NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21315 | 2hgc | 7260 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 5 H LYS 5 -9.912 0.661 5.012 2 HA LYS 5 HA LYS 5 -12.033 2.114 3.596 3 1HB LYS 5 2HB LYS 5 -12.349 2.333 6.060 4 2HB LYS 5 1HB LYS 5 -10.728 3.000 6.182 5 1HG LYS 5 2HG LYS 5 -11.431 4.864 4.712 6 2HG LYS 5 1HG LYS 5 -13.073 4.219 4.738 7 1HD LYS 5 2HD LYS 5 -11.499 5.095 7.161 8 2HD LYS 5 1HD LYS 5 -12.751 6.047 6.362 9 1HE LYS 5 2HE LYS 5 -13.174 3.333 7.616 10 2HE LYS 5 1HE LYS 5 -13.562 4.872 8.383 11 1HZ LYS 5 1HZ LYS 5 -15.524 3.919 7.399 12 2HZ LYS 5 2HZ LYS 5 -14.767 3.799 5.886 13 3HZ LYS 5 3HZ LYS 5 -15.100 5.325 6.547 14 H LEU 6 H LEU 6 -8.816 2.474 5.105 15 HA LEU 6 HA LEU 6 -8.029 4.179 2.858 16 1HB LEU 6 2HB LEU 6 -6.739 3.703 5.540 17 2HB LEU 6 1HB LEU 6 -5.979 4.625 4.259 18 HG LEU 6 HG LEU 6 -6.892 6.244 5.665 19 1HD1 LEU 6 1HD1 LEU 6 -8.725 7.278 4.413 20 2HD1 LEU 6 2HD1 LEU 6 -8.935 5.781 3.502 21 3HD1 LEU 6 3HD1 LEU 6 -7.435 6.698 3.358 22 1HD2 LEU 6 1HD2 LEU 6 -9.453 4.659 5.778 23 2HD2 LEU 6 2HD2 LEU 6 -9.141 6.192 6.591 24 3HD2 LEU 6 3HD2 LEU 6 -8.239 4.750 7.052 25 H ARG 7 H ARG 7 -8.065 0.995 3.356 26 HA ARG 7 HA ARG 7 -5.337 0.235 3.045 27 1HB ARG 7 2HB ARG 7 -7.729 -1.412 2.229 28 2HB ARG 7 1HB ARG 7 -6.132 -1.991 2.673 29 1HG ARG 7 2HG ARG 7 -7.998 -0.589 4.566 30 2HG ARG 7 1HG ARG 7 -7.891 -2.337 4.393 31 1HD ARG 7 2HD ARG 7 -5.541 -2.258 5.061 32 2HD ARG 7 1HD ARG 7 -5.657 -0.504 5.244 33 HE ARG 7 HE ARG 7 -7.671 -1.691 6.779 34 1HH1 ARG 7 1HH1 ARG 7 -4.172 -1.504 6.748 35 2HH1 ARG 7 2HH1 ARG 7 -4.028 -1.619 8.479 36 1HH2 ARG 7 1HH2 ARG 7 -7.454 -1.828 9.066 37 2HH2 ARG 7 2HH2 ARG 7 -5.864 -1.787 9.774 38 H TYR 8 H TYR 8 -8.075 0.165 0.751 39 HA TYR 8 HA TYR 8 -6.510 -0.301 -1.542 40 1HB TYR 8 2HB TYR 8 -8.781 -0.708 -1.881 41 2HB TYR 8 1HB TYR 8 -9.270 0.789 -1.091 42 HD1 TYR 8 HD1 TYR 8 -7.742 -0.582 -4.182 43 HD2 TYR 8 HD2 TYR 8 -9.604 2.764 -2.332 44 HE1 TYR 8 HE1 TYR 8 -7.872 0.547 -6.360 45 HE2 TYR 8 HE2 TYR 8 -9.740 3.901 -4.505 46 HH TYR 8 HH TYR 8 -8.590 3.838 -6.676 47 H ALA 9 H ALA 9 -7.526 2.666 0.047 48 HA ALA 9 HA ALA 9 -6.913 4.470 -1.983 49 1HB ALA 9 1HB ALA 9 -8.256 5.019 -0.012 50 2HB ALA 9 2HB ALA 9 -6.946 6.177 -0.258 51 3HB ALA 9 3HB ALA 9 -6.808 4.942 0.994 52 H ILE 10 H ILE 10 -4.871 3.285 0.679 53 HA ILE 10 HA ILE 10 -2.598 4.806 -0.113 54 HB ILE 10 HB ILE 10 -2.823 2.380 1.672 55 1HG1 ILE 10 2HG1 ILE 10 -2.515 5.335 2.257 56 2HG1 ILE 10 1HG1 ILE 10 -3.966 4.372 2.512 57 1HG2 ILE 10 1HG2 ILE 10 -0.449 4.195 1.245 58 2HG2 ILE 10 2HG2 ILE 10 -0.576 2.515 0.721 59 3HG2 ILE 10 3HG2 ILE 10 -0.563 2.902 2.442 60 1HD1 ILE 10 1HD1 ILE 10 -2.784 3.055 4.198 61 2HD1 ILE 10 2HD1 ILE 10 -2.812 4.773 4.597 62 3HD1 ILE 10 3HD1 ILE 10 -1.344 4.042 3.949 63 H LEU 11 H LEU 11 -3.689 1.487 -0.744 64 HA LEU 11 HA LEU 11 -1.453 0.522 -2.095 65 1HB LEU 11 2HB LEU 11 -4.333 -0.114 -2.076 66 2HB LEU 11 1HB LEU 11 -3.454 -0.631 -3.500 67 HG LEU 11 HG LEU 11 -2.708 -1.376 -0.678 68 1HD1 LEU 11 1HD1 LEU 11 -4.115 -2.969 -2.810 69 2HD1 LEU 11 2HD1 LEU 11 -4.840 -2.369 -1.319 70 3HD1 LEU 11 3HD1 LEU 11 -3.569 -3.590 -1.253 71 1HD2 LEU 11 1HD2 LEU 11 -0.812 -1.346 -2.208 72 2HD2 LEU 11 2HD2 LEU 11 -1.705 -2.360 -3.340 73 3HD2 LEU 11 3HD2 LEU 11 -1.242 -2.998 -1.765 74 H LYS 12 H LYS 12 -4.212 2.356 -3.347 75 HA LYS 12 HA LYS 12 -3.436 2.352 -6.051 76 1HB LYS 12 2HB LYS 12 -5.685 3.007 -5.225 77 2HB LYS 12 1HB LYS 12 -4.988 4.485 -4.574 78 1HG LYS 12 2HG LYS 12 -4.142 4.708 -7.092 79 2HG LYS 12 1HG LYS 12 -5.595 3.745 -7.371 80 1HD LYS 12 2HD LYS 12 -6.125 6.097 -7.539 81 2HD LYS 12 1HD LYS 12 -6.903 5.414 -6.110 82 1HE LYS 12 2HE LYS 12 -5.871 7.623 -5.685 83 2HE LYS 12 1HE LYS 12 -5.190 6.341 -4.681 84 1HZ LYS 12 1HZ LYS 12 -3.484 7.825 -5.616 85 2HZ LYS 12 2HZ LYS 12 -3.947 7.369 -7.189 86 3HZ LYS 12 3HZ LYS 12 -3.290 6.224 -6.134 87 H GLU 13 H GLU 13 -2.676 4.533 -3.373 88 HA GLU 13 HA GLU 13 -1.287 6.475 -4.882 89 1HB GLU 13 2HB GLU 13 -1.878 6.008 -2.141 90 2HB GLU 13 1HB GLU 13 -0.143 6.249 -2.274 91 1HG GLU 13 2HG GLU 13 -1.187 8.352 -1.838 92 2HG GLU 13 1HG GLU 13 -0.559 8.356 -3.485 93 H ILE 14 H ILE 14 -0.278 3.487 -3.310 94 HA ILE 14 HA ILE 14 2.491 3.730 -3.839 95 HB ILE 14 HB ILE 14 0.792 1.248 -3.490 96 1HG1 ILE 14 2HG1 ILE 14 2.581 2.718 -1.537 97 2HG1 ILE 14 1HG1 ILE 14 0.822 2.776 -1.545 98 1HG2 ILE 14 1HG2 ILE 14 3.794 1.532 -3.444 99 2HG2 ILE 14 2HG2 ILE 14 2.840 0.690 -4.666 100 3HG2 ILE 14 3HG2 ILE 14 2.896 0.078 -3.013 101 1HD1 ILE 14 1HD1 ILE 14 0.760 0.367 -1.078 102 2HD1 ILE 14 2HD1 ILE 14 1.615 1.274 0.169 103 3HD1 ILE 14 3HD1 ILE 14 2.523 0.348 -1.026 104 H PHE 15 H PHE 15 -0.190 2.306 -5.629 105 HA PHE 15 HA PHE 15 1.249 0.992 -7.616 106 1HB PHE 15 2HB PHE 15 -1.134 0.624 -7.193 107 2HB PHE 15 1HB PHE 15 -1.501 2.237 -7.792 108 HD1 PHE 15 HD1 PHE 15 -0.236 -1.092 -8.764 109 HD2 PHE 15 HD2 PHE 15 -1.750 2.654 -10.106 110 HE1 PHE 15 HE1 PHE 15 -0.482 -2.007 -11.036 111 HE2 PHE 15 HE2 PHE 15 -1.996 1.745 -12.377 112 HZ PHE 15 HZ PHE 15 -1.362 -0.591 -12.843 113 H GLU 16 H GLU 16 -0.140 4.292 -7.715 114 HA GLU 16 HA GLU 16 1.174 4.666 -10.302 115 1HB GLU 16 2HB GLU 16 -0.183 6.650 -10.567 116 2HB GLU 16 1HB GLU 16 -1.199 5.289 -10.121 117 1HG GLU 16 2HG GLU 16 -1.340 6.102 -7.846 118 2HG GLU 16 1HG GLU 16 -0.243 7.429 -8.232 119 H GLY 17 H GLY 17 1.587 5.480 -7.011 120 1HA GLY 17 2HA GLY 17 3.070 7.895 -7.388 121 2HA GLY 17 1HA GLY 17 2.996 6.936 -5.917 122 H ASN 18 H ASN 18 3.853 4.510 -7.345 123 HA ASN 18 HA ASN 18 5.675 3.397 -8.118 124 1HB ASN 18 2HB ASN 18 5.860 5.259 -9.780 125 2HB ASN 18 1HB ASN 18 6.927 6.100 -8.665 126 1HD2 ASN 18 1HD2 ASN 18 6.960 2.634 -9.118 127 2HD2 ASN 18 2HD2 ASN 18 8.514 2.562 -9.866 128 H THR 19 H THR 19 5.554 5.319 -5.502 129 HA THR 19 HA THR 19 6.556 5.453 -3.507 130 HB THR 19 HB THR 19 7.913 3.540 -2.688 131 HG1 THR 19 HG1 THR 19 8.195 3.024 -5.296 132 1HG2 THR 19 1HG2 THR 19 5.478 3.562 -2.483 133 2HG2 THR 19 2HG2 THR 19 6.087 1.924 -2.725 134 3HG2 THR 19 3HG2 THR 19 5.335 2.791 -4.065 135 HA PRO 20 HA PRO 20 7.899 5.090 -1.671 136 1HB PRO 20 2HB PRO 20 9.232 7.189 -0.259 137 2HB PRO 20 1HB PRO 20 9.563 5.459 -0.192 138 1HG PRO 20 2HG PRO 20 11.271 7.361 -1.238 139 2HG PRO 20 1HG PRO 20 11.329 5.630 -1.609 140 1HD PRO 20 2HD PRO 20 10.165 7.878 -3.195 141 2HD PRO 20 1HD PRO 20 11.019 6.422 -3.753 142 H LEU 21 H LEU 21 6.492 6.243 -0.123 143 HA LEU 21 HA LEU 21 5.768 8.968 -0.869 144 1HB LEU 21 2HB LEU 21 3.391 8.501 -0.867 145 2HB LEU 21 1HB LEU 21 4.194 7.542 -2.093 146 HG LEU 21 HG LEU 21 3.595 6.331 0.587 147 1HD1 LEU 21 1HD1 LEU 21 1.678 6.522 -1.735 148 2HD1 LEU 21 2HD1 LEU 21 1.496 7.344 -0.186 149 3HD1 LEU 21 3HD1 LEU 21 1.436 5.582 -0.264 150 1HD2 LEU 21 1HD2 LEU 21 5.016 5.097 -0.966 151 2HD2 LEU 21 2HD2 LEU 21 3.777 5.228 -2.215 152 3HD2 LEU 21 3HD2 LEU 21 3.462 4.287 -0.757 153 H SER 22 H SER 22 4.824 10.159 0.793 154 HA SER 22 HA SER 22 5.475 9.199 3.449 155 1HB SER 22 2HB SER 22 6.075 11.467 2.946 156 2HB SER 22 1HB SER 22 4.436 11.835 2.434 157 HG SER 22 HG SER 22 5.187 11.110 5.077 158 H GLU 23 H GLU 23 3.963 9.693 5.199 159 HA GLU 23 HA GLU 23 1.412 8.457 4.631 160 1HB GLU 23 2HB GLU 23 1.472 9.407 7.317 161 2HB GLU 23 1HB GLU 23 1.530 7.751 6.747 162 1HG GLU 23 2HG GLU 23 3.384 8.115 8.186 163 2HG GLU 23 1HG GLU 23 3.993 7.965 6.540 164 H ASN 24 H ASN 24 2.582 11.539 5.903 165 HA ASN 24 HA ASN 24 0.028 12.758 6.070 166 1HB ASN 24 2HB ASN 24 2.042 13.609 7.262 167 2HB ASN 24 1HB ASN 24 2.722 14.096 5.713 168 1HD2 ASN 24 1HD2 ASN 24 -0.657 14.360 6.689 169 2HD2 ASN 24 2HD2 ASN 24 -0.716 16.089 6.642 170 H ASP 25 H ASP 25 2.289 12.215 3.529 171 HA ASP 25 HA ASP 25 1.335 14.218 1.736 172 1HB ASP 25 2HB ASP 25 3.626 13.084 1.717 173 2HB ASP 25 1HB ASP 25 2.825 11.715 0.955 174 H ILE 26 H ILE 26 0.720 10.729 2.130 175 HA ILE 26 HA ILE 26 -1.142 10.652 -0.044 176 HB ILE 26 HB ILE 26 0.048 8.622 0.642 177 1HG1 ILE 26 2HG1 ILE 26 -2.369 8.623 -0.359 178 2HG1 ILE 26 1HG1 ILE 26 -1.662 7.120 0.212 179 1HG2 ILE 26 1HG2 ILE 26 -0.601 7.404 2.683 180 2HG2 ILE 26 2HG2 ILE 26 -1.543 8.808 3.187 181 3HG2 ILE 26 3HG2 ILE 26 0.207 8.937 3.007 182 1HD1 ILE 26 1HD1 ILE 26 -2.928 7.343 2.304 183 2HD1 ILE 26 2HD1 ILE 26 -3.976 7.294 0.885 184 3HD1 ILE 26 3HD1 ILE 26 -3.652 8.830 1.690 185 H GLY 27 H GLY 27 -1.367 11.207 3.432 186 1HA GLY 27 2HA GLY 27 -3.138 12.936 3.872 187 2HA GLY 27 1HA GLY 27 -4.221 11.858 3.011 188 H VAL 28 H VAL 28 -1.873 10.414 5.116 189 HA VAL 28 HA VAL 28 -3.930 10.095 7.197 190 HB VAL 28 HB VAL 28 -3.293 7.737 7.500 191 1HG1 VAL 28 1HG1 VAL 28 -5.214 8.205 6.118 192 2HG1 VAL 28 2HG1 VAL 28 -4.328 6.836 5.446 193 3HG1 VAL 28 3HG1 VAL 28 -4.183 8.430 4.704 194 1HG2 VAL 28 1HG2 VAL 28 -1.011 7.864 6.630 195 2HG2 VAL 28 2HG2 VAL 28 -1.644 8.109 5.003 196 3HG2 VAL 28 3HG2 VAL 28 -1.931 6.584 5.839 197 H THR 29 H THR 29 -2.860 9.014 9.219 198 HA THR 29 HA THR 29 -0.476 10.541 9.857 199 HB THR 29 HB THR 29 -0.737 9.576 12.135 200 HG1 THR 29 HG1 THR 29 -3.239 8.607 11.825 201 1HG2 THR 29 1HG2 THR 29 -2.803 10.753 12.705 202 2HG2 THR 29 2HG2 THR 29 -3.268 10.781 11.002 203 3HG2 THR 29 3HG2 THR 29 -1.851 11.681 11.545 204 H GLU 30 H GLU 30 1.231 9.283 11.215 205 HA GLU 30 HA GLU 30 2.589 7.549 9.496 206 1HB GLU 30 2HB GLU 30 3.009 7.425 12.460 207 2HB GLU 30 1HB GLU 30 4.199 7.333 11.171 208 1HG GLU 30 2HG GLU 30 3.842 9.721 10.712 209 2HG GLU 30 1HG GLU 30 2.711 9.782 12.065 210 H ASP 31 H ASP 31 0.803 6.849 12.470 211 HA ASP 31 HA ASP 31 1.291 4.073 12.429 212 1HB ASP 31 2HB ASP 31 -0.569 5.854 13.951 213 2HB ASP 31 1HB ASP 31 -0.723 4.101 14.087 214 H GLN 32 H GLN 32 -1.256 6.018 11.018 215 HA GLN 32 HA GLN 32 -3.003 3.856 10.391 216 1HB GLN 32 2HB GLN 32 -2.695 6.631 9.249 217 2HB GLN 32 1HB GLN 32 -3.891 5.494 8.640 218 1HG GLN 32 2HG GLN 32 -4.977 5.413 10.782 219 2HG GLN 32 1HG GLN 32 -3.716 6.416 11.498 220 1HE2 GLN 32 1HE2 GLN 32 -6.599 6.849 11.330 221 2HE2 GLN 32 2HE2 GLN 32 -6.802 8.366 10.515 222 H PHE 33 H PHE 33 -0.516 5.580 8.550 223 HA PHE 33 HA PHE 33 -0.667 4.050 6.187 224 1HB PHE 33 2HB PHE 33 0.489 6.245 6.438 225 2HB PHE 33 1HB PHE 33 1.739 5.448 7.381 226 HD1 PHE 33 HD1 PHE 33 0.217 5.704 4.032 227 HD2 PHE 33 HD2 PHE 33 3.511 4.283 6.328 228 HE1 PHE 33 HE1 PHE 33 1.467 5.269 1.961 229 HE2 PHE 33 HE2 PHE 33 4.765 3.843 4.255 230 HZ PHE 33 HZ PHE 33 3.742 4.338 2.069 231 H ASP 34 H ASP 34 1.345 3.789 9.063 232 HA ASP 34 HA ASP 34 2.907 1.592 8.445 233 1HB ASP 34 2HB ASP 34 3.361 2.884 10.394 234 2HB ASP 34 1HB ASP 34 1.762 2.575 11.055 235 H ASP 35 H ASP 35 -0.228 1.581 10.158 236 HA ASP 35 HA ASP 35 -0.397 -1.208 10.441 237 1HB ASP 35 2HB ASP 35 -1.797 0.419 11.694 238 2HB ASP 35 1HB ASP 35 -2.690 0.752 10.214 239 H ALA 36 H ALA 36 -1.506 0.954 7.884 240 HA ALA 36 HA ALA 36 -2.964 -0.922 6.395 241 1HB ALA 36 1HB ALA 36 -3.093 1.502 6.037 242 2HB ALA 36 2HB ALA 36 -2.764 0.628 4.542 243 3HB ALA 36 3HB ALA 36 -1.461 1.483 5.369 244 H VAL 37 H VAL 37 0.415 0.154 6.035 245 HA VAL 37 HA VAL 37 1.059 -1.530 3.885 246 HB VAL 37 HB VAL 37 2.857 -0.393 6.033 247 1HG1 VAL 37 1HG1 VAL 37 3.906 -2.325 4.943 248 2HG1 VAL 37 2HG1 VAL 37 4.713 -0.816 4.509 249 3HG1 VAL 37 3HG1 VAL 37 3.613 -1.588 3.367 250 1HG2 VAL 37 1HG2 VAL 37 1.696 1.305 4.738 251 2HG2 VAL 37 2HG2 VAL 37 2.226 0.545 3.236 252 3HG2 VAL 37 3HG2 VAL 37 3.410 1.277 4.319 253 H ASN 38 H ASN 38 1.385 -2.029 7.387 254 HA ASN 38 HA ASN 38 2.666 -4.532 7.249 255 1HB ASN 38 2HB ASN 38 0.964 -3.250 9.382 256 2HB ASN 38 1HB ASN 38 1.696 -4.839 9.593 257 1HD2 ASN 38 1HD2 ASN 38 2.145 -2.311 11.012 258 2HD2 ASN 38 2HD2 ASN 38 3.841 -2.002 10.883 259 H PHE 39 H PHE 39 -0.763 -3.685 7.489 260 HA PHE 39 HA PHE 39 -1.743 -6.325 7.631 261 1HB PHE 39 2HB PHE 39 -3.106 -4.402 8.261 262 2HB PHE 39 1HB PHE 39 -3.075 -3.807 6.605 263 HD1 PHE 39 HD1 PHE 39 -4.204 -6.664 8.686 264 HD2 PHE 39 HD2 PHE 39 -4.719 -4.451 5.090 265 HE1 PHE 39 HE1 PHE 39 -6.253 -7.935 8.205 266 HE2 PHE 39 HE2 PHE 39 -6.772 -5.720 4.598 267 HZ PHE 39 HZ PHE 39 -7.539 -7.465 6.161 268 H LEU 40 H LEU 40 -1.286 -4.130 4.871 269 HA LEU 40 HA LEU 40 -2.351 -5.864 2.920 270 1HB LEU 40 2HB LEU 40 -0.293 -3.674 2.618 271 2HB LEU 40 1HB LEU 40 -1.159 -4.435 1.297 272 HG LEU 40 HG LEU 40 -2.445 -2.817 3.502 273 1HD1 LEU 40 1HD1 LEU 40 -2.782 -1.116 1.794 274 2HD1 LEU 40 2HD1 LEU 40 -1.907 -2.102 0.622 275 3HD1 LEU 40 3HD1 LEU 40 -1.064 -1.442 2.026 276 1HD2 LEU 40 1HD2 LEU 40 -3.916 -4.546 2.581 277 2HD2 LEU 40 2HD2 LEU 40 -3.602 -3.944 0.954 278 3HD2 LEU 40 3HD2 LEU 40 -4.449 -2.929 2.121 279 H LYS 41 H LYS 41 0.870 -5.494 4.264 280 HA LYS 41 HA LYS 41 2.213 -7.224 2.477 281 1HB LYS 41 2HB LYS 41 3.409 -5.654 3.915 282 2HB LYS 41 1HB LYS 41 2.847 -6.506 5.347 283 1HG LYS 41 2HG LYS 41 4.077 -8.517 4.552 284 2HG LYS 41 1HG LYS 41 4.737 -7.531 3.244 285 1HD LYS 41 2HD LYS 41 5.779 -6.045 4.854 286 2HD LYS 41 1HD LYS 41 5.067 -6.958 6.187 287 1HE LYS 41 2HE LYS 41 7.033 -8.030 4.168 288 2HE LYS 41 1HE LYS 41 7.419 -7.550 5.819 289 1HZ LYS 41 1HZ LYS 41 5.556 -9.731 5.050 290 2HZ LYS 41 2HZ LYS 41 5.949 -9.277 6.636 291 3HZ LYS 41 3HZ LYS 41 7.134 -9.942 5.626 292 H ARG 42 H ARG 42 0.529 -7.748 5.529 293 HA ARG 42 HA ARG 42 1.400 -10.415 5.922 294 1HB ARG 42 2HB ARG 42 0.410 -8.836 7.658 295 2HB ARG 42 1HB ARG 42 -1.164 -9.224 6.976 296 1HG ARG 42 2HG ARG 42 -0.656 -11.639 7.445 297 2HG ARG 42 1HG ARG 42 0.757 -11.088 8.343 298 1HD ARG 42 2HD ARG 42 -0.973 -11.418 9.930 299 2HD ARG 42 1HD ARG 42 -0.808 -9.675 9.723 300 HE ARG 42 HE ARG 42 -2.758 -10.517 7.930 301 1HH1 ARG 42 1HH1 ARG 42 -2.308 -10.454 11.409 302 2HH1 ARG 42 2HH1 ARG 42 -4.010 -10.352 11.748 303 1HH2 ARG 42 1HH2 ARG 42 -4.968 -10.413 8.373 304 2HH2 ARG 42 2HH2 ARG 42 -5.531 -10.358 10.017 305 H GLU 43 H GLU 43 -1.585 -9.042 4.561 306 HA GLU 43 HA GLU 43 -2.769 -11.612 4.131 307 1HB GLU 43 2HB GLU 43 -3.561 -8.940 2.962 308 2HB GLU 43 1HB GLU 43 -4.551 -10.393 3.000 309 1HG GLU 43 2HG GLU 43 -3.635 -8.762 5.357 310 2HG GLU 43 1HG GLU 43 -5.273 -8.885 4.719 311 H GLY 44 H GLY 44 -0.665 -9.562 2.308 312 1HA GLY 44 2HA GLY 44 0.673 -10.492 0.572 313 2HA GLY 44 1HA GLY 44 -0.618 -11.630 0.229 314 H TYR 45 H TYR 45 -0.706 -8.089 0.530 315 HA TYR 45 HA TYR 45 -1.844 -7.974 -2.171 316 1HB TYR 45 2HB TYR 45 -1.759 -5.940 0.061 317 2HB TYR 45 1HB TYR 45 -2.359 -5.580 -1.555 318 HD1 TYR 45 HD1 TYR 45 -3.149 -6.952 1.664 319 HD2 TYR 45 HD2 TYR 45 -4.346 -6.905 -2.419 320 HE1 TYR 45 HE1 TYR 45 -5.372 -7.776 2.314 321 HE2 TYR 45 HE2 TYR 45 -6.574 -7.729 -1.781 322 HH TYR 45 HH TYR 45 -7.655 -7.793 1.456 323 H ILE 46 H ILE 46 0.849 -6.827 -0.240 324 HA ILE 46 HA ILE 46 2.287 -6.253 -2.704 325 HB ILE 46 HB ILE 46 3.307 -4.209 -1.464 326 1HG1 ILE 46 2HG1 ILE 46 1.417 -2.972 -0.227 327 2HG1 ILE 46 1HG1 ILE 46 0.673 -4.554 -0.040 328 1HG2 ILE 46 1HG2 ILE 46 2.135 -4.078 -3.572 329 2HG2 ILE 46 2HG2 ILE 46 1.688 -2.725 -2.532 330 3HG2 ILE 46 3HG2 ILE 46 0.584 -4.086 -2.732 331 1HD1 ILE 46 1HD1 ILE 46 1.907 -3.941 1.944 332 2HD1 ILE 46 2HD1 ILE 46 3.375 -3.722 0.991 333 3HD1 ILE 46 3HD1 ILE 46 2.664 -5.328 1.157 334 H ILE 47 H ILE 47 4.577 -6.230 -2.462 335 HA ILE 47 HA ILE 47 5.584 -7.364 0.059 336 HB ILE 47 HB ILE 47 7.122 -8.814 -1.240 337 1HG1 ILE 47 2HG1 ILE 47 5.390 -8.053 -3.599 338 2HG1 ILE 47 1HG1 ILE 47 7.050 -7.522 -3.354 339 1HG2 ILE 47 1HG2 ILE 47 5.471 -10.521 -1.828 340 2HG2 ILE 47 2HG2 ILE 47 4.196 -9.304 -1.767 341 3HG2 ILE 47 3HG2 ILE 47 5.074 -9.734 -0.299 342 1HD1 ILE 47 1HD1 ILE 47 6.917 -9.349 -4.952 343 2HD1 ILE 47 2HD1 ILE 47 6.150 -10.370 -3.732 344 3HD1 ILE 47 3HD1 ILE 47 7.815 -9.827 -3.511 345 H GLY 48 H GLY 48 8.087 -7.259 0.050 346 1HA GLY 48 2HA GLY 48 10.068 -6.119 -0.561 347 2HA GLY 48 1HA GLY 48 9.105 -4.984 -1.496 348 H VAL 49 H VAL 49 7.856 -5.686 1.565 349 HA VAL 49 HA VAL 49 8.295 -2.988 2.453 350 HB VAL 49 HB VAL 49 6.960 -5.328 3.826 351 1HG1 VAL 49 1HG1 VAL 49 7.769 -3.732 5.474 352 2HG1 VAL 49 2HG1 VAL 49 6.011 -3.665 5.358 353 3HG1 VAL 49 3HG1 VAL 49 6.993 -2.412 4.600 354 1HG2 VAL 49 1HG2 VAL 49 5.812 -4.604 1.801 355 2HG2 VAL 49 2HG2 VAL 49 5.800 -2.941 2.390 356 3HG2 VAL 49 3HG2 VAL 49 4.879 -4.182 3.236 357 H HIS 50 H HIS 50 10.114 -2.377 3.388 358 HA HIS 50 HA HIS 50 11.636 -4.365 4.929 359 1HB HIS 50 2HB HIS 50 12.564 -1.885 3.471 360 2HB HIS 50 1HB HIS 50 13.593 -2.835 4.536 361 HD1 HIS 50 HD1 HIS 50 12.404 -2.640 1.089 362 HD2 HIS 50 HD2 HIS 50 14.045 -5.541 3.565 363 HE1 HIS 50 HE1 HIS 50 13.195 -4.463 -0.445 364 HE2 HIS 50 HE2 HIS 50 13.991 -6.294 1.090 365 H TYR 51 H TYR 51 11.942 -4.060 7.020 366 HA TYR 51 HA TYR 51 10.981 -1.587 8.240 367 1HB TYR 51 2HB TYR 51 11.965 -4.170 9.485 368 2HB TYR 51 1HB TYR 51 11.324 -2.798 10.384 369 HD1 TYR 51 HD1 TYR 51 10.506 -5.646 8.253 370 HD2 TYR 51 HD2 TYR 51 8.949 -2.267 10.309 371 HE1 TYR 51 HE1 TYR 51 8.232 -6.550 8.002 372 HE2 TYR 51 HE2 TYR 51 6.673 -3.160 10.069 373 HH TYR 51 HH TYR 51 5.434 -4.687 8.654 374 H SER 52 H SER 52 12.329 -0.204 9.475 375 HA SER 52 HA SER 52 15.207 -0.677 8.993 376 1HB SER 52 2HB SER 52 14.321 1.053 7.469 377 2HB SER 52 1HB SER 52 13.744 1.977 8.850 378 HG SER 52 HG SER 52 16.365 1.403 9.150 379 H ASP 53 H ASP 53 13.858 2.084 10.624 380 HA ASP 53 HA ASP 53 15.236 1.754 13.033 381 1HB ASP 53 2HB ASP 53 13.216 3.271 13.851 382 2HB ASP 53 1HB ASP 53 14.443 3.909 12.764 383 H ASP 54 H ASP 54 11.922 1.064 12.188 384 HA ASP 54 HA ASP 54 11.668 -1.247 13.821 385 1HB ASP 54 2HB ASP 54 11.574 0.330 15.655 386 2HB ASP 54 1HB ASP 54 10.383 1.311 14.807 387 H ARG 55 H ARG 55 10.232 1.310 11.910 388 HA ARG 55 HA ARG 55 7.824 -0.311 11.493 389 1HB ARG 55 2HB ARG 55 8.191 2.618 10.836 390 2HB ARG 55 1HB ARG 55 6.679 1.728 10.970 391 1HG ARG 55 2HG ARG 55 7.350 1.351 13.420 392 2HG ARG 55 1HG ARG 55 8.520 2.639 13.149 393 1HD ARG 55 2HD ARG 55 6.657 3.734 14.026 394 2HD ARG 55 1HD ARG 55 6.534 4.002 12.287 395 HE ARG 55 HE ARG 55 5.015 1.873 12.484 396 1HH1 ARG 55 1HH1 ARG 55 5.162 4.656 14.622 397 2HH1 ARG 55 2HH1 ARG 55 3.521 4.490 15.156 398 1HH2 ARG 55 1HH2 ARG 55 2.852 1.634 13.239 399 2HH2 ARG 55 2HH2 ARG 55 2.226 2.774 14.404 400 HA PRO 56 HA PRO 56 8.748 -1.012 7.221 401 1HB PRO 56 2HB PRO 56 6.450 -0.216 5.942 402 2HB PRO 56 1HB PRO 56 6.641 -1.763 6.773 403 1HG PRO 56 2HG PRO 56 5.368 0.765 7.741 404 2HG PRO 56 1HG PRO 56 4.820 -0.912 7.935 405 1HD PRO 56 2HD PRO 56 6.040 0.395 9.929 406 2HD PRO 56 1HD PRO 56 6.323 -1.337 9.647 407 H HIS 57 H HIS 57 9.903 0.064 5.769 408 HA HIS 57 HA HIS 57 9.227 2.876 5.232 409 1HB HIS 57 2HB HIS 57 11.937 1.658 5.721 410 2HB HIS 57 1HB HIS 57 11.755 3.149 4.807 411 HD1 HIS 57 HD1 HIS 57 11.298 5.283 6.109 412 HD2 HIS 57 HD2 HIS 57 11.239 1.871 8.485 413 HE1 HIS 57 HE1 HIS 57 11.184 6.105 8.485 414 HE2 HIS 57 HE2 HIS 57 11.430 4.033 9.895 415 H LEU 58 H LEU 58 9.080 3.423 3.153 416 HA LEU 58 HA LEU 58 9.438 1.271 1.202 417 1HB LEU 58 2HB LEU 58 7.910 3.867 1.002 418 2HB LEU 58 1HB LEU 58 8.004 2.649 -0.259 419 HG LEU 58 HG LEU 58 6.749 2.282 2.464 420 1HD1 LEU 58 1HD1 LEU 58 5.528 2.503 -0.282 421 2HD1 LEU 58 2HD1 LEU 58 5.422 3.696 1.011 422 3HD1 LEU 58 3HD1 LEU 58 4.655 2.120 1.201 423 1HD2 LEU 58 1HD2 LEU 58 6.905 0.381 0.128 424 2HD2 LEU 58 2HD2 LEU 58 6.016 0.112 1.627 425 3HD2 LEU 58 3HD2 LEU 58 7.776 0.219 1.651 426 H TYR 59 H TYR 59 10.744 1.440 -0.531 427 HA TYR 59 HA TYR 59 12.484 3.805 -0.629 428 1HB TYR 59 2HB TYR 59 13.052 0.969 -1.527 429 2HB TYR 59 1HB TYR 59 14.172 2.321 -1.657 430 HD1 TYR 59 HD1 TYR 59 13.029 -0.348 0.402 431 HD2 TYR 59 HD2 TYR 59 14.839 3.498 0.535 432 HE1 TYR 59 HE1 TYR 59 13.848 -0.821 2.669 433 HE2 TYR 59 HE2 TYR 59 15.668 3.037 2.805 434 HH TYR 59 HH TYR 59 15.704 -0.038 4.164 435 H LYS 60 H LYS 60 13.587 3.573 -3.095 436 HA LYS 60 HA LYS 60 11.342 4.401 -4.728 437 1HB LYS 60 2HB LYS 60 14.281 4.347 -5.445 438 2HB LYS 60 1HB LYS 60 13.009 5.248 -6.259 439 1HG LYS 60 2HG LYS 60 12.680 6.584 -4.215 440 2HG LYS 60 1HG LYS 60 14.017 5.713 -3.461 441 1HD LYS 60 2HD LYS 60 15.493 6.512 -5.297 442 2HD LYS 60 1HD LYS 60 14.149 7.488 -5.897 443 1HE LYS 60 2HE LYS 60 15.563 8.889 -4.563 444 2HE LYS 60 1HE LYS 60 14.063 8.616 -3.679 445 1HZ LYS 60 1HZ LYS 60 15.938 8.403 -2.207 446 2HZ LYS 60 2HZ LYS 60 16.656 7.246 -3.213 447 3HZ LYS 60 3HZ LYS 60 15.216 6.881 -2.398 448 H LEU 61 H LEU 61 12.866 1.556 -4.105 449 HA LEU 61 HA LEU 61 11.580 0.239 -6.316 450 1HB LEU 61 2HB LEU 61 13.913 0.966 -7.106 451 2HB LEU 61 1HB LEU 61 14.544 -0.198 -5.959 452 HG LEU 61 HG LEU 61 12.632 -0.996 -8.147 453 1HD1 LEU 61 1HD1 LEU 61 14.534 0.054 -9.214 454 2HD1 LEU 61 2HD1 LEU 61 14.603 -1.694 -9.438 455 3HD1 LEU 61 3HD1 LEU 61 15.643 -0.915 -8.245 456 1HD2 LEU 61 1HD2 LEU 61 14.660 -2.553 -6.538 457 2HD2 LEU 61 2HD2 LEU 61 13.618 -3.207 -7.802 458 3HD2 LEU 61 3HD2 LEU 61 12.910 -2.588 -6.310 459 H GLY 62 H GLY 62 10.628 -1.486 -5.420 460 1HA GLY 62 2HA GLY 62 11.661 -3.513 -3.973 461 2HA GLY 62 1HA GLY 62 11.436 -2.274 -2.748 462 HA PRO 63 HA PRO 63 7.101 -3.086 -2.344 463 1HB PRO 63 2HB PRO 63 6.218 -0.577 -3.635 464 2HB PRO 63 1HB PRO 63 5.927 -1.161 -1.995 465 1HG PRO 63 2HG PRO 63 7.627 0.845 -2.463 466 2HG PRO 63 1HG PRO 63 7.953 -0.365 -1.208 467 1HD PRO 63 2HD PRO 63 9.111 -0.126 -3.955 468 2HD PRO 63 1HD PRO 63 9.908 -0.556 -2.427 469 H GLU 64 H GLU 64 6.585 -4.736 -3.664 470 HA GLU 64 HA GLU 64 5.767 -4.131 -6.435 471 1HB GLU 64 2HB GLU 64 6.340 -6.860 -5.275 472 2HB GLU 64 1HB GLU 64 6.225 -6.415 -6.970 473 1HG GLU 64 2HG GLU 64 8.361 -5.302 -5.190 474 2HG GLU 64 1HG GLU 64 8.539 -6.859 -5.993 475 H LEU 65 H LEU 65 3.667 -4.633 -7.057 476 HA LEU 65 HA LEU 65 1.847 -5.429 -4.935 477 1HB LEU 65 2HB LEU 65 1.448 -4.364 -7.708 478 2HB LEU 65 1HB LEU 65 0.124 -5.149 -6.867 479 HG LEU 65 HG LEU 65 0.694 -3.434 -4.966 480 1HD1 LEU 65 1HD1 LEU 65 2.729 -2.585 -6.033 481 2HD1 LEU 65 2HD1 LEU 65 1.534 -1.314 -5.770 482 3HD1 LEU 65 3HD1 LEU 65 1.763 -1.991 -7.383 483 1HD2 LEU 65 1HD2 LEU 65 -0.923 -1.880 -5.908 484 2HD2 LEU 65 2HD2 LEU 65 -1.412 -3.549 -6.204 485 3HD2 LEU 65 3HD2 LEU 65 -0.700 -2.597 -7.507 486 H THR 66 H THR 66 0.629 -7.269 -4.908 487 HA THR 66 HA THR 66 1.565 -9.466 -6.567 488 HB THR 66 HB THR 66 0.131 -10.875 -5.163 489 HG1 THR 66 HG1 THR 66 -0.939 -9.713 -3.337 490 1HG2 THR 66 1HG2 THR 66 1.196 -10.481 -2.982 491 2HG2 THR 66 2HG2 THR 66 1.719 -8.885 -3.528 492 3HG2 THR 66 3HG2 THR 66 2.354 -10.336 -4.304 493 H GLU 67 H GLU 67 -0.236 -10.953 -7.473 494 HA GLU 67 HA GLU 67 -1.881 -9.484 -9.234 495 1HB GLU 67 2HB GLU 67 -1.247 -11.724 -9.840 496 2HB GLU 67 1HB GLU 67 -1.992 -12.384 -8.388 497 1HG GLU 67 2HG GLU 67 -4.172 -11.913 -9.188 498 2HG GLU 67 1HG GLU 67 -3.546 -10.945 -10.519 499 H LYS 68 H LYS 68 -2.452 -10.983 -6.111 500 HA LYS 68 HA LYS 68 -5.234 -10.607 -5.994 501 1HB LYS 68 2HB LYS 68 -3.872 -12.052 -4.474 502 2HB LYS 68 1HB LYS 68 -3.285 -10.596 -3.689 503 1HG LYS 68 2HG LYS 68 -5.378 -10.092 -2.785 504 2HG LYS 68 1HG LYS 68 -6.215 -11.192 -3.884 505 1HD LYS 68 2HD LYS 68 -6.066 -12.099 -1.607 506 2HD LYS 68 1HD LYS 68 -5.207 -13.102 -2.775 507 1HE LYS 68 2HE LYS 68 -3.102 -11.920 -2.103 508 2HE LYS 68 1HE LYS 68 -4.021 -11.149 -0.812 509 1HZ LYS 68 1HZ LYS 68 -3.667 -14.079 -1.160 510 2HZ LYS 68 2HZ LYS 68 -4.514 -13.322 0.102 511 3HZ LYS 68 3HZ LYS 68 -2.840 -13.111 -0.041 512 H GLY 69 H GLY 69 -2.536 -8.557 -4.922 513 1HA GLY 69 2HA GLY 69 -4.147 -6.465 -3.884 514 2HA GLY 69 1HA GLY 69 -2.462 -6.325 -4.366 515 H GLU 70 H GLU 70 -2.658 -6.997 -7.046 516 HA GLU 70 HA GLU 70 -3.442 -4.574 -8.241 517 1HB GLU 70 2HB GLU 70 -1.726 -6.088 -9.157 518 2HB GLU 70 1HB GLU 70 -2.970 -7.283 -9.499 519 1HG GLU 70 2HG GLU 70 -2.458 -6.186 -11.527 520 2HG GLU 70 1HG GLU 70 -4.040 -5.619 -11.002 521 H ASN 71 H ASN 71 -4.979 -7.780 -8.203 522 HA ASN 71 HA ASN 71 -7.233 -7.111 -9.770 523 1HB ASN 71 2HB ASN 71 -6.668 -9.275 -7.761 524 2HB ASN 71 1HB ASN 71 -8.277 -9.095 -8.446 525 1HD2 ASN 71 1HD2 ASN 71 -5.434 -8.359 -10.310 526 2HD2 ASN 71 2HD2 ASN 71 -5.535 -9.724 -11.368 527 H TYR 72 H TYR 72 -6.542 -6.825 -6.355 528 HA TYR 72 HA TYR 72 -9.132 -6.260 -5.433 529 1HB TYR 72 2HB TYR 72 -7.213 -6.838 -3.980 530 2HB TYR 72 1HB TYR 72 -6.488 -5.275 -4.338 531 HD1 TYR 72 HD1 TYR 72 -9.702 -6.686 -3.056 532 HD2 TYR 72 HD2 TYR 72 -6.812 -3.576 -2.814 533 HE1 TYR 72 HE1 TYR 72 -10.918 -5.711 -1.157 534 HE2 TYR 72 HE2 TYR 72 -8.021 -2.590 -0.912 535 HH TYR 72 HH TYR 72 -10.226 -2.589 0.073 536 H LEU 73 H LEU 73 -6.604 -4.213 -6.781 537 HA LEU 73 HA LEU 73 -7.816 -1.715 -6.301 538 1HB LEU 73 2HB LEU 73 -6.029 -2.511 -8.600 539 2HB LEU 73 1HB LEU 73 -6.377 -0.872 -8.089 540 HG LEU 73 HG LEU 73 -4.857 -2.933 -6.492 541 1HD1 LEU 73 1HD1 LEU 73 -2.950 -1.440 -6.868 542 2HD1 LEU 73 2HD1 LEU 73 -3.958 -0.426 -7.902 543 3HD1 LEU 73 3HD1 LEU 73 -3.589 -2.083 -8.382 544 1HD2 LEU 73 1HD2 LEU 73 -5.451 -0.043 -5.881 545 2HD2 LEU 73 2HD2 LEU 73 -4.430 -1.120 -4.933 546 3HD2 LEU 73 3HD2 LEU 73 -6.158 -1.436 -5.063 547 H LYS 74 H LYS 74 -8.274 -4.126 -8.790 548 HA LYS 74 HA LYS 74 -9.653 -2.455 -10.620 549 1HB LYS 74 2HB LYS 74 -10.007 -5.438 -10.378 550 2HB LYS 74 1HB LYS 74 -10.186 -4.443 -11.815 551 1HG LYS 74 2HG LYS 74 -7.623 -5.102 -10.383 552 2HG LYS 74 1HG LYS 74 -8.153 -5.719 -11.948 553 1HD LYS 74 2HD LYS 74 -8.056 -3.440 -12.864 554 2HD LYS 74 1HD LYS 74 -7.519 -2.841 -11.293 555 1HE LYS 74 2HE LYS 74 -5.543 -4.321 -11.447 556 2HE LYS 74 1HE LYS 74 -6.064 -4.800 -13.062 557 1HZ LYS 74 1HZ LYS 74 -5.891 -2.450 -13.728 558 2HZ LYS 74 2HZ LYS 74 -4.404 -3.092 -13.224 559 3HZ LYS 74 3HZ LYS 74 -5.276 -2.070 -12.190 560 H GLU 75 H GLU 75 -10.642 -4.438 -7.901 561 HA GLU 75 HA GLU 75 -13.458 -4.160 -8.518 562 1HB GLU 75 2HB GLU 75 -12.138 -5.370 -6.082 563 2HB GLU 75 1HB GLU 75 -13.825 -5.542 -6.545 564 1HG GLU 75 2HG GLU 75 -11.455 -6.574 -8.088 565 2HG GLU 75 1HG GLU 75 -12.543 -7.532 -7.086 566 H ASN 76 H ASN 76 -11.208 -3.017 -6.026 567 HA ASN 76 HA ASN 76 -13.311 -1.443 -4.751 568 1HB ASN 76 2HB ASN 76 -11.280 -2.793 -3.652 569 2HB ASN 76 1HB ASN 76 -10.466 -1.250 -3.885 570 1HD2 ASN 76 1HD2 ASN 76 -11.318 0.609 -2.820 571 2HD2 ASN 76 2HD2 ASN 76 -12.279 0.435 -1.394 572 H GLY 77 H GLY 77 -11.587 -1.023 -7.417 573 1HA GLY 77 2HA GLY 77 -10.298 1.447 -7.159 574 2HA GLY 77 1HA GLY 77 -10.890 0.762 -8.660 575 H THR 78 H THR 78 -13.652 0.794 -7.205 576 HA THR 78 HA THR 78 -14.451 3.336 -8.234 577 HB THR 78 HB THR 78 -15.998 1.512 -8.464 578 HG1 THR 78 HG1 THR 78 -16.667 3.780 -7.050 579 1HG2 THR 78 1HG2 THR 78 -16.070 1.359 -5.449 580 2HG2 THR 78 2HG2 THR 78 -15.333 0.174 -6.528 581 3HG2 THR 78 3HG2 THR 78 -17.079 0.426 -6.555 582 H TRP 79 H TRP 79 -12.789 4.357 -6.782 583 HA TRP 79 HA TRP 79 -14.217 5.507 -4.511 584 1HB TRP 79 2HB TRP 79 -12.619 3.658 -3.716 585 2HB TRP 79 1HB TRP 79 -11.309 4.705 -4.259 586 HD1 TRP 79 HD1 TRP 79 -11.998 7.473 -3.133 587 HE1 TRP 79 HE1 TRP 79 -12.212 7.927 -0.609 588 HE3 TRP 79 HE3 TRP 79 -12.808 2.691 -1.523 589 HZ2 TRP 79 HZ2 TRP 79 -12.670 6.442 1.751 590 HZ3 TRP 79 HZ3 TRP 79 -13.131 2.289 0.883 591 HH2 TRP 79 HH2 TRP 79 -13.056 4.129 2.486 592 H SER 80 H SER 80 -14.170 7.649 -4.696 593 HA SER 80 HA SER 80 -12.635 8.953 -6.695 594 1HB SER 80 2HB SER 80 -14.835 9.790 -5.979 595 2HB SER 80 1HB SER 80 -14.182 10.150 -4.380 596 HG SER 80 HG SER 80 -13.407 11.939 -5.145 597 H LYS 81 H LYS 81 -10.458 8.627 -6.344 598 HA LYS 81 HA LYS 81 -9.248 10.358 -4.363 599 1HB LYS 81 2HB LYS 81 -9.653 7.744 -3.640 600 2HB LYS 81 1HB LYS 81 -8.044 7.666 -4.341 601 1HG LYS 81 2HG LYS 81 -8.830 9.606 -2.180 602 2HG LYS 81 1HG LYS 81 -8.126 8.022 -1.866 603 1HD LYS 81 2HD LYS 81 -6.134 8.666 -3.155 604 2HD LYS 81 1HD LYS 81 -6.842 10.259 -3.436 605 1HE LYS 81 2HE LYS 81 -6.819 10.733 -1.065 606 2HE LYS 81 1HE LYS 81 -6.255 9.103 -0.708 607 1HZ LYS 81 1HZ LYS 81 -4.448 10.705 -0.634 608 2HZ LYS 81 2HZ LYS 81 -4.743 11.153 -2.240 609 3HZ LYS 81 3HZ LYS 81 -4.202 9.583 -1.885 610 H ALA 82 H ALA 82 -7.990 11.514 -5.663 611 HA ALA 82 HA ALA 82 -6.141 12.072 -6.832 612 1HB ALA 82 1HB ALA 82 -5.513 9.137 -6.971 613 2HB ALA 82 2HB ALA 82 -5.032 10.230 -5.674 614 3HB ALA 82 3HB ALA 82 -4.410 10.471 -7.306 Start of MODEL 2 1 H LYS 5 H LYS 5 -11.196 -0.422 1.402 2 HA LYS 5 HA LYS 5 -11.712 1.616 0.633 3 1HB LYS 5 2HB LYS 5 -11.972 2.217 3.569 4 2HB LYS 5 1HB LYS 5 -12.339 3.403 2.317 5 1HG LYS 5 2HG LYS 5 -14.024 1.956 1.382 6 2HG LYS 5 1HG LYS 5 -13.608 0.683 2.525 7 1HD LYS 5 2HD LYS 5 -14.327 2.124 4.375 8 2HD LYS 5 1HD LYS 5 -14.767 3.380 3.211 9 1HE LYS 5 2HE LYS 5 -16.726 2.091 3.887 10 2HE LYS 5 1HE LYS 5 -16.375 1.866 2.174 11 1HZ LYS 5 1HZ LYS 5 -15.086 -0.201 2.996 12 2HZ LYS 5 2HZ LYS 5 -16.776 -0.270 2.897 13 3HZ LYS 5 3HZ LYS 5 -16.030 -0.034 4.398 14 H LEU 6 H LEU 6 -9.829 2.714 3.465 15 HA LEU 6 HA LEU 6 -8.249 4.453 1.866 16 1HB LEU 6 2HB LEU 6 -7.917 3.411 4.672 17 2HB LEU 6 1HB LEU 6 -6.755 4.498 3.935 18 HG LEU 6 HG LEU 6 -8.179 5.818 5.299 19 1HD1 LEU 6 1HD1 LEU 6 -9.267 7.307 3.667 20 2HD1 LEU 6 2HD1 LEU 6 -8.982 6.098 2.414 21 3HD1 LEU 6 3HD1 LEU 6 -7.619 6.871 3.225 22 1HD2 LEU 6 1HD2 LEU 6 -10.598 5.859 5.115 23 2HD2 LEU 6 2HD2 LEU 6 -10.035 4.235 5.512 24 3HD2 LEU 6 3HD2 LEU 6 -10.542 4.613 3.868 25 H ARG 7 H ARG 7 -8.190 1.148 2.519 26 HA ARG 7 HA ARG 7 -5.530 0.403 2.178 27 1HB ARG 7 2HB ARG 7 -7.843 -0.909 2.582 28 2HB ARG 7 1HB ARG 7 -7.642 -1.225 0.866 29 1HG ARG 7 2HG ARG 7 -6.735 -3.035 2.189 30 2HG ARG 7 1HG ARG 7 -5.442 -2.206 1.317 31 1HD ARG 7 2HD ARG 7 -4.981 -2.780 3.742 32 2HD ARG 7 1HD ARG 7 -4.691 -1.112 3.256 33 HE ARG 7 HE ARG 7 -7.300 -1.249 4.218 34 1HH1 ARG 7 1HH1 ARG 7 -4.100 -1.874 5.494 35 2HH1 ARG 7 2HH1 ARG 7 -4.452 -1.202 7.061 36 1HH2 ARG 7 1HH2 ARG 7 -7.732 -0.327 6.313 37 2HH2 ARG 7 2HH2 ARG 7 -6.475 -0.360 7.518 38 H TYR 8 H TYR 8 -8.015 1.273 -0.132 39 HA TYR 8 HA TYR 8 -6.609 0.513 -2.477 40 1HB TYR 8 2HB TYR 8 -8.995 0.704 -2.563 41 2HB TYR 8 1HB TYR 8 -8.942 2.367 -1.997 42 HD1 TYR 8 HD1 TYR 8 -8.976 4.114 -3.527 43 HD2 TYR 8 HD2 TYR 8 -7.901 0.218 -4.862 44 HE1 TYR 8 HE1 TYR 8 -8.997 4.911 -5.851 45 HE2 TYR 8 HE2 TYR 8 -7.920 1.005 -7.192 46 HH TYR 8 HH TYR 8 -8.834 2.763 -8.537 47 H ALA 9 H ALA 9 -7.016 3.581 -0.759 48 HA ALA 9 HA ALA 9 -5.779 5.251 -2.621 49 1HB ALA 9 1HB ALA 9 -5.512 6.835 -0.781 50 2HB ALA 9 2HB ALA 9 -5.870 5.554 0.378 51 3HB ALA 9 3HB ALA 9 -7.110 6.088 -0.757 52 H ILE 10 H ILE 10 -4.403 3.325 -0.004 53 HA ILE 10 HA ILE 10 -1.755 4.283 -0.226 54 HB ILE 10 HB ILE 10 -2.590 1.502 0.620 55 1HG1 ILE 10 2HG1 ILE 10 -3.840 3.213 1.879 56 2HG1 ILE 10 1HG1 ILE 10 -2.691 2.362 2.903 57 1HG2 ILE 10 1HG2 ILE 10 -0.199 1.755 0.229 58 2HG2 ILE 10 2HG2 ILE 10 -0.541 1.540 1.946 59 3HG2 ILE 10 3HG2 ILE 10 -0.161 3.145 1.319 60 1HD1 ILE 10 1HD1 ILE 10 -2.283 5.091 1.709 61 2HD1 ILE 10 2HD1 ILE 10 -1.160 4.241 2.770 62 3HD1 ILE 10 3HD1 ILE 10 -2.737 4.749 3.378 63 H LEU 11 H LEU 11 -3.365 1.443 -1.621 64 HA LEU 11 HA LEU 11 -1.089 0.482 -2.985 65 1HB LEU 11 2HB LEU 11 -4.023 -0.055 -3.375 66 2HB LEU 11 1HB LEU 11 -2.765 -0.895 -4.260 67 HG LEU 11 HG LEU 11 -3.103 -0.946 -1.258 68 1HD1 LEU 11 1HD1 LEU 11 -4.904 -2.121 -2.409 69 2HD1 LEU 11 2HD1 LEU 11 -3.826 -3.253 -1.592 70 3HD1 LEU 11 3HD1 LEU 11 -3.720 -3.038 -3.340 71 1HD2 LEU 11 1HD2 LEU 11 -1.250 -2.488 -3.074 72 2HD2 LEU 11 2HD2 LEU 11 -1.420 -2.711 -1.331 73 3HD2 LEU 11 3HD2 LEU 11 -0.777 -1.196 -1.967 74 H LYS 12 H LYS 12 -3.765 2.578 -4.031 75 HA LYS 12 HA LYS 12 -3.042 2.448 -6.773 76 1HB LYS 12 2HB LYS 12 -4.572 4.336 -7.126 77 2HB LYS 12 1HB LYS 12 -5.304 3.052 -6.186 78 1HG LYS 12 2HG LYS 12 -6.036 5.003 -5.161 79 2HG LYS 12 1HG LYS 12 -4.715 4.457 -4.131 80 1HD LYS 12 2HD LYS 12 -4.641 6.882 -4.514 81 2HD LYS 12 1HD LYS 12 -3.215 6.071 -5.161 82 1HE LYS 12 2HE LYS 12 -4.253 6.122 -7.404 83 2HE LYS 12 1HE LYS 12 -5.619 7.011 -6.728 84 1HZ LYS 12 1HZ LYS 12 -2.787 7.932 -6.779 85 2HZ LYS 12 2HZ LYS 12 -4.077 8.780 -6.091 86 3HZ LYS 12 3HZ LYS 12 -4.044 8.505 -7.764 87 H GLU 13 H GLU 13 -1.923 4.417 -4.131 88 HA GLU 13 HA GLU 13 -0.681 6.340 -5.883 89 1HB GLU 13 2HB GLU 13 -1.451 6.415 -3.246 90 2HB GLU 13 1HB GLU 13 0.299 6.266 -3.124 91 1HG GLU 13 2HG GLU 13 -0.474 8.608 -3.153 92 2HG GLU 13 1HG GLU 13 0.618 8.220 -4.483 93 H ILE 14 H ILE 14 0.203 3.400 -4.256 94 HA ILE 14 HA ILE 14 2.989 3.523 -4.850 95 HB ILE 14 HB ILE 14 1.176 1.143 -4.374 96 1HG1 ILE 14 2HG1 ILE 14 3.149 2.529 -2.545 97 2HG1 ILE 14 1HG1 ILE 14 1.400 2.719 -2.476 98 1HG2 ILE 14 1HG2 ILE 14 4.190 1.243 -4.434 99 2HG2 ILE 14 2HG2 ILE 14 3.156 0.478 -5.639 100 3HG2 ILE 14 3HG2 ILE 14 3.210 -0.155 -3.995 101 1HD1 ILE 14 1HD1 ILE 14 2.913 0.159 -2.007 102 2HD1 ILE 14 2HD1 ILE 14 1.162 0.361 -1.918 103 3HD1 ILE 14 3HD1 ILE 14 2.205 1.194 -0.766 104 H PHE 15 H PHE 15 0.129 2.744 -6.611 105 HA PHE 15 HA PHE 15 1.499 1.417 -8.779 106 1HB PHE 15 2HB PHE 15 -0.856 0.900 -7.955 107 2HB PHE 15 1HB PHE 15 -1.357 2.397 -8.725 108 HD1 PHE 15 HD1 PHE 15 0.359 -0.820 -9.467 109 HD2 PHE 15 HD2 PHE 15 -2.052 2.369 -10.921 110 HE1 PHE 15 HE1 PHE 15 0.036 -2.035 -11.581 111 HE2 PHE 15 HE2 PHE 15 -2.384 1.159 -13.037 112 HZ PHE 15 HZ PHE 15 -1.340 -1.046 -13.369 113 H GLU 16 H GLU 16 0.433 4.643 -7.991 114 HA GLU 16 HA GLU 16 0.880 5.547 -10.748 115 1HB GLU 16 2HB GLU 16 -0.282 6.975 -8.349 116 2HB GLU 16 1HB GLU 16 -0.062 7.710 -9.931 117 1HG GLU 16 2HG GLU 16 -1.782 5.310 -9.368 118 2HG GLU 16 1HG GLU 16 -2.364 6.969 -9.509 119 H GLY 17 H GLY 17 2.038 6.105 -7.447 120 1HA GLY 17 2HA GLY 17 4.069 7.962 -8.480 121 2HA GLY 17 1HA GLY 17 3.594 7.789 -6.797 122 H ASN 18 H ASN 18 3.830 4.760 -7.989 123 HA ASN 18 HA ASN 18 5.315 3.063 -7.838 124 1HB ASN 18 2HB ASN 18 6.797 4.670 -9.195 125 2HB ASN 18 1HB ASN 18 7.567 5.070 -7.667 126 1HD2 ASN 18 1HD2 ASN 18 7.343 2.299 -6.658 127 2HD2 ASN 18 2HD2 ASN 18 8.538 1.402 -7.519 128 H THR 19 H THR 19 7.438 5.173 -6.054 129 HA THR 19 HA THR 19 6.404 5.162 -3.512 130 HB THR 19 HB THR 19 8.277 3.344 -2.684 131 HG1 THR 19 HG1 THR 19 6.920 1.960 -4.735 132 1HG2 THR 19 1HG2 THR 19 6.373 1.866 -2.160 133 2HG2 THR 19 2HG2 THR 19 5.353 2.834 -3.229 134 3HG2 THR 19 3HG2 THR 19 6.040 3.555 -1.773 135 HA PRO 20 HA PRO 20 7.449 4.814 -1.430 136 1HB PRO 20 2HB PRO 20 8.513 6.109 0.625 137 2HB PRO 20 1HB PRO 20 9.401 4.801 -0.167 138 1HG PRO 20 2HG PRO 20 9.750 7.757 -0.423 139 2HG PRO 20 1HG PRO 20 10.980 6.483 -0.357 140 1HD PRO 20 2HD PRO 20 10.018 7.687 -2.686 141 2HD PRO 20 1HD PRO 20 10.899 6.153 -2.603 142 H LEU 21 H LEU 21 6.059 5.881 0.270 143 HA LEU 21 HA LEU 21 5.619 8.735 -0.092 144 1HB LEU 21 2HB LEU 21 3.263 8.598 -0.336 145 2HB LEU 21 1HB LEU 21 3.955 7.537 -1.543 146 HG LEU 21 HG LEU 21 2.937 6.475 1.083 147 1HD1 LEU 21 1HD1 LEU 21 1.114 7.712 0.064 148 2HD1 LEU 21 2HD1 LEU 21 0.825 5.977 -0.068 149 3HD1 LEU 21 3HD1 LEU 21 1.386 6.889 -1.472 150 1HD2 LEU 21 1HD2 LEU 21 3.355 5.236 -1.636 151 2HD2 LEU 21 2HD2 LEU 21 2.655 4.416 -0.240 152 3HD2 LEU 21 3HD2 LEU 21 4.332 4.960 -0.195 153 H SER 22 H SER 22 5.165 9.761 1.790 154 HA SER 22 HA SER 22 5.278 8.192 4.219 155 1HB SER 22 2HB SER 22 5.042 11.195 3.908 156 2HB SER 22 1HB SER 22 5.537 10.315 5.355 157 HG SER 22 HG SER 22 7.487 10.313 4.599 158 H GLU 23 H GLU 23 3.756 8.901 6.051 159 HA GLU 23 HA GLU 23 1.112 8.268 5.376 160 1HB GLU 23 2HB GLU 23 0.565 8.983 7.692 161 2HB GLU 23 1HB GLU 23 1.951 7.906 7.618 162 1HG GLU 23 2HG GLU 23 2.470 10.826 7.591 163 2HG GLU 23 1HG GLU 23 1.927 10.100 9.101 164 H ASN 24 H ASN 24 2.720 11.355 5.782 165 HA ASN 24 HA ASN 24 0.457 13.034 5.755 166 1HB ASN 24 2HB ASN 24 2.690 13.748 6.517 167 2HB ASN 24 1HB ASN 24 3.292 13.616 4.871 168 1HD2 ASN 24 1HD2 ASN 24 0.164 14.927 5.872 169 2HD2 ASN 24 2HD2 ASN 24 0.490 16.540 5.337 170 H ASP 25 H ASP 25 2.307 11.521 3.216 171 HA ASP 25 HA ASP 25 1.506 13.141 1.052 172 1HB ASP 25 2HB ASP 25 2.460 10.282 1.210 173 2HB ASP 25 1HB ASP 25 2.071 11.059 -0.320 174 H ILE 26 H ILE 26 0.240 10.067 2.287 175 HA ILE 26 HA ILE 26 -1.858 10.020 0.329 176 HB ILE 26 HB ILE 26 -0.756 7.962 1.159 177 1HG1 ILE 26 2HG1 ILE 26 -3.161 8.071 0.217 178 2HG1 ILE 26 1HG1 ILE 26 -2.627 6.592 1.005 179 1HG2 ILE 26 1HG2 ILE 26 -2.234 8.503 3.720 180 2HG2 ILE 26 2HG2 ILE 26 -0.488 8.559 3.485 181 3HG2 ILE 26 3HG2 ILE 26 -1.349 7.027 3.328 182 1HD1 ILE 26 1HD1 ILE 26 -4.894 7.138 1.642 183 2HD1 ILE 26 2HD1 ILE 26 -4.379 8.725 2.215 184 3HD1 ILE 26 3HD1 ILE 26 -3.825 7.265 3.037 185 H GLY 27 H GLY 27 -1.563 10.854 3.755 186 1HA GLY 27 2HA GLY 27 -2.970 12.745 4.438 187 2HA GLY 27 1HA GLY 27 -4.280 11.995 3.543 188 H VAL 28 H VAL 28 -2.103 10.162 5.589 189 HA VAL 28 HA VAL 28 -4.194 10.021 7.651 190 HB VAL 28 HB VAL 28 -3.735 7.622 7.999 191 1HG1 VAL 28 1HG1 VAL 28 -4.902 6.765 6.028 192 2HG1 VAL 28 2HG1 VAL 28 -4.582 8.281 5.184 193 3HG1 VAL 28 3HG1 VAL 28 -5.623 8.268 6.608 194 1HG2 VAL 28 1HG2 VAL 28 -2.491 6.332 6.338 195 2HG2 VAL 28 2HG2 VAL 28 -1.463 7.546 7.105 196 3HG2 VAL 28 3HG2 VAL 28 -2.090 7.821 5.481 197 H THR 29 H THR 29 -3.275 9.037 9.715 198 HA THR 29 HA THR 29 -0.778 10.379 10.287 199 HB THR 29 HB THR 29 -1.224 9.546 12.637 200 HG1 THR 29 HG1 THR 29 -3.047 8.448 13.045 201 1HG2 THR 29 1HG2 THR 29 -3.086 11.119 13.017 202 2HG2 THR 29 2HG2 THR 29 -3.349 11.199 11.275 203 3HG2 THR 29 3HG2 THR 29 -1.842 11.796 11.968 204 H GLU 30 H GLU 30 0.810 9.191 11.722 205 HA GLU 30 HA GLU 30 2.166 7.237 10.370 206 1HB GLU 30 2HB GLU 30 2.252 7.052 13.330 207 2HB GLU 30 1HB GLU 30 3.572 7.148 12.174 208 1HG GLU 30 2HG GLU 30 3.278 9.510 11.944 209 2HG GLU 30 1HG GLU 30 1.806 9.458 12.920 210 H ASP 31 H ASP 31 -0.020 6.783 13.099 211 HA ASP 31 HA ASP 31 0.228 4.023 13.372 212 1HB ASP 31 2HB ASP 31 -2.126 5.795 14.043 213 2HB ASP 31 1HB ASP 31 -1.862 4.170 14.671 214 H GLN 32 H GLN 32 -1.915 5.932 11.330 215 HA GLN 32 HA GLN 32 -3.558 3.663 10.653 216 1HB GLN 32 2HB GLN 32 -3.480 6.355 9.285 217 2HB GLN 32 1HB GLN 32 -4.774 5.168 9.220 218 1HG GLN 32 2HG GLN 32 -3.940 6.832 11.580 219 2HG GLN 32 1HG GLN 32 -5.441 6.940 10.666 220 1HE2 GLN 32 1HE2 GLN 32 -3.668 5.187 13.065 221 2HE2 GLN 32 2HE2 GLN 32 -4.983 4.223 13.636 222 H PHE 33 H PHE 33 -0.865 5.415 9.276 223 HA PHE 33 HA PHE 33 -0.903 4.073 6.755 224 1HB PHE 33 2HB PHE 33 0.229 6.280 7.207 225 2HB PHE 33 1HB PHE 33 1.451 5.401 8.121 226 HD1 PHE 33 HD1 PHE 33 3.298 4.475 7.037 227 HD2 PHE 33 HD2 PHE 33 -0.099 5.674 4.765 228 HE1 PHE 33 HE1 PHE 33 4.555 4.095 4.956 229 HE2 PHE 33 HE2 PHE 33 1.152 5.294 2.686 230 HZ PHE 33 HZ PHE 33 3.483 4.502 2.777 231 H ASP 34 H ASP 34 0.659 3.574 9.857 232 HA ASP 34 HA ASP 34 2.264 1.362 9.227 233 1HB ASP 34 2HB ASP 34 2.358 2.652 11.363 234 2HB ASP 34 1HB ASP 34 0.822 1.934 11.833 235 H ASP 35 H ASP 35 -1.059 1.569 10.426 236 HA ASP 35 HA ASP 35 -1.820 -1.084 10.448 237 1HB ASP 35 2HB ASP 35 -3.312 0.657 11.235 238 2HB ASP 35 1HB ASP 35 -3.399 1.369 9.629 239 H ALA 36 H ALA 36 -1.920 1.193 7.733 240 HA ALA 36 HA ALA 36 -3.013 -0.534 5.835 241 1HB ALA 36 1HB ALA 36 -2.890 1.889 5.543 242 2HB ALA 36 2HB ALA 36 -2.210 1.026 4.165 243 3HB ALA 36 3HB ALA 36 -1.141 1.775 5.351 244 H VAL 37 H VAL 37 0.425 0.344 6.260 245 HA VAL 37 HA VAL 37 1.371 -1.327 4.207 246 HB VAL 37 HB VAL 37 2.868 -0.344 6.641 247 1HG1 VAL 37 1HG1 VAL 37 4.882 -0.690 5.282 248 2HG1 VAL 37 2HG1 VAL 37 3.893 -1.395 4.004 249 3HG1 VAL 37 3HG1 VAL 37 4.022 -2.204 5.566 250 1HG2 VAL 37 1HG2 VAL 37 1.894 1.471 5.328 251 2HG2 VAL 37 2HG2 VAL 37 2.633 0.818 3.865 252 3HG2 VAL 37 3HG2 VAL 37 3.649 1.447 5.161 253 H ASN 38 H ASN 38 1.159 -1.899 7.716 254 HA ASN 38 HA ASN 38 2.430 -4.417 7.642 255 1HB ASN 38 2HB ASN 38 0.659 -3.058 9.645 256 2HB ASN 38 1HB ASN 38 1.179 -4.723 9.889 257 1HD2 ASN 38 1HD2 ASN 38 1.822 -2.231 11.365 258 2HD2 ASN 38 2HD2 ASN 38 3.548 -2.142 11.358 259 H PHE 39 H PHE 39 -0.985 -3.499 7.420 260 HA PHE 39 HA PHE 39 -1.983 -6.153 7.411 261 1HB PHE 39 2HB PHE 39 -3.460 -4.278 7.870 262 2HB PHE 39 1HB PHE 39 -3.154 -3.605 6.274 263 HD1 PHE 39 HD1 PHE 39 -4.454 -6.698 7.895 264 HD2 PHE 39 HD2 PHE 39 -4.648 -4.038 4.577 265 HE1 PHE 39 HE1 PHE 39 -6.371 -7.957 7.002 266 HE2 PHE 39 HE2 PHE 39 -6.565 -5.291 3.679 267 HZ PHE 39 HZ PHE 39 -7.428 -7.254 4.894 268 H LEU 40 H LEU 40 -0.946 -3.943 4.860 269 HA LEU 40 HA LEU 40 -1.717 -5.549 2.671 270 1HB LEU 40 2HB LEU 40 0.463 -3.469 2.886 271 2HB LEU 40 1HB LEU 40 -0.072 -4.189 1.381 272 HG LEU 40 HG LEU 40 -1.784 -2.504 3.209 273 1HD1 LEU 40 1HD1 LEU 40 -0.517 -1.860 0.549 274 2HD1 LEU 40 2HD1 LEU 40 -0.060 -1.188 2.114 275 3HD1 LEU 40 3HD1 LEU 40 -1.642 -0.827 1.429 276 1HD2 LEU 40 1HD2 LEU 40 -2.363 -3.647 0.479 277 2HD2 LEU 40 2HD2 LEU 40 -3.415 -2.571 1.398 278 3HD2 LEU 40 3HD2 LEU 40 -3.070 -4.193 2.000 279 H LYS 41 H LYS 41 1.336 -5.292 4.459 280 HA LYS 41 HA LYS 41 2.720 -7.132 2.788 281 1HB LYS 41 2HB LYS 41 3.865 -5.420 4.139 282 2HB LYS 41 1HB LYS 41 3.345 -6.228 5.610 283 1HG LYS 41 2HG LYS 41 4.917 -7.781 3.621 284 2HG LYS 41 1HG LYS 41 5.755 -6.587 4.614 285 1HD LYS 41 2HD LYS 41 4.950 -7.676 6.639 286 2HD LYS 41 1HD LYS 41 4.027 -8.828 5.678 287 1HE LYS 41 2HE LYS 41 6.072 -9.858 6.451 288 2HE LYS 41 1HE LYS 41 6.131 -9.662 4.700 289 1HZ LYS 41 1HZ LYS 41 7.538 -7.753 4.956 290 2HZ LYS 41 2HZ LYS 41 8.220 -9.049 5.808 291 3HZ LYS 41 3HZ LYS 41 7.412 -7.820 6.645 292 H ARG 42 H ARG 42 0.876 -7.434 5.775 293 HA ARG 42 HA ARG 42 1.645 -10.014 6.518 294 1HB ARG 42 2HB ARG 42 0.265 -8.432 7.891 295 2HB ARG 42 1HB ARG 42 -1.111 -8.832 6.872 296 1HG ARG 42 2HG ARG 42 -0.630 -11.267 7.523 297 2HG ARG 42 1HG ARG 42 0.357 -10.575 8.810 298 1HD ARG 42 2HD ARG 42 -1.720 -9.181 9.380 299 2HD ARG 42 1HD ARG 42 -2.598 -10.325 8.365 300 HE ARG 42 HE ARG 42 -1.159 -10.982 10.854 301 1HH1 ARG 42 1HH1 ARG 42 -3.507 -11.848 8.375 302 2HH1 ARG 42 2HH1 ARG 42 -4.147 -13.183 9.299 303 1HH2 ARG 42 1HH2 ARG 42 -1.991 -12.719 12.031 304 2HH2 ARG 42 2HH2 ARG 42 -3.260 -13.704 11.359 305 H GLU 43 H GLU 43 -1.195 -9.015 4.620 306 HA GLU 43 HA GLU 43 -1.871 -11.771 4.092 307 1HB GLU 43 2HB GLU 43 -3.134 -9.190 3.178 308 2HB GLU 43 1HB GLU 43 -3.774 -10.789 2.822 309 1HG GLU 43 2HG GLU 43 -3.474 -9.503 5.519 310 2HG GLU 43 1HG GLU 43 -4.972 -9.893 4.672 311 H GLY 44 H GLY 44 0.279 -9.672 2.734 312 1HA GLY 44 2HA GLY 44 1.652 -10.069 0.917 313 2HA GLY 44 1HA GLY 44 0.641 -11.443 0.502 314 H TYR 45 H TYR 45 -0.291 -8.041 0.872 315 HA TYR 45 HA TYR 45 -1.471 -7.989 -1.760 316 1HB TYR 45 2HB TYR 45 -1.079 -5.881 0.368 317 2HB TYR 45 1HB TYR 45 -1.754 -5.507 -1.212 318 HD1 TYR 45 HD1 TYR 45 -4.008 -6.004 -1.735 319 HD2 TYR 45 HD2 TYR 45 -2.322 -7.402 1.912 320 HE1 TYR 45 HE1 TYR 45 -6.255 -6.595 -0.934 321 HE2 TYR 45 HE2 TYR 45 -4.565 -8.002 2.727 322 HH TYR 45 HH TYR 45 -6.903 -7.373 2.313 323 H ILE 46 H ILE 46 1.460 -6.922 -0.204 324 HA ILE 46 HA ILE 46 2.610 -6.314 -2.813 325 HB ILE 46 HB ILE 46 3.843 -4.357 -1.589 326 1HG1 ILE 46 2HG1 ILE 46 2.197 -3.117 -0.093 327 2HG1 ILE 46 1HG1 ILE 46 1.305 -4.627 0.029 328 1HG2 ILE 46 1HG2 ILE 46 1.011 -4.111 -2.582 329 2HG2 ILE 46 2HG2 ILE 46 2.475 -4.089 -3.565 330 3HG2 ILE 46 3HG2 ILE 46 2.160 -2.780 -2.424 331 1HD1 ILE 46 1HD1 ILE 46 2.738 -4.272 1.955 332 2HD1 ILE 46 2HD1 ILE 46 4.148 -4.188 0.903 333 3HD1 ILE 46 3HD1 ILE 46 3.244 -5.695 1.045 334 H ILE 47 H ILE 47 4.937 -6.353 -2.818 335 HA ILE 47 HA ILE 47 6.146 -7.685 -0.486 336 HB ILE 47 HB ILE 47 7.468 -9.126 -1.974 337 1HG1 ILE 47 2HG1 ILE 47 5.673 -8.154 -4.203 338 2HG1 ILE 47 1HG1 ILE 47 7.318 -7.580 -3.950 339 1HG2 ILE 47 1HG2 ILE 47 4.499 -9.401 -2.422 340 2HG2 ILE 47 2HG2 ILE 47 5.391 -9.983 -1.015 341 3HG2 ILE 47 3HG2 ILE 47 5.699 -10.683 -2.605 342 1HD1 ILE 47 1HD1 ILE 47 8.156 -9.844 -4.290 343 2HD1 ILE 47 2HD1 ILE 47 7.230 -9.277 -5.679 344 3HD1 ILE 47 3HD1 ILE 47 6.507 -10.416 -4.542 345 H GLY 48 H GLY 48 8.563 -7.565 -0.541 346 1HA GLY 48 2HA GLY 48 10.576 -6.598 -1.292 347 2HA GLY 48 1HA GLY 48 9.649 -5.492 -2.293 348 H VAL 49 H VAL 49 8.144 -5.437 0.586 349 HA VAL 49 HA VAL 49 9.228 -2.870 1.266 350 HB VAL 49 HB VAL 49 7.196 -4.547 2.754 351 1HG1 VAL 49 1HG1 VAL 49 7.883 -1.621 3.005 352 2HG1 VAL 49 2HG1 VAL 49 8.221 -2.879 4.195 353 3HG1 VAL 49 3HG1 VAL 49 6.553 -2.437 3.827 354 1HG2 VAL 49 1HG2 VAL 49 6.454 -4.013 0.501 355 2HG2 VAL 49 2HG2 VAL 49 6.816 -2.308 0.769 356 3HG2 VAL 49 3HG2 VAL 49 5.532 -3.093 1.690 357 H HIS 50 H HIS 50 10.803 -2.444 2.657 358 HA HIS 50 HA HIS 50 11.829 -4.640 4.291 359 1HB HIS 50 2HB HIS 50 13.030 -2.247 3.032 360 2HB HIS 50 1HB HIS 50 13.693 -2.707 4.595 361 HD1 HIS 50 HD1 HIS 50 13.883 -3.490 1.043 362 HD2 HIS 50 HD2 HIS 50 14.646 -5.488 4.610 363 HE1 HIS 50 HE1 HIS 50 15.293 -5.469 0.425 364 HE2 HIS 50 HE2 HIS 50 15.554 -6.777 2.556 365 H TYR 51 H TYR 51 12.268 -4.363 6.512 366 HA TYR 51 HA TYR 51 10.566 -2.280 7.721 367 1HB TYR 51 2HB TYR 51 10.820 -5.203 8.289 368 2HB TYR 51 1HB TYR 51 10.392 -4.109 9.596 369 HD1 TYR 51 HD1 TYR 51 9.351 -5.002 6.121 370 HD2 TYR 51 HD2 TYR 51 8.191 -3.613 9.967 371 HE1 TYR 51 HE1 TYR 51 6.991 -5.095 5.437 372 HE2 TYR 51 HE2 TYR 51 5.832 -3.695 9.296 373 HH TYR 51 HH TYR 51 4.438 -3.818 7.482 374 H SER 52 H SER 52 11.321 -1.144 9.433 375 HA SER 52 HA SER 52 13.704 -2.193 10.804 376 1HB SER 52 2HB SER 52 12.661 0.655 10.676 377 2HB SER 52 1HB SER 52 14.038 0.127 11.642 378 HG SER 52 HG SER 52 14.265 -0.677 9.059 379 H ASP 53 H ASP 53 13.575 -1.645 13.247 380 HA ASP 53 HA ASP 53 11.412 -3.129 14.203 381 1HB ASP 53 2HB ASP 53 13.563 -3.027 15.358 382 2HB ASP 53 1HB ASP 53 13.286 -1.332 15.748 383 H ASP 54 H ASP 54 11.748 0.327 13.807 384 HA ASP 54 HA ASP 54 9.422 0.808 15.509 385 1HB ASP 54 2HB ASP 54 10.026 3.117 15.494 386 2HB ASP 54 1HB ASP 54 11.510 2.199 15.731 387 H ARG 55 H ARG 55 10.369 0.952 12.111 388 HA ARG 55 HA ARG 55 7.610 1.364 11.346 389 1HB ARG 55 2HB ARG 55 8.331 3.678 11.744 390 2HB ARG 55 1HB ARG 55 9.710 3.446 10.677 391 1HG ARG 55 2HG ARG 55 8.120 3.023 8.808 392 2HG ARG 55 1HG ARG 55 6.800 3.433 9.900 393 1HD ARG 55 2HD ARG 55 9.078 5.319 9.395 394 2HD ARG 55 1HD ARG 55 7.679 5.253 8.327 395 HE ARG 55 HE ARG 55 7.413 5.819 11.210 396 1HH1 ARG 55 1HH1 ARG 55 6.744 6.595 7.861 397 2HH1 ARG 55 2HH1 ARG 55 5.677 7.919 8.236 398 1HH2 ARG 55 1HH2 ARG 55 6.020 7.562 11.717 399 2HH2 ARG 55 2HH2 ARG 55 5.243 8.449 10.423 400 HA PRO 56 HA PRO 56 9.057 -0.956 7.764 401 1HB PRO 56 2HB PRO 56 6.717 0.299 6.459 402 2HB PRO 56 1HB PRO 56 7.122 -1.412 6.627 403 1HG PRO 56 2HG PRO 56 5.139 -0.277 8.039 404 2HG PRO 56 1HG PRO 56 6.148 -1.570 8.711 405 1HD PRO 56 2HD PRO 56 6.226 1.365 9.238 406 2HD PRO 56 1HD PRO 56 6.516 0.008 10.347 407 H HIS 57 H HIS 57 10.119 -0.410 5.846 408 HA HIS 57 HA HIS 57 10.316 2.476 5.311 409 1HB HIS 57 2HB HIS 57 12.454 0.391 5.490 410 2HB HIS 57 1HB HIS 57 12.680 1.773 4.421 411 HD1 HIS 57 HD1 HIS 57 13.021 4.070 5.498 412 HD2 HIS 57 HD2 HIS 57 12.500 0.985 8.234 413 HE1 HIS 57 HE1 HIS 57 13.641 5.035 7.738 414 HE2 HIS 57 HE2 HIS 57 13.182 3.198 9.397 415 H LEU 58 H LEU 58 9.424 2.969 3.488 416 HA LEU 58 HA LEU 58 9.464 1.091 1.251 417 1HB LEU 58 2HB LEU 58 8.065 3.752 1.562 418 2HB LEU 58 1HB LEU 58 7.915 2.683 0.179 419 HG LEU 58 HG LEU 58 7.017 2.032 2.991 420 1HD1 LEU 58 1HD1 LEU 58 5.636 3.756 1.949 421 2HD1 LEU 58 2HD1 LEU 58 4.758 2.233 2.090 422 3HD1 LEU 58 3HD1 LEU 58 5.417 2.730 0.533 423 1HD2 LEU 58 1HD2 LEU 58 6.651 0.522 0.407 424 2HD2 LEU 58 2HD2 LEU 58 5.976 0.080 1.975 425 3HD2 LEU 58 3HD2 LEU 58 7.722 0.059 1.732 426 H TYR 59 H TYR 59 10.479 1.564 -0.671 427 HA TYR 59 HA TYR 59 11.757 4.143 -0.992 428 1HB TYR 59 2HB TYR 59 13.894 2.990 -1.753 429 2HB TYR 59 1HB TYR 59 13.596 3.023 -0.024 430 HD1 TYR 59 HD1 TYR 59 14.052 0.940 -2.950 431 HD2 TYR 59 HD2 TYR 59 12.897 0.918 1.152 432 HE1 TYR 59 HE1 TYR 59 14.401 -1.492 -2.862 433 HE2 TYR 59 HE2 TYR 59 13.237 -1.509 1.237 434 HH TYR 59 HH TYR 59 14.958 -3.199 -1.027 435 H LYS 60 H LYS 60 12.844 4.122 -3.310 436 HA LYS 60 HA LYS 60 10.591 4.204 -4.943 437 1HB LYS 60 2HB LYS 60 13.495 4.214 -5.777 438 2HB LYS 60 1HB LYS 60 12.144 4.726 -6.779 439 1HG LYS 60 2HG LYS 60 11.671 6.554 -5.266 440 2HG LYS 60 1HG LYS 60 12.957 6.016 -4.182 441 1HD LYS 60 2HD LYS 60 13.803 7.829 -5.492 442 2HD LYS 60 1HD LYS 60 14.575 6.347 -6.052 443 1HE LYS 60 2HE LYS 60 13.962 7.667 -7.964 444 2HE LYS 60 1HE LYS 60 12.920 6.246 -7.902 445 1HZ LYS 60 1HZ LYS 60 11.814 8.452 -8.392 446 2HZ LYS 60 2HZ LYS 60 12.088 8.853 -6.768 447 3HZ LYS 60 3HZ LYS 60 11.115 7.521 -7.162 448 H LEU 61 H LEU 61 13.352 1.928 -5.183 449 HA LEU 61 HA LEU 61 11.634 0.311 -6.948 450 1HB LEU 61 2HB LEU 61 14.641 0.402 -6.739 451 2HB LEU 61 1HB LEU 61 13.750 -0.718 -7.753 452 HG LEU 61 HG LEU 61 13.732 2.290 -8.038 453 1HD1 LEU 61 1HD1 LEU 61 15.869 1.339 -8.674 454 2HD1 LEU 61 2HD1 LEU 61 14.982 1.866 -10.105 455 3HD1 LEU 61 3HD1 LEU 61 15.059 0.153 -9.696 456 1HD2 LEU 61 1HD2 LEU 61 11.622 1.291 -8.728 457 2HD2 LEU 61 2HD2 LEU 61 12.484 0.139 -9.746 458 3HD2 LEU 61 3HD2 LEU 61 12.530 1.860 -10.128 459 H GLY 62 H GLY 62 10.555 -0.830 -5.366 460 1HA GLY 62 2HA GLY 62 11.937 -3.130 -4.367 461 2HA GLY 62 1HA GLY 62 11.536 -1.992 -3.090 462 HA PRO 63 HA PRO 63 7.499 -3.542 -2.629 463 1HB PRO 63 2HB PRO 63 6.177 -0.957 -3.116 464 2HB PRO 63 1HB PRO 63 6.258 -1.917 -1.637 465 1HG PRO 63 2HG PRO 63 7.614 0.381 -1.899 466 2HG PRO 63 1HG PRO 63 8.276 -0.991 -0.990 467 1HD PRO 63 2HD PRO 63 8.910 -0.078 -3.774 468 2HD PRO 63 1HD PRO 63 10.008 -0.647 -2.499 469 H GLU 64 H GLU 64 6.889 -4.879 -4.212 470 HA GLU 64 HA GLU 64 5.611 -3.741 -6.614 471 1HB GLU 64 2HB GLU 64 6.797 -6.477 -6.108 472 2HB GLU 64 1HB GLU 64 5.891 -6.057 -7.555 473 1HG GLU 64 2HG GLU 64 8.388 -4.632 -6.670 474 2HG GLU 64 1HG GLU 64 8.373 -5.985 -7.801 475 H LEU 65 H LEU 65 3.633 -4.789 -7.374 476 HA LEU 65 HA LEU 65 1.942 -5.454 -5.077 477 1HB LEU 65 2HB LEU 65 1.302 -4.524 -7.872 478 2HB LEU 65 1HB LEU 65 0.064 -5.089 -6.764 479 HG LEU 65 HG LEU 65 0.933 -3.257 -5.169 480 1HD1 LEU 65 1HD1 LEU 65 3.004 -2.748 -6.326 481 2HD1 LEU 65 2HD1 LEU 65 1.957 -1.327 -6.270 482 3HD1 LEU 65 3HD1 LEU 65 2.099 -2.261 -7.760 483 1HD2 LEU 65 1HD2 LEU 65 -0.464 -1.561 -6.260 484 2HD2 LEU 65 2HD2 LEU 65 -1.225 -3.152 -6.261 485 3HD2 LEU 65 3HD2 LEU 65 -0.476 -2.531 -7.732 486 H THR 66 H THR 66 0.552 -7.219 -5.053 487 HA THR 66 HA THR 66 1.422 -9.457 -6.747 488 HB THR 66 HB THR 66 0.457 -10.905 -5.017 489 HG1 THR 66 HG1 THR 66 -0.202 -9.737 -3.016 490 1HG2 THR 66 1HG2 THR 66 2.267 -8.777 -3.864 491 2HG2 THR 66 2HG2 THR 66 2.790 -10.207 -4.755 492 3HG2 THR 66 3HG2 THR 66 2.005 -10.384 -3.185 493 H GLU 67 H GLU 67 -0.433 -11.171 -6.915 494 HA GLU 67 HA GLU 67 -2.581 -10.316 -8.442 495 1HB GLU 67 2HB GLU 67 -1.792 -12.656 -8.236 496 2HB GLU 67 1HB GLU 67 -2.433 -12.718 -6.603 497 1HG GLU 67 2HG GLU 67 -3.985 -13.830 -7.970 498 2HG GLU 67 1HG GLU 67 -4.697 -12.264 -7.591 499 H LYS 68 H LYS 68 -2.379 -10.883 -4.956 500 HA LYS 68 HA LYS 68 -5.034 -10.451 -4.244 501 1HB LYS 68 2HB LYS 68 -3.296 -11.348 -2.734 502 2HB LYS 68 1HB LYS 68 -2.546 -9.761 -2.665 503 1HG LYS 68 2HG LYS 68 -3.833 -10.130 -0.673 504 2HG LYS 68 1HG LYS 68 -4.604 -8.868 -1.636 505 1HD LYS 68 2HD LYS 68 -6.269 -10.400 -0.749 506 2HD LYS 68 1HD LYS 68 -6.194 -10.526 -2.507 507 1HE LYS 68 2HE LYS 68 -4.773 -12.518 -2.286 508 2HE LYS 68 1HE LYS 68 -4.889 -12.394 -0.532 509 1HZ LYS 68 1HZ LYS 68 -6.443 -14.008 -1.374 510 2HZ LYS 68 2HZ LYS 68 -7.150 -12.859 -2.399 511 3HZ LYS 68 3HZ LYS 68 -7.291 -12.695 -0.718 512 H GLY 69 H GLY 69 -2.347 -8.116 -4.335 513 1HA GLY 69 2HA GLY 69 -3.913 -5.876 -3.581 514 2HA GLY 69 1HA GLY 69 -2.332 -5.817 -4.345 515 H GLU 70 H GLU 70 -3.020 -7.230 -6.702 516 HA GLU 70 HA GLU 70 -3.882 -5.111 -8.328 517 1HB GLU 70 2HB GLU 70 -2.466 -7.100 -8.999 518 2HB GLU 70 1HB GLU 70 -3.951 -8.040 -9.055 519 1HG GLU 70 2HG GLU 70 -4.832 -6.486 -10.748 520 2HG GLU 70 1HG GLU 70 -3.289 -5.632 -10.727 521 H ASN 71 H ASN 71 -5.584 -8.051 -7.264 522 HA ASN 71 HA ASN 71 -8.010 -7.528 -8.580 523 1HB ASN 71 2HB ASN 71 -7.298 -9.184 -6.182 524 2HB ASN 71 1HB ASN 71 -8.986 -8.960 -6.630 525 1HD2 ASN 71 1HD2 ASN 71 -5.954 -10.364 -7.501 526 2HD2 ASN 71 2HD2 ASN 71 -6.549 -11.369 -8.776 527 H TYR 72 H TYR 72 -6.846 -6.561 -5.390 528 HA TYR 72 HA TYR 72 -9.280 -5.553 -4.429 529 1HB TYR 72 2HB TYR 72 -7.329 -5.975 -2.973 530 2HB TYR 72 1HB TYR 72 -6.491 -4.611 -3.716 531 HD1 TYR 72 HD1 TYR 72 -7.085 -2.343 -3.181 532 HD2 TYR 72 HD2 TYR 72 -9.262 -5.595 -1.507 533 HE1 TYR 72 HE1 TYR 72 -8.185 -0.798 -1.622 534 HE2 TYR 72 HE2 TYR 72 -10.363 -4.055 0.062 535 HH TYR 72 HH TYR 72 -10.535 -0.874 -0.345 536 H LEU 73 H LEU 73 -6.699 -4.012 -6.302 537 HA LEU 73 HA LEU 73 -7.685 -1.391 -6.272 538 1HB LEU 73 2HB LEU 73 -6.188 -2.847 -8.455 539 2HB LEU 73 1HB LEU 73 -6.462 -1.115 -8.426 540 HG LEU 73 HG LEU 73 -4.873 -2.661 -6.377 541 1HD1 LEU 73 1HD1 LEU 73 -3.753 -2.569 -8.541 542 2HD1 LEU 73 2HD1 LEU 73 -2.936 -1.551 -7.356 543 3HD1 LEU 73 3HD1 LEU 73 -3.967 -0.818 -8.584 544 1HD2 LEU 73 1HD2 LEU 73 -4.223 -0.467 -5.545 545 2HD2 LEU 73 2HD2 LEU 73 -5.970 -0.686 -5.443 546 3HD2 LEU 73 3HD2 LEU 73 -5.277 0.306 -6.727 547 H LYS 74 H LYS 74 -8.408 -4.111 -8.380 548 HA LYS 74 HA LYS 74 -10.047 -2.735 -10.214 549 1HB LYS 74 2HB LYS 74 -8.992 -4.929 -10.632 550 2HB LYS 74 1HB LYS 74 -10.060 -5.657 -9.445 551 1HG LYS 74 2HG LYS 74 -11.985 -5.168 -10.821 552 2HG LYS 74 1HG LYS 74 -10.962 -4.322 -11.985 553 1HD LYS 74 2HD LYS 74 -10.676 -7.238 -11.255 554 2HD LYS 74 1HD LYS 74 -11.545 -6.643 -12.672 555 1HE LYS 74 2HE LYS 74 -9.520 -5.658 -13.548 556 2HE LYS 74 1HE LYS 74 -8.633 -6.104 -12.093 557 1HZ LYS 74 1HZ LYS 74 -8.231 -7.617 -13.961 558 2HZ LYS 74 2HZ LYS 74 -9.869 -8.038 -13.978 559 3HZ LYS 74 3HZ LYS 74 -8.912 -8.417 -12.631 560 H GLU 75 H GLU 75 -10.740 -4.432 -7.198 561 HA GLU 75 HA GLU 75 -13.586 -4.209 -7.486 562 1HB GLU 75 2HB GLU 75 -11.956 -4.859 -5.026 563 2HB GLU 75 1HB GLU 75 -13.687 -5.104 -5.216 564 1HG GLU 75 2HG GLU 75 -13.250 -6.710 -7.014 565 2HG GLU 75 1HG GLU 75 -11.517 -6.488 -6.773 566 H ASN 76 H ASN 76 -11.082 -2.422 -5.761 567 HA ASN 76 HA ASN 76 -13.087 -0.740 -4.465 568 1HB ASN 76 2HB ASN 76 -10.802 -1.677 -3.457 569 2HB ASN 76 1HB ASN 76 -10.178 -0.181 -4.144 570 1HD2 ASN 76 1HD2 ASN 76 -11.354 1.824 -3.518 571 2HD2 ASN 76 2HD2 ASN 76 -11.971 1.923 -1.905 572 H GLY 77 H GLY 77 -11.833 -0.752 -7.431 573 1HA GLY 77 2HA GLY 77 -10.784 1.732 -8.001 574 2HA GLY 77 1HA GLY 77 -11.798 0.821 -9.103 575 H THR 78 H THR 78 -13.991 1.084 -6.944 576 HA THR 78 HA THR 78 -15.091 3.594 -7.854 577 HB THR 78 HB THR 78 -16.554 1.648 -7.629 578 HG1 THR 78 HG1 THR 78 -18.147 2.902 -7.023 579 1HG2 THR 78 1HG2 THR 78 -15.929 1.755 -4.682 580 2HG2 THR 78 2HG2 THR 78 -15.416 0.500 -5.807 581 3HG2 THR 78 3HG2 THR 78 -17.128 0.711 -5.443 582 H TRP 79 H TRP 79 -16.464 3.950 -5.172 583 HA TRP 79 HA TRP 79 -16.184 4.860 -3.100 584 1HB TRP 79 2HB TRP 79 -14.279 3.370 -2.700 585 2HB TRP 79 1HB TRP 79 -13.215 4.478 -3.557 586 HD1 TRP 79 HD1 TRP 79 -15.658 4.880 -0.551 587 HE1 TRP 79 HE1 TRP 79 -14.454 6.242 1.270 588 HE3 TRP 79 HE3 TRP 79 -11.182 5.566 -2.917 589 HZ2 TRP 79 HZ2 TRP 79 -11.914 7.431 1.651 590 HZ3 TRP 79 HZ3 TRP 79 -9.417 6.824 -1.756 591 HH2 TRP 79 HH2 TRP 79 -9.774 7.737 0.479 592 H SER 80 H SER 80 -15.918 6.963 -2.260 593 HA SER 80 HA SER 80 -15.792 8.929 -4.361 594 1HB SER 80 2HB SER 80 -17.532 9.000 -2.586 595 2HB SER 80 1HB SER 80 -16.272 9.332 -1.401 596 HG SER 80 HG SER 80 -15.944 11.299 -2.271 597 H LYS 81 H LYS 81 -13.600 8.778 -4.918 598 HA LYS 81 HA LYS 81 -11.597 9.548 -2.958 599 1HB LYS 81 2HB LYS 81 -9.993 9.098 -4.790 600 2HB LYS 81 1HB LYS 81 -11.047 7.732 -4.463 601 1HG LYS 81 2HG LYS 81 -12.463 8.455 -6.382 602 2HG LYS 81 1HG LYS 81 -11.244 9.673 -6.752 603 1HD LYS 81 2HD LYS 81 -9.577 7.942 -7.079 604 2HD LYS 81 1HD LYS 81 -10.743 6.701 -6.619 605 1HE LYS 81 2HE LYS 81 -10.615 6.715 -9.000 606 2HE LYS 81 1HE LYS 81 -12.159 7.434 -8.546 607 1HZ LYS 81 1HZ LYS 81 -11.041 9.648 -8.808 608 2HZ LYS 81 2HZ LYS 81 -11.250 8.773 -10.238 609 3HZ LYS 81 3HZ LYS 81 -9.723 8.832 -9.502 610 H ALA 82 H ALA 82 -13.724 11.394 -4.284 611 HA ALA 82 HA ALA 82 -11.909 13.630 -4.640 612 1HB ALA 82 1HB ALA 82 -12.127 12.722 -6.905 613 2HB ALA 82 2HB ALA 82 -12.857 14.320 -6.770 614 3HB ALA 82 3HB ALA 82 -13.880 12.883 -6.797 Start of MODEL 3 1 H LYS 5 H LYS 5 -11.104 0.562 4.408 2 HA LYS 5 HA LYS 5 -12.423 1.082 1.837 3 1HB LYS 5 2HB LYS 5 -13.357 3.165 2.748 4 2HB LYS 5 1HB LYS 5 -13.957 1.755 3.608 5 1HG LYS 5 2HG LYS 5 -11.787 2.435 5.111 6 2HG LYS 5 1HG LYS 5 -12.364 4.011 4.568 7 1HD LYS 5 2HD LYS 5 -13.444 3.523 6.638 8 2HD LYS 5 1HD LYS 5 -14.646 3.346 5.358 9 1HE LYS 5 2HE LYS 5 -14.336 0.929 5.385 10 2HE LYS 5 1HE LYS 5 -13.098 1.089 6.628 11 1HZ LYS 5 1HZ LYS 5 -15.980 1.757 6.900 12 2HZ LYS 5 2HZ LYS 5 -14.807 2.058 8.089 13 3HZ LYS 5 3HZ LYS 5 -15.161 0.463 7.635 14 H LEU 6 H LEU 6 -9.994 2.003 4.204 15 HA LEU 6 HA LEU 6 -8.902 4.085 2.520 16 1HB LEU 6 2HB LEU 6 -8.439 3.091 5.256 17 2HB LEU 6 1HB LEU 6 -7.012 3.692 4.431 18 HG LEU 6 HG LEU 6 -8.044 5.436 5.789 19 1HD1 LEU 6 1HD1 LEU 6 -8.200 7.169 4.079 20 2HD1 LEU 6 2HD1 LEU 6 -8.359 5.932 2.832 21 3HD1 LEU 6 3HD1 LEU 6 -6.859 6.068 3.751 22 1HD2 LEU 6 1HD2 LEU 6 -10.353 4.659 5.731 23 2HD2 LEU 6 2HD2 LEU 6 -10.459 5.074 4.021 24 3HD2 LEU 6 3HD2 LEU 6 -10.240 6.345 5.225 25 H ARG 7 H ARG 7 -8.467 0.716 3.021 26 HA ARG 7 HA ARG 7 -5.850 0.301 2.218 27 1HB ARG 7 2HB ARG 7 -8.311 -1.361 1.679 28 2HB ARG 7 1HB ARG 7 -6.694 -1.899 1.280 29 1HG ARG 7 2HG ARG 7 -7.876 -1.415 3.984 30 2HG ARG 7 1HG ARG 7 -7.207 -2.906 3.322 31 1HD ARG 7 2HD ARG 7 -4.980 -1.800 3.260 32 2HD ARG 7 1HD ARG 7 -5.695 -0.415 4.083 33 HE ARG 7 HE ARG 7 -5.084 -3.012 5.227 34 1HH1 ARG 7 1HH1 ARG 7 -6.827 -0.001 5.635 35 2HH1 ARG 7 2HH1 ARG 7 -6.799 -0.073 7.372 36 1HH2 ARG 7 1HH2 ARG 7 -5.050 -3.100 7.523 37 2HH2 ARG 7 2HH2 ARG 7 -5.753 -1.806 8.437 38 H TYR 8 H TYR 8 -8.647 1.117 0.250 39 HA TYR 8 HA TYR 8 -7.434 0.553 -2.254 40 1HB TYR 8 2HB TYR 8 -9.834 0.744 -2.163 41 2HB TYR 8 1HB TYR 8 -9.728 2.389 -1.536 42 HD1 TYR 8 HD1 TYR 8 -8.992 0.303 -4.524 43 HD2 TYR 8 HD2 TYR 8 -9.600 4.229 -3.000 44 HE1 TYR 8 HE1 TYR 8 -9.003 1.182 -6.816 45 HE2 TYR 8 HE2 TYR 8 -9.613 5.123 -5.291 46 HH TYR 8 HH TYR 8 -9.742 3.074 -8.074 47 H ALA 9 H ALA 9 -7.945 3.612 -0.508 48 HA ALA 9 HA ALA 9 -6.710 5.301 -2.337 49 1HB ALA 9 1HB ALA 9 -6.489 6.886 -0.493 50 2HB ALA 9 2HB ALA 9 -6.831 5.596 0.661 51 3HB ALA 9 3HB ALA 9 -8.072 6.108 -0.483 52 H ILE 10 H ILE 10 -5.338 3.682 0.493 53 HA ILE 10 HA ILE 10 -2.731 4.677 0.218 54 HB ILE 10 HB ILE 10 -3.772 2.172 1.537 55 1HG1 ILE 10 2HG1 ILE 10 -2.898 4.872 2.591 56 2HG1 ILE 10 1HG1 ILE 10 -4.550 4.272 2.503 57 1HG2 ILE 10 1HG2 ILE 10 -0.999 3.346 1.740 58 2HG2 ILE 10 2HG2 ILE 10 -1.424 1.835 0.937 59 3HG2 ILE 10 3HG2 ILE 10 -1.626 1.991 2.683 60 1HD1 ILE 10 1HD1 ILE 10 -2.348 3.157 4.218 61 2HD1 ILE 10 2HD1 ILE 10 -3.994 2.532 4.122 62 3HD1 ILE 10 3HD1 ILE 10 -3.701 4.148 4.761 63 H LEU 11 H LEU 11 -4.232 1.713 -1.026 64 HA LEU 11 HA LEU 11 -1.880 0.631 -2.156 65 1HB LEU 11 2HB LEU 11 -4.209 -0.449 -1.702 66 2HB LEU 11 1HB LEU 11 -4.607 0.141 -3.302 67 HG LEU 11 HG LEU 11 -2.633 -1.148 -4.178 68 1HD1 LEU 11 1HD1 LEU 11 -1.389 -1.336 -2.095 69 2HD1 LEU 11 2HD1 LEU 11 -1.732 -2.931 -2.768 70 3HD1 LEU 11 3HD1 LEU 11 -2.675 -2.327 -1.406 71 1HD2 LEU 11 1HD2 LEU 11 -3.762 -3.305 -4.106 72 2HD2 LEU 11 2HD2 LEU 11 -4.912 -1.994 -4.376 73 3HD2 LEU 11 3HD2 LEU 11 -4.779 -2.739 -2.782 74 H LYS 12 H LYS 12 -4.304 2.887 -3.343 75 HA LYS 12 HA LYS 12 -3.459 2.824 -6.060 76 1HB LYS 12 2HB LYS 12 -5.713 3.601 -5.339 77 2HB LYS 12 1HB LYS 12 -4.958 5.029 -4.645 78 1HG LYS 12 2HG LYS 12 -4.137 5.662 -6.867 79 2HG LYS 12 1HG LYS 12 -4.940 4.249 -7.550 80 1HD LYS 12 2HD LYS 12 -6.336 6.164 -7.910 81 2HD LYS 12 1HD LYS 12 -7.099 