NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21259 | 2hep | 7225 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 4.185 -2.677 -15.979 2 2H MET 1 2HT MET 1 4.412 -3.448 -14.483 3 3H MET 1 3HT MET 1 2.892 -2.807 -14.889 4 HA MET 1 HA MET 1 2.517 -4.432 -16.537 5 1HB MET 1 2HB MET 1 4.442 -6.226 -16.737 6 2HB MET 1 1HB MET 1 4.530 -4.731 -17.666 7 1HG MET 1 2HG MET 1 6.119 -3.774 -16.204 8 2HG MET 1 1HG MET 1 5.748 -4.916 -14.912 9 1HE MET 1 1HE MET 1 6.599 -5.984 -18.907 10 2HE MET 1 2HE MET 1 8.212 -5.323 -18.655 11 3HE MET 1 3HE MET 1 6.799 -4.319 -18.344 12 H ILE 2 H ILE 2 3.731 -4.370 -13.368 13 HA ILE 2 HA ILE 2 3.206 -7.093 -12.635 14 HB ILE 2 HB ILE 2 3.430 -4.624 -10.892 15 1HG1 ILE 2 2HG1 ILE 2 5.460 -4.977 -12.225 16 2HG1 ILE 2 1HG1 ILE 2 5.763 -5.417 -10.545 17 1HG2 ILE 2 1HG2 ILE 2 2.394 -6.362 -9.624 18 2HG2 ILE 2 2HG2 ILE 2 4.101 -6.405 -9.186 19 3HG2 ILE 2 3HG2 ILE 2 3.450 -7.591 -10.317 20 1HD1 ILE 2 1HD1 ILE 2 5.078 -7.825 -11.314 21 2HD1 ILE 2 2HD1 ILE 2 6.689 -7.228 -11.709 22 3HD1 ILE 2 3HD1 ILE 2 5.422 -7.215 -12.934 23 H SER 3 H SER 3 1.481 -7.905 -11.423 24 HA SER 3 HA SER 3 -0.793 -6.359 -10.669 25 1HB SER 3 2HB SER 3 -2.397 -7.180 -12.311 26 2HB SER 3 1HB SER 3 -1.099 -6.322 -13.134 27 HG SER 3 HG SER 3 -0.480 -8.929 -12.791 28 H ASN 4 H ASN 4 1.106 -8.667 -9.949 29 HA ASN 4 HA ASN 4 -0.633 -10.942 -9.617 30 1HB ASN 4 2HB ASN 4 1.262 -11.883 -8.313 31 2HB ASN 4 1HB ASN 4 1.747 -11.312 -9.906 32 1HD2 ASN 4 1HD2 ASN 4 1.977 -10.630 -6.433 33 2HD2 ASN 4 2HD2 ASN 4 3.207 -9.468 -6.573 34 H ALA 5 H ALA 5 0.202 -11.672 -6.960 35 HA ALA 5 HA ALA 5 -1.933 -10.714 -5.443 36 1HB ALA 5 1HB ALA 5 0.657 -11.721 -4.265 37 2HB ALA 5 2HB ALA 5 -0.515 -12.789 -5.037 38 3HB ALA 5 3HB ALA 5 -0.971 -11.869 -3.603 39 H LYS 6 H LYS 6 0.909 -9.082 -6.275 40 HA LYS 6 HA LYS 6 1.330 -7.539 -3.920 41 1HB LYS 6 2HB LYS 6 3.072 -7.723 -5.609 42 2HB LYS 6 1HB LYS 6 2.026 -6.970 -6.813 43 1HG LYS 6 2HG LYS 6 2.034 -4.875 -5.635 44 2HG LYS 6 1HG LYS 6 2.812 -5.599 -4.228 45 1HD LYS 6 2HD LYS 6 4.127 -5.592 -6.951 46 2HD LYS 6 1HD LYS 6 4.321 -4.255 -5.819 47 1HE LYS 6 2HE LYS 6 4.873 -6.295 -4.150 48 2HE LYS 6 1HE LYS 6 5.383 -7.034 -5.669 49 1HZ LYS 6 1HZ LYS 6 6.869 -5.339 -4.170 50 2HZ LYS 6 2HZ LYS 6 6.250 -4.311 -5.373 51 3HZ LYS 6 3HZ LYS 6 7.139 -5.693 -5.806 52 H ILE 7 H ILE 7 -0.165 -6.652 -7.045 53 HA ILE 7 HA ILE 7 -1.179 -4.165 -6.263 54 HB ILE 7 HB ILE 7 -1.937 -6.158 -8.381 55 1HG1 ILE 7 2HG1 ILE 7 -1.297 -4.217 -9.830 56 2HG1 ILE 7 1HG1 ILE 7 -0.930 -3.292 -8.375 57 1HG2 ILE 7 1HG2 ILE 7 -3.475 -3.677 -7.580 58 2HG2 ILE 7 2HG2 ILE 7 -4.099 -5.304 -7.851 59 3HG2 ILE 7 3HG2 ILE 7 -3.545 -4.335 -9.215 60 1HD1 ILE 7 1HD1 ILE 7 0.916 -4.635 -7.833 61 2HD1 ILE 7 2HD1 ILE 7 1.012 -4.549 -9.591 62 3HD1 ILE 7 3HD1 ILE 7 0.346 -5.985 -8.815 63 H ALA 8 H ALA 8 -2.693 -7.375 -6.165 64 HA ALA 8 HA ALA 8 -5.202 -6.607 -5.182 65 1HB ALA 8 1HB ALA 8 -5.320 -8.971 -4.333 66 2HB ALA 8 2HB ALA 8 -3.638 -9.168 -4.826 67 3HB ALA 8 3HB ALA 8 -4.877 -8.831 -6.035 68 H ARG 9 H ARG 9 -2.276 -7.627 -3.427 69 HA ARG 9 HA ARG 9 -3.331 -7.474 -0.827 70 1HB ARG 9 2HB ARG 9 -1.203 -8.576 -1.319 71 2HB ARG 9 1HB ARG 9 -0.488 -7.032 -1.778 72 1HG ARG 9 2HG ARG 9 0.156 -7.595 0.518 73 2HG ARG 9 1HG ARG 9 -0.896 -6.181 0.525 74 1HD ARG 9 2HD ARG 9 -2.713 -7.369 1.382 75 2HD ARG 9 1HD ARG 9 -2.103 -8.917 0.802 76 HE ARG 9 HE ARG 9 -0.413 -7.707 2.807 77 1HH1 ARG 9 1HH2 ARG 9 -3.221 -9.645 2.194 78 2HH1 ARG 9 2HH2 ARG 9 -3.155 -10.461 3.720 79 1HH2 ARG 9 1HH1 ARG 9 -0.332 -8.768 4.806 80 2HH2 ARG 9 2HH1 ARG 9 -1.523 -9.963 5.199 81 H ILE 10 H ILE 10 -1.491 -5.056 -2.688 82 HA ILE 10 HA ILE 10 -1.385 -3.021 -0.815 83 HB ILE 10 HB ILE 10 -1.633 -2.898 -3.825 84 1HG1 ILE 10 2HG1 ILE 10 0.753 -2.320 -2.055 85 2HG1 ILE 10 1HG1 ILE 10 0.398 -3.947 -2.635 86 1HG2 ILE 10 1HG2 ILE 10 -1.230 -0.708 -1.780 87 2HG2 ILE 10 2HG2 ILE 10 -2.378 -0.753 -3.118 88 3HG2 ILE 10 3HG2 ILE 10 -0.657 -0.544 -3.439 89 1HD1 ILE 10 1HD1 ILE 10 0.732 -1.531 -4.438 90 2HD1 ILE 10 2HD1 ILE 10 0.538 -3.208 -4.948 91 3HD1 ILE 10 3HD1 ILE 10 2.004 -2.707 -4.106 92 H ASN 11 H ASN 11 -3.906 -3.461 -3.320 93 HA ASN 11 HA ASN 11 -5.535 -1.331 -2.486 94 1HB ASN 11 2HB ASN 11 -6.909 -1.993 -4.159 95 2HB ASN 11 1HB ASN 11 -5.591 -3.079 -4.571 96 1HD2 ASN 11 1HD2 ASN 11 -6.230 -5.211 -4.799 97 2HD2 ASN 11 2HD2 ASN 11 -7.570 -5.922 -4.038 98 H GLU 12 H GLU 12 -5.465 -4.724 -1.490 99 HA GLU 12 HA GLU 12 -7.795 -4.719 0.083 100 1HB GLU 12 2HB GLU 12 -5.300 -6.376 0.029 101 2HB GLU 12 1HB GLU 12 -6.426 -6.562 1.373 102 1HG GLU 12 2HG GLU 12 -7.167 -6.782 -1.561 103 2HG GLU 12 1HG GLU 12 -6.915 -8.148 -0.476 104 H LEU 13 H LEU 13 -4.408 -4.451 1.193 105 HA LEU 13 HA LEU 13 -4.999 -3.790 3.852 106 1HB LEU 13 2HB LEU 13 -2.717 -4.322 2.505 107 2HB LEU 13 1HB LEU 13 -2.572 -2.572 2.659 108 HG LEU 13 HG LEU 13 -3.204 -4.389 5.000 109 1HD1 LEU 13 1HD1 LEU 13 -0.990 -4.960 4.087 110 2HD1 LEU 13 2HD1 LEU 13 -0.825 -4.111 5.624 111 3HD1 LEU 13 3HD1 LEU 13 -0.533 -3.256 4.109 112 1HD2 LEU 13 1HD2 LEU 13 -2.100 -2.234 6.098 113 2HD2 LEU 13 2HD2 LEU 13 -3.810 -2.245 5.668 114 3HD2 LEU 13 3HD2 LEU 13 -2.638 -1.470 4.603 115 H ALA 14 H ALA 14 -4.317 -1.670 1.075 116 HA ALA 14 HA ALA 14 -4.402 0.791 2.371 117 1HB ALA 14 1HB ALA 14 -3.697 0.543 0.040 118 2HB ALA 14 2HB ALA 14 -4.987 1.737 0.168 119 3HB ALA 14 3HB ALA 14 -5.343 0.115 -0.425 120 H ALA 15 H ALA 15 -7.089 -0.812 0.649 121 HA ALA 15 HA ALA 15 -9.078 1.032 1.381 122 1HB ALA 15 1HB ALA 15 -9.297 -1.903 0.678 123 2HB ALA 15 2HB ALA 15 -9.436 -0.536 -0.428 124 3HB ALA 15 3HB ALA 15 -10.669 -0.802 0.804 125 H LYS 16 H LYS 16 -7.921 -1.891 2.996 126 HA LYS 16 HA LYS 16 -9.931 -2.045 4.978 127 1HB LYS 16 2HB LYS 16 -7.303 -3.269 4.491 128 2HB LYS 16 1HB LYS 16 -7.691 -3.080 6.199 129 1HG LYS 16 2HG LYS 16 -8.573 -5.212 5.540 130 2HG LYS 16 1HG LYS 16 -9.951 -4.124 5.694 131 1HD LYS 16 2HD LYS 16 -9.463 -3.684 3.116 132 2HD LYS 16 1HD LYS 16 -8.708 -5.274 3.221 133 1HE LYS 16 2HE LYS 16 -11.547 -4.635 4.082 134 2HE LYS 16 1HE LYS 16 -11.100 -5.429 2.571 135 1HZ LYS 16 1HZ LYS 16 -11.326 -6.529 5.188 136 2HZ LYS 16 2HZ LYS 16 -9.790 -6.832 4.528 137 3HZ LYS 16 3HZ LYS 16 -11.188 -7.322 3.696 138 H ALA 17 H ALA 17 -6.566 -0.923 5.330 139 HA ALA 17 HA ALA 17 -6.881 0.283 7.837 140 1HB ALA 17 1HB ALA 17 -4.767 1.281 7.465 141 2HB ALA 17 2HB ALA 17 -4.992 1.299 5.715 142 3HB ALA 17 3HB ALA 17 -4.716 -0.228 6.553 143 H LYS 18 H LYS 18 -7.755 1.350 4.639 144 HA LYS 18 HA LYS 18 -7.989 4.144 5.300 145 1HB LYS 18 2HB LYS 18 -7.676 3.584 2.990 146 2HB LYS 18 1HB LYS 18 -9.061 2.494 3.004 147 1HG LYS 18 2HG LYS 18 -10.612 4.245 3.077 148 2HG LYS 18 1HG LYS 18 -9.437 5.390 3.725 149 1HD LYS 18 2HD LYS 18 -8.241 5.397 1.570 150 2HD LYS 18 1HD LYS 18 -9.399 4.238 0.918 151 1HE LYS 18 2HE LYS 18 -10.196 6.950 2.013 152 2HE LYS 18 1HE LYS 18 -9.873 6.647 0.305 153 1HZ LYS 18 1HZ LYS 18 -11.631 5.082 0.213 154 2HZ LYS 18 2HZ LYS 18 -12.253 6.469 0.971 155 3HZ LYS 18 3HZ LYS 18 -11.843 5.103 1.895 156 H ALA 19 H ALA 19 -10.435 1.622 4.635 157 HA ALA 19 HA ALA 19 -12.594 3.221 5.638 158 1HB ALA 19 1HB ALA 19 -13.977 1.324 5.195 159 2HB ALA 19 2HB ALA 19 -12.597 0.226 5.229 160 3HB ALA 19 3HB ALA 19 -12.777 1.376 3.904 161 H GLY 20 H GLY 20 -10.117 1.753 7.238 162 1HA GLY 20 2HA GLY 20 -11.737 0.899 9.545 163 2HA GLY 20 1HA GLY 20 -10.032 0.543 9.293 164 H VAL 21 H VAL 21 -8.516 2.390 9.409 165 HA VAL 21 HA VAL 21 -9.407 4.801 10.756 166 HB VAL 21 HB VAL 21 -7.771 4.427 12.668 167 1HG1 VAL 21 1HG1 VAL 21 -10.025 2.417 12.695 168 2HG1 VAL 21 2HG1 VAL 21 -10.336 4.153 12.734 169 3HG1 VAL 21 3HG1 VAL 21 -9.410 3.394 14.028 170 1HG2 VAL 21 1HG2 VAL 21 -7.382 1.986 13.205 171 2HG2 VAL 21 2HG2 VAL 21 -6.491 2.573 11.803 172 3HG2 VAL 21 3HG2 VAL 21 -7.945 1.602 11.578 173 H ILE 22 H ILE 22 -6.752 2.762 9.664 174 HA ILE 22 HA ILE 22 -4.843 3.227 8.501 175 HB ILE 22 HB ILE 22 -6.621 5.279 7.720 176 1HG1 ILE 22 2HG1 ILE 22 -5.551 3.718 6.198 177 2HG1 ILE 22 1HG1 ILE 22 -5.102 5.354 5.724 178 1HG2 ILE 22 1HG2 ILE 22 -5.348 6.908 9.023 179 2HG2 ILE 22 2HG2 ILE 22 -5.044 7.163 7.308 180 3HG2 ILE 22 3HG2 ILE 22 -3.839 6.348 8.302 181 1HD1 ILE 22 1HD1 ILE 22 -3.009 4.393 5.697 182 2HD1 ILE 22 2HD1 ILE 22 -3.426 3.196 6.923 183 3HD1 ILE 22 3HD1 ILE 22 -3.064 4.855 7.398 184 H THR 23 H THR 23 -2.840 3.521 9.242 185 HA THR 23 HA THR 23 -2.390 5.511 11.380 186 HB THR 23 HB THR 23 -1.091 3.924 12.648 187 HG1 THR 23 HG1 THR 23 -0.524 2.010 11.869 188 1HG2 THR 23 1HG2 THR 23 -2.821 2.339 13.293 189 2HG2 THR 23 2HG2 THR 23 -3.652 2.570 11.756 190 3HG2 THR 23 3HG2 THR 23 -3.577 3.888 12.925 191 H GLU 24 H GLU 24 -0.273 6.330 11.522 192 HA GLU 24 HA GLU 24 1.045 6.928 9.171 193 1HB GLU 24 2HB GLU 24 1.396 8.055 11.375 194 2HB GLU 24 1HB GLU 24 2.344 6.662 11.895 195 1HG GLU 24 2HG GLU 24 3.747 7.068 9.757 196 2HG GLU 24 1HG GLU 24 2.976 8.650 9.712 197 H GLU 25 H GLU 25 1.676 4.266 11.429 198 HA GLU 25 HA GLU 25 3.988 3.231 10.217 199 1HB GLU 25 2HB GLU 25 1.865 1.560 11.570 200 2HB GLU 25 1HB GLU 25 3.599 1.250 11.484 201 1HG GLU 25 2HG GLU 25 2.183 3.424 13.045 202 2HG GLU 25 1HG GLU 25 3.176 2.114 13.679 203 H GLU 26 H GLU 26 0.583 2.239 9.795 204 HA GLU 26 HA GLU 26 1.063 0.343 7.758 205 1HB GLU 26 2HB GLU 26 -1.388 1.965 8.475 206 2HB GLU 26 1HB GLU 26 -1.388 0.730 7.218 207 1HG GLU 26 2HG GLU 26 -0.697 -0.968 8.839 208 2HG GLU 26 1HG GLU 26 -0.596 0.253 10.107 209 H LYS 27 H LYS 27 -0.059 3.722 7.559 210 HA LYS 27 HA LYS 27 -0.225 3.982 4.805 211 1HB LYS 27 2HB LYS 27 -0.913 5.668 6.561 212 2HB LYS 27 1HB LYS 27 0.783 6.140 6.667 213 1HG LYS 27 2HG LYS 27 0.771 6.636 4.227 214 2HG LYS 27 1HG LYS 27 -0.947 6.235 4.176 215 1HD LYS 27 2HD LYS 27 -1.336 8.006 5.926 216 2HD LYS 27 1HD LYS 27 0.355 8.476 5.749 217 1HE LYS 27 2HE LYS 27 -1.629 8.403 3.458 218 2HE LYS 27 1HE LYS 27 -1.225 9.858 4.367 219 1HZ LYS 27 1HZ LYS 27 0.642 8.185 2.778 220 2HZ LYS 27 2HZ LYS 27 1.118 9.488 3.759 221 3HZ LYS 27 3HZ LYS 27 0.122 9.757 2.409 222 H ALA 28 H ALA 28 2.622 4.252 6.901 223 HA ALA 28 HA ALA 28 4.440 5.212 4.970 224 1HB ALA 28 1HB ALA 28 4.977 3.442 7.370 225 2HB ALA 28 2HB ALA 28 4.936 5.205 7.378 226 3HB ALA 28 3HB ALA 28 6.190 4.357 6.474 227 H GLU 29 H GLU 29 3.545 1.905 5.910 228 HA GLU 29 HA GLU 29 5.397 0.520 4.324 229 1HB GLU 29 2HB GLU 29 2.811 -0.113 5.626 230 2HB GLU 29 1HB GLU 29 3.288 -1.173 4.301 231 1HG GLU 29 2HG GLU 29 4.231 -2.136 6.274 232 2HG GLU 29 1HG GLU 29 5.567 -1.352 5.435 233 H GLN 30 H GLN 30 1.962 1.178 3.574 234 HA GLN 30 HA GLN 30 1.917 0.275 0.959 235 1HB GLN 30 2HB GLN 30 0.437 2.797 1.558 236 2HB GLN 30 1HB GLN 30 -0.115 1.332 0.751 237 1HG GLN 30 2HG GLN 30 0.109 0.178 3.035 238 2HG GLN 30 1HG GLN 30 0.250 1.798 3.708 239 1HE2 GLN 30 1HE2 GLN 30 -1.911 0.634 4.694 240 2HE2 GLN 30 2HE2 GLN 30 -3.339 1.089 3.897 241 H GLN 31 H GLN 31 3.273 3.228 2.241 242 HA GLN 31 HA GLN 31 3.457 4.779 -0.075 243 1HB GLN 31 2HB GLN 31 4.097 5.296 2.419 244 2HB GLN 31 1HB GLN 31 5.698 4.753 1.916 245 1HG GLN 31 2HG GLN 31 5.435 6.371 -0.068 246 2HG GLN 31 1HG GLN 31 4.081 7.059 0.825 247 1HE2 GLN 31 1HE2 GLN 31 6.600 8.456 0.231 248 2HE2 GLN 31 2HE2 GLN 31 7.321 8.815 1.724 249 H LYS 32 H LYS 32 6.052 2.729 1.311 250 HA LYS 32 HA LYS 32 7.786 2.955 -0.880 251 1HB LYS 32 2HB LYS 32 9.116 1.391 0.183 252 2HB LYS 32 1HB LYS 32 8.140 1.963 1.533 253 1HG LYS 32 2HG LYS 32 6.553 0.049 1.094 254 2HG LYS 32 1HG LYS 32 7.711 -0.565 -0.085 255 1HD LYS 32 2HD LYS 32 9.442 -0.664 1.687 256 2HD LYS 32 1HD LYS 32 8.253 -0.102 2.863 257 1HE LYS 32 2HE LYS 32 7.586 -2.497 1.189 258 2HE LYS 32 1HE LYS 32 8.703 -2.697 2.538 259 1HZ LYS 32 1HZ LYS 32 6.084 -1.349 2.836 260 2HZ LYS 32 2HZ LYS 32 7.101 -1.950 4.057 261 3HZ LYS 32 3HZ LYS 32 6.268 -3.022 3.036 262 H LEU 33 H LEU 33 5.223 0.606 -0.207 263 HA LEU 33 HA LEU 33 5.728 -1.197 -2.285 264 1HB LEU 33 2HB LEU 33 3.184 -0.376 -0.888 265 2HB LEU 33 1HB LEU 33 3.201 -1.614 -2.144 266 HG LEU 33 HG LEU 33 4.993 -1.704 0.299 267 1HD1 LEU 33 1HD1 LEU 33 3.389 -3.459 1.105 268 2HD1 LEU 33 2HD1 LEU 33 2.298 -3.003 -0.204 269 3HD1 LEU 33 3HD1 LEU 33 2.691 -1.840 1.063 270 1HD2 LEU 33 1HD2 LEU 33 5.954 -3.140 -1.261 271 2HD2 LEU 33 2HD2 LEU 33 4.411 -3.498 -2.036 272 3HD2 LEU 33 3HD2 LEU 33 4.810 -4.234 -0.484 273 H ARG 34 H ARG 34 3.373 1.492 -2.284 274 HA ARG 34 HA ARG 34 2.799 1.301 -5.056 275 1HB ARG 34 2HB ARG 34 2.332 3.417 -2.966 276 2HB ARG 34 1HB ARG 34 1.920 3.705 -4.657 277 1HG ARG 34 2HG ARG 34 0.968 1.268 -3.133 278 2HG ARG 34 1HG ARG 34 0.038 2.764 -3.218 279 1HD ARG 34 2HD ARG 34 0.438 2.507 -5.817 280 2HD ARG 34 1HD ARG 34 0.699 0.815 -5.403 281 HE ARG 34 HE ARG 34 -1.575 0.618 -4.964 282 1HH1 ARG 34 1HH2 ARG 34 -0.640 3.951 -5.165 283 2HH1 ARG 34 2HH2 ARG 34 -2.265 4.548 -5.135 284 1HH2 ARG 34 1HH1 ARG 34 -3.704 1.402 -4.928 285 2HH2 ARG 34 2HH1 ARG 34 -3.997 3.107 -5.002 286 H GLN 35 H GLN 35 5.028 3.345 -3.204 287 HA GLN 35 HA GLN 35 5.867 5.004 -5.317 288 1HB GLN 35 2HB GLN 35 6.396 5.576 -3.028 289 2HB GLN 35 1HB GLN 35 7.321 4.090 -2.825 290 1HG GLN 35 2HG GLN 35 8.792 6.051 -3.226 291 2HG GLN 35 1HG GLN 35 8.950 4.837 -4.493 292 1HE2 GLN 35 1HE2 GLN 35 9.430 6.160 -6.299 293 2HE2 GLN 35 2HE2 GLN 35 8.415 7.405 -6.848 294 H GLU 36 H GLU 36 7.001 1.836 -4.222 295 HA GLU 36 HA GLU 36 9.272 1.674 -5.908 296 1HB GLU 36 2HB GLU 36 9.032 0.171 -4.021 297 2HB GLU 36 1HB GLU 36 7.545 -0.496 -4.692 298 1HG GLU 36 2HG GLU 36 8.740 -1.439 -6.576 299 2HG GLU 36 1HG GLU 36 10.228 -0.626 -6.096 300 H TYR 37 H TYR 37 6.002 0.273 -6.264 301 HA TYR 37 HA TYR 37 6.316 -0.846 -8.790 302 1HB TYR 37 2HB TYR 37 4.330 -1.317 -7.513 303 2HB TYR 37 1HB TYR 37 3.866 0.385 -7.510 304 HD1 TYR 37 HD1 TYR 37 2.332 1.114 -9.115 305 HD2 TYR 37 HD2 TYR 37 4.754 -2.337 -9.948 306 HE1 TYR 37 HE1 TYR 37 1.153 0.806 -11.273 307 HE2 TYR 37 HE2 TYR 37 3.572 -2.644 -12.106 308 HH TYR 37 HH TYR 37 2.293 -1.266 -13.709 309 H LEU 38 H LEU 38 5.285 2.445 -7.922 310 HA LEU 38 HA LEU 38 4.798 3.400 -10.515 311 1HB LEU 38 2HB LEU 38 5.237 4.557 -7.849 312 2HB LEU 38 1HB LEU 38 5.757 5.605 -9.166 313 HG LEU 38 HG LEU 38 3.368 5.959 -8.517 314 1HD1 LEU 38 1HD1 LEU 38 4.425 6.083 -10.958 315 2HD1 LEU 38 2HD1 LEU 38 2.699 6.332 -10.698 316 3HD1 LEU 38 3HD1 LEU 38 3.288 4.768 -11.260 317 1HD2 LEU 38 1HD2 LEU 38 3.211 3.291 -8.200 318 2HD2 LEU 38 2HD2 LEU 38 2.607 3.402 -9.852 319 3HD2 LEU 38 3HD2 LEU 38 1.795 4.279 -8.555 320 H LYS 39 H LYS 39 7.779 3.176 -8.642 321 HA LYS 39 HA LYS 39 9.426 4.694 -10.373 322 1HB LYS 39 2HB LYS 39 9.848 3.876 -7.946 323 2HB LYS 39 1HB LYS 39 10.450 2.407 -8.714 324 1HG LYS 39 2HG LYS 39 12.047 3.743 -10.036 325 2HG LYS 39 1HG LYS 39 11.440 5.218 -9.284 326 1HD LYS 39 2HD LYS 39 13.290 4.761 -7.942 327 2HD LYS 39 1HD LYS 39 12.007 3.958 -7.038 328 1HE LYS 39 2HE LYS 39 12.613 1.878 -8.499 329 2HE LYS 39 1HE LYS 39 14.126 2.735 -8.794 330 1HZ LYS 39 1HZ LYS 39 13.772 1.139 -6.725 331 2HZ LYS 39 2HZ LYS 39 13.212 2.585 -6.031 332 3HZ LYS 39 3HZ LYS 39 14.786 2.497 -6.662 333 H GLY 40 H GLY 40 8.412 1.326 -10.419 334 1HA GLY 40 2HA GLY 40 10.260 0.756 -12.644 335 2HA GLY 40 1HA GLY 40 9.370 -0.441 -11.711 336 H PHE 41 H PHE 41 6.879 1.131 -11.880 337 HA PHE 41 HA PHE 41 4.985 0.521 -13.174 338 1HB PHE 41 2HB PHE 41 5.468 2.970 -13.199 339 2HB PHE 41 1HB PHE 41 6.314 2.753 -14.728 340 HD1 PHE 41 HD1 PHE 41 5.070 3.199 -16.651 341 HD2 PHE 41 HD2 PHE 41 3.059 1.698 -13.161 342 HE1 PHE 41 HE1 PHE 41 2.902 3.321 -17.846 343 HE2 PHE 41 HE2 PHE 41 0.893 1.819 -14.360 344 HZ PHE 41 HZ PHE 41 0.812 2.631 -16.702 345 H ARG 42 H ARG 42 6.275 1.679 -16.122 346 HA ARG 42 HA ARG 42 5.938 -0.954 -17.334 347 1HB ARG 42 2HB ARG 42 6.005 0.204 -19.448 348 2HB ARG 42 1HB ARG 42 4.965 1.123 -18.362 349 1HG ARG 42 2HG ARG 42 7.035 2.519 -17.791 350 2HG ARG 42 1HG ARG 42 7.813 1.744 -19.171 351 1HD ARG 42 2HD ARG 42 5.943 2.529 -20.620 352 2HD ARG 42 1HD ARG 42 5.263 3.380 -19.235 353 HE ARG 42 HE ARG 42 7.952 4.178 -19.572 354 1HH1 ARG 42 1HH2 ARG 42 4.841 4.411 -21.084 355 2HH1 ARG 42 2HH2 ARG 42 5.173 5.937 -21.834 356 1HH2 ARG 42 1HH1 ARG 42 8.383 6.172 -20.551 357 2HH2 ARG 42 2HH1 ARG 42 7.176 6.933 -21.532 Start of MODEL 2 1 1H MET 1 1HT MET 1 4.330 -7.456 -14.596 2 2H MET 1 2HT MET 1 5.313 -8.233 -15.743 3 3H MET 1 3HT MET 1 5.227 -6.536 -15.703 4 HA MET 1 HA MET 1 7.209 -7.884 -14.605 5 1HB MET 1 2HB MET 1 5.860 -5.320 -13.742 6 2HB MET 1 1HB MET 1 7.370 -5.859 -13.008 7 1HG MET 1 2HG MET 1 8.427 -5.941 -15.242 8 2HG MET 1 1HG MET 1 6.921 -5.387 -15.972 9 1HE MET 1 1HE MET 1 8.447 -3.668 -17.109 10 2HE MET 1 2HE MET 1 9.908 -3.978 -16.175 11 3HE MET 1 3HE MET 1 9.290 -2.335 -16.308 12 H ILE 2 H ILE 2 4.790 -6.510 -12.379 13 HA ILE 2 HA ILE 2 5.237 -8.817 -10.585 14 HB ILE 2 HB ILE 2 4.352 -5.979 -10.014 15 1HG1 ILE 2 2HG1 ILE 2 6.734 -7.541 -8.974 16 2HG1 ILE 2 1HG1 ILE 2 6.813 -6.506 -10.401 17 1HG2 ILE 2 1HG2 ILE 2 3.081 -7.381 -8.535 18 2HG2 ILE 2 2HG2 ILE 2 4.447 -6.781 -7.599 19 3HG2 ILE 2 3HG2 ILE 2 4.469 -8.426 -8.232 20 1HD1 ILE 2 1HD1 ILE 2 6.112 -5.662 -7.575 21 2HD1 ILE 2 2HD1 ILE 2 5.950 -4.611 -8.982 22 3HD1 ILE 2 3HD1 ILE 2 7.541 -5.199 -8.500 23 H SER 3 H SER 3 2.615 -6.438 -11.014 24 HA SER 3 HA SER 3 0.332 -6.703 -10.887 25 1HB SER 3 2HB SER 3 -0.543 -8.343 -12.582 26 2HB SER 3 1HB SER 3 0.637 -7.200 -13.214 27 HG SER 3 HG SER 3 0.833 -9.941 -12.775 28 H ASN 4 H ASN 4 -0.039 -9.950 -11.602 29 HA ASN 4 HA ASN 4 -1.048 -11.626 -10.398 30 1HB ASN 4 2HB ASN 4 0.432 -12.714 -8.914 31 2HB ASN 4 1HB ASN 4 1.468 -11.876 -10.065 32 1HD2 ASN 4 1HD2 ASN 4 2.670 -9.997 -9.295 33 2HD2 ASN 4 2HD2 ASN 4 2.821 -9.662 -7.638 34 H ALA 5 H ALA 5 -0.954 -12.185 -7.624 35 HA ALA 5 HA ALA 5 -3.258 -10.830 -6.731 36 1HB ALA 5 1HB ALA 5 -2.991 -12.056 -4.686 37 2HB ALA 5 2HB ALA 5 -1.275 -12.316 -5.001 38 3HB ALA 5 3HB ALA 5 -2.486 -13.114 -6.004 39 H LYS 6 H LYS 6 -0.126 -9.672 -6.885 40 HA LYS 6 HA LYS 6 0.107 -8.270 -4.431 41 1HB LYS 6 2HB LYS 6 1.915 -8.725 -6.222 42 2HB LYS 6 1HB LYS 6 1.269 -7.299 -7.035 43 1HG LYS 6 2HG LYS 6 2.888 -6.309 -5.702 44 2HG LYS 6 1HG LYS 6 1.500 -6.224 -4.618 45 1HD LYS 6 2HD LYS 6 2.213 -8.196 -3.427 46 2HD LYS 6 1HD LYS 6 3.475 -8.522 -4.617 47 1HE LYS 6 2HE LYS 6 4.721 -6.580 -3.958 48 2HE LYS 6 1HE LYS 6 3.385 -5.982 -2.972 49 1HZ LYS 6 1HZ LYS 6 5.408 -7.355 -1.972 50 2HZ LYS 6 2HZ LYS 6 4.372 -8.647 -2.349 51 3HZ LYS 6 3HZ LYS 6 3.848 -7.408 -1.310 52 H ILE 7 H ILE 7 -1.339 -7.458 -7.560 53 HA ILE 7 HA ILE 7 -1.846 -4.734 -7.113 54 HB ILE 7 HB ILE 7 -3.622 -6.673 -8.622 55 1HG1 ILE 7 2HG1 ILE 7 -1.395 -6.941 -9.487 56 2HG1 ILE 7 1HG1 ILE 7 -2.240 -5.874 -10.604 57 1HG2 ILE 7 1HG2 ILE 7 -4.056 -4.576 -9.986 58 2HG2 ILE 7 2HG2 ILE 7 -3.222 -3.671 -8.723 59 3HG2 ILE 7 3HG2 ILE 7 -4.707 -4.545 -8.348 60 1HD1 ILE 7 1HD1 ILE 7 -0.087 -5.214 -8.617 61 2HD1 ILE 7 2HD1 ILE 7 -1.254 -3.969 -9.066 62 3HD1 ILE 7 3HD1 ILE 7 -0.240 -4.714 -10.302 63 H ALA 8 H ALA 8 -3.987 -7.529 -6.559 64 HA ALA 8 HA ALA 8 -6.076 -6.120 -5.318 65 1HB ALA 8 1HB ALA 8 -6.274 -8.444 -6.153 66 2HB ALA 8 2HB ALA 8 -6.807 -8.295 -4.479 67 3HB ALA 8 3HB ALA 8 -5.226 -8.986 -4.843 68 H ARG 9 H ARG 9 -3.103 -7.509 -4.045 69 HA ARG 9 HA ARG 9 -3.648 -7.337 -1.298 70 1HB ARG 9 2HB ARG 9 -1.657 -8.445 -2.458 71 2HB ARG 9 1HB ARG 9 -0.940 -6.837 -2.537 72 1HG ARG 9 2HG ARG 9 -1.194 -6.641 -0.060 73 2HG ARG 9 1HG ARG 9 -1.794 -8.300 -0.022 74 1HD ARG 9 2HD ARG 9 0.338 -9.040 -1.107 75 2HD ARG 9 1HD ARG 9 0.936 -7.387 -0.972 76 HE ARG 9 HE ARG 9 0.096 -8.205 1.579 77 1HH1 ARG 9 1HH2 ARG 9 2.480 -8.987 -0.816 78 2HH1 ARG 9 2HH2 ARG 9 3.647 -9.543 0.337 79 1HH2 ARG 9 1HH1 ARG 9 1.623 -8.932 3.084 80 2HH2 ARG 9 2HH1 ARG 9 3.162 -9.511 2.543 81 H ILE 10 H ILE 10 -2.037 -5.000 -3.451 82 HA ILE 10 HA ILE 10 -1.514 -2.979 -1.627 83 HB ILE 10 HB ILE 10 -2.238 -2.848 -4.559 84 1HG1 ILE 10 2HG1 ILE 10 0.447 -2.215 -3.392 85 2HG1 ILE 10 1HG1 ILE 10 -0.038 -3.907 -3.474 86 1HG2 ILE 10 1HG2 ILE 10 -2.771 -0.672 -3.765 87 2HG2 ILE 10 2HG2 ILE 10 -1.119 -0.536 -4.366 88 3HG2 ILE 10 3HG2 ILE 10 -1.417 -0.667 -2.633 89 1HD1 ILE 10 1HD1 ILE 10 1.121 -3.415 -5.522 90 2HD1 ILE 10 2HD1 ILE 10 0.179 -1.946 -5.770 91 3HD1 ILE 10 3HD1 ILE 10 -0.593 -3.523 -5.920 92 H ASN 11 H ASN 11 -4.367 -3.132 -3.790 93 HA ASN 11 HA ASN 11 -5.735 -0.994 -2.565 94 1HB ASN 11 2HB ASN 11 -7.362 -1.393 -4.103 95 2HB ASN 11 1HB ASN 11 -6.126 -2.411 -4.825 96 1HD2 ASN 11 1HD2 ASN 11 -6.800 -4.501 -5.255 97 2HD2 ASN 11 2HD2 ASN 11 -8.070 -5.304 -4.463 98 H GLU 12 H GLU 12 -5.789 -4.471 -1.925 99 HA GLU 12 HA GLU 12 -7.979 -4.547 -0.174 100 1HB GLU 12 2HB GLU 12 -6.975 -6.580 -1.068 101 2HB GLU 12 1HB GLU 12 -5.479 -6.255 -0.194 102 1HG GLU 12 2HG GLU 12 -6.549 -6.555 1.930 103 2HG GLU 12 1HG GLU 12 -8.151 -6.556 1.195 104 H LEU 13 H LEU 13 -4.502 -4.318 0.627 105 HA LEU 13 HA LEU 13 -4.766 -4.056 3.391 106 1HB LEU 13 2HB LEU 13 -2.656 -4.199 1.744 107 2HB LEU 13 1HB LEU 13 -2.642 -2.463 2.043 108 HG LEU 13 HG LEU 13 -2.773 -4.528 4.259 109 1HD1 LEU 13 1HD1 LEU 13 -0.365 -4.063 4.588 110 2HD1 LEU 13 2HD1 LEU 13 -0.368 -3.045 3.147 111 3HD1 LEU 13 3HD1 LEU 13 -0.667 -4.777 3.005 112 1HD2 LEU 13 1HD2 LEU 13 -2.573 -1.542 4.085 113 2HD2 LEU 13 2HD2 LEU 13 -1.721 -2.354 5.398 114 3HD2 LEU 13 3HD2 LEU 13 -3.466 -2.540 5.233 115 H ALA 14 H ALA 14 -4.703 -1.535 0.884 116 HA ALA 14 HA ALA 14 -4.805 0.713 2.530 117 1HB ALA 14 1HB ALA 14 -6.194 0.395 -0.141 118 2HB ALA 14 2HB ALA 14 -4.473 0.730 0.052 119 3HB ALA 14 3HB ALA 14 -5.667 1.903 0.608 120 H ALA 15 H ALA 15 -7.559 -0.956 0.978 121 HA ALA 15 HA ALA 15 -9.585 0.522 2.260 122 1HB ALA 15 1HB ALA 15 -11.053 -1.409 1.618 123 2HB ALA 15 2HB ALA 15 -9.606 -2.263 1.081 124 3HB ALA 15 3HB ALA 15 -10.091 -0.764 0.287 125 H LYS 16 H LYS 16 -7.873 -2.406 3.223 126 HA LYS 16 HA LYS 16 -9.543 -3.190 5.350 127 1HB LYS 16 2HB LYS 16 -6.583 -3.573 4.865 128 2HB LYS 16 1HB LYS 16 -7.427 -4.284 6.240 129 1HG LYS 16 2HG LYS 16 -8.671 -4.689 3.565 130 2HG LYS 16 1HG LYS 16 -7.170 -5.561 3.876 131 1HD LYS 16 2HD LYS 16 -8.138 -6.488 5.951 132 2HD LYS 16 1HD LYS 16 -9.643 -5.623 5.634 133 1HE LYS 16 2HE LYS 16 -8.441 -7.605 3.685 134 2HE LYS 16 1HE LYS 16 -9.629 -8.057 4.907 135 1HZ LYS 16 1HZ LYS 16 -10.150 -5.808 3.075 136 2HZ LYS 16 2HZ LYS 16 -11.259 -6.773 3.925 137 3HZ LYS 16 3HZ LYS 16 -10.440 -7.403 2.576 138 H ALA 17 H ALA 17 -6.395 -1.542 5.578 139 HA ALA 17 HA ALA 17 -6.657 -0.734 8.252 140 1HB ALA 17 1HB ALA 17 -5.081 0.612 6.044 141 2HB ALA 17 2HB ALA 17 -4.518 -0.754 7.007 142 3HB ALA 17 3HB ALA 17 -4.818 0.803 7.777 143 H LYS 18 H LYS 18 -8.099 0.487 5.361 144 HA LYS 18 HA LYS 18 -8.541 3.178 6.158 145 1HB LYS 18 2HB LYS 18 -8.852 2.190 3.825 146 2HB LYS 18 1HB LYS 18 -10.394 1.565 4.402 147 1HG LYS 18 2HG LYS 18 -10.909 3.968 5.146 148 2HG LYS 18 1HG LYS 18 -9.525 4.448 4.162 149 1HD LYS 18 2HD LYS 18 -10.584 3.259 2.213 150 2HD LYS 18 1HD LYS 18 -12.014 3.001 3.214 151 1HE LYS 18 2HE LYS 18 -12.496 4.981 2.005 152 2HE LYS 18 1HE LYS 18 -11.989 5.552 3.594 153 1HZ LYS 18 1HZ LYS 18 -10.401 6.704 2.602 154 2HZ LYS 18 2HZ LYS 18 -10.825 6.072 1.083 155 3HZ LYS 18 3HZ LYS 18 -9.694 5.261 2.058 156 H ALA 19 H ALA 19 -10.925 0.520 6.038 157 HA ALA 19 HA ALA 19 -12.721 1.863 7.829 158 1HB ALA 19 1HB ALA 19 -12.712 -1.038 6.962 159 2HB ALA 19 2HB ALA 19 -13.470 0.274 6.062 160 3HB ALA 19 3HB ALA 19 -14.068 -0.155 7.664 161 H GLY 20 H GLY 20 -9.838 0.331 8.375 162 1HA GLY 20 2HA GLY 20 -10.606 -0.915 10.915 163 2HA GLY 20 1HA GLY 20 -9.026 -1.008 10.144 164 H VAL 21 H VAL 21 -7.746 1.035 10.086 165 HA VAL 21 HA VAL 21 -8.420 3.046 12.084 166 HB VAL 21 HB VAL 21 -6.020 1.222 12.368 167 1HG1 VAL 21 1HG1 VAL 21 -5.150 3.356 12.870 168 2HG1 VAL 21 2HG1 VAL 21 -5.664 2.750 14.444 169 3HG1 VAL 21 3HG1 VAL 21 -6.669 3.911 13.574 170 1HG2 VAL 21 1HG2 VAL 21 -8.454 1.807 14.078 171 2HG2 VAL 21 2HG2 VAL 21 -7.025 0.983 14.699 172 3HG2 VAL 21 3HG2 VAL 21 -7.964 0.255 13.396 173 H ILE 22 H ILE 22 -5.527 1.855 10.395 174 HA ILE 22 HA ILE 22 -4.101 2.836 8.901 175 HB ILE 22 HB ILE 22 -6.616 3.876 8.193 176 1HG1 ILE 22 2HG1 ILE 22 -3.918 4.070 6.814 177 2HG1 ILE 22 1HG1 ILE 22 -5.027 2.702 6.729 178 1HG2 ILE 22 1HG2 ILE 22 -6.185 6.171 7.540 179 2HG2 ILE 22 2HG2 ILE 22 -4.524 6.074 8.120 180 3HG2 ILE 22 3HG2 ILE 22 -5.863 6.031 9.267 181 1HD1 ILE 22 1HD1 ILE 22 -6.721 4.628 5.949 182 2HD1 ILE 22 2HD1 ILE 22 -5.672 3.789 4.807 183 3HD1 ILE 22 3HD1 ILE 22 -5.212 5.376 5.424 184 H THR 23 H THR 23 -2.433 4.332 8.946 185 HA THR 23 HA THR 23 -2.476 6.729 10.476 186 HB THR 23 HB THR 23 -0.512 5.332 11.942 187 HG1 THR 23 HG1 THR 23 -1.691 3.438 11.281 188 1HG2 THR 23 1HG2 THR 23 -1.800 6.025 13.826 189 2HG2 THR 23 2HG2 THR 23 -3.296 6.029 12.892 190 3HG2 THR 23 3HG2 THR 23 -2.063 7.252 12.587 191 H GLU 24 H GLU 24 -0.188 7.578 10.776 192 HA GLU 24 HA GLU 24 1.137 7.784 8.367 193 1HB GLU 24 2HB GLU 24 2.362 7.994 11.131 194 2HB GLU 24 1HB GLU 24 3.058 8.641 9.647 195 1HG GLU 24 2HG GLU 24 1.958 10.505 10.562 196 2HG GLU 24 1HG GLU 24 0.794 9.894 9.389 197 H GLU 25 H GLU 25 1.588 5.421 10.935 198 HA GLU 25 HA GLU 25 3.969 4.224 10.051 199 1HB GLU 25 2HB GLU 25 2.880 3.816 12.257 200 2HB GLU 25 1HB GLU 25 1.636 2.875 11.434 201 1HG GLU 25 2HG GLU 25 3.338 1.318 10.596 202 2HG GLU 25 1HG GLU 25 4.608 2.274 11.357 203 H GLU 26 H GLU 26 0.605 3.151 9.498 204 HA GLU 26 HA GLU 26 1.277 1.118 7.642 205 1HB GLU 26 2HB GLU 26 -1.261 2.572 8.340 206 2HB GLU 26 1HB GLU 26 -1.219 1.461 6.972 207 1HG GLU 26 2HG GLU 26 -1.940 0.331 9.062 208 2HG GLU 26 1HG GLU 26 -0.443 -0.350 8.427 209 H LYS 27 H LYS 27 -0.027 4.403 7.153 210 HA LYS 27 HA LYS 27 -0.160 4.448 4.395 211 1HB LYS 27 2HB LYS 27 0.551 6.653 6.340 212 2HB LYS 27 1HB LYS 27 0.198 6.923 4.635 213 1HG LYS 27 2HG LYS 27 -1.996 5.628 5.070 214 2HG LYS 27 1HG LYS 27 -1.652 5.881 6.781 215 1HD LYS 27 2HD LYS 27 -2.820 7.819 6.443 216 2HD LYS 27 1HD LYS 27 -1.263 8.401 5.855 217 1HE LYS 27 2HE LYS 27 -1.919 7.711 3.548 218 2HE LYS 27 1HE LYS 27 -3.504 7.247 4.166 219 1HZ LYS 27 1HZ LYS 27 -2.359 9.905 3.786 220 2HZ LYS 27 2HZ LYS 27 -3.379 9.684 5.128 221 3HZ LYS 27 3HZ LYS 27 -3.953 9.368 3.560 222 H ALA 28 H ALA 28 2.648 5.098 6.480 223 HA ALA 28 HA ALA 28 4.438 5.892 4.450 224 1HB ALA 28 1HB ALA 28 4.935 4.533 7.110 225 2HB ALA 28 2HB ALA 28 5.017 6.261 6.763 226 3HB ALA 28 3HB ALA 28 6.215 5.165 6.074 227 H GLU 29 H GLU 29 3.708 2.708 5.838 228 HA GLU 29 HA GLU 29 5.583 1.187 4.419 229 1HB GLU 29 2HB GLU 29 3.997 0.480 6.338 230 2HB GLU 29 1HB GLU 29 2.816 0.181 5.064 231 1HG GLU 29 2HG GLU 29 3.962 -1.897 5.461 232 2HG GLU 29 1HG GLU 29 4.545 -1.269 3.921 233 H GLN 30 H GLN 30 2.131 1.698 3.656 234 HA GLN 30 HA GLN 30 2.002 0.438 1.204 235 1HB GLN 30 2HB GLN 30 0.608 3.050 1.828 236 2HB GLN 30 1HB GLN 30 0.069 1.780 0.730 237 1HG GLN 30 2HG GLN 30 0.346 0.348 3.027 238 2HG GLN 30 1HG GLN 30 -0.098 1.922 3.686 239 1HE2 GLN 30 1HE2 GLN 30 -1.302 -0.871 1.988 240 2HE2 GLN 30 2HE2 GLN 30 -2.896 -0.317 1.800 241 H GLN 31 H GLN 31 3.046 3.757 1.902 242 HA GLN 31 HA GLN 31 3.360 4.658 -0.730 243 1HB GLN 31 2HB GLN 31 3.455 6.185 1.162 244 2HB GLN 31 1HB GLN 31 4.916 5.401 1.759 245 1HG GLN 31 2HG GLN 31 5.358 7.524 0.485 246 2HG GLN 31 1HG GLN 31 6.173 6.112 -0.183 247 1HE2 GLN 31 1HE2 GLN 31 2.822 7.434 -0.536 248 2HE2 GLN 31 2HE2 GLN 31 2.842 7.408 -2.233 249 H LYS 32 H LYS 32 5.606 2.903 1.383 250 HA LYS 32 HA LYS 32 7.875 3.007 -0.276 251 1HB LYS 32 2HB LYS 32 7.431 2.029 2.189 252 2HB LYS 32 1HB LYS 32 7.384 0.518 1.282 253 1HG LYS 32 2HG LYS 32 9.623 2.549 1.041 254 2HG LYS 32 1HG LYS 32 9.681 1.156 2.119 255 1HD LYS 32 2HD LYS 32 9.056 -0.184 -0.072 256 2HD LYS 32 1HD LYS 32 9.730 1.232 -0.880 257 1HE LYS 32 2HE LYS 32 11.773 0.952 0.631 258 2HE LYS 32 1HE LYS 32 11.111 -0.623 1.070 259 1HZ LYS 32 1HZ LYS 32 10.942 -0.587 -1.640 260 2HZ LYS 32 2HZ LYS 32 12.151 -1.364 -0.733 261 3HZ LYS 32 3HZ LYS 32 12.417 0.197 -1.345 262 H LEU 33 H LEU 33 5.363 0.491 -0.004 263 HA LEU 33 HA LEU 33 6.310 -1.226 -1.999 264 1HB LEU 33 2HB LEU 33 3.364 -0.770 -1.536 265 2HB LEU 33 1HB LEU 33 4.198 -2.266 -1.942 266 HG LEU 33 HG LEU 33 4.327 -0.782 0.696 267 1HD1 LEU 33 1HD1 LEU 33 3.477 -3.633 0.200 268 2HD1 LEU 33 2HD1 LEU 33 2.330 -2.299 0.073 269 3HD1 LEU 33 3HD1 LEU 33 3.147 -2.616 1.603 270 1HD2 LEU 33 1HD2 LEU 33 5.942 -3.083 -0.410 271 2HD2 LEU 33 2HD2 LEU 33 5.696 -2.895 1.326 272 3HD2 LEU 33 3HD2 LEU 33 6.519 -1.633 0.412 273 H ARG 34 H ARG 34 3.893 1.380 -2.249 274 HA ARG 34 HA ARG 34 3.469 1.221 -5.029 275 1HB ARG 34 2HB ARG 34 2.151 2.539 -3.245 276 2HB ARG 34 1HB ARG 34 3.368 3.796 -3.461 277 1HG ARG 34 2HG ARG 34 2.866 3.622 -5.977 278 2HG ARG 34 1HG ARG 34 1.438 2.697 -5.512 279 1HD ARG 34 2HD ARG 34 2.107 5.565 -4.836 280 2HD ARG 34 1HD ARG 34 0.687 4.947 -5.676 281 HE ARG 34 HE ARG 34 0.759 3.816 -3.094 282 1HH1 ARG 34 1HH2 ARG 34 0.332 6.866 -4.685 283 2HH1 ARG 34 2HH2 ARG 34 -0.682 7.523 -3.443 284 1HH2 ARG 34 1HH1 ARG 34 -0.566 4.675 -1.470 285 2HH2 ARG 34 2HH1 ARG 34 -1.189 6.283 -1.626 286 H GLN 35 H GLN 35 5.795 3.088 -3.110 287 HA GLN 35 HA GLN 35 6.921 4.592 -5.199 288 1HB GLN 35 2HB GLN 35 7.388 5.050 -2.829 289 2HB GLN 35 1HB GLN 35 8.248 3.517 -2.694 290 1HG GLN 35 2HG GLN 35 9.945 4.243 -4.243 291 2HG GLN 35 1HG GLN 35 9.026 5.691 -4.652 292 1HE2 GLN 35 1HE2 GLN 35 10.567 4.099 -1.805 293 2HE2 GLN 35 2HE2 GLN 35 10.984 5.556 -1.039 294 H GLU 36 H GLU 36 7.316 1.267 -4.223 295 HA GLU 36 HA GLU 36 9.720 0.702 -5.616 296 1HB GLU 36 2HB GLU 36 8.289 -0.703 -3.854 297 2HB GLU 36 1HB GLU 36 7.632 -1.411 -5.330 298 1HG GLU 36 2HG GLU 36 9.454 -2.789 -5.085 299 2HG GLU 36 1HG GLU 36 10.238 -1.486 -5.973 300 H TYR 37 H TYR 37 6.369 -0.219 -6.481 301 HA TYR 37 HA TYR 37 6.913 -0.992 -9.119 302 1HB TYR 37 2HB TYR 37 4.323 0.377 -8.664 303 2HB TYR 37 1HB TYR 37 4.654 -1.178 -9.400 304 HD1 TYR 37 HD1 TYR 37 3.083 0.294 -6.760 305 HD2 TYR 37 HD2 TYR 37 5.864 -2.873 -7.565 306 HE1 TYR 37 HE1 TYR 37 2.391 -0.851 -4.661 307 HE2 TYR 37 HE2 TYR 37 5.184 -4.015 -5.470 308 HH TYR 37 HH TYR 37 3.634 -4.063 -3.829 309 H LEU 38 H LEU 38 5.713 2.117 -7.903 310 HA LEU 38 HA LEU 38 5.486 3.465 -10.296 311 1HB LEU 38 2HB LEU 38 5.940 4.304 -7.472 312 2HB LEU 38 1HB LEU 38 6.130 5.516 -8.735 313 HG LEU 38 HG LEU 38 3.778 5.237 -7.689 314 1HD1 LEU 38 1HD1 LEU 38 2.753 5.896 -9.722 315 2HD1 LEU 38 2HD1 LEU 38 3.860 4.924 -10.692 316 3HD1 LEU 38 3HD1 LEU 38 4.437 6.388 -9.897 317 1HD2 LEU 38 1HD2 LEU 38 3.641 2.921 -9.638 318 2HD2 LEU 38 2HD2 LEU 38 2.405 3.449 -8.498 319 3HD2 LEU 38 3HD2 LEU 38 3.882 2.692 -7.907 320 H LYS 39 H LYS 39 8.260 3.874 -8.061 321 HA LYS 39 HA LYS 39 9.881 5.175 -9.992 322 1HB LYS 39 2HB LYS 39 10.633 3.738 -7.436 323 2HB LYS 39 1HB LYS 39 11.742 4.722 -8.390 324 1HG LYS 39 2HG LYS 39 9.110 5.878 -7.504 325 2HG LYS 39 1HG LYS 39 10.466 5.821 -6.379 326 1HD LYS 39 2HD LYS 39 11.816 7.202 -7.752 327 2HD LYS 39 1HD LYS 39 10.780 6.962 -9.158 328 1HE LYS 39 2HE LYS 39 9.847 8.346 -6.631 329 2HE LYS 39 1HE LYS 39 10.512 9.209 -8.017 330 1HZ LYS 39 1HZ LYS 39 8.512 9.137 -8.929 331 2HZ LYS 39 2HZ LYS 39 7.905 8.201 -7.649 332 3HZ LYS 39 3HZ LYS 39 8.608 7.446 -8.998 333 H GLY 40 H GLY 40 9.005 1.922 -9.645 334 1HA GLY 40 2HA GLY 40 11.429 0.790 -10.778 335 2HA GLY 40 1HA GLY 40 9.946 -0.076 -10.396 336 H PHE 41 H PHE 41 8.860 2.509 -12.014 337 HA PHE 41 HA PHE 41 8.172 1.098 -14.357 338 1HB PHE 41 2HB PHE 41 6.996 3.128 -13.378 339 2HB PHE 41 1HB PHE 41 8.277 4.107 -14.091 340 HD1 PHE 41 HD1 PHE 41 5.612 1.624 -14.896 341 HD2 PHE 41 HD2 PHE 41 8.267 4.645 -16.407 342 HE1 PHE 41 HE1 PHE 41 4.451 1.550 -17.084 343 HE2 PHE 41 HE2 PHE 41 7.105 4.571 -18.596 344 HZ PHE 41 HZ PHE 41 5.197 3.023 -18.935 345 H ARG 42 H ARG 42 9.142 0.859 -16.280 346 HA ARG 42 HA ARG 42 10.701 0.970 -17.955 347 1HB ARG 42 2HB ARG 42 10.113 3.466 -17.751 348 2HB ARG 42 1HB ARG 42 11.616 3.620 -16.843 349 1HG ARG 42 2HG ARG 42 12.432 4.003 -18.969 350 2HG ARG 42 1HG ARG 42 12.583 2.247 -18.923 351 1HD ARG 42 2HD ARG 42 11.464 2.586 -20.948 352 2HD ARG 42 1HD ARG 42 10.135 2.262 -19.841 353 HE ARG 42 HE ARG 42 9.430 4.457 -20.125 354 1HH1 ARG 42 1HH2 ARG 42 12.690 4.054 -21.236 355 2HH1 ARG 42 2HH2 ARG 42 12.788 5.634 -21.937 356 1HH2 ARG 42 1HH1 ARG 42 9.562 6.528 -21.041 357 2HH2 ARG 42 2HH1 ARG 42 11.021 7.033 -21.826 Start of MODEL 3 1 1H MET 1 1HT MET 1 6.116 -7.368 -5.508 2 2H MET 1 2HT MET 1 7.666 -7.674 -4.883 3 3H MET 1 3HT MET 1 6.903 -8.825 -5.874 4 HA MET 1 HA MET 1 7.607 -6.100 -6.803 5 1HB MET 1 2HB MET 1 9.477 -7.379 -8.021 6 2HB MET 1 1HB MET 1 9.709 -7.090 -6.299 7 1HG MET 1 2HG MET 1 8.284 -9.599 -7.005 8 2HG MET 1 1HG MET 1 9.992 -9.534 -7.438 9 1HE MET 1 1HE MET 1 8.737 -11.220 -3.787 10 2HE MET 1 2HE MET 1 8.600 -11.516 -5.518 11 3HE MET 1 3HE MET 1 7.506 -10.376 -4.737 12 H ILE 2 H ILE 2 5.688 -8.776 -7.062 13 HA ILE 2 HA ILE 2 5.703 -9.226 -9.888 14 HB ILE 2 HB ILE 2 4.856 -10.811 -8.073 15 1HG1 ILE 2 2HG1 ILE 2 3.011 -10.189 -10.407 16 2HG1 ILE 2 1HG1 ILE 2 4.471 -11.173 -10.498 17 1HG2 ILE 2 1HG2 ILE 2 2.784 -10.469 -7.072 18 2HG2 ILE 2 2HG2 ILE 2 2.226 -9.391 -8.348 19 3HG2 ILE 2 3HG2 ILE 2 3.385 -8.815 -7.153 20 1HD1 ILE 2 1HD1 ILE 2 1.888 -11.773 -9.064 21 2HD1 ILE 2 2HD1 ILE 2 3.388 -12.583 -8.611 22 3HD1 ILE 2 3HD1 ILE 2 2.746 -12.763 -10.244 23 H SER 3 H SER 3 3.939 -8.714 -11.349 24 HA SER 3 HA SER 3 2.791 -6.052 -10.787 25 1HB SER 3 2HB SER 3 2.644 -5.786 -13.212 26 2HB SER 3 1HB SER 3 4.289 -6.215 -12.753 27 HG SER 3 HG SER 3 3.866 -8.330 -13.370 28 H ASN 4 H ASN 4 1.678 -8.600 -9.845 29 HA ASN 4 HA ASN 4 -1.004 -8.305 -11.004 30 1HB ASN 4 2HB ASN 4 -0.249 -10.172 -12.242 31 2HB ASN 4 1HB ASN 4 0.588 -10.861 -10.855 32 1HD2 ASN 4 1HD2 ASN 4 -0.735 -11.923 -9.192 33 2HD2 ASN 4 2HD2 ASN 4 -2.332 -12.392 -9.521 34 H ALA 5 H ALA 5 0.594 -10.505 -8.677 35 HA ALA 5 HA ALA 5 -1.545 -10.527 -6.847 36 1HB ALA 5 1HB ALA 5 1.218 -10.916 -5.809 37 2HB ALA 5 2HB ALA 5 0.675 -12.007 -7.084 38 3HB ALA 5 3HB ALA 5 -0.226 -11.900 -5.572 39 H LYS 6 H LYS 6 0.916 -8.175 -7.413 40 HA LYS 6 HA LYS 6 0.983 -6.977 -4.825 41 1HB LYS 6 2HB LYS 6 1.914 -6.286 -7.553 42 2HB LYS 6 1HB LYS 6 1.615 -4.920 -6.478 43 1HG LYS 6 2HG LYS 6 3.180 -7.277 -5.460 44 2HG LYS 6 1HG LYS 6 3.978 -6.084 -6.484 45 1HD LYS 6 2HD LYS 6 3.232 -4.284 -4.936 46 2HD LYS 6 1HD LYS 6 2.516 -5.509 -3.889 47 1HE LYS 6 2HE LYS 6 5.434 -5.569 -4.683 48 2HE LYS 6 1HE LYS 6 4.862 -4.721 -3.245 49 1HZ LYS 6 1HZ LYS 6 4.565 -7.610 -3.849 50 2HZ LYS 6 2HZ LYS 6 3.823 -6.830 -2.535 51 3HZ LYS 6 3HZ LYS 6 5.516 -6.914 -2.630 52 H ILE 7 H ILE 7 -1.088 -6.646 -7.631 53 HA ILE 7 HA ILE 7 -2.385 -4.239 -7.044 54 HB ILE 7 HB ILE 7 -3.524 -6.731 -8.337 55 1HG1 ILE 7 2HG1 ILE 7 -2.492 -4.271 -9.747 56 2HG1 ILE 7 1HG1 ILE 7 -1.388 -5.564 -9.285 57 1HG2 ILE 7 1HG2 ILE 7 -4.439 -3.837 -8.350 58 2HG2 ILE 7 2HG2 ILE 7 -5.309 -5.214 -7.675 59 3HG2 ILE 7 3HG2 ILE 7 -5.078 -5.086 -9.418 60 1HD1 ILE 7 1HD1 ILE 7 -2.963 -7.174 -10.472 61 2HD1 ILE 7 2HD1 ILE 7 -2.090 -6.057 -11.522 62 3HD1 ILE 7 3HD1 ILE 7 -3.783 -5.755 -11.126 63 H ALA 8 H ALA 8 -3.676 -7.509 -6.414 64 HA ALA 8 HA ALA 8 -5.782 -6.736 -4.759 65 1HB ALA 8 1HB ALA 8 -5.787 -8.953 -5.607 66 2HB ALA 8 2HB ALA 8 -5.592 -9.116 -3.863 67 3HB ALA 8 3HB ALA 8 -4.197 -9.297 -4.927 68 H ARG 9 H ARG 9 -2.389 -7.290 -3.997 69 HA ARG 9 HA ARG 9 -2.593 -7.452 -1.197 70 1HB ARG 9 2HB ARG 9 -0.437 -6.764 -3.133 71 2HB ARG 9 1HB ARG 9 -0.190 -6.297 -1.451 72 1HG ARG 9 2HG ARG 9 -1.104 -9.084 -2.148 73 2HG ARG 9 1HG ARG 9 0.607 -8.658 -2.204 74 1HD ARG 9 2HD ARG 9 0.320 -7.752 0.166 75 2HD ARG 9 1HD ARG 9 -1.253 -8.543 0.179 76 HE ARG 9 HE ARG 9 0.855 -10.339 -0.589 77 1HH1 ARG 9 1HH2 ARG 9 -0.711 -8.770 2.074 78 2HH1 ARG 9 2HH2 ARG 9 -0.296 -10.000 3.221 79 1HH2 ARG 9 1HH1 ARG 9 1.399 -11.953 0.913 80 2HH2 ARG 9 2HH1 ARG 9 0.899 -11.799 2.564 81 H ILE 10 H ILE 10 -1.235 -4.613 -2.850 82 HA ILE 10 HA ILE 10 -1.627 -2.793 -0.793 83 HB ILE 10 HB ILE 10 -1.674 -2.210 -3.766 84 1HG1 ILE 10 2HG1 ILE 10 0.692 -2.184 -1.867 85 2HG1 ILE 10 1HG1 ILE 10 0.298 -3.570 -2.883 86 1HG2 ILE 10 1HG2 ILE 10 -2.398 -0.293 -2.448 87 2HG2 ILE 10 2HG2 ILE 10 -0.750 -0.006 -3.004 88 3HG2 ILE 10 3HG2 ILE 10 -1.043 -0.502 -1.337 89 1HD1 ILE 10 1HD1 ILE 10 1.037 -0.778 -3.783 90 2HD1 ILE 10 2HD1 ILE 10 0.352 -1.985 -4.871 91 3HD1 ILE 10 3HD1 ILE 10 1.911 -2.277 -4.098 92 H ASN 11 H ASN 11 -3.832 -3.705 -3.409 93 HA ASN 11 HA ASN 11 -5.793 -1.736 -3.029 94 1HB ASN 11 2HB ASN 11 -5.804 -3.151 -4.991 95 2HB ASN 11 1HB ASN 11 -6.051 -4.589 -4.003 96 1HD2 ASN 11 1HD2 ASN 11 -8.168 -5.250 -4.424 97 2HD2 ASN 11 2HD2 ASN 11 -9.522 -4.225 -4.390 98 H GLU 12 H GLU 12 -5.911 -5.119 -1.868 99 HA GLU 12 HA GLU 12 -8.146 -4.797 -0.206 100 1HB GLU 12 2HB GLU 12 -6.824 -6.945 -0.982 101 2HB GLU 12 1HB GLU 12 -5.978 -6.719 0.548 102 1HG GLU 12 2HG GLU 12 -8.122 -6.728 1.753 103 2HG GLU 12 1HG GLU 12 -8.988 -6.911 0.230 104 H LEU 13 H LEU 13 -4.688 -4.404 0.472 105 HA LEU 13 HA LEU 13 -4.850 -4.042 3.256 106 1HB LEU 13 2HB LEU 13 -2.779 -4.261 1.668 107 2HB LEU 13 1HB LEU 13 -2.885 -2.504 1.581 108 HG LEU 13 HG LEU 13 -2.816 -4.018 4.206 109 1HD1 LEU 13 1HD1 LEU 13 -0.554 -2.842 2.564 110 2HD1 LEU 13 2HD1 LEU 13 -0.731 -4.512 3.104 111 3HD1 LEU 13 3HD1 LEU 13 -0.407 -3.238 4.277 112 1HD2 LEU 13 1HD2 LEU 13 -3.505 -1.912 4.814 113 2HD2 LEU 13 2HD2 LEU 13 -2.868 -1.168 3.348 114 3HD2 LEU 13 3HD2 LEU 13 -1.784 -1.559 4.680 115 H ALA 14 H ALA 14 -4.959 -1.665 0.608 116 HA ALA 14 HA ALA 14 -5.177 0.659 2.141 117 1HB ALA 14 1HB ALA 14 -4.816 0.633 -0.308 118 2HB ALA 14 2HB ALA 14 -6.153 1.687 0.151 119 3HB ALA 14 3HB ALA 14 -6.481 0.095 -0.534 120 H ALA 15 H ALA 15 -7.700 -1.547 0.973 121 HA ALA 15 HA ALA 15 -9.928 -0.074 1.883 122 1HB ALA 15 1HB ALA 15 -9.808 -3.085 1.709 123 2HB ALA 15 2HB ALA 15 -9.902 -2.057 0.277 124 3HB ALA 15 3HB ALA 15 -11.203 -2.031 1.468 125 H LYS 16 H LYS 16 -7.812 -2.378 3.496 126 HA LYS 16 HA LYS 16 -9.390 -2.851 5.789 127 1HB LYS 16 2HB LYS 16 -6.379 -2.887 5.447 128 2HB LYS 16 1HB LYS 16 -7.230 -3.487 6.870 129 1HG LYS 16 2HG LYS 16 -8.131 -4.497 4.208 130 2HG LYS 16 1HG LYS 16 -6.592 -5.097 4.822 131 1HD LYS 16 2HD LYS 16 -9.118 -5.098 6.489 132 2HD LYS 16 1HD LYS 16 -8.657 -6.459 5.466 133 1HE LYS 16 2HE LYS 16 -6.317 -5.928 6.839 134 2HE LYS 16 1HE LYS 16 -7.555 -5.610 8.054 135 1HZ LYS 16 1HZ LYS 16 -7.123 -8.098 6.506 136 2HZ LYS 16 2HZ LYS 16 -8.551 -7.798 7.377 137 3HZ LYS 16 3HZ LYS 16 -7.061 -7.892 8.188 138 H ALA 17 H ALA 17 -6.529 -0.754 5.487 139 HA ALA 17 HA ALA 17 -6.919 0.637 7.910 140 1HB ALA 17 1HB ALA 17 -4.804 1.088 7.221 141 2HB ALA 17 2HB ALA 17 -5.554 2.424 6.350 142 3HB ALA 17 3HB ALA 17 -5.216 0.910 5.515 143 H LYS 18 H LYS 18 -8.464 0.907 4.826 144 HA LYS 18 HA LYS 18 -9.272 3.618 4.925 145 1HB LYS 18 2HB LYS 18 -9.522 2.045 2.949 146 2HB LYS 18 1HB LYS 18 -10.903 1.337 3.782 147 1HG LYS 18 2HG LYS 18 -11.955 3.598 3.883 148 2HG LYS 18 1HG LYS 18 -10.604 4.237 2.947 149 1HD LYS 18 2HD LYS 18 -12.321 1.937 1.982 150 2HD LYS 18 1HD LYS 18 -12.681 3.620 1.600 151 1HE LYS 18 2HE LYS 18 -10.160 3.680 0.831 152 2HE LYS 18 1HE LYS 18 -10.362 1.933 0.713 153 1HZ LYS 18 1HZ LYS 18 -12.453 3.596 -0.456 154 2HZ LYS 18 2HZ LYS 18 -11.815 2.115 -0.991 155 3HZ LYS 18 3HZ LYS 18 -10.963 3.559 -1.264 156 H ALA 19 H ALA 19 -11.341 0.794 5.585 157 HA ALA 19 HA ALA 19 -13.080 2.368 7.293 158 1HB ALA 19 1HB ALA 19 -14.330 0.246 7.541 159 2HB ALA 19 2HB ALA 19 -13.060 -0.594 6.649 160 3HB ALA 19 3HB ALA 19 -14.036 0.636 5.846 161 H GLY 20 H GLY 20 -10.177 0.743 7.687 162 1HA GLY 20 2HA GLY 20 -10.678 0.024 10.499 163 2HA GLY 20 1HA GLY 20 -9.303 -0.493 9.532 164 H VAL 21 H VAL 21 -9.867 2.736 8.931 165 HA VAL 21 HA VAL 21 -8.862 4.695 9.573 166 HB VAL 21 HB VAL 21 -8.063 3.548 12.223 167 1HG1 VAL 21 1HG1 VAL 21 -8.647 5.760 12.992 168 2HG1 VAL 21 2HG1 VAL 21 -9.432 6.143 11.459 169 3HG1 VAL 21 3HG1 VAL 21 -7.681 5.948 11.529 170 1HG2 VAL 21 1HG2 VAL 21 -10.859 3.853 11.163 171 2HG2 VAL 21 2HG2 VAL 21 -10.537 4.203 12.861 172 3HG2 VAL 21 3HG2 VAL 21 -10.196 2.600 12.212 173 H ILE 22 H ILE 22 -7.139 4.739 8.220 174 HA ILE 22 HA ILE 22 -4.867 3.104 8.310 175 HB ILE 22 HB ILE 22 -5.454 4.495 6.371 176 1HG1 ILE 22 2HG1 ILE 22 -2.839 5.679 7.099 177 2HG1 ILE 22 1HG1 ILE 22 -2.938 3.928 7.284 178 1HG2 ILE 22 1HG2 ILE 22 -5.225 6.879 6.385 179 2HG2 