 65 1HD1 LEU 65 12.122 -17.864 1.051 495 HD12 LEU 65 2HD1 LEU 65 12.121 -16.409 2.078 496 HD13 LEU 65 3HD1 LEU 65 11.060 -17.765 2.480 497 HD21 LEU 65 1HD2 LEU 65 11.633 -16.394 -0.966 498 HD22 LEU 65 2HD2 LEU 65 10.271 -15.249 -0.894 499 HD23 LEU 65 3HD2 LEU 65 11.678 -14.989 0.130 500 HA PRO 66 HA PRO 66 7.813 -19.388 -3.811 501 HB2 PRO 66 2HB PRO 66 6.646 -21.810 -3.366 502 HB3 PRO 66 3HB PRO 66 8.364 -21.489 -2.965 503 HG2 PRO 66 2HG PRO 66 5.976 -21.414 -1.093 504 HG3 PRO 66 3HG PRO 66 7.549 -22.235 -0.848 505 HD2 PRO 66 2HD PRO 66 6.999 -19.762 0.176 506 HD3 PRO 66 3HD PRO 66 8.640 -20.212 -0.379 507 H SER 67 H SER 67 6.227 -18.925 -5.237 508 HA SER 67 HA SER 67 4.242 -18.676 -6.242 509 HB2 SER 67 2HB SER 67 3.048 -20.188 -3.892 510 HB3 SER 67 3HB SER 67 2.317 -19.934 -5.478 511 HG SER 67 HG SER 67 3.394 -21.957 -5.272 512 H GLU 68 H GLU 68 5.115 -16.432 -4.638 513 HA GLU 68 HA GLU 68 2.433 -15.180 -4.240 514 HB2 GLU 68 2HB GLU 68 3.584 -16.043 -2.119 515 HB3 GLU 68 3HB GLU 68 4.771 -14.755 -2.364 516 HG2 GLU 68 2HG GLU 68 3.344 -13.536 -1.076 517 HG3 GLU 68 3HG GLU 68 2.399 -13.349 -2.553 518 H SER 69 H SER 69 4.315 -15.085 -6.507 519 HA SER 69 HA SER 69 5.181 -12.246 -6.485 520 HB2 SER 69 2HB SER 69 7.206 -13.117 -7.730 521 HB3 SER 69 3HB SER 69 7.151 -13.604 -6.019 522 HG SER 69 HG SER 69 6.103 -15.171 -8.128 Start of MODEL 30 1 H1 MET 1 H1 MET 1 -23.177 38.549 -27.234 2 H2 MET 1 H2 MET 1 -22.307 39.851 -27.774 3 H3 MET 1 H3 MET 1 -22.141 38.359 -28.480 4 HA MET 1 HA MET 1 -20.261 38.802 -27.089 5 HB2 MET 1 2HB MET 1 -22.462 39.334 -25.101 6 HB3 MET 1 3HB MET 1 -20.933 38.663 -24.507 7 HG2 MET 1 2HG MET 1 -19.649 40.429 -25.526 8 HG3 MET 1 3HG MET 1 -21.083 41.095 -26.314 9 HE1 MET 1 1HE MET 1 -20.511 43.482 -25.501 10 HE2 MET 1 2HE MET 1 -20.125 43.898 -23.816 11 HE3 MET 1 3HE MET 1 -19.036 42.840 -24.742 12 H LYS 2 H LYS 2 -19.793 37.028 -25.037 13 HA LYS 2 HA LYS 2 -21.001 34.467 -25.829 14 HB2 LYS 2 2HB LYS 2 -18.151 35.376 -26.180 15 HB3 LYS 2 3HB LYS 2 -18.381 33.753 -25.527 16 HG2 LYS 2 2HG LYS 2 -19.432 32.937 -27.421 17 HG3 LYS 2 3HG LYS 2 -19.960 34.527 -27.977 18 HD2 LYS 2 2HD LYS 2 -18.078 34.937 -29.123 19 HD3 LYS 2 3HD LYS 2 -17.007 34.298 -27.876 20 HE2 LYS 2 2HE LYS 2 -18.696 32.390 -29.506 21 HE3 LYS 2 3HE LYS 2 -17.249 33.099 -30.234 22 HZ1 LYS 2 1HZ LYS 2 -15.933 32.209 -28.468 23 HZ2 LYS 2 2HZ LYS 2 -17.251 31.601 -27.691 24 HZ3 LYS 2 3HZ LYS 2 -16.796 30.989 -29.148 25 H GLN 3 H GLN 3 -20.153 32.805 -24.116 26 HA GLN 3 HA GLN 3 -19.700 33.972 -21.472 27 HB2 GLN 3 2HB GLN 3 -22.243 32.684 -22.460 28 HB3 GLN 3 3HB GLN 3 -21.699 32.236 -20.845 29 HG2 GLN 3 2HG GLN 3 -22.150 34.253 -19.925 30 HG3 GLN 3 3HG GLN 3 -21.589 35.156 -21.326 31 HE21 GLN 3 1HE2 GLN 3 -23.406 36.607 -21.149 32 HE22 GLN 3 2HE2 GLN 3 -24.992 36.053 -21.679 33 H ASP 4 H ASP 4 -19.521 31.984 -19.922 34 HA ASP 4 HA ASP 4 -17.777 30.042 -21.335 35 HB2 ASP 4 2HB ASP 4 -17.137 31.860 -19.327 36 HB3 ASP 4 3HB ASP 4 -17.429 30.378 -18.413 37 H GLY 5 H GLY 5 -17.536 28.141 -19.299 38 HA2 GLY 5 2HA GLY 5 -20.355 27.224 -18.867 39 HA3 GLY 5 3HA GLY 5 -19.140 26.152 -19.589 40 H GLU 6 H GLU 6 -20.106 25.026 -17.459 41 HA GLU 6 HA GLU 6 -18.118 25.412 -15.321 42 HB2 GLU 6 2HB GLU 6 -21.155 25.298 -15.049 43 HB3 GLU 6 3HB GLU 6 -20.093 24.792 -13.738 44 HG2 GLU 6 2HG GLU 6 -19.922 27.564 -14.996 45 HG3 GLU 6 3HG GLU 6 -20.977 27.178 -13.636 46 H GLU 7 H GLU 7 -17.983 23.430 -14.034 47 HA GLU 7 HA GLU 7 -19.385 21.071 -14.992 48 HB2 GLU 7 2HB GLU 7 -17.600 21.102 -16.606 49 HB3 GLU 7 3HB GLU 7 -16.369 21.219 -15.348 50 HG2 GLU 7 2HG GLU 7 -16.681 18.987 -14.668 51 HG3 GLU 7 3HG GLU 7 -18.353 18.941 -15.237 52 H GLY 8 H GLY 8 -16.335 20.940 -13.374 53 HA2 GLY 8 2HA GLY 8 -16.717 21.382 -10.726 54 HA3 GLY 8 3HA GLY 8 -17.615 19.866 -10.966 55 H THR 9 H THR 9 -15.991 18.926 -9.472 56 HA THR 9 HA THR 9 -13.799 17.724 -10.992 57 HB THR 9 HB THR 9 -12.305 17.960 -8.974 58 HG1 THR 9 1HG THR 9 -13.771 18.524 -7.413 59 HG21 THR 9 1HG2 THR 9 -11.548 20.221 -9.415 60 HG22 THR 9 2HG2 THR 9 -12.023 19.457 -10.947 61 HG23 THR 9 3HG2 THR 9 -13.094 20.647 -10.169 62 H GLU 10 H GLU 10 -12.950 15.851 -9.416 63 HA GLU 10 HA GLU 10 -15.294 14.646 -8.044 64 HB2 GLU 10 2HB GLU 10 -14.508 12.478 -8.865 65 HB3 GLU 10 3HB GLU 10 -14.951 13.543 -10.186 66 HG2 GLU 10 2HG GLU 10 -12.055 13.243 -9.280 67 HG3 GLU 10 3HG GLU 10 -12.805 12.116 -10.402 68 H GLU 11 H GLU 11 -14.236 12.561 -6.740 69 HA GLU 11 HA GLU 11 -11.798 13.317 -5.363 70 HB2 GLU 11 2HB GLU 11 -12.853 13.425 -3.172 71 HB3 GLU 11 3HB GLU 11 -13.567 14.652 -4.223 72 HG2 GLU 11 2HG GLU 11 -15.465 12.977 -4.684 73 HG3 GLU 11 3HG GLU 11 -14.792 11.991 -3.379 74 H ASP 12 H ASP 12 -11.045 11.405 -4.038 75 HA ASP 12 HA ASP 12 -12.693 9.041 -4.013 76 HB2 ASP 12 2HB ASP 12 -11.546 8.910 -6.264 77 HB3 ASP 12 3HB ASP 12 -9.994 8.947 -5.425 78 H THR 13 H THR 13 -12.065 7.869 -2.224 79 HA THR 13 HA THR 13 -9.366 8.143 -1.118 80 HB THR 13 HB THR 13 -11.855 9.042 0.345 81 HG1 THR 13 1HG THR 13 -10.295 10.416 -0.809 82 HG21 THR 13 1HG2 THR 13 -10.456 9.307 2.411 83 HG22 THR 13 2HG2 THR 13 -10.902 7.636 2.064 84 HG23 THR 13 3HG2 THR 13 -9.257 8.208 1.690 85 H GLU 14 H GLU 14 -11.322 6.063 -2.450 86 HA GLU 14 HA GLU 14 -11.448 4.003 -0.345 87 HB2 GLU 14 2HB GLU 14 -12.246 4.104 -3.288 88 HB3 GLU 14 3HB GLU 14 -12.110 2.593 -2.388 89 HG2 GLU 14 2HG GLU 14 -13.627 3.858 -0.599 90 HG3 GLU 14 3HG GLU 14 -14.052 4.882 -1.971 91 H GLU 15 H GLU 15 -9.648 4.784 -3.401 92 HA GLU 15 HA GLU 15 -7.681 2.713 -2.500 93 HB2 GLU 15 2HB GLU 15 -7.123 2.483 -4.935 94 HB3 GLU 15 3HB GLU 15 -8.603 1.737 -4.346 95 HG2 GLU 15 2HG GLU 15 -9.991 3.307 -5.419 96 HG3 GLU 15 3HG GLU 15 -8.684 4.464 -5.659 97 H LYS 16 H LYS 16 -6.151 3.821 -1.488 98 HA LYS 16 HA LYS 16 -4.728 5.818 -3.109 99 HB2 LYS 16 2HB LYS 16 -4.687 7.492 -1.441 100 HB3 LYS 16 3HB LYS 16 -6.384 7.002 -1.627 101 HG2 LYS 16 2HG LYS 16 -5.838 5.360 0.331 102 HG3 LYS 16 3HG LYS 16 -4.412 6.399 0.557 103 HD2 LYS 16 2HD LYS 16 -7.342 7.203 0.727 104 HD3 LYS 16 3HD LYS 16 -6.189 7.073 2.071 105 HE2 LYS 16 2HE LYS 16 -4.786 8.853 0.908 106 HE3 LYS 