5.139 -6.696 82 1HE LYS 12 2HE LYS 12 -7.211 7.530 -6.122 83 2HE LYS 12 1HE LYS 12 -6.319 6.588 -4.927 84 1HZ LYS 12 1HZ LYS 12 -4.840 7.911 -7.104 85 2HZ LYS 12 2HZ LYS 12 -4.334 7.542 -5.522 86 3HZ LYS 12 3HZ LYS 12 -5.382 8.838 -5.793 87 H GLU 13 H GLU 13 -2.661 4.908 -3.297 88 HA GLU 13 HA GLU 13 -1.177 6.803 -4.758 89 1HB GLU 13 2HB GLU 13 -0.815 5.943 -1.882 90 2HB GLU 13 1HB GLU 13 -0.118 7.386 -2.608 91 1HG GLU 13 2HG GLU 13 -3.036 6.794 -2.188 92 2HG GLU 13 1HG GLU 13 -2.060 7.998 -1.352 93 H ILE 14 H ILE 14 -0.248 3.760 -3.235 94 HA ILE 14 HA ILE 14 2.508 3.903 -3.904 95 HB ILE 14 HB ILE 14 0.782 1.462 -3.413 96 1HG1 ILE 14 2HG1 ILE 14 2.585 2.921 -1.472 97 2HG1 ILE 14 1HG1 ILE 14 0.846 3.166 -1.557 98 1HG2 ILE 14 1HG2 ILE 14 2.860 0.885 -4.532 99 2HG2 ILE 14 2HG2 ILE 14 2.895 0.339 -2.856 100 3HG2 ILE 14 3HG2 ILE 14 3.780 1.790 -3.330 101 1HD1 ILE 14 1HD1 ILE 14 0.502 0.807 -0.996 102 2HD1 ILE 14 2HD1 ILE 14 1.421 1.658 0.243 103 3HD1 ILE 14 3HD1 ILE 14 2.248 0.588 -0.887 104 H PHE 15 H PHE 15 -0.367 2.839 -5.578 105 HA PHE 15 HA PHE 15 1.015 1.500 -7.690 106 1HB PHE 15 2HB PHE 15 -1.291 0.916 -7.052 107 2HB PHE 15 1HB PHE 15 -1.835 2.509 -7.564 108 HD1 PHE 15 HD1 PHE 15 -0.093 -0.516 -8.871 109 HD2 PHE 15 HD2 PHE 15 -2.642 2.791 -9.705 110 HE1 PHE 15 HE1 PHE 15 -0.467 -1.381 -11.143 111 HE2 PHE 15 HE2 PHE 15 -3.020 1.930 -11.979 112 HZ PHE 15 HZ PHE 15 -1.934 -0.160 -12.700 113 H GLU 16 H GLU 16 -0.362 4.743 -7.269 114 HA GLU 16 HA GLU 16 0.111 5.456 -10.022 115 1HB GLU 16 2HB GLU 16 -0.638 7.210 -7.681 116 2HB GLU 16 1HB GLU 16 -0.661 7.694 -9.368 117 1HG GLU 16 2HG GLU 16 -2.304 5.579 -9.509 118 2HG GLU 16 1HG GLU 16 -2.568 6.053 -7.830 119 H GLY 17 H GLY 17 1.682 6.100 -6.916 120 1HA GLY 17 2HA GLY 17 3.619 7.835 -8.288 121 2HA GLY 17 1HA GLY 17 3.365 7.753 -6.552 122 H ASN 18 H ASN 18 3.328 4.668 -7.302 123 HA ASN 18 HA ASN 18 4.730 2.910 -7.191 124 1HB ASN 18 2HB ASN 18 5.891 4.034 -9.157 125 2HB ASN 18 1HB ASN 18 7.014 4.727 -7.992 126 1HD2 ASN 18 1HD2 ASN 18 8.499 3.368 -6.943 127 2HD2 ASN 18 2HD2 ASN 18 8.825 1.769 -7.502 128 H THR 19 H THR 19 7.305 5.134 -6.384 129 HA THR 19 HA THR 19 7.032 5.393 -3.643 130 HB THR 19 HB THR 19 9.074 3.694 -3.190 131 HG1 THR 19 HG1 THR 19 7.436 2.067 -4.797 132 1HG2 THR 19 1HG2 THR 19 7.070 3.819 -1.832 133 2HG2 THR 19 2HG2 THR 19 7.423 2.134 -2.216 134 3HG2 THR 19 3HG2 THR 19 6.143 2.988 -3.080 135 HA PRO 20 HA PRO 20 8.709 5.311 -1.879 136 1HB PRO 20 2HB PRO 20 9.940 7.619 -0.735 137 2HB PRO 20 1HB PRO 20 10.509 5.951 -0.674 138 1HG PRO 20 2HG PRO 20 11.771 8.031 -2.012 139 2HG PRO 20 1HG PRO 20 12.043 6.308 -2.305 140 1HD PRO 20 2HD PRO 20 10.394 8.257 -3.836 141 2HD PRO 20 1HD PRO 20 11.343 6.874 -4.417 142 H LEU 21 H LEU 21 7.388 6.364 -0.211 143 HA LEU 21 HA LEU 21 6.437 9.043 -0.732 144 1HB LEU 21 2HB LEU 21 4.123 8.566 -0.840 145 2HB LEU 21 1HB LEU 21 4.895 7.537 -2.024 146 HG LEU 21 HG LEU 21 4.070 6.562 0.710 147 1HD1 LEU 21 1HD1 LEU 21 2.107 5.609 -0.375 148 2HD1 LEU 21 2HD1 LEU 21 2.558 6.386 -1.893 149 3HD1 LEU 21 3HD1 LEU 21 2.111 7.369 -0.497 150 1HD2 LEU 21 1HD2 LEU 21 4.195 4.355 -0.347 151 2HD2 LEU 21 2HD2 LEU 21 5.749 5.185 -0.395 152 3HD2 LEU 21 3HD2 LEU 21 4.748 5.105 -1.844 153 H SER 22 H SER 22 6.172 10.109 1.109 154 HA SER 22 HA SER 22 6.562 8.671 3.597 155 1HB SER 22 2HB SER 22 6.183 11.643 3.172 156 2HB SER 22 1HB SER 22 6.857 10.849 4.595 157 HG SER 22 HG SER 22 7.977 10.925 1.984 158 H GLU 23 H GLU 23 5.205 9.439 5.503 159 HA GLU 23 HA GLU 23 2.538 8.704 5.143 160 1HB GLU 23 2HB GLU 23 2.185 9.692 7.434 161 2HB GLU 23 1HB GLU 23 3.488 8.518 7.326 162 1HG GLU 23 2HG GLU 23 4.073 11.439 7.088 163 2HG GLU 23 1HG GLU 23 3.813 10.714 8.671 164 H ASN 24 H ASN 24 4.054 11.894 5.178 165 HA ASN 24 HA ASN 24 1.641 13.373 5.051 166 1HB ASN 24 2HB ASN 24 3.756 14.396 5.771 167 2HB ASN 24 1HB ASN 24 4.423 14.170 4.156 168 1HD2 ASN 24 1HD2 ASN 24 3.910 15.595 2.552 169 2HD2 ASN 24 2HD2 ASN 24 2.922 17.003 2.800 170 H ASP 25 H ASP 25 3.740 11.959 2.615 171 HA ASP 25 HA ASP 25 2.634 13.243 0.353 172 1HB ASP 25 2HB ASP 25 4.054 10.585 0.625 173 2HB ASP 25 1HB ASP 25 3.569 11.268 -0.921 174 H ILE 26 H ILE 26 1.912 10.190 1.959 175 HA ILE 26 HA ILE 26 -0.116 9.502 0.039 176 HB ILE 26 HB ILE 26 1.263 7.781 1.119 177 1HG1 ILE 26 2HG1 ILE 26 -1.673 7.530 1.791 178 2HG1 ILE 26 1HG1 ILE 26 -0.949 7.201 0.218 179 1HG2 ILE 26 1HG2 ILE 26 0.820 7.133 3.454 180 2HG2 ILE 26 2HG2 ILE 26 -0.188 8.568 3.636 181 3HG2 ILE 26 3HG2 ILE 26 1.536 8.737 3.308 182 1HD1 ILE 26 1HD1 ILE 26 -1.383 5.155 1.440 183 2HD1 ILE 26 2HD1 ILE 26 -0.372 5.722 2.771 184 3HD1 ILE 26 3HD1 ILE 26 0.349 5.388 1.196 185 H GLY 27 H GLY 27 -0.005 11.104 3.132 186 1HA GLY 27 2HA GLY 27 -1.656 12.714 3.676 187 2HA GLY 27 1HA GLY 27 -2.811 11.825 2.700 188 H VAL 28 H VAL 28 -1.004 9.806 4.748 189 HA VAL 28 HA VAL 28 -3.144 9.885 6.770 190 HB VAL 28 HB VAL 28 -3.006 7.474 7.053 191 1HG1 VAL 28 1HG1 VAL 28 -4.011 6.761 4.940 192 2HG1 VAL 28 2HG1 VAL 28 -3.417 8.228 4.161 193 3HG1 VAL 28 3HG1 VAL 28 -4.622 8.337 5.444 194 1HG2 VAL 28 1HG2 VAL 28 -1.723 6.069 5.496 195 2HG2 VAL 28 2HG2 VAL 28 -0.679 7.112 6.464 196 3HG2 VAL 28 3HG2 VAL 28 -1.020 7.523 4.783 197 H THR 29 H THR 29 -2.440 8.796 8.849 198 HA THR 29 HA THR 29 0.019 10.021 9.699 199 HB THR 29 HB THR 29 -0.575 9.068 11.923 200 HG1 THR 29 HG1 THR 29 -2.762 8.114 12.008 201 1HG2 THR 29 1HG2 THR 29 -1.409 11.277 11.230 202 2HG2 THR 29 2HG2 THR 29 -2.557 10.447 12.282 203 3HG2 THR 29 3HG2 THR 29 -2.842 10.511 10.543 204 H GLU 30 H GLU 30 1.639 8.779 11.001 205 HA GLU 30 HA GLU 30 2.718 6.536 9.712 206 1HB GLU 30 2HB GLU 30 2.998 7.015 12.672 207 2HB GLU 30 1HB GLU 30 4.171 6.312 11.572 208 1HG GLU 30 2HG GLU 30 4.686 8.417 10.633 209 2HG GLU 30 1HG GLU 30 3.303 9.180 11.420 210 H ASP 31 H ASP 31 0.545 6.885 12.416 211 HA ASP 31 HA ASP 31 0.289 4.260 13.272 212 1HB ASP 31 2HB ASP 31 -0.610 5.967 14.628 213 2HB ASP 31 1HB ASP 31 -1.567 6.629 13.308 214 H GLN 32 H GLN 32 -1.667 5.999 10.844 215 HA GLN 32 HA GLN 32 -3.257 3.707 10.238 216 1HB GLN 32 2HB GLN 32 -2.864 6.325 8.787 217 2HB GLN 32 1HB GLN 32 -3.970 5.074 8.239 218 1HG GLN 32 2HG GLN 32 -4.107 6.566 10.852 219 2HG GLN 32 1HG GLN 32 -5.169 6.777 9.460 220 1HE2 GLN 32 1HE2 GLN 32 -4.404 4.826 12.216 221 2HE2 GLN 32 2HE2 GLN 32 -5.777 3.774 12.106 222 H PHE 33 H PHE 33 -0.342 5.128 8.888 223 HA PHE 33 HA PHE 33 -0.183 3.574 6.541 224 1HB PHE 33 2HB PHE 33 1.200 5.643 7.274 225 2HB PHE 33 1HB PHE 33 2.222 4.486 8.115 226 HD1 PHE 33 HD1 PHE 33 3.536 2.839 6.831 227 HD2 PHE 33 HD2 PHE 33 1.254 5.872 4.911 228 HE1 PHE 33 HE1 PHE 33 4.801 2.468 4.754 229 HE2 PHE 33 HE2 PHE 33 2.512 5.507 2.831 230 HZ PHE 33 HZ PHE 33 4.288 3.801 2.750 231 H ASP 34 H ASP 34 1.184 3.129 9.773 232 HA ASP 34 HA ASP 34 2.469 0.679 9.398 233 1HB ASP 34 2HB ASP 34 2.773 2.075 11.393 234 2HB ASP 34 1HB ASP 34 1.108 1.770 11.873 235 H ASP 35 H ASP 35 -0.788 1.325 10.653 236 HA ASP 35 HA ASP 35 -1.661 -1.267 11.072 237 1HB ASP 35 2HB ASP 35 -2.877 0.759 11.783 238 2HB ASP 35 1HB ASP 35 -3.285 1.102 10.106 239 H ALA 36 H ALA 36 -2.065 0.716 8.158 240 HA ALA 36 HA ALA 36 -3.532 -1.232 6.738 241 1HB ALA 36 1HB ALA 36 -3.664 1.163 6.257 242 2HB ALA 36 2HB ALA 36 -3.273 0.219 4.821 243 3HB ALA 36 3HB ALA 36 -2.009 1.125 5.649 244 H VAL 37 H VAL 37 -0.126 -0.192 6.431 245 HA VAL 37 HA VAL 37 0.391 -1.876 4.223 246 HB VAL 37 HB VAL 37 2.337 -0.591 6.143 247 1HG1 VAL 37 1HG1 VAL 37 3.410 -2.444 5.013 248 2HG1 VAL 37 2HG1 VAL 37 3.994 -0.920 4.344 249 3HG1 VAL 37 3HG1 VAL 37 2.808 -1.876 3.455 250 1HG2 VAL 37 1HG2 VAL 37 0.915 0.992 4.929 251 2HG2 VAL 37 2HG2 VAL 37 1.394 0.251 3.404 252 3HG2 VAL 37 3HG2 VAL 37 2.590 1.087 4.393 253 H ASN 38 H ASN 38 0.923 -2.334 7.713 254 HA ASN 38 HA ASN 38 2.325 -4.776 7.463 255 1HB ASN 38 2HB ASN 38 0.694 -3.618 9.720 256 2HB ASN 38 1HB ASN 38 1.490 -5.184 9.846 257 1HD2 ASN 38 1HD2 ASN 38 1.953 -2.796 11.391 258 2HD2 ASN 38 2HD2 ASN 38 3.611 -2.356 11.153 259 H PHE 39 H PHE 39 -1.117 -4.036 7.750 260 HA PHE 39 HA PHE 39 -2.037 -6.706 7.755 261 1HB PHE 39 2HB PHE 39 -3.459 -4.816 8.413 262 2HB PHE 39 1HB PHE 39 -3.406 -4.191 6.769 263 HD1 PHE 39 HD1 PHE 39 -4.954 -4.898 5.173 264 HD2 PHE 39 HD2 PHE 39 -4.534 -7.079 8.804 265 HE1 PHE 39 HE1 PHE 39 -6.957 -6.212 4.612 266 HE2 PHE 39 HE2 PHE 39 -6.535 -8.397 8.244 267 HZ PHE 39 HZ PHE 39 -7.750 -7.966 6.146 268 H LEU 40 H LEU 40 -1.537 -4.360 5.142 269 HA LEU 40 HA LEU 40 -2.445 -5.933 3.009 270 1HB LEU 40 2HB LEU 40 -0.389 -3.732 3.139 271 2HB LEU 40 1HB LEU 40 -0.904 -4.462 1.633 272 HG LEU 40 HG LEU 40 -2.836 -3.114 3.515 273 1HD1 LEU 40 1HD1 LEU 40 -2.667 -1.160 2.053 274 2HD1 LEU 40 2HD1 LEU 40 -1.372 -1.942 1.147 275 3HD1 LEU 40 3HD1 LEU 40 -1.126 -1.502 2.836 276 1HD2 LEU 40 1HD2 LEU 40 -4.212 -2.986 1.494 277 2HD2 LEU 40 2HD2 LEU 40 -3.800 -4.656 1.888 278 3HD2 LEU 40 3HD2 LEU 40 -2.951 -3.819 0.585 279 H LYS 41 H LYS 41 0.773 -5.655 4.457 280 HA LYS 41 HA LYS 41 2.113 -7.322 2.607 281 1HB LYS 41 2HB LYS 41 3.220 -5.739 4.209 282 2HB LYS 41 1HB LYS 41 2.829 -6.854 5.510 283 1HG LYS 41 2HG LYS 41 4.148 -8.602 4.267 284 2HG LYS 41 1HG LYS 41 4.689 -7.314 3.191 285 1HD LYS 41 2HD LYS 41 6.380 -7.592 4.839 286 2HD LYS 41 1HD LYS 41 5.522 -6.101 5.236 287 1HE LYS 41 2HE LYS 41 4.199 -7.317 6.902 288 2HE LYS 41 1HE LYS 41 5.068 -8.799 6.511 289 1HZ LYS 41 1HZ LYS 41 6.210 -6.329 7.702 290 2HZ LYS 41 2HZ LYS 41 7.131 -7.668 7.219 291 3HZ LYS 41 3HZ LYS 41 6.001 -7.825 8.473 292 H ARG 42 H ARG 42 0.336 -7.948 5.566 293 HA ARG 42 HA ARG 42 1.247 -10.597 5.985 294 1HB ARG 42 2HB ARG 42 0.118 -9.085 7.670 295 2HB ARG 42 1HB ARG 42 -1.402 -9.450 6.867 296 1HG ARG 42 2HG ARG 42 -1.010 -11.857 7.344 297 2HG ARG 42 1HG ARG 42 0.415 -11.393 8.275 298 1HD ARG 42 2HD ARG 42 -1.372 -11.686 9.817 299 2HD ARG 42 1HD ARG 42 -1.086 -9.951 9.673 300 HE ARG 42 HE ARG 42 -3.059 -10.650 7.816 301 1HH1 ARG 42 1HH1 ARG 42 -2.633 -10.438 11.297 302 2HH1 ARG 42 2HH1 ARG 42 -4.334 -10.270 11.615 303 1HH2 ARG 42 1HH2 ARG 42 -5.266 -10.387 8.234 304 2HH2 ARG 42 2HH2 ARG 42 -5.839 -10.222 9.869 305 H GLU 43 H GLU 43 -1.588 -9.254 4.339 306 HA GLU 43 HA GLU 43 -2.668 -11.846 3.727 307 1HB GLU 43 2HB GLU 43 -3.425 -9.203 2.480 308 2HB GLU 43 1HB GLU 43 -4.395 -10.667 2.541 309 1HG GLU 43 2HG GLU 43 -3.631 -8.906 4.855 310 2HG GLU 43 1HG GLU 43 -5.228 -9.076 4.134 311 H GLY 44 H GLY 44 -0.414 -9.695 2.272 312 1HA GLY 44 2HA GLY 44 1.129 -10.396 0.641 313 2HA GLY 44 1HA GLY 44 0.010 -11.661 0.158 314 H TYR 45 H TYR 45 -0.710 -8.210 0.497 315 HA TYR 45 HA TYR 45 -1.660 -8.201 -2.247 316 1HB TYR 45 2HB TYR 45 -1.784 -6.106 -0.075 317 2HB TYR 45 1HB TYR 45 -2.433 -5.878 -1.697 318 HD1 TYR 45 HD1 TYR 45 -3.820 -8.253 -2.366 319 HD2 TYR 45 HD2 TYR 45 -3.497 -6.406 1.453 320 HE1 TYR 45 HE1 TYR 45 -5.934 -9.306 -1.686 321 HE2 TYR 45 HE2 TYR 45 -5.614 -7.456 2.143 322 HH TYR 45 HH TYR 45 -6.985 -10.011 0.568 323 H ILE 46 H ILE 46 0.989 -6.892 -0.372 324 HA ILE 46 HA ILE 46 2.310 -6.242 -2.895 325 HB ILE 46 HB ILE 46 3.210 -4.160 -2.185 326 1HG1 ILE 46 2HG1 ILE 46 3.509 -4.691 0.216 327 2HG1 ILE 46 1HG1 ILE 46 2.803 -3.101 -0.040 328 1HG2 ILE 46 1HG2 ILE 46 0.994 -4.021 -3.159 329 2HG2 ILE 46 2HG2 ILE 46 1.256 -2.731 -1.987 330 3HG2 ILE 46 3HG2 ILE 46 0.270 -4.126 -1.554 331 1HD1 ILE 46 1HD1 ILE 46 0.598 -4.027 0.485 332 2HD1 ILE 46 2HD1 ILE 46 1.744 -4.200 1.813 333 3HD1 ILE 46 3HD1 ILE 46 1.349 -5.589 0.802 334 H ILE 47 H ILE 47 4.663 -6.115 -2.663 335 HA ILE 47 HA ILE 47 5.671 -7.422 -0.233 336 HB ILE 47 HB ILE 47 7.268 -8.744 -1.512 337 1HG1 ILE 47 2HG1 ILE 47 7.286 -7.159 -3.519 338 2HG1 ILE 47 1HG1 ILE 47 7.356 -8.879 -3.870 339 1HG2 ILE 47 1HG2 ILE 47 5.725 -10.387 -2.470 340 2HG2 ILE 47 2HG2 ILE 47 4.422 -9.202 -2.379 341 3HG2 ILE 47 3HG2 ILE 47 5.186 -9.788 -0.901 342 1HD1 ILE 47 1HD1 ILE 47 5.887 -7.757 -5.419 343 2HD1 ILE 47 2HD1 ILE 47 4.934 -7.106 -4.085 344 3HD1 ILE 47 3HD1 ILE 47 4.953 -8.844 -4.390 345 H GLY 48 H GLY 48 7.964 -7.024 0.159 346 1HA GLY 48 2HA GLY 48 9.955 -5.823 -0.117 347 2HA GLY 48 1HA GLY 48 9.195 -4.893 -1.399 348 H VAL 49 H VAL 49 7.670 -5.368 1.690 349 HA VAL 49 HA VAL 49 7.422 -2.567 2.134 350 HB VAL 49 HB VAL 49 6.930 -4.868 4.036 351 1HG1 VAL 49 1HG1 VAL 49 5.591 -3.275 5.325 352 2HG1 VAL 49 2HG1 VAL 49 6.056 -1.985 4.218 353 3HG1 VAL 49 3HG1 VAL 49 7.274 -2.760 5.229 354 1HG2 VAL 49 1HG2 VAL 49 4.576 -4.557 3.449 355 2HG2 VAL 49 2HG2 VAL 49 5.540 -4.963 2.030 356 3HG2 VAL 49 3HG2 VAL 49 5.026 -3.298 2.301 357 H HIS 50 H HIS 50 9.095 -1.336 2.684 358 HA HIS 50 HA HIS 50 11.368 -2.546 4.035 359 1HB HIS 50 2HB HIS 50 11.511 -0.992 1.975 360 2HB HIS 50 1HB HIS 50 11.218 0.316 3.117 361 HD1 HIS 50 HD1 HIS 50 13.122 0.871 4.792 362 HD2 HIS 50 HD2 HIS 50 14.027 -2.187 2.133 363 HE1 HIS 50 HE1 HIS 50 15.601 0.511 5.000 364 HE2 HIS 50 HE2 HIS 50 16.070 -1.502 3.557 365 H TYR 51 H TYR 51 11.846 -2.263 6.089 366 HA TYR 51 HA TYR 51 10.390 -0.211 7.620 367 1HB TYR 51 2HB TYR 51 11.831 -2.712 8.542 368 2HB TYR 51 1HB TYR 51 11.071 -1.543 9.618 369 HD1 TYR 51 HD1 TYR 51 8.725 -1.579 10.009 370 HD2 TYR 51 HD2 TYR 51 10.399 -4.050 6.977 371 HE1 TYR 51 HE1 TYR 51 6.580 -2.763 9.795 372 HE2 TYR 51 HE2 TYR 51 8.257 -5.237 6.753 373 HH TYR 51 HH TYR 51 5.357 -4.126 8.316 374 H SER 52 H SER 52 11.544 1.207 8.962 375 HA SER 52 HA SER 52 14.455 1.213 8.623 376 1HB SER 52 2HB SER 52 13.424 2.700 6.900 377 2HB SER 52 1HB SER 52 12.717 3.655 8.201 378 HG SER 52 HG SER 52 14.622 4.620 7.571 379 H ASP 53 H ASP 53 11.758 2.906 10.139 380 HA ASP 53 HA ASP 53 13.346 3.247 12.587 381 1HB ASP 53 2HB ASP 53 11.725 4.947 13.216 382 2HB ASP 53 1HB ASP 53 12.296 5.274 11.583 383 H ASP 54 H ASP 54 12.047 0.789 11.609 384 HA ASP 54 HA ASP 54 11.087 -1.044 12.542 385 1HB ASP 54 2HB ASP 54 11.733 -0.308 14.770 386 2HB ASP 54 1HB ASP 54 10.347 0.774 14.846 387 H ARG 55 H ARG 55 9.524 1.843 11.743 388 HA ARG 55 HA ARG 55 7.002 0.379 11.361 389 1HB ARG 55 2HB ARG 55 7.634 3.319 11.420 390 2HB ARG 55 1HB ARG 55 6.187 2.734 10.611 391 1HG ARG 55 2HG ARG 55 5.422 3.281 12.720 392 2HG ARG 55 1HG ARG 55 5.697 1.543 12.845 393 1HD ARG 55 2HD ARG 55 6.548 2.754 14.801 394 2HD ARG 55 1HD ARG 55 7.839 1.936 13.916 395 HE ARG 55 HE ARG 55 8.341 4.137 12.905 396 1HH1 ARG 55 1HH1 ARG 55 6.571 4.020 15.932 397 2HH1 ARG 55 2HH1 ARG 55 7.086 5.605 16.436 398 1HH2 ARG 55 1HH2 ARG 55 8.999 6.208 13.544 399 2HH2 ARG 55 2HH2 ARG 55 8.470 6.858 15.077 400 HA PRO 56 HA PRO 56 7.634 0.002 7.032 401 1HB PRO 56 2HB PRO 56 4.928 0.996 6.459 402 2HB PRO 56 1HB PRO 56 5.601 -0.618 6.212 403 1HG PRO 56 2HG PRO 56 3.774 -0.108 8.127 404 2HG PRO 56 1HG PRO 56 5.055 -1.316 8.341 405 1HD PRO 56 2HD PRO 56 4.892 1.486 9.398 406 2HD PRO 56 1HD PRO 56 5.463 0.009 10.204 407 H HIS 57 H HIS 57 8.837 1.329 5.865 408 HA HIS 57 HA HIS 57 7.675 3.878 5.002 409 1HB HIS 57 2HB HIS 57 10.491 3.523 6.057 410 2HB HIS 57 1HB HIS 57 9.985 4.907 5.097 411 HD1 HIS 57 HD1 HIS 57 8.582 6.719 6.273 412 HD2 HIS 57 HD2 HIS 57 9.483 3.447 8.675 413 HE1 HIS 57 HE1 HIS 57 7.999 7.413 8.616 414 HE2 HIS 57 HE2 HIS 57 8.757 5.497 10.066 415 H LEU 58 H LEU 58 7.366 3.525 2.929 416 HA LEU 58 HA LEU 58 8.916 1.575 1.495 417 1HB LEU 58 2HB LEU 58 6.720 3.387 0.523 418 2HB LEU 58 1HB LEU 58 7.344 1.973 -0.307 419 HG LEU 58 HG LEU 58 5.857 1.955 2.322 420 1HD1 LEU 58 1HD1 LEU 58 4.372 2.442 0.488 421 2HD1 LEU 58 2HD1 LEU 58 4.119 0.781 1.028 422 3HD1 LEU 58 3HD1 LEU 58 5.036 1.100 -0.445 423 1HD2 LEU 58 1HD2 LEU 58 6.890 -0.330 0.652 424 2HD2 LEU 58 2HD2 LEU 58 5.886 -0.475 2.096 425 3HD2 LEU 58 3HD2 LEU 58 7.520 0.180 2.218 426 H TYR 59 H TYR 59 10.660 1.944 0.344 427 HA TYR 59 HA TYR 59 11.302 4.715 -0.380 428 1HB TYR 59 2HB TYR 59 13.112 2.347 0.110 429 2HB TYR 59 1HB TYR 59 13.668 3.893 -0.526 430 HD1 TYR 59 HD1 TYR 59 13.100 5.990 0.927 431 HD2 TYR 59 HD2 TYR 59 13.103 2.001 2.404 432 HE1 TYR 59 HE1 TYR 59 13.353 6.843 3.220 433 HE2 TYR 59 HE2 TYR 59 13.356 2.844 4.695 434 HH TYR 59 HH TYR 59 12.888 6.104 5.520 435 H LYS 60 H LYS 60 13.233 4.343 -2.256 436 HA LYS 60 HA LYS 60 11.665 4.337 -4.556 437 1HB LYS 60 2HB LYS 60 14.643 3.878 -4.479 438 2HB LYS 60 1HB LYS 60 13.706 4.585 -5.787 439 1HG LYS 60 2HG LYS 60 13.275 6.550 -4.513 440 2HG LYS 60 1HG LYS 60 13.979 5.827 -3.063 441 1HD LYS 60 2HD LYS 60 16.151 5.685 -4.262 442 2HD LYS 60 1HD LYS 60 15.408 6.540 -5.616 443 1HE LYS 60 2HE LYS 60 15.036 8.482 -4.277 444 2HE LYS 60 1HE LYS 60 15.537 7.634 -2.814 445 1HZ LYS 60 1HZ LYS 60 17.264 8.315 -5.134 446 2HZ LYS 60 2HZ LYS 60 17.765 7.417 -3.786 447 3HZ LYS 60 3HZ LYS 60 17.304 9.040 -3.601 448 H LEU 61 H LEU 61 13.996 1.856 -3.483 449 HA LEU 61 HA LEU 61 12.803 0.050 -5.473 450 1HB LEU 61 2HB LEU 61 15.577 0.120 -4.295 451 2HB LEU 61 1HB LEU 61 14.960 -1.275 -5.155 452 HG LEU 61 HG LEU 61 16.265 -0.095 -6.715 453 1HD1 LEU 61 1HD1 LEU 61 13.400 0.695 -7.199 454 2HD1 LEU 61 2HD1 LEU 61 14.141 -0.849 -7.620 455 3HD1 LEU 61 3HD1 LEU 61 14.677 0.633 -8.413 456 1HD2 LEU 61 1HD2 LEU 61 16.003 2.292 -7.196 457 2HD2 LEU 61 2HD2 LEU 61 16.500 2.003 -5.530 458 3HD2 LEU 61 3HD2 LEU 61 14.824 2.419 -5.891 459 H GLY 62 H GLY 62 11.931 -1.832 -4.843 460 1HA GLY 62 2HA GLY 62 12.235 -3.659 -3.081 461 2HA GLY 62 1HA GLY 62 11.905 -2.359 -1.947 462 HA PRO 63 HA PRO 63 7.601 -2.954 -2.051 463 1HB PRO 63 2HB PRO 63 7.048 -0.194 -2.948 464 2HB PRO 63 1HB PRO 63 6.612 -0.997 -1.437 465 1HG PRO 63 2HG PRO 63 8.515 0.871 -1.495 466 2HG PRO 63 1HG PRO 63 8.664 -0.562 -0.458 467 1HD PRO 63 2HD PRO 63 9.940 -0.003 -3.110 468 2HD PRO 63 1HD PRO 63 10.656 -0.706 -1.645 469 H GLU 64 H GLU 64 6.666 -4.180 -3.511 470 HA GLU 64 HA GLU 64 5.812 -2.955 -6.045 471 1HB GLU 64 2HB GLU 64 6.969 -5.720 -5.659 472 2HB GLU 64 1HB GLU 64 6.059 -5.249 -7.085 473 1HG GLU 64 2HG GLU 64 7.724 -3.540 -7.588 474 2HG GLU 64 1HG GLU 64 8.634 -4.007 -6.150 475 H LEU 65 H LEU 65 3.831 -3.875 -6.900 476 HA LEU 65 HA LEU 65 2.112 -4.914 -4.766 477 1HB LEU 65 2HB LEU 65 1.517 -3.726 -7.474 478 2HB LEU 65 1HB LEU 65 0.286 -4.504 -6.503 479 HG LEU 65 HG LEU 65 0.863 -2.801 -4.683 480 1HD1 LEU 65 1HD1 LEU 65 2.987 -2.032 -5.588 481 2HD1 LEU 65 2HD1 LEU 65 1.837 -0.700 -5.461 482 3HD1 LEU 65 3HD1 LEU 65 2.168 -1.433 -7.032 483 1HD2 LEU 65 1HD2 LEU 65 -0.560 -1.089 -5.727 484 2HD2 LEU 65 2HD2 LEU 65 -1.192 -2.719 -5.963 485 3HD2 LEU 65 3HD2 LEU 65 -0.364 -1.895 -7.284 486 H THR 66 H THR 66 0.967 -6.844 -4.944 487 HA THR 66 HA THR 66 2.005 -8.711 -6.934 488 HB THR 66 HB THR 66 0.847 -10.449 -5.645 489 HG1 THR 66 HG1 THR 66 -0.085 -9.686 -3.558 490 1HG2 THR 66 1HG2 THR 66 2.432 -8.602 -3.857 491 2HG2 THR 66 2HG2 THR 66 3.116 -9.796 -4.958 492 3HG2 THR 66 3HG2 THR 66 2.146 -10.321 -3.583 493 H GLU 67 H GLU 67 0.300 -10.252 -7.874 494 HA GLU 67 HA GLU 67 -1.669 -8.730 -9.248 495 1HB GLU 67 2HB GLU 67 -2.294 -10.750 -10.337 496 2HB GLU 67 1HB GLU 67 -0.553 -10.838 -10.115 497 1HG GLU 67 2HG GLU 67 -2.538 -12.151 -8.278 498 2HG GLU 67 1HG GLU 67 -1.801 -12.948 -9.662 499 H LYS 68 H LYS 68 -1.578 -10.528 -6.304 500 HA LYS 68 HA LYS 68 -4.296 -10.982 -5.849 501 1HB LYS 68 2HB LYS 68 -2.199 -11.676 -4.470 502 2HB LYS 68 1HB LYS 68 -2.423 -10.132 -3.657 503 1HG LYS 68 2HG LYS 68 -3.486 -11.820 -2.359 504 2HG LYS 68 1HG LYS 68 -4.746 -10.834 -3.108 505 1HD LYS 68 2HD LYS 68 -5.012 -12.515 -4.868 506 2HD LYS 68 1HD LYS 68 -3.763 -13.504 -4.113 507 1HE LYS 68 2HE LYS 68 -5.194 -13.569 -2.055 508 2HE LYS 68 1HE LYS 68 -6.464 -12.788 -2.995 509 1HZ LYS 68 1HZ LYS 68 -6.805 -15.148 -2.998 510 2HZ LYS 68 2HZ LYS 68 -5.229 -15.426 -3.552 511 3HZ LYS 68 3HZ LYS 68 -6.355 -14.668 -4.560 512 H GLY 69 H GLY 69 -2.261 -8.182 -5.051 513 1HA GLY 69 2HA GLY 69 -4.457 -6.617 -4.067 514 2HA GLY 69 1HA GLY 69 -2.833 -6.038 -4.408 515 H GLU 70 H GLU 70 -2.782 -6.941 -7.126 516 HA GLU 70 HA GLU 70 -3.904 -4.708 -8.422 517 1HB GLU 70 2HB GLU 70 -1.913 -6.186 -9.104 518 2HB GLU 70 1HB GLU 70 -3.109 -7.275 -9.788 519 1HG GLU 70 2HG GLU 70 -3.168 -4.414 -10.587 520 2HG GLU 70 1HG GLU 70 -1.906 -5.453 -11.242 521 H ASN 71 H ASN 71 -4.944 -8.103 -8.232 522 HA ASN 71 HA ASN 71 -7.274 -7.745 -9.836 523 1HB ASN 71 2HB ASN 71 -6.395 -9.891 -7.914 524 2HB ASN 71 1HB ASN 71 -8.011 -9.912 -8.603 525 1HD2 ASN 71 1HD2 ASN 71 -4.914 -9.037 -10.116 526 2HD2 ASN 71 2HD2 ASN 71 -4.991 -10.252 -11.345 527 H TYR 72 H TYR 72 -6.525 -7.324 -6.466 528 HA TYR 72 HA TYR 72 -9.128 -7.309 -5.405 529 1HB TYR 72 2HB TYR 72 -7.175 -7.489 -3.982 530 2HB TYR 72 1HB TYR 72 -6.606 -5.906 -4.493 531 HD1 TYR 72 HD1 TYR 72 -9.677 -7.409 -2.965 532 HD2 TYR 72 HD2 TYR 72 -6.904 -4.192 -3.011 533 HE1 TYR 72 HE1 TYR 72 -10.838 -6.390 -1.052 534 HE2 TYR 72 HE2 TYR 72 -8.051 -3.158 -1.104 535 HH TYR 72 HH TYR 72 -10.330 -3.207 -0.077 536 H LEU 73 H LEU 73 -7.189 -4.833 -6.941 537 HA LEU 73 HA LEU 73 -8.740 -2.587 -6.283 538 1HB LEU 73 2HB LEU 73 -6.880 -3.140 -8.585 539 2HB LEU 73 1HB LEU 73 -7.629 -1.577 -8.316 540 HG LEU 73 HG LEU 73 -5.874 -2.934 -6.270 541 1HD1 LEU 73 1HD1 LEU 73 -4.107 -1.401 -6.975 542 2HD1 LEU 73 2HD1 LEU 73 -5.129 -0.824 -8.294 543 3HD1 LEU 73 3HD1 LEU 73 -4.563 -2.496 -8.280 544 1HD2 LEU 73 1HD2 LEU 73 -6.831 -0.090 -6.558 545 2HD2 LEU 73 2HD2 LEU 73 -5.760 -0.701 -5.298 546 3HD2 LEU 73 3HD2 LEU 73 -7.427 -1.269 -5.391 547 H LYS 74 H LYS 74 -9.343 -5.126 -8.488 548 HA LYS 74 HA LYS 74 -10.894 -3.830 -10.430 549 1HB LYS 74 2HB LYS 74 -10.214 -6.017 -10.928 550 2HB LYS 74 1HB LYS 74 -10.792 -6.649 -9.394 551 1HG LYS 74 2HG LYS 74 -13.088 -6.398 -10.127 552 2HG LYS 74 1HG LYS 74 -12.543 -5.679 -11.644 553 1HD LYS 74 2HD LYS 74 -11.571 -7.711 -12.366 554 2HD LYS 74 1HD LYS 74 -11.701 -8.428 -10.759 555 1HE LYS 74 2HE LYS 74 -13.388 -9.276 -12.381 556 2HE LYS 74 1HE LYS 74 -14.083 -8.553 -10.932 557 1HZ LYS 74 1HZ LYS 74 -15.190 -7.917 -13.046 558 2HZ LYS 74 2HZ LYS 74 -13.774 -7.093 -13.500 559 3HZ LYS 74 3HZ LYS 74 -14.641 -6.601 -12.126 560 H GLU 75 H GLU 75 -11.770 -5.111 -7.250 561 HA GLU 75 HA GLU 75 -14.588 -4.631 -7.729 562 1HB GLU 75 2HB GLU 75 -13.116 -5.664 -5.306 563 2HB GLU 75 1HB GLU 75 -14.862 -5.469 -5.391 564 1HG GLU 75 2HG GLU 75 -13.167 -7.288 -7.091 565 2HG GLU 75 1HG GLU 75 -14.282 -7.764 -5.810 566 H ASN 76 H ASN 76 -12.054 -3.318 -5.612 567 HA ASN 76 HA ASN 76 -13.964 -1.439 -4.478 568 1HB ASN 76 2HB ASN 76 -12.233 -0.868 -2.886 569 2HB ASN 76 1HB ASN 76 -12.374 -2.618 -2.996 570 1HD2 ASN 76 1HD2 ASN 76 -10.160 -1.066 -2.045 571 2HD2 ASN 76 2HD2 ASN 76 -8.810 -1.462 -3.044 572 H GLY 77 H GLY 77 -12.378 -1.458 -7.233 573 1HA GLY 77 2HA GLY 77 -10.839 0.845 -7.394 574 2HA GLY 77 1HA GLY 77 -11.695 0.106 -8.733 575 H THR 78 H THR 78 -14.301 0.623 -7.172 576 HA THR 78 HA THR 78 -14.814 3.158 -8.353 577 HB THR 78 HB THR 78 -16.686 1.753 -8.331 578 HG1 THR 78 HG1 THR 78 -17.531 3.702 -7.852 579 1HG2 THR 78 1HG2 THR 78 -16.536 1.414 -5.338 580 2HG2 THR 78 2HG2 THR 78 -15.834 0.264 -6.477 581 3HG2 THR 78 3HG2 THR 78 -17.574 0.559 -6.477 582 H TRP 79 H TRP 79 -14.929 2.162 -4.911 583 HA TRP 79 HA TRP 79 -14.849 3.390 -2.986 584 1HB TRP 79 2HB TRP 79 -12.457 3.069 -3.771 585 2HB TRP 79 1HB TRP 79 -12.516 4.718 -4.382 586 HD1 TRP 79 HD1 TRP 79 -13.491 3.161 -0.949 587 HE1 TRP 79 HE1 TRP 79 -12.447 4.617 0.900 588 HE3 TRP 79 HE3 TRP 79 -11.060 6.573 -3.880 589 HZ2 TRP 79 HZ2 TRP 79 -10.788 6.902 1.087 590 HZ3 TRP 79 HZ3 TRP 79 -9.767 8.360 -2.789 591 HH2 TRP 79 HH2 TRP 79 -9.635 8.520 -0.357 592 H SER 80 H SER 80 -13.689 6.116 -2.810 593 HA SER 80 HA SER 80 -14.369 8.274 -2.735 594 1HB SER 80 2HB SER 80 -15.268 7.662 -5.562 595 2HB SER 80 1HB SER 80 -14.944 9.264 -4.900 596 HG SER 80 HG SER 80 -13.199 7.340 -5.800 597 H LYS 81 H LYS 81 -16.160 6.932 -1.309 598 HA LYS 81 HA LYS 81 -18.792 7.159 -2.407 599 1HB LYS 81 2HB LYS 81 -18.255 5.425 -0.731 600 2HB LYS 81 1HB LYS 81 -18.045 6.690 0.480 601 1HG LYS 81 2HG LYS 81 -20.346 7.344 0.277 602 2HG LYS 81 1HG LYS 81 -20.584 6.225 -1.065 603 1HD LYS 81 2HD LYS 81 -20.142 4.344 0.446 604 2HD LYS 81 1HD LYS 81 -19.946 5.478 1.788 605 1HE LYS 81 2HE LYS 81 -22.239 6.246 1.488 606 2HE LYS 81 1HE LYS 81 -22.435 5.162 0.113 607 1HZ LYS 81 1HZ LYS 81 -23.413 4.262 2.128 608 2HZ LYS 81 2HZ LYS 81 -21.910 4.311 2.908 609 3HZ LYS 81 3HZ LYS 81 -22.144 3.281 1.580 610 H ALA 82 H ALA 82 -18.610 9.321 -3.035 611 HA ALA 82 HA ALA 82 -20.022 11.007 -1.158 612 1HB ALA 82 1HB ALA 82 -18.580 12.966 -1.640 613 2HB ALA 82 2HB ALA 82 -17.452 11.903 -2.481 614 3HB ALA 82 3HB ALA 82 -17.725 11.707 -0.751 Start of MODEL 4 1 H LYS 5 H LYS 5 -11.362 0.388 4.099 2 HA LYS 5 HA LYS 5 -11.845 -0.287 1.291 3 1HB LYS 5 2HB LYS 5 -13.268 1.954 2.754 4 2HB LYS 5 1HB LYS 5 -13.459 1.525 1.060 5 1HG LYS 5 2HG LYS 5 -14.218 -0.771 1.967 6 2HG LYS 5 1HG LYS 5 -14.436 0.091 3.491 7 1HD LYS 5 2HD LYS 5 -16.526 0.062 2.302 8 2HD LYS 5 1HD LYS 5 -15.895 1.711 2.311 9 1HE LYS 5 2HE LYS 5 -15.074 1.446 0.049 10 2HE LYS 5 1HE LYS 5 -15.573 -0.243 0.034 11 1HZ LYS 5 1HZ LYS 5 -17.360 2.122 0.195 12 2HZ LYS 5 2HZ LYS 5 -17.882 0.514 0.301 13 3HZ LYS 5 3HZ LYS 5 -17.173 1.083 -1.131 14 H LEU 6 H LEU 6 -9.951 1.065 3.542 15 HA LEU 6 HA LEU 6 -9.125 3.418 1.996 16 1HB LEU 6 2HB LEU 6 -8.843 2.597 4.857 17 2HB LEU 6 1HB LEU 6 -7.661 3.695 4.176 18 HG LEU 6 HG LEU 6 -9.403 4.898 5.384 19 1HD1 LEU 6 1HD1 LEU 6 -8.345 6.026 3.543 20 2HD1 LEU 6 2HD1 LEU 6 -10.053 6.468 3.604 21 3HD1 LEU 6 3HD1 LEU 6 -9.482 5.307 2.403 22 1HD2 LEU 6 1HD2 LEU 6 -11.243 3.330 5.076 23 2HD2 LEU 6 2HD2 LEU 6 -11.313 3.738 3.361 24 3HD2 LEU 6 3HD2 LEU 6 -11.700 4.958 4.574 25 H ARG 7 H ARG 7 -8.219 0.212 2.753 26 HA ARG 7 HA ARG 7 -5.390 0.550 2.702 27 1HB ARG 7 2HB ARG 7 -7.097 -1.911 2.256 28 2HB ARG 7 1HB ARG 7 -5.367 -1.938 2.457 29 1HG ARG 7 2HG ARG 7 -7.430 -1.179 4.486 30 2HG ARG 7 1HG ARG 7 -6.300 -2.534 4.538 31 1HD ARG 7 2HD ARG 7 -4.433 -0.947 4.684 32 2HD ARG 7 1HD ARG 7 -5.580 0.389 4.664 33 HE ARG 7 HE ARG 7 -5.526 -1.627 6.818 34 1HH1 ARG 7 1HH1 ARG 7 -5.782 1.674 5.710 35 2HH1 ARG 7 2HH1 ARG 7 -5.901 2.353 7.305 36 1HH2 ARG 7 1HH2 ARG 7 -5.609 -0.730 8.952 37 2HH2 ARG 7 2HH2 ARG 7 -5.779 0.984 9.133 38 H TYR 8 H TYR 8 -7.872 -0.174 0.313 39 HA TYR 8 HA TYR 8 -6.289 -0.530 -1.947 40 1HB TYR 8 2HB TYR 8 -8.600 -0.896 -2.244 41 2HB TYR 8 1HB TYR 8 -9.025 0.679 -1.580 42 HD1 TYR 8 HD1 TYR 8 -7.315 -0.914 -4.484 43 HD2 TYR 8 HD2 TYR 8 -9.407 2.480 -3.005 44 HE1 TYR 8 HE1 TYR 8 -7.356 0.041 -6.751 45 HE2 TYR 8 HE2 TYR 8 -9.456 3.447 -5.263 46 HH TYR 8 HH TYR 8 -8.549 1.641 -8.062 47 H ALA 9 H ALA 9 -7.311 2.463 -0.363 48 HA ALA 9 HA ALA 9 -6.459 4.241 -2.368 49 1HB ALA 9 1HB ALA 9 -6.593 4.752 0.602 50 2HB ALA 9 2HB ALA 9 -7.950 4.883 -0.517 51 3HB ALA 9 3HB ALA 9 -6.569 5.970 -0.677 52 H ILE 10 H ILE 10 -4.789 2.739 0.339 53 HA ILE 10 HA ILE 10 -2.364 4.181 -0.107 54 HB ILE 10 HB ILE 10 -2.883 1.661 1.467 55 1HG1 ILE 10 2HG1 ILE 10 -2.637 4.596 2.146 56 2HG1 ILE 10 1HG1 ILE 10 -4.036 3.552 2.374 57 1HG2 ILE 10 1HG2 ILE 10 -0.540 1.718 0.784 58 2HG2 ILE 10 2HG2 ILE 10 -0.693 2.050 2.508 59 3HG2 ILE 10 3HG2 ILE 10 -0.393 3.371 1.380 60 1HD1 ILE 10 1HD1 ILE 10 -2.933 4.055 4.472 61 2HD1 ILE 10 2HD1 ILE 10 -1.433 3.356 3.862 62 3HD1 ILE 10 3HD1 ILE 10 -2.848 2.335 4.106 63 H LEU 11 H LEU 11 -3.617 1.093 -1.352 64 HA LEU 11 HA LEU 11 -1.243 0.424 -2.764 65 1HB LEU 11 2HB LEU 11 -4.131 -0.273 -3.138 66 2HB LEU 11 1HB LEU 11 -3.000 -0.613 -4.433 67 HG LEU 11 HG LEU 11 -1.641 -1.870 -2.632 68 1HD1 LEU 11 1HD1 LEU 11 -2.883 -1.038 -0.706 69 2HD1 LEU 11 2HD1 LEU 11 -2.956 -2.797 -0.820 70 3HD1 LEU 11 3HD1 LEU 11 -4.342 -1.824 -1.310 71 1HD2 LEU 11 1HD2 LEU 11 -2.910 -3.904 -3.026 72 2HD2 LEU 11 2HD2 LEU 11 -2.801 -2.941 -4.500 73 3HD2 LEU 11 3HD2 LEU 11 -4.295 -2.954 -3.562 74 H LYS 12 H LYS 12 -3.943 2.529 -3.389 75 HA LYS 12 HA LYS 12 -3.449 3.186 -6.072 76 1HB LYS 12 2HB LYS 12 -5.549 3.649 -4.812 77 2HB LYS 12 1HB LYS 12 -4.704 4.887 -3.901 78 1HG LYS 12 2HG LYS 12 -4.816 5.082 -6.877 79 2HG LYS 12 1HG LYS 12 -6.231 5.511 -5.916 80 1HD LYS 12 2HD LYS 12 -4.605 6.992 -4.570 81 2HD LYS 12 1HD LYS 12 -3.512 6.785 -5.942 82 1HE LYS 12 2HE LYS 12 -5.315 7.622 -7.433 83 2HE LYS 12 1HE LYS 12 -6.298 7.943 -6.007 84 1HZ LYS 12 1HZ LYS 12 -4.422 9.416 -5.250 85 2HZ LYS 12 2HZ LYS 12 -5.286 9.965 -6.591 86 3HZ LYS 12 3HZ LYS 12 -3.757 9.255 -6.804 87 H GLU 13 H GLU 13 -2.477 4.885 -3.076 88 HA GLU 13 HA GLU 13 -1.106 6.983 -4.336 89 1HB GLU 13 2HB GLU 13 -0.052 7.386 -2.165 90 2HB GLU 13 1HB GLU 13 -1.770 7.070 -1.982 91 1HG GLU 13 2HG GLU 13 -1.283 4.790 -1.278 92 2HG GLU 13 1HG GLU 13 0.441 5.089 -1.486 93 H ILE 14 H ILE 14 -0.014 3.808 -3.304 94 HA ILE 14 HA ILE 14 2.749 4.332 -3.787 95 HB ILE 14 HB ILE 14 1.193 1.803 -3.283 96 1HG1 ILE 14 2HG1 ILE 14 3.258 3.241 -1.608 97 2HG1 ILE 14 1HG1 ILE 14 1.527 3.522 -1.475 98 1HG2 ILE 14 1HG2 ILE 14 4.182 2.075 -3.614 99 2HG2 ILE 14 2HG2 ILE 14 3.089 1.195 -4.681 100 3HG2 ILE 14 3HG2 ILE 14 3.343 0.641 -3.027 101 1HD1 ILE 14 1HD1 ILE 14 1.193 1.208 -0.827 102 2HD1 ILE 14 2HD1 ILE 14 2.323 2.026 0.251 103 3HD1 ILE 14 3HD1 ILE 14 2.926 0.910 -0.975 104 H PHE 15 H PHE 15 0.188 2.715 -5.618 105 HA PHE 15 HA PHE 15 1.782 1.593 -7.622 106 1HB PHE 15 2HB PHE 15 -0.607 1.022 -7.190 107 2HB PHE 15 1HB PHE 15 -1.070 2.564 -7.898 108 HD1 PHE 15 HD1 PHE 15 -1.248 2.830 -10.231 109 HD2 PHE 15 HD2 PHE 15 0.510 -0.700 -8.624 110 HE1 PHE 15 HE1 PHE 15 -1.291 1.799 -12.462 111 HE2 PHE 15 HE2 PHE 15 0.467 -1.739 -10.856 112 HZ PHE 15 HZ PHE 15 -0.431 -0.486 -12.778 113 H GLU 16 H GLU 16 0.145 4.757 -7.522 114 HA GLU 16 HA GLU 16 1.317 5.423 -10.110 115 1HB GLU 16 2HB GLU 16 -0.072 7.471 -9.957 116 2HB GLU 16 1HB GLU 16 -1.004 5.986 -9.853 117 1HG GLU 16 2HG GLU 16 -0.980 6.257 -7.367 118 2HG GLU 16 1HG GLU 16 -0.272 7.852 -7.618 119 H GLY 17 H GLY 17 1.771 6.097 -6.741 120 1HA GLY 17 2HA GLY 17 3.201 8.548 -7.092 121 2HA GLY 17 1HA GLY 17 3.117 7.595 -5.622 122 H ASN 18 