ILE 22 2HG2 ILE 22 -4.471 6.864 7.978 180 3HG2 ILE 22 3HG2 ILE 22 -6.182 6.468 7.808 181 1HD1 ILE 22 1HD1 ILE 22 -2.180 4.610 5.006 182 2HD1 ILE 22 2HD1 ILE 22 -3.723 5.432 4.772 183 3HD1 ILE 22 3HD1 ILE 22 -3.678 3.680 4.975 184 H THR 23 H THR 23 -2.849 3.319 9.232 185 HA THR 23 HA THR 23 -2.677 5.233 11.480 186 HB THR 23 HB THR 23 -1.396 3.653 12.659 187 HG1 THR 23 HG1 THR 23 -0.699 1.704 11.417 188 1HG2 THR 23 1HG2 THR 23 -3.182 1.845 11.023 189 2HG2 THR 23 2HG2 THR 23 -3.828 2.986 12.202 190 3HG2 THR 23 3HG2 THR 23 -2.749 1.694 12.725 191 H GLU 24 H GLU 24 -0.605 6.178 11.941 192 HA GLU 24 HA GLU 24 0.677 7.381 9.789 193 1HB GLU 24 2HB GLU 24 1.704 6.808 12.580 194 2HB GLU 24 1HB GLU 24 2.535 7.848 11.423 195 1HG GLU 24 2HG GLU 24 0.590 9.324 11.298 196 2HG GLU 24 1HG GLU 24 -0.315 8.260 12.372 197 H GLU 25 H GLU 25 1.709 4.544 11.673 198 HA GLU 25 HA GLU 25 4.079 3.998 10.256 199 1HB GLU 25 2HB GLU 25 2.244 2.017 11.632 200 2HB GLU 25 1HB GLU 25 3.946 1.769 11.239 201 1HG GLU 25 2HG GLU 25 2.863 3.896 13.113 202 2HG GLU 25 1HG GLU 25 3.657 2.404 13.610 203 H GLU 26 H GLU 26 0.743 2.918 9.760 204 HA GLU 26 HA GLU 26 1.260 1.108 7.650 205 1HB GLU 26 2HB GLU 26 -0.868 1.176 8.925 206 2HB GLU 26 1HB GLU 26 -1.248 2.725 8.176 207 1HG GLU 26 2HG GLU 26 -2.372 0.879 6.991 208 2HG GLU 26 1HG GLU 26 -1.193 1.670 5.948 209 H LYS 27 H LYS 27 0.329 4.545 7.648 210 HA LYS 27 HA LYS 27 0.082 4.969 4.917 211 1HB LYS 27 2HB LYS 27 -0.395 6.628 6.750 212 2HB LYS 27 1HB LYS 27 1.342 6.911 6.866 213 1HG LYS 27 2HG LYS 27 1.370 7.529 4.448 214 2HG LYS 27 1HG LYS 27 -0.382 7.341 4.407 215 1HD LYS 27 2HD LYS 27 0.797 9.117 6.511 216 2HD LYS 27 1HD LYS 27 0.727 9.720 4.855 217 1HE LYS 27 2HE LYS 27 -1.671 8.542 6.281 218 2HE LYS 27 1HE LYS 27 -1.303 10.267 6.280 219 1HZ LYS 27 1HZ LYS 27 -1.134 9.284 3.652 220 2HZ LYS 27 2HZ LYS 27 -2.202 10.445 4.284 221 3HZ LYS 27 3HZ LYS 27 -2.617 8.798 4.314 222 H ALA 28 H ALA 28 3.015 5.159 6.925 223 HA ALA 28 HA ALA 28 4.810 5.867 4.868 224 1HB ALA 28 1HB ALA 28 5.319 4.291 7.406 225 2HB ALA 28 2HB ALA 28 5.398 6.045 7.242 226 3HB ALA 28 3HB ALA 28 6.563 5.027 6.395 227 H GLU 29 H GLU 29 3.653 2.741 6.034 228 HA GLU 29 HA GLU 29 5.390 1.045 4.638 229 1HB GLU 29 2HB GLU 29 3.634 0.444 6.404 230 2HB GLU 29 1HB GLU 29 2.463 0.464 5.088 231 1HG GLU 29 2HG GLU 29 4.243 -1.094 3.901 232 2HG GLU 29 1HG GLU 29 4.749 -1.414 5.560 233 H GLN 30 H GLN 30 2.091 2.032 3.695 234 HA GLN 30 HA GLN 30 2.009 0.956 1.151 235 1HB GLN 30 2HB GLN 30 0.833 3.672 1.683 236 2HB GLN 30 1HB GLN 30 0.169 2.341 0.736 237 1HG GLN 30 2HG GLN 30 0.267 1.095 3.095 238 2HG GLN 30 1HG GLN 30 0.171 2.748 3.696 239 1HE2 GLN 30 1HE2 GLN 30 -1.709 0.138 2.566 240 2HE2 GLN 30 2HE2 GLN 30 -3.155 0.988 2.306 241 H GLN 31 H GLN 31 3.520 3.953 2.224 242 HA GLN 31 HA GLN 31 4.006 5.167 -0.249 243 1HB GLN 31 2HB GLN 31 4.393 6.137 2.070 244 2HB GLN 31 1HB GLN 31 5.910 5.238 2.094 245 1HG GLN 31 2HG GLN 31 6.548 6.367 -0.055 246 2HG GLN 31 1HG GLN 31 5.095 7.356 0.086 247 1HE2 GLN 31 1HE2 GLN 31 7.643 6.339 2.446 248 2HE2 GLN 31 2HE2 GLN 31 7.944 7.912 3.008 249 H LYS 32 H LYS 32 6.116 2.965 1.610 250 HA LYS 32 HA LYS 32 8.228 2.856 -0.232 251 1HB LYS 32 2HB LYS 32 8.401 2.002 2.068 252 2HB LYS 32 1HB LYS 32 7.277 0.701 1.673 253 1HG LYS 32 2HG LYS 32 8.810 -0.303 0.146 254 2HG LYS 32 1HG LYS 32 9.843 1.128 0.127 255 1HD LYS 32 2HD LYS 32 10.512 0.751 2.427 256 2HD LYS 32 1HD LYS 32 9.355 -0.571 2.591 257 1HE LYS 32 2HE LYS 32 10.574 -1.958 1.078 258 2HE LYS 32 1HE LYS 32 11.562 -0.608 0.523 259 1HZ LYS 32 1HZ LYS 32 11.737 -2.143 3.008 260 2HZ LYS 32 2HZ LYS 32 12.163 -0.499 3.056 261 3HZ LYS 32 3HZ LYS 32 12.976 -1.559 2.007 262 H LEU 33 H LEU 33 5.461 0.639 0.167 263 HA LEU 33 HA LEU 33 6.041 -1.104 -1.940 264 1HB LEU 33 2HB LEU 33 3.308 -0.236 -0.958 265 2HB LEU 33 1HB LEU 33 3.661 -1.693 -1.886 266 HG LEU 33 HG LEU 33 4.863 -1.073 0.831 267 1HD1 LEU 33 1HD1 LEU 33 2.449 -1.428 1.036 268 2HD1 LEU 33 2HD1 LEU 33 3.312 -2.834 1.657 269 3HD1 LEU 33 3HD1 LEU 33 2.560 -2.894 0.063 270 1HD2 LEU 33 1HD2 LEU 33 4.954 -3.444 -1.047 271 2HD2 LEU 33 2HD2 LEU 33 5.305 -3.611 0.673 272 3HD2 LEU 33 3HD2 LEU 33 6.306 -2.565 -0.332 273 H ARG 34 H ARG 34 4.303 1.976 -1.925 274 HA ARG 34 HA ARG 34 3.492 1.873 -4.664 275 1HB ARG 34 2HB ARG 34 3.615 4.004 -2.555 276 2HB ARG 34 1HB ARG 34 3.295 4.446 -4.232 277 1HG ARG 34 2HG ARG 34 1.311 3.152 -4.315 278 2HG ARG 34 1HG ARG 34 1.736 2.255 -2.857 279 1HD ARG 34 2HD ARG 34 -0.036 4.129 -2.636 280 2HD ARG 34 1HD ARG 34 1.260 4.082 -1.445 281 HE ARG 34 HE ARG 34 2.128 5.732 -3.525 282 1HH1 ARG 34 1HH2 ARG 34 -0.418 5.604 -1.177 283 2HH1 ARG 34 2HH2 ARG 34 -0.564 7.325 -1.045 284 1HH2 ARG 34 1HH1 ARG 34 1.941 7.981 -3.347 285 2HH2 ARG 34 2HH1 ARG 34 0.772 8.670 -2.271 286 H GLN 35 H GLN 35 6.313 3.124 -2.969 287 HA GLN 35 HA GLN 35 7.407 4.701 -5.018 288 1HB GLN 35 2HB GLN 35 8.128 4.412 -2.528 289 2HB GLN 35 1HB GLN 35 9.131 3.101 -3.146 290 1HG GLN 35 2HG GLN 35 10.624 4.840 -3.401 291 2HG GLN 35 1HG GLN 35 9.792 4.965 -4.949 292 1HE2 GLN 35 1HE2 GLN 35 10.926 6.932 -2.611 293 2HE2 GLN 35 2HE2 GLN 35 9.754 8.159 -2.639 294 H GLU 36 H GLU 36 8.001 1.276 -4.209 295 HA GLU 36 HA GLU 36 9.795 0.774 -6.344 296 1HB GLU 36 2HB GLU 36 9.428 -0.653 -4.272 297 2HB GLU 36 1HB GLU 36 7.966 -1.256 -5.052 298 1HG GLU 36 2HG GLU 36 9.353 -1.960 -7.011 299 2HG GLU 36 1HG GLU 36 10.794 -1.458 -6.128 300 H TYR 37 H TYR 37 6.289 0.351 -6.006 301 HA TYR 37 HA TYR 37 5.721 -0.912 -8.419 302 1HB TYR 37 2HB TYR 37 4.092 -0.471 -6.562 303 2HB TYR 37 1HB TYR 37 4.012 1.208 -7.096 304 HD1 TYR 37 HD1 TYR 37 3.126 -2.268 -7.894 305 HD2 TYR 37 HD2 TYR 37 3.006 1.805 -9.259 306 HE1 TYR 37 HE1 TYR 37 1.463 -2.895 -9.623 307 HE2 TYR 37 HE2 TYR 37 1.344 1.176 -10.987 308 HH TYR 37 HH TYR 37 -0.121 -0.461 -11.620 309 H LEU 38 H LEU 38 5.826 2.583 -7.729 310 HA LEU 38 HA LEU 38 5.209 3.502 -10.300 311 1HB LEU 38 2HB LEU 38 6.427 4.621 -7.859 312 2HB LEU 38 1HB LEU 38 6.915 5.425 -9.349 313 HG LEU 38 HG LEU 38 4.837 6.378 -8.251 314 1HD1 LEU 38 1HD1 LEU 38 4.771 7.119 -10.393 315 2HD1 LEU 38 2HD1 LEU 38 3.515 5.904 -10.614 316 3HD1 LEU 38 3HD1 LEU 38 5.182 5.538 -11.054 317 1HD2 LEU 38 1HD2 LEU 38 3.366 4.011 -9.385 318 2HD2 LEU 38 2HD2 LEU 38 2.843 5.159 -8.154 319 3HD2 LEU 38 3HD2 LEU 38 4.033 3.920 -7.755 320 H LYS 39 H LYS 39 8.340 2.703 -8.841 321 HA LYS 39 HA LYS 39 9.939 3.491 -11.044 322 1HB LYS 39 2HB LYS 39 10.777 3.079 -8.718 323 2HB LYS 39 1HB LYS 39 10.556 1.351 -8.993 324 1HG LYS 39 2HG LYS 39 12.211 1.292 -10.687 325 2HG LYS 39 1HG LYS 39 12.202 3.046 -10.874 326 1HD LYS 39 2HD LYS 39 13.182 3.320 -8.649 327 2HD LYS 39 1HD LYS 39 13.118 1.578 -8.383 328 1HE LYS 39 2HE LYS 39 14.610 2.778 -10.720 329 2HE LYS 39 1HE LYS 39 15.374 2.540 -9.148 330 1HZ LYS 39 1HZ LYS 39 15.542 0.680 -10.884 331 2HZ LYS 39 2HZ LYS 39 13.933 0.332 -10.468 332 3HZ LYS 39 3HZ LYS 39 15.153 0.257 -9.289 333 H GLY 40 H GLY 40 8.137 0.592 -10.304 334 1HA GLY 40 2HA GLY 40 9.348 -0.928 -12.483 335 2HA GLY 40 1HA GLY 40 8.117 -1.502 -11.363 336 H PHE 41 H PHE 41 7.114 1.471 -12.352 337 HA PHE 41 HA PHE 41 4.967 0.457 -13.903 338 1HB PHE 41 2HB PHE 41 5.034 2.609 -12.513 339 2HB PHE 41 1HB PHE 41 5.858 3.340 -13.889 340 HD1 PHE 41 HD1 PHE 41 4.648 4.024 -15.821 341 HD2 PHE 41 HD2 PHE 41 2.760 1.522 -12.880 342 HE1 PHE 41 HE1 PHE 41 2.466 4.332 -16.957 343 HE2 PHE 41 HE2 PHE 41 0.579 1.832 -14.018 344 HZ PHE 41 HZ PHE 41 0.432 3.236 -16.056 345 H ARG 42 H ARG 42 7.193 2.985 -15.054 346 HA ARG 42 HA ARG 42 6.783 2.384 -17.782 347 1HB ARG 42 2HB ARG 42 7.580 4.576 -16.797 348 2HB ARG 42 1HB ARG 42 9.171 3.836 -16.630 349 1HG ARG 42 2HG ARG 42 8.615 3.201 -19.217 350 2HG ARG 42 1HG ARG 42 7.740 4.725 -19.075 351 1HD ARG 42 2HD ARG 42 10.675 4.255 -18.492 352 2HD ARG 42 1HD ARG 42 9.999 5.207 -19.811 353 HE ARG 42 HE ARG 42 8.993 6.353 -17.510 354 1HH1 ARG 42 1HH2 ARG 42 12.122 5.614 -18.803 355 2HH1 ARG 42 2HH2 ARG 42 12.907 6.950 -18.029 356 1HH2 ARG 42 1HH1 ARG 42 10.019 8.104 -16.497 357 2HH2 ARG 42 2HH1 ARG 42 11.716 8.360 -16.727 Start of MODEL 4 1 1H MET 1 1HT MET 1 -9.802 -7.485 -14.882 2 2H MET 1 2HT MET 1 -11.000 -8.151 -13.878 3 3H MET 1 3HT MET 1 -9.876 -9.163 -14.651 4 HA MET 1 HA MET 1 -9.588 -7.552 -12.247 5 1HB MET 1 2HB MET 1 -7.922 -9.919 -13.062 6 2HB MET 1 1HB MET 1 -8.477 -9.448 -11.456 7 1HG MET 1 2HG MET 1 -10.861 -9.912 -12.381 8 2HG MET 1 1HG MET 1 -10.029 -10.794 -13.663 9 1HE MET 1 1HE MET 1 -10.828 -13.975 -11.946 10 2HE MET 1 2HE MET 1 -10.468 -13.129 -13.450 11 3HE MET 1 3HE MET 1 -11.839 -12.621 -12.467 12 H ILE 2 H ILE 2 -6.777 -8.323 -12.030 13 HA ILE 2 HA ILE 2 -5.509 -6.570 -14.041 14 HB ILE 2 HB ILE 2 -5.928 -5.294 -11.933 15 1HG1 ILE 2 2HG1 ILE 2 -2.977 -5.661 -11.933 16 2HG1 ILE 2 1HG1 ILE 2 -3.702 -5.303 -13.502 17 1HG2 ILE 2 1HG2 ILE 2 -3.901 -7.140 -10.655 18 2HG2 ILE 2 2HG2 ILE 2 -5.636 -7.406 -10.488 19 3HG2 ILE 2 3HG2 ILE 2 -4.909 -5.920 -9.878 20 1HD1 ILE 2 1HD1 ILE 2 -4.654 -3.265 -12.709 21 2HD1 ILE 2 2HD1 ILE 2 -2.995 -3.283 -12.107 22 3HD1 ILE 2 3HD1 ILE 2 -4.328 -3.685 -11.026 23 H SER 3 H SER 3 -5.495 -9.384 -12.109 24 HA SER 3 HA SER 3 -4.168 -11.260 -12.167 25 1HB SER 3 2HB SER 3 -2.269 -9.910 -14.070 26 2HB SER 3 1HB SER 3 -2.646 -11.621 -13.912 27 HG SER 3 HG SER 3 -3.702 -10.754 -15.711 28 H ASN 4 H ASN 4 -2.378 -8.195 -12.214 29 HA ASN 4 HA ASN 4 -0.120 -9.078 -10.774 30 1HB ASN 4 2HB ASN 4 -1.175 -6.273 -10.548 31 2HB ASN 4 1HB ASN 4 0.494 -6.827 -10.616 32 1HD2 ASN 4 1HD2 ASN 4 -0.184 -8.680 -12.947 33 2HD2 ASN 4 2HD2 ASN 4 -0.307 -7.644 -14.284 34 H ALA 5 H ALA 5 -0.256 -10.034 -8.845 35 HA ALA 5 HA ALA 5 -2.334 -9.667 -6.962 36 1HB ALA 5 1HB ALA 5 0.470 -10.627 -6.352 37 2HB ALA 5 2HB ALA 5 -0.755 -11.642 -7.112 38 3HB ALA 5 3HB ALA 5 -1.015 -11.017 -5.484 39 H LYS 6 H LYS 6 0.098 -7.592 -7.864 40 HA LYS 6 HA LYS 6 0.880 -6.451 -5.381 41 1HB LYS 6 2HB LYS 6 0.864 -5.335 -8.196 42 2HB LYS 6 1HB LYS 6 1.597 -4.521 -6.813 43 1HG LYS 6 2HG LYS 6 3.463 -5.669 -7.480 44 2HG LYS 6 1HG LYS 6 2.723 -6.978 -6.558 45 1HD LYS 6 2HD LYS 6 1.575 -7.724 -8.674 46 2HD LYS 6 1HD LYS 6 2.511 -6.513 -9.548 47 1HE LYS 6 2HE LYS 6 3.958 -8.451 -7.772 48 2HE LYS 6 1HE LYS 6 3.399 -8.998 -9.352 49 1HZ LYS 6 1HZ LYS 6 4.765 -7.546 -10.444 50 2HZ LYS 6 2HZ LYS 6 5.724 -7.903 -9.090 51 3HZ LYS 6 3HZ LYS 6 4.844 -6.451 -9.152 52 H ILE 7 H ILE 7 -1.302 -5.165 -7.906 53 HA ILE 7 HA ILE 7 -2.327 -3.037 -6.420 54 HB ILE 7 HB ILE 7 -3.428 -4.637 -8.724 55 1HG1 ILE 7 2HG1 ILE 7 -3.209 -2.200 -9.683 56 2HG1 ILE 7 1HG1 ILE 7 -2.166 -1.936 -8.286 57 1HG2 ILE 7 1HG2 ILE 7 -5.459 -3.995 -7.726 58 2HG2 ILE 7 2HG2 ILE 7 -5.123 -2.640 -8.803 59 3HG2 ILE 7 3HG2 ILE 7 -4.780 -2.502 -7.079 60 1HD1 ILE 7 1HD1 ILE 7 -0.636 -3.628 -8.984 61 2HD1 ILE 7 2HD1 ILE 7 -1.005 -2.702 -10.438 62 3HD1 ILE 7 3HD1 ILE 7 -1.772 -4.268 -10.174 63 H ALA 8 H ALA 8 -3.685 -6.314 -6.845 64 HA ALA 8 HA ALA 8 -5.950 -6.013 -5.244 65 1HB ALA 8 1HB ALA 8 -5.899 -8.463 -5.003 66 2HB ALA 8 2HB ALA 8 -4.244 -8.489 -5.610 67 3HB ALA 8 3HB ALA 8 -5.561 -7.979 -6.665 68 H ARG 9 H ARG 9 -2.651 -6.968 -4.337 69 HA ARG 9 HA ARG 9 -3.153 -7.500 -1.614 70 1HB ARG 9 2HB ARG 9 -1.087 -8.228 -2.644 71 2HB ARG 9 1HB ARG 9 -0.639 -6.567 -3.021 72 1HG ARG 9 2HG ARG 9 0.560 -7.376 -1.020 73 2HG ARG 9 1HG ARG 9 -0.517 -6.040 -0.614 74 1HD ARG 9 2HD ARG 9 -0.558 -8.069 0.960 75 2HD ARG 9 1HD ARG 9 -2.115 -7.487 0.381 76 HE ARG 9 HE ARG 9 -2.357 -9.461 -0.841 77 1HH1 ARG 9 1HH2 ARG 9 0.880 -9.120 0.360 78 2HH1 ARG 9 2HH2 ARG 9 1.343 -10.739 -0.047 79 1HH2 ARG 9 1HH1 ARG 9 -1.750 -11.583 -1.361 80 2HH2 ARG 9 2HH1 ARG 9 -0.144 -12.131 -1.013 81 H ILE 10 H ILE 10 -1.434 -4.648 -2.897 82 HA ILE 10 HA ILE 10 -1.554 -3.077 -0.620 83 HB ILE 10 HB ILE 10 -1.500 -2.297 -3.541 84 1HG1 ILE 10 2HG1 ILE 10 0.700 -2.062 -1.485 85 2HG1 ILE 10 1HG1 ILE 10 0.412 -3.586 -2.324 86 1HG2 ILE 10 1HG2 ILE 10 -1.336 -0.603 -1.040 87 2HG2 ILE 10 2HG2 ILE 10 -2.364 -0.362 -2.452 88 3HG2 ILE 10 3HG2 ILE 10 -0.628 -0.081 -2.570 89 1HD1 ILE 10 1HD1 ILE 10 0.910 -0.928 -3.700 90 2HD1 ILE 10 2HD1 ILE 10 0.723 -2.495 -4.490 91 3HD1 ILE 10 3HD1 ILE 10 2.125 -2.186 -3.468 92 H ASN 11 H ASN 11 -3.924 -3.327 -3.250 93 HA ASN 11 HA ASN 11 -5.660 -1.274 -2.451 94 1HB ASN 11 2HB ASN 11 -5.929 -2.298 -4.610 95 2HB ASN 11 1HB ASN 11 -6.202 -3.881 -3.884 96 1HD2 ASN 11 1HD2 ASN 11 -8.377 -4.399 -4.073 97 2HD2 ASN 11 2HD2 ASN 11 -9.661 -3.315 -3.835 98 H GLU 12 H GLU 12 -5.782 -4.755 -1.688 99 HA GLU 12 HA GLU 12 -8.027 -4.683 -0.010 100 1HB GLU 12 2HB GLU 12 -7.137 -6.781 -0.838 101 2HB GLU 12 1HB GLU 12 -5.617 -6.519 0.012 102 1HG GLU 12 2HG GLU 12 -8.190 -6.527 1.564 103 2HG GLU 12 1HG GLU 12 -7.471 -8.060 1.080 104 H LEU 13 H LEU 13 -4.569 -4.346 0.740 105 HA LEU 13 HA LEU 13 -4.789 -4.132 3.533 106 1HB LEU 13 2HB LEU 13 -2.705 -4.245 1.846 107 2HB LEU 13 1HB LEU 13 -2.720 -2.507 2.135 108 HG LEU 13 HG LEU 13 -2.663 -4.633 4.301 109 1HD1 LEU 13 1HD1 LEU 13 -0.496 -2.750 3.316 110 2HD1 LEU 13 2HD1 LEU 13 -0.548 -4.489 3.020 111 3HD1 LEU 13 3HD1 LEU 13 -0.346 -3.879 4.663 112 1HD2 LEU 13 1HD2 LEU 13 -3.682 -2.774 5.297 113 2HD2 LEU 13 2HD2 LEU 13 -2.787 -1.623 4.303 114 3HD2 LEU 13 3HD2 LEU 13 -1.977 -2.468 5.622 115 H ALA 14 H ALA 14 -4.644 -1.573 1.057 116 HA ALA 14 HA ALA 14 -4.808 0.652 2.704 117 1HB ALA 14 1HB ALA 14 -5.861 1.782 0.716 118 2HB ALA 14 2HB ALA 14 -5.913 0.206 -0.074 119 3HB ALA 14 3HB ALA 14 -4.361 0.923 0.361 120 H ALA 15 H ALA 15 -7.553 -0.944 1.055 121 HA ALA 15 HA ALA 15 -9.566 0.578 2.308 122 1HB ALA 15 1HB ALA 15 -9.593 -2.149 1.015 123 2HB ALA 15 2HB ALA 15 -10.143 -0.616 0.338 124 3HB ALA 15 3HB ALA 15 -11.052 -1.380 1.643 125 H LYS 16 H LYS 16 -7.995 -2.437 3.260 126 HA LYS 16 HA LYS 16 -9.736 -3.139 5.369 127 1HB LYS 16 2HB LYS 16 -7.980 -4.636 4.366 128 2HB LYS 16 1HB LYS 16 -6.761 -3.698 5.231 129 1HG LYS 16 2HG LYS 16 -8.220 -4.186 7.337 130 2HG LYS 16 1HG LYS 16 -8.932 -5.464 6.352 131 1HD LYS 16 2HD LYS 16 -6.770 -6.506 6.026 132 2HD LYS 16 1HD LYS 16 -5.951 -5.156 6.810 133 1HE LYS 16 2HE LYS 16 -6.158 -7.017 8.386 134 2HE LYS 16 1HE LYS 16 -7.174 -5.677 8.918 135 1HZ LYS 16 1HZ LYS 16 -8.198 -7.897 7.247 136 2HZ LYS 16 2HZ LYS 16 -9.093 -6.737 8.107 137 3HZ LYS 16 3HZ LYS 16 -8.232 -7.940 8.942 138 H ALA 17 H ALA 17 -6.539 -1.570 5.504 139 HA ALA 17 HA ALA 17 -6.606 -0.858 8.208 140 1HB ALA 17 1HB ALA 17 -5.305 0.927 6.177 141 2HB ALA 17 2HB ALA 17 -4.682 -0.703 6.432 142 3HB ALA 17 3HB ALA 17 -4.725 0.443 7.771 143 H LYS 18 H LYS 18 -8.173 0.516 5.418 144 HA LYS 18 HA LYS 18 -8.710 3.104 6.458 145 1HB LYS 18 2HB LYS 18 -9.098 2.050 4.048 146 2HB LYS 18 1HB LYS 18 -10.711 1.751 4.692 147 1HG LYS 18 2HG LYS 18 -9.308 4.441 4.612 148 2HG LYS 18 1HG LYS 18 -10.629 3.934 3.559 149 1HD LYS 18 2HD LYS 18 -11.976 3.533 5.714 150 2HD LYS 18 1HD LYS 18 -10.710 4.445 6.538 151 1HE LYS 18 2HE LYS 18 -11.101 6.300 4.843 152 2HE LYS 18 1HE LYS 18 -12.531 5.410 4.321 153 1HZ LYS 18 1HZ LYS 18 -13.414 6.767 5.916 154 2HZ LYS 18 2HZ LYS 18 -12.010 6.764 6.873 155 3HZ LYS 18 3HZ LYS 18 -13.037 5.411 6.862 156 H ALA 19 H ALA 19 -10.927 0.313 6.200 157 HA ALA 19 HA ALA 19 -12.789 1.422 8.078 158 1HB ALA 19 1HB ALA 19 -12.651 -1.480 7.279 159 2HB ALA 19 2HB ALA 19 -13.257 -0.250 6.173 160 3HB ALA 19 3HB ALA 19 -14.068 -0.525 7.715 161 H GLY 20 H GLY 20 -9.777 0.217 8.554 162 1HA GLY 20 2HA GLY 20 -10.410 -1.199 11.058 163 2HA GLY 20 1HA GLY 20 -8.852 -1.194 10.239 164 H VAL 21 H VAL 21 -7.670 0.892 10.198 165 HA VAL 21 HA VAL 21 -8.383 2.892 12.177 166 HB VAL 21 HB VAL 21 -6.093 2.577 13.319 167 1HG1 VAL 21 1HG1 VAL 21 -7.066 1.259 15.009 168 2HG1 VAL 21 2HG1 VAL 21 -7.991 0.300 13.855 169 3HG1 VAL 21 3HG1 VAL 21 -8.464 1.964 14.197 170 1HG2 VAL 21 1HG2 VAL 21 -5.257 0.936 11.623 171 2HG2 VAL 21 2HG2 VAL 21 -6.465 -0.216 12.190 172 3HG2 VAL 21 3HG2 VAL 21 -5.177 0.317 13.272 173 H ILE 22 H ILE 22 -6.041 1.579 9.907 174 HA ILE 22 HA ILE 22 -4.369 2.542 8.664 175 HB ILE 22 HB ILE 22 -6.190 3.009 7.212 176 1HG1 ILE 22 2HG1 ILE 22 -5.482 5.106 6.155 177 2HG1 ILE 22 1HG1 ILE 22 -4.642 5.586 7.624 178 1HG2 ILE 22 1HG2 ILE 22 -7.757 3.968 8.846 179 2HG2 ILE 22 2HG2 ILE 22 -7.605 5.021 7.442 180 3HG2 ILE 22 3HG2 ILE 22 -6.778 5.431 8.942 181 1HD1 ILE 22 1HD1 ILE 22 -3.234 4.506 5.745 182 2HD1 ILE 22 2HD1 ILE 22 -3.994 2.990 6.226 183 3HD1 ILE 22 3HD1 ILE 22 -3.011 3.889 7.382 184 H THR 23 H THR 23 -2.736 3.150 9.947 185 HA THR 23 HA THR 23 -2.799 5.864 11.116 186 HB THR 23 HB THR 23 -1.019 5.087 12.611 187 HG1 THR 23 HG1 THR 23 -0.044 3.244 12.289 188 1HG2 THR 23 1HG2 THR 23 -3.115 4.719 13.587 189 2HG2 THR 23 2HG2 THR 23 -2.381 3.118 13.663 190 3HG2 THR 23 3HG2 THR 23 -3.560 3.489 12.405 191 H GLU 24 H GLU 24 -0.752 7.069 11.079 192 HA GLU 24 HA GLU 24 0.263 7.464 8.523 193 1HB GLU 24 2HB GLU 24 0.491 8.861 10.766 194 2HB GLU 24 1HB GLU 24 2.031 8.011 10.879 195 1HG GLU 24 2HG GLU 24 1.111 9.611 8.468 196 2HG GLU 24 1HG GLU 24 2.232 10.197 9.694 197 H GLU 25 H GLU 25 1.539 5.462 11.156 198 HA GLU 25 HA GLU 25 3.981 4.705 10.049 199 1HB GLU 25 2HB GLU 25 3.120 4.189 12.374 200 2HB GLU 25 1HB GLU 25 2.174 2.888 11.652 201 1HG GLU 25 2HG GLU 25 4.357 2.033 10.647 202 2HG GLU 25 1HG GLU 25 5.187 3.179 11.695 203 H GLU 26 H GLU 26 0.868 2.961 9.846 204 HA GLU 26 HA GLU 26 1.771 0.994 8.023 205 1HB GLU 26 2HB GLU 26 -0.960 2.023 8.786 206 2HB GLU 26 1HB GLU 26 -0.759 0.799 7.530 207 1HG GLU 26 2HG GLU 26 0.224 -0.749 9.044 208 2HG GLU 26 1HG GLU 26 0.491 0.494 10.265 209 H LYS 27 H LYS 27 0.039 4.060 7.546 210 HA LYS 27 HA LYS 27 -0.370 3.949 4.797 211 1HB LYS 27 2HB LYS 27 -1.067 5.738 6.594 212 2HB LYS 27 1HB LYS 27 0.426 6.533 6.099 213 1HG LYS 27 2HG LYS 27 -0.335 6.509 3.751 214 2HG LYS 27 1HG LYS 27 -1.828 5.706 4.240 215 1HD LYS 27 2HD LYS 27 -0.983 8.344 5.449 216 2HD LYS 27 1HD LYS 27 -1.912 8.271 3.952 217 1HE LYS 27 2HE LYS 27 -3.605 6.844 5.172 218 2HE LYS 27 1HE LYS 27 -2.722 7.179 6.662 219 1HZ LYS 27 1HZ LYS 27 -4.511 8.736 6.428 220 2HZ LYS 27 2HZ LYS 27 -3.994 9.176 4.870 221 3HZ LYS 27 3HZ LYS 27 -3.044 9.563 6.224 222 H ALA 28 H ALA 28 2.469 5.114 6.589 223 HA ALA 28 HA ALA 28 3.956 6.011 4.373 224 1HB ALA 28 1HB ALA 28 4.696 6.674 6.529 225 2HB ALA 28 2HB ALA 28 5.944 5.589 5.918 226 3HB ALA 28 3HB ALA 28 4.773 5.008 7.101 227 H GLU 29 H GLU 29 3.739 2.840 5.929 228 HA GLU 29 HA GLU 29 5.798 1.541 4.546 229 1HB GLU 29 2HB GLU 29 4.309 0.745 6.540 230 2HB GLU 29 1HB GLU 29 3.259 0.113 5.274 231 1HG GLU 29 2HG GLU 29 4.799 -1.644 5.907 232 2HG GLU 29 1HG GLU 29 5.249 -1.075 4.301 233 H GLN 30 H GLN 30 2.318 1.103 3.879 234 HA GLN 30 HA GLN 30 2.554 -0.129 1.416 235 1HB GLN 30 2HB GLN 30 0.255 0.745 0.955 236 2HB GLN 30 1HB GLN 30 0.419 -0.023 2.532 237 1HG GLN 30 2HG GLN 30 0.647 2.168 3.602 238 2HG GLN 30 1HG GLN 30 0.569 2.965 2.033 239 1HE2 GLN 30 1HE2 GLN 30 -1.543 1.411 0.851 240 2HE2 GLN 30 2HE2 GLN 30 -2.971 1.721 1.711 241 H GLN 31 H GLN 31 2.674 3.310 2.170 242 HA GLN 31 HA GLN 31 2.425 4.353 -0.420 243 1HB GLN 31 2HB GLN 31 2.395 5.690 1.691 244 2HB GLN 31 1HB GLN 31 4.139 5.464 1.813 245 1HG GLN 31 2HG GLN 31 4.494 6.614 -0.292 246 2HG GLN 31 1HG GLN 31 2.758 6.704 -0.583 247 1HE2 GLN 31 1HE2 GLN 31 5.293 8.587 0.417 248 2HE2 GLN 31 2HE2 GLN 31 4.459 9.676 1.417 249 H LYS 32 H LYS 32 5.241 3.107 1.315 250 HA LYS 32 HA LYS 32 7.231 3.888 -0.512 251 1HB LYS 32 2HB LYS 32 7.595 2.956 1.804 252 2HB LYS 32 1HB LYS 32 7.240 1.359 1.146 253 1HG LYS 32 2HG LYS 32 9.148 1.362 -0.231 254 2HG LYS 32 1HG LYS 32 9.328 3.114 -0.140 255 1HD LYS 32 2HD LYS 32 9.524 1.499 2.384 256 2HD LYS 32 1HD LYS 32 10.904 1.545 1.289 257 1HE LYS 32 2HE LYS 32 9.511 4.048 2.268 258 2HE LYS 32 1HE LYS 32 10.894 3.335 3.099 259 1HZ LYS 32 1HZ LYS 32 10.959 4.005 0.218 260 2HZ LYS 32 2HZ LYS 32 12.266 3.681 1.251 261 3HZ LYS 32 3HZ LYS 32 11.390 5.127 1.414 262 H LEU 33 H LEU 33 5.397 0.836 -0.269 263 HA LEU 33 HA LEU 33 6.541 -0.513 -2.426 264 1HB LEU 33 2HB LEU 33 3.748 -0.612 -1.280 265 2HB LEU 33 1HB LEU 33 4.301 -1.707 -2.547 266 HG LEU 33 HG LEU 33 5.678 -1.369 0.136 267 1HD1 LEU 33 1HD1 LEU 33 3.638 -3.361 -0.865 268 2HD1 LEU 33 2HD1 LEU 33 3.588 -2.397 0.612 269 3HD1 LEU 33 3HD1 LEU 33 4.728 -3.736 0.468 270 1HD2 LEU 33 1HD2 LEU 33 6.485 -3.760 -0.796 271 2HD2 LEU 33 2HD2 LEU 33 7.334 -2.269 -1.198 272 3HD2 LEU 33 3HD2 LEU 33 6.185 -2.964 -2.341 273 H ARG 34 H ARG 34 3.743 1.680 -2.375 274 HA ARG 34 HA ARG 34 2.943 1.484 -5.028 275 1HB ARG 34 2HB ARG 34 1.764 2.763 -3.229 276 2HB ARG 34 1HB ARG 34 2.996 4.015 -3.367 277 1HG ARG 34 2HG ARG 34 1.304 4.821 -4.774 278 2HG ARG 34 1HG ARG 34 2.377 4.003 -5.908 279 1HD ARG 34 2HD ARG 34 0.963 2.032 -5.908 280 2HD ARG 34 1HD ARG 34 -0.048 2.708 -4.635 281 HE ARG 34 HE ARG 34 -0.197 4.571 -6.630 282 1HH1 ARG 34 1HH2 ARG 34 -0.683 1.146 -6.425 283 2HH1 ARG 34 2HH2 ARG 34 -1.877 1.103 -7.680 284 1HH2 ARG 34 1HH1 ARG 34 -1.762 4.516 -8.275 285 2HH2 ARG 34 2HH1 ARG 34 -2.483 3.009 -8.728 286 H GLN 35 H GLN 35 5.189 3.879 -3.637 287 HA GLN 35 HA GLN 35 5.967 5.029 -6.096 288 1HB GLN 35 2HB GLN 35 6.305 6.170 -3.964 289 2HB GLN 35 1HB GLN 35 7.431 4.913 -3.447 290 1HG GLN 35 2HG GLN 35 9.038 5.529 -5.091 291 2HG GLN 35 1HG GLN 35 7.870 6.511 -5.975 292 1HE2 GLN 35 1HE2 GLN 35 9.540 6.350 -2.787 293 2HE2 GLN 35 2HE2 GLN 35 9.557 8.031 -2.550 294 H GLU 36 H GLU 36 7.285 2.346 -4.208 295 HA GLU 36 HA GLU 36 9.683 1.991 -5.663 296 1HB GLU 36 2HB GLU 36 8.985 0.977 -3.400 297 2HB GLU 36 1HB GLU 36 8.156 -0.251 -4.355 298 1HG GLU 36 2HG GLU 36 10.443 -0.443 -5.618 299 2HG GLU 36 1HG GLU 36 11.102 0.337 -4.182 300 H TYR 37 H TYR 37 6.470 0.513 -6.019 301 HA TYR 37 HA TYR 37 7.020 -1.338 -8.011 302 1HB TYR 37 2HB TYR 37 4.853 -1.192 -6.860 303 2HB TYR 37 1HB TYR 37 4.511 0.327 -7.688 304 HD1 TYR 37 HD1 TYR 37 5.368 -3.260 -8.343 305 HD2 TYR 37 HD2 TYR 37 3.485 0.315 -9.808 306 HE1 TYR 37 HE1 TYR 37 4.491 -4.518 -10.289 307 HE2 TYR 37 HE2 TYR 37 2.608 -0.948 -11.755 308 HH TYR 37 HH TYR 37 3.654 -3.452 -12.939 309 H LEU 38 H LEU 38 6.556 2.141 -8.272 310 HA LEU 38 HA LEU 38 6.187 2.351 -11.047 311 1HB LEU 38 2HB LEU 38 7.745 4.333 -9.379 312 2HB LEU 38 1HB LEU 38 6.790 4.649 -10.826 313 HG LEU 38 HG LEU 38 5.722 3.753 -8.133 314 1HD1 LEU 38 1HD1 LEU 38 6.395 6.135 -8.264 315 2HD1 LEU 38 2HD1 LEU 38 4.647 5.958 -8.109 316 3HD1 LEU 38 3HD1 LEU 38 5.360 6.338 -9.677 317 1HD2 LEU 38 1HD2 LEU 38 3.499 4.340 -9.408 318 2HD2 LEU 38 2HD2 LEU 38 4.240 2.759 -9.653 319 3HD2 LEU 38 3HD2 LEU 38 4.462 4.033 -10.853 320 H LYS 39 H LYS 39 9.212 2.502 -9.154 321 HA LYS 39 HA LYS 39 10.931 2.712 -11.403 322 1HB LYS 39 2HB LYS 39 11.615 3.301 -9.094 323 2HB LYS 39 1HB LYS 39 11.537 1.595 -8.651 324 1HG LYS 39 2HG LYS 39 13.366 1.026 -10.031 325 2HG LYS 39 1HG LYS 39 13.223 2.505 -10.982 326 1HD LYS 39 2HD LYS 39 15.147 2.663 -9.468 327 2HD LYS 39 1HD LYS 39 13.911 3.829 -8.997 328 1HE LYS 39 2HE LYS 39 13.813 1.111 -7.751 329 2HE LYS 39 1HE LYS 39 15.060 2.228 -7.196 330 1HZ LYS 39 1HZ LYS 39 12.836 3.772 -7.299 331 2HZ LYS 39 2HZ LYS 39 13.472 3.056 -5.896 332 3HZ LYS 39 3HZ LYS 39 12.224 2.287 -6.754 333 H GLY 40 H GLY 40 9.563 0.004 -9.631 334 1HA GLY 40 2HA GLY 40 11.110 -1.992 -11.047 335 2HA GLY 40 1HA GLY 40 9.807 -2.292 -9.901 336 H PHE 41 H PHE 41 8.790 -0.010 -12.103 337 HA PHE 41 HA PHE 41 8.100 -1.594 -14.358 338 1HB PHE 41 2HB PHE 41 6.612 -2.483 -12.375 339 2HB PHE 41 1HB PHE 41 5.685 -1.015 -12.670 340 HD1 PHE 41 HD1 PHE 41 4.264 -0.804 -14.569 341 HD2 PHE 41 HD2 PHE 41 6.996 -4.107 -14.280 342 HE1 PHE 41 HE1 PHE 41 3.177 -1.874 -16.523 343 HE2 PHE 41 HE2 PHE 41 5.909 -5.176 -16.236 344 HZ PHE 41 HZ PHE 41 4.000 -4.059 -17.357 345 H ARG 42 H ARG 42 8.722 0.232 -15.495 346 HA ARG 42 HA ARG 42 7.202 2.715 -15.051 347 1HB ARG 42 2HB ARG 42 9.798 2.584 -15.234 348 2HB ARG 42 1HB ARG 42 9.499 2.446 -16.967 349 1HG ARG 42 2HG ARG 42 8.014 4.522 -16.726 350 2HG ARG 42 1HG ARG 42 8.724 4.714 -15.123 351 1HD ARG 42 2HD ARG 42 11.003 4.489 -16.384 352 2HD ARG 42 1HD ARG 42 10.058 4.895 -17.813 353 HE ARG 42 HE ARG 42 9.431 6.778 -15.840 354 1HH1 ARG 42 1HH2 ARG 42 12.159 5.719 -17.699 355 2HH1 ARG 42 2HH2 ARG 42 12.929 7.270 -17.700 356 1HH2 ARG 42 1HH1 ARG 42 10.439 8.803 -15.840 357 2HH2 ARG 42 2HH1 ARG 42 11.957 9.014 -16.646 Start of MODEL 5 1 1H MET 1 1HT MET 1 8.362 -9.959 -12.825 2 2H MET 1 2HT MET 1 7.509 -11.327 -12.290 3 3H MET 1 3HT MET 1 9.197 -11.250 -12.109 4 HA MET 1 HA MET 1 8.573 -10.710 -10.002 5 1HB MET 1 2HB MET 1 8.247 -7.985 -11.269 6 2HB MET 1 1HB MET 1 8.972 -8.386 -9.714 7 1HG MET 1 2HG MET 1 10.098 -8.969 -12.467 8 2HG MET 1 1HG MET 1 10.777 -7.908 -11.234 9 1HE MET 1 1HE MET 1 13.423 -9.570 -10.950 10 2HE MET 1 2HE MET 1 12.508 -9.290 -12.429 11 3HE MET 1 3HE MET 1 13.008 -10.926 -12.007 12 H ILE 2 H ILE 2 6.323 -9.384 -12.385 13 HA ILE 2 HA ILE 2 4.275 -8.765 -10.461 14 HB ILE 2 HB ILE 2 4.357 -8.891 -13.474 15 1HG1 ILE 2 2HG1 ILE 2 5.365 -6.984 -12.023 16 2HG1 ILE 2 1HG1 ILE 2 4.305 -6.539 -13.357 17 1HG2 ILE 2 1HG2 ILE 2 2.124 -9.575 -12.988 18 2HG2 ILE 2 2HG2 ILE 2 2.026 -7.842 -13.299 19 3HG2 ILE 2 3HG2 ILE 2 1.991 -8.443 -11.642 20 1HD1 ILE 2 1HD1 ILE 2 2.553 -5.941 -11.950 21 2HD1 ILE 2 2HD1 ILE 2 3.938 -5.492 -10.954 22 3HD1 ILE 2 3HD1 ILE 2 3.091 -7.008 -10.655 23 H SER 3 H SER 3 2.337 -9.853 -10.125 24 HA SER 3 HA SER 3 1.841 -12.437 -11.347 25 1HB SER 3 2HB SER 3 2.645 -12.184 -8.445 26 2HB SER 3 1HB SER 3 1.746 -13.565 -9.071 27 HG SER 3 HG SER 3 4.387 -12.911 -9.330 28 H ASN 4 H ASN 4 0.696 -9.634 -10.579 29 HA ASN 4 HA ASN 4 -1.401 -8.776 -10.228 30 1HB ASN 4 2HB ASN 4 -2.503 -11.580 -10.156 31 2HB ASN 4 1HB ASN 4 -3.289 -10.102 -10.700 32 1HD2 ASN 4 1HD2 ASN 4 -0.675 -9.346 -12.167 33 2HD2 ASN 4 2HD2 ASN 4 -0.717 -10.289 -13.576 34 H ALA 5 H ALA 5 0.277 -10.605 -8.109 35 HA ALA 5 HA ALA 5 -1.670 -10.784 -5.969 36 1HB ALA 5 1HB ALA 5 1.327 -11.107 -5.759 37 2HB ALA 5 2HB ALA 5 0.262 -12.399 -6.314 38 3HB ALA 5 3HB ALA 5 0.091 -11.754 -4.681 39 H LYS 6 H LYS 6 0.759 -8.564 -7.094 40 HA LYS 6 HA LYS 6 1.098 -7.076 -4.689 41 1HB LYS 6 2HB LYS 6 2.530 -7.080 -6.870 42 2HB LYS 6 1HB LYS 6 1.375 -5.872 -7.433 43 1HG LYS 6 2HG LYS 6 1.870 -4.441 -5.524 44 2HG LYS 6 1HG LYS 6 2.917 -5.679 -4.827 45 1HD LYS 6 2HD LYS 6 4.383 -5.528 -6.835 46 2HD LYS 6 1HD LYS 6 3.368 -4.223 -7.450 47 1HE LYS 6 2HE LYS 6 4.286 -3.834 -4.670 48 2HE LYS 6 1HE LYS 6 5.580 -3.849 -5.869 49 1HZ LYS 6 1HZ LYS 6 3.950 -2.299 -7.149 50 2HZ LYS 6 2HZ LYS 6 4.944 -1.669 -5.923 51 3HZ LYS 6 3HZ LYS 6 3.310 -2.008 -5.605 52 H ILE 7 H ILE 7 -0.969 -6.655 -7.554 53 HA ILE 7 HA ILE 7 -2.201 -4.251 -6.844 54 HB ILE 7 HB ILE 7 -3.360 -6.617 -8.345 55 1HG1 ILE 7 2HG1 ILE 7 -2.205 -4.037 -9.441 56 2HG1 ILE 7 1HG1 ILE 7 -1.232 -5.493 -9.226 57 1HG2 ILE 7 1HG2 ILE 7 -5.191 -5.222 -7.660 58 2HG2 ILE 7 2HG2 ILE 7 -4.843 -4.792 -9.332 59 3HG2 ILE 7 3HG2 ILE 7 -4.290 -3.749 -8.023 60 1HD1 ILE 7 1HD1 ILE 7 -2.173 -5.268 -11.540 61 2HD1 ILE 7 2HD1 ILE 7 -3.792 -5.381 -10.848 62 3HD1 ILE 7 3HD1 ILE 7 -2.683 -6.746 -10.722 63 H ALA 8 H ALA 8 -3.261 -7.590 -6.191 64 HA ALA 8 HA ALA 8 -5.560 -6.993 -4.710 65 1HB ALA 8 1HB ALA 8 -5.335 -9.273 -3.801 66 2HB ALA 8 2HB ALA 8 -3.687 -9.356 -4.420 67 3HB ALA 8 3HB ALA 8 -5.044 -9.248 -5.539 68 H ARG 9 H ARG 9 -2.185 -7.336 -3.684 69 HA ARG 9 HA ARG 9 -2.598 -7.232 -0.906 70 1HB ARG 9 2HB ARG 9 -0.452 -7.891 -1.845 71 2HB ARG 9 1HB ARG 9 -0.233 -6.291 -2.549 72 1HG ARG 9 2HG ARG 9 -0.009 -5.264 -0.413 73 2HG ARG 9 1HG ARG 9 -0.632 -6.686 0.420 74 1HD ARG 9 2HD ARG 9 1.788 -7.094 -1.259 75 2HD ARG 9 1HD ARG 9 2.008 -6.153 0.212 76 HE ARG 9 HE ARG 9 1.371 -8.985 0.039 77 1HH1 ARG 9 1HH2 ARG 9 1.405 -6.105 1.971 78 2HH1 ARG 9 2HH2 ARG 9 1.440 -6.957 3.478 79 1HH2 ARG 9 1HH1 ARG 9 1.411 -10.097 2.011 80 2HH2 ARG 9 2HH1 ARG 9 1.439 -9.215 3.501 81 H ILE 10 H ILE 10 -1.158 -4.561 -2.756 82 HA ILE 10 HA ILE 10 -1.592 -2.544 -0.927 83 HB ILE 10 HB ILE 10 -1.802 -2.100 -3.912 84 1HG1 ILE 10 2HG1 ILE 10 0.668 -2.574 -2.204 85 2HG1 ILE 10 1HG1 ILE 10 0.106 -3.587 -3.531 86 1HG2 ILE 10 1HG2 ILE 10 -0.312 -0.397 -1.934 87 2HG2 ILE 10 2HG2 ILE 10 -2.068 -0.272 -2.017 88 3HG2 ILE 10 3HG2 ILE 10 -1.091 0.072 -3.444 89 1HD1 ILE 10 1HD1 ILE 10 1.383 -0.878 -3.632 90 2HD1 ILE 10 2HD1 ILE 10 0.260 -1.339 -4.911 91 3HD1 ILE 10 3HD1 ILE 10 1.707 -2.303 -4.617 92 H ASN 11 H ASN 11 -3.802 -3.707 -3.451 93 HA ASN 11 HA ASN 11 -5.804 -1.753 -3.152 94 1HB ASN 11 2HB ASN 11 -5.807 -3.241 -5.056 95 2HB ASN 11 1HB ASN 11 -5.994 -4.647 -4.011 96 1HD2 ASN 11 1HD2 ASN 11 -8.095 -5.376 -4.482 97 2HD2 ASN 11 2HD2 ASN 11 -9.481 -4.399 -4.413 98 H GLU 12 H GLU 12 -5.762 -5.072 -1.816 99 HA GLU 12 HA GLU 12 -8.030 -4.788 -0.195 100 1HB GLU 12 2HB GLU 12 -6.946 -6.954 -0.763 101 2HB GLU 12 1HB GLU 12 -5.624 -6.549 0.333 102 1HG GLU 12 2HG GLU 12 -7.019 -6.633 2.237 103 2HG GLU 12 1HG GLU 12 -8.490 -6.513 1.274 104 H LEU 13 H LEU 13 -4.615 -4.123 0.473 105 HA LEU 13 HA LEU 13 -4.846 -3.612 3.233 106 1HB LEU 13 2HB LEU 13 -2.754 -3.753 1.573 107 2HB LEU 13 1HB LEU 13 -2.926 -2.000 1.616 108 HG LEU 13 HG LEU 13 -2.750 -3.757 4.085 109 1HD1 LEU 13 1HD1 LEU 13 -0.657 -3.669 2.636 110 2HD1 LEU 13 2HD1 LEU 13 -0.458 -3.084 4.287 111 3HD1 LEU 13 3HD1 LEU 13 -0.609 -1.935 2.956 112 1HD2 LEU 13 1HD2 LEU 13 -3.767 -1.813 4.840 113 2HD2 LEU 13 2HD2 LEU 13 -3.052 -0.818 3.570 114 3HD2 LEU 13 3HD2 LEU 13 -2.076 -1.323 4.949 115 H ALA 14 H ALA 14 -5.103 -1.447 0.422 116 HA ALA 14 HA ALA 14 -5.420 0.979 1.756 117 1HB ALA 14 1HB ALA 14 -6.570 -0.016 -0.853 118 2HB ALA 14 2HB ALA 14 -5.156 1.009 -0.615 119 3HB ALA 14 3HB ALA 14 -6.770 1.643 -0.291 120 H ALA 15 H ALA 15 -7.954 -1.294 0.677 121 HA ALA 15 HA ALA 15 -10.133 0.114 1.801 122 1HB ALA 15 1HB ALA 15 -9.988 -2.879 1.415 123 2HB ALA 15 2HB ALA 15 -10.227 -1.754 0.078 124 3HB ALA 15 3HB ALA 15 -11.419 -1.850 1.374 125 H LYS 16 H LYS 16 -7.901 -2.264 3.098 126 HA LYS 16 HA LYS 16 -9.277 -2.913 5.471 127 1HB LYS 16 2HB LYS 16 -7.281 -4.142 4.567 128 2HB LYS 16 1HB LYS 16 -6.273 -2.791 5.084 129 1HG LYS 16 2HG LYS 16 -6.776 -3.156 7.381 130 2HG LYS 16 1HG LYS 16 -8.121 -4.230 6.995 131 1HD LYS 16 2HD LYS 16 -5.383 -4.962 6.018 132 2HD LYS 16 1HD LYS 16 -5.765 -5.218 7.720 133 1HE LYS 16 2HE LYS 16 -7.834 -6.463 6.986 134 2HE LYS 16 1HE LYS 16 -7.239 -6.355 5.328 135 1HZ LYS 16 1HZ LYS 16 -6.380 -8.055 7.478 136 2HZ LYS 16 2HZ LYS 16 -5.092 -7.267 6.697 137 3HZ LYS 16 3HZ LYS 16 -6.167 -8.234 5.805 138 H ALA 17 H ALA 17 -6.503 -0.717 5.051 139 HA ALA 17 HA ALA 17 -6.695 0.508 7.583 140 1HB ALA 17 1HB ALA 17 -4.648 0.869 6.539 141 2HB ALA 17 2HB ALA 17 -5.448 2.419 6.279 142 3HB ALA 17 3HB ALA 17 -5.389 1.231 4.979 143 H LYS 18 H LYS 18 -8.634 0.853 4.760 144 HA LYS 18 HA LYS 18 -9.493 3.542 5.143 145 1HB LYS 18 2HB LYS 18 -9.914 2.061 3.089 146 2HB LYS 18 1HB LYS 18 -11.226 1.335 4.017 147 1HG LYS 18 2HG LYS 18 -12.232 3.576 4.336 148 2HG LYS 18 1HG LYS 18 -10.934 4.287 3.378 149 1HD LYS 18 2HD LYS 18 -11.680 2.530 1.570 150 2HD LYS 18 1HD LYS 18 -13.187 2.507 2.485 151 1HE LYS 18 2HE LYS 18 -13.327 4.983 2.269 152 2HE LYS 18 1HE LYS 18 -11.866 4.957 1.282 153 1HZ LYS 18 1HZ LYS 18 -14.055 3.188 0.505 154 2HZ LYS 18 2HZ LYS 18 -12.939 4.026 -0.464 155 3HZ LYS 18 3HZ LYS 18 -14.258 4.848 0.223 156 H ALA 19 H ALA 19 -11.312 0.550 5.811 157 HA ALA 19 HA ALA 19 -12.946 1.870 7.803 158 1HB ALA 19 1HB ALA 19 -13.606 -0.086 6.208 159 2HB ALA 19 2HB ALA 19 -14.191 -0.115 7.871 160 3HB ALA 19 3HB ALA 19 -12.811 -1.110 7.406 161 H GLY 20 H GLY 20 -9.867 0.614 7.752 162 1HA GLY 20 2HA GLY 20 -9.899 -0.343 10.534 163 2HA GLY 20 1HA GLY 20 -8.593 -0.570 9.376 164 H VAL 21 H VAL 21 -9.477 2.518 8.897 165 HA VAL 21 HA VAL 21 -8.685 4.570 9.527 166 HB VAL 21 HB VAL 21 -7.795 3.523 12.188 167 1HG1 VAL 21 1HG1 VAL 21 -9.538 5.910 11.684 168 2HG1 VAL 21 2HG1 VAL 21 -7.835 5.997 11.234 169 3HG1 VAL 21 3HG1 VAL 21 -8.290 5.676 12.908 170 1HG2 VAL 21 1HG2 VAL 21 -10.535 3.379 11.036 171 2HG2 VAL 21 2HG2 VAL 21 -10.411 4.027 12.672 172 3HG2 VAL 21 3HG2 VAL 21 -9.801 2.411 12.314 173 H ILE 22 H ILE 22 -7.004 4.651 8.098 174 HA ILE 22 HA ILE 22 -4.583 3.309 8.179 175 HB ILE 22 HB ILE 22 -5.382 4.714 6.293 176 1HG1 ILE 22 2HG1 ILE 22 -3.065 5.932 5.996 177 2HG1 ILE 22 1HG1 ILE 22 -2.638 5.075 7.475 178 1HG2 ILE 22 1HG2 ILE 22 -4.376 7.092 7.864 179 2HG2 ILE 22 2HG2 ILE 22 -6.076 6.613 7.883 180 3HG2 ILE 22 3HG2 ILE 22 -5.307 7.085 6.365 181 1HD1 ILE 22 1HD1 ILE 22 -2.051 3.807 5.393 182 2HD1 ILE 22 2HD1 ILE 22 -3.769 3.737 5.001 183 3HD1 ILE 22 3HD1 ILE 22 -3.160 2.935 6.449 184 H THR 23 H THR 23 -2.727 3.501 9.291 185 HA THR 23 HA THR 23 -2.591 5.604 11.369 186 HB THR 23 HB THR 23 -1.368 4.063 12.737 187 HG1 THR 23 HG1 THR 23 -0.415 3.153 10.621 188 1HG2 THR 23 1HG2 THR 23 -3.456 2.314 11.445 189 2HG2 THR 23 2HG2 THR 23 -3.911 3.736 12.383 190 3HG2 THR 23 3HG2 THR 23 -3.014 2.424 13.148 191 H GLU 24 H GLU 24 -0.511 6.518 11.820 192 HA GLU 24 HA GLU 24 0.957 7.373 9.644 193 1HB GLU 24 2HB GLU 24 2.173 6.942 12.381 194 2HB GLU 24 1HB GLU 24 2.612 8.155 11.181 195 1HG GLU 24 2HG GLU 24 1.278 9.451 12.551 196 2HG GLU 24 1HG GLU 24 0.059 8.849 11.435 197 H GLU 25 H GLU 25 1.476 4.545 11.693 198 HA GLU 25 HA GLU 25 3.927 3.671 10.623 199 1HB GLU 25 2HB GLU 25 2.587 2.837 12.700 200 2HB GLU 25 1HB GLU 25 1.792 1.763 11.549 201 1HG GLU 25 2HG GLU 25 3.968 0.857 10.861 202 2HG GLU 25 1HG GLU 25 4.791 1.961 11.961 203 H GLU 26 H GLU 26 0.587 2.741 9.794 204 HA GLU 26 HA GLU 26 1.249 0.992 7.678 205 1HB GLU 26 2HB GLU 26 -1.244 2.526 8.398 206 2HB GLU 26 1HB GLU 26 -1.165 1.527 6.947 207 1HG GLU 26 2HG GLU 26 -0.468 -0.406 8.374 208 2HG GLU 26 1HG GLU 26 -0.705 0.605 9.798 209 H LYS 27 H LYS 27 0.296 4.419 7.689 210 HA LYS 27 HA LYS 27 0.220 4.923 4.975 211 1HB LYS 27 2HB LYS 27 -0.023 6.463 7.191 212 2HB LYS 27 1HB LYS 27 1.552 7.002 6.611 213 1HG LYS 27 2HG LYS 27 0.594 7.467 4.393 214 2HG LYS 27 1HG LYS 27 -0.983 6.896 4.944 215 1HD LYS 27 2HD LYS 27 -0.702 8.683 6.827 216 2HD LYS 27 1HD LYS 27 0.514 9.379 5.757 217 1HE LYS 27 2HE LYS 27 -1.376 10.495 5.005 218 2HE LYS 27 1HE LYS 27 -1.398 9.092 3.938 219 1HZ LYS 27 1HZ LYS 27 -3.047 9.638 6.315 220 2HZ LYS 27 2HZ LYS 27 -2.783 8.036 5.812 221 3HZ LYS 27 3HZ LYS 27 -3.533 9.146 4.767 222 H ALA 28 H ALA 28 3.058 4.951 7.124 223 HA ALA 28 HA ALA 28 4.960 5.736 5.189 224 1HB ALA 28 1HB ALA 28 5.394 3.950 7.598 225 2HB ALA 28 2HB ALA 28 5.364 5.712 7.648 226 3HB ALA 28 3HB ALA 28 6.626 4.877 6.741 227 H GLU 29 H GLU 29 3.782 2.555 6.210 228 HA GLU 29 HA GLU 29 5.517 0.950 4.701 229 1HB GLU 29 2HB GLU 29 3.957 0.137 6.482 230 2HB GLU 29 1HB GLU 29 2.620 0.365 5.355 231 1HG GLU 29 2HG GLU 29 3.375 -1.974 5.324 232 2HG GLU 29 1HG GLU 29 3.684 -1.205 3.770 233 H GLN 30 H GLN 30 2.187 1.960 3.892 234 HA GLN 30 HA GLN 30 1.962 0.914 1.356 235 1HB GLN 30 2HB GLN 30 0.932 3.654 2.109 236 2HB GLN 30 1HB GLN 30 0.240 2.521 0.948 237 1HG GLN 30 2HG GLN 30 0.321 0.987 3.221 238 2HG GLN 30 1HG GLN 30 -0.003 2.584 3.887 239 1HE2 GLN 30 1HE2 GLN 30 -1.139 0.601 1.082 240 2HE2 GLN 30 2HE2 GLN 30 -2.773 1.017 1.276 241 H GLN 31 H GLN 31 3.574 3.912 2.321 242 HA GLN 31 HA GLN 31 4.009 5.051 -0.188 243 1HB GLN 31 2HB GLN 31 4.501 6.187 1.947 244 2HB GLN 31 1HB GLN 31 5.861 5.099 2.208 245 1HG GLN 31 2HG GLN 31 7.036 5.953 0.308 246 2HG GLN 31 1HG GLN 31 5.614 6.824 -0.264 247 1HE2 GLN 31 1HE2 GLN 31 4.714 8.263 1.849 248 2HE2 GLN 31 2HE2 GLN 31 5.924 9.268 2.487 249 H LYS 32 H LYS 32 5.856 2.552 1.514 250 HA LYS 32 HA LYS 32 8.067 2.412 -0.216 251 1HB LYS 32 2HB LYS 32 6.767 0.184 1.371 252 2HB LYS 32 1HB LYS 32 8.387 0.141 0.681 253 1HG LYS 32 2HG LYS 32 9.091 2.001 2.084 254 2HG LYS 32 1HG LYS 32 7.451 2.198 2.703 255 1HD LYS 32 2HD LYS 32 7.569 -0.130 3.620 256 2HD LYS 32 1HD LYS 32 9.254 -0.208 3.107 257 1HE LYS 32 2HE LYS 32 9.833 1.654 4.564 258 2HE LYS 32 1HE LYS 32 8.140 1.886 4.998 259 1HZ LYS 32 1HZ LYS 32 8.108 -0.284 6.009 260 2HZ LYS 32 2HZ LYS 32 9.378 0.626 6.677 261 3HZ LYS 32 3HZ LYS 32 9.709 -0.581 5.529 262 H LEU 33 H LEU 33 5.102 0.421 -0.194 263 HA LEU 33 HA LEU 33 5.646 -1.086 -2.483 264 1HB LEU 33 2HB LEU 33 2.898 -0.175 -1.605 265 2HB LEU 33 1HB LEU 33 3.302 -1.621 -2.527 266 HG LEU 33 HG LEU 33 4.056 -1.041 0.353 267 1HD1 LEU 33 1HD1 LEU 33 2.617 -2.912 0.873 268 2HD1 LEU 33 2HD1 LEU 33 2.386 -3.274 -0.837 269 3HD1 LEU 33 3HD1 LEU 33 1.703 -1.801 -0.147 270 1HD2 LEU 33 1HD2 LEU 33 5.922 -2.220 -0.477 271 2HD2 LEU 33 2HD2 LEU 33 4.943 -3.175 -1.588 272 3HD2 LEU 33 3HD2 LEU 33 4.888 -3.505 0.143 273 H ARG 34 H ARG 34 3.798 1.955 -2.196 274 HA ARG 34 HA ARG 34 3.167 2.257 -4.911 275 1HB ARG 34 2HB ARG 34 2.205 3.607 -3.032 276 2HB ARG 34 1HB ARG 34 3.731 4.484 -2.939 277 1HG ARG 34 2HG ARG 34 3.466 5.135 -5.333 278 2HG ARG 34 1HG ARG 34 1.894 4.337 -5.349 279 1HD ARG 34 2HD ARG 34 2.435 6.367 -3.216 280 2HD ARG 34 1HD ARG 34 2.102 6.936 -4.849 281 HE ARG 34 HE ARG 34 0.209 4.990 -3.782 282 1HH1 ARG 34 1HH2 ARG 34 1.054 8.314 -4.295 283 2HH1 ARG 34 2HH2 ARG 34 -0.572 8.889 -4.145 284 1HH2 ARG 34 1HH1 ARG 34 -1.919 5.744 -3.591 285 2HH2 ARG 34 2HH1 ARG 34 -2.252 7.436 -3.747 286 H GLN 35 H GLN 35 6.034 3.180 -3.074 287 HA GLN 35 HA GLN 35 7.323 4.718 -5.049 288 1HB GLN 35 2HB GLN 35 7.995 4.575 -2.638 289 2HB GLN 35 1HB GLN 35 8.636 2.965 -2.958 290 1HG GLN 35 2HG GLN 35 10.327 3.783 -4.379 291 2HG GLN 35 1HG GLN 35 9.506 5.323 -4.621 292 1HE2 GLN 35 1HE2 GLN 35 12.136 4.055 -3.073 293 2HE2 GLN 35 2HE2 GLN 35 12.241 5.125 -1.760 294 H GLU 36 H GLU 36 7.342 1.244 -4.370 295 HA GLU 36 HA GLU 36 9.295 0.534 -6.308 296 1HB GLU 36 2HB GLU 36 7.109 -1.012 -4.915 297 2HB GLU 36 1HB GLU 36 8.182 -1.762 -6.097 298 1HG GLU 36 2HG GLU 36 10.116 -1.314 -4.777 299 2HG GLU 36 1HG GLU 36 9.231 -0.209 -3.726 300 H TYR 37 H TYR 37 5.755 0.737 -6.390 301 HA TYR 37 HA TYR 37 5.231 -0.401 -8.862 302 1HB TYR 37 2HB TYR 37 3.558 0.486 -7.162 303 2HB TYR 37 1HB TYR 37 3.848 2.085 -7.846 304 HD1 TYR 37 HD1 TYR 37 3.433 2.463 -10.323 305 HD2 TYR 37 HD2 TYR 37 2.157 -1.089 -8.268 306 HE1 TYR 37 HE1 TYR 37 1.862 1.957 -12.172 307 HE2 TYR 37 HE2 TYR 37 0.585 -1.593 -10.117 308 HH TYR 37 HH TYR 37 -0.316 -0.858 -12.015 309 H LEU 38 H LEU 38 5.848 3.061 -8.204 310 HA LEU 38 HA LEU 38 5.880 3.893 -10.890 311 1HB LEU 38 2HB LEU 38 6.794 5.001 -8.294 312 2HB LEU 38 1HB LEU 38 7.553 5.679 -9.732 313 HG LEU 38 HG LEU 38 5.467 6.891 -9.010 314 1HD1 LEU 38 1HD1 LEU 38 4.877 7.357 -11.194 315 2HD1 LEU 38 2HD1 LEU 38 4.858 5.657 -11.665 316 3HD1 LEU 38 3HD1 LEU 38 6.394 6.503 -11.479 317 1HD2 LEU 38 1HD2 LEU 38 3.873 4.614 -10.136 318 2HD2 LEU 38 2HD2 LEU 38 3.383 5.867 -8.995 319 3HD2 LEU 38 3HD2 LEU 38 4.393 4.528 -8.452 320 H LYS 39 H LYS 39 8.479 2.768 -8.759 321 HA LYS 39 HA LYS 39 10.616 3.181 -10.581 322 1HB LYS 39 2HB LYS 39 11.012 2.870 -8.190 323 2HB LYS 39 1HB LYS 39 10.347 1.238 -8.270 324 1HG LYS 39 2HG LYS 39 12.162 0.431 -9.547 325 2HG LYS 39 1HG LYS 39 12.673 2.055 -10.010 326 1HD LYS 39 2HD LYS 39 13.644 2.489 -7.929 327 2HD LYS 39 1HD LYS 39 12.649 1.291 -7.102 328 1HE LYS 39 2HE LYS 39 14.610 0.409 -9.208 329 2HE LYS 39 1HE LYS 39 15.169 0.746 -7.570 330 1HZ LYS 39 1HZ LYS 39 14.628 -1.483 -7.493 331 2HZ LYS 39 2HZ LYS 39 13.263 -1.306 -8.490 332 3HZ LYS 39 3HZ LYS 39 13.222 -0.755 -6.883 333 H GLY 40 H GLY 40 8.077 0.898 -10.502 334 1HA GLY 40 2HA GLY 40 9.527 -1.115 -12.062 335 2HA GLY 40 1HA GLY 40 7.887 -1.261 -11.438 336 H PHE 41 H PHE 41 7.487 1.606 -12.534 337 HA PHE 41 HA PHE 41 6.173 0.883 -14.929 338 1HB PHE 41 2HB PHE 41 5.584 2.858 -13.533 339 2HB PHE 41 1HB PHE 41 7.076 3.640 -14.055 340 HD1 PHE 41 HD1 PHE 41 7.245 4.691 -16.188 341 HD2 PHE 41 HD2 PHE 41 3.841 2.238 -15.259 342 HE1 PHE 41 HE1 PHE 41 6.113 5.480 -18.248 343 HE2 PHE 41 HE2 PHE 41 2.711 3.027 -17.319 344 HZ PHE 41 HZ PHE 41 3.846 4.648 -18.814 345 H ARG 42 H ARG 42 6.915 0.612 -16.938 346 HA ARG 42 HA ARG 42 9.484 1.860 -17.693 347 1HB ARG 42 2HB ARG 42 9.717 -0.595 -17.074 348 2HB ARG 42 1HB ARG 42 8.717 -0.953 -18.482 349 1HG ARG 42 2HG ARG 42 10.351 0.330 -19.894 350 2HG ARG 42 1HG ARG 42 11.382 0.493 -18.473 351 1HD ARG 42 2HD ARG 42 12.159 -1.415 -19.747 352 2HD ARG 42 1HD ARG 42 11.400 -2.010 -18.274 353 HE ARG 42 HE ARG 42 9.393 -1.970 -20.182 354 1HH1 ARG 42 1HH2 ARG 42 12.511 -3.427 -19.780 355 2HH1 ARG 42 2HH2 ARG 42 12.126 -4.831 -20.716 356 1HH2 