NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6853 | 1jns | 5225 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -16.516 -0.756 -6.071 2 2H ALA 1 HT2 ALA 1 -15.361 0.143 -5.208 3 3H ALA 1 HT3 ALA 1 -16.990 0.625 -5.208 4 HA ALA 1 HA ALA 1 -17.590 -1.442 -4.030 5 1HB ALA 1 HB1 ALA 1 -15.804 -2.805 -4.917 6 2HB ALA 1 HB2 ALA 1 -15.571 -2.722 -3.171 7 3HB ALA 1 HB3 ALA 1 -14.579 -1.731 -4.242 8 H LYS 2 HN LYS 2 -18.079 -0.850 -1.931 9 HA LYS 2 HA LYS 2 -17.038 1.599 -0.837 10 1HB LYS 2 HB2 LYS 2 -18.645 -0.679 0.362 11 2HB LYS 2 HB1 LYS 2 -18.447 0.907 1.107 12 1HG LYS 2 HG1 LYS 2 -19.462 1.960 -0.861 13 2HG LYS 2 HG2 LYS 2 -19.668 0.383 -1.614 14 1HD LYS 2 HD2 LYS 2 -21.115 -0.325 0.253 15 2HD LYS 2 HD1 LYS 2 -20.914 1.254 1.013 16 1HE LYS 2 HE1 LYS 2 -21.876 2.284 -1.103 17 2HE LYS 2 HE2 LYS 2 -22.280 0.639 -1.629 18 1HZ LYS 2 HZ1 LYS 2 -23.225 2.097 0.771 19 2HZ LYS 2 HZ2 LYS 2 -23.289 0.401 0.689 20 3HZ LYS 2 HZ3 LYS 2 -24.152 1.342 -0.432 21 H THR 3 HN THR 3 -16.859 -1.697 0.481 22 HA THR 3 HA THR 3 -14.542 -0.825 2.143 23 HB THR 3 HB THR 3 -16.507 -3.132 2.252 24 HG1 THR 3 HG1 THR 3 -17.181 -2.010 4.106 25 1HG2 THR 3 HG21 THR 3 -13.959 -2.629 3.708 26 2HG2 THR 3 HG22 THR 3 -14.734 -4.157 3.290 27 3HG2 THR 3 HG23 THR 3 -15.326 -3.213 4.657 28 H ALA 4 HN ALA 4 -12.522 -1.818 1.959 29 HA ALA 4 HA ALA 4 -12.290 -4.301 0.326 30 1HB ALA 4 HB1 ALA 4 -11.980 -2.302 -1.138 31 2HB ALA 4 HB2 ALA 4 -10.508 -3.264 -1.009 32 3HB ALA 4 HB3 ALA 4 -10.667 -1.768 -0.089 33 H ALA 5 HN ALA 5 -10.213 -5.409 0.737 34 HA ALA 5 HA ALA 5 -9.058 -4.758 3.406 35 1HB ALA 5 HB1 ALA 5 -9.274 -7.023 3.466 36 2HB ALA 5 HB2 ALA 5 -7.872 -7.064 2.397 37 3HB ALA 5 HB3 ALA 5 -9.499 -7.117 1.719 38 H ALA 6 HN ALA 6 -7.172 -3.586 3.428 39 HA ALA 6 HA ALA 6 -5.520 -3.590 0.918 40 1HB ALA 6 HB1 ALA 6 -5.668 -1.242 0.878 41 2HB ALA 6 HB2 ALA 6 -6.163 -1.154 2.568 42 3HB ALA 6 HB3 ALA 6 -7.290 -1.748 1.348 43 H LEU 7 HN LEU 7 -3.356 -3.611 1.207 44 HA LEU 7 HA LEU 7 -2.247 -3.045 3.940 45 1HB LEU 7 HB1 LEU 7 -1.136 -4.659 1.616 46 2HB LEU 7 HB2 LEU 7 -0.354 -4.456 3.184 47 HG LEU 7 HG LEU 7 -2.985 -5.838 2.600 48 1HD1 LEU 7 HD11 LEU 7 -0.616 -6.926 4.109 49 2HD1 LEU 7 HD12 LEU 7 -0.661 -6.979 2.347 50 3HD1 LEU 7 HD13 LEU 7 -1.901 -7.810 3.286 51 1HD2 LEU 7 HD21 LEU 7 -1.837 -4.733 5.134 52 2HD2 LEU 7 HD22 LEU 7 -2.710 -6.264 5.205 53 3HD2 LEU 7 HD23 LEU 7 -3.519 -4.815 4.609 54 H HIS 8 HN HIS 8 -0.797 -1.301 4.054 55 HA HIS 8 HA HIS 8 -0.036 -0.024 1.440 56 1HB HIS 8 HB1 HIS 8 -0.930 1.333 4.007 57 2HB HIS 8 HB2 HIS 8 -0.578 2.125 2.471 58 HD1 HIS 8 HD1 HIS 8 -3.429 1.771 4.141 59 HD2 HIS 8 HD2 HIS 8 -2.302 0.046 0.519 60 HE1 HIS 8 HE1 HIS 8 -5.574 1.177 2.934 61 H ILE 9 HN ILE 9 2.100 0.501 1.284 62 HA ILE 9 HA ILE 9 3.654 0.817 3.834 63 HB ILE 9 HB ILE 9 4.601 -0.166 1.125 64 1HG1 ILE 9 HG11 ILE 9 4.364 -1.664 3.748 65 2HG1 ILE 9 HG12 ILE 9 3.195 -1.785 2.432 66 1HG2 ILE 9 HG21 ILE 9 6.683 -0.707 2.501 67 2HG2 ILE 9 HG22 ILE 9 6.004 0.335 3.751 68 3HG2 ILE 9 HG23 ILE 9 6.400 1.002 2.167 69 1HD1 ILE 9 HD11 ILE 9 4.520 -3.208 1.289 70 2HD1 ILE 9 HD12 ILE 9 5.552 -3.289 2.716 71 3HD1 ILE 9 HD13 ILE 9 5.903 -2.124 1.440 72 H LEU 10 HN LEU 10 4.475 2.866 4.051 73 HA LEU 10 HA LEU 10 4.509 4.636 1.634 74 1HB LEU 10 HB2 LEU 10 2.997 5.313 3.440 75 2HB LEU 10 HB1 LEU 10 4.310 5.204 4.612 76 HG LEU 10 HG LEU 10 3.724 7.551 3.712 77 1HD1 LEU 10 HD11 LEU 10 5.824 8.168 4.323 78 2HD1 LEU 10 HD12 LEU 10 6.581 7.135 3.110 79 3HD1 LEU 10 HD13 LEU 10 6.053 6.449 4.646 80 1HD2 LEU 10 HD21 LEU 10 4.878 8.097 1.557 81 2HD2 LEU 10 HD22 LEU 10 3.513 7.001 1.351 82 3HD2 LEU 10 HD23 LEU 10 5.160 6.373 1.315 83 H VAL 11 HN VAL 11 6.550 4.993 0.862 84 HA VAL 11 HA VAL 11 8.862 4.629 2.728 85 HB VAL 11 HB VAL 11 8.980 4.917 -0.279 86 1HG1 VAL 11 HG21 VAL 11 10.949 3.380 0.103 87 2HG1 VAL 11 HG22 VAL 11 10.693 3.596 1.835 88 3HG1 VAL 11 HG23 VAL 11 11.111 4.981 0.825 89 1HG2 VAL 11 HG11 VAL 11 7.516 2.905 1.071 90 2HG2 VAL 11 HG12 VAL 11 9.047 2.163 0.619 91 3HG2 VAL 11 HG13 VAL 11 8.026 2.897 -0.616 92 H LYS 12 HN LYS 12 9.993 6.394 3.367 93 HA LYS 12 HA LYS 12 9.196 9.068 2.663 94 1HB LYS 12 HB1 LYS 12 10.164 8.392 4.824 95 2HB LYS 12 HB2 LYS 12 11.679 7.973 4.022 96 1HG LYS 12 HG2 LYS 12 11.935 10.316 3.285 97 2HG LYS 12 HG1 LYS 12 10.421 10.734 4.087 98 1HD LYS 12 HD2 LYS 12 11.374 10.051 6.254 99 2HD LYS 12 HD1 LYS 12 12.886 9.615 5.458 100 1HE LYS 12 HE1 LYS 12 13.367 11.887 4.904 101 2HE LYS 12 HE2 LYS 12 11.708 12.402 5.260 102 1HZ LYS 12 HZ1 LYS 12 13.516 12.714 7.062 103 2HZ LYS 12 HZ2 LYS 12 13.334 11.044 7.316 104 3HZ LYS 12 HZ3 LYS 12 12.009 12.087 7.523 105 H GLU 13 HN GLU 13 11.963 7.038 1.674 106 HA GLU 13 HA GLU 13 12.715 9.192 -0.271 107 1HB GLU 13 HB1 GLU 13 15.012 8.332 0.044 108 2HB GLU 13 HB2 GLU 13 14.291 8.788 1.586 109 1HG GLU 13 HG1 GLU 13 13.698 6.429 2.006 110 2HG GLU 13 HG2 GLU 13 14.418 5.973 0.462 111 H GLU 14 HN GLU 14 13.026 8.620 -2.397 112 HA GLU 14 HA GLU 14 11.668 6.388 -3.469 113 1HB GLU 14 HB2 GLU 14 13.765 8.307 -4.484 114 2HB GLU 14 HB1 GLU 14 13.076 7.072 -5.537 115 1HG GLU 14 HG1 GLU 14 10.822 7.936 -5.127 116 2HG GLU 14 HG2 GLU 14 11.459 9.129 -3.994 117 H LYS 15 HN LYS 15 15.158 6.799 -2.813 118 HA LYS 15 HA LYS 15 16.165 4.569 -4.169 119 1HB LYS 15 HB1 LYS 15 17.481 6.319 -3.011 120 2HB LYS 15 HB2 LYS 15 16.970 5.668 -1.454 121 1HG LYS 15 HG2 LYS 15 17.994 3.462 -2.138 122 2HG LYS 15 HG1 LYS 15 18.658 4.279 -3.553 123 1HD LYS 15 HD2 LYS 15 19.132 5.354 -0.775 124 2HD LYS 15 HD1 LYS 15 20.162 4.091 -1.448 125 1HE LYS 15 HE1 LYS 15 21.349 5.852 -2.317 126 2HE LYS 15 HE2 LYS 15 20.054 5.902 -3.529 127 1HZ LYS 15 HZ1 LYS 15 20.268 7.441 -1.002 128 2HZ LYS 15 HZ2 LYS 15 18.789 7.258 -1.817 129 3HZ LYS 15 HZ3 LYS 15 20.090 8.042 -2.578 130 H LEU 16 HN LEU 16 14.760 4.662 -0.882 131 HA LEU 16 HA LEU 16 15.220 1.870 -0.307 132 1HB LEU 16 HB2 LEU 16 14.704 3.810 1.277 133 2HB LEU 16 HB1 LEU 16 13.023 3.667 0.758 134 HG LEU 16 HG LEU 16 14.472 1.205 1.677 135 1HD1 LEU 16 HD11 LEU 16 14.947 2.829 3.442 136 2HD1 LEU 16 HD12 LEU 16 13.718 1.696 4.004 137 3HD1 LEU 16 HD13 LEU 16 13.253 3.316 3.483 138 1HD2 LEU 16 HD21 LEU 16 11.943 1.695 0.748 139 2HD2 LEU 16 HD22 LEU 16 11.698 1.808 2.491 140 3HD2 LEU 16 HD23 LEU 16 12.371 0.337 1.788 141 H ALA 17 HN ALA 17 12.515 3.670 -1.752 142 HA ALA 17 HA ALA 17 10.601 1.570 -1.911 143 1HB ALA 17 HB1 ALA 17 9.465 3.141 -3.143 144 2HB ALA 17 HB2 ALA 17 10.857 3.484 -4.171 145 3HB ALA 17 HB3 ALA 17 10.749 4.202 -2.563 146 H LEU 18 HN LEU 18 13.148 2.541 -4.243 147 HA LEU 18 HA LEU 18 12.659 0.522 -6.200 148 1HB LEU 18 HB2 LEU 18 14.050 2.356 -6.762 149 2HB LEU 18 HB1 LEU 18 15.008 2.193 -5.290 150 HG LEU 18 HG LEU 18 15.978 0.149 -6.073 151 1HD1 LEU 18 HD21 LEU 18 13.955 -0.691 -7.258 152 2HD1 LEU 18 HD22 LEU 18 15.408 -0.827 -8.248 153 3HD1 LEU 18 HD23 LEU 18 14.256 0.474 -8.548 154 1HD2 LEU 18 HD11 LEU 18 17.473 1.462 -7.132 155 2HD2 LEU 18 HD12 LEU 18 16.219 2.657 -7.468 156 3HD2 LEU 18 HD13 LEU 18 16.499 1.331 -8.597 157 H ASP 19 HN ASP 19 14.824 0.608 -3.357 158 HA ASP 19 HA ASP 19 15.943 -2.002 -3.636 159 1HB ASP 19 HB2 ASP 19 16.749 -0.216 -2.129 160 2HB ASP 19 HB1 ASP 19 15.272 -0.353 -1.175 161 H LEU 20 HN LEU 20 12.972 -0.865 -2.035 162 HA LEU 20 HA LEU 20 12.174 -3.371 -0.890 163 1HB LEU 20 HB1 LEU 20 10.907 -1.681 -0.029 164 2HB LEU 20 HB2 LEU 20 11.142 -0.673 -1.452 165 HG LEU 20 HG LEU 20 9.348 -2.989 -1.887 166 1HD1 LEU 20 HD11 LEU 20 7.523 -2.200 -0.610 167 2HD1 LEU 20 HD12 LEU 20 8.319 -0.664 -0.271 168 3HD1 LEU 20 HD13 LEU 20 8.887 -2.143 0.507 169 1HD2 LEU 20 HD21 LEU 20 9.267 -1.507 -3.646 170 2HD2 LEU 20 HD22 LEU 20 9.617 -0.114 -2.626 171 3HD2 LEU 20 HD23 LEU 20 7.994 -0.803 -2.652 172 H LEU 21 HN LEU 21 11.166 -1.779 -3.922 173 HA LEU 21 HA LEU 21 9.461 -3.771 -4.909 174 1HB LEU 21 HB2 LEU 21 11.238 -1.653 -6.076 175 2HB LEU 21 HB1 LEU 21 10.438 -2.773 -7.178 176 HG LEU 21 HG LEU 21 8.493 -1.960 -5.272 177 1HD1 LEU 21 HD11 LEU 21 10.470 0.110 -5.801 178 2HD1 LEU 21 HD12 LEU 21 9.084 0.150 -4.707 179 3HD1 LEU 21 HD13 LEU 21 8.882 0.583 -6.404 180 1HD2 LEU 21 HD21 LEU 21 8.173 -0.587 -7.754 181 2HD2 LEU 21 HD22 LEU 21 7.359 -2.053 -7.208 182 3HD2 LEU 21 HD23 LEU 21 8.879 -2.166 -8.095 183 H GLU 22 HN GLU 22 12.954 -3.399 -5.492 184 HA GLU 22 HA GLU 22 13.306 -5.894 -6.917 185 1HB GLU 22 HB1 GLU 22 14.876 -3.984 -6.972 186 2HB GLU 22 HB2 GLU 22 15.205 -4.206 -5.253 187 1HG GLU 22 HG2 GLU 22 16.075 -6.466 -5.703 188 2HG GLU 22 HG1 GLU 22 15.728 -6.265 -7.420 189 H GLN 23 HN GLN 23 13.562 -4.938 -3.496 190 HA GLN 23 HA GLN 23 14.556 -7.400 -2.458 191 1HB GLN 23 HB2 GLN 23 14.486 -5.240 -1.269 192 2HB GLN 23 HB1 GLN 23 12.723 -5.298 -1.254 193 1HG GLN 23 HG1 GLN 23 12.764 -7.316 0.118 194 2HG GLN 23 HG2 GLN 23 14.524 -7.377 0.026 195 1HE2 GLN 23 HE21 GLN 23 13.427 -7.233 2.576 196 2HE2 GLN 23 HE22 GLN 23 13.664 -5.686 3.234 197 H ILE 24 HN ILE 24 11.224 -6.277 -3.046 198 HA ILE 24 HA ILE 24 9.897 -8.575 -1.912 199 HB ILE 24 HB ILE 24 9.148 -6.513 -4.004 200 1HG1 ILE 24 HG11 ILE 24 8.243 -6.750 -1.129 201 2HG1 ILE 24 HG12 ILE 24 9.668 -5.822 -1.595 202 1HG2 ILE 24 HG21 ILE 24 6.806 -7.437 -2.860 203 2HG2 ILE 24 HG22 ILE 24 7.751 -8.914 -3.056 204 3HG2 ILE 24 HG23 ILE 24 7.407 -7.894 -4.454 205 1HD1 ILE 24 HD11 ILE 24 8.127 -4.634 -3.281 206 2HD1 ILE 24 HD12 ILE 24 7.898 -4.237 -1.578 207 3HD1 ILE 24 HD13 ILE 24 6.789 -5.349 -2.381 208 H LYS 25 HN LYS 25 11.024 -7.789 -5.209 209 HA LYS 25 HA LYS 25 10.005 -10.154 -6.481 210 1HB LYS 25 HB2 LYS 25 10.680 -8.230 -7.749 211 2HB LYS 25 HB1 LYS 25 12.279 -8.224 -7.003 212 1HG LYS 25 HG1 LYS 25 12.960 -10.142 -8.170 213 2HG LYS 25 HG2 LYS 25 11.308 -10.603 -8.576 214 1HD LYS 25 HD2 LYS 25 12.336 -9.678 -10.569 215 2HD LYS 25 HD1 LYS 25 11.152 -8.514 -9.976 216 1HE LYS 25 HE1 LYS 25 12.991 -7.278 -8.818 217 2HE LYS 25 HE2 LYS 25 14.158 -8.409 -9.530 218 1HZ LYS 25 HZ1 LYS 25 12.197 -6.757 -11.044 219 2HZ LYS 25 HZ2 LYS 25 13.314 -7.841 -11.725 220 3HZ LYS 25 HZ3 LYS 25 13.859 -6.441 -10.933 221 H ASN 26 HN ASN 26 13.307 -9.368 -5.299 222 HA ASN 26 HA ASN 26 14.433 -11.955 -5.695 223 1HB ASN 26 HB2 ASN 26 14.995 -9.630 -3.850 224 2HB ASN 26 HB1 ASN 26 16.022 -11.064 -3.865 225 1HD2 ASN 26 HD21 ASN 26 17.380 -8.853 -4.662 226 2HD2 ASN 26 HD22 ASN 26 17.541 -8.779 -6.350 227 H GLY 27 HN GLY 27 12.837 -10.553 -2.813 228 1HA GLY 27 HA2 GLY 27 12.987 -13.234 -1.520 229 2HA GLY 27 HA1 GLY 27 12.736 -11.710 -0.666 230 H ALA 28 HN ALA 28 10.696 -10.505 -1.708 231 HA ALA 28 HA ALA 28 8.389 -10.533 -2.264 232 1HB ALA 28 HB1 ALA 28 7.484 -12.435 -3.219 233 2HB ALA 28 HB2 ALA 28 8.270 -13.514 -2.067 234 3HB ALA 28 HB3 ALA 28 9.197 -12.814 -3.395 235 H ASP 29 HN ASP 29 7.597 -9.678 -0.411 236 HA ASP 29 HA ASP 29 6.392 -11.364 1.623 237 1HB ASP 29 HB2 ASP 29 9.182 -10.394 1.831 238 2HB ASP 29 HB1 ASP 29 8.196 -10.127 3.271 239 H PHE 30 HN PHE 30 4.884 -9.637 0.564 240 HA PHE 30 HA PHE 30 5.220 -6.867 0.935 241 1HB PHE 30 HB1 PHE 30 3.022 -8.784 0.397 242 2HB PHE 30 HB2 PHE 30 2.513 -7.198 0.979 243 HD1 PHE 30 HD1 PHE 30 3.896 -9.073 -1.825 244 HD2 PHE 30 HD2 PHE 30 3.264 -5.126 -0.237 245 HE1 PHE 30 HE1 PHE 30 4.305 -8.103 -4.070 246 HE2 PHE 30 HE2 PHE 30 3.670 -4.159 -2.485 247 HZ PHE 30 HZ PHE 30 4.191 -5.647 -4.401 248 H GLY 31 HN GLY 31 3.560 -9.201 3.088 249 1HA GLY 31 HA1 GLY 31 2.653 -7.247 4.959 250 2HA GLY 31 HA2 GLY 31 2.845 -8.962 5.310 251 H LYS 32 HN LYS 32 5.495 -9.434 5.194 252 HA LYS 32 HA LYS 32 6.421 -8.319 7.655 253 1HB LYS 32 HB2 LYS 32 7.747 -9.882 5.424 254 2HB LYS 32 HB1 LYS 32 8.554 -9.522 6.950 255 1HG LYS 32 HG1 LYS 32 6.734 -10.645 8.183 256 2HG LYS 32 HG2 LYS 32 5.921 -11.005 6.660 257 1HD LYS 32 HD2 LYS 32 7.872 -12.337 5.935 258 2HD LYS 32 HD1 LYS 32 8.685 -11.976 7.458 259 1HE LYS 32 HE1 LYS 32 6.632 -13.010 8.620 260 2HE LYS 32 HE2 LYS 32 6.191 -13.642 7.022 261 1HZ LYS 32 HZ1 LYS 32 8.974 -13.922 7.898 262 2HZ LYS 32 HZ2 LYS 32 8.037 -14.958 6.929 263 3HZ LYS 32 HZ3 LYS 32 7.829 -14.947 8.616 264 H LEU 33 HN LEU 33 7.292 -7.546 4.274 265 HA LEU 33 HA LEU 33 9.414 -5.719 4.849 266 1HB LEU 33 HB2 LEU 33 7.401 -6.033 2.611 267 2HB LEU 33 HB1 LEU 33 8.677 -4.815 2.551 268 HG LEU 33 HG LEU 33 9.227 -7.754 3.038 269 1HD1 LEU 33 HD11 LEU 33 9.902 -7.830 0.650 270 2HD1 LEU 33 HD12 LEU 33 9.308 -6.183 0.441 271 3HD1 LEU 33 HD13 LEU 33 8.182 -7.485 0.826 272 1HD2 LEU 33 HD21 LEU 33 10.778 -5.354 3.158 273 2HD2 LEU 33 HD22 LEU 33 11.335 -6.291 1.772 274 3HD2 LEU 33 HD23 LEU 33 11.328 -7.014 3.381 275 H ALA 34 HN ALA 34 5.897 -5.198 4.482 276 HA ALA 34 HA ALA 34 5.883 -2.365 4.767 277 1HB ALA 34 HB1 ALA 34 3.960 -3.628 4.009 278 2HB ALA 34 HB2 ALA 34 3.509 -2.829 5.514 279 3HB ALA 34 HB3 ALA 34 3.913 -4.545 5.514 280 H LYS 35 HN LYS 35 5.470 -4.915 7.254 281 HA LYS 35 HA LYS 35 5.040 -3.190 9.443 282 1HB LYS 35 HB1 LYS 35 4.663 -5.631 9.386 283 2HB LYS 35 HB2 LYS 35 6.404 -5.900 9.331 284 1HG LYS 35 HG1 LYS 35 6.663 -4.830 11.521 285 2HG LYS 35 HG2 LYS 35 4.937 -4.471 11.571 286 1HD LYS 35 HD1 LYS 35 4.435 -6.890 11.499 287 2HD LYS 35 HD2 LYS 35 6.161 -7.247 11.452 288 1HE LYS 35 HE1 LYS 35 5.369 -7.469 13.761 289 2HE LYS 35 HE2 LYS 35 6.395 -6.026 13.656 290 1HZ LYS 35 HZ1 LYS 35 3.865 -6.019 14.582 291 2HZ LYS 35 HZ2 LYS 35 3.614 -5.608 12.953 292 3HZ LYS 35 HZ3 LYS 35 4.640 -4.663 13.923 293 H LYS 36 HN LYS 36 8.157 -4.596 8.326 294 HA LYS 36 HA LYS 36 9.734 -3.382 10.394 295 1HB LYS 36 HB2 LYS 36 10.310 -5.330 8.890 296 2HB LYS 36 HB1 LYS 36 10.578 -4.165 7.591 297 1HG LYS 36 HG1 LYS 36 12.275 -3.017 8.983 298 2HG LYS 36 HG2 LYS 36 12.017 -4.202 10.264 299 1HD LYS 36 HD1 LYS 36 12.711 -6.008 8.710 300 2HD LYS 36 HD2 LYS 36 13.012 -4.799 7.461 301 1HE LYS 36 HE2 LYS 36 14.386 -4.847 10.175 302 2HE LYS 36 HE1 LYS 36 15.112 -5.416 8.660 303 1HZ LYS 36 HZ1 LYS 36 14.098 -2.680 9.246 304 2HZ LYS 36 HZ2 LYS 36 14.585 -3.202 7.704 305 3HZ LYS 36 HZ3 LYS 36 15.712 -3.125 8.974 306 H HIS 37 HN HIS 37 9.261 -2.408 6.971 307 HA HIS 37 HA HIS 37 10.977 -0.128 7.155 308 1HB HIS 37 HB1 HIS 37 8.771 -0.965 5.260 309 2HB HIS 37 HB2 HIS 37 9.806 0.432 4.963 310 HD1 HIS 37 HD1 HIS 37 10.185 -1.598 2.883 311 HD2 HIS 37 HD2 HIS 37 12.183 -1.917 6.528 312 HE1 HIS 37 HE1 HIS 37 12.180 -3.105 2.477 313 H SER 38 HN SER 38 7.433 -0.418 7.443 314 HA SER 38 HA SER 38 6.786 2.326 7.347 315 1HB SER 38 HB1 SER 38 5.260 0.333 7.274 316 2HB SER 38 HB2 SER 38 5.497 0.139 9.010 317 HG SER 38 HG SER 38 4.614 2.559 7.856 318 H ILE 39 HN ILE 39 7.662 0.317 10.167 319 HA ILE 39 HA ILE 39 8.072 0.975 12.422 320 HB ILE 39 HB ILE 39 10.111 1.369 10.998 321 1HG1 ILE 39 HG12 ILE 39 9.843 3.421 13.205 322 2HG1 ILE 39 HG11 ILE 39 9.997 1.694 13.525 323 1HG2 ILE 39 HG21 ILE 39 8.924 4.150 10.931 324 2HG2 ILE 39 HG22 ILE 39 9.413 3.146 9.565 325 3HG2 ILE 39 HG23 ILE 39 10.635 3.845 10.627 326 1HD1 ILE 39 HD11 ILE 39 12.209 1.679 13.002 327 2HD1 ILE 39 HD12 ILE 39 12.114 3.424 13.234 328 3HD1 ILE 39 HD13 ILE 39 11.980 2.741 11.614 329 H CYS 40 HN CYS 40 5.658 2.286 11.250 330 HA CYS 40 HA CYS 40 5.757 4.878 12.760 331 1HB CYS 40 HB1 CYS 40 4.281 5.754 11.079 332 2HB CYS 40 HB2 CYS 40 5.541 4.873 10.211 333 HG CYS 40 HG CYS 40 3.222 4.092 9.267 334 HA PRO 41 HA PRO 41 2.482 3.727 15.416 335 1HB PRO 41 HB2 PRO 41 0.760 5.869 14.271 336 2HB PRO 41 HB1 PRO 41 1.267 5.611 15.950 337 1HG PRO 41 HG1 PRO 41 2.309 7.550 14.407 338 2HG PRO 41 HG2 PRO 41 3.245 6.721 15.658 339 1HD PRO 41 HD1 PRO 41 3.389 6.464 12.709 340 2HD PRO 41 HD2 PRO 41 4.654 6.222 13.932 341 H SER 42 HN SER 42 1.838 4.140 12.013 342 HA SER 42 HA SER 42 -0.509 2.297 12.196 343 1HB SER 42 HB2 SER 42 -0.402 3.228 9.616 344 2HB SER 42 HB1 SER 42 -1.319 4.003 10.910 345 HG SER 42 HG SER 42 0.271 5.312 9.663 346 H GLY 43 HN GLY 43 2.547 1.741 12.197 347 1HA GLY 43 HA1 GLY 43 3.029 0.282 9.725 348 2HA GLY 43 HA2 GLY 43 3.953 0.113 11.222 349 H LYS 44 HN LYS 44 2.123 -0.669 13.048 350 HA LYS 44 HA LYS 44 1.590 -3.432 12.478 351 1HB LYS 44 HB2 LYS 44 0.600 -1.457 14.550 352 2HB LYS 44 HB1 LYS 44 0.222 -3.178 14.609 353 1HG LYS 44 HG1 LYS 44 2.633 -3.708 14.649 354 2HG LYS 44 HG2 LYS 44 3.012 -1.986 14.589 355 1HD LYS 44 HD1 LYS 44 1.807 -1.647 16.719 356 2HD LYS 44 HD2 LYS 44 1.428 -3.369 16.778 357 1HE LYS 44 HE2 LYS 44 3.358 -3.249 18.121 358 2HE LYS 44 HE1 LYS 44 4.054 -3.641 16.537 359 1HZ LYS 44 HZ1 LYS 44 3.524 -0.837 17.299 360 2HZ LYS 44 HZ2 LYS 44 4.623 -1.440 16.152 361 3HZ LYS 44 HZ3 LYS 44 4.952 -1.596 17.811 362 H ARG 45 HN ARG 45 -0.490 -0.523 12.410 363 HA ARG 45 HA ARG 45 -2.800 -2.231 11.647 364 1HB ARG 45 HB2 ARG 45 -3.303 -0.821 13.443 365 2HB ARG 45 HB1 ARG 45 -2.340 0.508 12.804 366 1HG ARG 45 HG2 ARG 45 -4.692 1.065 12.558 367 2HG ARG 45 HG1 ARG 45 -4.018 0.757 10.958 368 1HD ARG 45 HD1 ARG 45 -4.978 -1.476 10.919 369 2HD ARG 45 HD2 ARG 45 -5.516 -1.318 12.601 370 HE ARG 45 HE ARG 45 -6.752 -0.035 10.262 371 1HH1 ARG 45 HH11 ARG 45 -6.237 0.006 13.682 372 2HH1 ARG 45 HH12 ARG 45 -7.658 0.937 14.010 373 1HH2 ARG 45 HH21 ARG 45 -8.598 1.186 10.685 374 2HH2 ARG 45 HH22 ARG 45 -8.991 1.606 12.319 375 H GLY 46 HN GLY 46 -1.091 0.690 10.485 376 1HA GLY 46 HA2 GLY 46 -2.611 0.977 8.055 377 2HA GLY 46 HA1 GLY 46 -1.002 1.643 8.341 378 H GLY 47 HN GLY 47 0.188 -0.956 8.980 379 1HA GLY 47 HA2 GLY 47 0.704 -1.938 6.280 380 2HA GLY 47 HA1 GLY 47 1.373 -2.599 7.759 381 H ASP 48 HN ASP 48 -1.864 -2.338 8.306 382 HA ASP 48 HA ASP 48 -2.921 -4.583 6.826 383 1HB ASP 48 HB2 ASP 48 -1.218 -5.598 8.425 384 2HB ASP 48 HB1 ASP 48 -2.243 -5.039 9.748 385 H LEU 49 HN LEU 49 -4.311 -2.524 6.790 386 HA LEU 49 HA LEU 49 -5.755 -1.742 9.184 387 1HB LEU 49 HB1 LEU 49 -6.089 -1.256 6.207 388 2HB LEU 49 HB2 LEU 49 -7.083 -0.463 7.430 389 HG LEU 49 HG LEU 49 -4.109 -0.347 7.754 390 1HD1 LEU 49 HD11 LEU 49 -4.577 1.931 6.345 391 2HD1 LEU 49 HD12 LEU 49 -5.653 0.815 5.505 392 3HD1 LEU 49 HD13 LEU 49 -3.929 0.459 5.622 393 1HD2 LEU 49 HD21 LEU 49 -6.528 1.284 8.458 394 2HD2 LEU 49 HD22 LEU 49 -4.953 2.074 8.372 395 3HD2 LEU 49 HD23 LEU 49 -5.210 0.740 9.496 396 H GLY 50 HN GLY 50 -6.007 -4.418 7.136 397 1HA GLY 50 HA2 GLY 50 -7.654 -6.096 6.972 398 2HA GLY 50 HA1 GLY 50 -8.565 -5.263 8.233 399 H GLU 51 HN GLU 51 -10.580 -5.096 7.254 400 HA GLU 51 HA GLU 51 -10.705 -3.914 4.517 401 1HB GLU 51 HB2 GLU 51 -12.270 -5.795 6.130 402 2HB GLU 51 HB1 GLU 51 -13.270 -4.585 5.325 403 1HG GLU 51 HG2 GLU 51 -12.459 -5.188 3.177 404 2HG GLU 51 HG1 GLU 51 -11.104 -6.088 3.852 405 H PHE 52 HN PHE 52 -11.375 -1.854 4.252 406 HA PHE 52 HA PHE 52 -12.956 -0.494 6.382 407 1HB PHE 52 HB1 PHE 52 -11.296 1.407 6.237 408 2HB PHE 52 HB2 PHE 52 -10.621 -0.070 6.927 409 HD1 PHE 52 HD1 PHE 52 -8.578 -0.846 6.075 410 HD2 PHE 52 HD2 PHE 52 -11.125 1.545 3.583 411 HE1 PHE 52 HE1 PHE 52 -6.862 -0.878 4.282 412 HE2 PHE 52 HE2 PHE 52 -9.424 1.510 1.791 413 HZ PHE 52 HZ PHE 52 -7.285 0.308 2.141 414 H ARG 53 HN ARG 53 -13.940 1.528 5.519 415 HA ARG 53 HA ARG 53 -15.040 1.117 2.916 416 1HB ARG 53 HB2 ARG 53 -14.934 3.566 4.707 417 2HB ARG 53 HB1 ARG 53 -16.016 3.370 3.330 418 1HG ARG 53 HG1 ARG 53 -17.124 1.496 4.365 419 2HG ARG 53 HG2 ARG 53 -15.931 1.443 5.664 420 1HD ARG 53 HD2 ARG 53 -16.696 3.556 6.555 421 2HD ARG 53 HD1 ARG 53 -17.724 3.840 5.138 422 HE ARG 53 HE ARG 53 -18.600 1.392 6.062 423 1HH1 ARG 53 HH11 ARG 53 -18.043 4.480 7.514 424 2HH1 ARG 53 HH12 ARG 53 -19.298 4.295 8.691 425 1HH2 ARG 53 HH21 ARG 53 -20.244 1.147 7.592 426 2HH2 ARG 53 HH22 ARG 53 -20.542 2.413 8.736 427 H GLN 54 HN GLN 54 -14.792 2.469 1.005 428 HA GLN 54 HA GLN 54 -12.113 2.872 0.182 429 1HB GLN 54 HB2 GLN 54 -13.157 3.800 -1.796 430 2HB GLN 54 HB1 GLN 54 -14.208 2.519 -1.190 431 1HG GLN 54 HG2 GLN 54 -15.594 4.203 -0.033 432 2HG GLN 54 HG1 GLN 54 -14.544 5.483 -0.638 433 1HE2 GLN 54 HE21 GLN 54 -15.841 6.533 -2.184 434 2HE2 GLN 54 HE22 GLN 54 -16.614 5.746 -3.475 435 H GLY 55 HN GLY 55 -14.032 4.874 2.196 436 1HA GLY 55 HA2 GLY 55 -12.232 7.198 1.632 437 2HA GLY 55 HA1 GLY 55 -13.936 7.393 2.041 438 H GLN 56 HN GLN 56 -11.064 5.695 3.406 439 HA GLN 56 HA GLN 56 -12.003 6.599 6.120 440 1HB GLN 56 HB2 GLN 56 -10.015 4.405 5.518 441 2HB GLN 56 HB1 GLN 56 -10.966 4.636 6.982 442 1HG GLN 56 HG1 GLN 56 -12.583 4.258 4.535 443 2HG GLN 56 HG2 GLN 56 -11.633 2.858 5.021 444 1HE2 GLN 56 HE21 GLN 56 -14.179 5.095 6.019 445 2HE2 GLN 56 HE22 GLN 56 -14.769 4.129 7.294 446 H MET 57 HN MET 57 -9.048 5.625 4.454 447 HA MET 57 HA MET 57 -7.538 7.396 6.250 448 1HB MET 57 HB2 MET 57 -7.047 5.006 6.126 449 2HB MET 57 HB1 MET 57 -6.737 5.137 4.397 450 1HG MET 57 HG2 MET 57 -4.767 6.402 4.730 451 2HG MET 57 HG1 MET 57 -5.217 6.823 6.384 452 1HE MET 57 HE1 MET 57 -6.116 4.102 7.777 453 2HE MET 57 HE2 MET 57 -5.198 5.515 8.290 454 3HE MET 57 HE3 MET 57 -4.531 3.903 8.535 455 H VAL 58 HN VAL 58 -6.653 6.403 2.939 456 HA VAL 58 HA VAL 58 -6.078 9.285 2.347 457 HB VAL 58 HB VAL 58 -4.121 7.794 2.762 458 1HG1 VAL 58 HG21 VAL 58 -3.901 5.762 1.769 459 2HG1 VAL 58 HG22 VAL 58 -4.463 6.366 0.210 460 3HG1 VAL 58 HG23 VAL 58 -5.629 5.907 1.450 461 1HG2 VAL 58 HG11 VAL 58 -3.739 8.141 -0.096 462 2HG2 VAL 58 HG12 VAL 58 -2.984 9.011 1.240 463 3HG2 VAL 58 HG13 VAL 58 -4.540 9.545 0.608 464 HA PRO 59 HA PRO 59 -9.020 8.796 -0.942 465 1HB PRO 59 HB2 PRO 59 -7.945 10.885 -2.486 466 2HB PRO 59 HB1 PRO 59 -9.208 11.050 -1.253 467 1HG PRO 59 HG1 PRO 59 -6.303 11.612 -1.082 468 2HG PRO 59 HG2 PRO 59 -7.657 12.396 -0.259 469 1HD PRO 59 HD2 PRO 59 -5.978 10.673 0.987 470 2HD PRO 59 HD1 PRO 59 -7.688 10.845 1.440 471 H ALA 60 HN ALA 60 -5.627 9.514 -1.847 472 HA ALA 60 HA ALA 60 -5.449 8.581 -4.424 473 1HB ALA 60 HB1 ALA 60 -3.687 9.346 -2.601 474 2HB ALA 60 HB2 ALA 60 -3.166 8.356 -3.964 475 3HB ALA 60 HB3 ALA 60 -3.456 7.610 -2.393 476 H PHE 61 HN PHE 61 -5.764 6.581 -1.508 477 HA PHE 61 HA PHE 61 -5.299 4.022 -2.670 478 1HB PHE 61 HB2 PHE 61 -5.455 4.503 -0.259 479 2HB PHE 61 HB1 PHE 61 -7.167 4.892 -0.443 480 HD1 PHE 61 HD1 PHE 61 -8.816 3.184 -0.479 481 HD2 PHE 61 HD2 PHE 61 -4.659 2.163 -0.869 482 HE1 PHE 61 HE1 PHE 61 -9.389 0.776 -0.283 483 HE2 PHE 61 HE2 PHE 61 -5.231 -0.243 -0.671 484 HZ PHE 61 HZ PHE 61 -7.596 -0.937 -0.378 485 H ASP 62 HN ASP 62 -8.300 5.945 -2.415 486 HA ASP 62 HA ASP 62 -10.096 3.970 -3.394 487 1HB ASP 62 HB1 ASP 62 -10.721 6.111 -2.328 488 2HB ASP 62 HB2 ASP 62 -10.096 6.991 -3.722 489 H LYS 63 HN LYS 63 -8.143 6.380 -5.146 490 HA LYS 63 HA LYS 63 -9.092 5.956 -7.772 491 1HB LYS 63 HB1 LYS 63 -7.524 7.713 -7.049 492 2HB LYS 63 HB2 LYS 63 -6.287 6.493 -6.740 493 1HG LYS 63 HG1 LYS 63 -6.331 5.851 -9.125 494 2HG LYS 63 HG2 LYS 63 -7.562 7.075 -9.432 495 1HD LYS 63 HD2 LYS 63 -5.973 8.819 -8.606 496 2HD LYS 63 HD1 LYS 63 -4.740 7.571 -8.436 497 1HE LYS 63 HE1 LYS 63 -6.165 8.074 -11.065 498 2HE LYS 63 HE2 LYS 63 -4.655 8.895 -10.624 499 1HZ LYS 63 HZ1 LYS 63 -4.806 6.006 -10.193 500 2HZ LYS 63 HZ2 LYS 63 -3.482 6.961 -10.659 501 3HZ LYS 63 HZ3 LYS 63 -4.666 6.532 -11.798 502 H VAL 64 HN VAL 64 -6.201 4.424 -6.302 503 HA VAL 64 HA VAL 64 -5.758 2.740 -8.557 504 HB VAL 64 HB VAL 64 -3.964 3.355 -7.072 505 1HG1 VAL 64 HG21 VAL 64 -4.757 1.732 -4.765 506 2HG1 VAL 64 HG22 VAL 64 -5.854 3.075 -5.062 507 3HG1 VAL 64 HG23 VAL 64 -4.138 3.381 -4.814 508 1HG2 VAL 64 HG11 VAL 64 -4.265 0.855 -7.992 509 2HG2 VAL 64 HG12 VAL 64 -4.266 0.498 -6.265 510 3HG2 VAL 64 HG13 VAL 64 -2.886 1.319 -6.996 511 H VAL 65 HN VAL 65 -7.307 1.956 -5.397 512 HA VAL 65 HA VAL 65 -7.777 -0.812 -5.977 513 HB VAL 65 HB VAL 65 -8.104 0.543 -3.796 514 1HG1 VAL 65 HG21 VAL 65 -10.773 1.022 -5.159 515 2HG1 VAL 65 HG22 VAL 65 -9.607 2.259 -4.685 516 3HG1 VAL 65 HG23 VAL 65 -10.444 1.318 -3.453 517 1HG2 VAL 65 HG11 VAL 65 -9.287 -1.248 -2.981 518 2HG2 VAL 65 HG12 VAL 65 -8.957 -1.900 -4.588 519 3HG2 VAL 65 HG13 VAL 65 -10.513 -1.144 -4.245 520 H PHE 66 HN PHE 66 -9.308 2.147 -7.102 521 HA PHE 66 HA PHE 66 -11.431 0.607 -8.522 522 1HB PHE 66 HB1 PHE 66 -11.589 2.935 -7.281 523 2HB PHE 66 HB2 PHE 66 -10.914 3.556 -8.788 524 HD1 PHE 66 HD1 PHE 66 -13.889 2.462 -7.115 525 HD2 PHE 66 HD2 PHE 66 -12.076 2.851 -10.993 526 HE1 PHE 66 HE1 PHE 66 -16.127 2.312 -8.175 527 HE2 PHE 66 HE2 PHE 66 -14.315 2.702 -12.055 528 HZ PHE 66 HZ PHE 66 -16.341 2.431 -10.645 529 H SER 67 HN SER 67 -8.252 1.699 -8.976 530 HA SER 67 HA SER 67 -8.443 1.842 -11.929 531 1HB SER 67 HB1 SER 67 -7.048 3.375 -10.355 532 2HB SER 67 HB2 SER 67 -5.948 1.999 -10.251 533 HG SER 67 HG SER 67 -6.853 2.987 -12.728 534 H CYS 68 HN CYS 68 -6.217 0.216 -9.652 535 HA CYS 68 HA CYS 68 -5.719 -1.992 -11.501 536 1HB CYS 68 HB2 CYS 68 -4.290 -2.762 -9.685 537 2HB CYS 68 HB1 CYS 68 -4.106 -1.012 -9.831 538 HG CYS 68 HG CYS 68 -6.230 -1.910 -7.787 539 HA PRO 69 HA PRO 69 -8.913 -4.661 -9.948 540 1HB PRO 69 HB1 PRO 69 -7.821 -7.072 -10.624 541 2HB PRO 69 HB2 PRO 69 -8.531 -5.970 -11.819 542 1HG PRO 69 HG2 PRO 69 -5.685 -6.516 -11.193 543 2HG PRO 69 HG1 PRO 69 -6.443 -6.097 -12.734 544 1HD PRO 69 HD2 PRO 69 -5.021 -4.351 -11.096 545 2HD PRO 69 HD1 PRO 69 -6.140 -3.874 -12.389 546 H VAL 70 HN VAL 70 -9.291 -5.936 -8.060 547 HA VAL 70 HA VAL 70 -7.522 -5.781 -5.859 548 HB VAL 70 HB VAL 70 -9.916 -6.247 -5.698 549 1HG1 VAL 70 HG11 VAL 70 -10.635 -7.523 -7.461 550 2HG1 VAL 70 HG12 VAL 70 -10.388 -8.840 -6.314 551 3HG1 VAL 70 HG13 VAL 70 -9.148 -8.471 -7.514 552 1HG2 VAL 70 HG21 VAL 70 -9.865 -8.173 -4.151 553 2HG2 VAL 70 HG22 VAL 70 -8.486 -7.107 -3.879 554 3HG2 VAL 70 HG23 VAL 70 -8.272 -8.619 -4.760 555 H LEU 71 HN LEU 71 -6.501 -7.754 -4.774 556 HA LEU 71 HA LEU 71 -4.878 -9.466 -4.833 557 1HB LEU 71 HB2 LEU 71 -6.579 -10.111 -7.258 558 2HB LEU 71 HB1 LEU 71 -5.294 -11.167 -6.678 559 HG LEU 71 HG LEU 71 -6.791 -10.528 -4.392 560 1HD1 LEU 71 HD21 LEU 71 -8.444 -9.912 -6.462 561 2HD1 LEU 71 HD22 LEU 71 -9.017 -10.531 -4.913 562 3HD1 LEU 71 HD23 LEU 71 -8.798 -11.630 -6.275 563 1HD2 LEU 71 HD11 LEU 71 -7.108 -12.858 -4.278 564 2HD2 LEU 71 HD12 LEU 71 -5.665 -12.706 -5.280 565 3HD2 LEU 71 HD13 LEU 71 -7.230 -13.019 -6.030 566 H GLU 72 HN GLU 72 -4.605 -6.829 -6.427 567 HA GLU 72 HA GLU 72 -2.325 -7.751 -8.145 568 1HB GLU 72 HB1 GLU 72 -4.475 -7.050 -9.331 569 2HB GLU 72 HB2 GLU 72 -4.182 -5.426 -8.710 570 1HG GLU 72 HG2 GLU 72 -2.971 -5.146 -10.615 571 2HG GLU 72 HG1 GLU 72 -1.729 -6.066 -9.764 572 HA PRO 73 HA PRO 73 -0.564 -4.956 -4.957 573 1HB PRO 73 HB2 PRO 73 1.875 -5.976 -6.317 574 2HB PRO 73 HB1 PRO 73 1.501 -5.900 -4.587 575 1HG PRO 73 HG1 PRO 73 1.459 -8.196 -6.020 576 2HG PRO 73 HG2 PRO 73 0.448 -7.916 -4.597 577 1HD PRO 73 HD1 PRO 73 -0.308 -8.032 -7.444 578 2HD PRO 73 HD2 PRO 73 -1.301 -8.295 -5.996 579 H THR 74 HN THR 74 -0.870 -2.883 -5.759 580 HA THR 74 HA THR 74 0.462 -2.192 -8.355 581 HB THR 74 HB THR 74 -1.953 -1.012 -6.939 582 HG1 THR 74 HG1 THR 74 -1.591 -2.824 -9.067 583 1HG2 THR 74 HG21 THR 74 -0.822 -0.457 -9.696 584 2HG2 THR 74 HG22 THR 74 -0.695 0.629 -8.312 585 3HG2 THR 74 HG23 THR 74 -2.275 0.265 -9.005 586 H GLY 75 HN GLY 75 2.066 -0.682 -8.247 587 1HA GLY 75 HA1 GLY 75 2.479 1.652 -7.050 588 2HA GLY 75 HA2 GLY 75 2.556 0.616 -5.626 589 HA PRO 76 HA PRO 76 4.015 1.646 -4.632 590 1HB PRO 76 HB1 PRO 76 6.071 3.451 -4.457 591 2HB PRO 76 HB2 PRO 76 6.145 1.817 -3.773 592 1HG PRO 76 HG2 PRO 76 7.288 2.865 -6.321 593 2HG PRO 76 HG1 PRO 76 7.983 1.721 -5.161 594 1HD PRO 76 HD1 PRO 76 6.836 0.962 -7.513 595 2HD PRO 76 HD2 PRO 76 6.865 -0.065 -6.064 596 H LEU 77 HN LEU 77 2.707 3.442 -4.642 597 HA LEU 77 HA LEU 77 2.405 4.919 -7.181 598 1HB LEU 77 HB2 LEU 77 0.833 4.775 -4.588 599 2HB LEU 77 HB1 LEU 77 0.295 5.639 -6.026 600 HG LEU 77 HG LEU 77 0.964 2.682 -5.971 601 1HD1 LEU 77 HD11 LEU 77 -1.622 2.572 -6.287 602 2HD1 LEU 77 HD12 LEU 77 -1.616 4.192 -5.590 603 3HD1 LEU 77 HD13 LEU 77 -0.986 2.830 -4.662 604 1HD2 LEU 77 HD21 LEU 77 -0.143 4.590 -8.029 605 2HD2 LEU 77 HD22 LEU 77 -0.469 2.859 -8.128 606 3HD2 LEU 77 HD23 LEU 77 1.192 3.449 -8.193 607 H HIS 78 HN HIS 78 1.813 7.357 -6.885 608 HA HIS 78 HA HIS 78 3.874 8.617 -5.131 609 1HB HIS 78 HB1 HIS 78 3.951 9.227 -7.471 610 2HB HIS 78 HB2 HIS 78 2.220 9.579 -7.483 611 HD1 HIS 78 HD1 HIS 78 1.522 11.909 -6.817 612 HD2 HIS 78 HD2 HIS 78 5.473 11.101 -5.759 613 HE1 HIS 78 HE1 HIS 78 2.484 14.078 -5.931 614 H THR 79 HN THR 79 3.218 9.595 -3.273 615 HA THR 79 HA THR 79 0.571 10.925 -3.177 616 HB THR 79 HB THR 79 0.258 8.596 -2.369 617 HG1 THR 79 HG1 THR 79 -0.984 10.163 -1.386 618 1HG2 THR 79 HG21 THR 79 2.627 9.363 -0.727 619 2HG2 THR 79 HG22 THR 79 2.236 7.819 -1.485 620 3HG2 THR 79 HG23 THR 79 1.427 8.299 0.006 621 H GLN 80 HN GLN 80 0.456 12.361 -1.202 622 HA GLN 80 HA GLN 80 2.713 14.043 -1.041 623 1HB GLN 80 HB1 GLN 80 0.427 14.711 -0.514 624 2HB GLN 80 HB2 GLN 80 0.388 13.602 0.857 625 1HG GLN 80 HG2 GLN 80 2.220 14.868 1.928 626 2HG GLN 80 HG1 GLN 80 2.247 15.982 0.561 627 1HE2 GLN 80 HE21 GLN 80 0.822 17.745 0.670 628 2HE2 GLN 80 HE22 GLN 80 -0.445 17.890 1.790 629 H PHE 81 HN PHE 81 1.682 11.455 1.185 630 HA PHE 81 HA PHE 81 3.621 11.981 3.223 631 1HB PHE 81 HB2 PHE 81 2.068 9.533 2.346 632 2HB PHE 81 HB1 PHE 81 3.036 9.573 3.820 633 HD1 PHE 81 HD1 PHE 81 2.396 10.976 5.718 634 HD2 PHE 81 HD2 PHE 81 0.033 10.882 2.128 635 HE1 PHE 81 HE1 PHE 81 0.538 12.107 6.912 636 HE2 PHE 81 HE2 PHE 81 -1.827 12.012 3.322 637 HZ PHE 81 HZ PHE 81 -1.574 12.625 5.715 638 H GLY 82 HN GLY 82 3.957 10.602 0.083 639 1HA GLY 82 HA2 GLY 82 6.561 10.462 -0.358 640 2HA GLY 82 HA1 GLY 82 6.447 9.168 0.835 641 H TYR 83 HN TYR 83 6.712 7.326 -0.394 642 HA TYR 83 HA TYR 83 5.143 7.048 -2.913 643 1HB TYR 83 HB1 TYR 83 7.567 5.843 -1.671 644 2HB TYR 83 HB2 TYR 83 6.608 4.787 -2.711 645 HD1 TYR 83 HD1 TYR 83 7.398 4.694 -4.898 646 HD2 TYR 83 HD2 TYR 83 7.599 8.418 -2.760 647 HE1 TYR 83 HE1 TYR 83 8.351 5.795 -6.907 648 HE2 TYR 83 HE2 TYR 83 8.553 9.520 -4.769 649 HH TYR 83 HH TYR 83 9.928 8.644 -6.868 650 H HIS 84 HN HIS 84 3.241 5.983 -2.834 651 HA HIS 84 HA HIS 84 2.599 4.264 -0.465 652 1HB HIS 84 HB2 HIS 84 1.040 5.930 -2.414 653 2HB HIS 84 HB1 HIS 84 0.258 4.498 -1.766 654 HD1 HIS 84 HD1 HIS 84 -1.092 6.895 -0.840 655 HD2 HIS 84 HD2 HIS 84 2.347 5.557 1.098 656 HE1 HIS 84 HE1 HIS 84 -1.137 7.912 1.478 657 H ILE 85 HN ILE 85 2.966 2.100 -0.852 658 HA ILE 85 HA ILE 85 2.228 1.060 -3.571 659 HB ILE 85 HB ILE 85 4.558 0.615 -2.580 660 1HG1 ILE 85 HG12 ILE 85 3.208 -2.012 -2.965 661 2HG1 ILE 85 HG11 ILE 85 3.026 -0.831 -4.262 662 1HG2 ILE 85 HG21 ILE 85 3.392 0.125 -0.277 663 2HG2 ILE 85 HG22 ILE 85 4.793 -0.832 -0.759 664 3HG2 ILE 85 HG23 ILE 85 3.167 -1.491 -0.948 665 1HD1 ILE 85 HD11 ILE 85 5.247 -0.904 -4.823 666 2HD1 ILE 85 HD12 ILE 85 5.136 -2.510 -4.101 667 3HD1 ILE 85 HD13 ILE 85 5.766 -1.161 -3.156 668 H ILE 86 HN ILE 86 0.324 -0.027 -3.658 669 HA ILE 86 HA ILE 86 -1.000 -0.693 -1.057 670 HB ILE 86 HB ILE 86 -1.956 0.328 -3.737 671 1HG1 ILE 86 HG11 ILE 86 -2.453 1.498 -1.004 672 2HG1 ILE 86 HG12 ILE 86 -0.948 1.820 -1.865 673 1HG2 ILE 86 HG21 ILE 86 -3.448 -1.018 -1.528 674 2HG2 ILE 86 HG22 ILE 86 -3.763 -1.022 -3.262 675 3HG2 ILE 86 HG23 ILE 86 -4.202 0.382 -2.290 676 1HD1 ILE 86 HD11 ILE 86 -3.720 2.717 -2.486 677 2HD1 ILE 86 HD12 ILE 86 -2.683 2.324 -3.857 678 3HD1 ILE 86 HD13 ILE 86 -2.189 3.565 -2.705 679 H LYS 87 HN LYS 87 -1.465 -2.803 -0.736 680 HA LYS 87 HA LYS 87 -1.639 -4.659 -3.077 681 1HB LYS 87 HB2 LYS 87 -0.102 -5.123 -1.124 682 2HB LYS 87 HB1 LYS 87 -1.531 -5.216 -0.098 683 1HG LYS 87 HG2 LYS 87 -2.403 -7.075 -1.398 684 2HG LYS 87 HG1 LYS 87 -1.059 -6.952 -2.536 685 1HD LYS 87 HD2 LYS 87 0.395 -7.208 -0.334 686 2HD LYS 87 HD1 LYS 87 -1.075 -7.954 0.292 687 1HE LYS 87 HE1 LYS 87 -0.351 -8.900 -2.403 688 2HE LYS 87 HE2 LYS 87 0.853 -9.291 -1.160 689 1HZ LYS 87 HZ1 LYS 87 -1.920 -9.573 -0.347 690 2HZ LYS 87 HZ2 LYS 87 -0.594 -10.592 -0.049 691 3HZ LYS 87 HZ3 LYS 87 -1.417 -10.677 -1.532 692 H VAL 88 HN VAL 88 -3.704 -5.187 -3.721 693 HA VAL 88 HA VAL 88 -5.963 -4.357 -1.968 694 HB VAL 88 HB VAL 88 -5.913 -5.231 -4.875 695 1HG1 VAL 88 HG11 VAL 88 -8.145 -5.271 -3.981 696 2HG1 VAL 88 HG12 VAL 88 -7.998 -3.781 -4.912 697 3HG1 VAL 88 HG13 VAL 88 -7.904 -3.734 -3.152 698 1HG2 VAL 88 HG21 VAL 88 -6.221 -2.391 -4.472 699 2HG2 VAL 88 HG22 VAL 88 -5.004 -3.244 -5.421 700 3HG2 VAL 88 HG23 VAL 88 -4.730 -2.938 -3.706 701 H LEU 89 HN LEU 89 -7.400 -5.868 -1.125 702 HA LEU 89 HA LEU 89 -7.274 -8.650 -2.121 703 1HB LEU 89 HB2 LEU 89 -7.109 -7.701 0.760 704 2HB LEU 89 HB1 LEU 89 -7.180 -9.386 0.254 705 HG LEU 89 HG LEU 89 -5.003 -7.413 -0.504 706 1HD1 LEU 89 HD11 LEU 89 -4.697 -7.969 1.789 707 2HD1 LEU 89 HD12 LEU 89 -3.626 -9.060 0.910 708 3HD1 LEU 89 HD13 LEU 89 -5.171 -9.647 1.525 709 1HD2 LEU 89 HD21 LEU 89 -5.842 -9.791 -1.771 710 2HD2 LEU 89 HD22 LEU 89 -4.392 -10.219 -0.865 711 3HD2 LEU 89 HD23 LEU 89 -4.338 -8.913 -2.049 712 H TYR 90 HN TYR 90 -9.305 -9.697 -1.895 713 HA TYR 90 HA TYR 90 -11.604 -9.986 -1.550 714 1HB TYR 90 HB2 TYR 90 -10.931 -8.010 0.651 715 2HB TYR 90 HB1 TYR 90 -12.424 -8.941 0.563 716 HD1 TYR 90 HD1 TYR 90 -12.312 -11.466 0.587 717 HD2 TYR 90 HD2 TYR 90 -8.906 -8.989 1.453 718 HE1 TYR 90 HE1 TYR 90 -11.180 -13.398 1.656 719 HE2 TYR 90 HE2 TYR 90 -7.773 -10.922 2.521 720 HH TYR 90 HH TYR 90 -8.427 -13.924 2.056 721 H ARG 91 HN ARG 91 -10.905 -6.480 -1.080 722 HA ARG 91 HA ARG 91 -11.962 -4.603 -2.059 723 1HB ARG 91 HB1 ARG 91 -11.234 -5.948 -4.072 724 2HB ARG 91 HB2 ARG 91 -12.848 -6.655 -4.107 725 1HG ARG 91 HG1 ARG 91 -13.836 -4.414 -4.359 726 2HG ARG 91 HG2 ARG 91 -12.229 -3.690 -4.293 727 1HD ARG 91 HD1 ARG 91 -12.957 -3.926 -6.642 728 2HD ARG 91 HD2 ARG 91 -11.599 -5.022 -6.326 729 HE ARG 91 HE ARG 91 -13.102 -6.845 -6.542 730 1HH1 ARG 91 HH11 ARG 91 -14.763 -3.852 -6.068 731 2HH1 ARG 91 HH12 ARG 91 -16.333 -4.538 -6.313 732 1HH2 ARG 91 HH21 ARG 91 -15.143 -7.747 -6.863 733 2HH2 ARG 91 HH22 ARG 91 -16.549 -6.740 -6.764 734 H ASN 92 HN ASN 92 -13.528 -6.689 -0.294 735 HA ASN 92 HA ASN 92 -16.088 -5.284 -0.500 736 1HB ASN 92 HB1 ASN 92 -16.078 -7.085 -2.291 737 2HB ASN 92 HB2 ASN 92 -15.983 -8.274 -0.991 738 1HD2 ASN 92 HD21 ASN 92 -17.896 -5.229 -1.346 739 2HD2 ASN 92 HD22 ASN 92 -19.395 -5.963 -1.033 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -19.592 -4.286 -4.646 2 2H ALA 1 HT2 ALA 1 -19.927 -2.682 -4.194 3 3H ALA 1 HT3 ALA 1 -20.357 -3.965 -3.167 4 HA ALA 1 HA ALA 1 -18.059 -4.477 -2.728 5 1HB ALA 1 HB1 ALA 1 -16.545 -2.573 -3.906 6 2HB ALA 1 HB2 ALA 1 -17.851 -2.671 -5.087 7 3HB ALA 1 HB3 ALA 1 -16.910 -4.109 -4.689 8 H LYS 2 HN LYS 2 -19.630 -3.421 -0.996 9 HA LYS 2 HA LYS 2 -19.437 -0.606 -0.453 10 1HB LYS 2 HB2 LYS 2 -20.094 -3.046 1.218 11 2HB LYS 2 HB1 LYS 2 -20.293 -1.394 1.803 12 1HG LYS 2 HG1 LYS 2 -21.617 -2.565 -0.665 13 2HG LYS 2 HG2 LYS 2 -22.412 -2.265 0.880 14 1HD LYS 2 HD2 LYS 2 -21.766 0.163 0.648 15 2HD LYS 2 HD1 LYS 2 -21.203 -0.203 -0.983 16 1HE LYS 2 HE1 LYS 2 -23.470 -0.992 -1.593 17 2HE LYS 2 HE2 LYS 2 -24.036 -0.619 0.046 18 1HZ LYS 2 HZ1 LYS 2 -23.027 1.671 -0.379 19 2HZ LYS 2 HZ2 LYS 2 -24.485 1.312 -1.177 20 3HZ LYS 2 HZ3 LYS 2 -23.011 1.241 -2.020 21 H THR 3 HN THR 3 -17.578 -3.418 0.682 22 HA THR 3 HA THR 3 -15.630 -1.509 1.941 23 HB THR 3 HB THR 3 -15.376 -3.242 3.694 24 HG1 THR 3 HG1 THR 3 -16.266 -4.836 1.962 25 1HG2 THR 3 HG21 THR 3 -17.152 -2.411 4.831 26 2HG2 THR 3 HG22 THR 3 -18.306 -3.026 3.647 27 3HG2 THR 3 HG23 THR 3 -17.478 -1.496 3.357 28 H ALA 4 HN ALA 4 -13.399 -2.225 1.917 29 HA ALA 4 HA ALA 4 -12.766 -4.513 0.099 30 1HB ALA 4 HB1 ALA 4 -12.888 -2.036 -0.861 31 2HB ALA 4 HB2 ALA 4 -11.599 -3.128 -1.369 32 3HB ALA 4 HB3 ALA 4 -11.289 -1.914 -0.129 33 H ALA 5 HN ALA 5 -10.674 -5.438 0.510 34 HA ALA 5 HA ALA 5 -9.495 -4.723 3.154 35 1HB ALA 5 HB1 ALA 5 -8.384 -6.919 2.874 36 2HB ALA 5 HB2 ALA 5 -9.041 -7.042 1.242 37 3HB ALA 5 HB3 ALA 5 -10.125 -7.064 2.634 38 H ALA 6 HN ALA 6 -7.426 -3.823 3.289 39 HA ALA 6 HA ALA 6 -5.815 -3.604 0.783 40 1HB ALA 6 HB1 ALA 6 -6.416 -1.166 2.431 41 2HB ALA 6 HB2 ALA 6 -7.638 -1.759 1.306 42 3HB ALA 6 HB3 ALA 6 -6.047 -1.283 0.710 43 H LEU 7 HN LEU 7 -3.676 -3.774 1.212 44 HA LEU 7 HA LEU 7 -2.665 -3.209 3.982 45 1HB LEU 7 HB1 LEU 7 -1.449 -4.768 1.671 46 2HB LEU 7 HB2 LEU 7 -0.748 -4.607 3.283 47 HG LEU 7 HG LEU 7 -3.409 -5.903 2.612 48 1HD1 LEU 7 HD11 LEU 7 -0.749 -6.898 2.573 49 2HD1 LEU 7 HD12 LEU 7 -2.246 -7.819 2.417 50 3HD1 LEU 7 HD13 LEU 7 -1.526 -7.568 4.007 51 1HD2 LEU 7 HD21 LEU 7 -2.584 -6.522 5.234 52 2HD2 LEU 7 HD22 LEU 7 -3.940 -5.499 4.762 53 3HD2 LEU 7 HD23 LEU 7 -2.358 -4.781 5.064 54 H HIS 8 HN HIS 8 -0.911 -1.661 4.137 55 HA HIS 8 HA HIS 8 -0.209 -0.266 1.573 56 1HB HIS 8 HB1 HIS 8 -1.191 0.961 4.171 57 2HB HIS 8 HB2 HIS 8 -0.610 1.881 2.782 58 HD1 HIS 8 HD1 HIS 8 -2.371 2.548 1.160 59 HD2 HIS 8 HD2 HIS 8 -3.494 -0.834 3.324 60 HE1 HIS 8 HE1 HIS 8 -4.725 1.974 0.421 61 H ILE 9 HN ILE 9 1.964 -0.040 1.408 62 HA ILE 9 HA ILE 9 3.566 0.249 3.931 63 HB ILE 9 HB ILE 9 4.398 -0.651 1.154 64 1HG1 ILE 9 HG11 ILE 9 4.203 -2.216 3.737 65 2HG1 ILE 9 HG12 ILE 9 3.009 -2.285 2.442 66 1HG2 ILE 9 HG21 ILE 9 6.326 0.323 2.030 67 2HG2 ILE 9 HG22 ILE 9 6.478 -1.336 2.616 68 3HG2 ILE 9 HG23 ILE 9 5.888 -0.071 3.693 69 1HD1 ILE 9 HD11 ILE 9 5.718 -3.472 2.578 70 2HD1 ILE 9 HD12 ILE 9 5.306 -2.723 1.037 71 3HD1 ILE 9 HD13 ILE 9 4.295 -4.013 1.688 72 H LEU 10 HN LEU 10 4.450 2.267 4.214 73 HA LEU 10 HA LEU 10 4.446 4.131 1.870 74 1HB LEU 10 HB2 LEU 10 3.009 4.871 3.648 75 2HB LEU 10 HB1 LEU 10 4.232 4.516 4.867 76 HG LEU 10 HG LEU 10 3.878 6.997 4.090 77 1HD1 LEU 10 HD11 LEU 10 6.005 7.463 4.876 78 2HD1 LEU 10 HD12 LEU 10 6.745 6.147 3.966 79 3HD1 LEU 10 HD13 LEU 10 5.823 5.797 5.428 80 1HD2 LEU 10 HD21 LEU 10 5.983 6.460 2.072 81 2HD2 LEU 10 HD22 LEU 10 4.689 7.659 2.058 82 3HD2 LEU 10 HD23 LEU 10 4.349 5.987 1.614 83 H VAL 11 HN VAL 11 6.441 4.483 1.050 84 HA VAL 11 HA VAL 11 8.840 4.150 2.806 85 HB VAL 11 HB VAL 11 8.804 4.447 -0.207 86 1HG1 VAL 11 HG21 VAL 11 10.984 4.552 0.829 87 2HG1 VAL 11 HG22 VAL 11 10.825 2.974 0.057 88 3HG1 VAL 11 HG23 VAL 11 10.641 3.124 1.806 89 1HG2 VAL 11 HG11 VAL 11 7.967 2.122 1.486 90 2HG2 VAL 11 HG12 VAL 11 8.918 1.795 0.038 91 3HG2 VAL 11 HG13 VAL 11 7.370 2.629 -0.094 92 H LYS 12 HN LYS 12 10.091 5.934 3.271 93 HA LYS 12 HA LYS 12 9.043 8.561 2.843 94 1HB LYS 12 HB1 LYS 12 11.797 7.591 3.674 95 2HB LYS 12 HB2 LYS 12 11.180 9.225 3.920 96 1HG LYS 12 HG2 LYS 12 9.811 6.745 4.996 97 2HG LYS 12 HG1 LYS 12 10.956 7.704 5.932 98 1HD LYS 12 HD2 LYS 12 9.525 9.705 5.602 99 2HD LYS 12 HD1 LYS 12 8.368 8.715 4.712 100 1HE LYS 12 HE1 LYS 12 8.000 7.314 6.708 101 2HE LYS 12 HE2 LYS 12 9.196 8.266 7.606 102 1HZ LYS 12 HZ1 LYS 12 6.525 8.857 7.340 103 2HZ LYS 12 HZ2 LYS 12 7.287 9.924 6.260 104 3HZ LYS 12 HZ3 LYS 12 7.730 9.909 7.900 105 H GLU 13 HN GLU 13 11.637 6.753 1.194 106 HA GLU 13 HA GLU 13 11.798 8.999 -0.793 107 1HB GLU 13 HB1 GLU 13 14.250 8.392 -0.872 108 2HB GLU 13 HB2 GLU 13 13.714 9.023 0.686 109 1HG GLU 13 HG1 GLU 13 13.474 6.718 1.537 110 2HG GLU 13 HG2 GLU 13 14.007 6.087 -0.019 111 H GLU 14 HN GLU 14 12.167 8.377 -2.968 112 HA GLU 14 HA GLU 14 10.947 5.991 -3.883 113 1HB GLU 14 HB2 GLU 14 11.234 8.074 -5.164 114 2HB GLU 14 HB1 GLU 14 12.978 7.824 -5.195 115 1HG GLU 14 HG1 GLU 14 12.686 5.749 -6.463 116 2HG GLU 14 HG2 GLU 14 10.931 5.921 -6.375 117 H LYS 15 HN LYS 15 14.427 6.752 -3.494 118 HA LYS 15 HA LYS 15 15.523 4.467 -4.714 119 1HB LYS 15 HB1 LYS 15 16.359 6.106 -2.304 120 2HB LYS 15 HB2 LYS 15 17.410 4.910 -3.060 121 1HG LYS 15 HG2 LYS 15 17.236 6.114 -5.208 122 2HG LYS 15 HG1 LYS 15 16.185 7.311 -4.452 123 1HD LYS 15 HD2 LYS 15 17.970 7.958 -2.914 124 2HD LYS 15 HD1 LYS 15 19.019 6.697 -3.561 125 1HE LYS 15 HE1 LYS 15 18.063 8.270 -5.761 126 2HE LYS 15 HE2 LYS 15 18.714 9.365 -4.526 127 1HZ LYS 15 HZ1 LYS 15 20.619 7.758 -4.338 128 2HZ LYS 15 HZ2 LYS 15 20.554 8.615 -5.804 129 3HZ LYS 15 HZ3 LYS 15 20.038 6.997 -5.739 130 H LEU 16 HN LEU 16 14.392 4.850 -1.352 131 HA LEU 16 HA LEU 16 15.058 2.161 -0.518 132 1HB LEU 16 HB2 LEU 16 14.470 4.367 0.789 133 2HB LEU 16 HB1 LEU 16 12.803 3.818 0.598 134 HG LEU 16 HG LEU 16 14.855 1.870 1.590 135 1HD1 LEU 16 HD11 LEU 16 15.346 3.161 3.373 136 2HD1 LEU 16 HD12 LEU 16 13.666 2.968 3.874 137 3HD1 LEU 16 HD13 LEU 16 14.143 4.365 2.909 138 1HD2 LEU 16 HD21 LEU 16 13.001 0.648 1.959 139 2HD2 LEU 16 HD22 LEU 16 12.055 1.929 1.202 140 3HD2 LEU 16 HD23 LEU 16 12.310 1.934 2.948 141 H ALA 17 HN ALA 17 12.150 3.706 -1.867 142 HA ALA 17 HA ALA 17 10.367 1.472 -1.777 143 1HB ALA 17 HB1 ALA 17 10.523 3.437 -4.056 144 2HB ALA 17 HB2 ALA 17 10.095 3.999 -2.440 145 3HB ALA 17 HB3 ALA 17 9.092 2.796 -3.249 146 H LEU 18 HN LEU 18 12.691 2.524 -4.290 147 HA LEU 18 HA LEU 18 12.329 0.309 -6.086 148 1HB LEU 18 HB2 LEU 18 14.256 2.482 -5.523 149 2HB LEU 18 HB1 LEU 18 14.961 1.073 -6.310 150 HG LEU 18 HG LEU 18 12.588 1.443 -7.698 151 1HD1 LEU 18 HD21 LEU 18 11.929 3.565 -7.230 152 2HD1 LEU 18 HD22 LEU 18 13.273 4.045 -8.265 153 3HD1 LEU 18 HD23 LEU 18 13.484 3.987 -6.515 154 1HD2 LEU 18 HD11 LEU 18 15.405 2.407 -8.260 155 2HD2 LEU 18 HD12 LEU 18 14.124 2.386 -9.472 156 3HD2 LEU 18 HD13 LEU 18 14.683 0.875 -8.752 157 H ASP 19 HN ASP 19 14.480 0.838 -3.298 158 HA ASP 19 HA ASP 19 15.858 -1.677 -3.345 159 1HB ASP 19 HB2 ASP 19 16.332 0.438 -2.014 160 2HB ASP 19 HB1 ASP 19 14.993 -0.020 -0.958 161 H LEU 20 HN LEU 20 12.860 -0.620 -1.719 162 HA LEU 20 HA LEU 20 12.205 -3.127 -0.480 163 1HB LEU 20 HB1 LEU 20 11.135 -1.209 0.329 164 2HB LEU 20 HB2 LEU 20 10.855 -0.567 -1.288 165 HG LEU 20 HG LEU 20 9.233 -2.526 -1.624 166 1HD1 LEU 20 HD11 LEU 20 10.316 -3.302 0.848 167 2HD1 LEU 20 HD12 LEU 20 8.929 -4.026 0.035 168 3HD1 LEU 20 HD13 LEU 20 8.686 -2.743 1.221 169 1HD2 LEU 20 HD21 LEU 20 8.028 -1.039 0.581 170 2HD2 LEU 20 HD22 LEU 20 7.616 -1.031 -1.134 171 3HD2 LEU 20 HD23 LEU 20 8.908 0.009 -0.532 172 H LEU 21 HN LEU 21 11.286 -1.635 -3.575 173 HA LEU 21 HA LEU 21 9.378 -3.537 -4.414 174 1HB LEU 21 HB2 LEU 21 11.053 -1.408 -5.533 175 2HB LEU 21 HB1 LEU 21 10.665 -2.658 -6.714 176 HG LEU 21 HG LEU 21 8.279 -2.412 -6.234 177 1HD1 LEU 21 HD11 LEU 21 7.448 -0.751 -4.667 178 2HD1 LEU 21 HD12 LEU 21 9.082 -0.182 -4.334 179 3HD1 LEU 21 HD13 LEU 21 8.580 -1.793 -3.812 180 1HD2 LEU 21 HD21 LEU 21 8.890 0.436 -6.511 181 2HD2 LEU 21 HD22 LEU 21 8.147 -0.667 -7.668 182 3HD2 LEU 21 HD23 LEU 21 9.903 -0.576 -7.540 183 H GLU 22 HN GLU 22 12.876 -3.444 -5.042 184 HA GLU 22 HA GLU 22 13.037 -5.870 -6.564 185 1HB GLU 22 HB1 GLU 22 14.973 -4.326 -4.820 186 2HB GLU 22 HB2 GLU 22 15.463 -5.702 -5.808 187 1HG GLU 22 HG2 GLU 22 14.068 -3.230 -6.880 188 2HG GLU 22 HG1 GLU 22 15.809 -3.504 -6.958 189 H GLN 23 HN GLN 23 13.278 -5.209 -3.073 190 HA GLN 23 HA GLN 23 14.117 -7.780 -2.214 191 1HB GLN 23 HB2 GLN 23 14.037 -5.697 -0.864 192 2HB GLN 23 HB1 GLN 23 12.274 -5.763 -0.885 193 1HG GLN 23 HG1 GLN 23 13.080 -6.714 1.212 194 2HG GLN 23 HG2 GLN 23 12.390 -8.002 0.224 195 1HE2 GLN 23 HE21 GLN 23 13.690 -9.818 0.602 196 2HE2 GLN 23 HE22 GLN 23 15.386 -9.822 0.539 197 H ILE 24 HN ILE 24 10.849 -6.494 -2.818 198 HA ILE 24 HA ILE 24 9.391 -8.821 -1.956 199 HB ILE 24 HB ILE 24 8.834 -6.596 -3.938 200 1HG1 ILE 24 HG11 ILE 24 7.843 -6.991 -1.103 201 2HG1 ILE 24 HG12 ILE 24 9.269 -6.033 -1.502 202 1HG2 ILE 24 HG21 ILE 24 6.527 -7.234 -3.895 203 2HG2 ILE 24 HG22 ILE 24 6.806 -8.404 -2.604 204 3HG2 ILE 24 HG23 ILE 24 7.431 -8.711 -4.225 205 1HD1 ILE 24 HD11 ILE 24 7.710 -4.349 -1.587 206 2HD1 ILE 24 HD12 ILE 24 6.391 -5.447 -1.993 207 3HD1 ILE 24 HD13 ILE 24 7.531 -4.938 -3.239 208 H LYS 25 HN LYS 25 10.536 -7.768 -5.190 209 HA LYS 25 HA LYS 25 9.668 -10.093 -6.640 210 1HB LYS 25 HB2 LYS 25 11.937 -8.106 -6.974 211 2HB LYS 25 HB1 LYS 25 11.541 -9.320 -8.188 212 1HG LYS 25 HG1 LYS 25 9.252 -8.407 -8.356 213 2HG LYS 25 HG2 LYS 25 9.649 -7.191 -7.140 214 1HD LYS 25 HD2 LYS 25 11.422 -6.300 -8.612 215 2HD LYS 25 HD1 LYS 25 11.026 -7.515 -9.826 216 1HE LYS 25 HE1 LYS 25 9.055 -6.452 -10.436 217 2HE LYS 25 HE2 LYS 25 8.807 -5.763 -8.820 218 1HZ LYS 25 HZ1 LYS 25 10.744 -4.342 -9.188 219 2HZ LYS 25 HZ2 LYS 25 9.562 -4.062 -10.375 220 3HZ LYS 25 HZ3 LYS 25 10.941 -4.982 -10.746 221 H ASN 26 HN ASN 26 12.720 -9.300 -4.963 222 HA ASN 26 HA ASN 26 14.152 -11.712 -5.498 223 1HB ASN 26 HB2 ASN 26 15.140 -9.701 -4.522 224 2HB ASN 26 HB1 ASN 26 14.098 -9.835 -3.113 225 1HD2 ASN 26 HD21 ASN 26 16.085 -12.286 -4.878 226 2HD2 ASN 26 HD22 ASN 26 16.931 -12.801 -3.500 227 H GLY 27 HN GLY 27 12.534 -10.830 -2.459 228 1HA GLY 27 HA2 GLY 27 12.332 -13.720 -1.838 229 2HA GLY 27 HA1 GLY 27 12.322 -12.405 -0.664 230 H ALA 28 HN ALA 28 10.358 -10.763 -1.911 231 HA ALA 28 HA ALA 28 8.010 -10.567 -2.214 232 1HB ALA 28 HB1 ALA 28 8.601 -13.120 -3.128 233 2HB ALA 28 HB2 ALA 28 7.020 -12.345 -3.227 234 3HB ALA 28 HB3 ALA 28 7.394 -13.418 -1.878 235 H ASP 29 HN ASP 29 7.450 -9.599 -0.299 236 HA ASP 29 HA ASP 29 6.259 -11.149 1.836 237 1HB ASP 29 HB2 ASP 29 9.134 -10.602 1.800 238 2HB ASP 29 HB1 ASP 29 8.360 -10.006 3.270 239 H PHE 30 HN PHE 30 4.817 -9.347 0.960 240 HA PHE 30 HA PHE 30 5.362 -6.599 1.245 241 1HB PHE 30 HB1 PHE 30 3.470 -7.924 0.100 242 2HB PHE 30 HB2 PHE 30 2.673 -7.910 1.674 243 HD1 PHE 30 HD1 PHE 30 3.679 -5.904 -1.220 244 HD2 PHE 30 HD2 PHE 30 1.974 -5.780 2.724 245 HE1 PHE 30 HE1 PHE 30 2.860 -3.600 -1.648 246 HE2 PHE 30 HE2 PHE 30 1.154 -3.476 2.297 247 HZ PHE 30 HZ PHE 30 1.597 -2.387 0.111 248 H GLY 31 HN GLY 31 3.867 -8.850 3.589 249 1HA GLY 31 HA1 GLY 31 3.228 -6.867 5.536 250 2HA GLY 31 HA2 GLY 31 3.400 -8.588 5.873 251 H LYS 32 HN LYS 32 6.053 -9.076 5.372 252 HA LYS 32 HA LYS 32 7.312 -8.087 7.742 253 1HB LYS 32 HB2 LYS 32 8.455 -9.344 5.225 254 2HB LYS 32 HB1 LYS 32 9.299 -9.227 6.768 255 1HG LYS 32 HG1 LYS 32 7.530 -10.575 7.840 256 2HG LYS 32 HG2 LYS 32 6.684 -10.692 6.296 257 1HD LYS 32 HD2 LYS 32 8.645 -11.826 5.307 258 2HD LYS 32 HD1 LYS 32 9.489 -11.708 6.851 259 1HE LYS 32 HE1 LYS 32 8.125 -13.312 7.869 260 2HE LYS 32 HE2 LYS 32 6.777 -13.012 6.755 261 1HZ LYS 32 HZ1 LYS 32 9.406 -14.205 6.024 262 2HZ LYS 32 HZ2 LYS 32 8.123 -13.907 4.951 263 3HZ LYS 32 HZ3 LYS 32 7.952 -15.063 6.182 264 H LEU 33 HN LEU 33 7.635 -7.145 4.322 265 HA LEU 33 HA LEU 33 9.773 -5.267 4.680 266 1HB LEU 33 HB2 LEU 33 7.539 -5.583 2.656 267 2HB LEU 33 HB1 LEU 33 8.844 -4.409 2.468 268 HG LEU 33 HG LEU 33 9.320 -7.372 2.899 269 1HD1 LEU 33 HD11 LEU 33 8.183 -6.271 0.642 270 2HD1 LEU 33 HD12 LEU 33 9.132 -7.757 0.671 271 3HD1 LEU 33 HD13 LEU 33 9.903 -6.227 0.254 272 1HD2 LEU 33 HD21 LEU 33 11.513 -6.834 2.912 273 2HD2 LEU 33 HD22 LEU 33 10.999 -5.161 3.124 274 3HD2 LEU 33 HD23 LEU 33 11.334 -5.782 1.507 275 H ALA 34 HN ALA 34 6.226 -4.918 4.797 276 HA ALA 34 HA ALA 34 6.062 -2.096 5.027 277 1HB ALA 34 HB1 ALA 34 4.282 -4.001 4.824 278 2HB ALA 34 HB2 ALA 34 3.859 -2.554 5.739 279 3HB ALA 34 HB3 ALA 34 4.344 -4.023 6.585 280 H LYS 35 HN LYS 35 6.284 -4.559 7.630 281 HA LYS 35 HA LYS 35 6.352 -2.748 9.822 282 1HB LYS 35 HB1 LYS 35 7.564 -5.491 9.365 283 2HB LYS 35 HB2 LYS 35 7.450 -4.723 10.950 284 1HG LYS 35 HG1 LYS 35 5.077 -5.231 9.134 285 2HG LYS 35 HG2 LYS 35 5.549 -6.291 10.461 286 1HD LYS 35 HD1 LYS 35 5.366 -4.307 12.005 287 2HD LYS 35 HD2 LYS 35 4.697 -3.389 10.657 288 1HE LYS 35 HE1 LYS 35 2.715 -4.184 11.567 289 2HE LYS 35 HE2 LYS 35 3.100 -5.571 10.530 290 1HZ LYS 35 HZ1 LYS 35 4.271 -5.347 13.231 291 2HZ LYS 35 HZ2 LYS 35 4.016 -6.739 12.291 292 3HZ LYS 35 HZ3 LYS 35 2.703 -5.967 13.044 293 H LYS 36 HN LYS 36 9.031 -4.134 7.905 294 HA LYS 36 HA LYS 36 11.119 -3.112 9.557 295 1HB LYS 36 HB2 LYS 36 10.996 -3.974 6.654 296 2HB LYS 36 HB1 LYS 36 12.500 -3.720 7.540 297 1HG LYS 36 HG1 LYS 36 11.813 -5.421 9.194 298 2HG LYS 36 HG2 LYS 36 10.309 -5.674 8.307 299 1HD LYS 36 HD1 LYS 36 11.598 -6.374 6.321 300 2HD LYS 36 HD2 LYS 36 13.102 -6.120 7.207 301 1HE LYS 36 HE2 LYS 36 12.489 -7.860 8.819 302 2HE LYS 36 HE1 LYS 36 10.915 -8.069 8.028 303 1HZ LYS 36 HZ1 LYS 36 13.346 -8.177 6.385 304 2HZ LYS 36 HZ2 LYS 36 11.864 -8.979 6.170 305 3HZ LYS 36 HZ3 LYS 36 12.971 -9.531 7.335 306 H HIS 37 HN HIS 37 9.747 -1.822 6.509 307 HA HIS 37 HA HIS 37 11.632 0.446 6.592 308 1HB HIS 37 HB1 HIS 37 9.520 -0.573 4.682 309 2HB HIS 37 HB2 HIS 37 10.400 0.927 4.392 310 HD1 HIS 37 HD1 HIS 37 10.582 -2.536 3.589 311 HD2 HIS 37 HD2 HIS 37 13.418 0.327 4.656 312 HE1 HIS 37 HE1 HIS 37 12.825 -3.430 2.826 313 H SER 38 HN SER 38 8.141 -0.109 6.943 314 HA SER 38 HA SER 38 7.244 2.554 6.734 315 1HB SER 38 HB1 SER 38 5.886 0.462 6.785 316 2HB SER 38 HB2 SER 38 6.215 0.320 8.513 317 HG SER 38 HG SER 38 5.106 2.190 8.876 318 H ILE 39 HN ILE 39 8.007 0.760 9.746 319 HA ILE 39 HA ILE 39 8.306 1.602 11.949 320 HB ILE 39 HB ILE 39 10.464 1.805 10.648 321 1HG1 ILE 39 HG12 ILE 39 10.261 4.076 12.612 322 2HG1 ILE 39 HG11 ILE 39 10.039 2.414 13.158 323 1HG2 ILE 39 HG21 ILE 39 9.410 4.622 10.319 324 2HG2 ILE 39 HG22 ILE 39 9.930 3.508 9.055 325 3HG2 ILE 39 HG23 ILE 39 11.119 4.220 10.145 326 1HD1 ILE 39 HD11 ILE 39 12.454 3.524 13.121 327 2HD1 ILE 39 HD12 ILE 39 12.402 3.037 11.427 328 3HD1 ILE 39 HD13 ILE 39 12.234 1.826 12.698 329 H CYS 40 HN CYS 40 5.970 2.775 10.709 330 HA CYS 40 HA CYS 40 6.056 5.496 11.968 331 1HB CYS 40 HB1 CYS 40 4.803 6.346 10.123 332 2HB CYS 40 HB2 CYS 40 6.032 5.314 9.392 333 HG CYS 40 HG CYS 40 3.191 4.930 8.883 334 HA PRO 41 HA PRO 41 2.632 4.485 14.466 335 1HB PRO 41 HB2 PRO 41 0.753 6.425 13.599 336 2HB PRO 41 HB1 PRO 41 1.895 6.584 14.943 337 1HG PRO 41 HG1 PRO 41 2.059 7.634 12.190 338 2HG PRO 41 HG2 PRO 41 2.769 8.259 13.683 339 1HD PRO 41 HD1 PRO 41 4.225 7.028 11.759 340 2HD PRO 41 HD2 PRO 41 4.654 6.957 13.480 341 H SER 42 HN SER 42 2.068 4.935 11.029 342 HA SER 42 HA SER 42 -0.246 3.048 11.123 343 1HB SER 42 HB2 SER 42 -0.099 3.813 8.556 344 2HB SER 42 HB1 SER 42 -0.887 4.817 9.774 345 HG SER 42 HG SER 42 0.892 5.703 8.308 346 H GLY 43 HN GLY 43 2.903 2.658 11.242 347 1HA GLY 43 HA1 GLY 43 3.374 0.939 8.918 348 2HA GLY 43 HA2 GLY 43 4.443 1.112 10.312 349 H LYS 44 HN LYS 44 3.023 0.383 12.433 350 HA LYS 44 HA LYS 44 2.768 -2.458 12.314 351 1HB LYS 44 HB2 LYS 44 3.202 -1.095 14.337 352 2HB LYS 44 HB1 LYS 44 1.578 -0.417 14.222 353 1HG LYS 44 HG1 LYS 44 0.576 -2.584 14.597 354 2HG LYS 44 HG2 LYS 44 2.143 -3.383 14.483 355 1HD LYS 44 HD1 LYS 44 1.778 -3.216 16.810 356 2HD LYS 44 HD2 LYS 44 2.831 -1.845 16.458 357 1HE LYS 44 HE2 LYS 44 0.628 -0.497 16.143 358 2HE LYS 44 HE1 LYS 44 -0.140 -1.840 17.011 359 1HZ LYS 44 HZ1 LYS 44 1.958 0.016 17.930 360 2HZ LYS 44 HZ2 LYS 44 1.900 -1.553 18.577 361 3HZ LYS 44 HZ3 LYS 44 0.568 -0.511 18.745 362 H ARG 45 HN ARG 45 0.329 0.148 12.083 363 HA ARG 45 HA ARG 45 -1.809 -1.885 11.756 364 1HB ARG 45 HB2 ARG 45 -2.373 -0.214 13.302 365 2HB ARG 45 HB1 ARG 45 -1.608 1.060 12.356 366 1HG ARG 45 HG2 ARG 45 -3.970 1.362 12.110 367 2HG ARG 45 HG1 ARG 45 -3.408 0.661 10.597 368 1HD ARG 45 HD1 ARG 45 -5.114 -0.843 10.967 369 2HD ARG 45 HD2 ARG 45 -3.952 -1.597 12.076 370 HE ARG 45 HE ARG 45 -5.069 0.417 13.603 371 1HH1 ARG 45 HH11 ARG 45 -6.316 -2.160 11.665 372 2HH1 ARG 45 HH12 ARG 45 -7.744 -2.357 12.622 373 1HH2 ARG 45 HH21 ARG 45 -6.927 0.164 14.855 374 2HH2 ARG 45 HH22 ARG 45 -8.090 -1.045 14.425 375 H GLY 46 HN GLY 46 -0.451 0.927 9.988 376 1HA GLY 46 HA2 GLY 46 -2.172 0.758 7.724 377 2HA GLY 46 HA1 GLY 46 -0.567 1.481 7.707 378 H GLY 47 HN GLY 47 0.789 -0.975 8.556 379 1HA GLY 47 HA2 GLY 47 1.113 -2.264 5.980 380 2HA GLY 47 HA1 GLY 47 1.844 -2.788 7.487 381 H ASP 48 HN ASP 48 -1.320 -2.514 8.237 382 HA ASP 48 HA ASP 48 -2.429 -4.913 7.018 383 1HB ASP 48 HB2 ASP 48 -2.360 -6.183 9.194 384 2HB ASP 48 HB1 ASP 48 -0.763 -5.911 8.494 385 H LEU 49 HN LEU 49 -3.701 -2.649 6.939 386 HA LEU 49 HA LEU 49 -5.166 -1.813 9.275 387 1HB LEU 49 HB1 LEU 49 -5.480 -1.434 6.281 388 2HB LEU 49 HB2 LEU 49 -6.524 -0.633 7.456 389 HG LEU 49 HG LEU 49 -3.597 -0.432 7.944 390 1HD1 LEU 49 HD11 LEU 49 -3.684 -0.098 5.510 391 2HD1 LEU 49 HD12 LEU 49 -3.392 1.439 6.319 392 3HD1 LEU 49 HD13 LEU 49 -5.000 1.060 5.703 393 1HD2 LEU 49 HD21 LEU 49 -5.485 0.633 9.296 394 2HD2 LEU 49 HD22 LEU 49 -5.756 1.688 7.909 395 3HD2 LEU 49 HD23 LEU 49 -4.213 1.735 8.764 396 H GLY 50 HN GLY 50 -5.735 -4.240 6.778 397 1HA GLY 50 HA2 GLY 50 -7.270 -6.083 7.081 398 2HA GLY 50 HA1 GLY 50 -8.150 -5.118 8.267 399 H GLU 51 HN GLU 51 -10.086 -4.410 7.516 400 HA GLU 51 HA GLU 51 -10.341 -3.810 4.586 401 1HB GLU 51 HB2 GLU 51 -11.171 -6.068 5.363 402 2HB GLU 51 HB1 GLU 51 -12.333 -5.224 6.385 403 1HG GLU 51 HG2 GLU 51 -13.288 -4.125 4.387 404 2HG GLU 51 HG1 GLU 51 -12.127 -4.976 3.372 405 H PHE 52 HN PHE 52 -11.270 -1.812 4.208 406 HA PHE 52 HA PHE 52 -13.011 -0.653 6.348 407 1HB PHE 52 HB1 PHE 52 -12.033 1.577 5.508 408 2HB PHE 52 HB2 PHE 52 -10.962 0.555 6.464 409 HD1 PHE 52 HD1 PHE 52 -8.798 0.338 5.662 410 HD2 PHE 52 HD2 PHE 52 -12.019 0.848 2.861 411 HE1 PHE 52 HE1 PHE 52 -7.175 0.282 3.790 412 HE2 PHE 52 HE2 PHE 52 -10.397 0.789 0.985 413 HZ PHE 52 HZ PHE 52 -7.974 0.506 1.448 414 H ARG 53 HN ARG 53 -14.202 1.370 5.185 415 HA ARG 53 HA ARG 53 -16.045 0.154 3.410 416 1HB ARG 53 HB2 ARG 53 -15.452 3.090 3.892 417 2HB ARG 53 HB1 ARG 53 -16.954 2.444 3.244 418 1HG ARG 53 HG1 ARG 53 -15.836 1.716 5.966 419 2HG ARG 53 HG2 ARG 53 -17.072 2.942 5.696 420 1HD ARG 53 HD2 ARG 53 -18.492 1.173 4.591 421 2HD ARG 53 HD1 ARG 53 -17.284 -0.026 5.091 422 HE ARG 53 HE ARG 53 -18.009 0.259 7.335 423 1HH1 ARG 53 HH11 ARG 53 -19.147 2.785 5.267 424 2HH1 ARG 53 HH12 ARG 53 -20.136 3.511 6.487 425 1HH2 ARG 53 HH21 ARG 53 -19.289 1.206 8.933 426 2HH2 ARG 53 HH22 ARG 53 -20.216 2.621 8.558 427 H GLN 54 HN GLN 54 -16.083 2.679 1.619 428 HA GLN 54 HA GLN 54 -15.080 1.458 -0.712 429 1HB GLN 54 HB2 GLN 54 -15.518 3.677 -1.698 430 2HB GLN 54 HB1 GLN 54 -16.794 3.239 -0.562 431 1HG GLN 54 HG2 GLN 54 -15.691 4.578 1.195 432 2HG GLN 54 HG1 GLN 54 -14.413 5.016 0.061 433 1HE2 GLN 54 HE21 GLN 54 -15.305 7.299 0.640 434 2HE2 GLN 54 HE22 GLN 54 -16.592 7.881 -0.301 435 H GLY 55 HN GLY 55 -13.353 3.326 1.702 436 1HA GLY 55 HA2 GLY 55 -10.740 2.957 1.109 437 2HA GLY 55 HA1 GLY 55 -11.214 3.961 -0.255 438 H GLN 56 HN GLN 56 -10.801 3.986 3.279 439 HA GLN 56 HA GLN 56 -11.684 6.827 3.289 440 1HB GLN 56 HB2 GLN 56 -11.334 5.105 5.726 441 2HB GLN 56 HB1 GLN 56 -12.563 6.322 5.396 442 1HG GLN 56 HG1 GLN 56 -13.206 4.592 3.453 443 2HG GLN 56 HG2 GLN 56 -12.484 3.447 4.589 444 1HE2 GLN 56 HE21 GLN 56 -13.790 2.785 6.298 445 2HE2 GLN 56 HE22 GLN 56 -15.277 3.498 6.694 446 H MET 57 HN MET 57 -9.154 4.707 4.642 447 HA MET 57 HA MET 57 -7.879 6.614 6.254 448 1HB MET 57 HB2 MET 57 -7.501 4.177 6.272 449 2HB MET 57 HB1 MET 57 -6.699 4.289 4.704 450 1HG MET 57 HG2 MET 57 -5.057 5.895 5.754 451 2HG MET 57 HG1 MET 57 -5.788 5.526 7.316 452 1HE MET 57 HE1 MET 57 -4.491 2.417 4.399 453 2HE MET 57 HE2 MET 57 -3.244 3.662 4.452 454 3HE MET 57 HE3 MET 57 -4.915 4.112 4.123 455 H VAL 58 HN VAL 58 -7.285 5.880 2.810 456 HA VAL 58 HA VAL 58 -5.710 8.414 2.594 457 HB VAL 58 HB VAL 58 -4.231 6.493 3.130 458 1HG1 VAL 58 HG21 VAL 58 -5.833 4.836 2.026 459 2HG1 VAL 58 HG22 VAL 58 -4.116 4.566 1.731 460 3HG1 VAL 58 HG23 VAL 58 -5.117 5.323 0.489 461 1HG2 VAL 58 HG11 VAL 58 -2.634 7.292 1.734 462 2HG2 VAL 58 HG12 VAL 58 -3.897 8.331 1.082 463 3HG2 VAL 58 HG13 VAL 58 -3.529 6.796 0.299 464 HA PRO 59 HA PRO 59 -8.175 8.744 -1.096 465 1HB PRO 59 HB2 PRO 59 -6.520 10.627 -2.322 466 2HB PRO 59 HB1 PRO 59 -7.822 11.005 -1.178 467 1HG PRO 59 HG1 PRO 59 -4.890 10.813 -0.728 468 2HG PRO 59 HG2 PRO 59 -6.076 11.902 0.005 469 1HD PRO 59 HD2 PRO 59 -5.049 9.766 1.310 470 2HD PRO 59 HD1 PRO 59 -6.699 10.355 1.594 471 H ALA 60 HN ALA 60 -4.611 8.802 -1.518 472 HA ALA 60 HA ALA 60 -4.280 7.990 -4.116 473 1HB ALA 60 HB1 ALA 60 -2.919 7.274 -1.532 474 2HB ALA 60 HB2 ALA 60 -2.338 8.296 -2.847 475 3HB ALA 60 HB3 ALA 60 -2.353 6.543 -3.035 476 H PHE 61 HN PHE 61 -5.362 5.944 -1.438 477 HA PHE 61 HA PHE 61 -5.288 3.403 -2.740 478 1HB PHE 61 HB2 PHE 61 -5.628 3.602 -0.370 479 2HB PHE 61 HB1 PHE 61 -7.034 4.641 -0.599 480 HD1 PHE 61 HD1 PHE 61 -5.740 1.186 -1.101 481 HD2 PHE 61 HD2 PHE 61 -9.201 3.733 -0.990 482 HE1 PHE 61 HE1 PHE 61 -7.210 -0.811 -1.167 483 HE2 PHE 61 HE2 PHE 61 -10.673 1.736 -1.055 484 HZ PHE 61 HZ PHE 61 -9.679 -0.537 -1.144 485 H ASP 62 HN ASP 62 -7.767 5.965 -2.702 486 HA ASP 62 HA ASP 62 -9.871 4.539 -3.949 487 1HB ASP 62 HB1 ASP 62 -10.029 6.748 -2.850 488 2HB ASP 62 HB2 ASP 62 -9.074 7.461 -4.149 489 H LYS 63 HN LYS 63 -7.365 6.603 -5.471 490 HA LYS 63 HA LYS 63 -8.170 6.189 -8.175 491 1HB LYS 63 HB1 LYS 63 -6.588 7.907 -7.358 492 2HB LYS 63 HB2 LYS 63 -5.426 6.643 -6.954 493 1HG LYS 63 HG1 LYS 63 -4.890 7.660 -9.137 494 2HG LYS 63 HG2 LYS 63 -5.345 5.966 -9.330 495 1HD LYS 63 HD2 LYS 63 -7.634 6.642 -9.944 496 2HD LYS 63 HD1 LYS 63 -7.199 8.337 -9.724 497 1HE LYS 63 HE1 LYS 63 -5.871 8.380 -11.649 498 2HE LYS 63 HE2 LYS 63 -5.575 6.631 -11.603 499 1HZ LYS 63 HZ1 LYS 63 -8.326 7.658 -11.871 500 2HZ LYS 63 HZ2 LYS 63 -7.687 6.167 -12.373 501 3HZ LYS 63 HZ3 LYS 63 -7.334 7.582 -13.244 502 H VAL 64 HN VAL 64 -5.691 4.471 -6.233 503 HA VAL 64 HA VAL 64 -5.103 2.602 -8.374 504 HB VAL 64 HB VAL 64 -3.458 3.337 -6.703 505 1HG1 VAL 64 HG21 VAL 64 -3.750 3.174 -4.434 506 2HG1 VAL 64 HG22 VAL 64 -4.658 1.668 -4.554 507 3HG1 VAL 64 HG23 VAL 64 -5.453 3.206 -4.882 508 1HG2 VAL 64 HG11 VAL 64 -3.888 0.714 -7.550 509 2HG2 VAL 64 HG12 VAL 64 -3.598 0.560 -5.817 510 3HG2 VAL 64 HG13 VAL 64 -2.400 1.346 -6.846 511 H VAL 65 HN VAL 65 -7.007 2.294 -5.327 512 HA VAL 65 HA VAL 65 -7.615 -0.486 -5.595 513 HB VAL 65 HB VAL 65 -8.109 1.265 -3.710 514 1HG1 VAL 65 HG21 VAL 65 -9.498 2.764 -5.085 515 2HG1 VAL 65 HG22 VAL 65 -10.435 2.100 -3.748 516 3HG1 VAL 65 HG23 VAL 65 -10.638 1.452 -5.375 517 1HG2 VAL 65 HG11 VAL 65 -8.738 -0.868 -3.112 518 2HG2 VAL 65 HG12 VAL 65 -9.679 -1.114 -4.583 519 3HG2 VAL 65 HG13 VAL 65 -10.342 -0.151 -3.261 520 H PHE 66 HN PHE 66 -8.745 2.345 -7.306 521 HA PHE 66 HA PHE 66 -10.848 0.792 -8.734 522 1HB PHE 66 HB1 PHE 66 -11.298 3.080 -7.888 523 2HB PHE 66 HB2 PHE 66 -9.959 3.694 -8.859 524 HD1 PHE 66 HD1 PHE 66 -10.110 3.838 -11.293 525 HD2 PHE 66 HD2 PHE 66 -13.375 2.309 -8.951 526 HE1 PHE 66 HE1 PHE 66 -11.610 4.022 -13.263 527 HE2 PHE 66 HE2 PHE 66 -14.874 2.496 -10.920 528 HZ PHE 66 HZ PHE 66 -13.992 3.353 -13.076 529 H SER 67 HN SER 67 -7.559 1.492 -8.976 530 HA SER 67 HA SER 67 -7.447 1.474 -11.925 531 1HB SER 67 HB1 SER 67 -6.081 2.971 -10.379 532 2HB SER 67 HB2 SER 67 -5.204 1.519 -9.900 533 HG SER 67 HG SER 67 -4.860 1.219 -12.231 534 H CYS 68 HN CYS 68 -5.766 -0.305 -9.310 535 HA CYS 68 HA CYS 68 -5.119 -2.579 -10.993 536 1HB CYS 68 HB2 CYS 68 -4.380 -3.513 -8.815 537 2HB CYS 68 HB1 CYS 68 -3.820 -1.854 -9.029 538 HG CYS 68 HG CYS 68 -6.353 -2.511 -7.311 539 HA PRO 69 HA PRO 69 -8.860 -4.855 -10.430 540 1HB PRO 69 HB1 PRO 69 -7.920 -7.376 -10.916 541 2HB PRO 69 HB2 PRO 69 -8.150 -6.162 -12.187 542 1HG PRO 69 HG2 PRO 69 -5.665 -7.138 -10.935 543 2HG PRO 69 HG1 PRO 69 -5.928 -6.461 -12.545 544 1HD PRO 69 HD2 PRO 69 -4.827 -5.138 -10.312 545 2HD PRO 69 HD1 PRO 69 -5.324 -4.399 -11.847 546 H VAL 70 HN VAL 70 -8.782 -4.352 -8.057 547 HA VAL 70 HA VAL 70 -8.379 -4.964 -5.745 548 HB VAL 70 HB VAL 70 -10.679 -5.352 -6.598 549 1HG1 VAL 70 HG11 VAL 70 -10.158 -8.291 -6.646 550 2HG1 VAL 70 HG12 VAL 70 -9.668 -7.356 -8.058 551 3HG1 VAL 70 HG13 VAL 70 -11.352 -7.350 -7.540 552 1HG2 VAL 70 HG21 VAL 70 -9.978 -7.552 -4.661 553 2HG2 VAL 70 HG22 VAL 70 -11.399 -6.508 -4.672 554 3HG2 VAL 70 HG23 VAL 70 -9.832 -5.857 -4.193 555 H LEU 71 HN LEU 71 -6.132 -6.025 -6.949 556 HA LEU 71 HA LEU 71 -5.610 -8.306 -5.207 557 1HB LEU 71 HB2 LEU 71 -6.227 -8.628 -8.114 558 2HB LEU 71 HB1 LEU 71 -4.961 -9.646 -7.433 559 HG LEU 71 HG LEU 71 -7.017 -9.744 -5.541 560 1HD1 LEU 71 HD21 LEU 71 -8.259 -10.336 -8.222 561 2HD1 LEU 71 HD22 LEU 71 -8.359 -8.710 -7.541 562 3HD1 LEU 71 HD23 LEU 71 -9.050 -10.077 -6.665 563 1HD2 LEU 71 HD11 LEU 71 -5.668 -11.650 -6.063 564 2HD2 LEU 71 HD12 LEU 71 -6.146 -11.609 -7.759 565 3HD2 LEU 71 HD13 LEU 71 -7.313 -12.084 -6.525 566 H GLU 72 HN GLU 72 -4.498 -6.489 -8.085 567 HA GLU 72 HA GLU 72 -1.772 -7.318 -7.902 568 1HB GLU 72 HB1 GLU 72 -3.124 -4.895 -9.125 569 2HB GLU 72 HB2 GLU 72 -1.459 -5.370 -9.462 570 1HG GLU 72 HG2 GLU 72 -3.622 -7.417 -9.778 571 2HG GLU 72 HG1 GLU 72 -3.440 -6.186 -11.027 572 HA PRO 73 HA PRO 73 -0.415 -4.600 -4.589 573 1HB PRO 73 HB2 PRO 73 2.272 -5.120 -5.004 574 2HB PRO 73 HB1 PRO 73 1.208 -6.131 -4.010 575 1HG PRO 73 HG1 PRO 73 2.165 -6.542 -6.792 576 2HG PRO 73 HG2 PRO 73 1.859 -7.729 -5.515 577 1HD PRO 73 HD1 PRO 73 0.168 -7.289 -7.613 578 2HD PRO 73 HD2 PRO 73 -0.367 -7.889 -6.030 579 H THR 74 HN THR 74 -0.950 -2.623 -5.648 580 HA THR 74 HA THR 74 0.620 -1.799 -8.003 581 HB THR 74 HB THR 74 -1.622 -0.388 -6.532 582 HG1 THR 74 HG1 THR 74 -1.893 -2.103 -8.752 583 1HG2 THR 74 HG21 THR 74 -0.743 -0.311 -9.430 584 2HG2 THR 74 HG22 THR 74 -0.347 0.918 -8.229 585 3HG2 THR 74 HG23 THR 74 -2.027 0.653 -8.701 586 H GLY 75 HN GLY 75 2.091 -0.114 -8.020 587 1HA GLY 75 HA1 GLY 75 2.619 2.108 -6.780 588 2HA GLY 75 HA2 GLY 75 2.753 1.066 -5.365 589 HA PRO 76 HA PRO 76 4.190 2.068 -4.441 590 1HB PRO 76 HB1 PRO 76 6.343 3.733 -4.151 591 2HB PRO 76 HB2 PRO 76 6.315 2.068 -3.547 592 1HG PRO 76 HG2 PRO 76 7.617 3.193 -5.964 593 2HG PRO 76 HG1 PRO 76 8.143 1.874 -4.907 594 1HD PRO 76 HD1 PRO 76 6.958 1.548 -7.385 595 2HD PRO 76 HD2 PRO 76 7.002 0.317 -6.110 596 H LEU 77 HN LEU 77 2.716 3.676 -4.730 597 HA LEU 77 HA LEU 77 2.930 5.428 -7.100 598 1HB LEU 77 HB2 LEU 77 0.885 4.144 -6.537 599 2HB LEU 77 HB1 LEU 77 0.770 5.009 -5.006 600 HG LEU 77 HG LEU 77 0.681 7.160 -6.342 601 1HD1 LEU 77 HD11 LEU 77 1.268 6.963 -8.517 602 2HD1 LEU 77 HD12 LEU 77 -0.323 6.246 -8.772 603 3HD1 LEU 77 HD13 LEU 77 1.074 5.210 -8.483 604 1HD2 LEU 77 HD21 LEU 77 -1.552 6.987 -6.084 605 2HD2 LEU 77 HD22 LEU 77 -1.323 5.269 -5.758 606 3HD2 LEU 77 HD23 LEU 77 -1.660 5.818 -7.400 607 H HIS 78 HN HIS 78 2.517 7.779 -6.873 608 HA HIS 78 HA HIS 78 4.056 8.926 -4.677 609 1HB HIS 78 HB1 HIS 78 4.074 9.702 -7.053 610 2HB HIS 78 HB2 HIS 78 2.398 10.225 -6.862 611 HD1 HIS 78 HD1 HIS 78 2.068 12.543 -5.984 612 HD2 HIS 78 HD2 HIS 78 5.867 11.082 -5.085 613 HE1 HIS 78 HE1 HIS 78 3.321 14.443 -4.873 614 H THR 79 HN THR 79 3.204 9.516 -2.744 615 HA THR 79 HA THR 79 0.426 10.601 -2.681 616 HB THR 79 HB THR 79 0.619 8.176 -1.857 617 HG1 THR 79 HG1 THR 79 -1.123 9.211 -1.137 618 1HG2 THR 79 HG21 THR 79 2.748 9.351 -0.361 619 2HG2 THR 79 HG22 THR 79 2.205 7.676 -0.343 620 3HG2 THR 79 HG23 THR 79 1.505 8.842 0.780 621 H GLN 80 HN GLN 80 0.133 12.004 -0.701 622 HA GLN 80 HA GLN 80 2.211 13.920 -0.462 623 1HB GLN 80 HB1 GLN 80 -0.184 13.217 1.261 624 2HB GLN 80 HB2 GLN 80 0.797 14.658 1.522 625 1HG GLN 80 HG2 GLN 80 0.334 15.398 -0.785 626 2HG GLN 80 HG1 GLN 80 -0.644 13.953 -1.053 627 1HE2 GLN 80 HE21 GLN 80 -2.729 14.901 -1.212 628 2HE2 GLN 80 HE22 GLN 80 -3.443 15.812 0.030 629 H PHE 81 HN PHE 81 1.560 10.999 1.410 630 HA PHE 81 HA PHE 81 3.371 11.728 3.588 631 1HB PHE 81 HB2 PHE 81 1.957 9.167 2.782 632 2HB PHE 81 HB1 PHE 81 2.792 9.405 4.316 633 HD1 PHE 81 HD1 PHE 81 -0.170 10.241 2.318 634 HD2 PHE 81 HD2 PHE 81 1.937 11.013 5.985 635 HE1 PHE 81 HE1 PHE 81 -2.195 11.328 3.254 636 HE2 PHE 81 HE2 PHE 81 -0.089 12.100 6.920 637 HZ PHE 81 HZ PHE 81 -2.155 12.257 5.555 638 H GLY 82 HN GLY 82 3.899 10.599 0.453 639 1HA GLY 82 HA2 GLY 82 6.468 10.342 0.088 640 2HA GLY 82 HA1 GLY 82 6.306 9.031 1.258 641 H TYR 83 HN TYR 83 6.671 7.247 -0.068 642 HA TYR 83 HA TYR 83 5.068 7.025 -2.579 643 1HB TYR 83 HB1 TYR 83 7.471 5.560 -1.447 644 2HB TYR 83 HB2 TYR 83 6.687 5.116 -2.963 645 HD1 TYR 83 HD1 TYR 83 6.662 6.707 -4.883 646 HD2 TYR 83 HD2 TYR 83 8.858 7.525 -1.277 647 HE1 TYR 83 HE1 TYR 83 7.948 8.470 -6.066 648 HE2 TYR 83 HE2 TYR 83 10.143 9.289 -2.461 649 HH TYR 83 HH TYR 83 9.864 9.751 -5.931 650 H HIS 84 HN HIS 84 3.195 5.850 -2.428 651 HA HIS 84 HA HIS 84 2.919 3.858 -0.212 652 1HB HIS 84 HB2 HIS 84 0.987 5.459 -1.894 653 2HB HIS 84 HB1 HIS 84 0.447 4.027 -1.027 654 HD1 HIS 84 HD1 HIS 84 -0.643 6.753 -0.179 655 HD2 HIS 84 HD2 HIS 84 2.751 5.023 1.509 656 HE1 HIS 84 HE1 HIS 84 -0.367 7.806 2.105 657 H ILE 85 HN ILE 85 2.940 1.736 -0.705 658 HA ILE 85 HA ILE 85 2.199 0.913 -3.494 659 HB ILE 85 HB ILE 85 4.582 0.463 -2.627 660 1HG1 ILE 85 HG12 ILE 85 3.305 -2.169 -3.182 661 2HG1 ILE 85 HG11 ILE 85 3.057 -0.895 -4.377 662 1HG2 ILE 85 HG21 ILE 85 4.934 -0.961 -0.860 663 2HG2 ILE 85 HG22 ILE 85 3.458 -1.877 -1.169 664 3HG2 ILE 85 HG23 ILE 85 3.372 -0.313 -0.359 665 1HD1 ILE 85 HD11 ILE 85 5.137 -2.390 -4.679 666 2HD1 ILE 85 HD12 ILE 85 5.805 -1.535 -3.288 667 3HD1 ILE 85 HD13 ILE 85 5.388 -0.646 -4.755 668 H ILE 86 HN ILE 86 0.169 0.066 -3.462 669 HA ILE 86 HA ILE 86 -0.919 -0.832 -0.834 670 HB ILE 86 HB ILE 86 -2.208 0.300 -3.334 671 1HG1 ILE 86 HG11 ILE 86 -1.757 1.603 -0.638 672 2HG1 ILE 86 HG12 ILE 86 -0.672 1.820 -2.011 673 1HG2 ILE 86 HG21 ILE 86 -3.912 0.696 -1.193 674 2HG2 ILE 86 HG22 ILE 86 -3.274 -0.919 -0.885 675 3HG2 ILE 86 HG23 ILE 86 -4.087 -0.570 -2.409 676 1HD1 ILE 86 HD11 ILE 86 -3.628 2.307 -2.318 677 2HD1 ILE 86 HD12 ILE 86 -2.295 2.954 -3.276 678 3HD1 ILE 86 HD13 ILE 86 -2.584 3.560 -1.645 679 H LYS 87 HN LYS 87 -1.701 -2.870 -0.609 680 HA LYS 87 HA LYS 87 -2.019 -4.595 -3.032 681 1HB LYS 87 HB2 LYS 87 -0.543 -5.320 -1.151 682 2HB LYS 87 HB1 LYS 87 -1.932 -5.254 -0.068 683 1HG LYS 87 HG2 LYS 87 -3.056 -6.999 -1.275 684 2HG LYS 87 HG1 LYS 87 -1.864 -6.951 -2.573 685 1HD LYS 87 HD2 LYS 87 -1.076 -7.565 0.278 686 2HD LYS 87 HD1 LYS 87 -1.617 -8.832 -0.823 687 1HE LYS 87 HE1 LYS 87 0.176 -7.746 -2.452 688 2HE LYS 87 HE2 LYS 87 0.881 -7.169 -0.929 689 1HZ LYS 87 HZ1 LYS 87 1.698 -9.388 -1.481 690 2HZ LYS 87 HZ2 LYS 87 0.106 -9.979 -1.538 691 3HZ LYS 87 HZ3 LYS 87 0.761 -9.432 -0.068 692 H VAL 88 HN VAL 88 -4.096 -4.868 -3.740 693 HA VAL 88 HA VAL 88 -6.327 -4.077 -1.905 694 HB VAL 88 HB VAL 88 -6.062 -4.143 -4.929 695 1HG1 VAL 88 HG11 VAL 88 -8.174 -2.760 -3.263 696 2HG1 VAL 88 HG12 VAL 88 -8.395 -4.381 -3.925 697 3HG1 VAL 88 HG13 VAL 88 -8.162 -3.010 -5.010 698 1HG2 VAL 88 HG21 VAL 88 -5.347 -1.977 -4.858 699 2HG2 VAL 88 HG22 VAL 88 -4.798 -2.428 -3.243 700 3HG2 VAL 88 HG23 VAL 88 -6.336 -1.590 -3.449 701 H LEU 89 HN LEU 89 -7.881 -5.629 -1.406 702 HA LEU 89 HA LEU 89 -8.047 -8.061 -3.103 703 1HB LEU 89 HB2 LEU 89 -7.897 -7.893 -0.070 704 2HB LEU 89 HB1 LEU 89 -8.003 -9.375 -1.020 705 HG LEU 89 HG LEU 89 -5.753 -7.363 -1.291 706 1HD1 LEU 89 HD11 LEU 89 -6.196 -9.627 0.586 707 2HD1 LEU 89 HD12 LEU 89 -5.213 -8.175 0.785 708 3HD1 LEU 89 HD13 LEU 89 -4.601 -9.532 -0.160 709 1HD2 LEU 89 HD21 LEU 89 -5.697 -8.613 -3.250 710 2HD2 LEU 89 HD22 LEU 89 -6.444 -10.020 -2.494 711 3HD2 LEU 89 HD23 LEU 89 -4.743 -9.659 -2.199 712 H TYR 90 HN TYR 90 -10.009 -9.317 -2.421 713 HA TYR 90 HA TYR 90 -12.334 -9.524 -2.086 714 1HB TYR 90 HB2 TYR 90 -11.247 -7.726 0.071 715 2HB TYR 90 HB1 TYR 90 -12.943 -8.213 0.072 716 HD1 TYR 90 HD1 TYR 90 -9.611 -9.158 0.970 717 HD2 TYR 90 HD2 TYR 90 -13.435 -10.758 -0.170 718 HE1 TYR 90 HE1 TYR 90 -8.982 -11.355 1.940 719 HE2 TYR 90 HE2 TYR 90 -12.806 -12.954 0.801 720 HH TYR 90 HH TYR 90 -10.580 -13.453 2.927 721 H ARG 91 HN ARG 91 -12.053 -6.110 -1.082 722 HA ARG 91 HA ARG 91 -13.344 -4.242 -1.768 723 1HB ARG 91 HB1 ARG 91 -13.106 -5.865 -4.311 724 2HB ARG 91 HB2 ARG 91 -13.890 -4.290 -4.269 725 1HG ARG 91 HG1 ARG 91 -11.141 -4.607 -3.103 726 2HG ARG 91 HG2 ARG 91 -11.335 -4.434 -4.847 727 1HD ARG 91 HD1 ARG 91 -12.652 -2.512 -2.910 728 2HD ARG 91 HD2 ARG 91 -11.013 -2.245 -3.536 729 HE ARG 91 HE ARG 91 -12.532 -2.871 -5.790 730 1HH1 ARG 91 HH11 ARG 91 -12.670 -0.549 -3.234 731 2HH1 ARG 91 HH12 ARG 91 -13.437 0.662 -4.205 732 1HH2 ARG 91 HH21 ARG 91 -13.531 -1.300 -7.061 733 2HH2 ARG 91 HH22 ARG 91 -13.924 0.239 -6.368 734 H ASN 92 HN ASN 92 -14.734 -6.463 -0.486 735 HA ASN 92 HA ASN 92 -17.434 -5.704 -1.020 736 1HB ASN 92 HB1 ASN 92 -16.937 -6.961 -3.119 737 2HB ASN 92 HB2 ASN 92 -16.581 -8.390 -2.152 738 1HD2 ASN 92 HD21 ASN 92 -19.208 -5.979 -1.690 739 2HD2 ASN 92 HD22 ASN 92 -20.473 -7.097 -1.847 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -17.624 -8.587 -2.075 2 2H ALA 1 HT2 ALA 1 -18.752 -7.534 -2.786 3 3H ALA 1 HT3 ALA 1 -18.738 -7.756 -1.103 4 HA ALA 1 HA ALA 1 -16.242 -6.920 -1.421 5 1HB ALA 1 HB1 ALA 1 -16.846 -6.870 -3.913 6 2HB ALA 1 HB2 ALA 1 -16.117 -5.400 -3.268 7 3HB ALA 1 HB3 ALA 1 -17.858 -5.477 -3.535 8 H LYS 2 HN LYS 2 -18.355 -6.795 0.445 9 HA LYS 2 HA LYS 2 -19.708 -4.298 0.646 10 1HB LYS 2 HB2 LYS 2 -20.144 -6.354 1.971 11 2HB LYS 2 HB1 LYS 2 -18.606 -6.129 2.803 12 1HG LYS 2 HG1 LYS 2 -19.360 -4.036 3.761 13 2HG LYS 2 HG2 LYS 2 -20.835 -4.075 2.794 14 1HD LYS 2 HD2 LYS 2 -21.426 -4.854 4.993 15 2HD LYS 2 HD1 LYS 2 -21.397 -6.270 3.942 16 1HE LYS 2 HE1 LYS 2 -18.851 -6.377 4.728 17 2HE LYS 2 HE2 LYS 2 -19.495 -5.490 6.123 18 1HZ LYS 2 HZ1 LYS 2 -20.057 -7.579 6.774 19 2HZ LYS 2 HZ2 LYS 2 -20.099 -8.192 5.189 20 3HZ LYS 2 HZ3 LYS 2 -21.407 -7.288 5.790 21 H THR 3 HN THR 3 -16.485 -5.304 1.756 22 HA THR 3 HA THR 3 -15.798 -2.412 2.140 23 HB THR 3 HB THR 3 -14.592 -3.085 4.180 24 HG1 THR 3 HG1 THR 3 -15.700 -5.654 3.761 25 1HG2 THR 3 HG21 THR 3 -16.988 -4.430 4.970 26 2HG2 THR 3 HG22 THR 3 -17.418 -3.182 3.802 27 3HG2 THR 3 HG23 THR 3 -16.531 -2.752 5.264 28 H ALA 4 HN ALA 4 -13.320 -2.167 2.196 29 HA ALA 4 HA ALA 4 -12.085 -4.062 0.224 30 1HB ALA 4 HB1 ALA 4 -11.378 -2.201 -0.865 31 2HB ALA 4 HB2 ALA 4 -10.786 -1.474 0.627 32 3HB ALA 4 HB3 ALA 4 -12.479 -1.298 0.174 33 H ALA 5 HN ALA 5 -10.372 -5.236 0.995 34 HA ALA 5 HA ALA 5 -9.205 -4.557 3.646 35 1HB ALA 5 HB1 ALA 5 -9.804 -6.860 3.297 36 2HB ALA 5 HB2 ALA 5 -8.045 -6.794 3.181 37 3HB ALA 5 HB3 ALA 5 -9.022 -6.890 1.716 38 H ALA 6 HN ALA 6 -7.318 -3.402 3.727 39 HA ALA 6 HA ALA 6 -5.680 -3.253 1.212 40 1HB ALA 6 HB1 ALA 6 -7.437 -1.425 1.844 41 2HB ALA 6 HB2 ALA 6 -5.834 -0.914 1.316 42 3HB ALA 6 HB3 ALA 6 -6.235 -0.923 3.034 43 H LEU 7 HN LEU 7 -3.562 -3.626 1.558 44 HA LEU 7 HA LEU 7 -2.384 -3.095 4.265 45 1HB LEU 7 HB1 LEU 7 -1.374 -4.690 1.882 46 2HB LEU 7 HB2 LEU 7 -0.541 -4.535 3.430 47 HG LEU 7 HG LEU 7 -3.254 -5.800 2.950 48 1HD1 LEU 7 HD11 LEU 7 -0.956 -7.177 4.267 49 2HD1 LEU 7 HD12 LEU 7 -0.876 -6.949 2.520 50 3HD1 LEU 7 HD13 LEU 7 -2.220 -7.843 3.233 51 1HD2 LEU 7 HD21 LEU 7 -1.928 -4.757 5.383 52 2HD2 LEU 7 HD22 LEU 7 -2.593 -6.384 5.528 53 3HD2 LEU 7 HD23 LEU 7 -3.640 -5.041 5.067 54 H HIS 8 HN HIS 8 -0.849 -1.418 4.385 55 HA HIS 8 HA HIS 8 -0.119 -0.097 1.785 56 1HB HIS 8 HB1 HIS 8 -0.901 1.209 4.415 57 2HB HIS 8 HB2 HIS 8 -0.534 2.043 2.904 58 HD1 HIS 8 HD1 HIS 8 -2.445 2.405 1.330 59 HD2 HIS 8 HD2 HIS 8 -3.298 -0.540 4.154 60 HE1 HIS 8 HE1 HIS 8 -4.875 1.776 0.997 61 H ILE 9 HN ILE 9 2.032 0.307 1.572 62 HA ILE 9 HA ILE 9 3.678 0.506 4.073 63 HB ILE 9 HB ILE 9 4.528 -0.313 1.275 64 1HG1 ILE 9 HG11 ILE 9 4.257 -1.995 3.783 65 2HG1 ILE 9 HG12 ILE 9 3.094 -1.993 2.456 66 1HG2 ILE 9 HG21 ILE 9 6.493 -1.130 2.962 67 2HG2 ILE 9 HG22 ILE 9 5.954 0.331 3.790 68 3HG2 ILE 9 HG23 ILE 9 6.519 0.420 2.122 69 1HD1 ILE 9 HD11 ILE 9 5.887 -2.360 1.591 70 2HD1 ILE 9 HD12 ILE 9 4.439 -3.251 1.121 71 3HD1 ILE 9 HD13 ILE 9 5.281 -3.662 2.616 72 H LEU 10 HN LEU 10 4.364 2.578 4.397 73 HA LEU 10 HA LEU 10 4.214 4.540 2.164 74 1HB LEU 10 HB2 LEU 10 3.301 4.646 4.682 75 2HB LEU 10 HB1 LEU 10 4.938 5.231 4.987 76 HG LEU 10 HG LEU 10 2.845 6.425 3.162 77 1HD1 LEU 10 HD11 LEU 10 4.278 8.279 4.807 78 2HD1 LEU 10 HD12 LEU 10 3.745 6.933 5.815 79 3HD1 LEU 10 HD13 LEU 10 2.568 7.850 4.875 80 1HD2 LEU 10 HD21 LEU 10 4.759 8.111 2.688 81 2HD2 LEU 10 HD22 LEU 10 4.780 6.576 1.819 82 3HD2 LEU 10 HD23 LEU 10 5.834 6.815 3.214 83 H VAL 11 HN VAL 11 6.147 4.284 1.002 84 HA VAL 11 HA VAL 11 8.658 3.570 2.184 85 HB VAL 11 HB VAL 11 8.287 5.113 -0.395 86 1HG1 VAL 11 HG21 VAL 11 10.274 4.138 -1.032 87 2HG1 VAL 11 HG22 VAL 11 10.017 2.704 -0.037 88 3HG1 VAL 11 HG23 VAL 11 10.539 4.214 0.709 89 1HG2 VAL 11 HG11 VAL 11 8.006 2.674 -1.315 90 2HG2 VAL 11 HG12 VAL 11 6.598 3.501 -0.648 91 3HG2 VAL 11 HG13 VAL 11 7.458 2.306 0.322 92 H LYS 12 HN LYS 12 7.506 6.727 0.967 93 HA LYS 12 HA LYS 12 7.963 8.905 1.792 94 1HB LYS 12 HB1 LYS 12 8.283 7.578 3.993 95 2HB LYS 12 HB2 LYS 12 10.009 7.673 3.639 96 1HG LYS 12 HG2 LYS 12 9.858 10.129 3.511 97 2HG LYS 12 HG1 LYS 12 8.132 10.042 3.864 98 1HD LYS 12 HD2 LYS 12 8.629 8.978 6.036 99 2HD LYS 12 HD1 LYS 12 10.355 9.064 5.684 100 1HE LYS 12 HE1 LYS 12 10.455 11.322 6.115 101 2HE LYS 12 HE2 LYS 12 8.841 11.621 5.443 102 1HZ LYS 12 HZ1 LYS 12 7.925 10.404 7.382 103 2HZ LYS 12 HZ2 LYS 12 8.730 11.834 7.821 104 3HZ LYS 12 HZ3 LYS 12 9.485 10.328 8.045 105 H GLU 13 HN GLU 13 10.345 6.668 0.646 106 HA GLU 13 HA GLU 13 11.841 8.976 -0.513 107 1HB GLU 13 HB1 GLU 13 12.936 6.596 1.001 108 2HB GLU 13 HB2 GLU 13 13.944 7.616 -0.027 109 1HG GLU 13 HG1 GLU 13 13.403 9.577 1.296 110 2HG GLU 13 HG2 GLU 13 12.240 8.659 2.249 111 H GLU 14 HN GLU 14 12.281 8.667 -2.654 112 HA GLU 14 HA GLU 14 11.212 6.485 -4.159 113 1HB GLU 14 HB2 GLU 14 11.770 8.775 -4.983 114 2HB GLU 14 HB1 GLU 14 13.483 8.392 -4.817 115 1HG GLU 14 HG1 GLU 14 13.230 6.536 -6.419 116 2HG GLU 14 HG2 GLU 14 11.509 6.896 -6.573 117 H LYS 15 HN LYS 15 14.555 7.150 -3.051 118 HA LYS 15 HA LYS 15 15.814 4.887 -4.240 119 1HB LYS 15 HB1 LYS 15 16.357 6.380 -1.649 120 2HB LYS 15 HB2 LYS 15 17.505 5.303 -2.442 121 1HG LYS 15 HG2 LYS 15 17.217 6.783 -4.519 122 2HG LYS 15 HG1 LYS 15 16.420 7.938 -3.449 123 1HD LYS 15 HD2 LYS 15 18.578 7.512 -1.954 124 2HD LYS 15 HD1 LYS 15 19.283 7.065 -3.506 125 1HE LYS 15 HE1 LYS 15 17.847 9.689 -2.960 126 2HE LYS 15 HE2 LYS 15 19.607 9.489 -3.018 127 1HZ LYS 15 HZ1 LYS 15 17.767 9.691 -5.174 128 2HZ LYS 15 HZ2 LYS 15 18.597 8.211 -5.265 129 3HZ LYS 15 HZ3 LYS 15 19.461 9.673 -5.222 130 H LEU 16 HN LEU 16 14.181 5.269 -1.099 131 HA LEU 16 HA LEU 16 14.789 2.638 -0.104 132 1HB LEU 16 HB2 LEU 16 14.008 4.752 1.118 133 2HB LEU 16 HB1 LEU 16 12.387 4.368 0.537 134 HG LEU 16 HG LEU 16 13.820 2.105 1.785 135 1HD1 LEU 16 HD11 LEU 16 13.647 2.881 4.044 136 2HD1 LEU 16 HD12 LEU 16 12.778 4.334 3.548 137 3HD1 LEU 16 HD13 LEU 16 14.488 4.152 3.156 138 1HD2 LEU 16 HD21 LEU 16 11.622 1.714 2.756 139 2HD2 LEU 16 HD22 LEU 16 11.426 2.100 1.046 140 3HD2 LEU 16 HD23 LEU 16 11.085 3.322 2.271 141 H ALA 17 HN ALA 17 12.051 3.989 -1.939 142 HA ALA 17 HA ALA 17 10.398 1.652 -2.018 143 1HB ALA 17 HB1 ALA 17 9.166 3.132 -3.205 144 2HB ALA 17 HB2 ALA 17 10.390 3.187 -4.473 145 3HB ALA 17 HB3 ALA 17 10.508 4.269 -3.084 146 H LEU 18 HN LEU 18 13.034 2.775 -4.149 147 HA LEU 18 HA LEU 18 13.011 0.587 -6.004 148 1HB LEU 18 HB2 LEU 18 14.766 2.790 -5.117 149 2HB LEU 18 HB1 LEU 18 15.635 1.408 -5.777 150 HG LEU 18 HG LEU 18 13.370 1.914 -7.451 151 1HD1 LEU 18 HD21 LEU 18 13.273 4.185 -6.697 152 2HD1 LEU 18 HD22 LEU 18 14.135 4.220 -8.235 153 3HD1 LEU 18 HD23 LEU 18 15.030 4.337 -6.720 154 1HD2 LEU 18 HD11 LEU 18 15.345 2.526 -9.044 155 2HD2 LEU 18 HD12 LEU 18 15.260 0.886 -8.401 156 3HD2 LEU 18 HD13 LEU 18 16.370 2.055 -7.687 157 H ASP 19 HN ASP 19 14.655 1.044 -2.874 158 HA ASP 19 HA ASP 19 16.127 -1.409 -2.872 159 1HB ASP 19 HB2 ASP 19 16.462 0.488 -1.321 160 2HB ASP 19 HB1 ASP 19 14.878 0.184 -0.609 161 H LEU 20 HN LEU 20 12.893 -0.631 -1.515 162 HA LEU 20 HA LEU 20 12.438 -3.299 -0.574 163 1HB LEU 20 HB1 LEU 20 10.452 -2.430 0.241 164 2HB LEU 20 HB2 LEU 20 11.385 -0.954 0.030 165 HG LEU 20 HG LEU 20 10.271 -0.688 -2.234 166 1HD1 LEU 20 HD11 LEU 20 7.911 -2.193 -1.605 167 2HD1 LEU 20 HD12 LEU 20 9.287 -3.295 -1.592 168 3HD1 LEU 20 HD13 LEU 20 8.939 -2.335 -3.031 169 1HD2 LEU 20 HD21 LEU 20 9.165 0.762 -0.927 170 2HD2 LEU 20 HD22 LEU 20 9.146 -0.366 0.429 171 3HD2 LEU 20 HD23 LEU 20 7.906 -0.468 -0.822 172 H LEU 21 HN LEU 21 11.124 -1.622 -3.468 173 HA LEU 21 HA LEU 21 9.486 -3.748 -4.262 174 1HB LEU 21 HB2 LEU 21 8.957 -2.218 -5.821 175 2HB LEU 21 HB1 LEU 21 10.204 -1.193 -5.148 176 HG LEU 21 HG LEU 21 10.438 -1.379 -7.567 177 1HD1 LEU 21 HD11 LEU 21 12.442 -1.806 -5.680 178 2HD1 LEU 21 HD12 LEU 21 12.654 -1.260 -7.340 179 3HD1 LEU 21 HD13 LEU 21 12.769 -2.976 -6.958 180 1HD2 LEU 21 HD21 LEU 21 10.278 -3.300 -8.736 181 2HD2 LEU 21 HD22 LEU 21 9.608 -3.986 -7.254 182 3HD2 LEU 21 HD23 LEU 21 11.325 -4.171 -7.615 183 H GLU 22 HN GLU 22 12.905 -3.279 -4.669 184 HA GLU 22 HA GLU 22 13.446 -5.505 -6.455 185 1HB GLU 22 HB1 GLU 22 14.969 -3.586 -5.844 186 2HB GLU 22 HB2 GLU 22 15.130 -4.294 -4.238 187 1HG GLU 22 HG2 GLU 22 16.030 -6.363 -5.239 188 2HG GLU 22 HG1 GLU 22 15.865 -5.658 -6.847 