16 3HE LYS 16 -6.127 9.058 -0.235 107 HZ1 LYS 16 1HZ LYS 16 -6.219 10.652 1.559 108 HZ2 LYS 16 2HZ LYS 16 -7.542 9.680 1.593 109 HZ3 LYS 16 3HZ LYS 16 -6.318 9.454 2.681 110 H CYS 17 H CYS 17 -2.590 5.805 -2.848 111 HA CYS 17 HA CYS 17 -0.988 3.761 -1.441 112 HB2 CYS 17 2HB CYS 17 -0.390 5.036 -3.533 113 HB3 CYS 17 3HB CYS 17 -0.458 6.502 -2.622 114 H THR 18 H THR 18 -1.969 3.929 0.758 115 HA THR 18 HA THR 18 -1.991 6.423 2.089 116 HB THR 18 HB THR 18 -3.100 4.251 2.803 117 HG1 THR 18 1HG THR 18 -1.714 5.952 4.596 118 HG21 THR 18 1HG2 THR 18 -0.533 3.881 4.391 119 HG22 THR 18 2HG2 THR 18 -1.924 2.790 4.258 120 HG23 THR 18 3HG2 THR 18 -0.824 3.027 2.869 121 H ILE 19 H ILE 19 0.739 4.561 1.124 122 HA ILE 19 HA ILE 19 2.583 5.262 3.192 123 HB ILE 19 HB ILE 19 2.713 4.205 0.355 124 HG12 ILE 19 2HG1 ILE 19 3.699 2.680 2.742 125 HG13 ILE 19 3HG1 ILE 19 1.952 2.932 2.655 126 HG21 ILE 19 1HG2 ILE 19 5.020 4.693 2.264 127 HG22 ILE 19 2HG2 ILE 19 5.106 3.648 0.824 128 HG23 ILE 19 3HG2 ILE 19 4.790 5.382 0.639 129 HD11 ILE 19 1HD1 ILE 19 2.701 0.833 1.541 130 HD12 ILE 19 2HD1 ILE 19 1.806 1.949 0.480 131 HD13 ILE 19 3HD1 ILE 19 3.577 1.814 0.348 132 H CYS 20 H CYS 20 1.993 6.494 -0.179 133 HA CYS 20 HA CYS 20 3.603 8.970 0.388 134 HB2 CYS 20 2HB CYS 20 3.418 9.309 -1.984 135 HB3 CYS 20 3HB CYS 20 4.104 7.716 -1.638 136 H LEU 21 H LEU 21 0.502 7.916 0.974 137 HA LEU 21 HA LEU 21 -1.506 8.816 1.225 138 HB2 LEU 21 2HB LEU 21 0.165 11.268 1.846 139 HB3 LEU 21 3HB LEU 21 -1.560 11.130 2.205 140 HG LEU 21 HG LEU 21 0.495 9.136 3.261 141 HD11 LEU 21 1HD1 LEU 21 -0.615 11.634 4.569 142 HD12 LEU 21 2HD1 LEU 21 0.377 10.377 5.363 143 HD13 LEU 21 3HD1 LEU 21 1.066 11.338 4.042 144 HD21 LEU 21 1HD2 LEU 21 -1.814 8.310 3.270 145 HD22 LEU 21 2HD2 LEU 21 -1.307 8.677 4.918 146 HD23 LEU 21 3HD2 LEU 21 -2.381 9.805 4.057 147 H SER 22 H SER 22 -0.777 8.536 -1.380 148 HA SER 22 HA SER 22 -2.042 10.910 -2.679 149 HB2 SER 22 2HB SER 22 0.552 10.253 -3.003 150 HB3 SER 22 3HB SER 22 -0.149 9.124 -4.178 151 HG SER 22 HG SER 22 -0.288 11.946 -4.074 152 H ILE 23 H ILE 23 -3.964 10.357 -3.869 153 HA ILE 23 HA ILE 23 -5.023 7.801 -3.591 154 HB ILE 23 HB ILE 23 -5.574 10.295 -5.254 155 HG12 ILE 23 2HG1 ILE 23 -7.404 10.633 -3.750 156 HG13 ILE 23 3HG1 ILE 23 -7.169 9.042 -3.006 157 HG21 ILE 23 1HG2 ILE 23 -7.264 7.762 -5.140 158 HG22 ILE 23 2HG2 ILE 23 -7.820 9.350 -5.733 159 HG23 ILE 23 3HG2 ILE 23 -6.530 8.509 -6.564 160 HD11 ILE 23 1HD1 ILE 23 -5.179 9.794 -1.888 161 HD12 ILE 23 2HD1 ILE 23 -5.261 11.377 -2.725 162 HD13 ILE 23 3HD1 ILE 23 -6.507 10.908 -1.552 163 H LEU 24 H LEU 24 -5.444 6.340 -5.288 164 HA LEU 24 HA LEU 24 -3.236 6.035 -7.243 165 HB2 LEU 24 2HB LEU 24 -5.488 4.189 -6.308 166 HB3 LEU 24 3HB LEU 24 -4.146 3.688 -7.348 167 HG LEU 24 HG LEU 24 -3.694 4.841 -4.570 168 HD11 LEU 24 1HD1 LEU 24 -3.862 1.955 -5.404 169 HD12 LEU 24 2HD1 LEU 24 -3.324 2.568 -3.813 170 HD13 LEU 24 3HD1 LEU 24 -4.986 2.844 -4.353 171 HD21 LEU 24 1HD2 LEU 24 -1.772 5.103 -5.850 172 HD22 LEU 24 2HD2 LEU 24 -1.520 3.601 -4.912 173 HD23 LEU 24 3HD2 LEU 24 -1.967 3.507 -6.634 174 H GLU 25 H GLU 25 -4.894 4.384 -9.030 175 HA GLU 25 HA GLU 25 -7.221 5.780 -9.685 176 HB2 GLU 25 2HB GLU 25 -6.755 6.510 -11.932 177 HB3 GLU 25 3HB GLU 25 -5.597 7.279 -10.842 178 HG2 GLU 25 2HG GLU 25 -3.863 5.665 -11.509 179 HG3 GLU 25 3HG GLU 25 -5.017 4.845 -12.579 180 H GLU 26 H GLU 26 -8.272 4.673 -11.659 181 HA GLU 26 HA GLU 26 -8.231 1.921 -11.031 182 HB2 GLU 26 2HB GLU 26 -10.263 3.081 -11.681 183 HB3 GLU 26 3HB GLU 26 -9.622 3.423 -13.295 184 HG2 GLU 26 2HG GLU 26 -9.655 1.092 -13.906 185 HG3 GLU 26 3HG GLU 26 -9.893 0.584 -12.231 186 H GLY 27 H GLY 27 -6.531 0.682 -11.519 187 HA2 GLY 27 2HA GLY 27 -5.692 -0.867 -13.173 188 HA3 GLY 27 3HA GLY 27 -5.806 0.393 -14.404 189 H GLU 28 H GLU 28 -4.550 1.752 -11.515 190 HA GLU 28 HA GLU 28 -1.990 2.207 -12.570 191 HB2 GLU 28 2HB GLU 28 -3.199 3.592 -10.908 192 HB3 GLU 28 3HB GLU 28 -3.132 2.272 -9.748 193 HG2 GLU 28 2HG GLU 28 -1.595 3.957 -9.095 194 HG3 GLU 28 3HG GLU 28 -0.684 2.541 -9.563 195 H ASP 29 H ASP 29 0.058 1.596 -11.458 196 HA ASP 29 HA ASP 29 0.273 -1.274 -11.006 197 HB2 ASP 29 2HB ASP 29 2.576 -0.899 -10.603 198 HB3 ASP 29 3HB ASP 29 2.108 0.000 -12.027 199 H VAL 30 H VAL 30 -0.484 -2.149 -9.190 200 HA VAL 30 HA VAL 30 0.081 -0.846 -6.606 201 HB VAL 30 HB VAL 30 -2.199 -1.164 -5.829 202 HG11 VAL 30 1HG1 VAL 30 -3.347 0.579 -7.092 203 HG12 VAL 30 2HG1 VAL 30 -1.636 1.011 -6.880 204 HG13 VAL 30 3HG1 VAL 30 -2.230 0.402 -8.436 205 HG21 VAL 30 1HG2 VAL 30 -2.888 -2.024 -8.673 206 HG22 VAL 30 2HG2 VAL 30 -2.904 -3.074 -7.233 207 HG23 VAL 30 3HG2 VAL 30 -4.042 -1.726 -7.363 208 H ARG 31 H ARG 31 -0.897 -2.567 -4.890 209 HA ARG 31 HA ARG 31 -0.607 -5.326 -5.744 210 HB2 ARG 31 2HB ARG 31 1.248 -3.983 -3.747 211 HB3 ARG 31 3HB ARG 31 0.971 -5.724 -3.739 212 HG2 ARG 31 2HG ARG 31 1.675 -5.776 -6.167 213 HG3 ARG 31 3HG ARG 31 2.258 -4.114 -5.960 214 HD2 ARG 31 2HD ARG 31 4.091 -4.774 -4.786 215 HD3 ARG 31 3HD ARG 31 3.159 -5.925 -3.811 216 HE ARG 31 HE ARG 31 3.381 -6.970 -6.422 217 HH11 ARG 31 1HH1 ARG 31 6.082 -9.105 -5.708 218 HH12 ARG 31 2HH1 ARG 31 4.731 -8.825 -6.741 219 HH21 ARG 31 1HH2 ARG 31 6.554 -7.587 -3.940 220 HH22 ARG 31 2HH2 ARG 31 5.517 -6.229 -3.711 221 H ARG 32 H ARG 32 -0.949 -6.686 -3.699 222 HA ARG 32 HA ARG 32 -2.870 -5.416 -1.841 223 HB2 ARG 32 2HB ARG 32 -4.165 -6.841 -3.357 224 HB3 ARG 32 3HB ARG 32 -2.918 -8.091 -3.340 225 HG2 ARG 32 2HG ARG 32 -4.787 -8.855 -2.016 226 HG3 ARG 32 3HG ARG 32 -3.408 -8.588 -0.964 227 HD2 ARG 32 2HD ARG 32 -5.071 -7.568 0.248 228 HD3 ARG 32 3HD ARG 32 -4.434 -6.190 -0.628 229 HE ARG 32 HE ARG 32 -6.703 -7.704 -1.805 230 HH11 ARG 32 1HH1 ARG 32 -8.858 -4.932 -1.601 231 HH12 ARG 32 2HH1 ARG 32 -8.734 -6.589 -2.063 232 HH21 ARG 32 1HH2 ARG 32 -7.102 -3.937 -0.358 233 HH22 ARG 32 2HH2 ARG 32 -5.535 -4.654 -0.462 234 H LEU 33 H LEU 33 -2.521 -6.012 0.319 235 HA LEU 33 HA LEU 33 -0.390 -7.905 0.910 236 HB2 LEU 33 2HB LEU 33 -0.068 -6.235 2.915 237 HB3 LEU 33 3HB LEU 33 0.680 -5.847 1.380 238 HG LEU 33 HG LEU 33 -2.094 -4.779 1.878 239 HD11 LEU 33 1HD1 LEU 33 -0.935 -4.388 4.034 240 HD12 LEU 33 2HD1 LEU 33 0.449 -3.686 3.173 241 HD13 LEU 33 3HD1 LEU 33 -1.122 -2.871 3.141 242 HD21 LEU 33 1HD2 LEU 33 -1.210 -2.828 0.691 243 HD22 LEU 33 2HD2 LEU 33 0.426 -3.522 0.706 244 HD23 LEU 33 3HD2 LEU 33 -0.853 -4.264 -0.261 245 HA PRO 34 HA PRO 34 -3.287 -10.105 2.837 246 HB2 PRO 34 2HB PRO 34 -2.369 -10.782 5.398 247 HB3 PRO 34 3HB PRO 34 -1.851 -11.509 3.850 248 HG2 PRO 34 2HG PRO 34 -0.450 -9.445 5.511 249 HG3 PRO 34 3HG PRO 34 0.244 -10.728 4.474 250 HD2 PRO 34 2HD PRO 34 0.025 -8.045 3.840 251 HD3 PRO 34 3HD PRO 34 0.220 -9.306 2.621 252 H CYS 35 H CYS 35 -2.455 -7.337 4.733 253 HA CYS 35 HA CYS 35 -4.794 -7.067 6.481 254 HB2 CYS 35 2HB CYS 35 -2.477 -6.219 6.742 255 HB3 CYS 35 3HB CYS 35 -2.725 -5.164 5.369 256 H MET 36 H MET 36 -5.164 -7.396 3.285 257 HA MET 36 HA MET 36 -6.603 -6.564 1.735 258 HB2 MET 36 2HB MET 36 -8.019 -6.137 4.364 259 HB3 MET 36 3HB MET 36 -8.802 -5.653 2.855 260 HG2 MET 36 2HG MET 36 -7.529 -8.382 3.092 261 HG3 MET 36 3HG MET 36 -9.137 -8.084 3.739 262 HE1 MET 36 1HE MET 36 -8.740 -9.830 -0.120 263 HE2 MET 36 2HE MET 36 -7.224 -9.211 0.577 264 HE3 MET 36 3HE MET 36 -8.315 -10.217 1.563 265 H HIS 37 H HIS 37 -4.497 -4.672 2.734 266 HA HIS 37 HA HIS 37 -5.774 -2.085 2.064 267 HB2 HIS 37 1HB HIS 37 -3.324 -2.972 3.555 268 HB3 HIS 37 2HB HIS 37 -3.165 -1.505 2.593 269 HD2 HIS 37 2HD HIS 37 -5.894 -0.088 3.039 270 HE1 HIS 37 1HE HIS 37 -5.138 -0.255 7.215 271 HE2 HIS 37 2HE HIS 37 -6.525 0.858 5.381 272 H LEU 38 H LEU 38 -4.904 -0.819 0.229 273 HA LEU 38 HA LEU 38 -3.807 -2.584 -1.915 274 HB2 LEU 38 2HB LEU 38 -6.290 -1.837 -2.128 275 HB3 LEU 38 3HB LEU 38 -5.687 -0.202 -2.247 276 HG LEU 38 HG LEU 38 -4.130 -1.238 -4.157 277 HD11 LEU 38 1HD1 LEU 38 -6.523 -3.136 -4.128 278 HD12 LEU 38 2HD1 LEU 38 -5.250 -3.067 -5.361 279 HD13 LEU 38 3HD1 LEU 38 -4.851 -3.591 -3.714 280 HD21 LEU 38 1HD2 LEU 38 -5.796 0.503 -4.550 281 HD22 LEU 38 2HD2 LEU 38 -5.904 -0.720 -5.820 282 HD23 LEU 38 3HD2 LEU 38 -7.110 -0.689 -4.518 283 H PHE 39 H PHE 39 -1.700 -1.874 -2.274 284 HA PHE 39 HA PHE 39 -1.178 1.046 -1.835 285 HB2 PHE 39 2HB PHE 39 0.444 -1.379 -1.007 286 HB3 PHE 39 3HB PHE 39 1.086 0.250 -1.023 287 HD1 PHE 39 1HD PHE 39 -2.016 1.127 0.145 288 HD2 PHE 39 2HD PHE 39 1.337 -1.281 1.386 289 HE1 PHE 39 1HE PHE 39 -2.753 1.295 2.464 290 HE2 PHE 39 2HE PHE 39 0.660 -0.998 3.734 291 HZ PHE 39 HZ PHE 39 -1.406 0.272 4.296 292 H HIS 40 H HIS 40 0.147 2.025 -3.243 293 HA HIS 40 HA HIS 40 0.475 1.381 -5.947 294 HB2 HIS 40 1HB HIS 40 1.584 3.211 -3.929 295 HB3 HIS 40 2HB HIS 40 2.852 2.710 -5.005 296 HD2 HIS 40 2HD HIS 40 0.757 2.886 -7.721 297 HE1 HIS 40 1HE HIS 40 1.531 6.982 -6.920 298 HE2 HIS 40 2HE HIS 40 0.704 5.293 -8.667 299 H GLN 41 H GLN 41 2.206 0.336 -7.195 300 HA GLN 41 HA GLN 41 3.320 -1.877 -5.747 301 HB2 GLN 41 2HB GLN 41 2.574 -1.840 -8.151 302 HB3 GLN 41 3HB GLN 41 4.074 -0.983 -8.549 303 HG2 GLN 41 2HG GLN 41 5.447 -2.782 -7.959 304 HG3 GLN 41 3HG GLN 41 4.183 -3.589 -7.030 305 HE21 GLN 41 1HE2 GLN 41 1.990 -3.919 -8.610 306 HE22 GLN 41 2HE2 GLN 41 2.473 -4.692 -10.110 307 H VAL 42 H VAL 42 4.784 1.095 -7.174 308 HA VAL 42 HA VAL 42 7.428 0.526 -6.266 309 HB VAL 42 HB VAL 42 6.060 3.218 -6.687 310 HG11 VAL 42 1HG1 VAL 42 8.396 4.069 -7.014 311 HG12 VAL 42 2HG1 VAL 42 8.093 3.549 -5.353 312 HG13 VAL 42 3HG1 VAL 42 9.019 2.502 -6.450 313 HG21 VAL 42 1HG2 VAL 42 6.065 1.812 -8.717 314 HG22 VAL 42 2HG2 VAL 42 7.235 3.123 -8.887 315 HG23 VAL 42 3HG2 VAL 42 7.799 1.482 -8.501 316 H CYS 43 H CYS 43 4.906 2.534 -4.654 317 HA CYS 43 HA CYS 43 6.461 3.223 -2.374 318 HB2 CYS 43 2HB CYS 43 3.451 2.912 -2.531 319 HB3 CYS 43 3HB CYS 43 4.384 3.914 -1.415 320 H VAL 44 H VAL 44 4.266 0.349 -2.853 321 HA VAL 44 HA VAL 44 4.680 -0.492 -0.164 322 HB VAL 44 HB VAL 44 2.738 -1.085 -1.717 323 HG11 VAL 44 1HG1 VAL 44 2.966 -3.127 -2.964 324 HG12 VAL 44 2HG1 VAL 44 4.165 -1.973 -3.549 325 HG13 VAL 44 3HG1 VAL 44 4.664 -3.310 -2.485 326 HG21 VAL 44 1HG2 VAL 44 3.178 -2.030 0.557 327 HG22 VAL 44 2HG2 VAL 44 2.362 -3.171 -0.551 328 HG23 VAL 44 3HG2 VAL 44 4.095 -3.339 -0.197 329 H ASP 45 H ASP 45 6.543 -0.904 -3.169 330 HA ASP 45 HA ASP 45 7.990 -3.218 -2.329 331 HB2 ASP 45 2HB ASP 45 7.999 -2.162 -4.645 332 HB3 ASP 45 3HB ASP 45 9.086 -0.920 -4.006 333 H GLN 46 H GLN 46 8.725 0.274 -2.070 334 HA GLN 46 HA GLN 46 10.918 -0.073 -0.242 335 HB2 GLN 46 2HB GLN 46 9.027 2.285 -0.715 336 HB3 GLN 46 3HB GLN 46 10.481 2.392 0.280 337 HG2 GLN 46 2HG GLN 46 10.576 1.559 -2.654 338 HG3 GLN 46 3HG GLN 46 10.640 3.242 -2.123 339 HE21 GLN 46 1HE2 GLN 46 12.815 3.446 -3.059 340 HE22 GLN 46 2HE2 GLN 46 14.161 2.749 -2.164 341 H ALA 47 H ALA 47 7.425 0.103 0.334 342 HA ALA 47 HA ALA 47 7.611 0.486 3.146 343 HB1 ALA 47 1HB ALA 47 5.535 0.589 1.760 344 HB2 ALA 47 2HB ALA 47 5.578 -1.188 1.632 345 HB3 ALA 47 3HB ALA 47 5.364 -0.423 3.219 346 H LEU 48 H LEU 48 7.378 -2.565 1.265 347 HA LEU 48 HA LEU 48 7.530 -4.327 3.447 348 HB2 LEU 48 2HB LEU 48 6.662 -4.781 1.172 349 HB3 LEU 48 3HB LEU 48 8.294 -4.761 0.517 350 HG LEU 48 HG LEU 48 7.609 -6.647 2.797 351 HD11 LEU 48 1HD1 LEU 48 5.796 -6.937 1.152 352 HD12 LEU 48 2HD1 LEU 48 6.992 -7.119 -0.151 353 HD13 LEU 48 3HD1 LEU 48 6.879 -8.336 1.141 354 HD21 LEU 48 1HD2 LEU 48 9.230 -8.124 1.598 355 HD22 LEU 48 2HD2 LEU 48 9.468 -6.859 0.375 356 HD23 LEU 48 3HD2 LEU 48 9.973 -6.595 2.058 357 H ILE 49 H ILE 49 10.161 -3.167 1.219 358 HA ILE 49 HA ILE 49 12.163 -4.684 2.588 359 HB ILE 49 HB ILE 49 13.785 -3.433 1.394 360 HG12 ILE 49 2HG1 ILE 49 12.705 -1.533 -0.199 361 HG13 ILE 49 3HG1 ILE 49 11.801 -1.298 1.307 362 HG21 ILE 49 1HG2 ILE 49 12.460 -5.109 0.164 363 HG22 ILE 49 2HG2 ILE 49 11.405 -3.820 -0.441 364 HG23 ILE 49 3HG2 ILE 49 13.116 -3.834 -0.878 365 HD11 ILE 49 1HD1 ILE 49 13.800 0.094 1.333 366 HD12 ILE 49 2HD1 ILE 49 13.971 -1.172 2.556 367 HD13 ILE 49 3HD1 ILE 49 14.826 -1.319 1.007 368 H THR 50 H THR 50 10.805 -1.417 3.212 369 HA THR 50 HA THR 50 12.741 -0.693 5.148 370 HB THR 50 HB THR 50 9.916 0.144 4.497 371 HG1 THR 50 1HG THR 50 12.400 1.492 4.774 372 HG21 THR 50 1HG2 THR 50 11.366 1.019 7.017 373 HG22 THR 50 2HG2 THR 50 