ARG 42 1HH1 ARG 42 8.886 -3.808 -21.406 357 2HH2 ARG 42 2HH1 ARG 42 10.073 -5.047 -21.636 Start of MODEL 6 1 1H MET 1 1HT MET 1 8.603 -4.562 -7.498 2 2H MET 1 2HT MET 1 9.021 -4.983 -5.906 3 3H MET 1 3HT MET 1 7.834 -5.868 -6.738 4 HA MET 1 HA MET 1 10.324 -5.781 -8.149 5 1HB MET 1 2HB MET 1 10.818 -5.792 -5.530 6 2HB MET 1 1HB MET 1 10.404 -7.498 -5.698 7 1HG MET 1 2HG MET 1 12.716 -7.492 -6.097 8 2HG MET 1 1HG MET 1 12.045 -7.450 -7.727 9 1HE MET 1 1HE MET 1 14.342 -6.905 -8.334 10 2HE MET 1 2HE MET 1 14.852 -5.244 -8.632 11 3HE MET 1 3HE MET 1 13.402 -5.866 -9.413 12 H ILE 2 H ILE 2 7.503 -7.237 -6.773 13 HA ILE 2 HA ILE 2 7.781 -9.520 -8.634 14 HB ILE 2 HB ILE 2 7.768 -9.834 -5.976 15 1HG1 ILE 2 2HG1 ILE 2 7.994 -11.624 -7.651 16 2HG1 ILE 2 1HG1 ILE 2 6.885 -12.108 -6.371 17 1HG2 ILE 2 1HG2 ILE 2 5.555 -8.684 -5.744 18 2HG2 ILE 2 2HG2 ILE 2 5.548 -10.336 -5.133 19 3HG2 ILE 2 3HG2 ILE 2 4.826 -9.975 -6.699 20 1HD1 ILE 2 1HD1 ILE 2 5.687 -12.727 -8.273 21 2HD1 ILE 2 2HD1 ILE 2 6.284 -11.363 -9.217 22 3HD1 ILE 2 3HD1 ILE 2 5.051 -11.109 -7.983 23 H SER 3 H SER 3 5.502 -7.341 -6.998 24 HA SER 3 HA SER 3 3.456 -6.515 -7.617 25 1HB SER 3 2HB SER 3 4.078 -7.288 -10.458 26 2HB SER 3 1HB SER 3 3.168 -5.902 -9.863 27 HG SER 3 HG SER 3 5.908 -6.309 -10.071 28 H ASN 4 H ASN 4 2.179 -7.668 -10.187 29 HA ASN 4 HA ASN 4 0.534 -9.180 -10.671 30 1HB ASN 4 2HB ASN 4 2.364 -11.024 -9.111 31 2HB ASN 4 1HB ASN 4 1.006 -11.551 -10.102 32 1HD2 ASN 4 1HD2 ASN 4 3.807 -9.300 -10.514 33 2HD2 ASN 4 2HD2 ASN 4 4.218 -9.873 -12.056 34 H ALA 5 H ALA 5 0.954 -11.177 -7.919 35 HA ALA 5 HA ALA 5 -1.678 -10.643 -6.967 36 1HB ALA 5 1HB ALA 5 -0.269 -12.805 -6.763 37 2HB ALA 5 2HB ALA 5 -1.290 -12.343 -5.403 38 3HB ALA 5 3HB ALA 5 0.444 -12.030 -5.348 39 H LYS 6 H LYS 6 1.488 -9.407 -6.173 40 HA LYS 6 HA LYS 6 0.855 -8.341 -3.610 41 1HB LYS 6 2HB LYS 6 3.185 -8.721 -4.586 42 2HB LYS 6 1HB LYS 6 2.934 -7.233 -5.500 43 1HG LYS 6 2HG LYS 6 2.629 -5.956 -3.463 44 2HG LYS 6 1HG LYS 6 2.655 -7.424 -2.486 45 1HD LYS 6 2HD LYS 6 5.004 -6.858 -4.258 46 2HD LYS 6 1HD LYS 6 4.838 -5.933 -2.766 47 1HE LYS 6 2HE LYS 6 4.676 -8.955 -2.840 48 2HE LYS 6 1HE LYS 6 6.184 -8.084 -2.564 49 1HZ LYS 6 1HZ LYS 6 3.780 -8.210 -0.872 50 2HZ LYS 6 2HZ LYS 6 4.813 -6.864 -0.773 51 3HZ LYS 6 3HZ LYS 6 5.407 -8.420 -0.440 52 H ILE 7 H ILE 7 0.491 -7.169 -6.903 53 HA ILE 7 HA ILE 7 0.088 -4.449 -6.460 54 HB ILE 7 HB ILE 7 -1.234 -6.304 -8.455 55 1HG1 ILE 7 2HG1 ILE 7 0.977 -4.256 -8.819 56 2HG1 ILE 7 1HG1 ILE 7 1.284 -5.965 -8.512 57 1HG2 ILE 7 1HG2 ILE 7 -1.549 -4.001 -9.666 58 2HG2 ILE 7 2HG2 ILE 7 -1.416 -3.323 -8.043 59 3HG2 ILE 7 3HG2 ILE 7 -2.703 -4.469 -8.417 60 1HD1 ILE 7 1HD1 ILE 7 -0.530 -5.123 -10.768 61 2HD1 ILE 7 2HD1 ILE 7 0.364 -6.630 -10.573 62 3HD1 ILE 7 3HD1 ILE 7 1.220 -5.144 -10.984 63 H ALA 8 H ALA 8 -2.472 -6.916 -6.766 64 HA ALA 8 HA ALA 8 -4.605 -5.335 -5.886 65 1HB ALA 8 1HB ALA 8 -4.828 -7.549 -6.998 66 2HB ALA 8 2HB ALA 8 -5.790 -7.430 -5.525 67 3HB ALA 8 3HB ALA 8 -4.270 -8.322 -5.515 68 H ARG 9 H ARG 9 -2.270 -7.273 -4.057 69 HA ARG 9 HA ARG 9 -3.546 -7.105 -1.543 70 1HB ARG 9 2HB ARG 9 -1.633 -8.630 -2.088 71 2HB ARG 9 1HB ARG 9 -0.565 -7.226 -2.058 72 1HG ARG 9 2HG ARG 9 -1.721 -6.829 0.308 73 2HG ARG 9 1HG ARG 9 -2.000 -8.566 0.205 74 1HD ARG 9 2HD ARG 9 0.094 -8.398 1.276 75 2HD ARG 9 1HD ARG 9 0.509 -8.732 -0.402 76 HE ARG 9 HE ARG 9 1.408 -6.591 -0.562 77 1HH1 ARG 9 1HH2 ARG 9 -0.501 -6.925 2.317 78 2HH1 ARG 9 2HH2 ARG 9 0.030 -5.425 3.001 79 1HH2 ARG 9 1HH1 ARG 9 2.095 -4.630 0.338 80 2HH2 ARG 9 2HH1 ARG 9 1.493 -4.127 1.881 81 H ILE 10 H ILE 10 -1.122 -5.033 -3.112 82 HA ILE 10 HA ILE 10 -0.613 -3.259 -1.041 83 HB ILE 10 HB ILE 10 -0.647 -2.871 -4.033 84 1HG1 ILE 10 2HG1 ILE 10 1.707 -2.748 -2.153 85 2HG1 ILE 10 1HG1 ILE 10 1.071 -4.308 -2.672 86 1HG2 ILE 10 1HG2 ILE 10 -1.001 -0.655 -3.342 87 2HG2 ILE 10 2HG2 ILE 10 0.759 -0.766 -3.348 88 3HG2 ILE 10 3HG2 ILE 10 -0.126 -0.886 -1.828 89 1HD1 ILE 10 1HD1 ILE 10 1.732 -4.009 -4.859 90 2HD1 ILE 10 2HD1 ILE 10 2.966 -3.031 -4.066 91 3HD1 ILE 10 3HD1 ILE 10 1.557 -2.255 -4.787 92 H ASN 11 H ASN 11 -2.917 -2.620 -3.724 93 HA ASN 11 HA ASN 11 -4.089 -0.379 -2.475 94 1HB ASN 11 2HB ASN 11 -6.005 -0.790 -4.079 95 2HB ASN 11 1HB ASN 11 -4.420 -0.610 -4.818 96 1HD2 ASN 11 1HD2 ASN 11 -6.984 -2.197 -5.596 97 2HD2 ASN 11 2HD2 ASN 11 -6.391 -3.747 -5.944 98 H GLU 12 H GLU 12 -4.801 -3.815 -2.230 99 HA GLU 12 HA GLU 12 -7.324 -3.641 -0.989 100 1HB GLU 12 2HB GLU 12 -6.359 -5.754 -1.852 101 2HB GLU 12 1HB GLU 12 -5.174 -5.734 -0.549 102 1HG GLU 12 2HG GLU 12 -7.047 -7.189 0.058 103 2HG GLU 12 1HG GLU 12 -7.027 -5.776 1.109 104 H LEU 13 H LEU 13 -4.047 -3.755 0.395 105 HA LEU 13 HA LEU 13 -4.778 -3.661 3.112 106 1HB LEU 13 2HB LEU 13 -2.506 -4.219 2.365 107 2HB LEU 13 1HB LEU 13 -2.294 -2.589 1.739 108 HG LEU 13 HG LEU 13 -1.292 -3.124 4.063 109 1HD1 LEU 13 1HD1 LEU 13 -3.030 -0.796 4.496 110 2HD1 LEU 13 2HD1 LEU 13 -2.227 -0.794 2.927 111 3HD1 LEU 13 3HD1 LEU 13 -1.272 -0.890 4.406 112 1HD2 LEU 13 1HD2 LEU 13 -2.715 -3.177 5.945 113 2HD2 LEU 13 2HD2 LEU 13 -3.530 -4.225 4.785 114 3HD2 LEU 13 3HD2 LEU 13 -4.097 -2.574 5.033 115 H ALA 14 H ALA 14 -4.024 -1.065 0.802 116 HA ALA 14 HA ALA 14 -4.201 1.132 2.487 117 1HB ALA 14 1HB ALA 14 -4.548 2.446 0.540 118 2HB ALA 14 2HB ALA 14 -5.313 1.110 -0.320 119 3HB ALA 14 3HB ALA 14 -3.582 1.072 0.007 120 H ALA 15 H ALA 15 -6.828 -0.338 0.566 121 HA ALA 15 HA ALA 15 -8.904 1.278 1.593 122 1HB ALA 15 1HB ALA 15 -9.307 0.088 -0.429 123 2HB ALA 15 2HB ALA 15 -10.377 -0.626 0.778 124 3HB ALA 15 3HB ALA 15 -8.892 -1.457 0.315 125 H LYS 16 H LYS 16 -7.515 -1.772 2.694 126 HA LYS 16 HA LYS 16 -9.460 -2.462 4.610 127 1HB LYS 16 2HB LYS 16 -7.768 -4.068 3.941 128 2HB LYS 16 1HB LYS 16 -6.482 -3.024 4.544 129 1HG LYS 16 2HG LYS 16 -7.269 -3.271 6.826 130 2HG LYS 16 1HG LYS 16 -8.692 -4.161 6.283 131 1HD LYS 16 2HD LYS 16 -6.209 -5.346 5.287 132 2HD LYS 16 1HD LYS 16 -6.255 -5.281 7.049 133 1HE LYS 16 2HE LYS 16 -7.271 -7.363 6.392 134 2HE LYS 16 1HE LYS 16 -8.572 -6.301 6.928 135 1HZ LYS 16 1HZ LYS 16 -7.966 -6.000 4.147 136 2HZ LYS 16 2HZ LYS 16 -9.461 -6.272 4.908 137 3HZ LYS 16 3HZ LYS 16 -8.445 -7.582 4.534 138 H ALA 17 H ALA 17 -6.275 -0.964 5.149 139 HA ALA 17 HA ALA 17 -6.715 -0.191 7.808 140 1HB ALA 17 1HB ALA 17 -4.660 0.804 7.669 141 2HB ALA 17 2HB ALA 17 -5.013 1.561 6.116 142 3HB ALA 17 3HB ALA 17 -4.565 -0.144 6.185 143 H LYS 18 H LYS 18 -7.847 1.151 4.819 144 HA LYS 18 HA LYS 18 -8.333 3.806 5.778 145 1HB LYS 18 2HB LYS 18 -8.174 3.074 3.342 146 2HB LYS 18 1HB LYS 18 -9.811 2.446 3.522 147 1HG LYS 18 2HG LYS 18 -10.220 4.607 2.740 148 2HG LYS 18 1HG LYS 18 -10.328 4.834 4.485 149 1HD LYS 18 2HD LYS 18 -8.027 5.637 4.572 150 2HD LYS 18 1HD LYS 18 -7.813 5.297 2.854 151 1HE LYS 18 2HE LYS 18 -9.673 6.917 2.366 152 2HE LYS 18 1HE LYS 18 -9.692 7.336 4.079 153 1HZ LYS 18 1HZ LYS 18 -7.535 8.194 3.962 154 2HZ LYS 18 2HZ LYS 18 -8.299 8.781 2.563 155 3HZ LYS 18 3HZ LYS 18 -7.221 7.473 2.461 156 H ALA 19 H ALA 19 -10.725 1.304 4.874 157 HA ALA 19 HA ALA 19 -12.792 2.550 6.425 158 1HB ALA 19 1HB ALA 19 -12.700 -0.203 5.167 159 2HB ALA 19 2HB ALA 19 -13.287 1.265 4.385 160 3HB ALA 19 3HB ALA 19 -14.143 0.607 5.779 161 H GLY 20 H GLY 20 -10.183 0.668 7.309 162 1HA GLY 20 2HA GLY 20 -11.574 -0.606 9.577 163 2HA GLY 20 1HA GLY 20 -9.951 -0.995 9.012 164 H VAL 21 H VAL 21 -8.301 0.701 9.252 165 HA VAL 21 HA VAL 21 -8.600 2.961 10.897 166 HB VAL 21 HB VAL 21 -9.025 1.604 12.784 167 1HG1 VAL 21 1HG1 VAL 21 -7.062 -0.248 11.489 168 2HG1 VAL 21 2HG1 VAL 21 -8.632 -0.602 12.208 169 3HG1 VAL 21 3HG1 VAL 21 -7.235 -0.304 13.244 170 1HG2 VAL 21 1HG2 VAL 21 -7.169 2.030 14.209 171 2HG2 VAL 21 2HG2 VAL 21 -7.077 3.274 12.963 172 3HG2 VAL 21 3HG2 VAL 21 -6.014 1.869 12.886 173 H ILE 22 H ILE 22 -7.185 3.989 9.574 174 HA ILE 22 HA ILE 22 -4.621 2.750 8.938 175 HB ILE 22 HB ILE 22 -5.844 3.919 7.156 176 1HG1 ILE 22 2HG1 ILE 22 -3.517 5.720 7.659 177 2HG1 ILE 22 1HG1 ILE 22 -3.193 3.988 7.602 178 1HG2 ILE 22 1HG2 ILE 22 -5.393 6.399 8.845 179 2HG2 ILE 22 2HG2 ILE 22 -6.951 5.619 8.580 180 3HG2 ILE 22 3HG2 ILE 22 -6.098 6.363 7.230 181 1HD1 ILE 22 1HD1 ILE 22 -4.339 3.863 5.402 182 2HD1 ILE 22 2HD1 ILE 22 -2.953 4.950 5.363 183 3HD1 ILE 22 3HD1 ILE 22 -4.586 5.609 5.452 184 H THR 23 H THR 23 -2.676 3.382 9.690 185 HA THR 23 HA THR 23 -2.541 5.690 11.520 186 HB THR 23 HB THR 23 -1.283 4.418 13.147 187 HG1 THR 23 HG1 THR 23 -1.721 2.105 11.596 188 1HG2 THR 23 1HG2 THR 23 -3.866 4.275 13.030 189 2HG2 THR 23 2HG2 THR 23 -3.022 3.099 14.035 190 3HG2 THR 23 3HG2 THR 23 -3.606 2.633 12.438 191 H GLU 24 H GLU 24 -0.246 6.307 11.966 192 HA GLU 24 HA GLU 24 1.167 6.893 9.673 193 1HB GLU 24 2HB GLU 24 1.487 7.790 12.061 194 2HB GLU 24 1HB GLU 24 2.546 6.403 12.309 195 1HG GLU 24 2HG GLU 24 3.659 7.212 10.063 196 2HG GLU 24 1HG GLU 24 2.903 8.752 10.467 197 H GLU 25 H GLU 25 1.373 4.029 11.714 198 HA GLU 25 HA GLU 25 3.710 2.884 10.655 199 1HB GLU 25 2HB GLU 25 1.241 1.574 11.820 200 2HB GLU 25 1HB GLU 25 2.748 0.724 11.481 201 1HG GLU 25 2HG GLU 25 2.551 3.152 13.285 202 2HG GLU 25 1HG GLU 25 2.515 1.491 13.871 203 H GLU 26 H GLU 26 0.336 1.981 9.885 204 HA GLU 26 HA GLU 26 1.016 0.415 7.627 205 1HB GLU 26 2HB GLU 26 -1.580 1.725 8.458 206 2HB GLU 26 1HB GLU 26 -1.437 0.654 7.067 207 1HG GLU 26 2HG GLU 26 -0.517 -0.169 9.828 208 2HG GLU 26 1HG GLU 26 -2.171 -0.429 9.277 209 H LYS 27 H LYS 27 -0.039 3.786 7.959 210 HA LYS 27 HA LYS 27 -0.357 4.448 5.273 211 1HB LYS 27 2HB LYS 27 -0.995 5.949 7.094 212 2HB LYS 27 1HB LYS 27 0.700 6.176 7.525 213 1HG LYS 27 2HG LYS 27 1.169 7.366 5.537 214 2HG LYS 27 1HG LYS 27 -0.289 6.779 4.738 215 1HD LYS 27 2HD LYS 27 -0.653 8.350 7.248 216 2HD LYS 27 1HD LYS 27 -0.152 9.236 5.808 217 1HE LYS 27 2HE LYS 27 -2.064 8.415 4.563 218 2HE LYS 27 1HE LYS 27 -2.520 7.345 5.889 219 1HZ LYS 27 1HZ LYS 27 -2.305 10.271 6.248 220 2HZ LYS 27 2HZ LYS 27 -3.109 9.140 7.230 221 3HZ LYS 27 3HZ LYS 27 -3.736 9.544 5.703 222 H ALA 28 H ALA 28 2.599 4.465 7.254 223 HA ALA 28 HA ALA 28 4.319 5.520 5.265 224 1HB ALA 28 1HB ALA 28 6.137 4.683 6.657 225 2HB ALA 28 2HB ALA 28 5.016 3.650 7.544 226 3HB ALA 28 3HB ALA 28 4.895 5.403 7.680 227 H GLU 29 H GLU 29 3.324 2.239 6.102 228 HA GLU 29 HA GLU 29 5.110 0.796 4.499 229 1HB GLU 29 2HB GLU 29 3.416 -0.054 6.250 230 2HB GLU 29 1HB GLU 29 2.253 -0.050 4.925 231 1HG GLU 29 2HG GLU 29 3.060 -2.180 4.634 232 2HG GLU 29 1HG GLU 29 4.279 -1.322 3.692 233 H GLN 30 H GLN 30 1.690 1.470 3.718 234 HA GLN 30 HA GLN 30 1.699 0.658 1.090 235 1HB GLN 30 2HB GLN 30 -0.154 2.343 0.750 236 2HB GLN 30 1HB GLN 30 -0.378 1.244 2.109 237 1HG GLN 30 2HG GLN 30 0.532 2.987 3.633 238 2HG GLN 30 1HG GLN 30 0.658 4.090 2.267 239 1HE2 GLN 30 1HE2 GLN 30 -1.918 1.834 3.433 240 2HE2 GLN 30 2HE2 GLN 30 -3.153 2.999 3.384 241 H GLN 31 H GLN 31 2.758 3.779 2.390 242 HA GLN 31 HA GLN 31 3.080 5.159 -0.032 243 1HB GLN 31 2HB GLN 31 3.224 6.194 2.226 244 2HB GLN 31 1HB GLN 31 4.792 5.420 2.450 245 1HG GLN 31 2HG GLN 31 5.620 6.581 0.401 246 2HG GLN 31 1HG GLN 31 4.072 7.416 0.282 247 1HE2 GLN 31 1HE2 GLN 31 6.432 8.931 0.599 248 2HE2 GLN 31 2HE2 GLN 31 6.447 9.622 2.149 249 H LYS 32 H LYS 32 5.401 3.148 1.779 250 HA LYS 32 HA LYS 32 7.581 3.460 0.024 251 1HB LYS 32 2HB LYS 32 7.702 2.467 2.321 252 2HB LYS 32 1HB LYS 32 6.922 1.016 1.692 253 1HG LYS 32 2HG LYS 32 8.760 0.636 0.143 254 2HG LYS 32 1HG LYS 32 9.513 2.163 0.606 255 1HD LYS 32 2HD LYS 32 9.995 1.368 2.810 256 2HD LYS 32 1HD LYS 32 8.960 -0.045 2.600 257 1HE LYS 32 2HE LYS 32 10.514 -1.167 1.316 258 2HE LYS 32 1HE LYS 32 11.203 0.318 0.661 259 1HZ LYS 32 1HZ LYS 32 11.901 -1.139 3.050 260 2HZ LYS 32 2HZ LYS 32 11.756 0.538 3.283 261 3HZ LYS 32 3HZ LYS 32 12.833 -0.071 2.118 262 H LEU 33 H LEU 33 5.297 0.726 0.276 263 HA LEU 33 HA LEU 33 6.121 -0.661 -2.003 264 1HB LEU 33 2HB LEU 33 3.338 -0.493 -0.820 265 2HB LEU 33 1HB LEU 33 3.909 -1.738 -1.933 266 HG LEU 33 HG LEU 33 5.158 -1.167 0.773 267 1HD1 LEU 33 1HD1 LEU 33 3.928 -2.936 1.682 268 2HD1 LEU 33 2HD1 LEU 33 3.561 -3.625 0.100 269 3HD1 LEU 33 3HD1 LEU 33 2.735 -2.163 0.638 270 1HD2 LEU 33 1HD2 LEU 33 5.920 -3.668 0.125 271 2HD2 LEU 33 2HD2 LEU 33 6.849 -2.249 -0.358 272 3HD2 LEU 33 3HD2 LEU 33 5.742 -3.011 -1.501 273 H ARG 34 H ARG 34 3.824 2.000 -1.658 274 HA ARG 34 HA ARG 34 2.707 1.966 -4.232 275 1HB ARG 34 2HB ARG 34 3.100 4.071 -2.139 276 2HB ARG 34 1HB ARG 34 2.565 4.558 -3.746 277 1HG ARG 34 2HG ARG 34 1.179 2.226 -2.510 278 2HG ARG 34 1HG ARG 34 0.830 3.818 -1.835 279 1HD ARG 34 2HD ARG 34 0.114 4.658 -3.964 280 2HD ARG 34 1HD ARG 34 0.725 3.233 -4.800 281 HE ARG 34 HE ARG 34 -1.266 2.572 -2.834 282 1HH1 ARG 34 1HH2 ARG 34 -0.704 3.743 -6.047 283 2HH1 ARG 34 2HH2 ARG 34 -2.240 3.222 -6.651 284 1HH2 ARG 34 1HH1 ARG 34 -3.282 1.898 -3.619 285 2HH2 ARG 34 2HH1 ARG 34 -3.702 2.179 -5.276 286 H GLN 35 H GLN 35 5.641 3.505 -2.990 287 HA GLN 35 HA GLN 35 6.351 4.922 -5.324 288 1HB GLN 35 2HB GLN 35 7.348 5.314 -3.088 289 2HB GLN 35 1HB GLN 35 8.173 3.762 -3.199 290 1HG GLN 35 2HG GLN 35 9.589 4.490 -4.921 291 2HG GLN 35 1HG GLN 35 8.510 5.806 -5.384 292 1HE2 GLN 35 1HE2 GLN 35 8.700 7.819 -4.242 293 2HE2 GLN 35 2HE2 GLN 35 9.901 8.099 -3.076 294 H GLU 36 H GLU 36 7.064 1.632 -4.229 295 HA GLU 36 HA GLU 36 8.874 0.953 -6.305 296 1HB GLU 36 2HB GLU 36 8.555 -0.308 -4.144 297 2HB GLU 36 1HB GLU 36 7.043 -0.928 -4.802 298 1HG GLU 36 2HG GLU 36 8.664 -2.600 -5.298 299 2HG GLU 36 1HG GLU 36 8.406 -1.738 -6.812 300 H TYR 37 H TYR 37 5.366 0.552 -5.941 301 HA TYR 37 HA TYR 37 4.800 -0.953 -8.197 302 1HB TYR 37 2HB TYR 37 3.094 -0.428 -6.548 303 2HB TYR 37 1HB TYR 37 3.172 1.284 -6.968 304 HD1 TYR 37 HD1 TYR 37 2.744 -2.031 -8.694 305 HD2 TYR 37 HD2 TYR 37 1.563 2.093 -8.447 306 HE1 TYR 37 HE1 TYR 37 1.093 -2.393 -10.509 307 HE2 TYR 37 HE2 TYR 37 -0.088 1.729 -10.261 308 HH TYR 37 HH TYR 37 -1.399 -0.422 -11.146 309 H LEU 38 H LEU 38 5.355 2.539 -7.956 310 HA LEU 38 HA LEU 38 4.550 3.284 -10.534 311 1HB LEU 38 2HB LEU 38 6.953 4.547 -9.242 312 2HB LEU 38 1HB LEU 38 5.674 5.304 -10.189 313 HG LEU 38 HG LEU 38 5.459 4.217 -7.369 314 1HD1 LEU 38 1HD1 LEU 38 4.939 6.527 -6.792 315 2HD1 LEU 38 2HD1 LEU 38 5.014 6.997 -8.490 316 3HD1 LEU 38 3HD1 LEU 38 6.477 6.474 -7.654 317 1HD2 LEU 38 1HD2 LEU 38 3.076 5.317 -7.688 318 2HD2 LEU 38 2HD2 LEU 38 3.358 3.660 -8.218 319 3HD2 LEU 38 3HD2 LEU 38 3.372 4.975 -9.392 320 H LYS 39 H LYS 39 7.895 2.662 -9.442 321 HA LYS 39 HA LYS 39 8.985 2.578 -12.060 322 1HB LYS 39 2HB LYS 39 10.053 1.387 -9.486 323 2HB LYS 39 1HB LYS 39 10.982 1.638 -10.964 324 1HG LYS 39 2HG LYS 39 10.944 3.970 -10.752 325 2HG LYS 39 1HG LYS 39 9.526 3.951 -9.705 326 1HD LYS 39 2HD LYS 39 11.505 4.474 -8.373 327 2HD LYS 39 1HD LYS 39 10.900 2.882 -7.919 328 1HE LYS 39 2HE LYS 39 12.629 1.761 -9.076 329 2HE LYS 39 1HE LYS 39 13.030 3.187 -10.034 330 1HZ LYS 39 1HZ LYS 39 13.555 4.218 -7.747 331 2HZ LYS 39 2HZ LYS 39 14.682 3.165 -8.456 332 3HZ LYS 39 3HZ LYS 39 13.659 2.610 -7.218 333 H GLY 40 H GLY 40 7.095 0.351 -10.328 334 1HA GLY 40 2HA GLY 40 8.146 -2.011 -11.695 335 2HA GLY 40 1HA GLY 40 6.875 -1.984 -10.476 336 H PHE 41 H PHE 41 5.766 0.398 -12.183 337 HA PHE 41 HA PHE 41 3.773 -1.096 -13.528 338 1HB PHE 41 2HB PHE 41 3.439 1.214 -12.696 339 2HB PHE 41 1HB PHE 41 4.539 1.807 -13.937 340 HD1 PHE 41 HD1 PHE 41 3.612 2.532 -15.960 341 HD2 PHE 41 HD2 PHE 41 1.512 -0.395 -13.618 342 HE1 PHE 41 HE1 PHE 41 1.738 2.578 -17.582 343 HE2 PHE 41 HE2 PHE 41 -0.361 -0.348 -15.242 344 HZ PHE 41 HZ PHE 41 -0.248 1.137 -17.223 345 H ARG 42 H ARG 42 5.551 1.354 -15.341 346 HA ARG 42 HA ARG 42 5.816 -0.548 -17.563 347 1HB ARG 42 2HB ARG 42 4.810 1.743 -17.917 348 2HB ARG 42 1HB ARG 42 6.400 2.423 -17.566 349 1HG ARG 42 2HG ARG 42 7.387 1.250 -19.446 350 2HG ARG 42 1HG ARG 42 5.888 0.366 -19.736 351 1HD ARG 42 2HD ARG 42 4.737 2.530 -20.188 352 2HD ARG 42 1HD ARG 42 6.276 3.363 -19.986 353 HE ARG 42 HE ARG 42 6.879 2.646 -22.107 354 1HH1 ARG 42 1HH2 ARG 42 4.201 0.794 -20.909 355 2HH1 ARG 42 2HH2 ARG 42 3.932 -0.035 -22.405 356 1HH2 ARG 42 1HH1 ARG 42 6.525 1.561 -24.064 357 2HH2 ARG 42 2HH1 ARG 42 5.246 0.399 -24.190 Start of MODEL 7 1 1H MET 1 1HT MET 1 2.101 -6.955 -17.957 2 2H MET 1 2HT MET 1 2.992 -6.447 -16.602 3 3H MET 1 3HT MET 1 1.940 -5.365 -17.387 4 HA MET 1 HA MET 1 0.569 -5.926 -15.705 5 1HB MET 1 2HB MET 1 0.324 -8.137 -17.754 6 2HB MET 1 1HB MET 1 -0.795 -7.993 -16.398 7 1HG MET 1 2HG MET 1 -1.385 -5.715 -17.099 8 2HG MET 1 1HG MET 1 -0.235 -5.816 -18.435 9 1HE MET 1 1HE MET 1 -4.100 -5.749 -18.932 10 2HE MET 1 2HE MET 1 -3.084 -5.560 -20.359 11 3HE MET 1 3HE MET 1 -2.603 -4.812 -18.840 12 H ILE 2 H ILE 2 0.420 -6.917 -13.738 13 HA ILE 2 HA ILE 2 2.243 -9.200 -13.243 14 HB ILE 2 HB ILE 2 1.395 -7.036 -11.298 15 1HG1 ILE 2 2HG1 ILE 2 3.005 -6.446 -13.273 16 2HG1 ILE 2 1HG1 ILE 2 3.478 -5.995 -11.638 17 1HG2 ILE 2 1HG2 ILE 2 1.865 -9.014 -10.072 18 2HG2 ILE 2 2HG2 ILE 2 3.354 -8.074 -9.996 19 3HG2 ILE 2 3HG2 ILE 2 3.225 -9.435 -11.111 20 1HD1 ILE 2 1HD1 ILE 2 4.307 -8.685 -12.670 21 2HD1 ILE 2 2HD1 ILE 2 5.117 -7.632 -11.510 22 3HD1 ILE 2 3HD1 ILE 2 5.177 -7.258 -13.232 23 H SER 3 H SER 3 -0.554 -7.615 -11.692 24 HA SER 3 HA SER 3 -2.346 -8.480 -10.544 25 1HB SER 3 2HB SER 3 -3.721 -9.984 -11.838 26 2HB SER 3 1HB SER 3 -2.972 -8.828 -12.933 27 HG SER 3 HG SER 3 -2.884 -11.417 -13.099 28 H ASN 4 H ASN 4 -1.303 -9.205 -8.666 29 HA ASN 4 HA ASN 4 -1.546 -12.017 -8.169 30 1HB ASN 4 2HB ASN 4 0.773 -12.510 -7.669 31 2HB ASN 4 1HB ASN 4 0.650 -11.951 -9.334 32 1HD2 ASN 4 1HD2 ASN 4 0.208 -9.092 -8.035 33 2HD2 ASN 4 2HD2 ASN 4 1.798 -8.593 -7.720 34 H ALA 5 H ALA 5 0.329 -12.047 -5.974 35 HA ALA 5 HA ALA 5 -1.269 -11.135 -3.881 36 1HB ALA 5 1HB ALA 5 1.730 -11.455 -3.724 37 2HB ALA 5 2HB ALA 5 0.621 -12.825 -3.771 38 3HB ALA 5 3HB ALA 5 0.548 -11.678 -2.434 39 H LYS 6 H LYS 6 1.185 -9.465 -5.732 40 HA LYS 6 HA LYS 6 1.619 -7.309 -3.927 41 1HB LYS 6 2HB LYS 6 2.965 -8.074 -6.051 42 2HB LYS 6 1HB LYS 6 1.873 -6.977 -6.896 43 1HG LYS 6 2HG LYS 6 2.524 -5.297 -4.982 44 2HG LYS 6 1HG LYS 6 3.923 -6.353 -4.788 45 1HD LYS 6 2HD LYS 6 4.500 -6.062 -7.158 46 2HD LYS 6 1HD LYS 6 3.078 -5.045 -7.392 47 1HE LYS 6 2HE LYS 6 4.021 -3.528 -5.572 48 2HE LYS 6 1HE LYS 6 5.516 -4.453 -5.703 49 1HZ LYS 6 1HZ LYS 6 5.215 -3.957 -8.220 50 2HZ LYS 6 2HZ LYS 6 5.882 -2.775 -7.197 51 3HZ LYS 6 3HZ LYS 6 4.252 -2.675 -7.668 52 H ILE 7 H ILE 7 -0.257 -7.422 -6.974 53 HA ILE 7 HA ILE 7 -1.455 -4.907 -6.733 54 HB ILE 7 HB ILE 7 -2.605 -7.397 -8.019 55 1HG1 ILE 7 2HG1 ILE 7 -0.398 -6.886 -8.926 56 2HG1 ILE 7 1HG1 ILE 7 -1.620 -6.406 -10.103 57 1HG2 ILE 7 1HG2 ILE 7 -3.691 -5.552 -9.482 58 2HG2 ILE 7 2HG2 ILE 7 -3.304 -4.463 -8.149 59 3HG2 ILE 7 3HG2 ILE 7 -4.374 -5.839 -7.882 60 1HD1 ILE 7 1HD1 ILE 7 -1.457 -4.074 -8.868 61 2HD1 ILE 7 2HD1 ILE 7 -0.258 -4.517 -10.081 62 3HD1 ILE 7 3HD1 ILE 7 0.121 -4.683 -8.367 63 H ALA 8 H ALA 8 -2.781 -8.088 -5.823 64 HA ALA 8 HA ALA 8 -5.189 -7.197 -4.715 65 1HB ALA 8 1HB ALA 8 -5.007 -9.362 -3.345 66 2HB ALA 8 2HB ALA 8 -3.476 -9.623 -4.178 67 3HB ALA 8 3HB ALA 8 -4.975 -9.521 -5.101 68 H ARG 9 H ARG 9 -1.956 -7.367 -3.297 69 HA ARG 9 HA ARG 9 -2.748 -6.935 -0.605 70 1HB ARG 9 2HB ARG 9 -0.517 -7.737 -1.059 71 2HB ARG 9 1HB ARG 9 -0.151 -6.314 -2.035 72 1HG ARG 9 2HG ARG 9 -0.217 -4.871 -0.123 73 2HG ARG 9 1HG ARG 9 -0.927 -6.131 0.886 74 1HD ARG 9 2HD ARG 9 1.809 -6.364 -0.389 75 2HD ARG 9 1HD ARG 9 1.550 -5.759 1.246 76 HE ARG 9 HE ARG 9 0.244 -8.238 1.022 77 1HH1 ARG 9 1HH2 ARG 9 3.435 -6.883 0.963 78 2HH1 ARG 9 2HH2 ARG 9 4.198 -8.313 1.569 79 1HH2 ARG 9 1HH1 ARG 9 1.243 -10.109 1.816 80 2HH2 ARG 9 2HH1 ARG 9 2.959 -10.141 2.047 81 H ILE 10 H ILE 10 -1.572 -4.692 -3.106 82 HA ILE 10 HA ILE 10 -1.669 -2.319 -1.698 83 HB ILE 10 HB ILE 10 -2.234 -2.858 -4.617 84 1HG1 ILE 10 2HG1 ILE 10 0.214 -1.584 -3.396 85 2HG1 ILE 10 1HG1 ILE 10 0.055 -3.339 -3.447 86 1HG2 ILE 10 1HG2 ILE 10 -1.636 -0.384 -4.840 87 2HG2 ILE 10 2HG2 ILE 10 -1.895 -0.257 -3.099 88 3HG2 ILE 10 3HG2 ILE 10 -3.226 -0.725 -4.158 89 1HD1 ILE 10 1HD1 ILE 10 1.270 -2.382 -5.427 90 2HD1 ILE 10 2HD1 ILE 10 -0.216 -1.549 -5.878 91 3HD1 ILE 10 3HD1 ILE 10 -0.163 -3.312 -5.860 92 H ASN 11 H ASN 11 -4.268 -3.314 -3.963 93 HA ASN 11 HA ASN 11 -6.102 -1.381 -3.117 94 1HB ASN 11 2HB ASN 11 -7.837 -2.869 -4.157 95 2HB ASN 11 1HB ASN 11 -6.472 -2.501 -5.201 96 1HD2 ASN 11 1HD2 ASN 11 -8.119 -4.808 -5.617 97 2HD2 ASN 11 2HD2 ASN 11 -7.182 -6.189 -5.311 98 H GLU 12 H GLU 12 -5.769 -4.764 -2.037 99 HA GLU 12 HA GLU 12 -7.975 -4.799 -0.294 100 1HB GLU 12 2HB GLU 12 -6.717 -6.814 -1.010 101 2HB GLU 12 1HB GLU 12 -5.369 -6.306 0.007 102 1HG GLU 12 2HG GLU 12 -6.752 -6.452 2.000 103 2HG GLU 12 1HG GLU 12 -8.179 -6.804 1.028 104 H LEU 13 H LEU 13 -4.534 -4.465 0.613 105 HA LEU 13 HA LEU 13 -4.973 -3.758 3.287 106 1HB LEU 13 2HB LEU 13 -2.775 -4.302 1.813 107 2HB LEU 13 1HB LEU 13 -2.622 -2.551 1.935 108 HG LEU 13 HG LEU 13 -2.983 -4.453 4.274 109 1HD1 LEU 13 1HD1 LEU 13 -0.756 -4.596 3.168 110 2HD1 LEU 13 2HD1 LEU 13 -0.650 -3.922 4.793 111 3HD1 LEU 13 3HD1 LEU 13 -0.557 -2.857 3.391 112 1HD2 LEU 13 1HD2 LEU 13 -2.238 -2.272 5.497 113 2HD2 LEU 13 2HD2 LEU 13 -3.915 -2.405 4.972 114 3HD2 LEU 13 3HD2 LEU 13 -2.767 -1.455 4.028 115 H ALA 14 H ALA 14 -4.509 -1.672 0.434 116 HA ALA 14 HA ALA 14 -4.501 0.802 1.712 117 1HB ALA 14 1HB ALA 14 -5.282 1.729 -0.448 118 2HB ALA 14 2HB ALA 14 -5.630 0.093 -1.005 119 3HB ALA 14 3HB ALA 14 -3.969 0.570 -0.655 120 H ALA 15 H ALA 15 -7.328 -0.687 0.106 121 HA ALA 15 HA ALA 15 -9.217 1.143 1.073 122 1HB ALA 15 1HB ALA 15 -10.860 -0.321 0.236 123 2HB ALA 15 2HB ALA 15 -9.860 -1.745 0.515 124 3HB ALA 15 3HB ALA 15 -9.454 -0.624 -0.784 125 H LYS 16 H LYS 16 -8.030 -1.884 2.468 126 HA LYS 16 HA LYS 16 -9.910 -2.102 4.562 127 1HB LYS 16 2HB LYS 16 -8.327 -3.912 3.826 128 2HB LYS 16 1HB LYS 16 -7.027 -3.025 4.625 129 1HG LYS 16 2HG LYS 16 -8.452 -3.088 6.739 130 2HG LYS 16 1HG LYS 16 -9.493 -4.236 5.897 131 1HD LYS 16 2HD LYS 16 -7.619 -5.772 5.592 132 2HD LYS 16 1HD LYS 16 -6.513 -4.607 6.322 133 1HE LYS 16 2HE LYS 16 -7.891 -4.712 8.423 134 2HE LYS 16 1HE LYS 16 -8.833 -6.007 7.683 135 1HZ LYS 16 1HZ LYS 16 -5.886 -6.122 7.942 136 2HZ LYS 16 2HZ LYS 16 -6.954 -7.392 7.580 137 3HZ LYS 16 3HZ LYS 16 -6.929 -6.717 9.139 138 H ALA 17 H ALA 17 -6.503 -1.088 4.829 139 HA ALA 17 HA ALA 17 -6.706 0.026 7.387 140 1HB ALA 17 1HB ALA 17 -4.551 0.886 7.033 141 2HB ALA 17 2HB ALA 17 -4.817 1.096 5.302 142 3HB ALA 17 3HB ALA 17 -4.607 -0.521 5.973 143 H LYS 18 H LYS 18 -7.779 1.204 4.331 144 HA LYS 18 HA LYS 18 -7.827 4.001 5.086 145 1HB LYS 18 2HB LYS 18 -7.605 3.346 2.727 146 2HB LYS 18 1HB LYS 18 -9.183 2.562 2.789 147 1HG LYS 18 2HG LYS 18 -10.266 4.699 3.267 148 2HG LYS 18 1HG LYS 18 -8.699 5.507 3.338 149 1HD LYS 18 2HD LYS 18 -8.289 4.903 0.969 150 2HD LYS 18 1HD LYS 18 -9.873 4.132 0.899 151 1HE LYS 18 2HE LYS 18 -9.313 7.069 1.409 152 2HE LYS 18 1HE LYS 18 -10.064 6.370 -0.026 153 1HZ LYS 18 1HZ LYS 18 -11.756 7.228 1.409 154 2HZ LYS 18 2HZ LYS 18 -11.154 6.350 2.734 155 3HZ LYS 18 3HZ LYS 18 -11.854 5.535 1.418 156 H ALA 19 H ALA 19 -10.306 1.496 4.541 157 HA ALA 19 HA ALA 19 -12.442 3.113 5.559 158 1HB ALA 19 1HB ALA 19 -13.110 1.468 4.020 159 2HB ALA 19 2HB ALA 19 -13.631 0.819 5.574 160 3HB ALA 19 3HB ALA 19 -12.162 0.211 4.813 161 H GLY 20 H GLY 20 -9.900 1.674 7.128 162 1HA GLY 20 2HA GLY 20 -11.458 0.933 9.516 163 2HA GLY 20 1HA GLY 20 -9.759 0.567 9.237 164 H VAL 21 H VAL 21 -8.246 2.422 9.234 165 HA VAL 21 HA VAL 21 -9.087 4.908 10.446 166 HB VAL 21 HB VAL 21 -7.475 4.616 12.399 167 1HG1 VAL 21 1HG1 VAL 21 -9.167 3.786 13.808 168 2HG1 VAL 21 2HG1 VAL 21 -9.785 2.688 12.576 169 3HG1 VAL 21 3HG1 VAL 21 -10.061 4.424 12.429 170 1HG2 VAL 21 1HG2 VAL 21 -6.237 2.677 11.754 171 2HG2 VAL 21 2HG2 VAL 21 -7.706 1.749 11.452 172 3HG2 VAL 21 3HG2 VAL 21 -7.250 2.166 13.103 173 H ILE 22 H ILE 22 -6.364 2.753 9.768 174 HA ILE 22 HA ILE 22 -4.371 3.074 8.708 175 HB ILE 22 HB ILE 22 -6.125 4.856 7.397 176 1HG1 ILE 22 2HG1 ILE 22 -3.296 4.091 6.615 177 2HG1 ILE 22 1HG1 ILE 22 -4.673 2.996 6.492 178 1HG2 ILE 22 1HG2 ILE 22 -4.550 6.691 6.759 179 2HG2 ILE 22 2HG2 ILE 22 -3.445 6.143 8.019 180 3HG2 ILE 22 3HG2 ILE 22 -5.036 6.770 8.452 181 1HD1 ILE 22 1HD1 ILE 22 -5.815 4.772 5.074 182 2HD1 ILE 22 2HD1 ILE 22 -4.411 4.006 4.331 183 3HD1 ILE 22 3HD1 ILE 22 -4.268 5.616 5.032 184 H THR 23 H THR 23 -2.564 3.401 9.784 185 HA THR 23 HA THR 23 -2.302 5.840 11.442 186 HB THR 23 HB THR 23 -1.235 4.590 13.158 187 HG1 THR 23 HG1 THR 23 -0.159 2.864 12.696 188 1HG2 THR 23 1HG2 THR 23 -3.804 4.269 12.733 189 2HG2 THR 23 2HG2 THR 23 -2.991 3.244 13.915 190 3HG2 THR 23 3HG2 THR 23 -3.341 2.622 12.303 191 H GLU 24 H GLU 24 0.070 6.246 12.005 192 HA GLU 24 HA GLU 24 1.540 6.841 9.736 193 1HB GLU 24 2HB GLU 24 2.634 6.242 12.496 194 2HB GLU 24 1HB GLU 24 3.461 7.146 11.230 195 1HG GLU 24 2HG GLU 24 2.106 9.001 11.471 196 2HG GLU 24 1HG GLU 24 0.726 8.055 12.024 197 H GLU 25 H GLU 25 1.741 3.968 11.805 198 HA GLU 25 HA GLU 25 3.935 2.722 10.569 199 1HB GLU 25 2HB GLU 25 1.535 1.441 11.904 200 2HB GLU 25 1HB GLU 25 3.068 0.641 11.561 201 1HG GLU 25 2HG GLU 25 3.398 1.294 13.769 202 2HG GLU 25 1HG GLU 25 4.092 2.665 12.907 203 H GLU 26 H GLU 26 0.445 2.306 9.986 204 HA GLU 26 HA GLU 26 0.709 0.479 7.836 205 1HB GLU 26 2HB GLU 26 -1.570 2.425 8.256 206 2HB GLU 26 1HB GLU 26 -1.624 0.866 7.433 207 1HG GLU 26 2HG GLU 26 -1.032 1.274 10.380 208 2HG GLU 26 1HG GLU 26 -2.565 0.715 9.717 209 H LYS 27 H LYS 27 0.068 3.978 7.872 210 HA LYS 27 HA LYS 27 0.003 4.452 5.135 211 1HB LYS 27 2HB LYS 27 -0.485 6.050 7.078 212 2HB LYS 27 1HB LYS 27 1.252 6.354 7.114 213 1HG LYS 27 2HG LYS 27 1.109 6.917 4.648 214 2HG LYS 27 1HG LYS 27 -0.647 6.837 4.803 215 1HD LYS 27 2HD LYS 27 1.174 8.667 6.401 216 2HD LYS 27 1HD LYS 27 0.168 9.161 5.040 217 1HE LYS 27 2HE LYS 27 -1.317 9.659 6.717 218 2HE LYS 27 1HE LYS 27 -1.714 7.949 6.551 219 1HZ LYS 27 1HZ LYS 27 0.279 9.061 8.451 220 2HZ LYS 27 2HZ LYS 27 -0.177 7.429 8.314 221 3HZ LYS 27 3HZ LYS 27 -1.295 8.584 8.860 222 H ALA 28 H ALA 28 2.802 4.349 7.323 223 HA ALA 28 HA ALA 28 4.760 5.164 5.469 224 1HB ALA 28 1HB ALA 28 5.462 5.147 7.709 225 2HB ALA 28 2HB ALA 28 6.300 3.759 7.013 226 3HB ALA 28 3HB ALA 28 4.849 3.516 7.986 227 H GLU 29 H GLU 29 3.465 1.960 6.260 228 HA GLU 29 HA GLU 29 5.213 0.391 4.736 229 1HB GLU 29 2HB GLU 29 3.259 -0.259 6.377 230 2HB GLU 29 1HB GLU 29 2.297 -0.299 4.900 231 1HG GLU 29 2HG GLU 29 4.832 -1.874 5.443 232 2HG GLU 29 1HG GLU 29 3.198 -2.524 5.334 233 H GLN 30 H GLN 30 1.938 1.456 3.812 234 HA GLN 30 HA GLN 30 1.908 0.658 1.181 235 1HB GLN 30 2HB GLN 30 0.752 3.281 2.137 236 2HB GLN 30 1HB GLN 30 0.170 2.263 0.820 237 1HG GLN 30 2HG GLN 30 0.114 0.477 2.871 238 2HG GLN 30 1HG GLN 30 -0.212 1.973 3.745 239 1HE2 GLN 30 1HE2 GLN 30 -1.246 0.532 0.589 240 2HE2 GLN 30 2HE2 GLN 30 -2.888 0.904 0.802 241 H GLN 31 H GLN 31 3.389 3.557 2.546 242 HA GLN 31 HA GLN 31 3.925 4.979 0.209 243 1HB GLN 31 2HB GLN 31 4.293 5.693 2.637 244 2HB GLN 31 1HB GLN 31 5.831 4.834 2.543 245 1HG GLN 31 2HG GLN 31 6.531 6.220 0.657 246 2HG GLN 31 1HG GLN 31 4.966 7.033 0.642 247 1HE2 GLN 31 1HE2 GLN 31 8.093 6.923 2.203 248 2HE2 GLN 31 2HE2 GLN 31 7.812 8.198 3.289 249 H LYS 32 H LYS 32 5.876 2.459 1.796 250 HA LYS 32 HA LYS 32 8.101 2.568 0.096 251 1HB LYS 32 2HB LYS 32 7.866 1.286 2.282 252 2HB LYS 32 1HB LYS 32 7.031 0.040 1.357 253 1HG LYS 32 2HG LYS 32 9.184 -0.765 1.171 254 2HG LYS 32 1HG LYS 32 9.179 0.315 -0.224 255 1HD LYS 32 2HD LYS 32 10.016 2.129 1.419 256 2HD LYS 32 1HD LYS 32 10.373 0.788 2.509 257 1HE LYS 32 2HE LYS 32 11.598 -0.248 0.453 258 2HE LYS 32 1HE LYS 32 11.573 1.395 -0.187 259 1HZ LYS 32 1HZ LYS 32 13.359 1.775 1.045 260 2HZ LYS 32 2HZ LYS 32 13.220 0.282 1.844 261 3HZ LYS 32 3HZ LYS 32 12.384 1.643 2.427 262 H LEU 33 H LEU 33 5.420 0.194 -0.038 263 HA LEU 33 HA LEU 33 6.138 -0.950 -2.492 264 1HB LEU 33 2HB LEU 33 3.284 -0.685 -1.557 265 2HB LEU 33 1HB LEU 33 4.008 -1.982 -2.502 266 HG LEU 33 HG LEU 33 4.505 -1.343 0.419 267 1HD1 LEU 33 1HD1 LEU 33 2.492 -2.651 0.001 268 2HD1 LEU 33 2HD1 LEU 33 3.727 -3.706 0.686 269 3HD1 LEU 33 3HD1 LEU 33 3.386 -3.754 -1.045 270 1HD2 LEU 33 1HD2 LEU 33 6.003 -3.424 0.255 271 2HD2 LEU 33 2HD2 LEU 33 6.655 -1.939 -0.436 272 3HD2 LEU 33 3HD2 LEU 33 5.974 -3.177 -1.492 273 H ARG 34 H ARG 34 3.608 1.503 -1.884 274 HA ARG 34 HA ARG 34 2.796 1.979 -4.476 275 1HB ARG 34 2HB ARG 34 3.035 3.831 -2.109 276 2HB ARG 34 1HB ARG 34 2.366 4.369 -3.648 277 1HG ARG 34 2HG ARG 34 0.654 2.626 -3.560 278 2HG ARG 34 1HG ARG 34 1.352 1.982 -2.073 279 1HD ARG 34 2HD ARG 34 -0.673 3.524 -1.794 280 2HD ARG 34 1HD ARG 34 0.745 3.915 -0.826 281 HE ARG 34 HE ARG 34 0.977 5.352 -3.206 282 1HH1 ARG 34 1HH2 ARG 34 -1.187 5.110 -0.510 283 2HH1 ARG 34 2HH2 ARG 34 -1.676 6.770 -0.582 284 1HH2 ARG 34 1HH1 ARG 34 0.340 7.525 -3.299 285 2HH2 ARG 34 2HH1 ARG 34 -0.815 8.136 -2.161 286 H GLN 35 H GLN 35 5.576 3.384 -2.780 287 HA GLN 35 HA GLN 35 6.347 5.220 -4.773 288 1HB GLN 35 2HB GLN 35 7.241 5.291 -2.492 289 2HB GLN 35 1HB GLN 35 8.062 3.752 -2.751 290 1HG GLN 35 2HG GLN 35 8.576 5.989 -4.679 291 2HG GLN 35 1HG GLN 35 9.345 6.052 -3.095 292 1HE2 GLN 35 1HE2 GLN 35 10.145 5.214 -6.111 293 2HE2 GLN 35 2HE2 GLN 35 11.131 3.863 -5.823 294 H GLU 36 H GLU 36 7.233 1.820 -4.254 295 HA GLU 36 HA GLU 36 9.129 1.661 -6.360 296 1HB GLU 36 2HB GLU 36 8.705 0.012 -4.407 297 2HB GLU 36 1HB GLU 36 7.460 -0.672 -5.454 298 1HG GLU 36 2HG GLU 36 9.303 -0.736 -7.273 299 2HG GLU 36 1HG GLU 36 10.433 -0.505 -5.941 300 H TYR 37 H TYR 37 5.635 1.140 -6.214 301 HA TYR 37 HA TYR 37 5.184 -0.049 -8.683 302 1HB TYR 37 2HB TYR 37 3.444 0.372 -6.939 303 2HB TYR 37 1HB TYR 37 3.445 2.074 -7.401 304 HD1 TYR 37 HD1 TYR 37 2.915 -1.375 -8.741 305 HD2 TYR 37 HD2 TYR 37 2.196 2.830 -9.262 306 HE1 TYR 37 HE1 TYR 37 1.351 -1.872 -10.599 307 HE2 TYR 37 HE2 TYR 37 0.635 2.332 -11.121 308 HH TYR 37 HH TYR 37 0.502 0.025 -12.841 309 H LEU 38 H LEU 38 5.798 3.328 -7.899 310 HA LEU 38 HA LEU 38 5.144 4.484 -10.377 311 1HB LEU 38 2HB LEU 38 7.421 5.444 -8.649 312 2HB LEU 38 1HB LEU 38 6.326 6.396 -9.650 313 HG LEU 38 HG LEU 38 5.646 4.939 -7.080 314 1HD1 LEU 38 1HD1 LEU 38 5.246 7.116 -6.184 315 2HD1 LEU 38 2HD1 LEU 38 5.333 7.864 -7.779 316 3HD1 LEU 38 3HD1 LEU 38 6.793 7.220 -7.026 317 1HD2 LEU 38 1HD2 LEU 38 3.891 6.231 -9.176 318 2HD2 LEU 38 2HD2 LEU 38 3.366 6.077 -7.500 319 3HD2 LEU 38 3HD2 LEU 38 3.724 4.634 -8.446 320 H LYS 39 H LYS 39 8.060 2.866 -9.241 321 HA LYS 39 HA LYS 39 9.732 3.540 -11.439 322 1HB LYS 39 2HB LYS 39 10.507 2.634 -9.215 323 2HB LYS 39 1HB LYS 39 9.901 1.056 -9.719 324 1HG LYS 39 2HG LYS 39 11.352 1.379 -11.832 325 2HG LYS 39 1HG LYS 39 12.144 2.673 -10.932 326 1HD LYS 39 2HD LYS 39 12.801 1.135 -9.178 327 2HD LYS 39 1HD LYS 39 11.856 -0.166 -9.905 328 1HE LYS 39 2HE LYS 39 14.000 -0.655 -10.690 329 2HE LYS 39 1HE LYS 39 13.349 0.306 -12.018 330 1HZ LYS 39 1HZ LYS 39 15.156 1.210 -9.849 331 2HZ LYS 39 2HZ LYS 39 14.359 2.281 -10.903 332 3HZ LYS 39 3HZ LYS 39 15.480 1.160 -11.513 333 H GLY 40 H GLY 40 7.739 0.678 -10.720 334 1HA GLY 40 2HA GLY 40 8.331 -0.631 -13.203 335 2HA GLY 40 1HA GLY 40 7.089 -1.099 -12.047 336 H PHE 41 H PHE 41 6.569 2.094 -12.618 337 HA PHE 41 HA PHE 41 4.173 1.702 -14.057 338 1HB PHE 41 2HB PHE 41 4.573 3.664 -12.619 339 2HB PHE 41 1HB PHE 41 5.799 4.238 -13.748 340 HD1 PHE 41 HD1 PHE 41 5.205 5.299 -15.819 341 HD2 PHE 41 HD2 PHE 41 2.180 3.523 -13.340 342 HE1 PHE 41 HE1 PHE 41 3.446 6.381 -17.190 343 HE2 PHE 41 HE2 PHE 41 0.422 4.606 -14.710 344 HZ PHE 41 HZ PHE 41 1.054 6.036 -16.636 345 H ARG 42 H ARG 42 3.666 1.827 -16.195 346 HA ARG 42 HA ARG 42 5.828 1.547 -18.096 347 1HB ARG 42 2HB ARG 42 2.872 1.759 -18.701 348 2HB ARG 42 1HB ARG 42 4.130 1.032 -19.700 349 1HG ARG 42 2HG ARG 42 4.514 -0.679 -17.935 350 2HG ARG 42 1HG ARG 42 3.197 0.024 -16.994 351 1HD ARG 42 2HD ARG 42 2.339 -1.875 -18.249 352 2HD ARG 42 1HD ARG 42 1.658 -0.394 -18.913 353 HE ARG 42 HE ARG 42 4.080 -1.384 -20.209 354 1HH1 ARG 42 1HH2 ARG 42 0.617 -1.196 -20.142 355 2HH1 ARG 42 2HH2 ARG 42 0.432 -1.594 -21.818 356 1HH2 ARG 42 1HH1 ARG 42 3.833 -1.907 -22.398 357 2HH2 ARG 42 2HH1 ARG 42 2.249 -1.996 -23.093 Start of MODEL 8 1 1H MET 1 1HT MET 1 8.512 -9.337 -1.500 2 2H MET 1 2HT MET 1 7.570 -10.719 -1.201 3 3H MET 1 3HT MET 1 7.017 -9.187 -0.715 4 HA MET 1 HA MET 1 5.947 -8.987 -2.620 5 1HB MET 1 2HB MET 1 7.276 -8.575 -4.644 6 2HB MET 1 1HB MET 1 8.020 -7.787 -3.254 7 1HG MET 1 2HG MET 1 9.295 -10.144 -3.096 8 2HG MET 1 1HG MET 1 8.963 -10.138 -4.829 9 1HE MET 1 1HE MET 1 9.854 -7.893 -1.931 10 2HE MET 1 2HE MET 1 11.360 -7.102 -2.385 11 3HE MET 1 3HE MET 1 11.349 -8.830 -2.044 12 H ILE 2 H ILE 2 5.552 -10.037 -4.869 13 HA ILE 2 HA ILE 2 6.309 -12.803 -5.164 14 HB ILE 2 HB ILE 2 4.600 -12.990 -3.386 15 1HG1 ILE 2 2HG1 ILE 2 3.564 -13.950 -6.076 16 2HG1 ILE 2 1HG1 ILE 2 4.816 -14.766 -5.139 17 1HG2 ILE 2 1HG2 ILE 2 2.520 -12.047 -5.326 18 2HG2 ILE 2 2HG2 ILE 2 3.401 -10.858 -4.369 19 3HG2 ILE 2 3HG2 ILE 2 2.456 -12.109 -3.567 20 1HD1 ILE 2 1HD1 ILE 2 2.935 -15.919 -4.415 21 2HD1 ILE 2 2HD1 ILE 2 1.882 -14.514 -4.580 22 3HD1 ILE 2 3HD1 ILE 2 2.992 -14.629 -3.214 23 H SER 3 H SER 3 4.934 -9.888 -6.225 24 HA SER 3 HA SER 3 4.470 -9.095 -8.332 25 1HB SER 3 2HB SER 3 6.371 -10.848 -8.891 26 2HB SER 3 1HB SER 3 5.033 -11.757 -9.588 27 HG SER 3 HG SER 3 5.185 -10.454 -11.215 28 H ASN 4 H ASN 4 2.638 -10.791 -6.586 29 HA ASN 4 HA ASN 4 0.423 -10.865 -8.470 30 1HB ASN 4 2HB ASN 4 1.010 -13.086 -8.851 31 2HB ASN 4 1HB ASN 4 1.606 -13.318 -7.210 32 1HD2 ASN 4 1HD2 ASN 4 -1.552 -11.859 -8.036 33 2HD2 ASN 4 2HD2 ASN 4 -2.476 -13.096 -7.337 34 H ALA 5 H ALA 5 0.827 -12.484 -5.327 35 HA ALA 5 HA ALA 5 -1.555 -11.458 -4.236 36 1HB ALA 5 1HB ALA 5 0.652 -12.147 -2.370 37 2HB ALA 5 2HB ALA 5 0.126 -13.412 -3.479 38 3HB ALA 5 3HB ALA 5 -1.030 -12.674 -2.371 39 H LYS 6 H LYS 6 1.527 -10.018 -4.646 40 HA LYS 6 HA LYS 6 1.461 -8.163 -2.481 41 1HB LYS 6 2HB LYS 6 3.550 -8.665 -3.648 42 2HB LYS 6 1HB LYS 6 2.887 -8.028 -5.153 43 1HG LYS 6 2HG LYS 6 2.658 -5.803 -4.134 44 2HG LYS 6 1HG LYS 6 3.270 -6.428 -2.603 45 1HD LYS 6 2HD LYS 6 5.428 -6.902 -3.574 46 2HD LYS 6 1HD LYS 6 4.835 -6.541 -5.195 47 1HE LYS 6 2HE LYS 6 4.290 -4.189 -4.270 48 2HE LYS 6 1HE LYS 6 5.328 -4.625 -2.913 49 1HZ LYS 6 1HZ LYS 6 7.178 -4.753 -4.251 50 2HZ LYS 6 2HZ LYS 6 6.340 -3.460 -4.968 51 3HZ LYS 6 3HZ LYS 6 6.285 -5.006 -5.671 52 H ILE 7 H ILE 7 0.553 -7.956 -5.914 53 HA ILE 7 HA ILE 7 -0.264 -5.286 -5.987 54 HB ILE 7 HB ILE 7 -1.481 -7.624 -7.483 55 1HG1 ILE 7 2HG1 ILE 7 0.650 -5.772 -8.536 56 2HG1 ILE 7 1HG1 ILE 7 1.102 -7.175 -7.568 57 1HG2 ILE 7 1HG2 ILE 7 -2.859 -5.638 -7.683 58 2HG2 ILE 7 2HG2 ILE 7 -1.959 -5.831 -9.187 59 3HG2 ILE 7 3HG2 ILE 7 -1.443 -4.633 -7.998 60 1HD1 ILE 7 1HD1 ILE 7 -0.206 -8.624 -9.127 61 2HD1 ILE 7 2HD1 ILE 7 1.131 -7.794 -9.925 62 3HD1 ILE 7 3HD1 ILE 7 -0.519 -7.206 -10.130 63 H ALA 8 H ALA 8 -2.245 -8.197 -5.435 64 HA ALA 8 HA ALA 8 -4.676 -6.938 -4.906 65 1HB ALA 8 1HB ALA 8 -4.437 -9.366 -5.257 66 2HB ALA 8 2HB ALA 8 -5.313 -9.009 -3.768 67 3HB ALA 8 3HB ALA 8 -3.623 -9.506 -3.700 68 H ARG 9 H ARG 9 -1.911 -7.534 -2.791 69 HA ARG 9 HA ARG 9 -3.191 -6.895 -0.348 70 1HB ARG 9 2HB ARG 9 -0.986 -8.014 -0.459 71 2HB ARG 9 1HB ARG 9 -0.276 -6.527 -1.090 72 1HG ARG 9 2HG ARG 9 -0.858 -5.324 0.944 73 2HG ARG 9 1HG ARG 9 -1.720 -6.729 1.569 74 1HD ARG 9 2HD ARG 9 0.542 -7.972 1.286 75 2HD ARG 9 1HD ARG 9 1.245 -6.359 1.194 76 HE ARG 9 HE ARG 9 -0.390 -6.379 3.450 77 1HH1 ARG 9 1HH2 ARG 9 2.403 -8.046 2.253 78 2HH1 ARG 9 2HH2 ARG 9 3.059 -8.353 3.826 79 1HH2 ARG 9 1HH1 ARG 9 0.472 -6.779 5.509 80 2HH2 ARG 9 2HH1 ARG 9 1.971 -7.633 5.666 81 H ILE 10 H ILE 10 -1.334 -4.928 -2.652 82 HA ILE 10 HA ILE 10 -1.301 -2.504 -1.324 83 HB ILE 10 HB ILE 10 -1.603 -3.031 -4.289 84 1HG1 ILE 10 2HG1 ILE 10 0.868 -2.282 -2.704 85 2HG1 ILE 10 1HG1 ILE 10 0.422 -3.956 -3.029 86 1HG2 ILE 10 1HG2 ILE 10 -2.253 -0.744 -3.871 87 2HG2 ILE 10 2HG2 ILE 10 -0.598 -0.717 -4.478 88 3HG2 ILE 10 3HG2 ILE 10 -0.906 -0.512 -2.754 89 1HD1 ILE 10 1HD1 ILE 10 1.856 -3.466 -4.817 90 2HD1 ILE 10 2HD1 ILE 10 1.256 -1.815 -4.972 91 3HD1 ILE 10 3HD1 ILE 10 0.266 -3.168 -5.519 92 H ASN 11 H ASN 11 -3.693 -3.341 -3.863 93 HA ASN 11 HA ASN 11 -5.414 -1.183 -3.288 94 1HB ASN 11 2HB ASN 11 -7.163 -2.596 -4.493 95 2HB ASN 11 1HB ASN 11 -5.698 -2.226 -5.396 96 1HD2 ASN 11 1HD2 ASN 11 -7.607 -4.607 -5.596 97 2HD2 ASN 11 2HD2 ASN 11 -6.599 -5.964 -5.433 98 H GLU 12 H GLU 12 -5.315 -4.481 -2.014 99 HA GLU 12 HA GLU 12 -7.764 -4.428 -0.612 100 1HB GLU 12 2HB GLU 12 -6.494 -6.500 -0.985 101 2HB GLU 12 1HB GLU 12 -5.215 -5.912 0.078 102 1HG GLU 12 2HG GLU 12 -6.645 -5.965 1.989 103 2HG GLU 12 1HG GLU 12 -8.086 -6.169 0.994 104 H LEU 13 H LEU 13 -4.449 -3.761 0.528 105 HA LEU 13 HA LEU 13 -5.115 -2.990 3.144 106 1HB LEU 13 2HB LEU 13 -2.778 -3.333 1.811 107 2HB LEU 13 1HB LEU 13 -2.847 -1.573 1.864 108 HG LEU 13 HG LEU 13 -3.210 -3.359 4.289 109 1HD1 LEU 13 1HD1 LEU 13 -0.946 -3.653 3.639 110 2HD1 LEU 13 2HD1 LEU 13 -0.895 -2.379 4.857 111 3HD1 LEU 13 3HD1 LEU 13 -0.782 -1.968 3.146 112 1HD2 LEU 13 1HD2 LEU 13 -2.530 -1.011 5.318 113 2HD2 LEU 13 2HD2 LEU 13 -4.202 -1.330 4.861 114 3HD2 LEU 13 3HD2 LEU 13 -3.159 -0.398 3.789 115 H ALA 14 H ALA 14 -4.860 -1.101 0.149 116 HA ALA 14 HA ALA 14 -5.161 1.465 1.202 117 1HB ALA 14 1HB ALA 14 -6.293 1.940 -1.065 118 2HB ALA 14 2HB ALA 14 -5.983 0.242 -1.428 119 3HB ALA 14 3HB ALA 14 -4.638 1.331 -1.096 120 H ALA 15 H ALA 15 -7.696 -0.760 0.027 121 HA ALA 15 HA ALA 15 -9.893 0.864 0.769 122 1HB ALA 15 1HB ALA 15 -11.246 -1.089 0.398 123 2HB ALA 15 2HB ALA 15 -9.858 -2.157 0.601 124 3HB ALA 15 3HB ALA 15 -9.960 -1.103 -0.809 125 H LYS 16 H LYS 16 -8.072 -1.634 2.470 126 HA LYS 16 HA LYS 16 -9.730 -1.888 4.734 127 1HB LYS 16 2HB LYS 16 -7.696 -3.328 4.004 128 2HB LYS 16 1HB LYS 16 -6.731 -2.132 4.868 129 1HG LYS 16 2HG LYS 16 -8.218 -2.510 6.878 130 2HG LYS 16 1HG LYS 16 -8.955 -3.853 6.001 131 1HD LYS 16 2HD LYS 16 -6.745 -4.937 5.795 132 2HD LYS 16 1HD LYS 16 -6.006 -3.596 6.671 133 1HE LYS 16 2HE LYS 16 -7.417 -4.101 8.636 134 2HE LYS 16 1HE LYS 16 -8.149 -5.448 7.762 135 1HZ LYS 16 1HZ LYS 16 -6.436 -6.354 9.075 136 2HZ LYS 16 2HZ LYS 16 -5.327 -5.151 8.614 137 3HZ LYS 16 3HZ LYS 16 -5.827 -6.322 7.492 138 H ALA 17 H ALA 17 -6.667 -0.090 4.412 139 HA ALA 17 HA ALA 17 -6.874 1.357 6.815 140 1HB ALA 17 1HB ALA 17 -5.449 1.969 4.216 141 2HB ALA 17 2HB ALA 17 -4.758 1.284 5.688 142 3HB ALA 17 3HB ALA 17 -5.289 2.967 5.661 143 H LYS 18 H LYS 18 -8.555 1.691 3.810 144 HA LYS 18 HA LYS 18 -9.180 4.455 3.921 145 1HB LYS 18 2HB LYS 18 -9.674 2.753 2.024 146 2HB LYS 18 1HB LYS 18 -11.131 2.372 2.941 147 1HG LYS 18 2HG LYS 18 -11.826 4.720 2.867 148 2HG LYS 18 1HG LYS 18 -10.344 5.149 2.011 149 1HD LYS 18 2HD LYS 18 -11.027 4.142 0.035 150 2HD LYS 18 1HD LYS 18 -12.081 2.996 0.862 151 1HE LYS 18 2HE LYS 18 -13.699 4.749 1.340 152 2HE LYS 18 1HE LYS 18 -12.620 5.974 0.672 153 1HZ LYS 18 1HZ LYS 18 -13.171 5.440 -1.412 154 2HZ LYS 18 2HZ LYS 18 -14.533 4.696 -0.718 155 3HZ LYS 18 3HZ LYS 18 -13.164 3.771 -1.107 156 H ALA 19 H ALA 19 -11.292 1.715 4.802 157 HA ALA 19 HA ALA 19 -12.886 3.377 6.554 158 1HB ALA 19 1HB ALA 19 -13.633 1.297 5.164 159 2HB ALA 19 2HB ALA 19 -14.286 1.511 6.787 160 3HB ALA 19 3HB ALA 19 -12.972 0.368 6.509 161 H GLY 20 H GLY 20 -9.920 1.878 6.783 162 1HA GLY 20 2HA GLY 20 -10.108 1.319 9.669 163 2HA GLY 20 1HA GLY 20 -8.806 0.803 8.601 164 H VAL 21 H VAL 21 -9.613 3.925 7.842 165 HA VAL 21 HA VAL 21 -8.791 6.010 8.294 166 HB VAL 21 HB VAL 21 -7.356 5.026 10.741 167 1HG1 VAL 21 1HG1 VAL 21 -7.173 7.391 10.028 168 2HG1 VAL 21 2HG1 VAL 21 -8.021 7.248 11.568 169 3HG1 VAL 21 3HG1 VAL 21 -8.930 7.538 10.085 170 1HG2 VAL 21 1HG2 VAL 21 -9.713 5.630 11.825 171 2HG2 VAL 21 2HG2 VAL 21 -9.370 3.997 11.255 172 3HG2 VAL 21 3HG2 VAL 21 -10.310 5.102 10.252 173 H ILE 22 H ILE 22 -6.399 3.751 9.547 174 HA ILE 22 HA ILE 22 -4.522 3.101 8.008 175 HB ILE 22 HB ILE 22 -4.755 5.123 6.560 176 1HG1 ILE 22 2HG1 ILE 22 -2.186 5.664 6.628 177 2HG1 ILE 22 1HG1 ILE 22 -2.133 4.382 7.836 178 1HG2 ILE 22 1HG2 ILE 22 -4.880 6.579 8.819 179 2HG2 ILE 22 2HG2 ILE 22 -4.313 7.265 