189 H GLN 23 HN GLN 23 13.171 -5.116 -2.935 190 HA GLN 23 HA GLN 23 14.184 -7.603 -2.108 191 1HB GLN 23 HB2 GLN 23 13.693 -5.663 -0.674 192 2HB GLN 23 HB1 GLN 23 11.965 -5.899 -0.934 193 1HG GLN 23 HG1 GLN 23 12.558 -6.903 1.194 194 2HG GLN 23 HG2 GLN 23 12.198 -8.199 0.052 195 1HE2 GLN 23 HE21 GLN 23 13.731 -9.842 0.102 196 2HE2 GLN 23 HE22 GLN 23 15.371 -9.640 0.491 197 H ILE 24 HN ILE 24 10.779 -6.764 -2.850 198 HA ILE 24 HA ILE 24 9.634 -9.196 -1.999 199 HB ILE 24 HB ILE 24 8.883 -7.133 -4.074 200 1HG1 ILE 24 HG11 ILE 24 7.460 -7.718 -1.496 201 2HG1 ILE 24 HG12 ILE 24 8.969 -6.810 -1.458 202 1HG2 ILE 24 HG21 ILE 24 7.415 -8.650 -4.899 203 2HG2 ILE 24 HG22 ILE 24 6.545 -8.443 -3.379 204 3HG2 ILE 24 HG23 ILE 24 7.696 -9.767 -3.564 205 1HD1 ILE 24 HD11 ILE 24 6.734 -5.488 -1.684 206 2HD1 ILE 24 HD12 ILE 24 6.761 -6.040 -3.360 207 3HD1 ILE 24 HD13 ILE 24 8.077 -5.044 -2.738 208 H LYS 25 HN LYS 25 10.690 -8.312 -5.318 209 HA LYS 25 HA LYS 25 10.067 -10.832 -6.522 210 1HB LYS 25 HB2 LYS 25 12.120 -8.676 -7.084 211 2HB LYS 25 HB1 LYS 25 11.842 -10.037 -8.171 212 1HG LYS 25 HG1 LYS 25 9.465 -9.395 -8.367 213 2HG LYS 25 HG2 LYS 25 9.743 -8.034 -7.280 214 1HD LYS 25 HD2 LYS 25 11.379 -7.095 -8.877 215 2HD LYS 25 HD1 LYS 25 11.099 -8.457 -9.963 216 1HE LYS 25 HE1 LYS 25 9.522 -7.074 -10.896 217 2HE LYS 25 HE2 LYS 25 8.528 -7.567 -9.510 218 1HZ LYS 25 HZ1 LYS 25 10.293 -5.189 -9.742 219 2HZ LYS 25 HZ2 LYS 25 9.704 -5.747 -8.248 220 3HZ LYS 25 HZ3 LYS 25 8.623 -5.216 -9.448 221 H ASN 26 HN ASN 26 13.143 -9.636 -5.110 222 HA ASN 26 HA ASN 26 14.648 -12.051 -5.415 223 1HB ASN 26 HB2 ASN 26 15.471 -9.762 -4.778 224 2HB ASN 26 HB1 ASN 26 14.740 -9.985 -3.195 225 1HD2 ASN 26 HD21 ASN 26 17.231 -9.699 -2.636 226 2HD2 ASN 26 HD22 ASN 26 18.136 -11.132 -2.565 227 H GLY 27 HN GLY 27 13.021 -10.787 -2.509 228 1HA GLY 27 HA2 GLY 27 13.120 -13.520 -1.360 229 2HA GLY 27 HA1 GLY 27 12.976 -12.018 -0.446 230 H ALA 28 HN ALA 28 10.870 -10.775 -1.714 231 HA ALA 28 HA ALA 28 8.508 -10.826 -1.996 232 1HB ALA 28 HB1 ALA 28 9.132 -13.194 -2.965 233 2HB ALA 28 HB2 ALA 28 7.464 -12.867 -2.498 234 3HB ALA 28 HB3 ALA 28 8.520 -13.775 -1.417 235 H ASP 29 HN ASP 29 6.592 -11.348 -0.631 236 HA ASP 29 HA ASP 29 5.674 -11.887 1.629 237 1HB ASP 29 HB2 ASP 29 8.395 -10.842 2.441 238 2HB ASP 29 HB1 ASP 29 7.106 -11.247 3.571 239 H PHE 30 HN PHE 30 4.296 -10.197 0.749 240 HA PHE 30 HA PHE 30 4.919 -7.420 0.688 241 1HB PHE 30 HB1 PHE 30 2.512 -9.174 0.731 242 2HB PHE 30 HB2 PHE 30 2.246 -7.475 1.117 243 HD1 PHE 30 HD1 PHE 30 2.909 -9.882 -1.507 244 HD2 PHE 30 HD2 PHE 30 3.068 -5.697 -0.513 245 HE1 PHE 30 HE1 PHE 30 3.033 -9.312 -3.918 246 HE2 PHE 30 HE2 PHE 30 3.193 -5.132 -2.926 247 HZ PHE 30 HZ PHE 30 3.175 -6.938 -4.628 248 H GLY 31 HN GLY 31 3.256 -9.320 3.241 249 1HA GLY 31 HA1 GLY 31 2.876 -7.137 5.020 250 2HA GLY 31 HA2 GLY 31 2.897 -8.830 5.507 251 H LYS 32 HN LYS 32 5.517 -9.546 4.901 252 HA LYS 32 HA LYS 32 6.912 -8.616 7.202 253 1HB LYS 32 HB2 LYS 32 7.246 -10.774 6.009 254 2HB LYS 32 HB1 LYS 32 7.967 -9.898 4.657 255 1HG LYS 32 HG1 LYS 32 9.745 -9.057 6.130 256 2HG LYS 32 HG2 LYS 32 9.014 -9.882 7.506 257 1HD LYS 32 HD2 LYS 32 9.333 -12.055 6.354 258 2HD LYS 32 HD1 LYS 32 10.096 -11.216 5.004 259 1HE LYS 32 HE1 LYS 32 12.000 -11.761 6.220 260 2HE LYS 32 HE2 LYS 32 11.604 -10.224 7.011 261 1HZ LYS 32 HZ1 LYS 32 10.945 -11.273 8.866 262 2HZ LYS 32 HZ2 LYS 32 11.764 -12.633 8.262 263 3HZ LYS 32 HZ3 LYS 32 10.093 -12.467 8.013 264 H LEU 33 HN LEU 33 7.167 -7.654 3.777 265 HA LEU 33 HA LEU 33 9.375 -5.853 4.062 266 1HB LEU 33 HB2 LEU 33 8.625 -6.651 1.910 267 2HB LEU 33 HB1 LEU 33 7.000 -6.022 2.186 268 HG LEU 33 HG LEU 33 7.943 -3.720 2.264 269 1HD1 LEU 33 HD11 LEU 33 10.300 -4.777 2.849 270 2HD1 LEU 33 HD12 LEU 33 10.200 -3.261 1.955 271 3HD1 LEU 33 HD13 LEU 33 10.494 -4.774 1.097 272 1HD2 LEU 33 HD21 LEU 33 8.997 -4.713 -0.312 273 2HD2 LEU 33 HD22 LEU 33 7.734 -3.522 0.004 274 3HD2 LEU 33 HD23 LEU 33 7.360 -5.245 0.072 275 H ALA 34 HN ALA 34 5.850 -5.388 4.397 276 HA ALA 34 HA ALA 34 5.837 -2.562 4.629 277 1HB ALA 34 HB1 ALA 34 4.127 -4.792 5.744 278 2HB ALA 34 HB2 ALA 34 3.795 -3.758 4.354 279 3HB ALA 34 HB3 ALA 34 3.711 -3.095 5.986 280 H LYS 35 HN LYS 35 6.010 -5.021 7.251 281 HA LYS 35 HA LYS 35 6.283 -3.169 9.410 282 1HB LYS 35 HB1 LYS 35 5.777 -5.549 9.680 283 2HB LYS 35 HB2 LYS 35 7.350 -5.984 9.011 284 1HG LYS 35 HG1 LYS 35 8.473 -4.838 10.879 285 2HG LYS 35 HG2 LYS 35 6.910 -4.363 11.540 286 1HD LYS 35 HD1 LYS 35 6.306 -6.658 11.961 287 2HD LYS 35 HD2 LYS 35 7.710 -7.247 11.071 288 1HE LYS 35 HE1 LYS 35 8.082 -5.432 13.455 289 2HE LYS 35 HE2 LYS 35 7.864 -7.179 13.675 290 1HZ LYS 35 HZ1 LYS 35 9.714 -6.211 11.603 291 2HZ LYS 35 HZ2 LYS 35 9.758 -7.658 12.492 292 3HZ LYS 35 HZ3 LYS 35 10.232 -6.196 13.218 293 H LYS 36 HN LYS 36 8.794 -4.850 7.493 294 HA LYS 36 HA LYS 36 11.030 -3.938 8.937 295 1HB LYS 36 HB2 LYS 36 11.003 -5.741 7.260 296 2HB LYS 36 HB1 LYS 36 10.722 -4.559 5.983 297 1HG LYS 36 HG1 LYS 36 13.104 -5.137 6.078 298 2HG LYS 36 HG2 LYS 36 12.874 -3.456 6.566 299 1HD LYS 36 HD1 LYS 36 12.986 -4.090 8.924 300 2HD LYS 36 HD2 LYS 36 13.104 -5.795 8.486 301 1HE LYS 36 HE2 LYS 36 15.116 -3.795 7.441 302 2HE LYS 36 HE1 LYS 36 15.321 -4.561 9.027 303 1HZ LYS 36 HZ1 LYS 36 14.522 -6.303 6.833 304 2HZ LYS 36 HZ2 LYS 36 15.601 -6.597 8.110 305 3HZ LYS 36 HZ3 LYS 36 16.107 -5.706 6.756 306 H HIS 37 HN HIS 37 9.453 -2.415 6.105 307 HA HIS 37 HA HIS 37 11.374 -0.147 6.304 308 1HB HIS 37 HB1 HIS 37 9.606 -1.388 4.233 309 2HB HIS 37 HB2 HIS 37 10.037 0.312 4.044 310 HD1 HIS 37 HD1 HIS 37 11.321 -3.059 3.487 311 HD2 HIS 37 HD2 HIS 37 12.991 0.713 4.089 312 HE1 HIS 37 HE1 HIS 37 13.731 -3.212 2.722 313 H SER 38 HN SER 38 8.272 -0.886 7.383 314 HA SER 38 HA SER 38 6.737 1.407 6.759 315 1HB SER 38 HB1 SER 38 5.528 -0.285 7.755 316 2HB SER 38 HB2 SER 38 6.832 -0.696 8.871 317 HG SER 38 HG SER 38 5.428 1.744 9.044 318 H ILE 39 HN ILE 39 8.874 0.824 9.570 319 HA ILE 39 HA ILE 39 9.553 2.315 11.285 320 HB ILE 39 HB ILE 39 10.992 2.712 9.249 321 1HG1 ILE 39 HG12 ILE 39 10.578 5.293 10.752 322 2HG1 ILE 39 HG11 ILE 39 11.198 3.860 11.572 323 1HG2 ILE 39 HG21 ILE 39 8.966 4.927 8.861 324 2HG2 ILE 39 HG22 ILE 39 9.427 3.672 7.712 325 3HG2 ILE 39 HG23 ILE 39 10.566 4.956 8.117 326 1HD1 ILE 39 HD11 ILE 39 12.671 5.708 10.030 327 2HD1 ILE 39 HD12 ILE 39 12.572 4.242 9.054 328 3HD1 ILE 39 HD13 ILE 39 13.244 4.174 10.684 329 H CYS 40 HN CYS 40 6.656 2.459 10.534 330 HA CYS 40 HA CYS 40 6.144 5.246 11.513 331 1HB CYS 40 HB1 CYS 40 5.625 5.194 9.166 332 2HB CYS 40 HB2 CYS 40 4.796 3.643 9.323 333 HG CYS 40 HG CYS 40 2.776 4.790 10.310 334 HA PRO 41 HA PRO 41 4.187 3.213 14.865 335 1HB PRO 41 HB2 PRO 41 2.268 5.492 14.747 336 2HB PRO 41 HB1 PRO 41 3.247 4.913 16.107 337 1HG PRO 41 HG1 PRO 41 3.867 7.139 14.747 338 2HG PRO 41 HG2 PRO 41 5.102 6.078 15.434 339 1HD PRO 41 HD1 PRO 41 4.293 6.450 12.606 340 2HD PRO 41 HD2 PRO 41 5.866 5.983 13.284 341 H SER 42 HN SER 42 2.296 4.407 12.121 342 HA SER 42 HA SER 42 0.097 2.497 12.754 343 1HB SER 42 HB2 SER 42 -0.167 4.147 10.355 344 2HB SER 42 HB1 SER 42 -1.205 4.078 11.781 345 HG SER 42 HG SER 42 -0.317 6.088 11.761 346 H GLY 43 HN GLY 43 2.963 2.125 11.354 347 1HA GLY 43 HA1 GLY 43 1.934 0.721 8.932 348 2HA GLY 43 HA2 GLY 43 3.611 1.216 9.172 349 H LYS 44 HN LYS 44 4.531 0.178 11.353 350 HA LYS 44 HA LYS 44 4.665 -2.654 11.012 351 1HB LYS 44 HB2 LYS 44 5.232 -0.826 13.368 352 2HB LYS 44 HB1 LYS 44 5.745 -2.510 13.284 353 1HG LYS 44 HG1 LYS 44 7.027 -2.016 11.232 354 2HG LYS 44 HG2 LYS 44 6.513 -0.331 11.317 355 1HD LYS 44 HD1 LYS 44 7.616 -0.108 13.517 356 2HD LYS 44 HD2 LYS 44 8.133 -1.791 13.426 357 1HE LYS 44 HE2 LYS 44 9.424 -1.278 11.366 358 2HE LYS 44 HE1 LYS 44 8.929 0.420 11.497 359 1HZ LYS 44 HZ1 LYS 44 10.406 -1.148 13.551 360 2HZ LYS 44 HZ2 LYS 44 9.861 0.448 13.753 361 3HZ LYS 44 HZ3 LYS 44 11.052 0.093 12.594 362 H ARG 45 HN ARG 45 2.715 -0.627 13.192 363 HA ARG 45 HA ARG 45 1.300 -3.055 14.192 364 1HB ARG 45 HB2 ARG 45 2.070 -1.693 15.956 365 2HB ARG 45 HB1 ARG 45 1.699 -0.203 15.087 366 1HG ARG 45 HG2 ARG 45 0.043 -0.479 16.830 367 2HG ARG 45 HG1 ARG 45 -0.742 -0.788 15.282 368 1HD ARG 45 HD1 ARG 45 -0.609 -3.190 15.622 369 2HD ARG 45 HD2 ARG 45 0.378 -2.969 17.080 370 HE ARG 45 HE ARG 45 -1.987 -1.427 17.401 371 1HH1 ARG 45 HH11 ARG 45 -0.989 -4.721 17.080 372 2HH1 ARG 45 HH12 ARG 45 -2.289 -5.341 18.040 373 1HH2 ARG 45 HH21 ARG 45 -3.683 -2.228 18.656 374 2HH2 ARG 45 HH22 ARG 45 -3.811 -3.933 18.931 375 H GLY 46 HN GLY 46 0.804 -0.004 12.462 376 1HA GLY 46 HA2 GLY 46 -2.099 -0.582 12.257 377 2HA GLY 46 HA1 GLY 46 -1.330 0.952 11.852 378 H GLY 47 HN GLY 47 0.685 -1.239 10.506 379 1HA GLY 47 HA2 GLY 47 0.048 -0.650 7.835 380 2HA GLY 47 HA1 GLY 47 0.930 -2.099 8.324 381 H ASP 48 HN ASP 48 -0.895 -3.519 9.719 382 HA ASP 48 HA ASP 48 -2.883 -4.426 7.771 383 1HB ASP 48 HB2 ASP 48 -1.643 -5.821 9.494 384 2HB ASP 48 HB1 ASP 48 -2.614 -5.023 10.733 385 H LEU 49 HN LEU 49 -4.540 -2.935 7.400 386 HA LEU 49 HA LEU 49 -5.763 -1.592 9.785 387 1HB LEU 49 HB1 LEU 49 -5.631 -0.959 6.824 388 2HB LEU 49 HB2 LEU 49 -6.697 -0.088 7.924 389 HG LEU 49 HG LEU 49 -4.141 -0.163 9.164 390 1HD1 LEU 49 HD11 LEU 49 -3.392 1.382 6.918 391 2HD1 LEU 49 HD12 LEU 49 -3.916 -0.178 6.287 392 3HD1 LEU 49 HD13 LEU 49 -2.635 -0.100 7.500 393 1HD2 LEU 49 HD21 LEU 49 -5.627 1.643 9.558 394 2HD2 LEU 49 HD22 LEU 49 -5.820 1.961 7.834 395 3HD2 LEU 49 HD23 LEU 49 -4.297 2.347 8.638 396 H GLY 50 HN GLY 50 -6.230 -4.253 7.877 397 1HA GLY 50 HA2 GLY 50 -8.097 -5.658 7.643 398 2HA GLY 50 HA1 GLY 50 -8.956 -4.588 8.749 399 H GLU 51 HN GLU 51 -10.839 -4.107 7.686 400 HA GLU 51 HA GLU 51 -10.612 -3.224 4.836 401 1HB GLU 51 HB2 GLU 51 -12.465 -4.998 6.351 402 2HB GLU 51 HB1 GLU 51 -13.158 -4.043 5.040 403 1HG GLU 51 HG2 GLU 51 -11.926 -5.129 3.414 404 2HG GLU 51 HG1 GLU 51 -10.595 -5.485 4.511 405 H PHE 52 HN PHE 52 -11.544 -1.294 4.278 406 HA PHE 52 HA PHE 52 -13.258 0.084 6.319 407 1HB PHE 52 HB1 PHE 52 -12.276 2.188 5.119 408 2HB PHE 52 HB2 PHE 52 -11.256 1.336 6.276 409 HD1 PHE 52 HD1 PHE 52 -12.188 0.969 2.648 410 HD2 PHE 52 HD2 PHE 52 -9.058 1.028 5.594 411 HE1 PHE 52 HE1 PHE 52 -10.504 0.575 0.867 412 HE2 PHE 52 HE2 PHE 52 -7.374 0.635 3.816 413 HZ PHE 52 HZ PHE 52 -8.096 0.407 1.450 414 H ARG 53 HN ARG 53 -14.661 1.825 5.107 415 HA ARG 53 HA ARG 53 -15.573 0.645 2.502 416 1HB ARG 53 HB2 ARG 53 -17.848 1.150 3.257 417 2HB ARG 53 HB1 ARG 53 -17.028 0.178 4.478 418 1HG ARG 53 HG1 ARG 53 -16.609 2.110 5.848 419 2HG ARG 53 HG2 ARG 53 -17.133 3.203 4.568 420 1HD ARG 53 HD2 ARG 53 -19.021 3.059 6.024 421 2HD ARG 53 HD1 ARG 53 -19.405 1.933 4.712 422 HE ARG 53 HE ARG 53 -19.034 0.122 6.211 423 1HH1 ARG 53 HH11 ARG 53 -17.879 3.124 7.479 424 2HH1 ARG 53 HH12 ARG 53 -17.619 2.496 9.071 425 1HH2 ARG 53 HH21 ARG 53 -18.694 -0.702 8.282 426 2HH2 ARG 53 HH22 ARG 53 -18.077 0.335 9.523 427 H GLN 54 HN GLN 54 -16.109 2.100 0.897 428 HA GLN 54 HA GLN 54 -16.374 4.203 -0.201 429 1HB GLN 54 HB2 GLN 54 -15.499 5.495 2.405 430 2HB GLN 54 HB1 GLN 54 -16.323 6.251 1.052 431 1HG GLN 54 HG2 GLN 54 -18.253 4.660 1.451 432 2HG GLN 54 HG1 GLN 54 -17.468 4.205 2.960 433 1HE2 GLN 54 HE21 GLN 54 -19.752 6.318 1.726 434 2HE2 GLN 54 HE22 GLN 54 -19.668 7.527 2.915 435 H GLY 55 HN GLY 55 -13.650 3.756 2.047 436 1HA GLY 55 HA2 GLY 55 -11.474 3.352 0.671 437 2HA GLY 55 HA1 GLY 55 -11.845 4.934 -0.020 438 H GLN 56 HN GLN 56 -12.583 6.465 1.993 439 HA GLN 56 HA GLN 56 -11.561 7.851 3.636 440 1HB GLN 56 HB2 GLN 56 -11.420 6.152 5.734 441 2HB GLN 56 HB1 GLN 56 -12.945 6.758 5.104 442 1HG GLN 56 HG1 GLN 56 -12.986 4.675 3.602 443 2HG GLN 56 HG2 GLN 56 -11.674 4.054 4.602 444 1HE2 GLN 56 HE21 GLN 56 -12.232 3.233 6.672 445 2HE2 GLN 56 HE22 GLN 56 -13.819 3.247 7.284 446 H MET 57 HN MET 57 -10.085 4.964 4.873 447 HA MET 57 HA MET 57 -7.723 5.155 5.748 448 1HB MET 57 HB2 MET 57 -8.317 3.101 4.731 449 2HB MET 57 HB1 MET 57 -8.376 3.826 3.122 450 1HG MET 57 HG2 MET 57 -6.319 2.442 3.498 451 2HG MET 57 HG1 MET 57 -5.949 4.129 3.136 452 1HE MET 57 HE1 MET 57 -3.813 4.022 3.778 453 2HE MET 57 HE2 MET 57 -3.171 4.177 5.413 454 3HE MET 57 HE3 MET 57 -4.165 5.466 4.736 455 H VAL 58 HN VAL 58 -7.520 5.512 2.200 456 HA VAL 58 HA VAL 58 -5.929 7.996 2.464 457 HB VAL 58 HB VAL 58 -4.390 6.103 2.938 458 1HG1 VAL 58 HG21 VAL 58 -5.891 4.676 1.224 459 2HG1 VAL 58 HG22 VAL 58 -4.220 4.249 1.593 460 3HG1 VAL 58 HG23 VAL 58 -4.598 5.153 0.126 461 1HG2 VAL 58 HG11 VAL 58 -4.021 8.165 1.079 462 2HG2 VAL 58 HG12 VAL 58 -3.378 6.728 0.285 463 3HG2 VAL 58 HG13 VAL 58 -2.754 7.220 1.859 464 HA PRO 59 HA PRO 59 -8.099 8.772 -1.324 465 1HB PRO 59 HB2 PRO 59 -6.034 10.476 -2.302 466 2HB PRO 59 HB1 PRO 59 -7.520 10.967 -1.472 467 1HG PRO 59 HG1 PRO 59 -4.781 10.682 -0.425 468 2HG PRO 59 HG2 PRO 59 -6.109 11.699 0.144 469 1HD PRO 59 HD2 PRO 59 -5.276 9.481 1.465 470 2HD PRO 59 HD1 PRO 59 -6.958 10.049 1.500 471 H ALA 60 HN ALA 60 -4.532 8.493 -1.609 472 HA ALA 60 HA ALA 60 -4.222 7.659 -4.218 473 1HB ALA 60 HB1 ALA 60 -2.419 7.957 -2.572 474 2HB ALA 60 HB2 ALA 60 -2.277 6.377 -3.340 475 3HB ALA 60 HB3 ALA 60 -2.945 6.509 -1.714 476 H PHE 61 HN PHE 61 -5.432 5.686 -1.516 477 HA PHE 61 HA PHE 61 -5.411 3.142 -2.785 478 1HB PHE 61 HB2 PHE 61 -5.797 3.529 -0.395 479 2HB PHE 61 HB1 PHE 61 -7.311 4.358 -0.756 480 HD1 PHE 61 HD1 PHE 61 -5.578 1.093 -0.714 481 HD2 PHE 61 HD2 PHE 61 -9.292 3.133 -1.449 482 HE1 PHE 61 HE1 PHE 61 -6.772 -1.083 -0.726 483 HE2 PHE 61 HE2 PHE 61 -10.485 0.956 -1.460 484 HZ PHE 61 HZ PHE 61 -9.225 -1.151 -1.099 485 H ASP 62 HN ASP 62 -7.876 5.722 -2.832 486 HA ASP 62 HA ASP 62 -9.946 4.270 -4.113 487 1HB ASP 62 HB1 ASP 62 -10.160 6.483 -3.044 488 2HB ASP 62 HB2 ASP 62 -9.162 7.197 -4.311 489 H LYS 63 HN LYS 63 -7.431 6.348 -5.613 490 HA LYS 63 HA LYS 63 -8.151 5.837 -8.328 491 1HB LYS 63 HB1 LYS 63 -6.656 7.628 -7.651 492 2HB LYS 63 HB2 LYS 63 -5.515 6.471 -6.968 493 1HG LYS 63 HG1 LYS 63 -5.139 5.511 -9.210 494 2HG LYS 63 HG2 LYS 63 -6.287 6.659 -9.898 495 1HD LYS 63 HD2 LYS 63 -4.879 8.533 -9.255 496 2HD LYS 63 HD1 LYS 63 -3.779 7.459 -8.390 497 1HE LYS 63 HE1 LYS 63 -2.744 6.776 -10.319 498 2HE LYS 63 HE2 LYS 63 -4.262 6.752 -11.236 499 1HZ LYS 63 HZ1 LYS 63 -2.850 8.589 -11.954 500 2HZ LYS 63 HZ2 LYS 63 -2.784 9.187 -10.365 501 3HZ LYS 63 HZ3 LYS 63 -4.256 9.180 -11.213 502 H VAL 64 HN VAL 64 -5.689 4.229 -6.267 503 HA VAL 64 HA VAL 64 -4.894 2.396 -8.333 504 HB VAL 64 HB VAL 64 -3.523 3.147 -6.392 505 1HG1 VAL 64 HG21 VAL 64 -3.958 2.246 -4.172 506 2HG1 VAL 64 HG22 VAL 64 -5.316 1.302 -4.784 507 3HG1 VAL 64 HG23 VAL 64 -5.414 3.063 -4.743 508 1HG2 VAL 64 HG11 VAL 64 -3.834 0.176 -6.093 509 2HG2 VAL 64 HG12 VAL 64 -2.358 1.137 -6.193 510 3HG2 VAL 64 HG13 VAL 64 -3.316 0.837 -7.644 511 H VAL 65 HN VAL 65 -7.027 1.930 -5.463 512 HA VAL 65 HA VAL 65 -7.682 -0.808 -5.986 513 HB VAL 65 HB VAL 65 -8.260 0.807 -4.005 514 1HG1 VAL 65 HG21 VAL 65 -9.502 2.485 -5.239 515 2HG1 VAL 65 HG22 VAL 65 -10.624 1.642 -4.173 516 3HG1 VAL 65 HG23 VAL 65 -10.589 1.260 -5.893 517 1HG2 VAL 65 HG11 VAL 65 -10.684 -0.751 -4.530 518 2HG2 VAL 65 HG12 VAL 65 -9.481 -0.945 -3.255 519 3HG2 VAL 65 HG13 VAL 65 -9.208 -1.663 -4.843 520 H PHE 66 HN PHE 66 -8.643 2.201 -7.519 521 HA PHE 66 HA PHE 66 -10.647 0.814 -9.233 522 1HB PHE 66 HB1 PHE 66 -11.011 3.085 -8.183 523 2HB PHE 66 HB2 PHE 66 -9.709 3.701 -9.201 524 HD1 PHE 66 HD1 PHE 66 -13.151 2.390 -9.144 525 HD2 PHE 66 HD2 PHE 66 -9.979 3.890 -11.628 526 HE1 PHE 66 HE1 PHE 66 -14.750 2.659 -11.023 527 HE2 PHE 66 HE2 PHE 66 -11.578 4.159 -13.507 528 HZ PHE 66 HZ PHE 66 -13.964 3.543 -13.205 529 H SER 67 HN SER 67 -7.331 1.549 -9.180 530 HA SER 67 HA SER 67 -7.023 1.592 -12.124 531 1HB SER 67 HB1 SER 67 -5.753 3.060 -10.436 532 2HB SER 67 HB2 SER 67 -4.872 1.593 -10.009 533 HG SER 67 HG SER 67 -3.668 2.190 -11.627 534 H CYS 68 HN CYS 68 -5.646 -0.241 -9.370 535 HA CYS 68 HA CYS 68 -5.418 -2.622 -11.177 536 1HB CYS 68 HB2 CYS 68 -3.946 -1.858 -8.633 537 2HB CYS 68 HB1 CYS 68 -3.631 -3.303 -9.599 538 HG CYS 68 HG CYS 68 -2.013 -1.750 -10.718 539 HA PRO 69 HA PRO 69 -8.798 -4.111 -8.716 540 1HB PRO 69 HB1 PRO 69 -8.592 -6.751 -9.607 541 2HB PRO 69 HB2 PRO 69 -9.523 -5.469 -10.402 542 1HG PRO 69 HG2 PRO 69 -6.857 -6.573 -11.070 543 2HG PRO 69 HG1 PRO 69 -8.105 -5.909 -12.132 544 1HD PRO 69 HD2 PRO 69 -5.826 -4.572 -11.460 545 2HD PRO 69 HD1 PRO 69 -7.348 -3.761 -11.883 546 H VAL 70 HN VAL 70 -9.064 -6.263 -7.304 547 HA VAL 70 HA VAL 70 -7.192 -6.088 -5.187 548 HB VAL 70 HB VAL 70 -8.424 -8.108 -4.376 549 1HG1 VAL 70 HG11 VAL 70 -9.558 -5.577 -5.248 550 2HG1 VAL 70 HG12 VAL 70 -9.878 -6.491 -3.774 551 3HG1 VAL 70 HG13 VAL 70 -10.775 -6.853 -5.248 552 1HG2 VAL 70 HG21 VAL 70 -8.690 -8.590 -7.136 553 2HG2 VAL 70 HG22 VAL 70 -10.317 -8.206 -6.572 554 3HG2 VAL 70 HG23 VAL 70 -9.412 -9.524 -5.827 555 H LEU 71 HN LEU 71 -5.762 -7.812 -4.365 556 HA LEU 71 HA LEU 71 -3.976 -9.327 -4.614 557 1HB LEU 71 HB2 LEU 71 -5.971 -10.225 -6.703 558 2HB LEU 71 HB1 LEU 71 -4.480 -11.112 -6.393 559 HG LEU 71 HG LEU 71 -5.286 -10.904 -3.869 560 1HD1 LEU 71 HD21 LEU 71 -7.999 -11.361 -4.797 561 2HD1 LEU 71 HD22 LEU 71 -7.445 -9.748 -5.247 562 3HD1 LEU 71 HD23 LEU 71 -7.422 -10.249 -3.556 563 1HD2 LEU 71 HD11 LEU 71 -5.019 -12.951 -5.483 564 2HD2 LEU 71 HD12 LEU 71 -6.779 -12.877 -5.581 565 3HD2 LEU 71 HD13 LEU 71 -5.992 -13.133 -4.023 566 H GLU 72 HN GLU 72 -4.152 -6.748 -6.259 567 HA GLU 72 HA GLU 72 -1.950 -7.486 -8.151 568 1HB GLU 72 HB1 GLU 72 -4.211 -5.495 -8.543 569 2HB GLU 72 HB2 GLU 72 -2.881 -5.747 -9.673 570 1HG GLU 72 HG2 GLU 72 -3.763 -8.309 -9.340 571 2HG GLU 72 HG1 GLU 72 -5.273 -7.413 -9.171 572 HA PRO 73 HA PRO 73 -0.813 -4.520 -4.686 573 1HB PRO 73 HB2 PRO 73 1.804 -5.666 -5.574 574 2HB PRO 73 HB1 PRO 73 1.215 -5.350 -3.932 575 1HG PRO 73 HG1 PRO 73 1.274 -7.820 -4.994 576 2HG PRO 73 HG2 PRO 73 0.036 -7.309 -3.839 577 1HD PRO 73 HD1 PRO 73 -0.200 -7.837 -6.729 578 2HD PRO 73 HD2 PRO 73 -1.452 -7.845 -5.470 579 H THR 74 HN THR 74 -0.670 -2.428 -5.373 580 HA THR 74 HA THR 74 0.757 -1.886 -7.957 581 HB THR 74 HB THR 74 -1.615 -0.541 -6.624 582 HG1 THR 74 HG1 THR 74 -1.297 -2.542 -8.528 583 1HG2 THR 74 HG21 THR 74 -0.013 0.054 -9.085 584 2HG2 THR 74 HG22 THR 74 -0.705 1.168 -7.905 585 3HG2 THR 74 HG23 THR 74 -1.746 0.384 -9.094 586 H GLY 75 HN GLY 75 2.449 -0.465 -7.832 587 1HA GLY 75 HA1 GLY 75 2.905 1.908 -6.853 588 2HA GLY 75 HA2 GLY 75 2.791 1.076 -5.302 589 HA PRO 76 HA PRO 76 4.203 2.121 -4.237 590 1HB PRO 76 HB1 PRO 76 6.251 3.947 -4.126 591 2HB PRO 76 HB2 PRO 76 6.271 2.403 -3.253 592 1HG PRO 76 HG2 PRO 76 7.581 3.144 -5.831 593 2HG PRO 76 HG1 PRO 76 8.204 2.165 -4.491 594 1HD PRO 76 HD1 PRO 76 7.233 1.083 -6.784 595 2HD PRO 76 HD2 PRO 76 7.127 0.267 -5.209 596 H LEU 77 HN LEU 77 3.236 4.244 -4.362 597 HA LEU 77 HA LEU 77 3.212 5.395 -7.136 598 1HB LEU 77 HB2 LEU 77 1.354 3.840 -6.667 599 2HB LEU 77 HB1 LEU 77 0.930 4.774 -5.231 600 HG LEU 77 HG LEU 77 0.696 6.788 -6.801 601 1HD1 LEU 77 HD11 LEU 77 0.457 6.384 -9.142 602 2HD1 LEU 77 HD12 LEU 77 0.449 4.637 -8.913 603 3HD1 LEU 77 HD13 LEU 77 1.937 5.550 -8.668 604 1HD2 LEU 77 HD21 LEU 77 -1.105 4.884 -5.966 605 2HD2 LEU 77 HD22 LEU 77 -1.352 4.876 -7.713 606 3HD2 LEU 77 HD23 LEU 77 -1.538 6.375 -6.803 607 H HIS 78 HN HIS 78 2.474 7.642 -7.245 608 HA HIS 78 HA HIS 78 3.564 9.362 -5.241 609 1HB HIS 78 HB1 HIS 78 1.593 9.729 -7.509 610 2HB HIS 78 HB2 HIS 78 2.216 11.082 -6.563 611 HD1 HIS 78 HD1 HIS 78 3.009 8.986 -9.431 612 HD2 HIS 78 HD2 HIS 78 5.198 11.204 -6.662 613 HE1 HIS 78 HE1 HIS 78 5.317 9.299 -10.428 614 H THR 79 HN THR 79 2.680 10.157 -3.384 615 HA THR 79 HA THR 79 -0.255 10.408 -3.148 616 HB THR 79 HB THR 79 0.191 8.165 -2.281 617 HG1 THR 79 HG1 THR 79 -1.146 8.657 -0.769 618 1HG2 THR 79 HG21 THR 79 2.485 8.147 -1.760 619 2HG2 THR 79 HG22 THR 79 1.708 8.076 -0.179 620 3HG2 THR 79 HG23 THR 79 2.364 9.602 -0.771 621 H GLN 80 HN GLN 80 -0.821 11.868 -1.346 622 HA GLN 80 HA GLN 80 0.891 14.124 -1.108 623 1HB GLN 80 HB1 GLN 80 -1.441 13.089 0.531 624 2HB GLN 80 HB2 GLN 80 -0.735 14.687 0.770 625 1HG GLN 80 HG2 GLN 80 -1.194 15.247 -1.590 626 2HG GLN 80 HG1 GLN 80 -1.898 13.648 -1.833 627 1HE2 GLN 80 HE21 GLN 80 -4.101 14.236 -2.140 628 2HE2 GLN 80 HE22 GLN 80 -5.022 15.055 -0.973 629 H PHE 81 HN PHE 81 0.686 11.180 0.788 630 HA PHE 81 HA PHE 81 2.243 12.277 3.033 631 1HB PHE 81 HB2 PHE 81 1.104 9.569 2.289 632 2HB PHE 81 HB1 PHE 81 1.962 9.870 3.799 633 HD1 PHE 81 HD1 PHE 81 -1.018 10.798 1.787 634 HD2 PHE 81 HD2 PHE 81 0.935 11.066 5.607 635 HE1 PHE 81 HE1 PHE 81 -3.100 11.707 2.788 636 HE2 PHE 81 HE2 PHE 81 -1.145 11.976 6.608 637 HZ PHE 81 HZ PHE 81 -3.163 12.297 5.198 638 H GLY 82 HN GLY 82 3.073 11.160 -0.013 639 1HA GLY 82 HA2 GLY 82 5.645 11.167 -0.283 640 2HA GLY 82 HA1 GLY 82 5.607 9.917 0.960 641 H TYR 83 HN TYR 83 5.853 7.929 0.062 642 HA TYR 83 HA TYR 83 4.581 7.414 -2.607 643 1HB TYR 83 HB1 TYR 83 7.013 6.251 -1.218 644 2HB TYR 83 HB2 TYR 83 6.366 5.630 -2.738 645 HD1 TYR 83 HD1 TYR 83 6.502 6.939 -4.802 646 HD2 TYR 83 HD2 TYR 83 8.078 8.453 -1.099 647 HE1 TYR 83 HE1 TYR 83 7.724 8.706 -6.044 648 HE2 TYR 83 HE2 TYR 83 9.300 10.219 -2.341 649 HH TYR 83 HH TYR 83 8.634 11.042 -5.497 650 H HIS 84 HN HIS 84 2.832 6.081 -2.475 651 HA HIS 84 HA HIS 84 2.617 4.212 -0.137 652 1HB HIS 84 HB2 HIS 84 0.617 5.621 -1.914 653 2HB HIS 84 HB1 HIS 84 0.150 4.224 -0.951 654 HD1 HIS 84 HD1 HIS 84 -1.180 6.799 -0.183 655 HD2 HIS 84 HD2 HIS 84 2.506 5.666 1.397 656 HE1 HIS 84 HE1 HIS 84 -0.908 8.078 1.987 657 H ILE 85 HN ILE 85 3.044 2.108 -0.644 658 HA ILE 85 HA ILE 85 2.195 1.152 -3.360 659 HB ILE 85 HB ILE 85 4.613 0.799 -2.446 660 1HG1 ILE 85 HG12 ILE 85 3.273 -1.787 -3.186 661 2HG1 ILE 85 HG11 ILE 85 3.266 -0.453 -4.337 662 1HG2 ILE 85 HG21 ILE 85 4.980 -0.774 -0.784 663 2HG2 ILE 85 HG22 ILE 85 3.457 -1.610 -1.094 664 3HG2 ILE 85 HG23 ILE 85 3.463 -0.078 -0.220 665 1HD1 ILE 85 HD11 ILE 85 5.845 -0.350 -3.771 666 2HD1 ILE 85 HD12 ILE 85 5.242 -1.538 -4.925 667 3HD1 ILE 85 HD13 ILE 85 5.591 -2.020 -3.266 668 H ILE 86 HN ILE 86 0.158 0.324 -3.255 669 HA ILE 86 HA ILE 86 -0.796 -0.671 -0.605 670 HB ILE 86 HB ILE 86 -2.239 0.508 -2.999 671 1HG1 ILE 86 HG11 ILE 86 -1.711 1.723 -0.275 672 2HG1 ILE 86 HG12 ILE 86 -0.697 2.033 -1.684 673 1HG2 ILE 86 HG21 ILE 86 -3.187 -0.982 -0.731 674 2HG2 ILE 86 HG22 ILE 86 -4.126 -0.249 -2.032 675 3HG2 ILE 86 HG23 ILE 86 -3.736 0.688 -0.589 676 1HD1 ILE 86 HD11 ILE 86 -3.690 2.502 -1.639 677 2HD1 ILE 86 HD12 ILE 86 -2.551 3.002 -2.890 678 3HD1 ILE 86 HD13 ILE 86 -2.503 3.760 -1.299 679 H LYS 87 HN LYS 87 -1.436 -2.748 -0.424 680 HA LYS 87 HA LYS 87 -1.797 -4.411 -2.883 681 1HB LYS 87 HB2 LYS 87 -0.183 -5.135 -1.151 682 2HB LYS 87 HB1 LYS 87 -1.462 -5.086 0.061 683 1HG LYS 87 HG2 LYS 87 -2.716 -6.796 -1.258 684 2HG LYS 87 HG1 LYS 87 -1.347 -6.898 -2.367 685 1HD LYS 87 HD2 LYS 87 0.013 -7.264 -0.115 686 2HD LYS 87 HD1 LYS 87 -1.557 -7.802 0.481 687 1HE LYS 87 HE1 LYS 87 -0.754 -8.883 -2.169 688 2HE LYS 87 HE2 LYS 87 0.173 -9.468 -0.772 689 1HZ LYS 87 HZ1 LYS 87 -1.849 -10.781 -1.099 690 2HZ LYS 87 HZ2 LYS 87 -2.798 -9.377 -0.980 691 3HZ LYS 87 HZ3 LYS 87 -1.918 -9.927 0.365 692 H VAL 88 HN VAL 88 -3.923 -4.662 -3.496 693 HA VAL 88 HA VAL 88 -6.050 -4.001 -1.529 694 HB VAL 88 HB VAL 88 -6.021 -4.365 -4.543 695 1HG1 VAL 88 HG11 VAL 88 -8.218 -4.619 -3.021 696 2HG1 VAL 88 HG12 VAL 88 -8.258 -3.813 -4.589 697 3HG1 VAL 88 HG13 VAL 88 -8.160 -2.859 -3.109 698 1HG2 VAL 88 HG21 VAL 88 -5.010 -2.340 -4.468 699 2HG2 VAL 88 HG22 VAL 88 -5.325 -2.165 -2.742 700 3HG2 VAL 88 HG23 VAL 88 -6.562 -1.713 -3.914 701 H LEU 89 HN LEU 89 -7.608 -5.491 -0.897 702 HA LEU 89 HA LEU 89 -7.622 -8.162 -2.214 703 1HB LEU 89 HB2 LEU 89 -7.530 -7.565 0.756 704 2HB LEU 89 HB1 LEU 89 -7.608 -9.171 0.036 705 HG LEU 89 HG LEU 89 -5.373 -7.166 -0.404 706 1HD1 LEU 89 HD11 LEU 89 -5.630 -9.631 1.330 707 2HD1 LEU 89 HD12 LEU 89 -5.161 -8.004 1.820 708 3HD1 LEU 89 HD13 LEU 89 -4.063 -8.981 0.846 709 1HD2 LEU 89 HD21 LEU 89 -4.718 -9.866 -1.094 710 2HD2 LEU 89 HD22 LEU 89 -4.786 -8.456 -2.151 711 3HD2 LEU 89 HD23 LEU 89 -6.227 -9.442 -1.903 712 H TYR 90 HN TYR 90 -9.767 -8.493 -2.810 713 HA TYR 90 HA TYR 90 -12.074 -8.871 -2.509 714 1HB TYR 90 HB2 TYR 90 -11.882 -7.338 0.086 715 2HB TYR 90 HB1 TYR 90 -13.012 -8.616 -0.353 716 HD1 TYR 90 HD1 TYR 90 -10.991 -10.487 -1.679 717 HD2 TYR 90 HD2 TYR 90 -10.919 -8.341 2.046 718 HE1 TYR 90 HE1 TYR 90 -9.445 -12.182 -0.733 719 HE2 TYR 90 HE2 TYR 90 -9.373 -10.038 2.992 720 HH TYR 90 HH TYR 90 -8.769 -13.030 1.466 721 H ARG 91 HN ARG 91 -10.642 -5.699 -2.105 722 HA ARG 91 HA ARG 91 -11.408 -3.574 -2.810 723 1HB ARG 91 HB1 ARG 91 -11.606 -5.037 -4.873 724 2HB ARG 91 HB2 ARG 91 -13.299 -5.286 -4.455 725 1HG ARG 91 HG1 ARG 91 -13.569 -2.768 -4.469 726 2HG ARG 91 HG2 ARG 91 -11.942 -2.666 -5.140 727 1HD ARG 91 HD1 ARG 91 -14.153 -4.319 -6.405 728 2HD ARG 91 HD2 ARG 91 -13.791 -2.650 -6.880 729 HE ARG 91 HE ARG 91 -11.320 -3.957 -6.894 730 1HH1 ARG 91 HH11 ARG 91 -14.414 -4.343 -8.392 731 2HH1 ARG 91 HH12 ARG 91 -13.772 -5.084 -9.819 732 1HH2 ARG 91 HH21 ARG 91 -10.480 -4.925 -8.754 733 2HH2 ARG 91 HH22 ARG 91 -11.551 -5.412 -10.024 734 H ASN 92 HN ASN 92 -13.382 -2.133 -2.746 735 HA ASN 92 HA ASN 92 -15.351 -3.101 -0.722 736 1HB ASN 92 HB1 ASN 92 -14.312 -1.070 -0.084 737 2HB ASN 92 HB2 ASN 92 -14.381 -0.421 -1.721 738 1HD2 ASN 92 HD21 ASN 92 -16.801 -1.765 0.615 739 2HD2 ASN 92 HD22 ASN 92 -17.918 -0.505 0.399 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -18.998 -3.586 -4.126 2 2H ALA 1 HT2 ALA 1 -18.227 -4.993 -4.685 3 3H ALA 1 HT3 ALA 1 -17.368 -3.530 -4.593 4 HA ALA 1 HA ALA 1 -18.286 -5.256 -2.364 5 1HB ALA 1 HB1 ALA 1 -15.906 -5.290 -1.916 6 2HB ALA 1 HB2 ALA 1 -15.618 -4.017 -3.103 7 3HB ALA 1 HB3 ALA 1 -16.131 -5.619 -3.634 8 H LYS 2 HN LYS 2 -19.058 -4.152 -0.616 9 HA LYS 2 HA LYS 2 -18.981 -1.271 -0.372 10 1HB LYS 2 HB2 LYS 2 -19.533 -3.498 1.617 11 2HB LYS 2 HB1 LYS 2 -19.930 -1.797 1.870 12 1HG LYS 2 HG1 LYS 2 -20.947 -3.410 -0.486 13 2HG LYS 2 HG2 LYS 2 -21.849 -3.218 1.017 14 1HD LYS 2 HD2 LYS 2 -21.871 -0.791 0.735 15 2HD LYS 2 HD1 LYS 2 -20.867 -0.924 -0.708 16 1HE LYS 2 HE1 LYS 2 -22.705 -2.356 -1.732 17 2HE LYS 2 HE2 LYS 2 -23.719 -1.898 -0.350 18 1HZ LYS 2 HZ1 LYS 2 -22.800 0.471 -0.963 19 2HZ LYS 2 HZ2 LYS 2 -24.158 -0.166 -1.763 20 3HZ LYS 2 HZ3 LYS 2 -22.629 -0.221 -2.501 21 H THR 3 HN THR 3 -17.047 -3.926 0.963 22 HA THR 3 HA THR 3 -15.132 -1.887 2.061 23 HB THR 3 HB THR 3 -14.856 -3.364 3.974 24 HG1 THR 3 HG1 THR 3 -16.320 -5.266 3.966 25 1HG2 THR 3 HG21 THR 3 -17.472 -3.651 4.521 26 2HG2 THR 3 HG22 THR 3 -17.598 -2.560 3.142 27 3HG2 THR 3 HG23 THR 3 -16.667 -2.083 4.561 28 H ALA 4 HN ALA 4 -12.887 -2.742 2.219 29 HA ALA 4 HA ALA 4 -12.296 -5.189 0.660 30 1HB ALA 4 HB1 ALA 4 -10.757 -2.698 0.020 31 2HB ALA 4 HB2 ALA 4 -12.363 -2.892 -0.684 32 3HB ALA 4 HB3 ALA 4 -11.107 -4.087 -1.009 33 H ALA 5 HN ALA 5 -9.928 -5.785 0.934 34 HA ALA 5 HA ALA 5 -8.976 -4.939 3.642 35 1HB ALA 5 HB1 ALA 5 -7.401 -6.987 3.042 36 2HB ALA 5 HB2 ALA 5 -8.639 -7.303 1.824 37 3HB ALA 5 HB3 ALA 5 -9.072 -7.267 3.534 38 H ALA 6 HN ALA 6 -7.105 -3.709 3.828 39 HA ALA 6 HA ALA 6 -5.552 -3.241 1.298 40 1HB ALA 6 HB1 ALA 6 -7.414 -1.589 2.636 41 2HB ALA 6 HB2 ALA 6 -6.358 -1.136 1.296 42 3HB ALA 6 HB3 ALA 6 -5.825 -0.892 2.959 43 H LEU 7 HN LEU 7 -3.397 -3.386 1.565 44 HA LEU 7 HA LEU 7 -2.195 -2.859 4.267 45 1HB LEU 7 HB1 LEU 7 -1.117 -4.392 1.874 46 2HB LEU 7 HB2 LEU 7 -0.292 -4.198 3.418 47 HG LEU 7 HG LEU 7 -2.945 -5.599 2.969 48 1HD1 LEU 7 HD11 LEU 7 -0.509 -6.891 4.127 49 2HD1 LEU 7 HD12 LEU 7 -0.560 -6.633 2.383 50 3HD1 LEU 7 HD13 LEU 7 -1.806 -7.605 3.168 51 1HD2 LEU 7 HD21 LEU 7 -1.398 -4.854 5.444 52 2HD2 LEU 7 HD22 LEU 7 -2.468 -6.255 5.437 53 3HD2 LEU 7 HD23 LEU 7 -3.118 -4.648 5.115 54 H HIS 8 HN HIS 8 -0.658 -1.144 4.324 55 HA HIS 8 HA HIS 8 0.001 0.143 1.693 56 1HB HIS 8 HB1 HIS 8 -1.015 1.452 4.239 57 2HB HIS 8 HB2 HIS 8 -0.441 2.333 2.825 58 HD1 HIS 8 HD1 HIS 8 -2.256 2.994 1.270 59 HD2 HIS 8 HD2 HIS 8 -3.222 -0.497 3.334 60 HE1 HIS 8 HE1 HIS 8 -4.583 2.338 0.518 61 H ILE 9 HN ILE 9 2.179 0.444 1.506 62 HA ILE 9 HA ILE 9 3.766 0.840 4.024 63 HB ILE 9 HB ILE 9 4.618 -0.132 1.285 64 1HG1 ILE 9 HG11 ILE 9 4.488 -1.615 3.913 65 2HG1 ILE 9 HG12 ILE 9 3.234 -1.711 2.676 66 1HG2 ILE 9 HG21 ILE 9 6.741 -0.696 2.623 67 2HG2 ILE 9 HG22 ILE 9 6.119 0.415 3.844 68 3HG2 ILE 9 HG23 ILE 9 6.480 1.002 2.220 69 1HD1 ILE 9 HD11 ILE 9 4.438 -3.376 1.738 70 2HD1 ILE 9 HD12 ILE 9 5.820 -3.052 2.784 71 3HD1 ILE 9 HD13 ILE 9 5.621 -2.149 1.282 72 H LEU 10 HN LEU 10 4.616 2.859 4.266 73 HA LEU 10 HA LEU 10 4.515 4.725 1.931 74 1HB LEU 10 HB2 LEU 10 3.348 5.063 4.246 75 2HB LEU 10 HB1 LEU 10 4.969 5.455 4.824 76 HG LEU 10 HG LEU 10 3.391 6.855 2.651 77 1HD1 LEU 10 HD11 LEU 10 4.687 8.503 4.645 78 2HD1 LEU 10 HD12 LEU 10 3.692 7.272 5.424 79 3HD1 LEU 10 HD13 LEU 10 2.970 8.378 4.255 80 1HD2 LEU 10 HD21 LEU 10 5.528 8.324 2.601 81 2HD2 LEU 10 HD22 LEU 10 5.565 6.787 1.737 82 3HD2 LEU 10 HD23 LEU 10 6.330 6.928 3.320 83 H VAL 11 HN VAL 11 6.472 5.044 0.952 84 HA VAL 11 HA VAL 11 8.968 4.693 2.570 85 HB VAL 11 HB VAL 11 8.864 4.869 -0.434 86 1HG1 VAL 11 HG21 VAL 11 11.063 4.707 0.397 87 2HG1 VAL 11 HG22 VAL 11 10.662 3.039 -0.013 88 3HG1 VAL 11 HG23 VAL 11 10.596 3.575 1.665 89 1HG2 VAL 11 HG11 VAL 11 7.253 3.211 -0.307 90 2HG2 VAL 11 HG12 VAL 11 7.795 2.658 1.276 91 3HG2 VAL 11 HG13 VAL 11 8.709 2.225 -0.170 92 H LYS 12 HN LYS 12 10.149 6.516 2.980 93 HA LYS 12 HA LYS 12 9.164 9.116 2.279 94 1HB LYS 12 HB1 LYS 12 11.806 8.120 3.389 95 2HB LYS 12 HB2 LYS 12 11.309 9.812 3.384 96 1HG LYS 12 HG2 LYS 12 9.308 9.230 4.710 97 2HG LYS 12 HG1 LYS 12 9.803 7.537 4.716 98 1HD LYS 12 HD2 LYS 12 11.883 8.152 5.899 99 2HD LYS 12 HD1 LYS 12 11.385 9.843 5.894 100 1HE LYS 12 HE1 LYS 12 10.751 8.967 8.050 101 2HE LYS 12 HE2 LYS 12 9.251 9.054 7.106 102 1HZ LYS 12 HZ1 LYS 12 9.387 6.779 6.578 103 2HZ LYS 12 HZ2 LYS 12 9.749 6.849 8.236 104 3HZ LYS 12 HZ3 LYS 12 10.996 6.655 7.099 105 H GLU 13 HN GLU 13 11.854 7.154 0.987 106 HA GLU 13 HA GLU 13 12.183 9.206 -1.180 107 1HB GLU 13 HB1 GLU 13 14.549 8.413 -1.200 108 2HB GLU 13 HB2 GLU 13 14.072 9.060 0.369 109 1HG GLU 13 HG1 GLU 13 13.698 6.813 1.232 110 2HG GLU 13 HG2 GLU 13 14.021 6.115 -0.356 111 H GLU 14 HN GLU 14 12.203 8.462 -3.301 112 HA GLU 14 HA GLU 14 10.901 6.037 -3.982 113 1HB GLU 14 HB2 GLU 14 11.178 8.150 -5.332 114 2HB GLU 14 HB1 GLU 14 12.842 7.664 -5.650 115 1HG GLU 14 HG1 GLU 14 12.048 5.588 -6.705 116 2HG GLU 14 HG2 GLU 14 10.378 6.041 -6.358 117 H LYS 15 HN LYS 15 14.389 6.804 -3.866 118 HA LYS 15 HA LYS 15 15.399 4.543 -5.178 119 1HB LYS 15 HB1 LYS 15 16.423 6.165 -2.834 120 2HB LYS 15 HB2 LYS 15 17.417 4.987 -3.690 121 1HG LYS 15 HG2 LYS 15 17.041 6.206 -5.803 122 2HG LYS 15 HG1 LYS 15 16.046 7.384 -4.949 123 1HD LYS 15 HD2 LYS 15 17.979 7.987 -3.534 124 2HD LYS 15 HD1 LYS 15 18.973 6.809 -4.392 125 1HE LYS 15 HE1 LYS 15 17.521 8.961 -5.930 126 2HE LYS 15 HE2 LYS 15 19.089 9.297 -5.173 127 1HZ LYS 15 HZ1 LYS 15 19.655 6.974 -6.226 128 2HZ LYS 15 HZ2 LYS 15 19.777 8.395 -7.149 129 3HZ LYS 15 HZ3 LYS 15 18.415 7.392 -7.306 130 H LEU 16 HN LEU 16 14.532 4.869 -1.731 131 HA LEU 16 HA LEU 16 15.322 2.186 -0.989 132 1HB LEU 16 HB2 LEU 16 14.992 4.124 0.549 133 2HB LEU 16 HB1 LEU 16 13.262 4.074 0.201 134 HG LEU 16 HG LEU 16 13.817 1.452 0.870 135 1HD1 LEU 16 HD11 LEU 16 16.112 2.469 1.595 136 2HD1 LEU 16 HD12 LEU 16 15.285 1.374 2.702 137 3HD1 LEU 16 HD13 LEU 16 15.206 3.117 2.961 138 1HD2 LEU 16 HD21 LEU 16 12.594 3.820 2.176 139 2HD2 LEU 16 HD22 LEU 16 12.970 2.464 3.240 140 3HD2 LEU 16 HD23 LEU 16 11.903 2.230 1.855 141 H ALA 17 HN ALA 17 12.273 3.673 -2.066 142 HA ALA 17 HA ALA 17 10.562 1.407 -1.788 143 1HB ALA 17 HB1 ALA 17 10.492 3.498 -3.979 144 2HB ALA 17 HB2 ALA 17 10.052 3.866 -2.310 145 3HB ALA 17 HB3 ALA 17 9.124 2.678 -3.226 146 H LEU 18 HN LEU 18 12.661 2.455 -4.485 147 HA LEU 18 HA LEU 18 12.059 0.325 -6.303 148 1HB LEU 18 HB2 LEU 18 13.242 2.181 -7.150 149 2HB LEU 18 HB1 LEU 18 14.351 2.220 -5.780 150 HG LEU 18 HG LEU 18 15.350 0.120 -6.521 151 1HD1 LEU 18 HD21 LEU 18 13.001 0.063 -8.197 152 2HD1 LEU 18 HD22 LEU 18 14.169 -1.223 -7.895 153 3HD1 LEU 18 HD23 LEU 18 14.449 -0.064 -9.196 154 1HD2 LEU 18 HD11 LEU 18 15.663 1.424 -9.062 155 2HD2 LEU 18 HD12 LEU 18 16.779 1.406 -7.697 156 3HD2 LEU 18 HD13 LEU 18 15.535 2.652 -7.801 157 H ASP 19 HN ASP 19 14.449 0.675 -3.680 158 HA ASP 19 HA ASP 19 15.688 -1.905 -3.915 159 1HB ASP 19 HB2 ASP 19 16.485 0.022 -2.545 160 2HB ASP 19 HB1 ASP 19 15.093 -0.190 -1.479 161 H LEU 20 HN LEU 20 12.791 -0.746 -2.218 162 HA LEU 20 HA LEU 20 12.063 -3.206 -0.929 163 1HB LEU 20 HB1 LEU 20 10.880 -1.416 -0.106 164 2HB LEU 20 HB2 LEU 20 10.939 -0.553 -1.642 165 HG LEU 20 HG LEU 20 9.185 -2.174 -2.503 166 1HD1 LEU 20 HD11 LEU 20 7.874 -3.111 -0.367 167 2HD1 LEU 20 HD12 LEU 20 9.503 -3.121 0.309 168 3HD1 LEU 20 HD13 LEU 20 9.150 -4.042 -1.151 169 1HD2 LEU 20 HD21 LEU 20 8.882 0.173 -1.241 170 2HD2 LEU 20 HD22 LEU 20 8.016 -0.855 -0.099 171 3HD2 LEU 20 HD23 LEU 20 7.502 -0.782 -1.785 172 H LEU 21 HN LEU 21 11.270 -1.780 -4.092 173 HA LEU 21 HA LEU 21 9.452 -3.793 -4.977 174 1HB LEU 21 HB2 LEU 21 11.081 -1.598 -6.077 175 2HB LEU 21 HB1 LEU 21 10.727 -2.876 -7.240 176 HG LEU 21 HG LEU 21 8.356 -2.655 -6.877 177 1HD1 LEU 21 HD11 LEU 21 8.589 -2.243 -4.382 178 2HD1 LEU 21 HD12 LEU 21 7.376 -1.252 -5.187 179 3HD1 LEU 21 HD13 LEU 21 8.941 -0.556 -4.768 180 1HD2 LEU 21 HD21 LEU 21 9.879 -0.700 -8.021 181 2HD2 LEU 21 HD22 LEU 21 8.971 0.236 -6.833 182 3HD2 LEU 21 HD23 LEU 21 8.116 -0.716 -8.046 183 H GLU 22 HN GLU 22 12.971 -3.477 -5.512 184 HA GLU 22 HA GLU 22 13.377 -6.037 -6.767 185 1HB GLU 22 HB1 GLU 22 14.988 -4.160 -6.758 186 2HB GLU 22 HB2 GLU 22 15.160 -4.315 -5.009 187 1HG GLU 22 HG2 GLU 22 17.012 -5.457 -6.171 188 2HG GLU 22 HG1 GLU 22 16.008 -6.621 -5.305 189 H GLN 23 HN GLN 23 13.369 -4.947 -3.380 190 HA GLN 23 HA GLN 23 14.346 -7.317 -2.177 191 1HB GLN 23 HB2 GLN 23 14.106 -5.102 -1.106 192 2HB GLN 23 HB1 GLN 23 12.352 -5.264 -1.164 193 1HG GLN 23 HG1 GLN 23 12.386 -7.119 0.354 194 2HG GLN 23 HG2 GLN 23 14.139 -7.270 0.231 195 1HE2 GLN 23 HE21 GLN 23 15.009 -6.578 2.193 196 2HE2 GLN 23 HE22 GLN 23 14.534 -5.179 3.029 197 H ILE 24 HN ILE 24 10.982 -6.376 -2.959 198 HA ILE 24 HA ILE 24 9.765 -8.756 -1.859 199 HB ILE 24 HB ILE 24 8.978 -6.689 -3.923 200 1HG1 ILE 24 HG11 ILE 24 7.659 -7.187 -1.273 201 2HG1 ILE 24 HG12 ILE 24 9.182 -6.305 -1.327 202 1HG2 ILE 24 HG21 ILE 24 6.716 -8.119 -2.912 203 2HG2 ILE 24 HG22 ILE 24 7.858 -9.293 -3.564 204 3HG2 ILE 24 HG23 ILE 24 7.260 -7.983 -4.583 205 1HD1 ILE 24 HD11 ILE 24 7.375 -4.692 -1.459 206 2HD1 ILE 24 HD12 ILE 24 6.609 -5.596 -2.766 207 3HD1 ILE 24 HD13 ILE 24 8.145 -4.776 -3.043 208 H LYS 25 HN LYS 25 10.965 -7.881 -5.101 209 HA LYS 25 HA LYS 25 9.992 -10.176 -6.475 210 1HB LYS 25 HB2 LYS 25 12.400 -8.372 -6.866 211 2HB LYS 25 HB1 LYS 25 11.865 -9.544 -8.070 212 1HG LYS 25 HG1 LYS 25 9.656 -8.443 -8.160 213 2HG LYS 25 HG2 LYS 25 10.190 -7.271 -6.956 214 1HD LYS 25 HD2 LYS 25 11.978 -6.517 -8.486 215 2HD LYS 25 HD1 LYS 25 11.442 -7.689 -9.690 216 1HE LYS 25 HE1 LYS 25 9.288 -5.939 -8.670 217 2HE LYS 25 HE2 LYS 25 10.550 -5.097 -9.588 218 1HZ LYS 25 HZ1 LYS 25 10.331 -6.701 -11.351 219 2HZ LYS 25 HZ2 LYS 25 8.794 -6.057 -11.021 220 3HZ LYS 25 HZ3 LYS 25 9.208 -7.606 -10.460 221 H ASN 26 HN ASN 26 13.266 -9.570 -5.153 222 HA ASN 26 HA ASN 26 14.298 -12.213 -5.562 223 1HB ASN 26 HB2 ASN 26 15.413 -9.947 -4.892 224 2HB ASN 26 HB1 ASN 26 15.006 -10.415 -3.247 225 1HD2 ASN 26 HD21 ASN 26 16.380 -12.100 -6.144 226 2HD2 ASN 26 HD22 ASN 26 17.630 -12.860 -5.281 227 H GLY 27 HN GLY 27 12.886 -10.685 -2.668 228 1HA GLY 27 HA2 GLY 27 12.711 -13.369 -1.408 229 2HA GLY 27 HA1 GLY 27 12.708 -11.827 -0.551 230 H ALA 28 HN ALA 28 10.756 -10.381 -1.638 231 HA ALA 28 HA ALA 28 8.402 -10.159 -1.920 232 1HB ALA 28 HB1 ALA 28 7.706 -12.970 -1.555 233 2HB ALA 28 HB2 ALA 28 8.935 -12.755 -2.800 234 3HB ALA 28 HB3 ALA 28 7.389 -11.917 -2.933 235 H ASP 29 HN ASP 29 6.426 -10.658 -0.594 236 HA ASP 29 HA ASP 29 5.511 -11.393 1.641 237 1HB ASP 29 HB2 ASP 29 8.262 -10.424 2.451 238 2HB ASP 29 HB1 ASP 29 6.975 -10.769 3.599 239 H PHE 30 HN PHE 30 4.244 -9.598 0.633 240 HA PHE 30 HA PHE 30 4.877 -6.840 0.881 241 1HB PHE 30 HB1 PHE 30 2.452 -8.549 0.534 242 2HB PHE 30 HB2 PHE 30 2.189 -6.854 0.947 243 HD1 PHE 30 HD1 PHE 30 3.027 -9.182 -1.682 244 HD2 PHE 30 HD2 PHE 30 3.352 -5.065 -0.475 245 HE1 PHE 30 HE1 PHE 30 3.489 -8.530 -4.029 246 HE2 PHE 30 HE2 PHE 30 3.810 -4.416 -2.826 247 HZ PHE 30 HZ PHE 30 3.878 -6.147 -4.603 248 H GLY 31 HN GLY 31 2.897 -8.895 3.059 249 1HA GLY 31 HA1 GLY 31 2.300 -6.823 4.907 250 2HA GLY 31 HA2 GLY 31 2.222 -8.545 5.276 251 H LYS 32 HN LYS 32 4.832 -9.352 5.103 252 HA LYS 32 HA LYS 32 5.862 -8.536 7.627 253 1HB LYS 32 HB2 LYS 32 7.131 -9.914 5.242 254 2HB LYS 32 HB1 LYS 32 7.850 -9.866 6.849 255 1HG LYS 32 HG1 LYS 32 5.859 -10.992 7.775 256 2HG LYS 32 HG2 LYS 32 5.136 -11.041 6.166 257 1HD LYS 32 HD2 LYS 32 7.033 -12.405 5.359 258 2HD LYS 32 HD1 LYS 32 7.751 -12.356 6.969 259 1HE LYS 32 HE1 LYS 32 5.622 -13.424 7.851 260 2HE LYS 32 HE2 LYS 32 5.132 -13.662 6.163 261 1HZ LYS 32 HZ1 LYS 32 6.997 -14.984 5.738 262 2HZ LYS 32 HZ2 LYS 32 6.476 -15.518 7.263 263 3HZ LYS 32 HZ3 LYS 32 7.808 -14.473 7.136 264 H LEU 33 HN LEU 33 6.790 -7.572 4.314 265 HA LEU 33 HA LEU 33 9.073 -6.018 5.044 266 1HB LEU 33 HB2 LEU 33 8.487 -6.860 2.775 267 2HB LEU 33 HB1 LEU 33 7.133 -5.728 2.726 268 HG LEU 33 HG LEU 33 9.799 -4.605 3.406 269 1HD1 LEU 33 HD11 LEU 33 9.049 -5.310 0.555 270 2HD1 LEU 33 HD12 LEU 33 10.222 -6.213 1.513 271 3HD1 LEU 33 HD13 LEU 33 10.533 -4.527 1.097 272 1HD2 LEU 33 HD21 LEU 33 7.530 -3.716 1.599 273 2HD2 LEU 33 HD22 LEU 33 8.929 -2.740 2.046 274 3HD2 LEU 33 HD23 LEU 33 7.758 -3.217 3.275 275 H ALA 34 HN ALA 34 5.623 -5.162 4.671 276 HA ALA 34 HA ALA 34 5.866 -2.342 4.971 277 1HB ALA 34 HB1 ALA 34 3.494 -2.496 5.541 278 2HB ALA 34 HB2 ALA 34 3.677 -4.200 5.957 279 3HB ALA 34 HB3 ALA 34 3.854 -3.677 4.282 280 H LYS 35 HN LYS 35 5.227 -4.842 7.457 281 HA LYS 35 HA LYS 35 5.134 -3.106 9.700 282 1HB LYS 35 HB1 LYS 35 4.450 -5.511 9.537 283 2HB LYS 35 HB2 LYS 35 6.155 -5.958 9.519 284 1HG LYS 35 HG1 LYS 35 6.459 -4.889 11.724 285 2HG LYS 35 HG2 LYS 35 4.753 -4.443 11.742 286 1HD LYS 35 HD1 LYS 35 4.139 -6.842 11.603 287 2HD LYS 35 HD2 LYS 35 5.849 -7.270 11.634 288 1HE LYS 35 HE1 LYS 35 5.518 -5.548 13.829 289 2HE LYS 35 HE2 LYS 35 4.097 -6.612 13.861 290 1HZ LYS 35 HZ1 LYS 35 5.513 -8.521 13.657 291 2HZ LYS 35 HZ2 LYS 35 6.088 -7.588 14.954 292 3HZ LYS 35 HZ3 LYS 35 6.891 -7.553 13.458 293 H LYS 36 HN LYS 36 7.919 -4.992 8.448 294 HA LYS 36 HA LYS 36 9.762 -4.129 10.437 295 1HB LYS 36 HB2 LYS 36 9.945 -6.108 8.939 296 2HB LYS 36 HB1 LYS 36 10.242 -5.027 7.579 297 1HG LYS 36 HG1 LYS 36 12.260 -4.159 8.695 298 2HG LYS 36 HG2 LYS 36 11.958 -5.219 10.075 299 1HD LYS 36 HD1 LYS 36 12.189 -7.193 8.634 300 2HD LYS 36 HD2 LYS 36 12.426 -6.158 7.227 301 1HE LYS 36 HE2 LYS 36 14.492 -5.251 8.212 302 2HE LYS 36 HE1 LYS 36 14.238 -6.224 9.672 303 1HZ LYS 36 HZ1 LYS 36 14.925 -8.070 8.632 304 2HZ LYS 36 HZ2 LYS 36 15.545 -7.051 7.423 305 3HZ LYS 36 HZ3 LYS 36 14.007 -7.748 7.241 306 H HIS 37 HN HIS 37 9.293 -2.912 7.095 307 HA HIS 37 HA HIS 37 11.447 -0.994 7.360 308 1HB HIS 37 HB1 HIS 37 9.280 -1.558 5.329 309 2HB HIS 37 HB2 HIS 37 10.494 -0.302 5.086 310 HD1 HIS 37 HD1 HIS 37 12.823 -1.037 4.395 311 HD2 HIS 37 HD2 HIS 37 10.401 -4.247 5.495 312 HE1 HIS 37 HE1 HIS 37 14.097 -3.138 3.783 313 H SER 38 HN SER 38 7.885 -0.574 7.049 314 HA SER 38 HA SER 38 7.902 2.247 7.057 315 1HB SER 38 HB1 SER 38 5.878 0.186 7.959 316 2HB SER 38 HB2 SER 38 5.495 1.902 7.814 317 HG SER 38 HG SER 38 5.140 1.423 5.808 318 H ILE 39 HN ILE 39 7.712 0.004 9.816 319 HA ILE 39 HA ILE 39 7.578 0.493 12.152 320 HB ILE 39 HB ILE 39 9.974 1.970 11.023 321 1HG1 ILE 39 HG12 ILE 39 9.792 -0.487 10.572 322 2HG1 ILE 39 HG11 ILE 39 11.175 -0.074 11.586 323 1HG2 ILE 39 HG21 ILE 39 10.062 2.827 13.140 324 2HG2 ILE 39 HG22 ILE 39 10.691 1.228 13.537 325 3HG2 ILE 39 HG23 ILE 39 8.984 1.591 13.789 326 1HD1 ILE 39 HD11 ILE 39 8.872 -1.743 12.205 327 2HD1 ILE 39 HD12 ILE 39 9.063 -0.450 13.388 328 3HD1 ILE 39 HD13 ILE 39 10.391 -1.569 13.086 329 H CYS 40 HN CYS 40 5.736 2.188 10.886 330 HA CYS 40 HA CYS 40 6.119 4.751 12.395 331 1HB CYS 40 HB1 CYS 40 5.354 5.946 10.446 332 2HB CYS 40 HB2 CYS 40 6.589 4.813 9.887 333 HG CYS 40 HG CYS 40 4.884 3.623 8.541 334 HA PRO 41 HA PRO 41 2.070 4.499 14.028 335 1HB PRO 41 HB2 PRO 41 1.189 6.788 12.327 336 2HB PRO 41 HB1 PRO 41 1.089 6.589 14.086 337 1HG PRO 41 HG1 PRO 41 2.908 8.186 12.932 338 2HG PRO 41 HG2 PRO 41 3.246 7.290 14.418 339 1HD PRO 41 HD1 PRO 41 4.225 6.814 11.663 340 2HD PRO 41 HD2 PRO 41 4.983 6.421 13.219 341 H SER 42 HN SER 42 2.361 4.909 10.542 342 HA SER 42 HA SER 42 -0.054 3.173 10.165 343 1HB SER 42 HB2 SER 42 0.222 4.069 7.755 344 2HB SER 42 HB1 SER 42 -0.332 5.213 8.979 345 HG SER 42 HG SER 42 2.230 4.934 7.835 346 H GLY 43 HN GLY 43 2.777 2.413 10.915 347 1HA GLY 43 HA1 GLY 43 3.491 0.786 8.516 348 2HA GLY 43 HA2 GLY 43 4.583 1.120 9.863 349 H LYS 44 HN LYS 44 3.639 0.332 12.059 350 HA LYS 44 HA LYS 44 3.085 -2.492 12.037 351 1HB LYS 44 HB2 LYS 44 4.075 -1.289 13.923 352 2HB LYS 44 HB1 LYS 44 2.634 -0.286 14.074 353 1HG LYS 44 HG1 LYS 44 2.562 -2.063 15.748 354 2HG LYS 44 HG2 LYS 44 1.300 -2.341 14.549 355 1HD LYS 44 HD1 LYS 44 2.587 -4.044 13.462 356 2HD LYS 44 HD2 LYS 44 4.037 -3.621 14.373 357 1HE LYS 44 HE2 LYS 44 1.792 -4.237 16.145 358 2HE LYS 44 HE1 LYS 44 2.195 -5.598 15.082 359 1HZ LYS 44 HZ1 LYS 44 4.622 -4.837 15.667 360 2HZ LYS 44 HZ2 LYS 44 3.768 -5.867 16.712 361 3HZ LYS 44 HZ3 LYS 44 3.875 -4.206 17.052 362 H ARG 45 HN ARG 45 1.002 0.399 12.263 363 HA ARG 45 HA ARG 45 -1.414 -1.334 12.246 364 1HB ARG 45 HB2 ARG 45 -1.449 0.315 13.942 365 2HB ARG 45 HB1 ARG 45 -0.780 1.552 12.878 366 1HG ARG 45 HG2 ARG 45 -3.129 2.020 13.125 367 2HG ARG 45 HG1 ARG 45 -2.894 1.371 11.503 368 1HD ARG 45 HD1 ARG 45 -3.593 -0.872 12.305 369 2HD ARG 45 HD2 ARG 45 -3.846 -0.201 13.927 370 HE ARG 45 HE ARG 45 -5.580 0.218 11.611 371 1HH1 ARG 45 HH11 ARG 45 -4.362 1.521 14.572 372 2HH1 ARG 45 HH12 ARG 45 -5.745 2.526 14.846 373 1HH2 ARG 45 HH21 ARG 45 -7.384 1.525 11.961 374 2HH2 ARG 45 HH22 ARG 45 -7.454 2.528 13.371 375 H GLY 46 HN GLY 46 0.108 1.328 10.401 376 1HA GLY 46 HA2 GLY 46 -1.984 1.316 8.371 377 2HA GLY 46 HA1 GLY 46 -0.466 2.198 8.276 378 H GLY 47 HN GLY 47 0.952 -0.420 8.965 379 1HA GLY 47 HA2 GLY 47 1.358 -1.374 6.249 380 2HA GLY 47 HA1 GLY 47 2.061 -2.072 7.701 381 H ASP 48 HN ASP 48 -1.095 -1.874 8.453 382 HA ASP 48 HA ASP 48 -2.309 -3.976 6.904 383 1HB ASP 48 HB2 ASP 48 -0.406 -5.105 8.213 384 2HB ASP 48 HB1 ASP 48 -1.352 -4.774 9.664 385 H LEU 49 HN LEU 49 -3.666 -1.910 7.282 386 HA LEU 49 HA LEU 49 -4.767 -1.360 9.879 387 1HB LEU 49 HB1 LEU 49 -5.587 -0.695 7.033 388 2HB LEU 49 HB2 LEU 49 -6.400 -0.024 8.448 389 HG LEU 49 HG LEU 49 -3.424 0.156 8.387 390 1HD1 LEU 49 HD11 LEU 49 -4.701 0.862 6.088 391 2HD1 LEU 49 HD12 LEU 49 -3.249 1.667 6.684 392 3HD1 LEU 49 HD13 LEU 49 -4.838 2.362 7.006 393 1HD2 LEU 49 HD21 LEU 49 -5.729 1.877 9.307 394 2HD2 LEU 49 HD22 LEU 49 -4.066 2.468 9.282 395 3HD2 LEU 49 HD23 LEU 49 -4.498 1.089 10.293 396 H GLY 50 HN GLY 50 -5.713 -3.544 7.274 397 1HA GLY 50 HA2 GLY 50 -7.048 -5.527 7.924 398 2HA GLY 50 HA1 GLY 50 -7.960 -4.477 9.009 399 H GLU 51 HN GLU 51 -9.993 -4.759 8.063 400 HA GLU 51 HA GLU 51 -10.234 -4.070 5.159 401 1HB GLU 51 HB2 GLU 51 -10.879 -6.358 6.188 402 2HB GLU 51 HB1 GLU 51 -12.252 -5.502 6.891 403 1HG GLU 51 HG2 GLU 51 -12.902 -4.734 4.614 404 2HG GLU 51 HG1 GLU 51 -11.564 -5.665 3.940 405 H PHE 52 HN PHE 52 -11.505 -2.338 4.592 406 HA PHE 52 HA PHE 52 -13.543 -1.315 6.474 407 1HB PHE 52 HB1 PHE 52 -12.486 1.061 5.919 408 2HB PHE 52 HB2 PHE 52 -11.870 0.094 7.256 409 HD1 PHE 52 HD1 PHE 52 -11.311 -0.600 3.635 410 HD2 PHE 52 HD2 PHE 52 -9.612 0.852 7.306 411 HE1 PHE 52 HE1 PHE 52 -9.060 -0.614 2.597 412 HE2 PHE 52 HE2 PHE 52 -7.360 0.839 6.268 413 HZ PHE 52 HZ PHE 52 -7.083 0.107 3.913 414 H ARG 53 HN ARG 53 -14.866 0.457 5.327 415 HA ARG 53 HA ARG 53 -16.000 -0.580 3.032 416 1HB ARG 53 HB2 ARG 53 -16.992 1.182 4.404 417 2HB ARG 53 HB1 ARG 53 -15.764 2.321 3.854 418 1HG ARG 53 HG1 ARG 53 -16.551 2.051 1.531 419 2HG ARG 53 HG2 ARG 53 -17.775 0.909 2.078 420 1HD ARG 53 HD2 ARG 53 -18.834 2.673 3.442 421 2HD ARG 53 HD1 ARG 53 -17.588 3.825 2.922 422 HE ARG 53 HE ARG 53 -18.595 2.684 0.564 423 1HH1 ARG 53 HH11 ARG 53 -19.817 4.457 3.265 424 2HH1 ARG 53 HH12 ARG 53 -21.071 5.226 2.352 425 1HH2 ARG 53 HH21 ARG 53 -20.220 3.679 -0.631 426 2HH2 ARG 53 HH22 ARG 53 -21.302 4.785 0.149 427 H GLN 54 HN GLN 54 -14.472 2.580 2.535 428 HA GLN 54 HA GLN 54 -12.406 1.699 0.734 429 1HB GLN 54 HB2 GLN 54 -13.512 2.028 -1.376 430 2HB GLN 54 HB1 GLN 54 -14.572 0.999 -0.413 431 1HG GLN 54 HG2 GLN 54 -15.693 3.208 0.344 432 2HG GLN 54 HG1 GLN 54 -14.860 3.938 -1.027 433 1HE2 GLN 54 HE21 GLN 54 -16.489 4.180 -2.596 434 2HE2 GLN 54 HE22 GLN 54 -17.513 2.929 -3.112 435 H GLY 55 HN GLY 55 -11.046 3.431 0.452 436 1HA GLY 55 HA2 GLY 55 -10.478 5.676 -0.085 437 2HA GLY 55 HA1 GLY 55 -12.164 6.132 0.155 438 H GLN 56 HN GLN 56 -11.690 4.423 2.814 439 HA GLN 56 HA GLN 56 -11.745 6.656 4.523 440 1HB GLN 56 HB2 GLN 56 -11.092 4.928 6.304 441 2HB GLN 56 HB1 GLN 56 -12.559 4.600 5.383 442 1HG GLN 56 HG1 GLN 56 -10.008 3.486 4.315 443 2HG GLN 56 HG2 GLN 56 -10.619 2.774 5.800 444 1HE2 GLN 56 HE21 GLN 56 -10.573 1.917 2.803 445 2HE2 GLN 56 HE22 GLN 56 -12.157 1.343 2.550 446 H MET 57 HN MET 57 -8.956 4.721 3.510 447 HA MET 57 HA MET 57 -7.292 5.840 5.570 448 1HB MET 57 HB2 MET 57 -7.074 3.558 4.697 449 2HB MET 57 HB1 MET 57 -6.695 4.189 3.094 450 1HG MET 57 HG2 MET 57 -4.673 5.276 3.994 451 2HG MET 57 HG1 MET 57 -5.055 4.666 5.605 452 1HE MET 57 HE1 MET 57 -2.680 4.340 5.192 453 2HE MET 57 HE2 MET 57 -2.061 3.635 3.701 454 3HE MET 57 HE3 MET 57 -2.143 2.654 5.162 455 H VAL 58 HN VAL 58 -7.490 6.294 2.042 456 HA VAL 58 HA VAL 58 -6.263 8.947 2.130 457 HB VAL 58 HB VAL 58 -4.360 7.482 2.662 458 1HG1 VAL 58 HG21 VAL 58 -4.730 6.134 -0.005 459 2HG1 VAL 58 HG22 VAL 58 -5.523 5.508 1.440 460 3HG1 VAL 58 HG23 VAL 58 -3.763 5.607 1.372 461 1HG2 VAL 58 HG11 VAL 58 -3.015 8.738 1.361 462 2HG2 VAL 58 HG12 VAL 58 -4.460 9.299 0.523 463 3HG2 VAL 58 HG13 VAL 58 -3.565 7.913 -0.097 464 HA PRO 59 HA PRO 59 -8.659 9.092 -1.571 465 1HB PRO 59 HB2 PRO 59 -6.946 11.013 -2.799 466 2HB PRO 59 HB1 PRO 59 -8.442 11.331 -1.905 467 1HG PRO 59 HG1 PRO 59 -5.634 11.537 -1.023 468 2HG PRO 59 HG2 PRO 59 -7.067 12.396 -0.444 469 1HD PRO 59 HD2 PRO 59 -5.855 10.441 0.985 470 2HD PRO 59 HD1 PRO 59 -7.605 10.741 1.065 471 H ALA 60 HN ALA 60 -5.116 9.338 -2.072 472 HA ALA 60 HA ALA 60 -4.829 8.342 -4.630 473 1HB ALA 60 HB1 ALA 60 -2.762 8.734 -3.779 474 2HB ALA 60 HB2 ALA 60 -2.819 7.077 -3.180 475 3HB ALA 60 HB3 ALA 60 -3.297 8.412 -2.130 476 H PHE 61 HN PHE 61 -5.478 6.423 -1.691 477 HA PHE 61 HA PHE 61 -5.168 3.822 -2.813 478 1HB PHE 61 HB2 PHE 61 -5.370 4.242 -0.426 479 2HB PHE 61 HB1 PHE 61 -6.982 4.916 -0.645 480 HD1 PHE 61 HD1 PHE 61 -8.705 3.517 0.018 481 HD2 PHE 61 HD2 PHE 61 -5.180 1.803 -1.749 482 HE1 PHE 61 HE1 PHE 61 -9.701 1.254 0.228 483 HE2 PHE 61 HE2 PHE 61 -6.176 -0.461 -1.538 484 HZ PHE 61 HZ PHE 61 -8.437 -0.735 -0.551 485 H ASP 62 HN ASP 62 -7.999 6.001 -2.741 486 HA ASP 62 HA ASP 62 -9.907 4.201 -3.852 487 1HB ASP 62 HB1 ASP 62 -10.407 6.389 -2.822 488 2HB ASP 62 HB2 ASP 62 -9.590 7.204 -4.155 489 H LYS 63 HN LYS 63 -7.707 6.517 -5.450 490 HA LYS 63 HA LYS 63 -8.513 6.024 -8.130 491 1HB LYS 63 HB1 LYS 63 -5.906 6.857 -6.832 492 2HB LYS 63 HB2 LYS 63 -6.161 6.894 -8.577 493 1HG LYS 63 HG1 LYS 63 -8.099 8.393 -8.265 494 2HG LYS 63 HG2 LYS 63 -7.847 8.357 -6.520 495 1HD LYS 63 HD2 LYS 63 -5.603 9.344 -6.825 496 2HD LYS 63 HD1 LYS 63 -5.856 9.379 -8.569 497 1HE LYS 63 HE1 LYS 63 -6.381 11.592 -7.700 498 2HE LYS 63 HE2 LYS 63 -7.917 10.817 -8.131 499 1HZ LYS 63 HZ1 LYS 63 -6.761 10.426 -5.445 500 2HZ LYS 63 HZ2 LYS 63 -8.384 10.327 -5.934 501 3HZ LYS 63 HZ3 LYS 63 -7.631 11.842 -5.776 502 H VAL 64 HN VAL 64 -5.818 4.533 -6.273 503 HA VAL 64 HA VAL 64 -5.043 2.819 -8.457 504 HB VAL 64 HB VAL 64 -3.530 3.575 -6.669 505 1HG1 VAL 64 HG21 VAL 64 -5.208 3.520 -4.825 506 2HG1 VAL 64 HG22 VAL 64 -3.727 2.666 -4.400 507 3HG1 VAL 64 HG23 VAL 64 -5.163 1.758 -4.869 508 1HG2 VAL 64 HG11 VAL 64 -2.983 1.489 -7.842 509 2HG2 VAL 64 HG12 VAL 64 -3.963 0.574 -6.696 510 3HG2 VAL 64 HG13 VAL 64 -2.492 1.380 -6.152 511 H VAL 65 HN VAL 65 -6.902 2.116 -5.446 512 HA VAL 65 HA VAL 65 -7.422 -0.646 -6.059 513 HB VAL 65 HB VAL 65 -7.884 0.689 -3.910 514 1HG1 VAL 65 HG21 VAL 65 -10.102 1.746 -3.778 515 2HG1 VAL 65 HG22 VAL 65 -10.376 1.406 -5.486 516 3HG1 VAL 65 HG23 VAL 65 -9.110 2.536 -5.002 517 1HG2 VAL 65 HG11 VAL 65 -10.234 -0.586 -3.726 518 2HG2 VAL 65 HG12 VAL 65 -8.705 -1.465 -3.754 519 3HG2 VAL 65 HG13 VAL 65 -9.665 -1.319 -5.227 520 H PHE 66 HN PHE 66 -8.594 2.360 -7.372 521 HA PHE 66 HA PHE 66 -10.716 0.975 -8.951 522 1HB PHE 66 HB1 PHE 66 -11.225 3.094 -7.783 523 2HB PHE 66 HB2 PHE 66 -9.909 3.888 -8.647 524 HD1 PHE 66 HD1 PHE 66 -10.084 4.394 -11.036 525 HD2 PHE 66 HD2 PHE 66 -13.290 2.460 -8.924 526 HE1 PHE 66 HE1 PHE 66 -11.615 4.862 -12.932 527 HE2 PHE 66 HE2 PHE 66 -14.822 2.927 -10.819 528 HZ PHE 66 HZ PHE 66 -13.985 4.129 -12.823 529 H SER 67 HN SER 67 -7.461 1.587 -9.145 530 HA SER 67 HA SER 67 -7.374 2.007 -12.077 531 1HB SER 67 HB1 SER 67 -5.929 3.307 -10.487 532 2HB SER 67 HB2 SER 67 -5.166 1.790 -10.012 533 HG SER 67 HG SER 67 -5.062 3.156 -12.461 534 H CYS 68 HN CYS 68 -5.567 -0.058 -9.780 535 HA CYS 68 HA CYS 68 -5.586 -2.280 -11.761 536 1HB CYS 68 HB2 CYS 68 -4.246 -1.886 -9.063 537 2HB CYS 68 HB1 CYS 68 -3.971 -3.261 -10.134 538 HG CYS 68 HG CYS 68 -2.192 -1.780 -11.063 539 HA PRO 69 HA PRO 69 -9.190 -4.065 -9.852 540 1HB PRO 69 HB1 PRO 69 -8.051 -6.649 -10.687 541 2HB PRO 69 HB2 PRO 69 -9.580 -5.891 -11.159 542 1HG PRO 69 HG2 PRO 69 -7.308 -6.093 -12.732 543 2HG PRO 69 HG1 PRO 69 -8.677 -5.016 -13.018 544 1HD PRO 69 HD2 PRO 69 -5.979 -4.357 -12.203 545 2HD PRO 69 HD1 PRO 69 -7.296 -3.273 -12.689 546 H VAL 70 HN VAL 70 -9.569 -5.758 -8.125 547 HA VAL 70 HA VAL 70 -7.777 -5.491 -5.948 548 HB VAL 70 HB VAL 70 -9.187 -7.339 -4.993 549 1HG1 VAL 70 HG11 VAL 70 -11.394 -5.946 -6.021 550 2HG1 VAL 70 HG12 VAL 70 -10.062 -4.792 -6.081 551 3HG1 VAL 70 HG13 VAL 70 -10.498 -5.559 -4.553 552 1HG2 VAL 70 HG21 VAL 70 -10.894 -8.367 -6.346 553 2HG2 VAL 70 HG22 VAL 70 -9.366 -8.556 -7.207 554 3HG2 VAL 70 HG23 VAL 70 -10.517 -7.320 -7.714 555 H LEU 71 HN LEU 71 -6.707 -7.397 -4.817 556 HA LEU 71 HA LEU 71 -5.068 -9.089 -4.803 557 1HB LEU 71 HB2 LEU 71 -6.808 -9.800 -7.167 558 2HB LEU 71 HB1 LEU 71 -5.417 -10.786 -6.732 559 HG LEU 71 HG LEU 71 -6.489 -10.646 -4.312 560 1HD1 LEU 71 HD21 LEU 71 -8.366 -9.205 -5.747 561 2HD1 LEU 71 HD22 LEU 71 -8.649 -9.967 -4.182 562 3HD1 LEU 71 HD23 LEU 71 -9.089 -10.811 -5.666 563 1HD2 LEU 71 HD11 LEU 71 -6.275 -12.797 -5.150 564 2HD2 LEU 71 HD12 LEU 71 -7.118 -12.409 -6.649 565 3HD2 LEU 71 HD13 LEU 71 -8.031 -12.643 -5.159 566 H GLU 72 HN GLU 72 -4.680 -6.490 -6.347 567 HA GLU 72 HA GLU 72 -2.380 -7.456 -8.012 568 1HB GLU 72 HB1 GLU 72 -4.556 -6.587 -9.174 569 2HB GLU 72 HB2 GLU 72 -4.002 -4.996 -8.655 570 1HG GLU 72 HG2 GLU 72 -2.604 -6.945 -10.499 571 2HG GLU 72 HG1 GLU 72 -3.114 -5.295 -10.849 572 HA PRO 73 HA PRO 73 -0.717 -4.705 -4.698 573 1HB PRO 73 HB2 PRO 73 1.734 -5.984 -5.806 574 2HB PRO 73 HB1 PRO 73 1.240 -5.776 -4.116 575 1HG PRO 73 HG1 PRO 73 1.111 -8.147 -5.384 576 2HG PRO 73 HG2 PRO 73 -0.033 -7.675 -4.120 577 1HD PRO 73 HD1 PRO 73 -0.431 -7.876 -7.048 578 2HD PRO 73 HD2 PRO 73 -1.607 -8.045 -5.729 579 H THR 74 HN THR 74 -0.764 -2.648 -5.582 580 HA THR 74 HA THR 74 0.730 -2.211 -8.145 581 HB THR 74 HB THR 74 -1.727 -0.868 -6.972 582 HG1 THR 74 HG1 THR 74 -1.273 -2.928 -8.817 583 1HG2 THR 74 HG21 THR 74 -0.216 0.532 -8.475 584 2HG2 THR 74 HG22 THR 74 -1.883 0.352 -9.019 585 3HG2 THR 74 HG23 THR 74 -0.604 -0.605 -9.766 586 H GLY 75 HN GLY 75 2.365 -0.733 -8.081 587 1HA GLY 75 HA1 GLY 75 2.637 1.734 -7.067 588 2HA GLY 75 HA2 GLY 75 2.804 0.790 -5.587 589 HA PRO 76 HA PRO 76 4.194 1.862 -4.675 590 1HB PRO 76 HB1 PRO 76 6.253 3.648 -4.425 591 2HB PRO 76 HB2 PRO 76 6.314 2.000 -3.776 592 1HG PRO 76 HG2 PRO 76 7.567 3.128 -6.217 593 2HG PRO 76 HG1 PRO 76 8.157 1.866 -5.125 594 1HD PRO 76 HD1 PRO 76 6.999 1.422 -7.600 595 2HD PRO 76 HD2 PRO 76 7.126 0.220 -6.301 596 H LEU 77 HN LEU 77 2.897 3.701 -4.701 597 HA LEU 77 HA LEU 77 2.847 5.246 -7.240 598 1HB LEU 77 HB2 LEU 77 0.963 4.281 -5.236 599 2HB LEU 77 HB1 LEU 77 0.703 5.987 -5.600 600 HG LEU 77 HG LEU 77 -0.587 4.543 -7.140 601 1HD1 LEU 77 HD11 LEU 77 0.730 6.743 -7.816 602 2HD1 LEU 77 HD12 LEU 77 -0.078 5.773 -9.048 603 3HD1 LEU 77 HD13 LEU 77 1.662 5.620 -8.806 604 1HD2 LEU 77 HD21 LEU 77 2.155 3.509 -7.924 605 2HD2 LEU 77 HD22 LEU 77 0.642 3.105 -8.737 606 3HD2 LEU 77 HD23 LEU 77 0.914 2.588 -7.073 607 H HIS 78 HN HIS 78 2.119 7.642 -6.876 608 HA HIS 78 HA HIS 78 4.031 8.813 -4.897 609 1HB HIS 78 HB1 HIS 78 2.846 9.815 -7.504 610 2HB HIS 78 HB2 HIS 78 3.972 10.736 -6.502 611 HD1 HIS 78 HD1 HIS 78 4.690 9.752 -9.410 612 HD2 HIS 78 HD2 HIS 78 5.741 7.780 -5.891 613 HE1 HIS 78 HE1 HIS 78 6.692 8.304 -9.972 614 H THR 79 HN THR 79 3.204 9.954 -3.229 615 HA THR 79 HA THR 79 0.639 11.424 -3.587 616 HB THR 79 HB THR 79 0.288 9.147 -2.480 617 HG1 THR 79 HG1 THR 79 -0.635 10.429 -0.496 618 1HG2 THR 79 HG21 THR 79 1.116 9.946 0.139 619 2HG2 THR 79 HG22 THR 79 2.503 10.086 -0.940 620 3HG2 THR 79 HG23 THR 79 1.652 8.551 -0.795 621 H GLN 80 HN GLN 80 0.383 13.032 -1.714 622 HA GLN 80 HA GLN 80 2.687 14.674 -1.461 623 1HB GLN 80 HB1 GLN 80 0.341 15.397 -1.225 624 2HB GLN 80 HB2 GLN 80 0.195 14.452 0.257 625 1HG GLN 80 HG2 GLN 80 1.964 15.819 1.304 626 2HG GLN 80 HG1 GLN 80 2.112 16.764 -0.178 627 1HE2 GLN 80 HE21 GLN 80 1.424 18.174 2.113 628 2HE2 GLN 80 HE22 GLN 80 -0.212 18.623 2.062 629 H PHE 81 HN PHE 81 1.323 12.255 0.781 630 HA PHE 81 HA PHE 81 3.038 12.814 2.993 631 1HB PHE 81 HB2 PHE 81 1.646 10.282 2.065 632 2HB PHE 81 HB1 PHE 81 2.331 10.506 3.675 633 HD1 PHE 81 HD1 PHE 81 1.391 12.210 5.221 634 HD2 PHE 81 HD2 PHE 81 -0.417 11.357 1.415 635 HE1 PHE 81 HE1 PHE 81 -0.685 13.361 5.948 636 HE2 PHE 81 HE2 PHE 81 -2.492 12.509 2.143 637 HZ PHE 81 HZ PHE 81 -2.625 13.510 4.410 638 H GLY 82 HN GLY 82 3.700 11.271 -0.032 639 1HA GLY 82 HA2 GLY 82 6.337 11.067 -0.173 640 2HA GLY 82 HA1 GLY 82 6.061 9.853 1.078 641 H TYR 83 HN TYR 83 6.621 8.027 -0.155 642 HA TYR 83 HA TYR 83 5.178 7.580 -2.723 643 1HB TYR 83 HB1 TYR 83 7.513 6.309 -1.284 644 2HB TYR 83 HB2 TYR 83 6.785 5.562 -2.708 645 HD1 TYR 83 HD1 TYR 83 6.934 6.615 -4.908 646 HD2 TYR 83 HD2 TYR 83 8.699 8.448 -1.444 647 HE1 TYR 83 HE1 TYR 83 8.203 8.164 -6.375 648 HE2 TYR 83 HE2 TYR 83 9.969 9.997 -2.910 649 HH TYR 83 HH TYR 83 10.744 10.169 -5.166 650 H HIS 84 HN HIS 84 3.319 6.421 -2.657 651 HA HIS 84 HA HIS 84 2.806 4.629 -0.310 652 1HB HIS 84 HB2 HIS 84 1.076 6.180 -2.236 653 2HB HIS 84 HB1 HIS 84 0.411 4.796 -1.381 654 HD1 HIS 84 HD1 HIS 84 -0.695 7.563 -0.749 655 HD2 HIS 84 HD2 HIS 84 2.486 5.861 1.343 656 HE1 HIS 84 HE1 HIS 84 -0.626 8.716 1.499 657 H ILE 85 HN ILE 85 3.114 2.485 -0.719 658 HA ILE 85 HA ILE 85 2.365 1.485 -3.454 659 HB ILE 85 HB ILE 85 4.750 1.114 -2.610 660 1HG1 ILE 85 HG12 ILE 85 3.443 -1.557 -2.907 661 2HG1 ILE 85 HG11 ILE 85 3.226 -0.395 -4.213 662 1HG2 ILE 85 HG21 ILE 85 3.696 0.570 -0.245 663 2HG2 ILE 85 HG22 ILE 85 5.165 -0.246 -0.779 664 3HG2 ILE 85 HG23 ILE 85 3.606 -1.062 -0.905 665 1HD1 ILE 85 HD11 ILE 85 5.206 -1.785 -4.634 666 2HD1 ILE 85 HD12 ILE 85 5.884 -1.312 -3.077 667 3HD1 ILE 85 HD13 ILE 85 5.685 -0.112 -4.353 668 H ILE 86 HN ILE 86 0.396 0.517 -3.417 669 HA ILE 86 HA ILE 86 -0.668 -0.336 -0.761 670 HB ILE 86 HB ILE 86 -2.007 0.651 -3.296 671 1HG1 ILE 86 HG11 ILE 86 -1.617 2.029 -0.623 672 2HG1 ILE 86 HG12 ILE 86 -0.602 2.315 -2.037 673 1HG2 ILE 86 HG21 ILE 86 -3.079 -0.821 -1.145 674 2HG2 ILE 86 HG22 ILE 86 -3.978 0.061 -2.379 675 3HG2 ILE 86 HG23 ILE 86 -3.557 0.851 -0.860 676 1HD1 ILE 86 HD11 ILE 86 -2.782 3.801 -1.511 677 2HD1 ILE 86 HD12 ILE 86 -3.546 2.509 -2.437 678 3HD1 ILE 86 HD13 ILE 86 -2.248 3.462 -3.158 679 H LYS 87 HN LYS 87 -1.256 -2.409 -0.477 680 HA LYS 87 HA LYS 87 -1.600 -4.198 -2.857 681 1HB LYS 87 HB2 LYS 87 0.070 -4.774 -1.057 682 2HB LYS 87 HB1 LYS 87 -1.265 -4.840 0.090 683 1HG LYS 87 HG2 LYS 87 -2.333 -6.615 -1.247 684 2HG LYS 87 HG1 LYS 87 -0.989 -6.559 -2.390 685 1HD LYS 87 HD2 LYS 87 0.520 -6.981 -0.330 686 2HD LYS 87 HD1 LYS 87 -0.966 -7.450 0.496 687 1HE LYS 87 HE1 LYS 87 -0.739 -8.696 -2.145 688 2HE LYS 87 HE2 LYS 87 0.601 -9.133 -1.067 689 1HZ LYS 87 HZ1 LYS 87 -1.516 -10.486 -0.827 690 2HZ LYS 87 HZ2 LYS 87 -2.226 -9.093 -0.164 691 3HZ LYS 87 HZ3 LYS 87 -0.894 -9.817 0.601 692 H VAL 88 HN VAL 88 -3.698 -4.856 -3.279 693 HA VAL 88 HA VAL 88 -5.769 -4.174 -1.218 694 HB VAL 88 HB VAL 88 -7.223 -3.654 -3.127 695 1HG1 VAL 88 HG11 VAL 88 -6.224 -1.619 -3.655 696 2HG1 VAL 88 HG12 VAL 88 -4.618 -2.331 -3.810 697 3HG1 VAL 88 HG13 VAL 88 -5.320 -2.076 -2.211 698 1HG2 VAL 88 HG21 VAL 88 -6.722 -4.097 -5.326 699 2HG2 VAL 88 HG22 VAL 88 -5.837 -5.425 -4.578 700 3HG2 VAL 88 HG23 VAL 88 -4.984 -3.961 -5.077 701 H LEU 89 HN LEU 89 -7.262 -5.753 -0.689 702 HA LEU 89 HA LEU 89 -7.162 -8.339 -2.159 703 1HB LEU 89 HB2 LEU 89 -6.988 -7.876 0.837 704 2HB LEU 89 HB1 LEU 89 -6.859 -9.428 0.011 705 HG LEU 89 HG LEU 89 -4.965 -7.098 -0.417 706 1HD1 LEU 89 HD11 LEU 89 -4.404 -9.682 1.052 707 2HD1 LEU 89 HD12 LEU 89 -4.934 -8.222 1.886 708 3HD1 LEU 89 HD13 LEU 89 -3.410 -8.226 0.999 709 1HD2 LEU 89 HD21 LEU 89 -3.895 -8.402 -1.967 710 2HD2 LEU 89 HD22 LEU 89 -5.482 -9.156 -2.116 711 3HD2 LEU 89 HD23 LEU 89 -4.246 -9.896 -1.099 712 H TYR 90 HN TYR 90 -8.787 -9.742 -0.568 713 HA TYR 90 HA TYR 90 -11.121 -10.239 -0.611 714 1HB TYR 90 HB2 TYR 90 -10.531 -8.018 1.339 715 2HB TYR 90 HB1 TYR 90 -12.145 -8.730 1.242 716 HD1 TYR 90 HD1 TYR 90 -8.615 -9.347 2.112 717 HD2 TYR 90 HD2 TYR 90 -12.555 -11.048 1.866 718 HE1 TYR 90 HE1 TYR 90 -7.870 -11.275 3.486 719 HE2 TYR 90 HE2 TYR 90 -11.810 -12.974 3.239 720 HH TYR 90 HH TYR 90 -8.535 -13.623 3.871 721 H ARG 91 HN ARG 91 -11.638 -6.785 -0.006 722 HA ARG 91 HA ARG 91 -13.073 -5.278 -1.132 723 1HB ARG 91 HB1 ARG 91 -11.201 -6.365 -2.938 724 2HB ARG 91 HB2 ARG 91 -12.750 -6.428 -3.779 725 1HG ARG 91 HG1 ARG 91 -12.536 -3.916 -2.389 726 2HG ARG 91 HG2 ARG 91 -11.092 -4.157 -3.373 727 1HD ARG 91 HD1 ARG 91 -12.777 -4.862 -5.248 728 2HD ARG 91 HD2 ARG 91 -13.974 -4.008 -4.257 729 HE ARG 91 HE ARG 91 -11.730 -2.773 -5.694 730 1HH1 ARG 91 HH11 ARG 91 -13.962 -2.575 -3.061 731 2HH1 ARG 91 HH12 ARG 91 -13.912 -0.847 -2.984 732 1HH2 ARG 91 HH21 ARG 91 -11.664 -0.519 -5.599 733 2HH2 ARG 91 HH22 ARG 91 -12.613 0.315 -4.415 734 H ASN 92 HN ASN 92 -14.416 -7.385 0.042 735 HA ASN 92 HA ASN 92 -16.334 -8.760 -0.109 736 1HB ASN 92 HB1 ASN 92 -16.922 -6.248 -0.669 737 2HB ASN 92 HB2 ASN 92 -17.227 -6.896 -2.280 738 1HD2 ASN 92 HD21 ASN 92 -18.452 -6.738 0.992 739 2HD2 ASN 92 HD22 ASN 92 -19.854 -7.656 0.720 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -18.395 -3.238 -5.186 2 2H ALA 1 HT2 ALA 1 -19.049 -4.318 -4.049 3 3H ALA 1 HT3 ALA 1 -18.016 -4.888 -5.272 4 HA ALA 1 HA ALA 1 -16.897 -4.716 -3.081 5 1HB ALA 1 HB1 ALA 1 -15.673 -4.685 -5.181 6 2HB ALA 1 HB2 ALA 1 -14.965 -3.469 -4.117 7 3HB ALA 1 HB3 ALA 1 -16.049 -2.979 -5.419 8 H LYS 2 HN LYS 2 -18.846 -3.294 -2.029 9 HA LYS 2 HA LYS 2 -18.632 -0.454 -1.910 10 1HB LYS 2 HB2 LYS 2 -19.541 -2.533 0.105 11 2HB LYS 2 HB1 LYS 2 -19.875 -0.807 0.245 12 1HG LYS 2 HG1 LYS 2 -20.687 -2.506 -2.132 13 2HG LYS 2 HG2 LYS 2 -21.758 -2.111 -0.788 14 1HD LYS 2 HD2 LYS 2 -21.254 0.340 -1.269 15 2HD LYS 2 HD1 LYS 2 -20.484 -0.201 -2.760 16 1HE LYS 2 HE1 LYS 2 -22.531 -1.046 -3.638 17 2HE LYS 2 HE2 LYS 2 -23.320 -1.002 -2.049 18 1HZ LYS 2 HZ1 LYS 2 -23.139 1.380 -2.022 19 2HZ LYS 2 HZ2 LYS 2 -23.890 0.927 -3.477 20 3HZ LYS 2 HZ3 LYS 2 -22.254 1.386 -3.470 21 H THR 3 HN THR 3 -17.058 -3.005 0.007 22 HA THR 3 HA THR 3 -15.190 -0.918 1.091 23 HB THR 3 HB THR 3 -15.138 -2.281 3.143 24 HG1 THR 3 HG1 THR 3 -16.878 -3.922 1.631 25 1HG2 THR 3 HG21 THR 3 -17.028 -0.573 2.574 26 2HG2 THR 3 HG22 THR 3 -17.239 -1.642 3.961 27 3HG2 THR 3 HG23 THR 3 -18.048 -2.005 2.437 28 H ALA 4 HN ALA 4 -12.967 -1.582 1.233 29 HA ALA 4 HA ALA 4 -12.316 -4.153 -0.164 30 1HB ALA 4 HB1 ALA 4 -10.299 -2.390 -0.812 31 2HB ALA 4 HB2 ALA 4 -11.716 -1.341 -0.774 32 3HB ALA 4 HB3 ALA 4 -11.687 -2.748 -1.837 33 H ALA 5 HN ALA 5 -10.249 -5.095 0.469 34 HA ALA 5 HA ALA 5 -9.360 -4.255 3.199 35 1HB ALA 5 HB1 ALA 5 -9.905 -6.563 3.058 36 2HB ALA 5 HB2 ALA 5 -8.146 -6.536 2.938 37 3HB ALA 5 HB3 ALA 5 -9.127 -6.734 1.485 38 H ALA 6 HN ALA 6 -7.288 -3.388 3.496 39 HA ALA 6 HA ALA 6 -5.433 -3.408 1.151 40 1HB ALA 6 HB1 ALA 6 -7.142 -1.512 1.169 41 2HB ALA 6 HB2 ALA 6 -5.451 -1.017 1.069 42 3HB ALA 6 HB3 ALA 6 -6.314 -0.906 2.604 43 H LEU 7 HN LEU 7 -3.412 -3.846 1.859 44 HA LEU 7 HA LEU 7 -2.543 -2.970 4.589 45 1HB LEU 7 HB1 LEU 7 -1.509 -4.912 2.507 46 2HB LEU 7 HB2 LEU 7 -0.472 -4.341 3.813 47 HG LEU 7 HG LEU 7 -1.822 -5.324 5.477 48 1HD1 LEU 7 HD11 LEU 7 -4.015 -4.607 4.836 49 2HD1 LEU 7 HD12 LEU 7 -4.062 -6.369 4.880 50 3HD1 LEU 7 HD13 LEU 7 -3.945 -5.529 3.333 51 1HD2 LEU 7 HD21 LEU 7 -1.990 -7.660 4.818 52 2HD2 LEU 7 HD22 LEU 7 -0.558 -6.959 4.063 53 3HD2 LEU 7 HD23 LEU 7 -2.024 -7.205 3.115 54 H HIS 8 HN HIS 8 -0.795 -1.426 4.714 55 HA HIS 8 HA HIS 8 -0.009 -0.193 2.091 56 1HB HIS 8 HB1 HIS 8 -0.952 1.208 4.616 57 2HB HIS 8 HB2 HIS 8 -0.474 2.000 3.115 58 HD1 HIS 8 HD1 HIS 8 -2.292 2.369 1.442 59 HD2 HIS 8 HD2 HIS 8 -3.302 -0.603 4.184 60 HE1 HIS 8 HE1 HIS 8 -4.688 1.716 0.940 61 H ILE 9 HN ILE 9 2.104 0.428 1.967 62 HA ILE 9 HA ILE 9 3.657 0.676 4.520 63 HB ILE 9 HB ILE 9 4.600 -0.238 1.788 64 1HG1 ILE 9 HG11 ILE 9 4.384 -1.758 4.400 65 2HG1 ILE 9 HG12 ILE 9 3.260 -1.917 3.052 66 1HG2 ILE 9 HG21 ILE 9 6.176 -0.220 4.360 67 2HG2 ILE 9 HG22 ILE 9 6.194 1.149 3.246 68 3HG2 ILE 9 HG23 ILE 9 6.775 -0.430 2.714 69 1HD1 ILE 9 HD11 ILE 9 5.111 -3.666 3.134 70 2HD1 ILE 9 HD12 ILE 9 6.239 -2.365 2.752 71 3HD1 ILE 9 HD13 ILE 9 4.963 -2.792 1.610 72 H LEU 10 HN LEU 10 4.448 2.720 4.799 73 HA LEU 10 HA LEU 10 4.241 4.638 2.527 74 1HB LEU 10 HB2 LEU 10 3.217 4.807 4.963 75 2HB LEU 10 HB1 LEU 10 4.839 5.360 5.384 76 HG LEU 10 HG LEU 10 2.902 6.599 3.418 77 1HD1 LEU 10 HD11 LEU 10 3.744 7.126 6.128 78 2HD1 LEU 10 HD12 LEU 10 2.512 7.952 5.174 79 3HD1 LEU 10 HD13 LEU 10 4.192 8.481 5.092 80 1HD2 LEU 10 HD21 LEU 10 4.755 8.178 2.863 81 2HD2 LEU 10 HD22 LEU 10 5.078 6.532 2.320 82 3HD2 LEU 10 HD23 LEU 10 5.862 7.152 3.773 83 H VAL 11 HN VAL 11 6.137 5.012 1.456 84 HA VAL 11 HA VAL 11 8.721 4.795 2.962 85 HB VAL 11 HB VAL 11 8.439 4.954 -0.035 86 1HG1 VAL 11 HG21 VAL 11 10.501 3.720 -0.008 87 2HG1 VAL 11 HG22 VAL 11 10.339 3.378 1.715 88 3HG1 VAL 11 HG23 VAL 11 10.663 5.023 1.170 89 1HG2 VAL 11 HG11 VAL 11 7.401 2.841 1.706 90 2HG2 VAL 11 HG12 VAL 11 8.604 2.241 0.564 91 3HG2 VAL 11 HG13 VAL 11 7.169 3.077 -0.027 92 H LYS 12 HN LYS 12 9.768 6.693 3.367 93 HA LYS 12 HA LYS 12 8.672 9.243 2.587 94 1HB LYS 12 HB1 LYS 12 11.369 8.443 3.729 95 2HB LYS 12 HB2 LYS 12 10.706 10.076 3.742 96 1HG LYS 12 HG2 LYS 12 9.320 7.694 5.002 97 2HG LYS 12 HG1 LYS 12 10.363 8.801 5.894 98 1HD LYS 12 HD2 LYS 12 8.909 10.673 5.389 99 2HD LYS 12 HD1 LYS 12 7.930 9.675 4.311 100 1HE LYS 12 HE1 LYS 12 7.244 8.264 6.214 101 2HE LYS 12 HE2 LYS 12 8.256 9.230 7.304 102 1HZ LYS 12 HZ1 LYS 12 7.008 11.214 6.442 103 2HZ LYS 12 HZ2 LYS 12 6.085 10.153 7.393 104 3HZ LYS 12 HZ3 LYS 12 5.924 10.139 5.703 105 H GLU 13 HN GLU 13 11.469 7.343 1.465 106 HA GLU 13 HA GLU 13 11.842 9.339 -0.741 107 1HB GLU 13 HB1 GLU 13 14.216 8.722 -0.592 108 2HB GLU 13 HB2 GLU 13 13.619 9.209 0.994 109 1HG GLU 13 HG1 GLU 13 13.258 6.808 1.560 110 2HG GLU 13 HG2 GLU 13 13.951 6.362 0.001 111 H GLU 14 HN GLU 14 11.957 8.562 -2.833 112 HA GLU 14 HA GLU 14 10.690 6.128 -3.499 113 1HB GLU 14 HB2 GLU 14 10.918 8.122 -4.944 114 2HB GLU 14 HB1 GLU 14 12.649 7.818 -5.088 115 1HG GLU 14 HG1 GLU 14 12.178 5.627 -6.127 116 2HG GLU 14 HG2 GLU 14 10.445 5.932 -5.983 117 H LYS 15 HN LYS 15 14.172 6.882 -3.294 118 HA LYS 15 HA LYS 15 15.254 4.634 -4.525 119 1HB LYS 15 HB1 LYS 15 16.425 6.644 -3.557 120 2HB LYS 15 HB2 LYS 15 16.232 5.923 -1.959 121 1HG LYS 15 HG2 LYS 15 17.563 4.002 -2.597 122 2HG LYS 15 HG1 LYS 15 17.618 4.541 -4.275 123 1HD LYS 15 HD2 LYS 15 18.937 6.480 -3.673 124 2HD LYS 15 HD1 LYS 15 18.740 6.138 -1.953 125 1HE LYS 15 HE1 LYS 15 19.999 4.027 -2.220 126 2HE LYS 15 HE2 LYS 15 20.184 4.356 -3.953 127 1HZ LYS 15 HZ1 LYS 15 22.098 5.272 -3.017 128 2HZ LYS 15 HZ2 LYS 15 21.275 5.864 -1.652 129 3HZ LYS 15 HZ3 LYS 15 21.071 6.614 -3.163 130 H LEU 16 HN LEU 16 14.112 4.885 -1.143 131 HA LEU 16 HA LEU 16 14.819 2.175 -0.409 132 1HB LEU 16 HB2 LEU 16 14.335 4.099 1.131 133 2HB LEU 16 HB1 LEU 16 12.638 3.999 0.656 134 HG LEU 16 HG LEU 16 14.103 1.581 1.709 135 1HD1 LEU 16 HD11 LEU 16 12.475 2.693 3.751 136 2HD1 LEU 16 HD12 LEU 16 13.511 3.993 3.160 137 3HD1 LEU 16 HD13 LEU 16 14.227 2.497 3.759 138 1HD2 LEU 16 HD21 LEU 16 11.464 2.178 0.769 139 2HD2 LEU 16 HD22 LEU 16 11.366 1.782 2.484 140 3HD2 LEU 16 HD23 LEU 16 12.093 0.638 1.354 141 H ALA 17 HN ALA 17 11.805 3.693 -1.589 142 HA ALA 17 HA ALA 17 10.158 1.358 -1.579 143 1HB ALA 17 HB1 ALA 17 8.679 2.780 -2.633 144 2HB ALA 17 HB2 ALA 17 9.905 3.396 -3.742 145 3HB ALA 17 HB3 ALA 17 9.840 3.987 -2.081 146 H LEU 18 HN LEU 18 12.243 2.741 -4.123 147 HA LEU 18 HA LEU 18 11.932 0.609 -6.041 148 1HB LEU 18 HB2 LEU 18 12.872 2.637 -6.810 149 2HB LEU 18 HB1 LEU 18 13.937 2.783 -5.413 150 HG LEU 18 HG LEU 18 15.240 0.879 -6.181 151 1HD1 LEU 18 HD21 LEU 18 14.111 -0.607 -7.475 152 2HD1 LEU 18 HD22 LEU 18 14.527 0.460 -8.816 153 3HD1 LEU 18 HD23 LEU 18 12.962 0.616 -8.019 154 1HD2 LEU 18 HD11 LEU 18 15.932 1.958 -8.483 155 2HD2 LEU 18 HD12 LEU 18 16.175 2.862 -6.988 156 3HD2 LEU 18 HD13 LEU 18 14.784 3.214 -8.015 157 H ASP 19 HN ASP 19 14.087 1.166 -3.270 158 HA ASP 19 HA ASP 19 15.726 -1.167 -3.609 159 1HB ASP 19 HB2 ASP 19 16.039 0.859 -2.090 160 2HB ASP 19 HB1 ASP 19 14.843 0.129 -1.019 161 H LEU 20 HN LEU 20 12.764 -0.639 -1.639 162 HA LEU 20 HA LEU 20 12.700 -3.345 -0.685 163 1HB LEU 20 HB1 LEU 20 10.796 -2.654 0.482 164 2HB LEU 20 HB2 LEU 20 11.631 -1.128 0.214 165 HG LEU 20 HG LEU 20 10.170 -0.844 -1.862 166 1HD1 LEU 20 HD11 LEU 20 8.754 -2.500 -2.455 167 2HD1 LEU 20 HD12 LEU 20 7.980 -2.409 -0.872 168 3HD1 LEU 20 HD13 LEU 20 9.363 -3.476 -1.117 169 1HD2 LEU 20 HD21 LEU 20 8.395 -1.013 0.510 170 2HD2 LEU 20 HD22 LEU 20 8.619 0.306 -0.638 171 3HD2 LEU 20 HD23 LEU 20 9.822 0.019 0.621 172 H LEU 21 HN LEU 21 10.816 -1.720 -3.255 173 HA LEU 21 HA LEU 21 9.128 -3.893 -3.779 174 1HB LEU 21 HB2 LEU 21 8.267 -2.332 -5.147 175 2HB LEU 21 HB1 LEU 21 9.610 -1.294 -4.730 176 HG LEU 21 HG LEU 21 9.342 -1.455 -7.149 177 1HD1 LEU 21 HD11 LEU 21 11.685 -1.848 -5.697 178 2HD1 LEU 21 HD12 LEU 21 11.557 -1.277 -7.359 179 3HD1 LEU 21 HD13 LEU 21 11.785 -2.995 -7.032 180 1HD2 LEU 21 HD21 LEU 21 8.735 -3.376 -8.124 181 2HD2 LEU 21 HD22 LEU 21 8.903 -4.222 -6.585 182 3HD2 LEU 21 HD23 LEU 21 10.285 -4.088 -7.673 183 H GLU 22 HN GLU 22 12.401 -3.281 -4.780 184 HA GLU 22 HA GLU 22 12.695 -5.347 -6.772 185 1HB GLU 22 HB1 GLU 22 14.271 -3.461 -6.223 186 2HB GLU 22 HB2 GLU 22 14.679 -4.302 -4.728 187 1HG GLU 22 HG2 GLU 22 15.553 -6.195 -5.952 188 2HG GLU 22 HG1 GLU 22 14.965 -5.536 -7.481 189 H GLN 23 HN GLN 23 13.060 -5.323 -3.221 190 HA GLN 23 HA GLN 23 14.048 -7.974 -2.922 191 1HB GLN 23 HB2 GLN 23 12.393 -6.167 -1.137 192 2HB GLN 23 HB1 GLN 23 13.202 -7.630 -0.574 193 1HG GLN 23 HG1 GLN 23 14.573 -5.265 -1.888 194 2HG GLN 23 HG2 GLN 23 14.579 -5.615 -0.161 195 1HE2 GLN 23 HE21 GLN 23 16.541 -5.898 -2.780 196 2HE2 GLN 23 HE22 GLN 23 17.389 -7.312 -2.374 197 H ILE 24 HN ILE 24 10.711 -6.727 -2.935 198 HA ILE 24 HA ILE 24 9.397 -9.132 -2.160 199 HB ILE 24 HB ILE 24 8.545 -6.854 -3.975 200 1HG1 ILE 24 HG11 ILE 24 8.013 -7.295 -1.023 201 2HG1 ILE 24 HG12 ILE 24 9.323 -6.287 -1.641 202 1HG2 ILE 24 HG21 ILE 24 6.527 -8.279 -2.364 203 2HG2 ILE 24 HG22 ILE 24 7.241 -9.247 -3.655 204 3HG2 ILE 24 HG23 ILE 24 6.444 -7.721 -4.034 205 1HD1 ILE 24 HD11 ILE 24 6.740 -5.421 -1.135 206 2HD1 ILE 24 HD12 ILE 24 6.735 -5.682 -2.881 207 3HD1 ILE 24 HD13 ILE 24 7.915 -4.590 -2.155 208 H LYS 25 HN LYS 25 10.188 -7.870 -5.408 209 HA LYS 25 HA LYS 25 9.134 -10.063 -6.924 210 1HB LYS 25 HB2 LYS 25 11.398 -8.087 -7.337 211 2HB LYS 25 HB1 LYS 25 10.817 -9.168 -8.604 212 1HG LYS 25 HG1 LYS 25 8.554 -8.205 -8.384 213 2HG LYS 25 HG2 LYS 25 9.135 -7.125 -7.117 214 1HD LYS 25 HD2 LYS 25 10.744 -6.132 -8.723 215 2HD LYS 25 HD1 LYS 25 10.117 -7.191 -9.987 216 1HE LYS 25 HE1 LYS 25 8.090 -5.586 -8.506 217 2HE LYS 25 HE2 LYS 25 9.160 -4.692 -9.604 218 1HZ LYS 25 HZ1 LYS 25 7.036 -5.880 -10.523 219 2HZ LYS 25 HZ2 LYS 25 8.022 -7.262 -10.473 220 3HZ LYS 25 HZ3 LYS 25 8.483 -5.921 -11.408 221 H ASN 26 HN ASN 26 12.396 -9.428 -5.609 222 HA ASN 26 HA ASN 26 13.677 -11.823 -6.490 223 1HB ASN 26 HB2 ASN 26 14.708 -9.758 -5.498 224 2HB ASN 26 HB1 ASN 26 14.071 -10.240 -3.932 225 1HD2 ASN 26 HD21 ASN 26 15.900 -11.864 -6.609 226 2HD2 ASN 26 HD22 ASN 26 17.002 -12.632 -5.572 227 H GLY 27 HN GLY 27 12.451 -11.088 -3.225 228 1HA GLY 27 HA2 GLY 27 12.377 -14.003 -2.690 229 2HA GLY 27 HA1 GLY 27 12.470 -12.729 -1.474 230 H ALA 28 HN ALA 28 10.361 -11.097 -2.458 231 HA ALA 28 HA ALA 28 7.994 -10.941 -2.586 232 1HB ALA 28 HB1 ALA 28 7.827 -13.928 -2.227 233 2HB ALA 28 HB2 ALA 28 8.328 -13.246 -3.774 234 3HB ALA 28 HB3 ALA 28 6.738 -12.861 -3.114 235 H ASP 29 HN ASP 29 7.674 -9.913 -0.644 236 HA ASP 29 HA ASP 29 6.615 -11.390 1.611 237 1HB ASP 29 HB2 ASP 29 9.498 -10.900 1.327 238 2HB ASP 29 HB1 ASP 29 8.846 -10.348 2.873 239 H PHE 30 HN PHE 30 5.250 -9.426 0.666 240 HA PHE 30 HA PHE 30 5.979 -6.727 1.136 241 1HB PHE 30 HB1 PHE 30 3.575 -8.342 0.618 242 2HB PHE 30 HB2 PHE 30 3.245 -6.842 1.486 243 HD1 PHE 30 HD1 PHE 30 3.739 -4.665 0.492 244 HD2 PHE 30 HD2 PHE 30 4.488 -8.314 -1.657 245 HE1 PHE 30 HE1 PHE 30 3.985 -3.377 -1.611 246 HE2 PHE 30 HE2 PHE 30 4.731 -7.023 -3.762 247 HZ PHE 30 HZ PHE 30 4.479 -4.553 -3.740 248 H GLY 31 HN GLY 31 4.243 -9.014 3.280 249 1HA GLY 31 HA1 GLY 31 3.685 -7.154 5.344 250 2HA GLY 31 HA2 GLY 31 3.821 -8.894 5.587 251 H LYS 32 HN LYS 32 6.516 -9.270 4.881 252 HA LYS 32 HA LYS 32 7.842 -8.589 7.323 253 1HB LYS 32 HB2 LYS 32 8.259 -10.513 5.734 254 2HB LYS 32 HB1 LYS 32 9.043 -9.366 4.649 255 1HG LYS 32 HG1 LYS 32 10.683 -8.809 6.386 256 2HG LYS 32 HG2 LYS 32 9.876 -9.894 7.518 257 1HD LYS 32 HD2 LYS 32 10.308 -11.784 5.929 258 2HD LYS 32 HD1 LYS 32 11.231 -10.674 4.918 259 1HE LYS 32 HE1 LYS 32 12.887 -10.352 6.627 260 2HE LYS 32 HE2 LYS 32 11.872 -11.142 7.849 261 1HZ LYS 32 HZ1 LYS 32 13.717 -12.444 6.432 262 2HZ LYS 32 HZ2 LYS 32 12.378 -12.650 5.407 263 3HZ LYS 32 HZ3 LYS 32 12.310 -13.188 7.017 264 H LEU 33 HN LEU 33 8.001 -7.155 4.055 265 HA LEU 33 HA LEU 33 10.079 -5.250 4.645 266 1HB LEU 33 HB2 LEU 33 7.832 -5.390 2.621 267 2HB LEU 33 HB1 LEU 33 9.075 -4.137 2.589 268 HG LEU 33 HG LEU 33 9.668 -7.110 2.567 269 1HD1 LEU 33 HD11 LEU 33 9.944 -5.237 0.222 270 2HD1 LEU 33 HD12 LEU 33 8.432 -6.092 0.526 271 3HD1 LEU 33 HD13 LEU 33 9.914 -7.000 0.225 272 1HD2 LEU 33 HD21 LEU 33 11.834 -5.869 1.522 273 2HD2 LEU 33 HD22 LEU 33 11.662 -6.208 3.244 274 3HD2 LEU 33 HD23 LEU 33 11.268 -4.607 2.616 275 H ALA 34 HN ALA 34 6.515 -5.073 4.842 276 HA ALA 34 HA ALA 34 6.280 -2.304 5.443 277 1HB ALA 34 HB1 ALA 34 4.520 -4.320 6.774 278 2HB ALA 34 HB2 ALA 34 4.593 -4.349 5.013 279 3HB ALA 34 HB3 ALA 34 4.074 -2.886 5.851 280 H LYS 35 HN LYS 35 6.625 -5.118 7.634 281 HA LYS 35 HA LYS 35 6.468 -3.716 10.092 282 1HB LYS 35 HB1 LYS 35 6.375 -6.163 9.783 283 2HB LYS 35 HB2 LYS 35 8.071 -6.170 9.298 284 1HG LYS 35 HG1 LYS 35 8.687 -5.249 11.524 285 2HG LYS 35 HG2 LYS 35 6.991 -5.317 12.003 286 1HD LYS 35 HD1 LYS 35 6.984 -7.760 11.636 287 2HD LYS 35 HD2 LYS 35 8.680 -7.692 11.153 288 1HE LYS 35 HE1 LYS 35 8.662 -8.339 13.478 289 2HE LYS 35 HE2 LYS 35 9.134 -6.629 13.452 290 1HZ LYS 35 HZ1 LYS 35 7.135 -5.971 14.251 291 2HZ LYS 35 HZ2 LYS 35 7.094 -7.543 14.895 292 3HZ LYS 35 HZ3 LYS 35 6.276 -7.194 13.448 293 H LYS 36 HN LYS 36 9.411 -4.646 8.248 294 HA LYS 36 HA LYS 36 11.177 -3.369 10.146 295 1HB LYS 36 HB2 LYS 36 11.480 -4.461 7.339 296 2HB LYS 36 HB1 LYS 36 12.846 -3.894 8.301 297 1HG LYS 36 HG1 LYS 36 12.266 -5.510 10.077 298 2HG LYS 36 HG2 LYS 36 10.899 -6.077 9.115 299 1HD LYS 36 HD1 LYS 36 12.448 -6.770 7.323 300 2HD LYS 36 HD2 LYS 36 13.815 -6.204 8.282 301 1HE LYS 36 HE2 LYS 36 12.639 -7.818 10.110 302 2HE LYS 36 HE1 LYS 36 12.152 -8.650 8.622 303 1HZ LYS 36 HZ1 LYS 36 14.911 -7.658 8.919 304 2HZ LYS 36 HZ2 LYS 36 14.331 -8.937 7.963 305 3HZ LYS 36 HZ3 LYS 36 14.478 -9.127 9.646 306 H HIS 37 HN HIS 37 10.189 -2.453 6.821 307 HA HIS 37 HA HIS 37 11.804 -0.080 6.765 308 1HB HIS 37 HB1 HIS 37 9.429 -1.077 5.176 309 2HB HIS 37 HB2 HIS 37 10.328 0.377 4.742 310 HD1 HIS 37 HD1 HIS 37 13.188 -0.408 5.154 311 HD2 HIS 37 HD2 HIS 37 10.412 -3.035 3.489 312 HE1 HIS 37 HE1 HIS 37 14.518 -2.116 3.841 313 H SER 38 HN SER 38 8.349 -0.603 7.487 314 HA SER 38 HA SER 38 7.509 2.076 7.378 315 1HB SER 38 HB1 SER 38 6.150 -0.044 7.539 316 2HB SER 38 HB2 SER 38 6.520 -0.079 9.264 317 HG SER 38 HG SER 38 4.902 1.661 7.810 318 H ILE 39 HN ILE 39 8.527 0.246 10.283 319 HA ILE 39 HA ILE 39 8.852 1.046 12.505 320 HB ILE 39 HB ILE 39 10.632 2.697 10.687 321 1HG1 ILE 39 HG12 ILE 39 11.264 0.195 12.270 322 2HG1 ILE 39 HG11 ILE 39 10.714 0.150 10.597 323 1HG2 ILE 39 HG21 ILE 39 12.054 2.478 12.946 324 2HG2 ILE 39 HG22 ILE 39 10.438 2.449 13.652 325 3HG2 ILE 39 HG23 ILE 39 10.946 3.824 12.672 326 1HD1 ILE 39 HD11 ILE 39 13.301 1.159 11.720 327 2HD1 ILE 39 HD12 ILE 39 12.664 1.924 10.264 328 3HD1 ILE 39 HD13 ILE 39 13.012 0.195 10.273 329 H CYS 40 HN CYS 40 6.487 2.219 11.638 330 HA CYS 40 HA CYS 40 6.700 4.985 12.748 331 1HB CYS 40 HB1 CYS 40 5.531 5.865 10.835 332 2HB CYS 40 HB2 CYS 40 6.830 4.851 10.203 333 HG CYS 40 HG CYS 40 4.625 4.162 8.972 334 HA PRO 41 HA PRO 41 3.105 4.203 15.059 335 1HB PRO 41 HB2 PRO 41 1.453 6.325 14.162 336 2HB PRO 41 HB1 PRO 41 2.549 6.351 15.551 337 1HG PRO 41 HG1 PRO 41 2.918 7.434 12.832 338 2HG PRO 41 HG2 PRO 41 3.626 7.958 14.365 339 1HD PRO 41 HD1 PRO 41 5.027 6.630 12.460 340 2HD PRO 41 HD2 PRO 41 5.389 6.499 14.193 341 H SER 42 HN SER 42 2.737 4.699 11.597 342 HA SER 42 HA SER 42 0.224 3.067 11.648 343 1HB SER 42 HB2 SER 42 0.510 4.046 9.096 344 2HB SER 42 HB1 SER 42 -0.401 4.853 10.374 345 HG SER 42 HG SER 42 1.120 6.295 10.562 346 H GLY 43 HN GLY 43 3.241 2.279 11.698 347 1HA GLY 43 HA1 GLY 43 3.484 0.696 9.231 348 2HA GLY 43 HA2 GLY 43 4.570 0.619 10.624 349 H LYS 44 HN LYS 44 2.985 0.006 12.707 350 HA LYS 44 HA LYS 44 2.328 -2.761 12.412 351 1HB LYS 44 HB2 LYS 44 1.540 -0.633 14.423 352 2HB LYS 44 HB1 LYS 44 1.224 -2.354 14.649 353 1HG LYS 44 HG1 LYS 44 3.638 -2.826 14.454 354 2HG LYS 44 HG2 LYS 44 3.958 -1.106 14.226 355 1HD LYS 44 HD1 LYS 44 2.993 -0.636 16.454 356 2HD LYS 44 HD2 LYS 44 2.684 -2.358 16.679 357 1HE LYS 44 HE2 LYS 44 5.293 -2.530 16.101 358 2HE LYS 44 HE1 LYS 44 5.281 -0.877 16.748 359 1HZ LYS 44 HZ1 LYS 44 5.523 -2.687 18.458 360 2HZ LYS 44 HZ2 LYS 44 3.936 -3.164 18.084 361 3HZ LYS 44 HZ3 LYS 44 4.232 -1.619 18.725 362 H ARG 45 HN ARG 45 0.294 0.180 12.291 363 HA ARG 45 HA ARG 45 -2.113 -1.487 11.836 364 1HB ARG 45 HB2 ARG 45 -2.469 0.259 13.367 365 2HB ARG 45 HB1 ARG 45 -1.475 1.392 12.452 366 1HG ARG 45 HG2 ARG 45 -3.790 2.026 12.150 367 2HG ARG 45 HG1 ARG 45 -3.216 1.333 10.634 368 1HD ARG 45 HD1 ARG 45 -5.239 0.185 10.894 369 2HD ARG 45 HD2 ARG 45 -4.140 -0.925 11.733 370 HE ARG 45 HE ARG 45 -4.941 1.030 13.619 371 1HH1 ARG 45 HH11 ARG 45 -6.314 -1.473 11.667 372 2HH1 ARG 45 HH12 ARG 45 -7.602 -1.803 12.775 373 1HH2 ARG 45 HH21 ARG 45 -6.619 0.603 15.066 374 