10.013 1.894 6.257 374 HG23 THR 50 3HG2 THR 50 9.753 0.268 6.883 375 H ASN 51 H ASN 51 9.631 -2.516 5.378 376 HA ASN 51 HA ASN 51 10.636 -4.067 7.535 377 HB2 ASN 51 2HB ASN 51 9.453 -1.586 8.336 378 HB3 ASN 51 3HB ASN 51 8.190 -2.782 8.560 379 HD21 ASN 51 1HD2 ASN 51 11.788 -2.696 9.025 380 HD22 ASN 51 2HD2 ASN 51 11.722 -3.318 10.670 381 H LYS 52 H LYS 52 9.536 -5.990 7.423 382 HA LYS 52 HA LYS 52 7.250 -6.356 5.647 383 HB2 LYS 52 2HB LYS 52 7.338 -8.645 6.503 384 HB3 LYS 52 3HB LYS 52 8.857 -8.095 5.823 385 HG2 LYS 52 2HG LYS 52 9.971 -8.592 7.698 386 HG3 LYS 52 3HG LYS 52 8.976 -7.494 8.662 387 HD2 LYS 52 2HD LYS 52 7.475 -9.161 9.297 388 HD3 LYS 52 3HD LYS 52 7.890 -10.170 7.919 389 HE2 LYS 52 2HE LYS 52 10.239 -10.355 8.981 390 HE3 LYS 52 3HE LYS 52 9.384 -9.892 10.483 391 HZ1 LYS 52 1HZ LYS 52 9.313 -12.261 10.275 392 HZ2 LYS 52 2HZ LYS 52 7.797 -11.737 9.827 393 HZ3 LYS 52 3HZ LYS 52 8.889 -12.181 8.698 394 H LYS 53 H LYS 53 6.049 -4.531 6.797 395 HA LYS 53 HA LYS 53 3.896 -5.915 8.005 396 HB2 LYS 53 2HB LYS 53 3.686 -4.402 10.005 397 HB3 LYS 53 3HB LYS 53 4.984 -5.580 10.135 398 HG2 LYS 53 2HG LYS 53 6.648 -4.000 10.080 399 HG3 LYS 53 3HG LYS 53 5.786 -2.966 8.937 400 HD2 LYS 53 2HD LYS 53 4.194 -2.366 10.847 401 HD3 LYS 53 3HD LYS 53 5.372 -3.115 11.935 402 HE2 LYS 53 2HE LYS 53 6.223 -1.081 9.855 403 HE3 LYS 53 3HE LYS 53 5.478 -0.521 11.356 404 HZ1 LYS 53 1HZ LYS 53 7.813 -2.315 11.317 405 HZ2 LYS 53 2HZ LYS 53 7.955 -0.680 11.375 406 HZ3 LYS 53 3HZ LYS 53 7.215 -1.493 12.600 407 H CYS 54 H CYS 54 2.046 -4.435 8.130 408 HA CYS 54 HA CYS 54 1.815 -2.374 6.019 409 HB2 CYS 54 2HB CYS 54 0.014 -3.817 7.134 410 HB3 CYS 54 3HB CYS 54 0.234 -2.785 8.561 411 HA PRO 55 HA PRO 55 3.845 0.761 8.515 412 HB2 PRO 55 2HB PRO 55 2.899 3.115 7.465 413 HB3 PRO 55 3HB PRO 55 4.050 2.044 6.610 414 HG2 PRO 55 2HG PRO 55 1.042 2.196 6.267 415 HG3 PRO 55 3HG PRO 55 2.304 2.157 4.999 416 HD2 PRO 55 2HD PRO 55 0.949 -0.079 5.767 417 HD3 PRO 55 3HD PRO 55 2.675 -0.153 5.301 418 H ILE 56 H ILE 56 0.319 1.150 8.059 419 HA ILE 56 HA ILE 56 -0.071 2.732 10.484 420 HB ILE 56 HB ILE 56 -1.956 1.213 8.624 421 HG12 ILE 56 2HG1 ILE 56 -1.842 4.220 8.873 422 HG13 ILE 56 3HG1 ILE 56 -0.639 3.395 7.879 423 HG21 ILE 56 1HG2 ILE 56 -3.795 2.555 9.705 424 HG22 ILE 56 2HG2 ILE 56 -3.066 1.378 10.792 425 HG23 ILE 56 3HG2 ILE 56 -2.628 3.094 10.929 426 HD11 ILE 56 1HD1 ILE 56 -2.393 2.311 6.550 427 HD12 ILE 56 2HD1 ILE 56 -3.653 3.095 7.525 428 HD13 ILE 56 3HD1 ILE 56 -2.572 4.078 6.525 429 H CYS 57 H CYS 57 -0.699 -0.595 9.419 430 HA CYS 57 HA CYS 57 -1.706 -1.520 12.057 431 HB2 CYS 57 2HB CYS 57 -1.283 -3.442 9.874 432 HB3 CYS 57 3HB CYS 57 -2.722 -3.101 10.803 433 H ARG 58 H ARG 58 -0.640 -3.875 12.601 434 HA ARG 58 HA ARG 58 2.252 -3.786 11.883 435 HB2 ARG 58 2HB ARG 58 1.735 -3.035 14.351 436 HB3 ARG 58 3HB ARG 58 1.521 -4.779 14.622 437 HG2 ARG 58 2HG ARG 58 3.838 -4.939 13.307 438 HG3 ARG 58 3HG ARG 58 3.983 -3.241 13.722 439 HD2 ARG 58 2HD ARG 58 3.321 -5.134 15.971 440 HD3 ARG 58 3HD ARG 58 4.899 -5.307 15.221 441 HE ARG 58 HE ARG 58 5.634 -3.392 16.126 442 HH11 ARG 58 1HH1 ARG 58 4.064 -0.945 18.102 443 HH12 ARG 58 2HH1 ARG 58 5.568 -1.524 17.495 444 HH21 ARG 58 1HH2 ARG 58 2.047 -2.064 17.530 445 HH22 ARG 58 2HH2 ARG 58 2.136 -3.460 16.516 446 H VAL 59 H VAL 59 -0.237 -5.240 10.988 447 HA VAL 59 HA VAL 59 0.098 -8.035 11.311 448 HB VAL 59 HB VAL 59 -1.091 -7.999 9.089 449 HG11 VAL 59 1HG1 VAL 59 -3.133 -6.948 9.889 450 HG12 VAL 59 2HG1 VAL 59 -2.336 -7.783 11.230 451 HG13 VAL 59 3HG1 VAL 59 -2.242 -6.014 11.105 452 HG21 VAL 59 1HG2 VAL 59 -0.501 -6.285 7.757 453 HG22 VAL 59 2HG2 VAL 59 -1.801 -5.413 8.627 454 HG23 VAL 59 3HG2 VAL 59 -0.113 -5.186 9.057 455 H ASP 60 H ASP 60 1.632 -9.376 10.464 456 HA ASP 60 HA ASP 60 3.913 -8.315 9.003 457 HB2 ASP 60 2HB ASP 60 3.897 -10.228 10.706 458 HB3 ASP 60 3HB ASP 60 3.111 -11.217 9.469 459 H ILE 61 H ILE 61 4.285 -8.680 6.808 460 HA ILE 61 HA ILE 61 1.985 -9.634 5.163 461 HB ILE 61 HB ILE 61 2.613 -8.048 3.486 462 HG12 ILE 61 2HG1 ILE 61 4.841 -7.202 5.401 463 HG13 ILE 61 3HG1 ILE 61 5.041 -7.978 3.817 464 HG21 ILE 61 1HG2 ILE 61 2.572 -6.418 6.018 465 HG22 ILE 61 2HG2 ILE 61 1.714 -6.123 4.469 466 HG23 ILE 61 3HG2 ILE 61 1.161 -7.399 5.565 467 HD11 ILE 61 1HD1 ILE 61 3.780 -6.088 2.809 468 HD12 ILE 61 2HD1 ILE 61 3.905 -5.240 4.379 469 HD13 ILE 61 3HD1 ILE 61 5.392 -5.675 3.498 470 H GLU 62 H GLU 62 5.246 -10.143 5.925 471 HA GLU 62 HA GLU 62 6.552 -10.946 3.642 472 HB2 GLU 62 2HB GLU 62 7.085 -10.900 6.205 473 HB3 GLU 62 3HB GLU 62 6.719 -12.613 6.159 474 HG2 GLU 62 2HG GLU 62 8.579 -12.906 4.530 475 HG3 GLU 62 3HG GLU 62 8.825 -11.145 4.504 476 H ALA 63 H ALA 63 6.137 -12.465 2.073 477 HA ALA 63 HA ALA 63 4.792 -14.959 2.746 478 HB1 ALA 63 1HB ALA 63 3.015 -14.587 1.044 479 HB2 ALA 63 2HB ALA 63 2.897 -13.395 2.355 480 HB3 ALA 63 3HB ALA 63 3.602 -12.926 0.793 481 H GLN 64 H GLN 64 4.835 -16.368 0.835 482 HA GLN 64 HA GLN 64 6.059 -17.533 -0.640 483 HB2 GLN 64 2HB GLN 64 6.318 -14.807 -1.789 484 HB3 GLN 64 3HB GLN 64 7.640 -15.894 -2.204 485 HG2 GLN 64 2HG GLN 64 6.078 -17.562 -3.049 486 HG3 GLN 64 3HG GLN 64 4.694 -16.592 -2.514 487 HE21 GLN 64 1HE2 GLN 64 6.321 -17.412 -5.303 488 HE22 GLN 64 2HE2 GLN 64 6.037 -15.915 -6.178 489 H LEU 65 H LEU 65 8.390 -18.036 -1.280 490 HA LEU 65 HA LEU 65 10.361 -17.182 0.748 491 HB2 LEU 65 2HB LEU 65 9.231 -19.951 0.360 492 HB3 LEU 65 3HB LEU 65 10.945 -19.788 0.734 493 HG LEU 65 HG LEU 65 8.891 -18.367 2.451 494 HD11 LEU 65 1HD1 LEU 65 8.185 -20.700 2.409 495 HD12 LEU 65 2HD1 LEU 65 9.845 -21.239 2.750 496 HD13 LEU 65 3HD1 LEU 65 8.933 -20.315 3.967 497 HD21 LEU 65 1HD2 LEU 65 11.322 -17.793 2.685 498 HD22 LEU 65 2HD2 LEU 65 10.667 -18.558 4.140 499 HD23 LEU 65 3HD2 LEU 65 11.670 -19.502 3.018 500 HA PRO 66 HA PRO 66 11.792 -17.337 -3.604 501 HB2 PRO 66 2HB PRO 66 13.424 -15.130 -3.544 502 HB3 PRO 66 3HB PRO 66 11.646 -15.024 -3.744 503 HG2 PRO 66 2HG PRO 66 13.256 -14.692 -1.200 504 HG3 PRO 66 3HG PRO 66 11.941 -13.645 -1.820 505 HD2 PRO 66 2HD PRO 66 11.545 -15.577 0.071 506 HD3 PRO 66 3HD PRO 66 10.290 -15.194 -1.150 507 H