7.297 180 3HG2 ILE 22 3HG2 ILE 22 -3.149 6.722 8.506 181 1HD1 ILE 22 1HD1 ILE 22 -1.736 3.617 5.451 182 2HD1 ILE 22 2HD1 ILE 22 -3.415 4.038 5.115 183 3HD1 ILE 22 3HD1 ILE 22 -3.040 2.778 6.291 184 H THR 23 H THR 23 -2.651 2.598 9.047 185 HA THR 23 HA THR 23 -2.245 3.846 11.695 186 HB THR 23 HB THR 23 -1.230 1.795 12.405 187 HG1 THR 23 HG1 THR 23 -1.555 0.815 9.775 188 1HG2 THR 23 1HG2 THR 23 -3.731 1.832 12.248 189 2HG2 THR 23 2HG2 THR 23 -3.047 0.213 12.107 190 3HG2 THR 23 3HG2 THR 23 -3.601 1.062 10.667 191 H GLU 24 H GLU 24 -0.112 4.344 12.372 192 HA GLU 24 HA GLU 24 1.498 5.689 10.567 193 1HB GLU 24 2HB GLU 24 2.163 4.405 13.220 194 2HB GLU 24 1HB GLU 24 3.326 5.378 12.320 195 1HG GLU 24 2HG GLU 24 2.245 6.857 13.871 196 2HG GLU 24 1HG GLU 24 1.595 7.228 12.275 197 H GLU 25 H GLU 25 1.839 2.365 11.759 198 HA GLU 25 HA GLU 25 4.199 1.695 10.385 199 1HB GLU 25 2HB GLU 25 2.007 -0.301 10.901 200 2HB GLU 25 1HB GLU 25 3.754 -0.527 10.984 201 1HG GLU 25 2HG GLU 25 3.708 1.181 12.913 202 2HG GLU 25 1HG GLU 25 1.962 0.931 12.934 203 H GLU 26 H GLU 26 0.785 1.213 9.475 204 HA GLU 26 HA GLU 26 1.286 -0.017 6.979 205 1HB GLU 26 2HB GLU 26 -1.083 1.469 8.102 206 2HB GLU 26 1HB GLU 26 -1.090 0.809 6.467 207 1HG GLU 26 2HG GLU 26 -0.717 -1.431 7.291 208 2HG GLU 26 1HG GLU 26 -0.451 -0.838 8.928 209 H LYS 27 H LYS 27 0.505 3.369 7.787 210 HA LYS 27 HA LYS 27 0.477 4.472 5.256 211 1HB LYS 27 2HB LYS 27 0.090 5.564 7.585 212 2HB LYS 27 1HB LYS 27 1.820 5.906 7.532 213 1HG LYS 27 2HG LYS 27 1.518 7.044 5.352 214 2HG LYS 27 1HG LYS 27 -0.216 6.731 5.440 215 1HD LYS 27 2HD LYS 27 -0.174 7.956 7.690 216 2HD LYS 27 1HD LYS 27 1.446 8.495 7.248 217 1HE LYS 27 2HE LYS 27 0.316 9.245 5.013 218 2HE LYS 27 1HE LYS 27 -1.182 9.148 5.937 219 1HZ LYS 27 1HZ LYS 27 -0.640 11.232 6.515 220 2HZ LYS 27 2HZ LYS 27 1.008 11.031 6.152 221 3HZ LYS 27 3HZ LYS 27 0.388 10.479 7.634 222 H ALA 28 H ALA 28 3.306 4.021 7.381 223 HA ALA 28 HA ALA 28 5.231 5.094 5.629 224 1HB ALA 28 1HB ALA 28 5.684 4.651 8.007 225 2HB ALA 28 2HB ALA 28 6.873 3.849 6.981 226 3HB ALA 28 3HB ALA 28 5.564 2.918 7.711 227 H GLU 29 H GLU 29 4.133 1.741 6.103 228 HA GLU 29 HA GLU 29 5.820 0.507 4.231 229 1HB GLU 29 2HB GLU 29 4.304 -0.613 5.946 230 2HB GLU 29 1HB GLU 29 2.977 -0.339 4.818 231 1HG GLU 29 2HG GLU 29 3.760 -2.534 4.336 232 2HG GLU 29 1HG GLU 29 4.422 -1.516 3.060 233 H GLN 30 H GLN 30 2.427 1.494 3.837 234 HA GLN 30 HA GLN 30 2.044 0.960 1.171 235 1HB GLN 30 2HB GLN 30 1.001 3.350 2.709 236 2HB GLN 30 1HB GLN 30 0.321 2.715 1.211 237 1HG GLN 30 2HG GLN 30 0.643 0.601 3.183 238 2HG GLN 30 1HG GLN 30 -0.338 1.917 3.824 239 1HE2 GLN 30 1HE2 GLN 30 -2.465 2.177 2.978 240 2HE2 GLN 30 2HE2 GLN 30 -3.111 1.178 1.767 241 H GLN 31 H GLN 31 3.768 3.697 2.582 242 HA GLN 31 HA GLN 31 3.894 5.396 0.377 243 1HB GLN 31 2HB GLN 31 4.716 5.899 2.701 244 2HB GLN 31 1HB GLN 31 6.144 4.926 2.344 245 1HG GLN 31 2HG GLN 31 6.664 6.394 0.423 246 2HG GLN 31 1HG GLN 31 5.243 7.372 0.789 247 1HE2 GLN 31 1HE2 GLN 31 8.584 7.008 1.457 248 2HE2 GLN 31 2HE2 GLN 31 8.666 8.064 2.784 249 H LYS 32 H LYS 32 6.285 2.921 1.336 250 HA LYS 32 HA LYS 32 7.930 3.186 -0.931 251 1HB LYS 32 2HB LYS 32 7.486 0.957 1.048 252 2HB LYS 32 1HB LYS 32 8.606 0.775 -0.303 253 1HG LYS 32 2HG LYS 32 9.815 2.805 0.428 254 2HG LYS 32 1HG LYS 32 8.708 2.967 1.793 255 1HD LYS 32 2HD LYS 32 9.422 0.770 2.650 256 2HD LYS 32 1HD LYS 32 10.514 0.584 1.278 257 1HE LYS 32 2HE LYS 32 11.935 1.401 2.959 258 2HE LYS 32 1HE LYS 32 11.513 2.860 2.063 259 1HZ LYS 32 1HZ LYS 32 11.292 2.753 4.655 260 2HZ LYS 32 2HZ LYS 32 9.790 2.050 4.287 261 3HZ LYS 32 3HZ LYS 32 10.164 3.606 3.718 262 H LEU 33 H LEU 33 5.442 0.711 -0.244 263 HA LEU 33 HA LEU 33 5.576 -0.655 -2.666 264 1HB LEU 33 2HB LEU 33 3.027 -0.174 -1.114 265 2HB LEU 33 1HB LEU 33 3.412 -1.550 -2.144 266 HG LEU 33 HG LEU 33 4.698 -0.834 0.505 267 1HD1 LEU 33 1HD1 LEU 33 2.494 -2.032 0.530 268 2HD1 LEU 33 2HD1 LEU 33 3.810 -2.975 1.229 269 3HD1 LEU 33 3HD1 LEU 33 3.239 -3.331 -0.400 270 1HD2 LEU 33 1HD2 LEU 33 6.520 -1.621 -0.777 271 2HD2 LEU 33 2HD2 LEU 33 5.516 -2.775 -1.655 272 3HD2 LEU 33 3HD2 LEU 33 5.931 -3.073 0.033 273 H ARG 34 H ARG 34 3.812 2.296 -1.856 274 HA ARG 34 HA ARG 34 2.322 2.427 -4.287 275 1HB ARG 34 2HB ARG 34 1.746 3.614 -2.146 276 2HB ARG 34 1HB ARG 34 3.075 4.726 -2.471 277 1HG ARG 34 2HG ARG 34 2.034 5.333 -4.631 278 2HG ARG 34 1HG ARG 34 0.697 4.233 -4.290 279 1HD ARG 34 2HD ARG 34 0.512 5.612 -2.055 280 2HD ARG 34 1HD ARG 34 1.390 6.837 -2.966 281 HE ARG 34 HE ARG 34 -0.504 7.155 -4.303 282 1HH1 ARG 34 1HH2 ARG 34 -0.841 4.378 -2.250 283 2HH1 ARG 34 2HH2 ARG 34 -2.532 4.183 -2.571 284 1HH2 ARG 34 1HH1 ARG 34 -2.713 6.898 -4.717 285 2HH2 ARG 34 2HH1 ARG 34 -3.591 5.609 -3.963 286 H GLN 35 H GLN 35 5.079 4.419 -3.168 287 HA GLN 35 HA GLN 35 5.530 5.666 -5.649 288 1HB GLN 35 2HB GLN 35 7.512 6.534 -4.692 289 2HB GLN 35 1HB GLN 35 6.392 6.360 -3.347 290 1HG GLN 35 2HG GLN 35 8.252 5.357 -2.421 291 2HG GLN 35 1HG GLN 35 7.517 3.952 -3.183 292 1HE2 GLN 35 1HE2 GLN 35 9.928 3.231 -3.108 293 2HE2 GLN 35 2HE2 GLN 35 10.895 3.663 -4.434 294 H GLU 36 H GLU 36 6.590 2.586 -4.373 295 HA GLU 36 HA GLU 36 8.704 2.098 -6.202 296 1HB GLU 36 2HB GLU 36 8.607 0.745 -4.242 297 2HB GLU 36 1HB GLU 36 6.942 0.267 -4.566 298 1HG GLU 36 2HG GLU 36 9.087 -0.369 -6.579 299 2HG GLU 36 1HG GLU 36 8.906 -1.384 -5.150 300 H TYR 37 H TYR 37 5.263 1.197 -6.223 301 HA TYR 37 HA TYR 37 5.154 -0.319 -8.531 302 1HB TYR 37 2HB TYR 37 3.232 0.041 -7.019 303 2HB TYR 37 1HB TYR 37 3.094 1.700 -7.603 304 HD1 TYR 37 HD1 TYR 37 3.142 -1.848 -8.803 305 HD2 TYR 37 HD2 TYR 37 1.818 2.175 -9.523 306 HE1 TYR 37 HE1 TYR 37 1.792 -2.636 -10.729 307 HE2 TYR 37 HE2 TYR 37 0.471 1.387 -11.448 308 HH TYR 37 HH TYR 37 -0.441 -1.626 -11.944 309 H LEU 38 H LEU 38 5.194 3.203 -8.210 310 HA LEU 38 HA LEU 38 4.616 3.910 -10.856 311 1HB LEU 38 2HB LEU 38 6.603 5.344 -9.081 312 2HB LEU 38 1HB LEU 38 5.615 6.034 -10.369 313 HG LEU 38 HG LEU 38 4.620 4.889 -7.741 314 1HD1 LEU 38 1HD1 LEU 38 3.761 7.264 -7.500 315 2HD1 LEU 38 2HD1 LEU 38 4.735 7.681 -8.910 316 3HD1 LEU 38 3HD1 LEU 38 5.516 7.099 -7.440 317 1HD2 LEU 38 1HD2 LEU 38 2.935 4.316 -9.296 318 2HD2 LEU 38 2HD2 LEU 38 3.189 5.779 -10.249 319 3HD2 LEU 38 3HD2 LEU 38 2.400 5.877 -8.674 320 H LYS 39 H LYS 39 7.844 3.661 -9.351 321 HA LYS 39 HA LYS 39 9.262 3.780 -11.810 322 1HB LYS 39 2HB LYS 39 9.990 2.939 -9.009 323 2HB LYS 39 1HB LYS 39 11.139 2.781 -10.335 324 1HG LYS 39 2HG LYS 39 11.488 4.927 -9.228 325 2HG LYS 39 1HG LYS 39 10.836 5.209 -10.841 326 1HD LYS 39 2HD LYS 39 8.670 5.704 -10.000 327 2HD LYS 39 1HD LYS 39 9.039 5.016 -8.419 328 1HE LYS 39 2HE LYS 39 10.168 6.887 -7.714 329 2HE LYS 39 1HE LYS 39 10.771 7.260 -9.330 330 1HZ LYS 39 1HZ LYS 39 8.763 8.562 -8.106 331 2HZ LYS 39 2HZ LYS 39 7.904 7.443 -9.055 332 3HZ LYS 39 3HZ LYS 39 8.999 8.516 -9.786 333 H GLY 40 H GLY 40 7.472 1.307 -10.309 334 1HA GLY 40 2HA GLY 40 8.932 -0.883 -11.583 335 2HA GLY 40 1HA GLY 40 7.556 -1.037 -10.498 336 H PHE 41 H PHE 41 6.492 1.292 -12.418 337 HA PHE 41 HA PHE 41 4.688 -0.328 -13.861 338 1HB PHE 41 2HB PHE 41 4.240 2.034 -13.289 339 2HB PHE 41 1HB PHE 41 5.501 2.539 -14.414 340 HD1 PHE 41 HD1 PHE 41 2.132 1.066 -14.102 341 HD2 PHE 41 HD2 PHE 41 5.186 2.368 -16.830 342 HE1 PHE 41 HE1 PHE 41 0.506 0.968 -15.972 343 HE2 PHE 41 HE2 PHE 41 3.559 2.270 -18.698 344 HZ PHE 41 HZ PHE 41 1.219 1.569 -18.270 345 H ARG 42 H ARG 42 5.066 -1.570 -15.567 346 HA ARG 42 HA ARG 42 7.020 -0.678 -17.593 347 1HB ARG 42 2HB ARG 42 6.847 -3.385 -16.264 348 2HB ARG 42 1HB ARG 42 7.644 -3.146 -17.819 349 1HG ARG 42 2HG ARG 42 9.365 -1.891 -16.906 350 2HG ARG 42 1HG ARG 42 8.379 -1.319 -15.562 351 1HD ARG 42 2HD ARG 42 10.135 -2.967 -14.872 352 2HD ARG 42 1HD ARG 42 8.498 -3.483 -14.475 353 HE ARG 42 HE ARG 42 9.104 -4.528 -16.997 354 1HH1 ARG 42 1HH2 ARG 42 10.215 -4.754 -13.722 355 2HH1 ARG 42 2HH2 ARG 42 10.763 -6.388 -13.878 356 1HH2 ARG 42 1HH1 ARG 42 9.818 -6.671 -17.200 357 2HH2 ARG 42 2HH1 ARG 42 10.534 -7.475 -15.843 Start of MODEL 9 1 1H MET 1 1HT MET 1 2.068 -7.028 -17.040 2 2H MET 1 2HT MET 1 2.056 -5.801 -18.213 3 3H MET 1 3HT MET 1 1.320 -7.296 -18.539 4 HA MET 1 HA MET 1 0.291 -4.999 -17.146 5 1HB MET 1 2HB MET 1 -0.979 -7.496 -18.317 6 2HB MET 1 1HB MET 1 -1.839 -6.035 -17.836 7 1HG MET 1 2HG MET 1 -1.562 -5.560 -20.075 8 2HG MET 1 1HG MET 1 -0.042 -4.903 -19.472 9 1HE MET 1 1HE MET 1 -0.021 -5.153 -22.132 10 2HE MET 1 2HE MET 1 -1.058 -6.517 -22.544 11 3HE MET 1 3HE MET 1 0.656 -6.570 -22.946 12 H ILE 2 H ILE 2 0.935 -5.194 -14.976 13 HA ILE 2 HA ILE 2 0.441 -7.603 -13.463 14 HB ILE 2 HB ILE 2 1.047 -4.840 -12.386 15 1HG1 ILE 2 2HG1 ILE 2 3.033 -7.006 -13.148 16 2HG1 ILE 2 1HG1 ILE 2 2.683 -5.607 -14.159 17 1HG2 ILE 2 1HG2 ILE 2 1.680 -5.926 -10.414 18 2HG2 ILE 2 2HG2 ILE 2 1.926 -7.473 -11.224 19 3HG2 ILE 2 3HG2 ILE 2 0.292 -6.885 -10.921 20 1HD1 ILE 2 1HD1 ILE 2 3.955 -5.664 -11.423 21 2HD1 ILE 2 2HD1 ILE 2 3.233 -4.190 -12.068 22 3HD1 ILE 2 3HD1 ILE 2 4.584 -4.951 -12.908 23 H SER 3 H SER 3 -1.213 -8.045 -12.094 24 HA SER 3 HA SER 3 -3.102 -6.158 -11.129 25 1HB SER 3 2HB SER 3 -3.898 -6.082 -13.427 26 2HB SER 3 1HB SER 3 -3.978 -7.840 -13.494 27 HG SER 3 HG SER 3 -5.621 -7.802 -12.000 28 H ASN 4 H ASN 4 -1.987 -7.706 -9.491 29 HA ASN 4 HA ASN 4 -3.977 -9.481 -8.507 30 1HB ASN 4 2HB ASN 4 -2.466 -11.561 -8.645 31 2HB ASN 4 1HB ASN 4 -3.327 -11.083 -10.103 32 1HD2 ASN 4 1HD2 ASN 4 -0.664 -9.016 -9.228 33 2HD2 ASN 4 2HD2 ASN 4 0.433 -9.608 -10.379 34 H ALA 5 H ALA 5 -1.013 -10.879 -7.861 35 HA ALA 5 HA ALA 5 -0.808 -10.685 -5.235 36 1HB ALA 5 1HB ALA 5 0.889 -11.742 -6.696 37 2HB ALA 5 2HB ALA 5 1.615 -10.794 -5.398 38 3HB ALA 5 3HB ALA 5 1.559 -10.148 -7.039 39 H LYS 6 H LYS 6 0.663 -8.115 -7.256 40 HA LYS 6 HA LYS 6 1.235 -6.431 -5.033 41 1HB LYS 6 2HB LYS 6 1.188 -6.013 -8.015 42 2HB LYS 6 1HB LYS 6 1.506 -4.677 -6.907 43 1HG LYS 6 2HG LYS 6 3.394 -5.891 -5.930 44 2HG LYS 6 1HG LYS 6 3.050 -7.290 -6.946 45 1HD LYS 6 2HD LYS 6 4.845 -6.073 -7.995 46 2HD LYS 6 1HD LYS 6 3.397 -5.801 -8.964 47 1HE LYS 6 2HE LYS 6 3.169 -3.594 -8.252 48 2HE LYS 6 1HE LYS 6 4.052 -3.878 -6.753 49 1HZ LYS 6 1HZ LYS 6 5.875 -4.448 -8.679 50 2HZ LYS 6 2HZ LYS 6 5.778 -2.990 -7.815 51 3HZ LYS 6 3HZ LYS 6 5.039 -3.125 -9.337 52 H ILE 7 H ILE 7 -1.033 -5.777 -7.723 53 HA ILE 7 HA ILE 7 -2.350 -3.633 -6.566 54 HB ILE 7 HB ILE 7 -3.177 -5.672 -8.614 55 1HG1 ILE 7 2HG1 ILE 7 -3.237 -3.520 -9.987 56 2HG1 ILE 7 1HG1 ILE 7 -2.531 -2.709 -8.591 57 1HG2 ILE 7 1HG2 ILE 7 -5.178 -4.100 -8.998 58 2HG2 ILE 7 2HG2 ILE 7 -4.879 -3.506 -7.365 59 3HG2 ILE 7 3HG2 ILE 7 -5.291 -5.201 -7.626 60 1HD1 ILE 7 1HD1 ILE 7 -0.536 -3.988 -8.719 61 2HD1 ILE 7 2HD1 ILE 7 -0.903 -3.577 -10.394 62 3HD1 ILE 7 3HD1 ILE 7 -1.277 -5.188 -9.781 63 H ALA 8 H ALA 8 -3.318 -7.068 -6.431 64 HA ALA 8 HA ALA 8 -5.650 -6.770 -4.934 65 1HB ALA 8 1HB ALA 8 -5.438 -9.100 -4.380 66 2HB ALA 8 2HB ALA 8 -3.702 -9.069 -4.690 67 3HB ALA 8 3HB ALA 8 -4.841 -8.886 -6.024 68 H ARG 9 H ARG 9 -2.284 -7.055 -3.848 69 HA ARG 9 HA ARG 9 -2.814 -7.264 -1.090 70 1HB ARG 9 2HB ARG 9 -0.601 -7.720 -2.069 71 2HB ARG 9 1HB ARG 9 -0.419 -6.010 -2.459 72 1HG ARG 9 2HG ARG 9 -0.649 -5.463 -0.040 73 2HG ARG 9 1HG ARG 9 -0.742 -7.188 0.318 74 1HD ARG 9 2HD ARG 9 1.585 -5.974 -1.181 75 2HD ARG 9 1HD ARG 9 1.557 -6.101 0.573 76 HE ARG 9 HE ARG 9 1.674 -8.464 0.377 77 1HH1 ARG 9 1HH2 ARG 9 1.577 -6.832 -2.684 78 2HH1 ARG 9 2HH2 ARG 9 2.122 -8.208 -3.584 79 1HH2 ARG 9 1HH1 ARG 9 2.384 -10.262 -0.804 80 2HH2 ARG 9 2HH1 ARG 9 2.574 -10.148 -2.522 81 H ILE 10 H ILE 10 -1.428 -4.366 -2.619 82 HA ILE 10 HA ILE 10 -1.995 -2.529 -0.658 83 HB ILE 10 HB ILE 10 -1.994 -2.138 -3.660 84 1HG1 ILE 10 2HG1 ILE 10 0.186 -1.377 -1.727 85 2HG1 ILE 10 1HG1 ILE 10 0.070 -3.035 -2.316 86 1HG2 ILE 10 1HG2 ILE 10 -2.084 -0.176 -1.367 87 2HG2 ILE 10 2HG2 ILE 10 -3.054 -0.195 -2.841 88 3HG2 ILE 10 3HG2 ILE 10 -1.352 0.262 -2.910 89 1HD1 ILE 10 1HD1 ILE 10 0.205 -0.580 -4.092 90 2HD1 ILE 10 2HD1 ILE 10 0.199 -2.261 -4.628 91 3HD1 ILE 10 3HD1 ILE 10 1.574 -1.629 -3.722 92 H ASN 11 H ASN 11 -4.165 -3.772 -3.140 93 HA ASN 11 HA ASN 11 -6.252 -1.915 -2.886 94 1HB ASN 11 2HB ASN 11 -6.240 -3.496 -4.712 95 2HB ASN 11 1HB ASN 11 -6.320 -4.857 -3.596 96 1HD2 ASN 11 1HD2 ASN 11 -8.377 -5.609 -4.458 97 2HD2 ASN 11 2HD2 ASN 11 -9.816 -4.751 -4.193 98 H GLU 12 H GLU 12 -6.344 -5.228 -1.560 99 HA GLU 12 HA GLU 12 -8.418 -4.714 0.270 100 1HB GLU 12 2HB GLU 12 -7.698 -6.974 -0.532 101 2HB GLU 12 1HB GLU 12 -6.276 -6.839 0.502 102 1HG GLU 12 2HG GLU 12 -7.696 -6.627 2.485 103 2HG GLU 12 1HG GLU 12 -9.144 -6.659 1.478 104 H LEU 13 H LEU 13 -4.918 -4.463 0.566 105 HA LEU 13 HA LEU 13 -4.696 -4.252 3.351 106 1HB LEU 13 2HB LEU 13 -2.844 -4.442 1.571 107 2HB LEU 13 1HB LEU 13 -2.980 -2.691 1.422 108 HG LEU 13 HG LEU 13 -2.549 -4.075 4.082 109 1HD1 LEU 13 1HD1 LEU 13 -0.539 -3.051 2.061 110 2HD1 LEU 13 2HD1 LEU 13 -0.625 -4.658 2.779 111 3HD1 LEU 13 3HD1 LEU 13 -0.145 -3.277 3.765 112 1HD2 LEU 13 1HD2 LEU 13 -1.474 -1.627 4.337 113 2HD2 LEU 13 2HD2 LEU 13 -3.188 -1.922 4.619 114 3HD2 LEU 13 3HD2 LEU 13 -2.650 -1.263 3.074 115 H ALA 14 H ALA 14 -4.567 -1.518 1.049 116 HA ALA 14 HA ALA 14 -4.871 0.521 2.925 117 1HB ALA 14 1HB ALA 14 -4.171 0.959 0.629 118 2HB ALA 14 2HB ALA 14 -5.599 1.921 1.014 119 3HB ALA 14 3HB ALA 14 -5.755 0.463 0.030 120 H ALA 15 H ALA 15 -7.332 -1.276 1.117 121 HA ALA 15 HA ALA 15 -9.572 0.219 1.943 122 1HB ALA 15 1HB ALA 15 -10.888 -1.708 1.253 123 2HB ALA 15 2HB ALA 15 -9.455 -2.735 1.289 124 3HB ALA 15 3HB ALA 15 -9.585 -1.444 0.094 125 H LYS 16 H LYS 16 -7.856 -2.477 3.426 126 HA LYS 16 HA LYS 16 -9.689 -3.075 5.474 127 1HB LYS 16 2HB LYS 16 -7.651 -4.442 4.818 128 2HB LYS 16 1HB LYS 16 -6.679 -3.275 5.713 129 1HG LYS 16 2HG LYS 16 -7.105 -4.935 7.321 130 2HG LYS 16 1HG LYS 16 -8.348 -3.731 7.663 131 1HD LYS 16 2HD LYS 16 -10.014 -4.992 6.467 132 2HD LYS 16 1HD LYS 16 -8.802 -6.105 5.835 133 1HE LYS 16 2HE LYS 16 -9.933 -7.194 7.682 134 2HE LYS 16 1HE LYS 16 -8.297 -6.791 8.203 135 1HZ LYS 16 1HZ LYS 16 -9.756 -4.568 8.803 136 2HZ LYS 16 2HZ LYS 16 -9.269 -5.767 9.904 137 3HZ LYS 16 3HZ LYS 16 -10.809 -5.840 9.191 138 H ALA 17 H ALA 17 -6.649 -1.247 5.764 139 HA ALA 17 HA ALA 17 -7.192 -0.123 8.288 140 1HB ALA 17 1HB ALA 17 -5.564 1.546 6.495 141 2HB ALA 17 2HB ALA 17 -5.042 -0.138 6.566 142 3HB ALA 17 3HB ALA 17 -5.147 0.817 8.045 143 H LYS 18 H LYS 18 -8.368 0.685 5.127 144 HA LYS 18 HA LYS 18 -8.951 3.424 5.545 145 1HB LYS 18 2HB LYS 18 -9.133 2.187 3.342 146 2HB LYS 18 1HB LYS 18 -10.641 1.493 3.936 147 1HG LYS 18 2HG LYS 18 -11.419 3.369 2.791 148 2HG LYS 18 1HG LYS 18 -11.272 4.001 4.431 149 1HD LYS 18 2HD LYS 18 -8.793 4.551 3.616 150 2HD LYS 18 1HD LYS 18 -9.565 4.531 2.030 151 1HE LYS 18 2HE LYS 18 -10.424 6.217 4.402 152 2HE LYS 18 1HE LYS 18 -9.599 6.804 2.958 153 1HZ LYS 18 1HZ LYS 18 -12.150 6.974 3.098 154 2HZ LYS 18 2HZ LYS 18 -12.133 5.318 2.719 155 3HZ LYS 18 3HZ LYS 18 -11.445 6.446 1.649 156 H ALA 19 H ALA 19 -11.297 0.742 5.618 157 HA ALA 19 HA ALA 19 -13.096 2.233 7.318 158 1HB ALA 19 1HB ALA 19 -13.320 -0.723 6.827 159 2HB ALA 19 2HB ALA 19 -13.660 0.413 5.522 160 3HB ALA 19 3HB ALA 19 -14.602 0.474 7.010 161 H GLY 20 H GLY 20 -10.316 0.431 7.814 162 1HA GLY 20 2HA GLY 20 -11.074 -0.482 10.507 163 2HA GLY 20 1HA GLY 20 -9.642 -0.981 9.613 164 H VAL 21 H VAL 21 -10.086 2.308 9.250 165 HA VAL 21 HA VAL 21 -9.165 4.190 10.192 166 HB VAL 21 HB VAL 21 -8.276 2.658 12.619 167 1HG1 VAL 21 1HG1 VAL 21 -8.915 4.796 13.705 168 2HG1 VAL 21 2HG1 VAL 21 -9.423 5.429 12.138 169 3HG1 VAL 21 3HG1 VAL 21 -7.726 5.043 12.428 170 1HG2 VAL 21 1HG2 VAL 21 -10.746 3.424 13.366 171 2HG2 VAL 21 2HG2 VAL 21 -10.427 1.829 12.683 172 3HG2 VAL 21 3HG2 VAL 21 -11.065 3.115 11.659 173 H ILE 22 H ILE 22 -7.520 4.477 8.793 174 HA ILE 22 HA ILE 22 -5.118 2.869 8.906 175 HB ILE 22 HB ILE 22 -6.087 3.742 6.770 176 1HG1 ILE 22 2HG1 ILE 22 -3.336 4.908 7.198 177 2HG1 ILE 22 1HG1 ILE 22 -3.595 3.164 7.235 178 1HG2 ILE 22 1HG2 ILE 22 -4.919 6.416 7.545 179 2HG2 ILE 22 2HG2 ILE 22 -6.607 6.029 7.881 180 3HG2 ILE 22 3HG2 ILE 22 -6.020 6.038 6.219 181 1HD1 ILE 22 1HD1 ILE 22 -4.463 4.946 4.940 182 2HD1 ILE 22 2HD1 ILE 22 -4.482 3.182 4.983 183 3HD1 ILE 22 3HD1 ILE 22 -2.946 4.047 4.968 184 H THR 23 H THR 23 -3.117 3.485 9.628 185 HA THR 23 HA THR 23 -3.008 5.996 11.196 186 HB THR 23 HB THR 23 -1.837 4.924 12.864 187 HG1 THR 23 HG1 THR 23 -0.922 3.309 10.762 188 1HG2 THR 23 1HG2 THR 23 -3.261 2.544 11.645 189 2HG2 THR 23 2HG2 THR 23 -4.086 3.826 12.530 190 3HG2 THR 23 3HG2 THR 23 -2.899 2.812 13.349 191 H GLU 24 H GLU 24 -0.876 7.005 11.363 192 HA GLU 24 HA GLU 24 0.309 7.543 8.908 193 1HB GLU 24 2HB GLU 24 1.420 7.795 11.712 194 2HB GLU 24 1HB GLU 24 2.253 8.409 10.283 195 1HG GLU 24 2HG GLU 24 1.016 10.262 11.115 196 2HG GLU 24 1HG GLU 24 0.082 9.667 9.746 197 H GLU 25 H GLU 25 1.023 5.037 11.258 198 HA GLU 25 HA GLU 25 3.517 4.171 10.304 199 1HB GLU 25 2HB GLU 25 1.386 2.349 11.433 200 2HB GLU 25 1HB GLU 25 3.136 2.165 11.532 201 1HG GLU 25 2HG GLU 25 2.920 4.580 12.690 202 2HG GLU 25 1HG GLU 25 1.325 3.949 13.094 203 H GLU 26 H GLU 26 0.230 3.107 9.412 204 HA GLU 26 HA GLU 26 1.040 1.156 7.528 205 1HB GLU 26 2HB GLU 26 -1.492 2.624 8.119 206 2HB GLU 26 1HB GLU 26 -1.363 1.791 6.571 207 1HG GLU 26 2HG GLU 26 -2.336 0.327 8.318 208 2HG GLU 26 1HG GLU 26 -0.805 -0.304 7.714 209 H LYS 27 H LYS 27 0.253 4.600 7.207 210 HA LYS 27 HA LYS 27 0.308 4.859 4.439 211 1HB LYS 27 2HB LYS 27 0.849 6.668 6.741 212 2HB LYS 27 1HB LYS 27 1.393 7.204 5.153 213 1HG LYS 27 2HG LYS 27 -1.386 6.109 5.446 214 2HG LYS 27 1HG LYS 27 -1.055 7.760 5.970 215 1HD LYS 27 2HD LYS 27 -0.426 8.453 3.804 216 2HD LYS 27 1HD LYS 27 -0.169 6.799 3.251 217 1HE LYS 27 2HE LYS 27 -2.490 6.360 3.114 218 2HE LYS 27 1HE LYS 27 -2.899 7.750 4.121 219 1HZ LYS 27 1HZ LYS 27 -1.420 8.532 1.819 220 2HZ LYS 27 2HZ LYS 27 -2.945 9.061 2.354 221 3HZ LYS 27 3HZ LYS 27 -2.815 7.676 1.377 222 H ALA 28 H ALA 28 2.996 4.921 6.754 223 HA ALA 28 HA ALA 28 5.058 5.513 4.927 224 1HB ALA 28 1HB ALA 28 5.248 5.580 7.432 225 2HB ALA 28 2HB ALA 28 6.575 4.735 6.634 226 3HB ALA 28 3HB ALA 28 5.291 3.817 7.423 227 H GLU 29 H GLU 29 3.782 2.405 6.094 228 HA GLU 29 HA GLU 29 5.555 0.701 4.765 229 1HB GLU 29 2HB GLU 29 4.094 -0.181 6.453 230 2HB GLU 29 1HB GLU 29 2.662 0.325 5.559 231 1HG GLU 29 2HG GLU 29 2.948 -1.329 3.914 232 2HG GLU 29 1HG GLU 29 4.652 -1.558 4.306 233 H GLN 30 H GLN 30 2.223 1.470 3.739 234 HA GLN 30 HA GLN 30 2.283 0.346 1.220 235 1HB GLN 30 2HB GLN 30 0.883 2.946 1.864 236 2HB GLN 30 1HB GLN 30 0.415 1.739 0.670 237 1HG GLN 30 2HG GLN 30 0.517 0.207 2.930 238 2HG GLN 30 1HG GLN 30 0.001 1.754 3.597 239 1HE2 GLN 30 1HE2 GLN 30 -2.219 2.107 3.532 240 2HE2 GLN 30 2HE2 GLN 30 -3.292 1.349 2.456 241 H GLN 31 H GLN 31 3.697 3.381 2.268 242 HA GLN 31 HA GLN 31 4.062 4.636 -0.213 243 1HB GLN 31 2HB GLN 31 4.538 5.509 2.191 244 2HB GLN 31 1HB GLN 31 6.130 4.787 1.968 245 1HG GLN 31 2HG GLN 31 6.445 6.978 1.192 246 2HG GLN 31 1HG GLN 31 6.149 6.077 -0.291 247 1HE2 GLN 31 1HE2 GLN 31 3.158 5.986 0.921 248 2HE2 GLN 31 2HE2 GLN 31 2.530 7.457 0.355 249 H LYS 32 H LYS 32 5.969 2.171 1.432 250 HA LYS 32 HA LYS 32 8.242 2.204 -0.209 251 1HB LYS 32 2HB LYS 32 8.136 0.991 1.924 252 2HB LYS 32 1HB LYS 32 6.976 -0.142 1.229 253 1HG LYS 32 2HG LYS 32 8.657 -0.800 -0.474 254 2HG LYS 32 1HG LYS 32 9.818 0.306 0.262 255 1HD LYS 32 2HD LYS 32 10.411 -1.655 1.336 256 2HD LYS 32 1HD LYS 32 9.193 -1.055 2.463 257 1HE LYS 32 2HE LYS 32 7.475 -2.417 1.257 258 2HE LYS 32 1HE LYS 32 8.761 -3.086 0.251 259 1HZ LYS 32 1HZ LYS 32 8.150 -4.467 2.209 260 2HZ LYS 32 2HZ LYS 32 8.742 -3.232 3.215 261 3HZ LYS 32 3HZ LYS 32 9.790 -4.039 2.150 262 H LEU 33 H LEU 33 5.535 -0.129 -0.354 263 HA LEU 33 HA LEU 33 6.233 -1.346 -2.760 264 1HB LEU 33 2HB LEU 33 3.508 -0.893 -1.523 265 2HB LEU 33 1HB LEU 33 3.794 -1.943 -2.911 266 HG LEU 33 HG LEU 33 5.486 -2.327 -0.467 267 1HD1 LEU 33 1HD1 LEU 33 3.342 -2.270 0.578 268 2HD1 LEU 33 2HD1 LEU 33 3.695 -3.979 0.316 269 3HD1 LEU 33 3HD1 LEU 33 2.584 -3.132 -0.762 270 1HD2 LEU 33 1HD2 LEU 33 5.836 -3.586 -2.615 271 2HD2 LEU 33 2HD2 LEU 33 4.224 -4.277 -2.424 272 3HD2 LEU 33 3HD2 LEU 33 5.483 -4.633 -1.240 273 H ARG 34 H ARG 34 4.242 1.528 -2.175 274 HA ARG 34 HA ARG 34 3.383 1.959 -4.821 275 1HB ARG 34 2HB ARG 34 2.385 3.115 -2.910 276 2HB ARG 34 1HB ARG 34 3.901 3.961 -2.609 277 1HG ARG 34 2HG ARG 34 3.685 5.310 -4.496 278 2HG ARG 34 1HG ARG 34 2.639 4.156 -5.327 279 1HD ARG 34 2HD ARG 34 0.741 4.832 -4.174 280 2HD ARG 34 1HD ARG 34 1.659 5.395 -2.780 281 HE ARG 34 HE ARG 34 1.001 6.921 -5.146 282 1HH1 ARG 34 1HH2 ARG 34 3.207 6.511 -2.501 283 2HH1 ARG 34 2HH2 ARG 34 3.729 8.162 -2.507 284 1HH2 ARG 34 1HH1 ARG 34 1.688 9.076 -5.156 285 2HH2 ARG 34 2HH1 ARG 34 2.873 9.611 -4.012 286 H GLN 35 H GLN 35 6.246 3.115 -3.070 287 HA GLN 35 HA GLN 35 7.278 4.784 -5.088 288 1HB GLN 35 2HB GLN 35 8.020 4.639 -2.657 289 2HB GLN 35 1HB GLN 35 8.937 3.204 -3.117 290 1HG GLN 35 2HG GLN 35 9.793 4.846 -5.053 291 2HG GLN 35 1HG GLN 35 9.389 6.066 -3.849 292 1HE2 GLN 35 1HE2 GLN 35 11.281 6.622 -2.768 293 2HE2 GLN 35 2HE2 GLN 35 12.451 5.517 -2.227 294 H GLU 36 H GLU 36 7.776 1.335 -4.414 295 HA GLU 36 HA GLU 36 9.735 0.890 -6.410 296 1HB GLU 36 2HB GLU 36 9.425 -0.717 -4.630 297 2HB GLU 36 1HB GLU 36 7.752 -0.990 -5.109 298 1HG GLU 36 2HG GLU 36 9.355 -2.769 -5.906 299 2HG GLU 36 1HG GLU 36 8.434 -1.998 -7.195 300 H TYR 37 H TYR 37 6.193 0.573 -6.427 301 HA TYR 37 HA TYR 37 5.813 -0.544 -8.930 302 1HB TYR 37 2HB TYR 37 3.988 -0.104 -7.322 303 2HB TYR 37 1HB TYR 37 4.131 1.623 -7.643 304 HD1 TYR 37 HD1 TYR 37 3.712 -1.627 -9.472 305 HD2 TYR 37 HD2 TYR 37 2.804 2.570 -9.324 306 HE1 TYR 37 HE1 TYR 37 2.252 -1.873 -11.462 307 HE2 TYR 37 HE2 TYR 37 1.343 2.322 -11.313 308 HH TYR 37 HH TYR 37 0.937 0.889 -13.127 309 H LEU 38 H LEU 38 6.098 2.911 -8.111 310 HA LEU 38 HA LEU 38 5.889 3.922 -10.729 311 1HB LEU 38 2HB LEU 38 6.752 4.915 -8.100 312 2HB LEU 38 1HB LEU 38 7.563 5.699 -9.455 313 HG LEU 38 HG LEU 38 5.433 6.841 -8.778 314 1HD1 LEU 38 1HD1 LEU 38 4.878 7.380 -10.959 315 2HD1 LEU 38 2HD1 LEU 38 4.920 5.701 -11.499 316 3HD1 LEU 38 3HD1 LEU 38 6.425 6.580 -11.238 317 1HD2 LEU 38 1HD2 LEU 38 3.855 4.653 -10.053 318 2HD2 LEU 38 2HD2 LEU 38 3.394 5.772 -8.769 319 3HD2 LEU 38 3HD2 LEU 38 4.413 4.382 -8.403 320 H LYS 39 H LYS 39 8.713 2.894 -8.834 321 HA LYS 39 HA LYS 39 10.667 3.606 -10.763 322 1HB LYS 39 2HB LYS 39 10.602 1.798 -8.372 323 2HB LYS 39 1HB LYS 39 11.980 1.726 -9.473 324 1HG LYS 39 2HG LYS 39 12.418 4.091 -9.178 325 2HG LYS 39 1HG LYS 39 10.943 4.289 -8.231 326 1HD LYS 39 2HD LYS 39 11.816 3.146 -6.383 327 2HD LYS 39 1HD LYS 39 13.041 2.323 -7.346 328 1HE LYS 39 2HE LYS 39 13.700 4.373 -5.800 329 2HE LYS 39 1HE LYS 39 14.453 4.166 -7.381 330 1HZ LYS 39 1HZ LYS 39 13.495 6.443 -6.797 331 2HZ LYS 39 2HZ LYS 39 11.972 5.740 -7.066 332 3HZ LYS 39 3HZ LYS 39 13.118 5.799 -8.320 333 H GLY 40 H GLY 40 8.376 1.069 -10.611 334 1HA GLY 40 2HA GLY 40 9.835 -0.624 -12.522 335 2HA GLY 40 1HA GLY 40 8.350 -1.052 -11.675 336 H PHE 41 H PHE 41 7.385 1.782 -12.377 337 HA PHE 41 HA PHE 41 5.833 1.082 -14.636 338 1HB PHE 41 2HB PHE 41 5.539 2.940 -12.742 339 2HB PHE 41 1HB PHE 41 6.277 3.958 -13.977 340 HD1 PHE 41 HD1 PHE 41 5.279 3.583 -16.442 341 HD2 PHE 41 HD2 PHE 41 3.229 2.684 -12.776 342 HE1 PHE 41 HE1 PHE 41 3.105 3.709 -17.627 343 HE2 PHE 41 HE2 PHE 41 1.056 2.810 -13.960 344 HZ PHE 41 HZ PHE 41 0.992 3.322 -16.385 345 H ARG 42 H ARG 42 6.976 0.547 -16.435 346 HA ARG 42 HA ARG 42 9.215 2.078 -17.387 347 1HB ARG 42 2HB ARG 42 7.582 -0.189 -18.528 348 2HB ARG 42 1HB ARG 42 8.843 0.612 -19.467 349 1HG ARG 42 2HG ARG 42 10.509 0.067 -17.757 350 2HG ARG 42 1HG ARG 42 9.261 -0.661 -16.743 351 1HD ARG 42 2HD ARG 42 8.857 -2.400 -18.368 352 2HD ARG 42 1HD ARG 42 9.894 -1.608 -19.552 353 HE ARG 42 HE ARG 42 11.366 -2.174 -17.183 354 1HH1 ARG 42 1HH2 ARG 42 9.917 -3.673 -19.958 355 2HH1 ARG 42 2HH2 ARG 42 11.034 -4.997 -19.991 356 1HH2 ARG 42 1HH1 ARG 42 12.824 -3.906 -17.231 357 2HH2 ARG 42 2HH1 ARG 42 12.679 -5.126 -18.450 Start of MODEL 10 1 1H MET 1 1HT MET 1 4.756 -3.517 -14.035 2 2H MET 1 2HT MET 1 4.141 -4.540 -12.826 3 3H MET 1 3HT MET 1 3.233 -3.206 -13.355 4 HA MET 1 HA MET 1 2.264 -4.424 -14.903 5 1HB MET 1 2HB MET 1 3.671 -5.448 -16.705 6 2HB MET 1 1HB MET 1 4.090 -3.767 -16.382 7 1HG MET 1 2HG MET 1 6.218 -4.514 -16.177 8 2HG MET 1 1HG MET 1 5.708 -5.132 -14.606 9 1HE MET 1 1HE MET 1 7.946 -6.254 -17.148 10 2HE MET 1 2HE MET 1 8.020 -7.814 -16.328 11 3HE MET 1 3HE MET 1 7.982 -6.328 -15.382 12 H ILE 2 H ILE 2 2.638 -5.576 -12.356 13 HA ILE 2 HA ILE 2 3.148 -8.429 -12.907 14 HB ILE 2 HB ILE 2 2.563 -7.409 -10.155 15 1HG1 ILE 2 2HG1 ILE 2 5.175 -6.985 -11.651 16 2HG1 ILE 2 1HG1 ILE 2 4.130 -5.731 -10.988 17 1HG2 ILE 2 1HG2 ILE 2 3.034 -9.848 -10.863 18 2HG2 ILE 2 2HG2 ILE 2 3.944 -9.216 -9.493 19 3HG2 ILE 2 3HG2 ILE 2 4.706 -9.328 -11.080 20 1HD1 ILE 2 1HD1 ILE 2 5.835 -5.977 -9.363 21 2HD1 ILE 2 2HD1 ILE 2 5.818 -7.736 -9.493 22 3HD1 ILE 2 3HD1 ILE 2 4.479 -6.898 -8.711 23 H SER 3 H SER 3 0.789 -6.358 -11.210 24 HA SER 3 HA SER 3 -1.404 -6.765 -10.594 25 1HB SER 3 2HB SER 3 -1.329 -7.554 -13.508 26 2HB SER 3 1HB SER 3 -2.820 -7.348 -12.599 27 HG SER 3 HG SER 3 -2.176 -5.202 -12.180 28 H ASN 4 H ASN 4 -0.856 -8.503 -9.106 29 HA ASN 4 HA ASN 4 -2.266 -10.948 -9.782 30 1HB ASN 4 2HB ASN 4 -0.393 -12.433 -9.169 31 2HB ASN 4 1HB ASN 4 -0.006 -11.462 -10.586 32 1HD2 ASN 4 1HD2 ASN 4 2.212 -12.388 -9.365 33 2HD2 ASN 4 2HD2 ASN 4 2.963 -11.196 -8.418 34 H ALA 5 H ALA 5 -0.746 -12.221 -7.461 35 HA ALA 5 HA ALA 5 -2.571 -11.479 -5.410 36 1HB ALA 5 1HB ALA 5 -1.161 -12.960 -3.979 37 2HB ALA 5 2HB ALA 5 -0.024 -13.111 -5.319 38 3HB ALA 5 3HB ALA 5 -1.669 -13.725 -5.484 39 H LYS 6 H LYS 6 0.652 -10.444 -6.271 40 HA LYS 6 HA LYS 6 1.366 -9.249 -3.796 41 1HB LYS 6 2HB LYS 6 2.516 -9.517 -6.390 42 2HB LYS 6 1HB LYS 6 2.524 -7.802 -5.984 43 1HG LYS 6 2HG LYS 6 3.468 -9.911 -4.034 44 2HG LYS 6 1HG LYS 6 4.552 -9.174 -5.213 45 1HD LYS 6 2HD LYS 6 4.431 -7.071 -4.219 46 2HD LYS 6 1HD LYS 6 2.861 -7.395 -3.484 47 1HE LYS 6 2HE LYS 6 4.895 -7.368 -1.908 48 2HE LYS 6 1HE LYS 6 3.814 -8.756 -1.788 49 1HZ LYS 6 1HZ LYS 6 6.092 -9.488 -1.853 50 2HZ LYS 6 2HZ LYS 6 6.369 -8.641 -3.297 51 3HZ LYS 6 3HZ LYS 6 5.311 -9.969 -3.279 52 H ILE 7 H ILE 7 0.199 -7.741 -6.830 53 HA ILE 7 HA ILE 7 -0.194 -5.172 -5.772 54 HB ILE 7 HB ILE 7 -1.379 -6.651 -8.111 55 1HG1 ILE 7 2HG1 ILE 7 -0.159 -4.902 -9.357 56 2HG1 ILE 7 1HG1 ILE 7 0.325 -4.150 -7.837 57 1HG2 ILE 7 1HG2 ILE 7 -2.324 -4.280 -8.681 58 2HG2 ILE 7 2HG2 ILE 7 -2.237 -4.008 -6.941 59 3HG2 ILE 7 3HG2 ILE 7 -3.238 -5.312 -7.581 60 1HD1 ILE 7 1HD1 ILE 7 2.050 -5.692 -8.920 61 2HD1 ILE 7 2HD1 ILE 7 0.980 -7.028 -8.500 62 3HD1 ILE 7 3HD1 ILE 7 1.678 -6.022 -7.230 63 H ALA 8 H ALA 8 -2.377 -7.963 -5.960 64 HA ALA 8 HA ALA 8 -4.725 -6.781 -5.015 65 1HB ALA 8 1HB ALA 8 -5.215 -9.124 -4.110 66 2HB ALA 8 2HB ALA 8 -3.623 -9.579 -4.717 67 3HB ALA 8 3HB ALA 8 -4.863 -9.011 -5.835 68 H ARG 9 H ARG 9 -1.842 -7.827 -3.313 69 HA ARG 9 HA ARG 9 -2.903 -7.709 -0.674 70 1HB ARG 9 2HB ARG 9 -0.712 -8.789 -1.473 71 2HB ARG 9 1HB ARG 9 -0.034 -7.162 -1.417 72 1HG ARG 9 2HG ARG 9 -0.596 -6.961 0.949 73 2HG ARG 9 1HG ARG 9 -1.398 -8.532 0.921 74 1HD ARG 9 2HD ARG 9 1.525 -8.137 0.233 75 2HD ARG 9 1HD ARG 9 0.955 -8.568 1.843 76 HE ARG 9 HE ARG 9 0.034 -10.321 -0.288 77 1HH1 ARG 9 1HH2 ARG 9 2.437 -9.638 2.121 78 2HH1 ARG 9 2HH2 ARG 9 2.996 -11.273 2.219 79 1HH2 ARG 9 1HH1 ARG 9 0.772 -12.464 -0.162 80 2HH2 ARG 9 2HH1 ARG 9 2.054 -12.873 0.928 81 H ILE 10 H ILE 10 -0.780 -5.440 -2.429 82 HA ILE 10 HA ILE 10 -0.759 -3.359 -0.595 83 HB ILE 10 HB ILE 10 -0.552 -3.295 -3.609 84 1HG1 ILE 10 2HG1 ILE 10 1.715 -2.831 -1.717 85 2HG1 ILE 10 1HG1 ILE 10 1.119 -4.482 -1.882 86 1HG2 ILE 10 1HG2 ILE 10 -0.252 -1.132 -1.528 87 2HG2 ILE 10 2HG2 ILE 10 -1.065 -1.058 -3.091 88 3HG2 ILE 10 3HG2 ILE 10 0.696 -1.078 -3.015 89 1HD1 ILE 10 1HD1 ILE 10 1.857 -2.750 -4.253 90 2HD1 ILE 10 2HD1 ILE 10 1.524 -4.481 -4.252 91 3HD1 ILE 10 3HD1 ILE 10 2.985 -3.864 -3.482 92 H ASN 11 H ASN 11 -2.805 -3.404 -3.550 93 HA ASN 11 HA ASN 11 -4.278 -1.124 -2.937 94 1HB ASN 11 2HB ASN 11 -5.889 -1.865 -4.576 95 2HB ASN 11 1HB ASN 11 -4.277 -2.277 -5.144 96 1HD2 ASN 11 1HD2 ASN 11 -6.982 -3.580 -5.709 97 2HD2 ASN 11 2HD2 ASN 11 -6.749 -5.214 -5.312 98 H GLU 12 H GLU 12 -4.884 -4.486 -1.995 99 HA GLU 12 HA GLU 12 -7.428 -4.092 -0.828 100 1HB GLU 12 2HB GLU 12 -6.608 -6.332 -1.285 101 2HB GLU 12 1HB GLU 12 -5.255 -6.103 -0.179 102 1HG GLU 12 2HG GLU 12 -6.718 -6.003 1.725 103 2HG GLU 12 1HG GLU 12 -8.147 -5.910 0.698 104 H LEU 13 H LEU 13 -4.168 -4.098 0.612 105 HA LEU 13 HA LEU 13 -4.945 -3.457 3.246 106 1HB LEU 13 2HB LEU 13 -2.597 -4.130 2.096 107 2HB LEU 13 1HB LEU 13 -2.356 -2.392 2.246 108 HG LEU 13 HG LEU 13 -3.122 -4.277 4.500 109 1HD1 LEU 13 1HD1 LEU 13 -0.555 -2.829 3.803 110 2HD1 LEU 13 2HD1 LEU 13 -0.799 -4.573 3.900 111 3HD1 LEU 13 3HD1 LEU 13 -0.851 -3.592 5.364 112 1HD2 LEU 13 1HD2 LEU 13 -2.405 -2.046 5.770 113 2HD2 LEU 13 2HD2 LEU 13 -4.060 -2.271 5.207 114 3HD2 LEU 13 3HD2 LEU 13 -2.934 -1.292 4.267 115 H ALA 14 H ALA 14 -3.957 -1.405 0.516 116 HA ALA 14 HA ALA 14 -3.991 1.079 1.783 117 1HB ALA 14 1HB ALA 14 -3.145 0.789 -0.490 118 2HB ALA 14 2HB ALA 14 -4.413 2.014 -0.476 119 3HB ALA 14 3HB ALA 14 -4.764 0.389 -1.064 120 H ALA 15 H ALA 15 -6.633 -0.657 0.154 121 HA ALA 15 HA ALA 15 -8.637 1.285 0.549 122 1HB ALA 15 1HB ALA 15 -8.640 -0.863 -0.923 123 2HB ALA 15 2HB ALA 15 -10.151 -0.341 -0.178 124 3HB ALA 15 3HB ALA 15 -9.227 -1.661 0.538 125 H LYS 16 H LYS 16 -7.477 -1.365 2.551 126 HA LYS 16 HA LYS 16 -9.492 -1.311 4.527 127 1HB LYS 16 2HB LYS 16 -6.651 -2.282 4.451 128 2HB LYS 16 1HB LYS 16 -7.528 -2.250 5.980 129 1HG LYS 16 2HG LYS 16 -9.340 -3.597 4.949 130 2HG LYS 16 1HG LYS 16 -8.418 -3.662 3.447 131 1HD LYS 16 2HD LYS 16 -6.700 -4.973 4.416 132 2HD LYS 16 1HD LYS 16 -7.216 -4.590 6.059 133 1HE LYS 16 2HE LYS 16 -9.069 -6.031 5.950 134 2HE LYS 16 1HE LYS 16 -9.076 -6.040 4.185 135 1HZ LYS 16 1HZ LYS 16 -7.233 -7.435 4.107 136 2HZ LYS 16 2HZ LYS 16 -8.165 -8.080 5.374 137 3HZ LYS 16 3HZ LYS 16 -6.798 -7.129 5.718 138 H ALA 17 H ALA 17 -6.171 -0.027 4.720 139 HA ALA 17 HA ALA 17 -6.583 1.497 7.046 140 1HB ALA 17 1HB ALA 17 -4.346 0.923 6.270 141 2HB ALA 17 2HB ALA 17 -4.505 2.676 6.383 142 3HB ALA 17 3HB ALA 17 -4.581 1.883 4.808 143 H LYS 18 H LYS 18 -7.592 2.021 3.797 144 HA LYS 18 HA LYS 18 -7.697 4.893 3.909 145 1HB LYS 18 2HB LYS 18 -7.678 3.680 1.756 146 2HB LYS 18 1HB LYS 18 -9.250 2.985 2.138 147 1HG LYS 18 2HG LYS 18 -10.301 5.155 2.129 148 2HG LYS 18 1HG LYS 18 -8.738 5.968 2.014 149 1HD LYS 18 2HD LYS 18 -9.319 3.969 -0.106 150 2HD LYS 18 1HD LYS 18 -10.293 5.438 -0.144 151 1HE LYS 18 2HE LYS 18 -8.278 5.761 -1.490 152 2HE LYS 18 1HE LYS 18 -8.202 6.793 -0.063 153 1HZ LYS 18 1HZ LYS 18 -7.049 4.099 0.076 154 2HZ LYS 18 2HZ LYS 18 -6.589 5.516 0.893 155 3HZ LYS 18 3HZ LYS 18 -6.187 5.308 -0.744 156 H ALA 19 H ALA 19 -10.392 2.570 3.725 157 HA ALA 19 HA ALA 19 -12.206 4.432 4.985 158 1HB ALA 19 1HB ALA 19 -12.533 1.527 4.195 159 2HB ALA 19 2HB ALA 19 -13.032 2.933 3.256 160 3HB ALA 19 3HB ALA 19 -13.834 2.563 4.782 161 H GLY 20 H GLY 20 -9.860 2.378 6.154 162 1HA GLY 20 2HA GLY 20 -11.299 1.749 8.646 163 2HA GLY 20 1HA GLY 20 -9.780 1.030 8.125 164 H VAL 21 H VAL 21 -8.656 3.650 7.348 165 HA VAL 21 HA VAL 21 -7.192 5.149 8.304 166 HB VAL 21 HB VAL 21 -9.518 5.603 10.194 167 1HG1 VAL 21 1HG1 VAL 21 -7.523 6.746 10.953 168 2HG1 VAL 21 2HG1 VAL 21 -8.568 7.944 10.191 169 3HG1 VAL 21 3HG1 VAL 21 -7.168 7.314 9.321 170 1HG2 VAL 21 1HG2 VAL 21 -8.917 6.719 7.437 171 2HG2 VAL 21 2HG2 VAL 21 -10.153 7.362 8.517 172 3HG2 VAL 21 3HG2 VAL 21 -10.297 5.720 7.890 173 H ILE 22 H ILE 22 -5.886 3.290 8.996 174 HA ILE 22 HA ILE 22 -6.064 2.540 11.803 175 HB ILE 22 HB ILE 22 -4.135 1.039 11.223 176 1HG1 ILE 22 2HG1 ILE 22 -4.670 2.076 8.417 177 2HG1 ILE 22 1HG1 ILE 22 -3.242 2.467 9.372 178 1HG2 ILE 22 1HG2 ILE 22 -6.481 0.282 11.085 179 2HG2 ILE 22 2HG2 ILE 22 -5.494 -0.471 9.833 180 3HG2 ILE 22 3HG2 ILE 22 -6.570 0.865 9.422 181 1HD1 ILE 22 1HD1 ILE 22 -2.795 -0.024 9.539 182 2HD1 ILE 22 2HD1 ILE 22 -2.630 0.652 7.919 183 3HD1 ILE 22 3HD1 ILE 22 -4.077 -0.259 8.351 184 H THR 23 H THR 23 -2.900 2.280 11.342 185 HA THR 23 HA THR 23 -2.337 4.918 12.544 186 HB THR 23 HB THR 23 -0.702 2.375 12.721 187 HG1 THR 23 HG1 THR 23 -2.108 3.453 14.867 188 1HG2 THR 23 1HG2 THR 23 -0.527 5.116 13.974 189 2HG2 THR 23 2HG2 THR 23 0.736 4.199 13.157 190 3HG2 THR 23 3HG2 THR 23 0.189 3.707 14.758 191 H GLU 24 H GLU 24 -0.744 6.206 11.742 192 HA GLU 24 HA GLU 24 -0.123 6.189 9.039 193 1HB GLU 24 2HB GLU 24 1.164 7.516 11.414 194 2HB GLU 24 1HB GLU 24 1.819 7.728 9.789 195 1HG GLU 24 2HG GLU 24 0.196 9.520 10.391 196 2HG GLU 24 1HG GLU 24 -0.329 8.584 8.993 197 H GLU 25 H GLU 25 1.463 4.538 11.670 198 HA GLU 25 HA GLU 25 3.977 4.039 10.557 199 1HB GLU 25 2HB GLU 25 3.291 3.507 12.904 200 2HB GLU 25 1HB GLU 25 2.348 2.153 12.282 201 1HG GLU 25 2HG GLU 25 4.589 1.436 13.078 202 2HG GLU 25 1HG GLU 25 4.372 1.128 11.358 203 H GLU 26 H GLU 26 0.995 2.096 10.366 204 HA GLU 26 HA GLU 26 2.045 0.105 8.642 205 1HB GLU 26 2HB GLU 26 -0.747 1.009 9.329 206 2HB GLU 26 1HB GLU 26 -0.463 -0.246 8.123 207 1HG GLU 26 2HG GLU 26 0.958 -0.511 10.735 208 2HG GLU 26 1HG GLU 26 -0.776 -0.829 10.718 209 H LYS 27 H LYS 27 0.100 3.018 8.021 210 HA LYS 27 HA LYS 27 -0.196 2.786 5.265 211 1HB LYS 27 2HB LYS 27 0.154 5.301 6.919 212 2HB LYS 27 1HB LYS 27 -0.503 5.231 5.287 213 1HG LYS 27 2HG LYS 27 -2.283 3.679 6.127 214 2HG LYS 27 1HG LYS 27 -1.674 3.940 7.762 215 1HD LYS 27 2HD LYS 27 -2.021 6.416 7.406 216 2HD LYS 27 1HD LYS 27 -2.833 6.023 5.891 217 1HE LYS 27 2HE LYS 27 -4.594 4.888 6.999 218 2HE LYS 27 1HE LYS 27 -3.684 4.771 8.504 219 1HZ LYS 27 1HZ LYS 27 -4.019 7.471 7.609 220 2HZ LYS 27 2HZ LYS 27 -4.340 6.786 9.128 221 3HZ LYS 27 3HZ LYS 27 -5.501 6.694 7.889 222 H ALA 28 H ALA 28 2.453 4.208 7.156 223 HA ALA 28 HA ALA 28 3.952 5.244 5.015 224 1HB ALA 28 1HB ALA 28 4.928 4.150 7.668 225 2HB ALA 28 2HB ALA 28 4.412 5.807 7.362 226 3HB ALA 28 3HB ALA 28 5.860 5.177 6.578 227 H GLU 29 H GLU 29 3.896 2.048 6.507 228 HA GLU 29 HA GLU 29 6.088 0.905 5.173 229 1HB GLU 29 2HB GLU 29 4.909 -0.117 7.113 230 2HB GLU 29 1HB GLU 29 3.542 -0.482 6.063 231 1HG GLU 29 2HG GLU 29 4.958 -1.894 4.653 232 2HG GLU 29 1HG GLU 29 6.374 -1.473 5.610 233 H GLN 30 H GLN 30 2.675 0.187 4.440 234 HA GLN 30 HA GLN 30 3.060 -0.928 1.930 235 1HB GLN 30 2HB GLN 30 0.672 -0.367 1.507 236 2HB GLN 30 1HB GLN 30 0.936 -1.114 3.082 237 1HG GLN 30 2HG GLN 30 0.870 1.067 4.176 238 2HG GLN 30 1HG GLN 30 0.737 1.877 2.618 239 1HE2 GLN 30 1HE2 GLN 30 -1.073 -0.835 2.164 240 2HE2 GLN 30 2HE2 GLN 30 -2.587 -0.266 2.672 241 H GLN 31 H GLN 31 2.882 2.464 2.836 242 HA GLN 31 HA GLN 31 2.371 3.622 0.347 243 1HB GLN 31 2HB GLN 31 2.345 4.988 2.325 244 2HB GLN 31 1HB GLN 31 4.038 4.627 2.660 245 1HG GLN 31 2HG GLN 31 4.785 5.877 0.773 246 2HG GLN 31 1HG GLN 31 3.157 5.972 0.099 247 1HE2 GLN 31 1HE2 GLN 31 5.386 7.879 1.607 248 2HE2 GLN 31 2HE2 GLN 31 4.350 8.943 2.431 249 H LYS 32 H LYS 32 5.415 2.437 1.714 250 HA LYS 32 HA LYS 32 7.182 3.496 -0.194 251 1HB LYS 32 2HB LYS 32 7.251 1.035 1.539 252 2HB LYS 32 1HB LYS 32 8.539 1.356 0.377 253 1HG LYS 32 2HG LYS 32 9.125 3.405 1.434 254 2HG LYS 32 1HG LYS 32 7.636 3.433 2.379 255 1HD LYS 32 2HD LYS 32 9.500 2.743 3.806 256 2HD LYS 32 1HD LYS 32 8.391 1.389 3.582 257 1HE LYS 32 2HE LYS 32 9.840 0.299 2.068 258 2HE LYS 32 1HE LYS 32 10.770 1.765 1.765 259 1HZ LYS 32 1HZ LYS 32 10.775 0.055 4.176 260 2HZ LYS 32 2HZ LYS 32 11.362 1.649 4.212 261 3HZ LYS 32 3HZ LYS 32 12.083 0.496 3.193 262 H LEU 33 H LEU 33 5.745 0.237 -0.091 263 HA LEU 33 HA LEU 33 6.614 -0.619 -2.608 264 1HB LEU 33 2HB LEU 33 4.010 -1.445 -1.315 265 2HB LEU 33 1HB LEU 33 5.027 -2.390 -2.403 266 HG LEU 33 HG LEU 33 5.694 -1.531 0.431 267 1HD1 LEU 33 1HD1 LEU 33 5.985 -4.081 0.619 268 2HD1 LEU 33 2HD1 LEU 33 5.139 -4.176 -0.926 269 3HD1 LEU 33 3HD1 LEU 33 4.332 -3.480 0.481 270 1HD2 LEU 33 1HD2 LEU 33 7.400 -2.734 -1.759 271 2HD2 LEU 33 2HD2 LEU 33 7.798 -2.952 -0.056 272 3HD2 LEU 33 3HD2 LEU 33 7.752 -1.332 -0.749 273 H ARG 34 H ARG 34 3.827 1.321 -1.676 274 HA ARG 34 HA ARG 34 2.440 1.165 -4.151 275 1HB ARG 34 2HB ARG 34 1.455 1.962 -1.986 276 2HB ARG 34 1HB ARG 34 2.388 3.448 -2.168 277 1HG ARG 34 2HG ARG 34 1.278 3.889 -4.329 278 2HG ARG 34 1HG ARG 34 0.347 2.402 -4.157 279 1HD ARG 34 2HD ARG 34 -1.147 4.004 -3.342 280 2HD ARG 34 1HD ARG 34 -0.388 3.423 -1.863 281 HE ARG 34 HE ARG 34 1.108 5.607 -2.820 282 1HH1 ARG 34 1HH2 ARG 34 -2.017 4.855 -1.524 283 2HH1 ARG 34 2HH2 ARG 34 -2.257 6.421 -0.826 284 1HH2 ARG 34 1HH1 ARG 34 0.800 7.662 -1.903 285 2HH2 ARG 34 2HH1 ARG 34 -0.663 8.012 -1.042 286 H GLN 35 H GLN 35 4.647 3.619 -2.811 287 HA GLN 35 HA GLN 35 4.690 5.325 -5.055 288 1HB GLN 35 2HB GLN 35 6.689 4.832 -2.840 289 2HB GLN 35 1HB GLN 35 6.875 6.101 -4.047 290 1HG GLN 35 2HG GLN 35 4.706 7.065 -3.385 291 2HG GLN 35 1HG GLN 35 4.509 5.795 -2.179 292 1HE2 GLN 35 1HE2 GLN 35 6.614 5.654 -0.647 293 2HE2 GLN 35 2HE2 GLN 35 7.177 7.156 -0.089 294 H GLU 36 H GLU 36 6.504 2.435 -4.230 295 HA GLU 36 HA GLU 36 8.518 2.647 -6.217 296 1HB GLU 36 2HB GLU 36 8.685 1.150 -4.261 297 2HB GLU 36 1HB GLU 36 7.367 0.172 -4.901 298 1HG GLU 36 2HG GLU 36 9.845 0.710 -6.536 299 2HG GLU 36 1HG GLU 36 9.794 -0.609 -5.371 300 H TYR 37 H TYR 37 5.402 0.923 -6.142 301 HA TYR 37 HA TYR 37 5.478 -0.380 -8.569 302 1HB TYR 37 2HB TYR 37 3.648 -0.551 -6.889 303 2HB TYR 37 1HB TYR 37 3.060 1.027 -7.413 304 HD1 TYR 37 HD1 TYR 37 1.615 1.206 -9.274 305 HD2 TYR 37 HD2 TYR 37 3.892 -2.395 -8.694 306 HE1 TYR 37 HE1 TYR 37 0.386 0.123 -11.135 307 HE2 TYR 37 HE2 TYR 37 2.659 -3.473 -10.554 308 HH TYR 37 HH TYR 37 1.408 -2.748 -12.583 309 H LEU 38 H LEU 38 4.830 3.033 -7.951 310 HA LEU 38 HA LEU 38 3.862 3.769 -10.484 311 1HB LEU 38 2HB LEU 38 5.608 5.501 -8.721 312 2HB LEU 38 1HB LEU 38 4.399 6.029 -9.891 313 HG LEU 38 HG LEU 38 3.791 4.407 -7.398 314 1HD1 LEU 38 1HD1 LEU 38 4.550 6.732 -6.917 315 2HD1 LEU 38 2HD1 LEU 38 2.854 6.479 -6.504 316 3HD1 LEU 38 3HD1 LEU 38 3.283 7.340 -7.982 317 1HD2 LEU 38 1HD2 LEU 38 2.151 5.502 -9.672 318 2HD2 LEU 38 2HD2 LEU 38 1.428 5.370 -8.069 319 3HD2 LEU 38 3HD2 LEU 38 2.042 3.929 -8.880 320 H LYS 39 H LYS 39 7.217 3.904 -9.239 321 HA LYS 39 HA LYS 39 8.388 4.748 -11.668 322 1HB LYS 39 2HB LYS 39 9.608 4.900 -9.564 323 2HB LYS 39 1HB LYS 39 9.570 3.146 -9.382 324 1HG LYS 39 2HG LYS 39 11.098 2.797 -11.123 325 2HG LYS 39 1HG LYS 39 10.762 4.362 -11.862 326 1HD LYS 39 2HD LYS 39 11.913 5.523 -10.064 327 2HD LYS 39 1HD LYS 39 12.132 4.015 -9.178 328 1HE LYS 39 2HE LYS 39 13.216 4.380 -11.972 329 2HE LYS 39 1HE LYS 39 14.137 4.873 -10.552 330 1HZ LYS 39 1HZ LYS 39 13.272 2.170 -11.345 331 2HZ LYS 39 2HZ LYS 39 13.629 2.519 -9.722 332 3HZ LYS 39 3HZ LYS 39 14.821 2.710 -10.920 333 H GLY 40 H GLY 40 7.352 1.636 -10.495 334 1HA GLY 40 2HA GLY 40 8.727 0.137 -12.571 335 2HA GLY 40 1HA GLY 40 7.644 -0.513 -11.348 336 H PHE 41 H PHE 41 6.181 2.158 -12.735 337 HA PHE 41 HA PHE 41 5.171 1.070 -15.164 338 1HB PHE 41 2HB PHE 41 4.092 -0.408 -13.333 339 2HB PHE 41 1HB PHE 41 3.138 1.017 -12.939 340 HD1 PHE 41 HD1 PHE 41 4.199 -0.970 -15.953 341 HD2 PHE 41 HD2 PHE 41 1.124 1.342 -14.039 342 HE1 PHE 41 HE1 PHE 41 2.660 -1.457 -17.836 343 HE2 PHE 41 HE2 PHE 41 -0.415 0.852 -15.921 344 HZ PHE 41 HZ PHE 41 0.353 -0.549 -17.819 345 H ARG 42 H ARG 42 5.384 3.086 -16.016 346 HA ARG 42 HA ARG 42 4.838 5.232 -16.584 347 1HB ARG 42 2HB ARG 42 2.566 4.344 -16.745 348 2HB ARG 42 1HB ARG 42 2.316 4.617 -15.022 349 1HG ARG 42 2HG ARG 42 2.338 6.962 -15.263 350 2HG ARG 42 1HG ARG 42 3.140 6.885 -16.832 351 1HD ARG 42 2HD ARG 42 0.323 5.913 -16.278 352 2HD ARG 42 1HD ARG 42 0.725 7.455 -17.028 353 HE ARG 42 HE ARG 42 1.889 5.177 -18.379 354 1HH1 ARG 42 1HH2 ARG 42 -0.892 7.223 -18.024 355 2HH1 ARG 42 2HH2 ARG 42 -1.508 6.887 -19.608 356 1HH2 ARG 42 1HH1 ARG 42 1.080 4.735 -20.447 357 2HH2 ARG 42 2HH1 ARG 42 -0.393 5.477 -20.977 Start of MODEL 