H ASN 18 4.088 5.199 -7.142 123 HA ASN 18 HA ASN 18 5.984 4.178 -7.868 124 1HB ASN 18 2HB ASN 18 6.381 5.982 -9.441 125 2HB ASN 18 1HB ASN 18 7.078 6.984 -8.174 126 1HD2 ASN 18 1HD2 ASN 18 7.545 4.121 -10.136 127 2HD2 ASN 18 2HD2 ASN 18 9.258 4.034 -9.938 128 H THR 19 H THR 19 5.982 6.400 -5.284 129 HA THR 19 HA THR 19 6.830 6.410 -3.211 130 HB THR 19 HB THR 19 7.532 4.339 -2.135 131 HG1 THR 19 HG1 THR 19 8.007 3.533 -4.706 132 1HG2 THR 19 1HG2 THR 19 5.149 3.961 -3.941 133 2HG2 THR 19 2HG2 THR 19 5.152 4.779 -2.379 134 3HG2 THR 19 3HG2 THR 19 5.481 3.048 -2.467 135 HA PRO 20 HA PRO 20 8.034 5.515 -1.291 136 1HB PRO 20 2HB PRO 20 9.551 6.816 0.502 137 2HB PRO 20 1HB PRO 20 10.013 5.233 -0.140 138 1HG PRO 20 2HG PRO 20 11.011 7.951 -0.887 139 2HG PRO 20 1HG PRO 20 11.915 6.438 -0.696 140 1HD PRO 20 2HD PRO 20 11.117 7.476 -3.116 141 2HD PRO 20 1HD PRO 20 11.451 5.758 -2.826 142 H LEU 21 H LEU 21 6.527 6.746 -0.133 143 HA LEU 21 HA LEU 21 6.721 9.662 -0.351 144 1HB LEU 21 2HB LEU 21 4.489 9.969 -0.958 145 2HB LEU 21 1HB LEU 21 5.021 8.654 -1.980 146 HG LEU 21 HG LEU 21 3.460 8.226 0.565 147 1HD1 LEU 21 1HD1 LEU 21 2.184 9.605 -1.012 148 2HD1 LEU 21 2HD1 LEU 21 1.490 7.994 -0.831 149 3HD1 LEU 21 3HD1 LEU 21 2.436 8.390 -2.267 150 1HD2 LEU 21 1HD2 LEU 21 3.962 6.448 -1.822 151 2HD2 LEU 21 2HD2 LEU 21 2.979 6.044 -0.414 152 3HD2 LEU 21 3HD2 LEU 21 4.718 6.284 -0.238 153 H SER 22 H SER 22 5.892 10.807 1.425 154 HA SER 22 HA SER 22 5.950 9.229 3.861 155 1HB SER 22 2HB SER 22 5.733 12.231 3.538 156 2HB SER 22 1HB SER 22 6.169 11.353 5.005 157 HG SER 22 HG SER 22 7.737 10.743 2.836 158 H GLU 23 H GLU 23 4.358 9.767 5.606 159 HA GLU 23 HA GLU 23 1.729 9.308 4.724 160 1HB GLU 23 2HB GLU 23 1.278 10.089 7.241 161 2HB GLU 23 1HB GLU 23 1.932 8.511 6.837 162 1HG GLU 23 2HG GLU 23 3.149 9.460 8.679 163 2HG GLU 23 1HG GLU 23 4.196 9.348 7.267 164 H ASN 24 H ASN 24 3.487 12.221 5.408 165 HA ASN 24 HA ASN 24 1.252 13.964 5.531 166 1HB ASN 24 2HB ASN 24 2.918 15.780 5.197 167 2HB ASN 24 1HB ASN 24 3.337 14.679 6.497 168 1HD2 ASN 24 1HD2 ASN 24 3.836 14.088 3.028 169 2HD2 ASN 24 2HD2 ASN 24 5.558 14.069 3.112 170 H ASP 25 H ASP 25 2.550 12.267 2.942 171 HA ASP 25 HA ASP 25 1.912 14.254 0.927 172 1HB ASP 25 2HB ASP 25 2.886 11.404 0.780 173 2HB ASP 25 1HB ASP 25 2.391 12.296 -0.652 174 H ILE 26 H ILE 26 0.693 11.078 1.936 175 HA ILE 26 HA ILE 26 -1.536 11.243 0.134 176 HB ILE 26 HB ILE 26 -0.450 9.097 0.675 177 1HG1 ILE 26 2HG1 ILE 26 -2.944 9.345 0.004 178 2HG1 ILE 26 1HG1 ILE 26 -2.367 7.790 0.581 179 1HG2 ILE 26 1HG2 ILE 26 0.085 9.463 2.992 180 2HG2 ILE 26 2HG2 ILE 26 -0.865 7.987 2.812 181 3HG2 ILE 26 3HG2 ILE 26 -1.627 9.458 3.416 182 1HD1 ILE 26 1HD1 ILE 26 -3.321 8.267 2.786 183 2HD1 ILE 26 2HD1 ILE 26 -4.541 8.312 1.510 184 3HD1 ILE 26 3HD1 ILE 26 -3.914 9.816 2.186 185 H GLY 27 H GLY 27 -1.041 11.656 3.631 186 1HA GLY 27 2HA GLY 27 -2.374 13.542 4.533 187 2HA GLY 27 1HA GLY 27 -3.750 12.845 3.695 188 H VAL 28 H VAL 28 -2.480 10.120 4.670 189 HA VAL 28 HA VAL 28 -3.988 10.104 7.152 190 HB VAL 28 HB VAL 28 -3.529 7.689 7.243 191 1HG1 VAL 28 1HG1 VAL 28 -4.873 7.036 5.322 192 2HG1 VAL 28 2HG1 VAL 28 -4.573 8.601 4.569 193 3HG1 VAL 28 3HG1 VAL 28 -5.499 8.507 6.064 194 1HG2 VAL 28 1HG2 VAL 28 -2.042 8.138 4.659 195 2HG2 VAL 28 2HG2 VAL 28 -2.449 6.565 5.347 196 3HG2 VAL 28 3HG2 VAL 28 -1.341 7.640 6.201 197 H THR 29 H THR 29 -3.086 9.249 9.124 198 HA THR 29 HA THR 29 -0.466 10.369 9.579 199 HB THR 29 HB THR 29 -1.966 10.968 11.254 200 HG1 THR 29 HG1 THR 29 -1.116 9.005 12.901 201 1HG2 THR 29 1HG2 THR 29 -2.786 8.075 11.476 202 2HG2 THR 29 2HG2 THR 29 -3.743 9.384 10.780 203 3HG2 THR 29 3HG2 THR 29 -3.375 9.382 12.505 204 H GLU 30 H GLU 30 1.076 9.180 10.952 205 HA GLU 30 HA GLU 30 2.165 7.046 9.562 206 1HB GLU 30 2HB GLU 30 2.615 7.278 12.514 207 2HB GLU 30 1HB GLU 30 3.766 6.876 11.248 208 1HG GLU 30 2HG GLU 30 3.699 9.200 10.481 209 2HG GLU 30 1HG GLU 30 2.574 9.572 11.792 210 H ASP 31 H ASP 31 0.322 6.984 12.551 211 HA ASP 31 HA ASP 31 0.597 4.307 13.172 212 1HB ASP 31 2HB ASP 31 -1.469 4.677 14.559 213 2HB ASP 31 1HB ASP 31 -0.174 5.849 14.795 214 H GLN 32 H GLN 32 -1.897 5.856 11.175 215 HA GLN 32 HA GLN 32 -3.242 3.360 10.685 216 1HB GLN 32 2HB GLN 32 -3.569 6.140 9.575 217 2HB GLN 32 1HB GLN 32 -4.466 4.774 8.925 218 1HG GLN 32 2HG GLN 32 -5.439 4.360 11.118 219 2HG GLN 32 1HG GLN 32 -4.538 5.724 11.778 220 1HE2 GLN 32 1HE2 GLN 32 -5.216 7.794 11.355 221 2HE2 GLN 32 2HE2 GLN 32 -6.732 8.152 10.605 222 H PHE 33 H PHE 33 -0.806 5.294 9.095 223 HA PHE 33 HA PHE 33 -0.918 4.023 6.561 224 1HB PHE 33 2HB PHE 33 0.139 6.231 6.985 225 2HB PHE 33 1HB PHE 33 1.409 5.431 7.900 226 HD1 PHE 33 HD1 PHE 33 3.243 4.408 6.812 227 HD2 PHE 33 HD2 PHE 33 -0.042 5.875 4.536 228 HE1 PHE 33 HE1 PHE 33 4.561 4.150 4.752 229 HE2 PHE 33 HE2 PHE 33 1.271 5.612 2.471 230 HZ PHE 33 HZ PHE 33 3.573 4.746 2.577 231 H ASP 34 H ASP 34 1.305 3.628 9.312 232 HA ASP 34 HA ASP 34 2.737 1.434 8.342 233 1HB ASP 34 2HB ASP 34 2.154 2.424 11.122 234 2HB ASP 34 1HB ASP 34 3.087 0.957 10.860 235 H ASP 35 H ASP 35 -0.158 1.529 10.400 236 HA ASP 35 HA ASP 35 -0.487 -1.208 10.812 237 1HB ASP 35 2HB ASP 35 -1.837 0.486 11.973 238 2HB ASP 35 1HB ASP 35 -2.630 0.907 10.460 239 H ALA 36 H ALA 36 -1.542 0.838 8.157 240 HA ALA 36 HA ALA 36 -3.034 -1.090 6.754 241 1HB ALA 36 1HB ALA 36 -3.244 1.288 6.341 242 2HB ALA 36 2HB ALA 36 -2.823 0.432 4.857 243 3HB ALA 36 3HB ALA 36 -1.592 1.344 5.730 244 H VAL 37 H VAL 37 0.317 0.039 6.309 245 HA VAL 37 HA VAL 37 0.946 -1.586 4.119 246 HB VAL 37 HB VAL 37 2.821 -0.598 6.279 247 1HG1 VAL 37 1HG1 VAL 37 4.574 -0.838 4.579 248 2HG1 VAL 37 2HG1 VAL 37 3.398 -1.551 3.474 249 3HG1 VAL 37 3HG1 VAL 37 3.825 -2.387 4.968 250 1HG2 VAL 37 1HG2 VAL 37 2.087 0.629 3.620 251 2HG2 VAL 37 2HG2 VAL 37 3.274 1.261 4.763 252 3HG2 VAL 37 3HG2 VAL 37 1.567 1.211 5.201 253 H ASN 38 H ASN 38 1.344 -2.178 7.601 254 HA ASN 38 HA ASN 38 2.509 -4.727 7.392 255 1HB ASN 38 2HB ASN 38 0.795 -3.514 9.566 256 2HB ASN 38 1HB ASN 38 1.581 -5.082 9.717 257 1HD2 ASN 38 1HD2 ASN 38 1.967 -2.706 11.307 258 2HD2 ASN 38 2HD2 ASN 38 3.647 -2.313 11.186 259 H PHE 39 H PHE 39 -0.874 -3.754 7.747 260 HA PHE 39 HA PHE 39 -2.062 -6.267 7.815 261 1HB PHE 39 2HB PHE 39 -3.270 -4.206 8.317 262 2HB PHE 39 1HB PHE 39 -3.111 -3.677 6.648 263 HD1 PHE 39 HD1 PHE 39 -4.666 -4.330 5.020 264 HD2 PHE 39 HD2 PHE 39 -4.684 -6.206 8.840 265 HE1 PHE 39 HE1 PHE 39 -6.820 -5.387 4.485 266 HE2 PHE 39 HE2 PHE 39 -6.838 -7.269 8.309 267 HZ PHE 39 HZ PHE 39 -7.909 -6.860 6.130 268 H LEU 40 H LEU 40 -1.279 -4.224 5.035 269 HA LEU 40 HA LEU 40 -2.370 -5.922 3.057 270 1HB LEU 40 2HB LEU 40 -0.216 -3.820 2.903 271 2HB LEU 40 1HB LEU 40 -0.924 -4.603 1.503 272 HG LEU 40 HG LEU 40 -2.506 -2.983 3.495 273 1HD1 LEU 40 1HD1 LEU 40 -2.519 -1.231 1.784 274 2HD1 LEU 40 2HD1 LEU 40 -1.398 -2.180 0.810 275 3HD1 LEU 40 3HD1 LEU 40 -0.891 -1.555 2.378 276 1HD2 LEU 40 1HD2 LEU 40 -4.151 -2.979 1.613 277 2HD2 LEU 40 2HD2 LEU 40 -3.888 -4.556 2.349 278 3HD2 LEU 40 3HD2 LEU 40 -3.140 -4.169 0.799 279 H LYS 41 H LYS 41 0.856 -5.647 4.458 280 HA LYS 41 HA LYS 41 2.102 -7.479 2.676 281 1HB LYS 41 2HB LYS 41 3.194 -5.689 4.144 282 2HB LYS 41 1HB LYS 41 3.014 -6.814 5.478 283 1HG LYS 41 2HG LYS 41 4.449 -7.629 2.982 284 2HG LYS 41 1HG LYS 41 5.262 -6.677 4.223 285 1HD LYS 41 2HD LYS 41 3.959 -9.373 4.614 286 2HD LYS 41 1HD LYS 41 5.692 -9.056 4.528 287 1HE LYS 41 2HE LYS 41 5.536 -7.669 6.538 288 2HE LYS 41 1HE LYS 41 3.802 -7.977 6.619 289 1HZ LYS 41 1HZ LYS 41 4.963 -9.424 8.130 290 2HZ LYS 41 2HZ LYS 41 5.962 -9.999 6.885 291 3HZ LYS 41 3HZ LYS 41 4.302 -10.352 6.871 292 H ARG 42 H ARG 42 0.351 -7.806 5.691 293 HA ARG 42 HA ARG 42 1.098 -10.426 6.372 294 1HB ARG 42 2HB ARG 42 -1.438 -8.882 6.902 295 2HB ARG 42 1HB ARG 42 -1.132 -10.478 7.571 296 1HG ARG 42 2HG ARG 42 0.785 -9.654 8.777 297 2HG ARG 42 1HG ARG 42 0.611 -8.067 8.028 298 1HD ARG 42 2HD ARG 42 -1.574 -7.806 9.107 299 2HD ARG 42 1HD ARG 42 -1.390 -9.390 9.860 300 HE ARG 42 HE ARG 42 0.839 -7.829 10.529 301 1HH1 ARG 42 1HH1 ARG 42 -2.609 -7.918 11.135 302 2HH1 ARG 42 2HH1 ARG 42 -2.490 -7.194 12.709 303 1HH2 ARG 42 1HH2 ARG 42 1.011 -6.899 12.613 304 2HH2 ARG 42 2HH2 ARG 42 -0.429 -6.597 13.544 305 H GLU 43 H GLU 43 -1.865 -9.352 4.677 306 HA GLU 43 HA GLU 43 -2.570 -12.040 3.997 307 1HB GLU 43 2HB GLU 43 -3.657 -9.391 3.060 308 2HB GLU 43 1HB GLU 43 -4.309 -10.942 2.551 309 1HG GLU 43 2HG GLU 43 -4.619 -11.441 5.023 310 2HG GLU 43 1HG GLU 43 -4.320 -9.724 5.289 311 H GLY 44 H GLY 44 -0.672 -9.579 2.488 312 1HA GLY 44 2HA GLY 44 0.935 -10.116 0.840 313 2HA GLY 44 1HA GLY 44 -0.041 -11.499 0.375 314 H TYR 45 H TYR 45 -0.773 -8.025 0.670 315 HA TYR 45 HA TYR 45 -1.872 -8.079 -2.036 316 1HB TYR 45 2HB TYR 45 -1.926 -5.997 0.148 317 2HB TYR 45 1HB TYR 45 -2.508 -5.676 -1.481 318 HD1 TYR 45 HD1 TYR 45 -4.509 -6.846 -2.329 319 HD2 TYR 45 HD2 TYR 45 -3.202 -7.306 1.691 320 HE1 TYR 45 HE1 TYR 45 -6.714 -7.756 -1.726 321 HE2 TYR 45 HE2 TYR 45 -5.400 -8.218 2.306 322 HH TYR 45 HH TYR 45 -7.689 -8.175 1.529 323 H ILE 46 H ILE 46 0.754 -6.715 -0.182 324 HA ILE 46 HA ILE 46 2.087 -6.016 -2.680 325 HB ILE 46 HB ILE 46 3.076 -3.986 -1.416 326 1HG1 ILE 46 2HG1 ILE 46 1.220 -2.925 0.043 327 2HG1 ILE 46 1HG1 ILE 46 0.618 -4.567 0.224 328 1HG2 ILE 46 1HG2 ILE 46 0.240 -3.949 -2.429 329 2HG2 ILE 46 2HG2 ILE 46 1.706 -3.799 -3.398 330 3HG2 ILE 46 3HG2 ILE 46 1.282 -2.538 -2.241 331 1HD1 ILE 46 1HD1 ILE 46 1.984 -3.940 2.111 332 2HD1 ILE 46 2HD1 ILE 46 3.336 -3.569 1.040 333 3HD1 ILE 46 3HD1 ILE 46 2.763 -5.230 1.195 334 H ILE 47 H ILE 47 4.336 -6.160 -2.625 335 HA ILE 47 HA ILE 47 5.517 -7.189 -0.139 336 HB ILE 47 HB ILE 47 6.848 -8.839 -1.315 337 1HG1 ILE 47 2HG1 ILE 47 6.830 -7.601 -3.539 338 2HG1 ILE 47 1HG1 ILE 47 6.691 -9.350 -3.621 339 1HG2 ILE 47 1HG2 ILE 47 5.081 -10.450 -1.904 340 2HG2 ILE 47 2HG2 ILE 47 3.902 -9.139 -1.857 341 3HG2 ILE 47 3HG2 ILE 47 4.768 -9.600 -0.391 342 1HD1 ILE 47 1HD1 ILE 47 4.439 -7.376 -3.902 343 2HD1 ILE 47 2HD1 ILE 47 4.279 -9.129 -3.973 344 3HD1 ILE 47 3HD1 ILE 47 5.209 -8.278 -5.205 345 H GLY 48 H GLY 48 8.046 -7.328 -0.540 346 1HA GLY 48 2HA GLY 48 10.001 -6.297 -1.279 347 2HA GLY 48 1HA GLY 48 9.030 -5.215 -2.265 348 H VAL 49 H VAL 49 7.739 -5.287 0.784 349 HA VAL 49 HA VAL 49 8.588 -2.636 1.396 350 HB VAL 49 HB VAL 49 7.150 -4.616 3.177 351 1HG1 VAL 49 1HG1 VAL 49 8.133 -2.775 4.438 352 2HG1 VAL 49 2HG1 VAL 49 6.377 -2.631 4.389 353 3HG1 VAL 49 3HG1 VAL 49 7.373 -1.614 3.350 354 1HG2 VAL 49 1HG2 VAL 49 6.066 -2.489 1.340 355 2HG2 VAL 49 2HG2 VAL 49 5.111 -3.446 2.471 356 3HG2 VAL 49 3HG2 VAL 49 5.922 -4.232 1.118 357 H HIS 50 H HIS 50 10.144 -1.927 2.778 358 HA HIS 50 HA HIS 50 11.917 -4.000 3.883 359 1HB HIS 50 2HB HIS 50 12.553 -1.129 3.147 360 2HB HIS 50 1HB HIS 50 13.699 -2.291 3.805 361 HD1 HIS 50 HD1 HIS 50 14.627 -4.093 2.188 362 HD2 HIS 50 HD2 HIS 50 11.896 -1.483 0.439 363 HE1 HIS 50 HE1 HIS 50 14.802 -4.485 -0.292 364 HE2 HIS 50 HE2 HIS 50 13.015 -3.032 -1.308 365 H TYR 51 H TYR 51 11.905 -4.224 6.018 366 HA TYR 51 HA TYR 51 10.617 -2.172 7.644 367 1HB TYR 51 2HB TYR 51 11.362 -5.045 8.131 368 2HB TYR 51 1HB TYR 51 10.926 -3.978 9.461 369 HD1 TYR 51 HD1 TYR 51 9.671 -5.432 6.285 370 HD2 TYR 51 HD2 TYR 51 8.686 -3.532 9.962 371 HE1 TYR 51 HE1 TYR 51 7.290 -5.901 5.888 372 HE2 TYR 51 HE2 TYR 51 6.308 -3.999 9.574 373 HH TYR 51 HH TYR 51 4.795 -4.495 7.816 374 H SER 52 H SER 52 11.539 -1.464 9.636 375 HA SER 52 HA SER 52 14.473 -1.717 9.792 376 1HB SER 52 2HB SER 52 12.719 0.522 10.848 377 2HB SER 52 1HB SER 52 14.479 0.446 10.955 378 HG SER 52 HG SER 52 13.693 0.078 8.410 379 H ASP 53 H ASP 53 13.187 -3.785 10.742 380 HA ASP 53 HA ASP 53 12.967 -5.160 12.519 381 1HB ASP 53 2HB ASP 53 14.529 -2.955 13.839 382 2HB ASP 53 1HB ASP 53 14.042 -4.404 14.709 383 H ASP 54 H ASP 54 11.141 -2.598 12.122 384 HA ASP 54 HA ASP 54 9.189 -3.479 13.995 385 1HB ASP 54 2HB ASP 54 10.584 -2.093 15.512 386 2HB ASP 54 1HB ASP 54 10.320 -0.708 14.457 387 H ARG 55 H ARG 55 9.926 -0.307 12.530 388 HA ARG 55 HA ARG 55 7.243 -0.270 11.396 389 1HB ARG 55 2HB ARG 55 9.383 1.861 11.513 390 2HB ARG 55 1HB ARG 55 7.819 2.079 10.742 391 1HG ARG 55 2HG ARG 55 6.778 1.533 12.972 392 2HG ARG 55 1HG ARG 55 8.399 1.658 13.659 393 1HD ARG 55 2HD ARG 55 7.243 3.763 13.930 394 2HD ARG 55 1HD ARG 55 8.563 3.959 12.777 395 HE ARG 55 HE ARG 55 6.204 3.343 11.366 396 1HH1 ARG 55 1HH1 ARG 55 7.538 5.986 13.285 397 2HH1 ARG 55 2HH1 ARG 55 6.657 7.209 12.410 398 1HH2 ARG 55 1HH2 ARG 55 5.049 4.950 10.257 399 2HH2 ARG 55 2HH2 ARG 55 5.268 6.624 10.699 400 HA PRO 56 HA PRO 56 8.676 -1.223 7.268 401 1HB PRO 56 2HB PRO 56 6.468 -0.394 5.934 402 2HB PRO 56 1HB PRO 56 6.510 -1.912 6.844 403 1HG PRO 56 2HG PRO 56 5.395 0.752 7.646 404 2HG PRO 56 1HG PRO 56 4.696 -0.865 7.865 405 1HD PRO 56 2HD PRO 56 5.977 0.458 9.854 406 2HD PRO 56 1HD PRO 56 5.998 -1.310 9.714 407 H HIS 57 H HIS 57 9.807 -0.069 5.799 408 HA HIS 57 HA HIS 57 9.119 2.766 5.449 409 1HB HIS 57 2HB HIS 57 11.884 1.580 5.727 410 2HB HIS 57 1HB HIS 57 11.591 3.175 5.039 411 HD1 HIS 57 HD1 HIS 57 10.942 5.074 6.667 412 HD2 HIS 57 HD2 HIS 57 11.501 1.383 8.507 413 HE1 HIS 57 HE1 HIS 57 11.033 5.551 9.134 414 HE2 HIS 57 HE2 HIS 57 11.566 3.336 10.210 415 H LEU 58 H LEU 58 9.379 3.584 3.372 416 HA LEU 58 HA LEU 58 9.340 1.454 1.357 417 1HB LEU 58 2HB LEU 58 8.142 4.220 1.301 418 2HB LEU 58 1HB LEU 58 8.052 3.056 -0.011 419 HG LEU 58 HG LEU 58 6.873 2.653 2.745 420 1HD1 LEU 58 1HD1 LEU 58 4.709 2.908 1.628 421 2HD1 LEU 58 2HD1 LEU 58 5.537 3.322 0.127 422 3HD1 LEU 58 3HD1 LEU 58 5.675 4.379 1.531 423 1HD2 LEU 58 1HD2 LEU 58 7.539 0.562 1.697 424 2HD2 LEU 58 2HD2 LEU 58 6.656 0.996 0.234 425 3HD2 LEU 58 3HD2 LEU 58 5.783 0.709 1.738 426 H TYR 59 H TYR 59 10.462 1.621 -0.519 427 HA TYR 59 HA TYR 59 12.352 3.841 -0.800 428 1HB TYR 59 2HB TYR 59 12.924 0.882 -1.043 429 2HB TYR 59 1HB TYR 59 13.983 2.111 -1.724 430 HD1 TYR 59 HD1 TYR 59 15.427 3.413 -0.319 431 HD2 TYR 59 HD2 TYR 59 12.694 0.643 1.402 432 HE1 TYR 59 HE1 TYR 59 16.595 3.609 1.834 433 HE2 TYR 59 HE2 TYR 59 13.853 0.837 3.561 434 HH TYR 59 HH TYR 59 15.995 1.472 4.449 435 H LYS 60 H LYS 60 13.343 3.626 -3.165 436 HA LYS 60 HA LYS 60 11.107 3.901 -4.915 437 1HB LYS 60 2HB LYS 60 14.066 3.784 -5.560 438 2HB LYS 60 1HB LYS 60 12.799 4.297 -6.667 439 1HG LYS 60 2HG LYS 60 12.298 6.198 -5.252 440 2HG LYS 60 1HG LYS 60 13.517 5.671 -4.087 441 1HD LYS 60 2HD LYS 60 15.251 5.922 -5.798 442 2HD LYS 60 1HD LYS 60 14.032 6.464 -6.953 443 1HE LYS 60 2HE LYS 60 13.544 8.396 -5.567 444 2HE LYS 60 1HE LYS 60 14.690 7.836 -4.348 445 1HZ LYS 60 1HZ LYS 60 15.359 8.632 -7.131 446 2HZ LYS 60 2HZ LYS 60 16.467 8.072 -5.975 447 3HZ LYS 60 3HZ LYS 60 15.664 9.544 -5.734 448 H LEU 61 H LEU 61 13.641 1.503 -4.439 449 HA LEU 61 HA LEU 61 12.265 -0.280 -6.332 450 1HB LEU 61 2HB LEU 61 14.815 0.330 -6.451 451 2HB LEU 61 1HB LEU 61 14.965 -0.837 -5.153 452 HG LEU 61 HG LEU 61 13.824 -1.443 -7.885 453 1HD1 LEU 61 1HD1 LEU 61 16.198 -0.903 -7.992 454 2HD1 LEU 61 2HD1 LEU 61 15.920 -2.619 -8.293 455 3HD1 LEU 61 3HD1 LEU 61 16.532 -2.086 -6.727 456 1HD2 LEU 61 1HD2 LEU 61 14.020 -3.781 -7.216 457 2HD2 LEU 61 2HD2 LEU 61 12.945 -2.905 -6.129 458 3HD2 LEU 61 3HD2 LEU 61 14.589 -3.289 -5.621 459 H GLY 62 H GLY 62 10.745 -1.375 -5.207 460 1HA GLY 62 2HA GLY 62 11.400 -3.426 -3.477 461 2HA GLY 62 1HA GLY 62 11.023 -2.045 -2.458 462 HA PRO 63 HA PRO 63 6.764 -2.750 -2.443 463 1HB PRO 63 2HB PRO 63 6.087 -0.201 -3.784 464 2HB PRO 63 1HB PRO 63 5.647 -0.781 -2.176 465 1HG PRO 63 2HG PRO 63 7.467 1.142 -2.485 466 2HG PRO 63 1HG PRO 63 7.652 -0.105 -1.235 467 1HD PRO 63 2HD PRO 63 8.995 0.119 -3.904 468 2HD PRO 63 1HD PRO 63 9.678 -0.360 -2.337 469 H GLU 64 H GLU 64 6.202 -4.370 -3.756 470 HA GLU 64 HA GLU 64 5.248 -3.623 -6.444 471 1HB GLU 64 2HB GLU 64 6.288 -6.310 -5.518 472 2HB GLU 64 1HB GLU 64 5.609 -5.978 -7.106 473 1HG GLU 64 2HG GLU 64 7.428 -4.337 -7.481 474 2HG GLU 64 1HG GLU 64 8.135 -4.834 -5.944 475 H LEU 65 H LEU 65 3.258 -4.499 -7.097 476 HA LEU 65 HA LEU 65 1.543 -5.275 -4.861 477 1HB LEU 65 2HB LEU 65 0.928 -4.175 -7.600 478 2HB LEU 65 1HB LEU 65 -0.314 -4.798 -6.533 479 HG LEU 65 HG LEU 65 0.441 -3.053 -4.838 480 1HD1 LEU 65 1HD1 LEU 65 1.831 -1.889 -7.250 481 2HD1 LEU 65 2HD1 LEU 65 2.637 -2.566 -5.833 482 3HD1 LEU 65 3HD1 LEU 65 1.643 -1.116 -5.674 483 1HD2 LEU 65 1HD2 LEU 65 -0.820 -1.270 -5.917 484 2HD2 LEU 65 2HD2 LEU 65 -1.595 -2.836 -6.163 485 3HD2 LEU 65 3HD2 LEU 65 -0.669 -2.094 -7.469 486 H THR 66 H THR 66 0.541 -7.222 -4.767 487 HA THR 66 HA THR 66 1.619 -9.293 -6.468 488 HB THR 66 HB THR 66 0.318 -10.826 -5.025 489 HG1 THR 66 HG1 THR 66 -0.709 -9.753 -3.147 490 1HG2 THR 66 1HG2 THR 66 2.552 -10.185 -4.313 491 2HG2 THR 66 2HG2 THR 66 1.493 -10.335 -2.909 492 3HG2 THR 66 3HG2 THR 66 1.911 -8.740 -3.535 493 H GLU 67 H GLU 67 -0.074 -11.085 -7.054 494 HA GLU 67 HA GLU 67 -1.886 -10.072 -8.978 495 1HB GLU 67 2HB GLU 67 -0.821 -12.325 -9.042 496 2HB GLU 67 1HB GLU 67 -1.826 -12.808 -7.686 497 1HG GLU 67 2HG GLU 67 -3.824 -12.385 -9.078 498 2HG GLU 67 1HG GLU 67 -2.758 -12.046 -10.441 499 H LYS 68 H LYS 68 -2.215 -11.294 -5.698 500 HA LYS 68 HA LYS 68 -4.994 -11.188 -5.415 501 1HB LYS 68 2HB LYS 68 -3.458 -12.247 -3.804 502 2HB LYS 68 1HB LYS 68 -2.845 -10.663 -3.350 503 1HG LYS 68 2HG LYS 68 -5.094 -10.066 -2.531 504 2HG LYS 68 1HG LYS 68 -5.640 -11.702 -2.915 505 1HD LYS 68 2HD LYS 68 -3.935 -12.605 -1.382 506 2HD LYS 68 1HD LYS 68 -3.452 -10.960 -0.967 507 1HE LYS 68 2HE LYS 68 -4.904 -11.741 0.752 508 2HE LYS 68 1HE LYS 68 -5.794 -10.552 -0.197 509 1HZ LYS 68 1HZ LYS 68 -6.877 -12.376 -1.378 510 2HZ LYS 68 2HZ LYS 68 -7.165 -12.461 0.291 511 3HZ LYS 68 3HZ LYS 68 -6.036 -13.505 -0.430 512 H GLY 69 H GLY 69 -2.514 -8.707 -4.848 513 1HA GLY 69 2HA GLY 69 -4.355 -6.684 -4.046 514 2HA GLY 69 1HA GLY 69 -2.688 -6.434 -4.545 515 H GLU 70 H GLU 70 -2.968 -7.637 -7.132 516 HA GLU 70 HA GLU 70 -3.719 -5.381 -8.630 517 1HB GLU 70 2HB GLU 70 -2.100 -7.198 -9.297 518 2HB GLU 70 1HB GLU 70 -3.491 -8.215 -9.642 519 1HG GLU 70 2HG GLU 70 -4.250 -6.559 -11.301 520 2HG GLU 70 1HG GLU 70 -2.788 -5.621 -10.993 521 H ASN 71 H ASN 71 -5.363 -8.491 -8.101 522 HA ASN 71 HA ASN 71 -7.672 -7.836 -9.623 523 1HB ASN 71 2HB ASN 71 -7.189 -9.876 -7.449 524 2HB ASN 71 1HB ASN 71 -8.736 -9.714 -8.273 525 1HD2 ASN 71 1HD2 ASN 71 -6.838 -11.951 -8.212 526 2HD2 ASN 71 2HD2 ASN 71 -6.448 -12.279 -9.869 527 H TYR 72 H TYR 72 -6.704 -7.278 -6.337 528 HA TYR 72 HA TYR 72 -9.217 -6.519 -5.281 529 1HB TYR 72 2HB TYR 72 -7.490 -7.148 -3.766 530 2HB TYR 72 1HB TYR 72 -6.366 -5.982 -4.446 531 HD1 TYR 72 HD1 TYR 72 -9.612 -6.160 -2.610 532 HD2 TYR 72 HD2 TYR 72 -6.074 -3.937 -3.401 533 HE1 TYR 72 HE1 TYR 72 -10.251 -4.537 -0.874 534 HE2 TYR 72 HE2 TYR 72 -6.697 -2.312 -1.666 535 HH TYR 72 HH TYR 72 -9.064 -2.863 0.633 536 H LEU 73 H LEU 73 -6.679 -4.775 -6.970 537 HA LEU 73 HA LEU 73 -7.486 -2.146 -6.514 538 1HB LEU 73 2HB LEU 73 -6.221 -3.358 -8.970 539 2HB LEU 73 1HB LEU 73 -6.362 -1.637 -8.675 540 HG LEU 73 HG LEU 73 -4.803 -3.552 -6.940 541 1HD1 LEU 73 1HD1 LEU 73 -2.824 -2.482 -7.922 542 2HD1 LEU 73 2HD1 LEU 73 -3.867 -1.571 -9.014 543 3HD1 LEU 73 3HD1 LEU 73 -3.783 -3.329 -9.136 544 1HD2 LEU 73 1HD2 LEU 73 -3.904 -1.517 -5.933 545 2HD2 LEU 73 2HD2 LEU 73 -5.653 -1.614 -5.729 546 3HD2 LEU 73 3HD2 LEU 73 -4.965 -0.541 -6.947 547 H LYS 74 H LYS 74 -8.538 -4.456 -8.963 548 HA LYS 74 HA LYS 74 -10.105 -2.661 -10.468 549 1HB LYS 74 2HB LYS 74 -9.458 -4.659 -11.539 550 2HB LYS 74 1HB LYS 74 -10.045 -5.656 -10.215 551 1HG LYS 74 2HG LYS 74 -12.319 -5.240 -10.820 552 2HG LYS 74 1HG LYS 74 -11.831 -4.047 -12.027 553 1HD LYS 74 2HD LYS 74 -10.959 -5.680 -13.455 554 2HD LYS 74 1HD LYS 74 -10.873 -6.886 -12.170 555 1HE LYS 74 2HE LYS 74 -13.470 -5.748 -13.171 556 2HE LYS 74 1HE LYS 74 -12.725 -7.184 -13.872 557 1HZ LYS 74 1HZ LYS 74 -12.871 -8.300 -11.775 558 2HZ LYS 74 2HZ LYS 74 -14.406 -7.690 -12.158 559 3HZ LYS 74 3HZ LYS 74 -13.448 -6.906 -10.998 560 H GLU 75 H GLU 75 -10.933 -4.849 -7.809 561 HA GLU 75 HA GLU 75 -13.725 -4.538 -8.059 562 1HB GLU 75 2HB GLU 75 -12.091 -5.359 -5.657 563 2HB GLU 75 1HB GLU 75 -13.833 -5.560 -5.821 564 1HG GLU 75 2HG GLU 75 -11.709 -6.854 -7.512 565 2HG GLU 75 1HG GLU 75 -12.705 -7.641 -6.288 566 H ASN 76 H ASN 76 -11.424 -3.065 -5.770 567 HA ASN 76 HA ASN 76 -13.565 -1.344 -4.789 568 1HB ASN 76 2HB ASN 76 -11.940 -2.595 -3.256 569 2HB ASN 76 1HB ASN 76 -10.734 -1.408 -3.749 570 1HD2 ASN 76 1HD2 ASN 76 -10.730 0.551 -2.790 571 2HD2 ASN 76 2HD2 ASN 76 -11.875 1.063 -1.605 572 H GLY 77 H GLY 77 -11.652 -1.206 -7.345 573 1HA GLY 77 2HA GLY 77 -10.346 1.272 -7.267 574 2HA GLY 77 1HA GLY 77 -10.901 0.465 -8.723 575 H THR 78 H THR 78 -13.686 0.651 -7.328 576 HA THR 78 HA THR 78 -14.364 3.216 -8.534 577 HB THR 78 HB THR 78 -15.708 1.281 -9.164 578 HG1 THR 78 HG1 THR 78 -16.962 3.319 -7.650 579 1HG2 THR 78 1HG2 THR 78 -16.427 1.106 -6.240 580 2HG2 THR 78 2HG2 THR 78 -15.468 -0.059 -7.155 581 3HG2 THR 78 3HG2 THR 78 -17.176 0.172 -7.535 582 H TRP 79 H TRP 79 -13.106 2.578 -5.762 583 HA TRP 79 HA TRP 79 -14.918 3.371 -3.756 584 1HB TRP 79 2HB TRP 79 -12.895 2.116 -3.269 585 2HB TRP 79 1HB TRP 79 -11.897 3.446 -3.839 586 HD1 TRP 79 HD1 TRP 79 -14.457 2.776 -0.993 587 HE1 TRP 79 HE1 TRP 79 -13.716 4.142 1.063 588 HE3 TRP 79 HE3 TRP 79 -10.452 5.196 -3.044 589 HZ2 TRP 79 HZ2 TRP 79 -11.691 5.994 1.715 590 HZ3 TRP 79 HZ3 TRP 79 -9.166 6.749 -1.638 591 HH2 TRP 79 HH2 TRP 79 -9.774 7.140 0.693 592 H SER 80 H SER 80 -15.417 5.289 -2.879 593 HA SER 80 HA SER 80 -14.876 7.700 -4.303 594 1HB SER 80 2HB SER 80 -16.052 7.506 -1.529 595 2HB SER 80 1HB SER 80 -16.353 8.732 -2.761 596 HG SER 80 HG SER 80 -17.638 7.364 -3.853 597 H LYS 81 H LYS 81 -13.048 8.831 -4.120 598 HA LYS 81 HA LYS 81 -11.146 8.254 -2.057 599 1HB LYS 81 2HB LYS 81 -11.081 10.362 -4.220 600 2HB LYS 81 1HB LYS 81 -9.716 9.861 -3.232 601 1HG LYS 81 2HG LYS 81 -9.781 7.648 -4.196 602 2HG LYS 81 1HG LYS 81 -11.218 8.069 -5.129 603 1HD LYS 81 2HD LYS 81 -9.916 9.808 -6.299 604 2HD LYS 81 1HD LYS 81 -8.481 9.310 -5.399 605 1HE LYS 81 2HE LYS 81 -8.487 8.309 -7.611 606 2HE LYS 81 1HE LYS 81 -8.655 7.070 -6.367 607 1HZ LYS 81 1HZ LYS 81 -11.167 7.391 -6.818 608 2HZ LYS 81 2HZ LYS 81 -10.242 6.457 -7.880 609 3HZ LYS 81 3HZ LYS 81 -10.655 8.047 -8.296 610 H ALA 82 H ALA 82 -10.103 11.033 -2.040 611 HA ALA 82 HA ALA 82 -11.187 11.770 0.458 612 1HB ALA 82 1HB ALA 82 -9.667 13.659 0.361 613 2HB ALA 82 2HB ALA 82 -9.399 13.375 -1.360 614 3HB ALA 82 3HB ALA 82 -8.860 12.185 -0.175 Start of MODEL 5 1 H LYS 5 H LYS 5 -10.221 -0.019 4.623 2 HA LYS 5 HA LYS 5 -12.031 2.234 4.292 3 1HB LYS 5 2HB LYS 5 -9.549 1.880 5.989 4 2HB LYS 5 1HB LYS 5 -10.557 3.319 5.987 5 1HG LYS 5 2HG LYS 5 -11.647 0.605 6.653 6 2HG LYS 5 1HG LYS 5 -10.913 1.656 7.865 7 1HD LYS 5 2HD LYS 5 -13.308 2.294 6.145 8 2HD LYS 5 1HD LYS 5 -13.319 1.935 7.873 9 1HE LYS 5 2HE LYS 5 -11.812 3.925 8.182 10 2HE LYS 5 1HE LYS 5 -12.112 4.325 6.494 11 1HZ LYS 5 1HZ LYS 5 -14.537 4.327 7.085 12 2HZ LYS 5 2HZ LYS 5 -13.614 5.577 7.773 13 3HZ LYS 5 3HZ LYS 5 -14.068 4.246 8.718 14 H LEU 6 H LEU 6 -8.713 2.961 4.808 15 HA LEU 6 HA LEU 6 -8.660 4.343 2.222 16 1HB LEU 6 2HB LEU 6 -7.253 4.780 4.830 17 2HB LEU 6 1HB LEU 6 -6.566 5.423 3.353 18 HG LEU 6 HG LEU 6 -7.819 7.148 4.456 19 1HD1 LEU 6 1HD1 LEU 6 -7.871 7.156 2.038 20 2HD1 LEU 6 2HD1 LEU 6 -9.400 7.754 2.686 21 3HD1 LEU 6 3HD1 LEU 6 -9.295 6.114 2.045 22 1HD2 LEU 6 1HD2 LEU 6 -9.319 5.733 5.775 23 2HD2 LEU 6 2HD2 LEU 6 -10.212 5.318 4.309 24 3HD2 LEU 6 3HD2 LEU 6 -10.202 6.981 4.898 25 H ARG 7 H ARG 7 -7.649 1.488 3.466 26 HA ARG 7 HA ARG 7 -4.937 1.422 2.698 27 1HB ARG 7 2HB ARG 7 -6.946 -0.678 3.388 28 2HB ARG 7 1HB ARG 7 -5.394 -1.152 2.703 29 1HG ARG 7 2HG ARG 7 -4.262 0.112 4.496 30 2HG ARG 7 1HG ARG 7 -5.837 0.462 5.202 31 1HD ARG 7 2HD ARG 7 -4.853 -2.336 4.712 32 2HD ARG 7 1HD ARG 7 -4.542 -1.464 6.211 33 HE ARG 7 HE ARG 7 -7.308 -1.820 5.282 34 1HH1 ARG 7 1HH1 ARG 7 -4.807 -2.386 7.666 35 2HH1 ARG 7 2HH1 ARG 7 -5.882 -3.088 8.832 36 1HH2 ARG 7 1HH2 ARG 7 -8.740 -2.753 6.776 37 2HH2 ARG 7 2HH2 ARG 7 -8.138 -3.289 8.323 38 H TYR 8 H TYR 8 -7.850 1.059 0.820 39 HA TYR 8 HA TYR 8 -6.561 -0.099 -1.441 40 1HB TYR 8 2HB TYR 8 -8.978 -0.146 -1.415 41 2HB TYR 8 1HB TYR 8 -9.052 1.611 -1.295 42 HD1 TYR 8 HD1 TYR 8 -7.849 -1.122 -3.524 43 HD2 TYR 8 HD2 TYR 8 -9.166 2.913 -3.239 44 HE1 TYR 8 HE1 TYR 8 -7.800 -0.938 -5.974 45 HE2 TYR 8 HE2 TYR 8 -9.131 3.105 -5.688 46 HH TYR 8 HH TYR 8 -8.781 0.395 -7.742 47 H ALA 9 H ALA 9 -7.278 3.235 -0.484 48 HA ALA 9 HA ALA 9 -6.208 4.527 -2.717 49 1HB ALA 9 1HB ALA 9 -7.573 5.673 -1.036 50 2HB ALA 9 2HB ALA 9 -6.037 6.504 -1.289 51 3HB ALA 9 3HB ALA 9 -6.271 5.498 0.141 52 H ILE 10 H ILE 10 -4.716 3.381 0.258 53 HA ILE 10 HA ILE 10 -2.130 4.340 -0.121 54 HB ILE 10 HB ILE 10 -2.952 1.719 1.147 55 1HG1 ILE 10 2HG1 ILE 10 -2.507 4.442 2.390 56 2HG1 ILE 10 1HG1 ILE 10 -4.084 3.729 2.072 57 1HG2 ILE 10 1HG2 ILE 10 -0.555 1.815 0.654 58 2HG2 ILE 10 2HG2 ILE 10 -0.852 1.888 2.391 59 3HG2 ILE 10 3HG2 ILE 10 -0.439 3.357 1.504 60 1HD1 ILE 10 1HD1 ILE 10 -3.490 3.506 4.398 61 2HD1 ILE 10 2HD1 ILE 10 -2.001 2.669 3.961 62 3HD1 ILE 10 3HD1 ILE 10 -3.561 1.921 3.630 63 H LEU 11 H LEU 11 -3.496 1.188 -1.092 64 HA LEU 11 HA LEU 11 -1.268 0.213 -2.476 65 1HB LEU 11 2HB LEU 11 -4.200 -0.264 -3.025 66 2HB LEU 11 1HB LEU 11 -2.891 -1.208 -3.707 67 HG LEU 11 HG LEU 11 -3.522 -1.018 -0.762 68 1HD1 LEU 11 1HD1 LEU 11 -4.079 -3.210 -2.759 69 2HD1 LEU 11 2HD1 LEU 11 -5.280 -2.190 -1.964 70 3HD1 LEU 11 3HD1 LEU 11 -4.320 -3.325 -1.014 71 1HD2 LEU 11 1HD2 LEU 11 -1.948 -2.882 -0.560 72 2HD2 LEU 11 2HD2 LEU 11 -1.164 -1.445 -1.214 73 3HD2 LEU 11 3HD2 LEU 11 -1.601 -2.775 -2.285 74 H LYS 12 H LYS 12 -4.014 2.113 -3.611 75 HA LYS 12 HA LYS 12 -3.339 2.187 -6.331 76 1HB LYS 12 2HB LYS 12 -5.555 2.760 -5.520 77 2HB LYS 12 1HB LYS 12 -4.909 4.144 -4.650 78 1HG LYS 12 2HG LYS 12 -4.336 5.229 -6.735 79 2HG LYS 12 1HG LYS 12 -4.882 3.816 -7.645 80 1HD LYS 12 2HD LYS 12 -6.584 5.574 -7.632 81 2HD LYS 12 1HD LYS 12 -7.147 4.130 -6.788 82 1HE LYS 12 2HE LYS 12 -7.790 5.930 -5.419 83 2HE LYS 12 1HE LYS 12 -6.350 5.255 -4.654 84 1HZ LYS 12 1HZ LYS 12 -6.463 7.682 -6.350 85 2HZ LYS 12 2HZ LYS 12 -5.037 7.009 -5.719 86 3HZ LYS 12 3HZ LYS 12 -6.212 7.628 -4.677 87 H GLU 13 H GLU 13 -2.666 4.515 -3.725 88 HA GLU 13 HA GLU 13 -1.298 6.355 -5.358 89 1HB GLU 13 2HB GLU 13 -1.680 5.945 -2.458 90 2HB GLU 13 1HB GLU 13 -0.259 6.872 -2.918 91 1HG GLU 13 2HG GLU 13 -2.307 8.219 -2.428 92 2HG GLU 13 1HG GLU 13 -1.563 8.522 -3.995 93 H ILE 14 H ILE 14 -0.226 3.498 -3.621 94 HA ILE 14 HA ILE 14 2.561 3.922 -3.982 95 HB ILE 14 HB ILE 14 0.978 1.384 -3.566 96 1HG1 ILE 14 2HG1 ILE 14 2.799 2.938 -1.712 97 2HG1 ILE 14 1HG1 ILE 14 1.039 2.996 -1.684 98 1HG2 ILE 14 1HG2 ILE 14 3.103 0.259 -3.114 99 2HG2 ILE 14 2HG2 ILE 14 3.976 1.721 -3.577 100 3HG2 ILE 14 3HG2 ILE 14 3.024 0.845 -4.775 101 1HD1 ILE 14 1HD1 ILE 14 1.865 1.550 0.060 102 2HD1 ILE 14 2HD1 ILE 14 2.751 0.587 -1.122 103 3HD1 ILE 14 3HD1 ILE 14 0.987 0.605 -1.143 104 H PHE 15 H PHE 15 0.086 2.276 -5.907 105 HA PHE 15 HA PHE 15 1.969 1.265 -7.814 106 1HB PHE 15 2HB PHE 15 -0.235 0.190 -7.270 107 2HB PHE 15 1HB PHE 15 -1.029 1.513 -8.116 108 HD1 PHE 15 HD1 PHE 15 1.222 -1.377 -8.521 109 HD2 PHE 15 HD2 PHE 15 -1.163 1.550 -10.483 110 HE1 PHE 15 HE1 PHE 15 1.462 -2.606 -10.639 111 HE2 PHE 15 HE2 PHE 15 -0.927 0.326 -12.605 112 HZ PHE 15 HZ PHE 15 0.385 -1.754 -12.685 113 H GLU 16 H GLU 16 -0.482 3.857 -7.898 114 HA GLU 16 HA GLU 16 0.202 4.668 -10.551 115 1HB GLU 16 2HB GLU 16 -1.380 6.075 -8.396 116 2HB GLU 16 1HB GLU 16 -1.234 6.643 -10.052 117 1HG GLU 16 2HG GLU 16 -2.422 4.005 -9.228 118 2HG GLU 16 1HG GLU 16 -3.340 5.458 -9.621 119 H GLY 17 H GLY 17 0.993 5.847 -7.315 120 1HA GLY 17 2HA GLY 17 2.551 8.062 -8.219 121 2HA GLY 17 1HA GLY 17 2.567 7.370 -6.601 122 H ASN 18 H ASN 18 3.166 4.696 -7.644 123 HA ASN 18 HA ASN 18 4.888 3.335 -8.197 124 1HB ASN 18 2HB ASN 18 4.798 4.757 -10.312 125 2HB ASN 18 1HB ASN 18 6.145 5.666 -9.642 126 1HD2 ASN 18 1HD2 ASN 18 5.740 2.220 -9.182 127 2HD2 ASN 18 2HD2 ASN 18 7.088 1.744 -10.152 128 H THR 19 H THR 19 4.915 5.103 -5.852 129 HA THR 19 HA THR 19 6.151 5.628 -4.052 130 HB THR 19 HB THR 19 8.151 4.215 -3.554 131 HG1 THR 19 HG1 THR 19 7.989 3.705 -6.205 132 1HG2 THR 19 1HG2 THR 19 5.920 3.522 -2.880 133 2HG2 THR 19 2HG2 THR 19 6.889 2.125 -3.345 134 3HG2 THR 19 3HG2 THR 19 5.666 2.755 -4.448 135 HA PRO 20 HA PRO 20 8.159 5.495 -2.513 136 1HB PRO 20 2HB PRO 20 9.126 7.480 -0.981 137 2HB PRO 20 1HB PRO 20 10.195 6.407 -1.894 138 1HG PRO 20 2HG PRO 20 9.259 9.171 -2.579 139 2HG PRO 20 1HG PRO 20 10.892 8.488 -2.690 140 1HD PRO 20 2HD PRO 20 9.241 8.711 -4.833 141 2HD PRO 20 1HD PRO 20 10.447 7.421 -4.676 142 H LEU 21 H LEU 21 7.072 6.260 -0.438 143 HA LEU 21 HA LEU 21 5.250 8.507 -0.713 144 1HB LEU 21 2HB LEU 21 4.033 6.721 -1.835 145 2HB LEU 21 1HB LEU 21 4.287 5.651 -0.473 146 HG LEU 21 HG LEU 21 2.901 7.205 0.917 147 1HD1 LEU 21 1HD1 LEU 21 2.281 8.456 -1.754 148 2HD1 LEU 21 2HD1 LEU 21 3.165 9.218 -0.433 149 3HD1 LEU 21 3HD1 LEU 21 1.462 8.804 -0.231 150 1HD2 LEU 21 1HD2 LEU 21 1.984 5.159 -0.014 151 2HD2 LEU 21 2HD2 LEU 21 1.600 5.999 -1.518 152 3HD2 LEU 21 3HD2 LEU 21 0.775 6.443 -0.023 153 H SER 22 H SER 22 5.461 9.510 1.163 154 HA SER 22 HA SER 22 5.933 8.054 3.624 155 1HB SER 22 2HB SER 22 5.539 11.025 3.209 156 2HB SER 22 1HB SER 22 6.164 10.238 4.659 157 HG SER 22 HG SER 22 7.468 9.678 2.265 158 H GLU 23 H GLU 23 4.565 8.786 5.553 159 HA GLU 23 HA GLU 23 1.850 8.112 5.048 160 1HB GLU 23 2HB GLU 23 1.509 8.504 7.462 161 2HB GLU 23 1HB GLU 23 2.898 7.473 7.153 162 1HG GLU 23 2HG GLU 23 3.044 