SER 67 H SER 67 13.747 -18.233 -4.367 508 HA SER 67 HA SER 67 15.646 -19.195 -2.327 509 HB2 SER 67 2HB SER 67 15.562 -19.479 -5.359 510 HB3 SER 67 3HB SER 67 16.717 -20.288 -4.274 511 HG SER 67 HG SER 67 14.005 -20.528 -3.658 512 H GLU 68 H GLU 68 16.272 -17.066 -1.593 513 HA GLU 68 HA GLU 68 17.770 -15.282 -3.332 514 HB2 GLU 68 2HB GLU 68 17.565 -15.600 -0.305 515 HB3 GLU 68 3HB GLU 68 18.537 -14.341 -1.097 516 HG2 GLU 68 2HG GLU 68 16.568 -13.428 -2.208 517 HG3 GLU 68 3HG GLU 68 15.558 -14.739 -1.596 518 H SER 69 H SER 69 20.183 -14.845 -2.925 519 HA SER 69 HA SER 69 21.779 -17.138 -2.104 520 HB2 SER 69 2HB SER 69 22.890 -17.133 -4.378 521 HB3 SER 69 3HB SER 69 21.231 -17.780 -4.399 522 HG SER 69 HG SER 69 21.736 -15.046 -4.842 Start of MODEL 31 1 H1 MET 1 H1 MET 1 9.004 10.769 12.415 2 H2 MET 1 H2 MET 1 8.496 10.653 13.972 3 H3 MET 1 H3 MET 1 8.305 12.054 13.110 4 HA MET 1 HA MET 1 10.148 12.049 14.772 5 HB2 MET 1 2HB MET 1 11.350 10.238 12.633 6 HB3 MET 1 3HB MET 1 12.270 11.064 13.905 7 HG2 MET 1 2HG MET 1 11.926 8.883 14.705 8 HG3 MET 1 3HG MET 1 10.871 9.948 15.626 9 HE1 MET 1 1HE MET 1 10.523 8.055 12.068 10 HE2 MET 1 2HE MET 1 11.250 6.952 13.267 11 HE3 MET 1 3HE MET 1 9.613 6.646 12.649 12 H LYS 2 H LYS 2 12.362 12.272 12.240 13 HA LYS 2 HA LYS 2 11.349 14.947 11.440 14 HB2 LYS 2 2HB LYS 2 13.605 15.854 11.691 15 HB3 LYS 2 3HB LYS 2 12.951 15.298 13.230 16 HG2 LYS 2 2HG LYS 2 14.281 13.194 13.037 17 HG3 LYS 2 3HG LYS 2 14.990 13.774 11.530 18 HD2 LYS 2 2HD LYS 2 15.210 15.150 14.240 19 HD3 LYS 2 3HD LYS 2 16.452 14.122 13.527 20 HE2 LYS 2 2HE LYS 2 15.428 16.744 12.343 21 HE3 LYS 2 3HE LYS 2 16.930 16.539 13.250 22 HZ1 LYS 2 1HZ LYS 2 17.682 15.016 11.529 23 HZ2 LYS 2 2HZ LYS 2 16.296 15.256 10.667 24 HZ3 LYS 2 3HZ LYS 2 17.347 16.498 10.905 25 H GLN 3 H GLN 3 10.974 12.590 10.052 26 HA GLN 3 HA GLN 3 12.312 13.150 7.518 27 HB2 GLN 3 2HB GLN 3 12.854 10.731 7.210 28 HB3 GLN 3 3HB GLN 3 13.853 11.508 8.437 29 HG2 GLN 3 2HG GLN 3 12.630 10.491 10.244 30 HG3 GLN 3 3HG GLN 3 11.361 9.905 9.166 31 HE21 GLN 3 1HE2 GLN 3 12.374 7.981 10.751 32 HE22 GLN 3 2HE2 GLN 3 13.478 6.978 9.819 33 H ASP 4 H ASP 4 9.732 13.727 8.441 34 HA ASP 4 HA ASP 4 8.028 11.417 7.638 35 HB2 ASP 4 2HB ASP 4 7.573 13.582 9.731 36 HB3 ASP 4 3HB ASP 4 6.432 12.309 9.294 37 H GLY 5 H GLY 5 7.268 14.864 8.257 38 HA2 GLY 5 2HA GLY 5 7.042 16.144 5.961 39 HA3 GLY 5 3HA GLY 5 5.721 14.961 5.771 40 H GLU 6 H GLU 6 4.004 16.437 6.013 41 HA GLU 6 HA GLU 6 3.535 17.309 8.811 42 HB2 GLU 6 2HB GLU 6 3.054 18.966 6.291 43 HB3 GLU 6 3HB GLU 6 2.266 19.280 7.840 44 HG2 GLU 6 2HG GLU 6 4.511 19.500 8.929 45 HG3 GLU 6 3HG GLU 6 5.282 19.281 7.352 46 H GLU 7 H GLU 7 1.773 17.487 5.674 47 HA GLU 7 HA GLU 7 0.175 15.194 6.369 48 HB2 GLU 7 2HB GLU 7 -0.827 17.330 7.522 49 HB3 GLU 7 3HB GLU 7 -1.344 17.787 5.895 50 HG2 GLU 7 2HG GLU 7 -2.490 15.535 5.719 51 HG3 GLU 7 3HG GLU 7 -1.965 15.168 7.358 52 H GLY 8 H GLY 8 -1.729 16.580 4.252 53 HA2 GLY 8 2HA GLY 8 -1.043 17.023 1.782 54 HA3 GLY 8 3HA GLY 8 -0.167 15.487 1.945 55 H THR 9 H THR 9 -3.461 16.937 2.430 56 HA THR 9 HA THR 9 -4.707 14.380 1.639 57 HB THR 9 HB THR 9 -6.281 14.959 3.600 58 HG1 THR 9 1HG THR 9 -5.089 16.115 5.274 59 HG21 THR 9 1HG2 THR 9 -3.438 14.033 4.214 60 HG22 THR 9 2HG2 THR 9 -4.860 13.773 5.238 61 HG23 THR 9 3HG2 THR 9 -4.767 13.009 3.640 62 H GLU 10 H GLU 10 -6.906 14.716 0.858 63 HA GLU 10 HA GLU 10 -7.974 17.351 0.604 64 HB2 GLU 10 2HB GLU 10 -6.011 16.875 -1.307 65 HB3 GLU 10 3HB GLU 10 -7.463 16.331 -2.155 66 HG2 GLU 10 2HG GLU 10 -8.572 18.502 -1.548 67 HG3 GLU 10 3HG GLU 10 -7.062 19.034 -0.796 68 H GLU 11 H GLU 11 -7.796 14.221 -1.191 69 HA GLU 11 HA GLU 11 -10.598 13.643 -0.450 70 HB2 GLU 11 2HB GLU 11 -10.476 14.662 -2.714 71 HB3 GLU 11 3HB GLU 11 -9.321 13.418 -3.214 72 HG2 GLU 11 2HG GLU 11 -11.012 11.671 -2.919 73 HG3 GLU 11 3HG GLU 11 -12.139 12.835 -2.204 74 H ASP 12 H ASP 12 -10.948 11.425 -0.103 75 HA ASP 12 HA ASP 12 -9.209 9.340 -0.962 76 HB2 ASP 12 2HB ASP 12 -7.853 10.313 0.987 77 HB3 ASP 12 3HB ASP 12 -9.184 9.891 2.046 78 H THR 13 H THR 13 -11.162 8.415 -1.624 79 HA THR 13 HA THR 13 -12.616 7.126 0.623 80 HB THR 13 HB THR 13 -13.593 9.355 0.140 81 HG1 THR 13 1HG THR 13 -15.178 7.025 -0.034 82 HG21 THR 13 1HG2 THR 13 -15.188 9.695 -1.613 83 HG22 THR 13 2HG2 THR 13 -13.622 9.299 -2.342 84 HG23 THR 13 3HG2 THR 13 -14.913 8.078 -2.264 85 H GLU 14 H GLU 14 -11.275 6.645 -2.284 86 HA GLU 14 HA GLU 14 -13.099 4.447 -3.090 87 HB2 GLU 14 2HB GLU 14 -11.991 6.805 -4.626 88 HB3 GLU 14 3HB GLU 14 -12.292 5.274 -5.470 89 HG2 GLU 14 2HG GLU 14 -14.601 5.311 -5.065 90 HG3 GLU 14 3HG GLU 14 -14.456 6.410 -3.704 91 H GLU 15 H GLU 15 -9.884 5.846 -4.102 92 HA GLU 15 HA GLU 15 -8.570 3.394 -3.142 93 HB2 GLU 15 2HB GLU 15 -7.625 3.100 -5.501 94 HB3 GLU 15 3HB GLU 15 -9.275 2.572 -5.208 95 HG2 GLU 15 2HG GLU 15 -10.182 4.597 -6.224 96 HG3 GLU 15 3HG GLU 15 -8.571 5.256 -6.458 97 H LYS 16 H LYS 16 -6.954 4.345 -1.886 98 HA LYS 16 HA LYS 16 -5.251 6.295 -3.271 99 HB2 LYS 16 2HB LYS 16 -7.047 7.109 -1.420 100 HB3 LYS 16 3HB LYS 16 -5.725 6.644 -0.322 101 HG2 LYS 16 2HG LYS 16 -4.195 7.976 -1.855 102 HG3 LYS 16 3HG LYS 16 -5.666 8.497 -2.711 103 HD2 LYS 16 2HD LYS 16 -6.430 9.334 -0.381 104 HD3 LYS 16 3HD LYS 16 -4.706 9.229 0.050 105 HE2 LYS 16 2HE LYS 16 -4.264 10.611 -2.065 106 HE3 LYS 16 3HE LYS 16 -6.028 10.803 -2.211 107 HZ1 LYS 16 1HZ LYS 16 -4.348 11.718 0.014 108 HZ2 LYS 16 2HZ LYS 16 -5.052 12.657 -1.123 109 HZ3 LYS 16 3HZ LYS 16 -6.031 11.839 -0.076 110 H CYS 17 H CYS 17 -3.150 6.199 -2.749 111 HA CYS 17 HA CYS 17 -2.006 3.692 -1.533 112 HB2 CYS 17 2HB CYS 17 -1.119 4.815 -3.617 113 HB3 CYS 17 3HB CYS 17 -0.771 6.233 -2.656 114 H THR 18 H THR 18 -2.212 3.739 0.719 115 HA THR 18 HA THR 18 -2.286 6.103 2.245 116 HB THR 18 HB THR 18 -2.762 3.560 2.818 117 HG1 THR 18 1HG THR 18 -2.945 4.265 4.930 118 HG21 THR 18 1HG2 THR 18 -1.191 2.633 4.404 119 HG22 THR 18 2HG2 THR 18 -0.313 2.952 2.889 120 HG23 THR 18 3HG2 THR 18 -0.134 4.049 4.276 121 H ILE 19 H ILE 19 0.533 4.527 0.797 122 HA ILE 19 HA ILE 19 2.437 5.697 2.607 123 HB ILE 19 HB ILE 19 2.558 4.176 0.002 