2HH2 ARG 45 HH22 ARG 45 -7.776 -0.632 14.694 375 H GLY 46 HN GLY 46 -0.188 1.000 10.148 376 1HA GLY 46 HA2 GLY 46 -1.819 1.042 7.769 377 2HA GLY 46 HA1 GLY 46 -0.157 1.619 7.879 378 H GLY 47 HN GLY 47 0.747 -1.029 8.936 379 1HA GLY 47 HA2 GLY 47 1.292 -2.324 6.397 380 2HA GLY 47 HA1 GLY 47 1.733 -2.945 7.985 381 H ASP 48 HN ASP 48 -1.434 -2.286 8.319 382 HA ASP 48 HA ASP 48 -2.738 -4.389 6.835 383 1HB ASP 48 HB2 ASP 48 -1.265 -5.728 8.318 384 2HB ASP 48 HB1 ASP 48 -1.963 -4.926 9.726 385 H LEU 49 HN LEU 49 -3.859 -2.150 6.848 386 HA LEU 49 HA LEU 49 -5.094 -1.145 9.231 387 1HB LEU 49 HB1 LEU 49 -5.559 -0.771 6.260 388 2HB LEU 49 HB2 LEU 49 -6.436 0.154 7.478 389 HG LEU 49 HG LEU 49 -3.467 0.037 7.750 390 1HD1 LEU 49 HD11 LEU 49 -3.055 0.854 5.689 391 2HD1 LEU 49 HD12 LEU 49 -4.018 2.270 6.111 392 3HD1 LEU 49 HD13 LEU 49 -4.779 0.891 5.317 393 1HD2 LEU 49 HD21 LEU 49 -3.923 2.465 8.332 394 2HD2 LEU 49 HD22 LEU 49 -4.714 1.289 9.382 395 3HD2 LEU 49 HD23 LEU 49 -5.640 2.112 8.126 396 H GLY 50 HN GLY 50 -6.123 -3.543 6.864 397 1HA GLY 50 HA2 GLY 50 -7.872 -5.166 7.455 398 2HA GLY 50 HA1 GLY 50 -8.628 -3.916 8.445 399 H GLU 51 HN GLU 51 -10.636 -3.908 7.345 400 HA GLU 51 HA GLU 51 -10.530 -3.246 4.425 401 1HB GLU 51 HB2 GLU 51 -11.628 -5.377 5.402 402 2HB GLU 51 HB1 GLU 51 -12.893 -4.294 5.985 403 1HG GLU 51 HG2 GLU 51 -13.259 -3.482 3.680 404 2HG GLU 51 HG1 GLU 51 -11.994 -4.567 3.102 405 H PHE 52 HN PHE 52 -11.327 -1.278 3.791 406 HA PHE 52 HA PHE 52 -13.203 0.170 5.605 407 1HB PHE 52 HB1 PHE 52 -11.823 2.247 4.960 408 2HB PHE 52 HB2 PHE 52 -11.069 1.124 6.092 409 HD1 PHE 52 HD1 PHE 52 -8.849 0.569 5.669 410 HD2 PHE 52 HD2 PHE 52 -11.431 1.515 2.365 411 HE1 PHE 52 HE1 PHE 52 -6.952 0.267 4.102 412 HE2 PHE 52 HE2 PHE 52 -9.537 1.206 0.796 413 HZ PHE 52 HZ PHE 52 -7.296 0.586 1.662 414 H ARG 53 HN ARG 53 -14.424 1.869 4.392 415 HA ARG 53 HA ARG 53 -15.473 0.796 1.958 416 1HB ARG 53 HB2 ARG 53 -15.699 3.540 3.200 417 2HB ARG 53 HB1 ARG 53 -16.799 2.888 1.990 418 1HG ARG 53 HG1 ARG 53 -17.397 1.047 3.527 419 2HG ARG 53 HG2 ARG 53 -16.307 1.713 4.744 420 1HD ARG 53 HD2 ARG 53 -18.582 2.472 5.237 421 2HD ARG 53 HD1 ARG 53 -17.652 3.862 4.644 422 HE ARG 53 HE ARG 53 -18.878 2.416 2.453 423 1HH1 ARG 53 HH11 ARG 53 -19.473 4.640 5.031 424 2HH1 ARG 53 HH12 ARG 53 -20.809 5.402 4.234 425 1HH2 ARG 53 HH21 ARG 53 -20.616 3.404 1.408 426 2HH2 ARG 53 HH22 ARG 53 -21.455 4.704 2.187 427 H GLN 54 HN GLN 54 -12.923 0.946 1.215 428 HA GLN 54 HA GLN 54 -11.311 2.049 -0.213 429 1HB GLN 54 HB2 GLN 54 -12.288 1.814 -2.413 430 2HB GLN 54 HB1 GLN 54 -12.989 0.569 -1.378 431 1HG GLN 54 HG2 GLN 54 -14.963 2.003 -0.992 432 2HG GLN 54 HG1 GLN 54 -14.261 3.247 -2.027 433 1HE2 GLN 54 HE21 GLN 54 -15.360 3.191 -3.994 434 2HE2 GLN 54 HE22 GLN 54 -15.763 1.778 -4.845 435 H GLY 55 HN GLY 55 -12.440 4.131 1.487 436 1HA GLY 55 HA2 GLY 55 -11.818 6.438 -0.096 437 2HA GLY 55 HA1 GLY 55 -13.568 6.308 0.081 438 H GLN 56 HN GLN 56 -10.798 5.735 2.289 439 HA GLN 56 HA GLN 56 -11.706 7.932 4.027 440 1HB GLN 56 HB2 GLN 56 -11.562 5.893 5.889 441 2HB GLN 56 HB1 GLN 56 -13.053 6.567 5.248 442 1HG GLN 56 HG1 GLN 56 -12.847 4.804 3.373 443 2HG GLN 56 HG2 GLN 56 -11.633 4.034 4.399 444 1HE2 GLN 56 HE21 GLN 56 -15.046 5.149 4.394 445 2HE2 GLN 56 HE22 GLN 56 -15.571 4.052 5.587 446 H MET 57 HN MET 57 -9.744 4.945 4.342 447 HA MET 57 HA MET 57 -7.794 6.082 6.031 448 1HB MET 57 HB2 MET 57 -8.156 3.680 5.645 449 2HB MET 57 HB1 MET 57 -7.565 3.847 3.992 450 1HG MET 57 HG2 MET 57 -5.797 2.996 5.507 451 2HG MET 57 HG1 MET 57 -5.370 4.572 4.838 452 1HE MET 57 HE1 MET 57 -7.151 3.634 8.905 453 2HE MET 57 HE2 MET 57 -7.566 3.000 7.314 454 3HE MET 57 HE3 MET 57 -8.200 4.563 7.825 455 H VAL 58 HN VAL 58 -7.807 5.860 2.460 456 HA VAL 58 HA VAL 58 -5.973 8.148 2.294 457 HB VAL 58 HB VAL 58 -4.560 6.152 2.846 458 1HG1 VAL 58 HG21 VAL 58 -6.055 4.536 1.616 459 2HG1 VAL 58 HG22 VAL 58 -4.342 4.355 1.243 460 3HG1 VAL 58 HG23 VAL 58 -5.410 5.178 0.107 461 1HG2 VAL 58 HG11 VAL 58 -2.937 7.170 1.662 462 2HG2 VAL 58 HG12 VAL 58 -4.188 8.082 0.820 463 3HG2 VAL 58 HG13 VAL 58 -3.604 6.559 0.148 464 HA PRO 59 HA PRO 59 -8.421 8.495 -1.411 465 1HB PRO 59 HB2 PRO 59 -6.745 10.390 -2.597 466 2HB PRO 59 HB1 PRO 59 -8.075 10.759 -1.485 467 1HG PRO 59 HG1 PRO 59 -5.154 10.585 -0.965 468 2HG PRO 59 HG2 PRO 59 -6.368 11.658 -0.252 469 1HD PRO 59 HD2 PRO 59 -5.350 9.522 1.062 470 2HD PRO 59 HD1 PRO 59 -7.014 10.095 1.311 471 H ALA 60 HN ALA 60 -4.856 8.528 -1.716 472 HA ALA 60 HA ALA 60 -4.426 7.721 -4.304 473 1HB ALA 60 HB1 ALA 60 -2.882 6.083 -2.460 474 2HB ALA 60 HB2 ALA 60 -3.053 7.729 -1.850 475 3HB ALA 60 HB3 ALA 60 -2.350 7.447 -3.443 476 H PHE 61 HN PHE 61 -5.659 5.678 -1.673 477 HA PHE 61 HA PHE 61 -5.434 3.147 -2.952 478 1HB PHE 61 HB2 PHE 61 -5.987 3.504 -0.573 479 2HB PHE 61 HB1 PHE 61 -7.538 4.208 -1.037 480 HD1 PHE 61 HD1 PHE 61 -5.543 1.115 -0.867 481 HD2 PHE 61 HD2 PHE 61 -9.347 2.817 -1.919 482 HE1 PHE 61 HE1 PHE 61 -6.521 -1.160 -1.003 483 HE2 PHE 61 HE2 PHE 61 -10.328 0.540 -2.054 484 HZ PHE 61 HZ PHE 61 -8.911 -1.447 -1.600 485 H ASP 62 HN ASP 62 -7.995 5.616 -3.112 486 HA ASP 62 HA ASP 62 -9.893 4.151 -4.660 487 1HB ASP 62 HB1 ASP 62 -10.280 6.310 -3.499 488 2HB ASP 62 HB2 ASP 62 -9.196 7.108 -4.639 489 H LYS 63 HN LYS 63 -7.102 6.129 -5.603 490 HA LYS 63 HA LYS 63 -7.400 6.053 -8.433 491 1HB LYS 63 HB1 LYS 63 -5.804 7.436 -7.155 492 2HB LYS 63 HB2 LYS 63 -4.937 5.982 -6.659 493 1HG LYS 63 HG1 LYS 63 -4.425 5.480 -9.022 494 2HG LYS 63 HG2 LYS 63 -5.292 6.934 -9.518 495 1HD LYS 63 HD2 LYS 63 -3.725 8.317 -8.200 496 2HD LYS 63 HD1 LYS 63 -2.858 6.863 -7.705 497 1HE LYS 63 HE1 LYS 63 -2.262 6.387 -10.040 498 2HE LYS 63 HE2 LYS 63 -3.195 7.796 -10.582 499 1HZ LYS 63 HZ1 LYS 63 -0.675 8.067 -10.093 500 2HZ LYS 63 HZ2 LYS 63 -1.159 8.083 -8.465 501 3HZ LYS 63 HZ3 LYS 63 -1.753 9.256 -9.542 502 H VAL 64 HN VAL 64 -5.897 3.724 -6.180 503 HA VAL 64 HA VAL 64 -5.074 2.009 -8.430 504 HB VAL 64 HB VAL 64 -3.616 2.477 -6.478 505 1HG1 VAL 64 HG21 VAL 64 -5.365 2.644 -4.752 506 2HG1 VAL 64 HG22 VAL 64 -4.174 1.430 -4.299 507 3HG1 VAL 64 HG23 VAL 64 -5.734 0.932 -4.947 508 1HG2 VAL 64 HG11 VAL 64 -4.499 -0.421 -6.603 509 2HG2 VAL 64 HG12 VAL 64 -2.926 0.171 -6.073 510 3HG2 VAL 64 HG13 VAL 64 -3.410 0.344 -7.759 511 H VAL 65 HN VAL 65 -7.350 1.731 -5.652 512 HA VAL 65 HA VAL 65 -8.104 -0.959 -6.023 513 HB VAL 65 HB VAL 65 -8.801 0.846 -4.274 514 1HG1 VAL 65 HG21 VAL 65 -9.850 2.398 -5.875 515 2HG1 VAL 65 HG22 VAL 65 -11.031 1.825 -4.699 516 3HG1 VAL 65 HG23 VAL 65 -11.013 1.154 -6.329 517 1HG2 VAL 65 HG11 VAL 65 -10.137 -1.557 -5.272 518 2HG2 VAL 65 HG12 VAL 65 -11.243 -0.474 -4.425 519 3HG2 VAL 65 HG13 VAL 65 -9.798 -1.073 -3.610 520 H PHE 66 HN PHE 66 -8.862 1.854 -7.973 521 HA PHE 66 HA PHE 66 -10.724 0.252 -9.675 522 1HB PHE 66 HB1 PHE 66 -10.334 3.051 -8.917 523 2HB PHE 66 HB2 PHE 66 -10.499 2.854 -10.663 524 HD1 PHE 66 HD1 PHE 66 -12.701 3.641 -11.073 525 HD2 PHE 66 HD2 PHE 66 -12.000 0.749 -7.970 526 HE1 PHE 66 HE1 PHE 66 -15.149 3.334 -10.808 527 HE2 PHE 66 HE2 PHE 66 -14.450 0.441 -7.705 528 HZ PHE 66 HZ PHE 66 -16.023 1.734 -9.124 529 H SER 67 HN SER 67 -7.503 0.639 -9.407 530 HA SER 67 HA SER 67 -6.920 0.997 -12.289 531 1HB SER 67 HB1 SER 67 -5.693 2.308 -10.592 532 2HB SER 67 HB2 SER 67 -5.136 0.812 -9.848 533 HG SER 67 HG SER 67 -4.671 1.519 -12.548 534 H CYS 68 HN CYS 68 -5.198 -1.024 -9.926 535 HA CYS 68 HA CYS 68 -4.987 -3.225 -11.837 536 1HB CYS 68 HB2 CYS 68 -4.227 -2.863 -8.919 537 2HB CYS 68 HB1 CYS 68 -3.757 -4.252 -9.904 538 HG CYS 68 HG CYS 68 -2.947 -1.625 -11.215 539 HA PRO 69 HA PRO 69 -8.482 -5.488 -10.410 540 1HB PRO 69 HB1 PRO 69 -7.676 -8.025 -11.051 541 2HB PRO 69 HB2 PRO 69 -8.211 -6.834 -12.249 542 1HG PRO 69 HG2 PRO 69 -5.486 -7.771 -11.597 543 2HG PRO 69 HG1 PRO 69 -6.136 -7.162 -13.122 544 1HD PRO 69 HD2 PRO 69 -4.535 -5.742 -11.315 545 2HD PRO 69 HD1 PRO 69 -5.463 -5.053 -12.660 546 H VAL 70 HN VAL 70 -7.560 -4.843 -8.162 547 HA VAL 70 HA VAL 70 -6.688 -5.397 -6.012 548 HB VAL 70 HB VAL 70 -9.164 -5.786 -6.338 549 1HG1 VAL 70 HG11 VAL 70 -9.978 -7.732 -7.080 550 2HG1 VAL 70 HG12 VAL 70 -9.039 -8.646 -5.903 551 3HG1 VAL 70 HG13 VAL 70 -8.327 -8.203 -7.449 552 1HG2 VAL 70 HG21 VAL 70 -7.599 -6.201 -4.145 553 2HG2 VAL 70 HG22 VAL 70 -8.447 -7.743 -4.258 554 3HG2 VAL 70 HG23 VAL 70 -9.361 -6.240 -4.130 555 H LEU 71 HN LEU 71 -6.364 -7.576 -4.549 556 HA LEU 71 HA LEU 71 -4.367 -8.622 -3.999 557 1HB LEU 71 HB2 LEU 71 -4.380 -10.957 -4.763 558 2HB LEU 71 HB1 LEU 71 -5.972 -10.415 -4.271 559 HG LEU 71 HG LEU 71 -6.027 -11.815 -6.297 560 1HD1 LEU 71 HD21 LEU 71 -6.868 -9.336 -7.535 561 2HD1 LEU 71 HD22 LEU 71 -7.374 -9.446 -5.848 562 3HD1 LEU 71 HD23 LEU 71 -7.831 -10.707 -6.989 563 1HD2 LEU 71 HD11 LEU 71 -4.629 -9.560 -7.734 564 2HD2 LEU 71 HD12 LEU 71 -5.127 -11.111 -8.393 565 3HD2 LEU 71 HD13 LEU 71 -3.820 -11.039 -7.216 566 H GLU 72 HN GLU 72 -3.734 -6.652 -5.880 567 HA GLU 72 HA GLU 72 -1.314 -7.968 -7.025 568 1HB GLU 72 HB1 GLU 72 -3.097 -7.475 -8.772 569 2HB GLU 72 HB2 GLU 72 -2.874 -5.764 -8.406 570 1HG GLU 72 HG2 GLU 72 -0.748 -5.705 -9.324 571 2HG GLU 72 HG1 GLU 72 -0.444 -7.410 -8.989 572 HA PRO 73 HA PRO 73 -0.018 -4.865 -3.988 573 1HB PRO 73 HB2 PRO 73 2.607 -5.784 -5.075 574 2HB PRO 73 HB1 PRO 73 2.088 -5.602 -3.390 575 1HG PRO 73 HG1 PRO 73 2.273 -7.999 -4.594 576 2HG PRO 73 HG2 PRO 73 1.066 -7.648 -3.348 577 1HD PRO 73 HD1 PRO 73 0.714 -8.012 -6.258 578 2HD PRO 73 HD2 PRO 73 -0.453 -8.234 -4.939 579 H THR 74 HN THR 74 -0.524 -2.903 -4.972 580 HA THR 74 HA THR 74 0.911 -2.112 -7.455 581 HB THR 74 HB THR 74 -1.358 -0.822 -5.912 582 HG1 THR 74 HG1 THR 74 -1.579 -2.310 -8.289 583 1HG2 THR 74 HG21 THR 74 0.214 -0.010 -8.192 584 2HG2 THR 74 HG22 THR 74 -1.072 0.869 -7.365 585 3HG2 THR 74 HG23 THR 74 -1.466 -0.248 -8.671 586 H GLY 75 HN GLY 75 2.492 -0.540 -7.428 587 1HA GLY 75 HA1 GLY 75 2.907 1.775 -6.353 588 2HA GLY 75 HA2 GLY 75 2.982 0.872 -4.843 589 HA PRO 76 HA PRO 76 4.397 2.015 -3.883 590 1HB PRO 76 HB1 PRO 76 6.336 3.953 -3.848 591 2HB PRO 76 HB2 PRO 76 6.521 2.380 -3.051 592 1HG PRO 76 HG2 PRO 76 7.576 3.314 -5.680 593 2HG PRO 76 HG1 PRO 76 8.356 2.314 -4.445 594 1HD PRO 76 HD1 PRO 76 7.262 1.294 -6.717 595 2HD PRO 76 HD2 PRO 76 7.360 0.389 -5.191 596 H LEU 77 HN LEU 77 2.782 3.485 -4.258 597 HA LEU 77 HA LEU 77 2.726 4.882 -6.865 598 1HB LEU 77 HB2 LEU 77 0.833 3.520 -6.072 599 2HB LEU 77 HB1 LEU 77 0.693 4.537 -4.639 600 HG LEU 77 HG LEU 77 0.254 6.498 -6.089 601 1HD1 LEU 77 HD11 LEU 77 1.136 4.619 -8.125 602 2HD1 LEU 77 HD12 LEU 77 0.953 6.371 -8.229 603 3HD1 LEU 77 HD13 LEU 77 -0.429 5.320 -8.539 604 1HD2 LEU 77 HD21 LEU 77 -1.947 5.997 -6.031 605 2HD2 LEU 77 HD22 LEU 77 -1.469 4.382 -5.507 606 3HD2 LEU 77 HD23 LEU 77 -1.753 4.707 -7.218 607 H HIS 78 HN HIS 78 2.214 7.162 -7.013 608 HA HIS 78 HA HIS 78 3.620 8.837 -5.117 609 1HB HIS 78 HB1 HIS 78 3.344 9.195 -7.588 610 2HB HIS 78 HB2 HIS 78 1.638 9.546 -7.304 611 HD1 HIS 78 HD1 HIS 78 4.931 11.119 -7.350 612 HD2 HIS 78 HD2 HIS 78 1.279 11.887 -5.491 613 HE1 HIS 78 HE1 HIS 78 5.020 13.525 -6.565 614 H THR 79 HN THR 79 2.803 9.600 -3.214 615 HA THR 79 HA THR 79 -0.080 10.331 -3.087 616 HB THR 79 HB THR 79 0.266 8.035 -2.133 617 HG1 THR 79 HG1 THR 79 -1.350 9.354 -1.280 618 1HG2 THR 79 HG21 THR 79 2.431 7.988 -1.262 619 2HG2 THR 79 HG22 THR 79 1.462 8.162 0.200 620 3HG2 THR 79 HG23 THR 79 2.264 9.567 -0.497 621 H GLN 80 HN GLN 80 -0.475 11.987 -1.448 622 HA GLN 80 HA GLN 80 1.502 14.002 -1.353 623 1HB GLN 80 HB1 GLN 80 -0.976 13.454 0.300 624 2HB GLN 80 HB2 GLN 80 -0.068 14.962 0.407 625 1HG GLN 80 HG2 GLN 80 -0.391 15.324 -2.015 626 2HG GLN 80 HG1 GLN 80 -1.295 13.814 -2.120 627 1HE2 GLN 80 HE21 GLN 80 -2.370 14.624 0.760 628 2HE2 GLN 80 HE22 GLN 80 -3.633 15.692 0.384 629 H PHE 81 HN PHE 81 0.824 11.409 0.972 630 HA PHE 81 HA PHE 81 2.463 12.526 3.098 631 1HB PHE 81 HB2 PHE 81 1.307 9.792 2.483 632 2HB PHE 81 HB1 PHE 81 2.150 10.165 3.986 633 HD1 PHE 81 HD1 PHE 81 -0.969 10.370 2.190 634 HD2 PHE 81 HD2 PHE 81 1.279 12.103 5.419 635 HE1 PHE 81 HE1 PHE 81 -3.053 11.349 3.116 636 HE2 PHE 81 HE2 PHE 81 -0.806 13.083 6.344 637 HZ PHE 81 HZ PHE 81 -2.971 12.705 5.193 638 H GLY 82 HN GLY 82 3.221 11.034 0.150 639 1HA GLY 82 HA2 GLY 82 5.857 11.004 -0.073 640 2HA GLY 82 HA1 GLY 82 5.701 9.780 1.190 641 H TYR 83 HN TYR 83 6.063 7.845 0.159 642 HA TYR 83 HA TYR 83 4.576 7.328 -2.393 643 1HB TYR 83 HB1 TYR 83 7.003 6.021 -1.120 644 2HB TYR 83 HB2 TYR 83 6.265 5.492 -2.635 645 HD1 TYR 83 HD1 TYR 83 6.350 6.915 -4.647 646 HD2 TYR 83 HD2 TYR 83 8.266 8.092 -0.982 647 HE1 TYR 83 HE1 TYR 83 7.634 8.649 -5.874 648 HE2 TYR 83 HE2 TYR 83 9.549 9.826 -2.210 649 HH TYR 83 HH TYR 83 10.271 9.971 -4.963 650 H HIS 84 HN HIS 84 2.823 5.999 -2.198 651 HA HIS 84 HA HIS 84 2.624 4.235 0.220 652 1HB HIS 84 HB2 HIS 84 0.604 5.520 -1.630 653 2HB HIS 84 HB1 HIS 84 0.162 4.176 -0.583 654 HD1 HIS 84 HD1 HIS 84 -1.110 6.924 -0.101 655 HD2 HIS 84 HD2 HIS 84 2.376 5.653 1.801 656 HE1 HIS 84 HE1 HIS 84 -0.917 8.287 2.023 657 H ILE 85 HN ILE 85 2.963 2.087 -0.164 658 HA ILE 85 HA ILE 85 2.264 1.055 -2.897 659 HB ILE 85 HB ILE 85 4.665 0.820 -1.969 660 1HG1 ILE 85 HG12 ILE 85 3.433 -1.859 -2.543 661 2HG1 ILE 85 HG11 ILE 85 3.389 -0.604 -3.776 662 1HG2 ILE 85 HG21 ILE 85 5.071 -0.487 -0.138 663 2HG2 ILE 85 HG22 ILE 85 3.746 -1.591 -0.509 664 3HG2 ILE 85 HG23 ILE 85 3.415 -0.049 0.281 665 1HD1 ILE 85 HD11 ILE 85 5.929 -1.455 -2.363 666 2HD1 ILE 85 HD12 ILE 85 5.791 -0.419 -3.784 667 3HD1 ILE 85 HD13 ILE 85 5.402 -2.136 -3.902 668 H ILE 86 HN ILE 86 0.417 -0.113 -2.929 669 HA ILE 86 HA ILE 86 -0.759 -0.871 -0.288 670 HB ILE 86 HB ILE 86 -1.978 0.014 -2.918 671 1HG1 ILE 86 HG11 ILE 86 -1.764 1.504 -0.289 672 2HG1 ILE 86 HG12 ILE 86 -0.625 1.714 -1.619 673 1HG2 ILE 86 HG21 ILE 86 -3.227 -0.449 -0.193 674 2HG2 ILE 86 HG22 ILE 86 -3.493 -1.433 -1.633 675 3HG2 ILE 86 HG23 ILE 86 -4.056 0.238 -1.589 676 1HD1 ILE 86 HD11 ILE 86 -3.490 1.895 -2.355 677 2HD1 ILE 86 HD12 ILE 86 -2.126 2.876 -2.893 678 3HD1 ILE 86 HD13 ILE 86 -2.885 3.200 -1.334 679 H LYS 87 HN LYS 87 -1.378 -2.947 0.038 680 HA LYS 87 HA LYS 87 -1.580 -4.847 -2.262 681 1HB LYS 87 HB2 LYS 87 -1.936 -5.394 0.695 682 2HB LYS 87 HB1 LYS 87 -1.507 -6.541 -0.573 683 1HG LYS 87 HG2 LYS 87 0.533 -4.810 -0.858 684 2HG LYS 87 HG1 LYS 87 0.197 -4.564 0.855 685 1HD LYS 87 HD2 LYS 87 0.457 -7.339 -0.301 686 2HD LYS 87 HD1 LYS 87 1.872 -6.431 0.226 687 1HE LYS 87 HE1 LYS 87 -0.510 -6.735 2.053 688 2HE LYS 87 HE2 LYS 87 0.736 -7.992 1.968 689 1HZ LYS 87 HZ1 LYS 87 2.101 -6.708 3.149 690 2HZ LYS 87 HZ2 LYS 87 0.868 -5.555 3.324 691 3HZ LYS 87 HZ3 LYS 87 1.961 -5.443 2.028 692 H VAL 88 HN VAL 88 -3.642 -5.201 -3.076 693 HA VAL 88 HA VAL 88 -5.944 -4.161 -1.468 694 HB VAL 88 HB VAL 88 -5.582 -4.697 -4.435 695 1HG1 VAL 88 HG11 VAL 88 -7.713 -2.892 -3.456 696 2HG1 VAL 88 HG12 VAL 88 -7.948 -4.599 -3.081 697 3HG1 VAL 88 HG13 VAL 88 -7.755 -4.082 -4.756 698 1HG2 VAL 88 HG21 VAL 88 -5.840 -1.996 -3.131 699 2HG2 VAL 88 HG22 VAL 88 -5.149 -2.406 -4.702 700 3HG2 VAL 88 HG23 VAL 88 -4.268 -2.791 -3.223 701 H LEU 89 HN LEU 89 -7.459 -5.627 -0.743 702 HA LEU 89 HA LEU 89 -7.654 -8.285 -2.075 703 1HB LEU 89 HB2 LEU 89 -7.386 -7.693 0.894 704 2HB LEU 89 HB1 LEU 89 -7.575 -9.295 0.182 705 HG LEU 89 HG LEU 89 -5.281 -7.391 -0.389 706 1HD1 LEU 89 HD11 LEU 89 -4.245 -9.662 0.778 707 2HD1 LEU 89 HD12 LEU 89 -5.748 -9.440 1.673 708 3HD1 LEU 89 HD13 LEU 89 -4.550 -8.147 1.625 709 1HD2 LEU 89 HD21 LEU 89 -4.829 -8.741 -2.135 710 2HD2 LEU 89 HD22 LEU 89 -6.302 -9.653 -1.802 711 3HD2 LEU 89 HD23 LEU 89 -4.779 -10.135 -1.054 712 H TYR 90 HN TYR 90 -9.429 -9.258 -0.069 713 HA TYR 90 HA TYR 90 -11.806 -9.466 0.003 714 1HB TYR 90 HB2 TYR 90 -10.985 -6.826 1.229 715 2HB TYR 90 HB1 TYR 90 -12.628 -7.460 1.385 716 HD1 TYR 90 HD1 TYR 90 -13.099 -8.780 3.240 717 HD2 TYR 90 HD2 TYR 90 -9.079 -8.653 1.721 718 HE1 TYR 90 HE1 TYR 90 -12.353 -10.258 5.090 719 HE2 TYR 90 HE2 TYR 90 -8.333 -10.129 3.570 720 HH TYR 90 HH TYR 90 -10.661 -11.439 5.929 721 H ARG 91 HN ARG 91 -12.002 -5.961 -0.343 722 HA ARG 91 HA ARG 91 -13.049 -4.632 -1.990 723 1HB ARG 91 HB1 ARG 91 -11.126 -5.724 -3.198 724 2HB ARG 91 HB2 ARG 91 -12.250 -6.958 -3.760 725 1HG ARG 91 HG1 ARG 91 -12.094 -5.290 -5.494 726 2HG ARG 91 HG2 ARG 91 -13.668 -5.099 -4.721 727 1HD ARG 91 HD1 ARG 91 -12.817 -3.234 -3.372 728 2HD ARG 91 HD2 ARG 91 -11.193 -3.459 -4.053 729 HE ARG 91 HE ARG 91 -13.449 -2.207 -5.412 730 1HH1 ARG 91 HH11 ARG 91 -10.599 -4.131 -5.772 731 2HH1 ARG 91 HH12 ARG 91 -10.329 -3.651 -7.414 732 1HH2 ARG 91 HH21 ARG 91 -13.104 -1.580 -7.552 733 2HH2 ARG 91 HH22 ARG 91 -11.744 -2.211 -8.420 734 H ASN 92 HN ASN 92 -14.833 -6.199 -0.505 735 HA ASN 92 HA ASN 92 -16.807 -7.063 -2.596 736 1HB ASN 92 HB1 ASN 92 -17.483 -8.798 -1.108 737 2HB ASN 92 HB2 ASN 92 -15.723 -8.791 -1.016 738 1HD2 ASN 92 HD21 ASN 92 -14.747 -7.667 0.904 739 2HD2 ASN 92 HD22 ASN 92 -15.647 -7.532 2.337 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 -14.144 1.482 -2.751 2 2H ALA 1 HT2 ALA 1 -13.933 0.673 -4.229 3 3H ALA 1 HT3 ALA 1 -13.366 -0.024 -2.786 4 HA ALA 1 HA ALA 1 -16.121 0.154 -3.807 5 1HB ALA 1 HB1 ALA 1 -15.956 -2.140 -3.570 6 2HB ALA 1 HB2 ALA 1 -14.938 -2.019 -2.135 7 3HB ALA 1 HB3 ALA 1 -14.241 -1.768 -3.735 8 H LYS 2 HN LYS 2 -17.626 -0.910 -1.963 9 HA LYS 2 HA LYS 2 -18.007 1.028 0.090 10 1HB LYS 2 HB2 LYS 2 -18.832 -1.871 -0.248 11 2HB LYS 2 HB1 LYS 2 -19.477 -0.829 1.022 12 1HG LYS 2 HG1 LYS 2 -20.265 0.747 -0.678 13 2HG LYS 2 HG2 LYS 2 -19.632 -0.285 -1.952 14 1HD LYS 2 HD2 LYS 2 -21.120 -2.112 -1.209 15 2HD LYS 2 HD1 LYS 2 -21.763 -1.070 0.059 16 1HE LYS 2 HE1 LYS 2 -21.867 0.237 -2.552 17 2HE LYS 2 HE2 LYS 2 -22.778 -1.285 -2.533 18 1HZ LYS 2 HZ1 LYS 2 -23.004 0.987 -0.632 19 2HZ LYS 2 HZ2 LYS 2 -23.696 -0.537 -0.344 20 3HZ LYS 2 HZ3 LYS 2 -24.206 0.394 -1.670 21 H THR 3 HN THR 3 -16.740 -2.268 0.297 22 HA THR 3 HA THR 3 -15.083 -1.457 2.662 23 HB THR 3 HB THR 3 -16.790 -3.941 2.283 24 HG1 THR 3 HG1 THR 3 -18.164 -2.586 3.118 25 1HG2 THR 3 HG21 THR 3 -14.406 -3.601 3.779 26 2HG2 THR 3 HG22 THR 3 -15.524 -4.964 3.830 27 3HG2 THR 3 HG23 THR 3 -15.736 -3.607 4.936 28 H ALA 4 HN ALA 4 -12.944 -2.190 2.484 29 HA ALA 4 HA ALA 4 -12.387 -4.476 0.658 30 1HB ALA 4 HB1 ALA 4 -11.474 -1.615 0.294 31 2HB ALA 4 HB2 ALA 4 -12.365 -2.620 -0.850 32 3HB ALA 4 HB3 ALA 4 -10.671 -2.969 -0.503 33 H ALA 5 HN ALA 5 -10.172 -5.286 0.870 34 HA ALA 5 HA ALA 5 -8.935 -4.593 3.506 35 1HB ALA 5 HB1 ALA 5 -9.485 -6.927 3.218 36 2HB ALA 5 HB2 ALA 5 -7.738 -6.797 3.030 37 3HB ALA 5 HB3 ALA 5 -8.769 -6.954 1.608 38 H ALA 6 HN ALA 6 -6.872 -3.663 3.517 39 HA ALA 6 HA ALA 6 -5.305 -3.668 0.988 40 1HB ALA 6 HB1 ALA 6 -7.030 -1.768 1.132 41 2HB ALA 6 HB2 ALA 6 -5.366 -1.302 0.784 42 3HB ALA 6 HB3 ALA 6 -6.016 -1.100 2.411 43 H LEU 7 HN LEU 7 -3.188 -3.875 1.444 44 HA LEU 7 HA LEU 7 -2.170 -3.104 4.155 45 1HB LEU 7 HB1 LEU 7 -0.978 -4.764 1.908 46 2HB LEU 7 HB2 LEU 7 -0.210 -4.473 3.464 47 HG LEU 7 HG LEU 7 -2.852 -5.890 2.996 48 1HD1 LEU 7 HD11 LEU 7 -0.292 -6.966 4.199 49 2HD1 LEU 7 HD12 LEU 7 -0.676 -7.118 2.484 50 3HD1 LEU 7 HD13 LEU 7 -1.713 -7.878 3.691 51 1HD2 LEU 7 HD21 LEU 7 -2.343 -6.369 5.567 52 2HD2 LEU 7 HD22 LEU 7 -3.219 -4.924 5.065 53 3HD2 LEU 7 HD23 LEU 7 -1.500 -4.826 5.442 54 H HIS 8 HN HIS 8 -0.814 -1.308 4.263 55 HA HIS 8 HA HIS 8 0.050 -0.107 1.648 56 1HB HIS 8 HB1 HIS 8 -1.131 1.252 4.102 57 2HB HIS 8 HB2 HIS 8 -0.530 2.092 2.672 58 HD1 HIS 8 HD1 HIS 8 -3.585 2.018 3.676 59 HD2 HIS 8 HD2 HIS 8 -1.950 -0.194 0.551 60 HE1 HIS 8 HE1 HIS 8 -5.512 1.402 2.152 61 H ILE 9 HN ILE 9 2.176 0.373 1.578 62 HA ILE 9 HA ILE 9 3.613 0.840 4.171 63 HB ILE 9 HB ILE 9 4.653 -0.196 1.516 64 1HG1 ILE 9 HG11 ILE 9 4.378 -1.607 4.185 65 2HG1 ILE 9 HG12 ILE 9 3.257 -1.804 2.839 66 1HG2 ILE 9 HG21 ILE 9 6.763 0.066 2.302 67 2HG2 ILE 9 HG22 ILE 9 6.315 -0.440 3.931 68 3HG2 ILE 9 HG23 ILE 9 6.042 1.227 3.416 69 1HD1 ILE 9 HD11 ILE 9 4.753 -3.599 2.549 70 2HD1 ILE 9 HD12 ILE 9 6.152 -2.624 3.005 71 3HD1 ILE 9 HD13 ILE 9 5.373 -2.373 1.442 72 H LEU 10 HN LEU 10 4.363 2.916 4.371 73 HA LEU 10 HA LEU 10 4.293 4.665 1.949 74 1HB LEU 10 HB2 LEU 10 2.839 5.339 3.768 75 2HB LEU 10 HB1 LEU 10 4.149 5.178 4.936 76 HG LEU 10 HG LEU 10 3.559 7.561 4.092 77 1HD1 LEU 10 HD11 LEU 10 5.698 8.217 4.649 78 2HD1 LEU 10 HD12 LEU 10 6.453 6.993 3.628 79 3HD1 LEU 10 HD13 LEU 10 5.775 6.541 5.193 80 1HD2 LEU 10 HD21 LEU 10 4.435 8.242 1.990 81 2HD2 LEU 10 HD22 LEU 10 3.565 6.744 1.660 82 3HD2 LEU 10 HD23 LEU 10 5.322 6.731 1.785 83 H VAL 11 HN VAL 11 6.292 4.921 1.065 84 HA VAL 11 HA VAL 11 8.698 4.901 2.841 85 HB VAL 11 HB VAL 11 8.718 5.007 -0.172 86 1HG1 VAL 11 HG21 VAL 11 10.770 5.127 1.417 87 2HG1 VAL 11 HG22 VAL 11 10.836 4.015 0.051 88 3HG1 VAL 11 HG23 VAL 11 10.483 3.406 1.667 89 1HG2 VAL 11 HG11 VAL 11 7.739 2.799 1.558 90 2HG2 VAL 11 HG12 VAL 11 8.903 2.345 0.311 91 3HG2 VAL 11 HG13 VAL 11 7.393 3.138 -0.139 92 H LYS 12 HN LYS 12 9.677 6.828 3.294 93 HA LYS 12 HA LYS 12 8.637 9.353 2.374 94 1HB LYS 12 HB1 LYS 12 9.756 8.966 4.537 95 2HB LYS 12 HB2 LYS 12 11.258 8.577 3.698 96 1HG LYS 12 HG2 LYS 12 11.302 10.849 2.728 97 2HG LYS 12 HG1 LYS 12 9.801 11.237 3.567 98 1HD LYS 12 HD2 LYS 12 10.874 10.926 5.729 99 2HD LYS 12 HD1 LYS 12 12.356 10.370 4.952 100 1HE LYS 12 HE1 LYS 12 12.515 12.617 3.810 101 2HE LYS 12 HE2 LYS 12 11.150 13.154 4.806 102 1HZ LYS 12 HZ1 LYS 12 12.893 13.661 6.189 103 2HZ LYS 12 HZ2 LYS 12 13.870 12.394 5.620 104 3HZ LYS 12 HZ3 LYS 12 12.592 12.070 6.691 105 H GLU 13 HN GLU 13 11.497 7.424 1.459 106 HA GLU 13 HA GLU 13 12.171 9.480 -0.599 107 1HB GLU 13 HB1 GLU 13 13.678 7.308 0.863 108 2HB GLU 13 HB2 GLU 13 14.378 8.164 -0.511 109 1HG GLU 13 HG1 GLU 13 14.091 10.299 0.630 110 2HG GLU 13 HG2 GLU 13 13.279 9.503 1.977 111 H GLU 14 HN GLU 14 12.233 8.958 -2.756 112 HA GLU 14 HA GLU 14 10.905 6.661 -3.825 113 1HB GLU 14 HB2 GLU 14 11.245 8.818 -4.981 114 2HB GLU 14 HB1 GLU 14 12.985 8.530 -5.010 115 1HG GLU 14 HG1 GLU 14 12.629 6.496 -6.363 116 2HG GLU 14 HG2 GLU 14 10.888 6.785 -6.332 117 H LYS 15 HN LYS 15 14.364 7.377 -3.293 118 HA LYS 15 HA LYS 15 15.515 5.123 -4.557 119 1HB LYS 15 HB1 LYS 15 16.272 6.625 -2.027 120 2HB LYS 15 HB2 LYS 15 17.358 5.548 -2.903 121 1HG LYS 15 HG2 LYS 15 17.139 6.963 -4.915 122 2HG LYS 15 HG1 LYS 15 16.053 8.042 -4.038 123 1HD LYS 15 HD2 LYS 15 17.846 8.514 -2.404 124 2HD LYS 15 HD1 LYS 15 18.931 7.441 -3.286 125 1HE LYS 15 HE1 LYS 15 18.972 8.890 -5.193 126 2HE LYS 15 HE2 LYS 15 17.591 9.828 -4.593 127 1HZ LYS 15 HZ1 LYS 15 20.359 9.729 -3.564 128 2HZ LYS 15 HZ2 LYS 15 19.080 10.138 -2.523 129 3HZ LYS 15 HZ3 LYS 15 19.398 11.087 -3.897 130 H LEU 16 HN LEU 16 14.287 5.465 -1.216 131 HA LEU 16 HA LEU 16 14.905 2.753 -0.428 132 1HB LEU 16 HB2 LEU 16 14.318 4.943 0.906 133 2HB LEU 16 HB1 LEU 16 12.653 4.402 0.693 134 HG LEU 16 HG LEU 16 14.690 2.430 1.661 135 1HD1 LEU 16 HD11 LEU 16 13.218 4.076 3.678 136 2HD1 LEU 16 HD12 LEU 16 14.670 4.766 2.953 137 3HD1 LEU 16 HD13 LEU 16 14.763 3.237 3.828 138 1HD2 LEU 16 HD21 LEU 16 12.118 2.124 1.085 139 2HD2 LEU 16 HD22 LEU 16 11.905 2.777 2.709 140 3HD2 LEU 16 HD23 LEU 16 12.833 1.297 2.469 141 H ALA 17 HN ALA 17 12.088 4.320 -1.918 142 HA ALA 17 HA ALA 17 10.273 2.100 -1.914 143 1HB ALA 17 HB1 ALA 17 10.084 4.621 -2.648 144 2HB ALA 17 HB2 ALA 17 9.123 3.405 -3.491 145 3HB ALA 17 HB3 ALA 17 10.613 4.011 -4.216 146 H LEU 18 HN LEU 18 12.852 3.079 -4.187 147 HA LEU 18 HA LEU 18 12.642 0.849 -5.999 148 1HB LEU 18 HB2 LEU 18 14.518 3.015 -5.274 149 2HB LEU 18 HB1 LEU 18 15.301 1.584 -5.937 150 HG LEU 18 HG LEU 18 12.991 2.072 -7.521 151 1HD1 LEU 18 HD21 LEU 18 13.291 4.340 -8.274 152 2HD1 LEU 18 HD22 LEU 18 14.737 4.536 -7.283 153 3HD1 LEU 18 HD23 LEU 18 13.156 4.394 -6.516 154 1HD2 LEU 18 HD11 LEU 18 14.543 1.448 -9.024 155 2HD2 LEU 18 HD12 LEU 18 15.790 1.594 -7.785 156 3HD2 LEU 18 HD13 LEU 18 15.388 2.980 -8.800 157 H ASP 19 HN ASP 19 14.412 1.329 -2.946 158 HA ASP 19 HA ASP 19 15.641 -1.290 -2.856 159 1HB ASP 19 HB2 ASP 19 16.126 0.739 -1.409 160 2HB ASP 19 HB1 ASP 19 14.590 0.443 -0.594 161 H LEU 20 HN LEU 20 12.494 0.021 -1.831 162 HA LEU 20 HA LEU 20 11.480 -2.338 -0.592 163 1HB LEU 20 HB1 LEU 20 10.389 -0.374 -0.079 164 2HB LEU 20 HB2 LEU 20 10.552 0.264 -1.707 165 HG LEU 20 HG LEU 20 8.614 -0.818 -2.456 166 1HD1 LEU 20 HD11 LEU 20 9.351 -2.843 -0.421 167 2HD1 LEU 20 HD12 LEU 20 8.684 -3.058 -2.041 168 3HD1 LEU 20 HD13 LEU 20 7.622 -2.620 -0.698 169 1HD2 LEU 20 HD21 LEU 20 6.920 -0.266 -0.868 170 2HD2 LEU 20 HD22 LEU 20 8.248 0.871 -0.627 171 3HD2 LEU 20 HD23 LEU 20 8.036 -0.483 0.482 172 H LEU 21 HN LEU 21 10.001 -1.069 -3.558 173 HA LEU 21 HA LEU 21 8.663 -3.369 -4.088 174 1HB LEU 21 HB2 LEU 21 8.807 -2.614 -6.609 175 2HB LEU 21 HB1 LEU 21 8.008 -1.587 -5.427 176 HG LEU 21 HG LEU 21 9.916 -0.124 -5.287 177 1HD1 LEU 21 HD11 LEU 21 11.837 -0.792 -7.011 178 2HD1 LEU 21 HD12 LEU 21 11.266 -2.414 -6.633 179 3HD1 LEU 21 HD13 LEU 21 11.850 -1.362 -5.349 180 1HD2 LEU 21 HD21 LEU 21 8.367 -0.188 -7.408 181 2HD2 LEU 21 HD22 LEU 21 9.831 -0.740 -8.220 182 3HD2 LEU 21 HD23 LEU 21 9.810 0.825 -7.408 183 H GLU 22 HN GLU 22 12.078 -2.982 -4.609 184 HA GLU 22 HA GLU 22 12.499 -5.203 -6.416 185 1HB GLU 22 HB1 GLU 22 14.150 -3.432 -5.863 186 2HB GLU 22 HB2 GLU 22 14.222 -4.033 -4.206 187 1HG GLU 22 HG2 GLU 22 16.091 -4.946 -5.510 188 2HG GLU 22 HG1 GLU 22 14.979 -6.240 -5.065 189 H GLN 23 HN GLN 23 12.272 -4.890 -2.887 190 HA GLN 23 HA GLN 23 13.213 -7.427 -2.139 191 1HB GLN 23 HB2 GLN 23 11.159 -5.549 -0.946 192 2HB GLN 23 HB1 GLN 23 11.795 -6.946 -0.079 193 1HG GLN 23 HG1 GLN 23 13.560 -4.800 -1.281 194 2HG GLN 23 HG2 GLN 23 12.996 -4.763 0.389 195 1HE2 GLN 23 HE21 GLN 23 15.798 -5.221 -0.828 196 2HE2 GLN 23 HE22 GLN 23 16.331 -6.656 -0.095 197 H ILE 24 HN ILE 24 9.857 -6.466 -2.913 198 HA ILE 24 HA ILE 24 8.630 -8.875 -2.062 199 HB ILE 24 HB ILE 24 7.912 -6.739 -4.078 200 1HG1 ILE 24 HG11 ILE 24 6.129 -6.857 -1.903 201 2HG1 ILE 24 HG12 ILE 24 7.731 -7.098 -1.209 202 1HG2 ILE 24 HG21 ILE 24 6.219 -8.012 -4.845 203 2HG2 ILE 24 HG22 ILE 24 5.602 -8.163 -3.200 204 3HG2 ILE 24 HG23 ILE 24 6.747 -9.349 -3.823 205 1HD1 ILE 24 HD11 ILE 24 7.255 -4.910 -3.223 206 2HD1 ILE 24 HD12 ILE 24 8.518 -5.027 -1.999 207 3HD1 ILE 24 HD13 ILE 24 6.860 -4.657 -1.523 208 H LYS 25 HN LYS 25 9.807 -7.973 -5.332 209 HA LYS 25 HA LYS 25 8.956 -10.349 -6.651 210 1HB LYS 25 HB2 LYS 25 9.656 -8.318 -7.792 211 2HB LYS 25 HB1 LYS 25 11.267 -8.434 -7.082 212 1HG LYS 25 HG1 LYS 25 11.680 -10.506 -8.258 213 2HG LYS 25 HG2 LYS 25 10.041 -10.518 -8.905 214 1HD LYS 25 HD2 LYS 25 10.564 -8.297 -10.002 215 2HD LYS 25 HD1 LYS 25 12.244 -8.527 -9.517 216 1HE LYS 25 HE1 LYS 25 12.475 -10.476 -10.889 217 2HE LYS 25 HE2 LYS 25 10.722 -10.600 -11.128 218 1HZ LYS 25 HZ1 LYS 25 11.224 -8.069 -11.896 219 2HZ LYS 25 HZ2 LYS 25 11.129 -9.386 -12.965 220 3HZ LYS 25 HZ3 LYS 25 12.642 -8.846 -12.410 221 H ASN 26 HN ASN 26 12.126 -9.513 -5.194 222 HA ASN 26 HA ASN 26 13.347 -12.091 -5.565 223 1HB ASN 26 HB2 ASN 26 14.321 -9.774 -4.927 224 2HB ASN 26 HB1 ASN 26 13.862 -10.188 -3.279 225 1HD2 ASN 26 HD21 ASN 26 15.361 -12.045 -6.000 226 2HD2 ASN 26 HD22 ASN 26 16.641 -12.655 -5.066 227 H GLY 27 HN GLY 27 11.960 -10.628 -2.615 228 1HA GLY 27 HA2 GLY 27 11.850 -13.341 -1.423 229 2HA GLY 27 HA1 GLY 27 11.845 -11.819 -0.530 230 H ALA 28 HN ALA 28 9.815 -10.497 -2.004 231 HA ALA 28 HA ALA 28 7.464 -10.440 -2.368 232 1HB ALA 28 HB1 ALA 28 7.105 -13.187 -1.274 233 2HB ALA 28 HB2 ALA 28 7.984 -13.030 -2.794 234 3HB ALA 28 HB3 ALA 28 6.332 -12.428 -2.666 235 H ASP 29 HN ASP 29 5.565 -11.741 -0.611 236 HA ASP 29 HA ASP 29 4.625 -11.449 1.528 237 1HB ASP 29 HB2 ASP 29 7.538 -11.875 1.765 238 2HB ASP 29 HB1 ASP 29 6.780 -11.184 3.206 239 H PHE 30 HN PHE 30 3.938 -9.330 0.626 240 HA PHE 30 HA PHE 30 5.292 -6.874 0.991 241 1HB PHE 30 HB1 PHE 30 3.291 -7.371 -0.384 242 2HB PHE 30 HB2 PHE 30 2.339 -7.561 1.086 243 HD1 PHE 30 HD1 PHE 30 1.768 -5.654 2.497 244 HD2 PHE 30 HD2 PHE 30 4.073 -5.145 -1.096 245 HE1 PHE 30 HE1 PHE 30 1.370 -3.206 2.590 246 HE2 PHE 30 HE2 PHE 30 3.675 -2.697 -1.004 247 HZ PHE 30 HZ PHE 30 2.323 -1.728 0.838 248 H GLY 31 HN GLY 31 2.893 -8.466 3.133 249 1HA GLY 31 HA1 GLY 31 2.792 -6.416 5.072 250 2HA GLY 31 HA2 GLY 31 2.406 -8.104 5.400 251 H LYS 32 HN LYS 32 4.961 -9.243 4.885 252 HA LYS 32 HA LYS 32 6.232 -8.826 7.423 253 1HB LYS 32 HB2 LYS 32 7.087 -10.138 4.827 254 2HB LYS 32 HB1 LYS 32 8.011 -10.266 6.323 255 1HG LYS 32 HG1 LYS 32 6.049 -11.251 7.452 256 2HG LYS 32 HG2 LYS 32 5.125 -11.124 5.955 257 1HD LYS 32 HD2 LYS 32 6.747 -12.607 4.829 258 2HD LYS 32 HD1 LYS 32 7.668 -12.736 6.325 259 1HE LYS 32 HE1 LYS 32 5.994 -14.003 7.394 260 2HE LYS 32 HE2 LYS 32 4.735 -13.453 6.272 261 1HZ LYS 32 HZ1 LYS 32 5.724 -15.758 5.867 262 2HZ LYS 32 HZ2 LYS 32 7.119 -14.944 5.339 263 3HZ LYS 32 HZ3 LYS 32 5.641 -14.710 4.535 264 H LEU 33 HN LEU 33 7.016 -7.669 4.138 265 HA LEU 33 HA LEU 33 9.497 -6.391 4.819 266 1HB LEU 33 HB2 LEU 33 7.410 -5.957 2.668 267 2HB LEU 33 HB1 LEU 33 8.959 -5.110 2.687 268 HG LEU 33 HG LEU 33 8.562 -8.116 2.598 269 1HD1 LEU 33 HD11 LEU 33 9.227 -8.011 0.353 270 2HD1 LEU 33 HD12 LEU 33 9.966 -6.422 0.548 271 3HD1 LEU 33 HD13 LEU 33 8.210 -6.579 0.513 272 1HD2 LEU 33 HD21 LEU 33 11.218 -7.506 2.034 273 2HD2 LEU 33 HD22 LEU 33 10.612 -8.180 3.548 274 3HD2 LEU 33 HD23 LEU 33 10.823 -6.437 3.380 275 H ALA 34 HN ALA 34 6.124 -5.218 4.795 276 HA ALA 34 HA ALA 34 6.653 -2.479 5.351 277 1HB ALA 34 HB1 ALA 34 4.363 -4.219 6.322 278 2HB ALA 34 HB2 ALA 34 4.479 -3.562 4.690 279 3HB ALA 34 HB3 ALA 34 4.322 -2.474 6.068 280 H LYS 35 HN LYS 35 6.067 -5.216 7.604 281 HA LYS 35 HA LYS 35 6.286 -3.732 10.021 282 1HB LYS 35 HB1 LYS 35 6.921 -6.595 9.253 283 2HB LYS 35 HB2 LYS 35 6.910 -6.034 10.924 284 1HG LYS 35 HG1 LYS 35 4.575 -5.394 10.750 285 2HG LYS 35 HG2 LYS 35 4.565 -5.752 9.024 286 1HD LYS 35 HD1 LYS 35 3.588 -7.662 10.058 287 2HD LYS 35 HD2 LYS 35 5.241 -8.141 9.676 288 1HE LYS 35 HE1 LYS 35 5.946 -7.859 11.953 289 2HE LYS 35 HE2 LYS 35 4.447 -7.012 12.380 290 1HZ LYS 35 HZ1 LYS 35 4.395 -9.731 11.214 291 2HZ LYS 35 HZ2 LYS 35 3.193 -8.942 12.119 292 3HZ LYS 35 HZ3 LYS 35 4.598 -9.514 12.884 293 H LYS 36 HN LYS 36 8.808 -5.339 8.062 294 HA LYS 36 HA LYS 36 10.915 -4.888 9.970 295 1HB LYS 36 HB2 LYS 36 10.816 -5.549 7.019 296 2HB LYS 36 HB1 LYS 36 12.319 -5.518 7.941 297 1HG LYS 36 HG1 LYS 36 11.401 -7.200 9.498 298 2HG LYS 36 HG2 LYS 36 9.895 -7.231 8.577 299 1HD LYS 36 HD1 LYS 36 11.222 -9.095 7.822 300 2HD LYS 36 HD2 LYS 36 11.273 -7.877 6.547 301 1HE LYS 36 HE2 LYS 36 13.449 -7.043 7.592 302 2HE LYS 36 HE1 LYS 36 13.423 -8.508 8.592 303 1HZ LYS 36 HZ1 LYS 36 13.464 -8.314 5.629 304 2HZ LYS 36 HZ2 LYS 36 13.042 -9.745 6.440 305 3HZ LYS 36 HZ3 LYS 36 14.593 -9.082 6.635 306 H HIS 37 HN HIS 37 10.244 -3.254 6.833 307 HA HIS 37 HA HIS 37 12.385 -1.328 7.523 308 1HB HIS 37 HB1 HIS 37 12.624 -1.122 5.177 309 2HB HIS 37 HB2 HIS 37 12.200 -2.815 5.424 310 HD1 HIS 37 HD1 HIS 37 10.405 0.480 4.709 311 HD2 HIS 37 HD2 HIS 37 10.026 -3.593 3.907 312 HE1 HIS 37 HE1 HIS 37 8.405 0.236 3.177 313 H SER 38 HN SER 38 8.915 -1.344 7.227 314 HA SER 38 HA SER 38 8.443 1.228 6.173 315 1HB SER 38 HB1 SER 38 6.247 0.955 7.131 316 2HB SER 38 HB2 SER 38 6.817 -0.653 6.684 317 HG SER 38 HG SER 38 6.240 -0.989 8.708 318 H ILE 39 HN ILE 39 8.707 0.293 9.620 319 HA ILE 39 HA ILE 39 8.920 1.683 11.539 320 HB ILE 39 HB ILE 39 11.175 1.336 10.425 321 1HG1 ILE 39 HG12 ILE 39 11.022 4.023 11.790 322 2HG1 ILE 39 HG11 ILE 39 10.705 2.530 12.671 323 1HG2 ILE 39 HG21 ILE 39 10.951 2.627 8.426 324 2HG2 ILE 39 HG22 ILE 39 12.126 3.484 9.423 325 3HG2 ILE 39 HG23 ILE 39 10.464 4.063 9.325 326 1HD1 ILE 39 HD11 ILE 39 13.066 3.139 12.903 327 2HD1 ILE 39 HD12 ILE 39 13.241 3.205 11.149 328 3HD1 ILE 39 HD13 ILE 39 12.924 1.664 11.946 329 H CYS 40 HN CYS 40 6.945 2.681 9.530 330 HA CYS 40 HA CYS 40 7.202 5.628 10.045 331 1HB CYS 40 HB1 CYS 40 6.257 5.945 7.835 332 2HB CYS 40 HB2 CYS 40 7.580 4.788 7.691 333 HG CYS 40 HG CYS 40 4.571 4.113 7.406 334 HA PRO 41 HA PRO 41 3.340 5.959 11.944 335 1HB PRO 41 HB2 PRO 41 2.189 7.450 9.634 336 2HB PRO 41 HB1 PRO 41 2.311 7.928 11.337 337 1HG PRO 41 HG1 PRO 41 3.911 8.952 9.441 338 2HG PRO 41 HG2 PRO 41 4.456 8.692 11.103 339 1HD PRO 41 HD1 PRO 41 5.120 7.185 8.640 340 2HD PRO 41 HD2 PRO 41 6.079 7.427 10.115 341 H SER 42 HN SER 42 3.127 5.109 8.501 342 HA SER 42 HA SER 42 0.711 3.447 9.101 343 1HB SER 42 HB2 SER 42 0.859 3.428 6.433 344 2HB SER 42 HB1 SER 42 0.153 4.795 7.298 345 HG SER 42 HG SER 42 1.858 5.983 6.860 346 H GLY 43 HN GLY 43 3.807 2.964 9.421 347 1HA GLY 43 HA1 GLY 43 4.210 0.626 7.689 348 2HA GLY 43 HA2 GLY 43 5.301 1.174 8.966 349 H LYS 44 HN LYS 44 4.034 1.098 11.232 350 HA LYS 44 HA LYS 44 3.567 -1.638 11.905 351 1HB LYS 44 HB2 LYS 44 4.260 0.143 13.463 352 2HB LYS 44 HB1 LYS 44 2.705 0.947 13.244 353 1HG LYS 44 HG1 LYS 44 2.625 -0.365 15.295 354 2HG LYS 44 HG2 LYS 44 1.576 -1.122 14.095 355 1HD LYS 44 HD1 LYS 44 3.368 -2.717 13.526 356 2HD LYS 44 HD2 LYS 44 4.430 -1.953 14.709 357 1HE LYS 44 HE2 LYS 44 3.286 -4.027 15.585 358 2HE LYS 44 HE1 LYS 44 2.903 -2.574 16.529 359 1HZ LYS 44 HZ1 LYS 44 0.838 -2.379 15.554 360 2HZ LYS 44 HZ2 LYS 44 0.985 -4.070 15.633 361 3HZ LYS 44 HZ3 LYS 44 1.275 -3.255 14.171 362 H ARG 45 HN ARG 45 1.303 1.027 11.137 363 HA ARG 45 HA ARG 45 -0.965 -0.884 11.425 364 1HB ARG 45 HB2 ARG 45 -1.268 1.053 12.727 365 2HB ARG 45 HB1 ARG 45 -0.603 2.112 11.483 366 1HG ARG 45 HG2 ARG 45 -3.065 2.325 11.624 367 2HG ARG 45 HG1 ARG 45 -2.563 1.678 10.061 368 1HD ARG 45 HD1 ARG 45 -3.124 -0.588 10.756 369 2HD ARG 45 HD2 ARG 45 -3.471 -0.034 12.404 370 HE ARG 45 HE ARG 45 -4.995 1.477 10.463 371 1HH1 ARG 45 HH11 ARG 45 -4.773 -1.557 12.106 372 2HH1 ARG 45 HH12 ARG 45 -6.472 -1.874 12.014 373 1HH2 ARG 45 HH21 ARG 45 -7.211 1.069 10.341 374 2HH2 ARG 45 HH22 ARG 45 -7.850 -0.391 11.017 375 H GLY 46 HN GLY 46 0.331 1.528 9.100 376 1HA GLY 46 HA2 GLY 46 -1.633 1.051 7.078 377 2HA GLY 46 HA1 GLY 46 -0.029 1.721 6.786 378 H GLY 47 HN GLY 47 1.272 -0.657 8.021 379 1HA GLY 47 HA2 GLY 47 1.425 -2.333 5.652 380 2HA GLY 47 HA1 GLY 47 2.252 -2.624 7.176 381 H ASP 48 HN ASP 48 -0.918 -2.140 7.967 382 HA ASP 48 HA ASP 48 -2.087 -4.695 7.240 383 1HB ASP 48 HB2 ASP 48 -0.217 -5.204 8.916 384 2HB ASP 48 HB1 ASP 48 -1.182 -4.337 10.112 385 H LEU 49 HN LEU 49 -3.590 -2.834 6.742 386 HA LEU 49 HA LEU 49 -4.813 -1.445 9.035 387 1HB LEU 49 HB1 LEU 49 -5.266 -1.403 6.033 388 2HB LEU 49 HB2 LEU 49 -6.020 -0.286 7.172 389 HG LEU 49 HG LEU 49 -3.038 -0.567 7.243 390 1HD1 LEU 49 HD11 LEU 49 -2.741 0.162 5.132 391 2HD1 LEU 49 HD12 LEU 49 -3.734 1.575 5.487 392 3HD1 LEU 49 HD13 LEU 49 -4.483 0.104 4.865 393 1HD2 LEU 49 HD21 LEU 49 -4.499 2.024 7.293 394 2HD2 LEU 49 HD22 LEU 49 -3.144 1.477 8.283 395 3HD2 LEU 49 HD23 LEU 49 -4.783 0.932 8.648 396 H GLY 50 HN GLY 50 -5.316 -4.380 7.442 397 1HA GLY 50 HA2 GLY 50 -7.114 -5.903 7.492 398 2HA GLY 50 HA1 GLY 50 -7.920 -4.838 8.645 399 H GLU 51 HN GLU 51 -9.897 -4.363 7.758 400 HA GLU 51 HA GLU 51 -9.941 -3.507 4.885 401 1HB GLU 51 HB2 GLU 51 -11.986 -4.864 6.659 402 2HB GLU 51 HB1 GLU 51 -12.384 -4.202 5.074 403 1HG GLU 51 HG2 GLU 51 -11.855 -6.361 4.455 404 2HG GLU 51 HG1 GLU 51 -10.254 -5.632 4.351 405 H PHE 52 HN PHE 52 -11.028 -1.566 4.403 406 HA PHE 52 HA PHE 52 -12.196 -0.075 6.706 407 1HB PHE 52 HB1 PHE 52 -11.188 1.970 5.422 408 2HB PHE 52 HB2 PHE 52 -10.130 1.000 6.442 409 HD1 PHE 52 HD1 PHE 52 -11.516 0.596 2.966 410 HD2 PHE 52 HD2 PHE 52 -8.035 0.755 5.483 411 HE1 PHE 52 HE1 PHE 52 -10.071 0.142 0.998 412 HE2 PHE 52 HE2 PHE 52 -6.589 0.300 3.520 413 HZ PHE 52 HZ PHE 52 -7.609 -0.004 1.274 414 H ARG 53 HN ARG 53 -13.697 1.669 5.978 415 HA ARG 53 HA ARG 53 -15.229 0.700 3.605 416 1HB ARG 53 HB2 ARG 53 -16.024 2.338 6.035 417 2HB ARG 53 HB1 ARG 53 -17.131 1.760 4.793 418 1HG ARG 53 HG1 ARG 53 -16.404 -0.587 5.330 419 2HG ARG 53 HG2 ARG 53 -15.475 0.065 6.681 420 1HD ARG 53 HD2 ARG 53 -17.694 1.178 7.428 421 2HD ARG 53 HD1 ARG 53 -18.476 0.052 6.302 422 HE ARG 53 HE ARG 53 -16.641 -1.466 7.825 423 1HH1 ARG 53 HH11 ARG 53 -19.478 0.460 8.282 424 2HH1 ARG 53 HH12 ARG 53 -20.008 -0.423 9.673 425 1HH2 ARG 53 HH21 ARG 53 -17.327 -2.619 9.643 426 2HH2 ARG 53 HH22 ARG 53 -18.794 -2.162 10.442 427 H GLN 54 HN GLN 54 -16.826 2.835 3.070 428 HA GLN 54 HA GLN 54 -15.222 4.609 1.510 429 1HB GLN 54 HB2 GLN 54 -17.344 5.748 1.164 430 2HB GLN 54 HB1 GLN 54 -17.659 4.014 1.242 431 1HG GLN 54 HG2 GLN 54 -18.296 4.225 3.611 432 2HG GLN 54 HG1 GLN 54 -17.950 5.954 3.560 433 1HE2 GLN 54 HE21 GLN 54 -20.021 6.890 3.696 434 2HE2 GLN 54 HE22 GLN 54 -21.306 6.520 2.650 435 H GLY 55 HN GLY 55 -15.906 4.581 4.881 436 1HA GLY 55 HA2 GLY 55 -15.689 7.486 5.214 437 2HA GLY 55 HA1 GLY 55 -15.912 6.308 6.506 438 H GLN 56 HN GLN 56 -13.356 5.864 4.158 439 HA GLN 56 HA GLN 56 -11.374 7.403 5.562 440 1HB GLN 56 HB2 GLN 56 -10.131 5.017 6.078 441 2HB GLN 56 HB1 GLN 56 -11.036 5.933 7.272 442 1HG GLN 56 HG1 GLN 56 -12.705 4.130 5.642 443 2HG GLN 56 HG2 GLN 56 -11.499 3.315 6.622 444 1HE2 GLN 56 HE21 GLN 56 -13.818 2.681 7.587 445 2HE2 GLN 56 HE22 GLN 56 -14.309 3.627 8.918 446 H MET 57 HN MET 57 -10.459 4.234 4.425 447 HA MET 57 HA MET 57 -8.927 3.718 2.674 448 1HB MET 57 HB2 MET 57 -11.418 4.954 1.648 449 2HB MET 57 HB1 MET 57 -10.097 4.851 0.485 450 1HG MET 57 HG2 MET 57 -9.851 2.424 1.065 451 2HG MET 57 HG1 MET 57 -11.277 2.565 2.094 452 1HE MET 57 HE1 MET 57 -14.206 2.456 0.116 453 2HE MET 57 HE2 MET 57 -13.662 4.081 0.525 454 3HE MET 57 HE3 MET 57 -13.351 2.750 1.636 455 H VAL 58 HN VAL 58 -8.128 5.075 0.417 456 HA VAL 58 HA VAL 58 -7.192 7.770 1.261 457 HB VAL 58 HB VAL 58 -5.616 6.188 2.237 458 1HG1 VAL 58 HG21 VAL 58 -4.926 4.275 1.216 459 2HG1 VAL 58 HG22 VAL 58 -4.761 5.059 -0.356 460 3HG1 VAL 58 HG23 VAL 58 -6.348 4.535 0.206 461 1HG2 VAL 58 HG11 VAL 58 -3.912 6.799 -0.039 462 2HG2 VAL 58 HG12 VAL 58 -3.845 7.430 1.605 463 3HG2 VAL 58 HG13 VAL 58 -4.903 8.184 0.416 464 HA PRO 59 HA PRO 59 -8.213 8.771 -2.868 465 1HB PRO 59 HB2 PRO 59 -5.724 10.299 -3.078 466 2HB PRO 59 HB1 PRO 59 -7.395 10.884 -3.064 467 1HG PRO 59 HG1 PRO 59 -5.475 10.855 -0.921 468 2HG PRO 59 HG2 PRO 59 -7.097 11.556 -0.946 469 1HD PRO 59 HD2 PRO 59 -6.330 9.366 0.564 470 2HD PRO 59 HD1 PRO 59 -8.003 9.767 0.124 471 H ALA 60 HN ALA 60 -4.729 8.142 -2.307 472 HA ALA 60 HA ALA 60 -4.055 7.340 -4.933 473 1HB ALA 60 HB1 ALA 60 -2.086 6.456 -3.872 474 2HB ALA 60 HB2 ALA 60 -2.945 6.207 -2.351 475 3HB ALA 60 HB3 ALA 60 -2.587 7.844 -2.904 476 H PHE 61 HN PHE 61 -5.356 5.432 -2.220 477 HA PHE 61 HA PHE 61 -5.189 2.848 -3.417 478 1HB PHE 61 HB2 PHE 61 -5.679 3.179 -1.070 479 2HB PHE 61 HB1 PHE 61 -7.121 4.116 -1.458 480 HD1 PHE 61 HD1 PHE 61 -9.165 3.051 -2.213 481 HD2 PHE 61 HD2 PHE 61 -5.636 0.731 -1.414 482 HE1 PHE 61 HE1 PHE 61 -10.517 0.971 -2.285 483 HE2 PHE 61 HE2 PHE 61 -6.988 -1.349 -1.484 484 HZ PHE 61 HZ PHE 61 -9.428 -1.229 -1.919 485 H ASP 62 HN ASP 62 -7.736 5.341 -3.587 486 HA ASP 62 HA ASP 62 -9.664 3.828 -5.035 487 1HB ASP 62 HB1 ASP 62 -10.038 6.009 -3.930 488 2HB ASP 62 HB2 ASP 62 -8.987 6.788 -5.112 489 H LYS 63 HN LYS 63 -7.067 5.982 -6.231 490 HA LYS 63 HA LYS 63 -7.549 5.644 -9.020 491 1HB LYS 63 HB1 LYS 63 -5.054 6.165 -7.376 492 2HB LYS 63 HB2 LYS 63 -5.102 6.303 -9.133 493 1HG LYS 63 HG1 LYS 63 -6.895 7.990 -8.953 494 2HG LYS 63 HG2 LYS 63 -6.847 7.852 -7.195 495 1HD LYS 63 HD2 LYS 63 -4.489 8.584 -7.200 496 2HD LYS 63 HD1 LYS 63 -4.536 8.722 -8.958 497 1HE LYS 63 HE1 LYS 63 -6.391 10.403 -8.724 498 2HE LYS 63 HE2 LYS 63 -6.167 10.338 -6.965 499 1HZ LYS 63 HZ1 LYS 63 -3.753 10.774 -7.412 500 2HZ LYS 63 HZ2 LYS 63 -4.780 12.077 -7.778 501 3HZ LYS 63 HZ3 LYS 63 -4.162 11.100 -9.024 502 H VAL 64 HN VAL 64 -5.448 3.809 -6.783 503 HA VAL 64 HA VAL 64 -4.449 2.121 -8.937 504 HB VAL 64 HB VAL 64 -3.258 2.963 -6.830 505 1HG1 VAL 64 HG21 VAL 64 -4.717 0.620 -5.576 506 2HG1 VAL 64 HG22 VAL 64 -5.147 2.308 -5.300 507 3HG1 VAL 64 HG23 VAL 64 -3.572 1.704 -4.784 508 1HG2 VAL 64 HG11 VAL 64 -1.932 1.410 -7.875 509 2HG2 VAL 64 HG12 VAL 64 -3.221 0.211 -7.954 510 3HG2 VAL 64 HG13 VAL 64 -2.337 0.456 -6.449 511 H VAL 65 HN VAL 65 -6.627 1.506 -6.120 512 HA VAL 65 HA VAL 65 -7.152 -1.243 -6.735 513 HB VAL 65 HB VAL 65 -7.860 0.178 -4.707 514 1HG1 VAL 65 HG21 VAL 65 -8.919 2.000 -5.991 515 2HG1 VAL 65 HG22 VAL 65 -10.080 1.242 -4.903 516 3HG1 VAL 65 HG23 VAL 65 -10.109 0.865 -6.625 517 1HG2 VAL 65 HG11 VAL 65 -10.327 -1.180 -5.500 518 2HG2 VAL 65 HG12 VAL 65 -9.202 -1.574 -4.201 519 3HG2 VAL 65 HG13 VAL 65 -8.892 -2.149 -5.840 520 H PHE 66 HN PHE 66 -8.073 1.741 -8.283 521 HA PHE 66 HA PHE 66 -10.057 0.387 -10.046 522 1HB PHE 66 HB1 PHE 66 -10.362 2.690 -9.016 523 2HB PHE 66 HB2 PHE 66 -9.034 3.244 -10.034 524 HD1 PHE 66 HD1 PHE 66 -12.334 1.473 -10.226 525 HD2 PHE 66 HD2 PHE 66 -9.467 3.983 -12.220 526 HE1 PHE 66 HE1 PHE 66 -13.916 1.781 -12.114 527 HE2 PHE 66 HE2 PHE 66 -11.049 4.289 -14.108 528 HZ PHE 66 HZ PHE 66 -13.273 3.188 -14.055 529 H SER 67 HN SER 67 -6.730 1.194 -9.900 530 HA SER 67 HA SER 67 -6.320 1.063 -12.825 531 1HB SER 67 HB1 SER 67 -5.157 2.687 -11.249 532 2HB SER 67 HB2 SER 67 -4.292 1.295 -10.600 533 HG SER 67 HG SER 67 -4.351 2.007 -13.339 534 H CYS 68 HN CYS 68 -5.315 -0.648 -9.859 535 HA CYS 68 HA CYS 68 -4.597 -3.045 -11.498 536 1HB CYS 68 HB2 CYS 68 -3.412 -3.723 -9.439 537 2HB CYS 68 HB1 CYS 68 -2.922 -2.098 -9.924 538 HG CYS 68 HG CYS 68 -3.908 -2.617 -7.267 539 HA PRO 69 HA PRO 69 -8.400 -4.873 -10.110 540 1HB PRO 69 HB1 PRO 69 -7.171 -7.478 -10.657 541 2HB PRO 69 HB2 PRO 69 -8.530 -6.691 -11.478 542 1HG PRO 69 HG2 PRO 69 -6.069 -7.034 -12.591 543 2HG PRO 69 HG1 PRO 69 -7.194 -5.752 -13.051 544 1HD PRO 69 HD2 PRO 69 -4.734 -5.605 -11.395 545 2HD PRO 69 HD1 PRO 69 -5.457 -4.388 -12.467 546 H VAL 70 HN VAL 70 -8.991 -6.698 -8.513 547 HA VAL 70 HA VAL 70 -7.719 -6.348 -6.006 548 HB VAL 70 HB VAL 70 -9.036 -8.479 -5.488 549 1HG1 VAL 70 HG11 VAL 70 -11.026 -6.908 -6.907 550 2HG1 VAL 70 HG12 VAL 70 -9.877 -5.866 -6.068 551 3HG1 VAL 70 HG13 VAL 70 -10.781 -7.086 -5.169 552 1HG2 VAL 70 HG21 VAL 70 -9.572 -9.810 -7.223 553 2HG2 VAL 70 HG22 VAL 70 -8.886 -8.643 -8.354 554 3HG2 VAL 70 HG23 VAL 70 -10.579 -8.518 -7.876 555 H LEU 71 HN LEU 71 -6.720 -8.251 -4.745 556 HA LEU 71 HA LEU 71 -4.697 -9.467 -4.490 557 1HB LEU 71 HB2 LEU 71 -5.992 -10.872 -6.848 558 2HB LEU 71 HB1 LEU 71 -4.855 -11.589 -5.706 559 HG LEU 71 HG LEU 71 -6.682 -10.685 -3.953 560 1HD1 LEU 71 HD21 LEU 71 -8.661 -11.678 -5.857 561 2HD1 LEU 71 HD22 LEU 71 -7.927 -10.168 -6.397 562 3HD1 LEU 71 HD23 LEU 71 -8.724 -10.250 -4.826 563 1HD2 LEU 71 HD11 LEU 71 -7.784 -13.013 -4.264 564 2HD2 LEU 71 HD12 LEU 71 -6.057 -12.965 -3.909 565 3HD2 LEU 71 HD13 LEU 71 -6.609 -13.238 -5.561 566 H GLU 72 HN GLU 72 -4.333 -7.128 -6.159 567 HA GLU 72 HA GLU 72 -2.084 -8.149 -7.839 568 1HB GLU 72 HB1 GLU 72 -4.222 -7.614 -9.138 569 2HB GLU 72 HB2 GLU 72 -3.968 -5.930 -8.676 570 1HG GLU 72 HG2 GLU 72 -2.858 -6.008 -10.727 571 2HG GLU 72 HG1 GLU 72 -1.538 -6.356 -9.611 572 HA PRO 73 HA PRO 73 -0.747 -4.991 -4.727 573 1HB PRO 73 HB2 PRO 73 1.917 -5.888 -5.202 574 2HB PRO 73 HB1 PRO 73 0.906 -6.246 -3.794 575 1HG PRO 73 HG1 PRO 73 1.485 -7.891 -6.168 576 2HG PRO 73 HG2 PRO 73 1.019 -8.386 -4.535 577 1HD PRO 73 HD1 PRO 73 -0.660 -8.527 -6.660 578 2HD PRO 73 HD2 PRO 73 -1.228 -8.247 -4.999 579 H THR 74 HN THR 74 -0.421 -2.953 -5.517 580 HA THR 74 HA THR 74 1.220 -2.631 -8.005 581 HB THR 74 HB THR 74 -1.453 -1.373 -7.307 582 HG1 THR 74 HG1 THR 74 -1.515 -3.565 -7.995 583 1HG2 THR 74 HG21 THR 74 0.324 -1.083 -9.745 584 2HG2 THR 74 HG22 THR 74 -0.041 0.175 -8.564 585 3HG2 THR 74 HG23 THR 74 -1.316 -0.448 -9.612 586 H GLY 75 HN GLY 75 2.615 -0.881 -7.924 587 1HA GLY 75 HA1 GLY 75 2.545 1.572 -6.838 588 2HA GLY 75 HA2 GLY 75 2.727 0.607 -5.374 589 HA PRO 76 HA PRO 76 3.946 1.946 -4.387 590 1HB PRO 76 HB1 PRO 76 5.675 4.072 -4.237 591 2HB PRO 76 HB2 PRO 76 5.995 2.504 -3.475 592 1HG PRO 76 HG2 PRO 76 7.020 3.615 -6.048 593 2HG PRO 76 HG1 PRO 76 7.870 2.681 -4.807 594 1HD PRO 76 HD1 PRO 76 6.967 1.593 -7.129 595 2HD PRO 76 HD2 PRO 76 7.105 0.671 -5.618 596 H LEU 77 HN LEU 77 3.130 4.328 -4.232 597 HA LEU 77 HA LEU 77 2.593 5.442 -6.964 598 1HB LEU 77 HB2 LEU 77 0.749 4.607 -4.735 599 2HB LEU 77 HB1 LEU 77 0.248 5.868 -5.861 600 HG LEU 77 HG LEU 77 1.269 3.158 -6.751 601 1HD1 LEU 77 HD11 LEU 77 -1.057 3.508 -5.375 602 2HD1 LEU 77 HD12 LEU 77 -0.841 2.288 -6.630 603 3HD1 LEU 77 HD13 LEU 77 -1.605 3.829 -7.020 604 1HD2 LEU 77 HD21 LEU 77 -0.544 4.877 -8.372 605 2HD2 LEU 77 HD22 LEU 77 0.803 3.861 -8.888 606 3HD2 LEU 77 HD23 LEU 77 1.115 5.444 -8.175 607 H HIS 78 HN HIS 78 1.492 7.718 -6.642 608 HA HIS 78 HA HIS 78 3.295 9.223 -4.837 609 1HB HIS 78 HB1 HIS 78 3.165 9.820 -7.193 610 2HB HIS 78 HB2 HIS 78 1.410 9.985 -7.088 611 HD1 HIS 78 HD1 HIS 78 4.414 11.957 -6.924 612 HD2 HIS 78 HD2 HIS 78 0.711 12.107 -5.017 613 HE1 HIS 78 HE1 HIS 78 4.192 14.294 -5.974 614 H THR 79 HN THR 79 2.542 9.824 -2.859 615 HA THR 79 HA THR 79 -0.250 10.841 -2.641 616 HB THR 79 HB THR 79 -0.114 8.421 -1.948 617 HG1 THR 79 HG1 THR 79 -1.475 8.826 -0.378 618 1HG2 THR 79 HG21 THR 79 1.045 8.553 0.565 619 2HG2 THR 79 HG22 THR 79 2.145 9.504 -0.430 620 3HG2 THR 79 HG23 THR 79 1.783 7.836 -0.867 621 H GLN 80 HN GLN 80 -0.491 12.195 -0.625 622 HA GLN 80 HA GLN 80 1.607 14.086 -0.348 623 1HB GLN 80 HB1 GLN 80 -0.776 14.466 0.165 624 2HB GLN 80 HB2 GLN 80 -0.666 13.353 1.529 625 1HG GLN 80 HG2 GLN 80 -0.474 15.696 2.286 626 2HG GLN 80 HG1 GLN 80 1.023 14.814 2.583 627 1HE2 GLN 80 HE21 GLN 80 2.789 16.108 2.070 628 2HE2 GLN 80 HE22 GLN 80 2.867 17.180 0.757 629 H PHE 81 HN PHE 81 0.766 11.278 1.676 630 HA PHE 81 HA PHE 81 2.620 11.712 3.795 631 1HB PHE 81 HB2 PHE 81 1.390 9.263 2.510 632 2HB PHE 81 HB1 PHE 81 2.372 9.168 3.972 633 HD1 PHE 81 HD1 PHE 81 1.564 10.012 6.094 634 HD2 PHE 81 HD2 PHE 81 -0.763 10.483 2.510 635 HE1 PHE 81 HE1 PHE 81 -0.400 10.684 7.457 636 HE2 PHE 81 HE2 PHE 81 -2.727 11.154 3.873 637 HZ PHE 81 HZ PHE 81 -2.545 11.254 6.346 638 H GLY 82 HN GLY 82 3.142 10.784 0.497 639 1HA GLY 82 HA2 GLY 82 5.682 11.044 -0.043 640 2HA GLY 82 HA1 GLY 82 5.862 9.751 1.144 641 H TYR 83 HN TYR 83 6.299 7.909 -0.002 642 HA TYR 83 HA TYR 83 4.903 7.404 -2.578 643 1HB TYR 83 HB1 TYR 83 7.315 6.447 -1.124 644 2HB TYR 83 HB2 TYR 83 6.510 5.263 -2.155 645 HD1 TYR 83 HD1 TYR 83 7.509 5.099 -4.250 646 HD2 TYR 83 HD2 TYR 83 7.165 8.961 -2.392 647 HE1 TYR 83 HE1 TYR 83 8.512 6.155 -6.259 648 HE2 TYR 83 HE2 TYR 83 8.169 10.017 -4.403 649 HH TYR 83 HH TYR 83 8.513 8.391 -7.353 650 H HIS 84 HN HIS 84 3.015 6.290 -2.524 651 HA HIS 84 HA HIS 84 2.422 4.503 -0.192 652 1HB HIS 84 HB2 HIS 84 0.829 6.213 -2.027 653 2HB HIS 84 HB1 HIS 84 0.113 4.651 -1.660 654 HD1 HIS 84 HD1 HIS 84 -1.601 6.496 -0.429 655 HD2 HIS 84 HD2 HIS 84 2.048 5.681 1.414 656 HE1 HIS 84 HE1 HIS 84 -1.842 7.220 1.982 657 H ILE 85 HN ILE 85 2.902 2.379 -0.586 658 HA ILE 85 HA ILE 85 2.307 1.309 -3.331 659 HB ILE 85 HB ILE 85 4.660 1.111 -2.383 660 1HG1 ILE 85 HG12 ILE 85 3.526 -1.649 -2.655 661 2HG1 ILE 85 HG11 ILE 85 3.339 -0.535 -4.010 662 1HG2 ILE 85 HG21 ILE 85 5.003 -0.575 -0.627 663 2HG2 ILE 85 HG22 ILE 85 3.261 -0.824 -0.514 664 3HG2 ILE 85 HG23 ILE 85 3.963 0.722 -0.037 665 1HD1 ILE 85 HD11 ILE 85 6.039 -0.403 -2.965 666 2HD1 ILE 85 HD12 ILE 85 5.497 -0.796 -4.598 667 3HD1 ILE 85 HD13 ILE 85 5.619 -2.065 -3.379 668 H ILE 86 HN ILE 86 0.491 0.088 -3.423 669 HA ILE 86 HA ILE 86 -0.777 -0.676 -0.826 670 HB ILE 86 HB ILE 86 -1.799 0.276 -3.509 671 1HG1 ILE 86 HG11 ILE 86 -2.066 1.488 -0.747 672 2HG1 ILE 86 HG12 ILE 86 -0.776 1.911 -1.872 673 1HG2 ILE 86 HG21 ILE 86 -3.136 -1.383 -1.617 674 2HG2 ILE 86 HG22 ILE 86 -3.816 -0.598 -3.042 675 3HG2 ILE 86 HG23 ILE 86 -3.832 0.234 -1.487 676 1HD1 ILE 86 HD11 ILE 86 -3.684 2.053 -2.669 677 2HD1 ILE 86 HD12 ILE 86 -2.301 2.826 -3.443 678 3HD1 ILE 86 HD13 ILE 86 -2.875 3.408 -1.881 679 H LYS 87 HN LYS 87 -1.314 -2.776 -0.501 680 HA LYS 87 HA LYS 87 -1.448 -4.653 -2.836 681 1HB LYS 87 HB2 LYS 87 0.051 -5.180 -0.893 682 2HB LYS 87 HB1 LYS 87 -1.365 -5.162 0.154 683 1HG LYS 87 HG2 LYS 87 -2.369 -6.989 -1.150 684 2HG LYS 87 HG1 LYS 87 -0.958 -7.012 -2.211 685 1HD LYS 87 HD2 LYS 87 0.413 -7.351 -0.038 686 2HD LYS 87 HD1 LYS 87 -1.130 -7.764 0.709 687 1HE LYS 87 HE1 LYS 87 -1.248 -9.287 -1.558 688 2HE LYS 87 HE2 LYS 87 0.495 -9.307 -1.222 689 1HZ LYS 87 HZ1 LYS 87 -1.736 -10.252 0.437 690 2HZ LYS 87 HZ2 LYS 87 -0.381 -9.596 1.224 691 3HZ LYS 87 HZ3 LYS 87 -0.205 -10.942 0.201 692 H VAL 88 HN VAL 88 -3.513 -5.261 -3.459 693 HA VAL 88 HA VAL 88 -5.794 -4.299 -1.797 694 HB VAL 88 HB VAL 88 -5.726 -5.387 -4.628 695 1HG1 VAL 88 HG11 VAL 88 -7.834 -4.664 -2.905 696 2HG1 VAL 88 HG12 VAL 88 -7.938 -4.950 -4.642 697 3HG1 VAL 88 HG13 VAL 88 -7.664 -3.318 -4.031 698 1HG2 VAL 88 HG21 VAL 88 -4.608 -2.955 -3.567 699 2HG2 VAL 88 HG22 VAL 88 -5.985 -2.560 -4.594 700 3HG2 VAL 88 HG23 VAL 88 -4.647 -3.508 -5.243 701 H LEU 89 HN LEU 89 -7.322 -5.711 -0.957 702 HA LEU 89 HA LEU 89 -7.157 -8.582 -1.642 703 1HB LEU 89 HB2 LEU 89 -6.959 -7.256 1.083 704 2HB LEU 89 HB1 LEU 89 -7.250 -8.983 0.869 705 HG LEU 89 HG LEU 89 -4.882 -7.534 -0.343 706 1HD1 LEU 89 HD11 LEU 89 -4.766 -7.413 2.113 707 2HD1 LEU 89 HD12 LEU 89 -3.564 -8.545 1.493 708 3HD1 LEU 89 HD13 LEU 89 -5.052 -9.151 2.220 709 1HD2 LEU 89 HD21 LEU 89 -5.890 -9.865 -1.136 710 2HD2 LEU 89 HD22 LEU 89 -5.015 -10.461 0.273 711 3HD2 LEU 89 HD23 LEU 89 -4.147 -9.628 -1.016 712 H TYR 90 HN TYR 90 -9.085 -9.679 -0.612 713 HA TYR 90 HA TYR 90 -11.446 -9.884 -0.839 714 1HB TYR 90 HB2 TYR 90 -10.823 -7.853 1.311 715 2HB TYR 90 HB1 TYR 90 -12.450 -8.496 1.073 716 HD1 TYR 90 HD1 TYR 90 -8.995 -9.277 2.092 717 HD2 TYR 90 HD2 TYR 90 -12.953 -10.852 1.514 718 HE1 TYR 90 HE1 TYR 90 -8.371 -11.315 3.366 719 HE2 TYR 90 HE2 TYR 90 -12.330 -12.888 2.789 720 HH TYR 90 HH TYR 90 -10.766 -13.861 4.047 721 H ARG 91 HN ARG 91 -11.665 -6.455 0.036 722 HA ARG 91 HA ARG 91 -12.700 -4.665 -1.128 723 1HB ARG 91 HB1 ARG 91 -10.795 -5.646 -2.730 724 2HB ARG 91 HB2 ARG 91 -12.194 -6.098 -3.703 725 1HG ARG 91 HG1 ARG 91 -12.908 -3.575 -3.164 726 2HG ARG 91 HG2 ARG 91 -11.165 -3.382 -3.001 727 1HD ARG 91 HD1 ARG 91 -11.177 -3.129 -5.271 728 2HD ARG 91 HD2 ARG 91 -11.397 -4.889 -5.323 729 HE ARG 91 HE ARG 91 -13.912 -3.523 -4.859 730 1HH1 ARG 91 HH11 ARG 91 -11.565 -4.380 -7.247 731 2HH1 ARG 91 HH12 ARG 91 -12.702 -4.360 -8.553 732 1HH2 ARG 91 HH21 ARG 91 -15.398 -3.494 -6.556 733 2HH2 ARG 91 HH22 ARG 91 -14.868 -3.860 -8.163 734 H ASN 92 HN ASN 92 -14.264 -4.788 -3.496 735 HA ASN 92 HA ASN 92 -16.742 -5.821 -2.514 736 1HB ASN 92 HB1 ASN 92 -15.631 -4.537 -4.915 737 2HB ASN 92 HB2 ASN 92 -17.006 -5.585 -5.256 738 1HD2 ASN 92 HD21 ASN 92 -17.957 -3.273 -5.748 739 2HD2 ASN 92 HD22 ASN 92 -18.699 -2.479 -4.444 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -17.761 -3.542 -3.159 2 2H ALA 1 HT2 ALA 1 -19.146 -3.757 -2.198 3 3H ALA 1 HT3 ALA 1 -18.496 -5.068 -3.062 4 HA ALA 1 HA ALA 1 -17.627 -5.536 -1.010 5 1HB ALA 1 HB1 ALA 1 -15.556 -3.509 -1.711 6 2HB ALA 1 HB2 ALA 1 -15.978 -4.676 -2.965 7 3HB ALA 1 HB3 ALA 1 -15.374 -5.237 -1.404 8 H LYS 2 HN LYS 2 -18.391 -4.867 0.971 9 HA LYS 2 HA LYS 2 -18.956 -2.175 1.736 10 1HB LYS 2 HB2 LYS 2 -19.822 -4.278 2.775 11 2HB LYS 2 HB1 LYS 2 -18.216 -4.576 3.441 12 1HG LYS 2 HG1 LYS 2 -18.332 -2.440 4.675 13 2HG LYS 2 HG2 LYS 2 -19.937 -2.143 4.010 14 1HD LYS 2 HD2 LYS 2 -20.744 -4.238 5.076 15 2HD LYS 2 HD1 LYS 2 -19.145 -4.473 5.785 16 1HE LYS 2 HE1 LYS 2 -19.368 -2.298 6.974 17 2HE LYS 2 HE2 LYS 2 -20.996 -2.113 6.295 18 1HZ LYS 2 HZ1 LYS 2 -20.949 -3.190 8.529 19 2HZ LYS 2 HZ2 LYS 2 -20.097 -4.489 7.841 20 3HZ LYS 2 HZ3 LYS 2 -21.679 -4.140 7.328 21 H THR 3 HN THR 3 -16.088 -4.206 2.193 22 HA THR 3 HA THR 3 -14.426 -1.772 2.519 23 HB THR 3 HB THR 3 -13.388 -2.941 4.576 24 HG1 THR 3 HG1 THR 3 -15.898 -4.168 4.795 25 1HG2 THR 3 HG21 THR 3 -14.645 -1.566 5.878 26 2HG2 THR 3 HG22 THR 3 -16.165 -2.270 5.326 27 3HG2 THR 3 HG23 THR 3 -15.346 -1.056 4.342 28 H ALA 4 HN ALA 4 -12.049 -2.416 2.371 29 HA ALA 4 HA ALA 4 -11.681 -5.105 1.087 30 1HB ALA 4 HB1 ALA 4 -11.523 -2.566 -0.102 31 2HB ALA 4 HB2 ALA 4 -10.923 -4.078 -0.783 32 3HB ALA 4 HB3 ALA 4 -9.846 -3.044 0.156 33 H ALA 5 HN ALA 5 -9.626 -6.098 1.553 34 HA ALA 5 HA ALA 5 -8.365 -5.138 4.048 35 1HB ALA 5 HB1 ALA 5 -7.595 -7.351 4.201 36 2HB ALA 5 HB2 ALA 5 -7.555 -7.555 2.449 37 3HB ALA 5 HB3 ALA 5 -9.098 -7.554 3.303 38 H ALA 6 HN ALA 6 -6.595 -3.828 3.934 39 HA ALA 6 HA ALA 6 -4.981 -3.901 1.402 40 1HB ALA 6 HB1 ALA 6 -5.536 -1.722 1.108 41 2HB ALA 6 HB2 ALA 6 -5.249 -1.336 2.805 42 3HB ALA 6 HB3 ALA 6 -6.795 -2.021 2.307 43 H LEU 7 HN LEU 7 -2.817 -3.980 1.657 44 HA LEU 7 HA LEU 7 -1.589 -3.372 4.324 45 1HB LEU 7 HB1 LEU 7 -0.502 -4.723 1.826 46 2HB LEU 7 HB2 LEU 7 0.350 -4.574 3.362 47 HG LEU 7 HG LEU 7 -2.296 -6.007 2.979 48 1HD1 LEU 7 HD11 LEU 7 -0.818 -7.489 1.989 49 2HD1 LEU 7 HD12 LEU 7 -0.627 -7.962 3.677 50 3HD1 LEU 7 HD13 LEU 7 0.559 -6.900 2.920 51 1HD2 LEU 7 HD21 LEU 7 -0.401 -5.897 5.344 52 2HD2 LEU 7 HD22 LEU 7 -1.927 -6.778 5.273 53 3HD2 LEU 7 HD23 LEU 7 -1.924 -5.015 5.228 54 H HIS 8 HN HIS 8 -0.363 -1.456 4.449 55 HA HIS 8 HA HIS 8 0.241 -0.096 1.835 56 1HB HIS 8 HB1 HIS 8 -0.770 1.109 4.437 57 2HB HIS 8 HB2 HIS 8 -0.286 2.036 3.018 58 HD1 HIS 8 HD1 HIS 8 -3.230 1.986 4.172 59 HD2 HIS 8 HD2 HIS 8 -1.863 -0.248 0.938 60 HE1 HIS 8 HE1 HIS 8 -5.271 1.412 2.786 61 H ILE 9 HN ILE 9 2.338 0.470 1.604 62 HA ILE 9 HA ILE 9 3.965 0.926 4.087 63 HB ILE 9 HB ILE 9 4.845 -0.046 1.349 64 1HG1 ILE 9 HG11 ILE 9 4.792 -1.488 4.015 65 2HG1 ILE 9 HG12 ILE 9 3.611 -1.725 2.725 66 1HG2 ILE 9 HG21 ILE 9 6.579 1.309 2.351 67 2HG2 ILE 9 HG22 ILE 9 7.038 -0.385 2.535 68 3HG2 ILE 9 HG23 ILE 9 6.371 0.502 3.906 69 1HD1 ILE 9 HD11 ILE 9 5.271 -3.462 2.501 70 2HD1 ILE 9 HD12 ILE 9 6.586 -2.292 2.613 71 3HD1 ILE 9 HD13 ILE 9 5.539 -2.309 1.194 72 H LEU 10 HN LEU 10 4.628 3.037 4.258 73 HA LEU 10 HA LEU 10 4.410 4.779 1.836 74 1HB LEU 10 HB2 LEU 10 3.022 5.360 3.784 75 2HB LEU 10 HB1 LEU 10 4.452 5.379 4.814 76 HG LEU 10 HG LEU 10 3.517 7.640 3.856 77 1HD1 LEU 10 HD11 LEU 10 5.730 7.131 5.074 78 2HD1 LEU 10 HD12 LEU 10 5.671 8.590 4.086 79 3HD1 LEU 10 HD13 LEU 10 6.469 7.143 3.473 80 1HD2 LEU 10 HD21 LEU 10 3.431 6.912 1.502 81 2HD2 LEU 10 HD22 LEU 10 5.172 6.630 1.524 82 3HD2 LEU 10 HD23 LEU 10 4.542 8.268 1.700 83 H VAL 11 HN VAL 11 6.341 5.251 0.892 84 HA VAL 11 HA VAL 11 8.828 5.051 2.547 85 HB VAL 11 HB VAL 11 8.714 5.252 -0.456 86 1HG1 VAL 11 HG21 VAL 11 10.707 3.784 -0.236 87 2HG1 VAL 11 HG22 VAL 11 10.519 3.825 1.517 88 3HG1 VAL 11 HG23 VAL 11 10.899 5.305 0.634 89 1HG2 VAL 11 HG11 VAL 11 8.693 2.643 -0.303 90 2HG2 VAL 11 HG12 VAL 11 7.159 3.506 -0.194 91 3HG2 VAL 11 HG13 VAL 11 7.939 2.907 1.270 92 H LYS 12 HN LYS 12 9.826 6.919 3.077 93 HA LYS 12 HA LYS 12 8.995 9.516 2.084 94 1HB LYS 12 HB1 LYS 12 11.315 8.478 3.733 95 2HB LYS 12 HB2 LYS 12 11.058 10.194 3.419 96 1HG LYS 12 HG2 LYS 12 8.809 10.043 4.434 97 2HG LYS 12 HG1 LYS 12 9.070 8.327 4.749 98 1HD LYS 12 HD2 LYS 12 10.990 8.871 6.189 99 2HD LYS 12 HD1 LYS 12 10.760 10.588 5.862 100 1HE LYS 12 HE1 LYS 12 8.233 9.716 6.695 101 2HE LYS 12 HE2 LYS 12 9.367 8.888 7.780 102 1HZ LYS 12 HZ1 LYS 12 8.704 11.289 8.350 103 2HZ LYS 12 HZ2 LYS 12 9.720 11.738 7.065 104 3HZ LYS 12 HZ3 LYS 12 10.353 10.894 8.398 105 H GLU 13 HN GLU 13 11.712 7.324 1.392 106 HA GLU 13 HA GLU 13 12.804 9.302 -0.551 107 1HB GLU 13 HB1 GLU 13 13.871 6.857 0.877 108 2HB GLU 13 HB2 GLU 13 14.799 7.730 -0.341 109 1HG GLU 13 HG1 GLU 13 14.759 9.746 0.959 110 2HG GLU 13 HG2 GLU 13 13.588 9.067 2.089 111 H GLU 14 HN GLU 14 12.881 8.863 -2.728 112 HA GLU 14 HA GLU 14 11.365 6.756 -3.946 113 1HB GLU 14 HB2 GLU 14 13.578 8.604 -4.867 114 2HB GLU 14 HB1 GLU 14 12.773 7.485 -5.967 115 1HG GLU 14 HG1 GLU 14 10.594 8.505 -5.417 116 2HG GLU 14 HG2 GLU 14 11.395 9.628 -4.315 117 H LYS 15 HN LYS 15 14.839 7.059 -3.185 118 HA LYS 15 HA LYS 15 15.813 4.765 -4.517 119 1HB LYS 15 HB1 LYS 15 16.557 6.072 -1.881 120 2HB LYS 15 HB2 LYS 15 17.559 4.865 -2.686 121 1HG LYS 15 HG2 LYS 15 17.711 6.315 -4.678 122 2HG LYS 15 HG1 LYS 15 16.707 7.524 -3.874 123 1HD LYS 15 HD2 LYS 15 18.397 7.735 -2.083 124 2HD LYS 15 HD1 LYS 15 19.398 6.527 -2.887 125 1HE LYS 15 HE1 LYS 15 19.956 7.974 -4.646 126 2HE LYS 15 HE2 LYS 15 18.512 8.976 -4.405 127 1HZ LYS 15 HZ1 LYS 15 19.410 9.605 -2.218 128 2HZ LYS 15 HZ2 LYS 15 20.439 10.088 -3.481 129 3HZ LYS 15 HZ3 LYS 15 20.822 8.724 -2.543 130 H LEU 16 HN LEU 16 14.444 5.042 -1.220 131 HA LEU 16 HA LEU 16 14.785 2.257 -0.560 132 1HB LEU 16 HB2 LEU 16 14.423 4.269 0.962 133 2HB LEU 16 HB1 LEU 16 12.720 4.203 0.503 134 HG LEU 16 HG LEU 16 14.098 1.722 1.500 135 1HD1 LEU 16 HD11 LEU 16 14.361 2.552 3.573 136 2HD1 LEU 16 HD12 LEU 16 12.655 2.994 3.621 137 3HD1 LEU 16 HD13 LEU 16 13.844 4.137 2.997 138 1HD2 LEU 16 HD21 LEU 16 11.996 0.896 1.501 139 2HD2 LEU 16 HD22 LEU 16 11.535 2.335 0.595 140 3HD2 LEU 16 HD23 LEU 16 11.368 2.307 2.350 141 H ALA 17 HN ALA 17 12.074 4.120 -1.939 142 HA ALA 17 HA ALA 17 10.122 2.037 -2.021 143 1HB ALA 17 HB1 ALA 17 10.523 4.096 -4.189 144 2HB ALA 17 HB2 ALA 17 10.046 4.594 -2.566 145 3HB ALA 17 HB3 ALA 17 9.011 3.510 -3.495 146 H LEU 18 HN LEU 18 12.714 2.948 -4.284 147 HA LEU 18 HA LEU 18 12.289 0.867 -6.235 148 1HB LEU 18 HB2 LEU 18 14.288 2.855 -5.442 149 2HB LEU 18 HB1 LEU 18 15.031 1.369 -6.030 150 HG LEU 18 HG LEU 18 13.100 1.669 -7.898 151 1HD1 LEU 18 HD21 LEU 18 12.908 4.040 -8.493 152 2HD1 LEU 18 HD22 LEU 18 13.906 4.487 -7.109 153 3HD1 LEU 18 HD23 LEU 18 12.308 3.785 -6.855 154 1HD2 LEU 18 HD11 LEU 18 15.020 1.615 -9.073 155 2HD2 LEU 18 HD12 LEU 18 15.931 2.178 -7.671 156 3HD2 LEU 18 HD13 LEU 18 15.206 3.343 -8.779 157 H ASP 19 HN ASP 19 14.253 1.065 -3.260 158 HA ASP 19 HA ASP 19 15.318 -1.589 -3.309 159 1HB ASP 19 HB2 ASP 19 16.064 0.284 -1.862 160 2HB ASP 19 HB1 ASP 19 14.532 0.210 -0.992 161 H LEU 20 HN LEU 20 12.291 -0.271 -1.923 162 HA LEU 20 HA LEU 20 11.375 -2.749 -0.780 163 1HB LEU 20 HB1 LEU 20 9.853 -1.272 0.011 164 2HB LEU 20 HB2 LEU 20 10.602 -0.028 -0.984 165 HG LEU 20 HG LEU 20 9.102 -0.727 -2.879 166 1HD1 LEU 20 HD11 LEU 20 7.765 -2.541 -2.723 167 2HD1 LEU 20 HD12 LEU 20 7.166 -2.047 -1.140 168 3HD1 LEU 20 HD13 LEU 20 8.667 -2.963 -1.268 169 1HD2 LEU 20 HD21 LEU 20 8.250 1.158 -1.863 170 2HD2 LEU 20 HD22 LEU 20 8.135 0.385 -0.283 171 3HD2 LEU 20 HD23 LEU 20 6.937 0.031 -1.527 172 H LEU 21 HN LEU 21 10.708 -1.162 -3.901 173 HA LEU 21 HA LEU 21 8.896 -3.034 -4.979 174 1HB LEU 21 HB2 LEU 21 10.951 -1.114 -6.039 175 2HB LEU 21 HB1 LEU 21 10.105 -2.169 -7.170 176 HG LEU 21 HG LEU 21 8.201 -1.051 -5.329 177 1HD1 LEU 21 HD11 LEU 21 9.077 1.006 -4.967 178 2HD1 LEU 21 HD12 LEU 21 8.782 1.314 -6.679 179 3HD1 LEU 21 HD13 LEU 21 10.363 0.744 -6.146 180 1HD2 LEU 21 HD21 LEU 21 7.013 -1.079 -7.249 181 2HD2 LEU 21 HD22 LEU 21 8.454 -1.711 -8.046 182 3HD2 LEU 21 HD23 LEU 21 8.146 0.026 -8.028 183 H GLU 22 HN GLU 22 12.452 -2.949 -5.230 184 HA GLU 22 HA GLU 22 12.805 -5.368 -6.715 185 1HB GLU 22 HB1 GLU 22 14.510 -3.916 -4.665 186 2HB GLU 22 HB2 GLU 22 15.109 -5.190 -5.727 187 1HG GLU 22 HG2 GLU 22 14.468 -3.848 -7.699 188 2HG GLU 22 HG1 GLU 22 13.867 -2.575 -6.638 189 H GLN 23 HN GLN 23 12.590 -4.720 -3.227 190 HA GLN 23 HA GLN 23 13.500 -7.185 -2.249 191 1HB GLN 23 HB2 GLN 23 12.996 -5.021 -1.039 192 2HB GLN 23 HB1 GLN 23 11.291 -5.461 -1.092 193 1HG GLN 23 HG1 GLN 23 12.115 -6.193 1.040 194 2HG GLN 23 HG2 GLN 23 11.941 -7.641 0.048 195 1HE2 GLN 23 HE21 GLN 23 13.782 -8.945 -0.110 196 2HE2 GLN 23 HE22 GLN 23 15.358 -8.446 0.278 197 H ILE 24 HN ILE 24 10.102 -6.250 -2.948 198 HA ILE 24 HA ILE 24 8.957 -8.723 -2.092 199 HB ILE 24 HB ILE 24 8.115 -6.470 -3.919 200 1HG1 ILE 24 HG11 ILE 24 6.501 -6.893 -1.589 201 2HG1 ILE 24 HG12 ILE 24 8.195 -6.909 -1.106 202 1HG2 ILE 24 HG21 ILE 24 5.936 -7.381 -4.125 203 2HG2 ILE 24 HG22 ILE 24 6.243 -8.610 -2.899 204 3HG2 ILE 24 HG23 ILE 24 7.002 -8.735 -4.485 205 1HD1 ILE 24 HD11 ILE 24 7.732 -4.624 -1.040 206 2HD1 ILE 24 HD12 ILE 24 6.603 -4.711 -2.392 207 3HD1 ILE 24 HD13 ILE 24 8.340 -4.794 -2.687 208 H LYS 25 HN LYS 25 9.921 -7.610 -5.365 209 HA LYS 25 HA LYS 25 8.927 -9.867 -6.783 210 1HB LYS 25 HB2 LYS 25 11.226 -7.947 -7.247 211 2HB LYS 25 HB1 LYS 25 10.690 -9.110 -8.461 212 1HG LYS 25 HG1 LYS 25 8.417 -8.144 -8.383 213 2HG LYS 25 HG2 LYS 25 8.953 -6.982 -7.171 214 1HD LYS 25 HD2 LYS 25 10.588 -6.060 -8.774 215 2HD LYS 25 HD1 LYS 25 10.053 -7.223 -9.988 216 1HE LYS 25 HE1 LYS 25 7.865 -6.226 -10.103 217 2HE LYS 25 HE2 LYS 25 8.174 -5.237 -8.663 218 1HZ LYS 25 HZ1 LYS 25 9.540 -3.845 -9.799 219 2HZ LYS 25 HZ2 LYS 25 8.596 -4.342 -11.122 220 3HZ LYS 25 HZ3 LYS 25 10.111 -5.057 -10.840 221 H ASN 26 HN ASN 26 12.147 -9.291 -5.335 222 HA ASN 26 HA ASN 26 13.342 -11.805 -6.037 223 1HB ASN 26 HB2 ASN 26 14.449 -9.742 -5.111 224 2HB ASN 26 HB1 ASN 26 13.723 -10.108 -3.552 225 1HD2 ASN 26 HD21 ASN 26 15.211 -12.325 -5.976 226 2HD2 ASN 26 HD22 ASN 26 16.369 -12.956 -4.907 227 H GLY 27 HN GLY 27 12.118 -10.822 -2.841 228 1HA GLY 27 HA2 GLY 27 11.697 -13.694 -2.224 229 2HA GLY 27 HA1 GLY 27 11.948 -12.411 -1.041 230 H ALA 28 HN ALA 28 10.047 -10.582 -2.232 231 HA ALA 28 HA ALA 28 7.701 -10.197 -2.460 232 1HB ALA 28 HB1 ALA 28 6.186 -12.003 -2.539 233 2HB ALA 28 HB2 ALA 28 7.205 -13.007 -1.506 234 3HB ALA 28 HB3 ALA 28 7.681 -12.691 -3.175 235 H ASP 29 HN ASP 29 5.850 -11.510 -0.539 236 HA ASP 29 HA ASP 29 5.256 -11.446 1.749 237 1HB ASP 29 HB2 ASP 29 8.050 -11.722 1.632 238 2HB ASP 29 HB1 ASP 29 7.764 -10.420 2.792 239 H PHE 30 HN PHE 30 4.188 -9.434 0.563 240 HA PHE 30 HA PHE 30 5.141 -6.787 0.979 241 1HB PHE 30 HB1 PHE 30 2.555 -8.171 0.448 242 2HB PHE 30 HB2 PHE 30 2.457 -6.499 1.004 243 HD1 PHE 30 HD1 PHE 30 3.208 -8.686 -1.791 244 HD2 PHE 30 HD2 PHE 30 3.756 -4.710 -0.247 245 HE1 PHE 30 HE1 PHE 30 3.791 -7.884 -4.063 246 HE2 PHE 30 HE2 PHE 30 4.339 -3.908 -2.522 247 HZ PHE 30 HZ PHE 30 4.356 -5.495 -4.430 248 H GLY 31 HN GLY 31 3.083 -8.852 3.051 249 1HA GLY 31 HA1 GLY 31 2.489 -6.846 4.982 250 2HA GLY 31 HA2 GLY 31 2.409 -8.580 5.280 251 H LYS 32 HN LYS 32 4.948 -9.451 5.153 252 HA LYS 32 HA LYS 32 6.009 -8.616 7.665 253 1HB LYS 32 HB2 LYS 32 7.131 -10.208 5.342 254 2HB LYS 32 HB1 LYS 32 7.931 -10.091 6.909 255 1HG LYS 32 HG1 LYS 32 5.923 -11.013 8.007 256 2HG LYS 32 HG2 LYS 32 5.119 -11.131 6.442 257 1HD LYS 32 HD2 LYS 32 6.879 -12.675 5.657 258 2HD LYS 32 HD1 LYS 32 7.682 -12.557 7.220 259 1HE LYS 32 HE1 LYS 32 5.769 -13.572 8.338 260 2HE LYS 32 HE2 LYS 32 4.835 -13.552 6.829 261 1HZ LYS 32 HZ1 LYS 32 6.808 -14.811 5.859 262 2HZ LYS 32 HZ2 LYS 32 5.790 -15.679 6.905 263 3HZ LYS 32 HZ3 LYS 32 7.286 -15.096 7.461 264 H LEU 33 HN LEU 33 7.016 -7.835 4.330 265 HA LEU 33 HA LEU 33 9.384 -6.370 5.017 266 1HB LEU 33 HB2 LEU 33 7.428 -6.276 2.705 267 2HB LEU 33 HB1 LEU 33 8.939 -5.366 2.717 268 HG LEU 33 HG LEU 33 8.767 -8.371 3.100 269 1HD1 LEU 33 HD11 LEU 33 9.890 -8.239 0.739 270 2HD1 LEU 33 HD12 LEU 33 9.125 -6.651 0.656 271 3HD1 LEU 33 HD13 LEU 33 8.136 -8.098 0.859 272 1HD2 LEU 33 HD21 LEU 33 10.860 -7.991 3.886 273 2HD2 LEU 33 HD22 LEU 33 10.890 -6.344 3.257 274 3HD2 LEU 33 HD23 LEU 33 11.285 -7.699 2.199 275 H ALA 34 HN ALA 34 5.985 -5.389 4.634 276 HA ALA 34 HA ALA 34 6.308 -2.577 4.952 277 1HB ALA 34 HB1 ALA 34 4.284 -4.064 4.288 278 2HB ALA 34 HB2 ALA 34 3.958 -2.624 5.252 279 3HB ALA 34 HB3 ALA 34 4.006 -4.209 6.024 280 H LYS 35 HN LYS 35 5.652 -5.122 7.393 281 HA LYS 35 HA LYS 35 5.455 -3.421 9.644 282 1HB LYS 35 HB1 LYS 35 6.392 -6.278 9.273 283 2HB LYS 35 HB2 LYS 35 6.099 -5.566 10.860 284 1HG LYS 35 HG1 LYS 35 3.775 -5.134 10.293 285 2HG LYS 35 HG2 LYS 35 4.041 -5.668 8.634 286 1HD LYS 35 HD1 LYS 35 3.055 -7.535 9.735 287 2HD LYS 35 HD2 LYS 35 4.775 -7.912 9.646 288 1HE LYS 35 HE1 LYS 35 5.024 -6.965 11.980 289 2HE LYS 35 HE2 LYS 35 3.256 -6.847 12.051 290 1HZ LYS 35 HZ1 LYS 35 3.580 -9.316 11.078 291 2HZ LYS 35 HZ2 LYS 35 3.421 -8.982 12.736 292 3HZ LYS 35 HZ3 LYS 35 4.962 -9.205 12.056 293 H LYS 36 HN LYS 36 8.360 -5.034 8.292 294 HA LYS 36 HA LYS 36 10.147 -4.122 10.358 295 1HB LYS 36 HB2 LYS 36 10.554 -6.037 8.866 296 2HB LYS 36 HB1 LYS 36 10.624 -4.951 7.478 297 1HG LYS 36 HG1 LYS 36 12.565 -3.794 8.481 298 2HG LYS 36 HG2 LYS 36 12.494 -4.882 9.869 299 1HD LYS 36 HD1 LYS 36 13.038 -6.785 8.513 300 2HD LYS 36 HD2 LYS 36 12.808 -5.869 7.023 301 1HE LYS 36 HE2 LYS 36 14.698 -4.318 8.101 302 2HE LYS 36 HE1 LYS 36 15.112 -5.826 8.939 303 1HZ LYS 36 HZ1 LYS 36 15.312 -6.966 6.906 304 2HZ LYS 36 HZ2 LYS 36 16.123 -5.496 6.649 305 3HZ LYS 36 HZ3 LYS 36 14.558 -5.726 6.027 306 H HIS 37 HN HIS 37 9.730 -2.962 6.985 307 HA HIS 37 HA HIS 37 11.628 -0.844 7.275 308 1HB HIS 37 HB1 HIS 37 9.456 -1.562 5.316 309 2HB HIS 37 HB2 HIS 37 10.425 -0.103 5.097 310 HD1 HIS 37 HD1 HIS 37 10.599 -2.667 3.215 311 HD2 HIS 37 HD2 HIS 37 13.229 -1.752 6.318 312 HE1 HIS 37 HE1 HIS 37 12.764 -3.883 2.705 313 H SER 38 HN SER 38 8.064 -0.818 7.500 314 HA SER 38 HA SER 38 7.687 1.980 7.470 315 1HB SER 38 HB1 SER 38 5.983 0.125 7.331 316 2HB SER 38 HB2 SER 38 6.155 -0.092 9.073 317 HG SER 38 HG SER 38 4.672 1.680 7.761 318 H ILE 39 HN ILE 39 8.270 -0.177 10.257 319 HA ILE 39 HA ILE 39 8.730 0.383 12.532 320 HB ILE 39 HB ILE 39 10.806 0.556 11.087 321 1HG1 ILE 39 HG12 ILE 39 10.904 2.541 13.357 322 2HG1 ILE 39 HG11 ILE 39 10.662 0.820 13.659 323 1HG2 ILE 39 HG21 ILE 39 11.652 2.961 10.854 324 2HG2 ILE 39 HG22 ILE 39 9.995 3.470 11.179 325 3HG2 ILE 39 HG23 ILE 39 10.354 2.487 9.759 326 1HD1 ILE 39 HD11 ILE 39 13.065 2.241 12.582 327 2HD1 ILE 39 HD12 ILE 39 12.743 0.604 12.009 328 3HD1 ILE 39 HD13 ILE 39 12.974 0.905 13.731 329 H CYS 40 HN CYS 40 6.507 2.007 11.373 330 HA CYS 40 HA CYS 40 6.916 4.528 12.951 331 1HB CYS 40 HB1 CYS 40 5.776 5.694 11.182 332 2HB CYS 40 HB2 CYS 40 6.966 4.651 10.402 333 HG CYS 40 HG CYS 40 4.607 4.344 9.231 334 HA PRO 41 HA PRO 41 3.277 3.926 15.257 335 1HB PRO 41 HB2 PRO 41 2.038 6.330 14.003 336 2HB PRO 41 HB1 PRO 41 2.321 5.972 15.716 337 1HG PRO 41 HG1 PRO 41 3.827 7.725 14.358 338 2HG PRO 41 HG2 PRO 41 4.489 6.710 15.646 339 1HD PRO 41 HD1 PRO 41 4.839 6.500 12.707 340 2HD PRO 41 HD2 PRO 41 5.942 6.031 14.018 341 H SER 42 HN SER 42 2.726 4.774 11.843 342 HA SER 42 HA SER 42 0.272 3.073 11.821 343 1HB SER 42 HB2 SER 42 0.624 4.062 9.282 344 2HB SER 42 HB1 SER 42 -0.310 4.871 10.540 345 HG SER 42 HG SER 42 1.683 5.891 9.352 346 H GLY 43 HN GLY 43 3.290 2.297 11.938 347 1HA GLY 43 HA1 GLY 43 3.604 0.697 9.492 348 2HA GLY 43 HA2 GLY 43 4.645 0.629 10.918 349 H LYS 44 HN LYS 44 3.042 0.027 12.958 350 HA LYS 44 HA LYS 44 2.356 -2.736 12.680 351 1HB LYS 44 HB2 LYS 44 1.553 -0.582 14.660 352 2HB LYS 44 HB1 LYS 44 1.285 -2.307 14.914 353 1HG LYS 44 HG1 LYS 44 4.003 -1.079 14.371 354 2HG LYS 44 HG2 LYS 44 3.392 -1.442 15.985 355 1HD LYS 44 HD1 LYS 44 3.158 -3.812 15.381 356 2HD LYS 44 HD2 LYS 44 3.719 -3.462 13.746 357 1HE LYS 44 HE2 LYS 44 5.830 -2.475 14.920 358 2HE LYS 44 HE1 LYS 44 5.285 -3.406 16.327 359 1HZ LYS 44 HZ1 LYS 44 5.764 -5.336 15.319 360 2HZ LYS 44 HZ2 LYS 44 6.694 -4.419 14.234 361 3HZ LYS 44 HZ3 LYS 44 5.100 -4.848 13.836 362 H ARG 45 HN ARG 45 0.360 0.229 12.551 363 HA ARG 45 HA ARG 45 -2.058 -1.425 12.064 364 1HB ARG 45 HB2 ARG 45 -2.430 0.229 13.679 365 2HB ARG 45 HB1 ARG 45 -1.419 1.411 12.850 366 1HG ARG 45 HG2 ARG 45 -3.676 2.128 12.527 367 2HG ARG 45 HG1 ARG 45 -3.181 1.413 10.997 368 1HD ARG 45 HD1 ARG 45 -5.308 0.436 11.399 369 2HD ARG 45 HD2 ARG 45 -4.185 -0.800 11.999 370 HE ARG 45 HE ARG 45 -4.705 1.073 14.099 371 1HH1 ARG 45 HH11 ARG 45 -6.228 -1.408 12.235 372 2HH1 ARG 45 HH12 ARG 45 -7.335 -1.847 13.492 373 1HH2 ARG 45 HH21 ARG 45 -6.143 0.506 15.740 374 2HH2 ARG 45 HH22 ARG 45 -7.288 -0.767 15.473 375 H GLY 46 HN GLY 46 -0.233 1.237 10.511 376 1HA GLY 46 HA2 GLY 46 -1.856 1.281 8.125 377 2HA GLY 46 HA1 GLY 46 -0.251 1.993 8.286 378 H GLY 47 HN GLY 47 0.935 -0.586 9.161 379 1HA GLY 47 HA2 GLY 47 1.489 -1.720 6.536 380 2HA GLY 47 HA1 GLY 47 2.106 -2.321 8.066 381 H ASP 48 HN ASP 48 -1.124 -2.016 8.545 382 HA ASP 48 HA ASP 48 -2.194 -4.307 7.141 383 1HB ASP 48 HB2 ASP 48 -0.489 -5.276 8.767 384 2HB ASP 48 HB1 ASP 48 -1.505 -4.664 10.075 385 H LEU 49 HN LEU 49 -3.509 -2.151 7.101 386 HA LEU 49 HA LEU 49 -4.857 -1.246 9.462 387 1HB LEU 49 HB1 LEU 49 -5.342 -0.934 6.485 388 2HB LEU 49 HB2 LEU 49 -6.275 -0.062 7.703 389 HG LEU 49 HG LEU 49 -3.303 0.039 7.954 390 1HD1 LEU 49 HD11 LEU 49 -4.623 1.956 6.067 391 2HD1 LEU 49 HD12 LEU 49 -4.106 0.383 5.458 392 3HD1 LEU 49 HD13 LEU 49 -2.928 1.483 6.174 393 1HD2 LEU 49 HD21 LEU 49 -4.926 1.163 9.511 394 2HD2 LEU 49 HD22 LEU 49 -5.445 2.168 8.158 395 3HD2 LEU 49 HD23 LEU 49 -3.784 2.274 8.750 396 H GLY 50 HN GLY 50 -5.626 -3.740 7.097 397 1HA GLY 50 HA2 GLY 50 -7.151 -5.548 7.633 398 2HA GLY 50 HA1 GLY 50 -7.978 -4.475 8.763 399 H GLU 51 HN GLU 51 -10.045 -4.649 7.853 400 HA GLU 51 HA GLU 51 -10.367 -4.063 4.958 401 1HB GLU 51 HB2 GLU 51 -11.936 -5.351 7.155 402 2HB GLU 51 HB1 GLU 51 -12.818 -4.696 5.775 403 1HG GLU 51 HG2 GLU 51 -12.149 -6.388 4.436 404 2HG GLU 51 HG1 GLU 51 -10.469 -6.211 4.941 405 H PHE 52 HN PHE 52 -11.122 -2.089 4.279 406 HA PHE 52 HA PHE 52 -12.792 -0.456 6.115 407 1HB PHE 52 HB1 PHE 52 -11.260 1.506 5.690 408 2HB PHE 52 HB2 PHE 52 -10.547 0.229 6.671 409 HD1 PHE 52 HD1 PHE 52 -8.382 -0.412 6.139 410 HD2 PHE 52 HD2 PHE 52 -10.933 1.082 3.016 411 HE1 PHE 52 HE1 PHE 52 -6.522 -0.625 4.515 412 HE2 PHE 52 HE2 PHE 52 -9.082 0.854 1.393 413 HZ PHE 52 HZ PHE 52 -6.873 0.009 2.138 414 H ARG 53 HN ARG 53 -13.615 1.513 4.943 415 HA ARG 53 HA ARG 53 -13.334 1.706 2.058 416 1HB ARG 53 HB2 ARG 53 -14.890 -0.075 1.934 417 2HB ARG 53 HB1 ARG 53 -15.792 0.498 3.336 418 1HG ARG 53 HG1 ARG 53 -16.470 2.513 1.991 419 2HG ARG 53 HG2 ARG 53 -15.685 1.788 0.588 420 1HD ARG 53 HD2 ARG 53 -17.217 -0.089 0.616 421 2HD ARG 53 HD1 ARG 53 -17.897 0.432 2.170 422 HE ARG 53 HE ARG 53 -19.129 2.088 1.005 423 1HH1 ARG 53 HH11 ARG 53 -16.527 0.844 -0.899 424 2HH1 ARG 53 HH12 ARG 53 -16.992 1.706 -2.325 425 1HH2 ARG 53 HH21 ARG 53 -19.740 3.216 -0.850 426 2HH2 ARG 53 HH22 ARG 53 -18.807 3.047 -2.299 427 H GLN 54 HN GLN 54 -15.921 2.365 4.407 428 HA GLN 54 HA GLN 54 -16.089 5.212 3.808 429 1HB GLN 54 HB2 GLN 54 -18.038 4.179 4.645 430 2HB GLN 54 HB1 GLN 54 -17.140 3.263 5.855 431 1HG GLN 54 HG2 GLN 54 -16.671 5.299 7.094 432 2HG GLN 54 HG1 GLN 54 -17.487 6.273 5.871 433 1HE2 GLN 54 HE21 GLN 54 -18.277 6.026 8.726 434 2HE2 GLN 54 HE22 GLN 54 -19.847 5.378 8.731 435 H GLY 55 HN GLY 55 -14.900 6.836 4.830 436 1HA GLY 55 HA2 GLY 55 -13.555 7.844 6.507 437 2HA GLY 55 HA1 GLY 55 -13.503 6.297 7.352 438 H GLN 56 HN GLN 56 -12.747 6.300 3.965 439 HA GLN 56 HA GLN 56 -9.817 6.150 4.628 440 1HB GLN 56 HB2 GLN 56 -11.164 4.669 2.368 441 2HB GLN 56 HB1 GLN 56 -9.630 4.301 3.159 442 1HG GLN 56 HG1 GLN 56 -12.414 3.879 4.257 443 2HG GLN 56 HG2 GLN 56 -11.163 2.674 3.981 444 1HE2 GLN 56 HE21 GLN 56 -12.666 3.955 6.483 445 2HE2 GLN 56 HE22 GLN 56 -11.393 4.148 7.596 446 H MET 57 HN MET 57 -11.900 6.274 1.751 447 HA MET 57 HA MET 57 -11.680 7.550 -0.236 448 1HB MET 57 HB2 MET 57 -12.686 9.040 1.481 449 2HB MET 57 HB1 MET 57 -11.071 9.592 1.922 450 1HG MET 57 HG2 MET 57 -10.734 10.455 -0.365 451 2HG MET 57 HG1 MET 57 -12.327 9.859 -0.832 452 1HE MET 57 HE1 MET 57 -14.576 10.868 1.330 453 2HE MET 57 HE2 MET 57 -14.289 10.531 -0.376 454 3HE MET 57 HE3 MET 57 -14.811 12.139 0.121 455 H VAL 58 HN VAL 58 -9.500 9.915 0.919 456 HA VAL 58 HA VAL 58 -7.407 10.570 0.181 457 HB VAL 58 HB VAL 58 -6.853 9.165 2.049 458 1HG1 VAL 58 HG21 VAL 58 -8.001 7.134 1.530 459 2HG1 VAL 58 HG22 VAL 58 -6.283 6.739 1.631 460 3HG1 VAL 58 HG23 VAL 58 -7.055 6.911 0.056 461 1HG2 VAL 58 HG11 VAL 58 -4.968 8.247 -0.112 462 2HG2 VAL 58 HG12 VAL 58 -4.598 8.741 1.538 463 3HG2 VAL 58 HG13 VAL 58 -5.056 9.949 0.339 464 HA PRO 59 HA PRO 59 -7.362 9.868 -4.134 465 1HB PRO 59 HB2 PRO 59 -4.712 10.814 -4.471 466 2HB PRO 59 HB1 PRO 59 -6.201 11.765 -4.603 467 1HG PRO 59 HG1 PRO 59 -4.296 11.529 -2.352 468 2HG PRO 59 HG2 PRO 59 -5.328 12.886 -2.825 469 1HD PRO 59 HD2 PRO 59 -5.864 11.324 -0.681 470 2HD PRO 59 HD1 PRO 59 -7.144 12.074 -1.660 471 H ALA 60 HN ALA 60 -4.257 9.105 -2.491 472 HA ALA 60 HA ALA 60 -3.102 7.310 -4.224 473 1HB ALA 60 HB1 ALA 60 -2.500 8.073 -1.810 474 2HB ALA 60 HB2 ALA 60 -1.988 6.462 -2.314 475 3HB ALA 60 HB3 ALA 60 -3.414 6.656 -1.293 476 H PHE 61 HN PHE 61 -5.937 6.718 -2.190 477 HA PHE 61 HA PHE 61 -6.195 3.896 -2.633 478 1HB PHE 61 HB2 PHE 61 -7.382 5.373 -0.946 479 2HB PHE 61 HB1 PHE 61 -8.380 5.969 -2.273 480 HD1 PHE 61 HD1 PHE 61 -7.163 2.695 -0.891 481 HD2 PHE 61 HD2 PHE 61 -10.411 4.887 -2.660 482 HE1 PHE 61 HE1 PHE 61 -8.619 0.697 -0.690 483 HE2 PHE 61 HE2 PHE 61 -11.870 2.888 -2.458 484 HZ PHE 61 HZ PHE 61 -10.974 0.793 -1.473 485 H ASP 62 HN ASP 62 -7.358 6.729 -4.449 486 HA ASP 62 HA ASP 62 -9.058 5.407 -6.285 487 1HB ASP 62 HB1 ASP 62 -8.898 7.841 -5.936 488 2HB ASP 62 HB2 ASP 62 -7.279 7.839 -6.635 489 H LYS 63 HN LYS 63 -5.547 6.014 -6.457 490 HA LYS 63 HA LYS 63 -5.121 5.326 -9.140 491 1HB LYS 63 HB1 LYS 63 -3.430 5.030 -6.651 492 2HB LYS 63 HB2 LYS 63 -2.785 4.775 -8.272 493 1HG LYS 63 HG1 LYS 63 -3.476 7.061 -8.904 494 2HG LYS 63 HG2 LYS 63 -4.118 7.314 -7.281 495 1HD LYS 63 HD2 LYS 63 -1.931 7.132 -6.301 496 2HD LYS 63 HD1 LYS 63 -1.233 6.565 -7.818 497 1HE LYS 63 HE1 LYS 63 -2.599 9.253 -7.709 498 2HE LYS 63 HE2 LYS 63 -0.916 9.083 -7.178 499 1HZ LYS 63 HZ1 LYS 63 -0.455 9.224 -9.365 500 2HZ LYS 63 HZ2 LYS 63 -2.045 8.860 -9.836 501 3HZ LYS 63 HZ3 LYS 63 -0.967 7.609 -9.438 502 H VAL 64 HN VAL 64 -4.926 3.108 -6.313 503 HA VAL 64 HA VAL 64 -4.496 0.865 -8.189 504 HB VAL 64 HB VAL 64 -3.048 0.941 -6.290 505 1HG1 VAL 64 HG21 VAL 64 -5.583 1.421 -4.726 506 2HG1 VAL 64 HG22 VAL 64 -4.113 2.395 -4.761 507 3HG1 VAL 64 HG23 VAL 64 -4.119 0.836 -3.941 508 1HG2 VAL 64 HG11 VAL 64 -3.465 -1.175 -5.235 509 2HG2 VAL 64 HG12 VAL 64 -4.100 -1.296 -6.876 510 3HG2 VAL 64 HG13 VAL 64 -5.200 -1.043 -5.521 511 H VAL 65 HN VAL 65 -6.998 1.872 -5.828 512 HA VAL 65 HA VAL 65 -8.563 -0.486 -5.859 513 HB VAL 65 HB VAL 65 -8.808 1.683 -4.504 514 1HG1 VAL 65 HG21 VAL 65 -8.882 3.228 -6.417 515 2HG1 VAL 65 HG22 VAL 65 -10.359 3.350 -5.463 516 3HG1 VAL 65 HG23 VAL 65 -10.365 2.463 -6.986 517 1HG2 VAL 65 HG11 VAL 65 -11.448 0.848 -5.667 518 2HG2 VAL 65 HG12 VAL 65 -11.017 1.142 -3.981 519 3HG2 VAL 65 HG13 VAL 65 -10.478 -0.332 -4.786 520 H PHE 66 HN PHE 66 -8.099 1.953 -8.329 521 HA PHE 66 HA PHE 66 -10.242 0.740 -10.021 522 1HB PHE 66 HB1 PHE 66 -10.065 3.231 -9.635 523 2HB PHE 66 HB2 PHE 66 -8.511 3.193 -10.468 524 HD1 PHE 66 HD1 PHE 66 -12.159 2.840 -10.837 525 HD2 PHE 66 HD2 PHE 66 -8.374 2.748 -12.873 526 HE1 PHE 66 HE1 PHE 66 -13.332 2.954 -13.022 527 HE2 PHE 66 HE2 PHE 66 -9.547 2.861 -15.058 528 HZ PHE 66 HZ PHE 66 -12.025 2.964 -15.132 529 H SER 67 HN SER 67 -7.022 0.282 -9.368 530 HA SER 67 HA SER 67 -6.108 -0.048 -12.150 531 1HB SER 67 HB1 SER 67 -4.711 1.022 -10.421 532 2HB SER 67 HB2 SER 67 -4.758 -0.461 -9.470 533 HG SER 67 HG SER 67 -3.423 0.104 -11.853 534 H CYS 68 HN CYS 68 -5.540 -2.149 -9.331 535 HA CYS 68 HA CYS 68 -5.931 -4.509 -11.100 536 1HB CYS 68 HB2 CYS 68 -4.642 -4.033 -8.398 537 2HB CYS 68 HB1 CYS 68 -4.763 -5.630 -9.144 538 HG CYS 68 HG CYS 68 -3.458 -4.371 -11.252 539 HA PRO 69 HA PRO 69 -9.848 -5.507 -9.373 540 1HB PRO 69 HB1 PRO 69 -8.939 -8.329 -9.549 541 2HB PRO 69 HB2 PRO 69 -10.346 -7.552 -10.297 542 1HG PRO 69 HG2 PRO 69 -8.159 -8.248 -11.701 543 2HG PRO 69 HG1 PRO 69 -9.150 -6.841 -12.113 544 1HD PRO 69 HD2 PRO 69 -6.474 -6.962 -10.830 545 2HD PRO 69 HD1 PRO 69 -7.172 -5.716 -11.887 546 H VAL 70 HN VAL 70 -9.088 -4.658 -7.282 547 HA VAL 70 HA VAL 70 -8.070 -4.919 -5.080 548 HB VAL 70 HB VAL 70 -10.062 -5.861 -3.826 549 1HG1 VAL 70 HG11 VAL 70 -11.311 -4.100 -5.791 550 2HG1 VAL 70 HG12 VAL 70 -9.710 -3.535 -5.312 551 3HG1 VAL 70 HG13 VAL 70 -10.954 -3.802 -4.090 552 1HG2 VAL 70 HG21 VAL 70 -10.460 -7.191 -6.258 553 2HG2 VAL 70 HG22 VAL 70 -11.711 -5.948 -6.226 554 3HG2 VAL 70 HG23 VAL 70 -11.595 -7.117 -4.910 555 H LEU 71 HN LEU 71 -6.365 -6.588 -5.971 556 HA LEU 71 HA LEU 71 -6.325 -8.787 -4.054 557 1HB LEU 71 HB2 LEU 71 -7.227 -9.164 -6.844 558 