10.416 7.779 163 2HG GLU 23 1HG GLU 23 3.248 9.124 8.958 164 H ASN 24 H ASN 24 3.583 11.114 5.373 165 HA ASN 24 HA ASN 24 1.294 12.682 6.056 166 1HB ASN 24 2HB ASN 24 3.582 13.327 6.711 167 2HB ASN 24 1HB ASN 24 3.984 13.586 5.016 168 1HD2 ASN 24 1HD2 ASN 24 4.474 15.746 5.367 169 2HD2 ASN 24 2HD2 ASN 24 3.241 16.932 5.647 170 H ASP 25 H ASP 25 3.005 12.014 3.014 171 HA ASP 25 HA ASP 25 1.375 13.975 1.637 172 1HB ASP 25 2HB ASP 25 2.654 13.287 -0.403 173 2HB ASP 25 1HB ASP 25 3.640 13.916 0.907 174 H ILE 26 H ILE 26 0.831 10.858 2.571 175 HA ILE 26 HA ILE 26 -0.891 10.350 0.256 176 HB ILE 26 HB ILE 26 0.413 8.423 0.922 177 1HG1 ILE 26 2HG1 ILE 26 -2.496 8.090 1.681 178 2HG1 ILE 26 1HG1 ILE 26 -1.850 8.037 0.043 179 1HG2 ILE 26 1HG2 ILE 26 0.777 8.959 3.260 180 2HG2 ILE 26 2HG2 ILE 26 0.111 7.336 3.091 181 3HG2 ILE 26 3HG2 ILE 26 -0.926 8.664 3.608 182 1HD1 ILE 26 1HD1 ILE 26 -2.293 5.812 0.913 183 2HD1 ILE 26 2HD1 ILE 26 -1.190 6.111 2.256 184 3HD1 ILE 26 3HD1 ILE 26 -0.572 6.047 0.604 185 H GLY 27 H GLY 27 -1.031 10.916 3.747 186 1HA GLY 27 2HA GLY 27 -2.971 12.424 4.295 187 2HA GLY 27 1HA GLY 27 -3.956 11.231 3.463 188 H VAL 28 H VAL 28 -2.522 8.950 4.530 189 HA VAL 28 HA VAL 28 -3.853 8.855 7.103 190 HB VAL 28 HB VAL 28 -3.228 6.443 7.098 191 1HG1 VAL 28 1HG1 VAL 28 -5.361 7.213 6.189 192 2HG1 VAL 28 2HG1 VAL 28 -4.765 5.802 5.318 193 3HG1 VAL 28 3HG1 VAL 28 -4.619 7.406 4.601 194 1HG2 VAL 28 1HG2 VAL 28 -2.345 5.455 5.022 195 2HG2 VAL 28 2HG2 VAL 28 -1.187 6.547 5.785 196 3HG2 VAL 28 3HG2 VAL 28 -2.099 7.079 4.371 197 H THR 29 H THR 29 -2.882 9.178 8.978 198 HA THR 29 HA THR 29 -0.183 10.000 9.059 199 HB THR 29 HB THR 29 -1.843 10.957 10.551 200 HG1 THR 29 HG1 THR 29 -0.236 11.345 11.850 201 1HG2 THR 29 1HG2 THR 29 -3.203 8.976 10.982 202 2HG2 THR 29 2HG2 THR 29 -2.678 9.711 12.497 203 3HG2 THR 29 3HG2 THR 29 -1.878 8.258 11.899 204 H GLU 30 H GLU 30 1.160 9.170 10.999 205 HA GLU 30 HA GLU 30 2.498 6.956 10.074 206 1HB GLU 30 2HB GLU 30 2.565 7.581 12.998 207 2HB GLU 30 1HB GLU 30 3.894 7.211 11.905 208 1HG GLU 30 2HG GLU 30 3.552 9.420 10.831 209 2HG GLU 30 1HG GLU 30 2.331 9.772 12.055 210 H ASP 31 H ASP 31 0.328 7.093 12.867 211 HA ASP 31 HA ASP 31 0.418 4.472 13.703 212 1HB ASP 31 2HB ASP 31 -1.759 6.530 13.727 213 2HB ASP 31 1HB ASP 31 -2.027 4.924 14.405 214 H GLN 32 H GLN 32 -1.980 5.867 11.491 215 HA GLN 32 HA GLN 32 -3.233 3.371 10.982 216 1HB GLN 32 2HB GLN 32 -4.363 5.585 10.855 217 2HB GLN 32 1HB GLN 32 -3.431 5.939 9.409 218 1HG GLN 32 2HG GLN 32 -4.518 4.215 8.188 219 2HG GLN 32 1HG GLN 32 -5.290 3.593 9.646 220 1HE2 GLN 32 1HE2 GLN 32 -5.899 6.263 10.655 221 2HE2 GLN 32 2HE2 GLN 32 -7.229 6.837 9.712 222 H PHE 33 H PHE 33 -0.719 5.225 9.420 223 HA PHE 33 HA PHE 33 -0.657 3.833 6.962 224 1HB PHE 33 2HB PHE 33 0.418 6.030 7.346 225 2HB PHE 33 1HB PHE 33 1.588 5.259 8.407 226 HD1 PHE 33 HD1 PHE 33 3.538 4.283 7.542 227 HD2 PHE 33 HD2 PHE 33 0.371 5.376 4.917 228 HE1 PHE 33 HE1 PHE 33 5.004 3.875 5.607 229 HE2 PHE 33 HE2 PHE 33 1.828 4.966 2.980 230 HZ PHE 33 HZ PHE 33 4.148 4.215 3.323 231 H ASP 34 H ASP 34 1.289 3.463 9.928 232 HA ASP 34 HA ASP 34 2.810 1.281 9.007 233 1HB ASP 34 2HB ASP 34 3.537 2.570 10.926 234 2HB ASP 34 1HB ASP 34 2.094 2.110 11.826 235 H ASP 35 H ASP 35 -0.150 1.405 10.959 236 HA ASP 35 HA ASP 35 -0.502 -1.353 11.317 237 1HB ASP 35 2HB ASP 35 -1.817 0.311 12.548 238 2HB ASP 35 1HB ASP 35 -2.605 0.814 11.056 239 H ALA 36 H ALA 36 -1.659 0.817 8.772 240 HA ALA 36 HA ALA 36 -3.098 -1.062 7.282 241 1HB ALA 36 1HB ALA 36 -2.952 0.511 5.453 242 2HB ALA 36 2HB ALA 36 -1.633 1.362 6.261 243 3HB ALA 36 3HB ALA 36 -3.250 1.366 6.968 244 H VAL 37 H VAL 37 0.242 0.106 6.782 245 HA VAL 37 HA VAL 37 0.786 -1.471 4.537 246 HB VAL 37 HB VAL 37 2.713 -0.382 6.596 247 1HG1 VAL 37 1HG1 VAL 37 3.714 -2.246 5.343 248 2HG1 VAL 37 2HG1 VAL 37 4.460 -0.702 4.931 249 3HG1 VAL 37 3HG1 VAL 37 3.296 -1.442 3.829 250 1HG2 VAL 37 1HG2 VAL 37 3.103 1.369 4.933 251 2HG2 VAL 37 2HG2 VAL 37 1.415 1.328 5.441 252 3HG2 VAL 37 3HG2 VAL 37 1.885 0.645 3.883 253 H ASN 38 H ASN 38 1.357 -2.176 7.981 254 HA ASN 38 HA ASN 38 2.706 -4.611 7.510 255 1HB ASN 38 2HB ASN 38 1.369 -3.425 9.907 256 2HB ASN 38 1HB ASN 38 1.854 -5.118 9.938 257 1HD2 ASN 38 1HD2 ASN 38 2.914 -1.836 9.946 258 2HD2 ASN 38 2HD2 ASN 38 4.586 -2.157 10.245 259 H PHE 39 H PHE 39 -0.723 -3.867 7.959 260 HA PHE 39 HA PHE 39 -1.526 -6.616 7.941 261 1HB PHE 39 2HB PHE 39 -2.951 -4.909 8.962 262 2HB PHE 39 1HB PHE 39 -3.142 -4.110 7.404 263 HD1 PHE 39 HD1 PHE 39 -4.910 -4.681 6.015 264 HD2 PHE 39 HD2 PHE 39 -3.767 -7.349 9.128 265 HE1 PHE 39 HE1 PHE 39 -6.879 -6.075 5.539 266 HE2 PHE 39 HE2 PHE 39 -5.739 -8.745 8.661 267 HZ PHE 39 HZ PHE 39 -7.296 -8.109 6.862 268 H LEU 40 H LEU 40 -1.286 -4.075 5.501 269 HA LEU 40 HA LEU 40 -2.369 -5.470 3.324 270 1HB LEU 40 2HB LEU 40 -0.242 -3.348 3.514 271 2HB LEU 40 1HB LEU 40 -0.786 -3.984 1.975 272 HG LEU 40 HG LEU 40 -2.638 -2.679 3.965 273 1HD1 LEU 40 1HD1 LEU 40 -0.916 -1.092 3.218 274 2HD1 LEU 40 2HD1 LEU 40 -2.510 -0.685 2.587 275 3HD1 LEU 40 3HD1 LEU 40 -1.320 -1.459 1.540 276 1HD2 LEU 40 1HD2 LEU 40 -3.718 -4.169 2.379 277 2HD2 LEU 40 2HD2 LEU 40 -2.895 -3.363 1.041 278 3HD2 LEU 40 3HD2 LEU 40 -4.098 -2.489 1.995 279 H LYS 41 H LYS 41 0.917 -5.295 4.568 280 HA LYS 41 HA LYS 41 2.138 -7.063 2.749 281 1HB LYS 41 2HB LYS 41 3.352 -5.503 4.222 282 2HB LYS 41 1HB LYS 41 2.820 -6.406 5.626 283 1HG LYS 41 2HG LYS 41 4.437 -7.745 3.507 284 2HG LYS 41 1HG LYS 41 5.214 -6.721 4.713 285 1HD LYS 41 2HD LYS 41 3.903 -8.145 6.427 286 2HD LYS 41 1HD LYS 41 3.709 -9.286 5.094 287 1HE LYS 41 2HE LYS 41 5.635 -9.930 6.362 288 2HE LYS 41 1HE LYS 41 6.178 -9.282 4.813 289 1HZ LYS 41 1HZ LYS 41 7.542 -8.404 6.559 290 2HZ LYS 41 2HZ LYS 41 6.183 -7.865 7.426 291 3HZ LYS 41 3HZ LYS 41 6.583 -7.148 5.947 292 H ARG 42 H ARG 42 0.657 -7.535 5.913 293 HA ARG 42 HA ARG 42 1.146 -10.247 6.289 294 1HB ARG 42 2HB ARG 42 0.052 -8.383 7.790 295 2HB ARG 42 1HB ARG 42 -1.448 -8.993 7.120 296 1HG ARG 42 2HG ARG 42 0.564 -10.629 8.638 297 2HG ARG 42 1HG ARG 42 -0.907 -9.940 9.315 298 1HD ARG 42 2HD ARG 42 -0.696 -12.036 7.164 299 2HD ARG 42 1HD ARG 42 -1.264 -12.262 8.814 300 HE ARG 42 HE ARG 42 -2.753 -11.202 6.584 301 1HH1 ARG 42 1HH1 ARG 42 -2.513 -11.341 10.065 302 2HH1 ARG 42 2HH1 ARG 42 -4.213 -11.102 10.326 303 1HH2 ARG 42 1HH2 ARG 42 -5.004 -10.949 6.897 304 2HH2 ARG 42 2HH2 ARG 42 -5.636 -10.925 8.523 305 H GLU 43 H GLU 43 -1.613 -8.640 4.733 306 HA GLU 43 HA GLU 43 -2.917 -11.143 4.181 307 1HB GLU 43 2HB GLU 43 -4.013 -8.891 4.733 308 2HB GLU 43 1HB GLU 43 -3.691 -8.462 3.059 309 1HG GLU 43 2HG GLU 43 -5.985 -9.314 3.486 310 2HG GLU 43 1HG GLU 43 -5.092 -10.214 2.260 311 H GLY 44 H GLY 44 -0.373 -9.632 2.756 312 1HA GLY 44 2HA GLY 44 0.811 -10.353 0.911 313 2HA GLY 44 1HA GLY 44 -0.516 -11.433 0.526 314 H TYR 45 H TYR 45 -0.686 -7.913 0.887 315 HA TYR 45 HA TYR 45 -1.754 -7.734 -1.808 316 1HB TYR 45 2HB TYR 45 -1.429 -5.732 0.417 317 2HB TYR 45 1HB TYR 45 -1.900 -5.244 -1.206 318 HD1 TYR 45 HD1 TYR 45 -3.001 -6.756 1.901 319 HD2 TYR 45 HD2 TYR 45 -4.040 -6.069 -2.169 320 HE1 TYR 45 HE1 TYR 45 -5.347 -7.282 2.414 321 HE2 TYR 45 HE2 TYR 45 -6.388 -6.590 -1.665 322 HH TYR 45 HH TYR 45 -7.592 -6.791 1.484 323 H ILE 46 H ILE 46 1.077 -6.585 -0.017 324 HA ILE 46 HA ILE 46 2.431 -6.221 -2.583 325 HB ILE 46 HB ILE 46 3.537 -4.178 -1.869 326 1HG1 ILE 46 2HG1 ILE 46 3.369 -4.584 0.599 327 2HG1 ILE 46 1HG1 ILE 46 2.967 -2.946 0.107 328 1HG2 ILE 46 1HG2 ILE 46 1.655 -2.628 -2.057 329 2HG2 ILE 46 2HG2 ILE 46 0.538 -3.957 -1.743 330 3HG2 ILE 46 3HG2 ILE 46 1.537 -3.968 -3.196 331 1HD1 ILE 46 1HD1 ILE 46 1.477 -3.719 1.830 332 2HD1 ILE 46 2HD1 ILE 46 1.022 -5.111 0.847 333 3HD1 ILE 46 3HD1 ILE 46 0.593 -3.482 0.322 334 H ILE 47 H ILE 47 4.673 -6.447 -2.536 335 HA ILE 47 HA ILE 47 5.826 -7.438 -0.018 336 HB ILE 47 HB ILE 47 7.155 -9.087 -1.193 337 1HG1 ILE 47 2HG1 ILE 47 7.222 -7.806 -3.388 338 2HG1 ILE 47 1HG1 ILE 47 7.056 -9.551 -3.514 339 1HG2 ILE 47 1HG2 ILE 47 5.406 -10.674 -1.837 340 2HG2 ILE 47 2HG2 ILE 47 4.234 -9.358 -1.858 341 3HG2 ILE 47 3HG2 ILE 47 5.016 -9.818 -0.345 342 1HD1 ILE 47 1HD1 ILE 47 5.643 -8.416 -5.119 343 2HD1 ILE 47 2HD1 ILE 47 4.841 -7.533 -3.820 344 3HD1 ILE 47 3HD1 ILE 47 4.662 -9.284 -3.938 345 H GLY 48 H GLY 48 8.282 -7.353 -0.111 346 1HA GLY 48 2HA GLY 48 10.269 -6.310 -0.794 347 2HA GLY 48 1HA GLY 48 9.354 -5.375 -1.964 348 H VAL 49 H VAL 49 7.941 -5.379 1.102 349 HA VAL 49 HA VAL 49 8.422 -2.582 1.419 350 HB VAL 49 HB VAL 49 7.208 -4.491 3.423 351 1HG1 VAL 49 1HG1 VAL 49 7.015 -1.491 3.149 352 2HG1 VAL 49 2HG1 VAL 49 7.884 -2.373 4.406 353 3HG1 VAL 49 3HG1 VAL 49 6.125 -2.472 4.315 354 1HG2 VAL 49 1HG2 VAL 49 6.009 -4.591 1.297 355 2HG2 VAL 49 2HG2 VAL 49 5.846 -2.835 1.299 356 3HG2 VAL 49 3HG2 VAL 49 5.037 -3.798 2.537 357 H HIS 50 H HIS 50 10.176 -1.716 2.264 358 HA HIS 50 HA HIS 50 11.997 -3.405 3.774 359 1HB HIS 50 2HB HIS 50 12.275 -0.735 2.420 360 2HB HIS 50 1HB HIS 50 13.482 -1.291 3.573 361 HD1 HIS 50 HD1 HIS 50 11.829 -2.581 0.383 362 HD2 HIS 50 HD2 HIS 50 15.432 -2.779 2.446 363 HE1 HIS 50 HE1 HIS 50 13.383 -3.877 -1.100 364 HE2 HIS 50 HE2 HIS 50 15.466 -4.198 0.281 365 H TYR 51 H TYR 51 11.669 -3.539 5.852 366 HA TYR 51 HA TYR 51 10.620 -1.248 7.330 367 1HB TYR 51 2HB TYR 51 11.095 -4.109 8.202 368 2HB TYR 51 1HB TYR 51 10.397 -2.850 9.210 369 HD1 TYR 51 HD1 TYR 51 9.817 -5.177 6.471 370 HD2 TYR 51 HD2 TYR 51 8.124 -2.049 8.805 371 HE1 TYR 51 HE1 TYR 51 7.581 -5.796 5.665 372 HE2 TYR 51 HE2 TYR 51 5.882 -2.656 8.003 373 HH TYR 51 HH TYR 51 4.841 -3.816 6.149 374 H SER 52 H SER 52 11.797 -0.136 8.797 375 HA SER 52 HA SER 52 14.594 -0.857 9.185 376 1HB SER 52 2HB SER 52 14.577 1.354 10.482 377 2HB SER 52 1HB SER 52 14.246 1.469 8.753 378 HG SER 52 HG SER 52 12.784 2.632 10.276 379 H ASP 53 H ASP 53 12.060 -2.163 10.298 380 HA ASP 53 HA ASP 53 11.269 -3.144 12.166 381 1HB ASP 53 2HB ASP 53 14.081 -2.578 13.059 382 2HB ASP 53 1HB ASP 53 12.906 -3.295 14.157 383 H ASP 54 H ASP 54 11.503 -0.108 11.721 384 HA ASP 54 HA ASP 54 10.457 0.693 14.349 385 1HB ASP 54 2HB ASP 54 12.560 1.800 14.066 386 2HB ASP 54 1HB ASP 54 12.192 2.210 12.395 387 H ARG 55 H ARG 55 10.494 1.624 10.907 388 HA ARG 55 HA ARG 55 7.600 1.537 10.862 389 1HB ARG 55 2HB ARG 55 7.353 3.800 9.945 390 2HB ARG 55 1HB ARG 55 8.044 3.854 11.558 391 1HG ARG 55 2HG ARG 55 10.309 3.941 10.310 392 2HG ARG 55 1HG ARG 55 9.324 4.429 8.930 393 1HD ARG 55 2HD ARG 55 9.371 5.786 11.623 394 2HD ARG 55 1HD ARG 55 10.201 6.354 10.178 395 HE ARG 55 HE ARG 55 7.921 6.585 9.178 396 1HH1 ARG 55 1HH1 ARG 55 8.302 6.556 12.657 397 2HH1 ARG 55 2HH1 ARG 55 6.968 7.636 12.935 398 1HH2 ARG 55 1HH2 ARG 55 6.138 7.997 9.548 399 2HH2 ARG 55 2HH2 ARG 55 5.753 8.443 11.194 400 HA PRO 56 HA PRO 56 8.491 0.027 6.800 401 1HB PRO 56 2HB PRO 56 6.158 0.573 5.527 402 2HB PRO 56 1HB PRO 56 6.323 -0.727 6.713 403 1HG PRO 56 2HG PRO 56 5.199 2.024 7.058 404 2HG PRO 56 1HG PRO 56 4.594 0.480 7.685 405 1HD PRO 56 2HD PRO 56 6.009 2.226 9.201 406 2HD PRO 56 1HD PRO 56 6.071 0.473 9.447 407 H HIS 57 H HIS 57 9.893 1.052 5.509 408 HA HIS 57 HA HIS 57 9.253 3.783 4.645 409 1HB HIS 57 2HB HIS 57 11.867 2.281 4.746 410 2HB HIS 57 1HB HIS 57 11.683 3.815 3.901 411 HD1 HIS 57 HD1 HIS 57 10.955 5.894 5.451 412 HD2 HIS 57 HD2 HIS 57 12.352 2.509 7.434 413 HE1 HIS 57 HE1 HIS 57 11.498 6.649 7.791 414 HE2 HIS 57 HE2 HIS 57 12.367 4.598 8.969 415 H LEU 58 H LEU 58 8.087 3.734 2.855 416 HA LEU 58 HA LEU 58 8.542 1.744 0.801 417 1HB LEU 58 2HB LEU 58 6.667 4.106 0.872 418 2HB LEU 58 1HB LEU 58 6.682 2.864 -0.364 419 HG LEU 58 HG LEU 58 6.041 2.418 2.551 420 1HD1 LEU 58 1HD1 LEU 58 4.239 2.453 0.139 421 2HD1 LEU 58 2HD1 LEU 58 4.322 3.703 1.381 422 3HD1 LEU 58 3HD1 LEU 58 3.760 2.082 1.796 423 1HD2 LEU 58 1HD2 LEU 58 7.080 0.469 1.484 424 2HD2 LEU 58 2HD2 LEU 58 5.871 0.531 0.203 425 3HD2 LEU 58 3HD2 LEU 58 5.382 0.180 1.860 426 H TYR 59 H TYR 59 10.573 2.159 0.025 427 HA TYR 59 HA TYR 59 11.277 4.783 -0.953 428 1HB TYR 59 2HB TYR 59 12.705 2.120 -1.086 429 2HB TYR 59 1HB TYR 59 13.360 3.613 -1.750 430 HD1 TYR 59 HD1 TYR 59 13.570 5.600 -0.093 431 HD2 TYR 59 HD2 TYR 59 13.175 1.543 1.117 432 HE1 TYR 59 HE1 TYR 59 14.516 6.168 2.100 433 HE2 TYR 59 HE2 TYR 59 14.122 2.102 3.318 434 HH TYR 59 HH TYR 59 15.580 3.847 4.316 435 H LYS 60 H LYS 60 12.399 4.694 -3.221 436 HA LYS 60 HA LYS 60 10.290 4.291 -5.103 437 1HB LYS 60 2HB LYS 60 12.121 5.075 -6.727 438 2HB LYS 60 1HB LYS 60 11.600 6.197 -5.476 439 1HG LYS 60 2HG LYS 60 13.547 5.554 -4.117 440 2HG LYS 60 1HG LYS 60 14.082 4.490 -5.417 441 1HD LYS 60 2HD LYS 60 14.476 6.310 -6.872 442 2HD LYS 60 1HD LYS 60 13.612 7.433 -5.818 443 1HE LYS 60 2HE LYS 60 15.323 7.225 -4.127 444 2HE LYS 60 1HE LYS 60 16.162 6.001 -5.082 445 1HZ LYS 60 1HZ LYS 60 16.733 7.589 -6.705 446 2HZ LYS 60 2HZ LYS 60 17.093 8.305 -5.208 447 3HZ LYS 60 3HZ LYS 60 15.694 8.765 -6.053 448 H LEU 61 H LEU 61 12.381 2.135 -3.813 449 HA LEU 61 HA LEU 61 11.972 0.292 -6.025 450 1HB LEU 61 2HB LEU 61 14.231 1.254 -6.370 451 2HB LEU 61 1HB LEU 61 14.685 0.732 -4.760 452 HG LEU 61 HG LEU 61 14.325 -1.627 -5.465 453 1HD1 LEU 61 1HD1 LEU 61 12.735 -1.229 -7.268 454 2HD1 LEU 61 2HD1 LEU 61 14.136 -2.128 -7.848 455 3HD1 LEU 61 3HD1 LEU 61 13.986 -0.407 -8.200 456 1HD2 LEU 61 1HD2 LEU 61 16.349 -1.778 -6.833 457 2HD2 LEU 61 2HD2 LEU 61 16.551 -0.655 -5.487 458 3HD2 LEU 61 3HD2 LEU 61 16.282 -0.039 -7.118 459 H GLY 62 H GLY 62 11.298 -1.632 -5.270 460 1HA GLY 62 2HA GLY 62 11.951 -3.371 -3.503 461 2HA GLY 62 1HA GLY 62 11.567 -2.091 -2.366 462 HA PRO 63 HA PRO 63 7.365 -3.221 -2.159 463 1HB PRO 63 2HB PRO 63 5.948 -0.933 -2.659 464 2HB PRO 63 1HB PRO 63 6.771 -1.278 -1.133 465 1HG PRO 63 2HG PRO 63 7.676 0.404 -3.439 466 2HG PRO 63 1HG PRO 63 7.816 0.719 -1.699 467 1HD PRO 63 2HD PRO 63 9.894 -0.174 -3.156 468 2HD PRO 63 1HD PRO 63 9.651 -0.669 -1.469 469 H GLU 64 H GLU 64 6.509 -4.545 -3.580 470 HA GLU 64 HA GLU 64 5.526 -3.448 -6.136 471 1HB GLU 64 2HB GLU 64 6.705 -6.189 -5.626 472 2HB GLU 64 1HB GLU 64 5.920 -5.704 -7.122 473 1HG GLU 64 2HG GLU 64 7.630 -4.086 -7.564 474 2HG GLU 64 1HG GLU 64 8.365 -4.367 -5.986 475 H LEU 65 H LEU 65 3.536 -4.346 -6.880 476 HA LEU 65 HA LEU 65 1.868 -5.308 -4.688 477 1HB LEU 65 2HB LEU 65 1.208 -4.143 -7.387 478 2HB LEU 65 1HB LEU 65 -0.009 -4.884 -6.368 479 HG LEU 65 HG LEU 65 0.638 -3.194 -4.585 480 1HD1 LEU 65 1HD1 LEU 65 2.795 -2.519 -5.517 481 2HD1 LEU 65 2HD1 LEU 65 1.710 -1.141 -5.342 482 3HD1 LEU 65 3HD1 LEU 65 1.977 -1.856 -6.932 483 1HD2 LEU 65 1HD2 LEU 65 -0.735 -1.445 -5.575 484 2HD2 LEU 65 2HD2 LEU 65 -1.407 -3.043 -5.899 485 3HD2 LEU 65 3HD2 LEU 65 -0.534 -2.179 -7.167 486 H THR 66 H THR 66 0.663 -7.181 -4.766 487 HA THR 66 HA THR 66 1.633 -9.210 -6.631 488 HB THR 66 HB THR 66 0.486 -10.816 -5.177 489 HG1 THR 66 HG1 THR 66 -0.343 -9.655 -3.111 490 1HG2 THR 66 1HG2 THR 66 2.096 -8.792 -3.614 491 2HG2 THR 66 2HG2 THR 66 2.745 -10.145 -4.540 492 3HG2 THR 66 3HG2 THR 66 1.763 -10.448 -3.105 493 H GLU 67 H GLU 67 -0.042 -10.801 -7.433 494 HA GLU 67 HA GLU 67 -2.047 -9.640 -8.988 495 1HB GLU 67 2HB GLU 67 -1.190 -11.826 -9.508 496 2HB GLU 67 1HB GLU 67 -1.707 -12.460 -7.955 497 1HG GLU 67 2HG GLU 67 -4.038 -12.199 -8.612 498 2HG GLU 67 1HG GLU 67 -3.531 -11.526 -10.161 499 H LYS 68 H LYS 68 -2.121 -10.904 -5.725 500 HA LYS 68 HA LYS 68 -4.878 -11.077 -5.320 501 1HB LYS 68 2HB LYS 68 -2.949 -11.903 -3.850 502 2HB LYS 68 1HB LYS 68 -2.863 -10.268 -3.221 503 1HG LYS 68 2HG LYS 68 -5.471 -11.697 -3.141 504 2HG LYS 68 1HG LYS 68 -4.213 -12.137 -1.987 505 1HD LYS 68 2HD LYS 68 -4.064 -9.739 -1.332 506 2HD LYS 68 1HD LYS 68 -5.446 -9.414 -2.382 507 1HE LYS 68 2HE LYS 68 -6.144 -9.688 -0.057 508 2HE LYS 68 1HE LYS 68 -6.812 -10.959 -1.080 509 1HZ LYS 68 1HZ LYS 68 -6.005 -11.902 0.958 510 2HZ LYS 68 2HZ LYS 68 -4.473 -11.210 0.742 511 3HZ LYS 68 3HZ LYS 68 -5.009 -12.426 -0.308 512 H GLY 69 H GLY 69 -2.633 -8.405 -4.629 513 1HA GLY 69 2HA GLY 69 -4.728 -6.597 -3.876 514 2HA GLY 69 1HA GLY 69 -3.037 -6.189 -4.138 515 H GLU 70 H GLU 70 -2.895 -7.226 -6.807 516 HA GLU 70 HA GLU 70 -3.621 -4.944 -8.266 517 1HB GLU 70 2HB GLU 70 -1.851 -6.782 -8.745 518 2HB GLU 70 1HB GLU 70 -3.169 -7.644 -9.519 519 1HG GLU 70 2HG GLU 70 -2.542 -4.834 -10.310 520 2HG GLU 70 1HG GLU 70 -1.578 -6.170 -10.931 521 H ASN 71 H ASN 71 -5.248 -8.027 -7.782 522 HA ASN 71 HA ASN 71 -7.336 -7.453 -9.651 523 1HB ASN 71 2HB ASN 71 -6.964 -9.563 -7.549 524 2HB ASN 71 1HB ASN 71 -8.507 -9.378 -8.381 525 1HD2 ASN 71 1HD2 ASN 71 -6.611 -11.592 -8.461 526 2HD2 ASN 71 2HD2 ASN 71 -6.179 -11.785 -10.126 527 H TYR 72 H TYR 72 -6.908 -7.015 -6.175 528 HA TYR 72 HA TYR 72 -9.547 -6.189 -5.616 529 1HB TYR 72 2HB TYR 72 -7.972 -6.740 -3.820 530 2HB TYR 72 1HB TYR 72 -6.963 -5.364 -4.258 531 HD1 TYR 72 HD1 TYR 72 -7.281 -3.329 -3.177 532 HD2 TYR 72 HD2 TYR 72 -10.435 -6.186 -3.166 533 HE1 TYR 72 HE1 TYR 72 -8.577 -1.885 -1.665 534 HE2 TYR 72 HE2 TYR 72 -11.738 -4.751 -1.654 535 HH TYR 72 HH TYR 72 -11.117 -1.564 -1.153 536 H LEU 73 H LEU 73 -6.775 -4.525 -6.949 537 HA LEU 73 HA LEU 73 -7.632 -1.874 -6.786 538 1HB LEU 73 2HB LEU 73 -6.048 -3.202 -8.993 539 2HB LEU 73 1HB LEU 73 -6.196 -1.472 -8.762 540 HG LEU 73 HG LEU 73 -4.890 -3.385 -6.824 541 1HD1 LEU 73 1HD1 LEU 73 -3.579 -3.130 -8.842 542 2HD1 LEU 73 2HD1 LEU 73 -2.808 -2.265 -7.513 543 3HD1 LEU 73 3HD1 LEU 73 -3.710 -1.375 -8.739 544 1HD2 LEU 73 1HD2 LEU 73 -4.157 -1.379 -5.651 545 2HD2 LEU 73 2HD2 LEU 73 -5.919 -1.459 -5.710 546 3HD2 LEU 73 3HD2 LEU 73 -5.048 -0.370 -6.792 547 H LYS 74 H LYS 74 -8.447 -4.408 -9.083 548 HA LYS 74 HA LYS 74 -9.746 -2.779 -10.986 549 1HB LYS 74 2HB LYS 74 -10.189 -5.705 -10.356 550 2HB LYS 74 1HB LYS 74 -10.744 -4.880 -11.807 551 1HG LYS 74 2HG LYS 74 -8.404 -4.428 -12.415 552 2HG LYS 74 1HG LYS 74 -7.880 -5.320 -10.983 553 1HD LYS 74 2HD LYS 74 -9.029 -7.325 -11.840 554 2HD LYS 74 1HD LYS 74 -9.481 -6.428 -13.292 555 1HE LYS 74 2HE LYS 74 -7.545 -7.765 -13.774 556 2HE LYS 74 1HE LYS 74 -7.076 -6.066 -13.759 557 1HZ LYS 74 1HZ LYS 74 -5.454 -7.368 -12.592 558 2HZ LYS 74 2HZ LYS 74 -6.639 -8.032 -11.578 559 3HZ LYS 74 3HZ LYS 74 -6.264 -6.380 -11.483 560 H GLU 75 H GLU 75 -10.905 -4.554 -8.167 561 HA GLU 75 HA GLU 75 -13.668 -4.123 -8.651 562 1HB GLU 75 2HB GLU 75 -12.272 -4.695 -6.032 563 2HB GLU 75 1HB GLU 75 -13.992 -4.875 -6.346 564 1HG GLU 75 2HG GLU 75 -13.457 -6.609 -8.027 565 2HG GLU 75 1HG GLU 75 -11.757 -6.467 -7.581 566 H ASN 76 H ASN 76 -11.316 -2.513 -6.546 567 HA ASN 76 HA ASN 76 -13.362 -0.656 -5.610 568 1HB ASN 76 2HB ASN 76 -11.482 -1.872 -4.228 569 2HB ASN 76 1HB ASN 76 -10.475 -0.551 -4.792 570 1HD2 ASN 76 1HD2 ASN 76 -12.484 1.492 -4.677 571 2HD2 ASN 76 2HD2 ASN 76 -12.818 1.779 -3.002 572 H GLY 77 H GLY 77 -11.545 -0.792 -8.290 573 1HA GLY 77 2HA GLY 77 -10.209 1.699 -8.389 574 2HA GLY 77 1HA GLY 77 -10.642 0.710 -9.770 575 H THR 78 H THR 78 -13.449 1.264 -8.172 576 HA THR 78 HA THR 78 -14.191 3.412 -9.984 577 HB THR 78 HB THR 78 -15.687 1.490 -9.829 578 HG1 THR 78 HG1 THR 78 -16.727 3.907 -8.734 579 1HG2 THR 78 1HG2 THR 78 -15.240 0.779 -7.551 580 2HG2 THR 78 2HG2 THR 78 -16.971 1.047 -7.773 581 3HG2 THR 78 3HG2 THR 78 -15.994 2.244 -6.922 582 H TRP 79 H TRP 79 -12.571 3.547 -7.305 583 HA TRP 79 HA TRP 79 -14.079 5.817 -6.190 584 1HB TRP 79 2HB TRP 79 -14.202 4.056 -4.574 585 2HB TRP 79 1HB TRP 79 -12.490 3.696 -4.740 586 HD1 TRP 79 HD1 TRP 79 -14.314 7.041 -3.888 587 HE1 TRP 79 HE1 TRP 79 -13.230 7.996 -1.752 588 HE3 TRP 79 HE3 TRP 79 -10.964 3.300 -2.938 589 HZ2 TRP 79 HZ2 TRP 79 -11.234 7.249 0.093 590 HZ3 TRP 79 HZ3 TRP 79 -9.509 3.495 -0.966 591 HH2 TRP 79 HH2 TRP 79 -9.641 5.427 0.517 592 H SER 80 H SER 80 -13.048 7.670 -6.077 593 HA SER 80 HA SER 80 -11.519 9.283 -6.353 594 1HB SER 80 2HB SER 80 -9.374 9.010 -5.126 595 2HB SER 80 1HB SER 80 -10.795 8.600 -4.170 596 HG SER 80 HG SER 80 -9.933 6.402 -5.426 597 H LYS 81 H LYS 81 -11.532 9.149 -8.621 598 HA LYS 81 HA LYS 81 -9.070 8.036 -9.770 599 1HB LYS 81 2HB LYS 81 -11.632 8.970 -11.066 600 2HB LYS 81 1HB LYS 81 -10.171 8.628 -11.985 601 1HG LYS 81 2HG LYS 81 -10.197 6.319 -11.070 602 2HG LYS 81 1HG LYS 81 -11.743 6.686 -10.304 603 1HD LYS 81 2HD LYS 81 -12.758 7.093 -12.469 604 2HD LYS 81 1HD LYS 81 -11.204 6.852 -13.270 605 1HE LYS 81 2HE LYS 81 -12.627 4.749 -11.640 606 2HE LYS 81 1HE LYS 81 -12.728 4.883 -13.394 607 1HZ LYS 81 1HZ LYS 81 -11.058 3.250 -12.489 608 2HZ LYS 81 2HZ LYS 81 -10.142 4.583 -11.975 609 3HZ LYS 81 3HZ LYS 81 -10.462 4.359 -13.623 610 H ALA 82 H ALA 82 -8.418 9.623 -11.790 611 HA ALA 82 HA ALA 82 -8.069 12.254 -10.517 612 1HB ALA 82 1HB ALA 82 -5.957 10.693 -11.997 613 2HB ALA 82 2HB ALA 82 -6.054 10.893 -10.247 614 3HB ALA 82 3HB ALA 82 -5.763 12.293 -11.281 Start of MODEL 6 1 H LYS 5 H LYS 5 -11.224 2.731 5.794 2 HA LYS 5 HA LYS 5 -11.890 0.665 3.816 3 1HB LYS 5 2HB LYS 5 -13.543 2.159 2.801 4 2HB LYS 5 1HB LYS 5 -13.964 1.817 4.471 5 1HG LYS 5 2HG LYS 5 -13.133 3.983 5.164 6 2HG LYS 5 1HG LYS 5 -12.600 4.327 3.518 7 1HD LYS 5 2HD LYS 5 -14.691 5.454 3.907 8 2HD LYS 5 1HD LYS 5 -14.961 4.132 2.769 9 1HE LYS 5 2HE LYS 5 -15.824 2.744 4.584 10 2HE LYS 5 1HE LYS 5 -15.534 4.052 5.730 11 1HZ LYS 5 1HZ LYS 5 -17.846 3.992 5.050 12 2HZ LYS 5 2HZ LYS 5 -17.398 4.153 3.419 13 3HZ LYS 5 3HZ LYS 5 -17.109 5.423 4.506 14 H LEU 6 H LEU 6 -10.283 3.598 4.686 15 HA LEU 6 HA LEU 6 -9.526 4.434 2.069 16 1HB LEU 6 2HB LEU 6 -8.689 5.145 4.845 17 2HB LEU 6 1HB LEU 6 -7.653 5.617 3.515 18 HG LEU 6 HG LEU 6 -9.082 7.461 4.113 19 1HD1 LEU 6 1HD1 LEU 6 -10.108 7.926 1.968 20 2HD1 LEU 6 2HD1 LEU 6 -9.998 6.222 1.527 21 3HD1 LEU 6 3HD1 LEU 6 -8.529 7.169 1.756 22 1HD2 LEU 6 1HD2 LEU 6 -11.507 7.352 3.943 23 2HD2 LEU 6 2HD2 LEU 6 -10.907 6.210 5.143 24 3HD2 LEU 6 3HD2 LEU 6 -11.413 5.634 3.557 25 H ARG 7 H ARG 7 -8.204 2.208 4.407 26 HA ARG 7 HA ARG 7 -5.579 2.064 3.382 27 1HB ARG 7 2HB ARG 7 -5.291 0.123 4.718 28 2HB ARG 7 1HB ARG 7 -6.351 1.199 5.615 29 1HG ARG 7 2HG ARG 7 -8.286 -0.140 4.756 30 2HG ARG 7 1HG ARG 7 -7.110 -1.285 4.104 31 1HD ARG 7 2HD ARG 7 -7.499 -0.519 6.994 32 2HD ARG 7 1HD ARG 7 -7.873 -2.070 6.247 33 HE ARG 7 HE ARG 7 -5.382 -2.193 5.830 34 1HH1 ARG 7 1HH1 ARG 7 -6.719 -0.404 8.544 35 2HH1 ARG 7 2HH1 ARG 7 -5.312 -0.662 9.542 36 1HH2 ARG 7 1HH2 ARG 7 -3.576 -2.541 7.197 37 2HH2 ARG 7 2HH2 ARG 7 -3.574 -1.873 8.798 38 H TYR 8 H TYR 8 -8.539 0.914 2.188 39 HA TYR 8 HA TYR 8 -7.479 -1.159 0.513 40 1HB TYR 8 2HB TYR 8 -9.775 -1.355 1.119 41 2HB TYR 8 1HB TYR 8 -10.122 0.298 0.637 42 HD1 TYR 8 HD1 TYR 8 -11.738 0.155 -1.010 43 HD2 TYR 8 HD2 TYR 8 -8.357 -2.421 -1.222 44 HE1 TYR 8 HE1 TYR 8 -12.480 -0.631 -3.214 45 HE2 TYR 8 HE2 TYR 8 -9.092 -3.212 -3.430 46 HH TYR 8 HH TYR 8 -10.908 -3.318 -4.822 47 H ALA 9 H ALA 9 -8.450 2.216 0.111 48 HA ALA 9 HA ALA 9 -7.885 2.312 -2.674 49 1HB ALA 9 1HB ALA 9 -9.479 3.831 -1.659 50 2HB ALA 9 2HB ALA 9 -8.168 4.738 -2.422 51 3HB ALA 9 3HB ALA 9 -8.202 4.538 -0.669 52 H ILE 10 H ILE 10 -6.039 2.793 0.226 53 HA ILE 10 HA ILE 10 -3.864 4.253 -0.604 54 HB ILE 10 HB ILE 10 -3.966 1.897 1.281 55 1HG1 ILE 10 2HG1 ILE 10 -3.842 4.888 1.712 56 2HG1 ILE 10 1HG1 ILE 10 -5.244 3.858 1.969 57 1HG2 ILE 10 1HG2 ILE 10 -1.687 2.094 0.433 58 2HG2 ILE 10 2HG2 ILE 10 -1.777 2.590 2.123 59 3HG2 ILE 10 3HG2 ILE 10 -1.672 3.807 0.850 60 1HD1 ILE 10 1HD1 ILE 10 -2.663 3.761 3.511 61 2HD1 ILE 10 2HD1 ILE 10 -4.050 2.699 3.762 62 3HD1 ILE 10 3HD1 ILE 10 -4.196 4.431 4.070 63 H LEU 11 H LEU 11 -4.536 0.847 -1.240 64 HA LEU 11 HA LEU 11 -2.052 0.061 -2.230 65 1HB LEU 11 2HB LEU 11 -4.831 -0.860 -2.918 66 2HB LEU 11 1HB LEU 11 -3.389 -1.626 -3.556 67 HG LEU 11 HG LEU 11 -4.057 -1.413 -0.621 68 1HD1 LEU 11 1HD1 LEU 11 -4.278 -3.754 -2.508 69 2HD1 LEU 11 2HD1 LEU 11 -5.627 -2.874 -1.792 70 3HD1 LEU 11 3HD1 LEU 11 -4.539 -3.808 -0.764 71 1HD2 LEU 11 1HD2 LEU 11 -1.919 -2.965 -2.074 72 2HD2 LEU 11 2HD2 LEU 11 -2.228 -3.001 -0.338 73 3HD2 LEU 11 3HD2 LEU 11 -1.655 -1.518 -1.102 74 H LYS 12 H LYS 12 -4.640 1.844 -3.785 75 HA LYS 12 HA LYS 12 -3.583 1.551 -6.434 76 1HB LYS 12 2HB LYS 12 -5.972 1.971 -6.031 77 2HB LYS 12 1HB LYS 12 -5.579 3.540 -5.350 78 1HG LYS 12 2HG LYS 12 -4.789 4.321 -7.482 79 2HG LYS 12 1HG LYS 12 -5.029 2.721 -8.190 80 1HD LYS 12 2HD LYS 12 -6.865 4.267 -8.745 81 2HD LYS 12 1HD LYS 12 -7.423 2.882 -7.806 82 1HE LYS 12 2HE LYS 12 -7.268 4.304 -5.760 83 2HE LYS 12 1HE LYS 12 -6.906 5.677 -6.801 84 1HZ LYS 12 1HZ LYS 12 -9.051 5.375 -7.878 85 2HZ LYS 12 2HZ LYS 12 -9.239 5.606 -6.214 86 3HZ LYS 12 3HZ LYS 12 -9.394 4.054 -6.876 87 H GLU 13 H GLU 13 -3.627 4.175 -4.034 88 HA GLU 13 HA GLU 13 -2.140 6.033 -5.495 89 1HB GLU 13 2HB GLU 13 -2.655 5.579 -2.590 90 2HB GLU 13 1HB GLU 13 -1.421 6.738 -3.051 91 1HG GLU 13 2HG GLU 13 -3.746 7.642 -2.616 92 2HG GLU 13 1HG GLU 13 -2.958 8.144 -4.106 93 H ILE 14 H ILE 14 -1.085 3.386 -3.401 94 HA ILE 14 HA ILE 14 1.698 3.885 -3.618 95 HB ILE 14 HB ILE 14 0.211 1.304 -3.095 96 1HG1 ILE 14 2HG1 ILE 14 1.665 3.200 -1.237 97 2HG1 ILE 14 1HG1 ILE 14 -0.083 3.045 -1.380 98 1HG2 ILE 14 1HG2 ILE 14 2.417 0.818 -4.011 99 2HG2 ILE 14 2HG2 ILE 14 2.340 0.398 -2.300 100 3HG2 ILE 14 3HG2 ILE 14 3.161 1.875 -2.810 101 1HD1 ILE 14 1HD1 ILE 14 0.052 0.751 -0.571 102 2HD1 ILE 14 2HD1 ILE 14 0.756 1.885 0.581 103 3HD1 ILE 14 3HD1 ILE 14 1.805 0.897 -0.437 104 H PHE 15 H PHE 15 -0.534 1.852 -5.476 105 HA PHE 15 HA PHE 15 1.386 0.678 -7.163 106 1HB PHE 15 2HB PHE 15 -0.833 -0.273 -6.869 107 2HB PHE 15 1HB PHE 15 -1.569 1.150 -7.594 108 HD1 PHE 15 HD1 PHE 15 -2.226 1.000 -9.777 109 HD2 PHE 15 HD2 PHE 15 0.999 -1.427 -8.430 110 HE1 PHE 15 HE1 PHE 15 -2.103 -0.058 -11.997 111 HE2 PHE 15 HE2 PHE 15 1.130 -2.489 -10.647 112 HZ PHE 15 HZ PHE 15 -0.422 -1.804 -12.432 113 H GLU 16 H GLU 16 -0.723 3.519 -7.672 114 HA GLU 16 HA GLU 16 0.134 4.012 -10.323 115 1HB GLU 16 2HB GLU 16 -0.880 6.101 -8.397 116 2HB GLU 16 1HB GLU 16 -0.934 6.152 -10.149 117 1HG GLU 16 2HG GLU 16 -2.460 4.101 -9.979 118 2HG GLU 16 1HG GLU 16 -2.588 4.508 -8.273 119 H GLY 17 H GLY 17 1.282 5.154 -7.192 120 1HA GLY 17 2HA GLY 17 3.167 6.998 -8.373 121 2HA GLY 17 1HA GLY 17 3.009 6.613 -6.665 122 H ASN 18 H ASN 18 3.186 3.711 -7.274 123 HA ASN 18 HA ASN 18 4.736 2.060 -7.296 124 1HB ASN 18 2HB ASN 18 5.085 2.990 -9.646 125 2HB ASN 18 1HB ASN 18 6.472 3.856 -8.999 126 1HD2 ASN 18 1HD2 ASN 18 5.505 0.647 -7.957 127 2HD2 ASN 18 2HD2 ASN 18 6.868 -0.178 -8.623 128 H THR 19 H THR 19 4.752 4.232 -5.360 129 HA THR 19 HA THR 19 5.864 5.081 -3.607 130 HB THR 19 HB THR 19 7.661 3.641 -2.575 131 HG1 THR 19 HG1 THR 19 7.740 2.526 -4.960 132 1HG2 THR 19 1HG2 THR 19 5.318 3.467 -1.936 133 2HG2 THR 19 2HG2 THR 19 6.091 1.882 -1.924 134 3HG2 THR 19 3HG2 THR 19 5.029 2.337 -3.258 135 HA PRO 20 HA PRO 20 7.564 5.063 -1.913 136 1HB PRO 20 2HB PRO 20 9.058 6.847 -0.604 137 2HB PRO 20 1HB PRO 20 9.776 5.391 -1.303 138 1HG PRO 20 2HG PRO 20 9.853 8.200 -2.289 139 2HG PRO 20 1HG PRO 20 11.103 6.947 -2.362 140 1HD PRO 20 2HD PRO 20 9.369 7.670 -4.438 141 2HD PRO 20 1HD PRO 20 10.352 6.196 -4.363 142 H LEU 21 H LEU 21 6.205 6.112 -0.410 143 HA LEU 21 HA LEU 21 5.771 8.955 -0.595 144 1HB LEU 21 2HB LEU 21 3.443 8.952 -0.998 145 2HB LEU 21 1HB LEU 21 4.149 7.942 -2.241 146 HG LEU 21 HG LEU 21 2.873 6.779 0.235 147 1HD1 LEU 21 1HD1 LEU 21 1.218 8.164 -0.903 148 2HD1 LEU 21 2HD1 LEU 21 0.858 6.451 -1.112 149 3HD1 LEU 21 3HD1 LEU 21 1.589 7.366 -2.432 150 1HD2 LEU 21 1HD2 LEU 21 2.601 4.820 -1.258 151 2HD2 LEU 21 2HD2 LEU 21 4.290 5.240 -0.960 152 3HD2 LEU 21 3HD2 LEU 21 3.529 5.674 -2.492 153 H SER 22 H SER 22 5.496 9.765 1.378 154 HA SER 22 HA SER 22 5.376 7.908 3.595 155 1HB SER 22 2HB SER 22 5.644 10.926 3.566 156 2HB SER 22 1HB SER 22 5.827 9.893 4.985 157 HG SER 22 HG SER 22 7.630 10.508 3.072 158 H GLU 23 H GLU 23 3.976 8.595 5.508 159 HA GLU 23 HA GLU 23 1.285 8.394 4.858 160 1HB GLU 23 2HB GLU 23 1.129 9.451 7.337 161 2HB GLU 23 1HB GLU 23 1.511 7.769 7.017 162 1HG GLU 23 2HG GLU 23 3.025 8.601 8.661 163 2HG GLU 23 1HG GLU 23 3.920 8.333 7.168 164 H ASN 24 H ASN 24 3.245 11.238 5.508 165 HA ASN 24 HA ASN 24 1.198 13.150 5.548 166 1HB ASN 24 2HB ASN 24 3.393 13.732 6.326 167 2HB ASN 24 1HB ASN 24 4.106 13.363 4.761 168 1HD2 ASN 24 1HD2 ASN 24 2.145 15.617 6.560 169 2HD2 ASN 24 2HD2 ASN 24 2.299 16.933 5.447 170 H ASP 25 H ASP 25 2.941 11.693 2.856 171 HA ASP 25 HA ASP 25 2.077 13.617 0.926 172 1HB ASP 25 2HB ASP 25 3.170 10.834 0.485 173 2HB ASP 25 1HB ASP 25 3.020 12.088 -0.740 174 H ILE 26 H ILE 26 0.974 10.424 1.923 175 HA ILE 26 HA ILE 26 -0.994 10.328 -0.186 176 HB ILE 26 HB ILE 26 0.083 8.257 0.509 177 1HG1 ILE 26 2HG1 ILE 26 -2.869 8.297 1.173 178 2HG1 ILE 26 1HG1 ILE 26 -2.174 8.146 -0.435 179 1HG2 ILE 26 1HG2 ILE 26 -1.275 8.689 3.164 180 2HG2 ILE 26 2HG2 ILE 26 0.459 8.748 2.851 181 3HG2 ILE 26 3HG2 ILE 26 -0.416 7.227 2.679 182 1HD1 ILE 26 1HD1 ILE 26 -1.199 6.016 0.160 183 2HD1 ILE 26 2HD1 ILE 26 -2.942 6.009 0.437 184 3HD1 ILE 26 3HD1 ILE 26 -1.832 6.167 1.798 185 H GLY 27 H GLY 27 -0.940 11.097 3.251 186 1HA GLY 27 2HA GLY 27 -2.548 12.752 4.001 187 2HA GLY 27 1HA GLY 27 -3.735 11.996 2.951 188 H VAL 28 H VAL 28 -1.546 10.242 5.080 189 HA VAL 28 HA VAL 28 -3.784 9.736 6.921 190 HB VAL 28 HB VAL 28 -3.049 7.398 7.210 191 1HG1 VAL 28 1HG1 VAL 28 -4.876 7.850 5.679 192 2HG1 VAL 28 2HG1 VAL 28 -3.893 6.515 5.075 193 3HG1 VAL 28 3HG1 VAL 28 -3.732 8.122 4.364 194 1HG2 VAL 28 1HG2 VAL 28 -1.212 7.964 4.886 195 2HG2 VAL 28 2HG2 VAL 28 -1.522 6.373 5.584 196 3HG2 VAL 28 3HG2 VAL 28 -0.722 7.619 6.547 197 H THR 29 H THR 29 -2.892 8.746 9.044 198 HA THR 29 HA THR 29 -0.674 10.424 9.854 199 HB THR 29 HB THR 29 -1.127 9.587 12.138 200 HG1 THR 29 HG1 THR 29 -2.790 8.162 12.488 201 1HG2 THR 29 1HG2 THR 29 -2.289 11.571 11.318 202 2HG2 THR 29 2HG2 THR 29 -3.319 