124 HG12 ILE 19 2HG1 ILE 19 3.684 3.363 2.699 125 HG13 ILE 19 3HG1 ILE 19 1.960 3.166 2.379 126 HG21 ILE 19 1HG2 ILE 19 4.467 5.595 -0.088 127 HG22 ILE 19 2HG2 ILE 19 4.800 5.382 1.648 128 HG23 ILE 19 3HG2 ILE 19 5.059 4.039 0.515 129 HD11 ILE 19 1HD1 ILE 19 3.187 1.116 1.843 130 HD12 ILE 19 2HD1 ILE 19 2.404 1.814 0.407 131 HD13 ILE 19 3HD1 ILE 19 4.152 1.996 0.639 132 H CYS 20 H CYS 20 1.464 6.349 -0.824 133 HA CYS 20 HA CYS 20 3.164 8.806 -0.990 134 HB2 CYS 20 2HB CYS 20 0.953 7.864 -2.845 135 HB3 CYS 20 3HB CYS 20 2.173 9.108 -3.131 136 H LEU 21 H LEU 21 0.063 7.986 0.295 137 HA LEU 21 HA LEU 21 -1.875 8.997 0.635 138 HB2 LEU 21 2HB LEU 21 -0.051 11.366 1.119 139 HB3 LEU 21 3HB LEU 21 -1.743 11.295 1.617 140 HG LEU 21 HG LEU 21 0.304 9.199 2.482 141 HD11 LEU 21 1HD1 LEU 21 1.060 11.365 3.245 142 HD12 LEU 21 2HD1 LEU 21 -0.547 11.723 3.926 143 HD13 LEU 21 3HD1 LEU 21 0.448 10.403 4.601 144 HD21 LEU 21 1HD2 LEU 21 -2.429 10.002 3.589 145 HD22 LEU 21 2HD2 LEU 21 -2.066 8.505 2.700 146 HD23 LEU 21 3HD2 LEU 21 -1.341 8.775 4.279 147 H SER 22 H SER 22 -1.115 8.785 -2.102 148 HA SER 22 HA SER 22 -2.624 11.061 -3.300 149 HB2 SER 22 2HB SER 22 -0.195 9.598 -4.390 150 HB3 SER 22 3HB SER 22 -1.207 10.720 -5.329 151 HG SER 22 HG SER 22 0.728 11.602 -4.162 152 H ILE 23 H ILE 23 -4.012 10.507 -5.028 153 HA ILE 23 HA ILE 23 -5.440 8.070 -4.772 154 HB ILE 23 HB ILE 23 -5.350 10.404 -6.673 155 HG12 ILE 23 2HG1 ILE 23 -6.286 10.696 -4.340 156 HG13 ILE 23 3HG1 ILE 23 -7.347 11.163 -5.661 157 HG21 ILE 23 1HG2 ILE 23 -7.540 9.602 -7.626 158 HG22 ILE 23 2HG2 ILE 23 -6.063 8.800 -8.153 159 HG23 ILE 23 3HG2 ILE 23 -7.128 7.992 -6.984 160 HD11 ILE 23 1HD1 ILE 23 -8.663 9.121 -5.425 161 HD12 ILE 23 2HD1 ILE 23 -7.550 8.500 -4.187 162 HD13 ILE 23 3HD1 ILE 23 -8.536 9.935 -3.859 163 H LEU 24 H LEU 24 -5.680 6.438 -6.205 164 HA LEU 24 HA LEU 24 -3.363 5.749 -7.901 165 HB2 LEU 24 2HB LEU 24 -5.778 4.175 -6.893 166 HB3 LEU 24 3HB LEU 24 -4.396 3.481 -7.744 167 HG LEU 24 HG LEU 24 -4.204 4.904 -5.027 168 HD11 LEU 24 1HD1 LEU 24 -4.287 1.991 -5.765 169 HD12 LEU 24 2HD1 LEU 24 -3.935 2.665 -4.130 170 HD13 LEU 24 3HD1 LEU 24 -5.527 2.913 -4.878 171 HD21 LEU 24 1HD2 LEU 24 -2.116 5.020 -6.053 172 HD22 LEU 24 2HD2 LEU 24 -2.015 3.518 -5.072 173 HD23 LEU 24 3HD2 LEU 24 -2.269 3.419 -6.820 174 H GLU 25 H GLU 25 -4.321 4.236 -9.781 175 HA GLU 25 HA GLU 25 -6.917 5.275 -10.703 176 HB2 GLU 25 2HB GLU 25 -6.302 5.763 -12.955 177 HB3 GLU 25 3HB GLU 25 -5.251 6.694 -11.881 178 HG2 GLU 25 2HG GLU 25 -3.427 5.079 -12.237 179 HG3 GLU 25 3HG GLU 25 -4.492 4.066 -13.238 180 H GLU 26 H GLU 26 -7.785 3.993 -12.630 181 HA GLU 26 HA GLU 26 -7.873 1.319 -11.739 182 HB2 GLU 26 2HB GLU 26 -9.787 2.449 -12.769 183 HB3 GLU 26 3HB GLU 26 -8.921 2.585 -14.310 184 HG2 GLU 26 2HG GLU 26 -8.881 0.131 -14.538 185 HG3 GLU 26 3HG GLU 26 -9.572 -0.056 -12.924 186 H GLY 27 H GLY 27 -6.265 -0.104 -11.960 187 HA2 GLY 27 2HA GLY 27 -5.123 -1.720 -13.244 188 HA3 GLY 27 3HA GLY 27 -5.302 -0.712 -14.687 189 H GLU 28 H GLU 28 -4.196 1.136 -11.959 190 HA GLU 28 HA GLU 28 -1.613 1.554 -13.081 191 HB2 GLU 28 2HB GLU 28 -3.110 3.002 -11.527 192 HB3 GLU 28 3HB GLU 28 -2.463 2.038 -10.207 193 HG2 GLU 28 2HG GLU 28 -0.145 2.801 -10.933 194 HG3 GLU 28 3HG GLU 28 -0.919 3.799 -12.172 195 H ASP 29 H ASP 29 0.408 1.118 -11.866 196 HA ASP 29 HA ASP 29 0.765 -1.590 -11.054 197 HB2 ASP 29 2HB ASP 29 2.510 0.810 -10.412 198 HB3 ASP 29 3HB ASP 29 2.993 -0.886 -10.394 199 H VAL 30 H VAL 30 -0.348 -2.345 -9.266 200 HA VAL 30 HA VAL 30 -0.029 -0.898 -6.726 201 HB VAL 30 HB VAL 30 -2.365 -1.377 -6.152 202 HG11 VAL 30 1HG1 VAL 30 -3.406 0.399 -7.469 203 HG12 VAL 30 2HG1 VAL 30 -1.749 0.842 -7.018 204 HG13 VAL 30 3HG1 VAL 30 -2.114 0.300 -8.669 205 HG21 VAL 30 1HG2 VAL 30 -2.821 -3.264 -7.685 206 HG22 VAL 30 2HG2 VAL 30 -4.019 -1.970 -7.845 207 HG23 VAL 30 3HG2 VAL 30 -2.753 -2.150 -9.068 208 H ARG 31 H ARG 31 -0.928 -2.487 -4.961 209 HA ARG 31 HA ARG 31 -0.313 -5.264 -5.512 210 HB2 ARG 31 2HB ARG 31 1.484 -3.331 -4.086 211 HB3 ARG 31 3HB ARG 31 1.264 -4.867 -3.254 212 HG2 ARG 31 2HG ARG 31 2.014 -4.916 -6.175 213 HG3 ARG 31 3HG ARG 31 3.232 -4.478 -4.989 214 HD2 ARG 31 2HD ARG 31 1.564 -7.010 -4.763 215 HD3 ARG 31 3HD ARG 31 3.088 -6.958 -5.648 216 HE ARG 31 HE ARG 31 2.736 -7.103 -2.809 217 HH11 ARG 31 1HH1 ARG 31 6.101 -6.390 -2.039 218 HH12 ARG 31 2HH1 ARG 31 4.609 -7.007 -1.406 219 HH21 ARG 31 1HH2 ARG 31 6.252 -5.551 -4.217 220 HH22 ARG 31 2HH2 ARG 31 4.947 -5.820 -5.292 221 H ARG 32 H ARG 32 -0.787 -6.527 -3.421 222 HA ARG 32 HA ARG 32 -2.702 -5.083 -1.681 223 HB2 ARG 32 2HB ARG 32 -3.631 -6.602 -3.657 224 HB3 ARG 32 3HB ARG 32 -3.145 -7.941 -2.627 225 HG2 ARG 32 2HG ARG 32 -5.145 -5.733 -1.955 226 HG3 ARG 32 3HG ARG 32 -5.516 -7.390 -2.425 227 HD2 ARG 32 2HD ARG 32 -3.915 -7.846 -0.235 228 HD3 ARG 32 3HD ARG 32 -4.631 -6.302 0.196 229 HE ARG 32 HE ARG 32 -6.757 -7.253 0.280 230 HH11 ARG 32 1HH1 ARG 32 -7.577 -10.677 0.379 231 HH12 ARG 32 2HH1 ARG 32 -8.111 -9.091 0.774 232 HH21 ARG 32 1HH2 ARG 32 -5.425 -11.018 -0.543 233 HH22 ARG 32 2HH2 ARG 32 -4.421 -9.648 -0.854 234 H LEU 33 H LEU 33 -2.499 -5.736 0.492 235 HA LEU 33 HA LEU 33 -0.422 -7.750 1.112 236 HB2 LEU 33 2HB LEU 33 -0.200 -6.160 3.198 237 HB3 LEU 33 3HB LEU 33 0.685 -5.815 1.722 238 HG LEU 33 HG LEU 33 -2.038 -4.562 2.040 239 HD11 LEU 33 1HD1 LEU 33 -1.073 -4.258 4.249 240 HD12 LEU 33 2HD1 LEU 33 0.499 -3.785 3.560 241 HD13 LEU 33 3HD1 LEU 33 -0.897 -2.722 3.379 242 HD21 LEU 33 1HD2 LEU 33 -0.979 -2.689 0.919 243 HD22 LEU 33 2HD2 LEU 33 0.619 -3.453 1.058 244 HD23 LEU 33 3HD2 LEU 33 -0.619 -4.148 -0.006 245 HA PRO 34 HA PRO 34 -3.230 -10.081 3.022 246 HB2 PRO 34 2HB PRO 34 -2.106 -11.004 5.379 247 HB3 PRO 34 3HB PRO 34 -1.611 -11.520 3.739 248 HG2 PRO 34 2HG PRO 34 -0.310 -9.471 5.531 249 HG3 PRO 34 3HG PRO 34 0.458 -10.714 4.489 250 HD2 PRO 34 2HD PRO 34 0.200 -8.075 3.814 251 HD3 PRO 34 3HD PRO 34 0.251 -9.344 2.592 252 H CYS 35 H CYS 35 -2.052 -7.512 5.134 253 HA CYS 35 HA CYS 35 -4.709 -7.289 6.562 254 HB2 CYS 35 2HB CYS 35 -2.901 -6.960 8.033 255 HB3 CYS 35 3HB CYS 35 -2.057 -5.902 6.881 256 H MET 36 H