2HB LEU 71 HB1 LEU 71 -6.009 -10.314 -6.306 559 HG LEU 71 HG LEU 71 -7.759 -10.150 -4.144 560 1HD1 LEU 71 HD21 LEU 71 -9.532 -10.669 -6.493 561 2HD1 LEU 71 HD22 LEU 71 -9.229 -8.990 -6.056 562 3HD1 LEU 71 HD23 LEU 71 -9.946 -10.088 -4.882 563 1HD2 LEU 71 HD11 LEU 71 -8.012 -12.425 -4.523 564 2HD2 LEU 71 HD12 LEU 71 -6.582 -12.101 -5.502 565 3HD2 LEU 71 HD13 LEU 71 -8.166 -12.222 -6.268 566 H GLU 72 HN GLU 72 -4.960 -7.699 -7.181 567 HA GLU 72 HA GLU 72 -2.292 -8.709 -6.498 568 1HB GLU 72 HB1 GLU 72 -3.361 -7.001 -8.770 569 2HB GLU 72 HB2 GLU 72 -1.764 -7.751 -8.730 570 1HG GLU 72 HG2 GLU 72 -2.939 -9.982 -8.430 571 2HG GLU 72 HG1 GLU 72 -4.453 -9.145 -8.772 572 HA PRO 73 HA PRO 73 -0.857 -5.050 -4.541 573 1HB PRO 73 HB2 PRO 73 1.829 -5.309 -5.097 574 2HB PRO 73 HB1 PRO 73 0.988 -6.229 -3.836 575 1HG PRO 73 HG1 PRO 73 1.817 -7.062 -6.564 576 2HG PRO 73 HG2 PRO 73 1.756 -8.001 -5.065 577 1HD PRO 73 HD1 PRO 73 -0.107 -8.169 -7.071 578 2HD PRO 73 HD2 PRO 73 -0.433 -8.568 -5.372 579 H THR 74 HN THR 74 -0.479 -2.911 -5.162 580 HA THR 74 HA THR 74 0.525 -2.400 -7.934 581 HB THR 74 HB THR 74 -1.937 -1.214 -6.611 582 HG1 THR 74 HG1 THR 74 -2.675 -3.036 -7.385 583 1HG2 THR 74 HG21 THR 74 -2.274 -0.052 -8.731 584 2HG2 THR 74 HG22 THR 74 -0.816 -0.792 -9.394 585 3HG2 THR 74 HG23 THR 74 -0.693 0.370 -8.073 586 H GLY 75 HN GLY 75 1.922 -0.637 -8.011 587 1HA GLY 75 HA1 GLY 75 2.096 1.747 -6.909 588 2HA GLY 75 HA2 GLY 75 2.383 0.802 -5.448 589 HA PRO 76 HA PRO 76 3.721 1.862 -4.462 590 1HB PRO 76 HB1 PRO 76 5.547 3.889 -4.218 591 2HB PRO 76 HB2 PRO 76 5.844 2.235 -3.648 592 1HG PRO 76 HG2 PRO 76 6.788 3.592 -6.123 593 2HG PRO 76 HG1 PRO 76 7.628 2.435 -5.080 594 1HD PRO 76 HD1 PRO 76 6.475 1.785 -7.481 595 2HD PRO 76 HD2 PRO 76 6.731 0.630 -6.156 596 H LEU 77 HN LEU 77 2.235 3.537 -4.305 597 HA LEU 77 HA LEU 77 1.688 5.088 -6.762 598 1HB LEU 77 HB2 LEU 77 0.259 4.774 -4.100 599 2HB LEU 77 HB1 LEU 77 -0.410 5.593 -5.509 600 HG LEU 77 HG LEU 77 0.470 2.689 -5.441 601 1HD1 LEU 77 HD11 LEU 77 -2.186 2.615 -5.907 602 2HD1 LEU 77 HD12 LEU 77 -2.112 4.066 -4.907 603 3HD1 LEU 77 HD13 LEU 77 -1.503 2.533 -4.283 604 1HD2 LEU 77 HD21 LEU 77 0.692 3.656 -7.664 605 2HD2 LEU 77 HD22 LEU 77 -0.914 4.375 -7.549 606 3HD2 LEU 77 HD23 LEU 77 -0.737 2.623 -7.638 607 H HIS 78 HN HIS 78 1.016 7.477 -6.379 608 HA HIS 78 HA HIS 78 3.105 8.724 -4.644 609 1HB HIS 78 HB1 HIS 78 3.064 9.073 -7.139 610 2HB HIS 78 HB2 HIS 78 1.515 9.897 -6.942 611 HD1 HIS 78 HD1 HIS 78 1.589 12.319 -6.243 612 HD2 HIS 78 HD2 HIS 78 5.260 10.421 -5.695 613 HE1 HIS 78 HE1 HIS 78 3.235 14.122 -5.568 614 H THR 79 HN THR 79 2.426 9.707 -2.826 615 HA THR 79 HA THR 79 -0.158 11.181 -2.844 616 HB THR 79 HB THR 79 -0.548 8.966 -1.787 617 HG1 THR 79 HG1 THR 79 -1.783 10.377 -0.787 618 1HG2 THR 79 HG21 THR 79 0.666 8.730 0.522 619 2HG2 THR 79 HG22 THR 79 1.861 9.807 -0.198 620 3HG2 THR 79 HG23 THR 79 1.514 8.248 -0.946 621 H GLN 80 HN GLN 80 -0.173 12.814 -1.015 622 HA GLN 80 HA GLN 80 2.125 14.428 -1.076 623 1HB GLN 80 HB1 GLN 80 -0.202 15.084 -0.448 624 2HB GLN 80 HB2 GLN 80 0.005 14.247 1.091 625 1HG GLN 80 HG2 GLN 80 1.874 15.732 1.669 626 2HG GLN 80 HG1 GLN 80 1.726 16.545 0.111 627 1HE2 GLN 80 HE21 GLN 80 0.186 16.128 3.279 628 2HE2 GLN 80 HE22 GLN 80 -0.915 17.409 3.109 629 H PHE 81 HN PHE 81 1.174 12.019 1.373 630 HA PHE 81 HA PHE 81 3.194 12.549 3.301 631 1HB PHE 81 HB2 PHE 81 1.761 10.018 2.443 632 2HB PHE 81 HB1 PHE 81 2.730 10.138 3.911 633 HD1 PHE 81 HD1 PHE 81 -0.361 11.217 2.223 634 HD2 PHE 81 HD2 PHE 81 2.002 11.509 5.802 635 HE1 PHE 81 HE1 PHE 81 -2.293 12.219 3.416 636 HE2 PHE 81 HE2 PHE 81 0.071 12.511 6.996 637 HZ PHE 81 HZ PHE 81 -2.076 12.866 5.803 638 H GLY 82 HN GLY 82 3.345 10.853 0.225 639 1HA GLY 82 HA2 GLY 82 5.979 10.872 -0.379 640 2HA GLY 82 HA1 GLY 82 5.945 9.631 0.875 641 H TYR 83 HN TYR 83 6.228 7.757 -0.340 642 HA TYR 83 HA TYR 83 4.477 7.346 -2.721 643 1HB TYR 83 HB1 TYR 83 6.932 5.992 -1.585 644 2HB TYR 83 HB2 TYR 83 6.011 5.295 -2.920 645 HD1 TYR 83 HD1 TYR 83 5.658 6.677 -5.024 646 HD2 TYR 83 HD2 TYR 83 8.451 7.787 -1.949 647 HE1 TYR 83 HE1 TYR 83 6.809 8.194 -6.616 648 HE2 TYR 83 HE2 TYR 83 9.602 9.303 -3.542 649 HH TYR 83 HH TYR 83 8.977 10.559 -5.660 650 H HIS 84 HN HIS 84 2.646 6.190 -2.459 651 HA HIS 84 HA HIS 84 2.344 4.400 -0.080 652 1HB HIS 84 HB2 HIS 84 0.514 6.046 -1.756 653 2HB HIS 84 HB1 HIS 84 -0.111 4.480 -1.259 654 HD1 HIS 84 HD1 HIS 84 -1.606 6.591 0.061 655 HD2 HIS 84 HD2 HIS 84 2.087 5.393 1.579 656 HE1 HIS 84 HE1 HIS 84 -1.567 7.302 2.492 657 H ILE 85 HN ILE 85 2.899 2.311 -0.562 658 HA ILE 85 HA ILE 85 2.103 1.240 -3.244 659 HB ILE 85 HB ILE 85 4.498 1.037 -2.308 660 1HG1 ILE 85 HG12 ILE 85 3.502 -1.721 -2.750 661 2HG1 ILE 85 HG11 ILE 85 3.062 -0.544 -3.988 662 1HG2 ILE 85 HG21 ILE 85 4.918 -0.550 -0.596 663 2HG2 ILE 85 HG22 ILE 85 3.282 -1.200 -0.684 664 3HG2 ILE 85 HG23 ILE 85 3.559 0.399 0.006 665 1HD1 ILE 85 HD11 ILE 85 5.265 -0.162 -4.601 666 2HD1 ILE 85 HD12 ILE 85 5.371 -1.855 -4.115 667 3HD1 ILE 85 HD13 ILE 85 5.891 -0.585 -3.007 668 H ILE 86 HN ILE 86 0.150 0.253 -3.206 669 HA ILE 86 HA ILE 86 -0.898 -0.714 -0.582 670 HB ILE 86 HB ILE 86 -2.172 0.258 -3.157 671 1HG1 ILE 86 HG11 ILE 86 -2.198 1.451 -0.373 672 2HG1 ILE 86 HG12 ILE 86 -1.080 1.947 -1.645 673 1HG2 ILE 86 HG21 ILE 86 -4.080 0.202 -1.091 674 2HG2 ILE 86 HG22 ILE 86 -3.268 -1.362 -1.022 675 3HG2 ILE 86 HG23 ILE 86 -4.032 -0.832 -2.519 676 1HD1 ILE 86 HD11 ILE 86 -3.296 3.290 -1.352 677 2HD1 ILE 86 HD12 ILE 86 -4.053 1.908 -2.147 678 3HD1 ILE 86 HD13 ILE 86 -2.804 2.833 -2.983 679 H LYS 87 HN LYS 87 -1.324 -2.863 -0.339 680 HA LYS 87 HA LYS 87 -1.632 -4.556 -2.798 681 1HB LYS 87 HB2 LYS 87 0.129 -5.360 -1.344 682 2HB LYS 87 HB1 LYS 87 -0.905 -5.199 0.075 683 1HG LYS 87 HG2 LYS 87 -2.379 -6.950 -0.732 684 2HG LYS 87 HG1 LYS 87 -1.503 -7.039 -2.259 685 1HD LYS 87 HD2 LYS 87 0.136 -7.377 0.192 686 2HD LYS 87 HD1 LYS 87 -0.997 -8.681 -0.160 687 1HE LYS 87 HE1 LYS 87 0.790 -7.584 -2.334 688 2HE LYS 87 HE2 LYS 87 1.374 -8.836 -1.222 689 1HZ LYS 87 HZ1 LYS 87 -0.069 -9.361 -3.419 690 2HZ LYS 87 HZ2 LYS 87 -1.310 -9.225 -2.267 691 3HZ LYS 87 HZ3 LYS 87 -0.060 -10.354 -2.045 692 H VAL 88 HN VAL 88 -3.724 -5.147 -3.215 693 HA VAL 88 HA VAL 88 -5.752 -4.588 -1.093 694 HB VAL 88 HB VAL 88 -6.010 -4.853 -4.103 695 1HG1 VAL 88 HG11 VAL 88 -7.826 -3.731 -1.951 696 2HG1 VAL 88 HG12 VAL 88 -8.122 -5.155 -2.950 697 3HG1 VAL 88 HG13 VAL 88 -8.107 -3.552 -3.684 698 1HG2 VAL 88 HG21 VAL 88 -4.717 -2.839 -2.599 699 2HG2 VAL 88 HG22 VAL 88 -6.280 -2.171 -3.068 700 3HG2 VAL 88 HG23 VAL 88 -5.173 -2.772 -4.301 701 H LEU 89 HN LEU 89 -7.202 -6.214 -0.467 702 HA LEU 89 HA LEU 89 -7.238 -8.781 -1.933 703 1HB LEU 89 HB2 LEU 89 -6.563 -8.415 1.010 704 2HB LEU 89 HB1 LEU 89 -6.664 -9.951 0.161 705 HG LEU 89 HG LEU 89 -4.703 -7.724 -0.471 706 1HD1 LEU 89 HD11 LEU 89 -3.153 -9.763 0.291 707 2HD1 LEU 89 HD12 LEU 89 -4.587 -10.181 1.226 708 3HD1 LEU 89 HD13 LEU 89 -3.807 -8.618 1.462 709 1HD2 LEU 89 HD21 LEU 89 -4.216 -10.453 -1.468 710 2HD2 LEU 89 HD22 LEU 89 -4.064 -8.909 -2.306 711 3HD2 LEU 89 HD23 LEU 89 -5.639 -9.687 -2.167 712 H TYR 90 HN TYR 90 -8.792 -10.238 -0.649 713 HA TYR 90 HA TYR 90 -10.819 -10.698 0.449 714 1HB TYR 90 HB2 TYR 90 -9.430 -8.512 1.732 715 2HB TYR 90 HB1 TYR 90 -11.172 -8.310 1.920 716 HD1 TYR 90 HD1 TYR 90 -12.445 -9.770 3.325 717 HD2 TYR 90 HD2 TYR 90 -8.334 -10.659 2.436 718 HE1 TYR 90 HE1 TYR 90 -12.454 -11.545 5.062 719 HE2 TYR 90 HE2 TYR 90 -8.343 -12.432 4.172 720 HH TYR 90 HH TYR 90 -9.666 -13.680 5.519 721 H ARG 91 HN ARG 91 -10.915 -7.170 -0.212 722 HA ARG 91 HA ARG 91 -12.653 -5.861 -1.147 723 1HB ARG 91 HB1 ARG 91 -12.047 -7.446 -3.033 724 2HB ARG 91 HB2 ARG 91 -13.395 -8.458 -2.517 725 1HG ARG 91 HG1 ARG 91 -14.895 -6.446 -2.750 726 2HG ARG 91 HG2 ARG 91 -13.533 -5.578 -3.457 727 1HD ARG 91 HD1 ARG 91 -13.419 -7.148 -5.310 728 2HD ARG 91 HD2 ARG 91 -14.644 -8.186 -4.557 729 HE ARG 91 HE ARG 91 -15.153 -5.656 -5.942 730 1HH1 ARG 91 HH11 ARG 91 -16.177 -7.876 -3.498 731 2HH1 ARG 91 HH12 ARG 91 -17.835 -7.387 -3.568 732 1HH2 ARG 91 HH21 ARG 91 -17.314 -5.010 -6.036 733 2HH2 ARG 91 HH22 ARG 91 -18.480 -5.768 -5.002 734 H ASN 92 HN ASN 92 -13.165 -7.138 1.409 735 HA ASN 92 HA ASN 92 -16.007 -6.808 1.613 736 1HB ASN 92 HB1 ASN 92 -14.936 -9.428 0.829 737 2HB ASN 92 HB2 ASN 92 -16.002 -9.505 2.232 738 1HD2 ASN 92 HD21 ASN 92 -17.804 -7.392 1.593 739 2HD2 ASN 92 HD22 ASN 92 -18.664 -7.813 0.192 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 -18.814 -1.087 -4.149 2 2H ALA 1 HT2 ALA 1 -19.146 -2.752 -4.234 3 3H ALA 1 HT3 ALA 1 -18.018 -2.051 -5.295 4 HA ALA 1 HA ALA 1 -17.166 -3.356 -3.233 5 1HB ALA 1 HB1 ALA 1 -16.178 -0.578 -3.946 6 2HB ALA 1 HB2 ALA 1 -15.942 -1.995 -4.968 7 3HB ALA 1 HB3 ALA 1 -15.203 -1.928 -3.368 8 H LYS 2 HN LYS 2 -19.022 -3.031 -1.601 9 HA LYS 2 HA LYS 2 -19.354 -0.650 -0.078 10 1HB LYS 2 HB2 LYS 2 -20.782 -2.740 -0.170 11 2HB LYS 2 HB1 LYS 2 -19.581 -3.526 0.854 12 1HG LYS 2 HG1 LYS 2 -19.937 -1.828 2.598 13 2HG LYS 2 HG2 LYS 2 -21.107 -1.002 1.570 14 1HD LYS 2 HD2 LYS 2 -22.475 -3.104 1.534 15 2HD LYS 2 HD1 LYS 2 -21.346 -3.811 2.690 16 1HE LYS 2 HE1 LYS 2 -21.854 -1.643 4.098 17 2HE LYS 2 HE2 LYS 2 -23.316 -1.572 3.096 18 1HZ LYS 2 HZ1 LYS 2 -23.530 -2.962 5.154 19 2HZ LYS 2 HZ2 LYS 2 -22.391 -4.030 4.487 20 3HZ LYS 2 HZ3 LYS 2 -23.883 -3.785 3.713 21 H THR 3 HN THR 3 -17.129 -3.393 0.343 22 HA THR 3 HA THR 3 -15.451 -1.665 2.114 23 HB THR 3 HB THR 3 -15.190 -3.611 3.640 24 HG1 THR 3 HG1 THR 3 -15.858 -5.049 1.771 25 1HG2 THR 3 HG21 THR 3 -17.308 -3.405 4.717 26 2HG2 THR 3 HG22 THR 3 -18.128 -3.064 3.193 27 3HG2 THR 3 HG23 THR 3 -17.037 -1.869 3.895 28 H ALA 4 HN ALA 4 -13.180 -2.344 2.121 29 HA ALA 4 HA ALA 4 -12.442 -4.369 0.050 30 1HB ALA 4 HB1 ALA 4 -11.408 -1.530 0.349 31 2HB ALA 4 HB2 ALA 4 -12.434 -2.126 -0.956 32 3HB ALA 4 HB3 ALA 4 -10.779 -2.715 -0.796 33 H ALA 5 HN ALA 5 -10.562 -5.513 0.570 34 HA ALA 5 HA ALA 5 -9.323 -4.994 3.234 35 1HB ALA 5 HB1 ALA 5 -8.165 -7.245 2.338 36 2HB ALA 5 HB2 ALA 5 -9.595 -7.266 1.308 37 3HB ALA 5 HB3 ALA 5 -9.773 -7.264 3.062 38 H ALA 6 HN ALA 6 -7.317 -4.003 3.302 39 HA ALA 6 HA ALA 6 -5.706 -3.897 0.787 40 1HB ALA 6 HB1 ALA 6 -5.691 -1.310 1.654 41 2HB ALA 6 HB2 ALA 6 -7.302 -1.824 2.155 42 3HB ALA 6 HB3 ALA 6 -6.827 -1.941 0.463 43 H LEU 7 HN LEU 7 -3.526 -3.913 1.154 44 HA LEU 7 HA LEU 7 -2.532 -3.466 3.954 45 1HB LEU 7 HB1 LEU 7 -1.332 -4.929 1.575 46 2HB LEU 7 HB2 LEU 7 -0.597 -4.816 3.177 47 HG LEU 7 HG LEU 7 -3.300 -6.055 2.568 48 1HD1 LEU 7 HD11 LEU 7 -2.167 -7.949 2.132 49 2HD1 LEU 7 HD12 LEU 7 -1.431 -7.870 3.732 50 3HD1 LEU 7 HD13 LEU 7 -0.640 -7.096 2.359 51 1HD2 LEU 7 HD21 LEU 7 -2.930 -6.882 4.987 52 2HD2 LEU 7 HD22 LEU 7 -3.397 -5.194 4.771 53 3HD2 LEU 7 HD23 LEU 7 -1.714 -5.609 5.097 54 H HIS 8 HN HIS 8 -0.720 -1.989 4.192 55 HA HIS 8 HA HIS 8 -0.099 -0.367 1.740 56 1HB HIS 8 HB1 HIS 8 -0.899 0.602 4.506 57 2HB HIS 8 HB2 HIS 8 -0.373 1.647 3.188 58 HD1 HIS 8 HD1 HIS 8 -2.269 2.648 1.965 59 HD2 HIS 8 HD2 HIS 8 -3.250 -1.130 3.431 60 HE1 HIS 8 HE1 HIS 8 -4.676 2.228 1.309 61 H ILE 9 HN ILE 9 1.970 0.445 1.628 62 HA ILE 9 HA ILE 9 3.647 0.392 4.090 63 HB ILE 9 HB ILE 9 4.541 -0.444 1.314 64 1HG1 ILE 9 HG11 ILE 9 4.426 -2.068 3.862 65 2HG1 ILE 9 HG12 ILE 9 3.187 -2.130 2.606 66 1HG2 ILE 9 HG21 ILE 9 6.700 -0.924 2.447 67 2HG2 ILE 9 HG22 ILE 9 6.055 -0.209 3.924 68 3HG2 ILE 9 HG23 ILE 9 6.287 0.792 2.490 69 1HD1 ILE 9 HD11 ILE 9 4.474 -3.773 1.699 70 2HD1 ILE 9 HD12 ILE 9 5.893 -3.302 2.636 71 3HD1 ILE 9 HD13 ILE 9 5.498 -2.449 1.143 72 H LEU 10 HN LEU 10 4.514 2.405 4.410 73 HA LEU 10 HA LEU 10 4.339 4.383 2.177 74 1HB LEU 10 HB2 LEU 10 3.247 4.564 4.560 75 2HB LEU 10 HB1 LEU 10 4.879 4.987 5.081 76 HG LEU 10 HG LEU 10 3.100 6.448 3.124 77 1HD1 LEU 10 HD11 LEU 10 4.742 7.488 5.441 78 2HD1 LEU 10 HD12 LEU 10 3.088 6.909 5.632 79 3HD1 LEU 10 HD13 LEU 10 3.421 8.299 4.601 80 1HD2 LEU 10 HD21 LEU 10 6.097 6.689 3.497 81 2HD2 LEU 10 HD22 LEU 10 5.109 7.923 2.714 82 3HD2 LEU 10 HD23 LEU 10 5.236 6.314 2.004 83 H VAL 11 HN VAL 11 6.271 4.791 1.161 84 HA VAL 11 HA VAL 11 8.814 4.348 2.684 85 HB VAL 11 HB VAL 11 8.573 4.829 -0.282 86 1HG1 VAL 11 HG21 VAL 11 10.419 2.792 0.486 87 2HG1 VAL 11 HG22 VAL 11 10.651 4.169 1.562 88 3HG1 VAL 11 HG23 VAL 11 10.770 4.385 -0.185 89 1HG2 VAL 11 HG11 VAL 11 6.938 3.069 0.225 90 2HG2 VAL 11 HG12 VAL 11 8.144 2.200 1.174 91 3HG2 VAL 11 HG13 VAL 11 8.348 2.367 -0.570 92 H LYS 12 HN LYS 12 9.913 6.127 3.332 93 HA LYS 12 HA LYS 12 9.079 8.833 2.717 94 1HB LYS 12 HB1 LYS 12 11.520 7.569 3.999 95 2HB LYS 12 HB2 LYS 12 11.269 9.311 3.933 96 1HG LYS 12 HG2 LYS 12 9.202 7.431 5.087 97 2HG LYS 12 HG1 LYS 12 10.485 8.133 6.070 98 1HD LYS 12 HD2 LYS 12 9.708 10.407 5.125 99 2HD LYS 12 HD1 LYS 12 8.256 9.552 4.609 100 1HE LYS 12 HE1 LYS 12 9.113 9.105 7.431 101 2HE LYS 12 HE2 LYS 12 8.444 10.702 7.044 102 1HZ LYS 12 HZ1 LYS 12 6.555 9.634 6.001 103 2HZ LYS 12 HZ2 LYS 12 6.700 9.079 7.600 104 3HZ LYS 12 HZ3 LYS 12 7.204 8.097 6.308 105 H GLU 13 HN GLU 13 11.737 6.738 1.597 106 HA GLU 13 HA GLU 13 12.638 8.909 -0.241 107 1HB GLU 13 HB1 GLU 13 13.910 6.427 0.936 108 2HB GLU 13 HB2 GLU 13 14.714 7.435 -0.268 109 1HG GLU 13 HG1 GLU 13 14.658 9.350 1.194 110 2HG GLU 13 HG2 GLU 13 13.618 8.509 2.342 111 H GLU 14 HN GLU 14 12.725 8.581 -2.447 112 HA GLU 14 HA GLU 14 11.164 6.557 -3.745 113 1HB GLU 14 HB2 GLU 14 13.374 8.436 -4.609 114 2HB GLU 14 HB1 GLU 14 12.532 7.391 -5.752 115 1HG GLU 14 HG1 GLU 14 10.380 8.401 -5.107 116 2HG GLU 14 HG2 GLU 14 11.205 9.438 -3.942 117 H LYS 15 HN LYS 15 14.708 6.858 -3.304 118 HA LYS 15 HA LYS 15 15.469 4.492 -4.673 119 1HB LYS 15 HB1 LYS 15 16.625 6.014 -2.323 120 2HB LYS 15 HB2 LYS 15 17.491 4.712 -3.140 121 1HG LYS 15 HG2 LYS 15 17.312 5.934 -5.279 122 2HG LYS 15 HG1 LYS 15 16.447 7.236 -4.461 123 1HD LYS 15 HD2 LYS 15 18.405 7.628 -3.010 124 2HD LYS 15 HD1 LYS 15 19.270 6.326 -3.825 125 1HE LYS 15 HE1 LYS 15 19.241 7.542 -5.931 126 2HE LYS 15 HE2 LYS 15 18.188 8.791 -5.239 127 1HZ LYS 15 HZ1 LYS 15 20.640 9.312 -5.207 128 2HZ LYS 15 HZ2 LYS 15 20.822 8.057 -4.076 129 3HZ LYS 15 HZ3 LYS 15 19.864 9.408 -3.701 130 H LEU 16 HN LEU 16 14.547 4.980 -1.263 131 HA LEU 16 HA LEU 16 15.044 2.267 -0.420 132 1HB LEU 16 HB2 LEU 16 14.731 4.466 0.911 133 2HB LEU 16 HB1 LEU 16 12.999 4.181 0.719 134 HG LEU 16 HG LEU 16 14.499 1.811 1.608 135 1HD1 LEU 16 HD11 LEU 16 15.578 3.949 2.715 136 2HD1 LEU 16 HD12 LEU 16 15.187 2.547 3.711 137 3HD1 LEU 16 HD13 LEU 16 14.106 3.941 3.687 138 1HD2 LEU 16 HD21 LEU 16 12.602 1.840 3.289 139 2HD2 LEU 16 HD22 LEU 16 12.090 1.807 1.602 140 3HD2 LEU 16 HD23 LEU 16 12.030 3.316 2.512 141 H ALA 17 HN ALA 17 12.172 3.970 -1.657 142 HA ALA 17 HA ALA 17 10.274 1.838 -1.431 143 1HB ALA 17 HB1 ALA 17 9.101 3.141 -3.170 144 2HB ALA 17 HB2 ALA 17 10.588 4.020 -3.523 145 3HB ALA 17 HB3 ALA 17 9.793 4.221 -1.961 146 H LEU 18 HN LEU 18 12.570 2.712 -4.027 147 HA LEU 18 HA LEU 18 11.928 0.593 -5.853 148 1HB LEU 18 HB2 LEU 18 13.866 2.683 -5.467 149 2HB LEU 18 HB1 LEU 18 14.717 1.197 -5.888 150 HG LEU 18 HG LEU 18 12.383 1.428 -7.550 151 1HD1 LEU 18 HD21 LEU 18 13.548 3.956 -6.859 152 2HD1 LEU 18 HD22 LEU 18 12.249 3.625 -8.006 153 3HD1 LEU 18 HD23 LEU 18 13.928 3.601 -8.545 154 1HD2 LEU 18 HD11 LEU 18 15.376 1.478 -7.964 155 2HD2 LEU 18 HD12 LEU 18 14.246 1.564 -9.315 156 3HD2 LEU 18 HD13 LEU 18 14.257 0.148 -8.264 157 H ASP 19 HN ASP 19 14.239 0.792 -3.147 158 HA ASP 19 HA ASP 19 15.407 -1.793 -3.423 159 1HB ASP 19 HB2 ASP 19 16.239 0.040 -1.996 160 2HB ASP 19 HB1 ASP 19 14.813 -0.105 -0.969 161 H LEU 20 HN LEU 20 12.494 -0.714 -1.657 162 HA LEU 20 HA LEU 20 11.875 -3.262 -0.483 163 1HB LEU 20 HB1 LEU 20 10.316 -1.937 0.490 164 2HB LEU 20 HB2 LEU 20 10.941 -0.609 -0.481 165 HG LEU 20 HG LEU 20 9.329 -1.293 -2.304 166 1HD1 LEU 20 HD11 LEU 20 7.513 -2.685 -0.535 167 2HD1 LEU 20 HD12 LEU 20 9.042 -3.557 -0.643 168 3HD1 LEU 20 HD13 LEU 20 8.129 -3.191 -2.108 169 1HD2 LEU 20 HD21 LEU 20 8.797 0.563 -0.816 170 2HD2 LEU 20 HD22 LEU 20 8.191 -0.555 0.406 171 3HD2 LEU 20 HD23 LEU 20 7.336 -0.375 -1.126 172 H LEU 21 HN LEU 21 10.770 -1.699 -3.495 173 HA LEU 21 HA LEU 21 8.947 -3.676 -4.355 174 1HB LEU 21 HB2 LEU 21 10.737 -1.666 -5.710 175 2HB LEU 21 HB1 LEU 21 9.697 -2.719 -6.666 176 HG LEU 21 HG LEU 21 8.211 -1.610 -4.449 177 1HD1 LEU 21 HD11 LEU 21 8.786 0.568 -4.440 178 2HD1 LEU 21 HD12 LEU 21 8.665 0.651 -6.198 179 3HD1 LEU 21 HD13 LEU 21 10.175 0.155 -5.442 180 1HD2 LEU 21 HD21 LEU 21 6.598 -1.502 -6.058 181 2HD2 LEU 21 HD22 LEU 21 7.738 -2.460 -7.004 182 3HD2 LEU 21 HD23 LEU 21 7.669 -0.709 -7.214 183 H GLU 22 HN GLU 22 12.426 -3.365 -5.181 184 HA GLU 22 HA GLU 22 12.619 -5.719 -6.775 185 1HB GLU 22 HB1 GLU 22 14.305 -3.922 -6.643 186 2HB GLU 22 HB2 GLU 22 14.656 -4.368 -4.972 187 1HG GLU 22 HG2 GLU 22 15.358 -6.615 -5.720 188 2HG GLU 22 HG1 GLU 22 15.008 -6.169 -7.390 189 H GLN 23 HN GLN 23 12.894 -5.246 -3.268 190 HA GLN 23 HA GLN 23 14.017 -7.733 -2.556 191 1HB GLN 23 HB2 GLN 23 13.624 -5.662 -1.158 192 2HB GLN 23 HB1 GLN 23 11.931 -6.136 -1.040 193 1HG GLN 23 HG1 GLN 23 13.034 -6.963 0.933 194 2HG GLN 23 HG2 GLN 23 12.722 -8.355 -0.104 195 1HE2 GLN 23 HE21 GLN 23 14.518 -9.647 -0.574 196 2HE2 GLN 23 HE22 GLN 23 16.135 -9.169 -0.370 197 H ILE 24 HN ILE 24 10.583 -6.863 -3.032 198 HA ILE 24 HA ILE 24 9.473 -9.311 -2.088 199 HB ILE 24 HB ILE 24 8.580 -7.179 -4.040 200 1HG1 ILE 24 HG11 ILE 24 7.115 -7.586 -1.550 201 2HG1 ILE 24 HG12 ILE 24 8.828 -7.289 -1.276 202 1HG2 ILE 24 HG21 ILE 24 7.499 -9.774 -3.866 203 2HG2 ILE 24 HG22 ILE 24 6.733 -8.360 -4.586 204 3HG2 ILE 24 HG23 ILE 24 6.431 -8.762 -2.896 205 1HD1 ILE 24 HD11 ILE 24 7.950 -5.116 -1.342 206 2HD1 ILE 24 HD12 ILE 24 6.794 -5.521 -2.612 207 3HD1 ILE 24 HD13 ILE 24 8.506 -5.347 -3.001 208 H LYS 25 HN LYS 25 10.491 -8.349 -5.389 209 HA LYS 25 HA LYS 25 9.676 -10.739 -6.720 210 1HB LYS 25 HB2 LYS 25 10.317 -8.736 -7.910 211 2HB LYS 25 HB1 LYS 25 11.906 -8.728 -7.144 212 1HG LYS 25 HG1 LYS 25 12.458 -10.841 -8.244 213 2HG LYS 25 HG2 LYS 25 10.868 -10.885 -9.004 214 1HD LYS 25 HD2 LYS 25 11.357 -8.815 -10.215 215 2HD LYS 25 HD1 LYS 25 12.917 -8.680 -9.402 216 1HE LYS 25 HE1 LYS 25 13.547 -10.914 -10.411 217 2HE LYS 25 HE2 LYS 25 12.051 -10.836 -11.361 218 1HZ LYS 25 HZ1 LYS 25 12.734 -8.786 -12.323 219 2HZ LYS 25 HZ2 LYS 25 14.053 -9.847 -12.474 220 3HZ LYS 25 HZ3 LYS 25 14.058 -8.646 -11.272 221 H ASN 26 HN ASN 26 12.744 -9.835 -5.127 222 HA ASN 26 HA ASN 26 14.129 -12.325 -5.475 223 1HB ASN 26 HB2 ASN 26 15.123 -10.189 -4.709 224 2HB ASN 26 HB1 ASN 26 14.173 -10.279 -3.232 225 1HD2 ASN 26 HD21 ASN 26 16.394 -12.481 -5.076 226 2HD2 ASN 26 HD22 ASN 26 17.205 -13.039 -3.694 227 H GLY 27 HN GLY 27 12.649 -11.121 -2.471 228 1HA GLY 27 HA2 GLY 27 12.336 -13.943 -1.620 229 2HA GLY 27 HA1 GLY 27 12.473 -12.551 -0.548 230 H ALA 28 HN ALA 28 10.499 -10.946 -1.948 231 HA ALA 28 HA ALA 28 8.120 -10.712 -2.160 232 1HB ALA 28 HB1 ALA 28 6.861 -12.590 -2.401 233 2HB ALA 28 HB2 ALA 28 7.472 -13.292 -0.903 234 3HB ALA 28 HB3 ALA 28 8.414 -13.426 -2.387 235 H ASP 29 HN ASP 29 6.282 -11.661 -0.185 236 HA ASP 29 HA ASP 29 5.695 -11.451 2.104 237 1HB ASP 29 HB2 ASP 29 8.419 -11.969 2.051 238 2HB ASP 29 HB1 ASP 29 8.306 -10.495 3.020 239 H PHE 30 HN PHE 30 4.634 -9.503 0.956 240 HA PHE 30 HA PHE 30 5.742 -6.872 1.102 241 1HB PHE 30 HB1 PHE 30 3.169 -8.209 0.623 242 2HB PHE 30 HB2 PHE 30 2.994 -6.603 1.331 243 HD1 PHE 30 HD1 PHE 30 4.774 -8.426 -1.435 244 HD2 PHE 30 HD2 PHE 30 3.183 -4.693 -0.011 245 HE1 PHE 30 HE1 PHE 30 5.246 -7.384 -3.634 246 HE2 PHE 30 HE2 PHE 30 3.657 -3.653 -2.213 247 HZ PHE 30 HZ PHE 30 4.689 -4.999 -4.025 248 H GLY 31 HN GLY 31 3.704 -8.693 3.410 249 1HA GLY 31 HA1 GLY 31 3.255 -6.576 5.236 250 2HA GLY 31 HA2 GLY 31 3.224 -8.284 5.671 251 H LYS 32 HN LYS 32 5.892 -8.982 5.170 252 HA LYS 32 HA LYS 32 7.154 -8.163 7.594 253 1HB LYS 32 HB2 LYS 32 8.135 -9.463 5.037 254 2HB LYS 32 HB1 LYS 32 9.139 -9.311 6.480 255 1HG LYS 32 HG1 LYS 32 6.390 -10.561 6.585 256 2HG LYS 32 HG2 LYS 32 7.823 -11.512 6.196 257 1HD LYS 32 HD2 LYS 32 8.856 -10.909 8.316 258 2HD LYS 32 HD1 LYS 32 7.526 -9.812 8.691 259 1HE LYS 32 HE1 LYS 32 6.299 -11.523 9.537 260 2HE LYS 32 HE2 LYS 32 6.516 -12.465 8.049 261 1HZ LYS 32 HZ1 LYS 32 8.615 -12.133 10.130 262 2HZ LYS 32 HZ2 LYS 32 8.661 -13.169 8.785 263 3HZ LYS 32 HZ3 LYS 32 7.576 -13.472 10.057 264 H LEU 33 HN LEU 33 7.598 -7.073 4.224 265 HA LEU 33 HA LEU 33 9.786 -5.273 4.709 266 1HB LEU 33 HB2 LEU 33 7.523 -5.363 2.700 267 2HB LEU 33 HB1 LEU 33 8.857 -4.213 2.592 268 HG LEU 33 HG LEU 33 9.247 -7.213 2.755 269 1HD1 LEU 33 HD11 LEU 33 8.170 -6.922 0.686 270 2HD1 LEU 33 HD12 LEU 33 9.879 -6.805 0.267 271 3HD1 LEU 33 HD13 LEU 33 8.906 -5.341 0.424 272 1HD2 LEU 33 HD21 LEU 33 11.277 -5.507 1.496 273 2HD2 LEU 33 HD22 LEU 33 11.468 -6.760 2.722 274 3HD2 LEU 33 HD23 LEU 33 11.009 -5.125 3.196 275 H ALA 34 HN ALA 34 6.246 -4.832 4.874 276 HA ALA 34 HA ALA 34 6.181 -2.023 5.214 277 1HB ALA 34 HB1 ALA 34 3.966 -2.432 6.019 278 2HB ALA 34 HB2 ALA 34 4.406 -4.033 6.617 279 3HB ALA 34 HB3 ALA 34 4.305 -3.736 4.880 280 H LYS 35 HN LYS 35 6.344 -4.570 7.738 281 HA LYS 35 HA LYS 35 6.420 -2.829 9.988 282 1HB LYS 35 HB1 LYS 35 6.077 -5.278 10.029 283 2HB LYS 35 HB2 LYS 35 7.744 -5.521 9.509 284 1HG LYS 35 HG1 LYS 35 8.548 -4.401 11.556 285 2HG LYS 35 HG2 LYS 35 6.881 -4.156 12.078 286 1HD LYS 35 HD1 LYS 35 6.531 -6.607 12.084 287 2HD LYS 35 HD2 LYS 35 8.206 -6.842 11.586 288 1HE LYS 35 HE1 LYS 35 7.497 -5.291 14.090 289 2HE LYS 35 HE2 LYS 35 7.751 -7.046 14.108 290 1HZ LYS 35 HZ1 LYS 35 9.668 -4.911 13.738 291 2HZ LYS 35 HZ2 LYS 35 9.812 -6.163 12.598 292 3HZ LYS 35 HZ3 LYS 35 9.916 -6.505 14.259 293 H LYS 36 HN LYS 36 9.134 -4.273 8.148 294 HA LYS 36 HA LYS 36 11.199 -3.029 9.708 295 1HB LYS 36 HB2 LYS 36 11.303 -5.085 8.262 296 2HB LYS 36 HB1 LYS 36 11.253 -4.033 6.849 297 1HG LYS 36 HG1 LYS 36 13.319 -2.924 7.580 298 2HG LYS 36 HG2 LYS 36 13.363 -3.936 9.027 299 1HD LYS 36 HD1 LYS 36 13.464 -5.954 7.558 300 2HD LYS 36 HD2 LYS 36 13.535 -4.893 6.151 301 1HE LYS 36 HE2 LYS 36 15.575 -3.801 7.381 302 2HE LYS 36 HE1 LYS 36 15.604 -5.317 8.303 303 1HZ LYS 36 HZ1 LYS 36 16.135 -6.519 6.479 304 2HZ LYS 36 HZ2 LYS 36 16.743 -5.041 5.904 305 3HZ LYS 36 HZ3 LYS 36 15.199 -5.568 5.432 306 H HIS 37 HN HIS 37 9.760 -2.133 6.561 307 HA HIS 37 HA HIS 37 11.601 0.064 6.136 308 1HB HIS 37 HB1 HIS 37 9.077 -0.968 4.835 309 2HB HIS 37 HB2 HIS 37 9.907 0.464 4.228 310 HD1 HIS 37 HD1 HIS 37 11.522 -0.079 2.418 311 HD2 HIS 37 HD2 HIS 37 11.178 -3.220 5.138 312 HE1 HIS 37 HE1 HIS 37 13.056 -1.916 1.589 313 H SER 38 HN SER 38 8.088 -0.050 6.838 314 HA SER 38 HA SER 38 7.613 2.715 6.736 315 1HB SER 38 HB1 SER 38 6.335 0.447 8.278 316 2HB SER 38 HB2 SER 38 5.616 2.055 8.176 317 HG SER 38 HG SER 38 4.843 1.409 6.350 318 H ILE 39 HN ILE 39 8.592 0.742 9.546 319 HA ILE 39 HA ILE 39 9.090 1.414 11.769 320 HB ILE 39 HB ILE 39 11.076 1.901 10.280 321 1HG1 ILE 39 HG12 ILE 39 12.186 3.404 11.957 322 2HG1 ILE 39 HG11 ILE 39 10.611 3.661 12.705 323 1HG2 ILE 39 HG21 ILE 39 11.464 4.477 10.078 324 2HG2 ILE 39 HG22 ILE 39 9.711 4.584 10.226 325 3HG2 ILE 39 HG23 ILE 39 10.429 3.678 8.896 326 1HD1 ILE 39 HD11 ILE 39 11.621 0.865 12.240 327 2HD1 ILE 39 HD12 ILE 39 10.448 1.435 13.426 328 3HD1 ILE 39 HD13 ILE 39 12.164 1.779 13.648 329 H CYS 40 HN CYS 40 6.630 2.649 10.570 330 HA CYS 40 HA CYS 40 6.580 5.191 12.166 331 1HB CYS 40 HB1 CYS 40 5.138 6.074 10.443 332 2HB CYS 40 HB2 CYS 40 6.498 5.307 9.619 333 HG CYS 40 HG CYS 40 4.829 3.900 8.467 334 HA PRO 41 HA PRO 41 3.334 3.691 14.652 335 1HB PRO 41 HB2 PRO 41 1.389 5.702 14.142 336 2HB PRO 41 HB1 PRO 41 2.560 5.663 15.469 337 1HG PRO 41 HG1 PRO 41 2.621 7.171 12.945 338 2HG PRO 41 HG2 PRO 41 3.416 7.513 14.485 339 1HD PRO 41 HD1 PRO 41 4.734 6.635 12.266 340 2HD PRO 41 HD2 PRO 41 5.289 6.323 13.924 341 H SER 42 HN SER 42 2.746 4.429 11.299 342 HA SER 42 HA SER 42 0.339 2.648 11.301 343 1HB SER 42 HB2 SER 42 0.557 3.750 8.788 344 2HB SER 42 HB1 SER 42 -0.398 4.439 10.101 345 HG SER 42 HG SER 42 1.164 5.883 9.101 346 H GLY 43 HN GLY 43 3.444 2.097 11.233 347 1HA GLY 43 HA1 GLY 43 3.689 0.561 8.734 348 2HA GLY 43 HA2 GLY 43 4.851 0.570 10.062 349 H LYS 44 HN LYS 44 3.404 -0.158 12.221 350 HA LYS 44 HA LYS 44 3.038 -2.981 11.993 351 1HB LYS 44 HB2 LYS 44 3.521 -1.709 14.068 352 2HB LYS 44 HB1 LYS 44 1.916 -0.980 13.983 353 1HG LYS 44 HG1 LYS 44 0.890 -3.220 14.141 354 2HG LYS 44 HG2 LYS 44 2.493 -3.949 14.224 355 1HD LYS 44 HD1 LYS 44 2.957 -2.676 16.295 356 2HD LYS 44 HD2 LYS 44 1.342 -1.971 16.215 357 1HE LYS 44 HE2 LYS 44 1.076 -3.811 17.698 358 2HE LYS 44 HE1 LYS 44 0.519 -4.456 16.143 359 1HZ LYS 44 HZ1 LYS 44 3.307 -4.687 16.214 360 2HZ LYS 44 HZ2 LYS 44 2.160 -5.940 16.233 361 3HZ LYS 44 HZ3 LYS 44 2.729 -5.285 17.693 362 H ARG 45 HN ARG 45 0.712 -0.278 11.898 363 HA ARG 45 HA ARG 45 -1.529 -2.176 11.519 364 1HB ARG 45 HB2 ARG 45 -1.957 -0.483 13.102 365 2HB ARG 45 HB1 ARG 45 -1.185 0.762 12.120 366 1HG ARG 45 HG2 ARG 45 -3.603 1.043 11.998 367 2HG ARG 45 HG1 ARG 45 -3.004 0.487 10.432 368 1HD ARG 45 HD1 ARG 45 -3.688 -1.806 10.937 369 2HD ARG 45 HD2 ARG 45 -4.167 -1.333 12.578 370 HE ARG 45 HE ARG 45 -5.483 0.373 10.691 371 1HH1 ARG 45 HH11 ARG 45 -5.418 -2.888 11.838 372 2HH1 ARG 45 HH12 ARG 45 -7.090 -3.176 11.497 373 1HH2 ARG 45 HH21 ARG 45 -7.666 0.004 10.245 374 2HH2 ARG 45 HH22 ARG 45 -8.361 -1.543 10.597 375 H GLY 46 HN GLY 46 0.049 0.540 9.809 376 1HA GLY 46 HA2 GLY 46 -1.678 0.518 7.526 377 2HA GLY 46 HA1 GLY 46 -0.043 1.172 7.553 378 H GLY 47 HN GLY 47 1.070 -1.437 8.468 379 1HA GLY 47 HA2 GLY 47 1.421 -2.696 5.859 380 2HA GLY 47 HA1 GLY 47 2.095 -3.263 7.381 381 H ASP 48 HN ASP 48 -1.102 -2.776 7.982 382 HA ASP 48 HA ASP 48 -2.267 -5.199 6.856 383 1HB ASP 48 HB2 ASP 48 -2.246 -6.409 9.024 384 2HB ASP 48 HB1 ASP 48 -0.605 -6.088 8.463 385 H LEU 49 HN LEU 49 -3.473 -2.902 6.639 386 HA LEU 49 HA LEU 49 -4.814 -1.839 8.939 387 1HB LEU 49 HB1 LEU 49 -5.228 -1.628 5.944 388 2HB LEU 49 HB2 LEU 49 -6.151 -0.672 7.105 389 HG LEU 49 HG LEU 49 -3.172 -0.698 7.385 390 1HD1 LEU 49 HD11 LEU 49 -2.869 -0.009 5.254 391 2HD1 LEU 49 HD12 LEU 49 -3.680 1.480 5.739 392 3HD1 LEU 49 HD13 LEU 49 -4.604 0.176 4.989 393 1HD2 LEU 49 HD21 LEU 49 -5.261 1.485 7.623 394 2HD2 LEU 49 HD22 LEU 49 -3.574 1.589 8.132 395 3HD2 LEU 49 HD23 LEU 49 -4.682 0.498 8.965 396 H GLY 50 HN GLY 50 -5.679 -4.386 6.653 397 1HA GLY 50 HA2 GLY 50 -7.334 -6.075 7.144 398 2HA GLY 50 HA1 GLY 50 -8.056 -4.984 8.328 399 H GLU 51 HN GLU 51 -10.159 -5.012 7.446 400 HA GLU 51 HA GLU 51 -10.415 -4.037 4.624 401 1HB GLU 51 HB2 GLU 51 -11.313 -6.324 5.602 402 2HB GLU 51 HB1 GLU 51 -12.620 -5.311 6.218 403 1HG GLU 51 HG2 GLU 51 -13.038 -4.465 3.935 404 2HG GLU 51 HG1 GLU 51 -11.732 -5.478 3.321 405 H PHE 52 HN PHE 52 -11.495 -2.126 4.273 406 HA PHE 52 HA PHE 52 -13.149 -0.983 6.475 407 1HB PHE 52 HB1 PHE 52 -12.086 1.269 5.328 408 2HB PHE 52 HB2 PHE 52 -11.466 0.528 6.796 409 HD1 PHE 52 HD1 PHE 52 -9.150 0.660 6.797 410 HD2 PHE 52 HD2 PHE 52 -11.168 -0.428 3.161 411 HE1 PHE 52 HE1 PHE 52 -6.962 0.299 5.689 412 HE2 PHE 52 HE2 PHE 52 -8.988 -0.794 2.056 413 HZ PHE 52 HZ PHE 52 -6.878 -0.426 3.319 414 H ARG 53 HN ARG 53 -14.014 1.319 5.146 415 HA ARG 53 HA ARG 53 -15.998 0.245 3.370 416 1HB ARG 53 HB2 ARG 53 -14.970 3.068 3.830 417 2HB ARG 53 HB1 ARG 53 -16.450 2.678 2.954 418 1HG ARG 53 HG1 ARG 53 -17.351 1.557 4.956 419 2HG ARG 53 HG2 ARG 53 -15.870 1.936 5.838 420 1HD ARG 53 HD2 ARG 53 -16.312 4.371 5.465 421 2HD ARG 53 HD1 ARG 53 -17.846 3.941 4.686 422 HE ARG 53 HE ARG 53 -17.264 3.765 7.557 423 1HH1 ARG 53 HH11 ARG 53 -19.123 2.587 4.892 424 2HH1 ARG 53 HH12 ARG 53 -20.453 2.083 5.879 425 1HH2 ARG 53 HH21 ARG 53 -18.995 3.113 8.849 426 2HH2 ARG 53 HH22 ARG 53 -20.381 2.382 8.115 427 H GLN 54 HN GLN 54 -12.945 1.968 2.771 428 HA GLN 54 HA GLN 54 -12.461 0.633 0.284 429 1HB GLN 54 HB2 GLN 54 -13.026 2.430 -1.270 430 2HB GLN 54 HB1 GLN 54 -14.452 2.037 -0.311 431 1HG GLN 54 HG2 GLN 54 -13.942 3.926 1.206 432 2HG GLN 54 HG1 GLN 54 -12.536 4.328 0.220 433 1HE2 GLN 54 HE21 GLN 54 -13.606 6.455 -0.241 434 2HE2 GLN 54 HE22 GLN 54 -14.846 6.535 -1.398 435 H GLY 55 HN GLY 55 -11.110 1.693 2.767 436 1HA GLY 55 HA2 GLY 55 -8.627 2.100 2.617 437 2HA GLY 55 HA1 GLY 55 -9.000 3.332 1.408 438 H GLN 56 HN GLN 56 -10.581 5.052 2.236 439 HA GLN 56 HA GLN 56 -11.257 6.669 3.823 440 1HB GLN 56 HB2 GLN 56 -10.268 4.735 5.921 441 2HB GLN 56 HB1 GLN 56 -11.631 5.847 6.014 442 1HG GLN 56 HG1 GLN 56 -12.663 4.474 4.084 443 2HG GLN 56 HG2 GLN 56 -11.467 3.242 4.492 444 1HE2 GLN 56 HE21 GLN 56 -11.482 2.458 6.798 445 2HE2 GLN 56 HE22 GLN 56 -12.964 2.439 7.631 446 H MET 57 HN MET 57 -8.382 4.978 5.073 447 HA MET 57 HA MET 57 -7.201 7.070 6.458 448 1HB MET 57 HB2 MET 57 -6.465 4.787 6.597 449 2HB MET 57 HB1 MET 57 -6.109 4.742 4.867 450 1HG MET 57 HG2 MET 57 -4.315 6.414 5.203 451 2HG MET 57 HG1 MET 57 -4.681 6.466 6.929 452 1HE MET 57 HE1 MET 57 -4.019 4.541 3.959 453 2HE MET 57 HE2 MET 57 -4.239 2.902 4.568 454 3HE MET 57 HE3 MET 57 -2.612 3.532 4.319 455 H VAL 58 HN VAL 58 -6.747 6.213 3.011 456 HA VAL 58 HA VAL 58 -5.591 8.937 2.543 457 HB VAL 58 HB VAL 58 -3.835 7.227 2.992 458 1HG1 VAL 58 HG21 VAL 58 -3.724 5.216 1.873 459 2HG1 VAL 58 HG22 VAL 58 -4.495 5.861 0.424 460 3HG1 VAL 58 HG23 VAL 58 -5.471 5.458 1.836 461 1HG2 VAL 58 HG11 VAL 58 -3.324 7.489 0.153 462 2HG2 VAL 58 HG12 VAL 58 -2.530 8.301 1.502 463 3HG2 VAL 58 HG13 VAL 58 -3.993 8.986 0.799 464 HA PRO 59 HA PRO 59 -8.463 8.760 -0.841 465 1HB PRO 59 HB2 PRO 59 -7.233 10.796 -2.308 466 2HB PRO 59 HB1 PRO 59 -8.455 11.037 -1.047 467 1HG PRO 59 HG1 PRO 59 -5.505 11.320 -0.913 468 2HG PRO 59 HG2 PRO 59 -6.767 12.222 -0.065 469 1HD PRO 59 HD2 PRO 59 -5.253 10.311 1.129 470 2HD PRO 59 HD1 PRO 59 -6.921 10.670 1.621 471 H ALA 60 HN ALA 60 -5.002 9.239 -1.642 472 HA ALA 60 HA ALA 60 -4.881 8.338 -4.248 473 1HB ALA 60 HB1 ALA 60 -2.658 7.191 -3.150 474 2HB ALA 60 HB2 ALA 60 -3.136 8.291 -1.857 475 3HB ALA 60 HB3 ALA 60 -2.809 8.918 -3.472 476 H PHE 61 HN PHE 61 -5.438 6.366 -1.371 477 HA PHE 61 HA PHE 61 -4.941 3.784 -2.476 478 1HB PHE 61 HB2 PHE 61 -5.275 4.121 -0.113 479 2HB PHE 61 HB1 PHE 61 -6.870 4.824 -0.384 480 HD1 PHE 61 HD1 PHE 61 -4.887 1.698 -0.473 481 HD2 PHE 61 HD2 PHE 61 -8.800 3.438 -0.848 482 HE1 PHE 61 HE1 PHE 61 -5.899 -0.561 -0.374 483 HE2 PHE 61 HE2 PHE 61 -9.815 1.174 -0.745 484 HZ PHE 61 HZ PHE 61 -8.365 -0.825 -0.508 485 H ASP 62 HN ASP 62 -7.920 5.763 -2.435 486 HA ASP 62 HA ASP 62 -9.621 3.895 -3.772 487 1HB ASP 62 HB1 ASP 62 -10.340 5.957 -2.606 488 2HB ASP 62 HB2 ASP 62 -9.529 6.931 -3.832 489 H LYS 63 HN LYS 63 -7.439 6.415 -5.011 490 HA LYS 63 HA LYS 63 -8.080 6.235 -7.765 491 1HB LYS 63 HB1 LYS 63 -5.565 6.927 -6.224 492 2HB LYS 63 HB2 LYS 63 -5.723 7.186 -7.962 493 1HG LYS 63 HG1 LYS 63 -7.711 8.598 -7.570 494 2HG LYS 63 HG2 LYS 63 -7.555 8.340 -5.834 495 1HD LYS 63 HD2 LYS 63 -5.322 9.405 -5.882 496 2HD LYS 63 HD1 LYS 63 -5.495 9.675 -7.617 497 1HE LYS 63 HE1 LYS 63 -7.336 11.190 -7.287 498 2HE LYS 63 HE2 LYS 63 -7.483 10.733 -5.580 499 1HZ LYS 63 HZ1 LYS 63 -6.217 12.730 -5.657 500 2HZ LYS 63 HZ2 LYS 63 -5.217 12.137 -6.896 501 3HZ LYS 63 HZ3 LYS 63 -5.119 11.479 -5.332 502 H VAL 64 HN VAL 64 -5.513 4.484 -5.937 503 HA VAL 64 HA VAL 64 -4.566 3.099 -8.288 504 HB VAL 64 HB VAL 64 -3.200 3.572 -6.281 505 1HG1 VAL 64 HG21 VAL 64 -4.949 1.497 -4.925 506 2HG1 VAL 64 HG22 VAL 64 -5.030 3.232 -4.624 507 3HG1 VAL 64 HG23 VAL 64 -3.573 2.334 -4.207 508 1HG2 VAL 64 HG11 VAL 64 -3.300 1.160 -7.727 509 2HG2 VAL 64 HG12 VAL 64 -3.103 0.680 -6.041 510 3HG2 VAL 64 HG13 VAL 64 -1.937 1.771 -6.789 511 H VAL 65 HN VAL 65 -6.642 1.970 -5.551 512 HA VAL 65 HA VAL 65 -7.176 -0.622 -6.716 513 HB VAL 65 HB VAL 65 -7.669 0.169 -4.353 514 1HG1 VAL 65 HG21 VAL 65 -10.093 1.395 -5.701 515 2HG1 VAL 65 HG22 VAL 65 -8.728 2.324 -5.083 516 3HG1 VAL 65 HG23 VAL 65 -9.735 1.392 -3.974 517 1HG2 VAL 65 HG11 VAL 65 -8.803 -1.788 -5.846 518 2HG2 VAL 65 HG12 VAL 65 -10.242 -0.843 -5.452 519 3HG2 VAL 65 HG13 VAL 65 -9.238 -1.498 -4.160 520 H PHE 66 HN PHE 66 -8.205 2.613 -7.480 521 HA PHE 66 HA PHE 66 -10.335 1.636 -9.326 522 1HB PHE 66 HB1 PHE 66 -10.703 3.694 -8.009 523 2HB PHE 66 HB2 PHE 66 -9.241 4.402 -8.700 524 HD1 PHE 66 HD1 PHE 66 -12.741 3.461 -9.328 525 HD2 PHE 66 HD2 PHE 66 -9.143 5.037 -11.076 526 HE1 PHE 66 HE1 PHE 66 -14.035 4.228 -11.303 527 HE2 PHE 66 HE2 PHE 66 -10.437 5.805 -13.049 528 HZ PHE 66 HZ PHE 66 -12.883 5.401 -13.163 529 H SER 67 HN SER 67 -7.003 2.293 -9.225 530 HA SER 67 HA SER 67 -6.662 2.694 -12.126 531 1HB SER 67 HB1 SER 67 -5.276 3.795 -10.299 532 2HB SER 67 HB2 SER 67 -4.619 2.197 -9.945 533 HG SER 67 HG SER 67 -3.510 3.683 -11.541 534 H CYS 68 HN CYS 68 -5.399 0.406 -9.692 535 HA CYS 68 HA CYS 68 -5.391 -1.829 -11.648 536 1HB CYS 68 HB2 CYS 68 -4.426 -3.054 -9.754 537 2HB CYS 68 HB1 CYS 68 -3.602 -1.501 -9.916 538 HG CYS 68 HG CYS 68 -4.772 -2.284 -7.409 539 HA PRO 69 HA PRO 69 -9.634 -2.633 -10.987 540 1HB PRO 69 HB1 PRO 69 -8.871 -5.503 -11.221 541 2HB PRO 69 HB2 PRO 69 -10.057 -4.574 -12.155 542 1HG PRO 69 HG2 PRO 69 -7.674 -5.272 -13.167 543 2HG PRO 69 HG1 PRO 69 -8.472 -3.753 -13.594 544 1HD PRO 69 HD2 PRO 69 -6.126 -4.228 -11.843 545 2HD PRO 69 HD1 PRO 69 -6.529 -2.815 -12.839 546 H VAL 70 HN VAL 70 -7.897 -5.411 -9.622 547 HA VAL 70 HA VAL 70 -8.297 -4.784 -6.852 548 HB VAL 70 HB VAL 70 -10.654 -4.957 -7.573 549 1HG1 VAL 70 HG11 VAL 70 -11.049 -6.351 -9.302 550 2HG1 VAL 70 HG12 VAL 70 -11.055 -7.650 -8.108 551 3HG1 VAL 70 HG13 VAL 70 -9.578 -7.273 -8.995 552 1HG2 VAL 70 HG21 VAL 70 -9.529 -7.107 -5.798 553 2HG2 VAL 70 HG22 VAL 70 -11.260 -7.037 -6.115 554 3HG2 VAL 70 HG23 VAL 70 -10.446 -5.672 -5.353 555 H LEU 71 HN LEU 71 -7.731 -6.734 -5.499 556 HA LEU 71 HA LEU 71 -6.042 -8.347 -5.114 557 1HB LEU 71 HB2 LEU 71 -7.351 -9.538 -7.581 558 2HB LEU 71 HB1 LEU 71 -6.424 -10.418 -6.366 559 HG LEU 71 HG LEU 71 -8.278 -9.141 -4.804 560 1HD1 LEU 71 HD21 LEU 71 -9.913 -10.159 -7.107 561 2HD1 LEU 71 HD22 LEU 71 -9.311 -8.502 -7.148 562 3HD1 LEU 71 HD23 LEU 71 -10.364 -9.025 -5.834 563 1HD2 LEU 71 HD11 LEU 71 -7.884 -11.834 -5.932 564 2HD2 LEU 71 HD12 LEU 71 -9.530 -11.520 -5.383 565 3HD2 LEU 71 HD13 LEU 71 -8.179 -11.347 -4.264 566 H GLU 72 HN GLU 72 -5.406 -6.052 -6.858 567 HA GLU 72 HA GLU 72 -3.155 -7.285 -8.408 568 1HB GLU 72 HB1 GLU 72 -4.985 -4.974 -9.134 569 2HB GLU 72 HB2 GLU 72 -3.568 -5.453 -10.069 570 1HG GLU 72 HG2 GLU 72 -5.350 -7.702 -9.464 571 2HG GLU 72 HG1 GLU 72 -6.131 -6.444 -10.422 572 HA PRO 73 HA PRO 73 -1.699 -4.446 -5.011 573 1HB PRO 73 HB2 PRO 73 0.762 -5.965 -5.759 574 2HB PRO 73 HB1 PRO 73 0.128 -5.571 -4.151 575 1HG PRO 73 HG1 PRO 73 -0.091 -8.026 -5.232 576 2HG PRO 73 HG2 PRO 73 -1.308 -7.352 -4.138 577 1HD PRO 73 HD1 PRO 73 -1.448 -7.819 -7.049 578 2HD PRO 73 HD2 PRO 73 -2.758 -7.695 -5.857 579 H THR 74 HN THR 74 -1.076 -2.405 -5.630 580 HA THR 74 HA THR 74 0.687 -2.139 -8.044 581 HB THR 74 HB THR 74 -1.871 -0.658 -7.354 582 HG1 THR 74 HG1 THR 74 -1.205 -2.324 -9.548 583 1HG2 THR 74 HG21 THR 74 -0.488 0.952 -8.394 584 2HG2 THR 74 HG22 THR 74 -1.453 0.295 -9.715 585 3HG2 THR 74 HG23 THR 74 0.213 -0.236 -9.492 586 H GLY 75 HN GLY 75 2.247 -0.548 -7.859 587 1HA GLY 75 HA1 GLY 75 2.484 1.829 -6.713 588 2HA GLY 75 HA2 GLY 75 2.413 0.853 -5.246 589 HA PRO 76 HA PRO 76 3.733 1.912 -4.099 590 1HB PRO 76 HB1 PRO 76 5.718 3.775 -3.750 591 2HB PRO 76 HB2 PRO 76 5.761 2.157 -3.023 592 1HG PRO 76 HG2 PRO 76 7.129 3.178 -5.471 593 2HG PRO 76 HG1 PRO 76 7.740 2.094 -4.209 594 1HD PRO 76 HD1 PRO 76 6.872 1.216 -6.631 595 2HD PRO 76 HD2 PRO 76 6.758 0.242 -5.150 596 H LEU 77 HN LEU 77 2.342 3.634 -4.365 597 HA LEU 77 HA LEU 77 2.412 5.029 -6.973 598 1HB LEU 77 HB2 LEU 77 0.419 3.814 -6.027 599 2HB LEU 77 HB1 LEU 77 0.346 5.028 -4.751 600 HG LEU 77 HG LEU 77 0.546 6.332 -7.317 601 1HD1 LEU 77 HD11 LEU 77 -2.007 4.779 -7.095 602 2HD1 LEU 77 HD12 LEU 77 -0.602 3.990 -7.812 603 3HD1 LEU 77 HD13 LEU 77 -1.241 5.470 -8.525 604 1HD2 LEU 77 HD21 LEU 77 -1.249 6.273 -4.933 605 2HD2 LEU 77 HD22 LEU 77 -1.886 6.992 -6.411 606 3HD2 LEU 77 HD23 LEU 77 -0.418 7.638 -5.678 607 H HIS 78 HN HIS 78 2.590 7.273 -7.183 608 HA HIS 78 HA HIS 78 4.069 8.709 -5.215 609 1HB HIS 78 HB1 HIS 78 4.057 9.111 -7.657 610 2HB HIS 78 HB2 HIS 78 2.390 9.678 -7.551 611 HD1 HIS 78 HD1 HIS 78 2.080 12.113 -7.075 612 HD2 HIS 78 HD2 HIS 78 5.900 10.811 -6.030 613 HE1 HIS 78 HE1 HIS 78 3.373 14.175 -6.376 614 H THR 79 HN THR 79 3.386 9.843 -3.436 615 HA THR 79 HA THR 79 0.613 10.932 -3.372 616 HB THR 79 HB THR 79 0.545 8.676 -2.359 617 HG1 THR 79 HG1 THR 79 -0.779 10.175 -1.408 618 1HG2 THR 79 HG21 THR 79 2.634 8.133 -1.542 619 2HG2 THR 79 HG22 THR 79 1.868 8.658 -0.044 620 3HG2 THR 79 HG23 THR 79 2.929 9.758 -0.921 621 H GLN 80 HN GLN 80 0.369 12.576 -1.654 622 HA GLN 80 HA GLN 80 2.567 14.382 -1.504 623 1HB GLN 80 HB1 GLN 80 1.062 15.598 0.022 624 2HB GLN 80 HB2 GLN 80 0.155 14.943 -1.341 625 1HG GLN 80 HG2 GLN 80 -0.443 12.966 0.082 626 2HG GLN 80 HG1 GLN 80 0.346 13.759 1.445 627 1HE2 GLN 80 HE21 GLN 80 -1.053 14.992 2.711 628 2HE2 GLN 80 HE22 GLN 80 -2.502 15.689 2.168 629 H PHE 81 HN PHE 81 1.853 11.595 0.419 630 HA PHE 81 HA PHE 81 3.435 12.570 2.736 631 1HB PHE 81 HB2 PHE 81 1.924 10.006 2.142 632 2HB PHE 81 HB1 PHE 81 2.677 10.385 3.690 633 HD1 PHE 81 HD1 PHE 81 1.802 12.191 5.114 634 HD2 PHE 81 HD2 PHE 81 -0.094 11.146 1.401 635 HE1 PHE 81 HE1 PHE 81 -0.214 13.472 5.785 636 HE2 PHE 81 HE2 PHE 81 -2.111 12.428 2.071 637 HZ PHE 81 HZ PHE 81 -2.171 13.591 4.263 638 H GLY 82 HN GLY 82 4.261 11.386 -0.193 639 1HA GLY 82 HA2 GLY 82 6.765 10.756 -0.314 640 2HA GLY 82 HA1 GLY 82 6.337 9.526 0.875 641 H TYR 83 HN TYR 83 5.867 7.560 0.021 642 HA TYR 83 HA TYR 83 4.410 7.459 -2.575 643 1HB TYR 83 HB1 TYR 83 7.044 6.159 -1.856 644 2HB TYR 83 HB2 TYR 83 6.036 5.552 -3.173 645 HD1 TYR 83 HD1 TYR 83 8.005 8.445 -1.955 646 HD2 TYR 83 HD2 TYR 83 5.771 6.789 -5.234 647 HE1 TYR 83 HE1 TYR 83 8.886 10.219 -3.451 648 HE2 TYR 83 HE2 TYR 83 6.652 8.563 -6.729 649 HH TYR 83 HH TYR 83 7.756 10.528 -6.798 650 H HIS 84 HN HIS 84 2.697 6.112 -2.345 651 HA HIS 84 HA HIS 84 2.665 4.177 -0.068 652 1HB HIS 84 HB2 HIS 84 0.517 5.457 -1.789 653 2HB HIS 84 HB1 HIS 84 0.182 4.202 -0.602 654 HD1 HIS 84 HD1 HIS 84 -0.743 7.290 -0.466 655 HD2 HIS 84 HD2 HIS 84 2.364 5.528 1.679 656 HE1 HIS 84 HE1 HIS 84 -0.391 8.725 1.590 657 H ILE 85 HN ILE 85 2.840 2.040 -0.521 658 HA ILE 85 HA ILE 85 1.960 1.124 -3.242 659 HB ILE 85 HB ILE 85 4.380 0.702 -2.521 660 1HG1 ILE 85 HG12 ILE 85 2.984 -1.930 -2.841 661 2HG1 ILE 85 HG11 ILE 85 2.814 -0.727 -4.119 662 1HG2 ILE 85 HG21 ILE 85 4.835 -0.825 -0.786 663 2HG2 ILE 85 HG22 ILE 85 3.179 -1.436 -0.770 664 3HG2 ILE 85 HG23 ILE 85 3.534 0.166 -0.124 665 1HD1 ILE 85 HD11 ILE 85 5.156 -0.659 -4.514 666 2HD1 ILE 85 HD12 ILE 85 4.781 -2.373 -4.333 667 3HD1 ILE 85 HD13 ILE 85 5.515 -1.485 -2.998 668 H ILE 86 HN ILE 86 0.093 -0.048 -3.205 669 HA ILE 86 HA ILE 86 -0.920 -0.915 -0.517 670 HB ILE 86 HB ILE 86 -2.332 0.415 -2.854 671 1HG1 ILE 86 HG11 ILE 86 -1.687 1.573 -0.132 672 2HG1 ILE 86 HG12 ILE 86 -0.629 1.785 -1.527 673 1HG2 ILE 86 HG21 ILE 86 -4.296 0.206 -1.698 674 2HG2 ILE 86 HG22 ILE 86 -3.504 0.373 -0.131 675 3HG2 ILE 86 HG23 ILE 86 -3.478 -1.177 -0.970 676 1HD1 ILE 86 HD11 ILE 86 -2.210 3.691 -1.241 677 2HD1 ILE 86 HD12 ILE 86 -3.558 2.573 -1.443 678 3HD1 ILE 86 HD13 ILE 86 -2.440 2.855 -2.777 679 H LYS 87 HN LYS 87 -1.829 -2.935 -0.425 680 HA LYS 87 HA LYS 87 -2.035 -4.533 -2.935 681 1HB LYS 87 HB2 LYS 87 -2.261 -5.349 -0.018 682 2HB LYS 87 HB1 LYS 87 -2.026 -6.424 -1.396 683 1HG LYS 87 HG2 LYS 87 0.124 -5.121 -1.859 684 2HG LYS 87 HG1 LYS 87 -0.084 -4.399 -0.266 685 1HD LYS 87 HD2 LYS 87 1.236 -6.236 0.271 686 2HD LYS 87 HD1 LYS 87 -0.375 -6.921 0.487 687 1HE LYS 87 HE1 LYS 87 -0.092 -7.460 -2.123 688 2HE LYS 87 HE2 LYS 87 1.625 -7.425 -1.682 689 1HZ LYS 87 HZ1 LYS 87 0.183 -8.746 0.348 690 2HZ LYS 87 HZ2 LYS 87 1.382 -9.381 -0.674 691 3HZ LYS 87 HZ3 LYS 87 -0.250 -9.438 -1.140 692 H VAL 88 HN VAL 88 -4.049 -5.256 -3.650 693 HA VAL 88 HA VAL 88 -6.437 -4.256 -2.143 694 HB VAL 88 HB VAL 88 -6.095 -5.056 -5.052 695 1HG1 VAL 88 HG11 VAL 88 -8.415 -5.127 -4.359 696 2HG1 VAL 88 HG12 VAL 88 -8.173 -3.658 -5.305 697 3HG1 VAL 88 HG13 VAL 88 -8.264 -3.568 -3.546 698 1HG2 VAL 88 HG21 VAL 88 -5.364 -2.956 -5.539 699 2HG2 VAL 88 HG22 VAL 88 -4.872 -2.929 -3.846 700 3HG2 VAL 88 HG23 VAL 88 -6.407 -2.210 -4.329 701 H LEU 89 HN LEU 89 -8.002 -5.761 -1.492 702 HA LEU 89 HA LEU 89 -7.884 -8.497 -2.607 703 1HB LEU 89 HB2 LEU 89 -7.662 -7.689 0.308 704 2HB LEU 89 HB1 LEU 89 -7.981 -9.342 -0.218 705 HG LEU 89 HG LEU 89 -5.571 -7.695 -1.047 706 1HD1 LEU 89 HD11 LEU 89 -5.842 -9.972 0.940 707 2HD1 LEU 89 HD12 LEU 89 -5.471 -8.293 1.332 708 3HD1 LEU 89 HD13 LEU 89 -4.315 -9.261 0.418 709 1HD2 LEU 89 HD21 LEU 89 -6.670 -10.361 -1.793 710 2HD2 LEU 89 HD22 LEU 89 -4.925 -10.262 -1.558 711 3HD2 LEU 89 HD23 LEU 89 -5.713 -9.234 -2.751 712 H TYR 90 HN TYR 90 -9.996 -9.290 -2.840 713 HA TYR 90 HA TYR 90 -12.325 -9.491 -2.648 714 1HB TYR 90 HB2 TYR 90 -11.837 -7.920 -0.093 715 2HB TYR 90 HB1 TYR 90 -13.255 -8.894 -0.465 716 HD1 TYR 90 HD1 TYR 90 -9.711 -8.948 0.488 717 HD2 TYR 90 HD2 TYR 90 -13.120 -11.350 -0.559 718 HE1 TYR 90 HE1 TYR 90 -8.560 -10.964 1.367 719 HE2 TYR 90 HE2 TYR 90 -11.969 -13.366 0.320 720 HH TYR 90 HH TYR 90 -9.293 -13.961 0.642 721 H ARG 91 HN ARG 91 -11.606 -6.238 -1.301 722 HA ARG 91 HA ARG 91 -12.611 -4.159 -1.807 723 1HB ARG 91 HB1 ARG 91 -11.259 -4.793 -3.877 724 2HB ARG 91 HB2 ARG 91 -12.775 -5.343 -4.589 725 1HG ARG 91 HG1 ARG 91 -13.743 -3.125 -4.367 726 2HG ARG 91 HG2 ARG 91 -12.327 -2.552 -3.487 727 1HD ARG 91 HD1 ARG 91 -12.100 -1.812 -5.788 728 2HD ARG 91 HD2 ARG 91 -10.952 -3.144 -5.559 729 HE ARG 91 HE ARG 91 -13.232 -4.460 -6.343 730 1HH1 ARG 91 HH11 ARG 91 -11.506 -1.720 -7.557 731 2HH1 ARG 91 HH12 ARG 91 -11.967 -2.000 -9.202 732 1HH2 ARG 91 HH21 ARG 91 -13.835 -4.830 -8.486 733 2HH2 ARG 91 HH22 ARG 91 -13.282 -3.756 -9.728 734 H ASN 92 HN ASN 92 -14.398 -6.271 -0.905 735 HA ASN 92 HA ASN 92 -16.934 -5.153 -1.874 736 1HB ASN 92 HB1 ASN 92 -16.115 -6.927 -3.538 737 2HB ASN 92 HB2 ASN 92 -16.391 -8.107 -2.255 738 1HD2 ASN 92 HD21 ASN 92 -18.312 -5.197 -3.158 739 2HD2 ASN 92 HD22 ASN 92 -19.754 -6.048 -3.431 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 -15.908 2.101 -5.254 2 2H ALA 1 HT2 ALA 1 -14.625 1.002 -5.073 3 3H ALA 1 HT3 ALA 1 -14.990 2.099 -3.827 4 HA ALA 1 HA ALA 1 -17.160 0.328 -4.640 5 1HB ALA 1 HB1 ALA 1 -15.606 -1.136 -2.805 6 2HB ALA 1 HB2 ALA 1 -14.464 -0.553 -4.015 7 3HB ALA 1 HB3 ALA 1 -15.857 -1.515 -4.510 8 H LYS 2 HN LYS 2 -18.210 -0.415 -2.526 9 HA LYS 2 HA LYS 2 -18.673 1.818 -0.774 10 1HB LYS 2 HB2 LYS 2 -19.214 -1.157 -0.472 11 2HB LYS 2 HB1 LYS 2 -20.010 0.124 0.445 12 1HG LYS 2 HG1 LYS 2 -20.732 1.103 -1.763 13 2HG LYS 2 HG2 LYS 2 -20.148 -0.364 -2.536 14 1HD LYS 2 HD2 LYS 2 -21.682 -1.725 -1.218 15 2HD LYS 2 HD1 LYS 2 -22.220 -0.304 -0.321 16 1HE LYS 2 HE1 LYS 2 -22.431 0.072 -3.221 17 2HE LYS 2 HE2 LYS 2 -23.417 -1.281 -2.632 18 1HZ LYS 2 HZ1 LYS 2 -24.599 0.068 -1.236 19 2HZ LYS 2 HZ2 LYS 2 -24.266 1.195 -2.463 20 3HZ LYS 2 HZ3 LYS 2 -23.335 1.183 -1.041 21 H THR 3 HN THR 3 -16.783 -1.139 -0.491 22 HA THR 3 HA THR 3 -15.024 0.074 1.534 23 HB THR 3 HB THR 3 -16.816 -0.611 2.971 24 HG1 THR 3 HG1 THR 3 -14.801 -1.272 3.721 25 1HG2 THR 3 HG21 THR 3 -17.574 -3.067 2.878 26 2HG2 THR 3 HG22 THR 3 -16.820 -3.113 1.285 27 3HG2 THR 3 HG23 THR 3 -18.154 -2.001 1.600 28 H ALA 4 HN ALA 4 -13.100 -1.251 1.886 29 HA ALA 4 HA ALA 4 -12.794 -3.634 0.116 30 1HB ALA 4 HB1 ALA 4 -11.240 -1.034 -0.080 31 2HB ALA 4 HB2 ALA 4 -12.405 -1.632 -1.260 32 3HB ALA 4 HB3 ALA 4 -10.884 -2.490 -1.006 33 H ALA 5 HN ALA 5 -10.853 -4.849 0.598 34 HA ALA 5 HA ALA 5 -9.550 -4.150 3.204 35 1HB ALA 5 HB1 ALA 5 -10.382 -6.599 1.829 36 2HB ALA 5 HB2 ALA 5 -9.983 -6.358 3.531 37 3HB ALA 5 HB3 ALA 5 -8.701 -6.673 2.361 38 H ALA 6 HN ALA 6 -7.322 -3.700 3.169 39 HA ALA 6 HA ALA 6 -5.747 -4.301 0.740 40 1HB ALA 6 HB1 ALA 6 -5.585 -2.116 -0.046 41 2HB ALA 6 HB2 ALA 6 -5.944 -1.414 1.530 42 3HB ALA 6 HB3 ALA 6 -7.238 -2.123 0.565 43 H LEU 7 HN LEU 7 -3.484 -3.927 1.030 44 HA LEU 7 HA LEU 7 -2.643 -3.349 3.862 45 1HB LEU 7 HB1 LEU 7 -1.275 -4.901 1.631 46 2HB LEU 7 HB2 LEU 7 -0.634 -4.681 3.262 47 HG LEU 7 HG LEU 7 -3.238 -6.066 2.549 48 1HD1 LEU 7 HD11 LEU 7 -0.471 -6.971 2.887 49 2HD1 LEU 7 HD12 LEU 7 -1.850 -7.820 2.189 50 3HD1 LEU 7 HD13 LEU 7 -1.604 -7.824 3.935 51 1HD2 LEU 7 HD21 LEU 7 -3.439 -4.927 4.681 52 2HD2 LEU 7 HD22 LEU 7 -1.870 -5.541 5.203 53 3HD2 LEU 7 HD23 LEU 7 -3.225 -6.649 4.990 54 H HIS 8 HN HIS 8 -0.881 -1.798 4.093 55 HA HIS 8 HA HIS 8 -0.159 -0.351 1.564 56 1HB HIS 8 HB1 HIS 8 -1.139 0.833 4.182 57 2HB HIS 8 HB2 HIS 8 -0.591 1.763 2.787 58 HD1 HIS 8 HD1 HIS 8 -2.318 2.310 1.070 59 HD2 HIS 8 HD2 HIS 8 -3.500 -0.873 3.489 60 HE1 HIS 8 HE1 HIS 8 -4.695 1.747 0.403 61 H ILE 9 HN ILE 9 1.957 0.175 1.440 62 HA ILE 9 HA ILE 9 3.528 0.387 3.981 63 HB ILE 9 HB ILE 9 4.449 -0.559 1.248 64 1HG1 ILE 9 HG11 ILE 9 4.270 -2.097 3.852 65 2HG1 ILE 9 HG12 ILE 9 3.045 -2.175 2.585 66 1HG2 ILE 9 HG21 ILE 9 6.116 0.763 2.618 67 2HG2 ILE 9 HG22 ILE 9 6.610 -0.892 2.258 68 3HG2 ILE 9 HG23 ILE 9 5.985 -0.488 3.856 69 1HD1 ILE 9 HD11 ILE 9 5.712 -2.539 1.487 70 2HD1 ILE 9 HD12 ILE 9 4.299 -3.587 1.353 71 3HD1 ILE 9 HD13 ILE 9 5.373 -3.728 2.745 72 H LEU 10 HN LEU 10 4.064 2.504 4.267 73 HA LEU 10 HA LEU 10 4.225 4.297 1.882 74 1HB LEU 10 HB2 LEU 10 2.638 4.899 3.652 75 2HB LEU 10 HB1 LEU 10 3.915 4.795 4.863 76 HG LEU 10 HG LEU 10 3.300 7.147 3.990 77 1HD1 LEU 10 HD11 LEU 10 5.420 7.860 4.541 78 2HD1 LEU 10 HD12 LEU 10 6.204 6.649 3.526 79 3HD1 LEU 10 HD13 LEU 10 5.542 6.190 5.095 80 1HD2 LEU 10 HD21 LEU 10 3.191 6.640 1.612 81 2HD2 LEU 10 HD22 LEU 10 4.857 6.062 1.626 82 3HD2 LEU 10 HD23 LEU 10 4.514 7.771 1.895 83 H VAL 11 HN VAL 11 6.278 4.713 1.190 84 HA VAL 11 HA VAL 11 8.535 4.367 3.119 85 HB VAL 11 HB VAL 11 8.782 4.732 0.134 86 1HG1 VAL 11 HG21 VAL 11 10.750 4.635 1.768 87 2HG1 VAL 11 HG22 VAL 11 10.798 3.498 0.421 88 3HG1 VAL 11 HG23 VAL 11 10.318 2.945 2.026 89 1HG2 VAL 11 HG11 VAL 11 8.478 2.322 -0.167 90 2HG2 VAL 11 HG12 VAL 11 7.021 3.005 0.554 91 3HG2 VAL 11 HG13 VAL 11 8.170 2.120 1.558 92 H LYS 12 HN LYS 12 9.642 6.137 3.811 93 HA LYS 12 HA LYS 12 8.813 8.816 3.203 94 1HB LYS 12 HB1 LYS 12 9.873 8.057 5.303 95 2HB LYS 12 HB2 LYS 12 11.362 7.704 4.427 96 1HG LYS 12 HG2 LYS 12 11.526 10.097 3.779 97 2HG LYS 12 HG1 LYS 12 10.067 10.433 4.712 98 1HD LYS 12 HD2 LYS 12 11.206 9.577 6.753 99 2HD LYS 12 HD1 LYS 12 12.672 9.327 5.806 100 1HE LYS 12 HE1 LYS 12 12.964 11.669 5.444 101 2HE LYS 12 HE2 LYS 12 11.313 12.031 5.983 102 1HZ LYS 12 HZ1 LYS 12 12.367 12.362 7.952 103 2HZ LYS 12 HZ2 LYS 12 13.682 11.363 7.554 104 3HZ LYS 12 HZ3 LYS 12 12.218 10.678 8.079 105 H GLU 13 HN GLU 13 11.570 6.850 2.071 106 HA GLU 13 HA GLU 13 12.230 9.049 0.141 107 1HB GLU 13 HB1 GLU 13 14.548 8.124 0.324 108 2HB GLU 13 HB2 GLU 13 13.915 8.676 1.873 109 1HG GLU 13 HG1 GLU 13 13.324 6.376 2.481 110 2HG GLU 13 HG2 GLU 13 13.869 5.801 0.906 111 H GLU 14 HN GLU 14 12.437 8.505 -2.021 112 HA GLU 14 HA GLU 14 11.146 6.202 -3.057 113 1HB GLU 14 HB2 GLU 14 11.558 8.366 -4.219 114 2HB GLU 14 HB1 GLU 14 13.274 7.970 -4.307 115 1HG GLU 14 HG1 GLU 14 12.814 6.028 -5.686 116 2HG GLU 14 HG2 GLU 14 11.074 6.246 -5.483 117 H LYS 15 HN LYS 15 14.609 6.843 -2.493 118 HA LYS 15 HA LYS 15 15.760 4.677 -3.827 119 1HB LYS 15 HB1 LYS 15 16.424 5.992 -1.178 120 2HB LYS 15 HB2 LYS 15 17.523 4.898 -2.016 121 1HG LYS 15 HG2 LYS 15 17.493 6.383 -3.990 122 2HG LYS 15 HG1 LYS 15 16.392 7.476 -3.151 123 1HD LYS 15 HD2 LYS 15 18.094 7.832 -1.392 124 2HD LYS 15 HD1 LYS 15 19.193 6.742 -2.239 125 1HE LYS 15 HE1 LYS 15 18.497 8.502 -4.245 126 2HE LYS 15 HE2 LYS 15 18.541 9.557 -2.820 127 1HZ LYS 15 HZ1 LYS 15 20.685 8.501 -2.230 128 2HZ LYS 15 HZ2 LYS 15 20.757 9.353 -3.699 129 3HZ LYS 15 HZ3 LYS 15 20.655 7.657 -3.702 130 H LEU 16 HN LEU 16 14.512 4.703 -0.465 131 HA LEU 16 HA LEU 16 14.941 1.866 -0.028 132 1HB LEU 16 HB2 LEU 16 14.668 3.706 1.698 133 2HB LEU 16 HB1 LEU 16 12.952 3.744 1.286 134 HG LEU 16 HG LEU 16 14.275 1.139 2.016 135 1HD1 LEU 16 HD11 LEU 16 14.503 1.696 4.186 136 2HD1 LEU 16 HD12 LEU 16 12.869 2.359 4.238 137 3HD1 LEU 16 HD13 LEU 16 14.217 3.374 3.723 138 1HD2 LEU 16 HD21 LEU 16 11.698 1.914 1.239 139 2HD2 LEU 16 HD22 LEU 16 11.582 1.675 2.981 140 3HD2 LEU 16 HD23 LEU 16 12.156 0.367 1.948 141 H ALA 17 HN ALA 17 12.239 3.846 -1.213 142 HA ALA 17 HA ALA 17 10.221 1.837 -1.351 143 1HB ALA 17 HB1 ALA 17 10.122 4.367 -1.764 144 2HB ALA 17 HB2 ALA 17 9.192 3.371 -2.884 145 3HB ALA 17 HB3 ALA 17 10.754 4.027 -3.375 146 H LEU 18 HN LEU 18 12.658 2.830 -3.787 147 HA LEU 18 HA LEU 18 12.110 0.805 -5.735 148 1HB LEU 18 HB2 LEU 18 13.749 2.960 -5.475 149 2HB LEU 18 HB1 LEU 18 14.908 1.655 -5.220 150 HG LEU 18 HG LEU 18 13.012 1.874 -7.573 151 1HD1 LEU 18 HD21 LEU 18 15.651 1.926 -8.466 152 2HD1 LEU 18 HD22 LEU 18 15.666 2.963 -7.039 153 3HD1 LEU 18 HD23 LEU 18 14.562 3.311 -8.369 154 1HD2 LEU 18 HD11 LEU 18 14.513 -0.316 -6.459 155 2HD2 LEU 18 HD12 LEU 18 15.180 0.101 -8.038 156 3HD2 LEU 18 HD13 LEU 18 13.471 -0.309 -7.883 157 H ASP 19 HN ASP 19 14.199 0.846 -2.847 158 HA ASP 19 HA ASP 19 15.290 -1.797 -3.124 159 1HB ASP 19 HB2 ASP 19 16.092 -0.058 -1.550 160 2HB ASP 19 HB1 ASP 19 14.575 -0.168 -0.662 161 H LEU 20 HN LEU 20 12.266 -0.562 -1.679 162 HA LEU 20 HA LEU 20 11.349 -3.067 -0.622 163 1HB LEU 20 HB1 LEU 20 9.663 -1.711 0.080 164 2HB LEU 20 HB2 LEU 20 10.573 -0.396 -0.656 165 HG LEU 20 HG LEU 20 9.316 -0.898 -2.817 166 1HD1 LEU 20 HD11 LEU 20 7.143 -2.156 -1.271 167 2HD1 LEU 20 HD12 LEU 20 8.556 -3.182 -1.518 168 3HD1 LEU 20 HD13 LEU 20 7.706 -2.501 -2.906 169 1HD2 LEU 20 HD21 LEU 20 7.050 -0.118 -1.437 170 2HD2 LEU 20 HD22 LEU 20 8.316 0.957 -2.029 171 3HD2 LEU 20 HD23 LEU 20 8.364 0.370 -0.366 172 H LEU 21 HN LEU 21 10.824 -1.472 -3.768 173 HA LEU 21 HA LEU 21 9.028 -3.354 -4.886 174 1HB LEU 21 HB2 LEU 21 11.122 -1.470 -5.973 175 2HB LEU 21 HB1 LEU 21 10.116 -2.436 -7.054 176 HG LEU 21 HG LEU 21 8.553 -1.124 -4.960 177 1HD1 LEU 21 HD11 LEU 21 8.858 1.099 -6.435 178 2HD1 LEU 21 HD12 LEU 21 10.489 0.449 -6.593 179 3HD1 LEU 21 HD13 LEU 21 9.828 0.795 -4.995 180 1HD2 LEU 21 HD21 LEU 21 7.084 -1.530 -6.621 181 2HD2 LEU 21 HD22 LEU 21 8.395 -1.909 -7.739 182 3HD2 LEU 21 HD23 LEU 21 7.852 -0.242 -7.550 183 H GLU 22 HN GLU 22 12.595 -3.183 -5.175 184 HA GLU 22 HA GLU 22 12.925 -5.635 -6.631 185 1HB GLU 22 HB1 GLU 22 14.585 -3.776 -6.348 186 2HB GLU 22 HB2 GLU 22 14.798 -4.274 -4.670 187 1HG GLU 22 HG2 GLU 22 15.534 -6.504 -5.412 188 2HG GLU 22 HG1 GLU 22 15.292 -6.031 -7.094 189 H GLN 23 HN GLN 23 12.885 -4.911 -3.141 190 HA GLN 23 HA GLN 23 13.720 -7.440 -2.173 191 1HB GLN 23 HB2 GLN 23 13.503 -5.368 -0.851 192 2HB GLN 23 HB1 GLN 23 11.750 -5.432 -1.030 193 1HG GLN 23 HG1 GLN 23 12.306 -6.364 1.133 194 2HG GLN 23 HG2 GLN 23 11.795 -7.690 0.089 195 1HE2 GLN 23 HE21 GLN 23 13.088 -9.325 1.138 196 2HE2 GLN 23 HE22 GLN 23 14.785 -9.313 1.085 197 H ILE 24 HN ILE 24 10.450 -6.271 -3.000 198 HA ILE 24 HA ILE 24 9.060 -8.672 -2.199 199 HB ILE 24 HB ILE 24 8.424 -6.529 -4.250 200 1HG1 ILE 24 HG11 ILE 24 7.528 -6.749 -1.365 201 2HG1 ILE 24 HG12 ILE 24 8.902 -5.771 -1.877 202 1HG2 ILE 24 HG21 ILE 24 6.165 -7.697 -2.868 203 2HG2 ILE 24 HG22 ILE 24 7.097 -8.951 -3.686 204 3HG2 ILE 24 HG23 ILE 24 6.464 -7.584 -4.602 205 1HD1 ILE 24 HD11 ILE 24 6.834 -4.416 -1.722 206 2HD1 ILE 24 HD12 ILE 24 6.061 -5.474 -2.901 207 3HD1 ILE 24 HD13 ILE 24 7.438 -4.481 -3.378 208 H LYS 25 HN LYS 25 10.471 -7.555 -5.283 209 HA LYS 25 HA LYS 25 9.658 -9.812 -6.880 210 1HB LYS 25 HB2 LYS 25 11.997 -7.879 -6.982 211 2HB LYS 25 HB1 LYS 25 11.620 -9.016 -8.274 212 1HG LYS 25 HG1 LYS 25 9.384 -7.999 -8.518 213 2HG LYS 25 HG2 LYS 25 9.760 -6.861 -7.225 214 1HD LYS 25 HD2 LYS 25 11.649 -5.979 -8.551 215 2HD LYS 25 HD1 LYS 25 11.273 -7.117 -9.845 216 1HE LYS 25 HE1 LYS 25 9.114 -6.059 -10.225 217 2HE LYS 25 HE2 LYS 25 9.337 -5.011 -8.811 218 1HZ LYS 25 HZ1 LYS 25 10.001 -3.925 -10.915 219 2HZ LYS 25 HZ2 LYS 25 11.176 -5.130 -11.150 220 3HZ LYS 25 HZ3 LYS 25 11.294 -4.070 -9.828 221 H ASN 26 HN ASN 26 12.855 -9.067 -5.447 222 HA ASN 26 HA ASN 26 14.018 -11.646 -5.808 223 1HB ASN 26 HB2 ASN 26 15.187 -9.518 -5.272 224 2HB ASN 26 HB1 ASN 26 14.478 -9.550 -3.663 225 1HD2 ASN 26 HD21 ASN 26 17.019 -9.580 -3.218 226 2HD2 ASN 26 HD22 ASN 26 17.708 -11.123 -3.063 227 H GLY 27 HN GLY 27 12.564 -10.198 -2.900 228 1HA GLY 27 HA2 GLY 27 12.748 -12.842 -1.596 229 2HA GLY 27 HA1 GLY 27 12.620 -11.286 -0.778 230 H ALA 28 HN ALA 28 10.360 -10.821 -2.947 231 HA ALA 28 HA ALA 28 8.016 -10.637 -2.594 232 1HB ALA 28 HB1 ALA 28 7.237 -12.516 -3.605 233 2HB ALA 28 HB2 ALA 28 7.830 -13.555 -2.310 234 3HB ALA 28 HB3 ALA 28 8.919 -13.045 -3.599 235 H ASP 29 HN ASP 29 7.727 -9.715 -0.539 236 HA ASP 29 HA ASP 29 6.595 -11.423 1.536 237 1HB ASP 29 HB2 ASP 29 9.446 -10.751 1.393 238 2HB ASP 29 HB1 ASP 29 8.720 -10.336 2.949 239 H PHE 30 HN PHE 30 4.931 -9.754 1.214 240 HA PHE 30 HA PHE 30 5.469 -6.947 1.490 241 1HB PHE 30 HB1 PHE 30 3.163 -8.791 1.284 242 2HB PHE 30 HB2 PHE 30 2.814 -7.248 2.067 243 HD1 PHE 30 HD1 PHE 30 3.914 -8.881 -1.064 244 HD2 PHE 30 HD2 PHE 30 3.021 -5.139 0.858 245 HE1 PHE 30 HE1 PHE 30 3.902 -7.750 -3.270 246 HE2 PHE 30 HE2 PHE 30 3.009 -4.010 -1.351 247 HZ PHE 30 HZ PHE 30 3.450 -5.315 -3.415 248 H GLY 31 HN GLY 31 4.343 -9.407 3.823 249 1HA GLY 31 HA1 GLY 31 3.774 -7.609 5.955 250 2HA GLY 31 HA2 GLY 31 4.187 -9.310 6.164 251 H LYS 32 HN LYS 32 6.759 -9.496 5.327 252 HA LYS 32 HA LYS 32 8.272 -8.380 7.484 253 1HB LYS 32 HB2 LYS 32 8.906 -10.416 6.317 254 2HB LYS 32 HB1 LYS 32 9.049 -9.543 4.791 255 1HG LYS 32 HG1 LYS 32 10.867 -8.163 5.776 256 2HG LYS 32 HG2 LYS 32 10.745 -9.094 7.267 257 1HD LYS 32 HD2 LYS 32 11.365 -11.138 6.094 258 2HD LYS 32 HD1 LYS 32 11.360 -10.289 4.549 259 1HE LYS 32 HE1 LYS 32 13.210 -8.843 5.331 260 2HE LYS 32 HE2 LYS 32 13.213 -9.693 6.888 261 1HZ LYS 32 HZ1 LYS 32 13.846 -10.756 4.198 262 2HZ LYS 32 HZ2 LYS 32 13.373 -11.792 5.458 263 3HZ LYS 32 HZ3 LYS 32 14.777 -10.848 5.612 264 H LEU 33 HN LEU 33 7.950 -7.393 4.066 265 HA LEU 33 HA LEU 33 9.990 -5.440 4.044 266 1HB LEU 33 HB2 LEU 33 8.971 -6.279 2.034 267 2HB LEU 33 HB1 LEU 33 7.371 -5.745 2.557 268 HG LEU 33 HG LEU 33 8.267 -3.385 2.558 269 1HD1 LEU 33 HD11 LEU 33 10.465 -4.287 0.756 270 2HD1 LEU 33 HD12 LEU 33 10.711 -4.494 2.490 271 3HD1 LEU 33 HD13 LEU 33 10.395 -2.890 1.829 272 1HD2 LEU 33 HD21 LEU 33 8.619 -4.540 -0.188 273 2HD2 LEU 33 HD22 LEU 33 7.742 -3.094 0.308 274 3HD2 LEU 33 HD23 LEU 33 7.054 -4.689 0.610 275 H ALA 34 HN ALA 34 6.477 -4.967 4.616 276 HA ALA 34 HA ALA 34 6.582 -2.165 5.078 277 1HB ALA 34 HB1 ALA 34 4.608 -3.795 4.749 278 2HB ALA 34 HB2 ALA 34 4.376 -2.486 5.907 279 3HB ALA 34 HB3 ALA 34 4.745 -4.114 6.477 280 H LYS 35 HN LYS 35 6.734 -4.874 7.425 281 HA LYS 35 HA LYS 35 6.859 -3.301 9.775 282 1HB LYS 35 HB1 LYS 35 7.978 -6.014 9.024 283 2HB LYS 35 HB2 LYS 35 7.966 -5.409 10.680 284 1HG LYS 35 HG1 LYS 35 5.512 -5.151 10.568 285 2HG LYS 35 HG2 LYS 35 5.524 -5.756 8.911 286 1HD LYS 35 HD1 LYS 35 6.478 -7.895 9.698 287 2HD LYS 35 HD2 LYS 35 6.467 -7.290 11.355 288 1HE LYS 35 HE1 LYS 35 3.905 -7.247 9.778 289 2HE LYS 35 HE2 LYS 35 4.449 -8.767 10.509 290 1HZ LYS 35 HZ1 LYS 35 4.802 -7.484 12.602 291 2HZ LYS 35 HZ2 LYS 35 3.171 -7.594 12.135 292 3HZ LYS 35 HZ3 LYS 35 4.038 -6.156 11.874 293 H LYS 36 HN LYS 36 9.577 -4.679 7.891 294 HA LYS 36 HA LYS 36 11.626 -3.582 9.567 295 1HB LYS 36 HB2 LYS 36 11.862 -5.528 8.077 296 2HB LYS 36 HB1 LYS 36 11.631 -4.489 6.671 297 1HG LYS 36 HG1 LYS 36 14.029 -4.925 7.059 298 2HG LYS 36 HG2 LYS 36 13.656 -3.214 7.279 299 1HD LYS 36 HD1 LYS 36 13.642 -3.457 9.681 300 2HD LYS 36 HD2 LYS 36 13.762 -5.212 9.556 301 1HE LYS 36 HE2 LYS 36 16.002 -5.027 8.579 302 2HE LYS 36 HE1 LYS 36 15.879 -3.257 8.579 303 1HZ LYS 36 HZ1 LYS 36 16.960 -4.484 10.596 304 2HZ LYS 36 HZ2 LYS 36 15.347 -4.745 11.061 305 3HZ LYS 36 HZ3 LYS 36 15.931 -3.163 10.864 306 H HIS 37 HN HIS 37 10.532 -2.560 6.306 307 HA HIS 37 HA HIS 37 12.366 -0.316 6.315 308 1HB HIS 37 HB1 HIS 37 10.171 -1.301 4.480 309 2HB HIS 37 HB2 HIS 37 11.209 0.070 4.082 310 HD1 HIS 37 HD1 HIS 37 13.686 -0.421 3.526 311 HD2 HIS 37 HD2 HIS 37 11.503 -3.838 4.493 312 HE1 HIS 37 HE1 HIS 37 15.145 -2.400 2.916 313 H SER 38 HN SER 38 8.807 -0.587 6.588 314 HA SER 38 HA SER 38 8.182 2.163 6.339 315 1HB SER 38 HB1 SER 38 6.650 0.156 6.358 316 2HB SER 38 HB2 SER 38 6.840 0.101 8.110 317 HG SER 38 HG SER 38 5.196 1.608 6.683 318 H ILE 39 HN ILE 39 8.907 0.270 9.274 319 HA ILE 39 HA ILE 39 9.188 1.019 11.523 320 HB ILE 39 HB ILE 39 11.000 2.784 9.845 321 1HG1 ILE 39 HG12 ILE 39 11.604 0.102 11.112 322 2HG1 ILE 39 HG11 ILE 39 11.055 0.264 9.444 323 1HG2 ILE 39 HG21 ILE 39 11.513 3.646 11.884 324 2HG2 ILE 39 HG22 ILE 39 12.337 2.110 12.157 325 3HG2 ILE 39 HG23 ILE 39 10.688 2.341 12.737 326 1HD1 ILE 39 HD11 ILE 39 13.542 0.172 9.623 327 2HD1 ILE 39 HD12 ILE 39 13.500 1.640 10.598 328 3HD1 ILE 39 HD13 ILE 39 12.973 1.684 8.916 329 H CYS 40 HN CYS 40 6.862 2.266 10.512 330 HA CYS 40 HA CYS 40 7.108 5.015 11.682 331 1HB CYS 40 HB1 CYS 40 5.802 5.860 9.839 332 2HB CYS 40 HB2 CYS 40 7.081 4.863 9.138 333 HG CYS 40 HG CYS 40 4.244 4.381 8.612 334 HA PRO 41 HA PRO 41 3.698 4.184 14.241 335 1HB PRO 41 HB2 PRO 41 2.009 6.345 13.536 336 2HB PRO 41 HB1 PRO 41 3.223 6.331 14.826 337 1HG PRO 41 HG1 PRO 41 3.367 7.465 12.105 338 2HG PRO 41 HG2 PRO 41 4.203 7.959 13.582 339 1HD PRO 41 HD1 PRO 41 5.434 6.654 11.545 340 2HD PRO 41 HD2 PRO 41 5.937 6.492 13.240 341 H SER 42 HN SER 42 3.134 4.723 10.832 342 HA SER 42 HA SER 42 0.593 3.145 11.000 343 1HB SER 42 HB2 SER 42 0.831 4.158 8.431 344 2HB SER 42 HB1 SER 42 -0.093 4.905 9.735 345 HG SER 42 HG SER 42 1.668 6.162 10.239 346 H GLY 43 HN GLY 43 3.579 2.288 10.919 347 1HA GLY 43 HA1 GLY 43 3.768 0.828 8.381 348 2HA GLY 43 HA2 GLY 43 4.885 0.691 9.742 349 H LYS 44 HN LYS 44 3.568 -0.186 11.809 350 HA LYS 44 HA LYS 44 2.808 -2.894 11.298 351 1HB LYS 44 HB2 LYS 44 2.380 -0.972 13.598 352 2HB LYS 44 HB1 LYS 44 1.960 -2.683 13.692 353 1HG LYS 44 HG1 LYS 44 4.295 -3.284 13.148 354 2HG LYS 44 HG2 LYS 44 4.714 -1.574 13.055 355 1HD LYS 44 HD1 LYS 44 4.072 -1.288 15.423 356 2HD LYS 44 HD2 LYS 44 3.654 -2.999 15.515 357 1HE LYS 44 HE2 LYS 44 6.050 -3.512 14.814 358 2HE LYS 44 HE1 LYS 44 6.401 -1.791 15.064 359 1HZ LYS 44 HZ1 LYS 44 4.861 -3.093 17.158 360 2HZ LYS 44 HZ2 LYS 44 6.127 -1.967 17.285 361 3HZ LYS 44 HZ3 LYS 44 6.471 -3.611 17.025 362 H ARG 45 HN ARG 45 0.905 0.097 11.538 363 HA ARG 45 HA ARG 45 -1.635 -1.409 11.351 364 1HB ARG 45 HB2 ARG 45 -1.665 0.423 12.847 365 2HB ARG 45 HB1 ARG 45 -0.764 1.457 11.739 366 1HG ARG 45 HG2 ARG 45 -3.076 2.168 11.708 367 2HG ARG 45 HG1 ARG 45 -2.729 1.366 10.175 368 1HD ARG 45 HD1 ARG 45 -3.783 -0.695 10.969 369 2HD ARG 45 HD2 ARG 45 -4.021 0.013 12.577 370 HE ARG 45 HE ARG 45 -5.141 1.683 10.477 371 1HH1 ARG 45 HH11 ARG 45 -5.628 -1.116 12.448 372 2HH1 ARG 45 HH12 ARG 45 -7.355 -1.024 12.374 373 1HH2 ARG 45 HH21 ARG 45 -7.394 1.808 10.377 374 2HH2 ARG 45 HH22 ARG 45 -8.352 0.626 11.205 375 H GLY 46 HN GLY 46 0.323 0.840 9.401 376 1HA GLY 46 HA2 GLY 46 -1.526 0.897 7.169 377 2HA GLY 46 HA1 GLY 46 0.153 1.435 7.132 378 H GLY 47 HN GLY 47 1.091 -1.175 8.203 379 1HA GLY 47 HA2 GLY 47 1.239 -2.690 5.703 380 2HA GLY 47 HA1 GLY 47 1.957 -3.155 7.238 381 H ASP 48 HN ASP 48 -1.159 -2.332 7.932 382 HA ASP 48 HA ASP 48 -2.583 -4.724 7.076 383 1HB ASP 48 HB2 ASP 48 -0.782 -5.276 8.942 384 2HB ASP 48 HB1 ASP 48 -1.992 -4.580 10.020 385 H LEU 49 HN LEU 49 -3.574 -2.361 6.660 386 HA LEU 49 HA LEU 49 -4.864 -1.019 8.863 387 1HB LEU 49 HB1 LEU 49 -5.212 -1.035 5.851 388 2HB LEU 49 HB2 LEU 49 -6.122 0.047 6.906 389 HG LEU 49 HG LEU 49 -3.142 -0.069 7.213 390 1HD1 LEU 49 HD11 LEU 49 -3.708 2.028 5.412 391 2HD1 LEU 49 HD12 LEU 49 -4.505 0.601 4.747 392 3HD1 LEU 49 HD13 LEU 49 -2.773 0.569 5.083 393 1HD2 LEU 49 HD21 LEU 49 -4.500 1.288 8.747 394 2HD2 LEU 49 HD22 LEU 49 -5.224 2.132 7.379 395 3HD2 LEU 49 HD23 LEU 49 -3.505 2.331 7.730 396 H GLY 50 HN GLY 50 -5.792 -3.700 6.755 397 1HA GLY 50 HA2 GLY 50 -7.502 -5.289 7.362 398 2HA GLY 50 HA1 GLY 50 -8.215 -4.075 8.426 399 H GLU 51 HN GLU 51 -10.261 -3.825 7.592 400 HA GLU 51 HA GLU 51 -10.491 -3.286 4.653 401 1HB GLU 51 HB2 GLU 51 -11.626 -5.295 5.838 402 2HB GLU 51 HB1 GLU 51 -12.717 -4.090 6.525 403 1HG GLU 51 HG2 GLU 51 -13.428 -3.376 4.341 404 2HG GLU 51 HG1 GLU 51 -12.169 -4.334 3.557 405 H PHE 52 HN PHE 52 -11.710 -1.460 4.011 406 HA PHE 52 HA PHE 52 -12.327 0.501 6.192 407 1HB PHE 52 HB1 PHE 52 -11.392 1.761 3.754 408 2HB PHE 52 HB2 PHE 52 -10.712 1.854 5.374 409 HD1 PHE 52 HD1 PHE 52 -10.556 0.118 2.127 410 HD2 PHE 52 HD2 PHE 52 -8.919 0.366 6.094 411 HE1 PHE 52 HE1 PHE 52 -8.657 -1.300 1.429 412 HE2 PHE 52 HE2 PHE 52 -7.012 -1.052 5.393 413 HZ PHE 52 HZ PHE 52 -6.876 -1.887 3.063 414 H ARG 53 HN ARG 53 -13.831 2.237 5.510 415 HA ARG 53 HA ARG 53 -15.560 1.616 3.167 416 1HB ARG 53 HB2 ARG 53 -17.486 1.247 4.630 417 2HB ARG 53 HB1 ARG 53 -16.193 0.139 5.087 418 1HG ARG 53 HG1 ARG 53 -15.487 1.841 6.828 419 2HG ARG 53 HG2 ARG 53 -16.968 2.726 6.461 420 1HD ARG 53 HD2 ARG 53 -18.299 0.697 7.032 421 2HD ARG 53 HD1 ARG 53 -16.799 -0.139 7.470 422 HE ARG 53 HE ARG 53 -18.088 2.006 9.005 423 1HH1 ARG 53 HH11 ARG 53 -15.164 0.332 8.236 424 2HH1 ARG 53 HH12 ARG 53 -14.395 0.728 9.736 425 1HH2 ARG 53 HH21 ARG 53 -17.092 2.524 10.959 426 2HH2 ARG 53 HH22 ARG 53 -15.483 1.967 11.274 427 H GLN 54 HN GLN 54 -17.540 3.203 3.296 428 HA GLN 54 HA GLN 54 -17.969 5.525 2.860 429 1HB GLN 54 HB2 GLN 54 -17.731 5.036 5.832 430 2HB GLN 54 HB1 GLN 54 -18.443 6.503 5.163 431 1HG GLN 54 HG2 GLN 54 -20.087 5.138 3.922 432 2HG GLN 54 HG1 GLN 54 -19.374 3.671 4.591 433 1HE2 GLN 54 HE21 GLN 54 -21.896 5.820 5.064 434 2HE2 GLN 54 HE22 GLN 54 -22.163 5.568 6.721 435 H GLY 55 HN GLY 55 -16.057 6.127 5.776 436 1HA GLY 55 HA2 GLY 55 -14.961 8.524 4.842 437 2HA GLY 55 HA1 GLY 55 -14.240 7.572 6.137 438 H GLN 56 HN GLN 56 -12.168 6.965 5.733 439 HA GLN 56 HA GLN 56 -10.226 6.306 4.525 440 1HB GLN 56 HB2 GLN 56 -12.053 5.989 2.136 441 2HB GLN 56 HB1 GLN 56 -10.597 5.073 2.529 442 1HG GLN 56 HG1 GLN 56 -13.289 4.890 3.886 443 2HG GLN 56 HG2 GLN 56 -12.402 3.615 3.055 444 1HE2 GLN 56 HE21 GLN 56 -13.258 4.307 6.070 445 2HE2 GLN 56 HE22 GLN 56 -11.860 3.854 6.934 446 H MET 57 HN MET 57 -12.344 7.799 2.124 447 HA MET 57 HA MET 57 -12.196 9.833 0.956 448 1HB MET 57 HB2 MET 57 -11.897 10.443 3.433 449 2HB MET 57 HB1 MET 57 -10.172 10.560 3.076 450 1HG MET 57 HG2 MET 57 -10.769 12.165 1.208 451 2HG MET 57 HG1 MET 57 -12.420 12.169 1.832 452 1HE MET 57 HE1 MET 57 -8.611 13.918 3.119 453 2HE MET 57 HE2 MET 57 -8.898 12.321 2.433 454 3HE MET 57 HE3 MET 57 -8.797 12.515 4.181 455 H VAL 58 HN VAL 58 -8.899 9.130 2.185 456 HA VAL 58 HA VAL 58 -7.391 10.586 0.478 457 HB VAL 58 HB VAL 58 -6.336 9.237 2.130 458 1HG1 VAL 58 HG21 VAL 58 -8.044 7.461 2.150 459 2HG1 VAL 58 HG22 VAL 58 -6.421 6.772 2.065 460 3HG1 VAL 58 HG23 VAL 58 -7.425 6.848 0.617 461 1HG2 VAL 58 HG11 VAL 58 -5.624 8.192 -0.629 462 2HG2 VAL 58 HG12 VAL 58 -4.647 7.915 0.813 463 3HG2 VAL 58 HG13 VAL 58 -4.882 9.556 0.209 464 HA PRO 59 HA PRO 59 -8.495 9.445 -3.573 465 1HB PRO 59 HB2 PRO 59 -6.341 10.544 -4.888 466 2HB PRO 59 HB1 PRO 59 -7.695 11.493 -4.247 467 1HG PRO 59 HG1 PRO 59 -4.973 11.070 -3.131 468 2HG PRO 59 HG2 PRO 59 -6.002 12.508 -3.084 469 1HD PRO 59 HD2 PRO 59 -5.655 10.796 -0.968 470 2HD PRO 59 HD1 PRO 59 -7.095 11.809 -1.202 471 H ALA 60 HN ALA 60 -4.964 9.070 -3.038 472 HA ALA 60 HA ALA 60 -4.286 7.340 -5.032 473 1HB ALA 60 HB1 ALA 60 -3.213 6.372 -2.506 474 2HB ALA 60 HB2 ALA 60 -3.266 8.134 -2.536 475 3HB ALA 60 HB3 ALA 60 -2.392 7.257 -3.793 476 H PHE 61 HN PHE 61 -6.090 6.452 -2.119 477 HA PHE 61 HA PHE 61 -6.000 3.624 -2.380 478 1HB PHE 61 HB2 PHE 61 -6.834 5.005 -0.453 479 2HB PHE 61 HB1 PHE 61 -8.269 5.388 -1.403 480 HD1 PHE 61 HD1 PHE 61 -6.444 2.756 0.407 481 HD2 PHE 61 HD2 PHE 61 -9.951 3.674 -1.904 482 HE1 PHE 61 HE1 PHE 61 -7.473 0.618 1.122 483 HE2 PHE 61 HE2 PHE 61 -10.983 1.533 -1.187 484 HZ PHE 61 HZ PHE 61 -9.743 0.005 0.328 485 H ASP 62 HN ASP 62 -8.303 5.997 -3.733 486 HA ASP 62 HA ASP 62 -10.008 4.062 -5.019 487 1HB ASP 62 HB1 ASP 62 -10.597 6.406 -4.428 488 2HB ASP 62 HB2 ASP 62 -9.458 6.981 -5.644 489 H LYS 63 HN LYS 63 -7.315 6.068 -6.257 490 HA LYS 63 HA LYS 63 -7.526 5.369 -8.969 491 1HB LYS 63 HB1 LYS 63 -6.059 7.111 -8.024 492 2HB LYS 63 HB2 LYS 63 -5.055 5.868 -7.278 493 1HG LYS 63 HG1 LYS 63 -3.981 6.530 -9.340 494 2HG LYS 63 HG2 LYS 63 -4.663 4.922 -9.589 495 1HD LYS 63 HD2 LYS 63 -6.677 5.979 -10.619 496 2HD LYS 63 HD1 LYS 63 -5.903 7.555 -10.449 497 1HE LYS 63 HE1 LYS 63 -4.660 7.212 -12.317 498 2HE LYS 63 HE2 LYS 63 -4.125 5.625 -11.733 499 1HZ LYS 63 HZ1 LYS 63 -6.067 4.607 -12.517 500 2HZ LYS 63 HZ2 LYS 63 -5.630 5.660 -13.777 501 3HZ LYS 63 HZ3 LYS 63 -6.884 6.082 -12.710 502 H VAL 64 HN VAL 64 -5.531 3.744 -6.463 503 HA VAL 64 HA VAL 64 -4.488 1.792 -8.277 504 HB VAL 64 HB VAL 64 -3.373 2.393 -6.201 505 1HG1 VAL 64 HG21 VAL 64 -5.845 2.530 -5.084 506 2HG1 VAL 64 HG22 VAL 64 -4.366 2.403 -4.135 507 3HG1 VAL 64 HG23 VAL 64 -5.321 0.962 -4.475 508 1HG2 VAL 64 HG11 VAL 64 -2.816 0.180 -6.858 509 2HG2 VAL 64 HG12 VAL 64 -4.389 -0.447 -6.366 510 3HG2 VAL 64 HG13 VAL 64 -3.214 0.044 -5.145 511 H VAL 65 HN VAL 65 -7.165 1.466 -5.863 512 HA VAL 65 HA VAL 65 -7.829 -1.240 -6.569 513 HB VAL 65 HB VAL 65 -8.665 0.180 -4.613 514 1HG1 VAL 65 HG21 VAL 65 -10.532 1.197 -6.779 515 2HG1 VAL 65 HG22 VAL 65 -9.333 2.159 -5.910 516 3HG1 VAL 65 HG23 VAL 65 -10.719 1.491 -5.051 517 1HG2 VAL 65 HG11 VAL 65 -9.839 -1.944 -6.039 518 2HG2 VAL 65 HG12 VAL 65 -11.163 -0.828 -5.697 519 3HG2 VAL 65 HG13 VAL 65 -10.187 -1.469 -4.375 520 H PHE 66 HN PHE 66 -8.343 1.836 -8.156 521 HA PHE 66 HA PHE 66 -10.082 0.572 -10.233 522 1HB PHE 66 HB1 PHE 66 -9.351 3.334 -9.333 523 2HB PHE 66 HB2 PHE 66 -9.857 3.115 -11.009 524 HD1 PHE 66 HD1 PHE 66 -10.890 2.896 -7.476 525 HD2 PHE 66 HD2 PHE 66 -12.125 2.391 -11.562 526 HE1 PHE 66 HE1 PHE 66 -13.258 2.815 -6.747 527 HE2 PHE 66 HE2 PHE 66 -14.497 2.307 -10.832 528 HZ PHE 66 HZ PHE 66 -15.063 2.519 -8.425 529 H SER 67 HN SER 67 -6.846 0.918 -9.562 530 HA SER 67 HA SER 67 -5.975 1.165 -12.387 531 1HB SER 67 HB1 SER 67 -4.895 2.423 -10.450 532 2HB SER 67 HB2 SER 67 -4.310 0.859 -9.882 533 HG SER 67 HG SER 67 -3.599 0.750 -12.266 534 H CYS 68 HN CYS 68 -5.267 -0.920 -9.566 535 HA CYS 68 HA CYS 68 -4.934 -3.236 -11.435 536 1HB CYS 68 HB2 CYS 68 -3.679 -4.196 -9.488 537 2HB CYS 68 HB1 CYS 68 -2.992 -2.675 -10.061 538 HG CYS 68 HG CYS 68 -3.314 -2.651 -7.401 539 HA PRO 69 HA PRO 69 -8.642 -4.949 -9.801 540 1HB PRO 69 HB1 PRO 69 -8.136 -7.599 -10.312 541 2HB PRO 69 HB2 PRO 69 -8.610 -6.436 -11.563 542 1HG PRO 69 HG2 PRO 69 -5.922 -7.518 -10.894 543 2HG PRO 69 HG1 PRO 69 -6.615 -7.119 -12.471 544 1HD PRO 69 HD2 PRO 69 -4.822 -5.535 -11.136 545 2HD PRO 69 HD1 PRO 69 -5.996 -4.922 -12.319 546 H VAL 70 HN VAL 70 -9.321 -6.709 -8.194 547 HA VAL 70 HA VAL 70 -7.957 -6.490 -5.708 548 HB VAL 70 HB VAL 70 -10.326 -7.073 -6.035 549 1HG1 VAL 70 HG11 VAL 70 -10.523 -9.691 -6.660 550 2HG1 VAL 70 HG12 VAL 70 -9.084 -9.275 -7.592 551 3HG1 VAL 70 HG13 VAL 70 -10.596 -8.411 -7.871 552 1HG2 VAL 70 HG21 VAL 70 -8.538 -8.969 -4.551 553 2HG2 VAL 70 HG22 VAL 70 -10.266 -9.302 -4.630 554 3HG2 VAL 70 HG23 VAL 70 -9.690 -7.795 -3.918 555 H LEU 71 HN LEU 71 -6.783 -8.198 -4.543 556 HA LEU 71 HA LEU 71 -5.024 -9.766 -4.384 557 1HB LEU 71 HB2 LEU 71 -6.537 -10.785 -6.811 558 2HB LEU 71 HB1 LEU 71 -5.248 -11.683 -6.012 559 HG LEU 71 HG LEU 71 -6.864 -10.983 -3.893 560 1HD1 LEU 71 HD21 LEU 71 -9.057 -10.853 -4.489 561 2HD1 LEU 71 HD22 LEU 71 -8.883 -12.079 -5.745 562 3HD1 LEU 71 HD23 LEU 71 -8.427 -10.407 -6.075 563 1HD2 LEU 71 HD11 LEU 71 -7.813 -13.443 -4.493 564 2HD2 LEU 71 HD12 LEU 71 -6.197 -13.178 -3.837 565 3HD2 LEU 71 HD13 LEU 71 -6.421 -13.397 -5.573 566 H GLU 72 HN GLU 72 -4.533 -7.283 -5.781 567 HA GLU 72 HA GLU 72 -2.264 -8.162 -7.487 568 1HB GLU 72 HB1 GLU 72 -4.572 -7.644 -8.694 569 2HB GLU 72 HB2 GLU 72 -4.062 -5.970 -8.469 570 1HG GLU 72 HG2 GLU 72 -2.514 -8.157 -9.890 571 2HG GLU 72 HG1 GLU 72 -3.269 -6.749 -10.636 572 HA PRO 73 HA PRO 73 -1.074 -4.822 -4.595 573 1HB PRO 73 HB2 PRO 73 1.615 -5.911 -5.118 574 2HB PRO 73 HB1 PRO 73 0.774 -5.698 -3.574 575 1HG PRO 73 HG1 PRO 73 1.209 -8.118 -4.703 576 2HG PRO 73 HG2 PRO 73 -0.177 -7.768 -3.662 577 1HD PRO 73 HD1 PRO 73 -0.056 -8.057 -6.620 578 2HD PRO 73 HD2 PRO 73 -1.363 -8.473 -5.491 579 H THR 74 HN THR 74 -0.607 -2.794 -5.378 580 HA THR 74 HA THR 74 1.058 -2.578 -7.860 581 HB THR 74 HB THR 74 -1.633 -1.340 -7.221 582 HG1 THR 74 HG1 THR 74 -0.881 -2.815 -9.497 583 1HG2 THR 74 HG21 THR 74 -0.790 0.430 -8.387 584 2HG2 THR 74 HG22 THR 74 -1.098 -0.604 -9.782 585 3HG2 THR 74 HG23 THR 74 0.519 -0.526 -9.082 586 H GLY 75 HN GLY 75 2.456 -0.818 -7.858 587 1HA GLY 75 HA1 GLY 75 2.430 1.645 -6.775 588 2HA GLY 75 HA2 GLY 75 2.669 0.676 -5.322 589 HA PRO 76 HA PRO 76 3.861 1.959 -4.405 590 1HB PRO 76 HB1 PRO 76 5.752 3.899 -4.041 591 2HB PRO 76 HB2 PRO 76 5.909 2.260 -3.386 592 1HG PRO 76 HG2 PRO 76 7.198 3.489 -5.761 593 2HG PRO 76 HG1 PRO 76 7.833 2.289 -4.626 594 1HD PRO 76 HD1 PRO 76 6.866 1.727 -7.154 595 2HD PRO 76 HD2 PRO 76 7.006 0.552 -5.831 596 H LEU 77 HN LEU 77 2.379 3.629 -4.580 597 HA LEU 77 HA LEU 77 2.439 5.306 -7.033 598 1HB LEU 77 HB2 LEU 77 0.427 4.612 -4.891 599 2HB LEU 77 HB1 LEU 77 0.123 5.927 -6.028 600 HG LEU 77 HG LEU 77 0.867 3.120 -6.893 601 1HD1 LEU 77 HD11 LEU 77 -1.571 4.000 -5.747 602 2HD1 LEU 77 HD12 LEU 77 -1.265 2.472 -6.573 603 3HD1 LEU 77 HD13 LEU 77 -1.854 3.864 -7.482 604 1HD2 LEU 77 HD21 LEU 77 0.470 5.687 -8.215 605 2HD2 LEU 77 HD22 LEU 77 -0.613 4.451 -8.858 606 3HD2 LEU 77 HD23 LEU 77 1.131 4.187 -8.867 607 H HIS 78 HN HIS 78 1.306 7.637 -6.313 608 HA HIS 78 HA HIS 78 3.360 8.770 -4.460 609 1HB HIS 78 HB1 HIS 78 1.798 9.872 -6.811 610 2HB HIS 78 HB2 HIS 78 2.907 10.838 -5.834 611 HD1 HIS 78 HD1 HIS 78 2.980 9.266 -8.923 612 HD2 HIS 78 HD2 HIS 78 5.511 9.006 -5.622 613 HE1 HIS 78 HE1 HIS 78 5.187 8.372 -9.784 614 H THR 79 HN THR 79 2.625 9.472 -2.531 615 HA THR 79 HA THR 79 0.091 11.025 -2.472 616 HB THR 79 HB THR 79 -0.396 8.710 -1.654 617 HG1 THR 79 HG1 THR 79 -0.335 10.635 0.423 618 1HG2 THR 79 HG21 THR 79 1.382 7.737 -0.614 619 2HG2 THR 79 HG22 THR 79 0.750 8.541 0.822 620 3HG2 THR 79 HG23 THR 79 2.052 9.286 -0.104 621 H GLN 80 HN GLN 80 0.068 12.467 -0.505 622 HA GLN 80 HA GLN 80 2.391 14.009 -0.323 623 1HB GLN 80 HB1 GLN 80 0.094 14.673 0.321 624 2HB GLN 80 HB2 GLN 80 0.193 13.624 1.734 625 1HG GLN 80 HG2 GLN 80 2.110 14.936 2.574 626 2HG GLN 80 HG1 GLN 80 2.009 15.985 1.160 627 1HE2 GLN 80 HE21 GLN 80 1.203 17.940 2.000 628 2HE2 GLN 80 HE22 GLN 80 -0.206 18.070 2.937 629 H PHE 81 HN PHE 81 1.399 11.300 1.766 630 HA PHE 81 HA PHE 81 3.349 11.651 3.815 631 1HB PHE 81 HB2 PHE 81 1.894 9.251 2.682 632 2HB PHE 81 HB1 PHE 81 2.887 9.165 4.137 633 HD1 PHE 81 HD1 PHE 81 2.368 10.897 6.014 634 HD2 PHE 81 HD2 PHE 81 -0.354 9.916 2.834 635 HE1 PHE 81 HE1 PHE 81 0.477 11.772 7.363 636 HE2 PHE 81 HE2 PHE 81 -2.245 10.792 4.181 637 HZ PHE 81 HZ PHE 81 -1.829 11.720 6.447 638 H GLY 82 HN GLY 82 3.584 10.142 0.619 639 1HA GLY 82 HA2 GLY 82 6.253 10.291 0.122 640 2HA GLY 82 HA1 GLY 82 6.195 8.947 1.261 641 H TYR 83 HN TYR 83 6.543 7.175 -0.026 642 HA TYR 83 HA TYR 83 5.089 6.910 -2.608 643 1HB TYR 83 HB1 TYR 83 7.359 5.533 -1.185 644 2HB TYR 83 HB2 TYR 83 6.556 4.733 -2.537 645 HD1 TYR 83 HD1 TYR 83 6.720 5.606 -4.803 646 HD2 TYR 83 HD2 TYR 83 8.613 7.629 -1.516 647 HE1 TYR 83 HE1 TYR 83 8.027 6.980 -6.402 648 HE2 TYR 83 HE2 TYR 83 9.922 9.005 -3.117 649 HH TYR 83 HH TYR 83 10.360 9.426 -5.249 650 H HIS 84 HN HIS 84 3.274 5.655 -2.756 651 HA HIS 84 HA HIS 84 2.501 4.010 -0.373 652 1HB HIS 84 HB2 HIS 84 1.110 5.912 -2.131 653 2HB HIS 84 HB1 HIS 84 0.237 4.395 -1.945 654 HD1 HIS 84 HD1 HIS 84 -1.423 6.121 -0.566 655 HD2 HIS 84 HD2 HIS 84 2.194 5.104 1.235 656 HE1 HIS 84 HE1 HIS 84 -1.674 6.669 1.892 657 H ILE 85 HN ILE 85 2.884 1.874 -0.753 658 HA ILE 85 HA ILE 85 2.044 0.776 -3.423 659 HB ILE 85 HB ILE 85 4.475 0.517 -2.533 660 1HG1 ILE 85 HG12 ILE 85 3.290 -2.174 -3.037 661 2HG1 ILE 85 HG11 ILE 85 3.039 -0.933 -4.265 662 1HG2 ILE 85 HG21 ILE 85 3.266 -0.299 -0.250 663 2HG2 ILE 85 HG22 ILE 85 4.889 -0.809 -0.714 664 3HG2 ILE 85 HG23 ILE 85 3.510 -1.859 -1.037 665 1HD1 ILE 85 HD11 ILE 85 5.132 -2.312 -4.597 666 2HD1 ILE 85 HD12 ILE 85 5.754 -1.611 -3.103 667 3HD1 ILE 85 HD13 ILE 85 5.417 -0.575 -4.490 668 H ILE 86 HN ILE 86 0.234 -0.547 -3.346 669 HA ILE 86 HA ILE 86 -0.777 -1.265 -0.615 670 HB ILE 86 HB ILE 86 -2.204 0.008 -2.965 671 1HG1 ILE 86 HG11 ILE 86 -1.545 1.149 -0.236 672 2HG1 ILE 86 HG12 ILE 86 -0.585 1.454 -1.684 673 1HG2 ILE 86 HG21 ILE 86 -4.141 0.126 -1.534 674 2HG2 ILE 86 HG22 ILE 86 -3.228 -0.496 -0.159 675 3HG2 ILE 86 HG23 ILE 86 -3.587 -1.548 -1.528 676 1HD1 ILE 86 HD11 ILE 86 -3.510 2.147 -1.276 677 2HD1 ILE 86 HD12 ILE 86 -2.645 2.338 -2.802 678 3HD1 ILE 86 HD13 ILE 86 -2.166 3.284 -1.392 679 H LYS 87 HN LYS 87 -1.856 -3.197 -0.429 680 HA LYS 87 HA LYS 87 -2.168 -4.941 -2.831 681 1HB LYS 87 HB2 LYS 87 -2.344 -5.341 0.165 682 2HB LYS 87 HB1 LYS 87 -2.822 -6.592 -0.980 683 1HG LYS 87 HG2 LYS 87 -0.528 -6.373 -2.020 684 2HG LYS 87 HG1 LYS 87 -0.085 -5.341 -0.662 685 1HD LYS 87 HD2 LYS 87 -0.208 -7.084 0.877 686 2HD LYS 87 HD1 LYS 87 -1.350 -8.003 -0.103 687 1HE LYS 87 HE1 LYS 87 1.155 -7.638 -1.534 688 2HE LYS 87 HE2 LYS 87 1.426 -8.420 0.034 689 1HZ LYS 87 HZ1 LYS 87 -0.743 -9.692 -0.643 690 2HZ LYS 87 HZ2 LYS 87 0.766 -10.209 -1.226 691 3HZ LYS 87 HZ3 LYS 87 -0.259 -9.287 -2.217 692 H VAL 88 HN VAL 88 -4.231 -5.513 -3.557 693 HA VAL 88 HA VAL 88 -6.563 -4.128 -2.264 694 HB VAL 88 HB VAL 88 -6.104 -5.184 -5.078 695 1HG1 VAL 88 HG11 VAL 88 -8.485 -5.190 -4.354 696 2HG1 VAL 88 HG12 VAL 88 -8.179 -4.017 -5.635 697 3HG1 VAL 88 HG13 VAL 88 -8.348 -3.475 -3.965 698 1HG2 VAL 88 HG21 VAL 88 -5.269 -2.769 -3.780 699 2HG2 VAL 88 HG22 VAL 88 -6.502 -2.365 -4.972 700 3HG2 VAL 88 HG23 VAL 88 -5.051 -3.237 -5.466 701 H LEU 89 HN LEU 89 -8.185 -5.444 -1.432 702 HA LEU 89 HA LEU 89 -8.223 -8.312 -2.194 703 1HB LEU 89 HB2 LEU 89 -8.144 -7.123 0.597 704 2HB LEU 89 HB1 LEU 89 -8.302 -8.841 0.232 705 HG LEU 89 HG LEU 89 -5.977 -7.126 -0.684 706 1HD1 LEU 89 HD11 LEU 89 -6.519 -7.947 1.919 707 2HD1 LEU 89 HD12 LEU 89 -4.934 -7.500 1.287 708 3HD1 LEU 89 HD13 LEU 89 -5.430 -9.193 1.310 709 1HD2 LEU 89 HD21 LEU 89 -5.064 -9.059 -1.570 710 2HD2 LEU 89 HD22 LEU 89 -6.774 -9.410 -1.809 711 3HD2 LEU 89 HD23 LEU 89 -5.916 -10.105 -0.435 712 H TYR 90 HN TYR 90 -10.358 -8.931 -2.544 713 HA TYR 90 HA TYR 90 -12.687 -9.085 -2.356 714 1HB TYR 90 HB2 TYR 90 -12.166 -7.520 0.191 715 2HB TYR 90 HB1 TYR 90 -13.552 -8.555 -0.148 716 HD1 TYR 90 HD1 TYR 90 -12.821 -11.012 -1.046 717 HD2 TYR 90 HD2 TYR 90 -10.469 -8.455 1.488 718 HE1 TYR 90 HE1 TYR 90 -11.555 -12.985 -0.228 719 HE2 TYR 90 HE2 TYR 90 -9.205 -10.429 2.305 720 HH TYR 90 HH TYR 90 -8.846 -12.613 2.056 721 H ARG 91 HN ARG 91 -11.738 -5.816 -1.197 722 HA ARG 91 HA ARG 91 -12.610 -3.701 -1.784 723 1HB ARG 91 HB1 ARG 91 -13.124 -5.337 -4.279 724 2HB ARG 91 HB2 ARG 91 -13.378 -3.595 -4.202 725 1HG ARG 91 HG1 ARG 91 -11.001 -3.309 -3.519 726 2HG ARG 91 HG2 ARG 91 -10.765 -5.048 -3.697 727 1HD ARG 91 HD1 ARG 91 -11.657 -3.166 -5.915 728 2HD ARG 91 HD2 ARG 91 -10.037 -3.869 -5.747 729 HE ARG 91 HE ARG 91 -11.815 -6.034 -5.604 730 1HH1 ARG 91 HH11 ARG 91 -11.020 -3.505 -7.822 731 2HH1 ARG 91 HH12 ARG 91 -11.448 -4.427 -9.224 732 1HH2 ARG 91 HH21 ARG 91 -12.372 -7.244 -7.429 733 2HH2 ARG 91 HH22 ARG 91 -12.212 -6.538 -9.003 734 H ASN 92 HN ASN 92 -14.372 -5.448 -0.274 735 HA ASN 92 HA ASN 92 -16.841 -4.035 -0.616 736 1HB ASN 92 HB1 ASN 92 -16.879 -5.475 -2.647 737 2HB ASN 92 HB2 ASN 92 -16.778 -6.902 -1.616 738 1HD2 ASN 92 HD21 ASN 92 -18.691 -3.992 -0.818 739 2HD2 ASN 92 HD22 ASN 92 -20.200 -4.759 -0.918 