10.638 12.406 203 3HG2 THR 29 3HG2 THR 29 -3.575 10.553 10.662 204 H GLU 30 H GLU 30 0.956 9.483 11.348 205 HA GLU 30 HA GLU 30 2.704 7.778 10.076 206 1HB GLU 30 2HB GLU 30 2.565 7.827 13.074 207 2HB GLU 30 1HB GLU 30 3.983 7.770 12.045 208 1HG GLU 30 2HG GLU 30 3.968 9.875 13.036 209 2HG GLU 30 1HG GLU 30 3.436 10.130 11.379 210 H ASP 31 H ASP 31 0.661 7.028 12.840 211 HA ASP 31 HA ASP 31 1.546 4.316 12.940 212 1HB ASP 31 2HB ASP 31 -0.132 6.145 14.531 213 2HB ASP 31 1HB ASP 31 -0.472 4.421 14.728 214 H GLN 32 H GLN 32 -1.097 5.947 11.439 215 HA GLN 32 HA GLN 32 -2.689 3.569 11.094 216 1HB GLN 32 2HB GLN 32 -2.813 6.326 9.884 217 2HB GLN 32 1HB GLN 32 -3.898 5.034 9.393 218 1HG GLN 32 2HG GLN 32 -3.630 5.874 12.258 219 2HG GLN 32 1HG GLN 32 -4.737 6.674 11.142 220 1HE2 GLN 32 1HE2 GLN 32 -6.526 5.610 10.420 221 2HE2 GLN 32 2HE2 GLN 32 -7.116 4.144 11.132 222 H PHE 33 H PHE 33 -0.321 5.393 9.238 223 HA PHE 33 HA PHE 33 -0.486 3.901 6.846 224 1HB PHE 33 2HB PHE 33 0.643 6.123 7.108 225 2HB PHE 33 1HB PHE 33 1.934 5.318 7.991 226 HD1 PHE 33 HD1 PHE 33 0.247 5.533 4.717 227 HD2 PHE 33 HD2 PHE 33 3.688 4.244 6.854 228 HE1 PHE 33 HE1 PHE 33 1.399 5.109 2.587 229 HE2 PHE 33 HE2 PHE 33 4.848 3.811 4.728 230 HZ PHE 33 HZ PHE 33 3.706 4.248 2.593 231 H ASP 34 H ASP 34 1.565 3.615 9.714 232 HA ASP 34 HA ASP 34 3.055 1.372 8.953 233 1HB ASP 34 2HB ASP 34 3.748 2.621 10.857 234 2HB ASP 34 1HB ASP 34 2.190 2.418 11.648 235 H ASP 35 H ASP 35 0.038 1.560 10.831 236 HA ASP 35 HA ASP 35 -0.445 -1.163 11.150 237 1HB ASP 35 2HB ASP 35 -1.760 0.505 12.326 238 2HB ASP 35 1HB ASP 35 -2.404 1.121 10.809 239 H ALA 36 H ALA 36 -1.225 0.989 8.474 240 HA ALA 36 HA ALA 36 -2.762 -0.791 6.949 241 1HB ALA 36 1HB ALA 36 -2.705 1.606 6.513 242 2HB ALA 36 2HB ALA 36 -2.290 0.692 5.065 243 3HB ALA 36 3HB ALA 36 -1.022 1.482 5.999 244 H VAL 37 H VAL 37 0.689 0.049 6.604 245 HA VAL 37 HA VAL 37 1.227 -1.666 4.471 246 HB VAL 37 HB VAL 37 3.141 -0.741 6.618 247 1HG1 VAL 37 1HG1 VAL 37 4.889 -1.134 4.936 248 2HG1 VAL 37 2HG1 VAL 37 3.677 -1.820 3.852 249 3HG1 VAL 37 3HG1 VAL 37 4.051 -2.622 5.379 250 1HG2 VAL 37 1HG2 VAL 37 2.050 1.123 5.512 251 2HG2 VAL 37 2HG2 VAL 37 2.451 0.448 3.933 252 3HG2 VAL 37 3HG2 VAL 37 3.735 1.015 5.003 253 H ASN 38 H ASN 38 1.631 -2.240 7.960 254 HA ASN 38 HA ASN 38 2.827 -4.768 7.755 255 1HB ASN 38 2HB ASN 38 1.166 -3.519 9.944 256 2HB ASN 38 1HB ASN 38 1.951 -5.088 10.114 257 1HD2 ASN 38 1HD2 ASN 38 2.353 -2.467 11.486 258 2HD2 ASN 38 2HD2 ASN 38 4.038 -2.112 11.291 259 H PHE 39 H PHE 39 -0.566 -3.835 7.878 260 HA PHE 39 HA PHE 39 -1.587 -6.497 8.000 261 1HB PHE 39 2HB PHE 39 -2.952 -4.710 8.794 262 2HB PHE 39 1HB PHE 39 -2.805 -3.838 7.277 263 HD1 PHE 39 HD1 PHE 39 -3.933 -7.254 8.325 264 HD2 PHE 39 HD2 PHE 39 -4.721 -3.730 6.084 265 HE1 PHE 39 HE1 PHE 39 -6.087 -8.200 7.595 266 HE2 PHE 39 HE2 PHE 39 -6.874 -4.654 5.356 267 HZ PHE 39 HZ PHE 39 -7.560 -6.904 6.103 268 H LEU 40 H LEU 40 -0.983 -4.197 5.382 269 HA LEU 40 HA LEU 40 -2.166 -5.762 3.338 270 1HB LEU 40 2HB LEU 40 -0.046 -3.621 3.163 271 2HB LEU 40 1HB LEU 40 -0.925 -4.278 1.797 272 HG LEU 40 HG LEU 40 -2.172 -2.759 4.088 273 1HD1 LEU 40 1HD1 LEU 40 -2.493 -0.972 2.453 274 2HD1 LEU 40 2HD1 LEU 40 -1.601 -1.908 1.254 275 3HD1 LEU 40 3HD1 LEU 40 -0.782 -1.321 2.702 276 1HD2 LEU 40 1HD2 LEU 40 -4.181 -2.753 2.686 277 2HD2 LEU 40 2HD2 LEU 40 -3.695 -4.394 3.117 278 3HD2 LEU 40 3HD2 LEU 40 -3.353 -3.767 1.503 279 H LYS 41 H LYS 41 1.113 -5.536 4.614 280 HA LYS 41 HA LYS 41 2.299 -7.249 2.676 281 1HB LYS 41 2HB LYS 41 3.448 -5.590 4.281 282 2HB LYS 41 1HB LYS 41 3.300 -6.847 5.495 283 1HG LYS 41 2HG LYS 41 4.696 -7.283 2.867 284 2HG LYS 41 1HG LYS 41 5.521 -6.678 4.302 285 1HD LYS 41 2HD LYS 41 4.951 -8.701 5.515 286 2HD LYS 41 1HD LYS 41 4.027 -9.294 4.135 287 1HE LYS 41 2HE LYS 41 6.115 -9.242 2.792 288 2HE LYS 41 1HE LYS 41 6.997 -8.805 4.251 289 1HZ LYS 41 1HZ LYS 41 5.427 -11.299 3.883 290 2HZ LYS 41 2HZ LYS 41 6.325 -10.890 5.258 291 3HZ LYS 41 3HZ LYS 41 7.116 -11.183 3.785 292 H ARG 42 H ARG 42 0.760 -7.731 5.792 293 HA ARG 42 HA ARG 42 1.589 -10.317 6.380 294 1HB ARG 42 2HB ARG 42 0.291 -8.678 7.833 295 2HB ARG 42 1HB ARG 42 -1.153 -9.232 7.000 296 1HG ARG 42 2HG ARG 42 -0.558 -11.559 7.743 297 2HG ARG 42 1HG ARG 42 0.686 -10.824 8.756 298 1HD ARG 42 2HD ARG 42 -2.293 -10.463 8.915 299 2HD ARG 42 1HD ARG 42 -1.214 -11.142 10.131 300 HE ARG 42 HE ARG 42 -1.064 -8.305 9.352 301 1HH1 ARG 42 1HH1 ARG 42 -1.251 -10.815 11.770 302 2HH1 ARG 42 2HH1 ARG 42 -1.282 -9.714 13.115 303 1HH2 ARG 42 1HH2 ARG 42 -1.089 -6.822 11.117 304 2HH2 ARG 42 2HH2 ARG 42 -1.172 -7.440 12.743 305 H GLU 43 H GLU 43 -1.525 -9.371 4.945 306 HA GLU 43 HA GLU 43 -2.218 -12.043 4.269 307 1HB GLU 43 2HB GLU 43 -3.395 -9.350 3.792 308 2HB GLU 43 1HB GLU 43 -3.961 -10.691 2.806 309 1HG GLU 43 2HG GLU 43 -5.280 -10.174 4.904 310 2HG GLU 43 1HG GLU 43 -4.803 -11.851 4.658 311 H GLY 44 H GLY 44 -0.648 -9.430 2.537 312 1HA GLY 44 2HA GLY 44 0.978 -10.084 0.870 313 2HA GLY 44 1HA GLY 44 -0.106 -11.379 0.392 314 H TYR 45 H TYR 45 -0.446 -7.855 0.811 315 HA TYR 45 HA TYR 45 -1.602 -7.740 -1.887 316 1HB TYR 45 2HB TYR 45 -1.695 -5.771 0.402 317 2HB TYR 45 1HB TYR 45 -2.292 -5.410 -1.212 318 HD1 TYR 45 HD1 TYR 45 -3.159 -6.666 1.978 319 HD2 TYR 45 HD2 TYR 45 -4.047 -7.103 -2.167 320 HE1 TYR 45 HE1 TYR 45 -5.323 -7.681 2.549 321 HE2 TYR 45 HE2 TYR 45 -6.216 -8.112 -1.599 322 HH TYR 45 HH TYR 45 -7.555 -7.979 1.492 323 H ILE 46 H ILE 46 1.122 -6.772 0.014 324 HA ILE 46 HA ILE 46 2.418 -5.825 -2.412 325 HB ILE 46 HB ILE 46 3.545 -4.013 -0.879 326 1HG1 ILE 46 2HG1 ILE 46 1.601 -2.960 0.509 327 2HG1 ILE 46 1HG1 ILE 46 0.954 -4.597 0.523 328 1HG2 ILE 46 1HG2 ILE 46 2.361 -3.549 -2.933 329 2HG2 ILE 46 2HG2 ILE 46 1.946 -2.361 -1.700 330 3HG2 ILE 46 3HG2 ILE 46 0.817 -3.655 -2.091 331 1HD1 ILE 46 1HD1 ILE 46 2.985 -5.394 1.592 332 2HD1 ILE 46 2HD1 ILE 46 2.225 -4.111 2.533 333 3HD1 ILE 46 3HD1 ILE 46 3.652 -3.762 1.558 334 H ILE 47 H ILE 47 4.574 -6.267 -2.524 335 HA ILE 47 HA ILE 47 5.842 -7.422 -0.131 336 HB ILE 47 HB ILE 47 7.042 -9.056 -1.442 337 1HG1 ILE 47 2HG1 ILE 47 7.038 -7.678 -3.586 338 2HG1 ILE 47 1HG1 ILE 47 6.810 -9.409 -3.775 339 1HG2 ILE 47 1HG2 ILE 47 4.078 -9.192 -1.960 340 2HG2 ILE 47 2HG2 ILE 47 4.925 -9.758 -0.522 341 3HG2 ILE 47 3HG2 ILE 47 5.197 -10.550 -2.073 342 1HD1 ILE 47 1HD1 ILE 47 5.346 -8.164 -5.249 343 2HD1 ILE 47 2HD1 ILE 47 4.645 -7.320 -3.867 344 3HD1 ILE 47 3HD1 ILE 47 4.408 -9.058 -4.056 345 H GLY 48 H GLY 48 8.266 -7.395 -0.303 346 1HA GLY 48 2HA GLY 48 10.272 -6.410 -1.015 347 2HA GLY 48 1HA GLY 48 9.353 -5.393 -2.123 348 H VAL 49 H VAL 49 8.312 -5.673 1.148 349 HA VAL 49 HA VAL 49 8.549 -2.846 1.515 350 HB VAL 49 HB VAL 49 7.775 -4.973 3.521 351 1HG1 VAL 49 1HG1 VAL 49 7.342 -1.986 3.570 352 2HG1 VAL 49 2HG1 VAL 49 8.459 -2.889 4.593 353 3HG1 VAL 49 3HG1 VAL 49 6.720 -3.136 4.752 354 1HG2 VAL 49 1HG2 VAL 49 6.296 -4.984 1.589 355 2HG2 VAL 49 2HG2 VAL 49 6.053 -3.243 1.747 356 3HG2 VAL 49 3HG2 VAL 49 5.466 -4.335 3.003 357 H HIS 50 H HIS 50 10.035 -1.717 2.639 358 HA HIS 50 HA HIS 50 12.425 -3.150 3.472 359 1HB HIS 50 2HB HIS 50 11.812 -0.214 3.120 360 2HB HIS 50 1HB HIS 50 13.330 -0.794 3.789 361 HD1 HIS 50 HD1 HIS 50 15.137 -0.965 2.135 362 HD2 HIS 50 HD2 HIS 50 11.394 -1.423 0.369 363 HE1 HIS 50 HE1 HIS 50 15.569 -1.171 -0.332 364 HE2 HIS 50 HE2 HIS 50 13.288 -1.268 -1.395 365 H TYR 51 H TYR 51 12.362 -3.949 5.474 366 HA TYR 51 HA TYR 51 11.100 -2.384 7.588 367 1HB TYR 51 2HB TYR 51 11.985 -5.237 7.364 368 2HB TYR 51 1HB TYR 51 11.790 -4.506 8.953 369 HD1 TYR 51 HD1 TYR 51 10.033 -5.581 5.904 370 HD2 TYR 51 HD2 TYR 51 9.607 -3.941 9.809 371 HE1 TYR 51 HE1 TYR 51 7.615 -6.011 5.819 372 HE2 TYR 51 HE2 TYR 51 7.187 -4.368 9.732 373 HH TYR 51 HH TYR 51 5.432 -4.737 8.174 374 H SER 52 H SER 52 12.233 -1.091 8.809 375 HA SER 52 HA SER 52 15.157 -1.205 8.660 376 1HB SER 52 2HB SER 52 13.797 0.886 8.080 377 2HB SER 52 1HB SER 52 13.452 1.015 9.802 378 HG SER 52 HG SER 52 15.355 1.816 10.100 379 H ASP 53 H ASP 53 13.611 -3.031 10.280 380 HA ASP 53 HA ASP 53 13.697 -4.072 12.281 381 1HB ASP 53 2HB ASP 53 16.075 -3.472 12.421 382 2HB ASP 53 1HB ASP 53 15.643 -1.913 13.120 383 H ASP 54 H ASP 54 13.605 -0.544 12.664 384 HA ASP 54 HA ASP 54 11.868 -0.521 14.891 385 1HB ASP 54 2HB ASP 54 12.253 1.553 12.715 386 2HB ASP 54 1HB ASP 54 11.383 1.826 14.217 387 H ARG 55 H ARG 55 11.025 0.589 11.636 388 HA ARG 55 HA ARG 55 8.484 -0.855 11.764 389 1HB ARG 55 2HB ARG 55 8.610 2.102 11.131 390 2HB ARG 55 1HB ARG 55 7.171 1.115 11.338 391 1HG ARG 55 2HG ARG 55 7.799 0.804 13.722 392 2HG ARG 55 1HG ARG 55 9.127 1.937 13.470 393 1HD ARG 55 2HD ARG 55 7.456 3.281 14.345 394 2HD ARG 55 1HD ARG 55 7.294 3.531 12.608 395 HE ARG 55 HE ARG 55 5.547 1.577 12.967 396 1HH1 ARG 55 1HH1 ARG 55 6.124 4.470 14.842 397 2HH1 ARG 55 2HH1 ARG 55 4.490 4.573 15.431 398 1HH2 ARG 55 1HH2 ARG 55 3.391 1.685 13.753 399 2HH2 ARG 55 2HH2 ARG 55 2.933 2.997 14.817 400 HA PRO 56 HA PRO 56 9.041 -1.265 7.349 401 1HB PRO 56 2HB PRO 56 6.522 -0.790 6.390 402 2HB PRO 56 1HB PRO 56 7.013 -2.314 7.140 403 1HG PRO 56 2HG PRO 56 5.528 -0.004 8.331 404 2HG PRO 56 1HG PRO 56 5.239 -1.744 8.526 405 1HD PRO 56 2HD PRO 56 6.504 -0.292 10.408 406 2HD PRO 56 1HD PRO 56 6.939 -1.981 10.077 407 H HIS 57 H HIS 57 9.752 0.040 5.779 408 HA HIS 57 HA HIS 57 8.513 2.683 5.481 409 1HB HIS 57 2HB HIS 57 11.451 2.063 5.697 410 2HB HIS 57 1HB HIS 57 10.892 3.475 4.808 411 HD1 HIS 57 HD1 HIS 57 10.095 5.489 6.157 412 HD2 HIS 57 HD2 HIS 57 11.023 2.181 8.508 413 HE1 HIS 57 HE1 HIS 57 10.103 6.324 8.529 414 HE2 HIS 57 HE2 HIS 57 10.602 4.301 9.949 415 H LEU 58 H LEU 58 8.513 3.504 3.379 416 HA LEU 58 HA LEU 58 8.956 1.460 1.305 417 1HB LEU 58 2HB LEU 58 6.983 3.750 1.304 418 2HB LEU 58 1HB LEU 58 7.171 2.554 0.034 419 HG LEU 58 HG LEU 58 6.209 2.022 2.847 420 1HD1 LEU 58 1HD1 LEU 58 4.746 1.883 0.219 421 2HD1 LEU 58 2HD1 LEU 58 4.591 3.177 1.411 422 3HD1 LEU 58 3HD1 LEU 58 4.083 1.538 1.818 423 1HD2 LEU 58 1HD2 LEU 58 5.786 -0.257 2.071 424 2HD2 LEU 58 2HD2 LEU 58 7.502 0.142 2.008 425 3HD2 LEU 58 3HD2 LEU 58 6.547 0.126 0.527 426 H TYR 59 H TYR 59 10.489 1.879 -0.102 427 HA TYR 59 HA TYR 59 11.461 4.644 -0.322 428 1HB TYR 59 2HB TYR 59 13.026 2.059 -0.415 429 2HB TYR 59 1HB TYR 59 13.702 3.634 -0.820 430 HD1 TYR 59 HD1 TYR 59 13.691 5.438 0.978 431 HD2 TYR 59 HD2 TYR 59 12.936 1.339 1.818 432 HE1 TYR 59 HE1 TYR 59 14.181 5.841 3.355 433 HE2 TYR 59 HE2 TYR 59 13.432 1.727 4.193 434 HH TYR 59 HH TYR 59 14.689 3.324 5.584 435 H LYS 60 H LYS 60 13.251 4.198 -2.410 436 HA LYS 60 HA LYS 60 11.537 4.757 -4.559 437 1HB LYS 60 2HB LYS 60 14.458 3.995 -4.667 438 2HB LYS 60 1HB LYS 60 13.558 4.859 -5.908 439 1HG LYS 60 2HG LYS 60 13.221 6.724 -4.354 440 2HG LYS 60 1HG LYS 60 14.149 5.861 -3.127 441 1HD LYS 60 2HD LYS 60 15.569 7.487 -4.219 442 2HD LYS 60 1HD LYS 60 16.094 5.859 -4.647 443 1HE LYS 60 2HE LYS 60 16.095 7.327 -6.596 444 2HE LYS 60 1HE LYS 60 14.928 6.017 -6.776 445 1HZ LYS 60 1HZ LYS 60 14.057 8.194 -7.483 446 2HZ LYS 60 2HZ LYS 60 14.237 8.772 -5.901 447 3HZ LYS 60 3HZ LYS 60 13.152 7.511 -6.227 448 H LEU 61 H LEU 61 13.589 1.911 -3.943 449 HA LEU 61 HA LEU 61 11.932 0.446 -5.896 450 1HB LEU 61 2HB LEU 61 14.878 0.143 -5.317 451 2HB LEU 61 1HB LEU 61 13.950 -1.037 -6.219 452 HG LEU 61 HG LEU 61 13.387 0.910 -7.813 453 1HD1 LEU 61 1HD1 LEU 61 14.192 2.716 -6.368 454 2HD1 LEU 61 2HD1 LEU 61 15.044 2.689 -7.912 455 3HD1 LEU 61 3HD1 LEU 61 15.825 2.058 -6.462 456 1HD2 LEU 61 1HD2 LEU 61 16.202 -0.149 -7.636 457 2HD2 LEU 61 2HD2 LEU 61 15.445 0.540 -9.071 458 3HD2 LEU 61 3HD2 LEU 61 14.833 -0.968 -8.391 459 H GLY 62 H GLY 62 10.992 -1.387 -5.209 460 1HA GLY 62 2HA GLY 62 11.731 -3.379 -3.655 461 2HA GLY 62 1HA GLY 62 11.469 -2.152 -2.426 462 HA PRO 63 HA PRO 63 7.242 -2.974 -2.073 463 1HB PRO 63 2HB PRO 63 6.399 -0.250 -2.830 464 2HB PRO 63 1HB PRO 63 6.203 -1.105 -1.298 465 1HG PRO 63 2HG PRO 63 7.954 0.899 -1.550 466 2HG PRO 63 1HG PRO 63 8.309 -0.519 -0.545 467 1HD PRO 63 2HD PRO 63 9.271 0.138 -3.304 468 2HD PRO 63 1HD PRO 63 10.166 -0.553 -1.932 469 H GLU 64 H GLU 64 6.575 -4.334 -3.611 470 HA GLU 64 HA GLU 64 5.423 -3.148 -6.046 471 1HB GLU 64 2HB GLU 64 6.638 -5.860 -5.554 472 2HB GLU 64 1HB GLU 64 5.569 -5.558 -6.917 473 1HG GLU 64 2HG GLU 64 8.181 -4.175 -6.359 474 2HG GLU 64 1HG GLU 64 7.883 -5.401 -7.593 475 H LEU 65 H LEU 65 3.303 -3.518 -6.483 476 HA LEU 65 HA LEU 65 1.641 -4.681 -4.457 477 1HB LEU 65 2HB LEU 65 1.275 -2.983 -6.669 478 2HB LEU 65 1HB LEU 65 0.341 -4.426 -7.020 479 HG LEU 65 HG LEU 65 -0.584 -4.086 -4.600 480 1HD1 LEU 65 1HD1 LEU 65 0.921 -2.313 -3.944 481 2HD1 LEU 65 2HD1 LEU 65 -0.738 -1.713 -3.987 482 3HD1 LEU 65 3HD1 LEU 65 0.378 -1.317 -5.294 483 1HD2 LEU 65 1HD2 LEU 65 -1.947 -3.979 -6.587 484 2HD2 LEU 65 2HD2 LEU 65 -1.370 -2.349 -6.931 485 3HD2 LEU 65 3HD2 LEU 65 -2.368 -2.651 -5.505 486 H THR 66 H THR 66 0.553 -6.646 -4.531 487 HA THR 66 HA THR 66 1.781 -8.676 -6.187 488 HB THR 66 HB THR 66 0.370 -10.260 -4.921 489 HG1 THR 66 HG1 THR 66 -0.805 -9.216 -3.069 490 1HG2 THR 66 1HG2 THR 66 1.794 -8.229 -3.191 491 2HG2 THR 66 2HG2 THR 66 2.529 -9.622 -3.984 492 3HG2 THR 66 3HG2 THR 66 1.352 -9.862 -2.693 493 H GLU 67 H GLU 67 0.348 -10.301 -7.277 494 HA GLU 67 HA GLU 67 -1.404 -9.138 -9.143 495 1HB GLU 67 2HB GLU 67 -0.226 -11.278 -9.490 496 2HB GLU 67 1HB GLU 67 -1.214 -12.018 -8.240 497 1HG GLU 67 2HG GLU 67 -3.218 -11.586 -9.599 498 2HG GLU 67 1HG GLU 67 -2.186 -10.926 -10.868 499 H LYS 68 H LYS 68 -1.906 -10.691 -6.031 500 HA LYS 68 HA LYS 68 -4.709 -10.740 -5.999 501 1HB LYS 68 2HB LYS 68 -3.373 -11.869 -4.292 502 2HB LYS 68 1HB LYS 68 -2.765 -10.322 -3.714 503 1HG LYS 68 2HG LYS 68 -4.914 -9.694 -2.899 504 2HG LYS 68 1HG LYS 68 -5.673 -11.087 -3.670 505 1HD LYS 68 2HD LYS 68 -3.590 -11.268 -1.498 506 2HD LYS 68 1HD LYS 68 -5.329 -11.354 -1.218 507 1HE LYS 68 2HE LYS 68 -3.709 -13.241 -2.926 508 2HE LYS 68 1HE LYS 68 -4.323 -13.583 -1.308 509 1HZ LYS 68 1HZ LYS 68 -5.947 -13.079 -3.752 510 2HZ LYS 68 2HZ LYS 68 -6.592 -13.287 -2.198 511 3HZ LYS 68 3HZ LYS 68 -5.762 -14.562 -2.947 512 H GLY 69 H GLY 69 -2.415 -8.225 -4.949 513 1HA GLY 69 2HA GLY 69 -4.364 -6.328 -4.183 514 2HA GLY 69 1HA GLY 69 -2.693 -5.975 -4.598 515 H GLU 70 H GLU 70 -2.750 -6.967 -7.247 516 HA GLU 70 HA GLU 70 -3.607 -4.738 -8.691 517 1HB GLU 70 2HB GLU 70 -1.905 -6.436 -9.401 518 2HB GLU 70 1HB GLU 70 -3.218 -7.545 -9.750 519 1HG GLU 70 2HG GLU 70 -3.181 -4.867 -11.053 520 2HG GLU 70 1HG GLU 70 -2.112 -6.136 -11.644 521 H ASN 71 H ASN 71 -5.105 -7.967 -8.487 522 HA ASN 71 HA ASN 71 -7.402 -7.193 -9.983 523 1HB ASN 71 2HB ASN 71 -6.818 -9.587 -8.248 524 2HB ASN 71 1HB ASN 71 -8.367 -9.364 -9.055 525 1HD2 ASN 71 1HD2 ASN 71 -5.003 -10.072 -9.452 526 2HD2 ASN 71 2HD2 ASN 71 -5.082 -10.521 -11.127 527 H TYR 72 H TYR 72 -6.583 -7.140 -6.606 528 HA TYR 72 HA TYR 72 -9.191 -6.764 -5.578 529 1HB TYR 72 2HB TYR 72 -6.903 -7.286 -4.390 530 2HB TYR 72 1HB TYR 72 -6.762 -5.535 -4.312 531 HD1 TYR 72 HD1 TYR 72 -7.389 -4.602 -2.299 532 HD2 TYR 72 HD2 TYR 72 -9.415 -8.097 -3.642 533 HE1 TYR 72 HE1 TYR 72 -8.747 -4.601 -0.248 534 HE2 TYR 72 HE2 TYR 72 -10.775 -8.100 -1.592 535 HH TYR 72 HH TYR 72 -10.990 -5.480 0.477 536 H LEU 73 H LEU 73 -6.836 -4.668 -7.051 537 HA LEU 73 HA LEU 73 -8.062 -2.201 -6.299 538 1HB LEU 73 2HB LEU 73 -5.966 -2.913 -8.317 539 2HB LEU 73 1HB LEU 73 -6.596 -1.286 -8.176 540 HG LEU 73 HG LEU 73 -5.046 -2.827 -6.107 541 1HD1 LEU 73 1HD1 LEU 73 -4.510 -0.250 -7.576 542 2HD1 LEU 73 2HD1 LEU 73 -3.731 -1.802 -7.888 543 3HD1 LEU 73 3HD1 LEU 73 -3.471 -0.977 -6.350 544 1HD2 LEU 73 1HD2 LEU 73 -5.284 -0.857 -4.678 545 2HD2 LEU 73 2HD2 LEU 73 -6.849 -1.601 -5.007 546 3HD2 LEU 73 3HD2 LEU 73 -6.373 -0.131 -5.858 547 H LYS 74 H LYS 74 -8.741 -4.499 -8.747 548 HA LYS 74 HA LYS 74 -9.600 -2.896 -10.844 549 1HB LYS 74 2HB LYS 74 -10.497 -5.613 -9.919 550 2HB LYS 74 1HB LYS 74 -11.185 -4.846 -11.345 551 1HG LYS 74 2HG LYS 74 -8.927 -4.698 -12.325 552 2HG LYS 74 1HG LYS 74 -8.284 -5.542 -10.913 553 1HD LYS 74 2HD LYS 74 -9.428 -7.524 -11.450 554 2HD LYS 74 1HD LYS 74 -10.485 -6.705 -12.598 555 1HE LYS 74 2HE LYS 74 -8.921 -7.938 -13.878 556 2HE LYS 74 1HE LYS 74 -8.439 -6.247 -13.990 557 1HZ LYS 74 1HZ LYS 74 -7.213 -8.258 -12.178 558 2HZ LYS 74 2HZ LYS 74 -6.711 -6.646 -12.360 559 3HZ LYS 74 3HZ LYS 74 -6.557 -7.736 -13.644 560 H GLU 75 H GLU 75 -11.215 -3.612 -7.826 561 HA GLU 75 HA GLU 75 -13.678 -2.323 -8.650 562 1HB GLU 75 2HB GLU 75 -12.763 -3.250 -5.919 563 2HB GLU 75 1HB GLU 75 -14.382 -2.692 -6.323 564 1HG GLU 75 2HG GLU 75 -13.103 -5.047 -7.670 565 2HG GLU 75 1HG GLU 75 -14.037 -5.189 -6.181 566 H ASN 76 H ASN 76 -10.719 -1.518 -7.085 567 HA ASN 76 HA ASN 76 -11.654 0.973 -5.937 568 1HB ASN 76 2HB ASN 76 -9.937 -0.461 -4.822 569 2HB ASN 76 1HB ASN 76 -8.844 -0.138 -6.160 570 1HD2 ASN 76 1HD2 ASN 76 -7.316 0.816 -4.868 571 2HD2 ASN 76 2HD2 ASN 76 -7.531 2.373 -4.155 572 H GLY 77 H GLY 77 -11.042 0.040 -8.970 573 1HA GLY 77 2HA GLY 77 -9.251 1.729 -10.165 574 2HA GLY 77 1HA GLY 77 -10.750 1.217 -10.923 575 H THR 78 H THR 78 -12.574 2.501 -9.240 576 HA THR 78 HA THR 78 -12.140 5.231 -10.102 577 HB THR 78 HB THR 78 -14.243 4.494 -10.790 578 HG1 THR 78 HG1 THR 78 -14.237 6.574 -9.747 579 1HG2 THR 78 1HG2 THR 78 -15.274 3.754 -8.096 580 2HG2 THR 78 2HG2 THR 78 -14.224 2.610 -8.929 581 3HG2 THR 78 3HG2 THR 78 -15.724 3.141 -9.686 582 H TRP 79 H TRP 79 -13.797 4.131 -7.107 583 HA TRP 79 HA TRP 79 -13.933 5.167 -5.086 584 1HB TRP 79 2HB TRP 79 -11.886 3.758 -4.864 585 2HB TRP 79 1HB TRP 79 -10.916 5.158 -5.316 586 HD1 TRP 79 HD1 TRP 79 -10.849 7.220 -3.530 587 HE1 TRP 79 HE1 TRP 79 -11.142 7.239 -0.974 588 HE3 TRP 79 HE3 TRP 79 -13.052 2.645 -2.944 589 HZ2 TRP 79 HZ2 TRP 79 -12.161 5.528 1.027 590 HZ3 TRP 79 HZ3 TRP 79 -13.650 1.910 -0.674 591 HH2 TRP 79 HH2 TRP 79 -13.213 3.322 1.268 592 H SER 80 H SER 80 -14.896 7.069 -5.900 593 HA SER 80 HA SER 80 -15.202 9.308 -5.941 594 1HB SER 80 2HB SER 80 -13.803 9.286 -3.854 595 2HB SER 80 1HB SER 80 -12.396 9.618 -4.864 596 HG SER 80 HG SER 80 -13.176 11.561 -4.116 597 H LYS 81 H LYS 81 -12.125 8.169 -7.248 598 HA LYS 81 HA LYS 81 -11.841 10.278 -9.145 599 1HB LYS 81 2HB LYS 81 -10.688 7.480 -9.114 600 2HB LYS 81 1HB LYS 81 -10.240 8.721 -10.276 601 1HG LYS 81 2HG LYS 81 -9.366 10.108 -8.475 602 2HG LYS 81 1HG LYS 81 -9.858 8.894 -7.293 603 1HD LYS 81 2HD LYS 81 -8.314 7.294 -8.197 604 2HD LYS 81 1HD LYS 81 -7.918 8.366 -9.543 605 1HE LYS 81 2HE LYS 81 -6.960 9.981 -7.974 606 2HE LYS 81 1HE LYS 81 -7.370 8.921 -6.626 607 1HZ LYS 81 1HZ LYS 81 -5.730 7.421 -7.193 608 2HZ LYS 81 2HZ LYS 81 -4.994 8.889 -7.605 609 3HZ LYS 81 3HZ LYS 81 -5.666 7.914 -8.815 610 H ALA 82 H ALA 82 -14.030 10.363 -9.878 611 HA ALA 82 HA ALA 82 -14.477 8.494 -12.112 612 1HB ALA 82 1HB ALA 82 -16.604 9.797 -10.407 613 2HB ALA 82 2HB ALA 82 -16.129 8.101 -10.335 614 3HB ALA 82 3HB ALA 82 -16.886 8.745 -11.791 Start of MODEL 7 1 H LYS 5 H LYS 5 -10.659 0.506 6.131 2 HA LYS 5 HA LYS 5 -11.214 -0.090 3.378 3 1HB LYS 5 2HB LYS 5 -12.042 2.233 5.132 4 2HB LYS 5 1HB LYS 5 -12.592 2.010 3.475 5 1HG LYS 5 2HG LYS 5 -13.505 -0.216 4.174 6 2HG LYS 5 1HG LYS 5 -13.131 0.232 5.839 7 1HD LYS 5 2HD LYS 5 -14.911 1.828 3.999 8 2HD LYS 5 1HD LYS 5 -15.496 0.658 5.182 9 1HE LYS 5 2HE LYS 5 -14.445 1.978 6.973 10 2HE LYS 5 1HE LYS 5 -13.910 3.156 5.775 11 1HZ LYS 5 1HZ LYS 5 -15.971 3.803 6.946 12 2HZ LYS 5 2HZ LYS 5 -16.756 2.453 6.279 13 3HZ LYS 5 3HZ LYS 5 -16.176 3.686 5.266 14 H LEU 6 H LEU 6 -8.758 1.497 4.959 15 HA LEU 6 HA LEU 6 -8.217 3.416 2.843 16 1HB LEU 6 2HB LEU 6 -6.770 2.769 5.411 17 2HB LEU 6 1HB LEU 6 -6.184 3.935 4.243 18 HG LEU 6 HG LEU 6 -7.225 5.172 5.963 19 1HD1 LEU 6 1HD1 LEU 6 -7.729 5.972 3.729 20 2HD1 LEU 6 2HD1 LEU 6 -9.068 6.289 4.833 21 3HD1 LEU 6 3HD1 LEU 6 -9.175 4.959 3.681 22 1HD2 LEU 6 1HD2 LEU 6 -9.645 3.399 5.670 23 2HD2 LEU 6 2HD2 LEU 6 -9.501 4.790 6.745 24 3HD2 LEU 6 3HD2 LEU 6 -8.492 3.367 7.002 25 H ARG 7 H ARG 7 -7.650 0.170 3.390 26 HA ARG 7 HA ARG 7 -4.931 -0.107 2.748 27 1HB ARG 7 2HB ARG 7 -5.369 -2.438 2.323 28 2HB ARG 7 1HB ARG 7 -6.252 -1.932 3.753 29 1HG ARG 7 2HG ARG 7 -8.314 -1.889 2.526 30 2HG ARG 7 1HG ARG 7 -7.464 -2.191 1.009 31 1HD ARG 7 2HD ARG 7 -8.552 -4.209 1.906 32 2HD ARG 7 1HD ARG 7 -6.804 -4.378 1.767 33 HE ARG 7 HE ARG 7 -7.146 -3.568 4.329 34 1HH1 ARG 7 1HH1 ARG 7 -8.522 -6.153 2.419 35 2HH1 ARG 7 2HH1 ARG 7 -8.707 -7.228 3.766 36 1HH2 ARG 7 1HH2 ARG 7 -7.417 -4.953 6.121 37 2HH2 ARG 7 2HH2 ARG 7 -8.098 -6.543 5.870 38 H TYR 8 H TYR 8 -7.807 -0.217 0.659 39 HA TYR 8 HA TYR 8 -6.451 -0.785 -1.728 40 1HB TYR 8 2HB TYR 8 -8.692 -1.026 -2.114 41 2HB TYR 8 1HB TYR 8 -9.131 0.292 -1.026 42 HD1 TYR 8 HD1 TYR 8 -9.418 2.493 -1.819 43 HD2 TYR 8 HD2 TYR 8 -7.934 -0.511 -4.435 44 HE1 TYR 8 HE1 TYR 8 -9.651 4.033 -3.702 45 HE2 TYR 8 HE2 TYR 8 -8.175 1.031 -6.341 46 HH TYR 8 HH TYR 8 -9.592 3.124 -6.860 47 H ALA 9 H ALA 9 -7.217 2.265 -0.137 48 HA ALA 9 HA ALA 9 -6.463 3.987 -2.197 49 1HB ALA 9 1HB ALA 9 -6.300 5.701 -0.457 50 2HB ALA 9 2HB ALA 9 -6.350 4.449 0.783 51 3HB ALA 9 3HB ALA 9 -7.749 4.715 -0.258 52 H ILE 10 H ILE 10 -4.604 2.831 0.608 53 HA ILE 10 HA ILE 10 -2.176 4.027 -0.086 54 HB ILE 10 HB ILE 10 -2.624 1.458 1.445 55 1HG1 ILE 10 2HG1 ILE 10 -2.304 4.328 2.358 56 2HG1 ILE 10 1HG1 ILE 10 -3.784 3.378 2.427 57 1HG2 ILE 10 1HG2 ILE 10 -0.208 3.265 1.361 58 2HG2 ILE 10 2HG2 ILE 10 -0.318 1.657 0.644 59 3HG2 ILE 10 3HG2 ILE 10 -0.408 1.849 2.395 60 1HD1 ILE 10 1HD1 ILE 10 -2.759 1.882 4.043 61 2HD1 ILE 10 2HD1 ILE 10 -2.707 3.553 4.603 62 3HD1 ILE 10 3HD1 ILE 10 -1.255 2.797 3.948 63 H LEU 11 H LEU 11 -3.532 0.874 -0.980 64 HA LEU 11 HA LEU 11 -1.337 -0.156 -2.371 65 1HB LEU 11 2HB LEU 11 -4.297 -0.547 -2.810 66 2HB LEU 11 1HB LEU 11 -3.076 -1.439 -3.694 67 HG LEU 11 HG LEU 11 -3.426 -1.509 -0.697 68 1HD1 LEU 11 1HD1 LEU 11 -4.303 -3.756 -1.052 69 2HD1 LEU 11 2HD1 LEU 11 -4.177 -3.537 -2.798 70 3HD1 LEU 11 3HD1 LEU 11 -5.301 -2.550 -1.864 71 1HD2 LEU 11 1HD2 LEU 11 -1.692 -3.155 -2.532 72 2HD2 LEU 11 2HD2 LEU 11 -1.863 -3.371 -0.790 73 3HD2 LEU 11 3HD2 LEU 11 -1.126 -1.901 -1.428 74 H LYS 12 H LYS 12 -4.070 1.758 -3.616 75 HA LYS 12 HA LYS 12 -3.079 1.869 -6.274 76 1HB LYS 12 2HB LYS 12 -5.451 2.256 -5.723 77 2HB LYS 12 1HB LYS 12 -5.010 3.737 -4.888 78 1HG LYS 12 2HG LYS 12 -4.175 4.667 -7.003 79 2HG LYS 12 1HG LYS 12 -4.663 3.191 -7.831 80 1HD LYS 12 2HD LYS 12 -6.420 4.658 -8.252 81 2HD LYS 12 1HD LYS 12 -7.008 3.693 -6.899 82 1HE LYS 12 2HE LYS 12 -5.717 6.406 -6.624 83 2HE LYS 12 1HE LYS 12 -7.456 6.139 -6.691 84 1HZ LYS 12 1HZ LYS 12 -6.649 6.369 -4.417 85 2HZ LYS 12 2HZ LYS 12 -5.623 5.049 -4.623 86 3HZ LYS 12 3HZ LYS 12 -7.300 4.829 -4.673 87 H GLU 13 H GLU 13 -2.825 4.050 -3.503 88 HA GLU 13 HA GLU 13 -1.552 6.148 -4.902 89 1HB GLU 13 2HB GLU 13 -2.019 5.460 -2.048 90 2HB GLU 13 1HB GLU 13 -0.766 6.643 -2.398 91 1HG GLU 13 2HG GLU 13 -3.000 7.621 -1.902 92 2HG GLU 13 1HG GLU 13 -2.321 8.103 -3.452 93 H ILE 14 H ILE 14 -0.318 3.261 -3.329 94 HA ILE 14 HA ILE 14 2.436 3.977 -3.621 95 HB ILE 14 HB ILE 14 1.067 1.320 -3.207 96 1HG1 ILE 14 2HG1 ILE 14 2.870 2.987 -1.440 97 2HG1 ILE 14 1HG1 ILE 14 1.121 2.858 -1.288 98 1HG2 ILE 14 1HG2 ILE 14 4.034 1.829 -3.390 99 2HG2 ILE 14 2HG2 ILE 14 3.066 0.912 -4.541 100 3HG2 ILE 14 3HG2 ILE 14 3.280 0.314 -2.896 101 1HD1 ILE 14 1HD1 ILE 14 1.328 0.497 -0.757 102 2HD1 ILE 14 2HD1 ILE 14 2.278 1.482 0.355 103 3HD1 ILE 14 3HD1 ILE 14 3.079 0.598 -0.943 104 H PHE 15 H PHE 15 0.165 2.020 -5.503 105 HA PHE 15 HA PHE 15 1.934 1.158 -7.489 106 1HB PHE 15 2HB PHE 15 -0.329 0.233 -7.084 107 2HB PHE 15 1HB PHE 15 -1.030 1.705 -7.741 108 HD1 PHE 15 HD1 PHE 15 1.208 -1.124 -8.632 109 HD2 PHE 15 HD2 PHE 15 -1.495 1.860 -10.007 110 HE1 PHE 15 HE1 PHE 15 1.256 -2.123 -10.877 111 HE2 PHE 15 HE2 PHE 15 -1.450 0.866 -12.260 112 HZ PHE 15 HZ PHE 15 -0.072 -1.131 -12.696 113 H GLU 16 H GLU 16 -0.216 3.985 -7.422 114 HA GLU 16 HA GLU 16 0.660 4.945 -9.984 115 1HB GLU 16 2HB GLU 16 -0.986 6.210 -7.791 116 2HB GLU 16 1HB GLU 16 -0.677 6.972 -9.344 117 1HG GLU 16 2HG GLU 16 -1.975 4.279 -9.112 118 2HG GLU 16 1HG GLU 16 -2.893 5.782 -9.057 119 H GLY 17 H GLY 17 1.514 5.551 -6.640 120 1HA GLY 17 2HA GLY 17 2.934 7.993 -7.253 121 2HA GLY 17 1HA GLY 17 2.821 7.214 -5.684 122 H ASN 18 H ASN 18 3.707 4.637 -6.979 123 HA ASN 18 HA ASN 18 5.582 3.473 -7.499 124 1HB ASN 18 2HB ASN 18 5.859 5.232 -9.284 125 2HB ASN 18 1HB ASN 18 6.905 6.110 -8.179 126 1HD2 ASN 18 1HD2 ASN 18 8.992 5.471 -7.919 127 2HD2 ASN 18 2HD2 ASN 18 9.711 4.148 -8.779 128 H THR 19 H THR 19 5.232 5.480 -5.008 129 HA THR 19 HA THR 19 6.173 5.868 -3.007 130 HB THR 19 HB THR 19 7.723 3.978 -2.131 131 HG1 THR 19 HG1 THR 19 7.672 3.198 -4.582 132 1HG2 THR 19 1HG2 THR 19 4.850 3.436 -2.878 133 2HG2 THR 19 2HG2 THR 19 5.408 4.302 -1.446 134 3HG2 THR 19 3HG2 THR 19 5.771 2.586 -1.637 135 HA PRO 20 HA PRO 20 7.509 5.397 -1.152 136 1HB PRO 20 2HB PRO 20 9.042 6.709 0.627 137 2HB PRO 20 1HB PRO 20 9.566 5.208 -0.141 138 1HG PRO 20 2HG PRO 20 10.480 7.975 -0.598 139 2HG PRO 20 1HG PRO 20 11.326 6.448 -0.883 140 1HD PRO 20 2HD PRO 20 9.966 8.089 -2.788 141 2HD PRO 20 1HD PRO 20 10.775 6.535 -3.066 142 H LEU 21 H LEU 21 5.574 6.430 -0.825 143 HA LEU 21 HA LEU 21 5.512 9.340 -0.834 144 1HB LEU 21 2HB LEU 21 3.150 9.211 -0.965 145 2HB LEU 21 1HB LEU 21 3.780 8.008 -2.067 146 HG LEU 21 HG LEU 21 2.789 7.327 0.700 147 1HD1 LEU 21 1HD1 LEU 21 1.293 7.224 -1.916 148 2HD1 LEU 21 2HD1 LEU 21 0.977 8.340 -0.587 149 3HD1 LEU 21 3HD1 LEU 21 0.716 6.610 -0.367 150 1HD2 LEU 21 1HD2 LEU 21 4.270 5.669 -0.311 151 2HD2 LEU 21 2HD2 LEU 21 3.264 5.643 -1.758 152 3HD2 LEU 21 3HD2 LEU 21 2.614 5.069 -0.224 153 H SER 22 H SER 22 5.183 10.585 0.915 154 HA SER 22 HA SER 22 5.636 9.318 3.466 155 1HB SER 22 2HB SER 22 5.280 12.239 2.753 156 2HB SER 22 1HB SER 22 5.774 11.635 4.334 157 HG SER 22 HG SER 22 7.183 11.154 1.907 158 H GLU 23 H GLU 23 4.378 10.087 5.380 159 HA GLU 23 HA GLU 23 1.744 9.130 5.082 160 1HB GLU 23 2HB GLU 23 1.726 10.232 7.573 161 2HB GLU 23 1HB GLU 23 2.319 8.623 7.190 162 1HG GLU 23 2HG GLU 23 3.903 9.727 8.596 163 2HG GLU 23 1HG GLU 23 4.599 9.552 6.989 164 H ASN 24 H ASN 24 2.955 12.408 5.839 165 HA ASN 24 HA ASN 24 0.328 13.502 6.027 166 1HB ASN 24 2HB ASN 24 2.553 14.415 7.002 167 2HB ASN 24 1HB ASN 24 2.767 15.151 5.417 168 1HD2 ASN 24 1HD2 ASN 24 0.928 15.133 8.347 169 2HD2 ASN 24 2HD2 ASN 24 0.084 16.623 8.078 170 H ASP 25 H ASP 25 2.247 12.603 3.419 171 HA ASP 25 HA ASP 25 1.201 14.546 1.547 172 1HB ASP 25 2HB ASP 25 3.504 13.724 1.310 173 2HB ASP 25 1HB ASP 25 2.902 12.084 1.087 174 H ILE 26 H ILE 26 0.766 11.104 2.302 175 HA ILE 26 HA ILE 26 -1.223 10.745 0.260 176 HB ILE 26 HB ILE 26 0.057 8.811 0.940 177 1HG1 ILE 26 2HG1 ILE 26 -2.826 8.519 1.827 178 2HG1 ILE 26 1HG1 ILE 26 -2.260 8.444 0.163 179 1HG2 ILE 26 1HG2 ILE 26 -1.155 9.192 3.668 180 2HG2 ILE 26 2HG2 ILE 26 0.544 9.370 3.230 181 3HG2 ILE 26 3HG2 ILE 26 -0.224 7.784 3.158 182 1HD1 ILE 26 1HD1 ILE 26 -0.941 6.461 0.711 183 2HD1 ILE 26 2HD1 ILE 26 -2.657 6.227 1.039 184 3HD1 ILE 26 3HD1 ILE 26 -1.536 6.533 2.367 185 H GLY 27 H GLY 27 -1.252 11.452 3.723 186 1HA GLY 27 2HA GLY 27 -3.107 13.113 4.162 187 2HA GLY 27 1HA GLY 27 -4.167 11.884 3.491 188 H VAL 28 H VAL 28 -2.649 9.716 4.785 189 HA VAL 28 HA VAL 28 -3.973 9.910 7.375 190 HB VAL 28 HB VAL 28 -3.506 7.495 7.571 191 1HG1 VAL 28 1HG1 VAL 28 -4.733 8.260 4.924 192 2HG1 VAL 28 2HG1 VAL 28 -5.562 8.251 6.481 193 3HG1 VAL 28 3HG1 VAL 28 -4.982 6.738 5.783 194 1HG2 VAL 28 1HG2 VAL 28 -2.227 7.816 4.858 195 2HG2 VAL 28 2HG2 VAL 28 -2.565 6.277 5.651 196 3HG2 VAL 28 3HG2 VAL 28 -1.402 7.401 6.360 197 H THR 29 H THR 29 -2.868 9.438 9.370 198 HA THR 29 HA THR 29 -0.251 10.532 9.504 199 HB THR 29 HB THR 29 -1.831 10.639 11.406 200 HG1 THR 29 HG1 THR 29 -0.249 10.185 13.016 201 1HG2 THR 29 1HG2 THR 29 -2.105 8.692 12.870 202 2HG2 THR 29 2HG2 THR 29 -1.198 7.712 11.717 203 3HG2 THR 29 3HG2 THR 29 -2.765 8.387 11.262 204 H GLU 30 H GLU 30 1.417 9.268 10.845 205 HA GLU 30 HA GLU 30 2.435 7.307 9.081 206 1HB GLU 30 2HB GLU 30 3.911 8.733 10.417 207 2HB GLU 30 1HB GLU 30 3.324 7.977 11.894 208 1HG GLU 30 2HG GLU 30 4.181 5.810 11.063 209 2HG GLU 30 1HG GLU 30 4.878 6.658 9.685 210 H ASP 31 H ASP 31 0.864 7.117 12.221 211 HA ASP 31 HA ASP 31 1.304 4.394 12.721 212 1HB ASP 31 2HB ASP 31 -1.021 6.107 13.621 213 2HB ASP 31 1HB ASP 31 -0.528 4.574 14.336 214 H GLN 32 H GLN 32 -1.303 6.050 11.009 215 HA GLN 32 HA GLN 32 -2.852 3.675 10.621 216 1HB GLN 32 2HB GLN 32 -2.977 6.386 9.283 217 2HB GLN 32 1HB GLN 32 -4.140 5.095 9.012 218 1HG GLN 32 2HG GLN 32 -3.581 6.428 11.653 219 2HG GLN 32 1HG GLN 32 -4.969 6.734 10.609 220 1HE2 GLN 32 1HE2 GLN 32 -4.748 5.687 13.382 221 2HE2 GLN 32 2HE2 GLN 32 -5.619 4.186 13.364 222 H PHE 33 H PHE 33 -0.554 5.519 8.690 223 HA PHE 33 HA PHE 33 -0.749 4.050 6.305 224 1HB PHE 33 2HB PHE 33 0.426 6.245 6.622 225 2HB PHE 33 1HB PHE 33 1.714 5.384 7.455 226 HD1 PHE 33 HD1 PHE 33 3.526 4.595 6.251 227 HD2 PHE 33 HD2 PHE 33 -0.104 5.474 4.209 228 HE1 PHE 33 HE1 PHE 33 4.655 4.220 4.096 229 HE2 PHE 33 HE2 PHE 33 1.018 5.100 2.052 230 HZ PHE 33 HZ PHE 33 3.397 4.473 1.990 231 H ASP 34 H ASP 34 1.408 3.719 9.089 232 HA ASP 34 HA ASP 34 2.813 1.446 8.231 233 1HB ASP 34 2HB ASP 34 3.676 2.794 10.017 234 2HB ASP 34 1HB ASP 34 2.229 2.543 10.985 235 H ASP 35 H ASP 35 -0.082 1.761 10.253 236 HA ASP 35 HA ASP 35 -0.380 -0.895 11.008 237 1HB ASP 35 2HB ASP 35 -1.664 0.973 11.977 238 2HB ASP 35 1HB ASP 35 -2.569 1.128 10.477 239 H ALA 36 H ALA 36 -1.800 0.762 8.194 240 HA ALA 36 HA ALA 36 -3.165 -1.536 7.251 241 1HB ALA 36 1HB ALA 36 -3.562 -0.230 5.228 242 2HB ALA 36 2HB ALA 36 -2.387 0.967 5.766 243 3HB ALA 36 3HB ALA 36 -3.874 0.721 6.681 244 H VAL 37 H VAL 37 -0.049 -0.055 6.342 245 HA VAL 37 HA VAL 37 0.445 -1.712 4.121 246 HB VAL 37 HB VAL 37 2.387 -0.238 5.906 247 1HG1 VAL 37 1HG1 VAL 37 2.925 -1.556 3.239 248 2HG1 VAL 37 2HG1 VAL 37 3.511 -2.135 4.800 249 3HG1 VAL 37 3HG1 VAL 37 4.065 -0.583 4.171 250 1HG2 VAL 37 1HG2 VAL 37 1.328 0.361 3.143 251 2HG2 VAL 37 2HG2 VAL 37 2.484 1.342 4.045 252 3HG2 VAL 37 3HG2 VAL 37 0.830 1.163 4.633 253 H ASN 38 H ASN 38 1.440 -2.074 7.530 254 HA ASN 38 HA ASN 38 2.926 -4.451 7.110 255 1HB ASN 38 2HB ASN 38 1.695 -3.219 9.563 256 2HB ASN 38 1HB ASN 38 2.469 -4.799 9.634 257 1HD2 ASN 38 1HD2 ASN 38 2.933 -1.395 9.284 258 2HD2 ASN 38 2HD2 ASN 38 4.657 -1.408 9.434 259 H PHE 39 H PHE 39 -0.457 -3.841 7.787 260 HA PHE 39 HA PHE 39 -1.163 -6.537 8.331 261 1HB PHE 39 2HB PHE 39 -2.512 -4.515 8.965 262 2HB PHE 39 1HB PHE 39 -2.950 -4.344 7.268 263 HD1 PHE 39 HD1 PHE 39 -4.704 -5.568 6.348 264 HD2 PHE 39 HD2 PHE 39 -3.174 -6.619 10.174 265 HE1 PHE 39 HE1 PHE 39 -6.594 -7.100 6.678 266 HE2 PHE 39 HE2 PHE 39 -5.058 -8.166 10.510 267 HZ PHE 39 HZ PHE 39 -6.771 -8.409 8.760 268 H LEU 40 H LEU 40 -1.251 -4.530 5.417 269 HA LEU 40 HA LEU 40 -2.410 -6.441 3.711 270 1HB LEU 40 2HB LEU 40 -0.602 -4.099 3.149 271 2HB LEU 40 1HB LEU 40 -1.339 -5.069 1.885 272 HG LEU 40 HG LEU 40 -2.859 -3.509 3.975 273 1HD1 LEU 40 1HD1 LEU 40 -1.703 -2.041 2.405 274 2HD1 LEU 40 2HD1 LEU 40 -3.446 -2.020 2.128 275 3HD1 LEU 40 3HD1 LEU 40 -2.393 -2.938 1.050 276 1HD2 LEU 40 1HD2 LEU 40 -4.824 -4.115 2.780 277 2HD2 LEU 40 2HD2 LEU 40 -3.923 -5.600 3.072 278 3HD2 LEU 40 3HD2 LEU 40 -3.883 -4.844 1.480 279 H LYS 41 H LYS 41 0.917 -5.866 4.669 280 HA LYS 41 HA LYS 41 2.098 -7.675 2.833 281 1HB LYS 41 2HB LYS 41 3.178 -5.834 4.334 282 2HB LYS 41 1HB LYS 41 3.235 -7.092 5.558 283 1HG LYS 41 2HG LYS 41 4.433 -7.464 2.831 284 2HG LYS 41 1HG LYS 41 5.322 -6.723 4.161 285 1HD LYS 41 2HD LYS 41 4.016 -9.260 4.835 286 2HD LYS 41 1HD LYS 41 5.263 -9.392 3.597 287 1HE LYS 41 2HE LYS 41 6.178 -9.748 5.834 288 2HE LYS 41 1HE LYS 41 6.871 -8.322 5.067 289 1HZ LYS 41 1HZ LYS 41 5.483 -6.917 6.397 290 2HZ LYS 41 2HZ LYS 41 6.291 -7.994 7.425 291 3HZ LYS 41 3HZ LYS 41 4.656 -8.247 7.049 292 H ARG 42 H ARG 42 0.629 -8.003 5.992 293 HA ARG 42 HA ARG 42 1.564 -10.609 6.568 294 1HB ARG 42 2HB ARG 42 0.713 -9.077 8.293 295 2HB ARG 42 1HB ARG 42 -0.900 -9.195 7.605 296 1HG ARG 42 2HG ARG 42 -1.007 -11.543 8.165 297 2HG ARG 42 1HG ARG 42 0.654 -11.501 8.762 298 1HD ARG 42 2HD ARG 42 -0.013 -9.869 10.467 299 2HD ARG 42 1HD ARG 42 -1.675 -9.955 9.891 300 HE ARG 42 HE ARG 42 -1.746 -12.248 10.675 301 1HH1 ARG 42 1HH1 ARG 42 1.041 -10.395 11.698 302 2HH1 ARG 42 2HH1 ARG 42 1.271 -11.307 13.165 303 1HH2 ARG 42 1HH2 ARG 42 -1.441 -13.459 12.583 304 2HH2 ARG 42 2HH2 ARG 42 -0.153 -13.040 13.672 305 H GLU 43 H GLU 43 -1.446 -9.427 5.066 306 HA GLU 43 HA GLU 43 -2.400 -12.133 4.728 307 1HB GLU 43 2HB GLU 43 -3.511 -9.520 3.693 308 2HB GLU 43 1HB GLU 43 -4.291 -11.085 3.501 309 1HG GLU 43 2HG GLU 43 -4.025 -11.152 6.123 310 2HG GLU 43 1HG GLU 43 -3.981 -9.400 5.925 311 H GLY 44 H GLY 44 -0.585 -9.848 2.863 312 1HA GLY 44 2HA GLY 44 0.876 -10.673 1.167 313 2HA GLY 44 1HA GLY 44 -0.284 -11.950 0.833 314 H TYR 45 H TYR 45 -0.972 -8.499 1.131 315 HA TYR 45 HA TYR 45 -2.043 -8.499 -1.577 316 1HB TYR 45 2HB TYR 45 -2.082 -6.474 0.658 317 2HB TYR 45 1HB TYR 45 -2.646 -6.089 -0.965 318 HD1 TYR 45 HD1 TYR 45 -3.334 -8.017 2.084 319 HD2 TYR 45 HD2 TYR 45 -4.709 -7.021 -1.821 320 HE1 TYR 45 HE1 TYR 45 -5.546 -8.941 2.629 321 HE2 TYR 45 HE2 TYR 45 -6.923 -7.941 -1.283 322 HH TYR 45 HH TYR 45 -7.952 -9.494 0.244 323 H ILE 46 H ILE 46 0.657 -7.275 0.238 324 HA ILE 46 HA ILE 46 1.976 -6.593 -2.268 325 HB ILE 46 HB ILE 46 3.024 -4.574 -0.980 326 1HG1 ILE 46 2HG1 ILE 46 1.129 -3.402 0.323 327 2HG1 ILE 46 1HG1 ILE 46 0.427 -5.007 0.481 328 1HG2 ILE 46 1HG2 ILE 46 0.278 -4.464 -2.209 329 2HG2 ILE 46 2HG2 ILE 46 1.821 -4.386 -3.062 330 3HG2 ILE 46 3HG2 ILE 46 1.350 -3.084 -1.971 331 1HD1 ILE 46 1HD1 ILE 46 3.119 -4.124 1.489 332 2HD1 ILE 46 2HD1 ILE 46 2.482 -5.765 1.593 333 3HD1 ILE 46 3HD1 ILE 46 1.678 -4.452 2.455 334 H ILE 47 H ILE 47 4.259 -6.634 -2.158 335 HA ILE 47 HA ILE 47 5.403 -7.799 0.284 336 HB ILE 47 HB ILE 47 6.773 -9.342 -1.136 337 1HG1 ILE 47 2HG1 ILE 47 4.779 -8.594 -3.293 338 2HG1 ILE 47 1HG1 ILE 47 6.476 -8.127 -3.273 339 1HG2 ILE 47 1HG2 ILE 47 4.825 -10.153 0.098 340 2HG2 ILE 47 2HG2 ILE 47 5.028 -11.024 -1.423 341 3HG2 ILE 47 3HG2 ILE 47 3.789 -9.776 -1.280 342 1HD1 ILE 47 1HD1 ILE 47 5.443 -10.950 -3.408 343 2HD1 ILE 47 2HD1 ILE 47 7.135 -10.457 -3.448 344 3HD1 ILE 47 3HD1 ILE 47 6.054 -10.011 -4.768 345 H GLY 48 H GLY 48 7.925 -7.938 -0.107 346 1HA GLY 48 2HA GLY 48 9.909 -6.902 -0.676 347 2HA GLY 48 1HA GLY 48 9.039 -6.020 -1.920 348 H VAL 49 H VAL 49 7.732 -5.787 1.237 349 HA VAL 49 HA VAL 49 8.282 -2.978 1.326 350 HB VAL 49 HB VAL 49 7.082 -4.768 3.451 351 1HG1 VAL 49 1HG1 VAL 49 7.114 -1.756 3.232 352 2HG1 VAL 49 2HG1 VAL 49 8.026 -2.717 4.396 353 3HG1 VAL 49 3HG1 VAL 49 6.264 -2.694 4.462 354 1HG2 VAL 49 1HG2 VAL 49 5.757 -4.711 1.401 355 2HG2 VAL 49 2HG2 VAL 49 5.774 -2.946 1.431 356 3HG2 VAL 49 3HG2 VAL 49 4.941 -3.843 2.702 357 H HIS 50 H HIS 50 10.156 -2.184 1.878 358 HA HIS 50 HA HIS 50 12.097 -3.784 3.270 359 1HB HIS 50 2HB HIS 50 12.167 -1.069 1.981 360 2HB HIS 50 1HB HIS 50 13.501 -1.629 2.982 361 HD1 HIS 50 HD1 HIS 50 11.510 -3.336 0.182 362 HD2 HIS 50 HD2 HIS 50 15.426 -2.535 1.341 363 HE1 HIS 50 HE1 HIS 50 12.961 -4.346 -1.595 364 HE2 HIS 50 HE2 HIS 50 15.317 -4.030 -0.771 365 H TYR 51 H TYR 51 12.046 -3.966 5.370 366 HA TYR 51 HA TYR 51 11.232 -1.687 7.037 367 1HB TYR 51 2HB TYR 51 11.734 -4.567 7.841 368 2HB TYR 51 1HB TYR 51 11.065 -3.303 8.863 369 HD1 TYR 51 HD1 TYR 51 8.771 -2.409 8.356 370 HD2 TYR 51 HD2 TYR 51 10.362 -5.833 6.393 371 HE1 TYR 51 HE1 TYR 51 6.503 -3.075 7.687 372 HE2 TYR 51 HE2 TYR 51 8.096 -6.503 5.717 373 HH TYR 51 HH TYR 51 5.412 -4.427 5.983 374 H SER 52 H SER 52 12.657 -0.788 8.523 375 HA SER 52 HA SER 52 15.339 -1.980 8.637 376 1HB SER 52 2HB SER 52 14.691 0.966 8.428 377 2HB SER 52 1HB SER 52 16.298 0.306 8.732 378 HG SER 52 HG SER 52 16.490 0.078 6.665 379 H ASP 53 H ASP 53 14.946 -2.948 10.565 380 HA ASP 53 HA ASP 53 15.107 -3.185 12.799 381 1HB ASP 53 2HB ASP 53 15.811 -0.246 12.733 382 2HB ASP 53 1HB ASP 53 15.948 -1.274 14.156 383 H ASP 54 H ASP 54 13.800 0.115 12.696 384 HA ASP 54 HA ASP 54 11.777 -0.770 14.616 385 1HB ASP 54 2HB ASP 54 13.132 1.059 15.391 386 2HB ASP 54 1HB ASP 54 12.830 1.972 13.917 387 H ARG 55 H ARG 55 12.074 0.936 11.522 388 HA ARG 55 HA ARG 55 9.151 0.791 11.222 389 1HB ARG 55 2HB ARG 55 10.383 3.081 12.022 390 2HB ARG 55 1HB ARG 55 10.449 3.276 10.279 391 1HG ARG 55 2HG ARG 55 8.501 4.376 10.997 392 2HG ARG 55 1HG ARG 55 7.963 2.867 10.256 393 1HD ARG 55 2HD ARG 55 7.399 1.918 12.290 394 2HD ARG 55 1HD ARG 55 8.459 2.992 13.202 395 HE ARG 55 HE ARG 55 6.766 4.783 12.450 396 1HH1 ARG 55 1HH1 ARG 55 5.957 1.463 13.248 397 2HH1 ARG 55 2HH1 ARG 55 4.344 1.860 13.764 398 1HH2 ARG 55 1HH2 ARG 55 4.677 5.303 13.165 399 2HH2 ARG 55 2HH2 ARG 55 3.619 4.040 13.733 400 HA PRO 56 HA PRO 56 10.249 -0.158 6.946 401 1HB PRO 56 2HB PRO 56 7.870 0.509 5.788 402 2HB PRO 56 1HB PRO 56 8.136 -1.017 6.640 403 1HG PRO 56 2HG PRO 56 6.796 1.481 7.597 404 2HG PRO 56 1HG PRO 56 6.337 -0.211 7.858 405 1HD PRO 56 2HD PRO 56 7.610 1.271 9.740 406 2HD PRO 56 1HD PRO 56 7.830 -0.483 9.584 407 H HIS 57 H HIS 57 11.007 1.060 5.215 408 HA HIS 57 HA HIS 57 10.759 3.963 5.582 409 1HB HIS 57 2HB HIS 57 12.895 2.272 4.330 410 2HB HIS 57 1HB HIS 57 12.790 3.994 3.994 411 HD1 HIS 57 HD1 HIS 57 12.337 5.229 6.670 412 HD2 HIS 57 HD2 HIS 57 14.869 1.979 6.116 413 HE1 HIS 57 HE1 HIS 57 13.943 5.284 8.604 414 HE2 HIS 57 HE2 HIS 57 15.577 3.416 8.145 415 H LEU 58 H LEU 58 10.589 1.469 3.105 416 HA LEU 58 HA LEU 58 9.760 1.424 0.992 417 1HB LEU 58 2HB LEU 58 8.369 3.952 1.852 418 2HB LEU 58 1HB LEU 58 8.124 3.187 0.292 419 HG LEU 58 HG LEU 58 7.488 1.959 2.979 420 1HD1 LEU 58 1HD1 LEU 58 5.165 2.165 2.250 421 2HD1 LEU 58 2HD1 LEU 58 5.698 2.980 0.780 422 3HD1 LEU 58 3HD1 LEU 58 5.952 3.740 2.352 423 1HD2 LEU 58 1HD2 LEU 58 6.470 0.153 1.675 424 2HD2 LEU 58 2HD2 LEU 58 8.205 0.268 1.385 425 3HD2 LEU 58 3HD2 LEU 58 7.070 0.891 0.190 426 H TYR 59 H TYR 59 10.324 2.104 -1.056 427 HA TYR 59 HA TYR 59 12.001 4.483 -1.276 428 1HB TYR 59 2HB TYR 59 12.906 1.683 -1.997 429 2HB TYR 59 1HB TYR 59 13.746 3.150 -2.486 430 HD1 TYR 59 HD1 TYR 59 13.307 0.715 0.111 431 HD2 TYR 59 HD2 TYR 59 14.653 4.672 -0.673 432 HE1 TYR 59 HE1 TYR 59 14.544 0.713 2.239 433 HE2 TYR 59 HE2 TYR 59 15.894 4.678 1.444 434 HH TYR 59 HH TYR 59 16.522 1.909 3.225 435 H LYS 60 H LYS 60 12.710 4.695 -3.682 436 HA LYS 60 HA LYS 60 10.292 4.676 -5.235 437 1HB LYS 60 2HB LYS 60 13.099 5.359 -6.138 438 2HB LYS 60 1HB LYS 60 11.596 5.803 -6.941 439 1HG LYS 60 2HG LYS 60 10.988 7.120 -4.912 440 2HG LYS 60 1HG LYS 60 12.597 6.778 -4.276 441 1HD LYS 60 2HD LYS 60 13.570 7.872 -6.274 442 2HD LYS 60 1HD LYS 60 11.937 8.297 -6.799 443 1HE LYS 60 2HE LYS 60 11.621 9.507 -4.657 444 2HE LYS 60 1HE LYS 60 13.302 9.168 -4.257 445 1HZ LYS 60 1HZ LYS 60 12.326 10.775 -6.554 446 2HZ LYS 60 2HZ LYS 60 13.954 10.394 -6.264 447 3HZ LYS 60 3HZ LYS 60 13.103 11.365 -5.166 448 H LEU 61 H LEU 61 12.366 2.335 -4.492 449 HA LEU 61 HA LEU 61 11.431 0.662 -6.679 450 1HB LEU 61 2HB LEU 61 13.995 1.640 -6.751 451 2HB LEU 61 1HB LEU 61 14.219 0.132 -5.884 452 HG LEU 61 HG LEU 61 12.996 0.427 -8.627 453 1HD1 LEU 61 1HD1 LEU 61 15.658 -0.654 -7.731 454 2HD1 LEU 61 2HD1 LEU 61 15.377 0.826 -8.650 455 3HD1 LEU 61 3HD1 LEU 61 15.022 -0.743 -9.373 456 1HD2 LEU 61 1HD2 LEU 61 12.001 -1.437 -7.432 457 2HD2 LEU 61 2HD2 LEU 61 13.602 -2.048 -7.021 458 3HD2 LEU 61 3HD2 LEU 61 13.076 -2.018 -8.704 459 H GLY 62 H GLY 62 10.429 0.870 -4.158 460 1HA GLY 62 2HA GLY 62 11.808 -1.027 -2.418 461 2HA GLY 62 1HA GLY 62 10.498 0.041 -1.955 462 HA PRO 63 HA PRO 63 7.898 -3.416 -2.026 463 1HB PRO 63 2HB PRO 63 5.476 -2.302 -2.089 464 2HB PRO 63 1HB PRO 63 6.595 -1.992 -0.754 465 1HG PRO 63 2HG PRO 63 5.927 -0.271 -3.105 466 2HG PRO 63 1HG PRO 63 6.184 0.193 -1.414 467 1HD PRO 63 2HD PRO 63 8.080 0.396 -3.431 468 2HD PRO 63 1HD PRO 63 8.437 0.358 -1.694 469 H GLU 64 H GLU 64 6.442 -4.751 -3.110 470 HA GLU 64 HA GLU 64 5.815 -4.060 -5.903 471 1HB GLU 64 2HB GLU 64 6.757 -6.756 -4.885 472 2HB GLU 64 1HB GLU 64 6.235 -6.412 -6.527 473 1HG GLU 64 2HG GLU 64 8.099 -4.865 -6.801 474 2HG GLU 64 1HG GLU 64 8.622 -5.204 -5.152 475 H LEU 65 H LEU 65 3.767 -4.670 -6.578 476 HA LEU 65 HA LEU 65 1.960 -5.511 -4.453 477 1HB LEU 65 2HB LEU 65 1.467 -4.410 -7.216 478 2HB LEU 65 1HB LEU 65 0.179 -5.014 -6.196 479 HG LEU 65 HG LEU 65 0.967 -3.282 -4.475 480 1HD1 LEU 65 1HD1 LEU 65 3.113 -2.749 -5.500 481 2HD1 LEU 65 2HD1 LEU 65 2.087 -1.321 -5.382 482 3HD1 LEU 65 3HD1 LEU 65 2.284 -2.137 -6.932 483 1HD2 LEU 65 1HD2 LEU 65 -1.120 -3.096 -5.669 484 2HD2 LEU 65 2HD2 LEU 65 -0.290 -2.436 -7.078 485 3HD2 LEU 65 3HD2 LEU 65 -0.347 -1.514 -5.575 486 H THR 66 H THR 66 0.806 -7.383 -4.445 487 HA THR 66 HA THR 66 1.579 -9.422 -6.371 488 HB THR 66 HB THR 66 0.331 -10.976 -4.951 489 HG1 THR 66 HG1 THR 66 -0.542 -10.025 -2.924 490 1HG2 THR 66 1HG2 THR 66 2.046 -9.120 -3.293 491 2HG2 THR 66 2HG2 THR 66 2.643 -10.425 -4.319 492 3HG2 THR 66 3HG2 THR 66 1.652 -10.797 -2.908 493 H GLU 67 H GLU 67 -0.303 -10.862 -7.187 494 HA GLU 67 HA GLU 67 -2.060 -9.250 -8.705 495 1HB GLU 67 2HB GLU 67 -2.212 -12.213 -8.130 496 2HB GLU 67 1HB GLU 67 -3.180 -11.372 -9.332 497 1HG GLU 67 2HG GLU 67 -1.489 -12.288 -10.588 498 2HG GLU 67 1HG GLU 67 -0.912 -10.648 -10.315 499 H LYS 68 H LYS 68 -2.281 -10.667 -5.568 500 HA LYS 68 HA LYS 68 -5.053 -10.650 -5.169 501 1HB LYS 68 2HB LYS 68 -2.776 -11.105 -3.606 502 2HB LYS 68 1HB LYS 68 -3.577 -9.748 -2.831 503 1HG LYS 68 2HG LYS 68 -4.759 -12.456 -3.401 504 2HG LYS 68 1HG LYS 68 -4.321 -11.794 -1.826 505 1HD LYS 68 2HD LYS 68 -6.010 -10.001 -2.183 506 2HD LYS 68 1HD LYS 68 -6.501 -10.821 -3.668 507 1HE LYS 68 2HE LYS 68 -6.612 -11.946 -0.871 508 2HE LYS 68 1HE LYS 68 -7.987 -11.410 -1.835 509 1HZ LYS 68 1HZ LYS 68 -7.852 -13.768 -1.960 510 2HZ LYS 68 2HZ LYS 68 -6.209 -13.729 -2.374 511 3HZ LYS 68 3HZ LYS 68 -7.372 -13.166 -3.471 512 H GLY 69 H GLY 69 -2.616 -8.135 -4.556 513 1HA GLY 69 2HA GLY 69 -4.525 -6.137 -3.828 514 2HA GLY 69 1HA GLY 69 -2.828 -5.867 -4.200 515 H GLU 70 H GLU 70 -2.761 -6.894 -6.798 516 HA GLU 70 HA GLU 70 -3.556 -4.643 -8.276 517 1HB GLU 70 2HB GLU 70 -1.717 -6.358 -8.780 518 2HB GLU 70 1HB GLU 70 -2.991 -7.362 -9.452 519 1HG GLU 70 2HG GLU 70 -2.501 -4.562 -10.405 520 2HG GLU 70 1HG GLU 70 -1.631 -5.940 -11.062 521 H ASN 71 H ASN 71 -4.998 -7.881 -7.987 522 HA ASN 71 HA ASN 71 -7.127 -7.296 -9.804 523 1HB ASN 71 2HB ASN 71 -6.602 -9.541 -7.882 524 2HB ASN 71 1HB ASN 71 -8.179 -9.379 -8.643 525 1HD2 ASN 71 1HD2 ASN 71 -4.985 -8.718 -10.066 526 2HD2 ASN 71 2HD2 ASN 71 -5.108 -9.929 -11.288 527 H TYR 72 H TYR 72 -6.573 -6.654 -6.469 528 HA TYR 72 HA TYR 72 -9.327 -6.322 -5.745 529 1HB TYR 72 2HB TYR 72 -7.499 -6.792 -4.112 530 2HB TYR 72 1HB TYR 72 -6.854 -5.185 -4.420 531 HD1 TYR 72 HD1 TYR 72 -10.061 -6.814 -3.414 532 HD2 TYR 72 HD2 TYR 72 -7.440 -3.495 -2.959 533 HE1 TYR 72 HE1 TYR 72 -11.520 -5.912 -1.652 534 HE2 TYR 72 HE2 TYR 72 -8.890 -2.582 -1.197 535 HH TYR 72 HH TYR 72 -11.408 -4.393 0.244 536 H LEU 73 H LEU 73 -6.868 -4.356 -7.203 537 HA LEU 73 HA LEU 73 -8.051 -1.817 -6.692 538 1HB LEU 73 2HB LEU 73 -6.115 -2.637 -8.861 539 2HB LEU 73 1HB LEU 73 -6.505 -0.986 -8.421 540 HG LEU 73 HG LEU 73 -5.166 -2.978 -6.587 541 1HD1 LEU 73 1HD1 LEU 73 -3.137 -1.688 -6.969 542 2HD1 LEU 73 2HD1 LEU 73 -3.988 -0.675 -8.135 543 3HD1 LEU 73 3HD1 LEU 73 -3.733 -2.388 -8.475 544 1HD2 LEU 73 1HD2 LEU 73 -6.418 -1.299 -5.366 545 2HD2 LEU 73 2HD2 LEU 73 -5.669 -0.015 -6.316 546 3HD2 LEU 73 3HD2 LEU 73 -4.689 -0.987 -5.218 547 H LYS 74 H LYS 74 -8.735 -4.303 -8.964 548 HA LYS 74 HA LYS 74 -9.439 -2.965 -11.267 549 1HB LYS 74 2HB LYS 74 -10.955 -5.326 -10.159 550 2HB LYS 74 1HB LYS 74 -10.823 -4.849 -11.842 551 1HG LYS 74 2HG LYS 74 -8.516 -5.778 -10.152 552 2HG LYS 74 1HG LYS 74 -9.458 -6.816 -11.222 553 1HD LYS 74 2HD LYS 74 -8.815 -5.243 -13.096 554 2HD LYS 74 1HD LYS 74 -7.666 -4.514 -11.965 555 1HE LYS 74 2HE LYS 74 -6.688 -6.772 -11.605 556 2HE LYS 74 1HE LYS 74 -7.751 -7.390 -12.867 557 1HZ LYS 74 1HZ LYS 74 -5.536 -5.443 -13.145 558 2HZ LYS 74 2HZ LYS 74 -6.689 -5.705 -14.370 559 3HZ LYS 74 3HZ LYS 74 -5.683 -6.975 -13.864 560 H GLU 75 H GLU 75 -11.795 -4.006 -8.792 561 HA GLU 75 HA GLU 75 -13.887 -2.519 -10.069 562 1HB GLU 75 2HB GLU 75 -13.861 -3.972 -7.418 563 2HB GLU 75 1HB GLU 75 -15.295 -3.370 -8.237 564 1HG GLU 75 2HG GLU 75 -13.434 -5.490 -9.286 565 2HG GLU 75 1HG GLU 75 -15.006 -5.772 -8.539 566 H ASN 76 H ASN 76 -11.723 -1.955 -7.402 567 HA ASN 76 HA ASN 76 -13.417 0.155 -6.312 568 1HB ASN 76 2HB ASN 76 -11.997 -1.657 -5.004 569 2HB ASN 76 1HB ASN 76 -10.704 -0.486 -5.220 570 1HD2 ASN 76 1HD2 ASN 76 -12.386 1.856 -4.988 571 2HD2 ASN 76 2HD2 ASN 76 -12.863 1.955 -3.329 572 H GLY 77 H GLY 77 -11.392 -0.000 -8.811 573 1HA GLY 77 2HA GLY 77 -9.381 1.825 -8.593 574 2HA GLY 77 1HA GLY 77 -10.286 1.558 -10.065 575 H THR 78 H THR 78 -12.778 2.636 -8.729 576 HA THR 78 HA THR 78 -12.485 5.299 -9.594 577 HB THR 78 HB THR 78 -14.633 4.613 -9.867 578 HG1 THR 78 HG1 THR 78 -14.679 6.599 -8.690 579 1HG2 THR 78 1HG2 THR 78 -15.985 3.385 -8.196 580 2HG2 THR 78 2HG2 THR 78 -14.581 3.336 -7.132 581 3HG2 THR 78 3HG2 THR 78 -14.533 2.518 -8.690 582 H TRP 79 H TRP 79 -13.820 4.744 -6.344 583 HA TRP 79 HA TRP 79 -13.280 5.518 -4.283 584 1HB TRP 79 2HB TRP 79 -11.050 4.516 -4.808 585 2HB TRP 79 1HB TRP 79 -10.538 6.076 -5.436 586 HD1 TRP 79 HD1 TRP 79 -9.391 7.643 -3.754 587 HE1 TRP 79 HE1 TRP 79 -9.125 7.715 -1.194 588 HE3 TRP 79 HE3 TRP 79 -12.473 3.760 -2.503 589 HZ2 TRP 79 HZ2 TRP 79 -10.092 6.310 1.056 590 HZ3 TRP 79 HZ3 TRP 79 -12.746 3.186 -0.126 591 HH2 TRP 79 HH2 TRP 79 -11.579 4.433 1.616 592 H SER 80 H SER 80 -12.366 7.608 -3.153 593 HA SER 80 HA SER 80 -12.570 9.977 -4.829 594 1HB SER 80 2HB SER 80 -14.387 9.464 -2.463 595 2HB SER 80 1HB SER 80 -14.246 11.003 -3.310 596 HG SER 80 HG SER 80 -14.695 8.962 -5.042 597 H LYS 81 H LYS 81 -10.938 11.274 -4.272 598 HA LYS 81 HA LYS 81 -9.463 10.764 -1.858 599 1HB LYS 81 2HB LYS 81 -7.921 12.523 -2.694 600 2HB LYS 81 1HB LYS 81 -8.209 11.237 -3.850 601 1HG LYS 81 2HG LYS 81 -8.226 13.182 -5.129 602 2HG LYS 81 1HG LYS 81 -9.933 12.800 -4.908 603 1HD LYS 81 2HD LYS 81 -10.154 14.484 -3.213 604 2HD LYS 81 1HD LYS 81 -8.410 14.755 -3.187 605 1HE LYS 81 2HE LYS 81 -8.487 15.630 -5.451 606 2HE LYS 81 1HE LYS 81 -10.212 15.277 -5.553 607 1HZ LYS 81 1HZ LYS 81 -9.308 17.655 -4.917 608 2HZ LYS 81 2HZ LYS 81 -9.316 16.986 -3.357 609 3HZ LYS 81 3HZ LYS 81 -10.751 17.047 -4.265 610 H ALA 82 H ALA 82 -12.142 12.624 -2.468 611 HA ALA 82 HA ALA 82 -11.506 14.411 -0.225 612 1HB ALA 82 1HB ALA 82 -12.709 16.221 -1.310 613 2HB ALA 82 2HB ALA 82 -13.026 15.191 -2.707 614 3HB ALA 82 3HB ALA 82 -11.373 15.666 -2.318 Start of MODEL 8 1 H LYS 5 H LYS 5 -10.172 0.335 4.285 2 HA LYS 5 HA LYS 5 -11.599 0.947 1.798 3 1HB LYS 5 2HB LYS 5 -12.677 2.884 2.887 4 2HB LYS 5 1HB LYS 5 -13.178 1.353 3.581 5 1HG LYS 5 2HG LYS 5 -11.372 1.813 5.354 6 2HG LYS 5 1HG LYS 5 -11.431 3.472 4.757 7 1HD LYS 5 2HD LYS 5 -13.723 1.874 5.898 8 2HD LYS 5 1HD LYS 5 -12.908 3.241 6.654 9 1HE LYS 5 2HE LYS 5 -14.440 3.384 4.062 10 2HE LYS 5 1HE LYS 5 -15.106 3.805 5.636 11 1HZ LYS 5 1HZ LYS 5 -13.295 5.485 5.816 12 2HZ LYS 5 2HZ LYS 5 -14.415 5.791 4.583 13 3HZ LYS 5 3HZ LYS 5 -12.891 5.165 4.199 14 H LEU 6 H LEU 6 -9.371 2.199 4.287 15 HA LEU 6 HA LEU 6 -8.272 4.140 2.457 16 1HB LEU 6 2HB LEU 6 -7.494 3.238 5.217 17 2HB LEU 6 1HB LEU 6 -6.459 4.295 4.282 18 HG LEU 6 HG LEU 6 -7.667 5.699 5.731 19 1HD1 LEU 6 1HD1 LEU 6 -9.051 5.763 3.056 20 2HD1 LEU 6 2HD1 LEU 6 -7.531 6.556 3.471 21 3HD1 LEU 6 3HD1 LEU 6 -9.032 7.070 4.240 22 1HD2 LEU 6 1HD2 LEU 6 -9.381 4.144 6.439 23 2HD2 LEU 6 2HD2 LEU 6 -10.176 4.270 4.870 24 3HD2 LEU 6 3HD2 LEU 6 -10.109 5.671 5.940 25 H ARG 7 H ARG 7 -7.909 0.840 2.876 26 HA ARG 7 HA ARG 7 -5.119 0.521 2.546 27 1HB ARG 7 2HB ARG 7 -7.047 -1.506 1.476 28 2HB ARG 7 1HB ARG 7 -5.521 -1.756 2.307 29 1HG ARG 7 2HG ARG 7 -8.069 -0.803 3.593 30 2HG ARG 7 1HG ARG 7 -7.455 -2.451 3.637 31 1HD ARG 7 2HD ARG 7 -5.516 -1.736 4.891 32 2HD ARG 7 1HD ARG 7 -6.015 -0.048 4.757 33 HE ARG 7 HE ARG 7 -8.100 -1.506 5.939 34 1HH1 ARG 7 1HH1 ARG 7 -4.839 -0.505 6.710 35 2HH1 ARG 7 2HH1 ARG 7 -5.136 -0.392 8.422 36 1HH2 ARG 7 1HH2 ARG 7 -8.512 -1.338 8.182 37 2HH2 ARG 7 2HH2 ARG 7 -7.227 -0.853 9.253 38 H TYR 8 H TYR 8 -7.837 0.592 0.277 39 HA TYR 8 HA TYR 8 -6.435 0.144 -2.096 40 1HB TYR 8 2HB TYR 8 -8.803 0.053 -2.211 41 2HB TYR 8 1HB TYR 8 -8.976 1.653 -1.493 42 HD1 TYR 8 HD1 TYR 8 -7.624 -0.036 -4.534 43 HD2 TYR 8 HD2 TYR 8 -9.308 3.490 -2.857 44 HE1 TYR 8 HE1 TYR 8 -7.719 0.976 -6.774 45 HE2 TYR 8 HE2 TYR 8 -9.414 4.511 -5.087 46 HH TYR 8 HH TYR 8 -8.889 2.717 -7.964 47 H ALA 9 H ALA 9 -7.108 3.130 -0.343 48 HA ALA 9 HA ALA 9 -6.242 4.985 -2.214 49 1HB ALA 9 1HB ALA 9 -6.008 5.173 0.787 50 2HB ALA 9 2HB ALA 9 -7.438 5.579 -0.163 51 3HB ALA 9 3HB ALA 9 -5.959 6.519 -0.350 52 H ILE 10 H ILE 10 -4.375 3.316 0.308 53 HA ILE 10 HA ILE 10 -1.922 4.602 -0.403 54 HB ILE 10 HB ILE 10 -2.391 2.098 1.224 55 1HG1 ILE 10 2HG1 ILE 10 -1.921 4.972 2.054 56 2HG1 ILE 10 1HG1 ILE 10 -3.448 4.105 2.172 57 1HG2 ILE 10 1HG2 ILE 10 -0.127 2.478 2.092 58 2HG2 ILE 10 2HG2 ILE 10 0.075 3.818 0.963 59 3HG2 ILE 10 3HG2 ILE 10 -0.116 2.174 0.355 60 1HD1 ILE 10 1HD1 ILE 10 -0.919 3.449 3.663 61 2HD1 ILE 10 2HD1 ILE 10 -2.440 2.565 3.778 62 3HD1 ILE 10 3HD1 ILE 10 -2.350 4.238 4.325 63 H LEU 11 H LEU 11 -3.364 1.439 -1.141 64 HA LEU 11 HA LEU 11 -1.151 0.248 -2.333 65 1HB LEU 11 2HB LEU 11 -4.096 -0.141 -2.697 66 2HB LEU 11 1HB LEU 11 -2.947 -1.044 -3.667 67 HG LEU 11 HG LEU 11 -3.135 -1.089 -0.654 68 1HD1 LEU 11 1HD1 LEU 11 -3.890 -3.377 -0.954 69 2HD1 LEU 11 2HD1 LEU 11 -3.797 -3.195 -2.706 70 3HD1 LEU 11 3HD1 LEU 11 -4.972 -2.256 -1.784 71 1HD2 LEU 11 1HD2 LEU 11 -1.334 -2.599 -2.543 72 2HD2 LEU 11 2HD2 LEU 11 -1.475 -2.892 -0.810 73 3HD2 LEU 11 3HD2 LEU 11 -0.839 -1.356 -1.395 74 H LYS 12 H LYS 12 -3.769 2.078 -3.963 75 HA LYS 12 HA LYS 12 -2.526 1.729 -6.506 76 1HB LYS 12 2HB LYS 12 -4.204 3.319 -7.357 77 2HB LYS 12 1HB LYS 12 -4.914 2.014 -6.426 78 1HG LYS 12 2HG LYS 12 -6.110 3.876 -5.755 79 2HG LYS 12 1HG LYS 12 -4.916 3.687 -4.472 80 1HD LYS 12 2HD LYS 12 -3.594 5.467 -5.325 81 2HD LYS 12 1HD LYS 12 -4.517 5.518 -6.828 82 1HE LYS 12 2HE LYS 12 -5.660 6.131 -4.109 83 2HE LYS 12 1HE LYS 12 -5.056 7.352 -5.229 84 1HZ LYS 12 1HZ LYS 12 -7.308 5.483 -5.733 85 2HZ LYS 12 2HZ LYS 12 -6.700 6.594 -6.854 86 3HZ LYS 12 3HZ LYS 12 -7.436 7.145 -5.430 87 H GLU 13 H GLU 13 -2.110 3.984 -3.948 88 HA GLU 13 HA GLU 13 -0.886 6.008 -5.594 89 1HB GLU 13 2HB GLU 13 -2.041 6.136 -3.167 90 2HB GLU 13 1HB GLU 13 -0.361 5.965 -2.677 91 1HG GLU 13 2HG GLU 13 -0.921 8.297 -2.801 92 2HG GLU 13 1HG GLU 13 0.219 7.902 -4.089 93 H ILE 14 H ILE 14 0.105 3.195 -3.824 94 HA ILE 14 HA ILE 14 2.914 3.666 -4.043 95 HB ILE 14 HB ILE 14 1.323 1.118 -3.696 96 1HG1 ILE 14 2HG1 ILE 14 3.055 2.684 -1.770 97 2HG1 ILE 14 1HG1 ILE 14 1.294 2.705 -1.804 98 1HG2 ILE 14 1HG2 ILE 14 3.408 0.588 -4.832 99 2HG2 ILE 14 2HG2 ILE 14 3.432 -0.006 -3.171 100 3HG2 ILE 14 3HG2 ILE 14 4.317 1.459 -3.599 101 1HD1 ILE 14 1HD1 ILE 14 2.134 1.271 -0.032 102 2HD1 ILE 14 2HD1 ILE 14 3.018 0.309 -1.218 103 3HD1 ILE 14 3HD1 ILE 14 1.254 0.333 -1.239 104 H PHE 15 H PHE 15 0.515 1.900 -5.925 105 HA PHE 15 HA PHE 15 2.218 0.826 -7.862 106 1HB PHE 15 2HB PHE 15 -0.100 0.078 -7.442 107 2HB PHE 15 1HB PHE 15 -0.699 1.576 -8.139 108 HD1 PHE 15 HD1 PHE 15 -1.125 1.715 -10.414 109 HD2 PHE 15 HD2 PHE 15 1.305 -1.448 -8.944 110 HE1 PHE 15 HE1 PHE 15 -1.157 0.669 -12.637 111 HE2 PHE 15 HE2 PHE 15 1.283 -2.504 -11.167 112 HZ PHE 15 HZ PHE 15 0.047 -1.444 -13.016 113 H GLU 16 H GLU 16 0.278 3.832 -7.970 114 HA GLU 16 HA GLU 16 1.585 4.506 -10.503 115 1HB GLU 16 2HB GLU 16 -0.892 5.524 -9.139 116 2HB GLU 16 1HB GLU 16 -0.174 6.367 -10.507 117 1HG GLU 16 2HG GLU 16 -1.084 3.501 -10.536 118 2HG GLU 16 1HG GLU 16 -2.013 4.865 -11.152 119 H GLY 17 H GLY 17 2.039 5.141 -7.267 120 1HA GLY 17 2HA GLY 17 2.789 7.930 -7.624 121 2HA GLY 17 1HA GLY 17 2.812 7.028 -6.116 122 H ASN 18 H ASN 18 4.253 4.893 -7.888 123 HA ASN 18 HA ASN 18 6.349 4.301 -8.536 124 1HB ASN 18 2HB ASN 18 6.501 6.401 -9.776 125 2HB ASN 18 1HB ASN 18 6.981 7.256 -8.316 126 1HD2 ASN 18 1HD2 ASN 18 9.076 7.047 -7.552 127 2HD2 ASN 18 2HD2 ASN 18 10.334 6.312 -8.486 128 H THR 19 H THR 19 5.671 5.960 -5.670 129 HA THR 19 HA THR 19 6.421 5.960 -3.569 130 HB THR 19 HB THR 19 7.788 3.914 -2.813 131 HG1 THR 19 HG1 THR 19 8.025 3.483 -5.351 132 1HG2 THR 19 1HG2 THR 19 5.037 3.577 -4.003 133 2HG2 THR 19 2HG2 THR 19 5.413 4.205 -2.398 134 3HG2 THR 19 3HG2 THR 19 5.772 2.525 -2.792 135 HA PRO 20 HA PRO 20 7.578 5.309 -1.626 136 1HB PRO 20 2HB PRO 20 8.672 6.710 0.359 137 2HB PRO 20 1HB PRO 20 9.533 5.354 -0.382 138 1HG PRO 20 2HG PRO 20 9.889 8.292 -0.821 139 2HG PRO 20 1HG PRO 20 11.119 7.025 -0.666 140 1HD PRO 20 2HD PRO 20 10.216 8.064 -3.067 141 2HD PRO 20 1HD PRO 20 10.988 6.476 -2.876 142 H LEU 21 H LEU 21 6.276 6.419 0.120 143 HA LEU 21 HA LEU 21 5.735 9.236 -0.236 144 1HB LEU 21 2HB LEU 21 3.366 9.043 -0.539 145 2HB LEU 21 1HB LEU 21 4.151 8.131 -1.809 146 HG LEU 21 HG LEU 21 3.087 6.788 0.669 147 1HD1 LEU 21 1HD1 LEU 21 1.239 8.012 -0.312 148 2HD1 LEU 21 2HD1 LEU 21 1.056 6.283 -0.615 149 3HD1 LEU 21 3HD1 LEU 21 1.617 7.351 -1.903 150 1HD2 LEU 21 1HD2 LEU 21 3.585 5.776 -2.131 151 2HD2 LEU 21 2HD2 LEU 21 3.018 4.825 -0.758 152 3HD2 LEU 21 3HD2 LEU 21 4.644 5.513 -0.743 153 H SER 22 H SER 22 5.287 10.169 1.682 154 HA SER 22 HA SER 22 5.340 8.480 4.034 155 1HB SER 22 2HB SER 22 5.124 11.495 3.912 156 2HB SER 22 1HB SER 22 5.689 10.511 5.263 157 HG SER 22 HG SER 22 7.190 11.606 3.506 158 H GLU 23 H GLU 23 3.823 9.110 5.867 159 HA GLU 23 HA GLU 23 1.144 8.730 5.155 160 1HB GLU 23 2HB GLU 23 0.606 9.179 7.485 161 2HB GLU 23 1HB GLU 23 2.050 8.186 7.385 162 1HG GLU 23 2HG GLU 23 1.939 11.136 8.003 163 2HG GLU 23 1HG GLU 23 2.264 9.834 9.136 164 H ASN 24 H ASN 24 3.002 11.636 5.806 165 HA ASN 24 HA ASN 24 0.854 13.482 5.659 166 1HB ASN 24 2HB ASN 24 3.839 13.726 5.408 167 2HB ASN 24 1HB ASN 24 2.801 15.113 5.106 168 1HD2 ASN 24 1HD2 ASN 24 3.927 12.836 7.505 169 2HD2 ASN 24 2HD2 ASN 24 3.421 13.756 8.890 170 H ASP 25 H ASP 25 2.464 11.690 3.242 171 HA ASP 25 HA ASP 25 1.893 13.569 1.107 172 1HB ASP 25 2HB ASP 25 3.073 10.794 1.138 173 2HB ASP 25 1HB ASP 25 2.645 11.605 -0.364 174 H ILE 26 H ILE 26 0.787 10.349 2.107 175 HA ILE 26 HA ILE 26 -1.172 10.201 0.040 176 HB ILE 26 HB ILE 26 -0.130 8.198 0.970 177 1HG1 ILE 26 2HG1 ILE 26 -2.525 8.211 -0.004 178 2HG1 ILE 26 1HG1 ILE 26 -1.975 6.781 0.855 179 1HG2 ILE 26 1HG2 ILE 26 -0.774 7.330 3.168 180 2HG2 ILE 26 2HG2 ILE 26 -1.622 8.841 3.497 181 3HG2 ILE 26 3HG2 ILE 26 0.126 8.843 3.263 182 1HD1 ILE 26 1HD1 ILE 26 -4.255 7.301 1.438 183 2HD1 ILE 26 2HD1 ILE 26 -3.787 8.924 1.940 184 3HD1 ILE 26 3HD1 ILE 26 -3.211 7.522 2.840 185 H GLY 27 H GLY 27 -1.280 11.082 3.476 186 1HA GLY 27 2HA GLY 27 -2.830 12.923 3.981 187 2HA GLY 27 1HA GLY 27 -4.004 12.109 2.959 188 H VAL 28 H VAL 28 -2.077 10.157 5.054 189 HA VAL 28 HA VAL 28 -4.254 10.091 7.034 190 HB VAL 28 HB VAL 28 -3.936 7.687 7.352 191 1HG1 VAL 28 1HG1 VAL 28 -4.500 8.398 4.480 192 2HG1 VAL 28 2HG1 VAL 28 -5.661 8.405 5.808 193 3HG1 VAL 28 3HG1 VAL 28 -4.944 6.886 5.270 194 1HG2 VAL 28 1HG2 VAL 28 -2.586 6.353 5.819 195 2HG2 VAL 28 2HG2 VAL 28 -1.591 7.527 6.679 196 3HG2 VAL 28 3HG2 VAL 28 -2.049 7.820 5.003 197 H THR 29 H THR 29 -3.395 8.915 9.109 198 HA THR 29 HA THR 29 -0.908 10.230 9.795 199 HB THR 29 HB THR 29 -2.513 10.405 11.485 200 HG1 THR 29 HG1 THR 29 -0.393 9.855 12.252 201 1HG2 THR 29 1HG2 THR 29 -2.858 7.413 11.365 202 2HG2 THR 29 2HG2 THR 29 -4.029 8.624 10.841 203 3HG2 THR 29 3HG2 THR 29 -3.624 8.471 12.551 204 H GLU 30 H GLU 30 0.766 9.147 10.913 205 HA GLU 30 HA GLU 30 1.815 7.031 9.364 206 1HB GLU 30 2HB GLU 30 3.571 6.988 11.280 207 2HB GLU 30 1HB GLU 30 3.460 8.402 10.242 208 1HG GLU 30 2HG GLU 30 1.992 8.286 12.849 209 2HG GLU 30 1HG GLU 30 3.697 8.721 12.783 210 H ASP 31 H ASP 31 0.106 7.111 12.404 211 HA ASP 31 HA ASP 31 0.560 4.521 13.320 212 1HB ASP 31 2HB ASP 31 -1.904 6.260 13.492 213 2HB ASP 31 1HB ASP 31 -1.760 4.713 14.321 214 H GLN 32 H GLN 32 -1.891 5.731 11.070 215 HA GLN 32 HA GLN 32 -2.922 3.078 10.621 216 1HB GLN 32 2HB GLN 32 -3.621 5.706 9.304 217 2HB GLN 32 1HB GLN 32 -4.464 4.187 9.036 218 1HG GLN 32 2HG GLN 32 -4.363 5.844 11.531 219 2HG GLN 32 1HG GLN 32 -5.770 5.366 10.580 220 1HE2 GLN 32 1HE2 GLN 32 -6.544 3.240 10.750 221 2HE2 GLN 32 2HE2 GLN 32 -6.123 2.223 12.086 222 H PHE 33 H PHE 33 -0.565 5.144 9.199 223 HA PHE 33 HA PHE 33 -0.443 3.947 6.638 224 1HB PHE 33 2HB PHE 33 0.698 6.093 7.306 225 2HB PHE 33 1HB PHE 33 1.863 5.131 8.206 226 HD1 PHE 33 HD1 PHE 33 3.674 4.061 7.116 227 HD2 PHE 33 HD2 PHE 33 0.565 5.868 4.839 228 HE1 PHE 33 HE1 PHE 33 5.024 3.804 5.075 229 HE2 PHE 33 HE2 PHE 33 1.908 5.614 2.793 230 HZ PHE 33 HZ PHE 33 4.140 4.578 2.910 231 H ASP 34 H ASP 34 1.566 3.416 9.543 232 HA ASP 34 HA ASP 34 2.814 1.048 8.776 233 1HB ASP 34 2HB ASP 34 1.982 2.116 11.469 234 2HB ASP 34 1HB ASP 34 2.773 0.553 11.317 235 H ASP 35 H ASP 35 -0.230 1.532 10.503 236 HA ASP 35 HA ASP 35 -1.022 -1.076 10.928 237 1HB ASP 35 2HB ASP 35 -2.252 0.747 11.883 238 2HB ASP 35 1HB ASP 35 -2.649 1.386 10.293 239 H ALA 36 H ALA 36 -1.664 0.940 8.070 240 HA ALA 36 HA ALA 36 -3.113 -1.056 6.681 241 1HB ALA 36 1HB ALA 36 -3.331 1.334 6.189 242 2HB ALA 36 2HB ALA 36 -2.929 0.397 4.750 243 3HB ALA 36 3HB ALA 36 -1.682 1.347 5.560 244 H VAL 37 H VAL 37 0.253 0.090 6.360 245 HA VAL 37 HA VAL 37 0.939 -1.572 4.213 246 HB VAL 37 HB VAL 37 2.713 -0.416 6.368 247 1HG1 VAL 37 1HG1 VAL 37 3.811 -2.319 5.301 248 2HG1 VAL 37 2HG1 VAL 37 4.579 -0.802 4.834 249 3HG1 VAL 37 3HG1 VAL 37 3.493 -1.623 3.710 250 1HG2 VAL 37 1HG2 VAL 37 3.251 1.271 4.670 251 2HG2 VAL 37 2HG2 VAL 37 1.530 1.262 5.057 252 3HG2 VAL 37 3HG2 VAL 37 2.102 0.519 3.562 253 H ASN 38 H ASN 38 1.214 -2.128 7.716 254 HA ASN 38 HA ASN 38 2.443 -4.664 7.481 255 1HB ASN 38 2HB ASN 38 0.813 -3.436 9.705 256 2HB ASN 38 1HB ASN 38 1.542 -5.033 9.827 257 1HD2 ASN 38 1HD2 ASN 38 2.075 -2.691 11.427 258 2HD2 ASN 38 2HD2 ASN 38 3.757 -2.331 11.238 259 H PHE 39 H PHE 39 -0.944 -3.666 7.682 260 HA PHE 39 HA PHE 39 -2.065 -6.255 7.701 261 1HB PHE 39 2HB PHE 39 -3.387 -4.294 8.304 262 2HB PHE 39 1HB PHE 39 -3.217 -3.647 6.677 263 HD1 PHE 39 HD1 PHE 39 -4.772 -4.175 5.021 264 HD2 PHE 39 HD2 PHE 39 -4.622 -6.507 8.582 265 HE1 PHE 39 HE1 PHE 39 -6.830 -5.338 4.343 266 HE2 PHE 39 HE2 PHE 39 -6.679 -7.675 7.905 267 HZ PHE 39 HZ PHE 39 -7.786 -7.091 5.782 268 H LEU 40 H LEU 40 -1.240 -4.043 5.081 269 HA LEU 40 HA LEU 40 -2.270 -5.502 2.933 270 1HB LEU 40 2HB LEU 40 0.120 -3.663 3.064 271 2HB LEU 40 1HB LEU 40 -0.587 -4.255 1.574 272 HG LEU 40 HG LEU 40 -2.065 -2.566 3.592 273 1HD1 LEU 40 1HD1 LEU 40 -0.771 -1.768 0.989 274 2HD1 LEU 40 2HD1 LEU 40 -0.218 -1.315 2.601 275 3HD1 LEU 40 3HD1 LEU 40 -1.773 -0.732 2.005 276 1HD2 LEU 40 1HD2 LEU 40 -3.670 -2.273 1.776 277 2HD2 LEU 40 2HD2 LEU 40 -3.507 -3.971 2.224 278 3HD2 LEU 40 3HD2 LEU 40 -2.725 -3.364 0.763 279 H LYS 41 H LYS 41 0.957 -5.601 4.422 280 HA LYS 41 HA LYS 41 1.961 -7.611 2.670 281 1HB LYS 41 2HB LYS 41 3.381 -6.036 4.026 282 2HB LYS 41 1HB LYS 41 2.938 -6.956 5.458 283 1HG LYS 