MET 36 -5.029 -7.404 4.036 257 HA MET 36 HA MET 36 -6.013 -6.369 2.295 258 HB2 MET 36 2HB MET 36 -7.826 -5.987 4.706 259 HB3 MET 36 3HB MET 36 -8.323 -5.964 3.002 260 HG2 MET 36 2HG MET 36 -7.071 -8.269 2.873 261 HG3 MET 36 3HG MET 36 -7.281 -8.293 4.621 262 HE1 MET 36 1HE MET 36 -9.606 -8.500 5.833 263 HE2 MET 36 2HE MET 36 -10.149 -6.982 5.078 264 HE3 MET 36 3HE MET 36 -11.176 -8.429 5.006 265 H HIS 37 H HIS 37 -4.278 -4.787 2.235 266 HA HIS 37 HA HIS 37 -5.672 -2.203 2.048 267 HB2 HIS 37 1HB HIS 37 -3.056 -2.831 3.364 268 HB3 HIS 37 2HB HIS 37 -3.179 -1.319 2.478 269 HD2 HIS 37 2HD HIS 37 -5.290 0.357 3.301 270 HE1 HIS 37 1HE HIS 37 -4.877 -0.871 7.366 271 HE2 HIS 37 2HE HIS 37 -5.833 0.921 5.805 272 H LEU 38 H LEU 38 -4.719 -0.836 0.312 273 HA LEU 38 HA LEU 38 -3.711 -2.481 -1.951 274 HB2 LEU 38 2HB LEU 38 -6.214 -1.963 -1.847 275 HB3 LEU 38 3HB LEU 38 -5.813 -0.261 -1.964 276 HG LEU 38 HG LEU 38 -5.259 -2.428 -4.043 277 HD11 LEU 38 1HD1 LEU 38 -7.641 -1.706 -3.821 278 HD12 LEU 38 2HD1 LEU 38 -7.143 -0.014 -4.058 279 HD13 LEU 38 3HD1 LEU 38 -6.941 -1.191 -5.366 280 HD21 LEU 38 1HD2 LEU 38 -4.704 -0.407 -5.503 281 HD22 LEU 38 2HD2 LEU 38 -4.623 0.528 -3.994 282 HD23 LEU 38 3HD2 LEU 38 -3.488 -0.811 -4.284 283 H PHE 39 H PHE 39 -1.661 -1.682 -2.258 284 HA PHE 39 HA PHE 39 -1.187 1.267 -1.921 285 HB2 PHE 39 2HB PHE 39 0.597 -1.134 -1.339 286 HB3 PHE 39 3HB PHE 39 1.182 0.511 -1.350 287 HD1 PHE 39 1HD PHE 39 -1.873 1.141 0.159 288 HD2 PHE 39 2HD PHE 39 1.762 -1.023 0.919 289 HE1 PHE 39 1HE PHE 39 -2.388 1.119 2.555 290 HE2 PHE 39 2HE PHE 39 1.281 -0.986 3.345 291 HZ PHE 39 HZ PHE 39 -0.829 0.056 4.170 292 H HIS 40 H HIS 40 0.722 2.031 -3.331 293 HA HIS 40 HA HIS 40 0.513 0.975 -6.062 294 HB2 HIS 40 1HB HIS 40 2.604 2.720 -4.758 295 HB3 HIS 40 2HB HIS 40 2.706 2.198 -6.421 296 HD2 HIS 40 2HD HIS 40 0.500 2.999 -8.061 297 HE1 HIS 40 1HE HIS 40 0.355 6.739 -6.022 298 HE2 HIS 40 2HE HIS 40 -0.329 5.452 -8.158 299 H GLN 41 H GLN 41 2.261 -0.128 -7.137 300 HA GLN 41 HA GLN 41 3.513 -2.225 -5.675 301 HB2 GLN 41 2HB GLN 41 2.790 -2.046 -8.130 302 HB3 GLN 41 3HB GLN 41 4.318 -1.220 -8.436 303 HG2 GLN 41 2HG GLN 41 5.590 -3.151 -7.914 304 HG3 GLN 41 3HG GLN 41 4.284 -3.885 -6.983 305 HE21 GLN 41 1HE2 GLN 41 2.048 -4.071 -8.544 306 HE22 GLN 41 2HE2 GLN 41 2.482 -4.865 -10.046 307 H VAL 42 H VAL 42 4.958 0.710 -7.238 308 HA VAL 42 HA VAL 42 7.569 0.312 -6.269 309 HB VAL 42 HB VAL 42 6.138 2.957 -6.833 310 HG11 VAL 42 1HG1 VAL 42 8.267 3.341 -5.653 311 HG12 VAL 42 2HG1 VAL 42 9.112 2.269 -6.793 312 HG13 VAL 42 3HG1 VAL 42 8.421 3.809 -7.350 313 HG21 VAL 42 1HG2 VAL 42 6.001 1.491 -8.799 314 HG22 VAL 42 2HG2 VAL 42 7.195 2.754 -9.088 315 HG23 VAL 42 3HG2 VAL 42 7.734 1.116 -8.667 316 H CYS 43 H CYS 43 4.943 2.302 -4.778 317 HA CYS 43 HA CYS 43 6.388 3.190 -2.489 318 HB2 CYS 43 2HB CYS 43 3.445 2.465 -2.642 319 HB3 CYS 43 3HB CYS 43 4.239 3.503 -1.478 320 H VAL 44 H VAL 44 4.352 0.135 -2.852 321 HA VAL 44 HA VAL 44 4.948 -0.485 -0.153 322 HB VAL 44 HB VAL 44 2.899 -1.160 -1.437 323 HG11 VAL 44 1HG1 VAL 44 4.748 -3.417 -2.305 324 HG12 VAL 44 2HG1 VAL 44 2.982 -3.366 -2.481 325 HG13 VAL 44 3HG1 VAL 44 3.997 -2.211 -3.376 326 HG21 VAL 44 1HG2 VAL 44 4.319 -3.420 -0.001 327 HG22 VAL 44 2HG2 VAL 44 3.671 -2.007 0.837 328 HG23 VAL 44 3HG2 VAL 44 2.573 -3.078 -0.080 329 H ASP 45 H ASP 45 6.700 -1.067 -3.130 330 HA ASP 45 HA ASP 45 8.216 -3.301 -2.118 331 HB2 ASP 45 2HB ASP 45 8.666 -1.268 -4.317 332 HB3 ASP 45 3HB ASP 45 9.932 -2.392 -3.861 333 H GLN 46 H GLN 46 8.903 0.267 -2.143 334 HA GLN 46 HA GLN 46 11.150 -0.142 -0.341 335 HB2 GLN 46 2HB GLN 46 9.556 2.381 -0.986 336 HB3 GLN 46 3HB GLN 46 10.962 2.334 0.092 337 HG2 GLN 46 2HG GLN 46 12.283 1.284 -1.811 338 HG3 GLN 46 3HG GLN 46 10.930 1.688 -2.879 339 HE21 GLN 46 1HE2 GLN 46 10.185 4.182 -2.565 340 HE22 GLN 46 2HE2 GLN 46 11.556 5.286 -2.486 341 H ALA 47 H ALA 47 7.701 0.145 0.236 342 HA ALA 47 HA ALA 47 7.898 0.717 3.031 343 HB1 ALA 47 1HB ALA 47 5.852 -1.049 1.640 344 HB2 ALA 47 2HB ALA 47 5.656 -0.187 3.176 345 HB3 ALA 47 3HB ALA 47 5.806 0.733 1.658 346 H LEU 48 H LEU 48 7.561 -2.417 1.327 347 HA LEU 48 HA LEU 48 7.742 -4.103 3.529 348 HB2 LEU 48 2HB LEU 48 6.926 -4.600 1.234 349 HB3 LEU 48 3HB LEU 48 8.580 -4.640 0.637 350 HG LEU 48 HG LEU 48 7.649 -6.453 2.907 351 HD11 LEU 48 1HD1 LEU 48 7.486 -7.001 -0.087 352 HD12 LEU 48 2HD1 LEU 48 7.120 -8.160 1.211 353 HD13 LEU 48 3HD1 LEU 48 6.095 -6.734 0.997 354 HD21 LEU 48 1HD2 LEU 48 9.392 -7.983 1.933 355 HD22 LEU 48 2HD2 LEU 48 9.854 -6.696 0.802 356 HD23 LEU 48 3HD2 LEU 48 10.081 -6.490 2.553 357 H ILE 49 H ILE 49 10.415 -3.059 1.292 358 HA ILE 49 HA ILE 49 12.392 -4.520 2.747 359 HB ILE 49 HB ILE 49 14.036 -3.309 1.546 360 HG12 ILE 49 2HG1 ILE 49 12.913 -1.469 -0.128 361 HG13 ILE 49 3HG1 ILE 49 12.050 -1.183 1.398 362 HG21 ILE 49 1HG2 ILE 49 13.398 -3.771 -0.729 363 HG22 ILE 49 2HG2 ILE 49 12.753 -5.027 0.343 364 HG23 ILE 49 3HG2 ILE 49 11.681 -3.774 -0.303 365 HD11 ILE 49 1HD1 ILE 49 14.050 0.210 1.285 366 HD12 ILE 49 2HD1 ILE 49 14.218 -0.989 2.584 367 HD13 ILE 49 3HD1 ILE 49 15.064 -1.229 1.040 368 H THR 50 H THR 50 10.956 -1.298 3.342 369 HA THR 50 HA THR 50 12.980 -0.578 5.253 370 HB THR 50 HB THR 50 10.167 0.444 4.715 371 HG1 THR 50 1HG THR 50 11.610 1.041 3.203 372 HG21 THR 50 1HG2 THR 50 10.564 0.897 7.081 373 HG22 THR 50 2HG2 THR 50 12.203 1.494 6.719 374 HG23 THR 50 3HG2 THR 50 10.775 2.384 6.146 375 H ASN 51 H ASN 51 9.801 -2.249 5.411 376 HA ASN 51 HA ASN 51 10.567 -3.728 7.695 377 HB2 ASN 51 2HB ASN 51 9.377 -1.205 8.333 378 HB3 ASN 51 3HB ASN 51 8.074 -2.376 8.496 379 HD21 ASN 51 1HD2 ASN 51 11.559 -1.983 9.304 380 HD22 ASN 51 2HD2 ASN 51 11.424 -2.715 10.901 381 H LYS 52 H LYS 52 9.491 -5.663 7.399 382 HA LYS 52 HA LYS 52 7.341 -5.844 5.412 383 HB2 LYS 52 2HB LYS 52 7.451 -8.228 5.868 384 HB3 LYS 52 3HB LYS 52 8.991 -7.522 5.389 385 HG2 LYS 52 2HG LYS 52 9.868 -7.634 7.645 386 HG3 LYS 52 3HG LYS 52 8.271 -8.081 8.308 387 HD2 LYS 52 2HD LYS 52 8.255 -10.098 6.946 388 HD3 LYS 52 3HD LYS 52 9.787 -9.639 6.187 389 HE2 LYS 52 2HE LYS 52 10.312 -11.301 7.797 390 HE3 LYS 52 3HE LYS 52 10.823 -9.768 8.527 391 HZ1 LYS 52 1HZ LYS 52 8.263 -11.168 9.027 392 HZ2 LYS 52 2HZ LYS 52 9.536 -11.130 10.085 393 HZ3 LYS 52 3HZ LYS 52 8.620 -9.795 9.689 394 H LYS 53 H LYS 53 6.269 -4.121 7.242 395 HA LYS 53 HA LYS 53 4.066 -5.822 8.143 396 HB2 LYS 53 2HB LYS 53 5.297 -3.698 9.951 397 HB3 LYS 53 3HB LYS 53 3.769 -4.549 10.228 398 HG2 LYS 53 2HG LYS 53 5.075 -6.730 10.250 399 HG3 LYS 53 3HG LYS 53 6.561 -5.760 10.201 400 HD2 LYS 53 2HD LYS 53 5.643 -4.550 12.279 401 HD3 LYS 53 3HD LYS 53 4.423 -5.846 12.361 402 HE2 LYS 53 2HE LYS 53 6.296 -7.527 12.375 403 HE3 LYS 53 3HE LYS 53 7.456 -6.187 12.376 404 HZ1 LYS 53 1HZ LYS 53 7.114 -6.976 14.590 405 HZ2 LYS 53 2HZ LYS 53 6.482 -5.463 14.480 406 HZ3 LYS 53 3HZ LYS 53 5.484 -6.775 14.490 407 H CYS 54 H CYS 54 2.164 -4.883 7.753 408 HA CYS 54 HA CYS 54 1.750 -2.606 6.004 409 HB2 CYS 54 2HB CYS 54 0.248 -4.509 6.163 410 HB3 CYS 54 3HB CYS 54 0.062 -4.282 7.902 411 HA PRO 55 HA PRO 55 2.614 0.321 9.212 412 HB2 PRO 55 2HB PRO 55 1.497 2.644 8.185 413 HB3 PRO 55 3HB PRO 55 3.023 1.903 7.626 414 HG2 PRO 55 2HG PRO 55 0.267 1.620 6.402 415 HG3 PRO 55 3HG PRO 55 1.827 1.919 5.581 416 HD2 PRO 55 2HD PRO 55 0.736 -0.576 5.733 417 HD3 PRO 55 3HD PRO 55 2.508 -0.326 5.851 418 H ILE 56 H ILE 56 -0.707 1.264 8.087 419 HA ILE 56 HA ILE 56 -1.503 1.605 10.901 420 HB ILE 56 HB ILE 56 -3.081 2.113 8.349 421 HG12 ILE 56 2HG1 ILE 56 -1.059 3.537 8.394 422 HG13 ILE 56 3HG1 ILE 56 -2.545 4.453 8.550 423 HG21 ILE 56 1HG2 ILE 56 -4.592 1.939 10.239 424 HG22 ILE 56 2HG2 ILE 56 -3.543 2.939 11.253 425 HG23 ILE 56 3HG2 ILE 56 -4.403 3.652 9.867 426 HD11 ILE 56 1HD1 ILE 56 -0.722 3.725 10.886 427 HD12 ILE 56 2HD1 ILE 56 -0.771 5.288 10.051 428 HD13 ILE 56 3HD1 ILE 56 -2.182 4.745 10.963 429 H CYS 57 H CYS 57 -1.026 -0.684 11.110 430 HA CYS 57 HA CYS 57 -3.184 -2.205 11.832 431 HB2 CYS 57 2HB CYS 57 -3.061 -4.097 10.199 432 HB3 CYS 57 3HB CYS 57 -4.063 -2.705 9.804 433 H ARG 58 H ARG 58 0.155 -2.250 10.601 434 HA ARG 58 HA ARG 58 2.019 -3.223 11.376 435 HB2 ARG 58 2HB ARG 58 1.460 -1.732 13.217 436 HB3 ARG 58 3HB ARG 58 0.581 -3.018 14.047 437 HG2 ARG 58 2HG ARG 58 2.546 -4.189 14.599 438 HG3 ARG 58 3HG ARG 58 3.499 -3.417 13.319 439 HD2 ARG 58 2HD ARG 58 2.348 -1.899 15.689 440 HD3 ARG 58 3HD ARG 58 3.940 -2.686 15.730 441 HE ARG 58 HE ARG 58 3.849 -1.097 13.414 442 HH11 ARG 58 1HH1 ARG 58 5.338 1.773 14.823 443 HH12 ARG 58 2HH1 ARG 58 5.027 0.906 13.365 444 HH21 ARG 58 1HH2 ARG 58 4.595 0.884 16.902 445 HH22 ARG 58 2HH2 ARG 58 3.744 -0.620 16.904 446 H VAL 59 H VAL 59 0.292 -5.024 10.178 447 HA VAL 59 HA VAL 59 0.895 -7.554 11.664 448 HB VAL 59 HB VAL 59 -1.012 -7.088 9.337 449 HG11 VAL 59 1HG1 VAL 59 -0.173 -9.396 9.398 450 HG12 VAL 59 2HG1 VAL 59 -0.557 -9.513 11.135 451 HG13 VAL 59 3HG1 VAL 59 -1.853 -9.359 9.931 452 HG21 VAL 59 1HG2 VAL 59 -1.579 -7.433 12.316 453 HG22 VAL 59 2HG2 VAL 59 -1.924 -6.000 11.331 454 HG23 VAL 59 3HG2 VAL 59 -2.815 -7.490 11.039 455 H ASP 60 H ASP 60 2.090 -9.141 10.505 456 HA ASP 60 HA ASP 60 4.069 -7.965 8.769 457 HB2 ASP 60 2HB ASP 60 4.352 -9.825 10.523 458 HB3 ASP 60 3HB ASP 60 3.690 -10.915 9.312 459 H ILE 61 H ILE 61 4.517 -8.617 6.587 460 HA ILE 61 HA ILE 61 2.078 -9.510 5.121 461 HB ILE 61 HB ILE 61 2.597 -7.922 3.410 462 HG12 ILE 61 2HG1 ILE 61 4.894 -6.964 5.178 463 HG13 ILE 61 3HG1 ILE 61 5.086 -7.893 3.681 464 HG21 ILE 61 1HG2 ILE 61 1.809 -5.987 4.500 465 HG22 ILE 61 2HG2 ILE 61 1.271 -7.308 5.548 466 HG23 ILE 61 3HG2 ILE 61 2.721 -6.374 5.993 467 HD11 ILE 61 1HD1 ILE 61 5.373 -5.606 3.151 468 HD12 ILE 61 2HD1 ILE 61 3.810 -6.163 2.477 469 HD13 ILE 61 3HD1 ILE 61 3.850 -5.153 3.954 470 H GLU 62 H GLU 62 5.368 -10.107 5.613 471 HA GLU 62 HA GLU 62 6.216 -11.071 3.084 472 HB2 GLU 62 2HB GLU 62 7.659 -10.696 5.005 473 HB3 GLU 62 3HB GLU 62 6.935 -12.080 5.857 474 HG2 GLU 62 2HG GLU 62 7.723 -13.463 3.781 475 HG3 GLU 62 3HG GLU 62 8.677 -12.034 3.372 476 H ALA 63 H ALA 63 4.465 -12.098 2.070 477 HA ALA 63 HA ALA 63 3.355 -14.570 3.084 478 HB1 ALA 63 1HB ALA 63 3.519 -13.483 0.232 479 HB2 ALA 63 2HB ALA 63 2.477 -14.814 0.782 480 HB3 ALA 63 3HB ALA 63 2.201 -13.168 1.387 481 H GLN 64 H GLN 64 3.715 -16.671 1.953 482 HA GLN 64 HA GLN 64 6.420 -17.450 2.188 483 HB2 GLN 64 2HB GLN 64 4.345 -18.827 2.532 484 HB3 GLN 64 3HB GLN 64 4.145 -18.919 0.779 485 HG2 GLN 64 2HG GLN 64 6.306 -20.080 0.569 486 HG3 GLN 64 3HG GLN 64 6.612 -19.878 2.302 487 HE21 GLN 64 1HE2 GLN 64 4.707 -20.787 3.776 488 HE22 GLN 64 2HE2 GLN 64 4.092 -22.341 3.230 489 H LEU 65 H LEU 65 7.912 -16.569 0.863 490 HA LEU 65 HA LEU 65 7.919 -17.179 -1.953 491 HB2 LEU 65 2HB LEU 65 6.521 -14.882 -1.447 492 HB3 LEU 65 3HB LEU 65 8.150 -14.227 -1.549 493 HG LEU 65 HG LEU 65 8.372 -15.596 -3.751 494 HD11 LEU 65 1HD1 LEU 65 6.210 -15.963 -4.921 495 HD12 LEU 65 2HD1 LEU 65 6.302 -16.957 -3.458 496 HD13 LEU 65 3HD1 LEU 65 5.330 -15.479 -3.453 497 HD21 LEU 65 1HD2 LEU 65 8.254 -13.149 -3.688 498 HD22 LEU 65 2HD2 LEU 65 7.279 -13.768 -5.031 499 HD23 LEU 65 3HD2 LEU 65 6.481 -13.213 -3.540 500 HA PRO 66 HA PRO 66 12.098 -15.321 -0.820 501 HB2 PRO 66 2HB PRO 66 12.692 -14.203 1.585 502 HB3 PRO 66 3HB PRO 66 11.850 -13.273 0.304 503 HG2 PRO 66 2HG PRO 66 10.602 -14.755 2.642 504 HG3 PRO 66 3HG PRO 66 10.336 -13.052 2.143 505 HD2 PRO 66 2HD PRO 66 8.668 -15.042 1.402 506 HD3 PRO 66 3HD PRO 66 9.050 -13.699 0.292 507 H SER 67 H SER 67 13.945 -16.179 0.459 508 HA SER 67 HA SER 67 13.420 -18.078 2.592 509 HB2 SER 67 2HB SER 67 12.766 -19.381 0.538 510 HB3 SER 67 3HB SER 67 14.433 -19.208 -0.044 511 HG SER 67 HG SER 67 14.989 -20.173 2.102 512 H GLU 68 H GLU 68 15.667 -16.111 0.708 513 HA GLU 68 HA GLU 68 17.770 -16.644 2.600 514 HB2 GLU 68 2HB GLU 68 17.784 -17.657 -0.207 515 HB3 GLU 68 3HB GLU 68 19.142 -16.601 0.142 516 HG2 GLU 68 2HG GLU 68 18.394 -19.041 1.807 517 HG3 GLU 68 3HG GLU 68 19.627 -19.004 0.544 518 H SER 69 H SER 69 19.341 -14.906 2.396 519 HA SER 69 HA SER 69 19.735 -12.668 2.538 520 HB2 SER 69 2HB SER 69 18.216 -12.401 -0.077 521 HB3 SER 69 3HB SER 69 19.348 -11.231 0.622 522 HG SER 69 HG SER 69 20.045 -13.916 0.073
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