11 1 1H MET 1 1HT MET 1 6.263 -6.949 -15.949 2 2H MET 1 2HT MET 1 5.045 -8.098 -15.659 3 3H MET 1 3HT MET 1 6.011 -7.536 -14.377 4 HA MET 1 HA MET 1 5.083 -5.225 -15.050 5 1HB MET 1 2HB MET 1 2.929 -7.127 -16.029 6 2HB MET 1 1HB MET 1 2.807 -5.369 -15.950 7 1HG MET 1 2HG MET 1 3.419 -5.656 -18.175 8 2HG MET 1 1HG MET 1 5.003 -5.465 -17.425 9 1HE MET 1 1HE MET 1 5.558 -6.616 -19.948 10 2HE MET 1 2HE MET 1 6.423 -8.102 -19.570 11 3HE MET 1 3HE MET 1 6.677 -6.667 -18.579 12 H ILE 2 H ILE 2 4.762 -8.175 -13.469 13 HA ILE 2 HA ILE 2 3.910 -8.834 -11.448 14 HB ILE 2 HB ILE 2 4.108 -5.853 -10.944 15 1HG1 ILE 2 2HG1 ILE 2 5.910 -8.142 -10.092 16 2HG1 ILE 2 1HG1 ILE 2 6.215 -7.130 -11.504 17 1HG2 ILE 2 1HG2 ILE 2 4.163 -6.649 -8.508 18 2HG2 ILE 2 2HG2 ILE 2 3.524 -8.182 -9.099 19 3HG2 ILE 2 3HG2 ILE 2 2.590 -6.701 -9.301 20 1HD1 ILE 2 1HD1 ILE 2 7.466 -6.341 -9.508 21 2HD1 ILE 2 2HD1 ILE 2 5.938 -6.105 -8.662 22 3HD1 ILE 2 3HD1 ILE 2 6.317 -5.134 -10.085 23 H SER 3 H SER 3 1.942 -9.647 -12.064 24 HA SER 3 HA SER 3 -0.379 -7.984 -11.384 25 1HB SER 3 2HB SER 3 -1.579 -8.808 -13.414 26 2HB SER 3 1HB SER 3 -0.225 -7.746 -13.792 27 HG SER 3 HG SER 3 -0.017 -10.573 -13.688 28 H ASN 4 H ASN 4 -0.007 -9.463 -9.496 29 HA ASN 4 HA ASN 4 -1.567 -11.929 -9.889 30 1HB ASN 4 2HB ASN 4 -0.025 -13.174 -8.432 31 2HB ASN 4 1HB ASN 4 0.797 -12.590 -9.875 32 1HD2 ASN 4 1HD2 ASN 4 2.270 -10.724 -9.621 33 2HD2 ASN 4 2HD2 ASN 4 2.896 -10.331 -8.093 34 H ALA 5 H ALA 5 -1.131 -12.746 -7.137 35 HA ALA 5 HA ALA 5 -3.279 -11.452 -5.881 36 1HB ALA 5 1HB ALA 5 -1.031 -13.091 -4.694 37 2HB ALA 5 2HB ALA 5 -2.599 -13.688 -5.239 38 3HB ALA 5 3HB ALA 5 -2.499 -12.630 -3.832 39 H LYS 6 H LYS 6 -0.066 -10.400 -6.280 40 HA LYS 6 HA LYS 6 0.283 -8.930 -3.869 41 1HB LYS 6 2HB LYS 6 1.589 -9.013 -6.546 42 2HB LYS 6 1HB LYS 6 1.841 -7.565 -5.569 43 1HG LYS 6 2HG LYS 6 2.769 -8.824 -3.762 44 2HG LYS 6 1HG LYS 6 2.225 -10.352 -4.455 45 1HD LYS 6 2HD LYS 6 4.609 -10.113 -4.874 46 2HD LYS 6 1HD LYS 6 3.748 -9.955 -6.404 47 1HE LYS 6 2HE LYS 6 4.030 -7.599 -6.445 48 2HE LYS 6 1HE LYS 6 4.469 -7.540 -4.739 49 1HZ LYS 6 1HZ LYS 6 6.514 -7.429 -5.696 50 2HZ LYS 6 2HZ LYS 6 6.072 -8.356 -7.048 51 3HZ LYS 6 3HZ LYS 6 6.371 -9.112 -5.555 52 H ILE 7 H ILE 7 -1.003 -8.095 -7.067 53 HA ILE 7 HA ILE 7 -1.402 -5.349 -6.671 54 HB ILE 7 HB ILE 7 -3.209 -7.212 -8.236 55 1HG1 ILE 7 2HG1 ILE 7 -0.949 -7.646 -8.960 56 2HG1 ILE 7 1HG1 ILE 7 -1.681 -6.583 -10.160 57 1HG2 ILE 7 1HG2 ILE 7 -3.882 -5.307 -9.444 58 2HG2 ILE 7 2HG2 ILE 7 -2.500 -4.357 -8.901 59 3HG2 ILE 7 3HG2 ILE 7 -3.814 -4.721 -7.782 60 1HD1 ILE 7 1HD1 ILE 7 -0.662 -4.668 -8.659 61 2HD1 ILE 7 2HD1 ILE 7 0.366 -5.525 -9.805 62 3HD1 ILE 7 3HD1 ILE 7 0.407 -5.953 -8.095 63 H ALA 8 H ALA 8 -3.525 -8.111 -5.994 64 HA ALA 8 HA ALA 8 -5.734 -6.686 -5.018 65 1HB ALA 8 1HB ALA 8 -5.458 -9.224 -5.545 66 2HB ALA 8 2HB ALA 8 -6.538 -8.738 -4.237 67 3HB ALA 8 3HB ALA 8 -4.921 -9.342 -3.869 68 H ARG 9 H ARG 9 -2.773 -7.781 -3.435 69 HA ARG 9 HA ARG 9 -3.477 -7.256 -0.770 70 1HB ARG 9 2HB ARG 9 -1.350 -8.386 -1.755 71 2HB ARG 9 1HB ARG 9 -0.705 -6.746 -1.820 72 1HG ARG 9 2HG ARG 9 -1.469 -6.568 0.653 73 2HG ARG 9 1HG ARG 9 -1.571 -8.328 0.600 74 1HD ARG 9 2HD ARG 9 0.898 -6.727 -0.129 75 2HD ARG 9 1HD ARG 9 0.637 -7.510 1.426 76 HE ARG 9 HE ARG 9 0.425 -9.251 -0.901 77 1HH1 ARG 9 1HH2 ARG 9 2.407 -7.926 1.616 78 2HH1 ARG 9 2HH2 ARG 9 3.566 -9.212 1.564 79 1HH2 ARG 9 1HH1 ARG 9 1.943 -10.935 -0.967 80 2HH2 ARG 9 2HH1 ARG 9 3.306 -10.910 0.102 81 H ILE 10 H ILE 10 -1.903 -5.164 -3.187 82 HA ILE 10 HA ILE 10 -1.508 -2.892 -1.645 83 HB ILE 10 HB ILE 10 -2.227 -3.154 -4.575 84 1HG1 ILE 10 2HG1 ILE 10 0.428 -2.445 -3.306 85 2HG1 ILE 10 1HG1 ILE 10 -0.041 -4.118 -3.602 86 1HG2 ILE 10 1HG2 ILE 10 -1.202 -0.810 -4.680 87 2HG2 ILE 10 2HG2 ILE 10 -1.428 -0.741 -2.933 88 3HG2 ILE 10 3HG2 ILE 10 -2.824 -0.915 -3.998 89 1HD1 ILE 10 1HD1 ILE 10 1.160 -3.519 -5.548 90 2HD1 ILE 10 2HD1 ILE 10 0.424 -1.918 -5.616 91 3HD1 ILE 10 3HD1 ILE 10 -0.528 -3.345 -6.026 92 H ASN 11 H ASN 11 -4.304 -3.452 -3.814 93 HA ASN 11 HA ASN 11 -5.808 -1.278 -2.834 94 1HB ASN 11 2HB ASN 11 -7.492 -1.980 -4.253 95 2HB ASN 11 1HB ASN 11 -6.091 -2.731 -4.998 96 1HD2 ASN 11 1HD2 ASN 11 -6.426 -4.878 -5.514 97 2HD2 ASN 11 2HD2 ASN 11 -7.484 -5.929 -4.701 98 H GLU 12 H GLU 12 -5.695 -4.674 -1.847 99 HA GLU 12 HA GLU 12 -7.933 -4.661 -0.137 100 1HB GLU 12 2HB GLU 12 -6.770 -6.721 -0.864 101 2HB GLU 12 1HB GLU 12 -5.392 -6.283 0.146 102 1HG GLU 12 2HG GLU 12 -6.763 -6.390 2.152 103 2HG GLU 12 1HG GLU 12 -8.213 -6.663 1.187 104 H LEU 13 H LEU 13 -4.484 -4.388 0.742 105 HA LEU 13 HA LEU 13 -4.875 -3.746 3.438 106 1HB LEU 13 2HB LEU 13 -2.684 -4.141 1.805 107 2HB LEU 13 1HB LEU 13 -2.556 -2.429 2.209 108 HG LEU 13 HG LEU 13 -2.962 -4.630 4.259 109 1HD1 LEU 13 1HD1 LEU 13 -0.588 -4.327 4.798 110 2HD1 LEU 13 2HD1 LEU 13 -0.433 -3.127 3.515 111 3HD1 LEU 13 3HD1 LEU 13 -0.766 -4.812 3.112 112 1HD2 LEU 13 1HD2 LEU 13 -2.506 -1.648 4.376 113 2HD2 LEU 13 2HD2 LEU 13 -2.054 -2.683 5.731 114 3HD2 LEU 13 3HD2 LEU 13 -3.735 -2.607 5.202 115 H ALA 14 H ALA 14 -4.813 -1.704 0.560 116 HA ALA 14 HA ALA 14 -4.650 0.817 1.746 117 1HB ALA 14 1HB ALA 14 -4.572 0.397 -0.701 118 2HB ALA 14 2HB ALA 14 -5.717 1.667 -0.274 119 3HB ALA 14 3HB ALA 14 -6.301 0.053 -0.675 120 H ALA 15 H ALA 15 -7.666 -0.771 0.664 121 HA ALA 15 HA ALA 15 -9.391 0.990 2.040 122 1HB ALA 15 1HB ALA 15 -9.997 -0.567 0.130 123 2HB ALA 15 2HB ALA 15 -11.145 -0.524 1.469 124 3HB ALA 15 3HB ALA 15 -10.020 -1.874 1.314 125 H LYS 16 H LYS 16 -7.808 -2.002 2.988 126 HA LYS 16 HA LYS 16 -9.281 -2.569 5.321 127 1HB LYS 16 2HB LYS 16 -7.446 -3.978 4.108 128 2HB LYS 16 1HB LYS 16 -6.323 -3.088 5.135 129 1HG LYS 16 2HG LYS 16 -6.797 -4.915 6.493 130 2HG LYS 16 1HG LYS 16 -8.016 -3.768 7.048 131 1HD LYS 16 2HD LYS 16 -9.619 -4.780 5.389 132 2HD LYS 16 1HD LYS 16 -8.408 -6.019 5.055 133 1HE LYS 16 2HE LYS 16 -8.406 -6.616 7.480 134 2HE LYS 16 1HE LYS 16 -9.703 -5.451 7.738 135 1HZ LYS 16 1HZ LYS 16 -9.996 -7.521 5.673 136 2HZ LYS 16 2HZ LYS 16 -11.195 -6.709 6.559 137 3HZ LYS 16 3HZ LYS 16 -10.265 -7.924 7.298 138 H ALA 17 H ALA 17 -6.130 -0.945 4.982 139 HA ALA 17 HA ALA 17 -5.945 -0.025 7.631 140 1HB ALA 17 1HB ALA 17 -4.182 1.396 6.853 141 2HB ALA 17 2HB ALA 17 -4.796 1.359 5.199 142 3HB ALA 17 3HB ALA 17 -4.087 -0.091 5.910 143 H LYS 18 H LYS 18 -7.838 1.044 4.942 144 HA LYS 18 HA LYS 18 -8.232 3.738 5.919 145 1HB LYS 18 2HB LYS 18 -8.433 2.892 3.480 146 2HB LYS 18 1HB LYS 18 -10.044 2.356 3.957 147 1HG LYS 18 2HG LYS 18 -10.305 4.775 4.909 148 2HG LYS 18 1HG LYS 18 -8.945 5.158 3.854 149 1HD LYS 18 2HD LYS 18 -10.942 5.600 2.595 150 2HD LYS 18 1HD LYS 18 -10.259 4.107 1.952 151 1HE LYS 18 2HE LYS 18 -12.014 2.854 2.668 152 2HE LYS 18 1HE LYS 18 -12.120 3.711 4.205 153 1HZ LYS 18 1HZ LYS 18 -13.372 5.414 3.248 154 2HZ LYS 18 2HZ LYS 18 -14.029 3.997 2.584 155 3HZ LYS 18 3HZ LYS 18 -12.973 4.959 1.664 156 H ALA 19 H ALA 19 -10.651 1.174 5.350 157 HA ALA 19 HA ALA 19 -12.476 2.327 7.244 158 1HB ALA 19 1HB ALA 19 -13.429 1.183 5.381 159 2HB ALA 19 2HB ALA 19 -13.767 0.182 6.793 160 3HB ALA 19 3HB ALA 19 -12.467 -0.263 5.686 161 H GLY 20 H GLY 20 -9.725 0.506 7.668 162 1HA GLY 20 2HA GLY 20 -10.740 -0.919 10.041 163 2HA GLY 20 1HA GLY 20 -9.199 -1.216 9.242 164 H VAL 21 H VAL 21 -7.691 0.752 9.246 165 HA VAL 21 HA VAL 21 -7.905 2.718 11.276 166 HB VAL 21 HB VAL 21 -7.603 1.042 12.916 167 1HG1 VAL 21 1HG1 VAL 21 -5.483 -0.522 12.571 168 2HG1 VAL 21 2HG1 VAL 21 -5.786 -0.179 10.869 169 3HG1 VAL 21 3HG1 VAL 21 -7.038 -0.938 11.852 170 1HG2 VAL 21 1HG2 VAL 21 -5.864 3.036 12.773 171 2HG2 VAL 21 2HG2 VAL 21 -4.714 1.732 12.478 172 3HG2 VAL 21 3HG2 VAL 21 -5.655 1.758 13.970 173 H ILE 22 H ILE 22 -7.080 4.158 9.841 174 HA ILE 22 HA ILE 22 -4.581 3.560 8.450 175 HB ILE 22 HB ILE 22 -6.560 4.689 7.328 176 1HG1 ILE 22 2HG1 ILE 22 -5.072 6.431 6.209 177 2HG1 ILE 22 1HG1 ILE 22 -3.823 5.993 7.374 178 1HG2 ILE 22 1HG2 ILE 22 -6.927 6.202 9.382 179 2HG2 ILE 22 2HG2 ILE 22 -7.060 6.953 7.792 180 3HG2 ILE 22 3HG2 ILE 22 -5.594 7.171 8.749 181 1HD1 ILE 22 1HD1 ILE 22 -3.912 4.787 5.033 182 2HD1 ILE 22 2HD1 ILE 22 -5.180 3.828 5.795 183 3HD1 ILE 22 3HD1 ILE 22 -3.557 3.852 6.485 184 H THR 23 H THR 23 -2.679 4.715 8.729 185 HA THR 23 HA THR 23 -2.374 6.941 10.464 186 HB THR 23 HB THR 23 -2.759 5.523 12.321 187 HG1 THR 23 HG1 THR 23 0.040 5.415 11.906 188 1HG2 THR 23 1HG2 THR 23 -2.804 3.339 11.504 189 2HG2 THR 23 2HG2 THR 23 -1.310 3.331 12.441 190 3HG2 THR 23 3HG2 THR 23 -1.249 3.504 10.687 191 H GLU 24 H GLU 24 -0.060 7.446 10.840 192 HA GLU 24 HA GLU 24 1.461 7.431 8.553 193 1HB GLU 24 2HB GLU 24 2.372 7.527 11.438 194 2HB GLU 24 1HB GLU 24 3.424 7.871 10.065 195 1HG GLU 24 2HG GLU 24 0.825 9.323 10.645 196 2HG GLU 24 1HG GLU 24 2.425 9.936 11.059 197 H GLU 25 H GLU 25 1.283 4.965 11.048 198 HA GLU 25 HA GLU 25 3.548 3.447 10.384 199 1HB GLU 25 2HB GLU 25 0.883 2.434 11.407 200 2HB GLU 25 1HB GLU 25 2.431 1.597 11.518 201 1HG GLU 25 2HG GLU 25 3.259 3.059 13.133 202 2HG GLU 25 1HG GLU 25 2.183 4.367 12.650 203 H GLU 26 H GLU 26 0.181 2.624 9.538 204 HA GLU 26 HA GLU 26 0.885 0.753 7.536 205 1HB GLU 26 2HB GLU 26 -1.633 2.163 8.338 206 2HB GLU 26 1HB GLU 26 -1.597 1.286 6.809 207 1HG GLU 26 2HG GLU 26 -2.385 -0.105 8.749 208 2HG GLU 26 1HG GLU 26 -0.975 -0.769 7.928 209 H LYS 27 H LYS 27 -0.097 4.161 7.362 210 HA LYS 27 HA LYS 27 -0.250 4.481 4.609 211 1HB LYS 27 2HB LYS 27 -0.749 6.171 6.487 212 2HB LYS 27 1HB LYS 27 0.968 6.566 6.413 213 1HG LYS 27 2HG LYS 27 0.638 6.899 3.896 214 2HG LYS 27 1HG LYS 27 -1.096 6.832 4.217 215 1HD LYS 27 2HD LYS 27 0.819 8.760 5.571 216 2HD LYS 27 1HD LYS 27 -0.195 9.168 4.186 217 1HE LYS 27 2HE LYS 27 -2.150 8.260 5.681 218 2HE LYS 27 1HE LYS 27 -1.021 8.536 7.009 219 1HZ LYS 27 1HZ LYS 27 -1.664 10.644 6.945 220 2HZ LYS 27 2HZ LYS 27 -2.523 10.423 5.496 221 3HZ LYS 27 3HZ LYS 27 -0.864 10.790 5.457 222 H ALA 28 H ALA 28 2.601 4.730 6.720 223 HA ALA 28 HA ALA 28 4.466 5.455 4.735 224 1HB ALA 28 1HB ALA 28 6.159 4.510 6.338 225 2HB ALA 28 2HB ALA 28 4.816 3.962 7.341 226 3HB ALA 28 3HB ALA 28 5.057 5.686 7.055 227 H GLU 29 H GLU 29 3.398 2.290 5.917 228 HA GLU 29 HA GLU 29 5.202 0.659 4.545 229 1HB GLU 29 2HB GLU 29 3.572 -0.108 6.283 230 2HB GLU 29 1HB GLU 29 2.285 0.049 5.090 231 1HG GLU 29 2HG GLU 29 3.086 -2.278 5.205 232 2HG GLU 29 1HG GLU 29 3.434 -1.575 3.627 233 H GLN 30 H GLN 30 1.879 1.503 3.542 234 HA GLN 30 HA GLN 30 1.896 0.395 1.007 235 1HB GLN 30 2HB GLN 30 0.576 3.038 1.633 236 2HB GLN 30 1HB GLN 30 0.046 1.798 0.497 237 1HG GLN 30 2HG GLN 30 0.077 0.309 2.737 238 2HG GLN 30 1HG GLN 30 -0.213 1.886 3.467 239 1HE2 GLN 30 1HE2 GLN 30 -1.406 0.176 0.510 240 2HE2 GLN 30 2HE2 GLN 30 -3.040 0.537 0.794 241 H GLN 31 H GLN 31 3.070 3.573 2.037 242 HA GLN 31 HA GLN 31 3.628 4.681 -0.468 243 1HB GLN 31 2HB GLN 31 3.726 5.798 1.835 244 2HB GLN 31 1HB GLN 31 5.346 5.115 1.972 245 1HG GLN 31 2HG GLN 31 6.029 6.255 -0.091 246 2HG GLN 31 1HG GLN 31 4.402 6.902 -0.291 247 1HE2 GLN 31 1HE2 GLN 31 5.573 6.721 2.991 248 2HE2 GLN 31 2HE2 GLN 31 5.912 8.374 3.169 249 H LYS 32 H LYS 32 5.550 2.516 1.563 250 HA LYS 32 HA LYS 32 7.965 2.616 0.130 251 1HB LYS 32 2HB LYS 32 7.535 1.527 2.393 252 2HB LYS 32 1HB LYS 32 6.871 0.156 1.506 253 1HG LYS 32 2HG LYS 32 8.964 -0.240 0.387 254 2HG LYS 32 1HG LYS 32 9.640 1.274 0.991 255 1HD LYS 32 2HD LYS 32 9.392 0.396 3.322 256 2HD LYS 32 1HD LYS 32 8.873 -1.148 2.646 257 1HE LYS 32 2HE LYS 32 10.982 -1.604 1.729 258 2HE LYS 32 1HE LYS 32 11.464 0.093 1.748 259 1HZ LYS 32 1HZ LYS 32 12.420 -1.466 3.518 260 2HZ LYS 32 2HZ LYS 32 10.897 -1.346 4.261 261 3HZ LYS 32 3HZ LYS 32 11.840 0.048 4.016 262 H LEU 33 H LEU 33 5.478 0.060 -0.019 263 HA LEU 33 HA LEU 33 6.477 -1.255 -2.273 264 1HB LEU 33 2HB LEU 33 3.515 -1.083 -1.784 265 2HB LEU 33 1HB LEU 33 4.478 -2.457 -2.317 266 HG LEU 33 HG LEU 33 4.410 -1.261 0.469 267 1HD1 LEU 33 1HD1 LEU 33 3.619 -3.526 1.076 268 2HD1 LEU 33 2HD1 LEU 33 3.664 -3.991 -0.625 269 3HD1 LEU 33 3HD1 LEU 33 2.534 -2.751 -0.078 270 1HD2 LEU 33 1HD2 LEU 33 6.666 -1.880 0.244 271 2HD2 LEU 33 2HD2 LEU 33 6.291 -3.214 -0.848 272 3HD2 LEU 33 3HD2 LEU 33 5.937 -3.357 0.874 273 H ARG 34 H ARG 34 4.245 1.475 -2.001 274 HA ARG 34 HA ARG 34 3.525 1.664 -4.728 275 1HB ARG 34 2HB ARG 34 2.319 2.867 -2.952 276 2HB ARG 34 1HB ARG 34 3.745 3.858 -2.646 277 1HG ARG 34 2HG ARG 34 3.637 4.784 -4.904 278 2HG ARG 34 1HG ARG 34 2.287 3.721 -5.304 279 1HD ARG 34 2HD ARG 34 2.217 5.781 -3.083 280 2HD ARG 34 1HD ARG 34 1.600 6.065 -4.705 281 HE ARG 34 HE ARG 34 -0.126 4.462 -4.289 282 1HH1 ARG 34 1HH2 ARG 34 1.958 5.052 -1.571 283 2HH1 ARG 34 2HH2 ARG 34 0.854 4.385 -0.416 284 1HH2 ARG 34 1HH1 ARG 34 -1.557 3.590 -2.770 285 2HH2 ARG 34 2HH1 ARG 34 -1.129 3.563 -1.092 286 H GLN 35 H GLN 35 6.207 3.041 -2.866 287 HA GLN 35 HA GLN 35 7.281 4.676 -4.888 288 1HB GLN 35 2HB GLN 35 7.930 4.437 -2.357 289 2HB GLN 35 1HB GLN 35 9.052 3.215 -2.950 290 1HG GLN 35 2HG GLN 35 10.253 5.291 -2.938 291 2HG GLN 35 1HG GLN 35 9.877 4.941 -4.623 292 1HE2 GLN 35 1HE2 GLN 35 9.188 6.798 -5.686 293 2HE2 GLN 35 2HE2 GLN 35 8.245 8.026 -4.991 294 H GLU 36 H GLU 36 7.430 1.243 -4.294 295 HA GLU 36 HA GLU 36 9.602 0.597 -5.993 296 1HB GLU 36 2HB GLU 36 8.214 -0.843 -4.244 297 2HB GLU 36 1HB GLU 36 7.288 -1.277 -5.680 298 1HG GLU 36 2HG GLU 36 10.291 -1.565 -5.353 299 2HG GLU 36 1HG GLU 36 9.119 -2.881 -5.309 300 H TYR 37 H TYR 37 6.098 0.121 -6.603 301 HA TYR 37 HA TYR 37 6.320 -0.361 -9.347 302 1HB TYR 37 2HB TYR 37 3.941 1.203 -8.557 303 2HB TYR 37 1HB TYR 37 4.051 -0.318 -9.418 304 HD1 TYR 37 HD1 TYR 37 2.733 1.063 -6.646 305 HD2 TYR 37 HD2 TYR 37 5.280 -2.217 -7.728 306 HE1 TYR 37 HE1 TYR 37 2.049 -0.148 -4.587 307 HE2 TYR 37 HE2 TYR 37 4.610 -3.426 -5.667 308 HH TYR 37 HH TYR 37 3.411 -3.346 -3.799 309 H LEU 38 H LEU 38 5.377 2.694 -7.773 310 HA LEU 38 HA LEU 38 5.304 4.291 -10.029 311 1HB LEU 38 2HB LEU 38 5.784 4.834 -7.121 312 2HB LEU 38 1HB LEU 38 6.034 6.140 -8.274 313 HG LEU 38 HG LEU 38 3.692 5.977 -7.272 314 1HD1 LEU 38 1HD1 LEU 38 3.590 5.652 -10.262 315 2HD1 LEU 38 2HD1 LEU 38 4.428 7.030 -9.550 316 3HD1 LEU 38 3HD1 LEU 38 2.710 6.785 -9.235 317 1HD2 LEU 38 1HD2 LEU 38 3.627 3.446 -7.463 318 2HD2 LEU 38 2HD2 LEU 38 3.422 3.653 -9.201 319 3HD2 LEU 38 3HD2 LEU 38 2.201 4.273 -8.091 320 H LYS 39 H LYS 39 8.137 3.277 -8.154 321 HA LYS 39 HA LYS 39 9.988 5.136 -9.186 322 1HB LYS 39 2HB LYS 39 10.717 3.741 -7.384 323 2HB LYS 39 1HB LYS 39 10.331 2.270 -8.274 324 1HG LYS 39 2HG LYS 39 12.192 2.455 -9.658 325 2HG LYS 39 1HG LYS 39 12.292 4.205 -9.460 326 1HD LYS 39 2HD LYS 39 13.269 4.029 -7.318 327 2HD LYS 39 1HD LYS 39 12.771 2.348 -7.131 328 1HE LYS 39 2HE LYS 39 14.644 3.140 -9.354 329 2HE LYS 39 1HE LYS 39 15.261 2.845 -7.728 330 1HZ LYS 39 1HZ LYS 39 14.737 0.653 -7.820 331 2HZ LYS 39 2HZ LYS 39 15.027 0.917 -9.473 332 3HZ LYS 39 3HZ LYS 39 13.433 0.875 -8.881 333 H GLY 40 H GLY 40 8.816 2.025 -10.363 334 1HA GLY 40 2HA GLY 40 10.270 2.331 -12.897 335 2HA GLY 40 1HA GLY 40 9.328 0.925 -12.393 336 H PHE 41 H PHE 41 7.390 3.252 -11.474 337 HA PHE 41 HA PHE 41 5.712 4.579 -12.388 338 1HB PHE 41 2HB PHE 41 7.271 4.522 -14.549 339 2HB PHE 41 1HB PHE 41 6.010 3.433 -15.110 340 HD1 PHE 41 HD1 PHE 41 6.269 6.688 -13.251 341 HD2 PHE 41 HD2 PHE 41 4.232 4.396 -16.262 342 HE1 PHE 41 HE1 PHE 41 4.808 8.630 -13.746 343 HE2 PHE 41 HE2 PHE 41 2.773 6.338 -16.754 344 HZ PHE 41 HZ PHE 41 3.061 8.456 -15.497 345 H ARG 42 H ARG 42 3.854 3.737 -14.352 346 HA ARG 42 HA ARG 42 2.013 2.398 -14.608 347 1HB ARG 42 2HB ARG 42 3.821 0.218 -13.531 348 2HB ARG 42 1HB ARG 42 2.309 -0.019 -14.405 349 1HG ARG 42 2HG ARG 42 3.308 1.224 -16.346 350 2HG ARG 42 1HG ARG 42 4.843 1.255 -15.478 351 1HD ARG 42 2HD ARG 42 4.823 -1.220 -15.380 352 2HD ARG 42 1HD ARG 42 3.314 -1.237 -16.287 353 HE ARG 42 HE ARG 42 5.954 -0.823 -17.359 354 1HH1 ARG 42 1HH2 ARG 42 2.583 -0.095 -17.725 355 2HH1 ARG 42 2HH2 ARG 42 2.686 0.152 -19.436 356 1HH2 ARG 42 1HH1 ARG 42 6.085 -0.498 -19.598 357 2HH2 ARG 42 2HH1 ARG 42 4.664 -0.076 -20.493 Start of MODEL 12 1 1H MET 1 1HT MET 1 4.646 -10.589 -13.136 2 2H MET 1 2HT MET 1 5.341 -9.208 -13.841 3 3H MET 1 3HT MET 1 4.142 -9.045 -12.649 4 HA MET 1 HA MET 1 6.189 -10.611 -11.570 5 1HB MET 1 2HB MET 1 7.058 -8.232 -13.189 6 2HB MET 1 1HB MET 1 7.904 -8.610 -11.689 7 1HG MET 1 2HG MET 1 8.888 -9.669 -13.782 8 2HG MET 1 1HG MET 1 8.513 -10.793 -12.477 9 1HE MET 1 1HE MET 1 6.613 -10.379 -16.592 10 2HE MET 1 2HE MET 1 8.303 -10.181 -16.134 11 3HE MET 1 3HE MET 1 7.107 -9.006 -15.591 12 H ILE 2 H ILE 2 4.401 -7.641 -11.949 13 HA ILE 2 HA ILE 2 4.443 -7.266 -9.014 14 HB ILE 2 HB ILE 2 4.635 -5.187 -11.196 15 1HG1 ILE 2 2HG1 ILE 2 6.643 -6.424 -10.000 16 2HG1 ILE 2 1HG1 ILE 2 6.714 -4.689 -10.290 17 1HG2 ILE 2 1HG2 ILE 2 3.770 -4.906 -8.314 18 2HG2 ILE 2 2HG2 ILE 2 2.983 -4.272 -9.760 19 3HG2 ILE 2 3HG2 ILE 2 4.498 -3.563 -9.198 20 1HD1 ILE 2 1HD1 ILE 2 7.325 -5.536 -7.922 21 2HD1 ILE 2 2HD1 ILE 2 5.593 -5.792 -7.713 22 3HD1 ILE 2 3HD1 ILE 2 6.214 -4.174 -8.039 23 H SER 3 H SER 3 2.683 -7.154 -12.032 24 HA SER 3 HA SER 3 0.210 -6.336 -10.712 25 1HB SER 3 2HB SER 3 -0.747 -6.329 -12.951 26 2HB SER 3 1HB SER 3 0.784 -5.460 -12.965 27 HG SER 3 HG SER 3 0.157 -8.032 -13.941 28 H ASN 4 H ASN 4 -0.277 -8.038 -9.351 29 HA ASN 4 HA ASN 4 -1.747 -10.198 -10.457 30 1HB ASN 4 2HB ASN 4 -0.279 -12.055 -9.668 31 2HB ASN 4 1HB ASN 4 0.429 -11.136 -10.993 32 1HD2 ASN 4 1HD2 ASN 4 1.663 -9.000 -9.899 33 2HD2 ASN 4 2HD2 ASN 4 2.756 -9.442 -8.683 34 H ALA 5 H ALA 5 -0.214 -11.512 -7.841 35 HA ALA 5 HA ALA 5 -2.432 -11.131 -6.090 36 1HB ALA 5 1HB ALA 5 -0.848 -12.257 -4.423 37 2HB ALA 5 2HB ALA 5 0.308 -12.350 -5.751 38 3HB ALA 5 3HB ALA 5 -1.247 -13.174 -5.876 39 H LYS 6 H LYS 6 0.471 -9.374 -6.692 40 HA LYS 6 HA LYS 6 0.797 -8.131 -4.154 41 1HB LYS 6 2HB LYS 6 1.728 -7.542 -6.946 42 2HB LYS 6 1HB LYS 6 1.919 -6.311 -5.698 43 1HG LYS 6 2HG LYS 6 2.778 -9.125 -5.104 44 2HG LYS 6 1HG LYS 6 3.821 -8.105 -6.096 45 1HD LYS 6 2HD LYS 6 3.770 -6.365 -4.311 46 2HD LYS 6 1HD LYS 6 2.806 -7.452 -3.312 47 1HE LYS 6 2HE LYS 6 5.010 -7.828 -2.561 48 2HE LYS 6 1HE LYS 6 4.724 -9.158 -3.681 49 1HZ LYS 6 1HZ LYS 6 5.647 -7.229 -5.310 50 2HZ LYS 6 2HZ LYS 6 6.606 -8.454 -4.627 51 3HZ LYS 6 3HZ LYS 6 6.535 -6.921 -3.897 52 H ILE 7 H ILE 7 -1.077 -7.350 -7.046 53 HA ILE 7 HA ILE 7 -1.937 -4.767 -6.363 54 HB ILE 7 HB ILE 7 -3.310 -6.967 -7.928 55 1HG1 ILE 7 2HG1 ILE 7 -2.230 -4.431 -9.101 56 2HG1 ILE 7 1HG1 ILE 7 -1.074 -5.674 -8.619 57 1HG2 ILE 7 1HG2 ILE 7 -4.113 -4.108 -7.378 58 2HG2 ILE 7 2HG2 ILE 7 -5.100 -5.566 -7.268 59 3HG2 ILE 7 3HG2 ILE 7 -4.631 -4.936 -8.847 60 1HD1 ILE 7 1HD1 ILE 7 -2.140 -7.312 -10.041 61 2HD1 ILE 7 2HD1 ILE 7 -1.843 -5.868 -11.009 62 3HD1 ILE 7 3HD1 ILE 7 -3.464 -6.205 -10.404 63 H ALA 8 H ALA 8 -3.366 -7.945 -5.644 64 HA ALA 8 HA ALA 8 -5.642 -7.077 -4.267 65 1HB ALA 8 1HB ALA 8 -4.028 -9.579 -4.332 66 2HB ALA 8 2HB ALA 8 -5.747 -9.337 -4.643 67 3HB ALA 8 3HB ALA 8 -5.147 -9.374 -2.984 68 H ARG 9 H ARG 9 -2.346 -7.709 -3.101 69 HA ARG 9 HA ARG 9 -2.833 -7.324 -0.355 70 1HB ARG 9 2HB ARG 9 -0.736 -8.283 -1.216 71 2HB ARG 9 1HB ARG 9 -0.320 -6.733 -1.943 72 1HG ARG 9 2HG ARG 9 0.842 -6.969 0.194 73 2HG ARG 9 1HG ARG 9 -0.362 -5.688 0.321 74 1HD ARG 9 2HD ARG 9 -1.787 -6.977 1.648 75 2HD ARG 9 1HD ARG 9 -1.113 -8.499 1.069 76 HE ARG 9 HE ARG 9 0.845 -6.985 2.500 77 1HH1 ARG 9 1HH2 ARG 9 -1.977 -8.966 2.871 78 2HH1 ARG 9 2HH2 ARG 9 -1.532 -9.536 4.445 79 1HH2 ARG 9 1HH1 ARG 9 1.429 -7.738 4.556 80 2HH2 ARG 9 2HH1 ARG 9 0.400 -8.853 5.392 81 H ILE 10 H ILE 10 -1.322 -5.018 -2.620 82 HA ILE 10 HA ILE 10 -1.379 -2.757 -1.023 83 HB ILE 10 HB ILE 10 -1.820 -2.866 -4.018 84 1HG1 ILE 10 2HG1 ILE 10 0.231 -4.086 -2.945 85 2HG1 ILE 10 1HG1 ILE 10 0.508 -2.992 -4.298 86 1HG2 ILE 10 1HG2 ILE 10 -0.588 -0.616 -3.826 87 2HG2 ILE 10 2HG2 ILE 10 -0.963 -0.690 -2.104 88 3HG2 ILE 10 3HG2 ILE 10 -2.267 -0.654 -3.291 89 1HD1 ILE 10 1HD1 ILE 10 1.428 -1.337 -2.943 90 2HD1 ILE 10 2HD1 ILE 10 1.990 -2.799 -2.135 91 3HD1 ILE 10 3HD1 ILE 10 0.604 -1.918 -1.495 92 H ASN 11 H ASN 11 -3.833 -3.799 -3.381 93 HA ASN 11 HA ASN 11 -5.672 -1.727 -2.952 94 1HB ASN 11 2HB ASN 11 -5.912 -3.097 -4.890 95 2HB ASN 11 1HB ASN 11 -6.014 -4.565 -3.923 96 1HD2 ASN 11 1HD2 ASN 11 -8.137 -5.228 -4.492 97 2HD2 ASN 11 2HD2 ASN 11 -9.519 -4.295 -4.184 98 H GLU 12 H GLU 12 -5.824 -5.065 -1.667 99 HA GLU 12 HA GLU 12 -8.024 -4.664 0.012 100 1HB GLU 12 2HB GLU 12 -6.984 -6.882 -0.630 101 2HB GLU 12 1HB GLU 12 -5.749 -6.569 0.589 102 1HG GLU 12 2HG GLU 12 -7.253 -7.720 1.902 103 2HG GLU 12 1HG GLU 12 -7.908 -6.099 2.106 104 H LEU 13 H LEU 13 -4.551 -4.564 0.857 105 HA LEU 13 HA LEU 13 -4.872 -3.907 3.560 106 1HB LEU 13 2HB LEU 13 -2.730 -4.493 2.098 107 2HB LEU 13 1HB LEU 13 -2.578 -2.738 2.043 108 HG LEU 13 HG LEU 13 -2.926 -4.313 4.611 109 1HD1 LEU 13 1HD1 LEU 13 -0.473 -3.767 4.922 110 2HD1 LEU 13 2HD1 LEU 13 -0.431 -3.292 3.224 111 3HD1 LEU 13 3HD1 LEU 13 -0.804 -4.959 3.665 112 1HD2 LEU 13 1HD2 LEU 13 -2.562 -1.436 3.873 113 2HD2 LEU 13 2HD2 LEU 13 -1.778 -2.009 5.343 114 3HD2 LEU 13 3HD2 LEU 13 -3.527 -2.148 5.166 115 H ALA 14 H ALA 14 -4.296 -1.733 0.789 116 HA ALA 14 HA ALA 14 -4.400 0.695 2.157 117 1HB ALA 14 1HB ALA 14 -3.680 0.541 -0.171 118 2HB ALA 14 2HB ALA 14 -5.013 1.687 -0.031 119 3HB ALA 14 3HB ALA 14 -5.305 0.067 -0.663 120 H ALA 15 H ALA 15 -7.066 -0.833 0.332 121 HA ALA 15 HA ALA 15 -9.074 0.948 1.151 122 1HB ALA 15 1HB ALA 15 -10.646 -0.877 0.478 123 2HB ALA 15 2HB ALA 15 -9.254 -1.945 0.287 124 3HB ALA 15 3HB ALA 15 -9.418 -0.519 -0.737 125 H LYS 16 H LYS 16 -7.835 -1.980 2.652 126 HA LYS 16 HA LYS 16 -9.862 -2.342 4.582 127 1HB LYS 16 2HB LYS 16 -8.303 -4.128 4.157 128 2HB LYS 16 1HB LYS 16 -6.932 -3.107 4.589 129 1HG LYS 16 2HG LYS 16 -7.639 -3.007 6.896 130 2HG LYS 16 1HG LYS 16 -9.166 -3.805 6.514 131 1HD LYS 16 2HD LYS 16 -7.721 -5.480 7.461 132 2HD LYS 16 1HD LYS 16 -7.809 -5.803 5.730 133 1HE LYS 16 2HE LYS 16 -5.628 -5.167 5.359 134 2HE LYS 16 1HE LYS 16 -5.642 -3.974 6.658 135 1HZ LYS 16 1HZ LYS 16 -4.305 -5.666 7.469 136 2HZ LYS 16 2HZ LYS 16 -5.292 -6.898 6.842 137 3HZ LYS 16 3HZ LYS 16 -5.807 -5.997 8.186 138 H ALA 17 H ALA 17 -6.569 -1.109 5.148 139 HA ALA 17 HA ALA 17 -7.066 0.012 7.661 140 1HB ALA 17 1HB ALA 17 -5.063 1.015 5.626 141 2HB ALA 17 2HB ALA 17 -4.809 -0.408 6.636 142 3HB ALA 17 3HB ALA 17 -4.975 1.183 7.380 143 H LYS 18 H LYS 18 -7.765 1.174 4.455 144 HA LYS 18 HA LYS 18 -8.154 3.932 5.247 145 1HB LYS 18 2HB LYS 18 -7.510 3.222 2.928 146 2HB LYS 18 1HB LYS 18 -9.123 2.537 2.739 147 1HG LYS 18 2HG LYS 18 -9.189 4.739 1.783 148 2HG LYS 18 1HG LYS 18 -10.044 4.833 3.323 149 1HD LYS 18 2HD LYS 18 -8.331 6.018 4.362 150 2HD LYS 18 1HD LYS 18 -7.096 5.396 3.267 151 1HE LYS 18 2HE LYS 18 -7.608 6.924 1.598 152 2HE LYS 18 1HE LYS 18 -9.277 7.112 2.136 153 1HZ LYS 18 1HZ LYS 18 -8.510 8.328 4.055 154 2HZ LYS 18 2HZ LYS 18 -7.912 9.061 2.643 155 3HZ LYS 18 3HZ LYS 18 -6.891 8.101 3.603 156 H ALA 19 H ALA 19 -10.169 1.084 4.776 157 HA ALA 19 HA ALA 19 -12.668 2.471 5.042 158 1HB ALA 19 1HB ALA 19 -11.927 -0.454 5.190 159 2HB ALA 19 2HB ALA 19 -12.644 0.402 3.826 160 3HB ALA 19 3HB ALA 19 -13.584 0.139 5.295 161 H GLY 20 H GLY 20 -10.353 1.153 7.272 162 1HA GLY 20 2HA GLY 20 -12.306 1.248 9.478 163 2HA GLY 20 1HA GLY 20 -10.718 0.495 9.546 164 H VAL 21 H VAL 21 -8.831 1.955 9.459 165 HA VAL 21 HA VAL 21 -9.135 4.758 9.994 166 HB VAL 21 HB VAL 21 -7.960 4.480 12.308 167 1HG1 VAL 21 1HG1 VAL 21 -10.424 5.200 11.679 168 2HG1 VAL 21 2HG1 VAL 21 -9.996 4.860 13.355 169 3HG1 VAL 21 3HG1 VAL 21 -10.838 3.643 12.399 170 1HG2 VAL 21 1HG2 VAL 21 -7.652 2.028 12.113 171 2HG2 VAL 21 2HG2 VAL 21 -9.402 1.818 12.067 172 3HG2 VAL 21 3HG2 VAL 21 -8.627 2.445 13.522 173 H ILE 22 H ILE 22 -7.636 4.836 8.265 174 HA ILE 22 HA ILE 22 -5.130 3.475 8.349 175 HB ILE 22 HB ILE 22 -6.221 4.329 6.257 176 1HG1 ILE 22 2HG1 ILE 22 -3.528 5.644 6.496 177 2HG1 ILE 22 1HG1 ILE 22 -3.651 3.895 6.688 178 1HG2 ILE 22 1HG2 ILE 22 -5.125 7.033 7.032 179 2HG2 ILE 22 2HG2 ILE 22 -6.791 6.578 7.396 180 3HG2 ILE 22 3HG2 ILE 22 -6.237 6.631 5.723 181 1HD1 ILE 22 1HD1 ILE 22 -4.734 5.435 4.311 182 2HD1 ILE 22 2HD1 ILE 22 -4.695 3.682 4.498 183 3HD1 ILE 22 3HD1 ILE 22 -3.189 4.584 4.329 184 H THR 23 H THR 23 -3.016 4.667 8.376 185 HA THR 23 HA THR 23 -2.831 7.169 9.767 186 HB THR 23 HB THR 23 -3.313 6.058 11.774 187 HG1 THR 23 HG1 THR 23 -0.744 5.409 12.164 188 1HG2 THR 23 1HG2 THR 23 -3.483 3.796 11.353 189 2HG2 THR 23 2HG2 THR 23 -1.932 3.812 12.195 190 3HG2 THR 23 3HG2 THR 23 -1.979 3.744 10.433 191 H GLU 24 H GLU 24 -0.550 7.715 10.274 192 HA GLU 24 HA GLU 24 1.137 7.426 8.111 193 1HB GLU 24 2HB GLU 24 1.988 7.844 10.989 194 2HB GLU 24 1HB GLU 24 2.921 8.266 9.553 195 1HG GLU 24 2HG GLU 24 0.255 9.450 10.390 196 2HG GLU 24 1HG GLU 24 1.817 10.267 10.399 197 H GLU 25 H GLU 25 0.734 5.306 10.873 198 HA GLU 25 HA GLU 25 3.072 3.772 10.674 199 1HB GLU 25 2HB GLU 25 1.322 3.690 12.510 200 2HB GLU 25 1HB GLU 25 0.343 2.703 11.424 201 1HG GLU 25 2HG GLU 25 2.670 1.359 11.230 202 2HG GLU 25 1HG GLU 25 2.867 2.021 12.851 203 H GLU 26 H GLU 26 -0.164 2.931 9.414 204 HA GLU 26 HA GLU 26 0.711 0.773 7.817 205 1HB GLU 26 2HB GLU 26 -1.737 2.537 7.523 206 2HB GLU 26 1HB GLU 26 -1.491 1.006 6.686 207 1HG GLU 26 2HG GLU 26 -1.430 1.271 9.706 208 2HG GLU 26 1HG GLU 26 -2.887 0.860 8.805 209 H LYS 27 H LYS 27 0.089 4.183 7.072 210 HA LYS 27 HA LYS 27 0.551 4.151 4.321 211 1HB LYS 27 2HB LYS 27 -0.242 6.075 5.883 212 2HB LYS 27 1HB LYS 27 1.477 6.428 6.054 213 1HG LYS 27 2HG LYS 27 0.989 7.736 4.205 214 2HG LYS 27 1HG LYS 27 1.437 6.232 3.404 215 1HD LYS 27 2HD LYS 27 -0.586 6.601 2.361 216 2HD LYS 27 1HD LYS 27 -1.162 5.702 3.763 217 1HE LYS 27 2HE LYS 27 -1.255 8.676 3.267 218 2HE LYS 27 1HE LYS 27 -2.570 7.593 3.713 219 1HZ LYS 27 1HZ LYS 27 -1.679 7.359 5.889 220 2HZ LYS 27 2HZ LYS 27 -1.750 9.022 5.548 221 3HZ LYS 27 3HZ LYS 27 -0.265 8.200 5.477 222 H ALA 28 H ALA 28 2.835 4.370 7.016 223 HA ALA 28 HA ALA 28 5.158 4.954 5.544 224 1HB ALA 28 1HB ALA 28 4.916 3.340 8.095 225 2HB ALA 28 2HB ALA 28 5.032 5.098 8.004 226 3HB ALA 28 3HB ALA 28 6.386 4.096 7.482 227 H GLU 29 H GLU 29 3.781 1.820 6.539 228 HA GLU 29 HA GLU 29 5.778 0.170 5.461 229 1HB GLU 29 2HB GLU 29 3.944 -0.608 6.959 230 2HB GLU 29 1HB GLU 29 2.813 -0.433 5.617 231 1HG GLU 29 2HG GLU 29 5.309 -2.081 5.271 232 2HG GLU 29 1HG GLU 29 3.907 -2.775 6.077 233 H GLN 30 H GLN 30 2.576 0.784 4.009 234 HA GLN 30 HA GLN 30 3.059 -0.278 1.504 235 1HB GLN 30 2HB GLN 30 1.370 2.186 1.895 236 2HB GLN 30 1HB GLN 30 1.136 0.865 0.751 237 1HG GLN 30 2HG GLN 30 1.128 -0.466 3.161 238 2HG GLN 30 1HG GLN 30 0.353 1.057 3.585 239 1HE2 GLN 30 1HE2 GLN 30 -1.820 1.309 2.981 240 2HE2 GLN 30 2HE2 GLN 30 -2.655 0.239 1.961 241 H GLN 31 H GLN 31 4.314 2.650 2.827 242 HA GLN 31 HA GLN 31 4.706 4.249 0.593 243 1HB GLN 31 2HB GLN 31 5.286 4.751 3.030 244 2HB GLN 31 1HB GLN 31 6.794 3.883 2.739 245 1HG GLN 31 2HG GLN 31 6.996 5.451 0.656 246 2HG GLN 31 1HG GLN 31 5.830 6.455 1.514 247 1HE2 GLN 31 1HE2 GLN 31 7.131 5.335 4.145 248 2HE2 GLN 31 2HE2 GLN 31 8.515 6.303 4.319 249 H LYS 32 H LYS 32 6.691 1.544 1.760 250 HA LYS 32 HA LYS 32 8.798 1.789 -0.082 251 1HB LYS 32 2HB LYS 32 8.652 0.298 1.999 252 2HB LYS 32 1HB LYS 32 7.783 -0.848 0.976 253 1HG LYS 32 2HG LYS 32 9.695 -0.799 -0.633 254 2HG LYS 32 1HG LYS 32 10.571 0.245 0.486 255 1HD LYS 32 2HD LYS 32 9.456 -2.369 1.466 256 2HD LYS 32 1HD LYS 32 10.963 -2.355 0.551 257 1HE LYS 32 2HE LYS 32 10.465 -0.652 3.010 258 2HE LYS 32 1HE LYS 32 11.296 -2.207 3.037 259 1HZ LYS 32 1HZ LYS 32 12.201 0.365 2.020 260 2HZ LYS 32 2HZ LYS 32 12.632 -0.995 1.098 261 3HZ LYS 32 3HZ LYS 32 13.086 -0.895 2.732 262 H LEU 33 H LEU 33 6.142 -0.600 -0.212 263 HA LEU 33 HA LEU 33 6.597 -1.459 -2.828 264 1HB LEU 33 2HB LEU 33 4.053 -1.361 -1.193 265 2HB LEU 33 1HB LEU 33 4.166 -2.157 -2.763 266 HG LEU 33 HG LEU 33 6.215 -2.828 -0.683 267 1HD1 LEU 33 1HD1 LEU 33 4.018 -2.940 0.494 268 2HD1 LEU 33 2HD1 LEU 33 4.755 -4.530 0.293 269 3HD1 LEU 33 3HD1 LEU 33 3.430 -4.033 -0.759 270 1HD2 LEU 33 1HD2 LEU 33 6.103 -5.009 -1.819 271 2HD2 LEU 33 2HD2 LEU 33 6.345 -3.719 -2.995 272 3HD2 LEU 33 3HD2 LEU 33 4.749 -4.443 -2.799 273 H ARG 34 H ARG 34 4.586 1.200 -1.626 274 HA ARG 34 HA ARG 34 3.399 1.899 -4.097 275 1HB ARG 34 2HB ARG 34 2.653 2.648 -1.804 276 2HB ARG 34 1HB ARG 34 4.006 3.778 -1.808 277 1HG ARG 34 2HG ARG 34 3.094 4.640 -4.040 278 2HG ARG 34 1HG ARG 34 1.633 3.718 -3.682 279 1HD ARG 34 2HD ARG 34 1.246 4.966 -1.662 280 2HD ARG 34 1HD ARG 34 2.824 5.741 -1.772 281 HE ARG 34 HE ARG 34 1.075 6.229 -4.040 282 1HH1 ARG 34 1HH2 ARG 34 2.140 7.232 -0.893 283 2HH1 ARG 34 2HH2 ARG 34 1.665 8.883 -1.110 284 1HH2 ARG 34 1HH1 ARG 34 0.450 8.392 -4.322 285 2HH2 ARG 34 2HH1 ARG 34 0.708 9.538 -3.048 286 H GLN 35 H GLN 35 6.399 2.927 -2.518 287 HA GLN 35 HA GLN 35 7.083 5.033 -4.247 288 1HB GLN 35 2HB GLN 35 8.615 3.202 -2.438 289 2HB GLN 35 1HB GLN 35 9.505 4.221 -3.564 290 1HG GLN 35 2HG GLN 35 7.334 5.479 -1.930 291 2HG GLN 35 1HG GLN 35 8.866 5.104 -1.141 292 1HE2 GLN 35 1HE2 GLN 35 7.273 7.416 -3.107 293 2HE2 GLN 35 2HE2 GLN 35 8.645 8.308 -3.560 294 H GLU 36 H GLU 36 8.108 1.620 -4.320 295 HA GLU 36 HA GLU 36 9.489 1.793 -6.789 296 1HB GLU 36 2HB GLU 36 9.538 -0.040 -4.919 297 2HB GLU 36 1HB GLU 36 8.212 -0.749 -5.839 298 1HG GLU 36 2HG GLU 36 9.629 -0.715 -7.878 299 2HG GLU 36 1HG GLU 36 10.958 -0.054 -6.926 300 H TYR 37 H TYR 37 6.162 0.900 -5.942 301 HA TYR 37 HA TYR 37 5.301 -0.052 -8.413 302 1HB TYR 37 2HB TYR 37 3.981 -0.082 -6.267 303 2HB TYR 37 1HB TYR 37 3.622 1.624 -6.535 304 HD1 TYR 37 HD1 TYR 37 3.353 -1.757 -8.101 305 HD2 TYR 37 HD2 TYR 37 1.897 2.284 -8.015 306 HE1 TYR 37 HE1 TYR 37 1.525 -2.383 -9.654 307 HE2 TYR 37 HE2 TYR 37 0.068 1.657 -9.567 308 HH TYR 37 HH TYR 37 -0.559 0.020 -11.103 309 H LEU 38 H LEU 38 5.103 3.297 -7.176 310 HA LEU 38 HA LEU 38 4.047 4.462 -9.501 311 1HB LEU 38 2HB LEU 38 5.351 5.403 -7.034 312 2HB LEU 38 1HB LEU 38 5.576 6.470 -8.419 313 HG LEU 38 HG LEU 38 3.506 6.927 -7.008 314 1HD1 LEU 38 1HD1 LEU 38 2.002 6.871 -9.190 315 2HD1 LEU 38 2HD1 LEU 38 3.525 6.440 -9.964 316 3HD1 LEU 38 3HD1 LEU 38 3.385 7.958 -9.080 317 1HD2 LEU 38 1HD2 LEU 38 3.105 4.287 -6.981 318 2HD2 LEU 38 2HD2 LEU 38 2.190 4.653 -8.444 319 3HD2 LEU 38 3HD2 LEU 38 1.754 5.418 -6.916 320 H LYS 39 H LYS 39 7.312 3.530 -8.683 321 HA LYS 39 HA LYS 39 8.678 5.082 -10.620 322 1HB LYS 39 2HB LYS 39 9.647 3.776 -8.618 323 2HB LYS 39 1HB LYS 39 9.599 2.370 -9.681 324 1HG LYS 39 2HG LYS 39 11.059 3.415 -11.276 325 2HG LYS 39 1HG LYS 39 10.932 4.973 -10.461 326 1HD LYS 39 2HD LYS 39 13.036 4.043 -9.791 327 2HD LYS 39 1HD LYS 39 11.951 3.851 -8.414 328 1HE LYS 39 2HE LYS 39 11.691 1.543 -8.777 329 2HE LYS 39 1HE LYS 39 12.208 1.652 -10.459 330 1HZ LYS 39 1HZ LYS 39 13.893 1.924 -8.035 331 2HZ LYS 39 2HZ LYS 39 14.435 2.312 -9.597 332 3HZ LYS 39 3HZ LYS 39 13.982 0.718 -9.222 333 H GLY 40 H GLY 40 8.008 1.571 -10.687 334 1HA GLY 40 2HA GLY 40 8.427 1.462 -13.551 335 2HA GLY 40 1HA GLY 40 8.004 0.116 -12.500 336 H PHE 41 H PHE 41 5.837 2.316 -11.613 337 HA PHE 41 HA PHE 41 3.497 2.002 -11.835 338 1HB PHE 41 2HB PHE 41 4.358 4.199 -12.808 339 2HB PHE 41 1HB PHE 41 4.174 3.454 -14.394 340 HD1 PHE 41 HD1 PHE 41 2.211 3.796 -11.198 341 HD2 PHE 41 HD2 PHE 41 2.153 3.813 -15.495 342 HE1 PHE 41 HE1 PHE 41 -0.215 4.314 -11.166 343 HE2 PHE 41 HE2 PHE 41 -0.270 4.331 -15.460 344 HZ PHE 41 HZ PHE 41 -1.455 4.582 -13.297 345 H ARG 42 H ARG 42 3.901 -0.415 -12.298 346 HA ARG 42 HA ARG 42 3.176 -2.290 -13.399 347 1HB ARG 42 2HB ARG 42 1.200 -0.575 -13.880 348 2HB ARG 42 1HB ARG 42 1.814 -0.696 -15.530 349 1HG ARG 42 2HG ARG 42 1.744 -3.253 -15.172 350 2HG ARG 42 1HG ARG 42 0.736 -2.900 -13.769 351 1HD ARG 42 2HD ARG 42 0.165 -2.347 -16.677 352 2HD ARG 42 1HD ARG 42 -0.818 -3.236 -15.516 353 HE ARG 42 HE ARG 42 -0.455 -0.476 -14.773 354 1HH1 ARG 42 1HH2 ARG 42 -2.254 -2.691 -16.740 355 2HH1 ARG 42 2HH2 ARG 42 -3.645 -1.665 -16.859 356 1HH2 ARG 42 1HH1 ARG 42 -2.273 0.866 -14.926 357 2HH2 ARG 42 2HH1 ARG 42 -3.658 0.343 -15.826 Start of MODEL 13 1 1H MET 1 1HT MET 1 -1.665 -6.748 -18.315 2 2H MET 1 2HT MET 1 -1.538 -8.006 -17.182 3 3H MET 1 3HT MET 1 -0.787 -8.146 -18.699 4 HA MET 1 HA MET 1 1.054 -7.433 -17.701 5 1HB MET 1 2HB MET 1 -0.345 -4.782 -17.326 6 2HB MET 1 1HB MET 1 1.337 -5.082 -17.758 7 1HG MET 1 2HG MET 1 -1.122 -5.444 -19.481 8 2HG MET 1 1HG MET 1 0.276 -4.412 -19.785 9 1HE MET 1 1HE MET 1 0.327 -6.798 -22.622 10 2HE MET 1 2HE MET 1 -0.799 -5.721 -21.801 11 3HE MET 1 3HE MET 1 -1.021 -7.464 -21.689 12 H ILE 2 H ILE 2 -1.172 -5.354 -15.852 13 HA ILE 2 HA ILE 2 -0.001 -6.412 -13.369 14 HB ILE 2 HB ILE 2 -1.826 -4.012 -13.591 15 1HG1 ILE 2 2HG1 ILE 2 1.205 -3.990 -13.743 16 2HG1 ILE 2 1HG1 ILE 2 0.162 -3.826 -15.156 17 1HG2 ILE 2 1HG2 ILE 2 -1.016 -3.458 -11.462 18 2HG2 ILE 2 2HG2 ILE 2 0.456 -4.409 -11.666 19 3HG2 ILE 2 3HG2 ILE 2 -1.082 -5.218 -11.369 20 1HD1 ILE 2 1HD1 ILE 2 0.298 -1.969 -12.765 21 2HD1 ILE 2 2HD1 ILE 2 -0.935 -1.859 -14.021 22 3HD1 ILE 2 3HD1 ILE 2 0.761 -1.603 -14.424 23 H SER 3 H SER 3 -2.694 -5.087 -12.271 24 HA SER 3 HA SER 3 -4.683 -5.884 -11.446 25 1HB SER 3 2HB SER 3 -4.965 -7.828 -13.693 26 2HB SER 3 1HB SER 3 -6.160 -6.745 -12.984 27 HG SER 3 HG SER 3 -4.914 -6.344 -15.182 28 H ASN 4 H ASN 4 -1.965 -7.634 -11.561 29 HA ASN 4 HA ASN 4 -2.930 -10.247 -10.848 30 1HB ASN 4 2HB ASN 4 -0.414 -10.428 -10.088 31 2HB ASN 4 1HB ASN 4 -0.823 -10.380 -11.798 32 1HD2 ASN 4 1HD2 ASN 4 -1.050 -7.475 -9.777 33 2HD2 ASN 4 2HD2 ASN 4 0.263 -6.672 -10.493 34 H ALA 5 H ALA 5 -1.362 -10.957 -8.698 35 HA ALA 5 HA ALA 5 -2.939 -10.322 -6.495 36 1HB ALA 5 1HB ALA 5 -0.110 -11.358 -6.688 37 2HB ALA 5 2HB ALA 5 -1.588 -12.276 -6.392 38 3HB ALA 5 3HB ALA 5 -0.960 -11.189 -5.152 39 H LYS 6 H LYS 6 -0.635 -8.355 -8.035 40 HA LYS 6 HA LYS 6 0.379 -6.908 -5.806 41 1HB LYS 6 2HB LYS 6 0.027 -6.039 -8.690 42 2HB LYS 6 1HB LYS 6 0.980 -5.184 -7.479 43 1HG LYS 6 2HG LYS 6 1.478 -8.078 -8.224 44 2HG LYS 6 1HG LYS 6 2.314 -6.727 -8.991 45 1HD LYS 6 2HD LYS 6 2.775 -6.023 -6.469 46 2HD LYS 6 1HD LYS 6 2.533 -7.746 -6.182 47 1HE LYS 6 2HE LYS 6 4.557 -6.475 -8.047 48 2HE LYS 6 1HE LYS 6 4.891 -7.383 -6.573 49 1HZ LYS 6 1HZ LYS 6 5.215 -8.812 -8.438 50 2HZ LYS 6 2HZ LYS 6 3.689 -8.428 -9.078 51 3HZ LYS 6 3HZ LYS 6 3.810 -9.319 -7.636 52 H ILE 7 H ILE 7 -2.181 -6.071 -8.168 53 HA ILE 7 HA ILE 7 -3.067 -3.741 -6.889 54 HB ILE 7 HB ILE 7 -4.619 -5.720 -8.580 55 1HG1 ILE 7 2HG1 ILE 7 -2.726 -4.716 -9.762 56 2HG1 ILE 7 1HG1 ILE 7 -4.225 -4.006 -10.358 57 1HG2 ILE 7 1HG2 ILE 7 -6.253 -4.450 -7.399 58 2HG2 ILE 7 2HG2 ILE 7 -6.086 -3.644 -8.959 59 3HG2 ILE 7 3HG2 ILE 7 -5.305 -2.967 -7.528 60 1HD1 ILE 7 1HD1 ILE 7 -3.792 -2.182 -8.526 61 2HD1 ILE 7 2HD1 ILE 7 -2.875 -2.118 -10.030 62 3HD1 ILE 7 3HD1 ILE 7 -2.133 -2.781 -8.574 63 H ALA 8 H ALA 8 -4.266 -7.081 -6.598 64 HA ALA 8 HA ALA 8 -6.319 -6.641 -4.764 65 1HB ALA 8 1HB ALA 8 -5.606 -8.806 -6.018 66 2HB ALA 8 2HB ALA 8 -6.331 -8.954 -4.417 67 3HB ALA 8 3HB ALA 8 -4.584 -9.091 -4.611 68 H ARG 9 H ARG 9 -2.856 -7.097 -4.227 69 HA ARG 9 HA ARG 9 -2.898 -7.353 -1.426 70 1HB ARG 9 2HB ARG 9 -0.938 -7.815 -2.916 71 2HB ARG 9 1HB ARG 9 -0.725 -6.075 -3.101 72 1HG ARG 9 2HG ARG 9 -0.601 -5.934 -0.568 73 2HG ARG 9 1HG ARG 9 -0.524 -7.696 -0.553 74 1HD ARG 9 2HD ARG 9 1.402 -7.294 -2.332 75 2HD ARG 9 1HD ARG 9 1.488 -5.717 -1.555 76 HE ARG 9 HE ARG 9 2.353 -8.222 -0.441 77 1HH1 ARG 9 1HH2 ARG 9 1.061 -5.083 0.262 78 2HH1 ARG 9 2HH2 ARG 9 1.690 -5.038 1.876 79 1HH2 ARG 9 1HH1 ARG 9 3.177 -8.165 1.671 80 2HH2 ARG 9 2HH1 ARG 9 2.887 -6.782 2.672 81 H ILE 10 H ILE 10 -1.634 -4.476 -3.081 82 HA ILE 10 HA ILE 10 -1.847 -2.712 -0.960 83 HB ILE 10 HB ILE 10 -2.048 -2.143 -3.927 84 1HG1 ILE 10 2HG1 ILE 10 0.353 -1.787 -2.130 85 2HG1 ILE 10 1HG1 ILE 10 0.008 -3.349 -2.868 86 1HG2 ILE 10 1HG2 ILE 10 -2.866 -0.210 -2.724 87 2HG2 ILE 10 2HG2 ILE 10 -1.206 0.134 -3.211 88 3HG2 ILE 10 3HG2 ILE 10 -1.556 -0.329 -1.546 89 1HD1 ILE 10 1HD1 ILE 10 1.572 -1.881 -4.208 90 2HD1 ILE 10 2HD1 ILE 10 0.219 -0.777 -4.451 91 3HD1 ILE 10 3HD1 ILE 10 0.140 -2.420 -5.085 92 H ASN 11 H ASN 11 -4.294 -3.579 -3.360 93 HA ASN 11 HA ASN 11 -6.190 -1.587 -2.810 94 1HB ASN 11 2HB ASN 11 -6.518 -2.975 -4.724 95 2HB ASN 11 1HB ASN 11 -6.483 -4.444 -3.751 96 1HD2 ASN 11 1HD2 ASN 11 -8.527 -5.290 -3.437 97 2HD2 ASN 11 2HD2 ASN 11 -9.953 -4.382 -3.328 98 H GLU 12 H GLU 12 -6.280 -4.956 -1.629 99 HA GLU 12 HA GLU 12 -8.261 -4.522 0.311 100 1HB GLU 12 2HB GLU 12 -6.256 -6.647 -0.246 101 2HB GLU 12 1HB GLU 12 -6.980 -6.626 1.362 102 1HG GLU 12 2HG GLU 12 -9.195 -6.810 0.476 103 2HG GLU 12 1HG GLU 12 -8.641 -6.472 -1.162 104 H LEU 13 H LEU 13 -4.783 -4.038 0.413 105 HA LEU 13 HA LEU 13 -4.430 -3.921 3.204 106 1HB LEU 13 2HB LEU 13 -2.691 -3.824 1.219 107 2HB LEU 13 1HB LEU 13 -2.890 -2.082 1.403 108 HG LEU 13 HG LEU 13 -2.189 -3.978 3.668 109 1HD1 LEU 13 1HD1 LEU 13 0.068 -3.260 3.465 110 2HD1 LEU 13 2HD1 LEU 13 -0.362 -1.960 2.354 111 3HD1 LEU 13 3HD1 LEU 13 -0.437 -3.639 1.818 112 1HD2 LEU 13 1HD2 LEU 13 -3.146 -2.128 4.715 113 2HD2 LEU 13 2HD2 LEU 13 -2.656 -1.021 3.432 114 3HD2 LEU 13 3HD2 LEU 13 -1.468 -1.602 4.596 115 H ALA 14 H ALA 14 -4.749 -1.180 0.931 116 HA ALA 14 HA ALA 14 -5.016 0.846 2.811 117 1HB ALA 14 1HB ALA 14 -4.701 1.302 0.433 118 2HB ALA 14 2HB ALA 14 -6.148 2.126 1.015 119 3HB ALA 14 3HB ALA 14 -6.296 0.640 0.074 120 H ALA 15 H ALA 15 -7.581 -1.047 1.234 121 HA ALA 15 HA ALA 15 -9.769 0.179 2.507 122 1HB ALA 15 1HB ALA 15 -11.064 -1.684 1.731 123 2HB ALA 15 2HB ALA 15 -9.630 -2.703 1.602 124 3HB ALA 15 3HB ALA 15 -9.850 -1.343 0.498 125 H LYS 16 H LYS 16 -7.843 -2.648 3.433 126 HA LYS 16 HA LYS 16 -9.388 -3.419 5.668 127 1HB LYS 16 2HB LYS 16 -7.562 -4.770 4.510 128 2HB LYS 16 1HB LYS 16 -6.400 -3.796 5.409 129 1HG LYS 16 2HG LYS 16 -6.644 -5.416 6.996 130 2HG LYS 16 1HG LYS 16 -8.109 -4.526 7.411 131 1HD LYS 16 2HD LYS 16 -8.992 -6.654 7.125 132 2HD LYS 16 1HD LYS 16 -9.166 -6.022 5.488 133 1HE LYS 16 2HE LYS 16 -7.015 -7.067 4.857 134 2HE LYS 16 1HE LYS 16 -6.851 -7.707 6.492 135 1HZ LYS 16 1HZ LYS 16 -8.257 -9.352 6.047 136 2HZ LYS 16 2HZ LYS 16 -8.096 -8.939 4.407 137 3HZ LYS 16 3HZ LYS 16 -9.388 -8.319 5.318 138 H ALA 17 H ALA 17 -6.283 -1.673 5.570 139 HA ALA 17 HA ALA 17 -6.220 -0.936 8.268 140 1HB ALA 17 1HB ALA 17 -5.110 0.837 6.106 141 2HB ALA 17 2HB ALA 17 -4.390 -0.741 6.426 142 3HB ALA 17 3HB ALA 17 -4.442 0.479 7.698 143 H LYS 18 H LYS 18 -8.079 0.288 5.612 144 HA LYS 18 HA LYS 18 -8.670 2.836 6.880 145 1HB LYS 18 2HB LYS 18 -9.536 1.454 4.367 146 2HB LYS 18 1HB LYS 18 -10.509 2.783 4.990 147 1HG LYS 18 2HG LYS 18 -7.540 3.154 4.807 148 2HG LYS 18 1HG LYS 18 -8.495 3.251 3.328 149 1HD LYS 18 2HD LYS 18 -9.969 4.938 4.448 150 2HD LYS 18 1HD LYS 18 -8.885 4.907 5.839 151 1HE LYS 18 2HE LYS 18 -7.004 5.447 4.158 152 2HE LYS 18 1HE LYS 18 -8.298 5.858 3.033 153 1HZ LYS 18 1HZ LYS 18 -7.626 7.127 5.611 154 2HZ LYS 18 2HZ LYS 18 -9.170 7.297 4.929 155 3HZ LYS 18 3HZ LYS 18 -7.804 7.853 4.086 156 H ALA 19 H ALA 19 -10.401 -0.212 6.293 157 HA ALA 19 HA ALA 19 -12.790 0.650 7.631 158 1HB ALA 19 1HB ALA 19 -12.006 -2.212 7.100 159 2HB ALA 19 2HB ALA 19 -12.574 -1.144 5.814 160 3HB ALA 19 3HB ALA 19 -13.625 -1.514 7.183 161 H GLY 20 H GLY 20 -9.773 -0.536 8.743 162 1HA GLY 20 2HA GLY 20 -10.956 -1.510 11.262 163 2HA GLY 20 1HA GLY 20 -9.302 -1.787 10.728 164 H VAL 21 H VAL 21 -7.868 0.109 10.644 165 HA VAL 21 HA VAL 21 -8.456 2.583 11.883 166 HB VAL 21 HB VAL 21 -6.814 2.025 13.898 167 1HG1 VAL 21 1HG1 VAL 21 -9.499 0.947 14.485 168 2HG1 VAL 21 2HG1 VAL 21 -9.498 2.518 13.685 169 3HG1 VAL 21 3HG1 VAL 21 -8.645 2.305 15.213 170 1HG2 VAL 21 1HG2 VAL 21 -6.594 -0.376 13.049 171 2HG2 VAL 21 2HG2 VAL 21 -8.255 -0.620 13.586 172 3HG2 VAL 21 3HG2 VAL 21 -7.004 -0.198 14.754 173 H ILE 22 H ILE 22 -7.279 3.247 10.049 174 HA ILE 22 HA ILE 22 -4.660 2.312 9.451 175 HB ILE 22 HB ILE 22 -6.270 3.437 7.854 176 1HG1 ILE 22 2HG1 ILE 22 -3.650 4.906 7.824 177 2HG1 ILE 22 1HG1 ILE 22 -3.648 3.149 7.671 178 1HG2 ILE 22 1HG2 ILE 22 -6.414 5.826 7.819 179 2HG2 ILE 22 2HG2 ILE 22 -5.168 5.986 9.059 180 3HG2 ILE 22 3HG2 