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -16.348 -1.116 -4.810 2 2H ALA 1 HT2 ALA 1 -17.948 -0.733 -4.386 3 3H ALA 1 HT3 ALA 1 -17.633 -2.024 -5.444 4 HA ALA 1 HA ALA 1 -17.894 -3.259 -3.571 5 1HB ALA 1 HB1 ALA 1 -15.256 -2.625 -2.569 6 2HB ALA 1 HB2 ALA 1 -15.256 -2.578 -4.332 7 3HB ALA 1 HB3 ALA 1 -15.775 -4.037 -3.489 8 H LYS 2 HN LYS 2 -18.835 -3.039 -1.574 9 HA LYS 2 HA LYS 2 -19.123 -0.527 -0.257 10 1HB LYS 2 HB2 LYS 2 -19.404 -3.395 0.695 11 2HB LYS 2 HB1 LYS 2 -20.016 -1.997 1.578 12 1HG LYS 2 HG1 LYS 2 -20.817 -2.777 -1.242 13 2HG LYS 2 HG2 LYS 2 -21.789 -3.043 0.205 14 1HD LYS 2 HD2 LYS 2 -21.413 -0.442 0.541 15 2HD LYS 2 HD1 LYS 2 -21.137 -0.476 -1.201 16 1HE LYS 2 HE1 LYS 2 -23.328 -1.511 -1.568 17 2HE LYS 2 HE2 LYS 2 -23.600 -1.610 0.180 18 1HZ LYS 2 HZ1 LYS 2 -24.232 0.512 0.204 19 2HZ LYS 2 HZ2 LYS 2 -24.104 0.564 -1.489 20 3HZ LYS 2 HZ3 LYS 2 -22.781 1.010 -0.520 21 H THR 3 HN THR 3 -16.919 -3.247 0.350 22 HA THR 3 HA THR 3 -15.204 -1.445 2.007 23 HB THR 3 HB THR 3 -15.218 -3.011 3.817 24 HG1 THR 3 HG1 THR 3 -15.992 -5.061 3.595 25 1HG2 THR 3 HG21 THR 3 -17.361 -1.647 3.391 26 2HG2 THR 3 HG22 THR 3 -17.493 -3.026 4.483 27 3HG2 THR 3 HG23 THR 3 -18.063 -3.160 2.819 28 H ALA 4 HN ALA 4 -12.967 -2.410 2.269 29 HA ALA 4 HA ALA 4 -12.340 -4.607 0.355 30 1HB ALA 4 HB1 ALA 4 -10.828 -3.202 -0.909 31 2HB ALA 4 HB2 ALA 4 -11.055 -1.865 0.219 32 3HB ALA 4 HB3 ALA 4 -12.382 -2.374 -0.826 33 H ALA 5 HN ALA 5 -10.235 -5.536 0.710 34 HA ALA 5 HA ALA 5 -9.025 -4.896 3.365 35 1HB ALA 5 HB1 ALA 5 -9.456 -7.238 1.688 36 2HB ALA 5 HB2 ALA 5 -9.008 -7.165 3.393 37 3HB ALA 5 HB3 ALA 5 -7.759 -7.096 2.149 38 H ALA 6 HN ALA 6 -7.072 -3.810 3.410 39 HA ALA 6 HA ALA 6 -5.471 -3.658 0.884 40 1HB ALA 6 HB1 ALA 6 -6.438 -1.269 2.470 41 2HB ALA 6 HB2 ALA 6 -7.292 -1.902 1.064 42 3HB ALA 6 HB3 ALA 6 -5.659 -1.257 0.888 43 H LEU 7 HN LEU 7 -3.369 -3.959 1.391 44 HA LEU 7 HA LEU 7 -2.329 -3.143 4.076 45 1HB LEU 7 HB1 LEU 7 -1.358 -4.920 1.823 46 2HB LEU 7 HB2 LEU 7 -0.267 -4.376 3.094 47 HG LEU 7 HG LEU 7 -1.446 -5.531 4.771 48 1HD1 LEU 7 HD11 LEU 7 -3.685 -6.560 4.382 49 2HD1 LEU 7 HD12 LEU 7 -3.718 -5.814 2.785 50 3HD1 LEU 7 HD13 LEU 7 -3.712 -4.804 4.229 51 1HD2 LEU 7 HD21 LEU 7 -2.106 -7.558 2.750 52 2HD2 LEU 7 HD22 LEU 7 -0.963 -7.642 4.092 53 3HD2 LEU 7 HD23 LEU 7 -0.490 -6.879 2.572 54 H HIS 8 HN HIS 8 -0.813 -1.429 4.187 55 HA HIS 8 HA HIS 8 -0.113 -0.114 1.578 56 1HB HIS 8 HB1 HIS 8 -1.037 1.226 4.139 57 2HB HIS 8 HB2 HIS 8 -0.750 2.008 2.584 58 HD1 HIS 8 HD1 HIS 8 -2.708 2.151 1.039 59 HD2 HIS 8 HD2 HIS 8 -3.260 -0.760 3.970 60 HE1 HIS 8 HE1 HIS 8 -5.075 1.297 0.764 61 H ILE 9 HN ILE 9 2.043 0.329 1.434 62 HA ILE 9 HA ILE 9 3.561 0.722 3.992 63 HB ILE 9 HB ILE 9 4.522 -0.107 1.243 64 1HG1 ILE 9 HG11 ILE 9 4.368 -1.663 3.836 65 2HG1 ILE 9 HG12 ILE 9 3.258 -1.853 2.481 66 1HG2 ILE 9 HG21 ILE 9 6.689 -0.004 2.020 67 2HG2 ILE 9 HG22 ILE 9 6.209 -0.271 3.695 68 3HG2 ILE 9 HG23 ILE 9 5.988 1.317 2.957 69 1HD1 ILE 9 HD11 ILE 9 6.099 -2.711 2.732 70 2HD1 ILE 9 HD12 ILE 9 5.575 -2.131 1.150 71 3HD1 ILE 9 HD13 ILE 9 4.755 -3.498 1.904 72 H LEU 10 HN LEU 10 4.266 2.771 4.318 73 HA LEU 10 HA LEU 10 4.028 4.753 2.100 74 1HB LEU 10 HB2 LEU 10 2.983 4.842 4.530 75 2HB LEU 10 HB1 LEU 10 4.600 5.379 4.988 76 HG LEU 10 HG LEU 10 2.650 6.705 3.102 77 1HD1 LEU 10 HD11 LEU 10 4.065 8.478 4.824 78 2HD1 LEU 10 HD12 LEU 10 3.536 7.106 5.797 79 3HD1 LEU 10 HD13 LEU 10 2.357 8.045 4.882 80 1HD2 LEU 10 HD21 LEU 10 4.542 8.310 2.607 81 2HD2 LEU 10 HD22 LEU 10 4.725 6.714 1.879 82 3HD2 LEU 10 HD23 LEU 10 5.639 7.133 3.328 83 H VAL 11 HN VAL 11 5.937 5.177 1.065 84 HA VAL 11 HA VAL 11 8.503 4.628 2.472 85 HB VAL 11 HB VAL 11 8.219 5.366 -0.432 86 1HG1 VAL 11 HG21 VAL 11 10.380 4.770 -0.342 87 2HG1 VAL 11 HG22 VAL 11 9.858 3.120 -0.016 88 3HG1 VAL 11 HG23 VAL 11 10.207 4.214 1.321 89 1HG2 VAL 11 HG11 VAL 11 7.817 2.911 -0.891 90 2HG2 VAL 11 HG12 VAL 11 6.441 3.745 -0.168 91 3HG2 VAL 11 HG13 VAL 11 7.467 2.711 0.827 92 H LYS 12 HN LYS 12 9.722 6.314 3.193 93 HA LYS 12 HA LYS 12 8.909 9.070 2.893 94 1HB LYS 12 HB1 LYS 12 11.423 7.684 3.873 95 2HB LYS 12 HB2 LYS 12 11.140 9.416 4.046 96 1HG LYS 12 HG2 LYS 12 9.077 8.951 5.322 97 2HG LYS 12 HG1 LYS 12 9.361 7.219 5.149 98 1HD LYS 12 HD2 LYS 12 11.502 7.450 6.360 99 2HD LYS 12 HD1 LYS 12 11.217 9.182 6.532 100 1HE LYS 12 HE1 LYS 12 10.035 8.760 8.420 101 2HE LYS 12 HE2 LYS 12 8.870 7.831 7.455 102 1HZ LYS 12 HZ1 LYS 12 11.499 6.709 8.233 103 2HZ LYS 12 HZ2 LYS 12 10.110 5.879 7.712 104 3HZ LYS 12 HZ3 LYS 12 10.155 6.580 9.260 105 H GLU 13 HN GLU 13 11.463 7.088 1.394 106 HA GLU 13 HA GLU 13 11.851 9.263 -0.633 107 1HB GLU 13 HB1 GLU 13 14.296 8.546 -0.512 108 2HB GLU 13 HB2 GLU 13 13.680 9.357 0.928 109 1HG GLU 13 HG1 GLU 13 13.273 7.162 1.989 110 2HG GLU 13 HG2 GLU 13 13.890 6.352 0.549 111 H GLU 14 HN GLU 14 12.433 8.494 -2.745 112 HA GLU 14 HA GLU 14 11.207 6.083 -3.607 113 1HB GLU 14 HB2 GLU 14 13.302 7.927 -4.766 114 2HB GLU 14 HB1 GLU 14 12.679 6.551 -5.674 115 1HG GLU 14 HG1 GLU 14 10.382 7.423 -5.420 116 2HG GLU 14 HG2 GLU 14 11.002 8.802 -4.512 117 H LYS 15 HN LYS 15 14.609 6.770 -2.789 118 HA LYS 15 HA LYS 15 15.854 4.471 -3.747 119 1HB LYS 15 HB1 LYS 15 16.953 6.405 -2.668 120 2HB LYS 15 HB2 LYS 15 16.297 5.907 -1.109 121 1HG LYS 15 HG2 LYS 15 17.524 3.772 -1.272 122 2HG LYS 15 HG1 LYS 15 18.179 4.264 -2.833 123 1HD LYS 15 HD2 LYS 15 19.177 6.277 -1.687 124 2HD LYS 15 HD1 LYS 15 18.666 5.585 -0.148 125 1HE LYS 15 HE1 LYS 15 21.036 5.005 -0.670 126 2HE LYS 15 HE2 LYS 15 20.017 3.553 -0.623 127 1HZ LYS 15 HZ1 LYS 15 20.027 3.358 -2.884 128 2HZ LYS 15 HZ2 LYS 15 21.549 4.090 -2.692 129 3HZ LYS 15 HZ3 LYS 15 20.205 5.024 -3.150 130 H LEU 16 HN LEU 16 14.164 4.826 -0.602 131 HA LEU 16 HA LEU 16 14.590 2.073 0.210 132 1HB LEU 16 HB2 LEU 16 14.024 4.067 1.664 133 2HB LEU 16 HB1 LEU 16 12.390 4.010 0.999 134 HG LEU 16 HG LEU 16 13.561 1.493 2.129 135 1HD1 LEU 16 HD11 LEU 16 12.243 2.463 4.289 136 2HD1 LEU 16 HD12 LEU 16 12.915 3.962 3.647 137 3HD1 LEU 16 HD13 LEU 16 13.986 2.626 4.073 138 1HD2 LEU 16 HD21 LEU 16 10.818 2.261 2.789 139 2HD2 LEU 16 HD22 LEU 16 11.414 0.800 2.000 140 3HD2 LEU 16 HD23 LEU 16 11.116 2.254 1.050 141 H ALA 17 HN ALA 17 11.975 3.803 -1.479 142 HA ALA 17 HA ALA 17 10.099 1.658 -1.678 143 1HB ALA 17 HB1 ALA 17 10.292 4.298 -2.416 144 2HB ALA 17 HB2 ALA 17 8.990 3.221 -2.919 145 3HB ALA 17 HB3 ALA 17 10.372 3.488 -3.981 146 H LEU 18 HN LEU 18 12.776 2.641 -3.838 147 HA LEU 18 HA LEU 18 12.409 0.670 -5.870 148 1HB LEU 18 HB2 LEU 18 14.250 2.691 -5.083 149 2HB LEU 18 HB1 LEU 18 15.189 1.217 -5.306 150 HG LEU 18 HG LEU 18 13.260 1.480 -7.442 151 1HD1 LEU 18 HD21 LEU 18 14.881 3.534 -8.279 152 2HD1 LEU 18 HD22 LEU 18 14.643 3.935 -6.578 153 3HD1 LEU 18 HD23 LEU 18 13.250 3.745 -7.641 154 1HD2 LEU 18 HD11 LEU 18 15.162 0.118 -7.776 155 2HD2 LEU 18 HD12 LEU 18 16.260 1.348 -7.150 156 3HD2 LEU 18 HD13 LEU 18 15.509 1.559 -8.733 157 H ASP 19 HN ASP 19 14.353 0.590 -2.876 158 HA ASP 19 HA ASP 19 15.381 -2.055 -3.174 159 1HB ASP 19 HB2 ASP 19 16.165 -0.369 -1.554 160 2HB ASP 19 HB1 ASP 19 14.621 -0.455 -0.708 161 H LEU 20 HN LEU 20 12.351 -0.861 -1.674 162 HA LEU 20 HA LEU 20 11.490 -3.443 -0.737 163 1HB LEU 20 HB1 LEU 20 9.806 -2.176 0.133 164 2HB LEU 20 HB2 LEU 20 10.750 -0.808 -0.447 165 HG LEU 20 HG LEU 20 9.444 -1.006 -2.637 166 1HD1 LEU 20 HD11 LEU 20 8.534 -3.361 -1.426 167 2HD1 LEU 20 HD12 LEU 20 7.885 -2.622 -2.889 168 3HD1 LEU 20 HD13 LEU 20 7.167 -2.252 -1.323 169 1HD2 LEU 20 HD21 LEU 20 7.617 -0.469 -0.313 170 2HD2 LEU 20 HD22 LEU 20 7.755 0.405 -1.839 171 3HD2 LEU 20 HD23 LEU 20 9.011 0.570 -0.612 172 H LEU 21 HN LEU 21 10.801 -1.623 -3.727 173 HA LEU 21 HA LEU 21 8.867 -3.317 -4.858 174 1HB LEU 21 HB2 LEU 21 11.004 -1.462 -5.838 175 2HB LEU 21 HB1 LEU 21 10.153 -2.447 -7.029 176 HG LEU 21 HG LEU 21 8.248 -1.347 -5.173 177 1HD1 LEU 21 HD11 LEU 21 8.856 1.058 -6.372 178 2HD1 LEU 21 HD12 LEU 21 10.456 0.430 -5.971 179 3HD1 LEU 21 HD13 LEU 21 9.247 0.639 -4.704 180 1HD2 LEU 21 HD21 LEU 21 7.275 -0.464 -7.253 181 2HD2 LEU 21 HD22 LEU 21 7.812 -2.127 -7.487 182 3HD2 LEU 21 HD23 LEU 21 8.782 -0.791 -8.109 183 H GLU 22 HN GLU 22 12.376 -3.390 -5.602 184 HA GLU 22 HA GLU 22 12.316 -5.936 -6.934 185 1HB GLU 22 HB1 GLU 22 14.470 -4.314 -5.557 186 2HB GLU 22 HB2 GLU 22 14.814 -5.783 -6.471 187 1HG GLU 22 HG2 GLU 22 13.755 -4.776 -8.470 188 2HG GLU 22 HG1 GLU 22 13.439 -3.304 -7.553 189 H GLN 23 HN GLN 23 12.978 -5.025 -3.550 190 HA GLN 23 HA GLN 23 13.927 -7.528 -2.630 191 1HB GLN 23 HB2 GLN 23 14.041 -5.393 -1.407 192 2HB GLN 23 HB1 GLN 23 12.288 -5.389 -1.220 193 1HG GLN 23 HG1 GLN 23 12.382 -7.409 0.126 194 2HG GLN 23 HG2 GLN 23 14.114 -7.569 -0.166 195 1HE2 GLN 23 HE21 GLN 23 13.331 -7.419 2.492 196 2HE2 GLN 23 HE22 GLN 23 13.724 -5.901 3.142 197 H ILE 24 HN ILE 24 10.634 -6.421 -3.224 198 HA ILE 24 HA ILE 24 9.284 -8.659 -1.942 199 HB ILE 24 HB ILE 24 8.579 -6.694 -4.140 200 1HG1 ILE 24 HG11 ILE 24 7.600 -6.876 -1.280 201 2HG1 ILE 24 HG12 ILE 24 8.973 -5.880 -1.767 202 1HG2 ILE 24 HG21 ILE 24 6.288 -7.840 -2.846 203 2HG2 ILE 24 HG22 ILE 24 7.296 -9.146 -3.472 204 3HG2 ILE 24 HG23 ILE 24 6.713 -7.883 -4.557 205 1HD1 ILE 24 HD11 ILE 24 6.132 -5.653 -2.803 206 2HD1 ILE 24 HD12 ILE 24 7.498 -4.713 -3.404 207 3HD1 ILE 24 HD13 ILE 24 6.952 -4.511 -1.739 208 H LYS 25 HN LYS 25 10.521 -7.985 -5.222 209 HA LYS 25 HA LYS 25 9.539 -10.390 -6.439 210 1HB LYS 25 HB2 LYS 25 10.204 -8.466 -7.727 211 2HB LYS 25 HB1 LYS 25 11.813 -8.472 -7.004 212 1HG LYS 25 HG1 LYS 25 12.270 -10.652 -8.029 213 2HG LYS 25 HG2 LYS 25 10.665 -10.660 -8.759 214 1HD LYS 25 HD2 LYS 25 11.249 -8.541 -9.953 215 2HD LYS 25 HD1 LYS 25 12.881 -8.657 -9.295 216 1HE LYS 25 HE1 LYS 25 12.924 -9.626 -11.524 217 2HE LYS 25 HE2 LYS 25 13.023 -10.970 -10.371 218 1HZ LYS 25 HZ1 LYS 25 10.753 -11.426 -10.604 219 2HZ LYS 25 HZ2 LYS 25 11.260 -11.124 -12.198 220 3HZ LYS 25 HZ3 LYS 25 10.422 -9.929 -11.328 221 H ASN 26 HN ASN 26 12.911 -9.578 -5.452 222 HA ASN 26 HA ASN 26 13.886 -12.243 -5.751 223 1HB ASN 26 HB2 ASN 26 15.818 -11.362 -4.461 224 2HB ASN 26 HB1 ASN 26 15.299 -10.232 -5.703 225 1HD2 ASN 26 HD21 ASN 26 16.678 -8.894 -3.926 226 2HD2 ASN 26 HD22 ASN 26 15.718 -8.113 -2.764 227 H GLY 27 HN GLY 27 12.360 -10.618 -3.000 228 1HA GLY 27 HA2 GLY 27 12.702 -13.104 -1.384 229 2HA GLY 27 HA1 GLY 27 12.349 -11.510 -0.716 230 H ALA 28 HN ALA 28 10.224 -10.552 -1.684 231 HA ALA 28 HA ALA 28 7.921 -10.756 -2.229 232 1HB ALA 28 HB1 ALA 28 8.925 -13.096 -3.183 233 2HB ALA 28 HB2 ALA 28 7.210 -12.689 -3.209 234 3HB ALA 28 HB3 ALA 28 7.855 -13.698 -1.915 235 H ASP 29 HN ASP 29 7.352 -9.796 -0.291 236 HA ASP 29 HA ASP 29 5.930 -11.400 1.632 237 1HB ASP 29 HB2 ASP 29 8.666 -11.501 1.861 238 2HB ASP 29 HB1 ASP 29 8.263 -10.195 2.980 239 H PHE 30 HN PHE 30 4.539 -9.559 0.890 240 HA PHE 30 HA PHE 30 5.166 -6.831 1.199 241 1HB PHE 30 HB1 PHE 30 2.748 -8.543 0.964 242 2HB PHE 30 HB2 PHE 30 2.477 -6.897 1.540 243 HD1 PHE 30 HD1 PHE 30 3.173 -8.973 -1.336 244 HD2 PHE 30 HD2 PHE 30 3.442 -4.959 0.183 245 HE1 PHE 30 HE1 PHE 30 3.414 -8.113 -3.651 246 HE2 PHE 30 HE2 PHE 30 3.682 -4.100 -2.132 247 HZ PHE 30 HZ PHE 30 3.668 -5.676 -4.049 248 H GLY 31 HN GLY 31 3.444 -8.965 3.516 249 1HA GLY 31 HA1 GLY 31 2.948 -6.972 5.463 250 2HA GLY 31 HA2 GLY 31 3.058 -8.695 5.814 251 H LYS 32 HN LYS 32 5.669 -9.294 5.310 252 HA LYS 32 HA LYS 32 6.948 -8.363 7.683 253 1HB LYS 32 HB2 LYS 32 7.271 -10.535 6.457 254 2HB LYS 32 HB1 LYS 32 8.176 -9.651 5.228 255 1HG LYS 32 HG1 LYS 32 9.780 -8.900 6.947 256 2HG LYS 32 HG2 LYS 32 8.876 -9.784 8.177 257 1HD LYS 32 HD2 LYS 32 9.262 -11.884 6.837 258 2HD LYS 32 HD1 LYS 32 10.327 -10.951 5.786 259 1HE LYS 32 HE1 LYS 32 11.639 -12.112 7.538 260 2HE LYS 32 HE2 LYS 32 11.716 -10.356 7.783 261 1HZ LYS 32 HZ1 LYS 32 9.469 -11.808 8.973 262 2HZ LYS 32 HZ2 LYS 32 10.303 -10.446 9.553 263 3HZ LYS 32 HZ3 LYS 32 10.984 -11.994 9.713 264 H LEU 33 HN LEU 33 7.419 -7.441 4.265 265 HA LEU 33 HA LEU 33 9.703 -5.763 4.700 266 1HB LEU 33 HB2 LEU 33 7.526 -5.888 2.598 267 2HB LEU 33 HB1 LEU 33 8.939 -4.839 2.452 268 HG LEU 33 HG LEU 33 9.137 -7.827 2.924 269 1HD1 LEU 33 HD11 LEU 33 8.010 -7.120 0.724 270 2HD1 LEU 33 HD12 LEU 33 9.442 -8.137 0.583 271 3HD1 LEU 33 HD13 LEU 33 9.560 -6.403 0.291 272 1HD2 LEU 33 HD21 LEU 33 11.290 -7.257 3.302 273 2HD2 LEU 33 HD22 LEU 33 10.996 -5.590 2.803 274 3HD2 LEU 33 HD23 LEU 33 11.387 -6.817 1.597 275 H ALA 34 HN ALA 34 6.199 -5.058 4.667 276 HA ALA 34 HA ALA 34 6.366 -2.222 4.939 277 1HB ALA 34 HB1 ALA 34 4.345 -3.590 4.417 278 2HB ALA 34 HB2 ALA 34 4.066 -2.475 5.755 279 3HB ALA 34 HB3 ALA 34 4.350 -4.187 6.077 280 H LYS 35 HN LYS 35 6.074 -4.762 7.461 281 HA LYS 35 HA LYS 35 6.099 -3.036 9.708 282 1HB LYS 35 HB1 LYS 35 5.502 -5.419 9.724 283 2HB LYS 35 HB2 LYS 35 7.168 -5.853 9.341 284 1HG LYS 35 HG1 LYS 35 7.920 -4.815 11.452 285 2HG LYS 35 HG2 LYS 35 6.254 -4.385 11.834 286 1HD LYS 35 HD1 LYS 35 5.623 -6.754 11.862 287 2HD LYS 35 HD2 LYS 35 7.265 -7.213 11.407 288 1HE LYS 35 HE1 LYS 35 8.044 -5.991 13.525 289 2HE LYS 35 HE2 LYS 35 6.337 -5.957 14.006 290 1HZ LYS 35 HZ1 LYS 35 7.098 -7.984 14.840 291 2HZ LYS 35 HZ2 LYS 35 8.072 -8.298 13.483 292 3HZ LYS 35 HZ3 LYS 35 6.382 -8.428 13.368 293 H LYS 36 HN LYS 36 8.871 -4.769 8.221 294 HA LYS 36 HA LYS 36 10.774 -3.798 10.115 295 1HB LYS 36 HB2 LYS 36 10.920 -5.825 8.646 296 2HB LYS 36 HB1 LYS 36 11.209 -4.758 7.271 297 1HG LYS 36 HG1 LYS 36 13.211 -3.850 8.398 298 2HG LYS 36 HG2 LYS 36 12.921 -4.919 9.773 299 1HD LYS 36 HD1 LYS 36 13.156 -6.883 8.295 300 2HD LYS 36 HD2 LYS 36 13.447 -5.815 6.921 301 1HE LYS 36 HE2 LYS 36 15.653 -5.922 7.466 302 2HE LYS 36 HE1 LYS 36 15.255 -4.951 8.898 303 1HZ LYS 36 HZ1 LYS 36 14.629 -7.012 10.041 304 2HZ LYS 36 HZ2 LYS 36 16.259 -7.046 9.561 305 3HZ LYS 36 HZ3 LYS 36 15.093 -7.916 8.684 306 H HIS 37 HN HIS 37 10.066 -2.697 6.780 307 HA HIS 37 HA HIS 37 12.150 -0.666 6.871 308 1HB HIS 37 HB1 HIS 37 9.875 -1.295 4.966 309 2HB HIS 37 HB2 HIS 37 11.150 -0.124 4.626 310 HD1 HIS 37 HD1 HIS 37 13.696 -1.347 5.206 311 HD2 HIS 37 HD2 HIS 37 10.547 -3.718 3.850 312 HE1 HIS 37 HE1 HIS 37 14.740 -3.458 4.275 313 H SER 38 HN SER 38 8.650 -0.702 7.335 314 HA SER 38 HA SER 38 8.063 2.009 6.905 315 1HB SER 38 HB1 SER 38 6.375 0.307 7.132 316 2HB SER 38 HB2 SER 38 6.908 -0.077 8.769 317 HG SER 38 HG SER 38 5.083 1.651 8.067 318 H ILE 39 HN ILE 39 8.993 0.440 9.991 319 HA ILE 39 HA ILE 39 9.468 1.407 12.093 320 HB ILE 39 HB ILE 39 10.675 3.476 10.224 321 1HG1 ILE 39 HG12 ILE 39 11.969 1.017 11.435 322 2HG1 ILE 39 HG11 ILE 39 11.327 1.067 9.794 323 1HG2 ILE 39 HG21 ILE 39 12.336 3.298 12.358 324 2HG2 ILE 39 HG22 ILE 39 10.794 2.954 13.142 325 3HG2 ILE 39 HG23 ILE 39 11.018 4.466 12.261 326 1HD1 ILE 39 HD11 ILE 39 12.814 3.201 9.542 327 2HD1 ILE 39 HD12 ILE 39 13.586 1.618 9.470 328 3HD1 ILE 39 HD13 ILE 39 13.663 2.570 10.952 329 H CYS 40 HN CYS 40 6.951 2.230 10.583 330 HA CYS 40 HA CYS 40 6.512 4.917 11.848 331 1HB CYS 40 HB1 CYS 40 6.432 4.931 9.414 332 2HB CYS 40 HB2 CYS 40 5.337 3.548 9.404 333 HG CYS 40 HG CYS 40 3.750 5.542 9.209 334 HA PRO 41 HA PRO 41 3.649 3.129 14.667 335 1HB PRO 41 HB2 PRO 41 1.896 5.435 13.952 336 2HB PRO 41 HB1 PRO 41 2.451 4.895 15.546 337 1HG PRO 41 HG1 PRO 41 3.487 7.046 14.311 338 2HG PRO 41 HG2 PRO 41 4.443 6.004 15.372 339 1HD PRO 41 HD1 PRO 41 4.514 6.270 12.431 340 2HD PRO 41 HD2 PRO 41 5.786 5.746 13.551 341 H SER 42 HN SER 42 2.807 3.975 11.396 342 HA SER 42 HA SER 42 0.447 2.142 11.495 343 1HB SER 42 HB2 SER 42 0.396 3.414 9.061 344 2HB SER 42 HB1 SER 42 -0.437 3.999 10.503 345 HG SER 42 HG SER 42 1.295 5.315 10.951 346 H GLY 43 HN GLY 43 3.507 1.630 11.189 347 1HA GLY 43 HA1 GLY 43 3.717 0.442 8.521 348 2HA GLY 43 HA2 GLY 43 4.865 0.228 9.847 349 H LYS 44 HN LYS 44 3.641 -0.936 11.826 350 HA LYS 44 HA LYS 44 3.060 -3.621 11.046 351 1HB LYS 44 HB2 LYS 44 3.874 -2.864 13.264 352 2HB LYS 44 HB1 LYS 44 2.320 -2.082 13.556 353 1HG LYS 44 HG1 LYS 44 1.170 -4.232 13.420 354 2HG LYS 44 HG2 LYS 44 2.679 -5.044 13.006 355 1HD LYS 44 HD1 LYS 44 3.615 -4.230 15.210 356 2HD LYS 44 HD2 LYS 44 1.993 -3.673 15.621 357 1HE LYS 44 HE2 LYS 44 1.209 -6.074 15.125 358 2HE LYS 44 HE1 LYS 44 2.926 -6.517 15.151 359 1HZ LYS 44 HZ1 LYS 44 1.592 -4.951 17.297 360 2HZ LYS 44 HZ2 LYS 44 3.153 -5.619 17.330 361 3HZ LYS 44 HZ3 LYS 44 1.791 -6.634 17.365 362 H ARG 45 HN ARG 45 0.897 -0.867 11.809 363 HA ARG 45 HA ARG 45 -1.471 -2.589 11.372 364 1HB ARG 45 HB2 ARG 45 -1.630 -1.171 13.247 365 2HB ARG 45 HB1 ARG 45 -0.898 0.190 12.399 366 1HG ARG 45 HG2 ARG 45 -3.299 0.576 12.630 367 2HG ARG 45 HG1 ARG 45 -2.904 0.306 10.932 368 1HD ARG 45 HD1 ARG 45 -4.117 -1.632 10.848 369 2HD ARG 45 HD2 ARG 45 -3.543 -2.160 12.441 370 HE ARG 45 HE ARG 45 -5.158 -0.008 13.046 371 1HH1 ARG 45 HH11 ARG 45 -5.534 -2.857 11.122 372 2HH1 ARG 45 HH12 ARG 45 -7.235 -2.987 11.420 373 1HH2 ARG 45 HH21 ARG 45 -7.372 -0.173 13.441 374 2HH2 ARG 45 HH22 ARG 45 -8.274 -1.470 12.730 375 H GLY 46 HN GLY 46 0.031 0.317 9.939 376 1HA GLY 46 HA2 GLY 46 -1.890 0.505 7.763 377 2HA GLY 46 HA1 GLY 46 -0.336 1.331 7.839 378 H GLY 47 HN GLY 47 0.975 -1.330 8.442 379 1HA GLY 47 HA2 GLY 47 1.411 -2.232 5.690 380 2HA GLY 47 HA1 GLY 47 2.125 -2.934 7.137 381 H ASP 48 HN ASP 48 -1.072 -2.673 7.831 382 HA ASP 48 HA ASP 48 -2.239 -4.860 6.348 383 1HB ASP 48 HB2 ASP 48 -0.503 -6.061 7.647 384 2HB ASP 48 HB1 ASP 48 -1.159 -5.388 9.141 385 H LEU 49 HN LEU 49 -3.605 -2.761 6.553 386 HA LEU 49 HA LEU 49 -4.824 -2.082 9.079 387 1HB LEU 49 HB1 LEU 49 -5.432 -1.532 6.162 388 2HB LEU 49 HB2 LEU 49 -6.368 -0.814 7.475 389 HG LEU 49 HG LEU 49 -3.385 -0.605 7.599 390 1HD1 LEU 49 HD11 LEU 49 -4.142 1.722 6.322 391 2HD1 LEU 49 HD12 LEU 49 -5.073 0.497 5.461 392 3HD1 LEU 49 HD13 LEU 49 -3.316 0.368 5.551 393 1HD2 LEU 49 HD21 LEU 49 -5.590 1.375 8.224 394 2HD2 LEU 49 HD22 LEU 49 -3.906 1.455 8.746 395 3HD2 LEU 49 HD23 LEU 49 -4.973 0.206 9.391 396 H GLY 50 HN GLY 50 -5.283 -4.731 7.039 397 1HA GLY 50 HA2 GLY 50 -6.901 -6.454 7.160 398 2HA GLY 50 HA1 GLY 50 -7.741 -5.532 8.409 399 H GLU 51 HN GLU 51 -9.731 -4.894 7.735 400 HA GLU 51 HA GLU 51 -10.041 -4.093 4.859 401 1HB GLU 51 HB2 GLU 51 -10.984 -6.349 5.637 402 2HB GLU 51 HB1 GLU 51 -12.133 -5.418 6.598 403 1HG GLU 51 HG2 GLU 51 -12.898 -4.259 4.554 404 2HG GLU 51 HG1 GLU 51 -11.748 -5.194 3.599 405 H PHE 52 HN PHE 52 -11.180 -2.185 4.520 406 HA PHE 52 HA PHE 52 -12.644 -0.965 6.807 407 1HB PHE 52 HB1 PHE 52 -11.421 1.203 6.207 408 2HB PHE 52 HB2 PHE 52 -10.449 -0.033 7.005 409 HD1 PHE 52 HD1 PHE 52 -8.362 -0.475 6.087 410 HD2 PHE 52 HD2 PHE 52 -11.534 0.863 3.511 411 HE1 PHE 52 HE1 PHE 52 -6.809 -0.513 4.158 412 HE2 PHE 52 HE2 PHE 52 -9.982 0.819 1.579 413 HZ PHE 52 HZ PHE 52 -7.617 0.133 1.900 414 H ARG 53 HN ARG 53 -13.903 1.025 6.000 415 HA ARG 53 HA ARG 53 -14.627 0.859 3.116 416 1HB ARG 53 HB2 ARG 53 -16.899 0.172 3.687 417 2HB ARG 53 HB1 ARG 53 -15.755 -0.971 4.393 418 1HG ARG 53 HG1 ARG 53 -15.895 0.233 6.550 419 2HG ARG 53 HG2 ARG 53 -17.055 1.357 5.843 420 1HD ARG 53 HD2 ARG 53 -18.565 -0.598 5.357 421 2HD ARG 53 HD1 ARG 53 -17.429 -1.632 6.246 422 HE ARG 53 HE ARG 53 -17.876 0.495 7.968 423 1HH1 ARG 53 HH11 ARG 53 -19.857 -1.752 6.243 424 2HH1 ARG 53 HH12 ARG 53 -21.123 -1.734 7.422 425 1HH2 ARG 53 HH21 ARG 53 -19.524 0.523 9.508 426 2HH2 ARG 53 HH22 ARG 53 -20.937 -0.448 9.266 427 H GLN 54 HN GLN 54 -15.690 2.656 2.372 428 HA GLN 54 HA GLN 54 -16.120 5.052 2.435 429 1HB GLN 54 HB2 GLN 54 -18.463 5.076 3.055 430 2HB GLN 54 HB1 GLN 54 -18.093 3.504 2.345 431 1HG GLN 54 HG2 GLN 54 -17.823 2.546 4.606 432 2HG GLN 54 HG1 GLN 54 -18.198 4.117 5.316 433 1HE2 GLN 54 HE21 GLN 54 -20.293 3.945 6.148 434 2HE2 GLN 54 HE22 GLN 54 -21.618 3.295 5.307 435 H GLY 55 HN GLY 55 -14.173 4.840 4.499 436 1HA GLY 55 HA2 GLY 55 -14.830 7.139 6.003 437 2HA GLY 55 HA1 GLY 55 -15.126 5.753 7.049 438 H GLN 56 HN GLN 56 -12.553 6.342 4.620 439 HA GLN 56 HA GLN 56 -10.461 6.960 6.408 440 1HB GLN 56 HB2 GLN 56 -9.468 4.569 6.446 441 2HB GLN 56 HB1 GLN 56 -10.808 4.903 7.545 442 1HG GLN 56 HG1 GLN 56 -11.709 4.033 4.899 443 2HG GLN 56 HG2 GLN 56 -10.687 2.836 5.690 444 1HE2 GLN 56 HE21 GLN 56 -11.311 2.574 8.180 445 2HE2 GLN 56 HE22 GLN 56 -12.981 2.481 8.501 446 H MET 57 HN MET 57 -9.307 4.322 4.671 447 HA MET 57 HA MET 57 -8.157 4.108 2.652 448 1HB MET 57 HB2 MET 57 -10.519 5.894 2.028 449 2HB MET 57 HB1 MET 57 -9.495 5.198 0.775 450 1HG MET 57 HG2 MET 57 -10.013 2.941 1.557 451 2HG MET 57 HG1 MET 57 -10.956 3.597 2.897 452 1HE MET 57 HE1 MET 57 -11.896 3.646 -1.573 453 2HE MET 57 HE2 MET 57 -10.390 3.237 -0.756 454 3HE MET 57 HE3 MET 57 -10.857 4.927 -0.931 455 H VAL 58 HN VAL 58 -7.453 5.645 0.638 456 HA VAL 58 HA VAL 58 -6.435 8.267 1.596 457 HB VAL 58 HB VAL 58 -4.830 6.630 2.414 458 1HG1 VAL 58 HG21 VAL 58 -5.702 5.018 0.445 459 2HG1 VAL 58 HG22 VAL 58 -4.154 4.773 1.253 460 3HG1 VAL 58 HG23 VAL 58 -4.215 5.598 -0.305 461 1HG2 VAL 58 HG11 VAL 58 -3.232 8.080 1.781 462 2HG2 VAL 58 HG12 VAL 58 -4.176 8.559 0.374 463 3HG2 VAL 58 HG13 VAL 58 -3.077 7.187 0.268 464 HA PRO 59 HA PRO 59 -7.621 9.571 -2.379 465 1HB PRO 59 HB2 PRO 59 -4.916 10.814 -2.548 466 2HB PRO 59 HB1 PRO 59 -6.513 11.549 -2.767 467 1HG PRO 59 HG1 PRO 59 -4.955 11.745 -0.491 468 2HG PRO 59 HG2 PRO 59 -6.691 12.055 -0.578 469 1HD PRO 59 HD2 PRO 59 -5.333 9.932 0.798 470 2HD PRO 59 HD1 PRO 59 -7.074 10.265 0.735 471 H ALA 60 HN ALA 60 -4.171 8.563 -2.202 472 HA ALA 60 HA ALA 60 -3.875 7.829 -4.924 473 1HB ALA 60 HB1 ALA 60 -2.340 6.112 -3.231 474 2HB ALA 60 HB2 ALA 60 -2.469 7.679 -2.431 475 3HB ALA 60 HB3 ALA 60 -1.804 7.572 -4.062 476 H PHE 61 HN PHE 61 -5.018 5.935 -2.135 477 HA PHE 61 HA PHE 61 -5.109 3.378 -3.365 478 1HB PHE 61 HB2 PHE 61 -5.347 3.841 -0.958 479 2HB PHE 61 HB1 PHE 61 -6.893 4.637 -1.256 480 HD1 PHE 61 HD1 PHE 61 -8.885 3.350 -1.865 481 HD2 PHE 61 HD2 PHE 61 -5.113 1.411 -1.165 482 HE1 PHE 61 HE1 PHE 61 -10.034 1.152 -1.757 483 HE2 PHE 61 HE2 PHE 61 -6.262 -0.786 -1.055 484 HZ PHE 61 HZ PHE 61 -8.722 -0.916 -1.351 485 H ASP 62 HN ASP 62 -7.491 6.029 -3.376 486 HA ASP 62 HA ASP 62 -9.666 4.626 -4.559 487 1HB ASP 62 HB1 ASP 62 -9.756 6.879 -3.544 488 2HB ASP 62 HB2 ASP 62 -8.755 7.508 -4.853 489 H LYS 63 HN LYS 63 -7.062 6.528 -6.139 490 HA LYS 63 HA LYS 63 -7.871 6.023 -8.828 491 1HB LYS 63 HB1 LYS 63 -6.222 7.711 -8.126 492 2HB LYS 63 HB2 LYS 63 -5.126 6.434 -7.597 493 1HG LYS 63 HG1 LYS 63 -4.443 7.171 -9.814 494 2HG LYS 63 HG2 LYS 63 -5.120 5.549 -9.947 495 1HD LYS 63 HD2 LYS 63 -7.293 6.519 -10.630 496 2HD LYS 63 HD1 LYS 63 -6.598 8.136 -10.519 497 1HE LYS 63 HE1 LYS 63 -5.546 5.942 -12.344 498 2HE LYS 63 HE2 LYS 63 -6.584 7.282 -12.867 499 1HZ LYS 63 HZ1 LYS 63 -3.893 7.466 -11.613 500 2HZ LYS 63 HZ2 LYS 63 -4.918 8.802 -11.834 501 3HZ LYS 63 HZ3 LYS 63 -4.326 7.952 -13.180 502 H VAL 64 HN VAL 64 -5.443 4.297 -6.816 503 HA VAL 64 HA VAL 64 -4.838 2.373 -8.853 504 HB VAL 64 HB VAL 64 -3.339 2.991 -6.992 505 1HG1 VAL 64 HG21 VAL 64 -5.334 3.133 -5.352 506 2HG1 VAL 64 HG22 VAL 64 -3.817 2.488 -4.728 507 3HG1 VAL 64 HG23 VAL 64 -5.129 1.392 -5.160 508 1HG2 VAL 64 HG11 VAL 64 -2.407 0.965 -7.305 509 2HG2 VAL 64 HG12 VAL 64 -3.961 0.332 -7.851 510 3HG2 VAL 64 HG13 VAL 64 -3.535 0.270 -6.140 511 H VAL 65 HN VAL 65 -6.912 2.058 -5.917 512 HA VAL 65 HA VAL 65 -7.743 -0.627 -6.378 513 HB VAL 65 HB VAL 65 -8.204 0.994 -4.412 514 1HG1 VAL 65 HG21 VAL 65 -9.237 2.810 -5.652 515 2HG1 VAL 65 HG22 VAL 65 -10.444 2.107 -4.578 516 3HG1 VAL 65 HG23 VAL 65 -10.465 1.721 -6.297 517 1HG2 VAL 65 HG11 VAL 65 -9.525 -1.308 -5.378 518 2HG2 VAL 65 HG12 VAL 65 -10.797 -0.215 -4.831 519 3HG2 VAL 65 HG13 VAL 65 -9.516 -0.702 -3.721 520 H PHE 66 HN PHE 66 -8.599 2.391 -7.972 521 HA PHE 66 HA PHE 66 -10.666 1.008 -9.618 522 1HB PHE 66 HB1 PHE 66 -10.932 3.323 -8.554 523 2HB PHE 66 HB2 PHE 66 -9.742 3.889 -9.727 524 HD1 PHE 66 HD1 PHE 66 -13.192 2.857 -9.197 525 HD2 PHE 66 HD2 PHE 66 -10.211 3.666 -12.188 526 HE1 PHE 66 HE1 PHE 66 -14.968 3.014 -10.926 527 HE2 PHE 66 HE2 PHE 66 -11.987 3.824 -13.915 528 HZ PHE 66 HZ PHE 66 -14.365 3.498 -13.284 529 H SER 67 HN SER 67 -7.337 1.720 -9.660 530 HA SER 67 HA SER 67 -7.113 1.788 -12.606 531 1HB SER 67 HB1 SER 67 -5.723 3.166 -10.944 532 2HB SER 67 HB2 SER 67 -4.897 1.658 -10.563 533 HG SER 67 HG SER 67 -4.065 1.579 -12.542 534 H CYS 68 HN CYS 68 -5.372 -0.088 -10.110 535 HA CYS 68 HA CYS 68 -5.311 -2.435 -11.924 536 1HB CYS 68 HB2 CYS 68 -4.113 -1.881 -9.187 537 2HB CYS 68 HB1 CYS 68 -3.751 -3.286 -10.192 538 HG CYS 68 HG CYS 68 -3.195 -0.503 -11.443 539 HA PRO 69 HA PRO 69 -8.944 -4.076 -9.922 540 1HB PRO 69 HB1 PRO 69 -7.939 -6.655 -10.980 541 2HB PRO 69 HB2 PRO 69 -9.491 -5.851 -11.271 542 1HG PRO 69 HG2 PRO 69 -7.546 -5.984 -13.132 543 2HG PRO 69 HG1 PRO 69 -8.675 -4.628 -13.020 544 1HD PRO 69 HD2 PRO 69 -5.814 -4.778 -12.233 545 2HD PRO 69 HD1 PRO 69 -6.755 -3.398 -12.840 546 H VAL 70 HN VAL 70 -9.322 -5.684 -8.166 547 HA VAL 70 HA VAL 70 -7.298 -5.726 -6.177 548 HB VAL 70 HB VAL 70 -9.710 -5.988 -5.781 549 1HG1 VAL 70 HG11 VAL 70 -10.664 -7.232 -7.464 550 2HG1 VAL 70 HG12 VAL 70 -10.455 -8.521 -6.279 551 3HG1 VAL 70 HG13 VAL 70 -9.283 -8.323 -7.583 552 1HG2 VAL 70 HG21 VAL 70 -7.877 -7.080 -4.284 553 2HG2 VAL 70 HG22 VAL 70 -8.468 -8.602 -4.949 554 3HG2 VAL 70 HG23 VAL 70 -9.558 -7.557 -4.038 555 H LEU 71 HN LEU 71 -6.471 -7.916 -5.236 556 HA LEU 71 HA LEU 71 -5.005 -9.743 -5.517 557 1HB LEU 71 HB2 LEU 71 -6.898 -9.995 -7.860 558 2HB LEU 71 HB1 LEU 71 -5.579 -11.139 -7.628 559 HG LEU 71 HG LEU 71 -6.637 -11.063 -5.115 560 1HD1 LEU 71 HD21 LEU 71 -8.877 -10.610 -5.082 561 2HD1 LEU 71 HD22 LEU 71 -9.135 -11.278 -6.694 562 3HD1 LEU 71 HD23 LEU 71 -8.499 -9.643 -6.508 563 1HD2 LEU 71 HD11 LEU 71 -6.285 -12.919 -7.101 564 2HD2 LEU 71 HD12 LEU 71 -8.040 -12.917 -6.937 565 3HD2 LEU 71 HD13 LEU 71 -7.024 -13.268 -5.538 566 H GLU 72 HN GLU 72 -4.652 -6.970 -6.893 567 HA GLU 72 HA GLU 72 -2.263 -7.809 -8.471 568 1HB GLU 72 HB1 GLU 72 -4.189 -7.361 -9.993 569 2HB GLU 72 HB2 GLU 72 -4.320 -5.740 -9.313 570 1HG GLU 72 HG2 GLU 72 -2.549 -4.972 -10.504 571 2HG GLU 72 HG1 GLU 72 -1.602 -6.429 -10.199 572 HA PRO 73 HA PRO 73 -1.375 -4.739 -5.088 573 1HB PRO 73 HB2 PRO 73 1.303 -5.910 -5.693 574 2HB PRO 73 HB1 PRO 73 0.542 -5.594 -4.124 575 1HG PRO 73 HG1 PRO 73 0.732 -8.067 -5.162 576 2HG PRO 73 HG2 PRO 73 -0.626 -7.561 -4.147 577 1HD PRO 73 HD1 PRO 73 -0.536 -8.062 -7.058 578 2HD PRO 73 HD2 PRO 73 -1.907 -8.151 -5.934 579 H THR 74 HN THR 74 -0.859 -2.642 -5.642 580 HA THR 74 HA THR 74 0.789 -2.205 -8.111 581 HB THR 74 HB THR 74 -1.781 -0.838 -7.246 582 HG1 THR 74 HG1 THR 74 -1.136 -2.918 -8.980 583 1HG2 THR 74 HG21 THR 74 -0.054 0.561 -8.493 584 2HG2 THR 74 HG22 THR 74 -1.634 0.430 -9.266 585 3HG2 THR 74 HG23 THR 74 -0.282 -0.538 -9.855 586 H GLY 75 HN GLY 75 2.271 -0.538 -7.942 587 1HA GLY 75 HA1 GLY 75 2.401 1.817 -6.697 588 2HA GLY 75 HA2 GLY 75 2.523 0.759 -5.291 589 HA PRO 76 HA PRO 76 3.775 2.028 -4.338 590 1HB PRO 76 HB1 PRO 76 5.751 3.883 -3.953 591 2HB PRO 76 HB2 PRO 76 5.811 2.247 -3.276 592 1HG PRO 76 HG2 PRO 76 7.215 3.379 -5.635 593 2HG PRO 76 HG1 PRO 76 7.762 2.161 -4.473 594 1HD PRO 76 HD1 PRO 76 6.827 1.618 -7.015 595 2HD PRO 76 HD2 PRO 76 6.871 0.454 -5.676 596 H LEU 77 HN LEU 77 2.395 3.789 -4.526 597 HA LEU 77 HA LEU 77 2.471 5.279 -7.089 598 1HB LEU 77 HB2 LEU 77 0.440 4.093 -6.336 599 2HB LEU 77 HB1 LEU 77 0.415 5.065 -4.865 600 HG LEU 77 HG LEU 77 0.172 7.114 -6.231 601 1HD1 LEU 77 HD11 LEU 77 1.346 6.337 -8.243 602 2HD1 LEU 77 HD12 LEU 77 -0.283 6.872 -8.663 603 3HD1 LEU 77 HD13 LEU 77 0.076 5.150 -8.542 604 1HD2 LEU 77 HD21 LEU 77 -1.881 5.078 -7.119 605 2HD2 LEU 77 HD22 LEU 77 -2.124 6.797 -6.803 606 3HD2 LEU 77 HD23 LEU 77 -1.813 5.690 -5.466 607 H HIS 78 HN HIS 78 2.212 7.622 -7.112 608 HA HIS 78 HA HIS 78 3.830 8.914 -5.041 609 1HB HIS 78 HB1 HIS 78 4.124 9.350 -7.431 610 2HB HIS 78 HB2 HIS 78 2.449 9.891 -7.561 611 HD1 HIS 78 HD1 HIS 78 5.781 11.168 -7.034 612 HD2 HIS 78 HD2 HIS 78 1.977 12.255 -5.721 613 HE1 HIS 78 HE1 HIS 78 5.959 13.561 -6.225 614 H THR 79 HN THR 79 2.970 9.874 -3.256 615 HA THR 79 HA THR 79 0.416 11.373 -3.524 616 HB THR 79 HB THR 79 0.038 9.023 -2.591 617 HG1 THR 79 HG1 THR 79 -1.572 9.980 -1.686 618 1HG2 THR 79 HG21 THR 79 0.824 9.643 0.090 619 2HG2 THR 79 HG22 THR 79 2.226 9.828 -0.958 620 3HG2 THR 79 HG23 THR 79 1.352 8.297 -0.921 621 H GLN 80 HN GLN 80 0.180 12.929 -1.648 622 HA GLN 80 HA GLN 80 2.509 14.493 -1.333 623 1HB GLN 80 HB1 GLN 80 1.121 15.797 0.148 624 2HB GLN 80 HB2 GLN 80 0.062 15.118 -1.088 625 1HG GLN 80 HG2 GLN 80 -0.507 13.257 0.469 626 2HG GLN 80 HG1 GLN 80 0.490 14.019 1.708 627 1HE2 GLN 80 HE21 GLN 80 -0.539 15.568 3.005 628 2HE2 GLN 80 HE22 GLN 80 -2.040 16.277 2.651 629 H PHE 81 HN PHE 81 1.238 11.920 0.744 630 HA PHE 81 HA PHE 81 2.906 12.564 3.026 631 1HB PHE 81 HB2 PHE 81 1.387 10.078 2.174 632 2HB PHE 81 HB1 PHE 81 2.076 10.323 3.781 633 HD1 PHE 81 HD1 PHE 81 -0.561 11.330 1.428 634 HD2 PHE 81 HD2 PHE 81 1.167 12.031 5.301 635 HE1 PHE 81 HE1 PHE 81 -2.575 12.618 2.092 636 HE2 PHE 81 HE2 PHE 81 -0.848 13.318 5.967 637 HZ PHE 81 HZ PHE 81 -2.719 13.612 4.363 638 H GLY 82 HN GLY 82 3.626 11.154 0.029 639 1HA GLY 82 HA2 GLY 82 6.222 10.656 -0.009 640 2HA GLY 82 HA1 GLY 82 5.755 9.411 1.151 641 H TYR 83 HN TYR 83 6.163 7.607 -0.173 642 HA TYR 83 HA TYR 83 4.520 7.426 -2.674 643 1HB TYR 83 HB1 TYR 83 6.920 5.849 -1.687 644 2HB TYR 83 HB2 TYR 83 6.090 5.570 -3.220 645 HD1 TYR 83 HD1 TYR 83 6.205 7.212 -5.040 646 HD2 TYR 83 HD2 TYR 83 8.303 7.825 -1.339 647 HE1 TYR 83 HE1 TYR 83 7.548 9.009 -6.100 648 HE2 TYR 83 HE2 TYR 83 9.647 9.623 -2.398 649 HH TYR 83 HH TYR 83 8.832 11.142 -5.152 650 H HIS 84 HN HIS 84 2.667 6.252 -2.422 651 HA HIS 84 HA HIS 84 2.486 4.292 -0.173 652 1HB HIS 84 HB2 HIS 84 0.447 5.604 -1.995 653 2HB HIS 84 HB1 HIS 84 0.040 4.330 -0.852 654 HD1 HIS 84 HD1 HIS 84 -1.128 7.188 -0.530 655 HD2 HIS 84 HD2 HIS 84 2.324 5.854 1.387 656 HE1 HIS 84 HE1 HIS 84 -0.828 8.660 1.509 657 H ILE 85 HN ILE 85 2.849 2.189 -0.684 658 HA ILE 85 HA ILE 85 2.066 1.295 -3.439 659 HB ILE 85 HB ILE 85 4.460 0.955 -2.757 660 1HG1 ILE 85 HG12 ILE 85 3.270 -1.783 -2.838 661 2HG1 ILE 85 HG11 ILE 85 2.896 -0.696 -4.174 662 1HG2 ILE 85 HG21 ILE 85 3.834 0.606 -0.324 663 2HG2 ILE 85 HG22 ILE 85 5.010 -0.540 -0.970 664 3HG2 ILE 85 HG23 ILE 85 3.323 -1.022 -0.771 665 1HD1 ILE 85 HD11 ILE 85 5.674 -1.427 -3.198 666 2HD1 ILE 85 HD12 ILE 85 5.323 -0.297 -4.505 667 3HD1 ILE 85 HD13 ILE 85 4.914 -2.003 -4.682 668 H ILE 86 HN ILE 86 0.154 0.254 -3.449 669 HA ILE 86 HA ILE 86 -0.918 -0.713 -0.839 670 HB ILE 86 HB ILE 86 -2.236 0.240 -3.401 671 1HG1 ILE 86 HG11 ILE 86 -2.039 1.638 -0.722 672 2HG1 ILE 86 HG12 ILE 86 -0.901 1.927 -2.038 673 1HG2 ILE 86 HG21 ILE 86 -3.579 0.032 -0.722 674 2HG2 ILE 86 HG22 ILE 86 -3.444 -1.404 -1.737 675 3HG2 ILE 86 HG23 ILE 86 -4.300 0.018 -2.332 676 1HD1 ILE 86 HD11 ILE 86 -3.723 2.041 -2.866 677 2HD1 ILE 86 HD12 ILE 86 -2.402 3.155 -3.220 678 3HD1 ILE 86 HD13 ILE 86 -3.277 3.279 -1.692 679 H LYS 87 HN LYS 87 -1.426 -2.833 -0.615 680 HA LYS 87 HA LYS 87 -1.644 -4.575 -3.037 681 1HB LYS 87 HB2 LYS 87 -0.119 -5.306 -1.242 682 2HB LYS 87 HB1 LYS 87 -1.429 -5.183 -0.067 683 1HG LYS 87 HG2 LYS 87 -2.710 -6.876 -1.390 684 2HG LYS 87 HG1 LYS 87 -1.314 -7.055 -2.452 685 1HD LYS 87 HD2 LYS 87 -1.028 -7.385 0.531 686 2HD LYS 87 HD1 LYS 87 -1.577 -8.726 -0.474 687 1HE LYS 87 HE1 LYS 87 0.994 -7.169 -0.944 688 2HE LYS 87 HE2 LYS 87 0.902 -8.756 -0.158 689 1HZ LYS 87 HZ1 LYS 87 -0.646 -8.868 -2.485 690 2HZ LYS 87 HZ2 LYS 87 0.810 -9.683 -2.167 691 3HZ LYS 87 HZ3 LYS 87 0.834 -8.160 -2.917 692 H VAL 88 HN VAL 88 -3.710 -5.042 -3.695 693 HA VAL 88 HA VAL 88 -5.954 -4.291 -1.875 694 HB VAL 88 HB VAL 88 -5.797 -4.746 -4.874 695 1HG1 VAL 88 HG11 VAL 88 -8.061 -5.067 -4.203 696 2HG1 VAL 88 HG12 VAL 88 -7.977 -3.396 -4.759 697 3HG1 VAL 88 HG13 VAL 88 -7.977 -3.751 -3.031 698 1HG2 VAL 88 HG21 VAL 88 -6.064 -2.109 -3.424 699 2HG2 VAL 88 HG22 VAL 88 -5.636 -2.389 -5.111 700 3HG2 VAL 88 HG23 VAL 88 -4.488 -2.786 -3.832 701 H LEU 89 HN LEU 89 -7.403 -5.852 -1.190 702 HA LEU 89 HA LEU 89 -7.365 -8.513 -2.482 703 1HB LEU 89 HB2 LEU 89 -7.102 -7.853 0.474 704 2HB LEU 89 HB1 LEU 89 -7.232 -9.481 -0.189 705 HG LEU 89 HG LEU 89 -5.038 -7.498 -0.873 706 1HD1 LEU 89 HD11 LEU 89 -4.110 -9.881 0.417 707 2HD1 LEU 89 HD12 LEU 89 -5.385 -9.173 1.409 708 3HD1 LEU 89 HD13 LEU 89 -3.972 -8.213 0.974 709 1HD2 LEU 89 HD21 LEU 89 -3.997 -9.409 -1.996 710 2HD2 LEU 89 HD22 LEU 89 -5.606 -9.137 -2.662 711 3HD2 LEU 89 HD23 LEU 89 -5.337 -10.449 -1.516 712 H TYR 90 HN TYR 90 -9.314 -9.729 -1.875 713 HA TYR 90 HA TYR 90 -11.616 -10.003 -1.492 714 1HB TYR 90 HB2 TYR 90 -10.713 -7.891 0.439 715 2HB TYR 90 HB1 TYR 90 -12.435 -8.239 0.305 716 HD1 TYR 90 HD1 TYR 90 -13.340 -10.410 0.956 717 HD2 TYR 90 HD2 TYR 90 -9.128 -9.586 1.226 718 HE1 TYR 90 HE1 TYR 90 -13.031 -12.441 2.350 719 HE2 TYR 90 HE2 TYR 90 -8.820 -11.617 2.619 720 HH TYR 90 HH TYR 90 -11.505 -13.380 3.915 721 H ARG 91 HN ARG 91 -11.085 -6.446 -1.459 722 HA ARG 91 HA ARG 91 -12.176 -4.755 -2.706 723 1HB ARG 91 HB1 ARG 91 -10.983 -6.212 -4.427 724 2HB ARG 91 HB2 ARG 91 -12.536 -6.995 -4.712 725 1HG ARG 91 HG1 ARG 91 -12.307 -5.227 -6.343 726 2HG ARG 91 HG2 ARG 91 -13.507 -4.705 -5.162 727 1HD ARG 91 HD1 ARG 91 -11.774 -3.390 -3.979 728 2HD ARG 91 HD2 ARG 91 -10.571 -3.906 -5.174 729 HE ARG 91 HE ARG 91 -12.740 -1.974 -5.628 730 1HH1 ARG 91 HH11 ARG 91 -10.522 -4.246 -6.998 731 2HH1 ARG 91 HH12 ARG 91 -10.526 -3.499 -8.559 732 1HH2 ARG 91 HH21 ARG 91 -12.753 -1.001 -7.660 733 2HH2 ARG 91 HH22 ARG 91 -11.788 -1.667 -8.935 734 H ASN 92 HN ASN 92 -13.821 -6.234 -0.845 735 HA ASN 92 HA ASN 92 -16.466 -5.640 -1.962 736 1HB ASN 92 HB1 ASN 92 -15.933 -7.872 -2.884 737 2HB ASN 92 HB2 ASN 92 -15.632 -8.473 -1.253 738 1HD2 ASN 92 HD21 ASN 92 -18.251 -6.192 -2.047 739 2HD2 ASN 92 HD22 ASN 92 -19.518 -7.272 -1.719 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -21.521 -1.396 -1.845 2 2H ALA 1 HT2 ALA 1 -22.117 -2.107 -0.421 3 3H ALA 1 HT3 ALA 1 -22.013 -3.019 -1.851 4 HA ALA 1 HA ALA 1 -20.094 -3.767 -0.939 5 1HB ALA 1 HB1 ALA 1 -18.614 -2.829 -2.377 6 2HB ALA 1 HB2 ALA 1 -18.708 -1.268 -1.559 7 3HB ALA 1 HB3 ALA 1 -19.894 -1.691 -2.792 8 H LYS 2 HN LYS 2 -19.198 -3.938 1.088 9 HA LYS 2 HA LYS 2 -19.706 -1.784 3.037 10 1HB LYS 2 HB2 LYS 2 -18.700 -4.635 3.127 11 2HB LYS 2 HB1 LYS 2 -18.755 -3.622 4.570 12 1HG LYS 2 HG1 LYS 2 -21.150 -3.312 4.324 13 2HG LYS 2 HG2 LYS 2 -21.143 -4.156 2.777 14 1HD LYS 2 HD2 LYS 2 -21.754 -5.926 4.115 15 2HD LYS 2 HD1 LYS 2 -20.006 -6.063 4.300 16 1HE LYS 2 HE1 LYS 2 -20.267 -4.470 6.319 17 2HE LYS 2 HE2 LYS 2 -21.999 -4.834 6.217 18 1HZ LYS 2 HZ1 LYS 2 -19.958 -6.978 6.153 19 2HZ LYS 2 HZ2 LYS 2 -21.613 -7.105 6.513 20 3HZ LYS 2 HZ3 LYS 2 -20.551 -6.385 7.627 21 H THR 3 HN THR 3 -16.849 -3.870 2.937 22 HA THR 3 HA THR 3 -15.100 -1.424 2.926 23 HB THR 3 HB THR 3 -13.885 -2.620 4.807 24 HG1 THR 3 HG1 THR 3 -15.293 -4.603 4.104 25 1HG2 THR 3 HG21 THR 3 -16.797 -1.942 5.296 26 2HG2 THR 3 HG22 THR 3 -15.484 -0.768 5.202 27 3HG2 THR 3 HG23 THR 3 -15.517 -1.953 6.509 28 H ALA 4 HN ALA 4 -12.926 -1.830 2.157 29 HA ALA 4 HA ALA 4 -12.567 -4.444 0.742 30 1HB ALA 4 HB1 ALA 4 -11.782 -1.597 0.215 31 2HB ALA 4 HB2 ALA 4 -12.488 -2.776 -0.890 32 3HB ALA 4 HB3 ALA 4 -10.784 -2.890 -0.449 33 H ALA 5 HN ALA 5 -10.511 -5.487 0.975 34 HA ALA 5 HA ALA 5 -9.176 -4.872 3.546 35 1HB ALA 5 HB1 ALA 5 -7.928 -7.058 2.604 36 2HB ALA 5 HB2 ALA 5 -9.375 -7.129 1.598 37 3HB ALA 5 HB3 ALA 5 -9.521 -7.151 3.356 38 H ALA 6 HN ALA 6 -7.367 -3.607 3.573 39 HA ALA 6 HA ALA 6 -5.776 -3.407 1.034 40 1HB ALA 6 HB1 ALA 6 -6.775 -1.318 2.979 41 2HB ALA 6 HB2 ALA 6 -7.222 -1.502 1.284 42 3HB ALA 6 HB3 ALA 6 -5.598 -0.968 1.716 43 H LEU 7 HN LEU 7 -3.725 -4.029 1.369 44 HA LEU 7 HA LEU 7 -2.397 -3.438 3.994 45 1HB LEU 7 HB1 LEU 7 -1.688 -5.338 1.735 46 2HB LEU 7 HB2 LEU 7 -0.791 -5.171 3.238 47 HG LEU 7 HG LEU 7 -3.690 -6.032 2.979 48 1HD1 LEU 7 HD11 LEU 7 -2.761 -8.191 3.914 49 2HD1 LEU 7 HD12 LEU 7 -1.146 -7.544 3.624 50 3HD1 LEU 7 HD13 LEU 7 -2.242 -7.821 2.270 51 1HD2 LEU 7 HD21 LEU 7 -2.610 -6.611 5.532 52 2HD2 LEU 7 HD22 LEU 7 -3.877 -5.449 5.138 53 3HD2 LEU 7 HD23 LEU 7 -2.191 -4.934 5.176 54 H HIS 8 HN HIS 8 -0.332 -2.249 3.821 55 HA HIS 8 HA HIS 8 0.656 -1.470 1.195 56 1HB HIS 8 HB1 HIS 8 -0.159 0.760 1.128 57 2HB HIS 8 HB2 HIS 8 -1.550 -0.234 1.566 58 HD1 HIS 8 HD1 HIS 8 -0.536 2.890 2.404 59 HD2 HIS 8 HD2 HIS 8 -1.082 -0.479 4.783 60 HE1 HIS 8 HE1 HIS 8 -0.880 3.734 4.768 61 H ILE 9 HN ILE 9 2.301 0.324 1.375 62 HA ILE 9 HA ILE 9 3.533 0.556 4.081 63 HB ILE 9 HB ILE 9 4.806 -0.401 1.499 64 1HG1 ILE 9 HG11 ILE 9 4.783 -1.714 4.223 65 2HG1 ILE 9 HG12 ILE 9 3.519 -2.006 3.026 66 1HG2 ILE 9 HG21 ILE 9 6.931 -0.412 2.715 67 2HG2 ILE 9 HG22 ILE 9 6.135 0.227 4.153 68 3HG2 ILE 9 HG23 ILE 9 6.263 1.222 2.701 69 1HD1 ILE 9 HD11 ILE 9 5.455 -2.544 1.398 70 2HD1 ILE 9 HD12 ILE 9 5.087 -3.739 2.641 71 3HD1 ILE 9 HD13 ILE 9 6.462 -2.654 2.840 72 H LEU 10 HN LEU 10 4.403 2.605 4.400 73 HA LEU 10 HA LEU 10 4.091 4.560 2.177 74 1HB LEU 10 HB2 LEU 10 3.121 4.667 4.616 75 2HB LEU 10 HB1 LEU 10 4.751 5.190 5.048 76 HG LEU 10 HG LEU 10 2.824 6.517 3.127 77 1HD1 LEU 10 HD11 LEU 10 4.153 8.261 4.969 78 2HD1 LEU 10 HD12 LEU 10 3.513 6.886 5.870 79 3HD1 LEU 10 HD13 LEU 10 2.435 7.870 4.880 80 1HD2 LEU 10 HD21 LEU 10 4.693 8.126 2.693 81 2HD2 LEU 10 HD22 LEU 10 5.009 6.512 2.055 82 3HD2 LEU 10 HD23 LEU 10 5.782 7.036 3.552 83 H VAL 11 HN VAL 11 5.930 5.086 1.070 84 HA VAL 11 HA VAL 11 8.564 4.895 2.494 85 HB VAL 11 HB VAL 11 8.184 4.989 -0.495 86 1HG1 VAL 11 HG21 VAL 11 10.416 4.756 -0.383 87 2HG1 VAL 11 HG22 VAL 11 10.175 3.167 0.345 88 3HG1 VAL 11 HG23 VAL 11 10.346 4.591 1.371 89 1HG2 VAL 11 HG11 VAL 11 6.707 3.203 0.087 90 2HG2 VAL 11 HG12 VAL 11 7.795 2.620 1.348 91 3HG2 VAL 11 HG13 VAL 11 8.230 2.429 -0.350 92 H LYS 12 HN LYS 12 9.596 6.811 2.828 93 HA LYS 12 HA LYS 12 8.419 9.334 2.086 94 1HB LYS 12 HB1 LYS 12 11.110 8.475 3.194 95 2HB LYS 12 HB2 LYS 12 10.611 10.162 3.069 96 1HG LYS 12 HG2 LYS 12 8.642 9.685 4.480 97 2HG LYS 12 HG1 LYS 12 9.141 7.997 4.606 98 1HD LYS 12 HD2 LYS 12 11.252 8.701 5.679 99 2HD LYS 12 HD1 LYS 12 10.753 10.388 5.553 100 1HE LYS 12 HE1 LYS 12 8.862 9.996 7.038 101 2HE LYS 12 HE2 LYS 12 9.197 8.255 7.061 102 1HZ LYS 12 HZ1 LYS 12 11.352 10.146 7.723 103 2HZ LYS 12 HZ2 LYS 12 11.124 8.548 8.253 104 3HZ LYS 12 HZ3 LYS 12 10.184 9.805 8.905 105 H GLU 13 HN GLU 13 11.213 7.497 0.818 106 HA GLU 13 HA GLU 13 11.291 9.412 -1.490 107 1HB GLU 13 HB1 GLU 13 13.786 9.053 -1.373 108 2HB GLU 13 HB2 GLU 13 13.112 9.869 0.038 109 1HG GLU 13 HG1 GLU 13 13.062 7.734 1.261 110 2HG GLU 13 HG2 GLU 13 13.704 6.898 -0.153 111 H GLU 14 HN GLU 14 12.047 8.487 -3.497 112 HA GLU 14 HA GLU 14 11.003 5.930 -4.135 113 1HB GLU 14 HB2 GLU 14 12.980 7.810 -5.424 114 2HB GLU 14 HB1 GLU 14 12.497 6.308 -6.212 115 1HG GLU 14 HG1 GLU 14 10.132 7.001 -6.087 116 2HG GLU 14 HG2 GLU 14 10.609 8.505 -5.297 117 H LYS 15 HN LYS 15 14.347 6.911 -3.360 118 HA LYS 15 HA LYS 15 15.697 4.569 -4.105 119 1HB LYS 15 HB1 LYS 15 16.103 6.503 -1.804 120 2HB LYS 15 HB2 LYS 15 17.306 5.306 -2.284 121 1HG LYS 15 HG2 LYS 15 17.364 6.272 -4.554 122 2HG LYS 15 HG1 LYS 15 16.161 7.470 -4.075 123 1HD LYS 15 HD2 LYS 15 17.709 8.340 -2.359 124 2HD LYS 15 HD1 LYS 15 18.912 7.142 -2.839 125 1HE LYS 15 HE1 LYS 15 18.920 8.119 -5.143 126 2HE LYS 15 HE2 LYS 15 17.798 9.372 -4.580 127 1HZ LYS 15 HZ1 LYS 15 20.180 8.846 -2.961 128 2HZ LYS 15 HZ2 LYS 15 19.365 10.310 -3.242 129 3HZ LYS 15 HZ3 LYS 15 20.411 9.677 -4.422 130 H LEU 16 HN LEU 16 14.077 5.270 -0.994 131 HA LEU 16 HA LEU 16 14.623 2.650 0.157 132 1HB LEU 16 HB2 LEU 16 13.968 4.914 1.256 133 2HB LEU 16 HB1 LEU 16 12.315 4.488 0.811 134 HG LEU 16 HG LEU 16 14.037 2.499 2.272 135 1HD1 LEU 16 HD11 LEU 16 13.312 5.076 3.274 136 2HD1 LEU 16 HD12 LEU 16 14.084 3.748 4.141 137 3HD1 LEU 16 HD13 LEU 16 12.325 3.872 4.103 138 1HD2 LEU 16 HD21 LEU 16 11.898 1.643 3.005 139 2HD2 LEU 16 HD22 LEU 16 11.800 1.901 1.265 140 3HD2 LEU 16 HD23 LEU 16 11.060 3.058 2.369 141 H ALA 17 HN ALA 17 11.921 4.129 -1.629 142 HA ALA 17 HA ALA 17 10.117 1.904 -1.591 143 1HB ALA 17 HB1 ALA 17 9.132 3.816 -2.405 144 2HB ALA 17 HB2 ALA 17 9.631 3.137 -3.954 145 3HB ALA 17 HB3 ALA 17 10.618 4.372 -3.174 146 H LEU 18 HN LEU 18 12.777 2.778 -3.801 147 HA LEU 18 HA LEU 18 12.439 0.668 -5.695 148 1HB LEU 18 HB2 LEU 18 14.505 2.588 -4.806 149 2HB LEU 18 HB1 LEU 18 15.143 1.136 -5.575 150 HG LEU 18 HG LEU 18 13.039 1.789 -7.231 151 1HD1 LEU 18 HD21 LEU 18 12.469 3.918 -6.590 152 2HD1 LEU 18 HD22 LEU 18 13.844 4.335 -7.612 153 3HD1 LEU 18 HD23 LEU 18 14.045 4.234 -5.864 154 1HD2 LEU 18 HD11 LEU 18 14.879 1.349 -8.482 155 2HD2 LEU 18 HD12 LEU 18 15.971 1.977 -7.247 156 3HD2 LEU 18 HD13 LEU 18 15.193 3.082 -8.380 157 H ASP 19 HN ASP 19 14.266 0.839 -2.641 158 HA ASP 19 HA ASP 19 15.337 -1.826 -2.672 159 1HB ASP 19 HB2 ASP 19 16.028 -0.011 -1.146 160 2HB ASP 19 HB1 ASP 19 14.432 -0.027 -0.398 161 H LEU 20 HN LEU 20 12.248 -0.496 -1.434 162 HA LEU 20 HA LEU 20 11.266 -2.952 -0.342 163 1HB LEU 20 HB1 LEU 20 9.642 -1.513 0.309 164 2HB LEU 20 HB2 LEU 20 10.520 -0.257 -0.554 165 HG LEU 20 HG LEU 20 9.210 -0.893 -2.627 166 1HD1 LEU 20 HD11 LEU 20 8.550 -3.145 -1.233 167 2HD1 LEU 20 HD12 LEU 20 7.614 -2.530 -2.593 168 3HD1 LEU 20 HD13 LEU 20 7.125 -2.150 -0.942 169 1HD2 LEU 20 HD21 LEU 20 8.061 0.915 -1.971 170 2HD2 LEU 20 HD22 LEU 20 8.361 0.540 -0.274 171 3HD2 LEU 20 HD23 LEU 20 6.966 -0.157 -1.097 172 H LEU 21 HN LEU 21 10.760 -1.439 -3.534 173 HA LEU 21 HA LEU 21 9.013 -3.387 -4.614 174 1HB LEU 21 HB2 LEU 21 11.060 -1.474 -5.743 175 2HB LEU 21 HB1 LEU 21 10.080 -2.488 -6.802 176 HG LEU 21 HG LEU 21 8.416 -1.242 -4.787 177 1HD1 LEU 21 HD11 LEU 21 9.346 0.813 -4.656 178 2HD1 LEU 21 HD12 LEU 21 8.963 1.012 -6.367 179 3HD1 LEU 21 HD13 LEU 21 10.548 0.409 -5.883 180 1HD2 LEU 21 HD21 LEU 21 6.999 -1.183 -6.559 181 2HD2 LEU 21 HD22 LEU 21 8.237 -2.115 -7.402 182 3HD2 LEU 21 HD23 LEU 21 8.179 -0.361 -7.581 183 H GLU 22 HN GLU 22 12.576 -3.156 -4.893 184 HA GLU 22 HA GLU 22 12.978 -5.499 -6.442 185 1HB GLU 22 HB1 GLU 22 14.605 -3.669 -6.000 186 2HB GLU 22 HB2 GLU 22 14.750 -4.223 -4.333 187 1HG GLU 22 HG2 GLU 22 15.558 -6.417 -5.132 188 2HG GLU 22 HG1 GLU 22 15.412 -5.861 -6.800 189 H GLN 23 HN GLN 23 12.961 -5.083 -2.886 190 HA GLN 23 HA GLN 23 13.782 -7.704 -2.184 191 1HB GLN 23 HB2 GLN 23 11.985 -5.659 -0.859 192 2HB GLN 23 HB1 GLN 23 12.547 -7.114 -0.038 193 1HG GLN 23 HG1 GLN 23 14.378 -5.066 -1.317 194 2HG GLN 23 HG2 GLN 23 13.986 -5.110 0.400 195 1HE2 GLN 23 HE21 GLN 23 16.468 -5.896 -1.519 196 2HE2 GLN 23 HE22 GLN 23 17.021 -7.319 -0.778 197 H ILE 24 HN ILE 24 10.493 -6.422 -2.735 198 HA ILE 24 HA ILE 24 9.091 -8.828 -2.047 199 HB ILE 24 HB ILE 24 8.421 -6.569 -3.961 200 1HG1 ILE 24 HG11 ILE 24 7.636 -6.927 -1.057 201 2HG1 ILE 24 HG12 ILE 24 9.011 -5.951 -1.575 202 1HG2 ILE 24 HG21 ILE 24 6.244 -7.879 -2.499 203 2HG2 ILE 24 HG22 ILE 24 7.075 -8.968 -3.609 204 3HG2 ILE 24 HG23 ILE 24 6.358 -7.473 -4.212 205 1HD1 ILE 24 HD11 ILE 24 6.245 -5.517 -2.708 206 2HD1 ILE 24 HD12 ILE 24 7.623 -4.416 -2.736 207 3HD1 ILE 24 HD13 ILE 24 6.771 -4.723 -1.223 208 H LYS 25 HN LYS 25 10.275 -7.576 -5.179 209 HA LYS 25 HA LYS 25 9.390 -9.767 -6.811 210 1HB LYS 25 HB2 LYS 25 11.739 -7.850 -6.976 211 2HB LYS 25 HB1 LYS 25 11.242 -8.909 -8.295 212 1HG LYS 25 HG1 LYS 25 9.386 -6.913 -6.971 213 2HG LYS 25 HG2 LYS 25 10.316 -6.555 -8.426 214 1HD LYS 25 HD2 LYS 25 9.247 -8.505 -9.550 215 2HD LYS 25 HD1 LYS 25 8.266 -8.768 -8.108 216 1HE LYS 25 HE1 LYS 25 7.272 -6.520 -8.360 217 2HE LYS 25 HE2 LYS 25 8.271 -6.238 -9.798 218 1HZ LYS 25 HZ1 LYS 25 7.286 -8.146 -10.854 219 2HZ LYS 25 HZ2 LYS 25 6.035 -7.120 -10.334 220 3HZ LYS 25 HZ3 LYS 25 6.402 -8.529 -9.459 221 H ASN 26 HN ASN 26 12.483 -9.148 -5.122 222 HA ASN 26 HA ASN 26 13.831 -11.557 -5.838 223 1HB ASN 26 HB2 ASN 26 14.677 -9.436 -4.689 224 2HB ASN 26 HB1 ASN 26 13.986 -10.073 -3.203 225 1HD2 ASN 26 HD21 ASN 26 15.913 -11.533 -5.897 226 2HD2 ASN 26 HD22 ASN 26 17.049 -12.270 -4.873 227 H GLY 27 HN GLY 27 12.232 -10.808 -2.737 228 1HA GLY 27 HA2 GLY 27 12.037 -13.727 -2.238 229 2HA GLY 27 HA1 GLY 27 12.011 -12.466 -1.006 230 H ALA 28 HN ALA 28 10.074 -10.763 -2.148 231 HA ALA 28 HA ALA 28 7.737 -10.536 -2.522 232 1HB ALA 28 HB1 ALA 28 8.309 -13.050 -3.527 233 2HB ALA 28 HB2 ALA 28 6.732 -12.267 -3.602 234 3HB ALA 28 HB3 ALA 28 7.094 -13.395 -2.296 235 H ASP 29 HN ASP 29 7.335 -9.593 -0.526 236 HA ASP 29 HA ASP 29 5.978 -11.144 1.517 237 1HB ASP 29 HB2 ASP 29 8.899 -10.818 1.498 238 2HB ASP 29 HB1 ASP 29 8.152 -10.350 3.028 239 H PHE 30 HN PHE 30 4.578 -9.234 1.053 240 HA PHE 30 HA PHE 30 5.426 -6.530 1.470 241 1HB PHE 30 HB1 PHE 30 2.876 -8.065 1.251 242 2HB PHE 30 HB2 PHE 30 2.774 -6.433 1.913 243 HD1 PHE 30 HD1 PHE 30 3.276 -8.432 -1.092 244 HD2 PHE 30 HD2 PHE 30 3.684 -4.494 0.587 245 HE1 PHE 30 HE1 PHE 30 3.470 -7.479 -3.372 246 HE2 PHE 30 HE2 PHE 30 3.875 -3.542 -1.696 247 HZ PHE 30 HZ PHE 30 3.768 -5.035 -3.675 248 H GLY 31 HN GLY 31 3.766 -8.828 3.665 249 1HA GLY 31 HA1 GLY 31 3.439 -7.032 5.835 250 2HA GLY 31 HA2 GLY 31 3.526 -8.784 6.000 251 H LYS 32 HN LYS 32 6.092 -9.354 5.225 252 HA LYS 32 HA LYS 32 7.608 -8.687 7.554 253 1HB LYS 32 HB2 LYS 32 8.376 -9.786 4.830 254 2HB LYS 32 HB1 LYS 32 9.438 -9.807 6.239 255 1HG LYS 32 HG1 LYS 32 7.765 -11.133 7.481 256 2HG LYS 32 HG2 LYS 32 6.704 -11.115 6.073 257 1HD LYS 32 HD2 LYS 32 8.446 -12.277 4.754 258 2HD LYS 32 HD1 LYS 32 9.489 -12.313 6.175 259 1HE LYS 32 HE1 LYS 32 6.701 -13.475 6.294 260 2HE LYS 32 HE2 LYS 32 8.063 -14.433 5.686 261 1HZ LYS 32 HZ1 LYS 32 8.563 -12.893 8.100 262 2HZ LYS 32 HZ2 LYS 32 9.052 -14.470 7.702 263 3HZ LYS 32 HZ3 LYS 32 7.482 -14.187 8.283 264 H LEU 33 HN LEU 33 7.685 -7.397 4.229 265 HA LEU 33 HA LEU 33 9.968 -5.724 4.506 266 1HB LEU 33 HB2 LEU 33 8.904 -6.343 2.389 267 2HB LEU 33 HB1 LEU 33 7.430 -5.489 2.855 268 HG LEU 33 HG LEU 33 8.686 -3.377 2.945 269 1HD1 LEU 33 HD11 LEU 33 10.883 -4.171 3.553 270 2HD1 LEU 33 HD12 LEU 33 11.023 -3.384 1.981 271 3HD1 LEU 33 HD13 LEU 33 10.991 -5.145 2.087 272 1HD2 LEU 33 HD21 LEU 33 7.694 -3.668 0.840 273 2HD2 LEU 33 HD22 LEU 33 8.727 -5.040 0.440 274 3HD2 LEU 33 HD23 LEU 33 9.386 -3.404 0.420 275 H ALA 34 HN ALA 34 6.513 -5.114 5.189 276 HA ALA 34 HA ALA 34 6.716 -2.338 5.848 277 1HB ALA 34 HB1 ALA 34 4.718 -3.238 7.425 278 2HB ALA 34 HB2 ALA 34 4.902 -4.645 6.377 279 3HB ALA 34 HB3 ALA 34 4.536 -3.068 5.679 280 H LYS 35 HN LYS 35 6.886 -5.231 7.986 281 HA LYS 35 HA LYS 35 7.258 -3.802 10.400 282 1HB LYS 35 HB1 LYS 35 6.742 -6.246 10.053 283 2HB LYS 35 HB2 LYS 35 8.441 -6.488 9.642 284 1HG LYS 35 HG1 LYS 35 9.100 -5.601 11.851 285 2HG LYS 35 HG2 LYS 35 7.402 -5.358 12.261 286 1HD LYS 35 HD1 LYS 35 7.004 -7.790 11.992 287 2HD LYS 35 HD2 LYS 35 8.713 -8.019 11.623 288 1HE LYS 35 HE1 LYS 35 8.179 -8.492 14.032 289 2HE LYS 35 HE2 LYS 35 9.323 -7.148 13.854 290 1HZ LYS 35 HZ1 LYS 35 7.131 -6.886 15.270 291 2HZ LYS 35 HZ2 LYS 35 6.450 -6.561 13.748 292 3HZ LYS 35 HZ3 LYS 35 7.726 -5.603 14.334 293 H LYS 36 HN LYS 36 9.740 -5.045 8.126 294 HA LYS 36 HA LYS 36 11.977 -4.294 9.761 295 1HB LYS 36 HB2 LYS 36 11.604 -4.855 6.811 296 2HB LYS 36 HB1 LYS 36 13.188 -4.615 7.546 297 1HG LYS 36 HG1 LYS 36 12.758 -6.489 9.094 298 2HG LYS 36 HG2 LYS 36 11.171 -6.731 8.355 299 1HD LYS 36 HD1 LYS 36 12.250 -7.173 6.179 300 2HD LYS 36 HD2 LYS 36 13.835 -6.933 6.915 301 1HE LYS 36 HE2 LYS 36 13.654 -9.255 7.071 302 2HE LYS 36 HE1 LYS 36 12.912 -8.791 8.613 303 1HZ LYS 36 HZ1 LYS 36 11.538 -10.316 7.185 304 2HZ LYS 36 HZ2 LYS 36 11.386 -9.037 6.076 305 3HZ LYS 36 HZ3 LYS 36 10.763 -8.881 7.650 306 H HIS 37 HN HIS 37 10.423 -2.633 6.994 307 HA HIS 37 HA HIS 37 12.407 -0.443 7.272 308 1HB HIS 37 HB1 HIS 37 10.430 -1.293 5.141 309 2HB HIS 37 HB2 HIS 37 11.497 0.102 4.977 310 HD1 HIS 37 HD1 HIS 37 13.982 -0.342 4.527 311 HD2 HIS 37 HD2 HIS 37 11.795 -3.835 5.154 312 HE1 HIS 37 HE1 HIS 37 15.503 -2.264 3.890 313 H SER 38 HN SER 38 8.933 -0.978 7.533 314 HA SER 38 HA SER 38 7.997 1.616 7.037 315 1HB SER 38 HB1 SER 38 5.988 0.833 8.091 316 2HB SER 38 HB2 SER 38 6.752 -0.583 7.378 317 HG SER 38 HG SER 38 7.439 -1.226 9.349 318 H ILE 39 HN ILE 39 9.013 0.228 10.177 319 HA ILE 39 HA ILE 39 9.270 1.314 12.289 320 HB ILE 39 HB ILE 39 11.064 2.984 12.061 321 1HG1 ILE 39 HG12 ILE 39 10.585 2.814 9.078 322 2HG1 ILE 39 HG11 ILE 39 9.961 4.127 10.078 323 1HG2 ILE 39 HG21 ILE 39 12.119 1.376 9.975 324 2HG2 ILE 39 HG22 ILE 39 11.034 0.348 10.911 325 3HG2 ILE 39 HG23 ILE 39 12.364 1.183 11.711 326 1HD1 ILE 39 HD11 ILE 39 11.971 5.139 10.070 327 2HD1 ILE 39 HD12 ILE 39 12.548 3.904 8.950 328 3HD1 ILE 39 HD13 ILE 39 12.741 3.678 10.688 329 H CYS 40 HN CYS 40 6.820 2.189 10.826 330 HA CYS 40 HA CYS 40 6.649 5.026 11.797 331 1HB CYS 40 HB1 CYS 40 6.729 4.841 9.367 332 2HB CYS 40 HB2 CYS 40 5.463 3.612 9.385 333 HG CYS 40 HG CYS 40 3.736 5.385 9.585 334 HA PRO 41 HA PRO 41 3.359 3.896 14.517 335 1HB PRO 41 HB2 PRO 41 1.973 6.234 13.270 336 2HB PRO 41 HB1 PRO 41 2.220 5.856 14.985 337 1HG PRO 41 HG1 PRO 41 3.675 7.708 13.680 338 2HG PRO 41 HG2 PRO 41 4.327 6.742 15.008 339 1HD PRO 41 HD1 PRO 41 4.930 6.618 12.133 340 2HD PRO 41 HD2 PRO 41 5.884 6.043 13.513 341 H SER 42 HN SER 42 2.895 4.452 11.080 342 HA SER 42 HA SER 42 0.401 2.792 11.149 343 1HB SER 42 HB2 SER 42 0.530 3.835 8.642 344 2HB SER 42 HB1 SER 42 -0.230 4.673 9.997 345 HG SER 42 HG SER 42 1.192 6.151 9.546 346 H GLY 43 HN GLY 43 3.426 2.033 11.090 347 1HA GLY 43 HA1 GLY 43 3.423 0.425 8.586 348 2HA GLY 43 HA2 GLY 43 4.809 0.635 9.659 349 H LYS 44 HN LYS 44 4.060 -0.072 12.074 350 HA LYS 44 HA LYS 44 3.677 -2.911 12.086 351 1HB LYS 44 HB2 LYS 44 3.321 -0.711 14.142 352 2HB LYS 44 HB1 LYS 44 3.240 -2.426 14.545 353 1HG LYS 44 HG1 LYS 44 5.521 -2.743 13.659 354 2HG LYS 44 HG2 LYS 44 5.605 -1.028 13.257 355 1HD LYS 44 HD1 LYS 44 5.285 -0.464 15.648 356 2HD LYS 44 HD2 LYS 44 5.238 -2.184 16.038 357 1HE LYS 44 HE2 LYS 44 7.524 -2.488 15.499 358 2HE LYS 44 HE1 LYS 44 7.591 -0.982 14.563 359 1HZ LYS 44 HZ1 LYS 44 7.682 -1.383 17.447 360 2HZ LYS 44 HZ2 LYS 44 6.726 -0.081 16.919 361 3HZ LYS 44 HZ3 LYS 44 8.372 -0.153 16.505 362 H ARG 45 HN ARG 45 1.422 -0.184 12.519 363 HA ARG 45 HA ARG 45 -0.850 -2.078 12.784 364 1HB ARG 45 HB2 ARG 45 -0.725 -0.407 14.475 365 2HB ARG 45 HB1 ARG 45 -0.359 0.860 13.303 366 1HG ARG 45 HG2 ARG 45 -2.668 1.118 13.924 367 2HG ARG 45 HG1 ARG 45 -2.633 0.449 12.292 368 1HD ARG 45 HD1 ARG 45 -3.040 -1.807 13.173 369 2HD ARG 45 HD2 ARG 45 -2.973 -1.190 14.835 370 HE ARG 45 HE ARG 45 -4.870 0.337 13.304 371 1HH1 ARG 45 HH11 ARG 45 -4.357 -2.749 14.776 372 2HH1 ARG 45 HH12 ARG 45 -6.042 -3.038 15.054 373 1HH2 ARG 45 HH21 ARG 45 -7.067 -0.032 13.666 374 2HH2 ARG 45 HH22 ARG 45 -7.573 -1.504 14.428 375 H GLY 46 HN GLY 46 0.319 0.593 10.731 376 1HA GLY 46 HA2 GLY 46 -2.086 0.513 9.065 377 2HA GLY 46 HA1 GLY 46 -0.673 1.523 8.785 378 H GLY 47 HN GLY 47 0.731 -1.331 9.248 379 1HA GLY 47 HA2 GLY 47 0.934 -2.006 6.400 380 2HA GLY 47 HA1 GLY 47 1.720 -2.862 7.721 381 H ASP 48 HN ASP 48 -1.447 -2.484 8.599 382 HA ASP 48 HA ASP 48 -2.693 -4.632 7.072 383 1HB ASP 48 HB2 ASP 48 -1.141 -5.915 8.465 384 2HB ASP 48 HB1 ASP 48 -1.675 -5.050 9.907 385 H LEU 49 HN LEU 49 -3.861 -2.393 7.150 386 HA LEU 49 HA LEU 49 -5.133 -1.510 9.563 387 1HB LEU 49 HB1 LEU 49 -5.620 -1.048 6.605 388 2HB LEU 49 HB2 LEU 49 -6.488 -0.171 7.866 389 HG LEU 49 HG LEU 49 -3.513 -0.254 8.092 390 1HD1 LEU 49 HD11 LEU 49 -3.606 0.219 5.760 391 2HD1 LEU 49 HD12 LEU 49 -3.467 1.793 6.543 392 3HD1 LEU 49 HD13 LEU 49 -5.032 1.239 5.948 393 1HD2 LEU 49 HD21 LEU 49 -4.888 0.922 9.745 394 2HD2 LEU 49 HD22 LEU 49 -5.631 1.882 8.465 395 3HD2 LEU 49 HD23 LEU 49 -3.916 2.080 8.834 396 H GLY 50 HN GLY 50 -6.040 -3.866 7.112 397 1HA GLY 50 HA2 GLY 50 -7.653 -5.615 7.658 398 2HA GLY 50 HA1 GLY 50 -8.475 -4.471 8.719 399 H GLU 51 HN GLU 51 -10.502 -4.652 7.678 400 HA GLU 51 HA GLU 51 -10.580 -3.826 4.804 401 1HB GLU 51 HB2 GLU 51 -11.470 -6.083 5.766 402 2HB GLU 51 HB1 GLU 51 -12.807 -5.111 6.381 403 1HG GLU 51 HG2 GLU 51 -13.259 -4.295 4.098 404 2HG GLU 51 HG1 GLU 51 -11.924 -5.265 3.483 405 H PHE 52 HN PHE 52 -11.454 -1.830 4.366 406 HA PHE 52 HA PHE 52 -13.336 -0.587 6.330 407 1HB PHE 52 HB1 PHE 52 -11.880 1.486 6.146 408 2HB PHE 52 HB2 PHE 52 -11.128 0.135 6.989 409 HD1 PHE 52 HD1 PHE 52 -11.531 1.399 3.460 410 HD2 PHE 52 HD2 PHE 52 -8.955 -0.426 6.381 411 HE1 PHE 52 HE1 PHE 52 -9.693 1.362 1.811 412 HE2 PHE 52 HE2 PHE 52 -7.104 -0.443 4.730 413 HZ PHE 52 HZ PHE 52 -7.472 0.450 2.443 414 H ARG 53 HN ARG 53 -13.895 1.753 5.287 415 HA ARG 53 HA ARG 53 -13.685 2.020 2.433 416 1HB ARG 53 HB2 ARG 53 -15.272 0.258 2.284 417 2HB ARG 53 HB1 ARG 53 -16.242 0.909 3.604 418 1HG ARG 53 HG1 ARG 53 -16.746 2.900 2.188 419 2HG ARG 53 HG2 ARG 53 -15.834 2.167 0.871 420 1HD ARG 53 HD2 ARG 53 -17.392 0.287 0.771 421 2HD ARG 53 HD1 ARG 53 -18.266 0.905 2.187 422 HE ARG 53 HE ARG 53 -18.496 1.936 -0.520 423 1HH1 ARG 53 HH11 ARG 53 -18.487 2.743 2.843 424 2HH1 ARG 53 HH12 ARG 53 -19.435 4.176 2.632 425 1HH2 ARG 53 HH21 ARG 53 -19.738 3.804 -0.799 426 2HH2 ARG 53 HH22 ARG 53 -20.143 4.774 0.578 427 H GLN 54 HN GLN 54 -15.844 2.704 5.161 428 HA GLN 54 HA GLN 54 -17.076 4.997 4.175 429 1HB GLN 54 HB2 GLN 54 -16.325 4.134 6.979 430 2HB GLN 54 HB1 GLN 54 -17.446 5.456 6.649 431 1HG GLN 54 HG2 GLN 54 -18.896 3.959 5.404 432 2HG GLN 54 HG1 GLN 54 -17.762 2.630 5.606 433 1HE2 GLN 54 HE21 GLN 54 -20.463 2.457 6.580 434 2HE2 GLN 54 HE22 GLN 54 -20.413 2.408 8.276 435 H GLY 55 HN GLY 55 -14.228 4.903 6.319 436 1HA GLY 55 HA2 GLY 55 -13.803 7.801 5.934 437 2HA GLY 55 HA1 GLY 55 -12.846 6.748 6.978 438 H GLN 56 HN GLN 56 -10.956 5.942 6.178 439 HA GLN 56 HA GLN 56 -9.262 5.366 4.641 440 1HB GLN 56 HB2 GLN 56 -11.259 5.537 2.410 441 2HB GLN 56 HB1 GLN 56 -10.076 4.278 2.752 442 1HG GLN 56 HG1 GLN 56 -12.802 4.651 3.973 443 2HG GLN 56 HG2 GLN 56 -12.102 3.217 3.239 444 1HE2 GLN 56 HE21 GLN 56 -9.570 3.251 4.634 445 2HE2 GLN 56 HE22 GLN 56 -9.877 2.904 6.273 446 H MET 57 HN MET 57 -11.436 7.331 2.655 447 HA MET 57 HA MET 57 -11.177 9.436 1.646 448 1HB MET 57 HB2 MET 57 -10.798 9.857 4.099 449 2HB MET 57 HB1 MET 57 -9.064 9.723 3.796 450 1HG MET 57 HG2 MET 57 -9.306 11.548 2.072 451 2HG MET 57 HG1 MET 57 -10.976 11.753 2.605 452 1HE MET 57 HE1 MET 57 -7.560 12.476 2.758 453 2HE MET 57 HE2 MET 57 -7.180 11.641 4.261 454 3HE MET 57 HE3 MET 57 -7.202 13.402 4.222 455 H VAL 58 HN VAL 58 -7.862 8.472 2.626 456 HA VAL 58 HA VAL 58 -6.372 10.002 1.000 457 HB VAL 58 HB VAL 58 -5.293 8.432 2.418 458 1HG1 VAL 58 HG21 VAL 58 -6.710 6.335 0.761 459 2HG1 VAL 58 HG22 VAL 58 -7.015 6.731 2.454 460 3HG1 VAL 58 HG23 VAL 58 -5.494 5.969 1.985 461 1HG2 VAL 58 HG11 VAL 58 -4.738 7.312 -0.338 462 2HG2 VAL 58 HG12 VAL 58 -3.619 7.466 1.016 463 3HG2 VAL 58 HG13 VAL 58 -4.171 8.906 0.162 464 HA PRO 59 HA PRO 59 -7.816 9.365 -3.090 465 1HB PRO 59 HB2 PRO 59 -5.719 10.603 -4.389 466 2HB PRO 59 HB1 PRO 59 -7.045 11.473 -3.595 467 1HG PRO 59 HG1 PRO 59 -4.281 10.932 -2.635 468 2HG PRO 59 HG2 PRO 59 -5.290 12.369 -2.418 469 1HD PRO 59 HD2 PRO 59 -4.899 10.502 -0.468 470 2HD PRO 59 HD1 PRO 59 -6.372 11.487 -0.597 471 H ALA 60 HN ALA 60 -4.290 8.869 -2.659 472 HA ALA 60 HA ALA 60 -3.625 7.346 -4.834 473 1HB ALA 60 HB1 ALA 60 -2.939 6.911 -1.909 474 2HB ALA 60 HB2 ALA 60 -2.065 7.919 -3.063 475 3HB ALA 60 HB3 ALA 60 -2.055 6.165 -3.241 476 H PHE 61 HN PHE 61 -5.455 6.213 -2.014 477 HA PHE 61 HA PHE 61 -5.620 3.439 -2.685 478 1HB PHE 61 HB2 PHE 61 -6.245 4.544 -0.532 479 2HB PHE 61 HB1 PHE 61 -7.639 5.263 -1.336 480 HD1 PHE 61 HD1 PHE 61 -6.096 2.091 -0.220 481 HD2 PHE 61 HD2 PHE 61 -9.596 3.950 -1.884 482 HE1 PHE 61 HE1 PHE 61 -7.394 0.018 0.198 483 HE2 PHE 61 HE2 PHE 61 -10.896 1.876 -1.469 484 HZ PHE 61 HZ PHE 61 -9.793 -0.091 -0.429 485 H ASP 62 HN ASP 62 -7.696 6.210 -3.577 486 HA ASP 62 HA ASP 62 -9.670 4.778 -5.063 487 1HB ASP 62 HB1 ASP 62 -9.792 7.141 -4.307 488 2HB ASP 62 HB2 ASP 62 -8.525 7.561 -5.459 489 H LYS 63 HN LYS 63 -6.583 6.241 -6.114 490 HA LYS 63 HA LYS 63 -6.810 5.679 -8.886 491 1HB LYS 63 HB1 LYS 63 -4.469 5.823 -6.966 492 2HB LYS 63 HB2 LYS 63 -4.268 5.729 -8.716 493 1HG LYS 63 HG1 LYS 63 -5.610 7.785 -8.980 494 2HG LYS 63 HG2 LYS 63 -5.810 7.880 -7.230 495 1HD LYS 63 HD2 LYS 63 -3.359 8.059 -6.961 496 2HD LYS 63 HD1 LYS 63 -3.165 7.972 -8.711 497 1HE LYS 63 HE1 LYS 63 -3.744 10.161 -8.986 498 2HE LYS 63 HE2 LYS 63 -5.086 10.032 -7.834 499 1HZ LYS 63 HZ1 LYS 63 -2.373 9.767 -6.778 500 2HZ LYS 63 HZ2 LYS 63 -3.744 10.480 -6.072 501 3HZ LYS 63 HZ3 LYS 63 -2.855 11.323 -7.249 502 H VAL 64 HN VAL 64 -5.291 3.724 -6.295 503 HA VAL 64 HA VAL 64 -4.644 1.509 -8.016 504 HB VAL 64 HB VAL 64 -3.492 1.952 -5.908 505 1HG1 VAL 64 HG21 VAL 64 -6.182 1.359 -4.629 506 2HG1 VAL 64 HG22 VAL 64 -5.356 2.916 -4.627 507 3HG1 VAL 64 HG23 VAL 64 -4.670 1.555 -3.746 508 1HG2 VAL 64 HG11 VAL 64 -3.461 -0.288 -5.022 509 2HG2 VAL 64 HG12 VAL 64 -3.768 -0.419 -6.754 510 3HG2 VAL 64 HG13 VAL 64 -5.096 -0.599 -5.606 511 H VAL 65 HN VAL 65 -7.404 2.103 -5.816 512 HA VAL 65 HA VAL 65 -8.805 -0.362 -6.263 513 HB VAL 65 HB VAL 65 -9.544 2.498 -5.634 514 1HG1 VAL 65 HG21 VAL 65 -11.831 1.071 -5.104 515 2HG1 VAL 65 HG22 VAL 65 -11.302 0.345 -6.621 516 3HG1 VAL 65 HG23 VAL 65 -11.594 2.082 -6.529 517 1HG2 VAL 65 HG11 VAL 65 -9.735 -0.131 -4.131 518 2HG2 VAL 65 HG12 VAL 65 -10.235 1.436 -3.493 519 3HG2 VAL 65 HG13 VAL 65 -8.536 1.135 -3.862 520 H PHE 66 HN PHE 66 -8.358 2.558 -8.159 521 HA PHE 66 HA PHE 66 -10.102 1.480 -10.327 522 1HB PHE 66 HB1 PHE 66 -9.058 4.153 -9.454 523 2HB PHE 66 HB2 PHE 66 -9.501 3.933 -11.153 524 HD1 PHE 66 HD1 PHE 66 -11.826 3.411 -11.787 525 HD2 PHE 66 HD2 PHE 66 -10.718 4.062 -7.685 526 HE1 PHE 66 HE1 PHE 66 -14.221 3.644 -11.178 527 HE2 PHE 66 HE2 PHE 66 -13.111 4.295 -7.075 528 HZ PHE 66 HZ PHE 66 -14.863 4.087 -8.820 529 H SER 67 HN SER 67 -7.055 1.007 -9.419 530 HA SER 67 HA SER 67 -5.862 1.249 -12.149 531 1HB SER 67 HB1 SER 67 -4.726 2.161 -10.033 532 2HB SER 67 HB2 SER 67 -4.491 0.478 -9.567 533 HG SER 67 HG SER 67 -3.072 0.219 -11.121 534 H CYS 68 HN CYS 68 -5.872 -1.058 -9.400 535 HA CYS 68 HA CYS 68 -5.888 -3.289 -11.406 536 1HB CYS 68 HB2 CYS 68 -4.656 -2.891 -8.682 537 2HB CYS 68 HB1 CYS 68 -4.903 -4.516 -9.326 538 HG CYS 68 HG CYS 68 -3.539 -3.206 -11.510 539 HA PRO 69 HA PRO 69 -9.849 -4.414 -9.865 540 1HB PRO 69 HB1 PRO 69 -9.183 -7.229 -10.387 541 2HB PRO 69 HB2 PRO 69 -10.388 -6.198 -11.179 542 1HG PRO 69 HG2 PRO 69 -8.096 -7.018 -12.375 543 2HG PRO 69 HG1 PRO 69 -8.931 -5.514 -12.784 544 1HD PRO 69 HD2 PRO 69 -6.453 -5.932 -11.194 545 2HD PRO 69 HD1 PRO 69 -6.912 -4.582 -12.253 546 H VAL 70 HN VAL 70 -8.934 -3.896 -7.655 547 HA VAL 70 HA VAL 70 -8.138 -4.565 -5.467 548 HB VAL 70 HB VAL 70 -10.180 -5.327 -4.421 549 1HG1 VAL 70 HG11 VAL 70 -11.157 -3.370 -4.963 550 2HG1 VAL 70 HG12 VAL 70 -11.526 -3.949 -6.589 551 3HG1 VAL 70 HG13 VAL 70 -9.961 -3.208 -6.250 552 1HG2 VAL 70 HG21 VAL 70 -10.605 -6.544 -7.111 553 2HG2 VAL 70 HG22 VAL 70 -12.032 -5.946 -6.267 554 3HG2 VAL 70 HG23 VAL 70 -11.013 -7.175 -5.517 555 H LEU 71 HN LEU 71 -6.724 -6.317 -7.137 556 HA LEU 71 HA LEU 71 -6.425 -8.611 -5.358 557 1HB LEU 71 HB2 LEU 71 -7.896 -8.764 -7.961 558 2HB LEU 71 HB1 LEU 71 -6.848 -10.114 -7.535 559 HG LEU 71 HG LEU 71 -8.229 -9.561 -5.173 560 1HD1 LEU 71 HD21 LEU 71 -10.502 -9.253 -5.684 561 2HD1 LEU 71 HD22 LEU 71 -10.285 -9.728 -7.369 562 3HD1 LEU 71 HD23 LEU 71 -9.704 -8.157 -6.814 563 1HD2 LEU 71 HD11 LEU 71 -7.682 -11.717 -6.777 564 2HD2 LEU 71 HD12 LEU 71 -9.434 -11.595 -6.942 565 3HD2 LEU 71 HD13 LEU 71 -8.708 -11.780 -5.345 566 H GLU 72 HN GLU 72 -4.611 -6.623 -6.161 567 HA GLU 72 HA GLU 72 -2.442 -8.226 -7.234 568 1HB GLU 72 HB1 GLU 72 -4.221 -6.945 -9.043 569 2HB GLU 72 HB2 GLU 72 -2.706 -6.042 -9.091 570 1HG GLU 72 HG2 GLU 72 -2.681 -9.052 -9.188 571 2HG GLU 72 HG1 GLU 72 -2.979 -8.119 -10.655 572 HA PRO 73 HA PRO 73 -0.559 -5.099 -4.645 573 1HB PRO 73 HB2 PRO 73 1.918 -6.152 -5.902 574 2HB PRO 73 HB1 PRO 73 1.504 -6.005 -4.185 575 1HG PRO 73 HG1 PRO 73 1.535 -8.367 -5.470 576 2HG PRO 73 HG2 PRO 73 0.418 -8.017 -4.143 577 1HD PRO 73 HD1 PRO 73 -0.106 -8.198 -7.060 578 2HD PRO 73 HD2 PRO 73 -1.177 -8.556 -5.689 579 H THR 74 HN THR 74 -0.597 -3.006 -5.387 580 HA THR 74 HA THR 74 0.743 -2.416 -8.005 581 HB THR 74 HB THR 74 -1.800 -1.298 -6.784 582 HG1 THR 74 HG1 THR 74 -1.300 -2.855 -9.099 583 1HG2 THR 74 HG21 THR 74 -0.424 -0.632 -9.400 584 2HG2 THR 74 HG22 THR 74 -0.549 0.435 -8.002 585 3HG2 THR 74 HG23 THR 74 -2.001 -0.028 -8.892 586 H GLY 75 HN GLY 75 2.345 -0.902 -7.806 587 1HA GLY 75 HA1 GLY 75 2.508 1.525 -6.715 588 2HA GLY 75 HA2 GLY 75 2.587 0.563 -5.241 589 HA PRO 76 HA PRO 76 3.899 1.980 -4.393 590 1HB PRO 76 HB1 PRO 76 5.790 3.967 -4.402 591 2HB PRO 76 HB2 PRO 76 5.965 2.460 -3.485 592 1HG PRO 76 HG2 PRO 76 7.155 3.244 -6.102 593 2HG PRO 76 HG1 PRO 76 7.871 2.324 -4.769 594 1HD PRO 76 HD1 PRO 76 6.902 1.178 -7.051 595 2HD PRO 76 HD2 PRO 76 6.967 0.349 -5.482 596 H LEU 77 HN LEU 77 2.957 4.187 -4.499 597 HA LEU 77 HA LEU 77 2.734 5.242 -7.300 598 1HB LEU 77 HB2 LEU 77 0.905 3.656 -6.562 599 2HB LEU 77 HB1 LEU 77 0.489 4.820 -5.305 600 HG LEU 77 HG LEU 77 0.668 5.674 -8.189 601 1HD1 LEU 77 HD11 LEU 77 -2.051 5.249 -7.368 602 2HD1 LEU 77 HD12 LEU 77 -1.153 3.744 -7.162 603 3HD1 LEU 77 HD13 LEU 77 -1.196 4.538 -8.737 604 1HD2 LEU 77 HD21 LEU 77 0.149 7.641 -7.217 605 2HD2 LEU 77 HD22 LEU 77 -0.030 6.859 -5.646 606 3HD2 LEU 77 HD23 LEU 77 -1.403 6.946 -6.749 607 H HIS 78 HN HIS 78 2.101 7.511 -7.398 608 HA HIS 78 HA HIS 78 3.307 9.102 -5.314 609 1HB HIS 78 HB1 HIS 78 1.668 9.686 -7.791 610 2HB HIS 78 HB2 HIS 78 2.379 10.962 -6.797 611 HD1 HIS 78 HD1 HIS 78 3.157 8.770 -9.576 612 HD2 HIS 78 HD2 HIS 78 5.348 10.544 -6.506 613 HE1 HIS 78 HE1 HIS 78 5.587 8.672 -10.282 614 H THR 79 HN THR 79 2.360 9.954 -3.524 615 HA THR 79 HA THR 79 -0.552 10.559 -3.551 616 HB THR 79 HB THR 79 -0.238 8.262 -2.624 617 HG1 THR 79 HG1 THR 79 -1.490 8.646 -0.875 618 1HG2 THR 79 HG21 THR 79 1.800 8.053 -1.600 619 2HG2 THR 79 HG22 THR 79 0.870 8.512 -0.175 620 3HG2 THR 79 HG23 THR 79 1.806 9.726 -1.043 621 H GLN 80 HN GLN 80 -1.111 12.014 -1.694 622 HA GLN 80 HA GLN 80 0.711 14.179 -1.390 623 1HB GLN 80 HB1 GLN 80 -1.692 13.236 0.204 624 2HB GLN 80 HB2 GLN 80 -0.922 14.802 0.453 625 1HG GLN 80 HG2 GLN 80 -1.371 15.435 -1.861 626 2HG GLN 80 HG1 GLN 80 -2.036 13.838 -2.199 627 1HE2 GLN 80 HE21 GLN 80 -3.722 16.005 -2.646 628 2HE2 GLN 80 HE22 GLN 80 -4.916 16.081 -1.442 629 H PHE 81 HN PHE 81 0.373 11.190 0.396 630 HA PHE 81 HA PHE 81 1.790 12.160 2.774 631 1HB PHE 81 HB2 PHE 81 0.866 9.430 1.827 632 2HB PHE 81 HB1 PHE 81 1.465 9.775 3.447 633 HD1 PHE 81 HD1 PHE 81 -1.299 10.280 1.065 634 HD2 PHE 81 HD2 PHE 81 0.154 11.107 5.025 635 HE1 PHE 81 HE1 PHE 81 -3.570 11.016 1.745 636 HE2 PHE 81 HE2 PHE 81 -2.117 11.846 5.705 637 HZ PHE 81 HZ PHE 81 -3.979 11.799 4.064 638 H GLY 82 HN GLY 82 2.871 11.260 -0.263 639 1HA GLY 82 HA2 GLY 82 5.444 11.179 -0.418 640 2HA GLY 82 HA1 GLY 82 5.320 9.944 0.833 641 H TYR 83 HN TYR 83 5.937 8.112 -0.283 642 HA TYR 83 HA TYR 83 4.495 7.456 -2.819 643 1HB TYR 83 HB1 TYR 83 6.967 6.398 -1.427 644 2HB TYR 83 HB2 TYR 83 6.245 5.582 -2.815 645 HD1 TYR 83 HD1 TYR 83 5.718 7.142 -4.888 646 HD2 TYR 83 HD2 TYR 83 8.574 8.057 -1.807 647 HE1 TYR 83 HE1 TYR 83 6.864 8.724 -6.419 648 HE2 TYR 83 HE2 TYR 83 9.720 9.638 -3.339 649 HH TYR 83 HH TYR 83 8.925 11.045 -5.459 650 H HIS 84 HN HIS 84 2.847 5.974 -2.709 651 HA HIS 84 HA HIS 84 2.607 4.324 -0.211 652 1HB HIS 84 HB2 HIS 84 0.629 5.754 -1.972 653 2HB HIS 84 HB1 HIS 84 0.112 4.330 -1.074 654 HD1 HIS 84 HD1 HIS 84 -1.165 6.908 -0.239 655 HD2 HIS 84 HD2 HIS 84 2.449 5.614 1.384 656 HE1 HIS 84 HE1 HIS 84 -0.928 8.075 1.992 657 H ILE 85 HN ILE 85 2.874 2.166 -0.569 658 HA ILE 85 HA ILE 85 2.120 1.099 -3.274 659 HB ILE 85 HB ILE 85 4.521 0.858 -2.470 660 1HG1 ILE 85 HG12 ILE 85 3.300 -1.875 -2.668 661 2HG1 ILE 85 HG11 ILE 85 3.091 -0.760 -4.016 662 1HG2 ILE 85 HG21 ILE 85 3.283 -1.136 -0.553 663 2HG2 ILE 85 HG22 ILE 85 3.834 0.468 -0.069 664 3HG2 ILE 85 HG23 ILE 85 4.990 -0.709 -0.693 665 1HD1 ILE 85 HD11 ILE 85 5.088 -1.742 -4.639 666 2HD1 ILE 85 HD12 ILE 85 5.588 -2.030 -2.973 667 3HD1 ILE 85 HD13 ILE 85 5.714 -0.413 -3.664 668 H ILE 86 HN ILE 86 0.325 -0.212 -3.271 669 HA ILE 86 HA ILE 86 -0.632 -1.283 -0.633 670 HB ILE 86 HB ILE 86 -2.325 0.071 -2.750 671 1HG1 ILE 86 HG11 ILE 86 -1.268 1.362 -0.227 672 2HG1 ILE 86 HG12 ILE 86 -0.509 1.580 -1.801 673 1HG2 ILE 86 HG21 ILE 86 -3.221 -1.493 -0.842 674 2HG2 ILE 86 HG22 ILE 86 -4.030 0.042 -1.149 675 3HG2 ILE 86 HG23 ILE 86 -2.899 -0.104 0.195 676 1HD1 ILE 86 HD11 ILE 86 -2.863 2.264 -2.622 677 2HD1 ILE 86 HD12 ILE 86 -1.992 3.417 -1.611 678 3HD1 ILE 86 HD13 ILE 86 -3.269 2.421 -0.913 679 H LYS 87 HN LYS 87 -1.550 -3.323 -0.756 680 HA LYS 87 HA LYS 87 -2.215 -4.371 -3.491 681 1HB LYS 87 HB2 LYS 87 -1.891 -6.621 -2.459 682 2HB LYS 87 HB1 LYS 87 -0.426 -5.642 -2.387 683 1HG LYS 87 HG2 LYS 87 -0.742 -5.151 -0.087 684 2HG LYS 87 HG1 LYS 87 -2.417 -5.700 -0.118 685 1HD LYS 87 HD2 LYS 87 -0.981 -7.385 0.956 686 2HD LYS 87 HD1 LYS 87 -1.639 -8.011 -0.555 687 1HE LYS 87 HE1 LYS 87 0.540 -7.192 -1.659 688 2HE LYS 87 HE2 LYS 87 1.170 -7.021 -0.009 689 1HZ LYS 87 HZ1 LYS 87 1.502 -9.272 -1.063 690 2HZ LYS 87 HZ2 LYS 87 -0.182 -9.479 -0.984 691 3HZ LYS 87 HZ3 LYS 87 0.721 -9.287 0.442 692 H VAL 88 HN VAL 88 -4.350 -4.880 -3.791 693 HA VAL 88 HA VAL 88 -6.179 -4.302 -1.506 694 HB VAL 88 HB VAL 88 -6.594 -4.280 -4.509 695 1HG1 VAL 88 HG11 VAL 88 -8.195 -2.638 -2.600 696 2HG1 VAL 88 HG12 VAL 88 -8.534 -4.368 -2.655 697 3HG1 VAL 88 HG13 VAL 88 -8.689 -3.392 -4.115 698 1HG2 VAL 88 HG21 VAL 88 -5.465 -2.297 -2.595 699 2HG2 VAL 88 HG22 VAL 88 -6.552 -1.684 -3.842 700 3HG2 VAL 88 HG23 VAL 88 -5.089 -2.557 -4.299 701 H LEU 89 HN LEU 89 -7.884 -5.750 -1.003 702 HA LEU 89 HA LEU 89 -7.989 -8.300 -2.530 703 1HB LEU 89 HB2 LEU 89 -7.814 -7.948 0.480 704 2HB LEU 89 HB1 LEU 89 -7.822 -9.480 -0.391 705 HG LEU 89 HG LEU 89 -5.703 -7.322 -0.638 706 1HD1 LEU 89 HD11 LEU 89 -6.074 -9.292 1.335 707 2HD1 LEU 89 HD12 LEU 89 -4.602 -8.371 1.028 708 3HD1 LEU 89 HD13 LEU 89 -4.833 -9.941 0.261 709 1HD2 LEU 89 HD21 LEU 89 -5.017 -8.383 -2.503 710 2HD2 LEU 89 HD22 LEU 89 -6.467 -9.383 -2.427 711 3HD2 LEU 89 HD23 LEU 89 -4.980 -9.925 -1.649 712 H TYR 90 HN TYR 90 -10.135 -8.862 -2.882 713 HA TYR 90 HA TYR 90 -12.368 -9.382 -2.387 714 1HB TYR 90 HB2 TYR 90 -11.284 -9.375 -0.024 715 2HB TYR 90 HB1 TYR 90 -12.077 -7.810 0.166 716 HD1 TYR 90 HD1 TYR 90 -12.702 -11.394 -0.668 717 HD2 TYR 90 HD2 TYR 90 -14.401 -7.664 0.630 718 HE1 TYR 90 HE1 TYR 90 -14.845 -12.543 -0.172 719 HE2 TYR 90 HE2 TYR 90 -16.544 -8.813 1.125 720 HH TYR 90 HH TYR 90 -16.903 -11.918 1.578 721 H ARG 91 HN ARG 91 -11.235 -6.078 -2.122 722 HA ARG 91 HA ARG 91 -12.296 -4.044 -2.687 723 1HB ARG 91 HB1 ARG 91 -12.956 -5.773 -4.600 724 2HB ARG 91 HB2 ARG 91 -14.554 -5.639 -3.868 725 1HG ARG 91 HG1 ARG 91 -13.833 -3.005 -4.017 726 2HG ARG 91 HG2 ARG 91 -13.028 -3.654 -5.440 727 1HD ARG 91 HD1 ARG 91 -15.937 -4.235 -4.833 728 2HD ARG 91 HD2 ARG 91 -15.419 -2.874 -5.844 729 HE ARG 91 HE ARG 91 -15.238 -5.722 -6.553 730 1HH1 ARG 91 HH11 ARG 91 -14.040 -2.514 -7.036 731 2HH1 ARG 91 HH12 ARG 91 -13.450 -2.839 -8.631 732 1HH2 ARG 91 HH21 ARG 91 -14.466 -6.152 -8.626 733 2HH2 ARG 91 HH22 ARG 91 -13.688 -4.894 -9.529 734 H ASN 92 HN ASN 92 -15.086 -3.474 -2.745 735 HA ASN 92 HA ASN 92 -15.768 -3.823 0.124 736 1HB ASN 92 HB1 ASN 92 -16.906 -2.131 -2.127 737 2HB ASN 92 HB2 ASN 92 -17.429 -2.047 -0.444 738 1HD2 ASN 92 HD21 ASN 92 -15.793 -1.290 1.164 739 2HD2 ASN 92 HD22 ASN 92 -14.489 -0.331 0.652 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -16.762 -2.563 -5.587 2 2H ALA 1 HT2 ALA 1 -17.724 -1.655 -4.521 3 3H ALA 1 HT3 ALA 1 -18.038 -3.309 -4.755 4 HA ALA 1 HA ALA 1 -16.347 -3.985 -3.404 5 1HB ALA 1 HB1 ALA 1 -14.797 -2.822 -5.033 6 2HB ALA 1 HB2 ALA 1 -14.234 -2.801 -3.361 7 3HB ALA 1 HB3 ALA 1 -14.974 -1.361 -4.060 8 H LYS 2 HN LYS 2 -18.277 -3.453 -1.964 9 HA LYS 2 HA LYS 2 -18.591 -0.971 -0.603 10 1HB LYS 2 HB2 LYS 2 -20.184 -2.895 -0.683 11 2HB LYS 2 HB1 LYS 2 -19.099 -3.801 0.371 12 1HG LYS 2 HG1 LYS 2 -19.337 -2.066 2.112 13 2HG LYS 2 HG2 LYS 2 -20.423 -1.159 1.058 14 1HD LYS 2 HD2 LYS 2 -22.031 -2.987 1.068 15 2HD LYS 2 HD1 LYS 2 -20.924 -4.000 1.994 16 1HE LYS 2 HE1 LYS 2 -21.875 -1.319 3.036 17 2HE LYS 2 HE2 LYS 2 -22.762 -2.823 3.351 18 1HZ LYS 2 HZ1 LYS 2 -21.292 -3.026 5.037 19 2HZ LYS 2 HZ2 LYS 2 -20.173 -1.953 4.344 20 3HZ LYS 2 HZ3 LYS 2 -20.233 -3.573 3.831 21 H THR 3 HN THR 3 -16.617 -3.825 0.191 22 HA THR 3 HA THR 3 -15.068 -2.109 2.097 23 HB THR 3 HB THR 3 -15.007 -4.002 3.641 24 HG1 THR 3 HG1 THR 3 -16.266 -5.871 3.060 25 1HG2 THR 3 HG21 THR 3 -17.582 -4.320 3.909 26 2HG2 THR 3 HG22 THR 3 -17.695 -3.158 2.588 27 3HG2 THR 3 HG23 THR 3 -16.903 -2.704 4.098 28 H ALA 4 HN ALA 4 -12.822 -2.472 2.016 29 HA ALA 4 HA ALA 4 -11.854 -4.670 0.230 30 1HB ALA 4 HB1 ALA 4 -11.228 -1.710 0.208 31 2HB ALA 4 HB2 ALA 4 -11.821 -2.704 -1.123 32 3HB ALA 4 HB3 ALA 4 -10.161 -2.890 -0.554 33 H ALA 5 HN ALA 5 -9.947 -5.646 0.963 34 HA ALA 5 HA ALA 5 -8.916 -4.785 3.622 35 1HB ALA 5 HB1 ALA 5 -7.659 -7.010 3.303 36 2HB ALA 5 HB2 ALA 5 -8.627 -7.221 1.843 37 3HB ALA 5 HB3 ALA 5 -9.416 -7.123 3.417 38 H ALA 6 HN ALA 6 -7.183 -3.403 3.582 39 HA ALA 6 HA ALA 6 -5.437 -3.451 1.143 40 1HB ALA 6 HB1 ALA 6 -6.324 -0.993 2.648 41 2HB ALA 6 HB2 ALA 6 -7.351 -1.730 1.418 42 3HB ALA 6 HB3 ALA 6 -5.757 -1.114 0.982 43 H LEU 7 HN LEU 7 -3.353 -3.798 1.702 44 HA LEU 7 HA LEU 7 -2.322 -2.807 4.328 45 1HB LEU 7 HB1 LEU 7 -1.374 -4.758 2.217 46 2HB LEU 7 HB2 LEU 7 -0.266 -4.126 3.434 47 HG LEU 7 HG LEU 7 -1.472 -5.105 5.211 48 1HD1 LEU 7 HD11 LEU 7 -3.721 -5.620 3.245 49 2HD1 LEU 7 HD12 LEU 7 -3.730 -4.407 4.524 50 3HD1 LEU 7 HD13 LEU 7 -3.710 -6.121 4.936 51 1HD2 LEU 7 HD21 LEU 7 -2.112 -7.294 3.357 52 2HD2 LEU 7 HD22 LEU 7 -1.014 -7.275 4.739 53 3HD2 LEU 7 HD23 LEU 7 -0.483 -6.648 3.176 54 H HIS 8 HN HIS 8 -0.626 -1.228 4.324 55 HA HIS 8 HA HIS 8 0.031 -0.029 1.656 56 1HB HIS 8 HB1 HIS 8 -0.888 1.406 4.172 57 2HB HIS 8 HB2 HIS 8 -0.455 2.180 2.648 58 HD1 HIS 8 HD1 HIS 8 -2.245 2.324 0.878 59 HD2 HIS 8 HD2 HIS 8 -3.271 -0.307 3.941 60 HE1 HIS 8 HE1 HIS 8 -4.649 1.646 0.463 61 H ILE 9 HN ILE 9 2.213 0.262 1.476 62 HA ILE 9 HA ILE 9 3.808 0.597 3.995 63 HB ILE 9 HB ILE 9 4.661 -0.077 1.171 64 1HG1 ILE 9 HG11 ILE 9 4.522 -1.796 3.654 65 2HG1 ILE 9 HG12 ILE 9 3.408 -1.896 2.294 66 1HG2 ILE 9 HG21 ILE 9 6.126 0.515 3.697 67 2HG2 ILE 9 HG22 ILE 9 6.562 0.899 2.032 68 3HG2 ILE 9 HG23 ILE 9 6.772 -0.744 2.643 69 1HD1 ILE 9 HD11 ILE 9 6.041 -3.073 2.565 70 2HD1 ILE 9 HD12 ILE 9 5.986 -2.008 1.160 71 3HD1 ILE 9 HD13 ILE 9 4.833 -3.334 1.308 72 H LEU 10 HN LEU 10 4.421 2.651 4.411 73 HA LEU 10 HA LEU 10 4.335 4.682 2.226 74 1HB LEU 10 HB2 LEU 10 2.951 5.088 4.210 75 2HB LEU 10 HB1 LEU 10 4.350 4.861 5.260 76 HG LEU 10 HG LEU 10 3.667 7.288 4.718 77 1HD1 LEU 10 HD11 LEU 10 5.792 7.851 5.272 78 2HD1 LEU 10 HD12 LEU 10 6.468 7.053 3.851 79 3HD1 LEU 10 HD13 LEU 10 6.089 6.112 5.294 80 1HD2 LEU 10 HD21 LEU 10 3.330 6.851 2.274 81 2HD2 LEU 10 HD22 LEU 10 5.069 6.598 2.118 82 3HD2 LEU 10 HD23 LEU 10 4.447 8.179 2.593 83 H VAL 11 HN VAL 11 6.309 5.151 1.364 84 HA VAL 11 HA VAL 11 8.744 4.758 3.072 85 HB VAL 11 HB VAL 11 8.658 4.969 0.057 86 1HG1 VAL 11 HG21 VAL 11 10.831 5.080 1.323 87 2HG1 VAL 11 HG22 VAL 11 10.727 3.732 0.192 88 3HG1 VAL 11 HG23 VAL 11 10.503 3.453 1.919 89 1HG2 VAL 11 HG11 VAL 11 8.455 2.518 -0.027 90 2HG2 VAL 11 HG12 VAL 11 7.043 3.216 0.769 91 3HG2 VAL 11 HG13 VAL 11 8.313 2.458 1.730 92 H LYS 12 HN LYS 12 9.958 6.540 3.534 93 HA LYS 12 HA LYS 12 9.087 9.201 2.883 94 1HB LYS 12 HB1 LYS 12 10.359 8.554 4.896 95 2HB LYS 12 HB2 LYS 12 11.738 8.111 3.888 96 1HG LYS 12 HG2 LYS 12 11.852 10.456 3.061 97 2HG LYS 12 HG1 LYS 12 10.523 10.882 4.139 98 1HD LYS 12 HD2 LYS 12 13.143 9.676 5.078 99 2HD LYS 12 HD1 LYS 12 12.798 11.406 5.081 100 1HE LYS 12 HE1 LYS 12 11.225 11.221 6.796 101 2HE LYS 12 HE2 LYS 12 10.855 9.531 6.411 102 1HZ LYS 12 HZ1 LYS 12 13.539 10.407 7.319 103 2HZ LYS 12 HZ2 LYS 12 12.918 8.827 7.260 104 3HZ LYS 12 HZ3 LYS 12 12.337 9.929 8.415 105 H GLU 13 HN GLU 13 11.657 7.111 1.568 106 HA GLU 13 HA GLU 13 12.203 9.210 -0.503 107 1HB GLU 13 HB1 GLU 13 14.496 8.359 -0.417 108 2HB GLU 13 HB2 GLU 13 13.945 8.716 1.220 109 1HG GLU 13 HG1 GLU 13 13.340 6.312 1.502 110 2HG GLU 13 HG2 GLU 13 14.002 5.986 -0.098 111 H GLU 14 HN GLU 14 12.181 8.608 -2.651 112 HA GLU 14 HA GLU 14 10.719 6.352 -3.526 113 1HB GLU 14 HB2 GLU 14 11.074 8.448 -4.771 114 2HB GLU 14 HB1 GLU 14 12.784 8.057 -4.951 115 1HG GLU 14 HG1 GLU 14 12.187 6.020 -6.211 116 2HG GLU 14 HG2 GLU 14 10.476 6.410 -6.030 117 H LYS 15 HN LYS 15 14.257 6.866 -3.572 118 HA LYS 15 HA LYS 15 15.036 4.598 -4.982 119 1HB LYS 15 HB1 LYS 15 16.326 5.969 -2.597 120 2HB LYS 15 HB2 LYS 15 17.176 4.882 -3.695 121 1HG LYS 15 HG2 LYS 15 16.621 6.364 -5.593 122 2HG LYS 15 HG1 LYS 15 15.772 7.452 -4.496 123 1HD LYS 15 HD2 LYS 15 17.869 7.838 -3.254 124 2HD LYS 15 HD1 LYS 15 18.720 6.751 -4.352 125 1HE LYS 15 HE1 LYS 15 19.040 8.482 -5.781 126 2HE LYS 15 HE2 LYS 15 17.283 8.669 -5.933 127 1HZ LYS 15 HZ1 LYS 15 17.336 9.858 -3.770 128 2HZ LYS 15 HZ2 LYS 15 18.178 10.675 -4.999 129 3HZ LYS 15 HZ3 LYS 15 19.031 9.810 -3.812 130 H LEU 16 HN LEU 16 14.211 4.817 -1.536 131 HA LEU 16 HA LEU 16 14.916 2.110 -0.823 132 1HB LEU 16 HB2 LEU 16 14.443 4.115 0.674 133 2HB LEU 16 HB1 LEU 16 12.732 3.886 0.309 134 HG LEU 16 HG LEU 16 14.253 1.489 1.219 135 1HD1 LEU 16 HD11 LEU 16 14.415 2.116 3.455 136 2HD1 LEU 16 HD12 LEU 16 13.188 3.371 3.298 137 3HD1 LEU 16 HD13 LEU 16 14.809 3.638 2.656 138 1HD2 LEU 16 HD21 LEU 16 11.588 2.168 0.749 139 2HD2 LEU 16 HD22 LEU 16 11.723 2.161 2.506 140 3HD2 LEU 16 HD23 LEU 16 12.159 0.724 1.583 141 H ALA 17 HN ALA 17 11.948 3.648 -2.054 142 HA ALA 17 HA ALA 17 10.211 1.380 -1.975 143 1HB ALA 17 HB1 ALA 17 10.210 4.045 -2.846 144 2HB ALA 17 HB2 ALA 17 8.844 2.931 -2.903 145 3HB ALA 17 HB3 ALA 17 9.898 3.105 -4.305 146 H LEU 18 HN LEU 18 12.412 2.554 -4.547 147 HA LEU 18 HA LEU 18 11.913 0.472 -6.442 148 1HB LEU 18 HB2 LEU 18 13.847 2.608 -5.893 149 2HB LEU 18 HB1 LEU 18 14.579 1.228 -6.707 150 HG LEU 18 HG LEU 18 12.159 1.583 -8.048 151 1HD1 LEU 18 HD21 LEU 18 12.183 3.983 -8.665 152 2HD1 LEU 18 HD22 LEU 18 13.455 4.265 -7.476 153 3HD1 LEU 18 HD23 LEU 18 11.851 3.758 -6.947 154 1HD2 LEU 18 HD11 LEU 18 13.842 1.137 -9.512 155 2HD2 LEU 18 HD12 LEU 18 15.040 1.991 -8.539 156 3HD2 LEU 18 HD13 LEU 18 13.980 2.893 -9.622 157 H ASP 19 HN ASP 19 14.318 0.733 -3.813 158 HA ASP 19 HA ASP 19 15.565 -1.825 -4.172 159 1HB ASP 19 HB2 ASP 19 16.397 0.026 -2.750 160 2HB ASP 19 HB1 ASP 19 15.006 -0.178 -1.681 161 H LEU 20 HN LEU 20 12.736 -0.777 -2.262 162 HA LEU 20 HA LEU 20 12.101 -3.339 -1.124 163 1HB LEU 20 HB1 LEU 20 11.065 -1.560 -0.075 164 2HB LEU 20 HB2 LEU 20 10.866 -0.660 -1.578 165 HG LEU 20 HG LEU 20 9.066 -2.314 -2.229 166 1HD1 LEU 20 HD11 LEU 20 9.253 -4.239 -0.995 167 2HD1 LEU 20 HD12 LEU 20 8.149 -3.376 0.075 168 3HD1 LEU 20 HD13 LEU 20 9.878 -3.395 0.422 169 1HD2 LEU 20 HD21 LEU 20 8.928 -0.060 -0.682 170 2HD2 LEU 20 HD22 LEU 20 8.105 -1.235 0.343 171 3HD2 LEU 20 HD23 LEU 20 7.522 -0.932 -1.294 172 H LEU 21 HN LEU 21 10.960 -1.646 -4.046 173 HA LEU 21 HA LEU 21 8.965 -3.476 -4.821 174 1HB LEU 21 HB2 LEU 21 10.581 -1.316 -5.984 175 2HB LEU 21 HB1 LEU 21 10.057 -2.497 -7.184 176 HG LEU 21 HG LEU 21 7.718 -2.269 -6.092 177 1HD1 LEU 21 HD11 LEU 21 9.128 0.193 -5.016 178 2HD1 LEU 21 HD12 LEU 21 8.305 -1.060 -4.082 179 3HD1 LEU 21 HD13 LEU 21 7.378 0.032 -5.102 180 1HD2 LEU 21 HD21 LEU 21 8.796 0.183 -7.504 181 2HD2 LEU 21 HD22 LEU 21 7.160 -0.472 -7.582 182 3HD2 LEU 21 HD23 LEU 21 8.497 -1.346 -8.332 183 H GLU 22 HN GLU 22 12.386 -3.397 -5.847 184 HA GLU 22 HA GLU 22 12.394 -5.913 -7.259 185 1HB GLU 22 HB1 GLU 22 14.143 -4.174 -7.426 186 2HB GLU 22 HB2 GLU 22 14.554 -4.422 -5.728 187 1HG GLU 22 HG2 GLU 22 15.154 -6.768 -6.216 188 2HG GLU 22 HG1 GLU 22 14.743 -6.520 -7.913 189 H GLN 23 HN GLN 23 12.847 -4.984 -3.874 190 HA