ILE 22 -6.753 5.335 9.480 181 1HD1 ILE 22 1HD1 ILE 22 -3.736 4.293 5.459 182 2HD1 ILE 22 2HD1 ILE 22 -5.271 5.025 5.926 183 3HD1 ILE 22 3HD1 ILE 22 -5.146 3.274 5.747 184 H THR 23 H THR 23 -2.696 3.620 9.492 185 HA THR 23 HA THR 23 -2.567 5.709 11.547 186 HB THR 23 HB THR 23 -0.496 3.568 11.725 187 HG1 THR 23 HG1 THR 23 -2.943 3.318 13.097 188 1HG2 THR 23 1HG2 THR 23 -0.339 4.290 13.966 189 2HG2 THR 23 2HG2 THR 23 -1.957 4.993 13.944 190 3HG2 THR 23 3HG2 THR 23 -0.643 5.775 13.064 191 H GLU 24 H GLU 24 -0.655 6.989 11.417 192 HA GLU 24 HA GLU 24 0.265 7.627 8.884 193 1HB GLU 24 2HB GLU 24 1.751 7.964 11.505 194 2HB GLU 24 1HB GLU 24 2.093 8.832 10.007 195 1HG GLU 24 2HG GLU 24 -0.430 9.511 10.118 196 2HG GLU 24 1HG GLU 24 -0.300 9.066 11.819 197 H GLU 25 H GLU 25 1.428 5.219 11.144 198 HA GLU 25 HA GLU 25 3.919 4.618 9.983 199 1HB GLU 25 2HB GLU 25 1.957 2.965 11.578 200 2HB GLU 25 1HB GLU 25 3.510 2.326 11.044 201 1HG GLU 25 2HG GLU 25 4.702 4.066 12.248 202 2HG GLU 25 1HG GLU 25 3.188 4.861 12.674 203 H GLU 26 H GLU 26 0.772 2.987 9.549 204 HA GLU 26 HA GLU 26 1.618 1.253 7.491 205 1HB GLU 26 2HB GLU 26 -1.052 2.236 8.446 206 2HB GLU 26 1HB GLU 26 -0.948 1.287 6.964 207 1HG GLU 26 2HG GLU 26 -1.282 -0.332 8.653 208 2HG GLU 26 1HG GLU 26 0.454 -0.381 8.355 209 H LYS 27 H LYS 27 0.172 4.486 7.420 210 HA LYS 27 HA LYS 27 -0.335 4.745 4.700 211 1HB LYS 27 2HB LYS 27 0.364 6.658 6.891 212 2HB LYS 27 1HB LYS 27 0.375 7.245 5.229 213 1HG LYS 27 2HG LYS 27 -1.912 6.680 4.901 214 2HG LYS 27 1HG LYS 27 -1.957 5.693 6.361 215 1HD LYS 27 2HD LYS 27 -1.762 7.642 7.773 216 2HD LYS 27 1HD LYS 27 -1.460 8.683 6.381 217 1HE LYS 27 2HE LYS 27 -4.021 7.127 6.859 218 2HE LYS 27 1HE LYS 27 -3.812 8.849 7.176 219 1HZ LYS 27 1HZ LYS 27 -4.793 8.611 5.042 220 2HZ LYS 27 2HZ LYS 27 -3.637 7.466 4.556 221 3HZ LYS 27 3HZ LYS 27 -3.183 9.086 4.795 222 H ALA 28 H ALA 28 2.675 5.327 6.483 223 HA ALA 28 HA ALA 28 4.225 6.224 4.303 224 1HB ALA 28 1HB ALA 28 6.170 5.503 5.733 225 2HB ALA 28 2HB ALA 28 5.004 4.837 6.876 226 3HB ALA 28 3HB ALA 28 5.024 6.570 6.544 227 H GLU 29 H GLU 29 3.637 2.982 5.623 228 HA GLU 29 HA GLU 29 5.464 1.541 4.071 229 1HB GLU 29 2HB GLU 29 4.282 0.520 5.941 230 2HB GLU 29 1HB GLU 29 2.745 0.685 5.095 231 1HG GLU 29 2HG GLU 29 3.373 -0.898 3.427 232 2HG GLU 29 1HG GLU 29 5.068 -0.845 3.909 233 H GLN 30 H GLN 30 1.980 2.079 3.399 234 HA GLN 30 HA GLN 30 1.843 0.845 0.923 235 1HB GLN 30 2HB GLN 30 0.391 3.435 1.390 236 2HB GLN 30 1HB GLN 30 -0.162 1.983 0.554 237 1HG GLN 30 2HG GLN 30 0.114 0.841 2.897 238 2HG GLN 30 1HG GLN 30 0.061 2.491 3.509 239 1HE2 GLN 30 1HE2 GLN 30 -2.034 1.150 4.423 240 2HE2 GLN 30 2HE2 GLN 30 -3.450 1.440 3.535 241 H GLN 31 H GLN 31 2.825 4.179 1.663 242 HA GLN 31 HA GLN 31 3.149 5.084 -0.975 243 1HB GLN 31 2HB GLN 31 3.195 6.481 1.141 244 2HB GLN 31 1HB GLN 31 4.857 5.934 1.372 245 1HG GLN 31 2HG GLN 31 5.616 7.009 -0.582 246 2HG GLN 31 1HG GLN 31 3.992 7.141 -1.251 247 1HE2 GLN 31 1HE2 GLN 31 5.515 9.470 -1.160 248 2HE2 GLN 31 2HE2 GLN 31 4.922 10.506 0.048 249 H LYS 32 H LYS 32 5.377 3.391 1.199 250 HA LYS 32 HA LYS 32 7.688 3.531 -0.409 251 1HB LYS 32 2HB LYS 32 7.437 2.745 2.038 252 2HB LYS 32 1HB LYS 32 7.028 1.174 1.348 253 1HG LYS 32 2HG LYS 32 9.153 1.146 0.110 254 2HG LYS 32 1HG LYS 32 9.564 2.732 0.764 255 1HD LYS 32 2HD LYS 32 9.245 1.643 3.088 256 2HD LYS 32 1HD LYS 32 9.332 0.104 2.229 257 1HE LYS 32 2HE LYS 32 11.564 0.649 2.975 258 2HE LYS 32 1HE LYS 32 11.516 0.876 1.227 259 1HZ LYS 32 1HZ LYS 32 11.253 3.218 1.524 260 2HZ LYS 32 2HZ LYS 32 12.594 2.719 2.440 261 3HZ LYS 32 3HZ LYS 32 11.113 3.053 3.205 262 H LEU 33 H LEU 33 5.301 0.894 -0.091 263 HA LEU 33 HA LEU 33 6.330 -0.823 -2.027 264 1HB LEU 33 2HB LEU 33 3.506 -0.327 -1.080 265 2HB LEU 33 1HB LEU 33 3.901 -1.595 -2.241 266 HG LEU 33 HG LEU 33 5.496 -1.422 0.292 267 1HD1 LEU 33 1HD1 LEU 33 2.709 -2.596 0.043 268 2HD1 LEU 33 2HD1 LEU 33 3.212 -1.288 1.116 269 3HD1 LEU 33 3HD1 LEU 33 3.811 -2.925 1.381 270 1HD2 LEU 33 1HD2 LEU 33 4.446 -3.786 -1.295 271 2HD2 LEU 33 2HD2 LEU 33 5.707 -3.805 -0.063 272 3HD2 LEU 33 3HD2 LEU 33 5.999 -3.012 -1.610 273 H ARG 34 H ARG 34 3.882 1.731 -2.392 274 HA ARG 34 HA ARG 34 3.454 1.414 -5.161 275 1HB ARG 34 2HB ARG 34 1.946 2.680 -3.669 276 2HB ARG 34 1HB ARG 34 3.190 3.915 -3.471 277 1HG ARG 34 2HG ARG 34 3.013 4.633 -5.705 278 2HG ARG 34 1HG ARG 34 2.244 3.132 -6.224 279 1HD ARG 34 2HD ARG 34 0.752 5.246 -5.943 280 2HD ARG 34 1HD ARG 34 0.171 3.718 -5.286 281 HE ARG 34 HE ARG 34 1.637 5.026 -3.275 282 1HH1 ARG 34 1HH2 ARG 34 -1.258 5.416 -5.140 283 2HH1 ARG 34 2HH2 ARG 34 -2.100 6.284 -3.901 284 1HH2 ARG 34 1HH1 ARG 34 0.542 6.164 -1.654 285 2HH2 ARG 34 2HH1 ARG 34 -1.082 6.706 -1.925 286 H GLN 35 H GLN 35 5.652 3.527 -3.344 287 HA GLN 35 HA GLN 35 6.729 4.937 -5.526 288 1HB GLN 35 2HB GLN 35 7.028 5.626 -3.186 289 2HB GLN 35 1HB GLN 35 8.031 4.206 -2.891 290 1HG GLN 35 2HG GLN 35 9.699 4.986 -4.474 291 2HG GLN 35 1HG GLN 35 8.664 6.328 -4.959 292 1HE2 GLN 35 1HE2 GLN 35 8.244 5.924 -1.645 293 2HE2 GLN 35 2HE2 GLN 35 9.387 7.054 -1.100 294 H GLU 36 H GLU 36 7.673 1.877 -4.015 295 HA GLU 36 HA GLU 36 10.050 1.476 -5.511 296 1HB GLU 36 2HB GLU 36 8.201 -0.370 -4.008 297 2HB GLU 36 1HB GLU 36 9.591 -0.989 -4.902 298 1HG GLU 36 2HG GLU 36 11.110 0.397 -3.608 299 2HG GLU 36 1HG GLU 36 9.761 1.189 -2.799 300 H TYR 37 H TYR 37 6.683 0.483 -6.018 301 HA TYR 37 HA TYR 37 6.999 -1.168 -8.231 302 1HB TYR 37 2HB TYR 37 4.862 -0.548 -6.875 303 2HB TYR 37 1HB TYR 37 4.691 0.750 -8.057 304 HD1 TYR 37 HD1 TYR 37 5.265 -2.950 -7.823 305 HD2 TYR 37 HD2 TYR 37 3.689 0.311 -10.140 306 HE1 TYR 37 HE1 TYR 37 4.328 -4.560 -9.458 307 HE2 TYR 37 HE2 TYR 37 2.753 -1.301 -11.771 308 HH TYR 37 HH TYR 37 2.658 -4.703 -11.149 309 H LEU 38 H LEU 38 6.599 2.376 -8.146 310 HA LEU 38 HA LEU 38 6.551 2.802 -10.922 311 1HB LEU 38 2HB LEU 38 7.711 4.656 -8.824 312 2HB LEU 38 1HB LEU 38 7.145 5.110 -10.429 313 HG LEU 38 HG LEU 38 5.454 3.991 -8.176 314 1HD1 LEU 38 1HD1 LEU 38 6.220 6.458 -8.184 315 2HD1 LEU 38 2HD1 LEU 38 4.491 6.148 -8.030 316 3HD1 LEU 38 3HD1 LEU 38 5.163 6.643 -9.584 317 1HD2 LEU 38 1HD2 LEU 38 4.909 4.480 -11.095 318 2HD2 LEU 38 2HD2 LEU 38 3.608 4.659 -9.919 319 3HD2 LEU 38 3HD2 LEU 38 4.431 3.109 -10.094 320 H LYS 39 H LYS 39 9.294 2.780 -8.649 321 HA LYS 39 HA LYS 39 11.294 3.340 -10.581 322 1HB LYS 39 2HB LYS 39 11.475 3.464 -8.021 323 2HB LYS 39 1HB LYS 39 11.730 1.719 -8.071 324 1HG LYS 39 2HG LYS 39 13.903 2.774 -8.092 325 2HG LYS 39 1HG LYS 39 13.614 2.121 -9.702 326 1HD LYS 39 2HD LYS 39 13.398 4.205 -10.663 327 2HD LYS 39 1HD LYS 39 12.726 4.925 -9.201 328 1HE LYS 39 2HE LYS 39 14.846 5.189 -8.206 329 2HE LYS 39 1HE LYS 39 15.596 4.005 -9.277 330 1HZ LYS 39 1HZ LYS 39 15.088 6.816 -9.702 331 2HZ LYS 39 2HZ LYS 39 14.666 5.826 -11.017 332 3HZ LYS 39 3HZ LYS 39 16.252 5.803 -10.409 333 H GLY 40 H GLY 40 9.677 0.413 -9.565 334 1HA GLY 40 2HA GLY 40 11.520 -1.334 -10.999 335 2HA GLY 40 1HA GLY 40 10.093 -1.831 -10.094 336 H PHE 41 H PHE 41 9.066 0.681 -11.898 337 HA PHE 41 HA PHE 41 8.768 -0.502 -14.503 338 1HB PHE 41 2HB PHE 41 6.387 -0.476 -12.622 339 2HB PHE 41 1HB PHE 41 6.263 -0.677 -14.366 340 HD1 PHE 41 HD1 PHE 41 7.711 -2.607 -15.414 341 HD2 PHE 41 HD2 PHE 41 6.650 -2.342 -11.258 342 HE1 PHE 41 HE1 PHE 41 8.130 -5.038 -15.154 343 HE2 PHE 41 HE2 PHE 41 7.071 -4.773 -10.998 344 HZ PHE 41 HZ PHE 41 7.809 -6.120 -12.945 345 H ARG 42 H ARG 42 9.731 1.710 -14.666 346 HA ARG 42 HA ARG 42 7.963 3.958 -14.175 347 1HB ARG 42 2HB ARG 42 10.557 3.914 -14.009 348 2HB ARG 42 1HB ARG 42 10.519 4.086 -15.763 349 1HG ARG 42 2HG ARG 42 9.054 6.100 -15.484 350 2HG ARG 42 1HG ARG 42 9.253 5.955 -13.738 351 1HD ARG 42 2HD ARG 42 11.808 5.970 -14.277 352 2HD ARG 42 1HD ARG 42 11.308 6.660 -15.819 353 HE ARG 42 HE ARG 42 10.008 8.226 -14.032 354 1HH1 ARG 42 1HH2 ARG 42 13.291 7.147 -14.314 355 2HH1 ARG 42 2HH2 ARG 42 13.958 8.547 -13.546 356 1HH2 ARG 42 1HH1 ARG 42 10.882 10.060 -13.029 357 2HH2 ARG 42 2HH1 ARG 42 12.595 10.194 -12.818 Start of MODEL 14 1 1H MET 1 1HT MET 1 5.375 -12.916 -14.521 2 2H MET 1 2HT MET 1 4.438 -12.135 -13.339 3 3H MET 1 3HT MET 1 5.970 -12.754 -12.941 4 HA MET 1 HA MET 1 7.100 -11.113 -14.106 5 1HB MET 1 2HB MET 1 5.439 -11.398 -16.081 6 2HB MET 1 1HB MET 1 4.510 -10.119 -15.299 7 1HG MET 1 2HG MET 1 5.930 -8.984 -16.827 8 2HG MET 1 1HG MET 1 6.709 -8.779 -15.259 9 1HE MET 1 1HE MET 1 9.911 -9.050 -17.118 10 2HE MET 1 2HE MET 1 8.736 -8.090 -16.225 11 3HE MET 1 3HE MET 1 8.504 -8.372 -17.948 12 H ILE 2 H ILE 2 3.732 -10.342 -13.203 13 HA ILE 2 HA ILE 2 4.729 -8.148 -11.500 14 HB ILE 2 HB ILE 2 2.992 -7.636 -13.238 15 1HG1 ILE 2 2HG1 ILE 2 1.757 -7.290 -10.511 16 2HG1 ILE 2 1HG1 ILE 2 3.283 -6.492 -10.893 17 1HG2 ILE 2 1HG2 ILE 2 1.079 -9.157 -11.461 18 2HG2 ILE 2 2HG2 ILE 2 1.841 -9.916 -12.858 19 3HG2 ILE 2 3HG2 ILE 2 0.794 -8.516 -13.078 20 1HD1 ILE 2 1HD1 ILE 2 0.803 -6.257 -12.618 21 2HD1 ILE 2 2HD1 ILE 2 2.290 -5.315 -12.747 22 3HD1 ILE 2 3HD1 ILE 2 1.225 -5.097 -11.358 23 H SER 3 H SER 3 3.577 -11.324 -11.384 24 HA SER 3 HA SER 3 3.237 -12.742 -9.605 25 1HB SER 3 2HB SER 3 3.397 -10.451 -7.667 26 2HB SER 3 1HB SER 3 3.846 -12.137 -7.434 27 HG SER 3 HG SER 3 5.675 -10.804 -7.732 28 H ASN 4 H ASN 4 1.570 -9.647 -9.631 29 HA ASN 4 HA ASN 4 -0.667 -9.150 -9.506 30 1HB ASN 4 2HB ASN 4 -0.780 -11.605 -10.533 31 2HB ASN 4 1HB ASN 4 -1.462 -11.971 -8.948 32 1HD2 ASN 4 1HD2 ASN 4 -1.806 -9.201 -11.254 33 2HD2 ASN 4 2HD2 ASN 4 -3.504 -9.205 -11.215 34 H ALA 5 H ALA 5 0.834 -11.221 -7.135 35 HA ALA 5 HA ALA 5 -1.054 -11.032 -5.057 36 1HB ALA 5 1HB ALA 5 0.757 -11.657 -3.578 37 2HB ALA 5 2HB ALA 5 1.957 -11.162 -4.771 38 3HB ALA 5 3HB ALA 5 0.930 -12.560 -5.083 39 H LYS 6 H LYS 6 1.047 -8.705 -6.442 40 HA LYS 6 HA LYS 6 1.347 -6.956 -4.207 41 1HB LYS 6 2HB LYS 6 1.517 -6.496 -7.194 42 2HB LYS 6 1HB LYS 6 1.878 -5.254 -5.996 43 1HG LYS 6 2HG LYS 6 3.681 -6.564 -5.070 44 2HG LYS 6 1HG LYS 6 3.240 -7.960 -6.054 45 1HD LYS 6 2HD LYS 6 3.791 -6.729 -8.100 46 2HD LYS 6 1HD LYS 6 4.165 -5.290 -7.153 47 1HE LYS 6 2HE LYS 6 6.278 -6.261 -7.528 48 2HE LYS 6 1HE LYS 6 5.859 -6.806 -5.904 49 1HZ LYS 6 1HZ LYS 6 4.947 -8.847 -6.956 50 2HZ LYS 6 2HZ LYS 6 6.628 -8.670 -7.126 51 3HZ LYS 6 3HZ LYS 6 5.599 -8.330 -8.435 52 H ILE 7 H ILE 7 -0.914 -7.097 -6.942 53 HA ILE 7 HA ILE 7 -2.391 -4.785 -6.407 54 HB ILE 7 HB ILE 7 -3.502 -7.385 -7.493 55 1HG1 ILE 7 2HG1 ILE 7 -1.506 -6.891 -8.760 56 2HG1 ILE 7 1HG1 ILE 7 -2.881 -6.373 -9.732 57 1HG2 ILE 7 1HG2 ILE 7 -4.269 -4.532 -8.160 58 2HG2 ILE 7 2HG2 ILE 7 -5.074 -5.464 -6.897 59 3HG2 ILE 7 3HG2 ILE 7 -5.136 -6.010 -8.573 60 1HD1 ILE 7 1HD1 ILE 7 -2.496 -4.058 -8.542 61 2HD1 ILE 7 2HD1 ILE 7 -1.468 -4.522 -9.897 62 3HD1 ILE 7 3HD1 ILE 7 -0.879 -4.697 -8.245 63 H ALA 8 H ALA 8 -3.157 -8.140 -5.463 64 HA ALA 8 HA ALA 8 -5.378 -7.599 -3.869 65 1HB ALA 8 1HB ALA 8 -4.953 -9.779 -2.829 66 2HB ALA 8 2HB ALA 8 -3.319 -9.787 -3.493 67 3HB ALA 8 3HB ALA 8 -4.711 -9.866 -4.574 68 H ARG 9 H ARG 9 -1.940 -7.489 -3.085 69 HA ARG 9 HA ARG 9 -2.148 -7.289 -0.286 70 1HB ARG 9 2HB ARG 9 -0.034 -7.696 -1.544 71 2HB ARG 9 1HB ARG 9 -0.055 -6.013 -2.065 72 1HG ARG 9 2HG ARG 9 0.180 -5.214 0.178 73 2HG ARG 9 1HG ARG 9 -0.148 -6.811 0.852 74 1HD ARG 9 2HD ARG 9 2.269 -6.042 -0.808 75 2HD ARG 9 1HD ARG 9 2.258 -6.341 0.928 76 HE ARG 9 HE ARG 9 1.215 -8.624 -0.290 77 1HH1 ARG 9 1HH2 ARG 9 4.155 -6.792 -0.256 78 2HH1 ARG 9 2HH2 ARG 9 5.171 -8.161 -0.558 79 1HH2 ARG 9 1HH1 ARG 9 2.542 -10.418 -0.687 80 2HH2 ARG 9 2HH1 ARG 9 4.258 -10.214 -0.803 81 H ILE 10 H ILE 10 -1.160 -4.557 -2.328 82 HA ILE 10 HA ILE 10 -1.811 -2.543 -0.538 83 HB ILE 10 HB ILE 10 -1.763 -2.481 -3.564 84 1HG1 ILE 10 2HG1 ILE 10 0.283 -1.539 -1.528 85 2HG1 ILE 10 1HG1 ILE 10 0.337 -3.129 -2.290 86 1HG2 ILE 10 1HG2 ILE 10 -1.367 0.010 -3.145 87 2HG2 ILE 10 2HG2 ILE 10 -1.946 -0.268 -1.503 88 3HG2 ILE 10 3HG2 ILE 10 -3.014 -0.557 -2.876 89 1HD1 ILE 10 1HD1 ILE 10 0.286 -0.527 -3.842 90 2HD1 ILE 10 2HD1 ILE 10 0.563 -2.145 -4.487 91 3HD1 ILE 10 3HD1 ILE 10 1.764 -1.398 -3.435 92 H ASN 11 H ASN 11 -3.868 -4.194 -2.872 93 HA ASN 11 HA ASN 11 -6.072 -2.459 -2.859 94 1HB ASN 11 2HB ASN 11 -5.963 -4.241 -4.467 95 2HB ASN 11 1HB ASN 11 -5.908 -5.460 -3.195 96 1HD2 ASN 11 1HD2 ASN 11 -7.883 -6.535 -3.716 97 2HD2 ASN 11 2HD2 ASN 11 -9.397 -5.774 -3.627 98 H GLU 12 H GLU 12 -5.643 -5.446 -0.941 99 HA GLU 12 HA GLU 12 -7.896 -5.098 0.695 100 1HB GLU 12 2HB GLU 12 -6.504 -7.196 0.431 101 2HB GLU 12 1HB GLU 12 -5.330 -6.461 1.523 102 1HG GLU 12 2HG GLU 12 -7.106 -6.210 3.240 103 2HG GLU 12 1HG GLU 12 -8.247 -7.002 2.154 104 H LEU 13 H LEU 13 -4.498 -4.187 1.248 105 HA LEU 13 HA LEU 13 -4.821 -3.126 3.831 106 1HB LEU 13 2HB LEU 13 -2.758 -3.195 1.804 107 2HB LEU 13 1HB LEU 13 -2.813 -1.610 2.574 108 HG LEU 13 HG LEU 13 -2.839 -4.172 4.180 109 1HD1 LEU 13 1HD1 LEU 13 -0.395 -3.785 4.513 110 2HD1 LEU 13 2HD1 LEU 13 -0.456 -2.519 3.287 111 3HD1 LEU 13 3HD1 LEU 13 -0.794 -4.192 2.843 112 1HD2 LEU 13 1HD2 LEU 13 -3.537 -1.879 5.136 113 2HD2 LEU 13 2HD2 LEU 13 -1.843 -1.422 4.956 114 3HD2 LEU 13 3HD2 LEU 13 -2.287 -2.760 6.016 115 H ALA 14 H ALA 14 -4.800 -1.454 0.678 116 HA ALA 14 HA ALA 14 -5.293 1.135 1.599 117 1HB ALA 14 1HB ALA 14 -6.140 -0.196 -0.984 118 2HB ALA 14 2HB ALA 14 -4.671 0.738 -0.706 119 3HB ALA 14 3HB ALA 14 -6.242 1.538 -0.681 120 H ALA 15 H ALA 15 -7.510 -1.531 0.967 121 HA ALA 15 HA ALA 15 -9.937 -0.109 1.130 122 1HB ALA 15 1HB ALA 15 -10.993 -2.226 1.384 123 2HB ALA 15 2HB ALA 15 -9.535 -2.954 2.058 124 3HB ALA 15 3HB ALA 15 -9.591 -2.509 0.352 125 H LYS 16 H LYS 16 -7.921 -1.607 3.612 126 HA LYS 16 HA LYS 16 -9.681 -1.266 5.799 127 1HB LYS 16 2HB LYS 16 -7.402 -2.603 5.556 128 2HB LYS 16 1HB LYS 16 -6.720 -1.106 6.190 129 1HG LYS 16 2HG LYS 16 -7.189 -2.163 8.186 130 2HG LYS 16 1HG LYS 16 -8.738 -1.361 7.927 131 1HD LYS 16 2HD LYS 16 -9.519 -3.457 6.741 132 2HD LYS 16 1HD LYS 16 -8.032 -4.237 7.280 133 1HE LYS 16 2HE LYS 16 -10.258 -3.115 9.000 134 2HE LYS 16 1HE LYS 16 -9.710 -4.788 8.903 135 1HZ LYS 16 1HZ LYS 16 -8.332 -2.469 10.106 136 2HZ LYS 16 2HZ LYS 16 -7.482 -3.873 9.670 137 3HZ LYS 16 3HZ LYS 16 -8.725 -3.954 10.825 138 H ALA 17 H ALA 17 -6.866 0.633 4.760 139 HA ALA 17 HA ALA 17 -7.125 2.751 6.571 140 1HB ALA 17 1HB ALA 17 -5.177 2.260 4.993 141 2HB ALA 17 2HB ALA 17 -5.633 3.956 5.156 142 3HB ALA 17 3HB ALA 17 -6.131 3.042 3.732 143 H LYS 18 H LYS 18 -8.823 1.949 3.653 144 HA LYS 18 HA LYS 18 -10.086 4.572 3.412 145 1HB LYS 18 2HB LYS 18 -10.219 1.985 1.893 146 2HB LYS 18 1HB LYS 18 -11.507 3.174 1.698 147 1HG LYS 18 2HG LYS 18 -9.888 4.881 1.044 148 2HG LYS 18 1HG LYS 18 -8.553 3.766 1.336 149 1HD LYS 18 2HD LYS 18 -9.284 2.314 -0.455 150 2HD LYS 18 1HD LYS 18 -10.767 3.246 -0.668 151 1HE LYS 18 2HE LYS 18 -9.265 3.969 -2.393 152 2HE LYS 18 1HE LYS 18 -9.290 5.254 -1.187 153 1HZ LYS 18 1HZ LYS 18 -7.320 3.208 -0.697 154 2HZ LYS 18 2HZ LYS 18 -7.167 4.900 -0.648 155 3HZ LYS 18 3HZ LYS 18 -7.063 4.075 -2.130 156 H ALA 19 H ALA 19 -10.690 1.426 4.750 157 HA ALA 19 HA ALA 19 -13.499 1.779 5.205 158 1HB ALA 19 1HB ALA 19 -13.324 -0.266 6.531 159 2HB ALA 19 2HB ALA 19 -11.564 -0.162 6.494 160 3HB ALA 19 3HB ALA 19 -12.460 -0.460 5.006 161 H GLY 20 H GLY 20 -10.987 1.215 7.687 162 1HA GLY 20 2HA GLY 20 -12.454 3.077 9.446 163 2HA GLY 20 1HA GLY 20 -11.337 1.826 9.977 164 H VAL 21 H VAL 21 -9.049 2.119 9.423 165 HA VAL 21 HA VAL 21 -7.728 4.247 8.397 166 HB VAL 21 HB VAL 21 -8.847 5.877 9.727 167 1HG1 VAL 21 1HG1 VAL 21 -8.829 3.740 11.726 168 2HG1 VAL 21 2HG1 VAL 21 -9.912 5.120 11.573 169 3HG1 VAL 21 3HG1 VAL 21 -8.371 5.299 12.409 170 1HG2 VAL 21 1HG2 VAL 21 -6.420 5.458 11.439 171 2HG2 VAL 21 2HG2 VAL 21 -7.034 6.942 10.712 172 3HG2 VAL 21 3HG2 VAL 21 -6.200 5.753 9.714 173 H ILE 22 H ILE 22 -6.139 2.737 8.121 174 HA ILE 22 HA ILE 22 -5.129 0.980 10.064 175 HB ILE 22 HB ILE 22 -3.160 0.764 8.599 176 1HG1 ILE 22 2HG1 ILE 22 -4.392 3.006 6.966 177 2HG1 ILE 22 1HG1 ILE 22 -3.046 3.247 8.076 178 1HG2 ILE 22 1HG2 ILE 22 -4.325 -0.073 6.679 179 2HG2 ILE 22 2HG2 ILE 22 -5.667 1.044 6.926 180 3HG2 ILE 22 3HG2 ILE 22 -5.409 -0.286 8.054 181 1HD1 ILE 22 1HD1 ILE 22 -3.045 1.318 5.736 182 2HD1 ILE 22 2HD1 ILE 22 -1.695 1.620 6.829 183 3HD1 ILE 22 3HD1 ILE 22 -2.260 2.897 5.752 184 H THR 23 H THR 23 -2.443 1.269 10.300 185 HA THR 23 HA THR 23 -2.239 3.550 12.135 186 HB THR 23 HB THR 23 -0.309 1.249 11.753 187 HG1 THR 23 HG1 THR 23 -1.389 0.303 13.454 188 1HG2 THR 23 1HG2 THR 23 -0.621 3.488 13.738 189 2HG2 THR 23 2HG2 THR 23 0.838 2.919 12.927 190 3HG2 THR 23 3HG2 THR 23 0.127 1.968 14.231 191 H GLU 24 H GLU 24 -0.590 5.066 12.036 192 HA GLU 24 HA GLU 24 0.194 6.038 9.563 193 1HB GLU 24 2HB GLU 24 0.289 7.190 11.857 194 2HB GLU 24 1HB GLU 24 1.856 6.408 12.055 195 1HG GLU 24 2HG GLU 24 2.150 8.663 11.134 196 2HG GLU 24 1HG GLU 24 2.634 7.455 9.946 197 H GLU 25 H GLU 25 1.937 3.862 11.751 198 HA GLU 25 HA GLU 25 4.371 3.716 10.365 199 1HB GLU 25 2HB GLU 25 3.768 2.762 12.672 200 2HB GLU 25 1HB GLU 25 3.114 1.377 11.797 201 1HG GLU 25 2HG GLU 25 5.353 1.190 10.623 202 2HG GLU 25 1HG GLU 25 5.964 2.399 11.751 203 H GLU 26 H GLU 26 1.488 1.624 10.130 204 HA GLU 26 HA GLU 26 2.460 -0.018 8.048 205 1HB GLU 26 2HB GLU 26 0.426 -0.435 9.530 206 2HB GLU 26 1HB GLU 26 -0.442 0.700 8.499 207 1HG GLU 26 2HG GLU 26 -0.916 -1.373 7.502 208 2HG GLU 26 1HG GLU 26 0.420 -0.766 6.530 209 H LYS 27 H LYS 27 0.603 2.995 8.050 210 HA LYS 27 HA LYS 27 0.074 3.207 5.309 211 1HB LYS 27 2HB LYS 27 -0.747 4.707 7.229 212 2HB LYS 27 1HB LYS 27 0.783 5.563 7.057 213 1HG LYS 27 2HG LYS 27 0.290 6.244 4.842 214 2HG LYS 27 1HG LYS 27 -1.008 5.063 4.679 215 1HD LYS 27 2HD LYS 27 -1.205 7.156 6.822 216 2HD LYS 27 1HD LYS 27 -1.583 7.594 5.156 217 1HE LYS 27 2HE LYS 27 -3.150 5.601 5.091 218 2HE LYS 27 1HE LYS 27 -2.897 5.438 6.828 219 1HZ LYS 27 1HZ LYS 27 -3.918 7.449 7.254 220 2HZ LYS 27 2HZ LYS 27 -4.867 6.827 5.989 221 3HZ LYS 27 3HZ LYS 27 -3.704 8.025 5.673 222 H ALA 28 H ALA 28 2.926 4.065 7.207 223 HA ALA 28 HA ALA 28 4.391 5.400 5.211 224 1HB ALA 28 1HB ALA 28 4.841 4.929 7.814 225 2HB ALA 28 2HB ALA 28 6.139 5.344 6.696 226 3HB ALA 28 3HB ALA 28 5.857 3.659 7.133 227 H GLU 29 H GLU 29 4.146 1.971 6.068 228 HA GLU 29 HA GLU 29 6.092 0.949 4.328 229 1HB GLU 29 2HB GLU 29 4.518 -0.188 6.156 230 2HB GLU 29 1HB GLU 29 3.562 -0.585 4.730 231 1HG GLU 29 2HG GLU 29 6.506 -1.213 5.105 232 2HG GLU 29 1HG GLU 29 5.188 -2.374 5.234 233 H GLN 30 H GLN 30 2.595 1.415 3.809 234 HA GLN 30 HA GLN 30 2.365 0.490 1.211 235 1HB GLN 30 2HB GLN 30 0.960 2.862 2.465 236 2HB GLN 30 1HB GLN 30 0.449 2.039 0.991 237 1HG GLN 30 2HG GLN 30 0.853 0.035 2.975 238 2HG GLN 30 1HG GLN 30 -0.100 1.319 3.716 239 1HE2 GLN 30 1HE2 GLN 30 -2.268 1.642 2.958 240 2HE2 GLN 30 2HE2 GLN 30 -2.997 0.626 1.811 241 H GLN 31 H GLN 31 3.508 3.642 2.346 242 HA GLN 31 HA GLN 31 3.622 5.001 -0.096 243 1HB GLN 31 2HB GLN 31 4.018 6.031 2.142 244 2HB GLN 31 1HB GLN 31 5.592 5.237 2.193 245 1HG GLN 31 2HG GLN 31 6.451 6.531 0.437 246 2HG GLN 31 1HG GLN 31 4.848 6.950 -0.166 247 1HE2 GLN 31 1HE2 GLN 31 6.143 7.188 3.188 248 2HE2 GLN 31 2HE2 GLN 31 5.881 8.859 3.325 249 H LYS 32 H LYS 32 5.953 2.799 1.410 250 HA LYS 32 HA LYS 32 8.062 3.113 -0.421 251 1HB LYS 32 2HB LYS 32 8.233 1.916 1.756 252 2HB LYS 32 1HB LYS 32 7.278 0.599 1.077 253 1HG LYS 32 2HG LYS 32 8.965 -0.011 -0.445 254 2HG LYS 32 1HG LYS 32 9.776 1.551 -0.312 255 1HD LYS 32 2HD LYS 32 10.614 1.049 1.863 256 2HD LYS 32 1HD LYS 32 9.542 -0.341 2.036 257 1HE LYS 32 2HE LYS 32 10.882 -1.704 0.775 258 2HE LYS 32 1HE LYS 32 11.374 -0.396 -0.301 259 1HZ LYS 32 1HZ LYS 32 13.285 -0.758 0.872 260 2HZ LYS 32 2HZ LYS 32 12.476 -1.173 2.307 261 3HZ LYS 32 3HZ LYS 32 12.576 0.452 1.824 262 H LEU 33 H LEU 33 5.534 0.596 -0.324 263 HA LEU 33 HA LEU 33 6.179 -0.689 -2.721 264 1HB LEU 33 2HB LEU 33 3.407 -0.335 -1.555 265 2HB LEU 33 1HB LEU 33 3.933 -1.607 -2.658 266 HG LEU 33 HG LEU 33 5.145 -1.159 0.086 267 1HD1 LEU 33 1HD1 LEU 33 3.835 -3.333 0.572 268 2HD1 LEU 33 2HD1 LEU 33 2.868 -2.911 -0.841 269 3HD1 LEU 33 3HD1 LEU 33 2.924 -1.823 0.547 270 1HD2 LEU 33 1HD2 LEU 33 6.696 -2.367 -1.215 271 2HD2 LEU 33 2HD2 LEU 33 5.431 -3.234 -2.086 272 3HD2 LEU 33 3HD2 LEU 33 5.783 -3.640 -0.406 273 H ARG 34 H ARG 34 3.743 1.850 -2.153 274 HA ARG 34 HA ARG 34 2.806 2.189 -4.734 275 1HB ARG 34 2HB ARG 34 2.030 3.314 -2.568 276 2HB ARG 34 1HB ARG 34 3.301 4.499 -2.858 277 1HG ARG 34 2HG ARG 34 2.274 4.732 -5.224 278 2HG ARG 34 1HG ARG 34 0.871 3.907 -4.547 279 1HD ARG 34 2HD ARG 34 1.994 6.604 -3.856 280 2HD ARG 34 1HD ARG 34 0.323 6.144 -4.172 281 HE ARG 34 HE ARG 34 0.950 4.776 -1.887 282 1HH1 ARG 34 1HH2 ARG 34 1.153 8.082 -2.909 283 2HH1 ARG 34 2HH2 ARG 34 0.926 8.728 -1.319 284 1HH2 ARG 34 1HH1 ARG 34 0.658 5.622 0.196 285 2HH2 ARG 34 2HH1 ARG 34 0.647 7.337 0.437 286 H GLN 35 H GLN 35 5.554 3.852 -3.189 287 HA GLN 35 HA GLN 35 6.302 5.414 -5.412 288 1HB GLN 35 2HB GLN 35 7.078 5.758 -3.058 289 2HB GLN 35 1HB GLN 35 8.115 4.343 -3.237 290 1HG GLN 35 2HG GLN 35 9.377 5.392 -4.998 291 2HG GLN 35 1HG GLN 35 8.232 6.727 -5.101 292 1HE2 GLN 35 1HE2 GLN 35 10.017 8.250 -4.626 293 2HE2 GLN 35 2HE2 GLN 35 10.606 8.408 -3.042 294 H GLU 36 H GLU 36 7.173 2.138 -4.430 295 HA GLU 36 HA GLU 36 9.255 1.730 -6.304 296 1HB GLU 36 2HB GLU 36 8.738 0.305 -4.273 297 2HB GLU 36 1HB GLU 36 7.406 -0.390 -5.195 298 1HG GLU 36 2HG GLU 36 9.215 -1.881 -5.549 299 2HG GLU 36 1HG GLU 36 9.142 -0.909 -7.014 300 H TYR 37 H TYR 37 5.764 1.132 -6.441 301 HA TYR 37 HA TYR 37 5.589 -0.247 -8.841 302 1HB TYR 37 2HB TYR 37 3.636 0.038 -7.469 303 2HB TYR 37 1HB TYR 37 3.712 1.791 -7.630 304 HD1 TYR 37 HD1 TYR 37 2.257 2.760 -9.155 305 HD2 TYR 37 HD2 TYR 37 3.686 -1.227 -9.876 306 HE1 TYR 37 HE1 TYR 37 0.881 2.638 -11.214 307 HE2 TYR 37 HE2 TYR 37 2.306 -1.350 -11.932 308 HH TYR 37 HH TYR 37 0.710 1.443 -13.242 309 H LEU 38 H LEU 38 5.717 3.271 -8.313 310 HA LEU 38 HA LEU 38 5.375 4.079 -10.983 311 1HB LEU 38 2HB LEU 38 6.531 5.293 -8.520 312 2HB LEU 38 1HB LEU 38 6.977 6.033 -10.057 313 HG LEU 38 HG LEU 38 4.926 7.045 -9.040 314 1HD1 LEU 38 1HD1 LEU 38 3.935 5.663 -11.488 315 2HD1 LEU 38 2HD1 LEU 38 5.432 6.582 -11.639 316 3HD1 LEU 38 3HD1 LEU 38 3.957 7.383 -11.096 317 1HD2 LEU 38 1HD2 LEU 38 4.195 4.708 -8.149 318 2HD2 LEU 38 2HD2 LEU 38 3.491 4.492 -9.752 319 3HD2 LEU 38 3HD2 LEU 38 2.946 5.814 -8.721 320 H LYS 39 H LYS 39 8.259 3.106 -9.189 321 HA LYS 39 HA LYS 39 10.170 3.764 -11.174 322 1HB LYS 39 2HB LYS 39 10.518 3.133 -8.680 323 2HB LYS 39 1HB LYS 39 10.486 1.466 -9.253 324 1HG LYS 39 2HG LYS 39 12.754 1.907 -9.434 325 2HG LYS 39 1HG LYS 39 12.218 2.400 -11.039 326 1HD LYS 39 2HD LYS 39 12.033 4.740 -10.249 327 2HD LYS 39 1HD LYS 39 12.604 4.239 -8.658 328 1HE LYS 39 2HE LYS 39 14.649 3.269 -9.931 329 2HE LYS 39 1HE LYS 39 14.117 4.290 -11.266 330 1HZ LYS 39 1HZ LYS 39 14.034 5.836 -8.960 331 2HZ LYS 39 2HZ LYS 39 15.096 5.989 -10.276 332 3HZ LYS 39 3HZ LYS 39 15.524 5.026 -8.944 333 H GLY 40 H GLY 40 7.980 1.105 -10.755 334 1HA GLY 40 2HA GLY 40 9.300 -0.658 -12.634 335 2HA GLY 40 1HA GLY 40 7.734 -0.916 -11.875 336 H PHE 41 H PHE 41 7.818 2.172 -13.169 337 HA PHE 41 HA PHE 41 7.238 1.603 -15.924 338 1HB PHE 41 2HB PHE 41 4.977 1.945 -13.966 339 2HB PHE 41 1HB PHE 41 4.803 2.512 -15.624 340 HD1 PHE 41 HD1 PHE 41 5.746 0.714 -17.437 341 HD2 PHE 41 HD2 PHE 41 4.227 -0.206 -13.525 342 HE1 PHE 41 HE1 PHE 41 5.251 -1.601 -18.173 343 HE2 PHE 41 HE2 PHE 41 3.734 -2.522 -14.262 344 HZ PHE 41 HZ PHE 41 4.246 -3.219 -16.586 345 H ARG 42 H ARG 42 8.683 3.295 -16.280 346 HA ARG 42 HA ARG 42 9.414 5.460 -16.522 347 1HB ARG 42 2HB ARG 42 6.424 5.671 -16.769 348 2HB ARG 42 1HB ARG 42 7.429 7.115 -16.859 349 1HG ARG 42 2HG ARG 42 7.127 6.316 -19.112 350 2HG ARG 42 1HG ARG 42 8.789 5.955 -18.647 351 1HD ARG 42 2HD ARG 42 7.529 4.063 -19.804 352 2HD ARG 42 1HD ARG 42 8.291 3.652 -18.273 353 HE ARG 42 HE ARG 42 6.171 3.374 -17.336 354 1HH1 ARG 42 1HH2 ARG 42 5.986 4.912 -20.441 355 2HH1 ARG 42 2HH2 ARG 42 4.264 4.770 -20.556 356 1HH2 ARG 42 1HH1 ARG 42 3.914 3.192 -17.491 357 2HH2 ARG 42 2HH1 ARG 42 3.094 3.799 -18.891 Start of MODEL 15 1 1H MET 1 1HT MET 1 7.254 -3.004 -10.563 2 2H MET 1 2HT MET 1 8.479 -2.488 -11.620 3 3H MET 1 3HT MET 1 8.687 -3.900 -10.700 4 HA MET 1 HA MET 1 6.745 -3.491 -12.903 5 1HB MET 1 2HB MET 1 9.127 -5.352 -12.633 6 2HB MET 1 1HB MET 1 8.067 -5.220 -14.034 7 1HG MET 1 2HG MET 1 9.865 -3.854 -14.650 8 2HG MET 1 1HG MET 1 8.731 -2.685 -13.972 9 1HE MET 1 1HE MET 1 12.195 -1.328 -12.901 10 2HE MET 1 2HE MET 1 10.835 -1.216 -14.014 11 3HE MET 1 3HE MET 1 12.080 -2.434 -14.275 12 H ILE 2 H ILE 2 6.819 -4.534 -9.872 13 HA ILE 2 HA ILE 2 6.034 -7.260 -10.019 14 HB ILE 2 HB ILE 2 6.876 -6.089 -7.960 15 1HG1 ILE 2 2HG1 ILE 2 4.962 -7.101 -6.469 16 2HG1 ILE 2 1HG1 ILE 2 4.319 -7.679 -8.005 17 1HG2 ILE 2 1HG2 ILE 2 4.052 -5.017 -7.747 18 2HG2 ILE 2 2HG2 ILE 2 5.397 -4.051 -8.353 19 3HG2 ILE 2 3HG2 ILE 2 5.428 -4.662 -6.700 20 1HD1 ILE 2 1HD1 ILE 2 7.030 -8.285 -6.801 21 2HD1 ILE 2 2HD1 ILE 2 6.613 -8.666 -8.472 22 3HD1 ILE 2 3HD1 ILE 2 5.731 -9.426 -7.147 23 H SER 3 H SER 3 4.071 -8.198 -10.300 24 HA SER 3 HA SER 3 1.614 -6.681 -10.151 25 1HB SER 3 2HB SER 3 0.955 -6.957 -12.467 26 2HB SER 3 1HB SER 3 2.488 -6.093 -12.412 27 HG SER 3 HG SER 3 3.401 -8.339 -12.608 28 H ASN 4 H ASN 4 1.580 -8.453 -8.504 29 HA ASN 4 HA ASN 4 0.124 -10.729 -9.602 30 1HB ASN 4 2HB ASN 4 1.481 -12.418 -8.557 31 2HB ASN 4 1HB ASN 4 2.544 -11.417 -9.544 32 1HD2 ASN 4 1HD2 ASN 4 2.922 -9.184 -7.861 33 2HD2 ASN 4 2HD2 ASN 4 3.709 -9.684 -6.442 34 H ALA 5 H ALA 5 0.521 -12.139 -6.987 35 HA ALA 5 HA ALA 5 -1.766 -11.323 -5.643 36 1HB ALA 5 1HB ALA 5 -0.799 -12.596 -3.687 37 2HB ALA 5 2HB ALA 5 0.674 -12.795 -4.637 38 3HB ALA 5 3HB ALA 5 -0.844 -13.491 -5.205 39 H LYS 6 H LYS 6 1.353 -9.873 -5.628 40 HA LYS 6 HA LYS 6 1.284 -8.642 -3.064 41 1HB LYS 6 2HB LYS 6 2.706 -7.781 -5.597 42 2HB LYS 6 1HB LYS 6 3.028 -7.150 -3.980 43 1HG LYS 6 2HG LYS 6 3.129 -10.118 -4.442 44 2HG LYS 6 1HG LYS 6 4.498 -9.120 -4.933 45 1HD LYS 6 2HD LYS 6 4.683 -8.215 -2.658 46 2HD LYS 6 1HD LYS 6 3.287 -9.168 -2.151 47 1HE LYS 6 2HE LYS 6 5.560 -10.610 -3.453 48 2HE LYS 6 1HE LYS 6 5.776 -10.062 -1.791 49 1HZ LYS 6 1HZ LYS 6 4.818 -12.081 -1.441 50 2HZ LYS 6 2HZ LYS 6 3.905 -12.039 -2.873 51 3HZ LYS 6 3HZ LYS 6 3.418 -11.129 -1.524 52 H ILE 7 H ILE 7 0.242 -7.605 -6.289 53 HA ILE 7 HA ILE 7 -0.463 -4.960 -5.730 54 HB ILE 7 HB ILE 7 -1.890 -6.879 -7.592 55 1HG1 ILE 7 2HG1 ILE 7 0.495 -6.874 -8.082 56 2HG1 ILE 7 1HG1 ILE 7 -0.328 -5.914 -9.309 57 1HG2 ILE 7 1HG2 ILE 7 -2.331 -4.722 -8.850 58 2HG2 ILE 7 2HG2 ILE 7 -1.737 -3.857 -7.433 59 3HG2 ILE 7 3HG2 ILE 7 -3.177 -4.866 -7.310 60 1HD1 ILE 7 1HD1 ILE 7 1.479 -4.538 -8.731 61 2HD1 ILE 7 2HD1 ILE 7 1.401 -4.983 -7.026 62 3HD1 ILE 7 3HD1 ILE 7 0.190 -3.900 -7.712 63 H ALA 8 H ALA 8 -2.486 -7.889 -5.570 64 HA ALA 8 HA ALA 8 -4.829 -6.650 -4.653 65 1HB ALA 8 1HB ALA 8 -3.946 -9.448 -3.920 66 2HB ALA 8 2HB ALA 8 -4.567 -9.026 -5.516 67 3HB ALA 8 3HB ALA 8 -5.593 -8.843 -4.095 68 H ARG 9 H ARG 9 -2.006 -7.854 -2.895 69 HA ARG 9 HA ARG 9 -3.079 -7.691 -0.292 70 1HB ARG 9 2HB ARG 9 -0.911 -8.803 -0.942 71 2HB ARG 9 1HB ARG 9 -0.195 -7.197 -1.061 72 1HG ARG 9 2HG ARG 9 -1.685 -7.766 1.451 73 2HG ARG 9 1HG ARG 9 -0.180 -8.660 1.227 74 1HD ARG 9 2HD ARG 9 -0.507 -5.648 1.117 75 2HD ARG 9 1HD ARG 9 0.280 -6.563 2.398 76 HE ARG 9 HE ARG 9 1.355 -6.018 -0.271 77 1HH1 ARG 9 1HH2 ARG 9 1.582 -7.710 2.746 78 2HH1 ARG 9 2HH2 ARG 9 3.266 -8.067 2.568 79 1HH2 ARG 9 1HH1 ARG 9 3.555 -6.491 -0.504 80 2HH2 ARG 9 2HH1 ARG 9 4.379 -7.393 0.724 81 H ILE 10 H ILE 10 -1.064 -5.358 -2.073 82 HA ILE 10 HA ILE 10 -1.035 -3.317 -0.185 83 HB ILE 10 HB ILE 10 -1.006 -3.109 -3.202 84 1HG1 ILE 10 2HG1 ILE 10 1.367 -2.936 -1.351 85 2HG1 ILE 10 1HG1 ILE 10 0.760 -4.511 -1.863 86 1HG2 ILE 10 1HG2 ILE 10 -0.383 -1.132 -0.997 87 2HG2 ILE 10 2HG2 ILE 10 -1.475 -0.924 -2.366 88 3HG2 ILE 10 3HG2 ILE 10 0.268 -0.954 -2.627 89 1HD1 ILE 10 1HD1 ILE 10 2.527 -3.742 -3.389 90 2HD1 ILE 10 2HD1 ILE 10 1.622 -2.262 -3.705 91 3HD1 ILE 10 3HD1 ILE 10 0.979 -3.817 -4.231 92 H ASN 11 H ASN 11 -3.180 -3.444 -3.055 93 HA ASN 11 HA ASN 11 -4.764 -1.257 -2.344 94 1HB ASN 11 2HB ASN 11 -5.945 -1.728 -4.225 95 2HB ASN 11 1HB ASN 11 -4.608 -2.828 -4.528 96 1HD2 ASN 11 1HD2 ASN 11 -5.014 -5.092 -3.310 97 2HD2 ASN 11 2HD2 ASN 11 -6.575 -5.727 -3.520 98 H GLU 12 H GLU 12 -4.966 -4.597 -1.280 99 HA GLU 12 HA GLU 12 -7.609 -4.593 -0.314 100 1HB GLU 12 2HB GLU 12 -5.161 -6.197 0.215 101 2HB GLU 12 1HB GLU 12 -6.437 -6.265 1.430 102 1HG GLU 12 2HG GLU 12 -8.014 -7.127 -0.087 103 2HG GLU 12 1HG GLU 12 -7.096 -6.590 -1.490 104 H LEU 13 H LEU 13 -4.660 -4.314 1.680 105 HA LEU 13 HA LEU 13 -5.990 -3.363 3.970 106 1HB LEU 13 2HB LEU 13 -3.864 -3.027 4.909 107 2HB LEU 13 1HB LEU 13 -3.622 -4.343 3.765 108 HG LEU 13 HG LEU 13 -3.138 -2.201 2.148 109 1HD1 LEU 13 1HD1 LEU 13 -3.387 -0.858 4.433 110 2HD1 LEU 13 2HD1 LEU 13 -2.159 -0.411 3.251 111 3HD1 LEU 13 3HD1 LEU 13 -1.720 -1.381 4.655 112 1HD2 LEU 13 1HD2 LEU 13 -1.701 -4.211 2.509 113 2HD2 LEU 13 2HD2 LEU 13 -1.102 -3.480 4.000 114 3HD2 LEU 13 3HD2 LEU 13 -0.766 -2.717 2.446 115 H ALA 14 H ALA 14 -4.882 -1.719 1.110 116 HA ALA 14 HA ALA 14 -4.613 0.898 2.035 117 1HB ALA 14 1HB ALA 14 -5.124 1.594 -0.273 118 2HB ALA 14 2HB ALA 14 -5.695 -0.033 -0.632 119 3HB ALA 14 3HB ALA 14 -3.998 0.237 -0.239 120 H ALA 15 H ALA 15 -7.494 -0.224 0.238 121 HA ALA 15 HA ALA 15 -9.134 1.906 1.083 122 1HB ALA 15 1HB ALA 15 -9.906 0.832 -0.828 123 2HB ALA 15 2HB ALA 15 -11.007 0.215 0.404 124 3HB ALA 15 3HB ALA 15 -9.659 -0.777 -0.149 125 H LYS 16 H LYS 16 -8.623 -1.308 2.446 126 HA LYS 16 HA LYS 16 -10.755 -1.313 4.292 127 1HB LYS 16 2HB LYS 16 -8.128 -2.751 4.101 128 2HB LYS 16 1HB LYS 16 -9.086 -2.881 5.579 129 1HG LYS 16 2HG LYS 16 -10.931 -3.835 4.437 130 2HG LYS 16 1HG LYS 16 -10.307 -3.351 2.857 131 1HD LYS 16 2HD LYS 16 -8.555 -4.971 2.939 132 2HD LYS 16 1HD LYS 16 -8.821 -5.276 4.656 133 1HE LYS 16 2HE LYS 16 -9.785 -6.939 2.832 134 2HE LYS 16 1HE LYS 16 -10.715 -6.561 4.278 135 1HZ LYS 16 1HZ LYS 16 -12.187 -6.282 2.504 136 2HZ LYS 16 2HZ LYS 16 -11.040 -5.469 1.548 137 3HZ LYS 16 3HZ LYS 16 -11.715 -4.703 2.905 138 H ALA 17 H ALA 17 -7.298 -0.692 4.914 139 HA ALA 17 HA ALA 17 -7.620 0.307 7.515 140 1HB ALA 17 1HB ALA 17 -5.459 1.187 5.596 141 2HB ALA 17 2HB ALA 17 -5.453 -0.398 6.372 142 3HB ALA 17 3HB ALA 17 -5.368 1.064 7.353 143 H LYS 18 H LYS 18 -8.370 1.691 4.466 144 HA LYS 18 HA LYS 18 -8.090 4.449 5.187 145 1HB LYS 18 2HB LYS 18 -8.382 3.349 2.821 146 2HB LYS 18 1HB LYS 18 -10.102 3.515 3.166 147 1HG LYS 18 2HG LYS 18 -9.672 5.564 2.157 148 2HG LYS 18 1HG LYS 18 -9.410 5.973 3.852 149 1HD LYS 18 2HD LYS 18 -7.447 6.805 2.961 150 2HD LYS 18 1HD LYS 18 -6.934 5.152 3.296 151 1HE LYS 18 2HE LYS 18 -6.265 5.344 1.084 152 2HE LYS 18 1HE LYS 18 -7.897 4.715 0.858 153 1HZ LYS 18 1HZ LYS 18 -7.534 7.614 1.062 154 2HZ LYS 18 2HZ LYS 18 -8.684 6.727 0.184 155 3HZ LYS 18 3HZ LYS 18 -7.089 6.852 -0.386 156 H ALA 19 H ALA 19 -11.083 2.603 4.589 157 HA ALA 19 HA ALA 19 -12.650 4.430 6.171 158 1HB ALA 19 1HB ALA 19 -13.217 1.869 4.694 159 2HB ALA 19 2HB ALA 19 -13.842 3.489 4.382 160 3HB ALA 19 3HB ALA 19 -14.422 2.573 5.773 161 H GLY 20 H GLY 20 -10.574 1.959 6.973 162 1HA GLY 20 2HA GLY 20 -12.117 1.085 9.325 163 2HA GLY 20 1HA GLY 20 -10.667 0.310 8.694 164 H VAL 21 H VAL 21 -8.634 1.567 8.844 165 HA VAL 21 HA VAL 21 -8.376 3.806 10.564 166 HB VAL 21 HB VAL 21 -8.922 2.400 12.402 167 1HG1 VAL 21 1HG1 VAL 21 -8.604 0.260 11.020 168 2HG1 VAL 21 2HG1 VAL 21 -8.143 0.173 12.720 169 3HG1 VAL 21 3HG1 VAL 21 -6.903 0.344 11.480 170 1HG2 VAL 21 1HG2 VAL 21 -6.638 3.717 12.399 171 2HG2 VAL 21 2HG2 VAL 21 -5.930 2.102 12.418 172 3HG2 VAL 21 3HG2 VAL 21 -7.006 2.608 13.720 173 H ILE 22 H ILE 22 -6.910 4.623 9.151 174 HA ILE 22 HA ILE 22 -4.684 3.001 8.219 175 HB ILE 22 HB ILE 22 -5.738 4.577 6.662 176 1HG1 ILE 22 2HG1 ILE 22 -3.644 5.830 5.995 177 2HG1 ILE 22 1HG1 ILE 22 -2.898 5.258 7.486 178 1HG2 ILE 22 1HG2 ILE 22 -5.855 6.892 7.009 179 2HG2 ILE 22 2HG2 ILE 22 -4.607 6.869 8.253 180 3HG2 ILE 22 3HG2 ILE 22 -6.220 6.253 8.610 181 1HD1 ILE 22 1HD1 ILE 22 -4.189 3.127 5.921 182 2HD1 ILE 22 2HD1 ILE 22 -2.588 3.167 6.659 183 3HD1 ILE 22 3HD1 ILE 22 -2.852 3.911 5.082 184 H THR 23 H THR 23 -2.911 2.741 9.362 185 HA THR 23 HA THR 23 -2.157 4.778 11.367 186 HB THR 23 HB THR 23 -1.147 1.933 11.199 187 HG1 THR 23 HG1 THR 23 -3.310 2.983 12.699 188 1HG2 THR 23 1HG2 THR 23 0.271 3.168 12.610 189 2HG2 THR 23 2HG2 THR 23 -0.898 2.473 13.733 190 3HG2 THR 23 3HG2 THR 23 -1.054 4.155 13.229 191 H GLU 24 H GLU 24 -0.086 5.600 11.416 192 HA GLU 24 HA GLU 24 1.267 6.101 9.067 193 1HB GLU 24 2HB GLU 24 2.622 5.878 11.762 194 2HB GLU 24 1HB GLU 24 3.099 6.892 10.401 195 1HG GLU 24 2HG GLU 24 0.608 7.176 12.105 196 2HG GLU 24 1HG GLU 24 1.962 8.298 12.005 197 H GLU 25 H GLU 25 1.507 3.327 11.176 198 HA GLU 25 HA GLU 25 3.925 2.222 10.265 199 1HB GLU 25 2HB GLU 25 2.519 1.493 12.262 200 2HB GLU 25 1HB GLU 25 1.492 0.641 11.110 201 1HG GLU 25 2HG GLU 25 3.001 -1.032 11.712 202 2HG GLU 25 1HG GLU 25 3.757 -0.381 10.259 203 H GLU 26 H GLU 26 0.631 1.145 9.362 204 HA GLU 26 HA GLU 26 1.511 -0.307 7.082 205 1HB GLU 26 2HB GLU 26 -1.271 0.799 7.501 206 2HB GLU 26 1HB GLU 26 -0.798 -0.618 6.567 207 1HG GLU 26 2HG GLU 26 0.253 -1.211 9.035 208 2HG GLU 26 1HG GLU 26 -1.214 -0.338 9.473 209 H LYS 27 H LYS 27 0.219 2.963 7.532 210 HA LYS 27 HA LYS 27 -0.134 3.709 4.869 211 1HB LYS 27 2HB LYS 27 -0.568 5.023 7.107 212 2HB LYS 27 1HB LYS 27 1.056 5.650 6.824 213 1HG LYS 27 2HG LYS 27 0.306 6.272 4.485 214 2HG LYS 27 1HG LYS 27 -1.335 5.850 4.974 215 1HD LYS 27 2HD LYS 27 -1.019 7.475 6.928 216 2HD LYS 27 1HD LYS 27 0.427 8.040 6.088 217 1HE LYS 27 2HE LYS 27 -1.227 9.505 5.297 218 2HE LYS 27 1HE LYS 27 -1.159 8.284 4.028 219 1HZ LYS 27 1HZ LYS 27 -3.199 7.557 4.514 220 2HZ LYS 27 2HZ LYS 27 -3.393 9.035 5.329 221 3HZ LYS 27 3HZ LYS 27 -2.952 7.640 6.191 222 H ALA 28 H ALA 28 2.789 3.734 6.871 223 HA ALA 28 HA ALA 28 4.522 4.901 4.955 224 1HB ALA 28 1HB ALA 28 5.156 4.793 7.299 225 2HB ALA 28 2HB ALA 28 6.332 3.881 6.351 226 3HB ALA 28 3HB ALA 28 5.090 3.032 7.272 227 H GLU 29 H GLU 29 3.567 1.574 5.663 228 HA GLU 29 HA GLU 29 5.373 0.205 4.018 229 1HB GLU 29 2HB GLU 29 3.762 -0.793 5.707 230 2HB GLU 29 1HB GLU 29 2.499 -0.608 4.491 231 1HG GLU 29 2HG GLU 29 3.181 -2.746 3.971 232 2HG GLU 29 1HG GLU 29 4.306 -1.845 2.959 233 H GLN 30 H GLN 30 1.935 0.737 3.217 234 HA GLN 30 HA GLN 30 2.067 0.144 0.523 235 1HB GLN 30 2HB GLN 30 0.166 2.046 0.446 236 2HB GLN 30 1HB GLN 30 -0.121 0.442 1.115 237 1HG GLN 30 2HG GLN 30 -0.085 1.192 3.301 238 2HG GLN 30 1HG GLN 30 0.996 2.533 2.933 239 1HE2 GLN 30 1HE2 GLN 30 -2.398 1.449 2.564 240 2HE2 GLN 30 2HE2 GLN 30 -3.041 3.014 2.417 241 H GLN 31 H GLN 31 2.755 3.235 2.122 242 HA GLN 31 HA GLN 31 3.051 4.847 -0.149 243 1HB GLN 31 2HB GLN 31 3.011 5.854 2.037 244 2HB GLN 31 1HB GLN 31 4.432 4.945 2.542 245 1HG GLN 31 2HG GLN 31 5.005 7.283 1.959 246 2HG GLN 31 1HG GLN 31 5.810 6.134 0.894 247 1HE2 GLN 31 1HE2 GLN 31 3.063 8.421 1.059 248 2HE2 GLN 31 2HE2 GLN 31 2.905 8.596 -0.622 249 H LYS 32 H LYS 32 5.396 2.768 1.518 250 HA LYS 32 HA LYS 32 7.659 3.420 -0.022 251 1HB LYS 32 2HB LYS 32 7.689 2.119 2.116 252 2HB LYS 32 1HB LYS 32 7.022 0.742 1.240 253 1HG LYS 32 2HG LYS 32 8.997 0.902 -0.334 254 2HG LYS 32 1HG LYS 32 9.690 2.098 0.762 255 1HD LYS 32 2HD LYS 32 10.658 0.164 1.603 256 2HD LYS 32 1HD LYS 32 9.193 0.232 2.583 257 1HE LYS 32 2HE LYS 32 8.060 -1.271 0.959 258 2HE LYS 32 1HE LYS 32 9.560 -1.377 0.036 259 1HZ LYS 32 1HZ LYS 32 8.799 -2.792 2.367 260 2HZ LYS 32 2HZ LYS 32 10.230 -1.925 2.656 261 3HZ LYS 32 3HZ LYS 32 10.147 -3.029 1.367 262 H LEU 33 H LEU 33 5.634 0.482 -0.290 263 HA LEU 33 HA LEU 33 6.655 -0.432 -2.719 264 1HB LEU 33 2HB LEU 33 3.812 -0.745 -1.721 265 2HB LEU 33 1HB LEU 33 4.625 -1.769 -2.904 266 HG LEU 33 HG LEU 33 5.470 -1.412 -0.010 267 1HD1 LEU 33 1HD1 LEU 33 4.193 -3.751 -1.461 268 2HD1 LEU 33 2HD1 LEU 33 3.414 -2.738 -0.246 269 3HD1 LEU 33 3HD1 LEU 33 4.765 -3.778 0.206 270 1HD2 LEU 33 1HD2 LEU 33 7.457 -1.876 -1.190 271 2HD2 LEU 33 2HD2 LEU 33 6.631 -2.908 -2.358 272 3HD2 LEU 33 3HD2 LEU 33 6.902 -3.479 -0.712 273 H ARG 34 H ARG 34 4.031 1.841 -2.070 274 HA ARG 34 HA ARG 34 2.985 2.108 -4.650 275 1HB ARG 34 2HB ARG 34 1.831 3.061 -2.766 276 2HB ARG 34 1HB ARG 34 3.201 4.100 -2.383 277 1HG ARG 34 2HG ARG 34 2.754 5.565 -4.118 278 2HG ARG 34 1HG ARG 34 2.000 4.321 -5.115 279 1HD ARG 34 2HD ARG 34 -0.055 4.540 -4.082 280 2HD ARG 34 1HD ARG 34 0.650 5.028 -2.545 281 HE ARG 34 HE ARG 34 0.496 7.229 -3.246 282 1HH1 ARG 34 1HH2 ARG 34 0.292 5.078 -5.956 283 2HH1 ARG 34 2HH2 ARG 34 -0.070 6.331 -7.095 284 1HH2 ARG 34 1HH1 ARG 34 0.023 8.870 -4.740 285 2HH2 ARG 34 2HH1 ARG 34 -0.211 8.475 -6.410 286 H GLN 35 H GLN 35 5.553 3.999 -3.054 287 HA GLN 35 HA GLN 35 6.124 5.696 -5.221 288 1HB GLN 35 2HB GLN 35 6.946 6.185 -2.991 289 2HB GLN 35 1HB GLN 35 7.917 4.714 -2.989 290 1HG GLN 35 2HG GLN 35 9.325 5.551 -4.759 291 2HG GLN 35 1HG GLN 35 8.259 6.927 -5.029 292 1HE2 GLN 35 1HE2 GLN 35 8.822 8.817 -3.945 293 2HE2 GLN 35 2HE2 GLN 35 9.865 8.893 -2.608 294 H GLU 36 H GLU 36 7.524 2.556 -4.301 295 HA GLU 36 HA GLU 36 9.458 2.476 -6.374 296 1HB GLU 36 2HB GLU 36 9.659 1.043 -4.427 297 2HB GLU 36 1HB GLU 36 8.144 0.231 -4.829 298 1HG GLU 36 2HG GLU 36 9.058 -0.884 -6.652 299 2HG GLU 36 1HG GLU 36 10.321 0.320 -6.892 300 H TYR 37 H TYR 37 6.209 1.021 -6.115 301 HA TYR 37 HA TYR 37 6.098 -0.334 -8.522 302 1HB TYR 37 2HB TYR 37 4.312 -0.546 -6.921 303 2HB TYR 37 1HB TYR 37 3.924 1.169 -7.050 304 HD1 TYR 37 HD1 TYR 37 4.223 -1.910 -9.178 305 HD2 TYR 37 HD2 TYR 37 2.256 1.856 -8.538 306 HE1 TYR 37 HE1 TYR 37 2.675 -2.403 -11.051 307 HE2 TYR 37 HE2 TYR 37 0.709 1.366 -10.414 308 HH TYR 37 HH TYR 37 1.110 -1.543 -12.410 309 H LEU 38 H LEU 38 5.484 3.105 -7.906 310 HA LEU 38 HA LEU 38 4.567 3.827 -10.456 311 1HB LEU 38 2HB LEU 38 5.702 5.225 -8.112 312 2HB LEU 38 1HB LEU 38 5.926 6.060 -9.647 313 HG LEU 38 HG LEU 38 3.789 6.655 -8.443 314 1HD1 LEU 38 1HD1 LEU 38 4.248 6.546 -11.064 315 2HD1 LEU 38 2HD1 LEU 38 2.647 6.932 -10.438 316 3HD1 LEU 38 3HD1 LEU 38 3.006 5.297 -10.992 317 1HD2 LEU 38 1HD2 LEU 38 2.578 4.095 -9.368 318 2HD2 LEU 38 2HD2 LEU 38 2.172 5.092 -7.970 319 3HD2 LEU 38 3HD2 LEU 38 3.567 4.018 -7.911 320 H LYS 39 H LYS 39 7.854 3.563 -9.169 321 HA LYS 39 HA LYS 39 9.198 4.592 -11.448 322 1HB LYS 39 2HB LYS 39 10.114 2.673 -9.290 323 2HB LYS 39 1HB LYS 39 11.180 3.387 -10.499 324 1HG LYS 39 2HG LYS 39 9.426 5.240 -8.946 325 2HG LYS 39 1HG LYS 39 10.809 4.531 -8.110 326 1HD LYS 39 2HD LYS 39 12.363 5.537 -9.537 327 2HD LYS 39 1HD LYS 39 11.187 5.738 -10.838 328 1HE LYS 39 2HE LYS 39 11.689 7.901 -9.767 329 2HE LYS 39 1HE LYS 39 10.005 7.449 -9.511 330 1HZ LYS 39 1HZ LYS 39 12.104 6.758 -7.551 331 2HZ LYS 39 2HZ LYS 39 10.422 6.831 -7.322 332 3HZ LYS 39 3HZ LYS 39 11.321 8.262 -7.510 333 H GLY 40 H GLY 40 7.981 1.425 -10.573 334 1HA GLY 40 2HA GLY 40 9.155 0.188 -12.962 335 2HA GLY 40 1HA GLY 40 8.330 -0.652 -11.653 336 H PHE 41 H PHE 41 6.559 2.056 -12.435 337 HA PHE 41 HA PHE 41 5.167 1.258 -14.774 338 1HB PHE 41 2HB PHE 41 4.509 -0.531 -13.002 339 2HB PHE 41 1HB PHE 41 3.545 0.754 -12.288 340 HD1 PHE 41 HD1 PHE 41 4.172 -1.027 -15.517 341 HD2 PHE 41 HD2 PHE 41 1.431 1.303 -13.166 342 HE1 PHE 41 HE1 PHE 41 2.394 -1.409 -17.205 343 HE2 PHE 41 HE2 PHE 41 -0.342 0.922 -14.856 344 HZ PHE 41 HZ PHE 41 0.137 -0.433 -16.875 345 H ARG 42 H ARG 42 5.659 3.565 -14.928 346 HA ARG 42 HA ARG 42 4.371 5.445 -13.180 347 1HB ARG 42 2HB ARG 42 6.434 6.000 -14.432 348 2HB ARG 42 1HB ARG 42 5.540 5.858 -15.944 349 1HG ARG 42 2HG ARG 42 5.604 8.198 -15.373 350 2HG ARG 42 1HG ARG 42 3.959 7.632 -15.081 351 1HD ARG 42 2HD ARG 42 4.098 8.135 -12.890 352 2HD ARG 42 1HD ARG 42 5.610 7.247 -12.723 353 HE ARG 42 HE ARG 42 5.313 10.104 -13.123 354 1HH1 ARG 42 1HH2 ARG 42 7.366 7.325 -13.394 355 2HH1 ARG 42 2HH2 ARG 42 8.836 8.237 -13.353 356 1HH2 ARG 42 1HH1 ARG 42 7.244 11.300 -13.074 357 2HH2 ARG 42 2HH1 ARG 42 8.768 10.481 -13.173 Start of MODEL 16 1 1H MET 1 1HT MET 1 5.919 -13.740 -14.345 2 2H MET 1 2HT MET 1 5.251 -14.994 -15.276 3 3H MET 1 3HT MET 1 4.839 -14.840 -13.635 4 HA MET 1 HA MET 1 4.284 -12.639 -15.511 5 1HB MET 1 2HB MET 1 1.984 -13.649 -15.769 6 2HB MET 1 1HB MET 1 3.260 -14.548 -16.589 7 1HG MET 1 2HG MET 1 3.254 -16.267 -14.991 8 2HG MET 1 1HG MET 1 2.471 -15.262 -13.770 9 1HE MET 1 1HE MET 1 1.787 -18.270 -14.821 10 2HE MET 1 2HE MET 1 0.030 -18.247 -14.685 11 3HE MET 1 3HE MET 1 1.016 -17.516 -13.420 12 H ILE 2 H ILE 2 2.095 -11.682 -14.697 13 HA ILE 2 HA ILE 2 2.367 -11.333 -11.794 14 HB ILE 2 HB ILE 2 0.803 -9.733 -13.835 15 1HG1 ILE 2 2HG1 ILE 2 3.301 -8.916 -12.334 16 2HG1 ILE 2 1HG1 ILE 2 3.380 -9.703 -13.910 17 1HG2 ILE 2 1HG2 ILE 2 0.994 -8.081 -11.764 18 2HG2 ILE 2 2HG2 ILE 2 1.115 -9.588 -10.857 19 3HG2 ILE 2 3HG2 ILE 2 -0.306 -9.267 -11.850 20 1HD1 ILE 2 1HD1 ILE 2 3.368 -7.110 -13.854 21 2HD1 ILE 2 2HD1 ILE 2 1.651 -7.268 -13.482 22 3HD1 ILE 2 3HD1 ILE 2 2.290 -7.914 -14.994 23 H SER 3 H SER 3 1.160 -12.641 -10.597 24 HA SER 3 HA SER 3 -1.359 -13.717 -11.582 25 1HB SER 3 2HB SER 3 0.135 -15.193 -10.336 26 2HB SER 3 1HB SER 3 0.117 -14.094 -8.961 27 HG SER 3 HG SER 3 -2.380 -14.795 -9.836 28 H ASN 4 H ASN 4 -0.898 -10.797 -10.930 29 HA ASN 4 HA ASN 4 -2.064 -9.047 -10.020 30 1HB ASN 4 2HB ASN 4 -4.195 -11.184 -9.768 31 2HB ASN 4 1HB ASN 4 -4.472 -9.465 -9.497 32 1HD2 ASN 4 1HD2 ASN 4 -2.146 -10.163 -11.984 33 2HD2 ASN 4 2HD2 ASN 4 -3.173 -9.877 -13.305 34 H ALA 5 H ALA 5 -0.472 -10.959 -8.322 35 HA ALA 5 HA ALA 5 -1.764 -10.987 -5.745 36 1HB ALA 5 1HB ALA 5 0.774 -11.537 -5.125 37 2HB ALA 5 2HB ALA 5 0.859 -11.852 -6.859 38 3HB ALA 5 3HB ALA 5 -0.290 -12.739 -5.856 39 H LYS 6 H LYS 6 0.473 -8.899 -7.457 40 HA LYS 6 HA LYS 6 1.369 -7.415 -5.192 41 1HB LYS 6 2HB LYS 6 2.370 -7.544 -7.590 42 2HB LYS 6 1HB LYS 6 1.211 -6.269 -7.966 43 1HG LYS 6 2HG LYS 6 2.135 -4.826 -6.263 44 2HG LYS 6 1HG LYS 6 3.164 -6.122 -5.655 45 1HD LYS 6 2HD LYS 6 4.314 -6.191 -7.876 46 2HD LYS 6 1HD LYS 6 3.353 -4.801 -8.378 47 1HE LYS 6 2HE LYS 6 5.612 -4.147 -7.542 48 2HE LYS 6 1HE LYS 6 4.310 -3.444 -6.584 49 1HZ LYS 6 1HZ LYS 6 4.999 -4.523 -4.790 50 2HZ LYS 6 2HZ LYS 6 6.394 -4.966 -5.651 51 3HZ LYS 6 3HZ LYS 6 5.054 -6.009 -5.603 52 H ILE 7 H ILE 7 -0.964 -6.573 -7.771 53 HA ILE 7 HA ILE 7 -1.899 -4.187 -6.671 54 HB ILE 7 HB ILE 7 -3.268 -6.256 -8.403 55 1HG1 ILE 7 2HG1 ILE 7 -2.271 -3.461 -9.047 56 2HG1 ILE 7 1HG1 ILE 7 -1.297 -4.913 -9.278 57 1HG2 ILE 7 1HG2 ILE 7 -4.874 -4.294 -8.863 58 2HG2 ILE 7 2HG2 ILE 7 -4.257 -3.590 -7.369 59 3HG2 ILE 7 3HG2 ILE 7 -5.082 -5.148 -7.334 60 1HD1 ILE 7 1HD1 ILE 7 -2.435 -4.284 -11.374 61 2HD1 ILE 7 2HD1 ILE 7 -3.996 -4.379 -10.559 62 3HD1 ILE 7 3HD1 ILE 7 -3.028 -5.837 -10.783 63 H ALA 8 H ALA 8 -3.100 -7.504 -6.218 64 HA ALA 8 HA ALA 8 -5.283 -6.964 -4.575 65 1HB ALA 8 1HB ALA 8 -4.876 -9.281 -3.662 66 2HB ALA 8 2HB ALA 8 -3.384 -9.319 -4.601 67 3HB ALA 8 3HB ALA 8 -4.938 -9.190 -5.422 68 H ARG 9 H ARG 9 -1.868 -7.436 -3.711 69 HA ARG 9 HA ARG 9 -2.181 -7.254 -0.910 70 1HB ARG 9 2HB ARG 9 -0.112 -7.955 -2.348 71 2HB ARG 9 1HB ARG 9 0.268 -6.234 -2.327 72 1HG ARG 9 2HG ARG 9 -0.116 -6.434 0.253 73 2HG ARG 9 1HG ARG 9 0.116 -8.161 -0.020 74 1HD ARG 9 2HD ARG 9 2.249 -7.455 -1.316 75 2HD ARG 9 1HD ARG 9 2.057 -5.906 -0.502 76 HE ARG 9 HE ARG 9 2.820 -6.908 1.439 77 1HH1 ARG 9 1HH2 ARG 9 1.694 -9.314 -0.790 78 2HH1 ARG 9 2HH2 ARG 9 2.235 -10.650 0.169 79 1HH2 ARG 9 1HH1 ARG 9 3.530 -8.655 2.696 80 2HH2 ARG 9 2HH1 ARG 9 3.260 -10.276 2.151 81 H ILE 10 H ILE 10 -1.402 -4.802 -3.356 82 HA ILE 10 HA ILE 10 -1.078 -2.598 -1.683 83 HB ILE 10 HB ILE 10 -2.035 -2.809 -4.536 84 1HG1 ILE 10 2HG1 ILE 10 0.577 -1.806 -3.357 85 2HG1 ILE 10 1HG1 ILE 10 0.333 -3.464 -3.903 86 1HG2 ILE 10 1HG2 ILE 10 -1.294 -0.283 -4.468 87 2HG2 ILE 10 2HG2 ILE 10 -1.660 -0.419 -2.748 88 3HG2 ILE 10 3HG2 ILE 10 -2.919 -0.723 -3.944 89 1HD1 ILE 10 1HD1 ILE 10 -0.526 -2.199 -6.105 90 2HD1 ILE 10 2HD1 ILE 10 1.179 -2.570 -5.851 91 3HD1 ILE 10 3HD1 ILE 10 0.568 -0.954 -5.502 92 H ASN 11 H ASN 11 -4.046 -3.315 -3.576 93 HA ASN 11 HA ASN 11 -5.618 -1.366 -2.322 94 1HB ASN 11 2HB ASN 11 -7.577 -2.727 -3.155 95 2HB ASN 11 1HB ASN 11 -6.402 -2.261 -4.379 96 1HD2 ASN 11 1HD2 ASN 11 -6.850 -5.014 -2.070 97 2HD2 ASN 11 2HD2 ASN 11 -6.454 -6.208 -3.208 98 H GLU 12 H GLU 12 -4.808 -4.614 -1.288 99 HA GLU 12 HA GLU 12 -6.875 -5.012 0.586 100 1HB GLU 12 2HB GLU 12 -5.312 -6.795 -0.105 101 2HB GLU 12 1HB GLU 12 -3.999 -5.966 0.730 102 1HG GLU 12 2HG GLU 12 -5.150 -6.219 2.871 103 2HG GLU 12 1HG GLU 12 -6.543 -6.937 2.069 104 H LEU 13 H LEU 13 -3.639 -3.594 0.963 105 HA LEU 13 HA LEU 13 -3.843 -2.932 3.692 106 1HB LEU 13 2HB LEU 13 -2.124 -2.129 1.408 107 2HB LEU 13 1HB LEU 13 -2.181 -1.014 2.774 108 HG LEU 13 HG LEU 13 -1.815 -3.944 3.312 109 1HD1 LEU 13 1HD1 LEU 13 -0.131 -3.622 1.646 110 2HD1 LEU 13 2HD1 LEU 13 0.695 -3.467 3.196 111 3HD1 LEU 13 3HD1 LEU 13 0.282 -2.023 2.270 112 1HD2 LEU 13 1HD2 LEU 13 -0.512 -3.016 5.211 113 2HD2 LEU 13 2HD2 LEU 13 -2.151 -2.365 5.172 114 3HD2 LEU 13 3HD2 LEU 13 -0.799 -1.387 4.600 115 H ALA 14 H ALA 14 -4.377 -0.927 0.795 116 HA ALA 14 HA ALA 14 -5.184 1.413 2.094 117 1HB ALA 14 1HB ALA 14 -4.645 1.363 -0.285 118 2HB ALA 14 2HB ALA 14 -6.276 1.994 -0.051 119 3HB ALA 14 3HB ALA 14 -6.040 0.333 -0.600 120 H ALA 15 H ALA 15 -7.016 -1.473 1.203 121 HA ALA 15 HA ALA 15 -9.614 -0.493 1.632 122 1HB ALA 15 1HB ALA 15 -8.609 -3.297 2.164 123 2HB ALA 15 2HB ALA 15 -9.086 -2.685 0.581 124 3HB ALA 15 3HB ALA 15 -10.280 -2.818 1.872 125 H LYS 16 H LYS 16 -7.260 -1.913 3.859 126 HA LYS 16 HA LYS 16 -8.904 -1.999 6.153 127 1HB LYS 16 2HB LYS 16 -5.989 -2.103 5.598 128 2HB LYS 16 1HB LYS 16 -6.451 -1.606 7.226 129 1HG LYS 16 2HG LYS 16 -7.950 -3.634 7.334 130 2HG LYS 16 1HG LYS 16 -7.252 -4.161 5.803 131 1HD LYS 16 2HD LYS 16 -5.720 -3.646 8.371 132 2HD LYS 16 1HD LYS 16 -6.088 -5.231 7.689 133 1HE LYS 16 2HE LYS 16 -4.252 -3.102 6.579 134 2HE LYS 16 1HE LYS 16 -3.860 -4.768 6.997 135 1HZ LYS 16 1HZ LYS 16 -4.062 -4.663 4.658 136 2HZ LYS 16 2HZ LYS 16 -5.534 -3.821 4.743 137 3HZ LYS 16 3HZ LYS 16 -5.454 -5.448 5.223 138 H ALA 17 H ALA 17 -6.541 0.411 5.035 139 HA ALA 17 HA ALA 17 -6.993 2.336 7.034 140 1HB ALA 17 1HB ALA 17 -5.979 2.473 4.202 141 2HB ALA 17 2HB ALA 17 -5.096 2.727 5.708 142 3HB ALA 17 3HB ALA 17 -6.232 3.949 5.134 143 H LYS 18 H LYS 18 -8.949 1.254 4.449 144 HA LYS 18 HA LYS 18 -10.545 3.704 4.302 145 1HB LYS 18 2HB LYS 18 -9.969 1.855 2.425 146 2HB LYS 18 1HB LYS 18 -11.488 1.190 3.022 147 1HG LYS 18 2HG LYS 18 -11.118 4.067 2.134 148 2HG LYS 18 1HG LYS 18 -11.790 2.791 1.119 149 1HD LYS 18 2HD LYS 18 -13.506 2.400 2.972 150 2HD LYS 18 1HD LYS 18 -12.937 3.909 3.685 151 1HE LYS 18 2HE LYS 18 -13.515 5.134 1.656 152 2HE LYS 18 1HE LYS 18 -13.987 3.636 0.855 153 1HZ LYS 18 1HZ LYS 18 -15.802 5.064 1.919 154 2HZ LYS 18 2HZ LYS 18 -15.237 4.455 3.400 155 3HZ LYS 18 3HZ LYS 18 -15.833 3.395 2.215 156 H ALA 19 H ALA 19 -10.967 0.309 5.281 157 HA ALA 19 HA ALA 19 -13.616 0.678 6.282 158 1HB ALA 19 1HB ALA 19 -12.699 -1.515 5.541 159 2HB ALA 19 2HB ALA 19 -13.383 -1.570 7.165 160 3HB ALA 19 3HB ALA 19 -11.633 -1.509 6.944 161 H GLY 20 H GLY 20 -10.436 0.345 7.875 162 1HA GLY 20 2HA GLY 20 -11.581 0.932 10.476 163 2HA GLY 20 1HA GLY 20 -9.884 0.632 10.122 164 H VAL 21 H VAL 21 -8.687 2.393 9.021 165 HA VAL 21 HA VAL 21 -9.608 5.008 8.721 166 HB VAL 21 HB VAL 21 -10.073 5.232 11.027 167 1HG1 VAL 21 1HG1 VAL 21 -7.456 3.776 11.488 168 2HG1 VAL 21 2HG1 VAL 21 -9.077 3.218 11.897 169 3HG1 VAL 21 3HG1 VAL 21 -8.363 4.571 12.772 170 1HG2 VAL 21 1HG2 VAL 21 -7.223 6.203 11.005 171 2HG2 VAL 21 2HG2 VAL 21 -8.655 6.984 11.674 172 3HG2 VAL 21 3HG2 VAL 21 -8.413 6.934 9.928 173 H ILE 22 H ILE 22 -6.908 3.102 9.952 174 HA ILE 22 HA ILE 22 -4.937 2.803 8.536 175 HB ILE 22 HB ILE 22 -5.592 4.819 7.096 176 1HG1 ILE 22 2HG1 ILE 22 -2.692 4.902 7.897 177 2HG1 ILE 22 1HG1 ILE 22 -3.364 3.451 7.154 178 1HG2 ILE 22 1HG2 ILE 22 -5.213 6.957 7.824 179 2HG2 ILE 22 2HG2 ILE 22 -3.766 6.498 8.721 180 3HG2 ILE 22 3HG2 ILE 22 -5.360 6.238 9.427 181 1HD1 ILE 22 1HD1 ILE 22 -3.545 6.236 5.975 182 2HD1 ILE 22 2HD1 ILE 22 -4.116 4.747 5.224 183 3HD1 ILE 22 3HD1 ILE 22 -2.389 5.001 5.472 184 H THR 23 H THR 23 -2.687 3.419 9.157 185 HA THR 23 HA THR 23 -2.468 4.637 11.824 186 HB THR 23 HB THR 23 -1.051 2.745 12.585 187 HG1 THR 23 HG1 THR 23 -2.008 1.542 10.201 188 1HG2 THR 23 1HG2 THR 23 -2.859 1.281 13.131 189 2HG2 THR 23 2HG2 THR 23 -3.758 1.739 11.686 190 3HG2 THR 23 3HG2 THR 23 -3.563 2.893 13.004 191 H GLU 24 H GLU 24 -0.341 5.351 12.332 192 HA GLU 24 HA GLU 24 1.090 6.591 10.324 193 1HB GLU 24 2HB GLU 24 1.297 6.891 12.864 194 2HB GLU 24 1HB GLU 24 2.414 5.528 12.820 195 1HG GLU 24 2HG GLU 24 3.844 7.382 12.600 196 2HG GLU 24 1HG GLU 24 3.619 6.852 10.936 197 H GLU 25 H GLU 25 1.593 3.374 11.711 198 HA GLU 25 HA GLU 25 3.966 2.706 10.350 199 1HB GLU 25 2HB GLU 25 1.754 0.809 11.178 200 2HB GLU 25 1HB GLU 25 3.452 0.409 10.921 201 1HG GLU 25 2HG GLU 25 2.479 2.391 13.003 202 2HG GLU 25 1HG GLU 25 2.825 0.697 13.345 203 H GLU 26 H GLU 26 0.561 2.034 9.521 204 HA GLU 26 HA GLU 26 1.071 0.709 7.079 205 1HB GLU 26 2HB GLU 26 -1.320 2.154 8.204 206 2HB GLU 26 1HB GLU 26 -1.339 1.503 6.565 207 1HG GLU 26 2HG GLU 26 -0.734 -0.732 7.461 208 2HG GLU 26 1HG GLU 26 -0.776 -0.073 9.095 209 H LYS 27 H LYS 27 0.547 4.112 7.872 210 HA LYS 27 HA LYS 27 0.268 5.211 5.346 211 1HB LYS 27 2HB LYS 27 0.177 6.376 7.630 212 2HB LYS 27 1HB LYS 27 1.932 6.501 7.511 213 1HG LYS 27 2HG LYS 27 1.326 8.508 6.521 214 2HG LYS 27 1HG LYS 27 1.361 7.464 5.099 215 1HD LYS 27 2HD LYS 27 -0.720 8.508 4.877 216 2HD LYS 27 1HD LYS 27 -1.152 7.008 5.697 217 1HE LYS 27 2HE LYS 27 -0.736 8.412 7.883 218 2HE LYS 27 1HE LYS 27 -0.986 9.791 6.813 219 1HZ LYS 27 1HZ LYS 27 -2.862 7.582 7.413 220 2HZ LYS 27 2HZ LYS 27 -3.071 8.607 6.074 221 3HZ LYS 27 3HZ LYS 27 -3.091 9.246 7.648 222 H ALA 28 H ALA 28 3.296 4.620 7.134 223 HA ALA 28 HA ALA 28 5.046 5.512 5.107 224 1HB ALA 28 1HB ALA 28 6.768 4.210 6.338 225 2HB ALA 28 2HB ALA 28 5.490 3.495 7.322 226 3HB ALA 28 3HB ALA 28 5.801 5.230 7.404 227 H GLU 29 H GLU 29 3.831 2.270 5.911 228 HA GLU 29 HA GLU 29 5.269 0.808 4.016 229 1HB GLU 29 2HB GLU 29 3.984 -0.249 5.817 230 2HB GLU 29 1HB GLU 29 2.478 0.282 5.069 231 1HG GLU 29 2HG GLU 29 2.941 -2.055 4.473 232 2HG GLU 29 1HG GLU 29 3.035 -1.034 3.040 233 H GLN 30 H GLN 30 1.952 2.102 3.732 234 HA GLN 30 HA GLN 30 1.346 1.345 1.161 235 1HB GLN 30 2HB GLN 30 0.696 4.018 2.425 236 2HB GLN 30 1HB GLN 30 -0.152 3.282 1.067 237 1HG GLN 30 2HG GLN 30 0.000 1.386 3.236 238 2HG GLN 30 1HG GLN 30 -0.665 2.904 3.832 239 1HE2 GLN 30 1HE2 GLN 30 -1.024 0.911 0.827 240 2HE2 GLN 30 2HE2 GLN 30 -2.718 1.028 0.792 241 H GLN 31 H GLN 31 3.029 4.335 2.131 242 HA GLN 31 HA GLN 31 3.466 5.355 -0.448 243 1HB GLN 31 2HB GLN 31 3.803 6.558 1.757 244 2HB GLN 31 1HB GLN 31 5.332 5.696 1.906 245 1HG GLN 31 2HG GLN 31 5.851 7.810 0.906 246 2HG GLN 31 1HG GLN 31 5.946 6.618 -0.387 247 1HE2 GLN 31 1HE2 GLN 31 3.030 8.152 1.066 248 2HE2 GLN 31 2HE2 GLN 31 2.482 8.830 -0.391 249 H LYS 32 H LYS 32 5.313 3.069 1.500 250 HA LYS 32 HA LYS 32 7.648 2.922 -0.048 251 1HB LYS 32 2HB LYS 32 6.954 1.833 2.271 252 2HB LYS 32 1HB LYS 32 6.557 0.456 1.246 253 1HG LYS 32 2HG LYS 32 8.802 0.363 0.373 254 2HG LYS 32 1HG LYS 32 9.227 1.886 1.154 255 1HD LYS 32 2HD LYS 32 8.217 -0.368 2.858 256 2HD LYS 32 1HD LYS 32 9.881 -0.429 2.274 257 1HE LYS 32 2HE LYS 32 10.425 1.654 3.330 258 2HE LYS 32 1HE LYS 32 8.730 1.997 3.676 259 1HZ LYS 32 1HZ LYS 32 10.598 0.325 5.101 260 2HZ LYS 32 2HZ LYS 32 9.082 -0.400 4.844 261 3HZ LYS 32 3HZ LYS 32 9.188 1.092 5.652 262 H LEU 33 H LEU 33 4.839 0.714 -0.099 263 HA LEU 33 HA LEU 33 5.609 -0.798 -2.319 264 1HB LEU 33 2HB LEU 33 2.748 -0.116 -1.618 265 2HB LEU 33 1HB LEU 33 3.349 -1.572 -2.410 266 HG LEU 33 HG LEU 33 3.796 -0.727 0.465 267 1HD1 LEU 33 1HD1 LEU 33 2.434 -3.089 -0.853 268 2HD1 LEU 33 2HD1 LEU 33 1.670 -1.822 0.105 269 3HD1 LEU 33 3HD1 LEU 33 2.754 -2.979 0.878 270 1HD2 LEU 33 1HD2 LEU 33 5.013 -3.023 0.515 271 2HD2 LEU 33 2HD2 LEU 33 5.888 -1.642 -0.147 272 3HD2 LEU 33 3HD2 LEU 33 5.153 -2.824 -1.233 273 H ARG 34 H ARG 34 3.869 2.268 -2.125 274 HA ARG 34 HA ARG 34 3.121 2.426 -4.859 275 1HB ARG 34 2HB ARG 34 3.342 4.370 -2.595 276 2HB ARG 34 1HB ARG 34 3.166 4.995 -4.234 277 1HG ARG 34 2HG ARG 34 1.333 2.779 -3.458 278 2HG ARG 34 1HG ARG 34 1.046 4.342 -2.696 279 1HD ARG 34 2HD ARG 34 1.408 4.048 -5.685 280 2HD ARG 34 1HD ARG 34 -0.169 3.920 -4.912 281 HE ARG 34 HE ARG 34 1.117 6.305 -4.066 282 1HH1 ARG 34 1HH2 ARG 34 -0.382 4.839 -6.833 283 2HH1 ARG 34 2HH2 ARG 34 -0.927 6.342 -7.498 284 1HH2 ARG 34 1HH1 ARG 34 0.413 8.268 -4.949 285 2HH2 ARG 34 2HH1 ARG 34 -0.467 8.279 -6.440 286 H GLN 35 H GLN 35 5.982 3.503 -3.071 287 HA GLN 35 HA GLN 35 7.201 4.988 -5.133 288 1HB GLN 35 2HB GLN 35 7.923 5.007 -2.744 289 2HB GLN 35 1HB GLN 35 8.566 3.381 -2.954 290 1HG GLN 35 2HG GLN 35 9.412 5.638 -4.771 291 2HG GLN 35 1HG GLN 35 10.203 5.373 -3.220 292 1HE2 GLN 35 1HE2 GLN 35 10.085 2.461 -3.236 293 2HE2 GLN 35 2HE2 GLN 35 11.128 1.922 -4.459 294 H GLU 36 H GLU 36 7.610 1.588 -4.161 295 HA GLU 36 HA GLU 36 9.410 0.887 -6.237 296 1HB GLU 36 2HB GLU 36 9.038 -0.418 -4.126 297 2HB GLU 36 1HB GLU 36 7.481 -0.929 -4.774 298 1HG GLU 36 2HG GLU 36 8.782 -1.764 -6.824 299 2HG GLU 36 1HG GLU 36 10.237 -1.540 -5.856 300 H TYR 37 H TYR 37 5.895 0.840 -5.957 301 HA TYR 37 HA TYR 37 5.186 -0.641 -8.193 302 1HB TYR 37 2HB TYR 37 3.601 0.261 -6.489 303 2HB TYR 37 1HB TYR 37 3.797 1.862 -7.200 304 HD1 TYR 37 HD1 TYR 37 3.093 -1.658 -8.326 305 HD2 TYR 37 HD2 TYR 37 2.216 2.523 -8.773 306 HE1 TYR 37 HE1 TYR 37 1.371 -2.200 -10.025 307 HE2 TYR 37 HE2 TYR 37 0.494 1.980 -10.471 308 HH TYR 37 HH TYR 37 -0.105 0.226 -11.986 309 H LEU 38 H LEU 38 5.638 2.901 -8.024 310 HA LEU 38 HA LEU 38 5.303 3.399 -10.772 311 1HB LEU 38 2HB LEU 38 6.399 4.863 -8.443 312 2HB LEU 38 1HB LEU 38 7.003 5.386 -10.014 313 HG LEU 38 HG LEU 38 4.927 6.600 -9.263 314 1HD1 LEU 38 1HD1 LEU 38 5.644 5.722 -11.767 315 2HD1 LEU 38 2HD1 LEU 38 4.344 6.864 -11.438 316 3HD1 LEU 38 3HD1 LEU 38 3.980 5.151 -11.646 317 1HD2 LEU 38 1HD2 LEU 38 2.883 5.505 -8.987 318 2HD2 LEU 38 2HD2 LEU 38 4.000 4.326 -8.303 319 3HD2 LEU 38 3HD2 LEU 38 3.384 4.111 -9.943 320 H LYS 39 H LYS 39 8.171 2.546 -8.883 321 HA LYS 39 HA LYS 39 10.074 2.936 -10.954 322 1HB LYS 39 2HB LYS 39 10.461 2.599 -8.415 323 2HB LYS 39 1HB LYS 39 10.372 0.875 -8.776 324 1HG LYS 39 2HG LYS 39 12.196 1.083 -10.393 325 2HG LYS 39 1HG LYS 39 12.252 2.828 -10.142 326 1HD LYS 39 2HD LYS 39 13.071 2.598 -7.927 327 2HD LYS 39 1HD LYS 39 12.623 0.893 -7.851 328 1HE LYS 39 2HE LYS 39 15.115 1.416 -8.218 329 2HE LYS 39 1HE LYS 39 14.378 0.250 -9.315 330 1HZ LYS 39 1HZ LYS 39 14.265 3.062 -10.086 331 2HZ LYS 39 2HZ LYS 39 14.468 1.679 -11.051 332 3HZ LYS 39 3HZ LYS 39 15.780 2.308 -10.171 333 H GLY 40 H GLY 40 7.991 0.251 -10.051 334 1HA GLY 40 2HA GLY 40 9.216 -1.613 -11.901 335 2HA GLY 40 1HA GLY 40 7.763 -1.887 -10.943 336 H PHE 41 H PHE 41 7.469 1.060 -12.443 337 HA PHE 41 HA PHE 41 6.735 0.362 -15.091 338 1HB PHE 41 2HB PHE 41 4.911 -0.753 -13.577 339 2HB PHE 41 1HB PHE 41 4.303 0.891 -13.405 340 HD1 PHE 41 HD1 PHE 41 3.145 1.981 -15.184 341 HD2 PHE 41 HD2 PHE 41 5.167 -1.745 -15.887 342 HE1 PHE 41 HE1 PHE 41 2.078 1.820 -17.417 343 HE2 PHE 41 HE2 PHE 41 4.100 -1.904 -18.119 344 HZ PHE 41 HZ PHE 41 2.557 -0.120 -18.886 345 H ARG 42 H ARG 42 7.753 2.257 -15.634 346 HA ARG 42 HA ARG 42 6.901 4.777 -14.432 347 1HB ARG 42 2HB ARG 42 8.774 4.610 -16.764 348 2HB ARG 42 1HB ARG 42 8.776 5.732 -15.404 349 1HG ARG 42 2HG ARG 42 9.409 3.821 -13.901 350 2HG ARG 42 1HG ARG 42 9.556 2.802 -15.334 351 1HD ARG 42 2HD ARG 42 11.190 5.251 -14.635 352 2HD ARG 42 1HD ARG 42 11.761 3.598 -14.845 353 HE ARG 42 HE ARG 42 10.555 4.395 -17.252 354 1HH1 ARG 42 1HH2 ARG 42 13.270 5.192 -15.248 355 2HH1 ARG 42 2HH2 ARG 42 14.248 5.750 -16.565 356 1HH2 ARG 42 1HH1 ARG 42 11.827 5.143 -18.971 357 2HH2 ARG 42 2HH1 ARG 42 13.428 5.732 -18.668 Start of MODEL 17 1 1H MET 1 1HT MET 1 3.459 -10.290 -16.282 2 2H MET 1 2HT MET 1 2.629 -8.808 -16.281 3 3H MET 1 3HT MET 1 2.114 -10.074 -15.273 4 HA MET 1 HA MET 1 4.291 -9.955 -14.114 5 1HB MET 1 2HB MET 1 5.180 -7.433 -14.500 6 2HB MET 1 1HB MET 1 5.817 -8.815 -15.386 7 1HG MET 1 2HG MET 1 3.464 -7.209 -16.398 8 2HG MET 1 1HG MET 1 5.129 -6.784 -16.789 9 1HE MET 1 1HE MET 1 4.907 -6.936 -19.204 10 2HE MET 1 2HE MET 1 5.382 -8.433 -20.004 11 3HE MET 1 3HE MET 1 6.405 -7.756 -18.739 12 H ILE 2 H ILE 2 1.317 -9.098 -14.332 13 HA ILE 2 HA ILE 2 1.362 -7.298 -11.981 14 HB ILE 2 HB ILE 2 -0.771 -7.323 -14.129 15 1HG1 ILE 2 2HG1 ILE 2 1.506 -5.359 -13.680 16 2HG1 ILE 2 1HG1 ILE 2 1.376 -6.482 -15.033 17 1HG2 ILE 2 1HG2 ILE 2 -1.441 -6.598 -11.829 18 2HG2 ILE 2 2HG2 ILE 2 -1.533 -5.287 -13.005 19 3HG2 ILE 2 3HG2 ILE 2 -0.177 -5.370 -11.881 20 1HD1 ILE 2 1HD1 ILE 2 -0.391 -4.113 -14.406 21 2HD1 ILE 2 2HD1 ILE 2 -0.889 -5.382 -15.526 22 3HD1 ILE 2 3HD1 ILE 2 0.548 -4.417 -15.868 23 H SER 3 H SER 3 -0.592 -9.646 -13.809 24 HA SER 3 HA SER 3 -2.186 -11.163 -13.147 25 1HB SER 3 2HB SER 3 -1.456 -12.690 -11.439 26 2HB SER 3 1HB SER 3 -0.034 -12.175 -12.337 27 HG SER 3 HG SER 3 -0.799 -10.662 -10.122 28 H ASN 4 H ASN 4 -2.375 -8.324 -12.077 29 HA ASN 4 HA ASN 4 -3.698 -7.102 -10.654 30 1HB ASN 4 2HB ASN 4 -5.315 -9.657 -10.490 31 2HB ASN 4 1HB ASN 4 -5.886 -8.023 -10.168 32 1HD2 ASN 4 1HD2 ASN 4 -3.797 -7.640 -12.721 33 2HD2 ASN 4 2HD2 ASN 4 -4.890 -7.816 -14.008 34 H ALA 5 H ALA 5 -1.567 -9.052 -9.581 35 HA ALA 5 HA ALA 5 -2.474 -9.778 -6.948 36 1HB ALA 5 1HB ALA 5 -0.052 -10.302 -6.577 37 2HB ALA 5 2HB ALA 5 0.279 -9.691 -8.199 38 3HB ALA 5 3HB ALA 5 -0.748 -11.108 -7.981 39 H LYS 6 H LYS 6 -0.699 -7.086 -8.374 40 HA LYS 6 HA LYS 6 0.187 -5.930 -5.928 41 1HB LYS 6 2HB LYS 6 1.295 -5.215 -7.906 42 2HB LYS 6 1HB LYS 6 -0.225 -4.820 -8.708 43 1HG LYS 6 2HG LYS 6 -0.595 -2.932 -7.288 44 2HG LYS 6 1HG LYS 6 0.682 -3.427 -6.178 45 1HD LYS 6 2HD LYS 6 2.394 -2.877 -7.733 46 2HD LYS 6 1HD LYS 6 1.250 -2.777 -9.074 47 1HE LYS 6 2HE LYS 6 0.892 -0.958 -6.713 48 2HE LYS 6 1HE LYS 6 2.114 -0.567 -7.922 49 1HZ LYS 6 1HZ LYS 6 -0.773 -1.036 -8.432 50 2HZ LYS 6 2HZ LYS 6 0.395 -0.746 -9.633 51 3HZ LYS 6 3HZ LYS 6 0.028 0.458 -8.493 52 H ILE 7 H ILE 7 -2.534 -5.137 -8.085 53 HA ILE 7 HA ILE 7 -3.681 -3.120 -6.531 54 HB ILE 7 HB ILE 7 -4.878 -5.091 -8.484 55 1HG1 ILE 7 2HG1 ILE 7 -5.152 -2.845 -9.739 56 2HG1 ILE 7 1HG1 ILE 7 -4.048 -2.183 -8.536 57 1HG2 ILE 7 1HG2 ILE 7 -6.766 -4.598 -7.174 58 2HG2 ILE 7 2HG2 ILE 7 -6.823 -3.342 -8.411 59 3HG2 ILE 7 3HG2 ILE 7 -6.201 -2.968 -6.804 60 1HD1 ILE 7 1HD1 ILE 7 -3.050 -3.116 -10.755 61 2HD1 ILE 7 2HD1 ILE 7 -3.336 -4.699 -10.032 62 3HD1 ILE 7 3HD1 ILE 7 -2.265 -3.545 -9.235 63 H ALA 8 H ALA 8 -4.481 -6.597 -6.600 64 HA ALA 8 HA ALA 8 -6.437 -6.619 -4.626 65 1HB ALA 8 1HB ALA 8 -4.381 -8.743 -5.268 66 2HB ALA 8 2HB ALA 8 -5.964 -8.562 -6.020 67 3HB ALA 8 3HB ALA 8 -5.845 -9.003 -4.318 68 H ARG 9 H ARG 9 -2.911 -6.963 -4.255 69 HA ARG 9 HA ARG 9 -2.887 -7.432 -1.482 70 1HB ARG 9 2HB ARG 9 -0.920 -7.787 -2.917 71 2HB ARG 9 1HB ARG 9 -0.790 -6.048 -3.175 72 1HG ARG 9 2HG ARG 9 -0.451 -5.696 -0.764 73 2HG ARG 9 1HG ARG 9 -0.628 -7.427 -0.475 74 1HD ARG 9 2HD ARG 9 1.313 -7.669 -2.201 75 2HD ARG 9 1HD ARG 9 1.606 -5.964 -1.864 76 HE ARG 9 HE ARG 9 1.389 -7.606 0.512 77 1HH1 ARG 9 1HH2 ARG 9 3.462 -6.373 -1.980 78 2HH1 ARG 9 2HH2 ARG 9 4.908 -6.542 -1.043 79 1HH2 ARG 9 1HH1 ARG 9 3.283 -7.824 1.735 80 2HH2 ARG 9 2HH1 ARG 9 4.809 -7.365 1.055 81 H ILE 10 H ILE 10 -1.728 -4.401 -2.932 82 HA ILE 10 HA ILE 10 -1.886 -2.817 -0.687 83 HB ILE 10 HB ILE 10 -2.384 -1.945 -3.546 84 1HG1 ILE 10 2HG1 ILE 10 0.220 -1.896 -1.996 85 2HG1 ILE 10 1HG1 ILE 10 -0.241 -3.268 -3.002 86 1HG2 ILE 10 1HG2 ILE 10 -1.394 0.218 -2.642 87 2HG2 ILE 10 2HG2 ILE 10 -1.601 -0.454 -1.024 88 3HG2 ILE 10 3HG2 ILE 10 -3.008 -0.167 -2.050 89 1HD1 ILE 10 1HD1 ILE 10 -0.569 -1.597 -4.904 90 2HD1 ILE 10 2HD1 ILE 10 1.098 -1.858 -4.392 91 3HD1 ILE 10 3HD1 ILE 10 0.231 -0.411 -3.877 92 H ASN 11 H ASN 11 -4.477 -3.545 -3.004 93 HA ASN 11 HA ASN 11 -6.380 -1.697 -2.066 94 1HB ASN 11 2HB ASN 11 -6.748 -2.872 -4.147 95 2HB ASN 11 1HB ASN 11 -6.763 -4.428 -3.317 96 1HD2 ASN 11 1HD2 ASN 11 -8.826 -5.190 -2.845 97 2HD2 ASN 11 2HD2 ASN 11 -10.202 -4.216 -2.649 98 H GLU 12 H GLU 12 -5.996 -5.150 -1.223 99 HA GLU 12 HA GLU 12 -7.995 -5.249 0.736 100 1HB GLU 12 2HB GLU 12 -6.673 -7.185 -0.329 101 2HB GLU 12 1HB GLU 12 -5.452 -6.858 0.903 102 1HG GLU 12 2HG GLU 12 -7.235 -7.085 2.654 103 2HG GLU 12 1HG GLU 12 -8.365 -7.555 1.389 104 H LEU 13 H LEU 13 -4.478 -4.758 1.152 105 HA LEU 13 HA LEU 13 -4.530 -4.384 3.938 106 1HB LEU 13 2HB LEU 13 -2.533 -4.640 2.220 107 2HB LEU 13 1HB LEU 13 -2.562 -2.878 2.261 108 HG LEU 13 HG LEU 13 -2.385 -4.656 4.715 109 1HD1 LEU 13 1HD1 LEU 13 -0.269 -3.068 3.232 110 2HD1 LEU 13 2HD1 LEU 13 -0.331 -4.820 3.420 111 3HD1 LEU 13 3HD1 LEU 13 -0.036 -3.792 4.822 112 1HD2 LEU 13 1HD2 LEU 13 -2.515 -1.692 4.246 113 2HD2 LEU 13 2HD2 LEU 13 -1.565 -2.300 5.601 114 3HD2 LEU 13 3HD2 LEU 13 -3.289 -2.657 5.502 115 H ALA 14 H ALA 14 -4.439 -1.925 1.344 116 HA ALA 14 HA ALA 14 -4.614 0.349 2.932 117 1HB ALA 14 1HB ALA 14 -4.185 0.452 0.525 118 2HB ALA 14 2HB ALA 14 -5.564 1.467 0.946 119 3HB ALA 14 3HB ALA 14 -5.823 -0.107 0.193 120 H ALA 15 H ALA 15 -7.332 -1.329 1.331 121 HA ALA 15 HA ALA 15 -9.381 0.172 2.551 122 1HB ALA 15 1HB ALA 15 -10.861 -1.682 1.850 123 2HB ALA 15 2HB ALA 15 -9.440 -2.654 1.469 124 3HB ALA 15 3HB ALA 15 -9.771 -1.181 0.558 125 H LYS 16 H LYS 16 -7.729 -2.783 3.539 126 HA LYS 16 HA LYS 16 -9.411 -3.497 5.689 127 1HB LYS 16 2HB LYS 16 -7.808 -5.101 4.904 128 2HB LYS 16 1HB LYS 16 -6.467 -3.994 5.196 129 1HG LYS 16 2HG LYS 16 -6.666 -4.191 7.548 130 2HG LYS 16 1HG LYS 16 -8.286 -4.878 7.436 131 1HD LYS 16 2HD LYS 16 -6.604 -6.615 7.974 132 2HD LYS 16 1HD LYS 16 -7.371 -6.920 6.417 133 1HE LYS 16 2HE LYS 16 -4.835 -7.176 6.462 134 2HE LYS 16 1HE LYS 16 -5.467 -6.103 5.215 135 1HZ LYS 16 1HZ LYS 16 -3.540 -5.440 6.954 136 2HZ LYS 16 2HZ LYS 16 -4.909 -4.828 7.748 137 3HZ LYS 16 3HZ LYS 16 -4.541 -4.318 6.170 138 H ALA 17 H ALA 17 -6.221 -1.909 5.816 139 HA ALA 17 HA ALA 17 -6.364 -1.099 8.497 140 1HB ALA 17 1HB ALA 17 -4.931 0.438 6.325 141 2HB ALA 17 2HB ALA 17 -4.325 -1.094 6.960 142 3HB ALA 17 3HB ALA 17 -4.496 0.297 8.032 143 H LYS 18 H LYS 18 -7.999 0.094 5.704 144 HA LYS 18 HA LYS 18 -8.437 2.762 6.715 145 1HB LYS 18 2HB LYS 18 -8.533 2.097 4.270 146 2HB LYS 18 1HB LYS 18 -10.087 1.341 4.620 147 1HG LYS 18 2HG LYS 18 -10.984 3.475 5.413 148 2HG LYS 18 1HG LYS 18 -9.417 4.247 5.173 149 1HD LYS 18 2HD LYS 18 -9.542 3.880 2.774 150 2HD LYS 18 1HD LYS 18 -11.027 2.946 2.959 151 1HE LYS 18 2HE LYS 18 -12.303 4.835 3.512 152 2HE LYS 18 1HE LYS 18 -10.887 5.772 3.987 153 1HZ LYS 18 1HZ LYS 18 -10.362 6.248 1.835 154 2HZ LYS 18 2HZ LYS 18 -12.053 6.158 1.696 155 3HZ LYS 18 3HZ LYS 18 -11.086 4.847 1.214 156 H ALA 19 H ALA 19 -10.722 0.065 6.144 157 HA ALA 19 HA ALA 19 -12.695 1.198 7.900 158 1HB ALA 19 1HB ALA 19 -13.837 -1.027 7.553 159 2HB ALA 19 2HB ALA 19 -12.454 -1.509 6.570 160 3HB ALA 19 3HB ALA 19 -13.464 -0.153 6.067 161 H GLY 20 H GLY 20 -9.835 -0.412 8.464 162 1HA GLY 20 2HA GLY 20 -10.758 -1.711 10.943 163 2HA GLY 20 1HA GLY 20 -9.200 -1.969 10.159 164 H VAL 21 H VAL 21 -7.783 0.021 10.033 165 HA VAL 21 HA VAL 21 -8.116 2.194 11.807 166 HB VAL 21 HB VAL 21 -7.853 0.720 13.645 167 1HG1 VAL 21 1HG1 VAL 21 -5.395 -0.483 12.352 168 2HG1 VAL 21 2HG1 VAL 21 -7.001 -1.186 12.178 169 3HG1 VAL 21 3HG1 VAL 21 -6.263 -1.058 13.773 170 1HG2 VAL 21 1HG2 VAL 21 -4.997 1.567 13.194 171 2HG2 VAL 21 2HG2 VAL 21 -5.929 1.576 14.691 172 3HG2 VAL 21 3HG2 VAL 21 -6.261 2.774 13.439 173 H ILE 22 H ILE 22 -7.261 3.486 10.254 174 HA ILE 22 HA ILE 22 -4.699 2.795 9.022 175 HB ILE 22 HB ILE 22 -6.636 3.688 7.676 176 1HG1 ILE 22 2HG1 ILE 22 -5.065 5.602 6.658 177 2HG1 ILE 22 1HG1 ILE 22 -3.881 4.854 7.730 178 1HG2 ILE 22 1HG2 ILE 22 -5.904 6.359 8.886 179 2HG2 ILE 22 2HG2 ILE 22 -7.249 5.392 9.491 180 3HG2 ILE 22 3HG2 ILE 22 -7.261 5.978 7.828 181 1HD1 ILE 22 1HD1 ILE 22 -5.529 3.398 5.641 182 2HD1 ILE 22 2HD1 ILE 22 -4.339 2.656 6.710 183 3HD1 ILE 22 3HD1 ILE 22 -3.822 3.818 5.490 184 H THR 23 H THR 23 -2.813 3.783 9.421 185 HA THR 23 HA THR 23 -2.770 6.189 11.114 186 HB THR 23 HB THR 23 -1.213 5.285 12.655 187 HG1 THR 23 HG1 THR 23 -1.082 2.783 11.479 188 1HG2 THR 23 1HG2 THR 23 -2.423 3.516 13.688 189 2HG2 THR 23 2HG2 THR 23 -3.055 2.945 12.145 190 3HG2 THR 23 3HG2 THR 23 -3.634 4.465 12.827 191 H GLU 24 H GLU 24 -0.656 7.271 11.066 192 HA GLU 24 HA GLU 24 0.300 7.754 8.513 193 1HB GLU 24 2HB GLU 24 1.617 8.093 11.210 194 2HB GLU 24 1HB GLU 24 2.359 8.657 9.711 195 1HG GLU 24 2HG GLU 24 0.565 10.164 9.272 196 2HG GLU 24 1HG GLU 24 -0.459 9.418 10.497 197 H GLU 25 H GLU 25 1.340 5.352 10.861 198 HA GLU 25 HA GLU 25 3.732 4.514 9.650 199 1HB GLU 25 2HB GLU 25 2.680 3.874 11.948 200 2HB GLU 25 1HB GLU 25 1.874 2.598 11.039 201 1HG GLU 25 2HG GLU 25 4.869 3.061 11.001 202 2HG GLU 25 1HG GLU 25 4.070 1.899 12.057 203 H GLU 26 H GLU 26 0.402 3.323 9.248 204 HA GLU 26 HA GLU 26 0.980 1.276 7.402 205 1HB GLU 26 2HB GLU 26 -1.571 2.901 7.565 206 2HB GLU 26 1HB GLU 26 -1.388 1.278 6.899 207 1HG GLU 26 2HG GLU 26 -0.882 2.048 9.790 208 2HG GLU 26 1HG GLU 26 -2.323 1.225 9.196 209 H LYS 27 H LYS 27 -0.229 4.583 6.837 210 HA LYS 27 HA LYS 27 -0.270 4.569 4.067 211 1HB LYS 27 2HB LYS 27 0.214 6.739 6.093 212 2HB LYS 27 1HB LYS 27 0.232 7.086 4.365 213 1HG LYS 27 2HG LYS 27 -2.030 6.027 4.178 214 2HG LYS 27 1HG LYS 27 -2.053 5.859 5.934 215 1HD LYS 27 2HD LYS 27 -1.405 8.563 4.879 216 2HD LYS 27 1HD LYS 27 -3.067 8.018 4.663 217 1HE LYS 27 2HE LYS 27 -3.456 7.854 6.961 218 2HE LYS 27 1HE LYS 27 -1.741 7.693 7.339 219 1HZ LYS 27 1HZ LYS 27 -1.515 9.882 7.484 220 2HZ LYS 27 2HZ LYS 27 -3.209 9.987 7.467 221 3HZ LYS 27 3HZ LYS 27 -2.332 10.155 6.023 222 H ALA 28 H ALA 28 2.449 5.109 6.259 223 HA ALA 28 HA ALA 28 4.344 5.991 4.374 224 1HB ALA 28 1HB ALA 28 5.075 4.235 6.707 225 2HB ALA 28 2HB ALA 28 4.491 5.877 6.967 226 3HB ALA 28 3HB ALA 28 5.958 5.603 6.030 227 H GLU 29 H GLU 29 3.640 2.719 5.584 228 HA GLU 29 HA GLU 29 5.519 1.310 4.067 229 1HB GLU 29 2HB GLU 29 4.122 0.412 5.965 230 2HB GLU 29 1HB GLU 29 2.771 0.309 4.838 231 1HG GLU 29 2HG GLU 29 4.250 -1.104 3.343 232 2HG GLU 29 1HG GLU 29 5.425 -1.142 4.656 233 H GLN 30 H GLN 30 2.043 1.765 3.360 234 HA GLN 30 HA GLN 30 1.939 0.573 0.869 235 1HB GLN 30 2HB GLN 30 0.429 3.115 1.447 236 2HB GLN 30 1HB GLN 30 -0.086 1.718 0.503 237 1HG GLN 30 2HG GLN 30 0.368 0.521 2.897 238 2HG GLN 30 1HG GLN 30 -0.107 2.130 3.440 239 1HE2 GLN 30 1HE2 GLN 30 -1.226 -0.687 1.554 240 2HE2 GLN 30 2HE2 GLN 30 -2.872 -0.284 1.635 241 H GLN 31 H GLN 31 2.788 3.940 1.629 242 HA GLN 31 HA GLN 31 3.078 4.896 -0.987 243 1HB GLN 31 2HB GLN 31 3.081 6.299 1.074 244 2HB GLN 31 1HB GLN 31 4.704 5.708 1.434 245 1HG GLN 31 2HG GLN 31 5.481 6.591 -0.762 246 2HG GLN 31 1HG GLN 31 3.870 7.247 -1.044 247 1HE2 GLN 31 1HE2 GLN 31 3.802 7.792 2.051 248 2HE2 GLN 31 2HE2 GLN 31 4.671 9.243 2.194 249 H LYS 32 H LYS 32 5.330 3.134 1.088 250 HA LYS 32 HA LYS 32 7.654 3.426 -0.469 251 1HB LYS 32 2HB LYS 32 7.508 2.473 1.869 252 2HB LYS 32 1HB LYS 32 6.912 0.978 1.147 253 1HG LYS 32 2HG LYS 32 8.953 0.706 -0.131 254 2HG LYS 32 1HG LYS 32 9.534 2.293 0.378 255 1HD LYS 32 2HD LYS 32 9.775 1.577 2.652 256 2HD LYS 32 1HD LYS 32 8.899 0.077 2.340 257 1HE LYS 32 2HE LYS 32 10.717 -0.607 0.764 258 2HE LYS 32 1HE LYS 32 11.609 0.849 1.211 259 1HZ LYS 32 1HZ LYS 32 10.784 -0.485 3.543 260 2HZ LYS 32 2HZ LYS 32 12.364 -0.177 2.999 261 3HZ LYS 32 3HZ LYS 32 11.563 -1.601 2.532 262 H LEU 33 H LEU 33 5.211 0.827 -0.461 263 HA LEU 33 HA LEU 33 6.289 -0.746 -2.498 264 1HB LEU 33 2HB LEU 33 3.404 -0.288 -1.714 265 2HB LEU 33 1HB LEU 33 3.931 -1.540 -2.838 266 HG LEU 33 HG LEU 33 4.931 -1.261 0.013 267 1HD1 LEU 33 1HD1 LEU 33 3.058 -3.365 -1.092 268 2HD1 LEU 33 2HD1 LEU 33 2.474 -1.898 -0.307 269 3HD1 LEU 33 3HD1 LEU 33 3.460 -3.048 0.596 270 1HD2 LEU 33 1HD2 LEU 33 5.479 -3.147 -2.268 271 2HD2 LEU 33 2HD2 LEU 33 5.551 -3.757 -0.613 272 3HD2 LEU 33 3HD2 LEU 33 6.609 -2.437 -1.113 273 H ARG 34 H ARG 34 3.586 1.564 -2.856 274 HA ARG 34 HA ARG 34 3.297 1.541 -5.580 275 1HB ARG 34 2HB ARG 34 3.056 3.835 -3.631 276 2HB ARG 34 1HB ARG 34 2.585 3.970 -5.326 277 1HG ARG 34 2HG ARG 34 1.041 2.054 -5.044 278 2HG ARG 34 1HG ARG 34 1.493 1.949 -3.343 279 1HD ARG 34 2HD ARG 34 0.388 3.910 -2.787 280 2HD ARG 34 1HD ARG 34 0.536 4.579 -4.407 281 HE ARG 34 HE ARG 34 -1.257 3.084 -5.105 282 1HH1 ARG 34 1HH2 ARG 34 -0.704 3.375 -1.683 283 2HH1 ARG 34 2HH2 ARG 34 -2.294 2.843 -1.256 284 1HH2 ARG 34 1HH1 ARG 34 -3.325 2.387 -4.528 285 2HH2 ARG 34 2HH1 ARG 34 -3.770 2.281 -2.858 286 H GLN 35 H GLN 35 5.476 3.708 -3.762 287 HA GLN 35 HA GLN 35 6.635 4.959 -6.011 288 1HB GLN 35 2HB GLN 35 7.356 4.654 -3.130 289 2HB GLN 35 1HB GLN 35 8.618 5.186 -4.240 290 1HG GLN 35 2HG GLN 35 7.261 7.054 -4.985 291 2HG GLN 35 1HG GLN 35 5.883 6.480 -4.048 292 1HE2 GLN 35 1HE2 GLN 35 5.844 8.467 -2.762 293 2HE2 GLN 35 2HE2 GLN 35 7.027 8.768 -1.583 294 H GLU 36 H GLU 36 7.679 2.160 -4.088 295 HA GLU 36 HA GLU 36 10.079 1.657 -5.493 296 1HB GLU 36 2HB GLU 36 9.412 0.751 -3.225 297 2HB GLU 36 1HB GLU 36 8.387 -0.408 -4.073 298 1HG GLU 36 2HG GLU 36 10.278 -1.374 -5.203 299 2HG GLU 36 1HG GLU 36 11.342 -0.082 -4.655 300 H TYR 37 H TYR 37 6.770 0.467 -5.945 301 HA TYR 37 HA TYR 37 7.244 -1.514 -7.852 302 1HB TYR 37 2HB TYR 37 5.049 -0.898 -6.671 303 2HB TYR 37 1HB TYR 37 4.844 0.314 -7.933 304 HD1 TYR 37 HD1 TYR 37 5.740 -3.319 -7.574 305 HD2 TYR 37 HD2 TYR 37 3.713 -0.314 -9.880 306 HE1 TYR 37 HE1 TYR 37 4.891 -5.070 -9.110 307 HE2 TYR 37 HE2 TYR 37 2.863 -2.066 -11.414 308 HH TYR 37 HH TYR 37 2.467 -4.407 -11.498 309 H LEU 38 H LEU 38 6.217 1.846 -8.501 310 HA LEU 38 HA LEU 38 6.576 1.771 -11.280 311 1HB LEU 38 2HB LEU 38 6.339 3.900 -9.215 312 2HB LEU 38 1HB LEU 38 7.010 4.376 -10.772 313 HG LEU 38 HG LEU 38 4.505 4.608 -10.619 314 1HD1 LEU 38 1HD1 LEU 38 6.010 3.952 -12.734 315 2HD1 LEU 38 2HD1 LEU 38 4.255 4.083 -12.847 316 3HD1 LEU 38 3HD1 LEU 38 5.011 2.500 -12.670 317 1HD2 LEU 38 1HD2 LEU 38 4.337 1.619 -10.883 318 2HD2 LEU 38 2HD2 LEU 38 3.103 2.762 -10.355 319 3HD2 LEU 38 3HD2 LEU 38 4.428 2.337 -9.274 320 H LYS 39 H LYS 39 8.819 2.653 -8.685 321 HA LYS 39 HA LYS 39 10.953 3.524 -10.335 322 1HB LYS 39 2HB LYS 39 10.679 2.622 -7.500 323 2HB LYS 39 1HB LYS 39 12.295 2.730 -8.196 324 1HG LYS 39 2HG LYS 39 11.704 5.086 -8.940 325 2HG LYS 39 1HG LYS 39 10.246 4.949 -7.956 326 1HD LYS 39 2HD LYS 39 13.111 4.725 -6.981 327 2HD LYS 39 1HD LYS 39 11.985 6.040 -6.643 328 1HE LYS 39 2HE LYS 39 10.456 4.241 -5.617 329 2HE LYS 39 1HE LYS 39 11.866 3.184 -5.664 330 1HZ LYS 39 1HZ LYS 39 12.326 4.092 -3.693 331 2HZ LYS 39 2HZ LYS 39 11.292 5.419 -3.935 332 3HZ LYS 39 3HZ LYS 39 12.865 5.433 -4.580 333 H GLY 40 H GLY 40 10.344 0.416 -8.722 334 1HA GLY 40 2HA GLY 40 12.534 -1.051 -9.421 335 2HA GLY 40 1HA GLY 40 10.914 -1.736 -9.341 336 H PHE 41 H PHE 41 9.537 -1.304 -11.311 337 HA PHE 41 HA PHE 41 9.401 -2.271 -13.482 338 1HB PHE 41 2HB PHE 41 8.925 0.209 -13.419 339 2HB PHE 41 1HB PHE 41 10.575 0.471 -13.982 340 HD1 PHE 41 HD1 PHE 41 7.480 -1.481 -14.827 341 HD2 PHE 41 HD2 PHE 41 11.023 0.472 -16.275 342 HE1 PHE 41 HE1 PHE 41 6.757 -1.899 -17.162 343 HE2 PHE 41 HE2 PHE 41 10.300 0.055 -18.607 344 HZ PHE 41 HZ PHE 41 8.167 -1.130 -19.053 345 H ARG 42 H ARG 42 11.429 -3.680 -12.801 346 HA ARG 42 HA ARG 42 13.317 -3.462 -15.029 347 1HB ARG 42 2HB ARG 42 14.382 -2.265 -13.134 348 2HB ARG 42 1HB ARG 42 14.227 -3.721 -12.150 349 1HG ARG 42 2HG ARG 42 15.725 -4.946 -13.553 350 2HG ARG 42 1HG ARG 42 15.669 -3.710 -14.811 351 1HD ARG 42 2HD ARG 42 16.856 -2.137 -13.419 352 2HD ARG 42 1HD ARG 42 16.738 -3.207 -12.024 353 HE ARG 42 HE ARG 42 18.119 -4.337 -14.318 354 1HH1 ARG 42 1HH2 ARG 42 18.344 -2.555 -11.349 355 2HH1 ARG 42 2HH2 ARG 42 20.018 -2.925 -11.102 356 1HH2 ARG 42 1HH1 ARG 42 20.302 -4.820 -13.990 357 2HH2 ARG 42 2HH1 ARG 42 21.124 -4.210 -12.593 Start of MODEL 18 1 1H MET 1 1HT MET 1 6.862 -9.675 -4.968 2 2H MET 1 2HT MET 1 7.042 -8.366 -6.039 3 3H MET 1 3HT MET 1 8.291 -8.760 -4.957 4 HA MET 1 HA MET 1 8.974 -9.575 -7.043 5 1HB MET 1 2HB MET 1 7.788 -11.766 -5.312 6 2HB MET 1 1HB MET 1 8.902 -12.067 -6.648 7 1HG MET 1 2HG MET 1 10.282 -11.971 -4.712 8 2HG MET 1 1HG MET 1 10.486 -10.407 -5.498 9 1HE MET 1 1HE MET 1 10.863 -8.688 -2.669 10 2HE MET 1 2HE MET 1 11.596 -10.046 -3.519 11 3HE MET 1 3HE MET 1 10.993 -10.267 -1.880 12 H ILE 2 H ILE 2 6.148 -11.651 -6.407 13 HA ILE 2 HA ILE 2 5.526 -11.814 -9.205 14 HB ILE 2 HB ILE 2 5.102 -13.615 -7.432 15 1HG1 ILE 2 2HG1 ILE 2 2.831 -12.773 -9.264 16 2HG1 ILE 2 1HG1 ILE 2 4.226 -13.739 -9.738 17 1HG2 ILE 2 1HG2 ILE 2 3.941 -11.967 -5.873 18 2HG2 ILE 2 2HG2 ILE 2 3.081 -13.483 -6.144 19 3HG2 ILE 2 3HG2 ILE 2 2.569 -12.017 -6.980 20 1HD1 ILE 2 1HD1 ILE 2 3.566 -15.467 -8.082 21 2HD1 ILE 2 2HD1 ILE 2 2.308 -15.199 -9.290 22 3HD1 ILE 2 3HD1 ILE 2 2.141 -14.512 -7.675 23 H SER 3 H SER 3 3.541 -11.147 -10.192 24 HA SER 3 HA SER 3 2.482 -8.645 -9.029 25 1HB SER 3 2HB SER 3 1.782 -8.231 -11.461 26 2HB SER 3 1HB SER 3 3.505 -8.160 -11.108 27 HG SER 3 HG SER 3 3.563 -10.411 -11.762 28 H ASN 4 H ASN 4 1.289 -10.601 -7.823 29 HA ASN 4 HA ASN 4 -1.390 -10.678 -9.006 30 1HB ASN 4 2HB ASN 4 0.272 -13.101 -8.340 31 2HB ASN 4 1HB ASN 4 -1.489 -13.166 -8.287 32 1HD2 ASN 4 1HD2 ASN 4 1.284 -13.051 -10.408 33 2HD2 ASN 4 2HD2 ASN 4 0.418 -13.118 -11.863 34 H ALA 5 H ALA 5 -0.407 -12.808 -6.411 35 HA ALA 5 HA ALA 5 -2.339 -12.033 -4.597 36 1HB ALA 5 1HB ALA 5 -0.907 -13.047 -2.850 37 2HB ALA 5 2HB ALA 5 0.439 -13.083 -3.990 38 3HB ALA 5 3HB ALA 5 -1.000 -14.058 -4.290 39 H LYS 6 H LYS 6 0.654 -10.502 -5.397 40 HA LYS 6 HA LYS 6 0.925 -8.859 -3.084 41 1HB LYS 6 2HB LYS 6 2.719 -9.426 -4.795 42 2HB LYS 6 1HB LYS 6 1.946 -8.253 -5.863 43 1HG LYS 6 2HG LYS 6 2.290 -6.473 -4.250 44 2HG LYS 6 1HG LYS 6 2.909 -7.621 -3.060 45 1HD LYS 6 2HD LYS 6 4.806 -8.151 -4.521 46 2HD LYS 6 1HD LYS 6 4.179 -7.057 -5.756 47 1HE LYS 6 2HE LYS 6 4.228 -5.317 -3.744 48 2HE LYS 6 1HE LYS 6 5.462 -6.416 -3.130 49 1HZ LYS 6 1HZ LYS 6 6.131 -4.485 -4.689 50 2HZ LYS 6 2HZ LYS 6 5.573 -5.507 -5.926 51 3HZ LYS 6 3HZ LYS 6 6.836 -6.012 -4.908 52 H ILE 7 H ILE 7 -0.361 -8.271 -6.358 53 HA ILE 7 HA ILE 7 -1.108 -5.604 -6.062 54 HB ILE 7 HB ILE 7 -2.560 -7.761 -7.620 55 1HG1 ILE 7 2HG1 ILE 7 -0.485 -5.803 -8.634 56 2HG1 ILE 7 1HG1 ILE 7 -0.047 -7.411 -8.055 57 1HG2 ILE 7 1HG2 ILE 7 -2.524 -4.735 -7.873 58 2HG2 ILE 7 2HG2 ILE 7 -3.900 -5.722 -7.381 59 3HG2 ILE 7 3HG2 ILE 7 -3.281 -5.832 -9.029 60 1HD1 ILE 7 1HD1 ILE 7 -1.644 -8.400 -9.693 61 2HD1 ILE 7 2HD1 ILE 7 -0.358 -7.482 -10.474 62 3HD1 ILE 7 3HD1 ILE 7 -1.969 -6.781 -10.314 63 H ALA 8 H ALA 8 -2.999 -8.544 -5.405 64 HA ALA 8 HA ALA 8 -5.367 -7.328 -4.544 65 1HB ALA 8 1HB ALA 8 -5.796 -9.443 -3.342 66 2HB ALA 8 2HB ALA 8 -4.116 -9.918 -3.599 67 3HB ALA 8 3HB ALA 8 -5.201 -9.730 -4.977 68 H ARG 9 H ARG 9 -2.391 -8.076 -2.783 69 HA ARG 9 HA ARG 9 -3.332 -7.434 -0.197 70 1HB ARG 9 2HB ARG 9 -1.169 -8.630 -0.774 71 2HB ARG 9 1HB ARG 9 -0.492 -7.046 -1.155 72 1HG ARG 9 2HG ARG 9 -1.474 -6.409 1.224 73 2HG ARG 9 1HG ARG 9 -1.362 -8.148 1.497 74 1HD ARG 9 2HD ARG 9 0.927 -6.413 0.530 75 2HD ARG 9 1HD ARG 9 0.696 -6.919 2.202 76 HE ARG 9 HE ARG 9 0.816 -9.049 0.201 77 1HH1 ARG 9 1HH2 ARG 9 2.408 -7.147 2.623 78 2HH1 ARG 9 2HH2 ARG 9 3.687 -8.287 2.867 79 1HH2 ARG 9 1HH1 ARG 9 2.483 -10.541 0.525 80 2HH2 ARG 9 2HH1 ARG 9 3.723 -10.215 1.690 81 H ILE 10 H ILE 10 -0.963 -5.429 -1.974 82 HA ILE 10 HA ILE 10 -1.309 -3.087 -0.583 83 HB ILE 10 HB ILE 10 -0.804 -3.357 -3.559 84 1HG1 ILE 10 2HG1 ILE 10 1.208 -2.950 -1.328 85 2HG1 ILE 10 1HG1 ILE 10 0.761 -4.554 -1.907 86 1HG2 ILE 10 1HG2 ILE 10 -0.346 -1.070 -1.616 87 2HG2 ILE 10 2HG2 ILE 10 -1.449 -1.075 -2.991 88 3HG2 ILE 10 3HG2 ILE 10 0.294 -1.119 -3.259 89 1HD1 ILE 10 1HD1 ILE 10 1.760 -2.353 -3.732 90 2HD1 ILE 10 2HD1 ILE 10 1.530 -4.055 -4.131 91 3HD1 ILE 10 3HD1 ILE 10 2.812 -3.576 -3.019 92 H ASN 11 H ASN 11 -3.220 -4.240 -3.335 93 HA ASN 11 HA ASN 11 -4.835 -1.974 -3.709 94 1HB ASN 11 2HB ASN 11 -4.775 -3.752 -5.349 95 2HB ASN 11 1HB ASN 11 -5.392 -4.913 -4.179 96 1HD2 ASN 11 1HD2 ASN 11 -7.298 -5.366 -5.478 97 2HD2 ASN 11 2HD2 ASN 11 -8.551 -4.232 -5.640 98 H GLU 12 H GLU 12 -5.842 -5.014 -2.130 99 HA GLU 12 HA GLU 12 -8.145 -3.959 -0.918 100 1HB GLU 12 2HB GLU 12 -7.496 -6.413 -1.281 101 2HB GLU 12 1HB GLU 12 -6.551 -6.266 0.199 102 1HG GLU 12 2HG GLU 12 -8.618 -7.054 0.983 103 2HG GLU 12 1HG GLU 12 -8.746 -5.315 1.234 104 H LEU 13 H LEU 13 -4.838 -4.325 0.328 105 HA LEU 13 HA LEU 13 -5.294 -3.613 2.996 106 1HB LEU 13 2HB LEU 13 -3.136 -4.465 1.813 107 2HB LEU 13 1HB LEU 13 -2.809 -2.758 1.528 108 HG LEU 13 HG LEU 13 -3.371 -3.970 4.253 109 1HD1 LEU 13 1HD1 LEU 13 -1.255 -4.818 3.488 110 2HD1 LEU 13 2HD1 LEU 13 -0.898 -3.489 4.590 111 3HD1 LEU 13 3HD1 LEU 13 -0.786 -3.244 2.848 112 1HD2 LEU 13 1HD2 LEU 13 -2.161 -1.669 4.813 113 2HD2 LEU 13 2HD2 LEU 13 -3.896 -1.715 4.503 114 3HD2 LEU 13 3HD2 LEU 13 -2.785 -1.207 3.231 115 H ALA 14 H ALA 14 -4.170 -1.501 0.339 116 HA ALA 14 HA ALA 14 -4.174 0.914 1.695 117 1HB ALA 14 1HB ALA 14 -4.203 1.982 -0.429 118 2HB ALA 14 2HB ALA 14 -5.059 0.632 -1.176 119 3HB ALA 14 3HB ALA 14 -3.378 0.443 -0.678 120 H ALA 15 H ALA 15 -6.842 -0.472 -0.221 121 HA ALA 15 HA ALA 15 -8.719 1.555 0.327 122 1HB ALA 15 1HB ALA 15 -10.356 0.054 -0.570 123 2HB ALA 15 2HB ALA 15 -9.347 -1.351 -0.222 124 3HB ALA 15 3HB ALA 15 -8.866 -0.207 -1.476 125 H LYS 16 H LYS 16 -8.009 -1.491 1.981 126 HA LYS 16 HA LYS 16 -10.153 -1.415 3.817 127 1HB LYS 16 2HB LYS 16 -8.720 -3.420 3.285 128 2HB LYS 16 1HB LYS 16 -7.457 -2.695 4.280 129 1HG LYS 16 2HG LYS 16 -8.715 -2.898 6.251 130 2HG LYS 16 1HG LYS 16 -10.242 -3.027 5.377 131 1HD LYS 16 2HD LYS 16 -9.556 -5.219 6.290 132 2HD LYS 16 1HD LYS 16 -9.580 -5.244 4.526 133 1HE LYS 16 2HE LYS 16 -7.235 -5.198 4.366 134 2HE LYS 16 1HE LYS 16 -7.040 -4.564 6.001 135 1HZ LYS 16 1HZ LYS 16 -6.804 -6.636 6.698 136 2HZ LYS 16 2HZ LYS 16 -7.107 -7.248 5.141 137 3HZ LYS 16 3HZ LYS 16 -8.393 -6.979 6.216 138 H ALA 17 H ALA 17 -6.705 -0.764 4.423 139 HA ALA 17 HA ALA 17 -6.994 0.353 6.970 140 1HB ALA 17 1HB ALA 17 -4.917 0.856 4.823 141 2HB ALA 17 2HB ALA 17 -4.812 -0.286 6.164 142 3HB ALA 17 3HB ALA 17 -4.781 1.449 6.478 143 H LYS 18 H LYS 18 -7.778 1.630 3.863 144 HA LYS 18 HA LYS 18 -7.630 4.415 4.600 145 1HB LYS 18 2HB LYS 18 -8.554 2.855 2.250 146 2HB LYS 18 1HB LYS 18 -9.305 4.431 2.487 147 1HG LYS 18 2HG LYS 18 -7.176 5.542 2.467 148 2HG LYS 18 1HG LYS 18 -6.308 4.008 2.537 149 1HD LYS 18 2HD LYS 18 -7.198 3.391 0.324 150 2HD LYS 18 1HD LYS 18 -8.083 4.913 0.250 151 1HE LYS 18 2HE LYS 18 -6.157 6.180 -0.049 152 2HE LYS 18 1HE LYS 18 -5.125 4.988 0.739 153 1HZ LYS 18 1HZ LYS 18 -5.980 5.157 -2.019 154 2HZ LYS 18 2HZ LYS 18 -6.062 3.598 -1.348 155 3HZ LYS 18 3HZ LYS 18 -4.590 4.446 -1.356 156 H ALA 19 H ALA 19 -10.480 2.473 3.682 157 HA ALA 19 HA ALA 19 -12.267 4.240 5.076 158 1HB ALA 19 1HB ALA 19 -12.798 1.497 3.907 159 2HB ALA 19 2HB ALA 19 -12.915 3.015 3.020 160 3HB ALA 19 3HB ALA 19 -14.012 2.693 4.362 161 H GLY 20 H GLY 20 -10.194 1.890 6.179 162 1HA GLY 20 2HA GLY 20 -11.967 1.010 8.367 163 2HA GLY 20 1HA GLY 20 -10.434 0.262 7.919 164 H VAL 21 H VAL 21 -8.465 1.574 8.251 165 HA VAL 21 HA VAL 21 -8.322 3.911 9.754 166 HB VAL 21 HB VAL 21 -9.328 2.926 11.646 167 1HG1 VAL 21 1HG1 VAL 21 -9.365 0.602 10.939 168 2HG1 VAL 21 2HG1 VAL 21 -8.602 0.691 12.524 169 3HG1 VAL 21 3HG1 VAL 21 -7.612 0.489 11.081 170 1HG2 VAL 21 1HG2 VAL 21 -7.668 3.167 13.247 171 2HG2 VAL 21 2HG2 VAL 21 -6.872 3.905 11.856 172 3HG2 VAL 21 3HG2 VAL 21 -6.487 2.246 12.312 173 H ILE 22 H ILE 22 -6.514 4.400 8.603 174 HA ILE 22 HA ILE 22 -4.273 2.504 8.567 175 HB ILE 22 HB ILE 22 -5.068 3.738 6.484 176 1HG1 ILE 22 2HG1 ILE 22 -2.191 4.414 7.045 177 2HG1 ILE 22 1HG1 ILE 22 -2.691 2.724 7.036 178 1HG2 ILE 22 1HG2 ILE 22 -3.480 6.070 7.520 179 2HG2 ILE 22 2HG2 ILE 22 -5.199 