GLN 23 HA GLN 23 13.916 -7.385 -2.863 191 1HB GLN 23 HB2 GLN 23 13.751 -5.192 -1.708 192 2HB GLN 23 HB1 GLN 23 12.008 -5.413 -1.561 193 1HG GLN 23 HG1 GLN 23 12.307 -7.355 -0.155 194 2HG GLN 23 HG2 GLN 23 14.046 -7.358 -0.443 195 1HE2 GLN 23 HE21 GLN 23 13.260 -7.226 2.211 196 2HE2 GLN 23 HE22 GLN 23 13.503 -5.663 2.828 197 H ILE 24 HN ILE 24 10.522 -6.512 -3.480 198 HA ILE 24 HA ILE 24 9.259 -8.690 -2.123 199 HB ILE 24 HB ILE 24 8.489 -7.342 -4.733 200 1HG1 ILE 24 HG11 ILE 24 8.936 -5.639 -3.038 201 2HG1 ILE 24 HG12 ILE 24 7.202 -5.774 -3.293 202 1HG2 ILE 24 HG21 ILE 24 7.293 -9.479 -3.648 203 2HG2 ILE 24 HG22 ILE 24 6.373 -8.201 -4.440 204 3HG2 ILE 24 HG23 ILE 24 6.513 -8.227 -2.682 205 1HD1 ILE 24 HD11 ILE 24 6.922 -7.054 -1.282 206 2HD1 ILE 24 HD12 ILE 24 7.922 -5.663 -0.869 207 3HD1 ILE 24 HD13 ILE 24 8.664 -7.245 -1.091 208 H LYS 25 HN LYS 25 10.322 -8.397 -5.533 209 HA LYS 25 HA LYS 25 9.660 -11.056 -6.327 210 1HB LYS 25 HB2 LYS 25 11.750 -9.042 -7.208 211 2HB LYS 25 HB1 LYS 25 11.426 -10.535 -8.091 212 1HG LYS 25 HG1 LYS 25 9.062 -9.864 -8.356 213 2HG LYS 25 HG2 LYS 25 9.388 -8.373 -7.473 214 1HD LYS 25 HD2 LYS 25 11.028 -7.710 -9.199 215 2HD LYS 25 HD1 LYS 25 10.701 -9.202 -10.081 216 1HE LYS 25 HE1 LYS 25 8.542 -8.508 -10.706 217 2HE LYS 25 HE2 LYS 25 8.438 -7.330 -9.383 218 1HZ LYS 25 HZ1 LYS 25 9.968 -7.173 -11.899 219 2HZ LYS 25 HZ2 LYS 25 10.529 -6.342 -10.527 220 3HZ LYS 25 HZ3 LYS 25 8.995 -5.993 -11.168 221 H ASN 26 HN ASN 26 12.720 -9.686 -5.075 222 HA ASN 26 HA ASN 26 14.263 -12.095 -5.081 223 1HB ASN 26 HB2 ASN 26 14.889 -9.611 -4.656 224 2HB ASN 26 HB1 ASN 26 14.412 -9.921 -2.990 225 1HD2 ASN 26 HD21 ASN 26 16.297 -11.767 -5.469 226 2HD2 ASN 26 HD22 ASN 26 17.591 -12.118 -4.428 227 H GLY 27 HN GLY 27 12.445 -10.561 -2.419 228 1HA GLY 27 HA2 GLY 27 12.700 -13.087 -0.883 229 2HA GLY 27 HA1 GLY 27 12.352 -11.497 -0.204 230 H ALA 28 HN ALA 28 10.219 -10.583 -1.512 231 HA ALA 28 HA ALA 28 7.928 -10.865 -2.022 232 1HB ALA 28 HB1 ALA 28 7.356 -12.869 -2.950 233 2HB ALA 28 HB2 ALA 28 7.935 -13.785 -1.559 234 3HB ALA 28 HB3 ALA 28 9.075 -13.225 -2.782 235 H ASP 29 HN ASP 29 7.263 -9.831 -0.119 236 HA ASP 29 HA ASP 29 5.822 -11.407 1.817 237 1HB ASP 29 HB2 ASP 29 8.656 -11.113 2.116 238 2HB ASP 29 HB1 ASP 29 7.872 -10.217 3.420 239 H PHE 30 HN PHE 30 4.400 -9.620 1.000 240 HA PHE 30 HA PHE 30 4.971 -6.873 1.218 241 1HB PHE 30 HB1 PHE 30 2.542 -8.605 1.085 242 2HB PHE 30 HB2 PHE 30 2.305 -6.900 1.470 243 HD1 PHE 30 HD1 PHE 30 2.908 -9.288 -1.157 244 HD2 PHE 30 HD2 PHE 30 3.408 -5.156 -0.073 245 HE1 PHE 30 HE1 PHE 30 3.195 -8.695 -3.547 246 HE2 PHE 30 HE2 PHE 30 3.691 -4.565 -2.466 247 HZ PHE 30 HZ PHE 30 3.585 -6.334 -4.203 248 H GLY 31 HN GLY 31 3.176 -8.899 3.580 249 1HA GLY 31 HA1 GLY 31 2.686 -6.761 5.389 250 2HA GLY 31 HA2 GLY 31 2.625 -8.469 5.819 251 H LYS 32 HN LYS 32 5.211 -9.296 5.521 252 HA LYS 32 HA LYS 32 6.408 -8.346 7.935 253 1HB LYS 32 HB2 LYS 32 7.395 -9.991 5.588 254 2HB LYS 32 HB1 LYS 32 8.326 -9.781 7.071 255 1HG LYS 32 HG1 LYS 32 6.454 -10.719 8.381 256 2HG LYS 32 HG2 LYS 32 5.521 -10.929 6.899 257 1HD LYS 32 HD2 LYS 32 7.255 -12.455 6.024 258 2HD LYS 32 HD1 LYS 32 8.188 -12.245 7.506 259 1HE LYS 32 HE1 LYS 32 5.358 -13.037 7.916 260 2HE LYS 32 HE2 LYS 32 6.386 -14.264 7.153 261 1HZ LYS 32 HZ1 LYS 32 6.334 -13.785 9.796 262 2HZ LYS 32 HZ2 LYS 32 7.620 -12.783 9.322 263 3HZ LYS 32 HZ3 LYS 32 7.666 -14.447 8.983 264 H LEU 33 HN LEU 33 7.142 -7.649 4.509 265 HA LEU 33 HA LEU 33 9.465 -6.024 5.010 266 1HB LEU 33 HB2 LEU 33 7.439 -6.214 2.767 267 2HB LEU 33 HB1 LEU 33 8.886 -5.207 2.668 268 HG LEU 33 HG LEU 33 8.853 -8.200 3.173 269 1HD1 LEU 33 HD11 LEU 33 10.267 -7.713 0.856 270 2HD1 LEU 33 HD12 LEU 33 8.952 -6.541 0.746 271 3HD1 LEU 33 HD13 LEU 33 8.591 -8.259 0.919 272 1HD2 LEU 33 HD21 LEU 33 10.914 -7.828 4.016 273 2HD2 LEU 33 HD22 LEU 33 10.856 -6.126 3.561 274 3HD2 LEU 33 HD23 LEU 33 11.401 -7.330 2.395 275 H ALA 34 HN ALA 34 5.996 -5.255 4.697 276 HA ALA 34 HA ALA 34 6.197 -2.426 4.712 277 1HB ALA 34 HB1 ALA 34 4.182 -3.840 4.253 278 2HB ALA 34 HB2 ALA 34 3.856 -2.566 5.428 279 3HB ALA 34 HB3 ALA 34 4.100 -4.226 5.971 280 H LYS 35 HN LYS 35 5.680 -4.651 7.476 281 HA LYS 35 HA LYS 35 5.717 -2.668 9.510 282 1HB LYS 35 HB1 LYS 35 6.463 -5.602 9.433 283 2HB LYS 35 HB2 LYS 35 6.318 -4.687 10.933 284 1HG LYS 35 HG1 LYS 35 3.989 -4.103 10.353 285 2HG LYS 35 HG2 LYS 35 4.135 -5.019 8.853 286 1HD LYS 35 HD1 LYS 35 4.564 -7.076 10.149 287 2HD LYS 35 HD2 LYS 35 4.420 -6.159 11.649 288 1HE LYS 35 HE1 LYS 35 2.274 -7.238 11.212 289 2HE LYS 35 HE2 LYS 35 2.078 -5.502 10.905 290 1HZ LYS 35 HZ1 LYS 35 1.243 -6.912 9.062 291 2HZ LYS 35 HZ2 LYS 35 2.816 -7.513 8.837 292 3HZ LYS 35 HZ3 LYS 35 2.487 -5.866 8.578 293 H LYS 36 HN LYS 36 8.410 -4.660 8.230 294 HA LYS 36 HA LYS 36 10.374 -3.667 10.058 295 1HB LYS 36 HB2 LYS 36 10.554 -4.885 7.285 296 2HB LYS 36 HB1 LYS 36 11.927 -4.700 8.375 297 1HG LYS 36 HG1 LYS 36 10.778 -6.090 10.062 298 2HG LYS 36 HG2 LYS 36 9.403 -6.276 8.969 299 1HD LYS 36 HD1 LYS 36 10.869 -7.362 7.306 300 2HD LYS 36 HD2 LYS 36 12.244 -7.178 8.397 301 1HE LYS 36 HE2 LYS 36 11.054 -8.571 10.092 302 2HE LYS 36 HE1 LYS 36 9.734 -8.809 8.933 303 1HZ LYS 36 HZ1 LYS 36 11.620 -10.525 8.951 304 2HZ LYS 36 HZ2 LYS 36 12.552 -9.324 8.191 305 3HZ LYS 36 HZ3 LYS 36 11.139 -9.905 7.448 306 H HIS 37 HN HIS 37 9.696 -2.752 6.662 307 HA HIS 37 HA HIS 37 11.787 -0.764 6.564 308 1HB HIS 37 HB1 HIS 37 9.360 -1.423 4.877 309 2HB HIS 37 HB2 HIS 37 10.548 -0.205 4.410 310 HD1 HIS 37 HD1 HIS 37 9.975 -3.131 3.057 311 HD2 HIS 37 HD2 HIS 37 13.223 -2.024 5.425 312 HE1 HIS 37 HE1 HIS 37 11.849 -4.741 2.501 313 H SER 38 HN SER 38 8.230 -0.532 6.887 314 HA SER 38 HA SER 38 8.036 2.302 6.888 315 1HB SER 38 HB1 SER 38 6.195 0.615 6.681 316 2HB SER 38 HB2 SER 38 6.377 0.257 8.399 317 HG SER 38 HG SER 38 4.900 2.114 7.353 318 H ILE 39 HN ILE 39 8.380 0.019 9.614 319 HA ILE 39 HA ILE 39 8.764 0.468 11.920 320 HB ILE 39 HB ILE 39 10.919 0.476 10.510 321 1HG1 ILE 39 HG12 ILE 39 10.948 2.004 13.128 322 2HG1 ILE 39 HG11 ILE 39 10.816 0.250 12.995 323 1HG2 ILE 39 HG21 ILE 39 12.123 2.670 10.536 324 2HG2 ILE 39 HG22 ILE 39 10.634 3.443 11.072 325 3HG2 ILE 39 HG23 ILE 39 10.706 2.671 9.489 326 1HD1 ILE 39 HD11 ILE 39 12.981 0.690 11.414 327 2HD1 ILE 39 HD12 ILE 39 13.096 0.337 13.138 328 3HD1 ILE 39 HD13 ILE 39 13.167 2.006 12.574 329 H CYS 40 HN CYS 40 6.855 2.383 10.631 330 HA CYS 40 HA CYS 40 7.396 4.793 12.334 331 1HB CYS 40 HB1 CYS 40 6.438 6.095 10.566 332 2HB CYS 40 HB2 CYS 40 7.501 4.938 9.771 333 HG CYS 40 HG CYS 40 5.357 3.488 9.204 334 HA PRO 41 HA PRO 41 3.658 4.504 14.545 335 1HB PRO 41 HB2 PRO 41 2.415 6.740 13.019 336 2HB PRO 41 HB1 PRO 41 2.645 6.561 14.767 337 1HG PRO 41 HG1 PRO 41 4.159 8.195 13.243 338 2HG PRO 41 HG2 PRO 41 4.762 7.404 14.703 339 1HD PRO 41 HD1 PRO 41 5.385 6.859 11.878 340 2HD PRO 41 HD2 PRO 41 6.330 6.491 13.333 341 H SER 42 HN SER 42 3.313 4.912 11.054 342 HA SER 42 HA SER 42 0.790 3.322 11.085 343 1HB SER 42 HB2 SER 42 1.113 4.056 8.523 344 2HB SER 42 HB1 SER 42 0.427 5.153 9.722 345 HG SER 42 HG SER 42 2.792 5.286 8.380 346 H GLY 43 HN GLY 43 3.846 2.497 11.297 347 1HA GLY 43 HA1 GLY 43 4.151 0.712 8.997 348 2HA GLY 43 HA2 GLY 43 5.162 0.719 10.447 349 H LYS 44 HN LYS 44 3.642 0.153 12.500 350 HA LYS 44 HA LYS 44 2.894 -2.592 12.285 351 1HB LYS 44 HB2 LYS 44 3.545 -1.320 14.343 352 2HB LYS 44 HB1 LYS 44 1.990 -0.489 14.277 353 1HG LYS 44 HG1 LYS 44 1.744 -2.338 15.807 354 2HG LYS 44 HG2 LYS 44 0.882 -2.766 14.329 355 1HD LYS 44 HD1 LYS 44 2.761 -4.115 13.568 356 2HD LYS 44 HD2 LYS 44 3.733 -3.597 14.944 357 1HE LYS 44 HE2 LYS 44 2.628 -4.994 16.414 358 2HE LYS 44 HE1 LYS 44 1.086 -4.848 15.550 359 1HZ LYS 44 HZ1 LYS 44 3.323 -6.038 14.098 360 2HZ LYS 44 HZ2 LYS 44 1.670 -6.429 14.048 361 3HZ LYS 44 HZ3 LYS 44 2.639 -6.984 15.329 362 H ARG 45 HN ARG 45 0.932 0.397 12.154 363 HA ARG 45 HA ARG 45 -1.523 -1.231 11.809 364 1HB ARG 45 HB2 ARG 45 -1.716 0.492 13.409 365 2HB ARG 45 HB1 ARG 45 -0.830 1.644 12.412 366 1HG ARG 45 HG2 ARG 45 -3.166 2.243 12.317 367 2HG ARG 45 HG1 ARG 45 -2.729 1.542 10.759 368 1HD ARG 45 HD1 ARG 45 -3.740 -0.584 11.360 369 2HD ARG 45 HD2 ARG 45 -4.005 -0.034 13.025 370 HE ARG 45 HE ARG 45 -5.654 0.659 10.737 371 1HH1 ARG 45 HH11 ARG 45 -4.320 1.788 13.720 372 2HH1 ARG 45 HH12 ARG 45 -5.574 2.951 13.986 373 1HH2 ARG 45 HH21 ARG 45 -7.291 2.173 11.078 374 2HH2 ARG 45 HH22 ARG 45 -7.252 3.170 12.494 375 H GLY 46 HN GLY 46 0.345 1.262 10.075 376 1HA GLY 46 HA2 GLY 46 -1.464 1.417 7.837 377 2HA GLY 46 HA1 GLY 46 0.188 2.024 7.857 378 H GLY 47 HN GLY 47 1.282 -0.639 8.616 379 1HA GLY 47 HA2 GLY 47 1.641 -1.712 5.954 380 2HA GLY 47 HA1 GLY 47 2.228 -2.447 7.443 381 H ASP 48 HN ASP 48 -0.904 -1.972 8.099 382 HA ASP 48 HA ASP 48 -2.261 -3.984 6.531 383 1HB ASP 48 HB2 ASP 48 -0.619 -5.369 7.798 384 2HB ASP 48 HB1 ASP 48 -1.272 -4.732 9.309 385 H LEU 49 HN LEU 49 -3.451 -1.816 6.795 386 HA LEU 49 HA LEU 49 -4.449 -0.980 9.342 387 1HB LEU 49 HB1 LEU 49 -5.257 -0.460 6.465 388 2HB LEU 49 HB2 LEU 49 -5.988 0.391 7.827 389 HG LEU 49 HG LEU 49 -3.007 0.310 7.745 390 1HD1 LEU 49 HD11 LEU 49 -3.610 2.576 6.269 391 2HD1 LEU 49 HD12 LEU 49 -4.665 1.353 5.562 392 3HD1 LEU 49 HD13 LEU 49 -2.922 1.088 5.619 393 1HD2 LEU 49 HD21 LEU 49 -3.214 2.406 8.814 394 2HD2 LEU 49 HD22 LEU 49 -4.565 1.471 9.456 395 3HD2 LEU 49 HD23 LEU 49 -4.843 2.661 8.186 396 H GLY 50 HN GLY 50 -5.653 -3.282 6.977 397 1HA GLY 50 HA2 GLY 50 -7.193 -5.031 7.850 398 2HA GLY 50 HA1 GLY 50 -8.005 -3.757 8.760 399 H GLU 51 HN GLU 51 -10.014 -4.316 7.687 400 HA GLU 51 HA GLU 51 -10.118 -3.650 4.770 401 1HB GLU 51 HB2 GLU 51 -10.912 -5.878 5.688 402 2HB GLU 51 HB1 GLU 51 -12.170 -4.998 6.555 403 1HG GLU 51 HG2 GLU 51 -13.015 -4.100 4.411 404 2HG GLU 51 HG1 GLU 51 -11.757 -4.985 3.551 405 H PHE 52 HN PHE 52 -11.106 -1.729 4.194 406 HA PHE 52 HA PHE 52 -12.993 -0.496 6.167 407 1HB PHE 52 HB1 PHE 52 -11.949 1.716 5.264 408 2HB PHE 52 HB2 PHE 52 -11.053 0.786 6.461 409 HD1 PHE 52 HD1 PHE 52 -11.471 0.303 2.744 410 HD2 PHE 52 HD2 PHE 52 -8.782 1.049 6.015 411 HE1 PHE 52 HE1 PHE 52 -9.550 0.193 1.189 412 HE2 PHE 52 HE2 PHE 52 -6.859 0.935 4.455 413 HZ PHE 52 HZ PHE 52 -7.245 0.517 2.042 414 H ARG 53 HN ARG 53 -14.269 1.348 5.002 415 HA ARG 53 HA ARG 53 -15.042 0.360 2.279 416 1HB ARG 53 HB2 ARG 53 -17.258 1.327 2.856 417 2HB ARG 53 HB1 ARG 53 -16.746 0.123 4.039 418 1HG ARG 53 HG1 ARG 53 -16.097 1.804 5.606 419 2HG ARG 53 HG2 ARG 53 -16.225 3.082 4.397 420 1HD ARG 53 HD2 ARG 53 -18.730 2.334 4.231 421 2HD ARG 53 HD1 ARG 53 -18.430 1.588 5.811 422 HE ARG 53 HE ARG 53 -17.340 4.226 5.836 423 1HH1 ARG 53 HH11 ARG 53 -20.358 2.545 5.713 424 2HH1 ARG 53 HH12 ARG 53 -21.246 3.825 6.468 425 1HH2 ARG 53 HH21 ARG 53 -18.492 5.901 6.815 426 2HH2 ARG 53 HH22 ARG 53 -20.193 5.722 7.090 427 H GLN 54 HN GLN 54 -16.166 2.278 1.019 428 HA GLN 54 HA GLN 54 -14.114 4.064 0.303 429 1HB GLN 54 HB2 GLN 54 -15.897 5.117 -1.060 430 2HB GLN 54 HB1 GLN 54 -15.985 3.358 -1.123 431 1HG GLN 54 HG2 GLN 54 -17.713 3.432 0.689 432 2HG GLN 54 HG1 GLN 54 -17.684 5.193 0.592 433 1HE2 GLN 54 HE21 GLN 54 -19.746 5.572 -0.360 434 2HE2 GLN 54 HE22 GLN 54 -20.205 4.957 -1.874 435 H GLY 55 HN GLY 55 -16.211 4.322 3.001 436 1HA GLY 55 HA2 GLY 55 -16.109 7.266 3.125 437 2HA GLY 55 HA1 GLY 55 -16.820 6.206 4.340 438 H GLN 56 HN GLN 56 -13.536 6.110 2.955 439 HA GLN 56 HA GLN 56 -12.191 7.318 5.183 440 1HB GLN 56 HB2 GLN 56 -11.243 4.936 5.881 441 2HB GLN 56 HB1 GLN 56 -12.713 5.572 6.619 442 1HG GLN 56 HG1 GLN 56 -13.909 4.294 4.638 443 2HG GLN 56 HG2 GLN 56 -12.394 3.406 4.555 444 1HE2 GLN 56 HE21 GLN 56 -15.397 3.616 6.187 445 2HE2 GLN 56 HE22 GLN 56 -15.030 2.576 7.486 446 H MET 57 HN MET 57 -12.118 4.947 2.583 447 HA MET 57 HA MET 57 -9.518 4.243 2.416 448 1HB MET 57 HB2 MET 57 -11.447 5.058 0.228 449 2HB MET 57 HB1 MET 57 -9.935 4.226 -0.106 450 1HG MET 57 HG2 MET 57 -10.635 2.362 1.355 451 2HG MET 57 HG1 MET 57 -12.152 3.200 1.687 452 1HE MET 57 HE1 MET 57 -11.945 -0.020 -0.210 453 2HE MET 57 HE2 MET 57 -13.615 0.540 -0.165 454 3HE MET 57 HE3 MET 57 -12.565 0.810 1.223 455 H VAL 58 HN VAL 58 -7.570 5.126 1.731 456 HA VAL 58 HA VAL 58 -7.247 8.013 1.680 457 HB VAL 58 HB VAL 58 -5.571 6.466 2.578 458 1HG1 VAL 58 HG21 VAL 58 -5.105 4.531 1.531 459 2HG1 VAL 58 HG22 VAL 58 -4.532 5.406 0.111 460 3HG1 VAL 58 HG23 VAL 58 -6.238 4.986 0.259 461 1HG2 VAL 58 HG11 VAL 58 -5.035 8.550 0.796 462 2HG2 VAL 58 HG12 VAL 58 -3.986 7.234 0.268 463 3HG2 VAL 58 HG13 VAL 58 -3.898 7.821 1.928 464 HA PRO 59 HA PRO 59 -8.535 8.858 -2.414 465 1HB PRO 59 HB2 PRO 59 -6.396 10.746 -2.829 466 2HB PRO 59 HB1 PRO 59 -8.095 11.081 -2.459 467 1HG PRO 59 HG1 PRO 59 -5.764 11.053 -0.684 468 2HG PRO 59 HG2 PRO 59 -7.341 11.820 -0.463 469 1HD PRO 59 HD2 PRO 59 -6.533 9.642 0.949 470 2HD PRO 59 HD1 PRO 59 -8.237 9.972 0.564 471 H ALA 60 HN ALA 60 -4.994 8.584 -1.925 472 HA ALA 60 HA ALA 60 -4.276 8.004 -4.604 473 1HB ALA 60 HB1 ALA 60 -2.224 7.770 -3.633 474 2HB ALA 60 HB2 ALA 60 -2.809 6.568 -2.482 475 3HB ALA 60 HB3 ALA 60 -3.045 8.287 -2.160 476 H PHE 61 HN PHE 61 -5.384 5.861 -1.993 477 HA PHE 61 HA PHE 61 -5.102 3.351 -3.353 478 1HB PHE 61 HB2 PHE 61 -5.548 3.583 -0.956 479 2HB PHE 61 HB1 PHE 61 -7.093 4.364 -1.298 480 HD1 PHE 61 HD1 PHE 61 -5.243 1.174 -1.330 481 HD2 PHE 61 HD2 PHE 61 -8.994 3.103 -2.159 482 HE1 PHE 61 HE1 PHE 61 -6.351 -1.043 -1.482 483 HE2 PHE 61 HE2 PHE 61 -10.101 0.888 -2.310 484 HZ PHE 61 HZ PHE 61 -8.780 -1.186 -1.972 485 H ASP 62 HN ASP 62 -7.689 5.798 -3.349 486 HA ASP 62 HA ASP 62 -9.696 4.314 -4.680 487 1HB ASP 62 HB1 ASP 62 -9.976 6.496 -3.559 488 2HB ASP 62 HB2 ASP 62 -9.001 7.266 -4.812 489 H LYS 63 HN LYS 63 -7.117 6.369 -6.054 490 HA LYS 63 HA LYS 63 -7.819 6.061 -8.805 491 1HB LYS 63 HB1 LYS 63 -6.223 7.701 -7.858 492 2HB LYS 63 HB2 LYS 63 -5.116 6.388 -7.461 493 1HG LYS 63 HG1 LYS 63 -4.920 5.806 -9.837 494 2HG LYS 63 HG2 LYS 63 -6.079 7.069 -10.258 495 1HD LYS 63 HD2 LYS 63 -4.537 8.764 -9.278 496 2HD LYS 63 HD1 LYS 63 -3.368 7.484 -8.958 497 1HE LYS 63 HE1 LYS 63 -4.299 7.405 -11.725 498 2HE LYS 63 HE2 LYS 63 -3.556 8.964 -11.321 499 1HZ LYS 63 HZ1 LYS 63 -2.404 6.261 -11.201 500 2HZ LYS 63 HZ2 LYS 63 -1.868 7.421 -10.080 501 3HZ LYS 63 HZ3 LYS 63 -1.698 7.704 -11.747 502 H VAL 64 HN VAL 64 -5.575 4.154 -6.755 503 HA VAL 64 HA VAL 64 -4.881 2.376 -8.947 504 HB VAL 64 HB VAL 64 -3.373 3.007 -7.080 505 1HG1 VAL 64 HG21 VAL 64 -5.114 3.065 -5.305 506 2HG1 VAL 64 HG22 VAL 64 -3.740 2.062 -4.846 507 3HG1 VAL 64 HG23 VAL 64 -5.236 1.308 -5.391 508 1HG2 VAL 64 HG11 VAL 64 -3.609 0.137 -6.522 509 2HG2 VAL 64 HG12 VAL 64 -2.286 1.028 -7.276 510 3HG2 VAL 64 HG13 VAL 64 -3.667 0.511 -8.244 511 H VAL 65 HN VAL 65 -6.927 1.936 -6.005 512 HA VAL 65 HA VAL 65 -7.687 -0.770 -6.499 513 HB VAL 65 HB VAL 65 -8.208 0.814 -4.522 514 1HG1 VAL 65 HG21 VAL 65 -9.218 2.618 -5.844 515 2HG1 VAL 65 HG22 VAL 65 -10.388 1.974 -4.692 516 3HG1 VAL 65 HG23 VAL 65 -10.486 1.523 -6.394 517 1HG2 VAL 65 HG11 VAL 65 -9.867 -0.636 -3.829 518 2HG2 VAL 65 HG12 VAL 65 -9.252 -1.547 -5.208 519 3HG2 VAL 65 HG13 VAL 65 -10.713 -0.574 -5.375 520 H PHE 66 HN PHE 66 -8.493 2.223 -8.112 521 HA PHE 66 HA PHE 66 -10.604 0.917 -9.762 522 1HB PHE 66 HB1 PHE 66 -10.888 3.199 -8.774 523 2HB PHE 66 HB2 PHE 66 -9.502 3.746 -9.717 524 HD1 PHE 66 HD1 PHE 66 -9.642 4.041 -12.129 525 HD2 PHE 66 HD2 PHE 66 -13.001 2.579 -9.881 526 HE1 PHE 66 HE1 PHE 66 -11.118 4.423 -14.087 527 HE2 PHE 66 HE2 PHE 66 -14.478 2.961 -11.838 528 HZ PHE 66 HZ PHE 66 -13.536 3.883 -13.941 529 H SER 67 HN SER 67 -7.254 1.569 -9.782 530 HA SER 67 HA SER 67 -6.993 1.540 -12.724 531 1HB SER 67 HB1 SER 67 -5.683 3.021 -11.092 532 2HB SER 67 HB2 SER 67 -4.823 1.553 -10.624 533 HG SER 67 HG SER 67 -3.830 1.516 -12.488 534 H CYS 68 HN CYS 68 -5.463 -0.247 -10.021 535 HA CYS 68 HA CYS 68 -5.194 -2.624 -11.803 536 1HB CYS 68 HB2 CYS 68 -4.022 -1.908 -9.093 537 2HB CYS 68 HB1 CYS 68 -3.603 -3.344 -10.033 538 HG CYS 68 HG CYS 68 -1.875 -1.805 -10.980 539 HA PRO 69 HA PRO 69 -8.678 -4.466 -9.743 540 1HB PRO 69 HB1 PRO 69 -7.993 -7.085 -10.444 541 2HB PRO 69 HB2 PRO 69 -8.967 -5.982 -11.431 542 1HG PRO 69 HG2 PRO 69 -6.106 -6.715 -11.664 543 2HG PRO 69 HG1 PRO 69 -7.271 -6.290 -12.925 544 1HD PRO 69 HD2 PRO 69 -5.323 -4.601 -12.053 545 2HD PRO 69 HD1 PRO 69 -6.878 -4.042 -12.704 546 H VAL 70 HN VAL 70 -8.975 -5.979 -7.913 547 HA VAL 70 HA VAL 70 -6.958 -5.795 -5.913 548 HB VAL 70 HB VAL 70 -9.378 -6.073 -5.536 549 1HG1 VAL 70 HG11 VAL 70 -9.031 -8.200 -7.403 550 2HG1 VAL 70 HG12 VAL 70 -10.534 -7.600 -6.703 551 3HG1 VAL 70 HG13 VAL 70 -9.644 -8.894 -5.902 552 1HG2 VAL 70 HG21 VAL 70 -7.547 -6.985 -3.912 553 2HG2 VAL 70 HG22 VAL 70 -8.123 -8.569 -4.426 554 3HG2 VAL 70 HG23 VAL 70 -9.229 -7.441 -3.643 555 H LEU 71 HN LEU 71 -6.169 -7.983 -4.796 556 HA LEU 71 HA LEU 71 -4.416 -9.543 -4.988 557 1HB LEU 71 HB2 LEU 71 -6.164 -10.378 -7.328 558 2HB LEU 71 HB1 LEU 71 -4.892 -11.367 -6.610 559 HG LEU 71 HG LEU 71 -6.297 -10.758 -4.382 560 1HD1 LEU 71 HD21 LEU 71 -8.533 -10.368 -4.740 561 2HD1 LEU 71 HD22 LEU 71 -8.553 -11.271 -6.255 562 3HD1 LEU 71 HD23 LEU 71 -7.914 -9.628 -6.216 563 1HD2 LEU 71 HD11 LEU 71 -7.405 -12.958 -6.080 564 2HD2 LEU 71 HD12 LEU 71 -6.900 -12.993 -4.391 565 3HD2 LEU 71 HD13 LEU 71 -5.690 -13.011 -5.673 566 H GLU 72 HN GLU 72 -4.033 -6.982 -6.223 567 HA GLU 72 HA GLU 72 -1.887 -7.747 -8.107 568 1HB GLU 72 HB1 GLU 72 -4.084 -7.304 -9.357 569 2HB GLU 72 HB2 GLU 72 -3.922 -5.627 -8.837 570 1HG GLU 72 HG2 GLU 72 -2.526 -5.248 -10.557 571 2HG GLU 72 HG1 GLU 72 -1.399 -6.424 -9.879 572 HA PRO 73 HA PRO 73 -0.750 -4.605 -4.947 573 1HB PRO 73 HB2 PRO 73 1.966 -5.562 -5.616 574 2HB PRO 73 HB1 PRO 73 1.162 -5.473 -4.040 575 1HG PRO 73 HG1 PRO 73 1.626 -7.799 -5.343 576 2HG PRO 73 HG2 PRO 73 0.272 -7.558 -4.231 577 1HD PRO 73 HD1 PRO 73 0.284 -7.703 -7.193 578 2HD PRO 73 HD2 PRO 73 -0.990 -8.149 -6.040 579 H THR 74 HN THR 74 -0.488 -2.511 -5.638 580 HA THR 74 HA THR 74 1.106 -2.042 -8.138 581 HB THR 74 HB THR 74 -1.566 -0.915 -7.250 582 HG1 THR 74 HG1 THR 74 -0.763 -2.470 -9.482 583 1HG2 THR 74 HG21 THR 74 -0.373 0.882 -8.301 584 2HG2 THR 74 HG22 THR 74 -1.473 0.228 -9.515 585 3HG2 THR 74 HG23 THR 74 0.241 -0.184 -9.564 586 H GLY 75 HN GLY 75 2.532 -0.333 -8.012 587 1HA GLY 75 HA1 GLY 75 2.480 2.071 -6.766 588 2HA GLY 75 HA2 GLY 75 2.806 0.997 -5.407 589 HA PRO 76 HA PRO 76 3.984 2.198 -4.489 590 1HB PRO 76 HB1 PRO 76 5.978 3.960 -3.851 591 2HB PRO 76 HB2 PRO 76 6.037 2.233 -3.455 592 1HG PRO 76 HG2 PRO 76 7.536 3.744 -5.470 593 2HG PRO 76 HG1 PRO 76 7.899 2.174 -4.736 594 1HD PRO 76 HD1 PRO 76 6.770 2.701 -7.313 595 2HD PRO 76 HD2 PRO 76 7.115 1.129 -6.572 596 H LEU 77 HN LEU 77 2.541 3.877 -4.431 597 HA LEU 77 HA LEU 77 2.496 5.706 -6.738 598 1HB LEU 77 HB2 LEU 77 0.611 4.936 -4.502 599 2HB LEU 77 HB1 LEU 77 0.197 6.173 -5.686 600 HG LEU 77 HG LEU 77 1.033 3.342 -6.389 601 1HD1 LEU 77 HD11 LEU 77 -1.430 4.266 -5.341 602 2HD1 LEU 77 HD12 LEU 77 -1.096 2.692 -6.064 603 3HD1 LEU 77 HD13 LEU 77 -1.687 4.015 -7.068 604 1HD2 LEU 77 HD21 LEU 77 1.049 5.650 -7.927 605 2HD2 LEU 77 HD22 LEU 77 -0.510 4.924 -8.315 606 3HD2 LEU 77 HD23 LEU 77 0.975 4.004 -8.554 607 H HIS 78 HN HIS 78 1.426 7.994 -6.049 608 HA HIS 78 HA HIS 78 3.404 9.186 -4.166 609 1HB HIS 78 HB1 HIS 78 3.300 9.986 -6.491 610 2HB HIS 78 HB2 HIS 78 1.590 10.374 -6.289 611 HD1 HIS 78 HD1 HIS 78 1.305 12.819 -5.928 612 HD2 HIS 78 HD2 HIS 78 4.773 11.405 -4.099 613 HE1 HIS 78 HE1 HIS 78 2.351 14.800 -4.746 614 H THR 79 HN THR 79 2.721 9.841 -2.188 615 HA THR 79 HA THR 79 -0.073 10.831 -1.864 616 HB THR 79 HB THR 79 0.090 8.413 -1.224 617 HG1 THR 79 HG1 THR 79 -0.154 9.836 1.168 618 1HG2 THR 79 HG21 THR 79 2.347 9.513 0.381 619 2HG2 THR 79 HG22 THR 79 2.186 7.944 -0.405 620 3HG2 THR 79 HG23 THR 79 1.369 8.251 1.127 621 H GLN 80 HN GLN 80 -0.266 12.162 0.157 622 HA GLN 80 HA GLN 80 1.834 14.055 0.424 623 1HB GLN 80 HB1 GLN 80 -0.541 14.426 0.986 624 2HB GLN 80 HB2 GLN 80 -0.404 13.293 2.330 625 1HG GLN 80 HG2 GLN 80 1.306 14.738 3.375 626 2HG GLN 80 HG1 GLN 80 1.170 15.871 2.030 627 1HE2 GLN 80 HE21 GLN 80 -0.177 14.985 5.084 628 2HE2 GLN 80 HE22 GLN 80 -1.521 16.022 5.041 629 H PHE 81 HN PHE 81 1.036 11.211 2.421 630 HA PHE 81 HA PHE 81 2.987 11.745 4.470 631 1HB PHE 81 HB2 PHE 81 1.618 9.201 3.540 632 2HB PHE 81 HB1 PHE 81 2.465 9.384 5.077 633 HD1 PHE 81 HD1 PHE 81 -0.548 10.215 3.164 634 HD2 PHE 81 HD2 PHE 81 1.599 10.913 6.823 635 HE1 PHE 81 HE1 PHE 81 -2.585 11.216 4.169 636 HE2 PHE 81 HE2 PHE 81 -0.439 11.913 7.828 637 HZ PHE 81 HZ PHE 81 -2.531 12.065 6.501 638 H GLY 82 HN GLY 82 3.429 10.834 1.249 639 1HA GLY 82 HA2 GLY 82 5.985 10.758 0.798 640 2HA GLY 82 HA1 GLY 82 5.948 9.359 1.871 641 H TYR 83 HN TYR 83 6.360 7.681 0.452 642 HA TYR 83 HA TYR 83 4.866 7.566 -2.116 643 1HB TYR 83 HB1 TYR 83 7.189 6.074 -0.881 644 2HB TYR 83 HB2 TYR 83 6.452 5.565 -2.402 645 HD1 TYR 83 HD1 TYR 83 6.621 6.942 -4.416 646 HD2 TYR 83 HD2 TYR 83 8.412 8.192 -0.713 647 HE1 TYR 83 HE1 TYR 83 7.922 8.673 -5.629 648 HE2 TYR 83 HE2 TYR 83 9.714 9.922 -1.926 649 HH TYR 83 HH TYR 83 10.067 9.949 -5.270 650 H HIS 84 HN HIS 84 3.132 6.256 -2.352 651 HA HIS 84 HA HIS 84 2.446 4.362 -0.136 652 1HB HIS 84 HB2 HIS 84 0.914 6.115 -2.020 653 2HB HIS 84 HB1 HIS 84 0.162 4.601 -1.547 654 HD1 HIS 84 HD1 HIS 84 -1.262 6.967 -0.500 655 HD2 HIS 84 HD2 HIS 84 2.007 5.361 1.527 656 HE1 HIS 84 HE1 HIS 84 -1.465 7.733 1.905 657 H ILE 85 HN ILE 85 3.052 2.290 -0.665 658 HA ILE 85 HA ILE 85 2.356 1.353 -3.439 659 HB ILE 85 HB ILE 85 4.740 1.062 -2.456 660 1HG1 ILE 85 HG12 ILE 85 3.742 -1.642 -3.115 661 2HG1 ILE 85 HG11 ILE 85 3.303 -0.386 -4.270 662 1HG2 ILE 85 HG21 ILE 85 3.663 -1.379 -1.127 663 2HG2 ILE 85 HG22 ILE 85 3.504 0.154 -0.267 664 3HG2 ILE 85 HG23 ILE 85 5.099 -0.431 -0.742 665 1HD1 ILE 85 HD11 ILE 85 5.554 0.148 -4.727 666 2HD1 ILE 85 HD12 ILE 85 5.568 -1.612 -4.605 667 3HD1 ILE 85 HD13 ILE 85 6.129 -0.631 -3.250 668 H ILE 86 HN ILE 86 0.393 0.358 -3.473 669 HA ILE 86 HA ILE 86 -0.732 -0.516 -0.861 670 HB ILE 86 HB ILE 86 -1.994 0.280 -3.502 671 1HG1 ILE 86 HG11 ILE 86 -1.822 1.800 -0.885 672 2HG1 ILE 86 HG12 ILE 86 -0.735 2.068 -2.246 673 1HG2 ILE 86 HG21 ILE 86 -4.076 0.022 -2.524 674 2HG2 ILE 86 HG22 ILE 86 -3.453 0.249 -0.890 675 3HG2 ILE 86 HG23 ILE 86 -3.207 -1.286 -1.722 676 1HD1 ILE 86 HD11 ILE 86 -3.584 2.069 -2.985 677 2HD1 ILE 86 HD12 ILE 86 -2.308 3.204 -3.425 678 3HD1 ILE 86 HD13 ILE 86 -3.136 3.365 -1.877 679 H LYS 87 HN LYS 87 -1.229 -2.593 -0.504 680 HA LYS 87 HA LYS 87 -1.292 -4.548 -2.769 681 1HB LYS 87 HB2 LYS 87 0.236 -4.847 -0.761 682 2HB LYS 87 HB1 LYS 87 -1.210 -4.991 0.236 683 1HG LYS 87 HG2 LYS 87 -1.945 -6.924 -1.115 684 2HG LYS 87 HG1 LYS 87 -0.495 -6.780 -2.108 685 1HD LYS 87 HD2 LYS 87 0.862 -7.042 0.017 686 2HD LYS 87 HD1 LYS 87 -0.642 -7.435 0.846 687 1HE LYS 87 HE1 LYS 87 0.395 -8.932 -1.587 688 2HE LYS 87 HE2 LYS 87 0.590 -9.483 0.087 689 1HZ LYS 87 HZ1 LYS 87 -1.818 -9.322 -1.551 690 2HZ LYS 87 HZ2 LYS 87 -1.992 -8.859 0.074 691 3HZ LYS 87 HZ3 LYS 87 -1.425 -10.413 -0.312 692 H VAL 88 HN VAL 88 -3.347 -5.194 -3.392 693 HA VAL 88 HA VAL 88 -5.628 -4.426 -1.626 694 HB VAL 88 HB VAL 88 -5.572 -5.279 -4.542 695 1HG1 VAL 88 HG11 VAL 88 -7.818 -5.100 -4.428 696 2HG1 VAL 88 HG12 VAL 88 -7.680 -3.471 -3.770 697 3HG1 VAL 88 HG13 VAL 88 -7.679 -4.863 -2.687 698 1HG2 VAL 88 HG21 VAL 88 -4.253 -3.278 -4.404 699 2HG2 VAL 88 HG22 VAL 88 -5.357 -2.553 -3.236 700 3HG2 VAL 88 HG23 VAL 88 -5.861 -2.766 -4.913 701 H LEU 89 HN LEU 89 -6.980 -5.971 -0.774 702 HA LEU 89 HA LEU 89 -6.597 -8.805 -1.621 703 1HB LEU 89 HB2 LEU 89 -6.936 -7.638 1.155 704 2HB LEU 89 HB1 LEU 89 -6.795 -9.355 0.790 705 HG LEU 89 HG LEU 89 -4.686 -7.333 -0.009 706 1HD1 LEU 89 HD11 LEU 89 -5.261 -7.800 2.577 707 2HD1 LEU 89 HD12 LEU 89 -3.606 -7.590 2.007 708 3HD1 LEU 89 HD13 LEU 89 -4.251 -9.211 2.266 709 1HD2 LEU 89 HD21 LEU 89 -3.615 -9.107 -0.916 710 2HD2 LEU 89 HD22 LEU 89 -5.142 -9.976 -0.761 711 3HD2 LEU 89 HD23 LEU 89 -3.920 -10.106 0.505 712 H TYR 90 HN TYR 90 -8.599 -9.501 -2.379 713 HA TYR 90 HA TYR 90 -10.901 -9.970 -2.430 714 1HB TYR 90 HB2 TYR 90 -11.021 -8.356 0.138 715 2HB TYR 90 HB1 TYR 90 -12.172 -9.562 -0.422 716 HD1 TYR 90 HD1 TYR 90 -11.529 -11.965 -0.548 717 HD2 TYR 90 HD2 TYR 90 -8.955 -9.009 1.218 718 HE1 TYR 90 HE1 TYR 90 -10.222 -13.763 0.555 719 HE2 TYR 90 HE2 TYR 90 -7.648 -10.808 2.322 720 HH TYR 90 HH TYR 90 -8.485 -13.534 3.003 721 H ARG 91 HN ARG 91 -10.503 -6.652 -1.108 722 HA ARG 91 HA ARG 91 -11.376 -4.601 -1.902 723 1HB ARG 91 HB1 ARG 91 -9.957 -5.454 -3.814 724 2HB ARG 91 HB2 ARG 91 -11.429 -6.109 -4.528 725 1HG ARG 91 HG1 ARG 91 -12.417 -3.897 -4.663 726 2HG ARG 91 HG2 ARG 91 -11.065 -3.195 -3.776 727 1HD ARG 91 HD1 ARG 91 -10.748 -2.775 -6.171 728 2HD ARG 91 HD2 ARG 91 -9.540 -3.962 -5.643 729 HE ARG 91 HE ARG 91 -10.692 -5.611 -6.906 730 1HH1 ARG 91 HH11 ARG 91 -12.605 -2.774 -6.420 731 2HH1 ARG 91 HH12 ARG 91 -13.872 -3.292 -7.480 732 1HH2 ARG 91 HH21 ARG 91 -12.339 -6.294 -8.289 733 2HH2 ARG 91 HH22 ARG 91 -13.722 -5.281 -8.536 734 H ASN 92 HN ASN 92 -13.294 -6.494 -0.846 735 HA ASN 92 HA ASN 92 -15.731 -5.402 -2.060 736 1HB ASN 92 HB1 ASN 92 -15.131 -7.285 -3.551 737 2HB ASN 92 HB2 ASN 92 -15.098 -8.371 -2.161 738 1HD2 ASN 92 HD21 ASN 92 -17.342 -6.066 -3.805 739 2HD2 ASN 92 HD22 ASN 92 -18.742 -6.966 -3.474 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 -18.025 -8.164 -2.465 2 2H ALA 1 HT2 ALA 1 -18.447 -6.556 -2.814 3 3H ALA 1 HT3 ALA 1 -19.142 -7.350 -1.483 4 HA ALA 1 HA ALA 1 -16.629 -7.597 -0.761 5 1HB ALA 1 HB1 ALA 1 -16.831 -5.263 -2.688 6 2HB ALA 1 HB2 ALA 1 -15.754 -6.654 -2.801 7 3HB ALA 1 HB3 ALA 1 -15.503 -5.447 -1.541 8 H LYS 2 HN LYS 2 -18.122 -7.408 1.099 9 HA LYS 2 HA LYS 2 -19.534 -5.016 1.780 10 1HB LYS 2 HB2 LYS 2 -19.913 -7.261 2.746 11 2HB LYS 2 HB1 LYS 2 -18.329 -7.194 3.518 12 1HG LYS 2 HG1 LYS 2 -19.038 -5.204 4.800 13 2HG LYS 2 HG2 LYS 2 -20.623 -5.272 4.028 14 1HD LYS 2 HD2 LYS 2 -21.138 -7.369 5.065 15 2HD LYS 2 HD1 LYS 2 -19.472 -7.591 5.598 16 1HE LYS 2 HE1 LYS 2 -20.355 -6.759 7.573 17 2HE LYS 2 HE2 LYS 2 -20.008 -5.209 6.784 18 1HZ LYS 2 HZ1 LYS 2 -22.566 -6.729 6.703 19 2HZ LYS 2 HZ2 LYS 2 -22.246 -5.354 5.758 20 3HZ LYS 2 HZ3 LYS 2 -22.303 -5.230 7.451 21 H THR 3 HN THR 3 -16.246 -6.120 2.564 22 HA THR 3 HA THR 3 -15.575 -3.308 3.340 23 HB THR 3 HB THR 3 -14.378 -4.158 5.277 24 HG1 THR 3 HG1 THR 3 -14.221 -6.339 5.655 25 1HG2 THR 3 HG21 THR 3 -16.257 -5.221 6.528 26 2HG2 THR 3 HG22 THR 3 -17.123 -5.408 5.003 27 3HG2 THR 3 HG23 THR 3 -16.761 -3.796 5.619 28 H ALA 4 HN ALA 4 -13.190 -2.906 3.163 29 HA ALA 4 HA ALA 4 -12.058 -4.539 0.924 30 1HB ALA 4 HB1 ALA 4 -10.758 -2.372 0.569 31 2HB ALA 4 HB2 ALA 4 -11.749 -1.670 1.847 32 3HB ALA 4 HB3 ALA 4 -12.504 -2.245 0.361 33 H ALA 5 HN ALA 5 -10.166 -5.638 1.263 34 HA ALA 5 HA ALA 5 -8.721 -5.232 3.840 35 1HB ALA 5 HB1 ALA 5 -9.379 -7.431 2.038 36 2HB ALA 5 HB2 ALA 5 -8.843 -7.494 3.718 37 3HB ALA 5 HB3 ALA 5 -7.657 -7.401 2.416 38 H ALA 6 HN ALA 6 -6.885 -3.969 3.732 39 HA ALA 6 HA ALA 6 -5.349 -3.961 1.158 40 1HB ALA 6 HB1 ALA 6 -5.674 -1.702 0.902 41 2HB ALA 6 HB2 ALA 6 -5.718 -1.409 2.641 42 3HB ALA 6 HB3 ALA 6 -7.138 -2.056 1.819 43 H LEU 7 HN LEU 7 -3.195 -4.089 1.463 44 HA LEU 7 HA LEU 7 -2.039 -3.496 4.166 45 1HB LEU 7 HB1 LEU 7 -0.892 -4.867 1.705 46 2HB LEU 7 HB2 LEU 7 -0.060 -4.686 3.250 47 HG LEU 7 HG LEU 7 -2.670 -6.173 2.817 48 1HD1 LEU 7 HD11 LEU 7 -1.457 -8.080 2.590 49 2HD1 LEU 7 HD12 LEU 7 -0.309 -7.602 3.841 50 3HD1 LEU 7 HD13 LEU 7 -0.117 -7.007 2.191 51 1HD2 LEU 7 HD21 LEU 7 -0.962 -5.629 5.254 52 2HD2 LEU 7 HD22 LEU 7 -2.142 -6.940 5.199 53 3HD2 LEU 7 HD23 LEU 7 -2.673 -5.267 5.028 54 H HIS 8 HN HIS 8 -0.635 -1.694 4.322 55 HA HIS 8 HA HIS 8 -0.047 -0.258 1.755 56 1HB HIS 8 HB1 HIS 8 -1.245 0.830 4.324 57 2HB HIS 8 HB2 HIS 8 -0.636 1.850 3.021 58 HD1 HIS 8 HD1 HIS 8 -2.334 2.468 1.315 59 HD2 HIS 8 HD2 HIS 8 -3.302 -1.125 3.194 60 HE1 HIS 8 HE1 HIS 8 -4.555 1.731 0.350 61 H ILE 9 HN ILE 9 2.116 -0.059 1.606 62 HA ILE 9 HA ILE 9 3.701 0.389 4.109 63 HB ILE 9 HB ILE 9 4.504 -0.494 1.321 64 1HG1 ILE 9 HG11 ILE 9 4.500 -2.042 3.920 65 2HG1 ILE 9 HG12 ILE 9 3.202 -2.135 2.729 66 1HG2 ILE 9 HG21 ILE 9 6.720 -0.608 2.059 67 2HG2 ILE 9 HG22 ILE 9 6.254 -0.607 3.760 68 3HG2 ILE 9 HG23 ILE 9 6.152 0.881 2.817 69 1HD1 ILE 9 HD11 ILE 9 5.440 -3.739 2.737 70 2HD1 ILE 9 HD12 ILE 9 5.893 -2.481 1.585 71 3HD1 ILE 9 HD13 ILE 9 4.428 -3.430 1.325 72 H LEU 10 HN LEU 10 4.396 2.444 4.417 73 HA LEU 10 HA LEU 10 4.198 4.386 2.167 74 1HB LEU 10 HB2 LEU 10 3.111 4.557 4.544 75 2HB LEU 10 HB1 LEU 10 4.735 5.002 5.071 76 HG LEU 10 HG LEU 10 2.937 6.442 3.118 77 1HD1 LEU 10 HD11 LEU 10 2.876 8.083 4.704 78 2HD1 LEU 10 HD12 LEU 10 4.561 7.839 5.163 79 3HD1 LEU 10 HD13 LEU 10 3.312 6.765 5.791 80 1HD2 LEU 10 HD21 LEU 10 5.936 6.677 3.456 81 2HD2 LEU 10 HD22 LEU 10 4.950 7.953 2.742 82 3HD2 LEU 10 HD23 LEU 10 5.041 6.370 1.968 83 H VAL 11 HN VAL 11 6.114 4.769 1.122 84 HA VAL 11 HA VAL 11 8.661 4.562 2.688 85 HB VAL 11 HB VAL 11 8.466 4.732 -0.311 86 1HG1 VAL 11 HG21 VAL 11 10.409 2.998 0.145 87 2HG1 VAL 11 HG22 VAL 11 10.390 3.726 1.752 88 3HG1 VAL 11 HG23 VAL 11 10.696 4.728 0.334 89 1HG2 VAL 11 HG11 VAL 11 6.851 2.985 0.329 90 2HG2 VAL 11 HG12 VAL 11 8.067 2.226 1.357 91 3HG2 VAL 11 HG13 VAL 11 8.286 2.258 -0.392 92 H LYS 12 HN LYS 12 9.611 6.476 3.173 93 HA LYS 12 HA LYS 12 8.537 9.010 2.335 94 1HB LYS 12 HB1 LYS 12 11.177 8.230 3.619 95 2HB LYS 12 HB2 LYS 12 10.499 9.859 3.599 96 1HG LYS 12 HG2 LYS 12 9.070 7.456 4.772 97 2HG LYS 12 HG1 LYS 12 10.040 8.578 5.726 98 1HD LYS 12 HD2 LYS 12 8.592 10.440 5.033 99 2HD LYS 12 HD1 LYS 12 7.639 9.343 4.035 100 1HE LYS 12 HE1 LYS 12 6.341 8.984 5.867 101 2HE LYS 12 HE2 LYS 12 7.723 8.136 6.584 102 1HZ LYS 12 HZ1 LYS 12 8.486 10.652 6.916 103 2HZ LYS 12 HZ2 LYS 12 7.566 9.822 8.078 104 3HZ LYS 12 HZ3 LYS 12 6.807 10.880 6.986 105 H GLU 13 HN GLU 13 11.388 7.125 1.329 106 HA GLU 13 HA GLU 13 11.919 9.162 -0.802 107 1HB GLU 13 HB1 GLU 13 13.610 7.093 0.623 108 2HB GLU 13 HB2 GLU 13 14.191 8.014 -0.765 109 1HG GLU 13 HG1 GLU 13 13.914 10.094 0.401 110 2HG GLU 13 HG2 GLU 13 13.056 9.307 1.724 111 H GLU 14 HN GLU 14 11.857 8.528 -2.937 112 HA GLU 14 HA GLU 14 10.562 6.126 -3.786 113 1HB GLU 14 HB2 GLU 14 10.746 8.224 -5.083 114 2HB GLU 14 HB1 GLU 14 12.489 7.990 -5.215 115 1HG GLU 14 HG1 GLU 14 12.113 5.868 -6.421 116 2HG GLU 14 HG2 GLU 14 10.369 6.105 -6.287 117 H LYS 15 HN LYS 15 14.015 7.010 -3.568 118 HA LYS 15 HA LYS 15 15.141 4.719 -4.779 119 1HB LYS 15 HB1 LYS 15 16.034 6.528 -2.518 120 2HB LYS 15 HB2 LYS 15 17.097 5.335 -3.266 121 1HG LYS 15 HG2 LYS 15 16.736 6.396 -5.467 122 2HG LYS 15 HG1 LYS 15 15.675 7.588 -4.719 123 1HD LYS 15 HD2 LYS 15 17.540 8.361 -3.300 124 2HD LYS 15 HD1 LYS 15 18.603 7.168 -4.048 125 1HE LYS 15 HE1 LYS 15 18.148 8.249 -6.277 126 2HE LYS 15 HE2 LYS 15 17.250 9.517 -5.421 127 1HZ LYS 15 HZ1 LYS 15 19.856 9.676 -5.827 128 2HZ LYS 15 HZ2 LYS 15 19.883 8.784 -4.381 129 3HZ LYS 15 HZ3 LYS 15 19.126 10.304 -4.429 130 H LEU 16 HN LEU 16 14.114 5.228 -1.395 131 HA LEU 16 HA LEU 16 14.887 2.572 -0.492 132 1HB LEU 16 HB2 LEU 16 14.361 4.745 0.827 133 2HB LEU 16 HB1 LEU 16 12.667 4.299 0.613 134 HG LEU 16 HG LEU 16 14.722 2.393 1.753 135 1HD1 LEU 16 HD11 LEU 16 12.845 4.272 3.219 136 2HD1 LEU 16 HD12 LEU 16 14.606 4.369 3.204 137 3HD1 LEU 16 HD13 LEU 16 13.806 3.002 3.977 138 1HD2 LEU 16 HD21 LEU 16 12.220 1.817 2.776 139 2HD2 LEU 16 HD22 LEU 16 12.970 0.997 1.406 140 3HD2 LEU 16 HD23 LEU 16 11.854 2.333 1.130 141 H ALA 17 HN ALA 17 11.918 4.047 -1.783 142 HA ALA 17 HA ALA 17 10.191 1.768 -1.591 143 1HB ALA 17 HB1 ALA 17 8.785 3.101 -2.868 144 2HB ALA 17 HB2 ALA 17 10.093 3.658 -3.910 145 3HB ALA 17 HB3 ALA 17 9.909 4.331 -2.291 146 H LEU 18 HN LEU 18 12.509 2.812 -4.099 147 HA LEU 18 HA LEU 18 11.998 0.735 -6.006 148 1HB LEU 18 HB2 LEU 18 14.110 2.695 -5.323 149 2HB LEU 18 HB1 LEU 18 14.665 1.289 -6.231 150 HG LEU 18 HG LEU 18 12.152 2.345 -7.278 151 1HD1 LEU 18 HD21 LEU 18 14.492 4.144 -7.787 152 2HD1 LEU 18 HD22 LEU 18 13.545 4.393 -6.320 153 3HD1 LEU 18 HD23 LEU 18 12.768 4.494 -7.900 154 1HD2 LEU 18 HD11 LEU 18 14.853 1.498 -8.244 155 2HD2 LEU 18 HD12 LEU 18 13.861 2.485 -9.317 156 3HD2 LEU 18 HD13 LEU 18 13.258 0.931 -8.740 157 H ASP 19 HN ASP 19 14.165 0.907 -3.184 158 HA ASP 19 HA ASP 19 15.399 -1.655 -3.464 159 1HB ASP 19 HB2 ASP 19 16.131 0.143 -1.943 160 2HB ASP 19 HB1 ASP 19 14.649 -0.038 -1.007 161 H LEU 20 HN LEU 20 12.411 -0.661 -1.747 162 HA LEU 20 HA LEU 20 11.756 -3.281 -0.763 163 1HB LEU 20 HB1 LEU 20 10.113 -2.059 0.220 164 2HB LEU 20 HB2 LEU 20 10.835 -0.655 -0.554 165 HG LEU 20 HG LEU 20 9.350 -1.129 -2.562 166 1HD1 LEU 20 HD11 LEU 20 7.231 -2.481 -1.462 167 2HD1 LEU 20 HD12 LEU 20 8.601 -3.347 -0.766 168 3HD1 LEU 20 HD13 LEU 20 8.438 -3.215 -2.517 169 1HD2 LEU 20 HD21 LEU 20 8.382 -0.315 0.149 170 2HD2 LEU 20 HD22 LEU 20 7.207 -0.466 -1.159 171 3HD2 LEU 20 HD23 LEU 20 8.561 0.653 -1.315 172 H LEU 21 HN LEU 21 10.827 -1.521 -3.712 173 HA LEU 21 HA LEU 21 9.010 -3.379 -4.808 174 1HB LEU 21 HB2 LEU 21 10.917 -1.296 -5.813 175 2HB LEU 21 HB1 LEU 21 10.136 -2.343 -6.999 176 HG LEU 21 HG LEU 21 8.154 -1.506 -5.113 177 1HD1 LEU 21 HD11 LEU 21 8.657 1.012 -6.272 178 2HD1 LEU 21 HD12 LEU 21 10.200 0.488 -5.604 179 3HD1 LEU 21 HD13 LEU 21 8.781 0.592 -4.564 180 1HD2 LEU 21 HD21 LEU 21 7.208 -1.843 -7.153 181 2HD2 LEU 21 HD22 LEU 21 8.705 -1.464 -8.006 182 3HD2 LEU 21 HD23 LEU 21 7.649 -0.162 -7.459 183 H GLU 22 HN GLU 22 12.543 -3.151 -5.309 184 HA GLU 22 HA GLU 22 12.861 -5.553 -6.849 185 1HB GLU 22 HB1 GLU 22 14.650 -3.969 -4.982 186 2HB GLU 22 HB2 GLU 22 15.238 -5.290 -5.991 187 1HG GLU 22 HG2 GLU 22 13.846 -2.788 -6.997 188 2HG GLU 22 HG1 GLU 22 15.577 -3.110 -7.103 189 H GLN 23 HN GLN 23 12.930 -4.901 -3.352 190 HA GLN 23 HA GLN 23 13.925 -7.380 -2.457 191 1HB GLN 23 HB2 GLN 23 13.666 -5.339 -1.107 192 2HB GLN 23 HB1 GLN 23 11.912 -5.491 -1.199 193 1HG GLN 23 HG1 GLN 23 12.791 -6.386 0.939 194 2HG GLN 23 HG2 GLN 23 12.021 -7.647 -0.023 195 1HE2 GLN 23 HE21 GLN 23 13.247 -9.521 0.260 196 2HE2 GLN 23 HE22 GLN 23 14.941 -9.594 0.176 197 H ILE 24 HN ILE 24 10.544 -6.441 -3.128 198 HA ILE 24 HA ILE 24 9.307 -8.747 -2.022 199 HB ILE 24 HB ILE 24 8.545 -6.921 -4.323 200 1HG1 ILE 24 HG11 ILE 24 7.634 -6.912 -1.433 201 2HG1 ILE 24 HG12 ILE 24 8.960 -5.916 -2.032 202 1HG2 ILE 24 HG21 ILE 24 6.577 -8.461 -2.655 203 2HG2 ILE 24 HG22 ILE 24 7.361 -9.260 -4.019 204 3HG2 ILE 24 HG23 ILE 24 6.389 -7.812 -4.285 205 1HD1 ILE 24 HD11 ILE 24 7.547 -4.625 -3.385 206 2HD1 ILE 24 HD12 ILE 24 6.546 -4.904 -1.960 207 3HD1 ILE 24 HD13 ILE 24 6.290 -5.861 -3.418 208 H LYS 25 HN LYS 25 10.545 -8.152 -5.324 209 HA LYS 25 HA LYS 25 9.734 -10.682 -6.434 210 1HB LYS 25 HB2 LYS 25 10.326 -8.802 -7.824 211 2HB LYS 25 HB1 LYS 25 11.902 -8.653 -7.046 212 1HG LYS 25 HG1 LYS 25 12.541 -10.858 -7.914 213 2HG LYS 25 HG2 LYS 25 10.969 -11.019 -8.696 214 1HD LYS 25 HD2 LYS 25 11.456 -8.953 -10.011 215 2HD LYS 25 HD1 LYS 25 13.060 -8.898 -9.280 216 1HE LYS 25 HE1 LYS 25 13.749 -10.893 -10.373 217 2HE LYS 25 HE2 LYS 25 12.080 -11.355 -10.754 218 1HZ LYS 25 HZ1 LYS 25 13.616 -10.091 -12.493 219 2HZ LYS 25 HZ2 LYS 25 12.998 -8.737 -11.675 220 3HZ LYS 25 HZ3 LYS 25 11.942 -9.837 -12.424 221 H ASN 26 HN ASN 26 12.970 -9.562 -5.351 222 HA ASN 26 HA ASN 26 14.234 -12.119 -5.382 223 1HB ASN 26 HB2 ASN 26 14.682 -9.548 -3.850 224 2HB ASN 26 HB1 ASN 26 15.804 -10.906 -3.769 225 1HD2 ASN 26 HD21 ASN 26 15.730 -11.792 -6.463 226 2HD2 ASN 26 HD22 ASN 26 16.357 -10.572 -7.465 227 H GLY 27 HN GLY 27 12.473 -10.416 -2.785 228 1HA GLY 27 HA2 GLY 27 12.879 -12.788 -1.032 229 2HA GLY 27 HA1 GLY 27 12.400 -11.184 -0.476 230 H ALA 28 HN ALA 28 10.235 -10.457 -1.631 231 HA ALA 28 HA ALA 28 7.971 -10.876 -2.186 232 1HB ALA 28 HB1 ALA 28 7.350 -13.024 -2.910 233 2HB ALA 28 HB2 ALA 28 8.450 -13.821 -1.785 234 3HB ALA 28 HB3 ALA 28 9.087 -13.010 -3.216 235 H ASP 29 HN ASP 29 7.318 -9.895 -0.244 236 HA ASP 29 HA ASP 29 5.908 -11.528 1.648 237 1HB ASP 29 HB2 ASP 29 8.767 -11.168 1.955 238 2HB ASP 29 HB1 ASP 29 7.911 -10.509 3.352 239 H PHE 30 HN PHE 30 4.537 -9.661 0.869 240 HA PHE 30 HA PHE 30 5.163 -6.943 1.297 241 1HB PHE 30 HB1 PHE 30 3.262 -8.178 0.019 242 2HB PHE 30 HB2 PHE 30 2.391 -8.103 1.552 243 HD1 PHE 30 HD1 PHE 30 3.772 -6.148 -1.246 244 HD2 PHE 30 HD2 PHE 30 1.703 -5.951 2.518 245 HE1 PHE 30 HE1 PHE 30 3.142 -3.796 -1.717 246 HE2 PHE 30 HE2 PHE 30 1.074 -3.596 2.047 247 HZ PHE 30 HZ PHE 30 1.794 -2.520 -0.070 248 H GLY 31 HN GLY 31 3.545 -9.257 3.488 249 1HA GLY 31 HA1 GLY 31 2.824 -7.324 5.467 250 2HA GLY 31 HA2 GLY 31 2.962 -9.057 5.753 251 H LYS 32 HN LYS 32 5.574 -9.629 5.438 252 HA LYS 32 HA LYS 32 6.790 -8.639 7.832 253 1HB LYS 32 HB2 LYS 32 7.270 -10.816 6.836 254 2HB LYS 32 HB1 LYS 32 7.898 -10.045 5.380 255 1HG LYS 32 HG1 LYS 32 9.688 -8.988 6.717 256 2HG LYS 32 HG2 LYS 32 9.060 -9.768 8.170 257 1HD LYS 32 HD2 LYS 32 9.568 -11.955 7.314 258 2HD LYS 32 HD1 LYS 32 9.923 -11.311 5.711 259 1HE LYS 32 HE1 LYS 32 11.872 -10.098 6.611 260 2HE LYS 32 HE2 LYS 32 11.505 -10.700 8.237 261 1HZ LYS 32 HZ1 LYS 32 12.545 -12.130 5.912 262 2HZ LYS 32 HZ2 LYS 32 11.415 -12.964 6.867 263 3HZ LYS 32 HZ3 LYS 32 12.853 -12.383 7.560 264 H LEU 33 HN LEU 33 7.321 -7.814 4.402 265 HA LEU 33 HA LEU 33 9.535 -6.040 4.824 266 1HB LEU 33 HB2 LEU 33 7.402 -6.314 2.686 267 2HB LEU 33 HB1 LEU 33 8.784 -5.228 2.527 268 HG LEU 33 HG LEU 33 9.049 -8.197 3.084 269 1HD1 LEU 33 HD11 LEU 33 9.045 -6.648 0.485 270 2HD1 LEU 33 HD12 LEU 33 8.065 -8.051 0.913 271 3HD1 LEU 33 HD13 LEU 33 9.797 -8.236 0.639 272 1HD2 LEU 33 HD21 LEU 33 11.383 -7.722 2.236 273 2HD2 LEU 33 HD22 LEU 33 10.993 -6.948 3.772 274 3HD2 LEU 33 HD23 LEU 33 10.981 -6.006 2.280 275 H ALA 34 HN ALA 34 6.021 -5.514 4.682 276 HA ALA 34 HA ALA 34 5.998 -2.670 4.842 277 1HB ALA 34 HB1 ALA 34 4.125 -4.345 4.360 278 2HB ALA 34 HB2 ALA 34 3.694 -3.007 5.425 279 3HB ALA 34 HB3 ALA 34 4.033 -4.600 6.103 280 H LYS 35 HN LYS 35 5.814 -5.127 7.443 281 HA LYS 35 HA LYS 35 5.541 -3.343 9.612 282 1HB LYS 35 HB1 LYS 35 6.869 -6.060 9.361 283 2HB LYS 35 HB2 LYS 35 6.443 -5.312 10.900 284 1HG LYS 35 HG1 LYS 35 4.076 -5.218 10.200 285 2HG LYS 35 HG2 LYS 35 4.502 -5.965 8.660 286 1HD LYS 35 HD1 LYS 35 5.327 -7.962 9.858 287 2HD LYS 35 HD2 LYS 35 4.901 -7.215 11.397 288 1HE LYS 35 HE1 LYS 35 2.609 -7.470 11.037 289 2HE LYS 35 HE2 LYS 35 2.786 -7.463 9.271 290 1HZ LYS 35 HZ1 LYS 35 2.656 -9.694 9.540 291 2HZ LYS 35 HZ2 LYS 35 3.142 -9.645 11.168 292 3HZ LYS 35 HZ3 LYS 35 4.301 -9.556 9.929 293 H LYS 36 HN LYS 36 8.544 -4.745 8.241 294 HA LYS 36 HA LYS 36 10.301 -3.487 10.134 295 1HB LYS 36 HB2 LYS 36 10.655 -4.623 7.349 296 2HB LYS 36 HB1 LYS 36 12.007 -4.141 8.375 297 1HG LYS 36 HG1 LYS 36 11.250 -5.720 10.114 298 2HG LYS 36 HG2 LYS 36 9.898 -6.203 9.088 299 1HD LYS 36 HD1 LYS 36 11.487 -6.972 7.359 300 2HD LYS 36 HD2 LYS 36 12.836 -6.488 8.386 301 1HE LYS 36 HE2 LYS 36 11.400 -8.064 10.113 302 2HE LYS 36 HE1 LYS 36 11.112 -8.879 8.564 303 1HZ LYS 36 HZ1 LYS 36 13.430 -8.968 8.138 304 2HZ LYS 36 HZ2 LYS 36 13.229 -9.524 9.731 305 3HZ LYS 36 HZ3 LYS 36 13.792 -7.947 9.444 306 H HIS 37 HN HIS 37 9.582 -2.643 6.720 307 HA HIS 37 HA HIS 37 11.314 -0.367 6.688 308 1HB HIS 37 HB1 HIS 37 8.980 -1.276 4.990 309 2HB HIS 37 HB2 HIS 37 9.994 0.102 4.561 310 HD1 HIS 37 HD1 HIS 37 9.911 -2.567 2.873 311 HD2 HIS 37 HD2 HIS 37 12.785 -1.636 5.745 312 HE1 HIS 37 HE1 HIS 37 11.957 -3.953 2.315 313 H SER 38 HN SER 38 7.795 -0.630 7.230 314 HA SER 38 HA SER 38 7.160 2.112 7.062 315 1HB SER 38 HB1 SER 38 5.645 0.087 7.201 316 2HB SER 38 HB2 SER 38 5.955 0.055 8.936 317 HG SER 38 HG SER 38 5.069 2.394 7.643 318 H ILE 39 HN ILE 39 8.107 0.213 9.946 319 HA ILE 39 HA ILE 39 8.655 0.973 12.136 320 HB ILE 39 HB ILE 39 10.645 1.203 10.600 321 1HG1 ILE 39 HG12 ILE 39 10.549 3.335 12.748 322 2HG1 ILE 39 HG11 ILE 39 10.691 1.613 13.101 323 1HG2 ILE 39 HG21 ILE 39 9.503 3.983 10.389 324 2HG2 ILE 39 HG22 ILE 39 10.094 2.930 9.104 325 3HG2 ILE 39 HG23 ILE 39 11.235 3.710 10.200 326 1HD1 ILE 39 HD11 ILE 39 12.929 2.433 13.063 327 2HD1 ILE 39 HD12 ILE 39 12.638 3.372 11.598 328 3HD1 ILE 39 HD13 ILE 39 12.708 1.611 11.518 329 H CYS 40 HN CYS 40 6.235 2.270 11.063 330 HA CYS 40 HA CYS 40 6.467 4.934 12.427 331 1HB CYS 40 HB1 CYS 40 5.094 5.838 10.672 332 2HB CYS 40 HB2 CYS 40 6.311 4.848 9.868 333 HG CYS 40 HG CYS 40 4.036 4.119 8.863 334 HA PRO 41 HA PRO 41 3.071 4.020 15.047 335 1HB PRO 41 HB2 PRO 41 1.192 5.945 14.091 336 2HB PRO 41 HB1 PRO 41 2.280 6.107 15.479 337 1HG PRO 41 HG1 PRO 41 2.545 7.161 12.742 338 2HG PRO 41 HG2 PRO 41 3.240 7.757 14.255 339 1HD PRO 41 HD1 PRO 41 4.709 6.517 12.348 340 2HD PRO 41 HD2 PRO 41 5.099 6.414 14.077 341 H SER 42 HN SER 42 2.346 4.504 11.611 342 HA SER 42 HA SER 42 0.015 2.666 11.768 343 1HB SER 42 HB2 SER 42 0.340 3.290 9.141 344 2HB SER 42 HB1 SER 42 -0.541 4.316 10.275 345 HG SER 42 HG SER 42 1.174 5.626 10.453 346 H GLY 43 HN GLY 43 3.228 2.157 11.798 347 1HA GLY 43 HA1 GLY 43 3.769 0.424 9.609 348 2HA GLY 43 HA2 GLY 43 4.523 0.286 11.201 349 H LYS 44 HN LYS 44 2.570 -0.388 12.875 350 HA LYS 44 HA LYS 44 1.874 -3.116 12.324 351 1HB LYS 44 HB2 LYS 44 2.135 -2.056 14.556 352 2HB LYS 44 HB1 LYS 44 0.688 -1.095 14.253 353 1HG LYS 44 HG1 LYS 44 -0.645 -3.160 14.038 354 2HG LYS 44 HG2 LYS 44 0.802 -4.126 14.333 355 1HD LYS 44 HD1 LYS 44 1.050 -3.075 16.554 356 2HD LYS 44 HD2 LYS 44 -0.395 -2.110 16.260 357 1HE LYS 44 HE2 LYS 44 -0.522 -5.117 16.037 358 2HE LYS 44 HE1 LYS 44 -0.659 -4.326 17.619 359 1HZ LYS 44 HZ1 LYS 44 -2.186 -3.301 15.313 360 2HZ LYS 44 HZ2 LYS 44 -2.529 -3.160 16.972 361 3HZ LYS 44 HZ3 LYS 44 -2.777 -4.638 16.174 362 H ARG 45 HN ARG 45 0.039 -0.068 12.021 363 HA ARG 45 HA ARG 45 -2.369 -1.541 11.201 364 1HB ARG 45 HB2 ARG 45 -2.995 0.129 12.620 365 2HB ARG 45 HB1 ARG 45 -1.565 1.095 12.279 366 1HG ARG 45 HG2 ARG 45 -2.646 2.330 10.707 367 2HG ARG 45 HG1 ARG 45 -3.462 0.923 10.035 368 1HD ARG 45 HD1 ARG 45 -5.344 1.352 11.221 369 2HD ARG 45 HD2 ARG 45 -4.421 1.535 12.723 370 HE ARG 45 HE ARG 45 -3.821 3.811 11.201 371 1HH1 ARG 45 HH11 ARG 45 -6.633 2.266 12.486 372 2HH1 ARG 45 HH12 ARG 45 -7.505 3.747 12.699 373 1HH2 ARG 45 HH21 ARG 45 -4.950 5.745 11.479 374 2HH2 ARG 45 HH22 ARG 45 -6.555 5.712 12.130 375 H GLY 46 HN GLY 46 -0.836 1.412 9.802 376 1HA GLY 46 HA2 GLY 46 -1.993 1.174 7.255 377 2HA GLY 46 HA1 GLY 46 -0.456 1.983 7.557 378 H GLY 47 HN GLY 47 0.967 -0.336 8.511 379 1HA GLY 47 HA2 GLY 47 1.706 -1.570 5.989 380 2HA GLY 47 HA1 GLY 47 2.315 -2.031 7.576 381 H ASP 48 HN ASP 48 -0.890 -2.060 8.033 382 HA ASP 48 HA ASP 48 -1.778 -4.413 6.619 383 1HB ASP 48 HB2 ASP 48 0.024 -5.290 8.179 384 2HB ASP 48 HB1 ASP 48 -0.987 -4.770 9.530 385 H LEU 49 HN LEU 49 -3.315 -2.452 6.605 386 HA LEU 49 HA LEU 49 -4.658 -1.617 8.992 387 1HB LEU 49 HB1 LEU 49 -5.282 -1.471 6.027 388 2HB LEU 49 HB2 LEU 49 -6.270 -0.666 7.247 389 HG LEU 49 HG LEU 49 -3.326 -0.210 7.394 390 1HD1 LEU 49 HD11 LEU 49 -3.134 0.559 5.286 391 2HD1 LEU 49 HD12 LEU 49 -4.350 1.779 5.665 392 3HD1 LEU 49 HD13 LEU 49 -4.838 0.232 4.974 393 1HD2 LEU 49 HD21 LEU 49 -5.486 1.870 7.459 394 2HD2 LEU 49 HD22 LEU 49 -3.970 1.807 8.361 395 3HD2 LEU 49 HD23 LEU 49 -5.317 0.764 8.823 396 H GLY 50 HN GLY 50 -5.184 -4.287 6.790 397 1HA GLY 50 HA2 GLY 50 -6.582 -6.172 7.155 398 2HA GLY 50 HA1 GLY 50 -7.270 -5.355 8.560 399 H GLU 51 HN GLU 51 -9.452 -5.398 8.082 400 HA GLU 51 HA GLU 51 -10.319 -4.518 5.371 401 1HB GLU 51 HB2 GLU 51 -11.264 -6.319 7.495 402 2HB GLU 51 HB1 GLU 51 -12.545 -5.344 6.773 403 1HG GLU 51 HG2 GLU 51 -12.285 -6.301 4.687 404 2HG GLU 51 HG1 GLU 51 -10.570 -6.623 4.931 405 H PHE 52 HN PHE 52 -11.191 -2.523 5.105 406 HA PHE 52 HA PHE 52 -12.364 -1.110 7.469 407 1HB PHE 52 HB1 PHE 52 -11.217 0.948 6.500 408 2HB PHE 52 HB2 PHE 52 -10.149 -0.240 7.225 409 HD1 PHE 52 HD1 PHE 52 -8.203 -0.652 6.059 410 HD2 PHE 52 HD2 PHE 52 -11.774 0.284 3.851 411 HE1 PHE 52 HE1 PHE 52 -6.941 -0.835 3.934 412 HE2 PHE 52 HE2 PHE 52 -10.511 0.096 1.730 413 HZ PHE 52 HZ PHE 52 -8.096 -0.460 1.767 414 H ARG 53 HN ARG 53 -13.937 0.562 6.814 415 HA ARG 53 HA ARG 53 -15.249 -0.267 4.259 416 1HB ARG 53 HB2 ARG 53 -16.356 0.801 6.874 417 2HB ARG 53 HB1 ARG 53 -17.326 0.279 5.497 418 1HG ARG 53 HG1 ARG 53 -16.273 -1.981 5.668 419 2HG ARG 53 HG2 ARG 53 -15.429 -1.443 7.119 420 1HD ARG 53 HD2 ARG 53 -18.452 -1.485 6.782 421 2HD ARG 53 HD1 ARG 53 -17.508 -2.663 7.712 422 HE ARG 53 HE ARG 53 -16.665 -0.237 8.727 423 1HH1 ARG 53 HH11 ARG 53 -19.739 -1.715 8.166 424 2HH1 ARG 53 HH12 ARG 53 -20.512 -0.907 9.487 425 1HH2 ARG 53 HH21 ARG 53 -17.669 0.820 10.454 426 2HH2 ARG 53 HH22 ARG 53 -19.343 0.525 10.779 427 H GLN 54 HN GLN 54 -16.081 1.258 2.871 428 HA GLN 54 HA GLN 54 -15.949 3.356 1.721 429 1HB GLN 54 HB2 GLN 54 -17.444 3.706 4.328 430 2HB GLN 54 HB1 GLN 54 -17.530 4.866 3.002 431 1HG GLN 54 HG2 GLN 54 -18.416 3.172 1.505 432 2HG GLN 54 HG1 GLN 54 -18.181 1.917 2.723 433 1HE2 GLN 54 HE21 GLN 54 -20.738 1.990 1.948 434 2HE2 GLN 54 HE22 GLN 54 -21.732 2.832 3.036 435 H GLY 55 HN GLY 55 -16.035 4.900 4.863 436 1HA GLY 55 HA2 GLY 55 -14.275 6.933 4.022 437 2HA GLY 55 HA1 GLY 55 -14.749 6.668 5.697 438 H GLN 56 HN GLN 56 -12.588 5.056 3.298 439 HA GLN 56 HA GLN 56 -10.475 5.035 5.439 440 1HB GLN 56 HB2 GLN 56 -10.878 2.834 3.417 441 2HB GLN 56 HB1 GLN 56 -10.006 2.768 4.946 442 1HG GLN 56 HG1 GLN 56 -13.001 3.112 4.677 443 2HG GLN 56 HG2 GLN 56 -12.195 1.605 5.078 444 1HE2 GLN 56 HE21 GLN 56 -13.931 3.856 6.575 445 2HE2 GLN 56 HE22 GLN 56 -13.147 3.910 8.088 446 H MET 57 HN MET 57 -11.301 6.178 2.479 447 HA MET 57 HA MET 57 -9.062 5.163 0.964 448 1HB MET 57 HB2 MET 57 -11.343 7.062 0.397 449 2HB MET 57 HB1 MET 57 -10.176 6.562 -0.830 450 1HG MET 57 HG2 MET 57 -10.761 4.198 -0.428 451 2HG MET 57 HG1 MET 57 -11.926 4.695 0.802 452 1HE MET 57 HE1 MET 57 -13.577 6.260 0.567 453 2HE MET 57 HE2 MET 57 -14.765 6.224 -0.733 454 3HE MET 57 HE3 MET 57 -13.461 7.408 -0.774 455 H VAL 58 HN VAL 58 -8.170 6.936 -0.693 456 HA VAL 58 HA VAL 58 -7.315 9.483 0.445 457 HB VAL 58 HB VAL 58 -6.023 8.096 1.897 458 1HG1 VAL 58 HG21 VAL 58 -5.139 6.445 -0.476 459 2HG1 VAL 58 HG22 VAL 58 -6.519 6.003 0.529 460 3HG1 VAL 58 HG23 VAL 58 -4.904 6.087 1.233 461 1HG2 VAL 58 HG11 VAL 58 -3.792 8.129 0.061 462 2HG2 VAL 58 HG12 VAL 58 -4.090 9.163 1.460 463 3HG2 VAL 58 HG13 VAL 58 -4.737 9.607 -0.117 464 HA PRO 59 HA PRO 59 -7.123 10.531 -3.735 465 1HB PRO 59 HB2 PRO 59 -4.356 11.487 -3.426 466 2HB PRO 59 HB1 PRO 59 -5.823 12.401 -3.814 467 1HG PRO 59 HG1 PRO 59 -4.499 12.107 -1.271 468 2HG PRO 59 HG2 PRO 59 -5.883 13.124 -1.688 469 1HD PRO 59 HD2 PRO 59 -6.004 10.951 -0.003 470 2HD PRO 59 HD1 PRO 59 -7.391 11.595 -0.908 471 H ALA 60 HN ALA 60 -3.958 9.249 -2.606 472 HA ALA 60 HA ALA 60 -3.193 8.078 -5.093 473 1HB ALA 60 HB1 ALA 60 -2.328 6.673 -2.669 474 2HB ALA 60 HB2 ALA 60 -2.176 8.425 -2.530 475 3HB ALA 60 HB3 ALA 60 -1.364 7.570 -3.842 476 H PHE 61 HN PHE 61 -4.956 6.709 -2.304 477 HA PHE 61 HA PHE 61 -5.140 4.026 -3.233 478 1HB PHE 61 HB2 PHE 61 -5.671 4.715 -0.962 479 2HB PHE 61 HB1 PHE 61 -6.994 5.728 -1.540 480 HD1 PHE 61 HD1 PHE 61 -9.081 4.740 -2.354 481 HD2 PHE 61 HD2 PHE 61 -5.855 2.272 -0.942 482 HE1 PHE 61 HE1 PHE 61 -10.614 2.790 -2.260 483 HE2 PHE 61 HE2 PHE 61 -7.389 0.323 -0.846 484 HZ PHE 61 HZ PHE 61 -9.768 0.582 -1.506 485 H ASP 62 HN ASP 62 -7.253 6.835 -3.848 486 HA ASP 62 HA ASP 62 -9.305 5.409 -5.254 487 1HB ASP 62 HB1 ASP 62 -9.455 7.723 -4.349 488 2HB ASP 62 HB2 ASP 62 -8.295 8.258 -5.564 489 H LYS 63 HN LYS 63 -6.335 7.020 -6.384 490 HA LYS 63 HA LYS 63 -6.676 6.615 -9.174 491 1HB LYS 63 HB1 LYS 63 -4.240 6.668 -7.367 492 2HB LYS 63 HB2 LYS 63 -4.150 6.750 -9.126 493 1HG LYS 63 HG1 LYS 63 -5.555 8.781 -9.103 494 2HG LYS 63 HG2 LYS 63 -5.644 8.701 -7.344 495 1HD LYS 63 HD2 LYS 63 -3.189 8.931 -7.210 496 2HD LYS 63 HD1 LYS 63 -3.099 9.013 -8.968 497 1HE LYS 63 HE1 LYS 63 -4.853 10.942 -7.443 498 2HE LYS 63 HE2 LYS 63 -3.122 11.264 -7.658 499 1HZ LYS 63 HZ1 LYS 63 -3.346 11.475 -9.891 500 2HZ LYS 63 HZ2 LYS 63 -4.941 11.900 -9.489 501 3HZ LYS 63 HZ3 LYS 63 -4.582 10.320 -9.998 502 H VAL 64 HN VAL 64 -4.831 4.571 -6.861 503 HA VAL 64 HA VAL 64 -4.251 2.580 -8.826 504 HB VAL 64 HB VAL 64 -2.845 2.853 -6.902 505 1HG1 VAL 64 HG21 VAL 64 -5.235 3.320 -5.538 506 2HG1 VAL 64 HG22 VAL 64 -3.628 3.267 -4.825 507 3HG1 VAL 64 HG23 VAL 64 -4.631 1.817 -4.846 508 1HG2 VAL 64 HG11 VAL 64 -3.777 0.388 -5.808 509 2HG2 VAL 64 HG12 VAL 64 -2.442 0.642 -6.933 510 3HG2 VAL 64 HG13 VAL 64 -4.070 0.350 -7.547 511 H VAL 65 HN VAL 65 -6.777 2.565 -6.243 512 HA VAL 65 HA VAL 65 -7.807 -0.030 -6.845 513 HB VAL 65 HB VAL 65 -8.413 1.610 -4.950 514 1HG1 VAL 65 HG21 VAL 65 -10.394 3.039 -5.454 515 2HG1 VAL 65 HG22 VAL 65 -10.212 2.647 -7.163 516 3HG1 VAL 65 HG23 VAL 65 -8.952 3.555 -6.325 517 1HG2 VAL 65 HG11 VAL 65 -10.571 0.590 -4.679 518 2HG2 VAL 65 HG12 VAL 65 -9.573 -0.583 -5.540 519 3HG2 VAL 65 HG13 VAL 65 -10.758 0.380 -6.421 520 H PHE 66 HN PHE 66 -7.994 3.036 -8.535 521 HA PHE 66 HA PHE 66 -9.942 1.924 -10.499 522 1HB PHE 66 HB1 PHE 66 -9.107 4.532 -9.523 523 2HB PHE 66 HB2 PHE 66 -9.058 4.473 -11.284 524 HD1 PHE 66 HD1 PHE 66 -11.056 5.847 -9.135 525 HD2 PHE 66 HD2 PHE 66 -11.240 2.448 -11.762 526 HE1 PHE 66 HE1 PHE 66 -13.530 6.039 -9.211 527 HE2 PHE 66 HE2 PHE 66 -13.713 2.640 -11.837 528 HZ PHE 66 HZ PHE 66 -14.858 4.434 -10.562 529 H SER 67 HN SER 67 -6.579 2.069 -10.018 530 HA SER 67 HA SER 67 -5.925 2.057 -12.906 531 1HB SER 67 HB1 SER 67 -4.148 1.769 -10.473 532 2HB SER 67 HB2 SER 67 -3.617 2.069 -12.122 533 HG SER 67 HG SER 67 -3.820 4.081 -11.626 534 H CYS 68 HN CYS 68 -5.771 -0.076 -10.050 535 HA CYS 68 HA CYS 68 -5.410 -2.393 -11.929 536 1HB CYS 68 HB2 CYS 68 -4.448 -1.921 -9.087 537 2HB CYS 68 HB1 CYS 68 -4.244 -3.440 -9.964 538 HG CYS 68 HG CYS 68 -2.117 -2.298 -10.657 539 HA PRO 69 HA PRO 69 -9.190 -3.920 -10.240 540 1HB PRO 69 HB1 PRO 69 -8.821 -6.598 -10.733 541 2HB PRO 69 HB2 PRO 69 -9.263 -5.425 -11.988 542 1HG PRO 69 HG2 PRO 69 -6.633 -6.659 -11.382 543 2HG PRO 69 HG1 PRO 69 -7.325 -6.183 -12.936 544 1HD PRO 69 HD2 PRO 69 -5.416 -4.747 -11.562 545 2HD PRO 69 HD1 PRO 69 -6.513 -4.061 -12.776 546 H VAL 70 HN VAL 70 -9.942 -5.171 -8.370 547 HA VAL 70 HA VAL 70 -8.229 -5.166 -6.111 548 HB VAL 70 HB VAL 70 -10.685 -5.138 -6.043 549 1HG1 VAL 70 HG11 VAL 70 -10.303 -7.593 -7.628 550 2HG1 VAL 70 HG12 VAL 70 -11.665 -6.473 -7.598 551 3HG1 VAL 70 HG13 VAL 70 -11.531 -7.731 -6.370 552 1HG2 VAL 70 HG21 VAL 70 -11.031 -6.769 -4.253 553 2HG2 VAL 70 HG22 VAL 70 -9.433 -6.046 -4.086 554 3HG2 VAL 70 HG23 VAL 70 -9.600 -7.664 -4.760 555 H LEU 71 HN LEU 71 -7.775 -7.273 -4.829 556 HA LEU 71 HA LEU 71 -6.479 -9.244 -4.690 557 1HB LEU 71 HB2 LEU 71 -8.100 -9.631 -7.210 558 2HB LEU 71 HB1 LEU 71 -6.951 -10.852 -6.670 559 HG LEU 71 HG LEU 71 -8.262 -10.395 -4.345 560 1HD1 LEU 71 HD21 LEU 71 -10.303 -9.465 -4.605 561 2HD1 LEU 71 HD22 LEU 71 -10.669 -10.508 -5.979 562 3HD1 LEU 71 HD23 LEU 71 -9.794 -8.996 -6.228 563 1HD2 LEU 71 HD11 LEU 71 -7.975 -12.607 -5.197 564 2HD2 LEU 71 HD12 LEU 71 -8.939 -12.257 -6.632 565 3HD2 LEU 71 HD13 LEU 71 -9.718 -12.384 -5.055 566 H GLU 72 HN GLU 72 -5.279 -6.855 -5.803 567 HA GLU 72 HA GLU 72 -3.072 -8.118 -7.310 568 1HB GLU 72 HB1 GLU 72 -5.113 -7.225 -8.771 569 2HB GLU 72 HB2 GLU 72 -4.311 -5.675 -8.518 570 1HG GLU 72 HG2 GLU 72 -2.478 -7.860 -9.248 571 2HG GLU 72 HG1 GLU 72 -3.658 -7.471 -10.498 572 HA PRO 73 HA PRO 73 -1.269 -5.038 -4.582 573 1HB PRO 73 HB2 PRO 73 1.334 -5.799 -5.082 574 2HB PRO 73 HB1 PRO 73 0.282 -6.597 -3.900 575 1HG PRO 73 HG1 PRO 73 1.012 -7.427 -6.660 576 2HG PRO 73 HG2 PRO 73 0.744 -8.415 -5.217 577 1HD PRO 73 HD1 PRO 73 -1.080 -8.144 -7.235 578 2HD PRO 73 HD2 PRO 73 -1.520 -8.508 -5.553 579 H THR 74 HN THR 74 -0.733 -2.954 -5.174 580 HA THR 74 HA THR 74 0.627 -2.511 -7.800 581 HB THR 74 HB THR 74 -1.879 -1.144 -6.766 582 HG1 THR 74 HG1 THR 74 -2.747 -2.827 -7.656 583 1HG2 THR 74 HG21 THR 74 -1.896 0.017 -8.901 584 2HG2 THR 74 HG22 THR 74 -0.464 -0.865 -9.430 585 3HG2 THR 74 HG23 THR 74 -0.344 0.301 -8.112 586 H GLY 75 HN GLY 75 1.932 -0.637 -7.834 587 1HA GLY 75 HA1 GLY 75 2.236 1.633 -6.590 588 2HA GLY 75 HA2 GLY 75 2.384 0.608 -5.163 589 HA PRO 76 HA PRO 76 3.700 1.952 -4.325 590 1HB PRO 76 HB1 PRO 76 5.678 3.839 -4.163 591 2HB PRO 76 HB2 PRO 76 5.786 2.250 -3.386 592 1HG PRO 76 HG2 PRO 76 7.047 3.229 -5.892 593 2HG PRO 76 HG1 PRO 76 7.676 2.106 -4.677 594 1HD PRO 76 HD1 PRO 76 6.620 1.360 -7.112 595 2HD PRO 76 HD2 PRO 76 6.729 0.303 -5.691 596 H LEU 77 HN LEU 77 2.271 3.651 -4.585 597 HA LEU 77 HA LEU 77 2.247 5.043 -7.203 598 1HB LEU 77 HB2 LEU 77 0.232 3.925 -6.351 599 2HB LEU 77 HB1 LEU 77 0.294 4.903 -4.884 600 HG LEU 77 HG LEU 77 0.089 6.954 -6.310 601 1HD1 LEU 77 HD11 LEU 77 -0.142 4.842 -8.456 602 2HD1 LEU 77 HD12 LEU 77 0.915 6.253 -8.421 603 3HD1 LEU 77 HD13 LEU 77 -0.818 6.456 -8.670 604 1HD2 LEU 77 HD21 LEU 77 -2.338 6.032 -7.214 605 2HD2 LEU 77 HD22 LEU 77 -2.026 6.584 -5.568 606 3HD2 LEU 77 HD23 LEU 77 -1.954 4.864 -5.949 607 H HIS 78 HN HIS 78 2.041 7.381 -7.316 608 HA HIS 78 HA HIS 78 3.644 8.804 -5.331 609 1HB HIS 78 HB1 HIS 78 3.686 9.224 -7.783 610 2HB HIS 78 HB2 HIS 78 2.007 9.767 -7.701 611 HD1 HIS 78 HD1 HIS 78 5.315 11.100 -7.675 612 HD2 HIS 78 HD2 HIS 78 1.823 12.002 -5.582 613 HE1 HIS 78 HE1 HIS 78 5.612 13.443 -6.762 614 H THR 79 HN THR 79 2.785 9.573 -3.466 615 HA THR 79 HA THR 79 0.082 10.836 -3.562 616 HB THR 79 HB THR 79 -0.049 8.556 -2.526 617 HG1 THR 79 HG1 THR 79 -1.216 9.262 -0.827 618 1HG2 THR 79 HG21 THR 79 2.233 9.684 -0.994 619 2HG2 THR 79 HG22 THR 79 1.904 8.014 -1.456 620 3HG2 THR 79 HG23 THR 79 1.076 8.729 -0.075 621 H GLN 80 HN GLN 80 -0.148 12.421 -1.702 622 HA GLN 80 HA GLN 80 2.056 14.211 -1.554 623 1HB GLN 80 HB1 GLN 80 -0.332 14.763 -1.189 624 2HB GLN 80 HB2 GLN 80 -0.311 13.829 0.308 625 1HG GLN 80 HG2 GLN 80 1.424 15.331 1.221 626 2HG GLN 80 HG1 GLN 80 1.403 16.264 -0.276 627 1HE2 GLN 80 HE21 GLN 80 0.414 18.218 0.359 628 2HE2 GLN 80 HE22 GLN 80 -1.098 18.315 1.126 629 H PHE 81 HN PHE 81 0.968 11.675 0.695 630 HA PHE 81 HA PHE 81 2.769 12.296 2.834 631 1HB PHE 81 HB2 PHE 81 1.470 9.692 1.968 632 2HB PHE 81 HB1 PHE 81 2.139 10.012 3.569 633 HD1 PHE 81 HD1 PHE 81 1.145 11.864 4.978 634 HD2 PHE 81 HD2 PHE 81 -0.694 10.471 1.350 635 HE1 PHE 81 HE1 PHE 81 -0.995 12.923 5.655 636 HE2 PHE 81 HE2 PHE 81 -2.834 11.529 2.028 637 HZ PHE 81 HZ PHE 81 -2.984 12.757 4.181 638 H GLY 82 HN GLY 82 3.390 10.948 -0.256 639 1HA GLY 82 HA2 GLY 82 5.968 10.716 -0.580 640 2HA GLY 82 HA1 GLY 82 5.828 9.544 0.732 641 H TYR 83 HN TYR 83 6.256 7.636 -0.390 642 HA TYR 83 HA TYR 83 4.636 7.075 -2.839 643 1HB TYR 83 HB1 TYR 83 7.124 5.868 -1.600 644 2HB TYR 83 HB2 TYR 83 6.314 5.166 -3.003 645 HD1 TYR 83 HD1 TYR 83 8.620 7.678 -1.854 646 HD2 TYR 83 HD2 TYR 83 5.929 6.672 -5.051 647 HE1 TYR 83 HE1 TYR 83 9.761 9.315 -3.329 648 HE2 TYR 83 HE2 TYR 83 7.071 8.307 -6.528 649 HH TYR 83 HH TYR 83 8.636 9.874 -6.670 650 H HIS 84 HN HIS 84 2.831 5.853 -2.541 651 HA HIS 84 HA HIS 84 2.685 4.041 -0.155 652 1HB HIS 84 HB2 HIS 84 0.636 5.403 -1.914 653 2HB HIS 84 HB1 HIS 84 0.197 4.043 -0.888 654 HD1 HIS 84 HD1 HIS 84 -0.949 6.870 -0.347 655 HD2 HIS 84 HD2 HIS 84 2.456 5.344 1.511 656 HE1 HIS 84 HE1 HIS 84 -0.683 8.151 1.818 657 H ILE 85 HN ILE 85 3.011 1.902 -0.593 658 HA ILE 85 HA ILE 85 2.178 0.914 -3.302 659 HB ILE 85 HB ILE 85 4.570 0.522 -2.361 660 1HG1 ILE 85 HG12 ILE 85 3.327 -2.110 -2.981 661 2HG1 ILE 85 HG11 ILE 85 3.072 -0.823 -4.159 662 1HG2 ILE 85 HG21 ILE 85 3.345 -0.282 -0.124 663 2HG2 ILE 85 HG22 ILE 85 4.887 -0.971 -0.630 664 3HG2 ILE 85 HG23 ILE 85 3.385 -1.835 -0.959 665 1HD1 ILE 85 HD11 ILE 85 5.477 -0.459 -4.343 666 2HD1 ILE 85 HD12 ILE 85 5.129 -2.164 -4.625 667 3HD1 ILE 85 HD13 ILE 85 5.783 -1.643 -3.072 668 H ILE 86 HN ILE 86 0.170 0.054 -3.265 669 HA ILE 86 HA ILE 86 -0.925 -0.818 -0.626 670 HB ILE 86 HB ILE 86 -2.223 0.237 -3.159 671 1HG1 ILE 86 HG11 ILE 86 -1.849 1.601 -0.480 672 2HG1 ILE 86 HG12 ILE 86 -0.755 1.832 -1.844 673 1HG2 ILE 86 HG21 ILE 86 -3.293 -0.601 -0.467 674 2HG2 ILE 86 HG22 ILE 86 -3.886 -1.034 -2.070 675 3HG2 ILE 86 HG23 ILE 86 -4.144 0.594 -1.445 676 1HD1 ILE 86 HD11 ILE 86 -3.742 2.369 -1.891 677 2HD1 ILE 86 HD12 ILE 86 -2.622 2.640 -3.227 678 3HD1 ILE 86 HD13 ILE 86 -2.490 3.604 -1.754 679 H LYS 87 HN LYS 87 -1.572 -2.910 -0.404 680 HA LYS 87 HA LYS 87 -1.863 -4.633 -2.828 681 1HB LYS 87 HB2 LYS 87 -0.416 -5.409 -0.970 682 2HB LYS 87 HB1 LYS 87 -1.775 -5.252 0.141 683 1HG LYS 87 HG2 LYS 87 -3.026 -6.944 -1.058 684 2HG LYS 87 HG1 LYS 87 -1.775 -7.046 -2.297 685 1HD LYS 87 HD2 LYS 87 -1.133 -7.546 0.608 686 2HD LYS 87 HD1 LYS 87 -1.772 -8.834 -0.414 687 1HE LYS 87 HE1 LYS 87 0.111 -8.276 -2.063 688 2HE LYS 87 HE2 LYS 87 0.817 -7.296 -0.762 689 1HZ LYS 87 HZ1 LYS 87 1.637 -9.568 -0.645 690 2HZ LYS 87 HZ2 LYS 87 0.049 -10.168 -0.581 691 3HZ LYS 87 HZ3 LYS 87 0.661 -9.237 0.702 692 H VAL 88 HN VAL 88 -3.934 -4.981 -3.535 693 HA VAL 88 HA VAL 88 -6.177 -4.135 -1.746 694 HB VAL 88 HB VAL 88 -5.991 -4.532 -4.755 695 1HG1 VAL 88 HG11 VAL 88 -8.268 -4.623 -4.327 696 2HG1 VAL 88 HG12 VAL 88 -8.044 -2.882 -4.481 697 3HG1 VAL 88 HG13 VAL 88 -8.144 -3.621 -2.883 698 1HG2 VAL 88 HG21 VAL 88 -4.523 -2.711 -3.867 699 2HG2 VAL 88 HG22 VAL 88 -5.942 -1.972 -3.127 700 3HG2 VAL 88 HG23 VAL 88 -5.829 -2.099 -4.883 701 H LEU 89 HN LEU 89 -7.401 -5.729 -0.890 702 HA LEU 89 HA LEU 89 -7.621 -8.345 -2.318 703 1HB LEU 89 HB2 LEU 89 -7.242 -7.819 0.638 704 2HB LEU 89 HB1 LEU 89 -7.306 -9.400 -0.133 705 HG LEU 89 HG LEU 89 -5.247 -7.274 -0.795 706 1HD1 LEU 89 HD11 LEU 89 -4.004 -9.487 0.398 707 2HD1 LEU 89 HD12 LEU 89 -5.411 -9.161 1.410 708 3HD1 LEU 89 HD13 LEU 89 -4.223 -7.892 1.117 709 1HD2 LEU 89 HD21 LEU 89 -5.756 -8.911 -2.592 710 2HD2 LEU 89 HD22 LEU 89 -5.411 -10.229 -1.471 711 3HD2 LEU 89 HD23 LEU 89 -4.125 -9.125 -1.959 712 H TYR 90 HN TYR 90 -9.833 -8.447 -2.799 713 HA TYR 90 HA TYR 90 -12.145 -8.719 -2.340 714 1HB TYR 90 HB2 TYR 90 -11.631 -7.464 0.365 715 2HB TYR 90 HB1 TYR 90 -12.932 -8.551 -0.106 716 HD1 TYR 90 HD1 TYR 90 -10.849 -8.856 2.215 717 HD2 TYR 90 HD2 TYR 90 -11.080 -10.422 -1.783 718 HE1 TYR 90 HE1 TYR 90 -9.498 -10.821 2.905 719 HE2 TYR 90 HE2 TYR 90 -9.728 -12.383 -1.094 720 HH TYR 90 HH TYR 90 -8.255 -12.571 2.101 721 H ARG 91 HN ARG 91 -10.607 -5.719 -1.158 722 HA ARG 91 HA ARG 91 -11.184 -3.463 -1.592 723 1HB ARG 91 HB1 ARG 91 -11.263 -4.764 -3.915 724 2HB ARG 91 HB2 ARG 91 -12.987 -4.420 -3.784 725 1HG ARG 91 HG1 ARG 91 -11.973 -1.990 -3.129 726 2HG ARG 91 HG2 ARG 91 -10.714 -2.564 -4.221 727 1HD ARG 91 HD1 ARG 91 -13.557 -2.949 -5.076 728 2HD ARG 91 HD2 ARG 91 -12.870 -1.313 -5.177 729 HE ARG 91 HE ARG 91 -10.886 -2.976 -6.217 730 1HH1 ARG 91 HH11 ARG 91 -14.221 -2.330 -6.855 731 2HH1 ARG 91 HH12 ARG 91 -14.097 -2.685 -8.545 732 1HH2 ARG 91 HH21 ARG 91 -10.716 -3.440 -8.417 733 2HH2 ARG 91 HH22 ARG 91 -12.116 -3.312 -9.428 734 H ASN 92 HN ASN 92 -13.672 -2.425 -2.522 735 HA ASN 92 HA ASN 92 -15.909 -3.637 -1.119 736 1HB ASN 92 HB1 ASN 92 -14.421 -2.795 0.723 737 2HB ASN 92 HB2 ASN 92 -14.623 -1.164 0.081 738 1HD2 ASN 92 HD21 ASN 92 -15.577 -1.063 2.487 739 2HD2 ASN 92 HD22 ASN 92 -17.251 -1.320 2.603 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -17.845 -10.075 -3.806 2 2H ALA 1 HT2 ALA 1 -18.719 -8.630 -3.986 3 3H ALA 1 HT3 ALA 1 -18.879 -9.551 -2.568 4 HA ALA 1 HA ALA 1 -16.620 -9.072 -1.922 5 1HB ALA 1 HB1 ALA 1 -15.704 -7.234 -3.743 6 2HB ALA 1 HB2 ALA 1 -16.629 -8.321 -4.778 7 3HB ALA 1 HB3 ALA 1 -15.314 -8.954 -3.790 8 H LYS 2 HN LYS 2 -16.879 -7.578 -0.314 9 HA LYS 2 HA LYS 2 -18.310 -5.023 -0.976 10 1HB LYS 2 HB2 LYS 2 -18.370 -6.781 1.495 11 2HB LYS 2 HB1 LYS 2 -19.122 -5.188 1.407 12 1HG LYS 2 HG1 LYS 2 -20.513 -5.949 -0.488 13 2HG LYS 2 HG2 LYS 2 -19.761 -7.542 -0.397 14 1HD LYS 2 HD2 LYS 2 -20.611 -7.818 1.900 15 2HD LYS 2 HD1 LYS 2 -21.361 -6.224 1.819 16 1HE LYS 2 HE1 LYS 2 -22.349 -7.405 -0.460 17 2HE LYS 2 HE2 LYS 2 -22.269 -8.782 0.655 18 1HZ LYS 2 HZ1 LYS 2 -24.317 -7.678 1.077 19 2HZ LYS 2 HZ2 LYS 2 -23.575 -6.149 1.102 20 3HZ LYS 2 HZ3 LYS 2 -23.282 -7.258 2.354 21 H THR 3 HN THR 3 -17.393 -3.127 -0.090 22 HA THR 3 HA THR 3 -15.558 -1.787 0.584 23 HB THR 3 HB THR 3 -14.901 -2.251 2.851 24 HG1 THR 3 HG1 THR 3 -15.487 -4.446 3.650 25 1HG2 THR 3 HG21 THR 3 -17.452 -1.972 2.219 26 2HG2 THR 3 HG22 THR 3 -16.977 -2.352 3.874 27 3HG2 THR 3 HG23 THR 3 -17.557 -3.631 2.807 28 H ALA 4 HN ALA 4 -13.062 -2.468 1.657 29 HA ALA 4 HA ALA 4 -11.950 -4.501 -0.232 30 1HB ALA 4 HB1 ALA 4 -10.253 -2.171 0.001 31 2HB ALA 4 HB2 ALA 4 -11.874 -1.686 -0.499 32 3HB ALA 4 HB3 ALA 4 -10.975 -2.868 -1.449 33 H ALA 5 HN ALA 5 -10.162 -5.592 0.586 34 HA ALA 5 HA ALA 5 -9.253 -4.914 3.355 35 1HB ALA 5 HB1 ALA 5 -9.070 -7.169 3.573 36 2HB ALA 5 HB2 ALA 5 -8.129 -7.293 2.087 37 3HB ALA 5 HB3 ALA 5 -9.891 -7.298 2.018 38 H ALA 6 HN ALA 6 -7.310 -3.830 3.512 39 HA ALA 6 HA ALA 6 -5.562 -3.810 1.067 40 1HB ALA 6 HB1 ALA 6 -7.167 -1.934 1.209 41 2HB ALA 6 HB2 ALA 6 -5.503 -1.366 1.346 42 3HB ALA 6 HB3 ALA 6 -6.509 -1.502 2.788 43 H LEU 7 HN LEU 7 -3.434 -4.026 1.451 44 HA LEU 7 HA LEU 7 -2.340 -3.458 4.186 45 1HB LEU 7 HB1 LEU 7 -1.220 -5.027 1.836 46 2HB LEU 7 HB2 LEU 7 -0.414 -4.817 3.391 47 HG LEU 7 HG LEU 7 -3.084 -6.181 2.925 48 1HD1 LEU 7 HD11 LEU 7 -0.503 -7.164 2.621 49 2HD1 LEU 7 HD12 LEU 7 -1.948 -8.137 2.897 50 3HD1 LEU 7 HD13 LEU 7 -0.936 -7.655 4.259 51 1HD2 LEU 7 HD21 LEU 7 -2.345 -6.767 5.483 52 2HD2 LEU 7 HD22 LEU 7 -3.443 -5.453 5.057 53 3HD2 LEU 7 HD23 LEU 7 -1.733 -5.118 5.335 54 H HIS 8 HN HIS 8 -0.686 -1.848 4.314 55 HA HIS 8 HA HIS 8 -0.065 -0.420 1.746 56 1HB HIS 8 HB1 HIS 8 -0.781 0.867 4.393 57 2HB HIS 8 HB2 HIS 8 -0.658 1.652 2.817 58 HD1 HIS 8 HD1 HIS 8 -2.815 1.900 1.594 59 HD2 HIS 8 HD2 HIS 8 -2.968 -1.223 4.351 60 HE1 HIS 8 HE1 HIS 8 -5.187 1.012 1.543 61 H ILE 9 HN ILE 9 2.003 0.443 1.622 62 HA ILE 9 HA ILE 9 3.642 0.500 4.125 63 HB ILE 9 HB ILE 9 4.509 -0.395 1.362 64 1HG1 ILE 9 HG11 ILE 9 4.485 -1.944 3.956 65 2HG1 ILE 9 HG12 ILE 9 3.188 -2.038 2.767 66 1HG2 ILE 9 HG21 ILE 9 6.271 0.888 2.460 67 2HG2 ILE 9 HG22 ILE 9 6.694 -0.825 2.475 68 3HG2 ILE 9 HG23 ILE 9 6.069 -0.058 3.935 69 1HD1 ILE 9 HD11 ILE 9 6.094 -2.578 2.103 70 2HD1 ILE 9 HD12 ILE 9 4.691 -2.882 1.080 71 3HD1 ILE 9 HD13 ILE 9 4.946 -3.844 2.536 72 H LEU 10 HN LEU 10 4.544 2.493 4.419 73 HA LEU 10 HA LEU 10 4.371 4.479 2.199 74 1HB LEU 10 HB2 LEU 10 3.358 4.665 4.615 75 2HB LEU 10 HB1 LEU 10 5.013 5.052 5.086 76 HG LEU 10 HG LEU 10 3.208 6.558 3.188 77 1HD1 LEU 10 HD11 LEU 10 4.767 7.223 5.695 78 2HD1 LEU 10 HD12 LEU 10 3.017 7.260 5.472 79 3HD1 LEU 10 HD13 LEU 10 4.034 8.456 4.669 80 1HD2 LEU 10 HD21 LEU 10 5.313 6.385 2.013 81 2HD2 LEU 10 HD22 LEU 10 6.220 6.739 3.484 82 3HD2 LEU 10 HD23 LEU 10 5.234 7.995 2.731 83 H VAL 11 HN VAL 11 6.278 4.902 1.151 84 HA VAL 11 HA VAL 11 8.851 4.426 2.617 85 HB VAL 11 HB VAL 11 8.524 4.725 -0.372 86 1HG1 VAL 11 HG21 VAL 11 10.796 4.700 0.296 87 2HG1 VAL 11 HG22 VAL 11 10.469 3.039 -0.201 88 3HG1 VAL 11 HG23 VAL 11 10.511 3.456 1.512 89 1HG2 VAL 11 HG11 VAL 11 7.981 2.292 1.347 90 2HG2 VAL 11 HG12 VAL 11 8.405 2.165 -0.360 91 3HG2 VAL 11 HG13 VAL 11 6.933 3.008 0.123 92 H LYS 12 HN LYS 12 10.154 6.187 2.987 93 HA LYS 12 HA LYS 12 9.194 8.861 2.530 94 1HB LYS 12 HB1 LYS 12 11.851 7.654 3.351 95 2HB LYS 12 HB2 LYS 12 11.545 9.390 3.365 96 1HG LYS 12 HG2 LYS 12 9.648 9.041 4.909 97 2HG LYS 12 HG1 LYS 12 9.954 7.305 4.893 98 1HD LYS 12 HD2 LYS 12 12.212 7.699 5.819 99 2HD LYS 12 HD1 LYS 12 11.901 9.434 5.831 100 1HE LYS 12 HE1 LYS 12 9.713 8.530 7.200 101 2HE LYS 12 HE2 LYS 12 10.926 7.331 7.682 102 1HZ LYS 12 HZ1 LYS 12 11.887 10.063 7.571 103 2HZ LYS 12 HZ2 LYS 12 12.143 8.871 8.753 104 3HZ LYS 12 HZ3 LYS 12 10.714 9.789 8.763 105 H GLU 13 HN GLU 13 11.684 6.885 0.900 106 HA GLU 13 HA GLU 13 11.930 9.055 -1.158 107 1HB GLU 13 HB1 GLU 13 13.881 7.057 0.005 108 2HB GLU 13 HB2 GLU 13 14.247 8.019 -1.428 109 1HG GLU 13 HG1 GLU 13 13.926 10.079 -0.180 110 2HG GLU 13 HG2 GLU 13 13.403 9.179 1.240 111 H GLU 14 HN GLU 14 11.789 8.473 -3.317 112 HA GLU 14 HA GLU 14 10.403 6.108 -4.108 113 1HB GLU 14 HB2 GLU 14 10.533 8.240 -5.366 114 2HB GLU 14 HB1 GLU 14 12.244 7.949 -5.671 115 1HG GLU 14 HG1 GLU 14 11.675 5.869 -6.873 116 2HG GLU 14 HG2 GLU 14 9.962 6.162 -6.564 117 H LYS 15 HN LYS 15 13.887 6.914 -4.182 118 HA LYS 15 HA LYS 15 14.843 4.553 -5.445 119 1HB LYS 15 HB1 LYS 15 15.978 6.385 -3.308 120 2HB LYS 15 HB2 LYS 15 16.934 5.147 -4.121 121 1HG LYS 15 HG2 LYS 15 16.430 6.192 -6.302 122 2HG LYS 15 HG1 LYS 15 15.475 7.430 -5.488 123 1HD LYS 15 HD2 LYS 15 17.478 8.151 -4.234 124 2HD LYS 15 HD1 LYS 15 18.433 6.913 -5.049 125 1HE LYS 15 HE1 LYS 15 17.619 8.033 -7.254 126 2HE LYS 15 HE2 LYS 15 17.206 9.412 -6.218 127 1HZ LYS 15 HZ1 LYS 15 19.645 9.049 -7.186 128 2HZ LYS 15 HZ2 LYS 15 19.790 8.130 -5.765 129 3HZ LYS 15 HZ3 LYS 15 19.368 9.773 -5.677 130 H LEU 16 HN LEU 16 14.094 5.223 -2.018 131 HA LEU 16 HA LEU 16 14.969 2.653 -1.018 132 1HB LEU 16 HB2 LEU 16 14.452 4.914 0.166 133 2HB LEU 16 HB1 LEU 16 12.773 4.369 0.143 134 HG LEU 16 HG LEU 16 14.975 2.594 1.193 135 1HD1 LEU 16 HD11 LEU 16 15.157 3.769 3.110 136 2HD1 LEU 16 HD12 LEU 16 13.406 3.923 3.252 137 3HD1 LEU 16 HD13 LEU 16 14.318 5.085 2.289 138 1HD2 LEU 16 HD21 LEU 16 12.109 2.453 0.880 139 2HD2 LEU 16 HD22 LEU 16 12.535 2.314 2.585 140 3HD2 LEU 16 HD23 LEU 16 13.226 1.197 1.408 141 H ALA 17 HN ALA 17 11.839 3.928 -2.156 142 HA ALA 17 HA ALA 17 10.232 1.611 -1.644 143 1HB ALA 17 HB1 ALA 17 9.539 3.962 -2.317 144 2HB ALA 17 HB2 ALA 17 8.723 2.673 -3.203 145 3HB ALA 17 HB3 ALA 17 10.046 3.562 -3.959 146 H LEU 18 HN LEU 18 12.182 2.572 -4.479 147 HA LEU 18 HA LEU 18 11.638 0.289 -6.125 148 1HB LEU 18 HB2 LEU 18 13.637 2.467 -5.871 149 2HB LEU 18 HB1 LEU 18 14.192 1.042 -6.743 150 HG LEU 18 HG LEU 18 11.648 1.432 -7.765 151 1HD1 LEU 18 HD21 LEU 18 11.166 3.563 -6.992 152 2HD1 LEU 18 HD22 LEU 18 12.028 3.967 -8.476 153 3HD1 LEU 18 HD23 LEU 18 12.864 4.036 -6.926 154 1HD2 LEU 18 HD11 LEU 18 13.028 2.542 -9.690 155 2HD2 LEU 18 HD12 LEU 18 13.379 0.872 -9.246 156 3HD2 LEU 18 HD13 LEU 18 14.421 2.175 -8.672 157 H ASP 19 HN ASP 19 14.135 0.919 -3.664 158 HA ASP 19 HA ASP 19 15.496 -1.607 -3.784 159 1HB ASP 19 HB2 ASP 19 16.253 0.456 -2.613 160 2HB ASP 19 HB1 ASP 19 14.919 0.273 -1.469 161 H LEU 20 HN LEU 20 12.666 -0.457 -1.975 162 HA LEU 20 HA LEU 20 12.143 -2.835 -0.462 163 1HB LEU 20 HB1 LEU 20 11.062 -0.920 0.273 164 2HB LEU 20 HB2 LEU 20 10.777 -0.334 -1.364 165 HG LEU 20 HG LEU 20 9.075 -2.222 -1.607 166 1HD1 LEU 20 HD11 LEU 20 9.845 -3.633 0.234 167 2HD1 LEU 20 HD12 LEU 20 8.189 -3.114 0.547 168 3HD1 LEU 20 HD13 LEU 20 9.532 -2.339 1.390 169 1HD2 LEU 20 HD21 LEU 20 7.356 -0.897 -0.690 170 2HD2 LEU 20 HD22 LEU 20 8.658 0.261 -0.967 171 3HD2 LEU 20 HD23 LEU 20 8.363 -0.363 0.656 172 H LEU 21 HN LEU 21 10.951 -1.665 -3.600 173 HA LEU 21 HA LEU 21 9.142 -3.787 -4.161 174 1HB LEU 21 HB2 LEU 21 10.528 -1.595 -5.545 175 2HB LEU 21 HB1 LEU 21 10.127 -2.948 -6.601 176 HG LEU 21 HG LEU 21 7.782 -2.841 -5.496 177 1HD1 LEU 21 HD11 LEU 21 7.224 -0.462 -4.796 178 2HD1 LEU 21 HD12 LEU 21 8.955 -0.155 -4.718 179 3HD1 LEU 21 HD13 LEU 21 8.220 -1.358 -3.654 180 1HD2 LEU 21 HD21 LEU 21 8.694 -0.553 -7.264 181 2HD2 LEU 21 HD22 LEU 21 7.049 -1.175 -7.130 182 3HD2 LEU 21 HD23 LEU 21 8.316 -2.178 -7.835 183 H GLU 22 HN GLU 22 12.593 -3.427 -4.994 184 HA GLU 22 HA GLU 22 12.878 -5.802 -6.525 185 1HB GLU 22 HB1 GLU 22 14.478 -3.888 -6.308 186 2HB GLU 22 HB2 GLU 22 14.874 -4.446 -4.682 187 1HG GLU 22 HG2 GLU 22 16.555 -5.336 -6.158 188 2HG GLU 22 HG1 GLU 22 15.500 -6.678 -5.715 189 H GLN 23 HN GLN 23 13.193 -5.268 -3.015 190 HA GLN 23 HA GLN 23 14.230 -7.806 -2.292 191 1HB GLN 23 HB2 GLN 23 12.409 -5.820 -0.904 192 2HB GLN 23 HB1 GLN 23 13.141 -7.194 -0.076 193 1HG GLN 23 HG1 GLN 23 14.711 -5.087 -1.587 194 2HG GLN 23 HG2 GLN 23 14.457 -5.071 0.158 195 1HE2 GLN 23 HE21 GLN 23 16.820 -5.806 -1.944 196 2HE2 GLN 23 HE22 GLN 23 17.539 -7.135 -1.170 197 H ILE 24 HN ILE 24 10.857 -6.723 -2.673 198 HA ILE 24 HA ILE 24 9.631 -9.140 -1.745 199 HB ILE 24 HB ILE 24 8.775 -6.883 -3.566 200 1HG1 ILE 24 HG11 ILE 24 7.709 -7.423 -0.823 201 2HG1 ILE 24 HG12 ILE 24 9.317 -6.719 -0.975 202 1HG2 ILE 24 HG21 ILE 24 7.508 -9.141 -3.838 203 2HG2 ILE 24 HG22 ILE 24 6.560 -7.684 -3.552 204 3HG2 ILE 24 HG23 ILE 24 6.876 -8.802 -2.227 205 1HD1 ILE 24 HD11 ILE 24 6.719 -5.472 -1.366 206 2HD1 ILE 24 HD12 ILE 24 7.734 -5.291 -2.797 207 3HD1 ILE 24 HD13 ILE 24 8.307 -4.716 -1.232 208 H LYS 25 HN LYS 25 10.472 -8.023 -5.042 209 HA LYS 25 HA LYS 25 9.206 -10.107 -6.467 210 1HB LYS 25 HB2 LYS 25 11.672 -8.430 -7.004 211 2HB LYS 25 HB1 LYS 25 10.939 -9.475 -8.223 212 1HG LYS 25 HG1 LYS 25 8.796 -8.272 -7.969 213 2HG LYS 25 HG2 LYS 25 9.527 -7.229 -6.748 214 1HD LYS 25 HD2 LYS 25 11.162 -6.424 -8.415 215 2HD LYS 25 HD1 LYS 25 10.432 -7.468 -9.636 216 1HE LYS 25 HE1 LYS 25 8.308 -6.252 -9.455 217 2HE LYS 25 HE2 LYS 25 8.972 -5.248 -8.152 218 1HZ LYS 25 HZ1 LYS 25 9.309 -4.044 -10.149 219 2HZ LYS 25 HZ2 LYS 25 9.883 -5.414 -10.974 220 3HZ LYS 25 HZ3 LYS 25 10.821 -4.701 -9.750 221 H ASN 26 HN ASN 26 12.607 -9.952 -5.327 222 HA ASN 26 HA ASN 26 13.401 -12.555 -6.215 223 1HB ASN 26 HB2 ASN 26 14.825 -10.664 -5.326 224 2HB ASN 26 HB1 ASN 26 14.246 -11.062 -3.716 225 1HD2 ASN 26 HD21 ASN 26 14.457 -13.947 -5.515 226 2HD2 ASN 26 HD22 ASN 26 15.991 -14.441 -4.992 227 H GLY 27 HN GLY 27 12.553 -11.558 -2.900 228 1HA GLY 27 HA2 GLY 27 11.935 -14.399 -2.310 229 2HA GLY 27 HA1 GLY 27 12.379 -13.172 -1.125 230 H ALA 28 HN ALA 28 10.570 -11.140 -1.982 231 HA ALA 28 HA ALA 28 8.268 -10.513 -1.815 232 1HB ALA 28 HB1 ALA 28 8.110 -13.146 -2.658 233 2HB ALA 28 HB2 ALA 28 6.727 -12.084 -2.390 234 3HB ALA 28 HB3 ALA 28 7.258 -13.180 -1.113 235 H ASP 29 HN ASP 29 6.493 -10.980 -0.019 236 HA ASP 29 HA ASP 29 6.163 -11.527 2.426 237 1HB ASP 29 HB2 ASP 29 9.000 -10.464 2.465 238 2HB ASP 29 HB1 ASP 29 8.033 -10.704 3.915 239 H PHE 30 HN PHE 30 4.708 -9.790 1.413 240 HA PHE 30 HA PHE 30 5.358 -6.999 1.608 241 1HB PHE 30 HB1 PHE 30 2.951 -8.734 1.330 242 2HB PHE 30 HB2 PHE 30 2.673 -7.079 1.877 243 HD1 PHE 30 HD1 PHE 30 3.640 -9.205 -0.937 244 HD2 PHE 30 HD2 PHE 30 3.453 -5.152 0.491 245 HE1 PHE 30 HE1 PHE 30 3.940 -8.373 -3.255 246 HE2 PHE 30 HE2 PHE 30 3.749 -4.322 -1.828 247 HZ PHE 30 HZ PHE 30 3.993 -5.933 -3.701 248 H GLY 31 HN GLY 31 3.900 -9.301 3.908 249 1HA GLY 31 HA1 GLY 31 3.171 -7.412 5.895 250 2HA GLY 31 HA2 GLY 31 3.522 -9.109 6.215 251 H LYS 32 HN LYS 32 6.143 -9.437 5.791 252 HA LYS 32 HA LYS 32 7.334 -8.205 8.077 253 1HB LYS 32 HB2 LYS 32 8.426 -9.730 5.699 254 2HB LYS 32 HB1 LYS 32 9.416 -9.292 7.092 255 1HG LYS 32 HG1 LYS 32 7.864 -10.513 8.577 256 2HG LYS 32 HG2 LYS 32 6.875 -10.950 7.183 257 1HD LYS 32 HD2 LYS 32 8.773 -12.166 6.199 258 2HD LYS 32 HD1 LYS 32 9.792 -11.701 7.561 259 1HE LYS 32 HE1 LYS 32 9.088 -13.618 8.567 260 2HE LYS 32 HE2 LYS 32 7.508 -12.833 8.744 261 1HZ LYS 32 HZ1 LYS 32 7.446 -14.961 7.471 262 2HZ LYS 32 HZ2 LYS 32 8.408 -14.229 6.277 263 3HZ LYS 32 HZ3 LYS 32 6.851 -13.630 6.605 264 H LEU 33 HN LEU 33 7.709 -7.514 4.591 265 HA LEU 33 HA LEU 33 9.798 -5.568 4.885 266 1HB LEU 33 HB2 LEU 33 7.662 -6.113 2.807 267 2HB LEU 33 HB1 LEU 33 8.953 -4.933 2.566 268 HG LEU 33 HG LEU 33 9.594 -7.758 3.404 269 1HD1 LEU 33 HD11 LEU 33 8.780 -8.513 1.437 270 2HD1 LEU 33 HD12 LEU 33 10.060 -7.584 0.655 271 3HD1 LEU 33 HD13 LEU 33 8.460 -6.875 0.870 272 1HD2 LEU 33 HD21 LEU 33 11.229 -6.063 1.561 273 2HD2 LEU 33 HD22 LEU 33 11.757 -7.203 2.798 274 3HD2 LEU 33 HD23 LEU 33 11.172 -5.605 3.263 275 H ALA 34 HN ALA 34 6.244 -5.277 4.803 276 HA ALA 34 HA ALA 34 6.053 -2.434 4.849 277 1HB ALA 34 HB1 ALA 34 4.295 -4.541 6.151 278 2HB ALA 34 HB2 ALA 34 4.228 -4.096 4.445 279 3HB ALA 34 HB3 ALA 34 3.795 -2.916 5.683 280 H LYS 35 HN LYS 35 6.190 -4.810 7.530 281 HA LYS 35 HA LYS 35 5.951 -2.967 9.677 282 1HB LYS 35 HB1 LYS 35 7.383 -5.622 9.361 283 2HB LYS 35 HB2 LYS 35 7.145 -4.834 10.921 284 1HG LYS 35 HG1 LYS 35 4.899 -5.541 9.010 285 2HG LYS 35 HG2 LYS 35 5.379 -6.535 10.385 286 1HD LYS 35 HD1 LYS 35 4.936 -4.617 11.900 287 2HD LYS 35 HD2 LYS 35 4.400 -3.665 10.514 288 1HE LYS 35 HE1 LYS 35 3.150 -6.312 11.336 289 2HE LYS 35 HE2 LYS 35 2.487 -4.721 11.754 290 1HZ LYS 35 HZ1 LYS 35 1.505 -5.470 9.697 291 2HZ LYS 35 HZ2 LYS 35 3.035 -5.759 9.018 292 3HZ LYS 35 HZ3 LYS 35 2.542 -4.170 9.363 293 H LYS 36 HN LYS 36 8.917 -4.280 8.152 294 HA LYS 36 HA LYS 36 10.756 -2.932 9.843 295 1HB LYS 36 HB2 LYS 36 11.122 -4.882 8.280 296 2HB LYS 36 HB1 LYS 36 11.119 -3.733 6.941 297 1HG LYS 36 HG1 LYS 36 13.034 -2.557 7.897 298 2HG LYS 36 HG2 LYS 36 12.997 -3.598 9.321 299 1HD LYS 36 HD1 LYS 36 13.285 -5.564 7.698 300 2HD LYS 36 HD2 LYS 36 13.681 -4.358 6.475 301 1HE LYS 36 HE2 LYS 36 15.106 -4.524 9.152 302 2HE LYS 36 HE1 LYS 36 15.702 -5.310 7.678 303 1HZ LYS 36 HZ1 LYS 36 15.336 -2.435 8.235 304 2HZ LYS 36 HZ2 LYS 36 15.262 -3.000 6.634 305 3HZ LYS 36 HZ3 LYS 36 16.672 -3.225 7.553 306 H HIS 37 HN HIS 37 9.549 -1.973 6.599 307 HA HIS 37 HA HIS 37 11.153 0.426 6.498 308 1HB HIS 37 HB1 HIS 37 8.834 -0.742 4.977 309 2HB HIS 37 HB2 HIS 37 9.419 0.877 4.595 310 HD1 HIS 37 HD1 HIS 37 12.203 0.925 4.281 311 HD2 HIS 37 HD2 HIS 37 10.230 -2.685 3.605 312 HE1 HIS 37 HE1 HIS 37 13.775 -0.503 2.902 313 H SER 38 HN SER 38 7.685 -0.114 7.195 314 HA SER 38 HA SER 38 6.892 2.576 7.231 315 1HB SER 38 HB1 SER 38 5.565 0.371 7.323 316 2HB SER 38 HB2 SER 38 5.804 0.440 9.069 317 HG SER 38 HG SER 38 4.848 2.690 7.695 318 H ILE 39 HN ILE 39 7.925 0.582 10.027 319 HA ILE 39 HA ILE 39 8.434 1.268 12.250 320 HB ILE 39 HB ILE 39 10.426 1.633 10.744 321 1HG1 ILE 39 HG12 ILE 39 10.230 3.663 12.982 322 2HG1 ILE 39 HG11 ILE 39 10.448 1.935 13.257 323 1HG2 ILE 39 HG21 ILE 39 10.936 4.160 10.434 324 2HG2 ILE 39 HG22 ILE 39 9.203 4.387 10.655 325 3HG2 ILE 39 HG23 ILE 39 9.799 3.402 9.320 326 1HD1 ILE 39 HD11 ILE 39 12.307 3.083 11.278 327 2HD1 ILE 39 HD12 ILE 39 12.631 1.990 12.624 328 3HD1 ILE 39 HD13 ILE 39 12.502 3.726 12.909 329 H CYS 40 HN CYS 40 5.988 2.576 11.148 330 HA CYS 40 HA CYS 40 6.142 5.174 12.647 331 1HB CYS 40 HB1 CYS 40 4.796 6.131 10.878 332 2HB CYS 40 HB2 CYS 40 6.120 5.256 10.108 333 HG CYS 40 HG CYS 40 4.166 3.217 10.067 334 HA PRO 41 HA PRO 41 2.604 4.165 15.039 335 1HB PRO 41 HB2 PRO 41 0.876 6.257 14.154 336 2HB PRO 41 HB1 PRO 41 1.892 6.245 15.604 337 1HG PRO 41 HG1 PRO 41 2.345 7.531 13.003 338 2HG PRO 41 HG2 PRO 41 3.016 7.923 14.589 339 1HD PRO 41 HD1 PRO 41 4.458 6.773 12.589 340 2HD PRO 41 HD2 PRO 41 4.813 6.531 14.310 341 H SER 42 HN SER 42 2.158 4.845 11.608 342 HA SER 42 HA SER 42 -0.247 3.075 11.542 343 1HB SER 42 HB2 SER 42 0.170 4.011 8.992 344 2HB SER 42 HB1 SER 42 -0.833 4.825 10.195 345 HG SER 42 HG SER 42 1.551 5.565 9.136 346 H GLY 43 HN GLY 43 2.813 2.440 11.778 347 1HA GLY 43 HA1 GLY 43 3.278 0.826 9.366 348 2HA GLY 43 HA2 GLY 43 4.308 0.872 10.801 349 H LYS 44 HN LYS 44 2.855 0.094 12.843 350 HA LYS 44 HA LYS 44 2.372 -2.702 12.519 351 1HB LYS 44 HB2 LYS 44 2.921 -1.534 14.636 352 2HB LYS 44 HB1 LYS 44 1.349 -0.736 14.595 353 1HG LYS 44 HG1 LYS 44 0.231 -2.940 14.673 354 2HG LYS 44 HG2 LYS 44 1.804 -3.736 14.714 355 1HD LYS 44 HD1 LYS 44 2.322 -2.475 16.820 356 2HD LYS 44 HD2 LYS 44 0.674 -1.846 16.800 357 1HE LYS 44 HE2 LYS 44 -0.243 -4.101 16.983 358 2HE LYS 44 HE1 LYS 44 1.380 -4.804 16.849 359 1HZ LYS 44 HZ1 LYS 44 1.878 -3.145 18.780 360 2HZ LYS 44 HZ2 LYS 44 1.148 -4.641 19.123 361 3HZ LYS 44 HZ3 LYS 44 0.205 -3.230 19.045 362 H ARG 45 HN ARG 45 0.157 0.108 12.478 363 HA ARG 45 HA ARG 45 -2.147 -1.705 12.054 364 1HB ARG 45 HB2 ARG 45 -2.520 0.000 13.648 365 2HB ARG 45 HB1 ARG 45 -1.718 1.222 12.663 366 1HG ARG 45 HG2 ARG 45 -4.098 1.602 12.507 367 2HG ARG 45 HG1 ARG 45 -3.557 0.939 10.965 368 1HD ARG 45 HD1 ARG 45 -4.301 -1.319 11.678 369 2HD ARG 45 HD2 ARG 45 -4.850 -0.642 13.222 370 HE ARG 45 HE ARG 45 -5.975 0.905 11.101 371 1HH1 ARG 45 HH11 ARG 45 -6.118 -2.238 12.532 372 2HH1 ARG 45 HH12 ARG 45 -7.764 -2.511 12.072 373 1HH2 ARG 45 HH21 ARG 45 -8.120 0.554 10.495 374 2HH2 ARG 45 HH22 ARG 45 -8.896 -0.935 10.920 375 H GLY 46 HN GLY 46 -0.468 0.967 10.356 376 1HA GLY 46 HA2 GLY 46 -2.211 0.900 8.057 377 2HA GLY 46 HA1 GLY 46 -0.636 1.682 8.117 378 H GLY 47 HN GLY 47 0.587 -0.926 9.042 379 1HA GLY 47 HA2 GLY 47 1.126 -2.081 6.416 380 2HA GLY 47 HA1 GLY 47 1.752 -2.668 7.949 381 H ASP 48 HN ASP 48 -1.470 -2.318 8.445 382 HA ASP 48 HA ASP 48 -2.558 -4.672 7.151 383 1HB ASP 48 HB2 ASP 48 -2.529 -6.085 9.144 384 2HB ASP 48 HB1 ASP 48 -0.877 -5.589 8.781 385 H LEU 49 HN LEU 49 -3.847 -2.475 7.007 386 HA LEU 49 HA LEU 49 -5.213 -1.479 9.325 387 1HB LEU 49 HB1 LEU 49 -5.677 -1.284 6.334 388 2HB LEU 49 HB2 LEU 49 -6.614 -0.361 7.510 389 HG LEU 49 HG LEU 49 -3.643 -0.255 7.769 390 1HD1 LEU 49 HD11 LEU 49 -4.906 0.266 5.276 391 2HD1 LEU 49 HD12 LEU 49 -3.244 0.631 5.737 392 3HD1 LEU 49 HD13 LEU 49 -4.512 1.830 5.990 393 1HD2 LEU 49 HD21 LEU 49 -5.832 1.835 7.928 394 2HD2 LEU 49 HD22 LEU 49 -4.150 2.050 8.418 395 3HD2 LEU 49 HD23 LEU 49 -5.191 0.935 9.304 396 H GLY 50 HN GLY 50 -5.905 -4.079 7.079 397 1HA GLY 50 HA2 GLY 50 -7.469 -5.855 7.621 398 2HA GLY 50 HA1 GLY 50 -8.336 -4.727 8.663 399 H GLU 51 HN GLU 51 -10.360 -4.956 7.634 400 HA GLU 51 HA GLU 51 -10.454 -4.192 4.742 401 1HB GLU 51 HB2 GLU 51 -11.328 -6.433 5.698 402 2HB GLU 51 HB1 GLU 51 -12.648 -5.475 6.371 403 1HG GLU 51 HG2 GLU 51 -13.181 -4.625 4.116 404 2HG GLU 51 HG1 GLU 51 -11.860 -5.581 3.442 405 H PHE 52 HN PHE 52 -11.593 -2.373 4.155 406 HA PHE 52 HA PHE 52 -13.382 -1.037 6.124 407 1HB PHE 52 HB1 PHE 52 -12.056 1.091 5.681 408 2HB PHE 52 HB2 PHE 52 -11.203 -0.132 6.622 409 HD1 PHE 52 HD1 PHE 52 -9.021 -0.626 5.997 410 HD2 PHE 52 HD2 PHE 52 -11.781 0.757 3.003 411 HE1 PHE 52 HE1 PHE 52 -7.214 -0.684 4.305 412 HE2 PHE 52 HE2 PHE 52 -9.973 0.692 1.308 413 HZ PHE 52 HZ PHE 52 -7.687 -0.027 1.957 414 H ARG 53 HN ARG 53 -14.620 0.752 5.055 415 HA ARG 53 HA ARG 53 -15.396 0.059 2.318 416 1HB ARG 53 HB2 ARG 53 -16.092 2.400 4.132 417 2HB ARG 53 HB1 ARG 53 -16.932 1.988 2.639 418 1HG ARG 53 HG1 ARG 53 -17.550 -0.205 3.580 419 2HG ARG 53 HG2 ARG 53 -16.706 0.195 5.076 420 1HD ARG 53 HD2 ARG 53 -18.225 2.167 5.361 421 2HD ARG 53 HD1 ARG 53 -19.115 1.647 3.919 422 HE ARG 53 HE ARG 53 -19.042 -0.643 5.448 423 1HH1 ARG 53 HH11 ARG 53 -19.919 2.648 6.046 424 2HH1 ARG 53 HH12 ARG 53 -21.084 2.249 7.263 425 1HH2 ARG 53 HH21 ARG 53 -20.561 -1.169 7.035 426 2HH2 ARG 53 HH22 ARG 53 -21.447 0.095 7.822 427 H GLN 54 HN GLN 54 -15.212 1.623 0.504 428 HA GLN 54 HA GLN 54 -12.638 2.844 0.221 429 1HB GLN 54 HB2 GLN 54 -13.751 2.196 -1.742 430 2HB GLN 54 HB1 GLN 54 -15.296 2.842 -1.192 431 1HG GLN 54 HG2 GLN 54 -14.454 5.115 -1.443 432 2HG GLN 54 HG1 GLN 54 -12.882 4.505 -1.959 433 1HE2 GLN 54 HE21 GLN 54 -14.565 6.186 -3.636 434 2HE2 GLN 54 HE22 GLN 54 -15.033 5.262 -4.981 435 H GLY 55 HN GLY 55 -11.981 4.746 1.131 436 1HA GLY 55 HA2 GLY 55 -12.368 7.168 1.535 437 2HA GLY 55 HA1 GLY 55 -14.061 6.772 1.828 438 H GLN 56 HN GLN 56 -10.818 5.824 3.107 439 HA GLN 56 HA GLN 56 -12.016 6.064 5.854 440 1HB GLN 56 HB2 GLN 56 -9.788 4.153 5.202 441 2HB GLN 56 HB1 GLN 56 -10.948 4.081 6.523 442 1HG GLN 56 HG1 GLN 56 -11.860 3.753 3.664 443 2HG GLN 56 HG2 GLN 56 -11.260 2.393 4.601 444 1HE2 GLN 56 HE21 GLN 56 -14.044 4.151 3.870 445 2HE2 GLN 56 HE22 GLN 56 -15.018 3.628 5.168 446 H MET 57 HN MET 57 -8.860 5.494 4.335 447 HA MET 57 HA MET 57 -7.713 7.380 6.310 448 1HB MET 57 HB2 MET 57 -7.197 4.948 6.392 449 2HB MET 57 HB1 MET 57 -6.482 5.073 4.785 450 1HG MET 57 HG2 MET 57 -4.786 6.601 5.587 451 2HG MET 57 HG1 MET 57 -5.572 6.721 7.162 452 1HE MET 57 HE1 MET 57 -4.500 4.048 9.228 453 2HE MET 57 HE2 MET 57 -6.080 3.877 8.469 454 3HE MET 57 HE3 MET 57 -5.479 5.481 8.884 455 H VAL 58 HN VAL 58 -6.746 6.151 3.089 456 HA VAL 58 HA VAL 58 -5.647 8.878 2.492 457 HB VAL 58 HB VAL 58 -4.036 7.016 2.996 458 1HG1 VAL 58 HG21 VAL 58 -5.618 5.299 1.876 459 2HG1 VAL 58 HG22 VAL 58 -3.886 5.109 1.601 460 3HG1 VAL 58 HG23 VAL 58 -4.903 5.835 0.356 461 1HG2 VAL 58 HG11 VAL 58 -3.852 8.949 1.092 462 2HG2 VAL 58 HG12 VAL 58 -3.617 7.509 0.101 463 3HG2 VAL 58 HG13 VAL 58 -2.543 7.828 1.464 464 HA PRO 59 HA PRO 59 -8.369 8.840 -1.043 465 1HB PRO 59 HB2 PRO 59 -6.904 10.751 -2.456 466 2HB PRO 59 HB1 PRO 59 -8.173 11.112 -1.272 467 1HG PRO 59 HG1 PRO 59 -5.217 11.131 -0.956 468 2HG PRO 59 HG2 PRO 59 -6.437 12.190 -0.234 469 1HD PRO 59 HD2 PRO 59 -5.222 10.215 1.153 470 2HD PRO 59 HD1 PRO 59 -6.900 10.706 1.468 471 H ALA 60 HN ALA 60 -4.853 9.149 -1.665 472 HA ALA 60 HA ALA 60 -4.551 8.137 -4.193 473 1HB ALA 60 HB1 ALA 60 -2.801 8.812 -2.487 474 2HB ALA 60 HB2 ALA 60 -2.373 7.398 -3.450 475 3HB ALA 60 HB3 ALA 60 -2.950 7.197 -1.796 476 H PHE 61 HN PHE 61 -5.555 6.292 -1.360 477 HA PHE 61 HA PHE 61 -5.133 3.651 -2.340 478 1HB PHE 61 HB2 PHE 61 -5.703 4.128 -0.035 479 2HB PHE 61 HB1 PHE 61 -7.228 4.872 -0.518 480 HD1 PHE 61 HD1 PHE 61 -5.382 1.689 -0.186 481 HD2 PHE 61 HD2 PHE 61 -9.131 3.528 -1.205 482 HE1 PHE 61 HE1 PHE 61 -6.494 -0.530 -0.097 483 HE2 PHE 61 HE2 PHE 61 -10.243 1.310 -1.120 484 HZ PHE 61 HZ PHE 61 -8.925 -0.719 -0.566 485 H ASP 62 HN ASP 62 -7.957 5.820 -2.675 486 HA ASP 62 HA ASP 62 -9.616 4.047 -4.192 487 1HB ASP 62 HB1 ASP 62 -10.344 6.159 -3.138 488 2HB ASP 62 HB2 ASP 62 -9.325 7.068 -4.254 489 H LYS 63 HN LYS 63 -7.089 6.352 -5.155 490 HA LYS 63 HA LYS 63 -7.409 6.207 -7.967 491 1HB LYS 63 HB1 LYS 63 -6.007 7.818 -6.729 492 2HB LYS 63 HB2 LYS 63 -4.922 6.513 -6.253 493 1HG LYS 63 HG1 LYS 63 -4.396 6.080 -8.624 494 2HG LYS 63 HG2 LYS 63 -5.485 7.381 -9.104 495 1HD LYS 63 HD2 LYS 63 -4.112 8.995 -7.826 496 2HD LYS 63 HD1 LYS 63 -3.018 7.691 -7.363 497 1HE LYS 63 HE1 LYS 63 -2.264 7.390 -9.608 498 2HE LYS 63 HE2 LYS 63 -3.609 8.343 -10.265 499 1HZ LYS 63 HZ1 LYS 63 -1.279 9.443 -9.841 500 2HZ LYS 63 HZ2 LYS 63 -1.855 9.562 -8.247 501 3HZ LYS 63 HZ3 LYS 63 -2.707 10.299 -9.519 502 H VAL 64 HN VAL 64 -5.500 4.133 -5.768 503 HA VAL 64 HA VAL 64 -4.430 2.544 -7.970 504 HB VAL 64 HB VAL 64 -3.157 1.505 -6.318 505 1HG1 VAL 64 HG21 VAL 64 -3.848 3.659 -4.414 506 2HG1 VAL 64 HG22 VAL 64 -3.437 4.194 -6.043 507 3HG1 VAL 64 HG23 VAL 64 -2.289 3.230 -5.116 508 1HG2 VAL 64 HG11 VAL 64 -5.325 1.958 -4.246 509 2HG2 VAL 64 HG12 VAL 64 -3.878 0.969 -4.077 510 3HG2 VAL 64 HG13 VAL 64 -5.156 0.477 -5.186 511 H VAL 65 HN VAL 65 -6.945 1.905 -5.473 512 HA VAL 65 HA VAL 65 -7.735 -0.668 -6.463 513 HB VAL 65 HB VAL 65 -8.417 0.872 -4.370 514 1HG1 VAL 65 HG21 VAL 65 -10.759 1.211 -6.270 515 2HG1 VAL 65 HG22 VAL 65 -9.656 2.505 -5.805 516 3HG1 VAL 65 HG23 VAL 65 -10.684 1.746 -4.591 517 1HG2 VAL 65 HG11 VAL 65 -10.412 -1.039 -5.607 518 2HG2 VAL 65 HG12 VAL 65 -10.132 -0.734 -3.893 519 3HG2 VAL 65 HG13 VAL 65 -8.912 -1.575 -4.850 520 H PHE 66 HN PHE 66 -8.161 2.564 -7.674 521 HA PHE 66 HA PHE 66 -10.102 1.695 -9.761 522 1HB PHE 66 HB1 PHE 66 -10.445 3.802 -8.515 523 2HB PHE 66 HB2 PHE 66 -8.856 4.368 -9.032 524 HD1 PHE 66 HD1 PHE 66 -12.312 3.657 -10.103 525 HD2 PHE 66 HD2 PHE 66 -8.436 5.047 -11.339 526 HE1 PHE 66 HE1 PHE 66 -13.297 4.542 -12.203 527 HE2 PHE 66 HE2 PHE 66 -9.421 5.931 -13.438 528 HZ PHE 66 HZ PHE 66 -11.852 5.678 -13.870 529 H SER 67 HN SER 67 -6.786 1.800 -9.266 530 HA SER 67 HA SER 67 -6.058 2.395 -12.067 531 1HB SER 67 HB1 SER 67 -4.813 3.353 -10.128 532 2HB SER 67 HB2 SER 67 -4.381 1.714 -9.640 533 HG SER 67 HG SER 67 -2.838 1.800 -11.029 534 H CYS 68 HN CYS 68 -5.778 -0.220 -9.650 535 HA CYS 68 HA CYS 68 -5.395 -2.154 -11.912 536 1HB CYS 68 HB2 CYS 68 -4.045 -2.142 -9.193 537 2HB CYS 68 HB1 CYS 68 -3.709 -3.252 -10.525 538 HG CYS 68 HG CYS 68 -3.055 -0.910 -11.871 539 HA PRO 69 HA PRO 69 -8.607 -4.460 -9.984 540 1HB PRO 69 HB1 PRO 69 -7.767 -7.003 -10.751 541 2HB PRO 69 HB2 PRO 69 -8.737 -5.904 -11.746 542 1HG PRO 69 HG2 PRO 69 -5.886 -6.592 -11.931 543 2HG PRO 69 HG1 PRO 69 -6.986 -5.989 -13.173 544 1HD PRO 69 HD2 PRO 69 -5.014 -4.510 -11.887 545 2HD PRO 69 HD1 PRO 69 -6.374 -3.844 -12.810 546 H VAL 70 HN VAL 70 -8.933 -5.933 -8.190 547 HA VAL 70 HA VAL 70 -7.020 -5.751 -6.105 548 HB VAL 70 HB VAL 70 -9.449 -6.061 -5.858 549 1HG1 VAL 70 HG11 VAL 70 -10.434 -7.563 -7.219 550 2HG1 VAL 70 HG12 VAL 70 -9.797 -8.823 -6.162 551 3HG1 VAL 70 HG13 VAL 70 -8.888 -8.327 -7.590 552 1HG2 VAL 70 HG21 VAL 70 -7.844 -8.352 -4.685 553 2HG2 VAL 70 HG22 VAL 70 -9.402 -7.785 -4.087 554 3HG2 VAL 70 HG23 VAL 70 -7.987 -6.737 -3.992 555 H LEU 71 HN LEU 71 -6.101 -7.729 -4.955 556 HA LEU 71 HA LEU 71 -4.611 -9.551 -4.954 557 1HB LEU 71 HB2 LEU 71 -6.473 -10.177 -7.253 558 2HB LEU 71 HB1 LEU 71 -5.178 -11.276 -6.786 559 HG LEU 71 HG LEU 71 -6.333 -10.689 -4.358 560 1HD1 LEU 71 HD21 LEU 71 -8.501 -10.101 -4.579 561 2HD1 LEU 71 HD22 LEU 71 -8.784 -11.389 -5.750 562 3HD1 LEU 71 HD23 LEU 71 -8.179 -9.823 -6.291 563 1HD2 LEU 71 HD11 LEU 71 -6.963 -12.950 -4.354 564 2HD2 LEU 71 HD12 LEU 71 -5.698 -12.912 -5.581 565 3HD2 LEU 71 HD13 LEU 71 -7.394 -12.931 -6.065 566 H GLU 72 HN GLU 72 -4.326 -7.043 -6.834 567 HA GLU 72 HA GLU 72 -1.814 -8.081 -8.053 568 1HB GLU 72 HB1 GLU 72 -3.879 -7.792 -9.657 569 2HB GLU 72 HB2 GLU 72 -3.517 -6.071 -9.512 570 1HG GLU 72 HG2 GLU 72 -1.063 -6.804 -10.050 571 2HG GLU 72 HG1 GLU 72 -1.818 -8.269 -10.673 572 HA PRO 73 HA PRO 73 -1.256 -4.668 -5.020 573 1HB PRO 73 HB2 PRO 73 1.547 -5.489 -5.670 574 2HB PRO 73 HB1 PRO 73 0.808 -5.154 -4.092 575 1HG PRO 73 HG1 PRO 73 1.265 -7.654 -4.970 576 2HG PRO 73 HG2 PRO 73 -0.107 -7.244 -3.933 577 1HD PRO 73 HD1 PRO 73 -0.070 -7.986 -6.783 578 2HD PRO 73 HD2 PRO 73 -1.397 -8.074 -5.607 579 H THR 74 HN THR 74 -0.671 -2.510 -5.415 580 HA THR 74 HA THR 74 0.563 -1.900 -8.079 581 HB THR 74 HB THR 74 -1.865 -0.673 -6.730 582 HG1 THR 74 HG1 THR 74 -1.747 -2.776 -8.101 583 1HG2 THR 74 HG21 THR 74 -0.607 0.023 -9.396 584 2HG2 THR 74 HG22 THR 74 -0.439 0.991 -7.931 585 3HG2 THR 74 HG23 THR 74 -2.025 0.780 -8.673 586 H GLY 75 HN GLY 75 2.059 -0.222 -8.016 587 1HA GLY 75 HA1 GLY 75 2.436 2.020 -6.657 588 2HA GLY 75 HA2 GLY 75 2.673 0.884 -5.329 589 HA PRO 76 HA PRO 76 4.007 2.161 -4.540 590 1HB PRO 76 HB1 PRO 76 6.126 3.864 -4.220 591 2HB PRO 76 HB2 PRO 76 6.116 2.200 -3.612 592 1HG PRO 76 HG2 PRO 76 7.499 3.352 -5.954 593 2HG PRO 76 HG1 PRO 76 7.947 1.971 -4.942 594 1HD PRO 76 HD1 PRO 76 6.770 1.862 -7.487 595 2HD PRO 76 HD2 PRO 76 6.930 0.519 -6.344 596 H LEU 77 HN LEU 77 2.651 3.918 -4.665 597 HA LEU 77 HA LEU 77 2.725 5.524 -7.149 598 1HB LEU 77 HB2 LEU 77 0.686 4.351 -6.415 599 2HB LEU 77 HB1 LEU 77 0.707 5.254 -4.899 600 HG LEU 77 HG LEU 77 0.597 7.378 -6.271 601 1HD1 LEU 77 HD11 LEU 77 0.772 7.273 -8.513 602 2HD1 LEU 77 HD12 LEU 77 -0.579 6.143 -8.599 603 3HD1 LEU 77 HD13 LEU 77 1.063 5.540 -8.372 604 1HD2 LEU 77 HD21 LEU 77 -1.429 5.574 -5.523 605 2HD2 LEU 77 HD22 LEU 77 -1.849 6.093 -7.155 606 3HD2 LEU 77 HD23 LEU 77 -1.623 7.290 -5.880 607 H HIS 78 HN HIS 78 2.481 7.860 -7.086 608 HA HIS 78 HA HIS 78 4.062 9.166 -5.002 609 1HB HIS 78 HB1 HIS 78 4.145 9.761 -7.397 610 2HB HIS 78 HB2 HIS 78 2.437 10.203 -7.350 611 HD1 HIS 78 HD1 HIS 78 5.747 11.615 -6.927 612 HD2 HIS 78 HD2 HIS 78 1.966 12.423 -5.370 613 HE1 HIS 78 HE1 HIS 78 5.851 13.959 -5.974 614 H THR 79 HN THR 79 3.215 10.000 -3.134 615 HA THR 79 HA THR 79 0.418 11.038 -3.156 616 HB THR 79 HB THR 79 0.457 8.690 -2.279 617 HG1 THR 79 HG1 THR 79 -1.022 10.220 -1.452 618 1HG2 THR 79 HG21 THR 79 2.641 9.874 -0.659 619 2HG2 THR 79 HG22 THR 79 2.419 8.213 -1.210 620 3HG2 THR 79 HG23 THR 79 1.542 8.798 0.203 621 H GLN 80 HN GLN 80 0.060 12.602 -1.388 622 HA GLN 80 HA GLN 80 2.184 14.451 -1.092 623 1HB GLN 80 HB1 GLN 80 0.627 15.598 0.369 624 2HB GLN 80 HB2 GLN 80 -0.304 14.816 -0.910 625 1HG GLN 80 HG2 GLN 80 -0.839 12.949 0.575 626 2HG GLN 80 HG1 GLN 80 0.168 13.641 1.847 627 1HE2 GLN 80 HE21 GLN 80 -2.688 13.157 2.154 628 2HE2 GLN 80 HE22 GLN 80 -3.442 14.665 2.350 629 H PHE 81 HN PHE 81 1.330 11.676 0.887 630 HA PHE 81 HA PHE 81 2.876 12.542 3.217 631 1HB PHE 81 HB2 PHE 81 1.558 9.962 2.330 632 2HB PHE 81 HB1 PHE 81 2.362 10.139 3.889 633 HD1 PHE 81 HD1 PHE 81 -0.757 10.079 2.533 634 HD2 PHE 81 HD2 PHE 81 1.690 12.680 4.925 635 HE1 PHE 81 HE1 PHE 81 -2.797 11.144 3.463 636 HE2 PHE 81 HE2 PHE 81 -0.349 13.746 5.854 637 HZ PHE 81 HZ PHE 81 -2.593 12.977 5.123 638 H GLY 82 HN GLY 82 3.690 11.186 0.203 639 1HA GLY 82 HA2 GLY 82 6.344 10.965 0.138 640 2HA GLY 82 HA1 GLY 82 5.996 9.671 1.286 641 H TYR 83 HN TYR 83 6.135 7.757 0.203 642 HA TYR 83 HA TYR 83 4.711 7.561 -2.434 643 1HB TYR 83 HB1 TYR 83 7.118 6.101 -1.304 644 2HB TYR 83 HB2 TYR 83 6.291 5.602 -2.781 645 HD1 TYR 83 HD1 TYR 83 6.360 6.994 -4.803 646 HD2 TYR 83 HD2 TYR 83 8.416 8.163 -1.213 647 HE1 TYR 83 HE1 TYR 83 7.643 8.686 -6.088 648 HE2 TYR 83 HE2 TYR 83 9.698 9.854 -2.497 649 HH TYR 83 HH TYR 83 10.146 10.679 -4.513 650 H HIS 84 HN HIS 84 3.026 6.101 -2.471 651 HA HIS 84 HA HIS 84 2.683 4.320 -0.077 652 1HB HIS 84 HB2 HIS 84 0.774 5.838 -1.856 653 2HB HIS 84 HB1 HIS 84 0.219 4.433 -0.951 654 HD1 HIS 84 HD1 HIS 84 -0.968 7.098 -0.176 655 HD2 HIS 84 HD2 HIS 84 2.529 5.625 1.549 656 HE1 HIS 84 HE1 HIS 84 -0.724 8.270 2.052 657 H ILE 85 HN ILE 85 2.860 2.172 -0.515 658 HA ILE 85 HA ILE 85 2.129 1.254 -3.283 659 HB ILE 85 HB ILE 85 4.543 0.972 -2.476 660 1HG1 ILE 85 HG12 ILE 85 3.371 -1.744 -2.906 661 2HG1 ILE 85 HG11 ILE 85 3.106 -0.526 -4.154 662 1HG2 ILE 85 HG21 ILE 85 3.427 -1.285 -0.827 663 2HG2 ILE 85 HG22 ILE 85 3.643 0.320 -0.129 664 3HG2 ILE 85 HG23 ILE 85 5.034 -0.560 -0.764 665 1HD1 ILE 85 HD11 ILE 85 5.871 -0.839 -3.054 666 2HD1 ILE 85 HD12 ILE 85 5.357 -0.376 -4.679 667 3HD1 ILE 85 HD13 ILE 85 5.280 -2.065 -4.175 668 H ILE 86 HN ILE 86 0.206 0.193 -3.258 669 HA ILE 86 HA ILE 86 -0.788 -0.831 -0.628 670 HB ILE 86 HB ILE 86 -2.204 0.251 -3.084 671 1HG1 ILE 86 HG11 ILE 86 -1.867 1.513 -0.351 672 2HG1 ILE 86 HG12 ILE 86 -0.819 1.878 -1.723 673 1HG2 ILE 86 HG21 ILE 86 -4.229 0.069 -1.882 674 2HG2 ILE 86 HG22 ILE 86 -3.396 -0.175 -0.346 675 3HG2 ILE 86 HG23 ILE 86 -3.408 -1.458 -1.556 676 1HD1 ILE 86 HD11 ILE 86 -2.639 2.771 -2.994 677 2HD1 ILE 86 HD12 ILE 86 -2.797 3.462 -1.378 678 3HD1 ILE 86 HD13 ILE 86 -3.832 2.121 -1.870 679 H LYS 87 HN LYS 87 -1.304 -2.962 -0.479 680 HA LYS 87 HA LYS 87 -1.555 -4.604 -2.961 681 1HB LYS 87 HB2 LYS 87 -0.070 -5.398 -1.147 682 2HB LYS 87 HB1 LYS 87 -1.419 -5.329 -0.012 683 1HG LYS 87 HG2 LYS 87 -2.627 -7.026 -1.270 684 2HG LYS 87 HG1 LYS 87 -1.389 -7.026 -2.526 685 1HD LYS 87 HD2 LYS 87 -0.841 -7.723 0.372 686 2HD LYS 87 HD1 LYS 87 -1.182 -8.923 -0.874 687 1HE LYS 87 HE1 LYS 87 0.910 -6.960 -1.607 688 2HE LYS 87 HE2 LYS 87 1.340 -8.049 -0.274 689 1HZ LYS 87 HZ1 LYS 87 0.404 -9.885 -1.685 690 2HZ LYS 87 HZ2 LYS 87 1.840 -9.196 -2.277 691 3HZ LYS 87 HZ3 LYS 87 0.347 -8.787 -2.976 692 H VAL 88 HN VAL 88 -3.611 -4.994 -3.678 693 HA VAL 88 HA VAL 88 -5.878 -4.245 -1.894 694 HB VAL 88 HB VAL 88 -5.635 -4.659 -4.893 695 1HG1 VAL 88 HG11 VAL 88 -7.811 -3.065 -4.496 696 2HG1 VAL 88 HG12 VAL 88 -7.908 -4.110 -3.078 697 3HG1 VAL 88 HG13 VAL 88 -7.903 -4.815 -4.696 698 1HG2 VAL 88 HG21 VAL 88 -6.199 -1.966 -4.091 699 2HG2 VAL 88 HG22 VAL 88 -4.787 -2.577 -4.954 700 3HG2 VAL 88 HG23 VAL 88 -4.793 -2.534 -3.191 701 H LEU 89 HN LEU 89 -7.299 -5.807 -1.189 702 HA LEU 89 HA LEU 89 -7.291 -8.450 -2.530 703 1HB LEU 89 HB2 LEU 89 -7.359 -7.874 0.454 704 2HB LEU 89 HB1 LEU 89 -7.239 -9.460 -0.305 705 HG LEU 89 HG LEU 89 -5.181 -7.255 -0.616 706 1HD1 LEU 89 HD11 LEU 89 -4.382 -7.891 1.388 707 2HD1 LEU 89 HD12 LEU 89 -4.139 -9.515 0.745 708 3HD1 LEU 89 HD13 LEU 89 -5.657 -9.100 1.543 709 1HD2 LEU 89 HD21 LEU 89 -4.255 -9.930 -1.124 710 2HD2 LEU 89 HD22 LEU 89 -4.300 -8.556 -2.227 711 3HD2 LEU 89 HD23 LEU 89 -5.696 -9.625 -2.092 712 H TYR 90 HN TYR 90 -9.365 -9.512 -2.303 713 HA TYR 90 HA TYR 90 -11.700 -9.691 -2.071 714 1HB TYR 90 HB2 TYR 90 -10.674 -8.053 0.158 715 2HB TYR 90 HB1 TYR 90 -12.395 -7.841 -0.165 716 HD1 TYR 90 HD1 TYR 90 -9.966 -9.848 1.465 717 HD2 TYR 90 HD2 TYR 90 -13.754 -10.072 -0.557 718 HE1 TYR 90 HE1 TYR 90 -10.429 -12.022 2.572 719 HE2 TYR 90 HE2 TYR 90 -14.217 -12.244 0.551 720 HH TYR 90 HH TYR 90 -12.554 -14.171 1.585 721 H ARG 91 HN ARG 91 -10.906 -6.201 -1.705 722 HA ARG 91 HA ARG 91 -11.733 -4.332 -2.900 723 1HB ARG 91 HB1 ARG 91 -10.894 -6.036 -4.697 724 2HB ARG 91 HB2 ARG 91 -12.609 -6.306 -4.999 725 1HG ARG 91 HG1 ARG 91 -12.176 -3.485 -4.834 726 2HG ARG 91 HG2 ARG 91 -10.973 -4.158 -5.934 727 1HD ARG 91 HD1 ARG 91 -13.710 -5.244 -6.281 728 2HD ARG 91 HD2 ARG 91 -13.516 -3.533 -6.708 729 HE ARG 91 HE ARG 91 -11.274 -4.844 -7.777 730 1HH1 ARG 91 HH11 ARG 91 -14.717 -4.979 -8.057 731 2HH1 ARG 91 HH12 ARG 91 -14.688 -5.548 -9.691 732 1HH2 ARG 91 HH21 ARG 91 -11.229 -5.588 -9.905 733 2HH2 ARG 91 HH22 ARG 91 -12.718 -5.893 -10.737 734 H ASN 92 HN ASN 92 -13.893 -3.630 -4.113 735 HA ASN 92 HA ASN 92 -16.165 -4.742 -2.517 736 1HB ASN 92 HB1 ASN 92 -15.489 -2.351 -2.260 737 2HB ASN 92 HB2 ASN 92 -15.817 -2.100 -3.974 738 1HD2 ASN 92 HD21 ASN 92 -17.499 -0.499 -3.171 739 2HD2 ASN 92 HD22 ASN 92 -19.017 -1.089 -2.689 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 -18.508 -2.053 -4.877 2 2H ALA 1 HT2 ALA 1 -17.269 -0.898 -4.755 3 3H ALA 1 HT3 ALA 1 -18.701 -0.709 -3.860 4 HA ALA 1 HA ALA 1 -17.939 -3.096 -2.960 5 1HB ALA 1 HB1 ALA 1 -15.973 -3.155 -4.352 6 2HB ALA 1 HB2 ALA 1 -15.416 -2.837 -2.708 7 3HB ALA 1 HB3 ALA 1 -15.518 -1.519 -3.875 8 H LYS 2 HN LYS 2 -18.958 -2.368 -1.083 9 HA LYS 2 HA LYS 2 -18.696 0.207 0.075 10 1HB LYS 2 HB2 LYS 2 -20.446 -1.545 0.509 11 2HB LYS 2 HB1 LYS 2 -19.254 -2.438 1.455 12 1HG LYS 2 HG1 LYS 2 -19.020 -0.563 3.001 13 2HG LYS 2 HG2 LYS 2 -20.108 0.418 2.019 14 1HD LYS 2 HD2 LYS 2 -21.526 -0.400 3.706 15 2HD LYS 2 HD1 LYS 2 -21.805 -1.530 2.381 16 1HE LYS 2 HE1 LYS 2 -21.375 -3.090 4.026 17 2HE LYS 2 HE2 LYS 2 -19.687 -2.734 3.614 18 1HZ LYS 2 HZ1 LYS 2 -21.341 -1.466 5.735 19 2HZ LYS 2 HZ2 LYS 2 -19.839 -0.852 5.232 20 3HZ LYS 2 HZ3 LYS 2 -19.933 -2.389 5.948 21 H THR 3 HN THR 3 -16.864 -2.784 0.704 22 HA THR 3 HA THR 3 -14.774 -1.124 2.052 23 HB THR 3 HB THR 3 -14.686 -2.988 3.785 24 HG1 THR 3 HG1 THR 3 -17.251 -3.598 2.774 25 1HG2 THR 3 HG21 THR 3 -16.834 -2.205 4.912 26 2HG2 THR 3 HG22 THR 3 -17.151 -1.269 3.451 27 3HG2 THR 3 HG23 THR 3 -15.719 -0.930 4.423 28 H ALA 4 HN ALA 4 -12.645 -2.033 1.887 29 HA ALA 4 HA ALA 4 -12.394 -4.495 0.195 30 1HB ALA 4 HB1 ALA 4 -12.128 -2.342 -1.073 31 2HB ALA 4 HB2 ALA 4 -10.664 -3.328 -1.076 32 3HB ALA 4 HB3 ALA 4 -10.784 -1.929 -0.008 33 H ALA 5 HN ALA 5 -10.354 -5.646 0.551 34 HA ALA 5 HA ALA 5 -9.182 -5.202 3.252 35 1HB ALA 5 HB1 ALA 5 -9.612 -7.400 1.364 36 2HB ALA 5 HB2 ALA 5 -9.336 -7.466 3.106 37 3HB ALA 5 HB3 ALA 5 -7.967 -7.385 1.999 38 H ALA 6 HN ALA 6 -7.282 -4.056 3.404 39 HA ALA 6 HA ALA 6 -5.633 -3.781 0.907 40 1HB ALA 6 HB1 ALA 6 -6.011 -1.533 0.939 41 2HB ALA 6 HB2 ALA 6 -5.982 -1.451 2.698 42 3HB ALA 6 HB3 ALA 6 -7.437 -1.995 1.864 43 H LEU 7 HN LEU 7 -3.500 -4.006 1.210 44 HA LEU 7 HA LEU 7 -2.314 -3.659 3.946 45 1HB LEU 7 HB1 LEU 7 -1.243 -4.970 1.421 46 2HB LEU 7 HB2 LEU 7 -0.440 -4.958 2.991 47 HG LEU 7 HG LEU 7 -3.155 -6.189 2.420 48 1HD1 LEU 7 HD11 LEU 7 -0.399 -7.198 2.261 49 2HD1 LEU 7 HD12 LEU 7 -1.884 -7.877 1.596 50 3HD1 LEU 7 HD13 LEU 7 -1.451 -8.183 3.278 51 1HD2 LEU 7 HD21 LEU 7 -1.413 -6.278 4.902 52 2HD2 LEU 7 HD22 LEU 7 -2.982 -7.057 4.704 53 3HD2 LEU 7 HD23 LEU 7 -2.868 -5.296 4.726 54 H HIS 8 HN HIS 8 -0.771 -1.953 4.169 55 HA HIS 8 HA HIS 8 -0.160 -0.418 1.655 56 1HB HIS 8 HB1 HIS 8 -1.090 0.641 4.348 57 2HB HIS 8 HB2 HIS 8 -0.599 1.643 2.983 58 HD1 HIS 8 HD1 HIS 8 -3.558 1.373 4.299 59 HD2 HIS 8 HD2 HIS 8 -2.253 -0.223 0.680 60 HE1 HIS 8 HE1 HIS 8 -5.630 1.009 2.891 61 H ILE 9 HN ILE 9 1.819 0.672 1.627 62 HA ILE 9 HA ILE 9 3.471 0.638 4.104 63 HB ILE 9 HB ILE 9 4.398 -0.208 1.344 64 1HG1 ILE 9 HG11 ILE 9 4.381 -1.782 3.919 65 2HG1 ILE 9 HG12 ILE 9 3.099 -1.898 2.716 66 1HG2 ILE 9 HG21 ILE 9 6.065 1.151 2.601 67 2HG2 ILE 9 HG22 ILE 9 6.589 -0.518 2.372 68 3HG2 ILE 9 HG23 ILE 9 5.955 0.000 3.934 69 1HD1 ILE 9 HD11 ILE 9 4.429 -3.015 1.208 70 2HD1 ILE 9 HD12 ILE 9 5.251 -3.518 2.683 71 3HD1 ILE 9 HD13 ILE 9 5.895 -2.184 1.727 72 H LEU 10 HN LEU 10 4.288 2.663 4.434 73 HA LEU 10 HA LEU 10 4.149 4.660 2.226 74 1HB LEU 10 HB2 LEU 10 3.146 4.872 4.629 75 2HB LEU 10 HB1 LEU 10 4.813 5.161 5.129 76 HG LEU 10 HG LEU 10 3.109 6.806 3.253 77 1HD1 LEU 10 HD11 LEU 10 4.270 7.060 5.952 78 2HD1 LEU 10 HD12 LEU 10 2.869 7.869 5.249 79 3HD1 LEU 10 HD13 LEU 10 4.493 8.479 4.930 80 1HD2 LEU 10 HD21 LEU 10 5.221 6.543 2.095 81 2HD2 LEU 10 HD22 LEU 10 6.124 6.839 3.583 82 3HD2 LEU 10 HD23 LEU 10 5.202 8.144 2.835 83 H VAL 11 HN VAL 11 6.051 5.111 1.184 84 HA VAL 11 HA VAL 11 8.626 4.610 2.646 85 HB VAL 11 HB VAL 11 8.295 4.748 -0.350 86 1HG1 VAL 11 HG21 VAL 11 10.331 3.852 1.620 87 2HG1 VAL 11 HG22 VAL 11 10.549 4.592 0.035 88 3HG1 VAL 11 HG23 VAL 11 10.170 2.875 0.162 89 1HG2 VAL 11 HG11 VAL 11 7.529 2.534 1.524 90 2HG2 VAL 11 HG12 VAL 11 8.258 2.119 -0.028 91 3HG2 VAL 11 HG13 VAL 11 6.755 3.041 0.022 92 H LYS 12 HN LYS 12 9.862 6.404 2.989 93 HA LYS 12 HA LYS 12 8.954 9.040 2.253 94 1HB LYS 12 HB1 LYS 12 11.605 7.991 3.298 95 2HB LYS 12 HB2 LYS 12 11.119 9.686 3.305 96 1HG LYS 12 HG2 LYS 12 9.516 7.490 4.643 97 2HG LYS 12 HG1 LYS 12 10.721 8.462 5.489 98 1HD LYS 12 HD2 LYS 12 9.488 10.514 4.900 99 2HD LYS 12 HD1 LYS 12 8.288 9.551 4.038 100 1HE LYS 12 HE1 LYS 12 7.291 9.868 6.164 101 2HE LYS 12 HE2 LYS 12 8.056 8.276 6.329 102 1HZ LYS 12 HZ1 LYS 12 10.111 9.637 7.007 103 2HZ LYS 12 HZ2 LYS 12 8.868 9.455 8.150 104 3HZ LYS 12 HZ3 LYS 12 9.020 10.906 7.281 105 H GLU 13 HN GLU 13 11.536 6.917 0.996 106 HA GLU 13 HA GLU 13 12.010 8.918 -1.187 107 1HB GLU 13 HB1 GLU 13 13.733 6.818 0.150 108 2HB GLU 13 HB2 GLU 13 14.241 7.695 -1.293 109 1HG GLU 13 HG1 GLU 13 14.114 9.808 -0.138 110 2HG GLU 13 HG2 GLU 13 13.354 9.055 1.263 111 H GLU 14 HN GLU 14 11.827 8.242 -3.303 112 HA GLU 14 HA GLU 14 10.372 5.889 -4.019 113 1HB GLU 14 HB2 GLU 14 10.590 7.964 -5.359 114 2HB GLU 14 HB1 GLU 14 12.301 7.618 -5.608 115 1HG GLU 14 HG1 GLU 14 11.709 5.506 -6.743 116 2HG GLU 14 HG2 GLU 14 9.997 5.856 -6.493 117 H LYS 15 HN LYS 15 13.875 6.596 -4.018 118 HA LYS 15 HA LYS 15 14.828 4.188 -5.179 119 1HB LYS 15 HB1 LYS 15 16.152 6.223 -4.678 120 2HB LYS 15 HB2 LYS 15 15.981 5.908 -2.952 121 1HG LYS 15 HG2 LYS 15 17.170 3.760 -3.223 122 2HG LYS 15 HG1 LYS 15 17.342 4.074 -4.951 123 1HD LYS 15 HD2 LYS 15 18.584 6.177 -4.395 124 2HD LYS 15 HD1 LYS 15 18.501 5.735 -2.690 125 1HE LYS 15 HE1 LYS 15 19.986 3.943 -2.950 126 2HE LYS 15 HE2 LYS 15 19.623 3.765 -4.677 127 1HZ LYS 15 HZ1 LYS 15 20.985 6.099 -3.425 128 2HZ LYS 15 HZ2 LYS 15 20.645 5.918 -5.079 129 3HZ LYS 15 HZ3 LYS 15 21.760 4.885 -4.320 130 H LEU 16 HN LEU 16 14.058 4.930 -1.761 131 HA LEU 16 HA LEU 16 14.842 2.347 -0.737 132 1HB LEU 16 HB2 LEU 16 14.526 4.527 0.515 133 2HB LEU 16 HB1 LEU 16 12.784 4.299 0.342 134 HG LEU 16 HG LEU 16 14.287 1.966 1.392 135 1HD1 LEU 16 HD11 LEU 16 15.472 3.411 2.772 136 2HD1 LEU 16 HD12 LEU 16 14.011 3.179 3.733 137 3HD1 LEU 16 HD13 LEU 16 14.201 4.635 2.754 138 1HD2 LEU 16 HD21 LEU 16 11.728 2.336 1.095 139 2HD2 LEU 16 HD22 LEU 16 11.858 3.315 2.556 140 3HD2 LEU 16 HD23 LEU 16 12.296 1.607 2.597 141 H ALA 17 HN ALA 17 11.716 3.710 -1.802 142 HA ALA 17 HA ALA 17 10.091 1.392 -1.309 143 1HB ALA 17 HB1 ALA 17 9.757 3.252 -3.655 144 2HB ALA 17 HB2 ALA 17 9.561 3.866 -2.013 145 3HB ALA 17 HB3 ALA 17 8.518 2.571 -2.600 146 H LEU 18 HN LEU 18 11.926 2.460 -4.179 147 HA LEU 18 HA LEU 18 11.408 0.190 -5.852 148 1HB LEU 18 HB2 LEU 18 13.684 2.169 -5.569 149 2HB LEU 18 HB1 LEU 18 13.592 1.006 -6.889 150 HG LEU 18 HG LEU 18 11.607 3.198 -6.231 151 1HD1 LEU 18 HD21 LEU 18 13.314 2.597 -8.662 152 2HD1 LEU 18 HD22 LEU 18 13.577 3.904 -7.509 153 3HD1 LEU 18 HD23 LEU 18 12.149 3.914 -8.544 154 1HD2 LEU 18 HD11 LEU 18 11.284 0.648 -7.668 155 2HD2 LEU 18 HD12 LEU 18 10.783 2.062 -8.595 156 3HD2 LEU 18 HD13 LEU 18 10.057 1.736 -7.021 157 H ASP 19 HN ASP 19 13.895 0.837 -3.389 158 HA ASP 19 HA ASP 19 15.388 -1.603 -3.661 159 1HB ASP 19 HB2 ASP 19 16.063 0.395 -2.355 160 2HB ASP 19 HB1 ASP 19 14.718 0.111 -1.246 161 H LEU 20 HN LEU 20 12.484 -0.713 -1.823 162 HA LEU 20 HA LEU 20 12.023 -3.264 -0.559 163 1HB LEU 20 HB1 LEU 20 10.842 -1.494 0.361 164 2HB LEU 20 HB2 LEU 20 10.591 -0.718 -1.199 165 HG LEU 20 HG LEU 20 8.993 -2.696 -1.710 166 1HD1 LEU 20 HD11 LEU 20 9.664 -4.182 0.094 167 2HD1 LEU 20 HD12 LEU 20 7.997 -3.680 0.377 168 3HD1 LEU 20 HD13 LEU 20 9.309 -2.942 1.296 169 1HD2 LEU 20 HD21 LEU 20 7.161 -1.598 -0.366 170 2HD2 LEU 20 HD22 LEU 20 8.135 -0.482 -1.325 171 3HD2 LEU 20 HD23 LEU 20 8.407 -0.619 0.411 172 H LEU 21 HN LEU 21 11.081 -1.805 -3.658 173 HA LEU 21 HA LEU 21 9.312 -3.850 -4.565 174 1HB LEU 21 HB2 LEU 21 10.869 -1.593 -5.622 175 2HB LEU 21 HB1 LEU 21 10.620 -2.875 -6.807 176 HG LEU 21 HG LEU 21 8.225 -2.785 -6.493 177 1HD1 LEU 21 HD11 LEU 21 7.167 -1.304 -4.886 178 2HD1 LEU 21 HD12 LEU 21 8.729 -0.661 -4.386 179 3HD1 LEU 21 HD13 LEU 21 8.306 -2.339 -4.030 180 1HD2 LEU 21 HD21 LEU 21 7.762 -0.588 -7.353 181 2HD2 LEU 21 HD22 LEU 21 9.363 -1.038 -7.940 182 3HD2 LEU 21 HD23 LEU 21 9.203 0.079 -6.585 183 H GLU 22 HN GLU 22 12.834 -3.483 -4.875 184 HA GLU 22 HA GLU 22 13.366 -5.892 -6.347 185 1HB GLU 22 HB1 GLU 22 14.951 -4.019 -5.941 186 2HB GLU 22 HB2 GLU 22 14.992 -4.443 -4.229 187 1HG GLU 22 HG2 GLU 22 15.854 -6.691 -4.817 188 2HG GLU 22 HG1 GLU 22 15.841 -6.239 -6.522 189 H GLN 23 HN GLN 23 13.046 -5.220 -2.864 190 HA GLN 23 HA GLN 23 13.890 -7.739 -1.864 191 1HB GLN 23 HB2 GLN 23 11.937 -5.642 -0.892 192 2HB GLN 23 HB1 GLN 23 12.462 -6.995 0.109 193 1HG GLN 23 HG1 GLN 23 14.811 -6.287 -0.167 194 2HG GLN 23 HG2 GLN 23 14.285 -4.933 -1.164 195 1HE2 GLN 23 HE21 GLN 23 11.798 -4.759 0.738 196 2HE2 GLN 23 HE22 GLN 23 12.401 -3.913 2.078 197 H ILE 24 HN ILE 24 10.644 -6.634 -2.864 198 HA ILE 24 HA ILE 24 9.235 -8.981 -2.001 199 HB ILE 24 HB ILE 24 8.690 -6.927 -4.171 200 1HG1 ILE 24 HG11 ILE 24 7.605 -7.123 -1.348 201 2HG1 ILE 24 HG12 ILE 24 8.997 -6.132 -1.783 202 1HG2 ILE 24 HG21 ILE 24 6.368 -8.138 -2.907 203 2HG2 ILE 24 HG22 ILE 24 7.365 -9.358 -3.701 204 3HG2 ILE 24 HG23 ILE 24 6.748 -7.987 -4.623 205 1HD1 ILE 24 HD11 ILE 24 6.372 -5.866 -3.250 206 2HD1 ILE 24 HD12 ILE 24 7.700 -4.709 -3.157 207 3HD1 ILE 24 HD13 ILE 24 6.673 -4.988 -1.750 208 H LYS 25 HN LYS 25 10.770 -8.106 -5.099 209 HA LYS 25 HA LYS 25 9.977 -10.469 -6.542 210 1HB LYS 25 HB2 LYS 25 12.333 -8.565 -6.727 211 2HB LYS 25 HB1 LYS 25 11.971 -9.789 -7.944 212 1HG LYS 25 HG1 LYS 25 9.744 -8.787 -8.294 213 2HG LYS 25 HG2 LYS 25 10.101 -7.563 -7.075 214 1HD LYS 25 HD2 LYS 25 12.005 -6.768 -8.433 215 2HD LYS 25 HD1 LYS 25 11.647 -7.992 -9.651 216 1HE LYS 25 HE1 LYS 25 9.856 -5.679 -8.821 217 2HE LYS 25 HE2 LYS 25 10.634 -5.916 -10.397 218 1HZ LYS 25 HZ1 LYS 25 8.492 -7.527 -9.135 219 2HZ LYS 25 HZ2 LYS 25 9.459 -8.165 -10.376 220 3HZ LYS 25 HZ3 LYS 25 8.493 -6.797 -10.666 221 H ASN 26 HN ASN 26 13.048 -9.657 -4.868 222 HA ASN 26 HA ASN 26 14.248 -12.241 -5.080 223 1HB ASN 26 HB2 ASN 26 14.508 -9.895 -3.191 224 2HB ASN 26 HB1 ASN 26 15.524 -11.325 -3.030 225 1HD2 ASN 26 HD21 ASN 26 16.526 -12.008 -5.326 226 2HD2 ASN 26 HD22 ASN 26 17.159 -10.722 -6.236 227 H GLY 27 HN GLY 27 12.212 -10.813 -2.509 228 1HA GLY 27 HA2 GLY 27 12.209 -13.458 -1.142 229 2HA GLY 27 HA1 GLY 27 11.826 -11.917 -0.373 230 H ALA 28 HN ALA 28 9.911 -10.783 -1.695 231 HA ALA 28 HA ALA 28 7.653 -10.883 -2.448 232 1HB ALA 28 HB1 ALA 28 6.812 -12.873 -3.322 233 2HB ALA 28 HB2 ALA 28 7.627 -13.864 -2.112 234 3HB ALA 28 HB3 ALA 28 8.547 -13.170 -3.448 235 H ASP 29 HN ASP 29 7.168 -9.863 -0.459 236 HA ASP 29 HA ASP 29 5.567 -11.361 1.448 237 1HB ASP 29 HB2 ASP 29 8.485 -11.144 1.682 238 2HB ASP 29 HB1 ASP 29 7.632 -10.622 3.139 239 H PHE 30 HN PHE 30 4.348 -9.365 0.728 240 HA PHE 30 HA PHE 30 5.232 -6.715 1.139 241 1HB PHE 30 HB1 PHE 30 2.663 -8.174 0.819 242 2HB PHE 30 HB2 PHE 30 2.545 -6.541 1.476 243 HD1 PHE 30 HD1 PHE 30 3.170 -8.543 -1.496 244 HD2 PHE 30 HD2 PHE 30 3.574 -4.616 0.210 245 HE1 PHE 30 HE1 PHE 30 3.494 -7.591 -3.762 246 HE2 PHE 30 HE2 PHE 30 3.898 -3.665 -2.059 247 HZ PHE 30 HZ PHE 30 3.857 -5.152 -4.045 248 H GLY 31 HN GLY 31 3.525 -8.896 3.393 249 1HA GLY 31 HA1 GLY 31 3.024 -6.954 5.404 250 2HA GLY 31 HA2 GLY 31 3.124 -8.689 5.695 251 H LYS 32 HN LYS 32 5.721 -9.306 5.185 252 HA LYS 32 HA LYS 32 7.028 -8.431 7.567 253 1HB LYS 32 HB2 LYS 32 7.950 -9.827 5.042 254 2HB LYS 32 HB1 LYS 32 8.976 -9.649 6.465 255 1HG LYS 32 HG1 LYS 32 7.285 -10.825 7.829 256 2HG LYS 32 HG2 LYS 32 6.260 -11.003 6.406 257 1HD LYS 32 HD2 LYS 32 8.043 -12.304 5.290 258 2HD LYS 32 HD1 LYS 32 9.058 -12.133 6.723 259 1HE LYS 32 HE1 LYS 32 7.161 -13.241 8.040 260 2HE LYS 32 HE2 LYS 32 6.448 -13.652 6.468 261 1HZ LYS 32 HZ1 LYS 32 8.018 -15.362 7.361 262 2HZ LYS 32 HZ2 LYS 32 9.270 -14.224 7.205 263 3HZ LYS 32 HZ3 LYS 32 8.438 -14.769 5.829 264 H LEU 33 HN LEU 33 7.456 -7.470 4.161 265 HA LEU 33 HA LEU 33 9.729 -5.763 4.582 266 1HB LEU 33 HB2 LEU 33 7.521 -5.899 2.509 267 2HB LEU 33 HB1 LEU 33 8.917 -4.831 2.354 268 HG LEU 33 HG LEU 33 9.033 -7.851 2.652 269 1HD1 LEU 33 HD11 LEU 33 8.463 -6.313 0.392 270 2HD1 LEU 33 HD12 LEU 33 9.028 -7.984 0.399 271 3HD1 LEU 33 HD13 LEU 33 10.186 -6.662 0.254 272 1HD2 LEU 33 HD21 LEU 33 11.051 -5.674 2.766 273 2HD2 LEU 33 HD22 LEU 33 11.488 -7.090 1.810 274 3HD2 LEU 33 HD23 LEU 33 11.074 -7.272 3.514 275 H ALA 34 HN ALA 34 6.217 -5.148 4.616 276 HA ALA 34 HA ALA 34 6.260 -2.322 4.838 277 1HB ALA 34 HB1 ALA 34 3.997 -2.633 5.593 278 2HB ALA 34 HB2 ALA 34 4.362 -4.245 6.208 279 3HB ALA 34 HB3 ALA 34 4.329 -3.951 4.470 280 H LYS 35 HN LYS 35 6.152 -4.793 7.441 281 HA LYS 35 HA LYS 35 6.214 -2.986 9.634 282 1HB LYS 35 HB1 LYS 35 5.677 -5.389 9.742 283 2HB LYS 35 HB2 LYS 35 7.345 -5.786 9.328 284 1HG LYS 35 HG1 LYS 35 8.126 -4.652 11.376 285 2HG LYS 35 HG2 LYS 35 6.459 -4.254 11.792 286 1HD LYS 35 HD1 LYS 35 5.903 -6.650 11.897 287 2HD LYS 35 HD2 LYS 35 7.560 -7.061 11.451 288 1HE LYS 35 HE1 LYS 35 7.748 -7.194 13.766 289 2HE LYS 35 HE2 LYS 35 8.083 -5.464 13.563 290 1HZ LYS 35 HZ1 LYS 35 6.285 -5.909 15.183 291 2HZ LYS 35 HZ2 LYS 35 5.373 -6.634 13.947 292 3HZ LYS 35 HZ3 LYS 35 5.759 -4.981 13.864 293 H LYS 36 HN LYS 36 8.935 -4.666 8.012 294 HA LYS 36 HA LYS 36 10.993 -3.712 9.690 295 1HB LYS 36 HB2 LYS 36 11.065 -5.527 7.952 296 2HB LYS 36 HB1 LYS 36 11.121 -4.276 6.712 297 1HG LYS 36 HG1 LYS 36 13.221 -3.439 7.544 298 2HG LYS 36 HG2 LYS 36 13.121 -4.459 8.981 299 1HD LYS 36 HD1 LYS 36 13.356 -6.466 7.641 300 2HD LYS 36 HD2 LYS 36 13.257 -5.533 6.147 301 1HE LYS 36 HE2 LYS 36 15.408 -4.643 6.411 302 2HE LYS 36 HE1 LYS 36 15.396 -4.879 8.168 303 1HZ LYS 36 HZ1 LYS 36 15.843 -7.091 7.968 304 2HZ LYS 36 HZ2 LYS 36 16.611 -6.567 6.546 305 3HZ LYS 36 HZ3 LYS 36 15.053 -7.241 6.474 306 H HIS 37 HN HIS 37 9.896 -2.312 6.564 307 HA HIS 37 HA HIS 37 11.821 -0.141 6.759 308 1HB HIS 37 HB1 HIS 37 9.483 -0.740 4.928 309 2HB HIS 37 HB2 HIS 37 10.649 0.554 4.646 310 HD1 HIS 37 HD1 HIS 37 13.302 -0.489 4.929 311 HD2 HIS 37 HD2 HIS 37 10.266 -3.015 3.592 312 HE1 HIS 37 HE1 HIS 37 14.444 -2.426 3.762 313 H SER 38 HN SER 38 8.281 -0.344 7.153 314 HA SER 38 HA SER 38 7.701 2.401 7.149 315 1HB SER 38 HB1 SER 38 6.005 0.706 7.013 316 2HB SER 38 HB2 SER 38 6.469 0.037 8.578 317 HG SER 38 HG SER 38 4.693 1.914 8.090 318 H ILE 39 HN ILE 39 8.314 0.345 10.016 319 HA ILE 39 HA ILE 39 8.557 0.994 12.295 320 HB ILE 39 HB ILE 39 10.560 2.703 10.785 321 1HG1 ILE 39 HG12 ILE 39 10.859 -0.093 11.919 322 2HG1 ILE 39 HG11 ILE 39 10.539 0.249 10.219 323 1HG2 ILE 39 HG21 ILE 39 11.422 1.593 13.319 324 2HG2 ILE 39 HG22 ILE 39 9.980 2.585 13.534 325 3HG2 ILE 39 HG23 ILE 39 11.422 3.275 12.787 326 1HD1 ILE 39 HD11 ILE 39 12.954 1.129 11.827 327 2HD1 ILE 39 HD12 ILE 39 12.611 1.673 10.186 328 3HD1 ILE 39 HD13 ILE 39 12.934 -0.031 10.500 329 H CYS 40 HN CYS 40 6.339 2.405 11.332 330 HA CYS 40 HA CYS 40 6.706 5.078 12.626 331 1HB CYS 40 HB1 CYS 40 5.679 6.151 10.742 332 2HB CYS 40 HB2 CYS 40 6.896 5.060 10.076 333 HG CYS 40 HG CYS 40 4.314 4.892 9.020 334 HA PRO 41 HA PRO 41 2.825 4.468 14.505 335 1HB PRO 41 HB2 PRO 41 1.541 6.889 13.507 336 2HB PRO 41 HB1 PRO 41 2.180 6.565 15.125 337 1HG PRO 41 HG1 PRO 41 3.281 8.321 13.326 338 2HG PRO 41 HG2 PRO 41 4.151 7.573 14.670 339 1HD PRO 41 HD1 PRO 41 4.251 6.950 11.774 340 2HD PRO 41 HD2 PRO 41 5.505 6.768 13.020 341 H SER 42 HN SER 42 2.669 2.834 12.580 342 HA SER 42 HA SER 42 0.026 2.453 11.785 343 1HB SER 42 HB2 SER 42 0.635 3.195 9.222 344 2HB SER 42 HB1 SER 42 -0.264 4.207 10.350 345 HG SER 42 HG SER 42 1.326 5.550 10.188 346 H GLY 43 HN GLY 43 3.364 2.293 10.464 347 1HA GLY 43 HA1 GLY 43 3.192 0.204 8.701 348 2HA GLY 43 HA2 GLY 43 4.549 0.353 9.818 349 H LYS 44 HN LYS 44 3.031 -0.080 12.241 350 HA LYS 44 HA LYS 44 2.978 -2.949 12.413 351 1HB LYS 44 HB2 LYS 44 1.601 -0.792 14.049 352 2HB LYS 44 HB1 LYS 44 1.865 -2.454 14.577 353 1HG LYS 44 HG1 LYS 44 4.108 -0.596 13.741 354 2HG LYS 44 HG2 LYS 44 3.586 -0.794 15.413 355 1HD LYS 44 HD1 LYS 44 4.067 -3.205 15.293 356 2HD LYS 44 HD2 LYS 44 4.560 -3.029 13.609 357 1HE LYS 44 HE2 LYS 44 6.483 -3.038 15.282 358 2HE LYS 44 HE1 LYS 44 6.427 -1.600 14.245 359 1HZ LYS 44 HZ1 LYS 44 5.006 -1.733 16.843 360 2HZ LYS 44 HZ2 LYS 44 5.383 -0.357 15.922 361 3HZ LYS 44 HZ3 LYS 44 6.612 -1.200 16.737 362 H ARG 45 HN ARG 45 0.440 -0.537 11.856 363 HA ARG 45 HA ARG 45 -1.618 -2.668 11.580 364 1HB ARG 45 HB2 ARG 45 -2.325 -1.016 13.055 365 2HB ARG 45 HB1 ARG 45 -1.453 0.257 12.208 366 1HG ARG 45 HG2 ARG 45 -3.753 0.682 11.798 367 2HG ARG 45 HG1 ARG 45 -3.146 -0.043 10.315 368 1HD ARG 45 HD1 ARG 45 -5.239 -1.151 10.851 369 2HD ARG 45 HD2 ARG 45 -3.945 -2.296 11.255 370 HE ARG 45 HE ARG 45 -4.469 -0.586 13.507 371 1HH1 ARG 45 HH11 ARG 45 -5.783 -3.205 11.676 372 2HH1 ARG 45 HH12 ARG 45 -6.674 -3.856 13.011 373 1HH2 ARG 45 HH21 ARG 45 -5.626 -1.429 15.250 374 2HH2 ARG 45 HH22 ARG 45 -6.585 -2.854 15.030 375 H GLY 46 HN GLY 46 -0.295 0.136 9.794 376 1HA GLY 46 HA2 GLY 46 -1.915 0.035 7.489 377 2HA GLY 46 HA1 GLY 46 -0.257 0.625 7.507 378 H GLY 47 HN GLY 47 0.925 -1.893 8.345 379 1HA GLY 47 HA2 GLY 47 1.158 -3.222 5.784 380 2HA GLY 47 HA1 GLY 47 1.837 -3.793 7.302 381 H ASP 48 HN ASP 48 -1.254 -3.289 8.109 382 HA ASP 48 HA ASP 48 -2.637 -5.494 6.829 383 1HB ASP 48 HB2 ASP 48 -0.838 -6.544 8.317 384 2HB ASP 48 HB1 ASP 48 -1.726 -5.887 9.694 385 H LEU 49 HN LEU 49 -3.726 -3.158 6.936 386 HA LEU 49 HA LEU 49 -4.918 -2.297 9.412 387 1HB LEU 49 HB1 LEU 49 -5.486 -1.771 6.477 388 2HB LEU 49 HB2 LEU 49 -6.308 -0.918 7.782 389 HG LEU 49 HG LEU 49 -3.353 -1.015 7.980 390 1HD1 LEU 49 HD11 LEU 49 -3.113 -0.436 5.777 391 2HD1 LEU 49 HD12 LEU 49 -3.604 1.154 6.361 392 3HD1 LEU 49 HD13 LEU 49 -4.793 0.078 5.629 393 1HD2 LEU 49 HD21 LEU 49 -4.881 0.238 9.534 394 2HD2 LEU 49 HD22 LEU 49 -5.336 1.270 8.178 395 3HD2 LEU 49 HD23 LEU 49 -3.669 1.265 8.764 396 H GLY 50 HN GLY 50 -5.889 -4.590 6.923 397 1HA GLY 50 HA2 GLY 50 -7.569 -6.304 7.389 398 2HA GLY 50 HA1 GLY 50 -8.339 -5.184 8.513 399 H GLU 51 HN GLU 51 -10.373 -5.095 7.505 400 HA GLU 51 HA GLU 51 -10.401 -4.179 4.652 401 1HB GLU 51 HB2 GLU 51 -11.462 -6.384 5.428 402 2HB GLU 51 HB1 GLU 51 -12.660 -5.392 6.258 403 1HG GLU 51 HG2 GLU 51 -13.322 -4.349 4.167 404 2HG GLU 51 HG1 GLU 51 -12.018 -5.165 3.305 405 H PHE 52 HN PHE 52 -11.241 -2.175 4.226 406 HA PHE 52 HA PHE 52 -12.972 -0.820 6.249 407 1HB PHE 52 HB1 PHE 52 -11.443 1.173 6.037 408 2HB PHE 52 HB2 PHE 52 -10.691 -0.215 6.819 409 HD1 PHE 52 HD1 PHE 52 -11.212 1.166 3.357 410 HD2 PHE 52 HD2 PHE 52 -8.576 -0.857 6.082 411 HE1 PHE 52 HE1 PHE 52 -9.446 1.149 1.627 412 HE2 PHE 52 HE2 PHE 52 -6.798 -0.865 4.349 413 HZ PHE 52 HZ PHE 52 -7.234 0.143 2.121 414 H ARG 53 HN ARG 53 -13.915 1.233 5.278 415 HA ARG 53 HA ARG 53 -14.927 0.732 2.617 416 1HB ARG 53 HB2 ARG 53 -14.972 3.155 4.448 417 2HB ARG 53 HB1 ARG 53 -15.870 3.060 2.936 418 1HG ARG 53 HG1 ARG 53 -17.032 1.033 3.758 419 2HG ARG 53 HG2 ARG 53 -16.160 1.165 5.286 420 1HD ARG 53 HD2 ARG 53 -17.182 3.387 5.680 421 2HD ARG 53 HD1 ARG 53 -18.057 3.250 4.142 422 HE ARG 53 HE ARG 53 -18.412 0.958 5.947 423 1HH1 ARG 53 HH11 ARG 53 -19.522 4.072 4.931 424 2HH1 ARG 53 HH12 ARG 53 -21.139 3.818 5.494 425 1HH2 ARG 53 HH21 ARG 53 -20.516 0.626 6.685 426 2HH2 ARG 53 HH22 ARG 53 -21.701 1.875 6.487 427 H GLN 54 HN GLN 54 -14.347 1.701 0.653 428 HA GLN 54 HA GLN 54 -11.614 2.400 0.242 429 1HB GLN 54 HB2 GLN 54 -12.448 2.982 -2.036 430 2HB GLN 54 HB1 GLN 54 -13.093 1.445 -1.463 431 1HG GLN 54 HG2 GLN 54 -15.175 2.581 -0.765 432 2HG GLN 54 HG1 GLN 54 -14.529 4.117 -1.335 433 1HE2 GLN 54 HE21 GLN 54 -15.661 4.572 -3.246 434 2HE2 GLN 54 HE22 GLN 54 -15.883 3.474 -4.520 435 H GLY 55 HN GLY 55 -11.865 4.106 2.173 436 1HA GLY 55 HA2 GLY 55 -11.228 6.660 1.285 437 2HA GLY 55 HA1 GLY 55 -12.982 6.687 1.474 438 H GLN 56 HN GLN 56 -10.157 5.441 3.336 439 HA GLN 56 HA GLN 56 -11.467 6.574 5.801 440 1HB GLN 56 HB2 GLN 56 -9.376 4.399 5.777 441 2HB GLN 56 HB1 GLN 56 -10.580 4.746 7.012 442 1HG GLN 56 HG1 GLN 56 -11.715 3.989 4.382 443 2HG GLN 56 HG2 GLN 56 -10.820 2.722 5.206 444 1HE2 GLN 56 HE21 GLN 56 -13.621 4.846 5.398 445 2HE2 GLN 56 HE22 GLN 56 -14.381 4.025 6.687 446 H MET 57 HN MET 57 -8.291 5.464 4.706 447 HA MET 57 HA MET 57 -7.001 7.463 6.408 448 1HB MET 57 HB2 MET 57 -6.332 5.096 6.369 449 2HB MET 57 HB1 MET 57 -5.948 5.226 4.653 450 1HG MET 57 HG2 MET 57 -4.298 7.046 5.252 451 2HG MET 57 HG1 MET 57 -4.585 6.658 6.950 452 1HE MET 57 HE1 MET 57 -4.274 3.905 3.830 453 2HE MET 57 HE2 MET 57 -2.567 4.306 3.663 454 3HE MET 57 HE3 MET 57 -3.778 5.582 3.564 455 H VAL 58 HN VAL 58 -6.763 6.497 2.970 456 HA VAL 58 HA VAL 58 -5.891 9.278 2.289 457 HB VAL 58 HB VAL 58 -3.964 7.756 2.769 458 1HG1 VAL 58 HG21 VAL 58 -4.820 6.230 0.307 459 2HG1 VAL 58 HG22 VAL 58 -5.294 5.719 1.928 460 3HG1 VAL 58 HG23 VAL 58 -3.587 5.791 1.490 461 1HG2 VAL 58 HG11 VAL 58 -4.219 9.521 0.715 462 2HG2 VAL 58 HG12 VAL 58 -3.803 8.055 -0.174 463 3HG2 VAL 58 HG13 VAL 58 -2.722 8.663 1.079 464 HA PRO 59 HA PRO 59 -8.811 8.570 -1.000 465 1HB PRO 59 HB2 PRO 59 -7.852 10.638 -2.608 466 2HB PRO 59 HB1 PRO 59 -9.059 10.827 -1.324 467 1HG PRO 59 HG1 PRO 59 -6.150 11.418 -1.302 468 2HG PRO 59 HG2 PRO 59 -7.479 12.248 -0.480 469 1HD PRO 59 HD2 PRO 59 -5.753 10.584 0.796 470 2HD PRO 59 HD1 PRO 59 -7.439 10.804 1.308 471 H ALA 60 HN ALA 60 -5.440 9.392 -1.840 472 HA ALA 60 HA ALA 60 -5.118 8.430 -4.377 473 1HB ALA 60 HB1 ALA 60 -3.528 8.783 -1.992 474 2HB ALA 60 HB2 ALA 60 -3.025 8.922 -3.678 475 3HB ALA 60 HB3 ALA 60 -2.968 7.357 -2.866 476 H PHE 61 HN PHE 61 -5.579 6.424 -1.487 477 HA PHE 61 HA PHE 61 -4.891 3.897 -2.595 478 1HB PHE 61 HB2 PHE 61 -5.259 4.228 -0.228 479 2HB PHE 61 HB1 PHE 61 -6.915 4.764 -0.512 480 HD1 PHE 61 HD1 PHE 61 -4.624 1.859 -0.578 481 HD2 PHE 61 HD2 PHE 61 -8.693 3.188 -0.968 482 HE1 PHE 61 HE1 PHE 61 -5.402 -0.494 -0.477 483 HE2 PHE 61 HE2 PHE 61 -9.473 0.832 -0.862 484 HZ PHE 61 HZ PHE 61 -7.827 -1.009 -0.617 485 H ASP 62 HN ASP 62 -8.021 5.619 -2.559 486 HA ASP 62 HA ASP 62 -9.578 3.579 -3.803 487 1HB ASP 62 HB1 ASP 62 -10.456 5.584 -2.664 488 2HB ASP 62 HB2 ASP 62 -9.781 6.605 -3.934 489 H LYS 63 HN LYS 63 -7.626 6.205 -5.214 490 HA LYS 63 HA LYS 63 -8.421 5.922 -7.915 491 1HB LYS 63 HB1 LYS 63 -5.785 6.691 -6.627 492 2HB LYS 63 HB2 LYS 63 -6.170 6.974 -8.325 493 1HG LYS 63 HG1 LYS 63 -7.814 8.016 -5.997 494 2HG LYS 63 HG2 LYS 63 -6.616 8.969 -6.874 495 1HD LYS 63 HD2 LYS 63 -7.881 8.573 -8.979 496 2HD LYS 63 HD1 LYS 63 -9.098 7.689 -8.060 497 1HE LYS 63 HE1 LYS 63 -9.622 9.697 -6.753 498 2HE LYS 63 HE2 LYS 63 -8.337 10.595 -7.585 499 1HZ LYS 63 HZ1 LYS 63 -10.580 9.221 -8.973 500 2HZ LYS 63 HZ2 LYS 63 -9.422 10.251 -9.671 501 3HZ LYS 63 HZ3 LYS 63 -10.584 10.875 -8.599 502 H VAL 64 HN VAL 64 -5.739 4.297 -6.170 503 HA VAL 64 HA VAL 64 -4.936 2.740 -8.487 504 HB VAL 64 HB VAL 64 -3.422 3.351 -6.641 505 1HG1 VAL 64 HG21 VAL 64 -3.678 2.154 -4.449 506 2HG1 VAL 64 HG22 VAL 64 -5.255 1.585 -4.994 507 3HG1 VAL 64 HG23 VAL 64 -4.968 3.310 -4.771 508 1HG2 VAL 64 HG11 VAL 64 -3.439 0.467 -6.164 509 2HG2 VAL 64 HG12 VAL 64 -2.229 1.462 -6.975 510 3HG2 VAL 64 HG13 VAL 64 -3.625 0.866 -7.873 511 H VAL 65 HN VAL 65 -6.974 2.053 -5.628 512 HA VAL 65 HA VAL 65 -7.591 -0.686 -6.222 513 HB VAL 65 HB VAL 65 -8.970 1.626 -4.863 514 1HG1 VAL 65 HG21 VAL 65 -10.421 -0.627 -4.150 515 2HG1 VAL 65 HG22 VAL 65 -10.210 -0.827 -5.889 516 3HG1 VAL 65 HG23 VAL 65 -10.971 0.633 -5.256 517 1HG2 VAL 65 HG11 VAL 65 -7.337 -0.716 -4.144 518 2HG2 VAL 65 HG12 VAL 65 -8.762 -0.502 -3.126 519 3HG2 VAL 65 HG13 VAL 65 -7.578 0.798 -3.268 520 H PHE 66 HN PHE 66 -8.659 2.371 -7.603 521 HA PHE 66 HA PHE 66 -10.606 0.981 -9.385 522 1HB PHE 66 HB1 PHE 66 -10.740 3.314 -8.037 523 2HB PHE 66 HB2 PHE 66 -10.018 3.904 -9.534 524 HD1 PHE 66 HD1 PHE 66 -12.891 1.958 -8.166 525 HD2 PHE 66 HD2 PHE 66 -11.310 4.143 -11.513 526 HE1 PHE 66 HE1 PHE 66 -15.109 1.858 -9.279 527 HE2 PHE 66 HE2 PHE 66 -13.526 4.043 -12.627 528 HZ PHE 66 HZ PHE 66 -15.426 2.901 -11.509 529 H SER 67 HN SER 67 -7.355 1.613 -9.321 530 HA SER 67 HA SER 67 -7.063 2.111 -12.231 531 1HB SER 67 HB1 SER 67 -5.749 3.288 -10.347 532 2HB SER 67 HB2 SER 67 -4.903 1.753 -10.151 533 HG SER 67 HG SER 67 -3.691 2.591 -11.662 534 H CYS 68 HN CYS 68 -5.510 -0.048 -9.835 535 HA CYS 68 HA CYS 68 -5.277 -2.195 -11.871 536 1HB CYS 68 HB2 CYS 68 -4.342 -1.822 -9.009 537 2HB CYS 68 HB1 CYS 68 -4.026 -3.281 -9.950 538 HG CYS 68 HG CYS 68 -2.824 -1.585 -11.728 539 HA PRO 69 HA PRO 69 -9.111 -3.896 -10.470 540 1HB PRO 69 HB1 PRO 69 -8.818 -6.368 -11.673 541 2HB PRO 69 HB2 PRO 69 -9.368 -4.907 -12.511 542 1HG PRO 69 HG2 PRO 69 -6.694 -6.198 -12.502 543 2HG PRO 69 HG1 PRO 69 -7.532 -5.347 -13.806 544 1HD PRO 69 HD2 PRO 69 -5.498 -4.261 -12.339 545 2HD PRO 69 HD1 PRO 69 -6.767 -3.301 -13.125 546 H VAL 70 HN VAL 70 -8.148 -3.927 -8.242 547 HA VAL 70 HA VAL 70 -7.365 -5.000 -6.275 548 HB VAL 70 HB VAL 70 -8.902 -7.125 -6.031 549 1HG1 VAL 70 HG11 VAL 70 -9.724 -5.332 -4.879 550 2HG1 VAL 70 HG12 VAL 70 -10.914 -5.348 -6.181 551 3HG1 VAL 70 HG13 VAL 70 -9.546 -4.237 -6.249 552 1HG2 VAL 70 HG21 VAL 70 -10.749 -7.178 -7.626 553 2HG2 VAL 70 HG22 VAL 70 -9.227 -7.453 -8.467 554 3HG2 VAL 70 HG23 VAL 70 -10.011 -5.876 -8.557 555 H LEU 71 HN LEU 71 -6.736 -7.284 -5.336 556 HA LEU 71 HA LEU 71 -4.676 -8.404 -5.201 557 1HB LEU 71 HB2 LEU 71 -4.887 -10.577 -6.345 558 2HB LEU 71 HB1 LEU 71 -6.378 -10.091 -5.564 559 HG LEU 71 HG LEU 71 -6.750 -11.125 -7.773 560 1HD1 LEU 71 HD21 LEU 71 -7.649 -8.454 -8.466 561 2HD1 LEU 71 HD22 LEU 71 -7.951 -8.842 -6.771 562 3HD1 LEU 71 HD23 LEU 71 -8.582 -9.885 -8.040 563 1HD2 LEU 71 HD11 LEU 71 -5.429 -8.696 -8.979 564 2HD2 LEU 71 HD12 LEU 71 -6.102 -10.080 -9.823 565 3HD2 LEU 71 HD13 LEU 71 -4.654 -10.271 -8.840 566 H GLU 72 HN GLU 72 -4.242 -6.157 -6.800 567 HA GLU 72 HA GLU 72 -2.036 -7.226 -8.496 568 1HB GLU 72 HB1 GLU 72 -3.900 -6.670 -9.984 569 2HB GLU 72 HB2 GLU 72 -4.061 -5.083 -9.229 570 1HG GLU 72 HG2 GLU 72 -2.793 -4.602 -11.142 571 2HG GLU 72 HG1 GLU 72 -1.550 -4.791 -9.906 572 HA PRO 73 HA PRO 73 -0.750 -4.347 -5.097 573 1HB PRO 73 HB2 PRO 73 1.830 -5.477 -6.106 574 2HB PRO 73 HB1 PRO 73 1.288 -5.227 -4.436 575 1HG PRO 73 HG1 PRO 73 1.284 -7.648 -5.609 576 2HG PRO 73 HG2 PRO 73 0.088 -7.174 -4.395 577 1HD PRO 73 HD1 PRO 73 -0.243 -7.578 -7.294 578 2HD PRO 73 HD2 PRO 73 -1.460 -7.608 -6.001 579 H THR 74 HN THR 74 -0.383 -2.214 -5.553 580 HA THR 74 HA THR 74 0.933 -1.536 -8.164 581 HB THR 74 HB THR 74 -1.396 -0.193 -6.756 582 HG1 THR 74 HG1 THR 74 -2.431 -1.796 -7.614 583 1HG2 THR 74 HG21 THR 74 -0.181 1.383 -8.127 584 2HG2 THR 74 HG22 THR 74 -1.648 0.928 -8.994 585 3HG2 THR 74 HG23 THR 74 -0.096 0.229 -9.458 586 H GLY 75 HN GLY 75 2.526 0.016 -8.031 587 1HA GLY 75 HA1 GLY 75 3.059 2.240 -6.793 588 2HA GLY 75 HA2 GLY 75 2.999 1.231 -5.347 589 HA PRO 76 HA PRO 76 4.465 2.367 -4.400 590 1HB PRO 76 HB1 PRO 76 6.600 4.079 -4.244 591 2HB PRO 76 HB2 PRO 76 6.564 2.498 -3.444 592 1HG PRO 76 HG2 PRO 76 7.899 3.318 -5.975 593 2HG PRO 76 HG1 PRO 76 8.452 2.196 -4.720 594 1HD PRO 76 HD1 PRO 76 7.370 1.413 -7.113 595 2HD PRO 76 HD2 PRO 76 7.327 0.433 -5.634 596 H LEU 77 HN LEU 77 3.578 4.529 -4.449 597 HA LEU 77 HA LEU 77 3.740 5.876 -7.128 598 1HB LEU 77 HB2 LEU 77 1.727 4.471 -6.866 599 2HB LEU 77 HB1 LEU 77 1.326 5.318 -5.370 600 HG LEU 77 HG LEU 77 1.157 7.443 -6.625 601 1HD1 LEU 77 HD11 LEU 77 2.138 7.622 -8.640 602 2HD1 LEU 77 HD12 LEU 77 1.001 6.441 -9.291 603 3HD1 LEU 77 HD13 LEU 77 2.535 5.904 -8.607 604 1HD2 LEU 77 HD21 LEU 77 -0.913 6.283 -6.381 605 2HD2 LEU 77 HD22 LEU 77 -0.475 5.093 -7.606 606 3HD2 LEU 77 HD23 LEU 77 -0.837 6.753 -8.078 607 H HIS 78 HN HIS 78 3.317 8.177 -7.075 608 HA HIS 78 HA HIS 78 4.350 9.484 -4.695 609 1HB HIS 78 HB1 HIS 78 4.873 10.242 -6.948 610 2HB HIS 78 HB2 HIS 78 3.160 10.482 -7.300 611 HD1 HIS 78 HD1 HIS 78 2.029 12.587 -6.353 612 HD2 HIS 78 HD2 HIS 78 6.008 12.200 -5.172 613 HE1 HIS 78 HE1 HIS 78 2.674 14.788 -5.277 614 H THR 79 HN THR 79 3.195 10.359 -3.043 615 HA THR 79 HA THR 79 0.373 11.183 -3.488 616 HB THR 79 HB THR 79 0.359 8.863 -2.595 617 HG1 THR 79 HG1 THR 79 -0.622 9.622 -0.430 618 1HG2 THR 79 HG21 THR 79 1.169 8.808 -0.079 619 2HG2 THR 79 HG22 THR 79 2.214 10.126 -0.610 620 3HG2 THR 79 HG23 THR 79 2.319 8.548 -1.390 621 H GLN 80 HN GLN 80 -0.373 12.409 -1.414 622 HA GLN 80 HA GLN 80 1.330 14.633 -0.980 623 1HB GLN 80 HB1 GLN 80 -1.018 13.474 0.550 624 2HB GLN 80 HB2 GLN 80 -0.323 15.054 0.910 625 1HG GLN 80 HG2 GLN 80 -0.836 15.862 -1.309 626 2HG GLN 80 HG1 GLN 80 -1.332 14.252 -1.833 627 1HE2 GLN 80 HE21 GLN 80 -3.553 14.871 -2.277 628 2HE2 GLN 80 HE22 GLN 80 -4.632 15.295 -1.038 629 H PHE 81 HN PHE 81 1.093 11.571 0.740 630 HA PHE 81 HA PHE 81 2.617 12.615 3.046 631 1HB PHE 81 HB2 PHE 81 1.475 9.873 2.426 632 2HB PHE 81 HB1 PHE 81 1.996 10.450 4.009 633 HD1 PHE 81 HD1 PHE 81 0.716 12.200 5.201 634 HD2 PHE 81 HD2 PHE 81 -0.610 10.603 1.436 635 HE1 PHE 81 HE1 PHE 81 -1.535 13.176 5.580 636 HE2 PHE 81 HE2 PHE 81 -2.861 11.578 1.815 637 HZ PHE 81 HZ PHE 81 -3.324 12.864 3.886 638 H GLY 82 HN GLY 82 3.650 11.683 0.107 639 1HA GLY 82 HA2 GLY 82 6.158 11.286 -0.035 640 2HA GLY 82 HA1 GLY 82 5.914 10.055 1.204 641 H TYR 83 HN TYR 83 6.004 8.049 0.298 642 HA TYR 83 HA TYR 83 4.742 7.679 -2.401 643 1HB TYR 83 HB1 TYR 83 7.030 6.290 -0.980 644 2HB TYR 83 HB2 TYR 83 6.307 5.670 -2.465 645 HD1 TYR 83 HD1 TYR 83 6.554 6.866 -4.588 646 HD2 TYR 83 HD2 TYR 83 8.328 8.362 -0.970 647 HE1 TYR 83 HE1 TYR 83 7.951 8.428 -5.919 648 HE2 TYR 83 HE2 TYR 83 9.724 9.925 -2.300 649 HH TYR 83 HH TYR 83 10.611 10.063 -4.632 650 H HIS 84 HN HIS 84 3.139 6.130 -2.557 651 HA HIS 84 HA HIS 84 2.542 4.492 -0.114 652 1HB HIS 84 HB2 HIS 84 0.823 6.057 -2.026 653 2HB HIS 84 HB1 HIS 84 0.146 4.657 -1.201 654 HD1 HIS 84 HD1 HIS 84 -1.051 7.310 -0.476 655 HD2 HIS 84 HD2 HIS 84 2.289 5.777 1.497 656 HE1 HIS 84 HE1 HIS 84 -0.975 8.448 1.780 657 H ILE 85 HN ILE 85 2.829 2.341 -0.546 658 HA ILE 85 HA ILE 85 2.132 1.390 -3.309 659 HB ILE 85 HB ILE 85 4.515 1.050 -2.348 660 1HG1 ILE 85 HG12 ILE 85 3.259 -1.581 -3.023 661 2HG1 ILE 85 HG11 ILE 85 3.151 -0.276 -4.206 662 1HG2 ILE 85 HG21 ILE 85 4.843 -0.339 -0.567 663 2HG2 ILE 85 HG22 ILE 85 3.493 -1.385 -1.007 664 3HG2 ILE 85 HG23 ILE 85 3.193 0.130 -0.157 665 1HD1 ILE 85 HD11 ILE 85 5.730 -1.226 -2.924 666 2HD1 ILE 85 HD12 ILE 85 5.576 -0.018 -4.199 667 3HD1 ILE 85 HD13 ILE 85 5.175 -1.703 -4.529 668 H ILE 86 HN ILE 86 0.435 -0.042 -3.432 669 HA ILE 86 HA ILE 86 -0.862 -0.814 -0.837 670 HB ILE 86 HB ILE 86 -1.859 0.534 -3.348 671 1HG1 ILE 86 HG11 ILE 86 -2.425 1.349 -0.516 672 2HG1 ILE 86 HG12 ILE 86 -0.842 1.694 -1.214 673 1HG2 ILE 86 HG21 ILE 86 -3.793 -0.609 -3.109 674 2HG2 ILE 86 HG22 ILE 86 -4.028 0.315 -1.628 675 3HG2 ILE 86 HG23 ILE 86 -3.289 -1.283 -1.559 676 1HD1 ILE 86 HD11 ILE 86 -2.275 2.604 -3.237 677 2HD1 ILE 86 HD12 ILE 86 -2.014 3.613 -1.814 678 3HD1 ILE 86 HD13 ILE 86 -3.536 2.745 -2.012 679 H LYS 87 HN LYS 87 -1.540 -2.906 -0.734 680 HA LYS 87 HA LYS 87 -1.819 -4.468 -3.281 681 1HB LYS 87 HB2 LYS 87 -0.212 -5.343 -1.615 682 2HB LYS 87 HB1 LYS 87 -1.480 -5.341 -0.391 683 1HG LYS 87 HG2 LYS 87 -2.780 -6.956 -1.712 684 2HG LYS 87 HG1 LYS 87 -1.540 -6.942 -2.967 685 1HD LYS 87 HD2 LYS 87 -0.835 -7.612 -0.113 686 2HD LYS 87 HD1 LYS 87 -1.475 -8.848 -1.194 687 1HE LYS 87 HE1 LYS 87 0.708 -7.189 -2.332 688 2HE LYS 87 HE2 LYS 87 1.179 -8.280 -1.015 689 1HZ LYS 87 HZ1 LYS 87 -0.420 -9.039 -3.410 690 2HZ LYS 87 HZ2 LYS 87 0.034 -10.083 -2.149 691 3HZ LYS 87 HZ3 LYS 87 1.216 -9.415 -3.169 692 H VAL 88 HN VAL 88 -3.919 -4.905 -3.867 693 HA VAL 88 HA VAL 88 -6.067 -4.266 -1.889 694 HB VAL 88 HB VAL 88 -6.046 -4.433 -4.921 695 1HG1 VAL 88 HG11 VAL 88 -8.243 -3.543 -4.871 696 2HG1 VAL 88 HG12 VAL 88 -8.117 -3.108 -3.166 697 3HG1 VAL 88 HG13 VAL 88 -8.255 -4.802 -3.637 698 1HG2 VAL 88 HG21 VAL 88 -5.937 -2.030 -4.899 699 2HG2 VAL 88 HG22 VAL 88 -4.646 -2.608 -3.845 700 3HG2 VAL 88 HG23 VAL 88 -6.139 -1.980 -3.147 701 H LEU 89 HN LEU 89 -7.630 -5.817 -1.382 702 HA LEU 89 HA LEU 89 -7.548 -8.406 -2.845 703 1HB LEU 89 HB2 LEU 89 -7.419 -7.934 0.151 704 2HB LEU 89 HB1 LEU 89 -7.496 -9.516 -0.623 705 HG LEU 89 HG LEU 89 -5.314 -7.480 -1.151 706 1HD1 LEU 89 HD11 LEU 89 -5.702 -9.408 1.021 707 2HD1 LEU 89 HD12 LEU 89 -4.535 -8.093 0.886 708 3HD1 LEU 89 HD13 LEU 89 -4.190 -9.657 0.148 709 1HD2 LEU 89 HD21 LEU 89 -6.125 -9.649 -2.650 710 2HD2 LEU 89 HD22 LEU 89 -4.853 -10.343 -1.646 711 3HD2 LEU 89 HD23 LEU 89 -4.505 -8.954 -2.676 712 H TYR 90 HN TYR 90 -9.660 -8.970 -3.334 713 HA TYR 90 HA TYR 90 -11.906 -9.527 -2.982 714 1HB TYR 90 HB2 TYR 90 -10.820 -9.160 -0.451 715 2HB TYR 90 HB1 TYR 90 -12.250 -8.125 -0.440 716 HD1 TYR 90 HD1 TYR 90 -14.497 -9.074 -0.931 717 HD2 TYR 90 HD2 TYR 90 -11.007 -11.559 -0.579 718 HE1 TYR 90 HE1 TYR 90 -15.946 -11.075 -0.697 719 HE2 TYR 90 HE2 TYR 90 -12.456 -13.561 -0.343 720 HH TYR 90 HH TYR 90 -15.744 -13.382 0.316 721 H ARG 91 HN ARG 91 -11.372 -6.241 -1.593 722 HA ARG 91 HA ARG 91 -12.505 -4.222 -2.087 723 1HB ARG 91 HB1 ARG 91 -11.438 -4.892 -4.265 724 2HB ARG 91 HB2 ARG 91 -12.967 -5.633 -4.726 725 1HG ARG 91 HG1 ARG 91 -14.108 -3.497 -4.576 726 2HG ARG 91 HG2 ARG 91 -12.665 -2.726 -3.916 727 1HD ARG 91 HD1 ARG 91 -12.778 -2.186 -6.288 728 2HD ARG 91 HD2 ARG 91 -11.470 -3.365 -6.076 729 HE ARG 91 HE ARG 91 -13.803 -4.879 -6.468 730 1HH1 ARG 91 HH11 ARG 91 -11.986 -2.468 -8.151 731 2HH1 ARG 91 HH12 ARG 91 -12.423 -3.052 -9.720 732 1HH2 ARG 91 HH21 ARG 91 -14.373 -5.650 -8.512 733 2HH2 ARG 91 HH22 ARG 91 -13.770 -4.851 -9.925 734 H ASN 92 HN ASN 92 -14.066 -6.281 -0.784 735 HA ASN 92 HA ASN 92 -16.715 -5.253 -1.130 736 1HB ASN 92 HB1 ASN 92 -15.806 -7.432 -2.889 737 2HB ASN 92 HB2 ASN 92 -17.320 -7.783 -2.057 738 1HD2 ASN 92 HD21 ASN 92 -18.591 -5.325 -1.956 739 2HD2 ASN 92 HD22 ASN 92 -18.841 -4.717 -3.521 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -17.341 -0.769 -5.099 2 2H ALA 1 HT2 ALA 1 -16.525 -2.100 -5.769 3 3H ALA 1 HT3 ALA 1 -15.656 -0.893 -4.949 4 HA ALA 1 HA ALA 1 -17.547 -2.863 -3.768 5 1HB ALA 1 HB1 ALA 1 -15.467 -3.542 -2.611 6 2HB ALA 1 HB2 ALA 1 -14.588 -2.260 -3.445 7 3HB ALA 1 HB3 ALA 1 -15.262 -3.607 -4.362 8 H LYS 2 HN LYS 2 -18.708 -1.969 -2.110 9 HA LYS 2 HA LYS 2 -18.278 0.633 -1.016 10 1HB LYS 2 HB2 LYS 2 -19.964 -0.104 0.612 11 2HB LYS 2 HB1 LYS 2 -20.394 -0.679 -0.998 12 1HG LYS 2 HG1 LYS 2 -19.411 -2.882 -0.479 13 2HG LYS 2 HG2 LYS 2 -18.974 -2.310 1.132 14 1HD LYS 2 HD2 LYS 2 -21.398 -1.847 1.565 15 2HD LYS 2 HD1 LYS 2 -21.777 -2.560 -0.002 16 1HE LYS 2 HE1 LYS 2 -20.835 -4.711 0.710 17 2HE LYS 2 HE2 LYS 2 -20.352 -4.004 2.265 18 1HZ LYS 2 HZ1 LYS 2 -22.442 -4.896 2.714 19 2HZ LYS 2 HZ2 LYS 2 -23.073 -4.462 1.197 20 3HZ LYS 2 HZ3 LYS 2 -22.801 -3.272 2.378 21 H THR 3 HN THR 3 -17.078 -2.554 -0.047 22 HA THR 3 HA THR 3 -15.345 -1.195 1.982 23 HB THR 3 HB THR 3 -16.881 -3.805 2.199 24 HG1 THR 3 HG1 THR 3 -17.518 -2.340 4.156 25 1HG2 THR 3 HG21 THR 3 -15.055 -2.469 4.217 26 2HG2 THR 3 HG22 THR 3 -14.637 -3.899 3.271 27 3HG2 THR 3 HG23 THR 3 -15.947 -3.973 4.448 28 H ALA 4 HN ALA 4 -13.213 -2.161 2.193 29 HA ALA 4 HA ALA 4 -12.565 -4.471 0.430 30 1HB ALA 4 HB1 ALA 4 -12.502 -2.504 -1.029 31 2HB ALA 4 HB2 ALA 4 -10.854 -3.068 -0.748 32 3HB ALA 4 HB3 ALA 4 -11.465 -1.660 0.118 33 H ALA 5 HN ALA 5 -10.376 -5.311 0.841 34 HA ALA 5 HA ALA 5 -9.220 -4.372 3.453 35 1HB ALA 5 HB1 ALA 5 -9.652 -6.669 3.631 36 2HB ALA 5 HB2 ALA 5 -7.982 -6.675 3.065 37 3HB ALA 5 HB3 ALA 5 -9.299 -6.965 1.929 38 H ALA 6 HN ALA 6 -7.083 -3.553 3.413 39 HA ALA 6 HA ALA 6 -5.526 -3.859 0.890 40 1HB ALA 6 HB1 ALA 6 -5.586 -1.585 0.368 41 2HB ALA 6 HB2 ALA 6 -5.976 -1.113 2.019 42 3HB ALA 6 HB3 ALA 6 -7.212 -1.843 0.998 43 H LEU 7 HN LEU 7 -3.401 -4.084 1.334 44 HA LEU 7 HA LEU 7 -2.347 -3.225 4.005 45 1HB LEU 7 HB1 LEU 7 -1.391 -5.150 1.864 46 2HB LEU 7 HB2 LEU 7 -0.409 -4.708 3.258 47 HG LEU 7 HG LEU 7 -3.077 -6.143 3.241 48 1HD1 LEU 7 HD11 LEU 7 -1.746 -7.949 3.437 49 2HD1 LEU 7 HD12 LEU 7 -1.158 -7.307 4.971 50 3HD1 LEU 7 HD13 LEU 7 -0.311 -6.924 3.473 51 1HD2 LEU 7 HD21 LEU 7 -1.658 -4.671 5.451 52 2HD2 LEU 7 HD22 LEU 7 -2.658 -6.079 5.813 53 3HD2 LEU 7 HD23 LEU 7 -3.374 -4.665 5.040 54 H HIS 8 HN HIS 8 -0.569 -1.756 4.061 55 HA HIS 8 HA HIS 8 0.175 -0.529 1.422 56 1HB HIS 8 HB1 HIS 8 -0.421 0.928 4.013 57 2HB HIS 8 HB2 HIS 8 -0.192 1.644 2.417 58 HD1 HIS 8 HD1 HIS 8 -2.329 2.220 1.301 59 HD2 HIS 8 HD2 HIS 8 -2.780 -1.046 3.850 60 HE1 HIS 8 HE1 HIS 8 -4.773 1.564 1.197 61 H ILE 9 HN ILE 9 2.257 0.383 1.346 62 HA ILE 9 HA ILE 9 3.887 0.275 3.841 63 HB ILE 9 HB ILE 9 4.759 -0.512 1.046 64 1HG1 ILE 9 HG11 ILE 9 4.590 -2.143 3.591 65 2HG1 ILE 9 HG12 ILE 9 3.395 -2.196 2.295 66 1HG2 ILE 9 HG21 ILE 9 6.524 0.700 2.253 67 2HG2 ILE 9 HG22 ILE 9 6.930 -1.013 2.122 68 3HG2 ILE 9 HG23 ILE 9 6.313 -0.366 3.643 69 1HD1 ILE 9 HD11 ILE 9 4.911 -4.027 1.920 70 2HD1 ILE 9 HD12 ILE 9 6.315 -2.982 2.131 71 3HD1 ILE 9 HD13 ILE 9 5.282 -2.796 0.714 72 H LEU 10 HN LEU 10 4.735 2.261 4.243 73 HA LEU 10 HA LEU 10 4.574 4.325 2.097 74 1HB LEU 10 HB2 LEU 10 3.441 4.327 4.487 75 2HB LEU 10 HB1 LEU 10 5.040 4.851 5.019 76 HG LEU 10 HG LEU 10 3.203 6.216 3.041 77 1HD1 LEU 10 HD11 LEU 10 2.698 6.906 5.242 78 2HD1 LEU 10 HD12 LEU 10 3.803 8.149 4.655 79 3HD1 LEU 10 HD13 LEU 10 4.392 6.881 5.731 80 1HD2 LEU 10 HD21 LEU 10 5.042 7.822 2.663 81 2HD2 LEU 10 HD22 LEU 10 5.491 6.204 2.125 82 3HD2 LEU 10 HD23 LEU 10 6.110 6.829 3.655 83 H VAL 11 HN VAL 11 6.505 4.809 1.153 84 HA VAL 11 HA VAL 11 8.993 4.625 2.826 85 HB VAL 11 HB VAL 11 8.860 4.600 -0.193 86 1HG1 VAL 11 HG21 VAL 11 10.864 4.048 1.938 87 2HG1 VAL 11 HG22 VAL 11 11.079 4.792 0.353 88 3HG1 VAL 11 HG23 VAL 11 10.932 3.041 0.491 89 1HG2 VAL 11 HG11 VAL 11 8.424 2.335 1.761 90 2HG2 VAL 11 HG12 VAL 11 9.061 2.042 0.143 91 3HG2 VAL 11 HG13 VAL 11 7.462 2.757 0.345 92 H LYS 12 HN LYS 12 10.040 6.547 3.158 93 HA LYS 12 HA LYS 12 8.895 9.040 2.272 94 1HB LYS 12 HB1 LYS 12 10.107 8.673 4.395 95 2HB LYS 12 HB2 LYS 12 11.589 8.356 3.495 96 1HG LYS 12 HG2 LYS 12 11.501 10.635 2.548 97 2HG LYS 12 HG1 LYS 12 10.018 10.953 3.449 98 1HD LYS 12 HD2 LYS 12 11.256 10.505 5.570 99 2HD LYS 12 HD1 LYS 12 12.736 10.304 4.632 100 1HE LYS 12 HE1 LYS 12 12.005 12.697 3.667 101 2HE LYS 12 HE2 LYS 12 11.211 12.799 5.249 102 1HZ LYS 12 HZ1 LYS 12 13.281 12.141 6.300 103 2HZ LYS 12 HZ2 LYS 12 13.537 13.530 5.355 104 3HZ LYS 12 HZ3 LYS 12 14.044 12.010 4.791 105 H GLU 13 HN GLU 13 11.776 7.192 1.247 106 HA GLU 13 HA GLU 13 12.253 9.228 -0.892 107 1HB GLU 13 HB1 GLU 13 13.934 7.184 0.560 108 2HB GLU 13 HB2 GLU 13 14.509 7.961 -0.915 109 1HG GLU 13 HG1 GLU 13 14.175 10.173 0.120 110 2HG GLU 13 HG2 GLU 13 13.596 9.398 1.591 111 H GLU 14 HN GLU 14 12.132 8.640 -3.029 112 HA GLU 14 HA GLU 14 10.774 6.278 -3.875 113 1HB GLU 14 HB2 GLU 14 11.046 8.480 -5.081 114 2HB GLU 14 HB1 GLU 14 12.710 8.014 -5.440 115 1HG GLU 14 HG1 GLU 14 11.907 6.011 -6.623 116 2HG GLU 14 HG2 GLU 14 10.239 6.444 -6.244 117 H LYS 15 HN LYS 15 14.258 7.061 -3.772 118 HA LYS 15 HA LYS 15 15.290 4.725 -5.003 119 1HB LYS 15 HB1 LYS 15 16.270 6.516 -2.765 120 2HB LYS 15 HB2 LYS 15 17.284 5.283 -3.514 121 1HG LYS 15 HG2 LYS 15 16.945 6.346 -5.717 122 2HG LYS 15 HG1 LYS 15 15.932 7.580 -4.968 123 1HD LYS 15 HD2 LYS 15 17.843 8.279 -3.557 124 2HD LYS 15 HD1 LYS 15 18.850 7.051 -4.321 125 1HE LYS 15 HE1 LYS 15 18.759 8.160 -6.445 126 2HE LYS 15 HE2 LYS 15 17.447 9.224 -5.906 127 1HZ LYS 15 HZ1 LYS 15 18.844 10.391 -4.513 128 2HZ LYS 15 HZ2 LYS 15 19.901 10.053 -5.800 129 3HZ LYS 15 HZ3 LYS 15 19.963 9.123 -4.379 130 H LEU 16 HN LEU 16 14.351 5.298 -1.598 131 HA LEU 16 HA LEU 16 15.067 2.638 -0.679 132 1HB LEU 16 HB2 LEU 16 14.569 4.885 0.584 133 2HB LEU 16 HB1 LEU 16 12.886 4.370 0.476 134 HG LEU 16 HG LEU 16 14.983 2.464 1.491 135 1HD1 LEU 16 HD11 LEU 16 15.378 3.794 3.269 136 2HD1 LEU 16 HD12 LEU 16 13.691 3.567 3.726 137 3HD1 LEU 16 HD13 LEU 16 14.158 4.954 2.742 138 1HD2 LEU 16 HD21 LEU 16 13.156 1.321 2.420 139 2HD2 LEU 16 HD22 LEU 16 12.494 1.922 0.901 140 3HD2 LEU 16 HD23 LEU 16 12.132 2.756 2.411 141 H ALA 17 HN ALA 17 12.109 4.155 -1.948 142 HA ALA 17 HA ALA 17 10.339 1.918 -1.688 143 1HB ALA 17 HB1 ALA 17 9.578 4.166 -2.204 144 2HB ALA 17 HB2 ALA 17 9.152 3.123 -3.561 145 3HB ALA 17 HB3 ALA 17 10.546 4.198 -3.678 146 H LEU 18 HN LEU 18 12.642 2.852 -4.261 147 HA LEU 18 HA LEU 18 12.047 0.731 -6.101 148 1HB LEU 18 HB2 LEU 18 14.090 2.758 -5.599 149 2HB LEU 18 HB1 LEU 18 14.794 1.266 -6.223 150 HG LEU 18 HG LEU 18 12.712 1.427 -7.891 151 1HD1 LEU 18 HD21 LEU 18 13.289 4.289 -7.070 152 2HD1 LEU 18 HD22 LEU 18 11.750 3.439 -6.921 153 3HD1 LEU 18 HD23 LEU 18 12.389 3.834 -8.518 154 1HD2 LEU 18 HD11 LEU 18 14.788 3.338 -8.711 155 2HD2 LEU 18 HD12 LEU 18 14.338 1.791 -9.430 156 3HD2 LEU 18 HD13 LEU 18 15.442 1.837 -8.055 157 H ASP 19 HN ASP 19 14.272 0.947 -3.330 158 HA ASP 19 HA ASP 19 15.348 -1.712 -3.483 159 1HB ASP 19 HB2 ASP 19 16.040 0.326 -2.068 160 2HB ASP 19 HB1 ASP 19 14.733 -0.130 -0.975 161 H LEU 20 HN LEU 20 12.399 -0.365 -2.003 162 HA LEU 20 HA LEU 20 11.527 -2.726 -0.652 163 1HB LEU 20 HB1 LEU 20 9.985 -1.193 -0.017 164 2HB LEU 20 HB2 LEU 20 10.694 -0.061 -1.161 165 HG LEU 20 HG LEU 20 9.176 -0.977 -2.935 166 1HD1 LEU 20 HD11 LEU 20 7.160 -2.157 -1.388 167 2HD1 LEU 20 HD12 LEU 20 8.655 -2.905 -0.823 168 3HD1 LEU 20 HD13 LEU 20 8.221 -2.981 -2.531 169 1HD2 LEU 20 HD21 LEU 20 8.302 0.430 -0.486 170 2HD2 LEU 20 HD22 LEU 20 7.012 -0.200 -1.513 171 3HD2 LEU 20 HD23 LEU 20 8.195 0.927 -2.175 172 H LEU 21 HN LEU 21 10.691 -1.495 -3.905 173 HA LEU 21 HA LEU 21 8.990 -3.621 -4.678 174 1HB LEU 21 HB2 LEU 21 10.813 -1.734 -6.186 175 2HB LEU 21 HB1 LEU 21 9.673 -2.808 -7.000 176 HG LEU 21 HG LEU 21 8.405 -1.386 -4.798 177 1HD1 LEU 21 HD11 LEU 21 9.368 0.641 -5.070 178 2HD1 LEU 21 HD12 LEU 21 8.553 0.701 -6.633 179 3HD1 LEU 21 HD13 LEU 21 10.215 0.122 -6.528 180 1HD2 LEU 21 HD21 LEU 21 6.655 -1.297 -6.298 181 2HD2 LEU 21 HD22 LEU 21 7.587 -2.593 -7.048 182 3HD2 LEU 21 HD23 LEU 21 7.710 -0.946 -7.667 183 H GLU 22 HN GLU 22 12.484 -3.181 -5.296 184 HA GLU 22 HA GLU 22 12.945 -5.643 -6.658 185 1HB GLU 22 HB1 GLU 22 14.650 -3.854 -4.898 186 2HB GLU 22 HB2 GLU 22 15.312 -5.188 -5.844 187 1HG GLU 22 HG2 GLU 22 14.520 -4.177 -7.911 188 2HG GLU 22 HG1 GLU 22 13.698 -2.901 -7.011 189 H GLN 23 HN GLN 23 13.021 -4.813 -3.199 190 HA GLN 23 HA GLN 23 14.160 -7.195 -2.197 191 1HB GLN 23 HB2 GLN 23 13.683 -4.991 -1.045 192 2HB GLN 23 HB1 GLN 23 11.998 -5.496 -0.917 193 1HG GLN 23 HG1 GLN 23 13.234 -6.024 1.152 194 2HG GLN 23 HG2 GLN 23 12.695 -7.499 0.349 195 1HE2 GLN 23 HE21 GLN 23 14.333 -9.040 0.493 196 2HE2 GLN 23 HE22 GLN 23 15.988 -8.726 0.287 197 H ILE 24 HN ILE 24 10.725 -6.427 -2.838 198 HA ILE 24 HA ILE 24 9.622 -8.843 -1.770 199 HB ILE 24 HB ILE 24 8.756 -6.889 -3.917 200 1HG1 ILE 24 HG11 ILE 24 7.615 -7.271 -1.151 201 2HG1 ILE 24 HG12 ILE 24 9.029 -6.254 -1.418 202 1HG2 ILE 24 HG21 ILE 24 7.736 -9.468 -3.532 203 2HG2 ILE 24 HG22 ILE 24 6.927 -8.139 -4.363 204 3HG2 ILE 24 HG23 ILE 24 6.628 -8.421 -2.648 205 1HD1 ILE 24 HD11 ILE 24 7.330 -4.687 -1.662 206 2HD1 ILE 24 HD12 ILE 24 6.204 -5.863 -2.342 207 3HD1 ILE 24 HD13 ILE 24 7.514 -5.220 -3.333 208 H LYS 25 HN LYS 25 10.551 -7.989 -5.134 209 HA LYS 25 HA LYS 25 9.945 -10.550 -6.276 210 1HB LYS 25 HB2 LYS 25 11.903 -8.337 -6.961 211 2HB LYS 25 HB1 LYS 25 11.605 -9.716 -8.020 212 1HG LYS 25 HG1 LYS 25 9.432 -7.854 -7.017 213 2HG LYS 25 HG2 LYS 25 10.224 -7.688 -8.584 214 1HD LYS 25 HD2 LYS 25 9.524 -10.058 -9.098 215 2HD LYS 25 HD1 LYS 25 8.576 -10.038 -7.611 216 1HE LYS 25 HE1 LYS 25 7.309 -8.068 -8.468 217 2HE LYS 25 HE2 LYS 25 8.229 -8.163 -9.981 218 1HZ LYS 25 HZ1 LYS 25 6.413 -10.198 -8.813 219 2HZ LYS 25 HZ2 LYS 25 7.530 -10.576 -10.035 220 3HZ LYS 25 HZ3 LYS 25 6.295 -9.448 -10.329 221 H ASN 26 HN ASN 26 12.956 -9.196 -4.922 222 HA ASN 26 HA ASN 26 14.643 -11.471 -5.307 223 1HB ASN 26 HB2 ASN 26 15.146 -9.054 -4.560 224 2HB ASN 26 HB1 ASN 26 14.679 -9.579 -2.949 225 1HD2 ASN 26 HD21 ASN 26 17.184 -8.901 -2.774 226 2HD2 ASN 26 HD22 ASN 26 18.278 -10.186 -2.952 227 H GLY 27 HN GLY 27 13.023 -10.425 -2.304 228 1HA GLY 27 HA2 GLY 27 13.208 -13.227 -1.325 229 2HA GLY 27 HA1 GLY 27 13.064 -11.791 -0.309 230 H ALA 28 HN ALA 28 10.930 -10.491 -1.498 231 HA ALA 28 HA ALA 28 8.585 -10.545 -1.834 232 1HB ALA 28 HB1 ALA 28 8.340 -13.462 -1.441 233 2HB ALA 28 HB2 ALA 28 9.418 -12.986 -2.753 234 3HB ALA 28 HB3 ALA 28 7.736 -12.455 -2.757 235 H ASP 29 HN ASP 29 6.705 -10.801 -0.563 236 HA ASP 29 HA ASP 29 5.627 -11.601 1.597 237 1HB ASP 29 HB2 ASP 29 8.397 -10.834 2.532 238 2HB ASP 29 HB1 ASP 29 7.047 -11.049 3.640 239 H PHE 30 HN PHE 30 4.439 -9.731 0.663 240 HA PHE 30 HA PHE 30 5.213 -7.012 0.958 241 1HB PHE 30 HB1 PHE 30 2.794 -8.607 0.427 242 2HB PHE 30 HB2 PHE 30 2.463 -7.029 1.144 243 HD1 PHE 30 HD1 PHE 30 3.537 -8.810 -1.836 244 HD2 PHE 30 HD2 PHE 30 3.394 -4.952 0.057 245 HE1 PHE 30 HE1 PHE 30 3.953 -7.719 -4.027 246 HE2 PHE 30 HE2 PHE 30 3.810 -3.862 -2.133 247 HZ PHE 30 HZ PHE 30 4.090 -5.244 -4.174 248 H GLY 31 HN GLY 31 3.277 -9.074 3.161 249 1HA GLY 31 HA1 GLY 31 2.663 -6.989 4.994 250 2HA GLY 31 HA2 GLY 31 2.606 -8.707 5.379 251 H LYS 32 HN LYS 32 5.146 -9.560 5.315 252 HA LYS 32 HA LYS 32 6.223 -8.553 7.760 253 1HB LYS 32 HB2 LYS 32 7.314 -10.290 5.530 254 2HB LYS 32 HB1 LYS 32 8.166 -10.044 7.055 255 1HG LYS 32 HG1 LYS 32 6.172 -10.885 8.278 256 2HG LYS 32 HG2 LYS 32 5.371 -11.182 6.735 257 1HD LYS 32 HD2 LYS 32 7.990 -12.439 7.610 258 2HD LYS 32 HD1 LYS 32 6.421 -13.243 7.636 259 1HE LYS 32 HE1 LYS 32 6.231 -12.913 5.174 260 2HE LYS 32 HE2 LYS 32 7.842 -12.172 5.169 261 1HZ LYS 32 HZ1 LYS 32 7.930 -14.578 4.722 262 2HZ LYS 32 HZ2 LYS 32 7.202 -14.880 6.227 263 3HZ LYS 32 HZ3 LYS 32 8.745 -14.172 6.154 264 H LEU 33 HN LEU 33 7.169 -7.986 4.369 265 HA LEU 33 HA LEU 33 9.476 -6.360 4.915 266 1HB LEU 33 HB2 LEU 33 7.501 -6.542 2.623 267 2HB LEU 33 HB1 LEU 33 8.962 -5.554 2.558 268 HG LEU 33 HG LEU 33 8.838 -8.553 2.996 269 1HD1 LEU 33 HD11 LEU 33 8.505 -7.467 0.647 270 2HD1 LEU 33 HD12 LEU 33 9.678 -8.773 0.812 271 3HD1 LEU 33 HD13 LEU 33 10.226 -7.098 0.754 272 1HD2 LEU 33 HD21 LEU 33 10.735 -8.049 4.196 273 2HD2 LEU 33 HD22 LEU 33 10.987 -6.520 3.353 274 3HD2 LEU 33 HD23 LEU 33 11.443 -8.038 2.580 275 H ALA 34 HN ALA 34 6.017 -5.619 4.513 276 HA ALA 34 HA ALA 34 6.122 -2.805 4.492 277 1HB ALA 34 HB1 ALA 34 4.136 -4.260 4.120 278 2HB ALA 34 HB2 ALA 34 3.806 -3.001 5.312 279 3HB ALA 34 HB3 ALA 34 4.124 -4.654 5.839 280 H LYS 35 HN LYS 35 5.807 -4.971 7.349 281 HA LYS 35 HA LYS 35 5.837 -2.920 9.322 282 1HB LYS 35 HB1 LYS 35 5.257 -5.355 9.580 283 2HB LYS 35 HB2 LYS 35 6.980 -5.726 9.491 284 1HG LYS 35 HG1 LYS 35 7.391 -4.294 11.461 285 2HG LYS 35 HG2 LYS 35 5.668 -3.924 11.551 286 1HD LYS 35 HD1 LYS 35 5.171 -6.321 11.884 287 2HD LYS 35 HD2 LYS 35 6.894 -6.689 11.798 288 1HE LYS 35 HE1 LYS 35 7.333 -5.396 13.810 289 2HE LYS 35 HE2 LYS 35 5.658 -4.813 13.847 290 1HZ LYS 35 HZ1 LYS 35 6.218 -7.706 13.727 291 2HZ LYS 35 HZ2 LYS 35 4.848 -6.906 14.335 292 3HZ LYS 35 HZ3 LYS 35 6.298 -6.904 15.220 293 H LYS 36 HN LYS 36 8.587 -4.922 8.148 294 HA LYS 36 HA LYS 36 10.587 -3.703 9.746 295 1HB LYS 36 HB2 LYS 36 10.851 -5.812 8.547 296 2HB LYS 36 HB1 LYS 36 10.698 -4.985 6.997 297 1HG LYS 36 HG1 LYS 36 12.740 -3.662 7.538 298 2HG LYS 36 HG2 LYS 36 12.907 -4.577 9.039 299 1HD LYS 36 HD1 LYS 36 13.189 -6.651 7.807 300 2HD LYS 36 HD2 LYS 36 12.843 -5.837 6.280 301 1HE LYS 36 HE2 LYS 36 15.169 -5.072 8.078 302 2HE LYS 36 HE1 LYS 36 15.313 -6.184 6.704 303 1HZ LYS 36 HZ1 LYS 36 14.570 -3.323 6.708 304 2HZ LYS 36 HZ2 LYS 36 14.056 -4.338 5.445 305 3HZ LYS 36 HZ3 LYS 36 15.715 -4.121 5.743 306 H HIS 37 HN HIS 37 9.735 -2.956 6.338 307 HA HIS 37 HA HIS 37 11.643 -0.818 6.092 308 1HB HIS 37 HB1 HIS 37 9.155 -1.637 4.572 309 2HB HIS 37 HB2 HIS 37 10.224 -0.345 4.029 310 HD1 HIS 37 HD1 HIS 37 12.857 -1.125 3.800 311 HD2 HIS 37 HD2 HIS 37 9.987 -4.150 3.755 312 HE1 HIS 37 HE1 HIS 37 13.982 -3.164 2.804 313 H SER 38 HN SER 38 8.162 -0.858 6.839 314 HA SER 38 HA SER 38 7.648 1.903 6.607 315 1HB SER 38 HB1 SER 38 6.038 -0.019 6.887 316 2HB SER 38 HB2 SER 38 6.463 -0.057 8.599 317 HG SER 38 HG SER 38 4.642 1.415 7.494 318 H ILE 39 HN ILE 39 8.639 0.055 9.510 319 HA ILE 39 HA ILE 39 9.339 0.864 11.642 320 HB ILE 39 HB ILE 39 11.254 0.893 9.995 321 1HG1 ILE 39 HG12 ILE 39 11.542 3.163 11.957 322 2HG1 ILE 39 HG11 ILE 39 11.346 1.504 12.521 323 1HG2 ILE 39 HG21 ILE 39 12.002 3.273 9.385 324 2HG2 ILE 39 HG22 ILE 39 10.357 3.771 9.784 325 3HG2 ILE 39 HG23 ILE 39 10.638 2.617 8.480 326 1HD1 ILE 39 HD11 ILE 39 13.308 0.810 11.219 327 2HD1 ILE 39 HD12 ILE 39 13.741 2.131 12.304 328 3HD1 ILE 39 HD13 ILE 39 13.487 2.446 10.588 329 H CYS 40 HN CYS 40 6.996 2.348 10.487 330 HA CYS 40 HA CYS 40 7.457 4.994 11.826 331 1HB CYS 40 HB1 CYS 40 6.269 6.017 10.003 332 2HB CYS 40 HB2 CYS 40 7.414 4.897 9.268 333 HG CYS 40 HG CYS 40 4.950 4.577 8.260 334 HA PRO 41 HA PRO 41 3.860 4.546 14.297 335 1HB PRO 41 HB2 PRO 41 2.285 6.653 13.170 336 2HB PRO 41 HB1 PRO 41 3.281 6.716 14.632 337 1HG PRO 41 HG1 PRO 41 3.868 7.668 11.911 338 2HG PRO 41 HG2 PRO 41 4.529 8.200 13.461 339 1HD PRO 41 HD1 PRO 41 5.955 6.751 11.675 340 2HD PRO 41 HD2 PRO 41 6.207 6.625 13.428 341 H SER 42 HN SER 42 3.457 4.857 10.801 342 HA SER 42 HA SER 42 0.882 3.354 10.944 343 1HB SER 42 HB2 SER 42 1.312 3.891 8.310 344 2HB SER 42 HB1 SER 42 0.514 5.015 9.412 345 HG SER 42 HG SER 42 2.152 6.131 8.453 346 H GLY 43 HN GLY 43 3.827 2.361 11.282 347 1HA GLY 43 HA1 GLY 43 4.043 0.360 9.138 348 2HA GLY 43 HA2 GLY 43 5.022 0.418 10.609 349 H LYS 44 HN LYS 44 3.322 0.296 12.636 350 HA LYS 44 HA LYS 44 2.353 -2.391 12.747 351 1HB LYS 44 HB2 LYS 44 3.037 -0.971 14.660 352 2HB LYS 44 HB1 LYS 44 1.641 0.068 14.378 353 1HG LYS 44 HG1 LYS 44 0.134 -1.843 14.781 354 2HG LYS 44 HG2 LYS 44 1.529 -2.887 15.059 355 1HD LYS 44 HD1 LYS 44 2.222 -1.331 16.919 356 2HD LYS 44 HD2 LYS 44 0.693 -0.479 16.704 357 1HE LYS 44 HE2 LYS 44 0.739 -3.470 17.140 358 2HE LYS 44 HE1 LYS 44 0.769 -2.344 18.511 359 1HZ LYS 44 HZ1 LYS 44 -1.221 -1.333 17.785 360 2HZ LYS 44 HZ2 LYS 44 -1.509 -3.004 17.677 361 3HZ LYS 44 HZ3 LYS 44 -1.168 -2.105 16.277 362 H ARG 45 HN ARG 45 0.680 0.702 12.115 363 HA ARG 45 HA ARG 45 -1.884 -0.772 11.783 364 1HB ARG 45 HB2 ARG 45 -2.036 1.013 13.312 365 2HB ARG 45 HB1 ARG 45 -1.009 2.062 12.335 366 1HG ARG 45 HG2 ARG 45 -3.259 2.858 12.081 367 2HG ARG 45 HG1 ARG 45 -2.841 2.034 10.581 368 1HD ARG 45 HD1 ARG 45 -4.067 0.048 11.261 369 2HD ARG 45 HD2 ARG 45 -4.351 0.725 12.874 370 HE ARG 45 HE ARG 45 -5.728 1.517 10.403 371 1HH1 ARG 45 HH11 ARG 45 -4.741 2.390 13.602 372 2HH1 ARG 45 HH12 ARG 45 -5.971 3.593 13.787 373 1HH2 ARG 45 HH21 ARG 45 -7.322 3.093 10.636 374 2HH2 ARG 45 HH22 ARG 45 -7.427 3.992 12.112 375 H GLY 46 HN GLY 46 0.219 1.538 10.051 376 1HA GLY 46 HA2 GLY 46 -1.467 1.712 7.718 377 2HA GLY 46 HA1 GLY 46 0.221 2.214 7.802 378 H GLY 47 HN GLY 47 1.138 -0.444 8.704 379 1HA GLY 47 HA2 GLY 47 1.394 -1.714 6.090 380 2HA GLY 47 HA1 GLY 47 2.078 -2.311 7.596 381 H ASP 48 HN ASP 48 -1.100 -1.673 8.229 382 HA ASP 48 HA ASP 48 -2.409 -3.971 7.046 383 1HB ASP 48 HB2 ASP 48 -0.836 -5.073 8.611 384 2HB ASP 48 HB1 ASP 48 -1.480 -4.101 9.937 385 H LEU 49 HN LEU 49 -3.708 -1.932 6.761 386 HA LEU 49 HA LEU 49 -4.900 -0.685 9.112 387 1HB LEU 49 HB1 LEU 49 -5.282 -0.482 6.114 388 2HB LEU 49 HB2 LEU 49 -6.115 0.569 7.262 389 HG LEU 49 HG LEU 49 -3.122 0.284 7.409 390 1HD1 LEU 49 HD11 LEU 49 -4.328 1.002 5.039 391 2HD1 LEU 49 HD12 LEU 49 -2.721 1.525 5.549 392 3HD1 LEU 49 HD13 LEU 49 -4.118 2.563 5.834 393 1HD2 LEU 49 HD21 LEU 49 -4.302 1.495 9.191 394 2HD2 LEU 49 HD22 LEU 49 -5.070 2.534 7.991 395 3HD2 LEU 49 HD23 LEU 49 -3.323 2.612 8.237 396 H GLY 50 HN GLY 50 -5.669 -3.409 7.146 397 1HA GLY 50 HA2 GLY 50 -7.396 -4.980 7.649 398 2HA GLY 50 HA1 GLY 50 -8.186 -3.757 8.642 399 H GLU 51 HN GLU 51 -10.217 -3.681 7.729 400 HA GLU 51 HA GLU 51 -10.398 -3.274 4.771 401 1HB GLU 51 HB2 GLU 51 -11.928 -4.711 6.819 402 2HB GLU 51 HB1 GLU 51 -12.946 -3.734 5.761 403 1HG GLU 51 HG2 GLU 51 -12.119 -4.831 3.802 404 2HG GLU 51 HG1 GLU 51 -10.814 -5.601 4.701 405 H PHE 52 HN PHE 52 -11.942 -1.648 4.031 406 HA PHE 52 HA PHE 52 -12.555 0.497 6.025 407 1HB PHE 52 HB1 PHE 52 -11.650 1.492 3.420 408 2HB PHE 52 HB2 PHE 52 -11.118 1.958 5.030 409 HD1 PHE 52 HD1 PHE 52 -8.931 1.444 5.683 410 HD2 PHE 52 HD2 PHE 52 -10.825 -0.877 2.605 411 HE1 PHE 52 HE1 PHE 52 -6.828 0.178 5.341 412 HE2 PHE 52 HE2 PHE 52 -8.730 -2.149 2.263 413 HZ PHE 52 HZ PHE 52 -6.722 -1.625 3.638 414 H ARG 53 HN ARG 53 -13.865 2.295 4.724 415 HA ARG 53 HA ARG 53 -15.462 1.354 2.472 416 1HB ARG 53 HB2 ARG 53 -17.518 1.003 3.684 417 2HB ARG 53 HB1 ARG 53 -16.275 0.076 4.526 418 1HG ARG 53 HG1 ARG 53 -15.975 1.964 6.114 419 2HG ARG 53 HG2 ARG 53 -17.270 2.837 5.294 420 1HD ARG 53 HD2 ARG 53 -18.801 0.888 5.805 421 2HD ARG 53 HD1 ARG 53 -17.503 0.219 6.813 422 HE ARG 53 HE ARG 53 -17.692 2.843 7.667 423 1HH1 ARG 53 HH11 ARG 53 -19.912 0.229 7.243 424 2HH1 ARG 53 HH12 ARG 53 -20.975 0.762 8.502 425 1HH2 ARG 53 HH21 ARG 53 -19.071 3.543 9.306 426 2HH2 ARG 53 HH22 ARG 53 -20.500 2.635 9.668 427 H GLN 54 HN GLN 54 -17.552 2.949 2.461 428 HA GLN 54 HA GLN 54 -18.024 5.228 1.879 429 1HB GLN 54 HB2 GLN 54 -17.497 5.036 4.852 430 2HB GLN 54 HB1 GLN 54 -18.264 6.437 4.107 431 1HG GLN 54 HG2 GLN 54 -20.058 5.023 3.223 432 2HG GLN 54 HG1 GLN 54 -19.271 3.584 3.874 433 1HE2 GLN 54 HE21 GLN 54 -21.939 5.057 4.556 434 2HE2 GLN 54 HE22 GLN 54 -21.881 5.204 6.246 435 H GLY 55 HN GLY 55 -15.921 6.161 4.545 436 1HA GLY 55 HA2 GLY 55 -14.850 8.387 3.260 437 2HA GLY 55 HA1 GLY 55 -14.045 7.580 4.603 438 H GLN 56 HN GLN 56 -12.062 6.692 4.151 439 HA GLN 56 HA GLN 56 -10.229 5.878 2.854 440 1HB GLN 56 HB2 GLN 56 -12.304 5.387 0.721 441 2HB GLN 56 HB1 GLN 56 -10.858 4.440 1.079 442 1HG GLN 56 HG1 GLN 56 -13.383 4.612 2.730 443 2HG GLN 56 HG2 GLN 56 -12.712 3.181 1.947 444 1HE2 GLN 56 HE21 GLN 56 -13.107 4.284 4.955 445 2HE2 GLN 56 HE22 GLN 56 -11.650 3.787 5.685 446 H MET 57 HN MET 57 -11.515 8.610 2.528 447 HA MET 57 HA MET 57 -11.971 9.294 -0.063 448 1HB MET 57 HB2 MET 57 -12.454 10.619 1.977 449 2HB MET 57 HB1 MET 57 -10.736 11.016 2.103 450 1HG MET 57 HG2 MET 57 -10.819 12.175 -0.052 451 2HG MET 57 HG1 MET 57 -12.506 11.705 -0.268 452 1HE MET 57 HE1 MET 57 -14.551 13.302 0.653 453 2HE MET 57 HE2 MET 57 -14.444 13.457 2.404 454 3HE MET 57 HE3 MET 57 -14.110 11.904 1.643 455 H VAL 58 HN VAL 58 -8.846 9.744 1.608 456 HA VAL 58 HA VAL 58 -7.360 11.218 -0.108 457 HB VAL 58 HB VAL 58 -6.321 10.324 1.822 458 1HG1 VAL 58 HG21 VAL 58 -7.024 7.610 0.683 459 2HG1 VAL 58 HG22 VAL 58 -7.727 8.372 2.112 460 3HG1 VAL 58 HG23 VAL 58 -6.039 7.852 2.126 461 1HG2 VAL 58 HG11 VAL 58 -4.258 9.746 0.998 462 2HG2 VAL 58 HG12 VAL 58 -5.001 10.200 -0.531 463 3HG2 VAL 58 HG13 VAL 58 -4.915 8.505 -0.067 464 HA PRO 59 HA PRO 59 -7.904 9.589 -4.081 465 1HB PRO 59 HB2 PRO 59 -5.479 10.507 -5.162 466 2HB PRO 59 HB1 PRO 59 -6.988 11.430 -5.068 467 1HG PRO 59 HG1 PRO 59 -4.596 11.520 -3.317 468 2HG PRO 59 HG2 PRO 59 -5.706 12.816 -3.781 469 1HD PRO 59 HD2 PRO 59 -5.757 11.667 -1.335 470 2HD PRO 59 HD1 PRO 59 -7.221 12.283 -2.130 471 H ALA 60 HN ALA 60 -4.505 9.281 -2.981 472 HA ALA 60 HA ALA 60 -3.598 7.283 -4.620 473 1HB ALA 60 HB1 ALA 60 -2.531 8.528 -2.606 474 2HB ALA 60 HB2 ALA 60 -1.971 6.889 -2.940 475 3HB ALA 60 HB3 ALA 60 -3.126 7.177 -1.639 476 H PHE 61 HN PHE 61 -5.514 6.730 -1.650 477 HA PHE 61 HA PHE 61 -5.530 3.884 -1.743 478 1HB PHE 61 HB2 PHE 61 -6.271 5.285 0.159 479 2HB PHE 61 HB1 PHE 61 -7.637 5.856 -0.800 480 HD1 PHE 61 HD1 PHE 61 -6.258 3.066 1.133 481 HD2 PHE 61 HD2 PHE 61 -9.445 4.304 -1.472 482 HE1 PHE 61 HE1 PHE 61 -7.573 1.068 1.792 483 HE2 PHE 61 HE2 PHE 61 -10.762 2.308 -0.813 484 HZ PHE 61 HZ PHE 61 -9.827 0.690 0.821 485 H ASP 62 HN ASP 62 -7.709 6.279 -3.237 486 HA ASP 62 HA ASP 62 -9.498 4.316 -4.415 487 1HB ASP 62 HB1 ASP 62 -10.006 6.715 -3.873 488 2HB ASP 62 HB2 ASP 62 -8.933 7.195 -5.188 489 H LYS 63 HN LYS 63 -6.657 6.102 -5.567 490 HA LYS 63 HA LYS 63 -6.832 5.585 -8.310 491 1HB LYS 63 HB1 LYS 63 -5.194 7.042 -7.143 492 2HB LYS 63 HB2 LYS 63 -4.378 5.608 -6.522 493 1HG LYS 63 HG1 LYS 63 -3.912 4.872 -8.833 494 2HG LYS 63 HG2 LYS 63 -4.729 6.307 -9.454 495 1HD LYS 63 HD2 LYS 63 -3.090 7.722 -8.195 496 2HD LYS 63 HD1 LYS 63 -2.234 6.251 -7.729 497 1HE LYS 63 HE1 LYS 63 -1.798 5.721 -10.089 498 2HE LYS 63 HE2 LYS 63 -2.724 7.148 -10.594 499 1HZ LYS 63 HZ1 LYS 63 -1.223 8.540 -9.318 500 2HZ LYS 63 HZ2 LYS 63 -0.334 7.625 -10.441 501 3HZ LYS 63 HZ3 LYS 63 -0.348 7.183 -8.800 502 H VAL 64 HN VAL 64 -5.167 3.560 -5.858 503 HA VAL 64 HA VAL 64 -4.341 1.587 -7.761 504 HB VAL 64 HB VAL 64 -3.161 1.840 -5.699 505 1HG1 VAL 64 HG21 VAL 64 -4.161 2.304 -3.731 506 2HG1 VAL 64 HG22 VAL 64 -5.133 0.837 -3.815 507 3HG1 VAL 64 HG23 VAL 64 -5.698 2.312 -4.590 508 1HG2 VAL 64 HG11 VAL 64 -4.735 -0.705 -5.297 509 2HG2 VAL 64 HG12 VAL 64 -3.037 -0.406 -4.927 510 3HG2 VAL 64 HG13 VAL 64 -3.567 -0.523 -6.605 511 H VAL 65 HN VAL 65 -7.104 1.476 -5.425 512 HA VAL 65 HA VAL 65 -8.082 -1.075 -6.284 513 HB VAL 65 HB VAL 65 -8.769 0.460 -4.302 514 1HG1 VAL 65 HG21 VAL 65 -9.350 2.460 -5.555 515 2HG1 VAL 65 HG22 VAL 65 -10.816 1.818 -4.816 516 3HG1 VAL 65 HG23 VAL 65 -10.508 1.557 -6.533 517 1HG2 VAL 65 HG11 VAL 65 -9.940 -1.701 -5.502 518 2HG2 VAL 65 HG12 VAL 65 -11.253 -0.525 -5.567 519 3HG2 VAL 65 HG13 VAL 65 -10.533 -0.955 -4.016 520 H PHE 66 HN PHE 66 -8.164 2.119 -7.712 521 HA PHE 66 HA PHE 66 -10.016 1.236 -9.871 522 1HB PHE 66 HB1 PHE 66 -10.090 3.503 -8.704 523 2HB PHE 66 HB2 PHE 66 -8.556 3.867 -9.496 524 HD1 PHE 66 HD1 PHE 66 -8.441 4.378 -11.845 525 HD2 PHE 66 HD2 PHE 66 -12.133 3.065 -10.077 526 HE1 PHE 66 HE1 PHE 66 -9.656 5.002 -13.917 527 HE2 PHE 66 HE2 PHE 66 -13.348 3.691 -12.148 528 HZ PHE 66 HZ PHE 66 -12.111 4.659 -14.069 529 H SER 67 HN SER 67 -6.694 1.293 -9.140 530 HA SER 67 HA SER 67 -5.788 1.409 -11.950 531 1HB SER 67 HB1 SER 67 -4.592 2.468 -9.963 532 2HB SER 67 HB2 SER 67 -4.206 0.828 -9.445 533 HG SER 67 HG SER 67 -3.307 2.268 -11.660 534 H CYS 68 HN CYS 68 -5.863 -0.870 -9.202 535 HA CYS 68 HA CYS 68 -5.811 -3.111 -11.184 536 1HB CYS 68 HB2 CYS 68 -4.182 -2.878 -8.632 537 2HB CYS 68 HB1 CYS 68 -4.174 -4.253 -9.741 538 HG CYS 68 HG CYS 68 -2.433 -3.031 -10.999 539 HA PRO 69 HA PRO 69 -9.111 -4.562 -8.684 540 1HB PRO 69 HB1 PRO 69 -9.130 -7.179 -9.464 541 2HB PRO 69 HB2 PRO 69 -9.688 -5.856 -10.506 542 1HG PRO 69 HG2 PRO 69 -7.137 -7.374 -10.562 543 2HG PRO 69 HG1 PRO 69 -8.075 -6.692 -11.897 544 1HD PRO 69 HD2 PRO 69 -5.785 -5.570 -10.811 545 2HD PRO 69 HD1 PRO 69 -6.993 -4.697 -11.775 546 H VAL 70 HN VAL 70 -9.569 -6.644 -7.238 547 HA VAL 70 HA VAL 70 -7.737 -6.721 -5.052 548 HB VAL 70 HB VAL 70 -10.141 -7.244 -4.962 549 1HG1 VAL 70 HG11 VAL 70 -10.505 -8.267 -7.089 550 2HG1 VAL 70 HG12 VAL 70 -10.849 -9.513 -5.888 551 3HG1 VAL 70 HG13 VAL 70 -9.317 -9.529 -6.763 552 1HG2 VAL 70 HG21 VAL 70 -8.085 -9.125 -3.996 553 2HG2 VAL 70 HG22 VAL 70 -9.713 -9.789 -4.049 554 3HG2 VAL 70 HG23 VAL 70 -9.386 -8.331 -3.114 555 H LEU 71 HN LEU 71 -6.379 -8.542 -4.376 556 HA LEU 71 HA LEU 71 -4.694 -10.147 -4.744 557 1HB LEU 71 HB2 LEU 71 -6.666 -10.813 -6.950 558 2HB LEU 71 HB1 LEU 71 -5.223 -11.773 -6.638 559 HG LEU 71 HG LEU 71 -6.226 -11.615 -4.125 560 1HD1 LEU 71 HD21 LEU 71 -8.498 -11.350 -4.029 561 2HD1 LEU 71 HD22 LEU 71 -8.752 -12.125 -5.592 562 3HD1 LEU 71 HD23 LEU 71 -8.246 -10.437 -5.518 563 1HD2 LEU 71 HD11 LEU 71 -7.191 -13.604 -6.202 564 2HD2 LEU 71 HD12 LEU 71 -7.019 -13.882 -4.468 565 3HD2 LEU 71 HD13 LEU 71 -5.588 -13.648 -5.471 566 H GLU 72 HN GLU 72 -4.361 -7.494 -5.796 567 HA GLU 72 HA GLU 72 -2.376 -8.099 -7.914 568 1HB GLU 72 HB1 GLU 72 -4.990 -6.966 -8.350 569 2HB GLU 72 HB2 GLU 72 -3.762 -5.762 -8.735 570 1HG GLU 72 HG2 GLU 72 -3.402 -8.573 -9.717 571 2HG GLU 72 HG1 GLU 72 -4.522 -7.507 -10.566 572 HA PRO 73 HA PRO 73 -0.640 -5.159 -4.937 573 1HB PRO 73 HB2 PRO 73 1.961 -5.623 -5.751 574 2HB PRO 73 HB1 PRO 73 1.113 -6.589 -4.529 575 1HG PRO 73 HG1 PRO 73 1.617 -7.172 -7.402 576 2HG PRO 73 HG2 PRO 73 1.588 -8.271 -6.014 577 1HD PRO 73 HD1 PRO 73 -0.450 -8.059 -7.811 578 2HD PRO 73 HD2 PRO 73 -0.686 -8.539 -6.117 579 H THR 74 HN THR 74 -0.275 -2.987 -5.363 580 HA THR 74 HA THR 74 0.697 -2.217 -8.088 581 HB THR 74 HB THR 74 -1.747 -1.164 -6.627 582 HG1 THR 74 HG1 THR 74 -2.465 -2.952 -7.507 583 1HG2 THR 74 HG21 THR 74 -0.557 0.534 -7.999 584 2HG2 THR 74 HG22 THR 74 -2.143 0.133 -8.660 585 3HG2 THR 74 HG23 THR 74 -0.685 -0.536 -9.395 586 H GLY 75 HN GLY 75 1.847 -0.240 -8.115 587 1HA GLY 75 HA1 GLY 75 2.229 1.946 -6.848 588 2HA GLY 75 HA2 GLY 75 2.416 0.928 -5.421 589 HA PRO 76 HA PRO 76 3.755 2.003 -4.413 590 1HB PRO 76 HB1 PRO 76 5.708 3.897 -4.089 591 2HB PRO 76 HB2 PRO 76 5.858 2.234 -3.494 592 1HG PRO 76 HG2 PRO 76 7.021 3.495 -5.926 593 2HG PRO 76 HG1 PRO 76 7.721 2.288 -4.836 594 1HD PRO 76 HD1 PRO 76 6.642 1.704 -7.289 595 2HD PRO 76 HD2 PRO 76 6.751 0.546 -5.948 596 H LEU 77 HN LEU 77 2.362 3.749 -4.364 597 HA LEU 77 HA LEU 77 2.073 5.317 -6.851 598 1HB LEU 77 HB2 LEU 77 0.437 4.889 -4.339 599 2HB LEU 77 HB1 LEU 77 -0.081 5.955 -5.642 600 HG LEU 77 HG LEU 77 0.626 3.030 -6.021 601 1HD1 LEU 77 HD11 LEU 77 -2.069 3.276 -6.495 602 2HD1 LEU 77 HD12 LEU 77 -1.845 4.372 -5.132 603 3HD1 LEU 77 HD13 LEU 77 -1.371 2.679 -4.989 604 1HD2 LEU 77 HD21 LEU 77 -0.670 3.448 -8.174 605 2HD2 LEU 77 HD22 LEU 77 0.897 4.249 -8.068 606 3HD2 LEU 77 HD23 LEU 77 -0.583 5.167 -7.792 607 H HIS 78 HN HIS 78 1.456 7.700 -6.559 608 HA HIS 78 HA HIS 78 3.371 8.979 -4.662 609 1HB HIS 78 HB1 HIS 78 3.399 9.400 -7.152 610 2HB HIS 78 HB2 HIS 78 1.803 10.136 -6.988 611 HD1 HIS 78 HD1 HIS 78 5.383 10.857 -6.639 612 HD2 HIS 78 HD2 HIS 78 1.830 12.503 -5.215 613 HE1 HIS 78 HE1 HIS 78 5.958 13.170 -5.783 614 H THR 79 HN THR 79 2.488 9.736 -2.777 615 HA THR 79 HA THR 79 -0.140 11.133 -2.911 616 HB THR 79 HB THR 79 -0.431 8.727 -2.186 617 HG1 THR 79 HG1 THR 79 -1.888 9.330 -0.746 618 1HG2 THR 79 HG21 THR 79 0.322 8.329 0.238 619 2HG2 THR 79 HG22 THR 79 1.402 9.703 0.006 620 3HG2 THR 79 HG23 THR 79 1.575 8.266 -1.002 621 H GLN 80 HN GLN 80 -0.455 12.478 -0.880 622 HA GLN 80 HA GLN 80 1.776 14.157 -0.422 623 1HB GLN 80 HB1 GLN 80 0.321 15.190 1.207 624 2HB GLN 80 HB2 GLN 80 -0.704 14.586 -0.096 625 1HG GLN 80 HG2 GLN 80 -1.060 12.490 1.256 626 2HG GLN 80 HG1 GLN 80 -0.195 13.264 2.584 627 1HE2 GLN 80 HE21 GLN 80 -1.731 13.973 4.076 628 2HE2 GLN 80 HE22 GLN 80 -3.175 14.771 3.680 629 H PHE 81 HN PHE 81 0.614 11.351 1.413 630 HA PHE 81 HA PHE 81 2.233 11.642 3.743 631 1HB PHE 81 HB2 PHE 81 1.267 9.172 2.259 632 2HB PHE 81 HB1 PHE 81 1.812 9.200 3.936 633 HD1 PHE 81 HD1 PHE 81 -0.935 9.877 1.659 634 HD2 PHE 81 HD2 PHE 81 0.554 10.589 5.629 635 HE1 PHE 81 HE1 PHE 81 -3.206 10.560 2.388 636 HE2 PHE 81 HE2 PHE 81 -1.718 11.272 6.358 637 HZ PHE 81 HZ PHE 81 -3.599 11.258 4.738 638 H GLY 82 HN GLY 82 3.004 10.551 0.489 639 1HA GLY 82 HA2 GLY 82 5.618 10.897 0.216 640 2HA GLY 82 HA1 GLY 82 5.664 9.579 1.384 641 H TYR 83 HN TYR 83 6.259 7.792 0.224 642 HA TYR 83 HA TYR 83 5.001 7.299 -2.433 643 1HB TYR 83 HB1 TYR 83 7.315 6.100 -0.890 644 2HB TYR 83 HB2 TYR 83 6.726 5.408 -2.402 645 HD1 TYR 83 HD1 TYR 83 6.953 6.605 -4.517 646 HD2 TYR 83 HD2 TYR 83 8.431 8.296 -0.852 647 HE1 TYR 83 HE1 TYR 83 8.245 8.281 -5.811 648 HE2 TYR 83 HE2 TYR 83 9.724 9.972 -2.147 649 HH TYR 83 HH TYR 83 9.163 10.794 -5.161 650 H HIS 84 HN HIS 84 3.194 6.082 -2.447 651 HA HIS 84 HA HIS 84 2.642 4.259 -0.129 652 1HB HIS 84 HB2 HIS 84 1.066 6.182 -1.738 653 2HB HIS 84 HB1 HIS 84 0.251 4.654 -1.436 654 HD1 HIS 84 HD1 HIS 84 -1.251 6.481 0.041 655 HD2 HIS 84 HD2 HIS 84 2.468 5.363 1.552 656 HE1 HIS 84 HE1 HIS 84 -1.274 7.076 2.498 657 H ILE 85 HN ILE 85 3.030 2.138 -0.690 658 HA ILE 85 HA ILE 85 2.031 1.248 -3.386 659 HB ILE 85 HB ILE 85 4.492 0.912 -2.779 660 1HG1 ILE 85 HG12 ILE 85 3.130 -1.746 -3.124 661 2HG1 ILE 85 HG11 ILE 85 2.974 -0.519 -4.379 662 1HG2 ILE 85 HG21 ILE 85 3.796 0.283 -0.361 663 2HG2 ILE 85 HG22 ILE 85 5.084 -0.656 -1.118 664 3HG2 ILE 85 HG23 ILE 85 3.448 -1.312 -1.031 665 1HD1 ILE 85 HD11 ILE 85 5.053 -2.300 -4.206 666 2HD1 ILE 85 HD12 ILE 85 5.725 -0.894 -3.381 667 3HD1 ILE 85 HD13 ILE 85 5.140 -0.747 -5.039 668 H ILE 86 HN ILE 86 0.286 -0.142 -3.342 669 HA ILE 86 HA ILE 86 -0.531 -1.275 -0.686 670 HB ILE 86 HB ILE 86 -2.180 0.272 -2.713 671 1HG1 ILE 86 HG11 ILE 86 -1.405 1.036 0.113 672 2HG1 ILE 86 HG12 ILE 86 -0.531 1.589 -1.314 673 1HG2 ILE 86 HG21 ILE 86 -2.845 -1.276 -0.237 674 2HG2 ILE 86 HG22 ILE 86 -3.756 -1.122 -1.739 675 3HG2 ILE 86 HG23 ILE 86 -3.751 0.199 -0.571 676 1HD1 ILE 86 HD11 ILE 86 -2.106 3.317 -0.833 677 2HD1 ILE 86 HD12 ILE 86 -3.406 2.155 -0.560 678 3HD1 ILE 86 HD13 ILE 86 -2.791 2.423 -2.191 679 H LYS 87 HN LYS 87 -1.553 -3.281 -0.799 680 HA LYS 87 HA LYS 87 -2.233 -4.302 -3.543 681 1HB LYS 87 HB2 LYS 87 -1.549 -6.506 -2.811 682 2HB LYS 87 HB1 LYS 87 -0.242 -5.389 -2.420 683 1HG LYS 87 HG2 LYS 87 -1.076 -5.224 -0.105 684 2HG LYS 87 HG1 LYS 87 -2.383 -6.342 -0.496 685 1HD LYS 87 HD2 LYS 87 -0.629 -8.029 -1.164 686 2HD LYS 87 HD1 LYS 87 0.593 -6.921 -0.538 687 1HE LYS 87 HE1 LYS 87 0.088 -8.460 1.251 688 2HE LYS 87 HE2 LYS 87 -0.732 -6.942 1.658 689 1HZ LYS 87 HZ1 LYS 87 -2.058 -9.184 1.625 690 2HZ LYS 87 HZ2 LYS 87 -2.108 -8.899 -0.049 691 3HZ LYS 87 HZ3 LYS 87 -2.767 -7.764 1.029 692 H VAL 88 HN VAL 88 -4.288 -5.209 -3.720 693 HA VAL 88 HA VAL 88 -6.075 -4.537 -1.444 694 HB VAL 88 HB VAL 88 -6.541 -4.972 -4.411 695 1HG1 VAL 88 HG11 VAL 88 -8.616 -3.475 -3.638 696 2HG1 VAL 88 HG12 VAL 88 -8.321 -4.302 -2.109 697 3HG1 VAL 88 HG13 VAL 88 -8.671 -5.237 -3.563 698 1HG2 VAL 88 HG21 VAL 88 -5.821 -2.607 -2.727 699 2HG2 VAL 88 HG22 VAL 88 -6.927 -2.359 -4.079 700 3HG2 VAL 88 HG23 VAL 88 -5.314 -3.010 -4.368 701 H LEU 89 HN LEU 89 -7.214 -6.101 -0.385 702 HA LEU 89 HA LEU 89 -7.560 -8.769 -1.658 703 1HB LEU 89 HB2 LEU 89 -7.425 -7.918 1.256 704 2HB LEU 89 HB1 LEU 89 -7.721 -9.565 0.703 705 HG LEU 89 HG LEU 89 -5.254 -7.961 -0.022 706 1HD1 LEU 89 HD11 LEU 89 -4.499 -8.415 2.052 707 2HD1 LEU 89 HD12 LEU 89 -4.593 -10.130 1.656 708 3HD1 LEU 89 HD13 LEU 89 -5.961 -9.329 2.429 709 1HD2 LEU 89 HD21 LEU 89 -4.761 -9.690 -1.382 710 2HD2 LEU 89 HD22 LEU 89 -6.385 -10.313 -1.090 711 3HD2 LEU 89 HD23 LEU 89 -5.040 -10.848 -0.083 712 H TYR 90 HN TYR 90 -9.547 -9.714 -0.202 713 HA TYR 90 HA TYR 90 -11.933 -9.756 -0.347 714 1HB TYR 90 HB2 TYR 90 -11.026 -7.504 1.449 715 2HB TYR 90 HB1 TYR 90 -12.721 -7.993 1.360 716 HD1 TYR 90 HD1 TYR 90 -13.448 -10.188 2.149 717 HD2 TYR 90 HD2 TYR 90 -9.323 -8.998 2.380 718 HE1 TYR 90 HE1 TYR 90 -12.989 -12.081 3.687 719 HE2 TYR 90 HE2 TYR 90 -8.864 -10.892 3.919 720 HH TYR 90 HH TYR 90 -10.636 -13.471 4.238 721 H ARG 91 HN ARG 91 -11.809 -6.228 -0.008 722 HA ARG 91 HA ARG 91 -12.671 -4.535 -1.423 723 1HB ARG 91 HB1 ARG 91 -10.890 -5.800 -2.825 724 2HB ARG 91 HB2 ARG 91 -12.269 -6.511 -3.661 725 1HG ARG 91 HG1 ARG 91 -13.102 -4.281 -4.238 726 2HG ARG 91 HG2 ARG 91 -11.785 -3.533 -3.336 727 1HD ARG 91 HD1 ARG 91 -10.890 -3.495 -5.496 728 2HD ARG 91 HD2 ARG 91 -10.300 -5.076 -4.947 729 HE ARG 91 HE ARG 91 -11.844 -6.090 -6.431 730 1HH1 ARG 91 HH11 ARG 91 -12.658 -2.794 -5.782 731 2HH1 ARG 91 HH12 ARG 91 -13.954 -2.756 -6.929 732 1HH2 ARG 91 HH21 ARG 91 -13.531 -6.046 -7.930 733 2HH2 ARG 91 HH22 ARG 91 -14.448 -4.593 -8.143 734 H ASN 92 HN ASN 92 -14.621 -6.078 -0.172 735 HA ASN 92 HA ASN 92 -16.610 -6.961 -2.162 736 1HB ASN 92 HB1 ASN 92 -16.582 -8.184 -0.137 737 2HB ASN 92 HB2 ASN 92 -16.415 -6.727 0.841 738 1HD2 ASN 92 HD21 ASN 92 -18.733 -6.749 -1.812 739 2HD2 ASN 92 HD22 ASN 92 -20.124 -6.815 -0.842 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 -19.071 -2.478 -4.161 2 2H ALA 1 HT2 ALA 1 -17.709 -3.315 -4.734 3 3H ALA 1 HT3 ALA 1 -17.554 -1.720 -4.171 4 HA ALA 1 HA ALA 1 -18.444 -3.958 -2.430 5 1HB ALA 1 HB1 ALA 1 -15.674 -2.793 -2.471 6 2HB ALA 1 HB2 ALA 1 -16.105 -4.013 -3.670 7 3HB ALA 1 HB3 ALA 1 -16.197 -4.396 -1.950 8 H LYS 2 HN LYS 2 -19.220 -3.085 -0.549 9 HA LYS 2 HA LYS 2 -19.326 -0.284 0.029 10 1HB LYS 2 HB2 LYS 2 -19.428 -2.724 1.842 11 2HB LYS 2 HB1 LYS 2 -20.042 -1.121 2.252 12 1HG LYS 2 HG1 LYS 2 -21.516 -1.273 0.219 13 2HG LYS 2 HG2 LYS 2 -21.023 -2.952 0.051 14 1HD LYS 2 HD2 LYS 2 -23.036 -3.070 1.295 15 2HD LYS 2 HD1 LYS 2 -21.767 -3.220 2.511 16 1HE LYS 2 HE1 LYS 2 -22.154 -1.088 3.366 17 2HE LYS 2 HE2 LYS 2 -22.785 -0.476 1.824 18 1HZ LYS 2 HZ1 LYS 2 -24.112 -2.138 3.856 19 2HZ LYS 2 HZ2 LYS 2 -24.548 -2.349 2.228 20 3HZ LYS 2 HZ3 LYS 2 -24.730 -0.831 2.969 21 H THR 3 HN THR 3 -17.174 -2.867 1.084 22 HA THR 3 HA THR 3 -15.084 -0.830 1.700 23 HB THR 3 HB THR 3 -14.579 -2.190 3.788 24 HG1 THR 3 HG1 THR 3 -16.802 -3.262 4.329 25 1HG2 THR 3 HG21 THR 3 -16.938 -0.472 3.298 26 2HG2 THR 3 HG22 THR 3 -15.637 -0.291 4.474 27 3HG2 THR 3 HG23 THR 3 -16.974 -1.393 4.801 28 H ALA 4 HN ALA 4 -12.907 -1.743 1.575 29 HA ALA 4 HA ALA 4 -12.762 -4.449 0.291 30 1HB ALA 4 HB1 ALA 4 -10.991 -3.424 -1.167 31 2HB ALA 4 HB2 ALA 4 -11.349 -1.861 -0.435 32 3HB ALA 4 HB3 ALA 4 -12.577 -2.686 -1.395 33 H ALA 5 HN ALA 5 -10.608 -5.485 0.602 34 HA ALA 5 HA ALA 5 -9.418 -4.701 3.225 35 1HB ALA 5 HB1 ALA 5 -10.135 -7.016 2.882 36 2HB ALA 5 HB2 ALA 5 -8.375 -6.972 2.996 37 3HB ALA 5 HB3 ALA 5 -9.154 -7.130 1.422 38 H ALA 6 HN ALA 6 -7.481 -3.609 3.258 39 HA ALA 6 HA ALA 6 -5.873 -3.599 0.719 40 1HB ALA 6 HB1 ALA 6 -5.835 -1.086 2.116 41 2HB ALA 6 HB2 ALA 6 -7.508 -1.609 1.919 42 3HB ALA 6 HB3 ALA 6 -6.462 -1.435 0.507 43 H LEU 7 HN LEU 7 -3.704 -3.882 0.997 44 HA LEU 7 HA LEU 7 -2.521 -3.481 3.731 45 1HB LEU 7 HB1 LEU 7 -1.500 -4.931 1.263 46 2HB LEU 7 HB2 LEU 7 -0.659 -4.846 2.811 47 HG LEU 7 HG LEU 7 -3.332 -6.156 2.247 48 1HD1 LEU 7 HD11 LEU 7 -0.611 -7.067 2.323 49 2HD1 LEU 7 HD12 LEU 7 -2.072 -8.008 2.020 50 3HD1 LEU 7 HD13 LEU 7 -1.488 -7.792 3.671 51 1HD2 LEU 7 HD21 LEU 7 -1.950 -5.455 4.840 52 2HD2 LEU 7 HD22 LEU 7 -3.112 -6.779 4.739 53 3HD2 LEU 7 HD23 LEU 7 -3.619 -5.131 4.369 54 H HIS 8 HN HIS 8 -0.730 -1.994 3.896 55 HA HIS 8 HA HIS 8 -0.093 -0.446 1.411 56 1HB HIS 8 HB1 HIS 8 -1.193 0.591 4.041 57 2HB HIS 8 HB2 HIS 8 -0.484 1.631 2.807 58 HD1 HIS 8 HD1 HIS 8 -2.102 2.550 1.185 59 HD2 HIS 8 HD2 HIS 8 -3.442 -1.059 2.782 60 HE1 HIS 8 HE1 HIS 8 -4.397 2.142 0.202 61 H ILE 9 HN ILE 9 2.014 0.130 1.306 62 HA ILE 9 HA ILE 9 3.516 0.425 3.874 63 HB ILE 9 HB ILE 9 4.565 -0.546 1.197 64 1HG1 ILE 9 HG11 ILE 9 4.462 -1.978 3.865 65 2HG1 ILE 9 HG12 ILE 9 3.255 -2.195 2.599 66 1HG2 ILE 9 HG21 ILE 9 6.132 0.938 2.468 67 2HG2 ILE 9 HG22 ILE 9 6.724 -0.716 2.297 68 3HG2 ILE 9 HG23 ILE 9 6.024 -0.183 3.826 69 1HD1 ILE 9 HD11 ILE 9 5.541 -2.536 1.161 70 2HD1 ILE 9 HD12 ILE 9 4.649 -3.863 1.905 71 3HD1 ILE 9 HD13 ILE 9 6.047 -3.170 2.727 72 H LEU 10 HN LEU 10 4.089 2.519 4.146 73 HA LEU 10 HA LEU 10 4.041 4.370 1.807 74 1HB LEU 10 HB2 LEU 10 2.690 4.602 4.026 75 2HB LEU 10 HB1 LEU 10 4.229 5.082 4.738 76 HG LEU 10 HG LEU 10 2.635 6.472 2.588 77 1HD1 LEU 10 HD11 LEU 10 2.423 6.973 5.081 78 2HD1 LEU 10 HD12 LEU 10 2.809 8.351 4.053 79 3HD1 LEU 10 HD13 LEU 10 4.077 7.579 5.003 80 1HD2 LEU 10 HD21 LEU 10 5.571 6.893 3.231 81 2HD2 LEU 10 HD22 LEU 10 4.594 7.943 2.205 82 3HD2 LEU 10 HD23 LEU 10 4.923 6.284 1.708 83 H VAL 11 HN VAL 11 6.036 4.900 0.982 84 HA VAL 11 HA VAL 11 8.414 4.686 2.797 85 HB VAL 11 HB VAL 11 8.527 4.906 -0.202 86 1HG1 VAL 11 HG21 VAL 11 10.270 2.985 1.061 87 2HG1 VAL 11 HG22 VAL 11 10.374 4.532 1.903 88 3HG1 VAL 11 HG23 VAL 11 10.696 4.446 0.171 89 1HG2 VAL 11 HG11 VAL 11 8.476 2.359 -0.213 90 2HG2 VAL 11 HG12 VAL 11 6.920 3.138 0.076 91 3HG2 VAL 11 HG13 VAL 11 7.824 2.447 1.423 92 H LYS 12 HN LYS 12 9.322 6.579 3.409 93 HA LYS 12 HA LYS 12 8.502 9.176 2.421 94 1HB LYS 12 HB1 LYS 12 9.349 8.719 4.694 95 2HB LYS 12 HB2 LYS 12 10.907 8.237 4.024 96 1HG LYS 12 HG2 LYS 12 10.999 10.560 4.832 97 2HG LYS 12 HG1 LYS 12 11.193 10.508 3.080 98 1HD LYS 12 HD2 LYS 12 8.850 11.108 2.762 99 2HD LYS 12 HD1 LYS 12 8.567 11.041 4.502 100 1HE LYS 12 HE1 LYS 12 10.670 12.876 3.328 101 2HE LYS 12 HE2 LYS 12 8.979 13.384 3.491 102 1HZ LYS 12 HZ1 LYS 12 9.026 13.021 5.794 103 2HZ LYS 12 HZ2 LYS 12 10.502 13.798 5.475 104 3HZ LYS 12 HZ3 LYS 12 10.459 12.118 5.724 105 H GLU 13 HN GLU 13 11.323 7.073 1.830 106 HA GLU 13 HA GLU 13 12.350 9.067 -0.140 107 1HB GLU 13 HB1 GLU 13 13.544 6.780 1.437 108 2HB GLU 13 HB2 GLU 13 14.439 7.617 0.168 109 1HG GLU 13 HG1 GLU 13 14.145 9.750 1.333 110 2HG GLU 13 HG2 GLU 13 13.176 8.958 2.573 111 H GLU 14 HN GLU 14 12.523 8.554 -2.275 112 HA GLU 14 HA GLU 14 11.262 6.255 -3.464 113 1HB GLU 14 HB2 GLU 14 13.322 8.276 -4.386 114 2HB GLU 14 HB1 GLU 14 12.648 7.053 -5.460 115 1HG GLU 14 HG1 GLU 14 10.384 7.903 -5.051 116 2HG GLU 14 HG2 GLU 14 11.016 9.094 -3.912 117 H LYS 15 HN LYS 15 14.652 6.975 -2.599 118 HA LYS 15 HA LYS 15 15.870 4.678 -3.741 119 1HB LYS 15 HB1 LYS 15 16.454 6.443 -1.360 120 2HB LYS 15 HB2 LYS 15 17.541 5.133 -1.820 121 1HG LYS 15 HG2 LYS 15 17.753 6.102 -4.082 122 2HG LYS 15 HG1 LYS 15 16.665 7.412 -3.622 123 1HD LYS 15 HD2 LYS 15 18.228 8.217 -1.963 124 2HD LYS 15 HD1 LYS 15 19.261 6.804 -2.180 125 1HE LYS 15 HE1 LYS 15 19.687 7.500 -4.534 126 2HE LYS 15 HE2 LYS 15 18.701 8.949 -4.263 127 1HZ LYS 15 HZ1 LYS 15 20.186 9.264 -2.216 128 2HZ LYS 15 HZ2 LYS 15 20.855 9.636 -3.732 129 3HZ LYS 15 HZ3 LYS 15 21.246 8.172 -2.965 130 H LEU 16 HN LEU 16 14.329 5.118 -0.551 131 HA LEU 16 HA LEU 16 14.890 2.430 0.390 132 1HB LEU 16 HB2 LEU 16 14.204 4.564 1.679 133 2HB LEU 16 HB1 LEU 16 12.558 4.197 1.161 134 HG LEU 16 HG LEU 16 14.026 1.898 2.291 135 1HD1 LEU 16 HD11 LEU 16 13.050 3.992 4.225 136 2HD1 LEU 16 HD12 LEU 16 14.717 4.009 3.650 137 3HD1 LEU 16 HD13 LEU 16 14.103 2.611 4.533 138 1HD2 LEU 16 HD21 LEU 16 11.631 1.842 1.704 139 2HD2 LEU 16 HD22 LEU 16 11.320 3.156 2.838 140 3HD2 LEU 16 HD23 LEU 16 11.857 1.585 3.434 141 H ALA 17 HN ALA 17 12.236 3.979 -1.385 142 HA ALA 17 HA ALA 17 10.417 1.778 -1.515 143 1HB ALA 17 HB1 ALA 17 10.396 3.239 -3.949 144 2HB ALA 17 HB2 ALA 17 10.864 4.377 -2.686 145 3HB ALA 17 HB3 ALA 17 9.351 3.481 -2.549 146 H LEU 18 HN LEU 18 13.144 2.712 -3.646 147 HA LEU 18 HA LEU 18 12.907 0.561 -5.523 148 1HB LEU 18 HB2 LEU 18 14.755 2.665 -4.748 149 2HB LEU 18 HB1 LEU 18 15.633 1.191 -5.152 150 HG LEU 18 HG LEU 18 13.559 1.532 -7.092 151 1HD1 LEU 18 HD21 LEU 18 13.952 3.984 -6.140 152 2HD1 LEU 18 HD22 LEU 18 13.767 3.702 -7.871 153 3HD1 LEU 18 HD23 LEU 18 15.376 3.908 -7.179 154 1HD2 LEU 18 HD11 LEU 18 16.551 1.484 -6.988 155 2HD2 LEU 18 HD12 LEU 18 15.774 2.003 -8.484 156 3HD2 LEU 18 HD13 LEU 18 15.442 0.400 -7.829 157 H ASP 19 HN ASP 19 14.667 0.852 -2.443 158 HA ASP 19 HA ASP 19 15.815 -1.782 -2.361 159 1HB ASP 19 HB2 ASP 19 16.309 0.206 -0.889 160 2HB ASP 19 HB1 ASP 19 14.737 -0.037 -0.122 161 H LEU 20 HN LEU 20 12.678 -0.460 -1.352 162 HA LEU 20 HA LEU 20 11.628 -2.809 -0.107 163 1HB LEU 20 HB1 LEU 20 10.475 -0.874 0.393 164 2HB LEU 20 HB2 LEU 20 10.712 -0.200 -1.219 165 HG LEU 20 HG LEU 20 9.002 -2.611 -1.109 166 1HD1 LEU 20 HD11 LEU 20 8.568 -0.718 0.875 167 2HD1 LEU 20 HD12 LEU 20 7.351 -1.827 0.241 168 3HD1 LEU 20 HD13 LEU 20 7.488 -0.196 -0.418 169 1HD2 LEU 20 HD21 LEU 20 8.778 -1.705 -3.168 170 2HD2 LEU 20 HD22 LEU 20 9.344 -0.123 -2.639 171 3HD2 LEU 20 HD23 LEU 20 7.658 -0.586 -2.396 172 H LEU 21 HN LEU 21 11.003 -1.482 -3.360 173 HA LEU 21 HA LEU 21 9.452 -3.589 -4.418 174 1HB LEU 21 HB2 LEU 21 11.349 -1.519 -5.506 175 2HB LEU 21 HB1 LEU 21 10.646 -2.705 -6.603 176 HG LEU 21 HG LEU 21 8.519 -1.755 -4.992 177 1HD1 LEU 21 HD11 LEU 21 9.098 0.724 -6.181 178 2HD1 LEU 21 HD12 LEU 21 10.590 0.256 -5.373 179 3HD1 LEU 21 HD13 LEU 21 9.084 0.369 -4.453 180 1HD2 LEU 21 HD21 LEU 21 9.378 -1.727 -7.828 181 2HD2 LEU 21 HD22 LEU 21 8.160 -0.530 -7.385 182 3HD2 LEU 21 HD23 LEU 21 7.848 -2.245 -7.119 183 H GLU 22 HN GLU 22 12.970 -3.185 -4.280 184 HA GLU 22 HA GLU 22 13.728 -5.371 -5.922 185 1HB GLU 22 HB1 GLU 22 15.181 -3.535 -5.096 186 2HB GLU 22 HB2 GLU 22 15.093 -4.213 -3.470 187 1HG GLU 22 HG2 GLU 22 16.196 -6.245 -4.190 188 2HG GLU 22 HG1 GLU 22 16.123 -5.740 -5.878 189 H GLN 23 HN GLN 23 13.356 -5.276 -2.359 190 HA GLN 23 HA GLN 23 14.139 -7.948 -1.856 191 1HB GLN 23 HB2 GLN 23 12.176 -6.131 -0.423 192 2HB GLN 23 HB1 GLN 23 12.914 -7.569 0.284 193 1HG GLN 23 HG1 GLN 23 14.453 -5.189 -0.796 194 2HG GLN 23 HG2 GLN 23 14.119 -5.480 0.910 195 1HE2 GLN 23 HE21 GLN 23 16.403 -6.042 -1.532 196 2HE2 GLN 23 HE22 GLN 23 17.253 -7.311 -0.793 197 H ILE 24 HN ILE 24 10.912 -6.611 -2.555 198 HA ILE 24 HA ILE 24 9.373 -8.927 -2.012 199 HB ILE 24 HB ILE 24 9.028 -6.716 -4.063 200 1HG1 ILE 24 HG11 ILE 24 7.849 -6.986 -1.288 201 2HG1 ILE 24 HG12 ILE 24 9.317 -6.069 -1.630 202 1HG2 ILE 24 HG21 ILE 24 6.518 -7.481 -3.253 203 2HG2 ILE 24 HG22 ILE 24 7.363 -9.028 -3.306 204 3HG2 ILE 24 HG23 ILE 24 7.290 -8.014 -4.747 205 1HD1 ILE 24 HD11 ILE 24 6.487 -5.496 -2.441 206 2HD1 ILE 24 HD12 ILE 24 7.800 -4.942 -3.481 207 3HD1 ILE 24 HD13 ILE 24 7.711 -4.395 -1.807 208 H LYS 25 HN LYS 25 10.754 -7.846 -5.146 209 HA LYS 25 HA LYS 25 9.996 -10.184 -6.635 210 1HB LYS 25 HB2 LYS 25 12.242 -8.160 -6.880 211 2HB LYS 25 HB1 LYS 25 11.882 -9.362 -8.119 212 1HG LYS 25 HG1 LYS 25 9.585 -8.472 -8.312 213 2HG LYS 25 HG2 LYS 25 9.948 -7.272 -7.073 214 1HD LYS 25 HD2 LYS 25 11.729 -6.331 -8.503 215 2HD LYS 25 HD1 LYS 25 11.365 -7.533 -9.742 216 1HE LYS 25 HE1 LYS 25 9.017 -6.631 -9.847 217 2HE LYS 25 HE2 LYS 25 9.520 -5.338 -8.740 218 1HZ LYS 25 HZ1 LYS 25 11.125 -4.582 -10.261 219 2HZ LYS 25 HZ2 LYS 25 9.746 -4.864 -11.212 220 3HZ LYS 25 HZ3 LYS 25 11.024 -5.983 -11.212 221 H ASN 26 HN ASN 26 13.036 -9.315 -4.958 222 HA ASN 26 HA ASN 26 14.468 -11.736 -5.456 223 1HB ASN 26 HB2 ASN 26 15.162 -9.441 -4.435 224 2HB ASN 26 HB1 ASN 26 14.623 -10.125 -2.907 225 1HD2 ASN 26 HD21 ASN 26 15.619 -12.455 -2.482 226 2HD2 ASN 26 HD22 ASN 26 17.254 -12.641 -2.898 227 H GLY 27 HN GLY 27 12.669 -10.763 -2.526 228 1HA GLY 27 HA2 GLY 27 12.643 -13.615 -1.693 229 2HA GLY 27 HA1 GLY 27 12.437 -12.229 -0.622 230 H ALA 28 HN ALA 28 10.483 -10.783 -1.856 231 HA ALA 28 HA ALA 28 8.190 -10.713 -2.460 232 1HB ALA 28 HB1 ALA 28 8.097 -13.720 -2.299 233 2HB ALA 28 HB2 ALA 28 8.879 -12.927 -3.667 234 3HB ALA 28 HB3 ALA 28 7.170 -12.641 -3.342 235 H ASP 29 HN ASP 29 7.623 -9.786 -0.482 236 HA ASP 29 HA ASP 29 6.022 -11.364 1.334 237 1HB ASP 29 HB2 ASP 29 8.865 -11.372 1.630 238 2HB ASP 29 HB1 ASP 29 8.185 -10.476 2.992 239 H PHE 30 HN PHE 30 4.701 -9.473 0.781 240 HA PHE 30 HA PHE 30 5.456 -6.779 1.124 241 1HB PHE 30 HB1 PHE 30 3.425 -7.818 0.002 242 2HB PHE 30 HB2 PHE 30 2.716 -7.974 1.610 243 HD1 PHE 30 HD1 PHE 30 4.232 -5.472 -0.719 244 HD2 PHE 30 HD2 PHE 30 1.590 -6.143 2.605 245 HE1 PHE 30 HE1 PHE 30 3.513 -3.101 -0.812 246 HE2 PHE 30 HE2 PHE 30 0.874 -3.770 2.514 247 HZ PHE 30 HZ PHE 30 1.834 -2.248 0.805 248 H GLY 31 HN GLY 31 3.753 -8.908 3.457 249 1HA GLY 31 HA1 GLY 31 3.446 -6.964 5.487 250 2HA GLY 31 HA2 GLY 31 3.489 -8.702 5.779 251 H LYS 32 HN LYS 32 6.084 -9.355 5.070 252 HA LYS 32 HA LYS 32 7.526 -8.597 7.417 253 1HB LYS 32 HB2 LYS 32 8.301 -9.877 4.784 254 2HB LYS 32 HB1 LYS 32 9.407 -9.760 6.154 255 1HG LYS 32 HG1 LYS 32 6.679 -11.088 6.232 256 2HG LYS 32 HG2 LYS 32 8.216 -11.945 6.097 257 1HD LYS 32 HD2 LYS 32 8.901 -10.711 8.247 258 2HD LYS 32 HD1 LYS 32 7.195 -10.297 8.415 259 1HE LYS 32 HE1 LYS 32 7.940 -13.166 7.911 260 2HE LYS 32 HE2 LYS 32 8.107 -12.502 9.547 261 1HZ LYS 32 HZ1 LYS 32 5.898 -13.106 9.533 262 2HZ LYS 32 HZ2 LYS 32 5.695 -12.775 7.878 263 3HZ LYS 32 HZ3 LYS 32 5.778 -11.500 8.999 264 H LEU 33 HN LEU 33 7.776 -7.466 4.039 265 HA LEU 33 HA LEU 33 10.062 -5.767 4.453 266 1HB LEU 33 HB2 LEU 33 7.789 -5.831 2.452 267 2HB LEU 33 HB1 LEU 33 9.166 -4.734 2.307 268 HG LEU 33 HG LEU 33 9.393 -7.751 2.524 269 1HD1 LEU 33 HD11 LEU 33 8.468 -6.350 0.352 270 2HD1 LEU 33 HD12 LEU 33 9.301 -7.902 0.260 271 3HD1 LEU 33 HD13 LEU 33 10.202 -6.402 0.034 272 1HD2 LEU 33 HD21 LEU 33 11.387 -6.714 3.347 273 2HD2 LEU 33 HD22 LEU 33 11.370 -5.508 2.060 274 3HD2 LEU 33 HD23 LEU 33 11.740 -7.191 1.687 275 H ALA 34 HN ALA 34 6.543 -5.179 4.642 276 HA ALA 34 HA ALA 34 6.631 -2.361 5.017 277 1HB ALA 34 HB1 ALA 34 4.680 -4.029 4.637 278 2HB ALA 34 HB2 ALA 34 4.377 -2.658 5.705 279 3HB ALA 34 HB3 ALA 34 4.710 -4.250 6.387 280 H LYS 35 HN LYS 35 6.660 -5.009 7.438 281 HA LYS 35 HA LYS 35 6.786 -3.379 9.766 282 1HB LYS 35 HB1 LYS 35 6.326 -5.816 9.662 283 2HB LYS 35 HB2 LYS 35 8.003 -6.102 9.196 284 1HG LYS 35 HG1 LYS 35 8.765 -5.108 11.325 285 2HG LYS 35 HG2 LYS 35 7.088 -4.821 11.790 286 1HD LYS 35 HD1 LYS 35 6.643 -7.250 11.678 287 2HD LYS 35 HD2 LYS 35 8.322 -7.534 11.216 288 1HE LYS 35 HE1 LYS 35 8.854 -6.191 13.429 289 2HE LYS 35 HE2 LYS 35 7.209 -6.684 13.876 290 1HZ LYS 35 HZ1 LYS 35 7.764 -8.871 13.865 291 2HZ LYS 35 HZ2 LYS 35 9.314 -8.266 14.207 292 3HZ LYS 35 HZ3 LYS 35 8.901 -8.701 12.618 293 H LYS 36 HN LYS 36 9.447 -4.810 7.834 294 HA LYS 36 HA LYS 36 11.556 -3.778 9.493 295 1HB LYS 36 HB2 LYS 36 11.480 -4.633 6.582 296 2HB LYS 36 HB1 LYS 36 12.943 -4.473 7.553 297 1HG LYS 36 HG1 LYS 36 12.096 -6.186 9.115 298 2HG LYS 36 HG2 LYS 36 10.631 -6.347 8.144 299 1HD LYS 36 HD1 LYS 36 11.995 -7.038 6.204 300 2HD LYS 36 HD2 LYS 36 13.458 -6.878 7.174 301 1HE LYS 36 HE2 LYS 36 13.033 -8.811 8.369 302 2HE LYS 36 HE1 LYS 36 11.274 -8.608 8.266 303 1HZ LYS 36 HZ1 LYS 36 12.939 -9.098 5.865 304 2HZ LYS 36 HZ2 LYS 36 11.260 -9.286 6.038 305 3HZ LYS 36 HZ3 LYS 36 12.321 -10.383 6.784 306 H HIS 37 HN HIS 37 10.620 -2.771 6.185 307 HA HIS 37 HA HIS 37 12.370 -0.512 6.177 308 1HB HIS 37 HB1 HIS 37 9.967 -1.292 4.499 309 2HB HIS 37 HB2 HIS 37 11.110 -0.022 4.059 310 HD1 HIS 37 HD1 HIS 37 13.391 -0.739 3.149 311 HD2 HIS 37 HD2 HIS 37 11.093 -3.956 4.470 312 HE1 HIS 37 HE1 HIS 37 14.592 -2.837 2.391 313 H SER 38 HN SER 38 8.849 -0.763 6.725 314 HA SER 38 HA SER 38 8.217 1.990 6.632 315 1HB SER 38 HB1 SER 38 6.732 -0.088 6.722 316 2HB SER 38 HB2 SER 38 6.983 -0.077 8.468 317 HG SER 38 HG SER 38 5.968 2.085 6.942 318 H ILE 39 HN ILE 39 9.024 -0.004 9.495 319 HA ILE 39 HA ILE 39 9.451 0.684 11.726 320 HB ILE 39 HB ILE 39 11.488 2.013 11.776 321 1HG1 ILE 39 HG12 ILE 39 10.989 2.636 8.855 322 2HG1 ILE 39 HG11 ILE 39 10.600 3.755 10.163 323 1HG2 ILE 39 HG21 ILE 39 12.290 0.803 9.340 324 2HG2 ILE 39 HG22 ILE 39 11.041 -0.232 10.031 325 3HG2 ILE 39 HG23 ILE 39 12.479 0.160 10.972 326 1HD1 ILE 39 HD11 ILE 39 13.043 3.399 10.924 327 2HD1 ILE 39 HD12 ILE 39 12.778 4.392 9.489 328 3HD1 ILE 39 HD13 ILE 39 13.303 2.716 9.319 329 H CYS 40 HN CYS 40 7.165 2.067 10.453 330 HA CYS 40 HA CYS 40 7.273 4.618 12.026 331 1HB CYS 40 HB1 CYS 40 6.056 5.678 10.249 332 2HB CYS 40 HB2 CYS 40 7.340 4.755 9.464 333 HG CYS 40 HG CYS 40 5.071 4.209 8.252 334 HA PRO 41 HA PRO 41 3.721 3.498 14.280 335 1HB PRO 41 HB2 PRO 41 2.155 5.705 13.038 336 2HB PRO 41 HB1 PRO 41 2.477 5.378 14.750 337 1HG PRO 41 HG1 PRO 41 3.710 7.347 13.395 338 2HG PRO 41 HG2 PRO 41 4.490 6.462 14.711 339 1HD PRO 41 HD1 PRO 41 4.967 6.309 11.793 340 2HD PRO 41 HD2 PRO 41 6.071 5.973 13.144 341 H SER 42 HN SER 42 3.405 4.014 10.839 342 HA SER 42 HA SER 42 0.888 2.425 10.745 343 1HB SER 42 HB2 SER 42 1.310 3.198 8.213 344 2HB SER 42 HB1 SER 42 0.604 4.286 9.410 345 HG SER 42 HG SER 42 2.422 5.381 9.527 346 H GLY 43 HN GLY 43 3.964 1.557 10.991 347 1HA GLY 43 HA1 GLY 43 4.207 -0.231 8.678 348 2HA GLY 43 HA2 GLY 43 5.244 -0.239 10.105 349 H LYS 44 HN LYS 44 3.691 -0.722 12.185 350 HA LYS 44 HA LYS 44 2.929 -3.470 12.040 351 1HB LYS 44 HB2 LYS 44 3.565 -2.101 14.058 352 2HB LYS 44 HB1 LYS 44 1.991 -1.313 13.957 353 1HG LYS 44 HG1 LYS 44 0.877 -3.503 14.199 354 2HG LYS 44 HG2 LYS 44 2.451 -4.292 14.299 355 1HD LYS 44 HD1 LYS 44 2.977 -2.960 16.321 356 2HD LYS 44 HD2 LYS 44 1.391 -2.199 16.225 357 1HE LYS 44 HE2 LYS 44 0.600 -3.919 17.481 358 2HE LYS 44 HE1 LYS 44 0.885 -4.973 16.084 359 1HZ LYS 44 HZ1 LYS 44 3.376 -4.599 17.094 360 2HZ LYS 44 HZ2 LYS 44 2.401 -5.956 17.394 361 3HZ LYS 44 HZ3 LYS 44 2.433 -4.670 18.502 362 H ARG 45 HN ARG 45 1.004 -0.469 11.806 363 HA ARG 45 HA ARG 45 -1.466 -2.077 11.452 364 1HB ARG 45 HB2 ARG 45 -1.738 -0.352 13.012 365 2HB ARG 45 HB1 ARG 45 -0.727 0.768 12.099 366 1HG ARG 45 HG2 ARG 45 -3.019 1.491 11.865 367 2HG ARG 45 HG1 ARG 45 -2.523 0.800 10.322 368 1HD ARG 45 HD1 ARG 45 -4.637 -0.203 10.715 369 2HD ARG 45 HD2 ARG 45 -3.501 -1.433 11.301 370 HE ARG 45 HE ARG 45 -4.224 -0.952 13.507 371 1HH1 ARG 45 HH11 ARG 45 -5.040 1.583 11.304 372 2HH1 ARG 45 HH12 ARG 45 -5.977 2.462 12.464 373 1HH2 ARG 45 HH21 ARG 45 -5.444 0.190 15.024 374 2HH2 ARG 45 HH22 ARG 45 -6.206 1.675 14.566 375 H GLY 46 HN GLY 46 0.399 0.444 9.717 376 1HA GLY 46 HA2 GLY 46 -1.322 0.651 7.462 377 2HA GLY 46 HA1 GLY 46 0.396 1.035 7.440 378 H GLY 47 HN GLY 47 1.287 -1.628 8.211 379 1HA GLY 47 HA2 GLY 47 1.339 -2.870 5.606 380 2HA GLY 47 HA1 GLY 47 1.961 -3.582 7.087 381 H ASP 48 HN ASP 48 -1.104 -2.799 7.890 382 HA ASP 48 HA ASP 48 -2.662 -4.807 6.502 383 1HB ASP 48 HB2 ASP 48 -0.866 -5.893 8.191 384 2HB ASP 48 HB1 ASP 48 -2.157 -5.562 9.347 385 H LEU 49 HN LEU 49 -3.649 -2.491 6.671 386 HA LEU 49 HA LEU 49 -4.661 -1.535 9.181 387 1HB LEU 49 HB1 LEU 49 -5.331 -1.005 6.271 388 2HB LEU 49 HB2 LEU 49 -6.036 -0.084 7.600 389 HG LEU 49 HG LEU 49 -3.086 -0.377 7.678 390 1HD1 LEU 49 HD11 LEU 49 -4.475 0.576 5.297 391 2HD1 LEU 49 HD12 LEU 49 -2.752 0.290 5.544 392 3HD1 LEU 49 HD13 LEU 49 -3.466 1.834 6.010 393 1HD2 LEU 49 HD21 LEU 49 -4.955 1.999 7.937 394 2HD2 LEU 49 HD22 LEU 49 -3.252 1.956 8.397 395 3HD2 LEU 49 HD23 LEU 49 -4.429 0.984 9.280 396 H GLY 50 HN GLY 50 -5.999 -3.744 6.752 397 1HA GLY 50 HA2 GLY 50 -7.676 -5.381 7.572 398 2HA GLY 50 HA1 GLY 50 -8.371 -4.082 8.539 399 H GLU 51 HN GLU 51 -10.441 -4.384 7.519 400 HA GLU 51 HA GLU 51 -10.549 -3.658 4.616 401 1HB GLU 51 HB2 GLU 51 -11.393 -5.897 5.481 402 2HB GLU 51 HB1 GLU 51 -12.646 -5.003 6.343 403 1HG GLU 51 HG2 GLU 51 -13.429 -4.038 4.212 404 2HG GLU 51 HG1 GLU 51 -12.170 -4.921 3.348 405 H PHE 52 HN PHE 52 -11.685 -1.834 4.024 406 HA PHE 52 HA PHE 52 -13.534 -0.465 5.889 407 1HB PHE 52 HB1 PHE 52 -11.913 1.590 5.658 408 2HB PHE 52 HB2 PHE 52 -11.564 0.349 6.852 409 HD1 PHE 52 HD1 PHE 52 -9.257 0.104 7.014 410 HD2 PHE 52 HD2 PHE 52 -11.045 0.439 3.121 411 HE1 PHE 52 HE1 PHE 52 -7.058 -0.325 5.958 412 HE2 PHE 52 HE2 PHE 52 -8.851 0.007 2.070 413 HZ PHE 52 HZ PHE 52 -6.851 -0.372 3.491 414 H ARG 53 HN ARG 53 -14.324 1.633 4.842 415 HA ARG 53 HA ARG 53 -14.749 1.098 1.961 416 1HB ARG 53 HB2 ARG 53 -16.640 2.580 2.256 417 2HB ARG 53 HB1 ARG 53 -16.578 1.508 3.654 418 1HG ARG 53 HG1 ARG 53 -15.409 3.254 4.942 419 2HG ARG 53 HG2 ARG 53 -15.471 4.328 3.548 420 1HD ARG 53 HD2 ARG 53 -18.003 4.099 3.603 421 2HD ARG 53 HD1 ARG 53 -17.815 3.259 5.151 422 HE ARG 53 HE ARG 53 -17.145 5.317 6.142 423 1HH1 ARG 53 HH11 ARG 53 -17.182 5.483 2.688 424 2HH1 ARG 53 HH12 ARG 53 -16.967 7.198 2.644 425 1HH2 ARG 53 HH21 ARG 53 -16.862 7.552 6.087 426 2HH2 ARG 53 HH22 ARG 53 -16.785 8.368 4.561 427 H GLN 54 HN GLN 54 -15.162 3.466 0.809 428 HA GLN 54 HA GLN 54 -12.572 4.457 0.245 429 1HB GLN 54 HB2 GLN 54 -14.186 4.625 -1.427 430 2HB GLN 54 HB1 GLN 54 -15.431 5.178 -0.309 431 1HG GLN 54 HG2 GLN 54 -14.308 7.336 -0.106 432 2HG GLN 54 HG1 GLN 54 -13.037 6.804 -1.208 433 1HE2 GLN 54 HE21 GLN 54 -14.326 9.003 -2.132 434 2HE2 GLN 54 HE22 GLN 54 -15.458 8.620 -3.338 435 H GLY 55 HN GLY 55 -15.120 5.726 2.374 436 1HA GLY 55 HA2 GLY 55 -13.673 8.218 2.836 437 2HA GLY 55 HA1 GLY 55 -15.203 7.754 3.575 438 H GLN 56 HN GLN 56 -11.797 6.574 3.650 439 HA GLN 56 HA GLN 56 -12.003 6.592 6.648 440 1HB GLN 56 HB2 GLN 56 -10.448 4.502 5.146 441 2HB GLN 56 HB1 GLN 56 -11.122 4.416 6.769 442 1HG GLN 56 HG1 GLN 56 -13.079 4.663 4.526 443 2HG GLN 56 HG2 GLN 56 -12.234 3.136 4.704 444 1HE2 GLN 56 HE21 GLN 56 -14.709 5.162 6.024 445 2HE2 GLN 56 HE22 GLN 56 -15.134 4.141 7.321 446 H MET 57 HN MET 57 -9.831 6.036 3.936 447 HA MET 57 HA MET 57 -7.607 7.118 5.584 448 1HB MET 57 HB2 MET 57 -8.113 4.667 4.509 449 2HB MET 57 HB1 MET 57 -7.111 5.376 3.244 450 1HG MET 57 HG2 MET 57 -5.338 5.848 4.833 451 2HG MET 57 HG1 MET 57 -6.357 5.336 6.180 452 1HE MET 57 HE1 MET 57 -7.700 2.434 5.306 453 2HE MET 57 HE2 MET 57 -7.143 3.336 6.713 454 3HE MET 57 HE3 MET 57 -6.444 1.760 6.353 455 H VAL 58 HN VAL 58 -5.766 6.947 3.310 456 HA VAL 58 HA VAL 58 -5.941 9.646 2.327 457 HB VAL 58 HB VAL 58 -3.822 8.527 2.618 458 1HG1 VAL 58 HG21 VAL 58 -4.155 6.251 2.451 459 2HG1 VAL 58 HG22 VAL 58 -3.453 6.553 0.861 460 3HG1 VAL 58 HG23 VAL 58 -5.201 6.405 1.039 461 1HG2 VAL 58 HG11 VAL 58 -2.798 9.198 0.665 462 2HG2 VAL 58 HG12 VAL 58 -4.379 9.934 0.402 463 3HG2 VAL 58 HG13 VAL 58 -3.986 8.390 -0.357 464 HA PRO 59 HA PRO 59 -8.925 9.143 -0.877 465 1HB PRO 59 HB2 PRO 59 -7.753 11.113 -2.548 466 2HB PRO 59 HB1 PRO 59 -9.052 11.361 -1.370 467 1HG PRO 59 HG1 PRO 59 -6.166 11.933 -1.147 468 2HG PRO 59 HG2 PRO 59 -7.537 12.699 -0.335 469 1HD PRO 59 HD2 PRO 59 -5.820 11.005 0.920 470 2HD PRO 59 HD1 PRO 59 -7.525 11.181 1.388 471 H ALA 60 HN ALA 60 -5.614 9.784 -2.083 472 HA ALA 60 HA ALA 60 -5.568 8.641 -4.557 473 1HB ALA 60 HB1 ALA 60 -3.251 8.244 -4.151 474 2HB ALA 60 HB2 ALA 60 -3.532 7.918 -2.441 475 3HB ALA 60 HB3 ALA 60 -3.688 9.561 -3.064 476 H PHE 61 HN PHE 61 -5.956 6.859 -1.527 477 HA PHE 61 HA PHE 61 -5.462 4.214 -2.482 478 1HB PHE 61 HB2 PHE 61 -5.696 4.661 -0.134 479 2HB PHE 61 HB1 PHE 61 -7.293 5.374 -0.369 480 HD1 PHE 61 HD1 PHE 61 -9.100 4.039 0.224 481 HD2 PHE 61 HD2 PHE 61 -5.529 2.177 -1.279 482 HE1 PHE 61 HE1 PHE 61 -10.156 1.807 0.480 483 HE2 PHE 61 HE2 PHE 61 -6.582 -0.054 -1.019 484 HZ PHE 61 HZ PHE 61 -8.897 -0.239 -0.141 485 H ASP 62 HN ASP 62 -8.467 6.154 -2.441 486 HA ASP 62 HA ASP 62 -10.211 4.168 -3.501 487 1HB ASP 62 HB1 ASP 62 -10.893 6.317 -2.488 488 2HB ASP 62 HB2 ASP 62 -10.180 7.184 -3.848 489 H LYS 63 HN LYS 63 -8.105 6.535 -5.100 490 HA LYS 63 HA LYS 63 -8.842 6.063 -7.807 491 1HB LYS 63 HB1 LYS 63 -7.420 7.892 -7.083 492 2HB LYS 63 HB2 LYS 63 -6.214 6.763 -6.466 493 1HG LYS 63 HG1 LYS 63 -5.505 7.613 -8.650 494 2HG LYS 63 HG2 LYS 63 -5.886 5.897 -8.777 495 1HD LYS 63 HD2 LYS 63 -8.083 6.413 -9.703 496 2HD LYS 63 HD1 LYS 63 -7.805 8.140 -9.475 497 1HE LYS 63 HE1 LYS 63 -7.014 8.098 -11.620 498 2HE LYS 63 HE2 LYS 63 -5.572 7.335 -10.925 499 1HZ LYS 63 HZ1 LYS 63 -6.234 5.707 -12.377 500 2HZ LYS 63 HZ2 LYS 63 -7.883 6.099 -12.255 501 3HZ LYS 63 HZ3 LYS 63 -7.118 5.233 -11.009 502 H VAL 64 HN VAL 64 -6.255 4.504 -5.870 503 HA VAL 64 HA VAL 64 -5.401 2.840 -8.047 504 HB VAL 64 HB VAL 64 -3.828 1.994 -6.528 505 1HG1 VAL 64 HG21 VAL 64 -2.944 3.893 -5.655 506 2HG1 VAL 64 HG22 VAL 64 -4.409 4.287 -4.757 507 3HG1 VAL 64 HG23 VAL 64 -4.298 4.670 -6.475 508 1HG2 VAL 64 HG11 VAL 64 -5.431 0.896 -5.013 509 2HG2 VAL 64 HG12 VAL 64 -5.814 2.450 -4.276 510 3HG2 VAL 64 HG13 VAL 64 -4.199 1.769 -4.105 511 H VAL 65 HN VAL 65 -7.399 1.975 -5.172 512 HA VAL 65 HA VAL 65 -7.995 -0.706 -6.017 513 HB VAL 65 HB VAL 65 -8.485 0.300 -3.780 514 1HG1 VAL 65 HG21 VAL 65 -9.264 2.493 -4.543 515 2HG1 VAL 65 HG22 VAL 65 -10.512 1.712 -3.570 516 3HG1 VAL 65 HG23 VAL 65 -10.657 1.745 -5.328 517 1HG2 VAL 65 HG11 VAL 65 -9.905 -1.439 -3.633 518 2HG2 VAL 65 HG12 VAL 65 -10.176 -1.390 -5.376 519 3HG2 VAL 65 HG13 VAL 65 -11.184 -0.423 -4.299 520 H PHE 66 HN PHE 66 -9.034 2.431 -7.129 521 HA PHE 66 HA PHE 66 -11.156 1.246 -8.866 522 1HB PHE 66 HB1 PHE 66 -11.334 3.403 -7.442 523 2HB PHE 66 HB2 PHE 66 -10.274 4.131 -8.648 524 HD1 PHE 66 HD1 PHE 66 -10.992 4.135 -11.084 525 HD2 PHE 66 HD2 PHE 66 -13.645 3.070 -7.873 526 HE1 PHE 66 HE1 PHE 66 -12.944 4.505 -12.573 527 HE2 PHE 66 HE2 PHE 66 -15.596 3.438 -9.362 528 HZ PHE 66 HZ PHE 66 -15.246 4.156 -11.712 529 H SER 67 HN SER 67 -7.872 1.683 -8.938 530 HA SER 67 HA SER 67 -7.675 2.488 -11.777 531 1HB SER 67 HB1 SER 67 -6.245 3.506 -10.014 532 2HB SER 67 HB2 SER 67 -5.582 1.910 -9.664 533 HG SER 67 HG SER 67 -4.299 2.158 -11.282 534 H CYS 68 HN CYS 68 -6.585 -0.138 -9.606 535 HA CYS 68 HA CYS 68 -6.374 -1.927 -12.009 536 1HB CYS 68 HB2 CYS 68 -4.872 -1.799 -9.376 537 2HB CYS 68 HB1 CYS 68 -4.701 -3.130 -10.522 538 HG CYS 68 HG CYS 68 -2.879 -1.212 -10.970 539 HA PRO 69 HA PRO 69 -9.586 -4.414 -10.322 540 1HB PRO 69 HB1 PRO 69 -7.961 -6.745 -11.194 541 2HB PRO 69 HB2 PRO 69 -9.613 -6.290 -11.652 542 1HG PRO 69 HG2 PRO 69 -7.537 -6.002 -13.325 543 2HG PRO 69 HG1 PRO 69 -8.903 -4.878 -13.311 544 1HD PRO 69 HD2 PRO 69 -6.145 -4.520 -12.251 545 2HD PRO 69 HD1 PRO 69 -7.250 -3.326 -12.967 546 H VAL 70 HN VAL 70 -9.946 -5.597 -8.404 547 HA VAL 70 HA VAL 70 -7.978 -5.539 -6.340 548 HB VAL 70 HB VAL 70 -10.374 -5.564 -5.941 549 1HG1 VAL 70 HG11 VAL 70 -10.206 -7.928 -7.715 550 2HG1 VAL 70 HG12 VAL 70 -11.510 -6.757 -7.520 551 3HG1 VAL 70 HG13 VAL 70 -11.333 -8.080 -6.368 552 1HG2 VAL 70 HG21 VAL 70 -8.903 -6.640 -4.233 553 2HG2 VAL 70 HG22 VAL 70 -9.204 -8.197 -5.000 554 3HG2 VAL 70 HG23 VAL 70 -10.532 -7.313 -4.251 555 H LEU 71 HN LEU 71 -7.357 -7.685 -5.149 556 HA LEU 71 HA LEU 71 -6.065 -9.654 -5.189 557 1HB LEU 71 HB2 LEU 71 -7.892 -9.977 -7.579 558 2HB LEU 71 HB1 LEU 71 -6.699 -11.206 -7.166 559 HG LEU 71 HG LEU 71 -7.863 -10.725 -4.728 560 1HD1 LEU 71 HD21 LEU 71 -10.340 -11.074 -6.200 561 2HD1 LEU 71 HD22 LEU 71 -9.585 -9.533 -6.607 562 3HD1 LEU 71 HD23 LEU 71 -9.959 -9.914 -4.927 563 1HD2 LEU 71 HD11 LEU 71 -7.403 -12.928 -5.709 564 2HD2 LEU 71 HD12 LEU 71 -8.719 -12.707 -6.861 565 3HD2 LEU 71 HD13 LEU 71 -9.071 -12.859 -5.141 566 H GLU 72 HN GLU 72 -5.416 -7.076 -6.778 567 HA GLU 72 HA GLU 72 -3.096 -8.248 -8.251 568 1HB GLU 72 HB1 GLU 72 -5.096 -7.646 -9.725 569 2HB GLU 72 HB2 GLU 72 -4.816 -5.968 -9.266 570 1HG GLU 72 HG2 GLU 72 -3.375 -5.894 -11.011 571 2HG GLU 72 HG1 GLU 72 -2.289 -6.848 -9.999 572 HA PRO 73 HA PRO 73 -1.845 -5.249 -4.981 573 1HB PRO 73 HB2 PRO 73 0.765 -6.356 -5.933 574 2HB PRO 73 HB1 PRO 73 0.188 -6.100 -4.275 575 1HG PRO 73 HG1 PRO 73 0.255 -8.532 -5.428 576 2HG PRO 73 HG2 PRO 73 -0.968 -8.073 -4.235 577 1HD PRO 73 HD1 PRO 73 -1.246 -8.499 -7.139 578 2HD PRO 73 HD2 PRO 73 -2.476 -8.565 -5.861 579 H THR 74 HN THR 74 -1.901 -3.169 -5.750 580 HA THR 74 HA THR 74 -0.465 -2.548 -8.298 581 HB THR 74 HB THR 74 -2.750 -1.240 -6.792 582 HG1 THR 74 HG1 THR 74 -2.739 -3.279 -8.338 583 1HG2 THR 74 HG21 THR 74 -2.938 0.249 -8.748 584 2HG2 THR 74 HG22 THR 74 -1.488 -0.479 -9.440 585 3HG2 THR 74 HG23 THR 74 -1.381 0.450 -7.944 586 H GLY 75 HN GLY 75 1.414 -1.400 -8.092 587 1HA GLY 75 HA1 GLY 75 1.923 0.992 -6.986 588 2HA GLY 75 HA2 GLY 75 1.998 -0.021 -5.544 589 HA PRO 76 HA PRO 76 3.506 1.296 -4.841 590 1HB PRO 76 HB1 PRO 76 5.600 3.058 -4.992 591 2HB PRO 76 HB2 PRO 76 5.666 1.541 -4.075 592 1HG PRO 76 HG2 PRO 76 6.778 2.191 -6.756 593 2HG PRO 76 HG1 PRO 76 7.449 1.179 -5.467 594 1HD PRO 76 HD1 PRO 76 6.205 0.195 -7.706 595 2HD PRO 76 HD2 PRO 76 6.303 -0.673 -6.160 596 H LEU 77 HN LEU 77 3.076 3.739 -4.889 597 HA LEU 77 HA LEU 77 2.650 4.742 -7.680 598 1HB LEU 77 HB2 LEU 77 0.736 3.918 -5.580 599 2HB LEU 77 HB1 LEU 77 0.365 5.461 -6.350 600 HG LEU 77 HG LEU 77 1.040 2.985 -7.951 601 1HD1 LEU 77 HD11 LEU 77 -1.711 3.993 -7.162 602 2HD1 LEU 77 HD12 LEU 77 -0.942 2.544 -6.513 603 3HD1 LEU 77 HD13 LEU 77 -1.370 2.626 -8.222 604 1HD2 LEU 77 HD21 LEU 77 -0.588 4.462 -9.491 605 2HD2 LEU 77 HD22 LEU 77 1.152 4.741 -9.439 606 3HD2 LEU 77 HD23 LEU 77 0.068 5.754 -8.486 607 H HIS 78 HN HIS 78 2.209 7.097 -7.725 608 HA HIS 78 HA HIS 78 3.822 8.526 -5.721 609 1HB HIS 78 HB1 HIS 78 3.514 8.763 -8.374 610 2HB HIS 78 HB2 HIS 78 2.253 9.889 -7.870 611 HD1 HIS 78 HD1 HIS 78 5.716 9.863 -8.668 612 HD2 HIS 78 HD2 HIS 78 3.461 11.757 -5.718 613 HE1 HIS 78 HE1 HIS 78 7.122 11.789 -7.818 614 H THR 79 HN THR 79 2.928 9.448 -3.920 615 HA THR 79 HA THR 79 0.156 10.543 -4.115 616 HB THR 79 HB THR 79 0.082 8.295 -3.043 617 HG1 THR 79 HG1 THR 79 -1.022 10.405 -2.241 618 1HG2 THR 79 HG21 THR 79 2.304 9.506 -1.482 619 2HG2 THR 79 HG22 THR 79 2.044 7.825 -1.953 620 3HG2 THR 79 HG23 THR 79 1.167 8.504 -0.582 621 H GLN 80 HN GLN 80 -0.217 12.263 -2.522 622 HA GLN 80 HA GLN 80 1.962 14.061 -2.171 623 1HB GLN 80 HB1 GLN 80 -0.703 13.775 -0.745 624 2HB GLN 80 HB2 GLN 80 0.316 15.214 -0.674 625 1HG GLN 80 HG2 GLN 80 -0.848 14.002 -3.204 626 2HG GLN 80 HG1 GLN 80 -1.445 15.452 -2.397 627 1HE2 GLN 80 HE21 GLN 80 0.013 14.931 -5.123 628 2HE2 GLN 80 HE22 GLN 80 1.244 16.100 -5.128 629 H PHE 81 HN PHE 81 0.872 11.362 -0.235 630 HA PHE 81 HA PHE 81 2.169 12.208 2.237 631 1HB PHE 81 HB2 PHE 81 1.011 9.607 1.193 632 2HB PHE 81 HB1 PHE 81 1.601 9.810 2.841 633 HD1 PHE 81 HD1 PHE 81 0.437 11.254 4.438 634 HD2 PHE 81 HD2 PHE 81 -1.011 10.747 0.421 635 HE1 PHE 81 HE1 PHE 81 -1.735 12.262 5.093 636 HE2 PHE 81 HE2 PHE 81 -3.182 11.756 1.077 637 HZ PHE 81 HZ PHE 81 -3.544 12.514 3.412 638 H GLY 82 HN GLY 82 3.328 10.881 -0.685 639 1HA GLY 82 HA2 GLY 82 5.926 10.721 -0.617 640 2HA GLY 82 HA1 GLY 82 5.630 9.571 0.687 641 H TYR 83 HN TYR 83 6.220 7.634 -0.261 642 HA TYR 83 HA TYR 83 5.099 6.934 -2.934 643 1HB TYR 83 HB1 TYR 83 7.460 6.329 -1.402 644 2HB TYR 83 HB2 TYR 83 6.614 4.824 -1.769 645 HD1 TYR 83 HD1 TYR 83 7.285 3.782 -3.733 646 HD2 TYR 83 HD2 TYR 83 7.307 8.077 -3.535 647 HE1 TYR 83 HE1 TYR 83 8.100 3.886 -6.075 648 HE2 TYR 83 HE2 TYR 83 8.123 8.181 -5.878 649 HH TYR 83 HH TYR 83 9.573 6.028 -7.416 650 H HIS 84 HN HIS 84 3.437 5.453 -3.116 651 HA HIS 84 HA HIS 84 2.468 4.145 -0.595 652 1HB HIS 84 HB2 HIS 84 1.175 5.903 -2.617 653 2HB HIS 84 HB1 HIS 84 0.211 4.541 -2.051 654 HD1 HIS 84 HD1 HIS 84 -1.017 6.965 -1.092 655 HD2 HIS 84 HD2 HIS 84 2.309 5.424 0.896 656 HE1 HIS 84 HE1 HIS 84 -1.050 7.963 1.235 657 H ILE 85 HN ILE 85 2.713 1.964 -0.860 658 HA ILE 85 HA ILE 85 1.957 0.797 -3.527 659 HB ILE 85 HB ILE 85 4.322 0.482 -2.551 660 1HG1 ILE 85 HG12 ILE 85 3.118 -2.218 -2.834 661 2HG1 ILE 85 HG11 ILE 85 2.817 -1.093 -4.157 662 1HG2 ILE 85 HG21 ILE 85 3.544 0.122 -0.216 663 2HG2 ILE 85 HG22 ILE 85 4.536 -1.215 -0.800 664 3HG2 ILE 85 HG23 ILE 85 2.782 -1.385 -0.723 665 1HD1 ILE 85 HD11 ILE 85 4.965 -2.558 -4.258 666 2HD1 ILE 85 HD12 ILE 85 5.595 -1.447 -3.040 667 3HD1 ILE 85 HD13 ILE 85 5.113 -0.840 -4.624 668 H ILE 86 HN ILE 86 0.092 -0.417 -3.509 669 HA ILE 86 HA ILE 86 -1.093 -1.081 -0.827 670 HB ILE 86 HB ILE 86 -2.350 0.173 -3.291 671 1HG1 ILE 86 HG11 ILE 86 -1.775 1.418 -0.591 672 2HG1 ILE 86 HG12 ILE 86 -0.709 1.594 -1.983 673 1HG2 ILE 86 HG21 ILE 86 -4.213 0.619 -1.584 674 2HG2 ILE 86 HG22 ILE 86 -3.415 -0.575 -0.561 675 3HG2 ILE 86 HG23 ILE 86 -4.045 -1.044 -2.140 676 1HD1 ILE 86 HD11 ILE 86 -2.640 3.370 -1.477 677 2HD1 ILE 86 HD12 ILE 86 -3.608 2.199 -2.373 678 3HD1 ILE 86 HD13 ILE 86 -2.197 2.937 -3.129 679 H LYS 87 HN LYS 87 -1.964 -3.133 -0.705 680 HA LYS 87 HA LYS 87 -2.388 -4.675 -3.239 681 1HB LYS 87 HB2 LYS 87 -2.365 -5.551 -0.330 682 2HB LYS 87 HB1 LYS 87 -2.429 -6.617 -1.733 683 1HG LYS 87 HG2 LYS 87 -0.244 -5.049 -2.298 684 2HG LYS 87 HG1 LYS 87 -0.134 -5.216 -0.549 685 1HD LYS 87 HD2 LYS 87 -0.215 -7.637 -0.717 686 2HD LYS 87 HD1 LYS 87 -0.512 -7.545 -2.453 687 1HE LYS 87 HE1 LYS 87 1.745 -6.209 -2.515 688 2HE LYS 87 HE2 LYS 87 2.029 -6.968 -0.939 689 1HZ LYS 87 HZ1 LYS 87 2.425 -8.153 -3.368 690 2HZ LYS 87 HZ2 LYS 87 0.928 -8.785 -2.873 691 3HZ LYS 87 HZ3 LYS 87 2.298 -8.963 -1.884 692 H VAL 88 HN VAL 88 -4.487 -5.320 -3.793 693 HA VAL 88 HA VAL 88 -6.697 -4.293 -2.046 694 HB VAL 88 HB VAL 88 -6.656 -4.997 -4.999 695 1HG1 VAL 88 HG11 VAL 88 -8.896 -4.845 -4.754 696 2HG1 VAL 88 HG12 VAL 88 -8.651 -3.123 -4.460 697 3HG1 VAL 88 HG13 VAL 88 -8.740 -4.246 -3.102 698 1HG2 VAL 88 HG21 VAL 88 -6.275 -2.725 -5.486 699 2HG2 VAL 88 HG22 VAL 88 -5.168 -3.041 -4.152 700 3HG2 VAL 88 HG23 VAL 88 -6.694 -2.210 -3.852 701 H LEU 89 HN LEU 89 -8.029 -5.831 -1.123 702 HA LEU 89 HA LEU 89 -8.154 -8.545 -2.328 703 1HB LEU 89 HB2 LEU 89 -7.640 -7.799 0.572 704 2HB LEU 89 HB1 LEU 89 -7.831 -9.444 -0.034 705 HG LEU 89 HG LEU 89 -5.699 -7.499 -0.966 706 1HD1 LEU 89 HD11 LEU 89 -4.571 -8.080 0.896 707 2HD1 LEU 89 HD12 LEU 89 -4.573 -9.748 0.324 708 3HD1 LEU 89 HD13 LEU 89 -5.863 -9.178 1.381 709 1HD2 LEU 89 HD21 LEU 89 -6.743 -9.840 -2.138 710 2HD2 LEU 89 HD22 LEU 89 -5.211 -10.321 -1.408 711 3HD2 LEU 89 HD23 LEU 89 -5.254 -9.006 -2.583 712 H TYR 90 HN TYR 90 -9.760 -9.656 -0.423 713 HA TYR 90 HA TYR 90 -12.111 -9.952 -0.169 714 1HB TYR 90 HB2 TYR 90 -11.247 -7.417 1.220 715 2HB TYR 90 HB1 TYR 90 -12.885 -8.051 1.407 716 HD1 TYR 90 HD1 TYR 90 -13.333 -9.834 2.887 717 HD2 TYR 90 HD2 TYR 90 -9.279 -8.991 1.733 718 HE1 TYR 90 HE1 TYR 90 -12.517 -11.480 4.555 719 HE2 TYR 90 HE2 TYR 90 -8.462 -10.637 3.402 720 HH TYR 90 HH TYR 90 -9.312 -11.652 5.551 721 H ARG 91 HN ARG 91 -12.372 -6.413 -0.262 722 HA ARG 91 HA ARG 91 -13.637 -5.013 -1.693 723 1HB ARG 91 HB1 ARG 91 -12.001 -6.080 -3.294 724 2HB ARG 91 HB2 ARG 91 -13.239 -7.276 -3.668 725 1HG ARG 91 HG1 ARG 91 -14.786 -5.352 -4.236 726 2HG ARG 91 HG2 ARG 91 -13.391 -4.282 -4.098 727 1HD ARG 91 HD1 ARG 91 -13.671 -4.912 -6.449 728 2HD ARG 91 HD2 ARG 91 -12.222 -5.717 -5.824 729 HE ARG 91 HE ARG 91 -14.249 -7.512 -5.259 730 1HH1 ARG 91 HH11 ARG 91 -13.174 -5.822 -8.076 731 2HH1 ARG 91 HH12 ARG 91 -13.688 -7.062 -9.170 732 1HH2 ARG 91 HH21 ARG 91 -14.921 -9.131 -6.677 733 2HH2 ARG 91 HH22 ARG 91 -14.675 -8.932 -8.381 734 H ASN 92 HN ASN 92 -15.181 -6.484 0.040 735 HA ASN 92 HA ASN 92 -17.418 -7.192 0.341 736 1HB ASN 92 HB1 ASN 92 -17.635 -5.075 -0.982 737 2HB ASN 92 HB2 ASN 92 -17.630 -6.039 -2.459 738 1HD2 ASN 92 HD21 ASN 92 -19.557 -5.098 0.335 739 2HD2 ASN 92 HD22 ASN 92 -20.995 -5.844 -0.170 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 -20.557 -2.980 -4.981 2 2H ALA 1 HT2 ALA 1 -20.989 -4.098 -3.776 3 3H ALA 1 HT3 ALA 1 -20.445 -4.645 -5.290 4 HA ALA 1 HA ALA 1 -18.633 -4.906 -3.782 5 1HB ALA 1 HB1 ALA 1 -18.386 -2.408 -5.491 6 2HB ALA 1 HB2 ALA 1 -18.238 -4.063 -6.082 7 3HB ALA 1 HB3 ALA 1 -17.046 -3.420 -4.951 8 H LYS 2 HN LYS 2 -18.743 -4.467 -1.577 9 HA LYS 2 HA LYS 2 -18.485 -1.587 -0.778 10 1HB LYS 2 HB2 LYS 2 -20.089 -3.883 0.327 11 2HB LYS 2 HB1 LYS 2 -19.627 -2.541 1.374 12 1HG LYS 2 HG1 LYS 2 -20.909 -2.027 -1.300 13 2HG LYS 2 HG2 LYS 2 -21.901 -2.395 0.111 14 1HD LYS 2 HD2 LYS 2 -20.663 -0.536 1.323 15 2HD LYS 2 HD1 LYS 2 -19.955 -0.097 -0.232 16 1HE LYS 2 HE1 LYS 2 -22.951 -0.297 0.234 17 2HE LYS 2 HE2 LYS 2 -22.037 1.221 0.339 18 1HZ LYS 2 HZ1 LYS 2 -21.245 0.900 -1.893 19 2HZ LYS 2 HZ2 LYS 2 -22.940 0.781 -1.913 20 3HZ LYS 2 HZ3 LYS 2 -21.985 -0.623 -1.997 21 H THR 3 HN THR 3 -16.940 -1.145 0.795 22 HA THR 3 HA THR 3 -15.053 -1.488 2.172 23 HB THR 3 HB THR 3 -15.751 -4.263 2.795 24 HG1 THR 3 HG1 THR 3 -17.823 -4.062 2.800 25 1HG2 THR 3 HG21 THR 3 -14.662 -2.120 4.091 26 2HG2 THR 3 HG22 THR 3 -15.332 -3.533 4.907 27 3HG2 THR 3 HG23 THR 3 -16.315 -2.083 4.704 28 H ALA 4 HN ALA 4 -13.023 -1.858 1.447 29 HA ALA 4 HA ALA 4 -12.451 -4.400 -0.038 30 1HB ALA 4 HB1 ALA 4 -12.259 -1.791 -0.944 31 2HB ALA 4 HB2 ALA 4 -11.375 -3.159 -1.621 32 3HB ALA 4 HB3 ALA 4 -10.614 -2.130 -0.407 33 H ALA 5 HN ALA 5 -10.535 -5.501 0.653 34 HA ALA 5 HA ALA 5 -9.514 -4.667 3.313 35 1HB ALA 5 HB1 ALA 5 -10.226 -6.974 2.979 36 2HB ALA 5 HB2 ALA 5 -8.473 -6.962 3.174 37 3HB ALA 5 HB3 ALA 5 -9.181 -7.131 1.569 38 H ALA 6 HN ALA 6 -7.603 -3.564 3.463 39 HA ALA 6 HA ALA 6 -5.749 -3.661 1.100 40 1HB ALA 6 HB1 ALA 6 -7.134 -1.727 0.899 41 2HB ALA 6 HB2 ALA 6 -5.597 -1.146 1.540 42 3HB ALA 6 HB3 ALA 6 -6.976 -1.355 2.615 43 H LEU 7 HN LEU 7 -3.619 -3.759 1.584 44 HA LEU 7 HA LEU 7 -2.730 -3.120 4.384 45 1HB LEU 7 HB1 LEU 7 -1.431 -4.830 2.236 46 2HB LEU 7 HB2 LEU 7 -0.823 -4.599 3.873 47 HG LEU 7 HG LEU 7 -3.466 -5.878 3.104 48 1HD1 LEU 7 HD11 LEU 7 -2.097 -7.675 2.852 49 2HD1 LEU 7 HD12 LEU 7 -2.051 -7.679 4.615 50 3HD1 LEU 7 HD13 LEU 7 -0.763 -6.895 3.702 51 1HD2 LEU 7 HD21 LEU 7 -2.212 -5.353 5.814 52 2HD2 LEU 7 HD22 LEU 7 -3.653 -6.334 5.545 53 3HD2 LEU 7 HD23 LEU 7 -3.681 -4.608 5.182 54 H HIS 8 HN HIS 8 -1.056 -1.513 4.524 55 HA HIS 8 HA HIS 8 -0.263 -0.297 1.893 56 1HB HIS 8 HB1 HIS 8 -1.205 1.061 4.442 57 2HB HIS 8 HB2 HIS 8 -0.537 1.913 3.051 58 HD1 HIS 8 HD1 HIS 8 -3.561 2.131 4.091 59 HD2 HIS 8 HD2 HIS 8 -2.220 -0.110 0.847 60 HE1 HIS 8 HE1 HIS 8 -5.562 1.809 2.570 61 H ILE 9 HN ILE 9 1.876 0.011 1.676 62 HA ILE 9 HA ILE 9 3.559 0.240 4.151 63 HB ILE 9 HB ILE 9 4.310 -0.556 1.320 64 1HG1 ILE 9 HG11 ILE 9 4.063 -2.216 3.846 65 2HG1 ILE 9 HG12 ILE 9 2.976 -2.283 2.458 66 1HG2 ILE 9 HG21 ILE 9 6.499 -1.069 2.266 67 2HG2 ILE 9 HG22 ILE 9 5.942 -0.599 3.872 68 3HG2 ILE 9 HG23 ILE 9 6.097 0.616 2.601 69 1HD1 ILE 9 HD11 ILE 9 4.490 -4.078 2.103 70 2HD1 ILE 9 HD12 ILE 9 5.879 -3.109 2.591 71 3HD1 ILE 9 HD13 ILE 9 5.079 -2.789 1.052 72 H LEU 10 HN LEU 10 4.417 2.286 4.435 73 HA LEU 10 HA LEU 10 4.246 4.191 2.132 74 1HB LEU 10 HB2 LEU 10 2.953 4.835 4.078 75 2HB LEU 10 HB1 LEU 10 4.327 4.547 5.144 76 HG LEU 10 HG LEU 10 3.806 6.999 4.452 77 1HD1 LEU 10 HD11 LEU 10 6.615 6.608 3.758 78 2HD1 LEU 10 HD12 LEU 10 6.135 5.647 5.157 79 3HD1 LEU 10 HD13 LEU 10 5.909 7.396 5.169 80 1HD2 LEU 10 HD21 LEU 10 3.531 6.695 2.070 81 2HD2 LEU 10 HD22 LEU 10 5.113 5.934 1.935 82 3HD2 LEU 10 HD23 LEU 10 4.989 7.648 2.331 83 H VAL 11 HN VAL 11 6.166 4.571 1.158 84 HA VAL 11 HA VAL 11 8.700 4.047 2.639 85 HB VAL 11 HB VAL 11 8.420 4.725 -0.293 86 1HG1 VAL 11 HG21 VAL 11 10.328 3.023 -0.343 87 2HG1 VAL 11 HG22 VAL 11 10.333 3.130 1.418 88 3HG1 VAL 11 HG23 VAL 11 10.678 4.561 0.446 89 1HG2 VAL 11 HG11 VAL 11 7.946 2.023 1.017 90 2HG2 VAL 11 HG12 VAL 11 8.116 2.288 -0.719 91 3HG2 VAL 11 HG13 VAL 11 6.745 2.980 0.149 92 H LYS 12 HN LYS 12 10.008 5.722 3.252 93 HA LYS 12 HA LYS 12 9.123 8.437 3.175 94 1HB LYS 12 HB1 LYS 12 10.635 7.451 4.852 95 2HB LYS 12 HB2 LYS 12 11.869 7.220 3.613 96 1HG LYS 12 HG2 LYS 12 11.947 9.657 3.235 97 2HG LYS 12 HG1 LYS 12 10.713 9.890 4.473 98 1HD LYS 12 HD2 LYS 12 12.198 8.933 6.171 99 2HD LYS 12 HD1 LYS 12 13.420 8.604 4.943 100 1HE LYS 12 HE1 LYS 12 14.079 10.666 5.999 101 2HE LYS 12 HE2 LYS 12 13.364 11.135 4.445 102 1HZ LYS 12 HZ1 LYS 12 12.295 12.453 6.072 103 2HZ LYS 12 HZ2 LYS 12 12.082 11.136 7.123 104 3HZ LYS 12 HZ3 LYS 12 11.184 11.233 5.685 105 H GLU 13 HN GLU 13 11.497 6.681 1.162 106 HA GLU 13 HA GLU 13 11.468 9.008 -0.727 107 1HB GLU 13 HB1 GLU 13 13.961 8.544 -0.933 108 2HB GLU 13 HB2 GLU 13 13.448 9.182 0.629 109 1HG GLU 13 HG1 GLU 13 13.389 6.890 1.545 110 2HG GLU 13 HG2 GLU 13 13.902 6.252 -0.017 111 H GLU 14 HN GLU 14 11.920 8.441 -2.936 112 HA GLU 14 HA GLU 14 10.747 6.038 -3.871 113 1HB GLU 14 HB2 GLU 14 11.046 8.175 -5.113 114 2HB GLU 14 HB1 GLU 14 12.779 7.856 -5.205 115 1HG GLU 14 HG1 GLU 14 12.333 5.768 -6.442 116 2HG GLU 14 HG2 GLU 14 10.598 6.082 -6.348 117 H LYS 15 HN LYS 15 14.181 6.861 -3.360 118 HA LYS 15 HA LYS 15 15.438 4.704 -4.610 119 1HB LYS 15 HB1 LYS 15 16.539 6.632 -3.527 120 2HB LYS 15 HB2 LYS 15 16.066 6.018 -1.944 121 1HG LYS 15 HG2 LYS 15 18.400 5.411 -2.456 122 2HG LYS 15 HG1 LYS 15 17.389 3.971 -2.345 123 1HD LYS 15 HD2 LYS 15 17.268 3.774 -4.738 124 2HD LYS 15 HD1 LYS 15 18.002 5.361 -4.965 125 1HE LYS 15 HE1 LYS 15 20.135 4.585 -4.508 126 2HE LYS 15 HE2 LYS 15 19.551 3.340 -3.388 127 1HZ LYS 15 HZ1 LYS 15 20.295 2.788 -5.875 128 2HZ LYS 15 HZ2 LYS 15 18.660 3.148 -6.160 129 3HZ LYS 15 HZ3 LYS 15 19.084 1.915 -5.072 130 H LEU 16 HN LEU 16 14.111 4.794 -1.285 131 HA LEU 16 HA LEU 16 14.677 2.006 -0.706 132 1HB LEU 16 HB2 LEU 16 14.182 3.951 0.892 133 2HB LEU 16 HB1 LEU 16 12.486 3.757 0.441 134 HG LEU 16 HG LEU 16 14.084 1.373 1.348 135 1HD1 LEU 16 HD11 LEU 16 14.482 2.794 3.187 136 2HD1 LEU 16 HD12 LEU 16 13.022 1.922 3.654 137 3HD1 LEU 16 HD13 LEU 16 12.906 3.572 3.041 138 1HD2 LEU 16 HD21 LEU 16 11.307 1.689 2.206 139 2HD2 LEU 16 HD22 LEU 16 12.064 0.356 1.334 140 3HD2 LEU 16 HD23 LEU 16 11.478 1.765 0.453 141 H ALA 17 HN ALA 17 11.882 3.785 -2.010 142 HA ALA 17 HA ALA 17 10.018 1.638 -2.202 143 1HB ALA 17 HB1 ALA 17 9.548 4.043 -2.578 144 2HB ALA 17 HB2 ALA 17 9.037 3.079 -3.964 145 3HB ALA 17 HB3 ALA 17 10.536 4.003 -4.039 146 H LEU 18 HN LEU 18 12.583 2.724 -4.432 147 HA LEU 18 HA LEU 18 12.204 0.735 -6.475 148 1HB LEU 18 HB2 LEU 18 14.123 2.754 -5.619 149 2HB LEU 18 HB1 LEU 18 14.941 1.317 -6.229 150 HG LEU 18 HG LEU 18 12.636 2.132 -7.860 151 1HD1 LEU 18 HD21 LEU 18 15.023 3.887 -8.209 152 2HD1 LEU 18 HD22 LEU 18 13.910 4.291 -6.903 153 3HD1 LEU 18 HD23 LEU 18 13.328 4.215 -8.565 154 1HD2 LEU 18 HD11 LEU 18 15.569 1.620 -8.446 155 2HD2 LEU 18 HD12 LEU 18 14.300 1.782 -9.661 156 3HD2 LEU 18 HD13 LEU 18 14.276 0.424 -8.535 157 H ASP 19 HN ASP 19 14.254 0.812 -3.548 158 HA ASP 19 HA ASP 19 15.376 -1.803 -3.791 159 1HB ASP 19 HB2 ASP 19 15.930 0.183 -2.238 160 2HB ASP 19 HB1 ASP 19 14.621 -0.409 -1.217 161 H LEU 20 HN LEU 20 12.341 -0.661 -2.286 162 HA LEU 20 HA LEU 20 11.558 -3.182 -1.161 163 1HB LEU 20 HB1 LEU 20 10.055 -1.706 -0.330 164 2HB LEU 20 HB2 LEU 20 10.610 -0.488 -1.472 165 HG LEU 20 HG LEU 20 9.023 -1.373 -3.166 166 1HD1 LEU 20 HD11 LEU 20 7.868 -3.302 -2.888 167 2HD1 LEU 20 HD12 LEU 20 7.458 -2.911 -1.217 168 3HD1 LEU 20 HD13 LEU 20 9.016 -3.646 -1.594 169 1HD2 LEU 20 HD21 LEU 20 6.901 -0.781 -1.801 170 2HD2 LEU 20 HD22 LEU 20 8.157 0.447 -1.959 171 3HD2 LEU 20 HD23 LEU 20 8.021 -0.488 -0.470 172 H LEU 21 HN LEU 21 10.616 -1.614 -4.231 173 HA LEU 21 HA LEU 21 8.969 -3.670 -5.229 174 1HB LEU 21 HB2 LEU 21 10.741 -1.556 -6.461 175 2HB LEU 21 HB1 LEU 21 9.788 -2.635 -7.481 176 HG LEU 21 HG LEU 21 8.126 -1.650 -5.349 177 1HD1 LEU 21 HD11 LEU 21 10.068 0.267 -6.347 178 2HD1 LEU 21 HD12 LEU 21 8.856 0.469 -5.079 179 3HD1 LEU 21 HD13 LEU 21 8.427 0.760 -6.765 180 1HD2 LEU 21 HD21 LEU 21 7.681 -2.471 -7.804 181 2HD2 LEU 21 HD22 LEU 21 7.953 -0.779 -8.222 182 3HD2 LEU 21 HD23 LEU 21 6.651 -1.215 -7.113 183 H GLU 22 HN GLU 22 12.478 -3.189 -5.699 184 HA GLU 22 HA GLU 22 13.008 -5.643 -7.115 185 1HB GLU 22 HB1 GLU 22 14.552 -3.713 -6.904 186 2HB GLU 22 HB2 GLU 22 14.680 -4.010 -5.170 187 1HG GLU 22 HG2 GLU 22 15.617 -6.250 -5.627 188 2HG GLU 22 HG1 GLU 22 15.490 -5.949 -7.359 189 H GLN 23 HN GLN 23 12.828 -4.782 -3.671 190 HA GLN 23 HA GLN 23 13.777 -7.210 -2.560 191 1HB GLN 23 HB2 GLN 23 13.460 -5.089 -1.355 192 2HB GLN 23 HB1 GLN 23 11.714 -5.230 -1.545 193 1HG GLN 23 HG1 GLN 23 11.656 -7.222 -0.186 194 2HG GLN 23 HG2 GLN 23 13.417 -7.296 -0.131 195 1HE2 GLN 23 HE21 GLN 23 12.113 -7.193 2.321 196 2HE2 GLN 23 HE22 GLN 23 12.300 -5.660 3.026 197 H ILE 24 HN ILE 24 10.443 -6.301 -3.531 198 HA ILE 24 HA ILE 24 9.114 -8.541 -2.385 199 HB ILE 24 HB ILE 24 8.472 -7.089 -4.972 200 1HG1 ILE 24 HG11 ILE 24 8.748 -5.386 -3.326 201 2HG1 ILE 24 HG12 ILE 24 7.018 -5.683 -3.406 202 1HG2 ILE 24 HG21 ILE 24 6.811 -8.646 -2.976 203 2HG2 ILE 24 HG22 ILE 24 7.058 -9.014 -4.684 204 3HG2 ILE 24 HG23 ILE 24 6.109 -7.604 -4.214 205 1HD1 ILE 24 HD11 ILE 24 7.458 -5.668 -1.094 206 2HD1 ILE 24 HD12 ILE 24 8.976 -6.548 -1.286 207 3HD1 ILE 24 HD13 ILE 24 7.439 -7.386 -1.494 208 H LYS 25 HN LYS 25 10.676 -8.174 -5.584 209 HA LYS 25 HA LYS 25 9.934 -10.751 -6.598 210 1HB LYS 25 HB2 LYS 25 10.729 -8.886 -7.967 211 2HB LYS 25 HB1 LYS 25 12.275 -8.889 -7.115 212 1HG LYS 25 HG1 LYS 25 12.706 -11.167 -7.906 213 2HG LYS 25 HG2 LYS 25 11.167 -11.176 -8.764 214 1HD LYS 25 HD2 LYS 25 11.963 -9.158 -10.050 215 2HD LYS 25 HD1 LYS 25 13.542 -9.368 -9.295 216 1HE LYS 25 HE1 LYS 25 13.917 -11.441 -10.389 217 2HE LYS 25 HE2 LYS 25 12.200 -11.630 -10.795 218 1HZ LYS 25 HZ1 LYS 25 14.133 -9.657 -11.880 219 2HZ LYS 25 HZ2 LYS 25 12.453 -9.460 -12.041 220 3HZ LYS 25 HZ3 LYS 25 13.225 -10.804 -12.739 221 H ASN 26 HN ASN 26 13.044 -9.620 -5.197 222 HA ASN 26 HA ASN 26 14.303 -12.169 -5.025 223 1HB ASN 26 HB2 ASN 26 15.319 -9.880 -4.784 224 2HB ASN 26 HB1 ASN 26 14.587 -9.773 -3.189 225 1HD2 ASN 26 HD21 ASN 26 16.526 -12.246 -5.003 226 2HD2 ASN 26 HD22 ASN 26 17.550 -12.598 -3.697 227 H GLY 27 HN GLY 27 12.576 -10.324 -2.513 228 1HA GLY 27 HA2 GLY 27 12.742 -12.699 -0.758 229 2HA GLY 27 HA1 GLY 27 12.474 -11.038 -0.235 230 H ALA 28 HN ALA 28 10.424 -10.862 -2.531 231 HA ALA 28 HA ALA 28 8.050 -10.774 -2.416 232 1HB ALA 28 HB1 ALA 28 9.019 -13.618 -2.448 233 2HB ALA 28 HB2 ALA 28 8.332 -12.667 -3.764 234 3HB ALA 28 HB3 ALA 28 7.287 -13.280 -2.483 235 H ASP 29 HN ASP 29 7.533 -9.793 -0.438 236 HA ASP 29 HA ASP 29 6.124 -11.394 1.497 237 1HB ASP 29 HB2 ASP 29 8.985 -11.154 1.681 238 2HB ASP 29 HB1 ASP 29 8.252 -10.353 3.072 239 H PHE 30 HN PHE 30 4.797 -9.488 0.686 240 HA PHE 30 HA PHE 30 5.502 -6.793 1.057 241 1HB PHE 30 HB1 PHE 30 3.082 -8.422 0.629 242 2HB PHE 30 HB2 PHE 30 2.771 -6.848 1.361 243 HD1 PHE 30 HD1 PHE 30 3.846 -8.617 -1.655 244 HD2 PHE 30 HD2 PHE 30 3.501 -4.761 0.216 245 HE1 PHE 30 HE1 PHE 30 4.153 -7.519 -3.858 246 HE2 PHE 30 HE2 PHE 30 3.808 -3.664 -1.989 247 HZ PHE 30 HZ PHE 30 4.133 -5.044 -4.026 248 H GLY 31 HN GLY 31 3.765 -8.959 3.322 249 1HA GLY 31 HA1 GLY 31 3.213 -6.986 5.297 250 2HA GLY 31 HA2 GLY 31 3.328 -8.716 5.616 251 H LYS 32 HN LYS 32 5.974 -9.240 5.025 252 HA LYS 32 HA LYS 32 7.310 -8.406 7.405 253 1HB LYS 32 HB2 LYS 32 7.701 -10.469 6.020 254 2HB LYS 32 HB1 LYS 32 8.489 -9.454 4.813 255 1HG LYS 32 HG1 LYS 32 10.133 -8.720 6.504 256 2HG LYS 32 HG2 LYS 32 9.345 -9.735 7.711 257 1HD LYS 32 HD2 LYS 32 9.818 -11.733 6.317 258 2HD LYS 32 HD1 LYS 32 10.644 -10.705 5.146 259 1HE LYS 32 HE1 LYS 32 12.353 -10.117 6.755 260 2HE LYS 32 HE2 LYS 32 11.451 -10.895 8.070 261 1HZ LYS 32 HZ1 LYS 32 13.312 -12.160 6.644 262 2HZ LYS 32 HZ2 LYS 32 11.945 -12.512 5.699 263 3HZ LYS 32 HZ3 LYS 32 11.985 -12.955 7.339 264 H LEU 33 HN LEU 33 7.553 -7.228 4.042 265 HA LEU 33 HA LEU 33 9.699 -5.385 4.501 266 1HB LEU 33 HB2 LEU 33 9.060 -6.058 2.275 267 2HB LEU 33 HB1 LEU 33 7.401 -5.514 2.530 268 HG LEU 33 HG LEU 33 8.199 -3.193 2.754 269 1HD1 LEU 33 HD11 LEU 33 10.692 -4.475 3.159 270 2HD1 LEU 33 HD12 LEU 33 10.366 -2.741 3.166 271 3HD1 LEU 33 HD13 LEU 33 10.847 -3.542 1.671 272 1HD2 LEU 33 HD21 LEU 33 9.470 -4.251 0.244 273 2HD2 LEU 33 HD22 LEU 33 8.469 -2.816 0.460 274 3HD2 LEU 33 HD23 LEU 33 7.730 -4.417 0.481 275 H ALA 34 HN ALA 34 6.164 -5.056 4.750 276 HA ALA 34 HA ALA 34 6.036 -2.258 5.114 277 1HB ALA 34 HB1 ALA 34 4.275 -4.176 6.617 278 2HB ALA 34 HB2 ALA 34 4.249 -4.172 4.855 279 3HB ALA 34 HB3 ALA 34 3.826 -2.710 5.745 280 H LYS 35 HN LYS 35 6.161 -4.800 7.672 281 HA LYS 35 HA LYS 35 6.327 -2.940 9.846 282 1HB LYS 35 HB1 LYS 35 6.751 -4.869 11.151 283 2HB LYS 35 HB2 LYS 35 5.824 -5.480 9.783 284 1HG LYS 35 HG1 LYS 35 7.914 -6.145 8.664 285 2HG LYS 35 HG2 LYS 35 8.847 -5.534 10.026 286 1HD LYS 35 HD1 LYS 35 7.619 -7.136 11.510 287 2HD LYS 35 HD2 LYS 35 6.831 -7.799 10.080 288 1HE LYS 35 HE1 LYS 35 9.000 -8.464 9.148 289 2HE LYS 35 HE2 LYS 35 9.841 -7.710 10.515 290 1HZ LYS 35 HZ1 LYS 35 9.267 -9.380 11.885 291 2HZ LYS 35 HZ2 LYS 35 8.977 -10.271 10.469 292 3HZ LYS 35 HZ3 LYS 35 7.693 -9.496 11.265 293 H LYS 36 HN LYS 36 8.868 -4.555 7.944 294 HA LYS 36 HA LYS 36 11.088 -3.798 9.524 295 1HB LYS 36 HB2 LYS 36 11.025 -5.496 7.719 296 2HB LYS 36 HB1 LYS 36 10.878 -4.207 6.525 297 1HG LYS 36 HG1 LYS 36 13.049 -3.283 7.254 298 2HG LYS 36 HG2 LYS 36 13.196 -4.572 8.450 299 1HD LYS 36 HD1 LYS 36 13.141 -6.253 6.638 300 2HD LYS 36 HD2 LYS 36 13.004 -4.962 5.446 301 1HE LYS 36 HE2 LYS 36 15.197 -4.070 6.122 302 2HE LYS 36 HE1 LYS 36 15.328 -5.317 7.378 303 1HZ LYS 36 HZ1 LYS 36 15.318 -5.632 4.440 304 2HZ LYS 36 HZ2 LYS 36 14.812 -6.914 5.434 305 3HZ LYS 36 HZ3 LYS 36 16.389 -6.296 5.576 306 H HIS 37 HN HIS 37 9.772 -2.142 6.623 307 HA HIS 37 HA HIS 37 11.757 0.018 7.037 308 1HB HIS 37 HB1 HIS 37 9.981 -0.951 4.804 309 2HB HIS 37 HB2 HIS 37 10.807 0.602 4.689 310 HD1 HIS 37 HD1 HIS 37 11.729 -1.388 2.680 311 HD2 HIS 37 HD2 HIS 37 13.355 -1.271 6.517 312 HE1 HIS 37 HE1 HIS 37 13.995 -2.509 2.532 313 H SER 38 HN SER 38 8.342 -0.484 7.442 314 HA SER 38 HA SER 38 7.317 2.056 6.787 315 1HB SER 38 HB1 SER 38 5.944 0.105 7.266 316 2HB SER 38 HB2 SER 38 6.520 0.066 8.933 317 HG SER 38 HG SER 38 4.990 2.102 7.690 318 H ILE 39 HN ILE 39 8.617 0.930 9.924 319 HA ILE 39 HA ILE 39 8.997 2.162 11.925 320 HB ILE 39 HB ILE 39 10.676 3.917 11.460 321 1HG1 ILE 39 HG12 ILE 39 10.040 3.456 8.537 322 2HG1 ILE 39 HG11 ILE 39 9.416 4.828 9.454 323 1HG2 ILE 39 HG21 ILE 39 12.257 2.402 10.775 324 2HG2 ILE 39 HG22 ILE 39 11.293 1.857 9.403 325 3HG2 ILE 39 HG23 ILE 39 10.928 1.269 11.025 326 1HD1 ILE 39 HD11 ILE 39 11.945 4.597 8.196 327 2HD1 ILE 39 HD12 ILE 39 12.240 4.554 9.934 328 3HD1 ILE 39 HD13 ILE 39 11.374 5.914 9.220 329 H CYS 40 HN CYS 40 6.433 2.825 10.537 330 HA CYS 40 HA CYS 40 6.133 5.684 11.409 331 1HB CYS 40 HB1 CYS 40 6.103 5.385 8.978 332 2HB CYS 40 HB2 CYS 40 4.897 4.106 9.125 333 HG CYS 40 HG CYS 40 4.311 7.084 9.153 334 HA PRO 41 HA PRO 41 3.093 4.336 14.310 335 1HB PRO 41 HB2 PRO 41 1.485 6.628 13.271 336 2HB PRO 41 HB1 PRO 41 1.933 6.232 14.940 337 1HG PRO 41 HG1 PRO 41 3.137 8.195 13.564 338 2HG PRO 41 HG2 PRO 41 3.997 7.210 14.755 339 1HD PRO 41 HD1 PRO 41 4.180 7.186 11.804 340 2HD PRO 41 HD2 PRO 41 5.391 6.728 13.016 341 H SER 42 HN SER 42 2.420 4.875 10.928 342 HA SER 42 HA SER 42 -0.083 3.254 11.099 343 1HB SER 42 HB2 SER 42 0.241 4.023 8.480 344 2HB SER 42 HB1 SER 42 -0.644 4.956 9.688 345 HG SER 42 HG SER 42 0.854 6.403 9.599 346 H GLY 43 HN GLY 43 2.953 2.431 11.168 347 1HA GLY 43 HA1 GLY 43 3.098 0.600 8.864 348 2HA GLY 43 HA2 GLY 43 4.251 0.681 10.200 349 H LYS 44 HN LYS 44 2.893 0.230 12.418 350 HA LYS 44 HA LYS 44 2.189 -2.540 12.439 351 1HB LYS 44 HB2 LYS 44 1.652 -0.201 14.291 352 2HB LYS 44 HB1 LYS 44 1.273 -1.868 14.721 353 1HG LYS 44 HG1 LYS 44 3.638 -2.495 14.380 354 2HG LYS 44 HG2 LYS 44 4.018 -0.827 13.949 355 1HD LYS 44 HD1 LYS 44 3.279 -0.081 16.184 356 2HD LYS 44 HD2 LYS 44 2.898 -1.748 16.616 357 1HE LYS 44 HE2 LYS 44 5.345 -2.301 16.081 358 2HE LYS 44 HE1 LYS 44 5.625 -0.549 16.050 359 1HZ LYS 44 HZ1 LYS 44 4.225 -0.684 18.253 360 2HZ LYS 44 HZ2 LYS 44 5.901 -0.962 18.273 361 3HZ LYS 44 HZ3 LYS 44 4.819 -2.272 18.288 362 H ARG 45 HN ARG 45 0.177 0.411 12.260 363 HA ARG 45 HA ARG 45 -2.274 -1.249 12.177 364 1HB ARG 45 HB2 ARG 45 -2.357 0.608 13.653 365 2HB ARG 45 HB1 ARG 45 -1.604 1.684 12.474 366 1HG ARG 45 HG2 ARG 45 -3.975 2.179 12.542 367 2HG ARG 45 HG1 ARG 45 -3.614 1.377 11.012 368 1HD ARG 45 HD1 ARG 45 -4.395 -0.774 11.936 369 2HD ARG 45 HD2 ARG 45 -4.724 0.003 13.494 370 HE ARG 45 HE ARG 45 -6.298 0.331 11.026 371 1HH1 ARG 45 HH11 ARG 45 -5.396 1.610 14.112 372 2HH1 ARG 45 HH12 ARG 45 -6.846 2.538 14.289 373 1HH2 ARG 45 HH21 ARG 45 -8.183 1.542 11.253 374 2HH2 ARG 45 HH22 ARG 45 -8.419 2.502 12.675 375 H GLY 46 HN GLY 46 -0.499 1.087 10.145 376 1HA GLY 46 HA2 GLY 46 -2.439 0.921 7.975 377 2HA GLY 46 HA1 GLY 46 -0.866 1.708 7.893 378 H GLY 47 HN GLY 47 0.228 -0.951 9.056 379 1HA GLY 47 HA2 GLY 47 0.744 -2.285 6.497 380 2HA GLY 47 HA1 GLY 47 1.329 -2.804 8.069 381 H ASP 48 HN ASP 48 -1.881 -2.204 8.490 382 HA ASP 48 HA ASP 48 -3.118 -4.530 7.304 383 1HB ASP 48 HB2 ASP 48 -1.449 -5.395 9.079 384 2HB ASP 48 HB1 ASP 48 -2.551 -4.704 10.272 385 H LEU 49 HN LEU 49 -4.376 -2.408 7.006 386 HA LEU 49 HA LEU 49 -5.695 -1.242 9.327 387 1HB LEU 49 HB1 LEU 49 -6.054 -0.983 6.323 388 2HB LEU 49 HB2 LEU 49 -6.855 0.054 7.505 389 HG LEU 49 HG LEU 49 -3.908 -0.220 7.799 390 1HD1 LEU 49 HD11 LEU 49 -4.299 1.887 5.952 391 2HD1 LEU 49 HD12 LEU 49 -5.114 0.480 5.270 392 3HD1 LEU 49 HD13 LEU 49 -3.403 0.391 5.690 393 1HD2 LEU 49 HD21 LEU 49 -5.810 2.142 7.820 394 2HD2 LEU 49 HD22 LEU 49 -4.120 2.167 8.329 395 3HD2 LEU 49 HD23 LEU 49 -5.305 1.233 9.244 396 H GLY 50 HN GLY 50 -6.306 -3.960 7.334 397 1HA GLY 50 HA2 GLY 50 -8.073 -5.542 7.658 398 2HA GLY 50 HA1 GLY 50 -8.946 -4.335 8.602 399 H GLU 51 HN GLU 51 -10.882 -4.546 7.396 400 HA GLU 51 HA GLU 51 -10.717 -3.750 4.512 401 1HB GLU 51 HB2 GLU 51 -11.672 -5.989 5.200 402 2HB GLU 51 HB1 GLU 51 -12.960 -5.114 6.029 403 1HG GLU 51 HG2 GLU 51 -13.693 -4.106 3.953 404 2HG GLU 51 HG1 GLU 51 -12.302 -4.765 3.092 405 H PHE 52 HN PHE 52 -11.616 -1.803 3.949 406 HA PHE 52 HA PHE 52 -13.560 -0.505 5.824 407 1HB PHE 52 HB1 PHE 52 -12.190 1.605 5.425 408 2HB PHE 52 HB2 PHE 52 -11.399 0.369 6.402 409 HD1 PHE 52 HD1 PHE 52 -9.212 -0.201 5.858 410 HD2 PHE 52 HD2 PHE 52 -11.811 1.291 2.776 411 HE1 PHE 52 HE1 PHE 52 -7.340 -0.297 4.235 412 HE2 PHE 52 HE2 PHE 52 -9.937 1.194 1.150 413 HZ PHE 52 HZ PHE 52 -7.701 0.401 1.881 414 H ARG 53 HN ARG 53 -14.835 1.176 4.768 415 HA ARG 53 HA ARG 53 -15.351 0.552 1.927 416 1HB ARG 53 HB2 ARG 53 -17.399 1.777 2.352 417 2HB ARG 53 HB1 ARG 53 -17.088 0.764 3.763 418 1HG ARG 53 HG1 ARG 53 -16.045 2.682 4.910 419 2HG ARG 53 HG2 ARG 53 -16.356 3.697 3.502 420 1HD ARG 53 HD2 ARG 53 -18.800 3.296 3.778 421 2HD ARG 53 HD1 ARG 53 -18.457 2.342 5.234 422 HE ARG 53 HE ARG 53 -18.320 5.246 5.034 423 1HH1 ARG 53 HH11 ARG 53 -16.997 2.415 6.512 424 2HH1 ARG 53 HH12 ARG 53 -16.437 3.257 7.918 425 1HH2 ARG 53 HH21 ARG 53 -17.592 6.349 6.863 426 2HH2 ARG 53 HH22 ARG 53 -16.773 5.479 8.116 427 H GLN 54 HN GLN 54 -16.072 2.743 0.685 428 HA GLN 54 HA GLN 54 -13.710 4.259 0.150 429 1HB GLN 54 HB2 GLN 54 -15.210 5.546 -1.248 430 2HB GLN 54 HB1 GLN 54 -15.773 3.874 -1.285 431 1HG GLN 54 HG2 GLN 54 -17.318 4.506 0.654 432 2HG GLN 54 HG1 GLN 54 -16.911 6.185 0.301 433 1HE2 GLN 54 HE21 GLN 54 -16.951 6.404 -2.407 434 2HE2 GLN 54 HE22 GLN 54 -18.440 5.913 -3.056 435 H GLY 55 HN GLY 55 -12.936 6.145 1.093 436 1HA GLY 55 HA2 GLY 55 -13.120 8.217 2.303 437 2HA GLY 55 HA1 GLY 55 -14.719 7.719 2.850 438 H GLN 56 HN GLN 56 -11.312 6.554 3.175 439 HA GLN 56 HA GLN 56 -11.886 6.253 6.110 440 1HB GLN 56 HB2 GLN 56 -9.962 4.462 4.652 441 2HB GLN 56 HB1 GLN 56 -10.838 4.157 6.147 442 1HG GLN 56 HG1 GLN 56 -12.236 4.387 3.475 443 2HG GLN 56 HG2 GLN 56 -11.676 2.860 4.141 444 1HE2 GLN 56 HE21 GLN 56 -14.375 4.788 3.952 445 2HE2 GLN 56 HE22 GLN 56 -15.181 4.270 5.361 446 H MET 57 HN MET 57 -9.143 5.925 3.887 447 HA MET 57 HA MET 57 -7.517 7.302 5.939 448 1HB MET 57 HB2 MET 57 -7.163 4.917 5.510 449 2HB MET 57 HB1 MET 57 -6.869 5.257 3.805 450 1HG MET 57 HG2 MET 57 -4.757 4.984 5.119 451 2HG MET 57 HG1 MET 57 -4.895 6.576 4.366 452 1HE MET 57 HE1 MET 57 -6.202 4.569 7.129 453 2HE MET 57 HE2 MET 57 -7.210 5.893 7.708 454 3HE MET 57 HE3 MET 57 -5.809 5.387 8.648 455 H VAL 58 HN VAL 58 -7.201 6.733 2.423 456 HA VAL 58 HA VAL 58 -6.250 9.544 2.063 457 HB VAL 58 HB VAL 58 -4.417 8.061 2.843 458 1HG1 VAL 58 HG21 VAL 58 -5.572 6.027 1.717 459 2HG1 VAL 58 HG22 VAL 58 -3.810 6.090 1.708 460 3HG1 VAL 58 HG23 VAL 58 -4.716 6.537 0.263 461 1HG2 VAL 58 HG11 VAL 58 -3.702 8.366 -0.008 462 2HG2 VAL 58 HG12 VAL 58 -2.901 9.001 1.427 463 3HG2 VAL 58 HG13 VAL 58 -4.313 9.825 0.771 464 HA PRO 59 HA PRO 59 -8.461 9.120 -1.781 465 1HB PRO 59 HB2 PRO 59 -6.875 11.041 -3.104 466 2HB PRO 59 HB1 PRO 59 -8.378 11.359 -2.221 467 1HG PRO 59 HG1 PRO 59 -5.563 11.714 -1.366 468 2HG PRO 59 HG2 PRO 59 -7.004 12.639 -0.923 469 1HD PRO 59 HD2 PRO 59 -5.840 10.884 0.762 470 2HD PRO 59 HD1 PRO 59 -7.593 11.165 0.749 471 H ALA 60 HN ALA 60 -4.919 9.609 -2.021 472 HA ALA 60 HA ALA 60 -4.246 8.480 -4.417 473 1HB ALA 60 HB1 ALA 60 -2.892 7.617 -1.857 474 2HB ALA 60 HB2 ALA 60 -2.827 9.290 -2.406 475 3HB ALA 60 HB3 ALA 60 -2.148 8.008 -3.406 476 H PHE 61 HN PHE 61 -5.410 6.707 -1.580 477 HA PHE 61 HA PHE 61 -4.894 4.040 -2.459 478 1HB PHE 61 HB2 PHE 61 -5.590 4.693 -0.189 479 2HB PHE 61 HB1 PHE 61 -7.157 5.213 -0.812 480 HD1 PHE 61 HD1 PHE 61 -8.831 3.600 -1.549 481 HD2 PHE 61 HD2 PHE 61 -5.000 2.308 -0.088 482 HE1 PHE 61 HE1 PHE 61 -9.682 1.275 -1.376 483 HE2 PHE 61 HE2 PHE 61 -5.851 -0.016 0.084 484 HZ PHE 61 HZ PHE 61 -8.191 -0.534 -0.557 485 H ASP 62 HN ASP 62 -7.665 6.210 -3.057 486 HA ASP 62 HA ASP 62 -9.366 4.346 -4.358 487 1HB ASP 62 HB1 ASP 62 -10.001 6.599 -3.572 488 2HB ASP 62 HB2 ASP 62 -8.974 7.321 -4.812 489 H LYS 63 HN LYS 63 -6.781 6.406 -5.661 490 HA LYS 63 HA LYS 63 -7.240 5.978 -8.418 491 1HB LYS 63 HB1 LYS 63 -4.718 6.433 -6.795 492 2HB LYS 63 HB2 LYS 63 -4.788 6.577 -8.552 493 1HG LYS 63 HG1 LYS 63 -6.542 8.303 -8.340 494 2HG LYS 63 HG2 LYS 63 -6.472 8.159 -6.584 495 1HD LYS 63 HD2 LYS 63 -4.103 8.856 -6.621 496 2HD LYS 63 HD1 LYS 63 -4.174 9.000 -8.378 497 1HE LYS 63 HE1 LYS 63 -5.569 10.889 -8.294 498 2HE LYS 63 HE2 LYS 63 -6.151 10.503 -6.664 499 1HZ LYS 63 HZ1 LYS 63 -4.566 12.023 -6.113 500 2HZ LYS 63 HZ2 LYS 63 -3.633 11.734 -7.504 501 3HZ LYS 63 HZ3 LYS 63 -3.560 10.660 -6.190 502 H VAL 64 HN VAL 64 -5.316 4.033 -6.120 503 HA VAL 64 HA VAL 64 -4.400 2.253 -8.262 504 HB VAL 64 HB VAL 64 -2.914 1.442 -6.673 505 1HG1 VAL 64 HG21 VAL 64 -3.393 3.746 -4.914 506 2HG1 VAL 64 HG22 VAL 64 -3.330 4.158 -6.627 507 3HG1 VAL 64 HG23 VAL 64 -1.969 3.332 -5.869 508 1HG2 VAL 64 HG11 VAL 64 -3.345 1.152 -4.319 509 2HG2 VAL 64 HG12 VAL 64 -4.725 0.504 -5.199 510 3HG2 VAL 64 HG13 VAL 64 -4.840 2.077 -4.416 511 H VAL 65 HN VAL 65 -6.555 1.805 -5.402 512 HA VAL 65 HA VAL 65 -7.179 -0.917 -5.858 513 HB VAL 65 HB VAL 65 -7.843 0.323 -3.856 514 1HG1 VAL 65 HG21 VAL 65 -9.511 2.047 -3.887 515 2HG1 VAL 65 HG22 VAL 65 -9.870 1.755 -5.589 516 3HG1 VAL 65 HG23 VAL 65 -8.323 2.464 -5.122 517 1HG2 VAL 65 HG11 VAL 65 -9.360 -1.552 -5.140 518 2HG2 VAL 65 HG12 VAL 65 -10.530 -0.247 -4.944 519 3HG2 VAL 65 HG13 VAL 65 -9.720 -0.924 -3.532 520 H PHE 66 HN PHE 66 -8.197 1.953 -7.573 521 HA PHE 66 HA PHE 66 -10.126 0.391 -9.233 522 1HB PHE 66 HB1 PHE 66 -9.525 3.252 -8.623 523 2HB PHE 66 HB2 PHE 66 -10.162 2.898 -10.230 524 HD1 PHE 66 HD1 PHE 66 -12.300 1.451 -10.376 525 HD2 PHE 66 HD2 PHE 66 -10.962 3.358 -6.762 526 HE1 PHE 66 HE1 PHE 66 -14.584 1.252 -9.425 527 HE2 PHE 66 HE2 PHE 66 -13.246 3.157 -5.811 528 HZ PHE 66 HZ PHE 66 -15.057 2.105 -7.143 529 H SER 67 HN SER 67 -6.939 0.546 -9.118 530 HA SER 67 HA SER 67 -6.415 1.246 -11.957 531 1HB SER 67 HB1 SER 67 -5.051 2.254 -10.187 532 2HB SER 67 HB2 SER 67 -4.623 0.652 -9.586 533 HG SER 67 HG SER 67 -3.257 1.948 -11.268 534 H CYS 68 HN CYS 68 -5.997 -1.453 -9.650 535 HA CYS 68 HA CYS 68 -5.426 -3.241 -11.995 536 1HB CYS 68 HB2 CYS 68 -4.363 -3.362 -9.155 537 2HB CYS 68 HB1 CYS 68 -3.876 -4.404 -10.494 538 HG CYS 68 HG CYS 68 -2.304 -2.163 -10.061 539 HA PRO 69 HA PRO 69 -8.722 -5.824 -10.588 540 1HB PRO 69 HB1 PRO 69 -7.190 -8.190 -11.389 541 2HB PRO 69 HB2 PRO 69 -8.661 -7.516 -12.111 542 1HG PRO 69 HG2 PRO 69 -6.217 -7.446 -13.303 543 2HG PRO 69 HG1 PRO 69 -7.499 -6.268 -13.611 544 1HD PRO 69 HD2 PRO 69 -5.031 -5.995 -11.974 545 2HD PRO 69 HD1 PRO 69 -5.895 -4.779 -12.940 546 H VAL 70 HN VAL 70 -7.660 -5.145 -8.378 547 HA VAL 70 HA VAL 70 -6.647 -5.722 -6.289 548 HB VAL 70 HB VAL 70 -9.095 -5.953 -6.410 549 1HG1 VAL 70 HG11 VAL 70 -8.461 -8.383 -7.803 550 2HG1 VAL 70 HG12 VAL 70 -10.005 -7.565 -7.645 551 3HG1 VAL 70 HG13 VAL 70 -9.500 -8.734 -6.430 552 1HG2 VAL 70 HG21 VAL 70 -8.398 -8.294 -4.732 553 2HG2 VAL 70 HG22 VAL 70 -9.334 -6.855 -4.340 554 3HG2 VAL 70 HG23 VAL 70 -7.576 -6.778 -4.370 555 H LEU 71 HN LEU 71 -6.377 -8.098 -4.910 556 HA LEU 71 HA LEU 71 -4.590 -9.569 -4.540 557 1HB LEU 71 HB2 LEU 71 -5.531 -10.490 -7.274 558 2HB LEU 71 HB1 LEU 71 -4.623 -11.459 -6.114 559 HG LEU 71 HG LEU 71 -6.630 -10.763 -4.506 560 1HD1 LEU 71 HD21 LEU 71 -8.355 -11.126 -6.849 561 2HD1 LEU 71 HD22 LEU 71 -7.467 -9.605 -6.881 562 3HD1 LEU 71 HD23 LEU 71 -8.505 -9.991 -5.509 563 1HD2 LEU 71 HD11 LEU 71 -5.959 -13.023 -6.104 564 2HD2 LEU 71 HD12 LEU 71 -7.710 -12.828 -6.178 565 3HD2 LEU 71 HD13 LEU 71 -6.906 -12.993 -4.617 566 H GLU 72 HN GLU 72 -3.979 -7.008 -5.988 567 HA GLU 72 HA GLU 72 -1.355 -7.853 -7.113 568 1HB GLU 72 HB1 GLU 72 -3.125 -7.722 -8.914 569 2HB GLU 72 HB2 GLU 72 -3.295 -6.008 -8.536 570 1HG GLU 72 HG2 GLU 72 -0.502 -6.784 -8.898 571 2HG GLU 72 HG1 GLU 72 -1.474 -7.108 -10.333 572 HA PRO 73 HA PRO 73 -0.846 -4.413 -4.126 573 1HB PRO 73 HB2 PRO 73 1.970 -5.149 -4.797 574 2HB PRO 73 HB1 PRO 73 1.228 -4.867 -3.212 575 1HG PRO 73 HG1 PRO 73 1.792 -7.333 -4.120 576 2HG PRO 73 HG2 PRO 73 0.408 -7.000 -3.071 577 1HD PRO 73 HD1 PRO 73 0.471 -7.659 -5.952 578 2HD PRO 73 HD2 PRO 73 -0.823 -7.902 -4.761 579 H THR 74 HN THR 74 -1.330 -2.565 -5.294 580 HA THR 74 HA THR 74 0.176 -1.968 -7.780 581 HB THR 74 HB THR 74 -2.210 -0.678 -6.415 582 HG1 THR 74 HG1 THR 74 -3.106 -2.396 -7.213 583 1HG2 THR 74 HG21 THR 74 -2.551 0.416 -8.619 584 2HG2 THR 74 HG22 THR 74 -1.019 -0.263 -9.171 585 3HG2 THR 74 HG23 THR 74 -1.039 0.913 -7.858 586 H GLY 75 HN GLY 75 1.763 -0.419 -7.842 587 1HA GLY 75 HA1 GLY 75 2.119 2.011 -6.888 588 2HA GLY 75 HA2 GLY 75 2.254 1.142 -5.362 589 HA PRO 76 HA PRO 76 3.658 1.987 -4.293 590 1HB PRO 76 HB1 PRO 76 5.681 3.803 -4.001 591 2HB PRO 76 HB2 PRO 76 5.783 2.135 -3.409 592 1HG PRO 76 HG2 PRO 76 6.919 3.351 -5.883 593 2HG PRO 76 HG1 PRO 76 7.630 2.161 -4.784 594 1HD PRO 76 HD1 PRO 76 6.517 1.510 -7.183 595 2HD PRO 76 HD2 PRO 76 6.564 0.402 -5.796 596 H LEU 77 HN LEU 77 2.377 3.845 -4.193 597 HA LEU 77 HA LEU 77 2.166 5.427 -6.697 598 1HB LEU 77 HB2 LEU 77 0.192 4.322 -5.745 599 2HB LEU 77 HB1 LEU 77 0.434 5.169 -4.218 600 HG LEU 77 HG LEU 77 0.227 7.341 -5.508 601 1HD1 LEU 77 HD11 LEU 77 -0.967 5.597 -7.670 602 2HD1 LEU 77 HD12 LEU 77 0.709 6.144 -7.728 603 3HD1 LEU 77 HD13 LEU 77 -0.603 7.322 -7.740 604 1HD2 LEU 77 HD21 LEU 77 -2.239 5.631 -5.827 605 2HD2 LEU 77 HD22 LEU 77 -2.138 7.337 -5.390 606 3HD2 LEU 77 HD23 LEU 77 -1.647 6.099 -4.232 607 H HIS 78 HN HIS 78 2.027 7.777 -6.607 608 HA HIS 78 HA HIS 78 3.874 9.019 -4.722 609 1HB HIS 78 HB1 HIS 78 3.601 9.657 -7.108 610 2HB HIS 78 HB2 HIS 78 1.950 10.180 -6.765 611 HD1 HIS 78 HD1 HIS 78 5.143 11.603 -7.180 612 HD2 HIS 78 HD2 HIS 78 2.147 12.149 -4.332 613 HE1 HIS 78 HE1 HIS 78 5.592 13.844 -6.088 614 H THR 79 HN THR 79 3.312 9.855 -2.748 615 HA THR 79 HA THR 79 0.535 10.862 -2.343 616 HB THR 79 HB THR 79 0.735 8.479 -1.586 617 HG1 THR 79 HG1 THR 79 -0.730 9.376 -0.364 618 1HG2 THR 79 HG21 THR 79 3.038 9.673 -0.112 619 2HG2 THR 79 HG22 THR 79 2.867 8.069 -0.824 620 3HG2 THR 79 HG23 THR 79 2.097 8.435 0.719 621 H GLN 80 HN GLN 80 0.409 12.330 -0.463 622 HA GLN 80 HA GLN 80 2.511 14.228 -0.363 623 1HB GLN 80 HB1 GLN 80 0.203 13.577 1.493 624 2HB GLN 80 HB2 GLN 80 1.202 15.019 1.674 625 1HG GLN 80 HG2 GLN 80 0.589 15.791 -0.545 626 2HG GLN 80 HG1 GLN 80 -0.280 14.290 -0.868 627 1HE2 GLN 80 HE21 GLN 80 -1.371 17.096 -0.765 628 2HE2 GLN 80 HE22 GLN 80 -2.593 17.062 0.413 629 H PHE 81 HN PHE 81 1.997 11.313 1.533 630 HA PHE 81 HA PHE 81 4.037 12.129 3.526 631 1HB PHE 81 HB2 PHE 81 2.158 9.768 3.223 632 2HB PHE 81 HB1 PHE 81 3.250 9.981 4.592 633 HD1 PHE 81 HD1 PHE 81 2.956 11.881 6.157 634 HD2 PHE 81 HD2 PHE 81 0.176 11.131 2.965 635 HE1 PHE 81 HE1 PHE 81 1.305 13.381 7.244 636 HE2 PHE 81 HE2 PHE 81 -1.475 12.633 4.051 637 HZ PHE 81 HZ PHE 81 -0.911 13.758 6.190 638 H GLY 82 HN GLY 82 4.504 11.157 0.555 639 1HA GLY 82 HA2 GLY 82 6.846 10.296 0.107 640 2HA GLY 82 HA1 GLY 82 6.478 9.023 1.271 641 H TYR 83 HN TYR 83 6.237 7.151 0.115 642 HA TYR 83 HA TYR 83 4.495 7.263 -2.330 643 1HB TYR 83 HB1 TYR 83 6.830 5.432 -1.676 644 2HB TYR 83 HB2 TYR 83 5.916 5.446 -3.184 645 HD1 TYR 83 HD1 TYR 83 6.032 7.412 -4.715 646 HD2 TYR 83 HD2 TYR 83 8.503 7.100 -1.210 647 HE1 TYR 83 HE1 TYR 83 7.516 9.195 -5.600 648 HE2 TYR 83 HE2 TYR 83 9.985 8.882 -2.095 649 HH TYR 83 HH TYR 83 9.285 10.994 -4.172 650 H HIS 84 HN HIS 84 2.683 5.987 -2.177 651 HA HIS 84 HA HIS 84 2.503 4.012 0.063 652 1HB HIS 84 HB2 HIS 84 0.478 5.463 -1.661 653 2HB HIS 84 HB1 HIS 84 0.027 4.100 -0.645 654 HD1 HIS 84 HD1 HIS 84 -0.985 7.034 -0.132 655 HD2 HIS 84 HD2 HIS 84 2.232 5.238 1.818 656 HE1 HIS 84 HE1 HIS 84 -0.708 8.258 2.067 657 H ILE 85 HN ILE 85 2.705 1.887 -0.446 658 HA ILE 85 HA ILE 85 1.866 1.029 -3.195 659 HB ILE 85 HB ILE 85 4.289 0.627 -2.380 660 1HG1 ILE 85 HG12 ILE 85 3.060 -2.014 -2.982 661 2HG1 ILE 85 HG11 ILE 85 2.726 -0.712 -4.126 662 1HG2 ILE 85 HG21 ILE 85 3.296 -1.799 -0.996 663 2HG2 ILE 85 HG22 ILE 85 3.089 -0.282 -0.122 664 3HG2 ILE 85 HG23 ILE 85 4.697 -0.791 -0.637 665 1HD1 ILE 85 HD11 ILE 85 4.859 -2.171 -4.487 666 2HD1 ILE 85 HD12 ILE 85 5.537 -1.215 -3.168 667 3HD1 ILE 85 HD13 ILE 85 4.998 -0.420 -4.649 668 H ILE 86 HN ILE 86 0.005 -0.122 -3.214 669 HA ILE 86 HA ILE 86 -1.183 -0.790 -0.558 670 HB ILE 86 HB ILE 86 -2.286 0.042 -3.254 671 1HG1 ILE 86 HG11 ILE 86 -2.309 1.489 -0.594 672 2HG1 ILE 86 HG12 ILE 86 -1.076 1.743 -1.829 673 1HG2 ILE 86 HG21 ILE 86 -3.602 -1.419 -1.237 674 2HG2 ILE 86 HG22 ILE 86 -4.345 -0.577 -2.595 675 3HG2 ILE 86 HG23 ILE 86 -4.149 0.247 -1.049 676 1HD1 ILE 86 HD11 ILE 86 -3.154 3.323 -1.791 677 2HD1 ILE 86 HD12 ILE 86 -3.995 1.961 -2.532 678 3HD1 ILE 86 HD13 ILE 86 -2.605 2.685 -3.341 679 H LYS 87 HN LYS 87 -1.560 -2.919 -0.139 680 HA LYS 87 HA LYS 87 -1.692 -4.940 -2.305 681 1HB LYS 87 HB2 LYS 87 -2.279 -5.283 0.643 682 2HB LYS 87 HB1 LYS 87 -1.682 -6.491 -0.492 683 1HG LYS 87 HG2 LYS 87 0.427 -5.171 -0.719 684 2HG LYS 87 HG1 LYS 87 -0.165 -4.070 0.523 685 1HD LYS 87 HD2 LYS 87 -0.533 -6.420 1.803 686 2HD LYS 87 HD1 LYS 87 0.838 -6.858 0.783 687 1HE LYS 87 HE1 LYS 87 2.159 -5.014 1.668 688 2HE LYS 87 HE2 LYS 87 0.762 -4.402 2.573 689 1HZ LYS 87 HZ1 LYS 87 0.947 -6.020 4.109 690 2HZ LYS 87 HZ2 LYS 87 2.545 -6.170 3.553 691 3HZ LYS 87 HZ3 LYS 87 1.339 -7.214 2.970 692 H VAL 88 HN VAL 88 -3.672 -5.527 -3.185 693 HA VAL 88 HA VAL 88 -6.135 -4.474 -1.843 694 HB VAL 88 HB VAL 88 -5.648 -5.359 -4.707 695 1HG1 VAL 88 HG11 VAL 88 -8.034 -5.091 -3.453 696 2HG1 VAL 88 HG12 VAL 88 -7.798 -4.719 -5.161 697 3HG1 VAL 88 HG13 VAL 88 -7.773 -3.424 -3.965 698 1HG2 VAL 88 HG21 VAL 88 -4.642 -3.093 -3.381 699 2HG2 VAL 88 HG22 VAL 88 -6.035 -2.515 -4.294 700 3HG2 VAL 88 HG23 VAL 88 -4.721 -3.347 -5.124 701 H LEU 89 HN LEU 89 -7.547 -5.968 -1.016 702 HA LEU 89 HA LEU 89 -7.355 -8.788 -1.971 703 1HB LEU 89 HB2 LEU 89 -7.571 -7.740 0.859 704 2HB LEU 89 HB1 LEU 89 -7.563 -9.441 0.411 705 HG LEU 89 HG LEU 89 -5.323 -7.481 -0.181 706 1HD1 LEU 89 HD11 LEU 89 -5.980 -9.084 2.165 707 2HD1 LEU 89 HD12 LEU 89 -4.734 -7.852 1.969 708 3HD1 LEU 89 HD13 LEU 89 -4.407 -9.519 1.496 709 1HD2 LEU 89 HD21 LEU 89 -5.573 -9.343 -1.814 710 2HD2 LEU 89 HD22 LEU 89 -5.480 -10.496 -0.483 711 3HD2 LEU 89 HD23 LEU 89 -4.090 -9.484 -0.872 712 H TYR 90 HN TYR 90 -9.392 -9.257 -2.782 713 HA TYR 90 HA TYR 90 -11.707 -9.600 -2.850 714 1HB TYR 90 HB2 TYR 90 -11.663 -8.361 -0.081 715 2HB TYR 90 HB1 TYR 90 -12.896 -9.419 -0.754 716 HD1 TYR 90 HD1 TYR 90 -12.330 -11.797 -1.332 717 HD2 TYR 90 HD2 TYR 90 -9.641 -9.256 0.857 718 HE1 TYR 90 HE1 TYR 90 -11.060 -13.791 -0.580 719 HE2 TYR 90 HE2 TYR 90 -8.370 -11.251 1.610 720 HH TYR 90 HH TYR 90 -7.991 -13.573 0.881 721 H ARG 91 HN ARG 91 -10.254 -6.596 -2.752 722 HA ARG 91 HA ARG 91 -11.043 -4.405 -3.250 723 1HB ARG 91 HB1 ARG 91 -11.935 -4.517 -5.455 724 2HB ARG 91 HB2 ARG 91 -11.042 -6.019 -5.269 725 1HG ARG 91 HG1 ARG 91 -13.030 -7.279 -4.886 726 2HG ARG 91 HG2 ARG 91 -14.003 -5.821 -4.687 727 1HD ARG 91 HD1 ARG 91 -13.838 -5.296 -7.023 728 2HD ARG 91 HD2 ARG 91 -12.545 -6.486 -7.267 729 HE ARG 91 HE ARG 91 -14.653 -7.960 -6.201 730 1HH1 ARG 91 HH11 ARG 91 -14.201 -5.828 -8.883 731 2HH1 ARG 91 HH12 ARG 91 -15.370 -6.628 -9.878 732 1HH2 ARG 91 HH21 ARG 91 -16.174 -9.010 -7.494 733 2HH2 ARG 91 HH22 ARG 91 -16.484 -8.425 -9.096 734 H ASN 92 HN ASN 92 -13.583 -3.545 -4.176 735 HA ASN 92 HA ASN 92 -15.082 -3.455 -1.680 736 1HB ASN 92 HB1 ASN 92 -15.431 -2.400 -4.492 737 2HB ASN 92 HB2 ASN 92 -16.644 -2.126 -3.242 738 1HD2 ASN 92 HD21 ASN 92 -14.931 -0.061 -4.522 739 2HD2 ASN 92 HD22 ASN 92 -14.026 0.644 -3.270
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