5.943 7.897 180 3HG2 ILE 22 3HG2 ILE 22 -4.669 6.020 6.219 181 1HD1 ILE 22 1HD1 ILE 22 -1.921 3.396 4.800 182 2HD1 ILE 22 2HD1 ILE 22 -3.104 4.703 4.775 183 3HD1 ILE 22 3HD1 ILE 22 -3.644 3.025 4.768 184 H THR 23 H THR 23 -2.381 2.822 9.636 185 HA THR 23 HA THR 23 -2.187 5.232 11.347 186 HB THR 23 HB THR 23 -1.081 3.905 13.004 187 HG1 THR 23 HG1 THR 23 -0.250 1.983 12.583 188 1HG2 THR 23 1HG2 THR 23 -3.269 2.087 12.001 189 2HG2 THR 23 2HG2 THR 23 -3.635 3.682 12.656 190 3HG2 THR 23 3HG2 THR 23 -2.842 2.475 13.667 191 H GLU 24 H GLU 24 0.166 5.639 12.036 192 HA GLU 24 HA GLU 24 1.689 6.446 9.872 193 1HB GLU 24 2HB GLU 24 2.015 7.203 12.225 194 2HB GLU 24 1HB GLU 24 2.768 5.650 12.589 195 1HG GLU 24 2HG GLU 24 4.583 6.071 11.089 196 2HG GLU 24 1HG GLU 24 3.759 7.451 10.368 197 H GLU 25 H GLU 25 1.961 3.438 11.737 198 HA GLU 25 HA GLU 25 4.215 2.346 10.477 199 1HB GLU 25 2HB GLU 25 2.953 1.524 12.559 200 2HB GLU 25 1HB GLU 25 1.859 0.720 11.436 201 1HG GLU 25 2HG GLU 25 4.864 0.339 11.402 202 2HG GLU 25 1HG GLU 25 3.759 -0.726 12.269 203 H GLU 26 H GLU 26 0.767 1.745 9.792 204 HA GLU 26 HA GLU 26 1.170 0.142 7.507 205 1HB GLU 26 2HB GLU 26 -1.153 1.782 8.504 206 2HB GLU 26 1HB GLU 26 -1.243 0.881 6.990 207 1HG GLU 26 2HG GLU 26 -0.872 -1.204 8.105 208 2HG GLU 26 1HG GLU 26 -0.413 -0.398 9.604 209 H LYS 27 H LYS 27 0.285 3.592 7.756 210 HA LYS 27 HA LYS 27 0.223 4.213 5.055 211 1HB LYS 27 2HB LYS 27 -0.107 5.638 7.347 212 2HB LYS 27 1HB LYS 27 1.442 6.273 6.794 213 1HG LYS 27 2HG LYS 27 -0.974 6.044 4.982 214 2HG LYS 27 1HG LYS 27 -0.624 7.491 5.925 215 1HD LYS 27 2HD LYS 27 1.642 7.577 4.839 216 2HD LYS 27 1HD LYS 27 1.146 6.234 3.808 217 1HE LYS 27 2HE LYS 27 -0.542 7.526 2.750 218 2HE LYS 27 1HE LYS 27 -0.471 8.780 3.987 219 1HZ LYS 27 1HZ LYS 27 0.916 8.715 1.609 220 2HZ LYS 27 2HZ LYS 27 2.073 8.379 2.803 221 3HZ LYS 27 3HZ LYS 27 1.145 9.799 2.894 222 H ALA 28 H ALA 28 3.010 4.375 7.272 223 HA ALA 28 HA ALA 28 4.903 5.314 5.431 224 1HB ALA 28 1HB ALA 28 5.404 5.297 7.790 225 2HB ALA 28 2HB ALA 28 6.581 4.266 6.974 226 3HB ALA 28 3HB ALA 28 5.239 3.542 7.859 227 H GLU 29 H GLU 29 3.849 2.022 6.184 228 HA GLU 29 HA GLU 29 5.760 0.615 4.680 229 1HB GLU 29 2HB GLU 29 4.240 -0.481 6.271 230 2HB GLU 29 1HB GLU 29 2.868 -0.110 5.227 231 1HG GLU 29 2HG GLU 29 5.155 -1.530 3.956 232 2HG GLU 29 1HG GLU 29 4.194 -2.456 5.106 233 H GLN 30 H GLN 30 2.381 1.286 3.733 234 HA GLN 30 HA GLN 30 2.511 0.521 1.087 235 1HB GLN 30 2HB GLN 30 0.955 2.960 1.922 236 2HB GLN 30 1HB GLN 30 0.521 1.728 0.736 237 1HG GLN 30 2HG GLN 30 0.718 0.140 2.884 238 2HG GLN 30 1HG GLN 30 0.340 1.645 3.715 239 1HE2 GLN 30 1HE2 GLN 30 -0.840 0.282 0.585 240 2HE2 GLN 30 2HE2 GLN 30 -2.482 0.398 0.998 241 H GLN 31 H GLN 31 3.814 3.384 2.569 242 HA GLN 31 HA GLN 31 4.063 5.101 0.394 243 1HB GLN 31 2HB GLN 31 4.689 5.413 2.908 244 2HB GLN 31 1HB GLN 31 6.273 4.822 2.404 245 1HG GLN 31 2HG GLN 31 6.309 6.588 0.626 246 2HG GLN 31 1HG GLN 31 4.803 7.224 1.281 247 1HE2 GLN 31 1HE2 GLN 31 6.420 6.074 3.944 248 2HE2 GLN 31 2HE2 GLN 31 7.242 7.488 4.401 249 H LYS 32 H LYS 32 6.480 2.731 1.565 250 HA LYS 32 HA LYS 32 8.343 3.136 -0.493 251 1HB LYS 32 2HB LYS 32 8.721 1.885 1.668 252 2HB LYS 32 1HB LYS 32 7.872 0.521 0.942 253 1HG LYS 32 2HG LYS 32 9.499 0.469 -0.904 254 2HG LYS 32 1HG LYS 32 10.344 1.853 -0.210 255 1HD LYS 32 2HD LYS 32 10.570 0.412 1.922 256 2HD LYS 32 1HD LYS 32 10.114 -0.948 0.894 257 1HE LYS 32 2HE LYS 32 12.583 -0.682 1.048 258 2HE LYS 32 1HE LYS 32 11.994 -0.490 -0.602 259 1HZ LYS 32 1HZ LYS 32 13.594 1.257 0.644 260 2HZ LYS 32 2HZ LYS 32 12.070 1.945 0.953 261 3HZ LYS 32 3HZ LYS 32 12.568 1.659 -0.646 262 H LEU 33 H LEU 33 6.065 0.382 -0.186 263 HA LEU 33 HA LEU 33 6.530 -0.731 -2.687 264 1HB LEU 33 2HB LEU 33 3.875 -0.681 -1.233 265 2HB LEU 33 1HB LEU 33 4.383 -1.847 -2.455 266 HG LEU 33 HG LEU 33 5.553 -1.458 0.315 267 1HD1 LEU 33 1HD1 LEU 33 4.315 -3.865 -1.062 268 2HD1 LEU 33 2HD1 LEU 33 3.503 -2.853 0.134 269 3HD1 LEU 33 3HD1 LEU 33 4.908 -3.811 0.598 270 1HD2 LEU 33 1HD2 LEU 33 7.012 -3.464 -0.470 271 2HD2 LEU 33 2HD2 LEU 33 7.475 -1.849 -1.008 272 3HD2 LEU 33 3HD2 LEU 33 6.609 -2.930 -2.102 273 H ARG 34 H ARG 34 3.685 1.295 -1.897 274 HA ARG 34 HA ARG 34 2.698 1.673 -4.434 275 1HB ARG 34 2HB ARG 34 1.614 2.479 -2.359 276 2HB ARG 34 1HB ARG 34 2.812 3.768 -2.253 277 1HG ARG 34 2HG ARG 34 2.059 4.736 -4.334 278 2HG ARG 34 1HG ARG 34 0.998 3.362 -4.648 279 1HD ARG 34 2HD ARG 34 -0.101 5.482 -3.689 280 2HD ARG 34 1HD ARG 34 -0.479 3.958 -2.895 281 HE ARG 34 HE ARG 34 0.722 4.675 -1.019 282 1HH1 ARG 34 1HH2 ARG 34 1.166 6.806 -3.718 283 2HH1 ARG 34 2HH2 ARG 34 1.950 8.036 -2.786 284 1HH2 ARG 34 1HH1 ARG 34 1.762 6.288 0.195 285 2HH2 ARG 34 2HH1 ARG 34 2.288 7.744 -0.580 286 H GLN 35 H GLN 35 5.306 3.510 -2.860 287 HA GLN 35 HA GLN 35 5.663 5.440 -4.885 288 1HB GLN 35 2HB GLN 35 6.703 5.859 -2.792 289 2HB GLN 35 1HB GLN 35 7.533 4.304 -2.806 290 1HG GLN 35 2HG GLN 35 9.066 4.993 -4.453 291 2HG GLN 35 1HG GLN 35 8.039 6.324 -4.983 292 1HE2 GLN 35 1HE2 GLN 35 8.714 5.634 -1.555 293 2HE2 GLN 35 2HE2 GLN 35 9.619 7.044 -1.281 294 H GLU 36 H GLU 36 7.608 2.516 -4.245 295 HA GLU 36 HA GLU 36 9.084 2.623 -6.647 296 1HB GLU 36 2HB GLU 36 8.392 0.219 -4.938 297 2HB GLU 36 1HB GLU 36 9.664 0.278 -6.158 298 1HG GLU 36 2HG GLU 36 9.603 2.289 -3.913 299 2HG GLU 36 1HG GLU 36 10.310 0.695 -3.664 300 H TYR 37 H TYR 37 6.023 1.081 -5.812 301 HA TYR 37 HA TYR 37 5.673 -0.509 -8.081 302 1HB TYR 37 2HB TYR 37 4.230 -0.372 -5.940 303 2HB TYR 37 1HB TYR 37 3.372 0.925 -6.771 304 HD1 TYR 37 HD1 TYR 37 4.665 -2.542 -7.435 305 HD2 TYR 37 HD2 TYR 37 1.557 0.343 -8.127 306 HE1 TYR 37 HE1 TYR 37 3.399 -4.222 -8.751 307 HE2 TYR 37 HE2 TYR 37 0.286 -1.337 -9.434 308 HH TYR 37 HH TYR 37 0.212 -3.432 -10.163 309 H LEU 38 H LEU 38 4.104 2.665 -7.556 310 HA LEU 38 HA LEU 38 3.301 3.013 -10.230 311 1HB LEU 38 2HB LEU 38 3.545 4.728 -7.824 312 2HB LEU 38 1HB LEU 38 3.535 5.574 -9.370 313 HG LEU 38 HG LEU 38 1.247 5.244 -8.361 314 1HD1 LEU 38 1HD1 LEU 38 1.925 5.297 -10.934 315 2HD1 LEU 38 2HD1 LEU 38 0.261 4.998 -10.432 316 3HD1 LEU 38 3HD1 LEU 38 1.300 3.649 -10.889 317 1HD2 LEU 38 1HD2 LEU 38 1.493 2.357 -9.190 318 2HD2 LEU 38 2HD2 LEU 38 0.300 3.106 -8.129 319 3HD2 LEU 38 3HD2 LEU 38 1.949 2.859 -7.561 320 H LYS 39 H LYS 39 6.208 4.096 -8.518 321 HA LYS 39 HA LYS 39 7.327 5.579 -10.658 322 1HB LYS 39 2HB LYS 39 8.005 5.814 -8.288 323 2HB LYS 39 1HB LYS 39 8.747 4.218 -8.359 324 1HG LYS 39 2HG LYS 39 10.233 5.008 -10.182 325 2HG LYS 39 1HG LYS 39 9.514 6.616 -10.052 326 1HD LYS 39 2HD LYS 39 10.201 6.643 -7.627 327 2HD LYS 39 1HD LYS 39 11.074 5.136 -7.915 328 1HE LYS 39 2HE LYS 39 11.562 7.599 -9.596 329 2HE LYS 39 1HE LYS 39 12.430 7.317 -8.086 330 1HZ LYS 39 1HZ LYS 39 12.319 5.100 -9.974 331 2HZ LYS 39 2HZ LYS 39 13.581 5.600 -8.953 332 3HZ LYS 39 3HZ LYS 39 13.290 6.421 -10.411 333 H GLY 40 H GLY 40 7.274 2.167 -9.945 334 1HA GLY 40 2HA GLY 40 9.347 1.635 -11.973 335 2HA GLY 40 1HA GLY 40 8.730 0.471 -10.805 336 H PHE 41 H PHE 41 5.992 0.800 -11.163 337 HA PHE 41 HA PHE 41 5.493 -0.814 -13.442 338 1HB PHE 41 2HB PHE 41 4.143 -0.619 -11.244 339 2HB PHE 41 1HB PHE 41 3.382 0.783 -11.993 340 HD1 PHE 41 HD1 PHE 41 1.477 0.446 -13.291 341 HD2 PHE 41 HD2 PHE 41 4.267 -2.784 -12.790 342 HE1 PHE 41 HE1 PHE 41 -0.036 -1.059 -14.553 343 HE2 PHE 41 HE2 PHE 41 2.751 -4.287 -14.051 344 HZ PHE 41 HZ PHE 41 0.602 -3.425 -14.934 345 H ARG 42 H ARG 42 6.605 0.635 -15.010 346 HA ARG 42 HA ARG 42 5.506 3.154 -15.737 347 1HB ARG 42 2HB ARG 42 7.231 1.210 -17.294 348 2HB ARG 42 1HB ARG 42 6.863 2.857 -17.808 349 1HG ARG 42 2HG ARG 42 7.776 3.594 -15.515 350 2HG ARG 42 1HG ARG 42 8.442 1.965 -15.392 351 1HD ARG 42 2HD ARG 42 10.228 2.957 -16.429 352 2HD ARG 42 1HD ARG 42 9.289 2.576 -17.869 353 HE ARG 42 HE ARG 42 8.755 5.176 -16.656 354 1HH1 ARG 42 1HH2 ARG 42 10.485 3.318 -19.022 355 2HH1 ARG 42 2HH2 ARG 42 10.825 4.679 -20.034 356 1HH2 ARG 42 1HH1 ARG 42 9.215 6.957 -17.980 357 2HH2 ARG 42 2HH1 ARG 42 10.109 6.735 -19.447 Start of MODEL 19 1 1H MET 1 1HT MET 1 1.230 -4.299 -14.569 2 2H MET 1 2HT MET 1 2.192 -3.374 -15.618 3 3H MET 1 3HT MET 1 2.744 -3.732 -14.053 4 HA MET 1 HA MET 1 2.770 -5.359 -16.454 5 1HB MET 1 2HB MET 1 4.407 -5.462 -13.899 6 2HB MET 1 1HB MET 1 4.827 -6.172 -15.458 7 1HG MET 1 2HG MET 1 4.614 -3.226 -14.780 8 2HG MET 1 1HG MET 1 6.060 -4.111 -15.259 9 1HE MET 1 1HE MET 1 6.356 -5.349 -17.086 10 2HE MET 1 2HE MET 1 6.261 -4.556 -18.655 11 3HE MET 1 3HE MET 1 5.069 -5.778 -18.221 12 H ILE 2 H ILE 2 3.749 -7.105 -13.772 13 HA ILE 2 HA ILE 2 1.744 -9.100 -14.137 14 HB ILE 2 HB ILE 2 4.132 -9.486 -13.388 15 1HG1 ILE 2 2HG1 ILE 2 2.083 -10.645 -11.478 16 2HG1 ILE 2 1HG1 ILE 2 2.173 -11.130 -13.171 17 1HG2 ILE 2 1HG2 ILE 2 4.694 -9.170 -11.069 18 2HG2 ILE 2 2HG2 ILE 2 3.042 -8.705 -10.668 19 3HG2 ILE 2 3HG2 ILE 2 4.045 -7.637 -11.651 20 1HD1 ILE 2 1HD1 ILE 2 3.483 -12.708 -11.905 21 2HD1 ILE 2 2HD1 ILE 2 4.339 -11.410 -11.071 22 3HD1 ILE 2 3HD1 ILE 2 4.612 -11.684 -12.791 23 H SER 3 H SER 3 0.308 -9.915 -12.456 24 HA SER 3 HA SER 3 -0.390 -8.141 -10.266 25 1HB SER 3 2HB SER 3 -2.774 -7.955 -11.026 26 2HB SER 3 1HB SER 3 -1.636 -7.056 -12.025 27 HG SER 3 HG SER 3 -1.864 -8.501 -13.610 28 H ASN 4 H ASN 4 -0.414 -9.598 -8.691 29 HA ASN 4 HA ASN 4 -2.323 -11.786 -8.809 30 1HB ASN 4 2HB ASN 4 -0.756 -13.540 -8.312 31 2HB ASN 4 1HB ASN 4 -0.175 -12.708 -9.752 32 1HD2 ASN 4 1HD2 ASN 4 1.345 -10.689 -9.060 33 2HD2 ASN 4 2HD2 ASN 4 2.522 -11.080 -7.902 34 H ALA 5 H ALA 5 -1.097 -13.104 -6.502 35 HA ALA 5 HA ALA 5 -2.416 -11.952 -4.395 36 1HB ALA 5 1HB ALA 5 -0.818 -13.182 -2.921 37 2HB ALA 5 2HB ALA 5 0.175 -13.516 -4.339 38 3HB ALA 5 3HB ALA 5 -1.459 -14.172 -4.233 39 H LYS 6 H LYS 6 0.534 -10.886 -5.843 40 HA LYS 6 HA LYS 6 1.571 -9.386 -3.656 41 1HB LYS 6 2HB LYS 6 1.977 -8.999 -6.633 42 2HB LYS 6 1HB LYS 6 2.971 -8.298 -5.355 43 1HG LYS 6 2HG LYS 6 3.409 -10.676 -4.553 44 2HG LYS 6 1HG LYS 6 2.653 -11.231 -6.046 45 1HD LYS 6 2HD LYS 6 4.348 -10.337 -7.395 46 2HD LYS 6 1HD LYS 6 4.867 -9.196 -6.155 47 1HE LYS 6 2HE LYS 6 5.883 -10.931 -4.853 48 2HE LYS 6 1HE LYS 6 5.132 -12.193 -5.828 49 1HZ LYS 6 1HZ LYS 6 7.356 -11.991 -6.557 50 2HZ LYS 6 2HZ LYS 6 7.258 -10.297 -6.651 51 3HZ LYS 6 3HZ LYS 6 6.400 -11.263 -7.754 52 H ILE 7 H ILE 7 0.318 -8.029 -6.707 53 HA ILE 7 HA ILE 7 -0.186 -5.472 -5.694 54 HB ILE 7 HB ILE 7 -1.241 -7.002 -8.060 55 1HG1 ILE 7 2HG1 ILE 7 0.059 -5.383 -9.307 56 2HG1 ILE 7 1HG1 ILE 7 0.317 -4.405 -7.865 57 1HG2 ILE 7 1HG2 ILE 7 -2.264 -4.758 -8.760 58 2HG2 ILE 7 2HG2 ILE 7 -2.125 -4.285 -7.066 59 3HG2 ILE 7 3HG2 ILE 7 -3.137 -5.658 -7.520 60 1HD1 ILE 7 1HD1 ILE 7 1.287 -7.263 -8.112 61 2HD1 ILE 7 2HD1 ILE 7 1.724 -6.084 -6.876 62 3HD1 ILE 7 3HD1 ILE 7 2.280 -5.868 -8.535 63 H ALA 8 H ALA 8 -2.274 -8.329 -5.824 64 HA ALA 8 HA ALA 8 -4.703 -7.169 -5.078 65 1HB ALA 8 1HB ALA 8 -3.503 -9.893 -4.812 66 2HB ALA 8 2HB ALA 8 -4.950 -9.386 -5.680 67 3HB ALA 8 3HB ALA 8 -4.986 -9.545 -3.923 68 H ARG 9 H ARG 9 -2.072 -8.429 -3.055 69 HA ARG 9 HA ARG 9 -3.276 -8.019 -0.547 70 1HB ARG 9 2HB ARG 9 -1.226 -9.366 -0.909 71 2HB ARG 9 1HB ARG 9 -0.332 -7.889 -1.257 72 1HG ARG 9 2HG ARG 9 0.069 -8.422 1.053 73 2HG ARG 9 1HG ARG 9 -1.030 -7.043 1.028 74 1HD ARG 9 2HD ARG 9 -1.619 -8.973 2.628 75 2HD ARG 9 1HD ARG 9 -2.906 -8.380 1.582 76 HE ARG 9 HE ARG 9 -1.408 -10.596 0.465 77 1HH1 ARG 9 1HH2 ARG 9 -4.047 -9.592 2.474 78 2HH1 ARG 9 2HH2 ARG 9 -4.934 -11.066 2.276 79 1HH2 ARG 9 1HH1 ARG 9 -2.570 -12.528 0.207 80 2HH2 ARG 9 2HH1 ARG 9 -4.103 -12.723 0.989 81 H ILE 10 H ILE 10 -0.635 -6.050 -1.907 82 HA ILE 10 HA ILE 10 -0.897 -3.893 -0.184 83 HB ILE 10 HB ILE 10 0.606 -2.756 -1.547 84 1HG1 ILE 10 2HG1 ILE 10 -0.641 -4.220 -3.890 85 2HG1 ILE 10 1HG1 ILE 10 -0.772 -2.501 -3.533 86 1HG2 ILE 10 1HG2 ILE 10 2.235 -4.348 -2.068 87 2HG2 ILE 10 2HG2 ILE 10 1.054 -5.492 -2.705 88 3HG2 ILE 10 3HG2 ILE 10 1.195 -5.248 -0.966 89 1HD1 ILE 10 1HD1 ILE 10 1.527 -4.036 -4.661 90 2HD1 ILE 10 2HD1 ILE 10 1.899 -2.674 -3.606 91 3HD1 ILE 10 3HD1 ILE 10 0.948 -2.419 -5.069 92 H ASN 11 H ASN 11 -2.646 -4.541 -3.192 93 HA ASN 11 HA ASN 11 -3.855 -2.006 -3.498 94 1HB ASN 11 2HB ASN 11 -3.961 -3.558 -5.324 95 2HB ASN 11 1HB ASN 11 -4.768 -4.767 -4.328 96 1HD2 ASN 11 1HD2 ASN 11 -6.879 -4.903 -5.121 97 2HD2 ASN 11 2HD2 ASN 11 -7.883 -3.569 -5.425 98 H GLU 12 H GLU 12 -5.323 -4.995 -2.212 99 HA GLU 12 HA GLU 12 -7.639 -3.825 -1.174 100 1HB GLU 12 2HB GLU 12 -6.783 -6.362 -1.413 101 2HB GLU 12 1HB GLU 12 -6.460 -6.126 0.302 102 1HG GLU 12 2HG GLU 12 -9.125 -5.586 -1.044 103 2HG GLU 12 1HG GLU 12 -8.739 -7.034 -0.120 104 H LEU 13 H LEU 13 -4.541 -4.542 0.451 105 HA LEU 13 HA LEU 13 -5.222 -3.625 3.004 106 1HB LEU 13 2HB LEU 13 -3.014 -4.762 2.000 107 2HB LEU 13 1HB LEU 13 -2.461 -3.088 2.010 108 HG LEU 13 HG LEU 13 -3.503 -4.681 4.376 109 1HD1 LEU 13 1HD1 LEU 13 -0.820 -3.344 3.907 110 2HD1 LEU 13 2HD1 LEU 13 -1.127 -5.057 3.619 111 3HD1 LEU 13 3HD1 LEU 13 -1.257 -4.399 5.250 112 1HD2 LEU 13 1HD2 LEU 13 -4.327 -2.476 4.724 113 2HD2 LEU 13 2HD2 LEU 13 -2.876 -1.739 4.044 114 3HD2 LEU 13 3HD2 LEU 13 -2.809 -2.525 5.620 115 H ALA 14 H ALA 14 -3.639 -1.858 0.333 116 HA ALA 14 HA ALA 14 -3.414 0.627 1.568 117 1HB ALA 14 1HB ALA 14 -3.394 1.569 -0.719 118 2HB ALA 14 2HB ALA 14 -3.947 0.017 -1.349 119 3HB ALA 14 3HB ALA 14 -2.364 0.146 -0.581 120 H ALA 15 H ALA 15 -6.042 -0.466 -0.592 121 HA ALA 15 HA ALA 15 -7.689 1.792 -0.234 122 1HB ALA 15 1HB ALA 15 -8.174 -1.033 -1.138 123 2HB ALA 15 2HB ALA 15 -8.233 0.460 -2.076 124 3HB ALA 15 3HB ALA 15 -9.522 0.084 -0.932 125 H LYS 16 H LYS 16 -7.536 -1.297 1.481 126 HA LYS 16 HA LYS 16 -9.799 -0.914 3.134 127 1HB LYS 16 2HB LYS 16 -8.897 -3.125 2.916 128 2HB LYS 16 1HB LYS 16 -7.313 -2.600 3.485 129 1HG LYS 16 2HG LYS 16 -8.098 -2.272 5.702 130 2HG LYS 16 1HG LYS 16 -9.786 -2.308 5.195 131 1HD LYS 16 2HD LYS 16 -9.520 -4.699 4.562 132 2HD LYS 16 1HD LYS 16 -7.860 -4.653 5.153 133 1HE LYS 16 2HE LYS 16 -10.280 -3.996 6.858 134 2HE LYS 16 1HE LYS 16 -9.502 -5.576 6.820 135 1HZ LYS 16 1HZ LYS 16 -7.825 -3.222 7.290 136 2HZ LYS 16 2HZ LYS 16 -7.662 -4.805 7.884 137 3HZ LYS 16 3HZ LYS 16 -8.815 -3.757 8.559 138 H ALA 17 H ALA 17 -6.337 -0.659 3.966 139 HA ALA 17 HA ALA 17 -6.684 0.520 6.480 140 1HB ALA 17 1HB ALA 17 -4.328 1.301 6.198 141 2HB ALA 17 2HB ALA 17 -4.395 0.779 4.515 142 3HB ALA 17 3HB ALA 17 -4.540 -0.406 5.814 143 H LYS 18 H LYS 18 -7.211 1.793 3.354 144 HA LYS 18 HA LYS 18 -6.803 4.574 4.120 145 1HB LYS 18 2HB LYS 18 -6.356 3.979 1.819 146 2HB LYS 18 1HB LYS 18 -7.977 3.314 1.631 147 1HG LYS 18 2HG LYS 18 -8.993 5.454 1.797 148 2HG LYS 18 1HG LYS 18 -7.518 6.192 2.423 149 1HD LYS 18 2HD LYS 18 -6.398 5.874 0.277 150 2HD LYS 18 1HD LYS 18 -7.803 5.017 -0.358 151 1HE LYS 18 2HE LYS 18 -7.922 7.297 -1.156 152 2HE LYS 18 1HE LYS 18 -9.167 7.096 0.078 153 1HZ LYS 18 1HZ LYS 18 -6.460 8.196 0.603 154 2HZ LYS 18 2HZ LYS 18 -7.766 8.132 1.689 155 3HZ LYS 18 3HZ LYS 18 -7.838 9.147 0.330 156 H ALA 19 H ALA 19 -9.659 2.869 2.806 157 HA ALA 19 HA ALA 19 -11.474 4.772 3.966 158 1HB ALA 19 1HB ALA 19 -11.957 3.587 1.842 159 2HB ALA 19 2HB ALA 19 -13.223 3.335 3.044 160 3HB ALA 19 3HB ALA 19 -12.040 2.066 2.729 161 H GLY 20 H GLY 20 -9.702 2.352 5.331 162 1HA GLY 20 2HA GLY 20 -11.786 1.533 7.250 163 2HA GLY 20 1HA GLY 20 -10.233 0.739 7.021 164 H VAL 21 H VAL 21 -8.284 1.984 7.668 165 HA VAL 21 HA VAL 21 -8.578 4.213 9.475 166 HB VAL 21 HB VAL 21 -7.427 2.867 11.368 167 1HG1 VAL 21 1HG1 VAL 21 -10.298 2.088 10.887 168 2HG1 VAL 21 2HG1 VAL 21 -9.854 3.762 11.219 169 3HG1 VAL 21 3HG1 VAL 21 -9.508 2.508 12.407 170 1HG2 VAL 21 1HG2 VAL 21 -6.996 0.817 10.108 171 2HG2 VAL 21 2HG2 VAL 21 -8.714 0.635 9.760 172 3HG2 VAL 21 3HG2 VAL 21 -8.126 0.469 11.414 173 H ILE 22 H ILE 22 -7.061 5.197 8.130 174 HA ILE 22 HA ILE 22 -4.493 3.934 7.653 175 HB ILE 22 HB ILE 22 -5.635 5.425 5.985 176 1HG1 ILE 22 2HG1 ILE 22 -3.450 6.899 5.689 177 2HG1 ILE 22 1HG1 ILE 22 -2.837 5.870 6.984 178 1HG2 ILE 22 1HG2 ILE 22 -6.213 7.080 7.973 179 2HG2 ILE 22 2HG2 ILE 22 -5.931 7.697 6.344 180 3HG2 ILE 22 3HG2 ILE 22 -4.650 7.783 7.551 181 1HD1 ILE 22 1HD1 ILE 22 -3.705 5.105 4.211 182 2HD1 ILE 22 2HD1 ILE 22 -3.782 3.913 5.509 183 3HD1 ILE 22 3HD1 ILE 22 -2.239 4.652 5.081 184 H THR 23 H THR 23 -2.725 4.139 8.872 185 HA THR 23 HA THR 23 -2.559 6.360 10.806 186 HB THR 23 HB THR 23 -1.738 3.555 11.549 187 HG1 THR 23 HG1 THR 23 -4.175 4.794 12.256 188 1HG2 THR 23 1HG2 THR 23 -2.219 4.617 13.855 189 2HG2 THR 23 2HG2 THR 23 -2.227 6.157 12.997 190 3HG2 THR 23 3HG2 THR 23 -0.775 5.158 12.999 191 H GLU 24 H GLU 24 -0.432 6.879 11.486 192 HA GLU 24 HA GLU 24 1.481 7.134 9.552 193 1HB GLU 24 2HB GLU 24 2.988 7.794 11.250 194 2HB GLU 24 1HB GLU 24 1.394 8.186 11.891 195 1HG GLU 24 2HG GLU 24 1.420 5.897 13.016 196 2HG GLU 24 1HG GLU 24 3.125 5.797 12.582 197 H GLU 25 H GLU 25 1.123 4.453 11.830 198 HA GLU 25 HA GLU 25 3.505 3.085 11.270 199 1HB GLU 25 2HB GLU 25 0.849 1.820 11.973 200 2HB GLU 25 1HB GLU 25 2.462 1.181 12.300 201 1HG GLU 25 2HG GLU 25 2.881 3.296 13.667 202 2HG GLU 25 1HG GLU 25 1.156 3.623 13.522 203 H GLU 26 H GLU 26 0.242 2.500 9.924 204 HA GLU 26 HA GLU 26 1.107 0.605 7.999 205 1HB GLU 26 2HB GLU 26 -1.305 2.389 7.667 206 2HB GLU 26 1HB GLU 26 -1.074 0.739 7.090 207 1HG GLU 26 2HG GLU 26 -0.777 0.219 9.672 208 2HG GLU 26 1HG GLU 26 -1.701 1.709 9.857 209 H LYS 27 H LYS 27 0.696 4.112 7.938 210 HA LYS 27 HA LYS 27 0.985 4.626 5.221 211 1HB LYS 27 2HB LYS 27 0.504 6.299 7.080 212 2HB LYS 27 1HB LYS 27 2.237 6.308 7.403 213 1HG LYS 27 2HG LYS 27 2.091 8.070 5.900 214 2HG LYS 27 1HG LYS 27 2.391 6.737 4.789 215 1HD LYS 27 2HD LYS 27 0.539 7.651 3.761 216 2HD LYS 27 1HD LYS 27 -0.280 6.559 4.879 217 1HE LYS 27 2HE LYS 27 -1.403 8.526 5.353 218 2HE LYS 27 1HE LYS 27 -0.087 8.643 6.518 219 1HZ LYS 27 1HZ LYS 27 -0.038 9.826 3.795 220 2HZ LYS 27 2HZ LYS 27 1.138 10.021 5.007 221 3HZ LYS 27 3HZ LYS 27 -0.413 10.687 5.207 222 H ALA 28 H ALA 28 3.487 4.165 7.699 223 HA ALA 28 HA ALA 28 5.737 4.630 6.069 224 1HB ALA 28 1HB ALA 28 6.714 2.847 7.825 225 2HB ALA 28 2HB ALA 28 5.214 3.255 8.658 226 3HB ALA 28 3HB ALA 28 6.378 4.521 8.270 227 H GLU 29 H GLU 29 4.094 1.599 6.949 228 HA GLU 29 HA GLU 29 5.670 -0.156 5.434 229 1HB GLU 29 2HB GLU 29 3.849 -0.671 7.187 230 2HB GLU 29 1HB GLU 29 2.705 -0.525 5.856 231 1HG GLU 29 2HG GLU 29 5.123 -2.331 5.708 232 2HG GLU 29 1HG GLU 29 3.577 -2.881 6.351 233 H GLN 30 H GLN 30 2.377 0.891 4.581 234 HA GLN 30 HA GLN 30 2.306 0.038 1.966 235 1HB GLN 30 2HB GLN 30 1.023 2.600 2.921 236 2HB GLN 30 1HB GLN 30 0.457 1.524 1.644 237 1HG GLN 30 2HG GLN 30 0.751 -0.088 3.956 238 2HG GLN 30 1HG GLN 30 -0.050 1.387 4.487 239 1HE2 GLN 30 1HE2 GLN 30 -0.269 -0.849 1.652 240 2HE2 GLN 30 2HE2 GLN 30 -1.965 -0.879 1.631 241 H GLN 31 H GLN 31 4.111 2.715 3.228 242 HA GLN 31 HA GLN 31 4.285 4.400 1.011 243 1HB GLN 31 2HB GLN 31 5.226 4.845 3.306 244 2HB GLN 31 1HB GLN 31 6.574 3.788 2.888 245 1HG GLN 31 2HG GLN 31 7.323 5.224 1.167 246 2HG GLN 31 1HG GLN 31 5.788 6.083 1.097 247 1HE2 GLN 31 1HE2 GLN 31 8.111 7.604 1.374 248 2HE2 GLN 31 2HE2 GLN 31 8.187 8.253 2.943 249 H LYS 32 H LYS 32 6.310 1.588 1.829 250 HA LYS 32 HA LYS 32 8.097 1.753 -0.332 251 1HB LYS 32 2HB LYS 32 7.187 -0.429 1.499 252 2HB LYS 32 1HB LYS 32 8.123 -0.866 0.071 253 1HG LYS 32 2HG LYS 32 9.583 -0.480 2.032 254 2HG LYS 32 1HG LYS 32 9.912 0.674 0.744 255 1HD LYS 32 2HD LYS 32 8.579 2.379 1.870 256 2HD LYS 32 1HD LYS 32 8.104 1.228 3.120 257 1HE LYS 32 2HE LYS 32 10.886 2.295 2.570 258 2HE LYS 32 1HE LYS 32 9.908 2.562 4.010 259 1HZ LYS 32 1HZ LYS 32 11.050 0.832 4.809 260 2HZ LYS 32 2HZ LYS 32 11.527 0.286 3.273 261 3HZ LYS 32 3HZ LYS 32 9.995 -0.120 3.885 262 H LEU 33 H LEU 33 5.488 -0.638 -0.031 263 HA LEU 33 HA LEU 33 5.436 -1.511 -2.651 264 1HB LEU 33 2HB LEU 33 2.726 -1.380 -1.673 265 2HB LEU 33 1HB LEU 33 3.755 -2.790 -1.892 266 HG LEU 33 HG LEU 33 3.856 -0.959 0.530 267 1HD1 LEU 33 1HD1 LEU 33 2.833 -3.052 1.632 268 2HD1 LEU 33 2HD1 LEU 33 2.407 -3.550 -0.001 269 3HD1 LEU 33 3HD1 LEU 33 1.761 -2.049 0.657 270 1HD2 LEU 33 1HD2 LEU 33 5.554 -2.284 1.321 271 2HD2 LEU 33 2HD2 LEU 33 5.816 -2.628 -0.386 272 3HD2 LEU 33 3HD2 LEU 33 4.884 -3.749 0.605 273 H ARG 34 H ARG 34 3.809 1.290 -1.231 274 HA ARG 34 HA ARG 34 2.247 2.008 -3.467 275 1HB ARG 34 2HB ARG 34 1.771 3.047 -1.363 276 2HB ARG 34 1HB ARG 34 3.421 3.655 -1.218 277 1HG ARG 34 2HG ARG 34 3.105 5.290 -2.867 278 2HG ARG 34 1HG ARG 34 1.735 4.439 -3.583 279 1HD ARG 34 2HD ARG 34 1.109 6.496 -2.253 280 2HD ARG 34 1HD ARG 34 0.303 5.017 -1.738 281 HE ARG 34 HE ARG 34 1.410 5.195 0.293 282 1HH1 ARG 34 1HH2 ARG 34 2.966 7.149 -2.108 283 2HH1 ARG 34 2HH2 ARG 34 4.038 7.914 -0.984 284 1HH2 ARG 34 1HH1 ARG 34 2.816 6.181 1.765 285 2HH2 ARG 34 2HH1 ARG 34 3.956 7.364 1.212 286 H GLN 35 H GLN 35 5.513 2.981 -2.458 287 HA GLN 35 HA GLN 35 6.029 4.791 -4.537 288 1HB GLN 35 2HB GLN 35 7.414 4.219 -2.391 289 2HB GLN 35 1HB GLN 35 8.196 3.030 -3.434 290 1HG GLN 35 2HG GLN 35 9.541 4.937 -3.725 291 2HG GLN 35 1HG GLN 35 8.458 5.004 -5.112 292 1HE2 GLN 35 1HE2 GLN 35 9.686 7.382 -4.158 293 2HE2 GLN 35 2HE2 GLN 35 8.495 8.373 -3.466 294 H GLU 36 H GLU 36 6.096 1.291 -4.444 295 HA GLU 36 HA GLU 36 7.611 0.840 -6.794 296 1HB GLU 36 2HB GLU 36 6.599 -0.792 -4.899 297 2HB GLU 36 1HB GLU 36 5.387 -1.032 -6.154 298 1HG GLU 36 2HG GLU 36 8.363 -1.249 -6.677 299 2HG GLU 36 1HG GLU 36 7.366 -2.630 -6.230 300 H TYR 37 H TYR 37 4.068 0.745 -6.304 301 HA TYR 37 HA TYR 37 3.282 0.486 -8.945 302 1HB TYR 37 2HB TYR 37 1.870 0.526 -6.750 303 2HB TYR 37 1HB TYR 37 1.727 2.254 -7.077 304 HD1 TYR 37 HD1 TYR 37 0.889 2.988 -9.380 305 HD2 TYR 37 HD2 TYR 37 0.558 -1.046 -7.941 306 HE1 TYR 37 HE1 TYR 37 -0.849 2.521 -11.084 307 HE2 TYR 37 HE2 TYR 37 -1.181 -1.511 -9.648 308 HH TYR 37 HH TYR 37 -1.971 0.833 -12.149 309 H LEU 38 H LEU 38 3.630 3.553 -7.132 310 HA LEU 38 HA LEU 38 3.056 5.288 -9.255 311 1HB LEU 38 2HB LEU 38 4.993 5.834 -6.995 312 2HB LEU 38 1HB LEU 38 4.119 7.023 -7.957 313 HG LEU 38 HG LEU 38 2.904 4.996 -6.059 314 1HD1 LEU 38 1HD1 LEU 38 3.674 6.760 -4.737 315 2HD1 LEU 38 2HD1 LEU 38 2.033 7.281 -5.112 316 3HD1 LEU 38 3HD1 LEU 38 3.400 7.959 -5.999 317 1HD2 LEU 38 1HD2 LEU 38 0.817 6.508 -6.683 318 2HD2 LEU 38 2HD2 LEU 38 1.258 5.133 -7.696 319 3HD2 LEU 38 3HD2 LEU 38 1.721 6.767 -8.175 320 H LYS 39 H LYS 39 6.295 4.270 -8.077 321 HA LYS 39 HA LYS 39 7.710 5.561 -10.164 322 1HB LYS 39 2HB LYS 39 8.607 4.614 -7.928 323 2HB LYS 39 1HB LYS 39 8.708 3.076 -8.785 324 1HG LYS 39 2HG LYS 39 10.109 4.150 -10.526 325 2HG LYS 39 1HG LYS 39 10.025 5.674 -9.643 326 1HD LYS 39 2HD LYS 39 12.009 4.877 -8.788 327 2HD LYS 39 1HD LYS 39 10.900 4.124 -7.642 328 1HE LYS 39 2HE LYS 39 10.868 2.225 -9.545 329 2HE LYS 39 1HE LYS 39 12.470 2.890 -9.856 330 1HZ LYS 39 1HZ LYS 39 12.653 1.146 -8.254 331 2HZ LYS 39 2HZ LYS 39 11.450 1.838 -7.276 332 3HZ LYS 39 3HZ LYS 39 12.948 2.617 -7.465 333 H GLY 40 H GLY 40 5.706 2.856 -10.180 334 1HA GLY 40 2HA GLY 40 7.006 1.571 -12.474 335 2HA GLY 40 1HA GLY 40 5.623 0.952 -11.574 336 H PHE 41 H PHE 41 4.717 3.984 -11.845 337 HA PHE 41 HA PHE 41 2.777 3.569 -13.832 338 1HB PHE 41 2HB PHE 41 3.019 5.405 -11.931 339 2HB PHE 41 1HB PHE 41 3.738 6.341 -13.240 340 HD1 PHE 41 HD1 PHE 41 2.415 7.063 -15.154 341 HD2 PHE 41 HD2 PHE 41 0.677 4.654 -12.048 342 HE1 PHE 41 HE1 PHE 41 0.149 7.551 -16.041 343 HE2 PHE 41 HE2 PHE 41 -1.588 5.143 -12.935 344 HZ PHE 41 HZ PHE 41 -1.851 6.594 -14.931 345 H ARG 42 H ARG 42 2.591 4.385 -15.957 346 HA ARG 42 HA ARG 42 4.949 4.192 -17.519 347 1HB ARG 42 2HB ARG 42 2.133 5.081 -18.133 348 2HB ARG 42 1HB ARG 42 3.394 5.045 -19.363 349 1HG ARG 42 2HG ARG 42 3.205 2.589 -17.732 350 2HG ARG 42 1HG ARG 42 1.797 2.909 -18.743 351 1HD ARG 42 2HD ARG 42 3.713 1.550 -19.800 352 2HD ARG 42 1HD ARG 42 3.074 2.901 -20.729 353 HE ARG 42 HE ARG 42 5.069 4.096 -20.312 354 1HH1 ARG 42 1HH2 ARG 42 4.973 1.038 -18.674 355 2HH1 ARG 42 2HH2 ARG 42 6.669 1.024 -18.324 356 1HH2 ARG 42 1HH1 ARG 42 7.280 4.081 -19.837 357 2HH2 ARG 42 2HH1 ARG 42 7.974 2.744 -18.986 Start of MODEL 20 1 1H MET 1 1HT MET 1 -0.642 -6.860 -17.508 2 2H MET 1 2HT MET 1 -2.071 -5.941 -17.477 3 3H MET 1 3HT MET 1 -2.004 -7.385 -18.371 4 HA MET 1 HA MET 1 -2.746 -7.023 -15.688 5 1HB MET 1 2HB MET 1 -2.390 -9.499 -17.410 6 2HB MET 1 1HB MET 1 -3.300 -9.432 -15.900 7 1HG MET 1 2HG MET 1 -5.048 -8.271 -16.843 8 2HG MET 1 1HG MET 1 -4.011 -7.433 -17.997 9 1HE MET 1 1HE MET 1 -6.359 -9.105 -20.409 10 2HE MET 1 2HE MET 1 -6.040 -7.725 -19.361 11 3HE MET 1 3HE MET 1 -6.992 -9.080 -18.758 12 H ILE 2 H ILE 2 -2.132 -8.904 -14.099 13 HA ILE 2 HA ILE 2 0.729 -9.517 -14.158 14 HB ILE 2 HB ILE 2 0.426 -8.831 -11.512 15 1HG1 ILE 2 2HG1 ILE 2 -0.434 -6.465 -11.593 16 2HG1 ILE 2 1HG1 ILE 2 -1.052 -6.792 -13.211 17 1HG2 ILE 2 1HG2 ILE 2 1.418 -7.007 -13.722 18 2HG2 ILE 2 2HG2 ILE 2 2.330 -8.369 -13.074 19 3HG2 ILE 2 3HG2 ILE 2 1.934 -6.999 -12.036 20 1HD1 ILE 2 1HD1 ILE 2 -1.788 -8.697 -11.025 21 2HD1 ILE 2 2HD1 ILE 2 -2.721 -8.195 -12.436 22 3HD1 ILE 2 3HD1 ILE 2 -2.577 -7.120 -11.046 23 H SER 3 H SER 3 -2.424 -9.912 -12.624 24 HA SER 3 HA SER 3 -3.417 -11.694 -11.576 25 1HB SER 3 2HB SER 3 -3.109 -13.014 -13.498 26 2HB SER 3 1HB SER 3 -1.362 -13.062 -13.303 27 HG SER 3 HG SER 3 -1.576 -14.505 -11.685 28 H ASN 4 H ASN 4 -0.478 -10.547 -10.800 29 HA ASN 4 HA ASN 4 0.466 -12.516 -8.942 30 1HB ASN 4 2HB ASN 4 1.125 -9.576 -9.212 31 2HB ASN 4 1HB ASN 4 2.000 -10.730 -8.207 32 1HD2 ASN 4 1HD2 ASN 4 2.404 -9.182 -11.028 33 2HD2 ASN 4 2HD2 ASN 4 3.193 -10.378 -11.935 34 H ALA 5 H ALA 5 0.098 -12.716 -6.810 35 HA ALA 5 HA ALA 5 -2.218 -11.580 -5.634 36 1HB ALA 5 1HB ALA 5 -1.104 -13.758 -4.975 37 2HB ALA 5 2HB ALA 5 -1.543 -12.711 -3.624 38 3HB ALA 5 3HB ALA 5 0.133 -12.798 -4.167 39 H LYS 6 H LYS 6 0.755 -10.259 -6.306 40 HA LYS 6 HA LYS 6 1.302 -8.659 -4.039 41 1HB LYS 6 2HB LYS 6 2.827 -9.161 -6.034 42 2HB LYS 6 1HB LYS 6 1.921 -7.921 -6.906 43 1HG LYS 6 2HG LYS 6 2.564 -6.225 -5.330 44 2HG LYS 6 1HG LYS 6 3.228 -7.423 -4.216 45 1HD LYS 6 2HD LYS 6 4.895 -8.051 -5.994 46 2HD LYS 6 1HD LYS 6 4.301 -6.700 -6.958 47 1HE LYS 6 2HE LYS 6 5.450 -6.460 -4.160 48 2HE LYS 6 1HE LYS 6 6.323 -6.088 -5.645 49 1HZ LYS 6 1HZ LYS 6 5.442 -4.072 -4.792 50 2HZ LYS 6 2HZ LYS 6 3.891 -4.743 -4.605 51 3HZ LYS 6 3HZ LYS 6 4.524 -4.475 -6.159 52 H ILE 7 H ILE 7 -0.251 -7.827 -7.151 53 HA ILE 7 HA ILE 7 -1.026 -5.223 -6.444 54 HB ILE 7 HB ILE 7 -1.991 -7.218 -8.469 55 1HG1 ILE 7 2HG1 ILE 7 -1.318 -5.296 -9.974 56 2HG1 ILE 7 1HG1 ILE 7 -0.768 -4.441 -8.534 57 1HG2 ILE 7 1HG2 ILE 7 -3.353 -4.635 -7.671 58 2HG2 ILE 7 2HG2 ILE 7 -4.082 -6.226 -7.900 59 3HG2 ILE 7 3HG2 ILE 7 -3.512 -5.309 -9.294 60 1HD1 ILE 7 1HD1 ILE 7 0.986 -5.805 -9.855 61 2HD1 ILE 7 2HD1 ILE 7 0.208 -7.227 -9.158 62 3HD1 ILE 7 3HD1 ILE 7 0.940 -6.015 -8.105 63 H ALA 8 H ALA 8 -2.714 -8.321 -6.087 64 HA ALA 8 HA ALA 8 -5.158 -7.379 -5.106 65 1HB ALA 8 1HB ALA 8 -5.601 -9.578 -4.511 66 2HB ALA 8 2HB ALA 8 -3.939 -9.887 -4.006 67 3HB ALA 8 3HB ALA 8 -4.338 -9.801 -5.722 68 H ARG 9 H ARG 9 -2.114 -8.070 -3.432 69 HA ARG 9 HA ARG 9 -3.040 -7.728 -0.790 70 1HB ARG 9 2HB ARG 9 -0.821 -8.714 -1.484 71 2HB ARG 9 1HB ARG 9 -0.263 -7.070 -1.793 72 1HG ARG 9 2HG ARG 9 -1.158 -6.624 0.651 73 2HG ARG 9 1HG ARG 9 -0.974 -8.369 0.819 74 1HD ARG 9 2HD ARG 9 1.369 -8.249 0.254 75 2HD ARG 9 1HD ARG 9 1.227 -6.549 -0.186 76 HE ARG 9 HE ARG 9 0.442 -7.020 2.534 77 1HH1 ARG 9 1HH2 ARG 9 3.140 -6.652 0.392 78 2HH1 ARG 9 2HH2 ARG 9 4.210 -6.063 1.620 79 1HH2 ARG 9 1HH1 ARG 9 1.838 -6.245 4.144 80 2HH2 ARG 9 2HH1 ARG 9 3.472 -5.832 3.744 81 H ILE 10 H ILE 10 -0.873 -5.430 -2.436 82 HA ILE 10 HA ILE 10 -1.289 -3.240 -0.839 83 HB ILE 10 HB ILE 10 -0.793 -3.344 -3.822 84 1HG1 ILE 10 2HG1 ILE 10 1.156 -2.647 -1.624 85 2HG1 ILE 10 1HG1 ILE 10 0.857 -4.327 -2.068 86 1HG2 ILE 10 1HG2 ILE 10 0.149 -0.979 -3.327 87 2HG2 ILE 10 2HG2 ILE 10 -0.854 -1.033 -1.877 88 3HG2 ILE 10 3HG2 ILE 10 -1.601 -1.148 -3.472 89 1HD1 ILE 10 1HD1 ILE 10 2.771 -3.489 -3.332 90 2HD1 ILE 10 2HD1 ILE 10 1.820 -2.124 -3.917 91 3HD1 ILE 10 3HD1 ILE 10 1.422 -3.762 -4.435 92 H ASN 11 H ASN 11 -3.277 -4.317 -3.562 93 HA ASN 11 HA ASN 11 -4.985 -2.097 -3.750 94 1HB ASN 11 2HB ASN 11 -5.024 -3.773 -5.470 95 2HB ASN 11 1HB ASN 11 -5.450 -5.031 -4.315 96 1HD2 ASN 11 1HD2 ASN 11 -7.515 -5.603 -5.120 97 2HD2 ASN 11 2HD2 ASN 11 -8.814 -4.515 -5.223 98 H GLU 12 H GLU 12 -5.642 -5.201 -2.096 99 HA GLU 12 HA GLU 12 -7.954 -4.321 -0.747 100 1HB GLU 12 2HB GLU 12 -7.042 -6.728 -1.101 101 2HB GLU 12 1HB GLU 12 -6.120 -6.428 0.371 102 1HG GLU 12 2HG GLU 12 -8.030 -7.262 1.341 103 2HG GLU 12 1HG GLU 12 -8.518 -5.574 1.221 104 H LEU 13 H LEU 13 -4.557 -4.463 0.282 105 HA LEU 13 HA LEU 13 -4.883 -3.642 2.941 106 1HB LEU 13 2HB LEU 13 -2.764 -4.441 1.543 107 2HB LEU 13 1HB LEU 13 -2.498 -2.706 1.400 108 HG LEU 13 HG LEU 13 -2.889 -4.204 4.012 109 1HD1 LEU 13 1HD1 LEU 13 -0.552 -4.008 4.354 110 2HD1 LEU 13 2HD1 LEU 13 -0.369 -2.853 3.035 111 3HD1 LEU 13 3HD1 LEU 13 -0.704 -4.549 2.684 112 1HD2 LEU 13 1HD2 LEU 13 -1.865 -1.876 4.781 113 2HD2 LEU 13 2HD2 LEU 13 -3.599 -2.045 4.513 114 3HD2 LEU 13 3HD2 LEU 13 -2.584 -1.310 3.273 115 H ALA 14 H ALA 14 -4.243 -1.701 0.026 116 HA ALA 14 HA ALA 14 -4.074 0.814 1.185 117 1HB ALA 14 1HB ALA 14 -4.841 1.678 -1.028 118 2HB ALA 14 2HB ALA 14 -5.231 0.023 -1.498 119 3HB ALA 14 3HB ALA 14 -3.559 0.474 -1.158 120 H ALA 15 H ALA 15 -7.001 -0.549 -0.347 121 HA ALA 15 HA ALA 15 -8.761 1.443 0.562 122 1HB ALA 15 1HB ALA 15 -9.514 -1.429 0.007 123 2HB ALA 15 2HB ALA 15 -9.182 -0.256 -1.267 124 3HB ALA 15 3HB ALA 15 -10.528 0.004 -0.156 125 H LYS 16 H LYS 16 -7.721 -1.583 2.046 126 HA LYS 16 HA LYS 16 -9.626 -1.662 4.132 127 1HB LYS 16 2HB LYS 16 -8.206 -3.595 3.517 128 2HB LYS 16 1HB LYS 16 -6.795 -2.741 4.143 129 1HG LYS 16 2HG LYS 16 -7.692 -2.729 6.376 130 2HG LYS 16 1HG LYS 16 -9.259 -3.310 5.810 131 1HD LYS 16 2HD LYS 16 -8.153 -5.419 5.047 132 2HD LYS 16 1HD LYS 16 -6.644 -4.845 5.757 133 1HE LYS 16 2HE LYS 16 -7.867 -4.626 7.959 134 2HE LYS 16 1HE LYS 16 -9.238 -5.439 7.204 135 1HZ LYS 16 1HZ LYS 16 -6.999 -6.952 6.611 136 2HZ LYS 16 2HZ LYS 16 -8.260 -7.348 7.679 137 3HZ LYS 16 3HZ LYS 16 -6.869 -6.562 8.257 138 H ALA 17 H ALA 17 -6.174 -0.834 4.410 139 HA ALA 17 HA ALA 17 -6.347 0.365 6.931 140 1HB ALA 17 1HB ALA 17 -4.375 0.998 4.723 141 2HB ALA 17 2HB ALA 17 -4.231 -0.350 5.851 142 3HB ALA 17 3HB ALA 17 -4.155 1.309 6.444 143 H LYS 18 H LYS 18 -7.288 1.545 3.821 144 HA LYS 18 HA LYS 18 -7.171 4.346 4.611 145 1HB LYS 18 2HB LYS 18 -6.750 3.673 2.269 146 2HB LYS 18 1HB LYS 18 -8.409 3.086 2.153 147 1HG LYS 18 2HG LYS 18 -9.254 5.347 2.645 148 2HG LYS 18 1HG LYS 18 -7.601 5.940 2.796 149 1HD LYS 18 2HD LYS 18 -8.103 6.509 0.587 150 2HD LYS 18 1HD LYS 18 -7.314 4.945 0.380 151 1HE LYS 18 2HE LYS 18 -9.449 3.816 0.211 152 2HE LYS 18 1HE LYS 18 -10.315 5.293 0.633 153 1HZ LYS 18 1HZ LYS 18 -8.832 4.674 -1.844 154 2HZ LYS 18 2HZ LYS 18 -9.165 6.279 -1.395 155 3HZ LYS 18 3HZ LYS 18 -10.439 5.190 -1.671 156 H ALA 19 H ALA 19 -9.863 2.339 3.388 157 HA ALA 19 HA ALA 19 -11.836 4.067 4.536 158 1HB ALA 19 1HB ALA 19 -13.445 2.425 3.714 159 2HB ALA 19 2HB ALA 19 -12.142 1.272 3.421 160 3HB ALA 19 3HB ALA 19 -12.231 2.760 2.479 161 H GLY 20 H GLY 20 -9.853 1.799 5.966 162 1HA GLY 20 2HA GLY 20 -11.871 0.951 7.942 163 2HA GLY 20 1HA GLY 20 -10.275 0.240 7.735 164 H VAL 21 H VAL 21 -8.406 1.615 8.318 165 HA VAL 21 HA VAL 21 -8.776 3.924 9.985 166 HB VAL 21 HB VAL 21 -7.616 2.691 11.979 167 1HG1 VAL 21 1HG1 VAL 21 -10.096 3.597 11.639 168 2HG1 VAL 21 2HG1 VAL 21 -9.658 2.647 13.057 169 3HG1 VAL 21 3HG1 VAL 21 -10.480 1.877 11.701 170 1HG2 VAL 21 1HG2 VAL 21 -7.234 0.542 10.954 171 2HG2 VAL 21 2HG2 VAL 21 -8.922 0.410 10.463 172 3HG2 VAL 21 3HG2 VAL 21 -8.490 0.320 12.171 173 H ILE 22 H ILE 22 -7.248 4.799 8.553 174 HA ILE 22 HA ILE 22 -4.741 3.570 8.005 175 HB ILE 22 HB ILE 22 -5.781 5.298 6.557 176 1HG1 ILE 22 2HG1 ILE 22 -3.600 6.757 6.436 177 2HG1 ILE 22 1HG1 ILE 22 -3.002 5.641 7.663 178 1HG2 ILE 22 1HG2 ILE 22 -6.466 6.692 8.642 179 2HG2 ILE 22 2HG2 ILE 22 -5.959 7.552 7.189 180 3HG2 ILE 22 3HG2 ILE 22 -4.837 7.364 8.535 181 1HD1 ILE 22 1HD1 ILE 22 -4.149 4.808 4.981 182 2HD1 ILE 22 2HD1 ILE 22 -3.454 3.734 6.195 183 3HD1 ILE 22 3HD1 ILE 22 -2.429 4.898 5.358 184 H THR 23 H THR 23 -3.013 3.394 9.246 185 HA THR 23 HA THR 23 -2.764 5.154 11.612 186 HB THR 23 HB THR 23 -1.182 3.179 12.331 187 HG1 THR 23 HG1 THR 23 -3.000 1.669 10.850 188 1HG2 THR 23 1HG2 THR 23 -3.189 3.744 13.556 189 2HG2 THR 23 2HG2 THR 23 -3.186 2.000 13.290 190 3HG2 THR 23 3HG2 THR 23 -4.208 3.041 12.299 191 H GLU 24 H GLU 24 -0.738 6.007 12.131 192 HA GLU 24 HA GLU 24 0.860 6.957 10.081 193 1HB GLU 24 2HB GLU 24 0.793 7.695 12.531 194 2HB GLU 24 1HB GLU 24 1.914 6.373 12.851 195 1HG GLU 24 2HG GLU 24 3.184 8.420 12.483 196 2HG GLU 24 1HG GLU 24 3.463 7.316 11.138 197 H GLU 25 H GLU 25 1.253 4.033 12.039 198 HA GLU 25 HA GLU 25 3.764 3.216 11.077 199 1HB GLU 25 2HB GLU 25 1.410 1.656 12.154 200 2HB GLU 25 1HB GLU 25 2.949 0.901 11.743 201 1HG GLU 25 2HG GLU 25 2.752 3.264 13.623 202 2HG GLU 25 1HG GLU 25 2.667 1.596 14.186 203 H GLU 26 H GLU 26 0.485 2.330 9.971 204 HA GLU 26 HA GLU 26 1.316 0.690 7.825 205 1HB GLU 26 2HB GLU 26 -1.042 0.980 8.893 206 2HB GLU 26 1HB GLU 26 -1.222 2.304 7.743 207 1HG GLU 26 2HG GLU 26 -2.078 0.428 6.586 208 2HG GLU 26 1HG GLU 26 -0.445 0.607 5.954 209 H LYS 27 H LYS 27 0.701 4.156 8.091 210 HA LYS 27 HA LYS 27 0.738 4.896 5.406 211 1HB LYS 27 2HB LYS 27 0.434 6.297 7.629 212 2HB LYS 27 1HB LYS 27 2.161 6.590 7.430 213 1HG LYS 27 2HG LYS 27 1.164 8.370 6.247 214 2HG LYS 27 1HG LYS 27 1.562 7.208 4.981 215 1HD LYS 27 2HD LYS 27 -0.670 6.523 4.727 216 2HD LYS 27 1HD LYS 27 -1.133 7.113 6.323 217 1HE LYS 27 2HE LYS 27 -1.998 8.575 4.515 218 2HE LYS 27 1HE LYS 27 -0.874 9.434 5.568 219 1HZ LYS 27 1HZ LYS 27 -0.156 9.976 3.452 220 2HZ LYS 27 2HZ LYS 27 -0.444 8.422 2.831 221 3HZ LYS 27 3HZ LYS 27 0.876 8.695 3.867 222 H ALA 28 H ALA 28 3.442 4.452 7.664 223 HA ALA 28 HA ALA 28 5.520 5.179 5.903 224 1HB ALA 28 1HB ALA 28 6.938 3.746 7.449 225 2HB ALA 28 2HB ALA 28 5.450 3.352 8.310 226 3HB ALA 28 3HB ALA 28 6.010 5.022 8.237 227 H GLU 29 H GLU 29 3.987 2.052 6.590 228 HA GLU 29 HA GLU 29 5.642 0.416 5.021 229 1HB GLU 29 2HB GLU 29 3.918 -0.399 6.633 230 2HB GLU 29 1HB GLU 29 2.668 0.085 5.487 231 1HG GLU 29 2HG GLU 29 3.775 -1.403 3.776 232 2HG GLU 29 1HG GLU 29 4.834 -1.990 5.057 233 H GLN 30 H GLN 30 2.409 1.641 4.149 234 HA GLN 30 HA GLN 30 2.369 0.939 1.482 235 1HB GLN 30 2HB GLN 30 1.228 3.532 2.535 236 2HB GLN 30 1HB GLN 30 0.641 2.561 1.186 237 1HG GLN 30 2HG GLN 30 0.675 0.771 3.325 238 2HG GLN 30 1HG GLN 30 0.106 2.276 4.044 239 1HE2 GLN 30 1HE2 GLN 30 -0.708 -0.289 1.781 240 2HE2 GLN 30 2HE2 GLN 30 -2.286 0.245 1.461 241 H GLN 31 H GLN 31 4.162 3.517 2.997 242 HA GLN 31 HA GLN 31 4.592 5.247 0.861 243 1HB GLN 31 2HB GLN 31 5.361 5.483 3.293 244 2HB GLN 31 1HB GLN 31 6.753 4.505 2.829 245 1HG GLN 31 2HG GLN 31 7.267 6.135 1.024 246 2HG GLN 31 1HG GLN 31 5.923 7.135 1.573 247 1HE2 GLN 31 1HE2 GLN 31 9.260 6.582 1.987 248 2HE2 GLN 31 2HE2 GLN 31 9.463 7.439 3.437 249 H LYS 32 H LYS 32 6.672 2.506 1.842 250 HA LYS 32 HA LYS 32 8.442 2.662 -0.336 251 1HB LYS 32 2HB LYS 32 8.828 1.361 1.768 252 2HB LYS 32 1HB LYS 32 7.672 0.162 1.187 253 1HG LYS 32 2HG LYS 32 9.045 -0.283 -0.776 254 2HG LYS 32 1HG LYS 32 10.157 1.011 -0.331 255 1HD LYS 32 2HD LYS 32 10.965 -0.174 1.554 256 2HD LYS 32 1HD LYS 32 9.608 -1.299 1.535 257 1HE LYS 32 2HE LYS 32 11.715 -2.306 0.640 258 2HE LYS 32 1HE LYS 32 10.403 -2.301 -0.537 259 1HZ LYS 32 1HZ LYS 32 12.581 -1.533 -1.412 260 2HZ LYS 32 2HZ LYS 32 12.478 -0.189 -0.378 261 3HZ LYS 32 3HZ LYS 32 11.324 -0.409 -1.606 262 H LEU 33 H LEU 33 5.725 0.389 0.151 263 HA LEU 33 HA LEU 33 5.820 -0.850 -2.340 264 1HB LEU 33 2HB LEU 33 3.411 -0.283 -0.594 265 2HB LEU 33 1HB LEU 33 3.432 -1.416 -1.946 266 HG LEU 33 HG LEU 33 5.376 -1.607 0.368 267 1HD1 LEU 33 1HD1 LEU 33 3.932 -3.235 1.392 268 2HD1 LEU 33 2HD1 LEU 33 2.825 -3.204 0.020 269 3HD1 LEU 33 3HD1 LEU 33 2.948 -1.804 1.086 270 1HD2 LEU 33 1HD2 LEU 33 5.449 -4.004 -0.477 271 2HD2 LEU 33 2HD2 LEU 33 6.113 -2.807 -1.587 272 3HD2 LEU 33 3HD2 LEU 33 4.502 -3.468 -1.863 273 H ARG 34 H ARG 34 3.903 1.999 -1.363 274 HA ARG 34 HA ARG 34 2.643 2.445 -3.833 275 1HB ARG 34 2HB ARG 34 1.980 3.567 -1.729 276 2HB ARG 34 1HB ARG 34 3.472 4.507 -1.774 277 1HG ARG 34 2HG ARG 34 2.785 5.772 -3.602 278 2HG ARG 34 1HG ARG 34 1.680 4.524 -4.179 279 1HD ARG 34 2HD ARG 34 0.376 6.360 -3.258 280 2HD ARG 34 1HD ARG 34 0.218 4.959 -2.203 281 HE ARG 34 HE ARG 34 1.305 6.158 -0.539 282 1HH1 ARG 34 1HH2 ARG 34 1.806 7.639 -3.636 283 2HH1 ARG 34 2HH2 ARG 34 2.574 9.048 -2.986 284 1HH2 ARG 34 1HH1 ARG 34 2.310 8.006 0.308 285 2HH2 ARG 34 2HH1 ARG 34 2.857 9.257 -0.758 286 H GLN 35 H GLN 35 5.743 3.606 -2.560 287 HA GLN 35 HA GLN 35 6.412 5.334 -4.683 288 1HB GLN 35 2HB GLN 35 7.586 5.243 -2.483 289 2HB GLN 35 1HB GLN 35 8.301 3.705 -2.963 290 1HG GLN 35 2HG GLN 35 9.476 4.731 -4.793 291 2HG GLN 35 1HG GLN 35 8.599 6.245 -4.585 292 1HE2 GLN 35 1HE2 GLN 35 9.491 7.772 -3.155 293 2HE2 GLN 35 2HE2 GLN 35 10.811 7.459 -2.135 294 H GLU 36 H GLU 36 7.229 1.916 -4.119 295 HA GLU 36 HA GLU 36 8.654 1.542 -6.544 296 1HB GLU 36 2HB GLU 36 8.655 0.063 -4.442 297 2HB GLU 36 1HB GLU 36 7.161 -0.627 -5.074 298 1HG GLU 36 2HG GLU 36 8.776 -2.060 -5.974 299 2HG GLU 36 1HG GLU 36 8.529 -0.913 -7.288 300 H TYR 37 H TYR 37 5.291 0.914 -5.598 301 HA TYR 37 HA TYR 37 4.356 -0.311 -7.911 302 1HB TYR 37 2HB TYR 37 3.028 -0.100 -5.853 303 2HB TYR 37 1HB TYR 37 2.891 1.638 -6.113 304 HD1 TYR 37 HD1 TYR 37 1.788 -1.688 -7.222 305 HD2 TYR 37 HD2 TYR 37 1.532 2.538 -7.962 306 HE1 TYR 37 HE1 TYR 37 -0.173 -2.062 -8.690 307 HE2 TYR 37 HE2 TYR 37 -0.428 2.162 -9.430 308 HH TYR 37 HH TYR 37 -2.238 -0.514 -9.427 309 H LEU 38 H LEU 38 4.450 3.169 -7.135 310 HA LEU 38 HA LEU 38 3.320 4.137 -9.505 311 1HB LEU 38 2HB LEU 38 4.776 5.221 -7.251 312 2HB LEU 38 1HB LEU 38 5.315 5.982 -8.744 313 HG LEU 38 HG LEU 38 3.398 7.188 -7.735 314 1HD1 LEU 38 1HD1 LEU 38 2.324 7.580 -9.762 315 2HD1 LEU 38 2HD1 LEU 38 2.316 5.874 -10.209 316 3HD1 LEU 38 3HD1 LEU 38 3.810 6.806 -10.313 317 1HD2 LEU 38 1HD2 LEU 38 1.456 6.165 -7.106 318 2HD2 LEU 38 2HD2 LEU 38 2.454 4.711 -7.065 319 3HD2 LEU 38 3HD2 LEU 38 1.470 5.067 -8.485 320 H LYS 39 H LYS 39 6.699 3.401 -8.705 321 HA LYS 39 HA LYS 39 7.795 4.224 -11.198 322 1HB LYS 39 2HB LYS 39 9.084 3.873 -9.059 323 2HB LYS 39 1HB LYS 39 8.910 2.136 -9.310 324 1HG LYS 39 2HG LYS 39 9.978 2.435 -11.577 325 2HG LYS 39 1HG LYS 39 10.302 4.112 -11.140 326 1HD LYS 39 2HD LYS 39 11.160 1.945 -9.252 327 2HD LYS 39 1HD LYS 39 12.121 2.234 -10.702 328 1HE LYS 39 2HE LYS 39 12.273 4.645 -10.081 329 2HE LYS 39 1HE LYS 39 11.405 4.288 -8.589 330 1HZ LYS 39 1HZ LYS 39 14.145 3.664 -9.339 331 2HZ LYS 39 2HZ LYS 39 13.316 2.461 -8.470 332 3HZ LYS 39 3HZ LYS 39 13.487 4.018 -7.815 333 H GLY 40 H GLY 40 6.440 1.215 -9.993 334 1HA GLY 40 2HA GLY 40 7.187 -0.329 -12.328 335 2HA GLY 40 1HA GLY 40 6.184 -0.870 -10.986 336 H PHE 41 H PHE 41 5.077 2.097 -12.032 337 HA PHE 41 HA PHE 41 2.608 1.117 -12.971 338 1HB PHE 41 2HB PHE 41 2.781 3.344 -12.041 339 2HB PHE 41 1HB PHE 41 3.927 3.824 -13.292 340 HD1 PHE 41 HD1 PHE 41 0.420 2.643 -12.765 341 HD2 PHE 41 HD2 PHE 41 3.177 4.664 -15.369 342 HE1 PHE 41 HE1 PHE 41 -1.459 3.310 -14.239 343 HE2 PHE 41 HE2 PHE 41 1.297 5.329 -16.841 344 HZ PHE 41 HZ PHE 41 -1.022 4.652 -16.277 345 H ARG 42 H ARG 42 5.606 1.191 -14.514 346 HA ARG 42 HA ARG 42 4.360 0.519 -17.069 347 1HB ARG 42 2HB ARG 42 5.750 2.078 -18.345 348 2HB ARG 42 1HB ARG 42 4.727 2.957 -17.209 349 1HG ARG 42 2HG ARG 42 6.724 2.849 -15.586 350 2HG ARG 42 1HG ARG 42 7.683 2.370 -16.986 351 1HD ARG 42 2HD ARG 42 6.274 4.975 -16.467 352 2HD ARG 42 1HD ARG 42 7.939 4.701 -16.961 353 HE ARG 42 HE ARG 42 5.613 4.829 -18.696 354 1HH1 ARG 42 1HH2 ARG 42 8.893 3.772 -18.285 355 2HH1 ARG 42 2HH2 ARG 42 9.227 3.725 -19.984 356 1HH2 ARG 42 1HH1 ARG 42 6.056 4.765 -20.915 357 2HH2 ARG 42 2HH1 ARG 42 7.625 4.285 -21.469
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