41 2HG LYS 41 3.931 -8.968 4.409 284 2HG LYS 41 1HG LYS 41 4.465 -7.960 3.068 285 1HD LYS 41 2HD LYS 41 6.347 -8.120 4.451 286 2HD LYS 41 1HD LYS 41 5.654 -6.547 4.841 287 1HE LYS 41 2HE LYS 41 4.993 -9.010 6.428 288 2HE LYS 41 1HE LYS 41 6.411 -8.029 6.785 289 1HZ LYS 41 1HZ LYS 41 3.638 -6.981 6.722 290 2HZ LYS 41 2HZ LYS 41 5.026 -6.157 7.234 291 3HZ LYS 41 3HZ LYS 41 4.436 -7.467 8.131 292 H ARG 42 H ARG 42 0.281 -7.628 5.736 293 HA ARG 42 HA ARG 42 0.735 -10.330 6.439 294 1HB ARG 42 2HB ARG 42 -0.339 -8.204 7.706 295 2HB ARG 42 1HB ARG 42 -1.811 -9.044 7.248 296 1HG ARG 42 2HG ARG 42 -0.987 -11.064 8.385 297 2HG ARG 42 1HG ARG 42 0.446 -10.165 8.893 298 1HD ARG 42 2HD ARG 42 -1.137 -8.504 9.960 299 2HD ARG 42 1HD ARG 42 -2.421 -9.676 9.668 300 HE ARG 42 HE ARG 42 -0.156 -9.994 11.507 301 1HH1 ARG 42 1HH1 ARG 42 -3.180 -11.198 10.206 302 2HH1 ARG 42 2HH1 ARG 42 -3.462 -12.280 11.539 303 1HH2 ARG 42 1HH2 ARG 42 -0.525 -11.386 13.254 304 2HH2 ARG 42 2HH2 ARG 42 -1.962 -12.373 13.287 305 H GLU 43 H GLU 43 -1.830 -8.707 4.628 306 HA GLU 43 HA GLU 43 -3.387 -11.069 4.205 307 1HB GLU 43 2HB GLU 43 -3.806 -8.372 3.950 308 2HB GLU 43 1HB GLU 43 -3.665 -8.867 2.273 309 1HG GLU 43 2HG GLU 43 -5.566 -10.095 4.252 310 2HG GLU 43 1HG GLU 43 -5.987 -8.805 3.131 311 H GLY 44 H GLY 44 -0.988 -9.256 2.348 312 1HA GLY 44 2HA GLY 44 0.616 -10.540 1.043 313 2HA GLY 44 1HA GLY 44 -0.700 -11.617 0.600 314 H TYR 45 H TYR 45 -0.966 -8.114 0.636 315 HA TYR 45 HA TYR 45 -1.862 -8.148 -2.095 316 1HB TYR 45 2HB TYR 45 -1.453 -5.886 -0.136 317 2HB TYR 45 1HB TYR 45 -2.064 -5.659 -1.770 318 HD1 TYR 45 HD1 TYR 45 -3.017 -5.988 1.545 319 HD2 TYR 45 HD2 TYR 45 -4.116 -7.319 -2.343 320 HE1 TYR 45 HE1 TYR 45 -5.304 -6.409 2.341 321 HE2 TYR 45 HE2 TYR 45 -6.405 -7.744 -1.558 322 HH TYR 45 HH TYR 45 -7.542 -8.226 0.619 323 H ILE 46 H ILE 46 1.017 -6.987 -0.388 324 HA ILE 46 HA ILE 46 2.353 -6.740 -2.976 325 HB ILE 46 HB ILE 46 3.308 -4.607 -2.570 326 1HG1 ILE 46 2HG1 ILE 46 3.690 -4.794 -0.147 327 2HG1 ILE 46 1HG1 ILE 46 2.936 -3.263 -0.565 328 1HG2 ILE 46 1HG2 ILE 46 1.067 -4.543 -3.491 329 2HG2 ILE 46 2HG2 ILE 46 1.392 -3.118 -2.506 330 3HG2 ILE 46 3HG2 ILE 46 0.388 -4.420 -1.869 331 1HD1 ILE 46 1HD1 ILE 46 1.581 -5.653 0.645 332 2HD1 ILE 46 2HD1 ILE 46 0.774 -4.162 0.166 333 3HD1 ILE 46 3HD1 ILE 46 1.978 -4.138 1.454 334 H ILE 47 H ILE 47 4.686 -6.640 -2.807 335 HA ILE 47 HA ILE 47 5.769 -7.540 -0.224 336 HB ILE 47 HB ILE 47 7.387 -8.983 -1.331 337 1HG1 ILE 47 2HG1 ILE 47 7.343 -7.710 -3.539 338 2HG1 ILE 47 1HG1 ILE 47 7.434 -9.461 -3.651 339 1HG2 ILE 47 1HG2 ILE 47 5.881 -10.791 -2.019 340 2HG2 ILE 47 2HG2 ILE 47 4.548 -9.637 -2.080 341 3HG2 ILE 47 3HG2 ILE 47 5.345 -9.985 -0.544 342 1HD1 ILE 47 1HD1 ILE 47 5.926 -8.523 -5.311 343 2HD1 ILE 47 2HD1 ILE 47 4.949 -7.806 -4.028 344 3HD1 ILE 47 3HD1 ILE 47 5.060 -9.559 -4.176 345 H GLY 48 H GLY 48 8.264 -7.239 -0.260 346 1HA GLY 48 2HA GLY 48 10.121 -5.931 -0.846 347 2HA GLY 48 1HA GLY 48 9.095 -5.003 -1.927 348 H VAL 49 H VAL 49 7.886 -5.506 1.237 349 HA VAL 49 HA VAL 49 8.175 -2.704 1.854 350 HB VAL 49 HB VAL 49 6.969 -4.953 3.485 351 1HG1 VAL 49 1HG1 VAL 49 7.743 -3.152 4.927 352 2HG1 VAL 49 2HG1 VAL 49 5.981 -3.168 4.854 353 3HG1 VAL 49 3HG1 VAL 49 6.891 -1.968 3.935 354 1HG2 VAL 49 1HG2 VAL 49 5.743 -4.491 1.424 355 2HG2 VAL 49 2HG2 VAL 49 5.672 -2.777 1.842 356 3HG2 VAL 49 3HG2 VAL 49 4.823 -3.965 2.835 357 H HIS 50 H HIS 50 9.953 -1.918 2.737 358 HA HIS 50 HA HIS 50 11.876 -3.729 3.947 359 1HB HIS 50 2HB HIS 50 12.024 -0.837 3.099 360 2HB HIS 50 1HB HIS 50 13.327 -1.637 3.970 361 HD1 HIS 50 HD1 HIS 50 15.089 -1.829 2.216 362 HD2 HIS 50 HD2 HIS 50 11.373 -3.122 0.870 363 HE1 HIS 50 HE1 HIS 50 15.495 -2.820 -0.058 364 HE2 HIS 50 HE2 HIS 50 13.275 -3.807 -0.743 365 H TYR 51 H TYR 51 12.557 -3.668 6.026 366 HA TYR 51 HA TYR 51 11.228 -1.746 7.827 367 1HB TYR 51 2HB TYR 51 11.897 -4.662 8.284 368 2HB TYR 51 1HB TYR 51 11.488 -3.558 9.595 369 HD1 TYR 51 HD1 TYR 51 9.238 -3.030 10.077 370 HD2 TYR 51 HD2 TYR 51 10.186 -5.119 6.499 371 HE1 TYR 51 HE1 TYR 51 6.849 -3.465 9.708 372 HE2 TYR 51 HE2 TYR 51 7.797 -5.560 6.117 373 HH TYR 51 HH TYR 51 5.317 -4.050 8.067 374 H SER 52 H SER 52 12.539 -0.683 9.288 375 HA SER 52 HA SER 52 15.422 -1.243 9.000 376 1HB SER 52 2HB SER 52 14.148 1.492 9.222 377 2HB SER 52 1HB SER 52 15.863 1.148 8.997 378 HG SER 52 HG SER 52 15.422 0.348 6.964 379 H ASP 53 H ASP 53 13.756 1.180 10.924 380 HA ASP 53 HA ASP 53 15.241 0.646 13.275 381 1HB ASP 53 2HB ASP 53 12.553 1.941 13.436 382 2HB ASP 53 1HB ASP 53 14.063 2.403 14.213 383 H ASP 54 H ASP 54 12.218 -0.401 12.005 384 HA ASP 54 HA ASP 54 11.575 -2.595 13.432 385 1HB ASP 54 2HB ASP 54 11.749 -1.410 15.540 386 2HB ASP 54 1HB ASP 54 10.720 -0.111 14.948 387 H ARG 55 H ARG 55 10.639 0.405 12.056 388 HA ARG 55 HA ARG 55 7.944 -0.556 11.437 389 1HB ARG 55 2HB ARG 55 9.143 2.218 11.403 390 2HB ARG 55 1HB ARG 55 7.497 1.842 10.914 391 1HG ARG 55 2HG ARG 55 6.980 1.071 13.153 392 2HG ARG 55 1HG ARG 55 8.647 1.369 13.655 393 1HD ARG 55 2HD ARG 55 7.076 3.170 14.313 394 2HD ARG 55 1HD ARG 55 8.395 3.726 13.281 395 HE ARG 55 HE ARG 55 5.864 3.035 11.990 396 1HH1 ARG 55 1HH1 ARG 55 8.039 5.525 13.174 397 2HH1 ARG 55 2HH1 ARG 55 7.343 6.782 12.192 398 1HH2 ARG 55 1HH2 ARG 55 4.950 4.654 10.709 399 2HH2 ARG 55 2HH2 ARG 55 5.598 6.277 10.761 400 HA PRO 56 HA PRO 56 8.879 -0.930 7.153 401 1HB PRO 56 2HB PRO 56 6.555 -0.166 5.994 402 2HB PRO 56 1HB PRO 56 6.733 -1.692 6.868 403 1HG PRO 56 2HG PRO 56 5.537 0.890 7.787 404 2HG PRO 56 1HG PRO 56 4.959 -0.765 8.047 405 1HD PRO 56 2HD PRO 56 6.318 0.645 9.932 406 2HD PRO 56 1HD PRO 56 6.396 -1.124 9.804 407 H HIS 57 H HIS 57 9.959 0.249 5.737 408 HA HIS 57 HA HIS 57 9.191 3.062 5.334 409 1HB HIS 57 2HB HIS 57 11.986 1.915 5.486 410 2HB HIS 57 1HB HIS 57 11.632 3.499 4.807 411 HD1 HIS 57 HD1 HIS 57 10.724 5.324 6.505 412 HD2 HIS 57 HD2 HIS 57 12.145 1.808 8.220 413 HE1 HIS 57 HE1 HIS 57 11.094 5.851 8.936 414 HE2 HIS 57 HE2 HIS 57 12.147 3.771 9.905 415 H LEU 58 H LEU 58 8.971 3.676 3.246 416 HA LEU 58 HA LEU 58 9.290 1.565 1.247 417 1HB LEU 58 2HB LEU 58 7.710 4.132 1.173 418 2HB LEU 58 1HB LEU 58 7.817 2.994 -0.158 419 HG LEU 58 HG LEU 58 6.601 2.427 2.553 420 1HD1 LEU 58 1HD1 LEU 58 5.341 2.787 -0.162 421 2HD1 LEU 58 2HD1 LEU 58 5.224 3.903 1.198 422 3HD1 LEU 58 3HD1 LEU 58 4.496 2.301 1.308 423 1HD2 LEU 58 1HD2 LEU 58 5.896 0.308 1.555 424 2HD2 LEU 58 2HD2 LEU 58 7.655 0.444 1.614 425 3HD2 LEU 58 3HD2 LEU 58 6.800 0.697 0.091 426 H TYR 59 H TYR 59 10.219 2.014 -0.787 427 HA TYR 59 HA TYR 59 11.865 4.429 -0.961 428 1HB TYR 59 2HB TYR 59 12.820 1.587 -1.363 429 2HB TYR 59 1HB TYR 59 13.707 2.994 -1.940 430 HD1 TYR 59 HD1 TYR 59 12.958 0.898 0.904 431 HD2 TYR 59 HD2 TYR 59 14.581 4.650 -0.274 432 HE1 TYR 59 HE1 TYR 59 14.054 1.108 3.096 433 HE2 TYR 59 HE2 TYR 59 15.682 4.868 1.911 434 HH TYR 59 HH TYR 59 15.985 2.288 4.085 435 H LYS 60 H LYS 60 12.979 4.196 -3.363 436 HA LYS 60 HA LYS 60 10.728 4.521 -5.080 437 1HB LYS 60 2HB LYS 60 13.688 4.524 -5.696 438 2HB LYS 60 1HB LYS 60 12.426 5.010 -6.821 439 1HG LYS 60 2HG LYS 60 11.780 6.824 -5.317 440 2HG LYS 60 1HG LYS 60 13.039 6.334 -4.183 441 1HD LYS 60 2HD LYS 60 14.746 6.802 -5.850 442 2HD LYS 60 1HD LYS 60 13.502 7.243 -7.022 443 1HE LYS 60 2HE LYS 60 14.494 9.229 -6.013 444 2HE LYS 60 1HE LYS 60 12.791 9.083 -5.587 445 1HZ LYS 60 1HZ LYS 60 14.052 9.704 -3.660 446 2HZ LYS 60 2HZ LYS 60 15.109 8.392 -3.858 447 3HZ LYS 60 3HZ LYS 60 13.489 8.121 -3.447 448 H LEU 61 H LEU 61 13.051 1.979 -4.519 449 HA LEU 61 HA LEU 61 11.511 0.294 -6.375 450 1HB LEU 61 2HB LEU 61 13.862 0.928 -7.166 451 2HB LEU 61 1HB LEU 61 14.459 -0.055 -5.844 452 HG LEU 61 HG LEU 61 12.648 -1.179 -7.977 453 1HD1 LEU 61 1HD1 LEU 61 14.634 -0.240 -9.050 454 2HD1 LEU 61 2HD1 LEU 61 14.643 -2.002 -9.101 455 3HD1 LEU 61 3HD1 LEU 61 15.661 -1.148 -7.942 456 1HD2 LEU 61 1HD2 LEU 61 12.825 -2.513 -5.951 457 2HD2 LEU 61 2HD2 LEU 61 14.586 -2.450 -6.042 458 3HD2 LEU 61 3HD2 LEU 61 13.669 -3.307 -7.281 459 H GLY 62 H GLY 62 10.635 -1.431 -5.430 460 1HA GLY 62 2HA GLY 62 11.625 -3.224 -3.688 461 2HA GLY 62 1HA GLY 62 11.199 -1.895 -2.623 462 HA PRO 63 HA PRO 63 7.033 -3.143 -2.434 463 1HB PRO 63 2HB PRO 63 5.861 -0.636 -3.365 464 2HB PRO 63 1HB PRO 63 5.875 -1.325 -1.742 465 1HG PRO 63 2HG PRO 63 7.305 0.875 -2.400 466 2HG PRO 63 1HG PRO 63 7.844 -0.285 -1.174 467 1HD PRO 63 2HD PRO 63 8.719 0.005 -4.022 468 2HD PRO 63 1HD PRO 63 9.693 -0.321 -2.571 469 H GLU 64 H GLU 64 6.774 -4.669 -4.013 470 HA GLU 64 HA GLU 64 5.612 -3.780 -6.566 471 1HB GLU 64 2HB GLU 64 6.777 -6.451 -5.746 472 2HB GLU 64 1HB GLU 64 6.012 -6.139 -7.295 473 1HG GLU 64 2HG GLU 64 8.460 -4.724 -6.274 474 2HG GLU 64 1HG GLU 64 8.467 -6.089 -7.391 475 H LEU 65 H LEU 65 3.549 -4.411 -7.130 476 HA LEU 65 HA LEU 65 1.920 -5.475 -4.962 477 1HB LEU 65 2HB LEU 65 1.195 -4.253 -7.626 478 2HB LEU 65 1HB LEU 65 0.009 -4.930 -6.528 479 HG LEU 65 HG LEU 65 0.919 -3.237 -4.808 480 1HD1 LEU 65 1HD1 LEU 65 1.961 -1.987 -7.340 481 2HD1 LEU 65 2HD1 LEU 65 2.933 -2.607 -6.006 482 3HD1 LEU 65 3HD1 LEU 65 1.886 -1.212 -5.757 483 1HD2 LEU 65 1HD2 LEU 65 -1.284 -3.092 -5.833 484 2HD2 LEU 65 2HD2 LEU 65 -0.588 -2.272 -7.230 485 3HD2 LEU 65 3HD2 LEU 65 -0.562 -1.496 -5.647 486 H THR 66 H THR 66 0.860 -7.412 -5.009 487 HA THR 66 HA THR 66 1.631 -9.285 -7.108 488 HB THR 66 HB THR 66 0.620 -11.011 -5.714 489 HG1 THR 66 HG1 THR 66 -0.002 -9.851 -3.475 490 1HG2 THR 66 1HG2 THR 66 2.283 -9.103 -4.065 491 2HG2 THR 66 2HG2 THR 66 2.903 -10.341 -5.157 492 3HG2 THR 66 3HG2 THR 66 2.016 -10.810 -3.707 493 H GLU 67 H GLU 67 -0.271 -10.871 -7.728 494 HA GLU 67 HA GLU 67 -2.230 -9.452 -9.131 495 1HB GLU 67 2HB GLU 67 -2.158 -12.330 -8.229 496 2HB GLU 67 1HB GLU 67 -3.428 -11.680 -9.256 497 1HG GLU 67 2HG GLU 67 -0.495 -11.832 -9.886 498 2HG GLU 67 1HG GLU 67 -1.790 -12.790 -10.605 499 H LYS 68 H LYS 68 -2.208 -10.718 -5.874 500 HA LYS 68 HA LYS 68 -4.971 -10.537 -5.357 501 1HB LYS 68 2HB LYS 68 -3.316 -11.756 -3.929 502 2HB LYS 68 1HB LYS 68 -2.706 -10.203 -3.377 503 1HG LYS 68 2HG LYS 68 -4.214 -11.156 -1.737 504 2HG LYS 68 1HG LYS 68 -4.907 -9.683 -2.421 505 1HD LYS 68 2HD LYS 68 -6.267 -11.060 -3.944 506 2HD LYS 68 1HD LYS 68 -5.597 -12.514 -3.205 507 1HE LYS 68 2HE LYS 68 -7.205 -10.403 -1.773 508 2HE LYS 68 1HE LYS 68 -7.827 -11.954 -2.330 509 1HZ LYS 68 1HZ LYS 68 -7.349 -12.308 -0.112 510 2HZ LYS 68 2HZ LYS 68 -5.917 -11.405 -0.142 511 3HZ LYS 68 3HZ LYS 68 -5.977 -12.935 -0.882 512 H GLY 69 H GLY 69 -2.314 -8.231 -4.910 513 1HA GLY 69 2HA GLY 69 -4.020 -6.194 -3.823 514 2HA GLY 69 1HA GLY 69 -2.341 -6.002 -4.306 515 H GLU 70 H GLU 70 -2.564 -6.813 -6.986 516 HA GLU 70 HA GLU 70 -3.291 -4.351 -8.147 517 1HB GLU 70 2HB GLU 70 -1.568 -5.950 -9.032 518 2HB GLU 70 1HB GLU 70 -2.885 -6.975 -9.587 519 1HG GLU 70 2HG GLU 70 -3.700 -5.081 -10.964 520 2HG GLU 70 1HG GLU 70 -2.264 -4.176 -10.488 521 H ASN 71 H ASN 71 -4.934 -7.495 -8.033 522 HA ASN 71 HA ASN 71 -7.105 -6.544 -9.669 523 1HB ASN 71 2HB ASN 71 -6.663 -9.098 -8.138 524 2HB ASN 71 1HB ASN 71 -8.196 -8.741 -8.933 525 1HD2 ASN 71 1HD2 ASN 71 -4.874 -9.567 -9.354 526 2HD2 ASN 71 2HD2 ASN 71 -4.944 -9.877 -11.056 527 H TYR 72 H TYR 72 -6.325 -6.563 -6.320 528 HA TYR 72 HA TYR 72 -8.898 -6.123 -5.253 529 1HB TYR 72 2HB TYR 72 -7.098 -6.635 -3.748 530 2HB TYR 72 1HB TYR 72 -6.150 -5.266 -4.318 531 HD1 TYR 72 HD1 TYR 72 -6.297 -3.194 -3.249 532 HD2 TYR 72 HD2 TYR 72 -9.282 -6.133 -2.504 533 HE1 TYR 72 HE1 TYR 72 -7.233 -1.780 -1.468 534 HE2 TYR 72 HE2 TYR 72 -10.221 -4.730 -0.718 535 HH TYR 72 HH TYR 72 -9.898 -2.921 0.568 536 H LEU 73 H LEU 73 -6.538 -4.035 -6.785 537 HA LEU 73 HA LEU 73 -7.713 -1.550 -6.260 538 1HB LEU 73 2HB LEU 73 -6.237 -2.399 -8.753 539 2HB LEU 73 1HB LEU 73 -6.515 -0.749 -8.234 540 HG LEU 73 HG LEU 73 -4.846 -2.774 -6.743 541 1HD1 LEU 73 1HD1 LEU 73 -4.006 -0.404 -8.408 542 2HD1 LEU 73 2HD1 LEU 73 -3.823 -2.098 -8.857 543 3HD1 LEU 73 3HD1 LEU 73 -2.938 -1.454 -7.476 544 1HD2 LEU 73 1HD2 LEU 73 -4.131 -0.839 -5.415 545 2HD2 LEU 73 2HD2 LEU 73 -5.859 -1.150 -5.253 546 3HD2 LEU 73 3HD2 LEU 73 -5.295 0.171 -6.275 547 H LYS 74 H LYS 74 -8.641 -4.098 -8.427 548 HA LYS 74 HA LYS 74 -10.294 -2.491 -10.123 549 1HB LYS 74 2HB LYS 74 -9.371 -4.647 -10.886 550 2HB LYS 74 1HB LYS 74 -10.328 -5.485 -9.672 551 1HG LYS 74 2HG LYS 74 -12.374 -4.576 -10.768 552 2HG LYS 74 1HG LYS 74 -11.340 -3.951 -12.050 553 1HD LYS 74 2HD LYS 74 -11.490 -6.860 -11.265 554 2HD LYS 74 1HD LYS 74 -12.440 -6.140 -12.564 555 1HE LYS 74 2HE LYS 74 -10.653 -6.990 -13.740 556 2HE LYS 74 1HE LYS 74 -10.102 -5.346 -13.431 557 1HZ LYS 74 1HZ LYS 74 -8.763 -6.141 -11.610 558 2HZ LYS 74 2HZ LYS 74 -8.391 -7.028 -12.999 559 3HZ LYS 74 3HZ LYS 74 -9.365 -7.718 -11.794 560 H GLU 75 H GLU 75 -10.928 -4.700 -7.405 561 HA GLU 75 HA GLU 75 -13.750 -4.329 -7.572 562 1HB GLU 75 2HB GLU 75 -13.760 -5.588 -5.381 563 2HB GLU 75 1HB GLU 75 -13.043 -6.423 -6.750 564 1HG GLU 75 2HG GLU 75 -11.174 -6.722 -5.619 565 2HG GLU 75 1HG GLU 75 -10.999 -4.982 -5.395 566 H ASN 76 H ASN 76 -11.218 -3.000 -5.468 567 HA ASN 76 HA ASN 76 -13.265 -1.351 -4.169 568 1HB ASN 76 2HB ASN 76 -11.520 -2.656 -2.820 569 2HB ASN 76 1HB ASN 76 -10.369 -1.434 -3.356 570 1HD2 ASN 76 1HD2 ASN 76 -10.170 -0.934 -1.062 571 2HD2 ASN 76 2HD2 ASN 76 -11.337 0.103 -0.322 572 H GLY 77 H GLY 77 -11.477 -1.130 -6.859 573 1HA GLY 77 2HA GLY 77 -10.509 1.480 -6.892 574 2HA GLY 77 1HA GLY 77 -11.215 0.658 -8.278 575 H THR 78 H THR 78 -13.785 0.355 -6.735 576 HA THR 78 HA THR 78 -14.986 2.862 -7.422 577 HB THR 78 HB THR 78 -16.263 0.799 -7.686 578 HG1 THR 78 HG1 THR 78 -17.255 2.928 -6.887 579 1HG2 THR 78 1HG2 THR 78 -15.325 -0.502 -5.853 580 2HG2 THR 78 2HG2 THR 78 -17.084 -0.445 -5.733 581 3HG2 THR 78 3HG2 THR 78 -16.095 0.568 -4.681 582 H TRP 79 H TRP 79 -13.579 1.467 -4.621 583 HA TRP 79 HA TRP 79 -13.283 2.129 -2.482 584 1HB TRP 79 2HB TRP 79 -12.045 3.811 -3.852 585 2HB TRP 79 1HB TRP 79 -13.428 4.888 -3.705 586 HD1 TRP 79 HD1 TRP 79 -13.503 3.672 -0.405 587 HE1 TRP 79 HE1 TRP 79 -12.044 5.036 1.222 588 HE3 TRP 79 HE3 TRP 79 -10.536 6.070 -3.796 589 HZ2 TRP 79 HZ2 TRP 79 -9.913 6.881 1.082 590 HZ3 TRP 79 HZ3 TRP 79 -8.814 7.618 -2.973 591 HH2 TRP 79 HH2 TRP 79 -8.507 8.015 -0.585 592 H SER 80 H SER 80 -15.649 1.311 -2.401 593 HA SER 80 HA SER 80 -16.916 2.822 -0.412 594 1HB SER 80 2HB SER 80 -19.107 3.201 -1.683 595 2HB SER 80 1HB SER 80 -17.780 4.300 -2.053 596 HG SER 80 HG SER 80 -17.342 2.653 -3.812 597 H LYS 81 H LYS 81 -16.891 0.898 0.683 598 HA LYS 81 HA LYS 81 -18.534 -1.263 -0.439 599 1HB LYS 81 2HB LYS 81 -16.341 -1.402 1.638 600 2HB LYS 81 1HB LYS 81 -17.345 -2.762 1.152 601 1HG LYS 81 2HG LYS 81 -16.497 -2.521 -1.153 602 2HG LYS 81 1HG LYS 81 -15.435 -1.228 -0.598 603 1HD LYS 81 2HD LYS 81 -14.329 -2.785 0.928 604 2HD LYS 81 1HD LYS 81 -15.401 -4.081 0.386 605 1HE LYS 81 2HE LYS 81 -14.539 -3.799 -1.902 606 2HE LYS 81 1HE LYS 81 -13.435 -2.557 -1.314 607 1HZ LYS 81 1HZ LYS 81 -12.368 -4.206 0.091 608 2HZ LYS 81 2HZ LYS 81 -12.343 -4.694 -1.539 609 3HZ LYS 81 3HZ LYS 81 -13.442 -5.401 -0.462 610 H ALA 82 H ALA 82 -20.430 -0.163 0.260 611 HA ALA 82 HA ALA 82 -20.869 -0.223 3.162 612 1HB ALA 82 1HB ALA 82 -22.808 1.215 2.741 613 2HB ALA 82 2HB ALA 82 -22.470 1.164 1.010 614 3HB ALA 82 3HB ALA 82 -21.325 1.930 2.110 Start of MODEL 9 1 H LYS 5 H LYS 5 -12.014 2.086 2.733 2 HA LYS 5 HA LYS 5 -11.807 2.543 -0.072 3 1HB LYS 5 2HB LYS 5 -11.784 4.460 2.270 4 2HB LYS 5 1HB LYS 5 -11.916 4.940 0.583 5 1HG LYS 5 2HG LYS 5 -14.034 3.723 0.403 6 2HG LYS 5 1HG LYS 5 -13.897 3.247 2.097 7 1HD LYS 5 2HD LYS 5 -13.980 5.572 2.785 8 2HD LYS 5 1HD LYS 5 -14.041 6.094 1.101 9 1HE LYS 5 2HE LYS 5 -16.191 4.998 0.815 10 2HE LYS 5 1HE LYS 5 -16.115 4.377 2.463 11 1HZ LYS 5 1HZ LYS 5 -16.212 7.250 1.713 12 2HZ LYS 5 2HZ LYS 5 -16.176 6.634 3.293 13 3HZ LYS 5 3HZ LYS 5 -17.523 6.346 2.302 14 H LEU 6 H LEU 6 -9.666 2.888 2.711 15 HA LEU 6 HA LEU 6 -7.616 4.274 1.271 16 1HB LEU 6 2HB LEU 6 -7.905 3.103 3.979 17 2HB LEU 6 1HB LEU 6 -6.274 3.314 3.379 18 HG LEU 6 HG LEU 6 -6.700 5.719 3.064 19 1HD1 LEU 6 1HD1 LEU 6 -9.092 5.657 2.664 20 2HD1 LEU 6 2HD1 LEU 6 -8.715 6.736 4.007 21 3HD1 LEU 6 3HD1 LEU 6 -9.375 5.130 4.323 22 1HD2 LEU 6 1HD2 LEU 6 -5.724 4.926 5.148 23 2HD2 LEU 6 2HD2 LEU 6 -7.334 4.710 5.834 24 3HD2 LEU 6 3HD2 LEU 6 -6.757 6.326 5.428 25 H ARG 7 H ARG 7 -8.432 0.944 1.771 26 HA ARG 7 HA ARG 7 -5.877 -0.131 1.132 27 1HB ARG 7 2HB ARG 7 -8.626 -1.376 1.019 28 2HB ARG 7 1HB ARG 7 -7.126 -2.265 0.772 29 1HG ARG 7 2HG ARG 7 -6.403 -1.699 3.022 30 2HG ARG 7 1HG ARG 7 -7.883 -0.773 3.275 31 1HD ARG 7 2HD ARG 7 -9.167 -2.877 2.860 32 2HD ARG 7 1HD ARG 7 -7.631 -3.743 2.830 33 HE ARG 7 HE ARG 7 -7.613 -2.361 5.197 34 1HH1 ARG 7 1HH1 ARG 7 -9.717 -4.739 3.726 35 2HH1 ARG 7 2HH1 ARG 7 -10.261 -5.378 5.240 36 1HH2 ARG 7 1HH2 ARG 7 -8.307 -3.196 7.179 37 2HH2 ARG 7 2HH2 ARG 7 -9.445 -4.518 7.224 38 H TYR 8 H TYR 8 -8.264 1.355 -0.732 39 HA TYR 8 HA TYR 8 -7.124 0.298 -3.214 40 1HB TYR 8 2HB TYR 8 -9.509 0.382 -3.299 41 2HB TYR 8 1HB TYR 8 -9.543 2.011 -2.634 42 HD1 TYR 8 HD1 TYR 8 -9.701 3.833 -4.053 43 HD2 TYR 8 HD2 TYR 8 -8.386 0.109 -5.636 44 HE1 TYR 8 HE1 TYR 8 -9.757 4.782 -6.315 45 HE2 TYR 8 HE2 TYR 8 -8.440 1.052 -7.909 46 HH TYR 8 HH TYR 8 -9.586 2.901 -9.119 47 H ALA 9 H ALA 9 -7.666 3.314 -1.448 48 HA ALA 9 HA ALA 9 -6.519 5.060 -3.306 49 1HB ALA 9 1HB ALA 9 -6.662 5.370 -0.312 50 2HB ALA 9 2HB ALA 9 -7.934 5.800 -1.459 51 3HB ALA 9 3HB ALA 9 -6.397 6.664 -1.482 52 H ILE 10 H ILE 10 -5.031 3.475 -0.472 53 HA ILE 10 HA ILE 10 -2.509 4.705 -0.750 54 HB ILE 10 HB ILE 10 -3.173 2.038 0.511 55 1HG1 ILE 10 2HG1 ILE 10 -2.839 4.783 1.746 56 2HG1 ILE 10 1HG1 ILE 10 -4.377 3.965 1.493 57 1HG2 ILE 10 1HG2 ILE 10 -0.726 3.776 0.823 58 2HG2 ILE 10 2HG2 ILE 10 -0.795 2.224 -0.013 59 3HG2 ILE 10 3HG2 ILE 10 -1.068 2.302 1.728 60 1HD1 ILE 10 1HD1 ILE 10 -2.149 3.002 3.273 61 2HD1 ILE 10 2HD1 ILE 10 -3.708 2.212 3.041 62 3HD1 ILE 10 3HD1 ILE 10 -3.630 3.801 3.803 63 H LEU 11 H LEU 11 -3.691 1.539 -1.875 64 HA LEU 11 HA LEU 11 -1.278 0.770 -3.109 65 1HB LEU 11 2HB LEU 11 -4.115 -0.124 -3.385 66 2HB LEU 11 1HB LEU 11 -2.923 -0.677 -4.545 67 HG LEU 11 HG LEU 11 -1.582 -1.560 -2.607 68 1HD1 LEU 11 1HD1 LEU 11 -2.751 -1.935 -0.500 69 2HD1 LEU 11 2HD1 LEU 11 -4.124 -0.998 -1.094 70 3HD1 LEU 11 3HD1 LEU 11 -2.564 -0.212 -0.837 71 1HD2 LEU 11 1HD2 LEU 11 -2.954 -3.556 -2.342 72 2HD2 LEU 11 2HD2 LEU 11 -2.957 -3.003 -4.017 73 3HD2 LEU 11 3HD2 LEU 11 -4.352 -2.689 -2.983 74 H LYS 12 H LYS 12 -3.994 2.694 -4.233 75 HA LYS 12 HA LYS 12 -3.282 2.753 -6.965 76 1HB LYS 12 2HB LYS 12 -5.473 3.541 -5.906 77 2HB LYS 12 1HB LYS 12 -4.619 5.021 -5.488 78 1HG LYS 12 2HG LYS 12 -4.045 4.738 -8.149 79 2HG LYS 12 1HG LYS 12 -5.700 4.138 -8.044 80 1HD LYS 12 2HD LYS 12 -5.776 6.493 -8.486 81 2HD LYS 12 1HD LYS 12 -6.308 6.225 -6.825 82 1HE LYS 12 2HE LYS 12 -4.085 6.822 -6.014 83 2HE LYS 12 1HE LYS 12 -3.540 7.073 -7.671 84 1HZ LYS 12 1HZ LYS 12 -5.121 8.876 -7.890 85 2HZ LYS 12 2HZ LYS 12 -4.098 9.151 -6.566 86 3HZ LYS 12 3HZ LYS 12 -5.682 8.618 -6.312 87 H GLU 13 H GLU 13 -2.476 4.884 -4.235 88 HA GLU 13 HA GLU 13 -0.864 6.695 -5.662 89 1HB GLU 13 2HB GLU 13 -0.745 5.849 -2.760 90 2HB GLU 13 1HB GLU 13 0.180 7.180 -3.436 91 1HG GLU 13 2HG GLU 13 -2.824 6.997 -3.367 92 2HG GLU 13 1HG GLU 13 -1.823 7.941 -2.267 93 H ILE 14 H ILE 14 -0.100 3.656 -4.017 94 HA ILE 14 HA ILE 14 2.685 3.698 -4.486 95 HB ILE 14 HB ILE 14 0.813 1.351 -4.123 96 1HG1 ILE 14 2HG1 ILE 14 2.670 2.739 -2.177 97 2HG1 ILE 14 1HG1 ILE 14 0.922 2.934 -2.226 98 1HG2 ILE 14 1HG2 ILE 14 3.827 1.407 -3.990 99 2HG2 ILE 14 2HG2 ILE 14 2.860 0.637 -5.247 100 3HG2 ILE 14 3HG2 ILE 14 2.801 0.029 -3.593 101 1HD1 ILE 14 1HD1 ILE 14 1.590 1.429 -0.449 102 2HD1 ILE 14 2HD1 ILE 14 2.399 0.385 -1.619 103 3HD1 ILE 14 3HD1 ILE 14 0.647 0.574 -1.672 104 H PHE 15 H PHE 15 -0.039 2.529 -6.388 105 HA PHE 15 HA PHE 15 1.482 1.225 -8.393 106 1HB PHE 15 2HB PHE 15 -0.980 0.909 -7.854 107 2HB PHE 15 1HB PHE 15 -1.277 2.411 -8.718 108 HD1 PHE 15 HD1 PHE 15 -0.501 2.510 -11.179 109 HD2 PHE 15 HD2 PHE 15 -0.932 -1.100 -8.974 110 HE1 PHE 15 HE1 PHE 15 -0.659 1.248 -13.283 111 HE2 PHE 15 HE2 PHE 15 -1.084 -2.373 -11.075 112 HZ PHE 15 HZ PHE 15 -0.950 -1.196 -13.236 113 H GLU 16 H GLU 16 -0.053 4.445 -8.260 114 HA GLU 16 HA GLU 16 0.877 5.120 -10.905 115 1HB GLU 16 2HB GLU 16 -0.449 6.832 -8.797 116 2HB GLU 16 1HB GLU 16 -0.163 7.309 -10.463 117 1HG GLU 16 2HG GLU 16 -1.936 5.058 -9.545 118 2HG GLU 16 1HG GLU 16 -2.469 6.638 -10.113 119 H GLY 17 H GLY 17 1.756 5.988 -7.583 120 1HA GLY 17 2HA GLY 17 3.665 7.966 -8.526 121 2HA GLY 17 1HA GLY 17 3.305 7.576 -6.851 122 H ASN 18 H ASN 18 3.660 4.656 -7.706 123 HA ASN 18 HA ASN 18 5.256 3.053 -7.611 124 1HB ASN 18 2HB ASN 18 5.926 4.282 -9.761 125 2HB ASN 18 1HB ASN 18 7.194 5.038 -8.802 126 1HD2 ASN 18 1HD2 ASN 18 5.992 2.037 -10.119 127 2HD2 ASN 18 2HD2 ASN 18 7.468 1.149 -9.952 128 H THR 19 H THR 19 4.919 5.095 -5.498 129 HA THR 19 HA THR 19 5.718 5.678 -3.478 130 HB THR 19 HB THR 19 7.343 3.996 -2.408 131 HG1 THR 19 HG1 THR 19 7.620 3.141 -4.829 132 1HG2 THR 19 1HG2 THR 19 4.940 4.050 -1.987 133 2HG2 THR 19 2HG2 THR 19 5.541 2.393 -2.042 134 3HG2 THR 19 3HG2 THR 19 4.662 3.060 -3.418 135 HA PRO 20 HA PRO 20 7.194 5.182 -1.537 136 1HB PRO 20 2HB PRO 20 8.509 6.615 0.287 137 2HB PRO 20 1HB PRO 20 9.301 5.283 -0.563 138 1HG PRO 20 2HG PRO 20 9.526 8.229 -1.025 139 2HG PRO 20 1HG PRO 20 10.790 6.986 -1.069 140 1HD PRO 20 2HD PRO 20 9.511 8.031 -3.298 141 2HD PRO 20 1HD PRO 20 10.369 6.482 -3.247 142 H LEU 21 H LEU 21 6.168 6.368 0.418 143 HA LEU 21 HA LEU 21 5.543 9.143 0.047 144 1HB LEU 21 2HB LEU 21 3.164 8.979 -0.044 145 2HB LEU 21 1HB LEU 21 3.824 8.038 -1.361 146 HG LEU 21 HG LEU 21 2.888 6.783 1.215 147 1HD1 LEU 21 1HD1 LEU 21 1.025 7.986 0.224 148 2HD1 LEU 21 2HD1 LEU 21 0.814 6.247 0.023 149 3HD1 LEU 21 3HD1 LEU 21 1.349 7.235 -1.338 150 1HD2 LEU 21 1HD2 LEU 21 2.728 4.771 -0.165 151 2HD2 LEU 21 2HD2 LEU 21 4.374 5.407 -0.138 152 3HD2 LEU 21 3HD2 LEU 21 3.348 5.672 -1.549 153 H SER 22 H SER 22 5.625 10.053 1.964 154 HA SER 22 HA SER 22 5.691 8.485 4.362 155 1HB SER 22 2HB SER 22 5.555 11.499 4.106 156 2HB SER 22 1HB SER 22 6.158 10.570 5.481 157 HG SER 22 HG SER 22 7.552 11.477 3.476 158 H GLU 23 H GLU 23 4.305 9.059 6.274 159 HA GLU 23 HA GLU 23 1.599 8.662 5.643 160 1HB GLU 23 2HB GLU 23 1.415 9.450 8.205 161 2HB GLU 23 1HB GLU 23 1.930 7.843 7.722 162 1HG GLU 23 2HG GLU 23 3.402 8.643 9.417 163 2HG GLU 23 1HG GLU 23 4.286 8.593 7.897 164 H ASN 24 H ASN 24 3.324 11.578 6.676 165 HA ASN 24 HA ASN 24 0.968 13.208 6.637 166 1HB ASN 24 2HB ASN 24 2.414 15.059 7.091 167 2HB ASN 24 1HB ASN 24 3.038 13.690 8.003 168 1HD2 ASN 24 1HD2 ASN 24 4.953 12.660 7.292 169 2HD2 ASN 24 2HD2 ASN 24 6.079 13.504 6.268 170 H ASP 25 H ASP 25 3.042 11.981 4.277 171 HA ASP 25 HA ASP 25 2.704 14.097 2.349 172 1HB ASP 25 2HB ASP 25 4.746 12.714 2.384 173 2HB ASP 25 1HB ASP 25 3.784 11.286 2.016 174 H ILE 26 H ILE 26 1.431 10.828 2.877 175 HA ILE 26 HA ILE 26 -0.365 10.990 0.645 176 HB ILE 26 HB ILE 26 0.420 8.808 1.349 177 1HG1 ILE 26 2HG1 ILE 26 -2.544 9.237 1.767 178 2HG1 ILE 26 1HG1 ILE 26 -1.722 8.804 0.272 179 1HG2 ILE 26 1HG2 ILE 26 0.741 9.202 3.710 180 2HG2 ILE 26 2HG2 ILE 26 -0.289 7.791 3.466 181 3HG2 ILE 26 3HG2 ILE 26 -1.001 9.330 3.952 182 1HD1 ILE 26 1HD1 ILE 26 -1.935 7.062 2.716 183 2HD1 ILE 26 2HD1 ILE 26 -1.156 6.630 1.195 184 3HD1 ILE 26 3HD1 ILE 26 -2.899 6.907 1.247 185 H GLY 27 H GLY 27 -0.636 11.486 4.152 186 1HA GLY 27 2HA GLY 27 -2.147 13.348 4.769 187 2HA GLY 27 1HA GLY 27 -3.306 12.661 3.644 188 H VAL 28 H VAL 28 -1.345 10.826 5.930 189 HA VAL 28 HA VAL 28 -3.697 10.441 7.640 190 HB VAL 28 HB VAL 28 -3.258 8.029 7.837 191 1HG1 VAL 28 1HG1 VAL 28 -3.754 8.939 5.008 192 2HG1 VAL 28 2HG1 VAL 28 -4.960 8.723 6.277 193 3HG1 VAL 28 3HG1 VAL 28 -4.099 7.325 5.635 194 1HG2 VAL 28 1HG2 VAL 28 -0.899 8.007 7.275 195 2HG2 VAL 28 2HG2 VAL 28 -1.274 8.451 5.608 196 3HG2 VAL 28 3HG2 VAL 28 -1.793 6.891 6.245 197 H THR 29 H THR 29 -2.967 9.154 9.682 198 HA THR 29 HA THR 29 -0.583 10.422 10.715 199 HB THR 29 HB THR 29 -1.179 9.229 12.832 200 HG1 THR 29 HG1 THR 29 -3.313 8.256 12.853 201 1HG2 THR 29 1HG2 THR 29 -3.385 10.866 11.578 202 2HG2 THR 29 2HG2 THR 29 -1.975 11.500 12.429 203 3HG2 THR 29 3HG2 THR 29 -3.187 10.562 13.304 204 H GLU 30 H GLU 30 1.177 9.245 11.668 205 HA GLU 30 HA GLU 30 2.229 7.106 10.235 206 1HB GLU 30 2HB GLU 30 2.835 7.401 13.159 207 2HB GLU 30 1HB GLU 30 3.924 7.011 11.833 208 1HG GLU 30 2HG GLU 30 3.408 9.417 11.039 209 2HG GLU 30 1HG GLU 30 2.858 9.652 12.695 210 H ASP 31 H ASP 31 0.336 7.196 13.163 211 HA ASP 31 HA ASP 31 0.197 4.627 14.013 212 1HB ASP 31 2HB ASP 31 -1.813 6.827 13.827 213 2HB ASP 31 1HB ASP 31 -2.314 5.254 14.447 214 H GLN 32 H GLN 32 -2.069 6.031 11.649 215 HA GLN 32 HA GLN 32 -3.212 3.501 11.017 216 1HB GLN 32 2HB GLN 32 -3.397 6.123 9.523 217 2HB GLN 32 1HB GLN 32 -4.418 4.717 9.253 218 1HG GLN 32 2HG GLN 32 -5.215 4.924 11.599 219 2HG GLN 32 1HG GLN 32 -4.299 6.425 11.730 220 1HE2 GLN 32 1HE2 GLN 32 -4.892 7.107 8.915 221 2HE2 GLN 32 2HE2 GLN 32 -6.534 7.655 8.906 222 H PHE 33 H PHE 33 -0.625 5.430 9.666 223 HA PHE 33 HA PHE 33 -0.507 4.179 7.138 224 1HB PHE 33 2HB PHE 33 0.571 6.362 7.713 225 2HB PHE 33 1HB PHE 33 1.780 5.472 8.634 226 HD1 PHE 33 HD1 PHE 33 0.331 5.795 5.233 227 HD2 PHE 33 HD2 PHE 33 3.688 4.663 7.588 228 HE1 PHE 33 HE1 PHE 33 1.656 5.513 3.184 229 HE2 PHE 33 HE2 PHE 33 5.027 4.375 5.539 230 HZ PHE 33 HZ PHE 33 4.010 4.801 3.337 231 H ASP 34 H ASP 34 1.617 3.717 9.989 232 HA ASP 34 HA ASP 34 3.040 1.542 8.968 233 1HB ASP 34 2HB ASP 34 2.404 2.286 11.828 234 2HB ASP 34 1HB ASP 34 3.485 0.970 11.395 235 H ASP 35 H ASP 35 0.057 1.619 10.890 236 HA ASP 35 HA ASP 35 -0.230 -1.152 11.232 237 1HB ASP 35 2HB ASP 35 -1.567 0.393 12.525 238 2HB ASP 35 1HB ASP 35 -2.332 1.015 11.067 239 H ALA 36 H ALA 36 -1.426 0.985 8.669 240 HA ALA 36 HA ALA 36 -2.890 -0.992 7.282 241 1HB ALA 36 1HB ALA 36 -1.690 1.546 6.185 242 2HB ALA 36 2HB ALA 36 -3.256 1.419 6.985 243 3HB ALA 36 3HB ALA 36 -2.981 0.593 5.452 244 H VAL 37 H VAL 37 0.394 0.296 6.783 245 HA VAL 37 HA VAL 37 0.968 -1.140 4.446 246 HB VAL 37 HB VAL 37 2.898 -0.202 6.579 247 1HG1 VAL 37 1HG1 VAL 37 3.416 -0.987 3.711 248 2HG1 VAL 37 2HG1 VAL 37 3.906 -1.900 5.137 249 3HG1 VAL 37 3HG1 VAL 37 4.600 -0.309 4.829 250 1HG2 VAL 37 1HG2 VAL 37 2.003 1.099 4.009 251 2HG2 VAL 37 2HG2 VAL 37 3.234 1.726 5.105 252 3HG2 VAL 37 3HG2 VAL 37 1.555 1.605 5.636 253 H ASN 38 H ASN 38 1.476 -2.013 7.848 254 HA ASN 38 HA ASN 38 2.781 -4.463 7.356 255 1HB ASN 38 2HB ASN 38 1.104 -3.587 9.715 256 2HB ASN 38 1HB ASN 38 2.040 -5.078 9.669 257 1HD2 ASN 38 1HD2 ASN 38 2.315 -2.866 11.490 258 2HD2 ASN 38 2HD2 ASN 38 3.925 -2.271 11.306 259 H PHE 39 H PHE 39 -0.639 -3.674 7.836 260 HA PHE 39 HA PHE 39 -1.639 -6.295 7.642 261 1HB PHE 39 2HB PHE 39 -3.039 -4.522 8.497 262 2HB PHE 39 1HB PHE 39 -2.924 -3.637 6.980 263 HD1 PHE 39 HD1 PHE 39 -4.255 -6.738 8.518 264 HD2 PHE 39 HD2 PHE 39 -4.432 -4.034 5.235 265 HE1 PHE 39 HE1 PHE 39 -6.288 -7.862 7.705 266 HE2 PHE 39 HE2 PHE 39 -6.466 -5.149 4.419 267 HZ PHE 39 HZ PHE 39 -7.394 -7.067 5.652 268 H LEU 40 H LEU 40 -1.029 -3.821 5.203 269 HA LEU 40 HA LEU 40 -2.187 -5.092 3.004 270 1HB LEU 40 2HB LEU 40 0.137 -3.184 3.165 271 2HB LEU 40 1HB LEU 40 -0.604 -3.682 1.657 272 HG LEU 40 HG LEU 40 -2.030 -2.211 3.872 273 1HD1 LEU 40 1HD1 LEU 40 -0.347 -0.807 2.813 274 2HD1 LEU 40 2HD1 LEU 40 -1.971 -0.297 2.345 275 3HD1 LEU 40 3HD1 LEU 40 -0.982 -1.230 1.222 276 1HD2 LEU 40 1HD2 LEU 40 -2.884 -2.915 1.071 277 2HD2 LEU 40 2HD2 LEU 40 -3.801 -1.932 2.214 278 3HD2 LEU 40 3HD2 LEU 40 -3.503 -3.637 2.556 279 H LYS 41 H LYS 41 1.126 -5.323 4.279 280 HA LYS 41 HA LYS 41 1.950 -7.119 2.199 281 1HB LYS 41 2HB LYS 41 3.493 -5.609 3.545 282 2HB LYS 41 1HB LYS 41 3.311 -6.756 4.869 283 1HG LYS 41 2HG LYS 41 4.126 -8.543 3.319 284 2HG LYS 41 1HG LYS 41 4.494 -7.273 2.152 285 1HD LYS 41 2HD LYS 41 6.502 -7.811 3.344 286 2HD LYS 41 1HD LYS 41 5.957 -6.216 3.863 287 1HE LYS 41 2HE LYS 41 5.238 -7.000 5.936 288 2HE LYS 41 1HE LYS 41 5.174 -8.674 5.388 289 1HZ LYS 41 1HZ LYS 41 7.569 -8.733 5.310 290 2HZ LYS 41 2HZ LYS 41 7.071 -8.236 6.857 291 3HZ LYS 41 3HZ LYS 41 7.666 -7.102 5.750 292 H ARG 42 H ARG 42 0.813 -7.431 5.508 293 HA ARG 42 HA ARG 42 1.264 -10.177 5.848 294 1HB ARG 42 2HB ARG 42 0.820 -8.907 7.779 295 2HB ARG 42 1HB ARG 42 -0.644 -8.217 7.097 296 1HG ARG 42 2HG ARG 42 -0.847 -11.086 7.280 297 2HG ARG 42 1HG ARG 42 -0.447 -10.367 8.844 298 1HD ARG 42 2HD ARG 42 -2.348 -8.935 8.759 299 2HD ARG 42 1HD ARG 42 -2.671 -9.367 7.080 300 HE ARG 42 HE ARG 42 -2.883 -11.741 8.290 301 1HH1 ARG 42 1HH1 ARG 42 -4.146 -8.623 9.250 302 2HH1 ARG 42 2HH1 ARG 42 -5.633 -9.268 9.877 303 1HH2 ARG 42 1HH2 ARG 42 -4.831 -12.608 9.138 304 2HH2 ARG 42 2HH2 ARG 42 -6.002 -11.534 9.844 305 H GLU 43 H GLU 43 -1.504 -8.433 4.488 306 HA GLU 43 HA GLU 43 -2.999 -10.871 4.064 307 1HB GLU 43 2HB GLU 43 -3.614 -8.131 4.168 308 2HB GLU 43 1HB GLU 43 -3.966 -8.631 2.520 309 1HG GLU 43 2HG GLU 43 -5.027 -9.997 4.982 310 2HG GLU 43 1HG GLU 43 -5.901 -8.784 4.053 311 H GLY 44 H GLY 44 -0.424 -9.453 2.564 312 1HA GLY 44 2HA GLY 44 0.757 -10.217 0.743 313 2HA GLY 44 1HA GLY 44 -0.539 -11.360 0.432 314 H TYR 45 H TYR 45 -0.880 -7.837 0.609 315 HA TYR 45 HA TYR 45 -2.041 -7.875 -2.044 316 1HB TYR 45 2HB TYR 45 -1.624 -5.594 -0.095 317 2HB TYR 45 1HB TYR 45 -2.459 -5.450 -1.639 318 HD1 TYR 45 HD1 TYR 45 -4.058 -7.903 -1.707 319 HD2 TYR 45 HD2 TYR 45 -3.265 -5.260 1.526 320 HE1 TYR 45 HE1 TYR 45 -6.160 -8.591 -0.637 321 HE2 TYR 45 HE2 TYR 45 -5.364 -5.942 2.608 322 HH TYR 45 HH TYR 45 -7.049 -8.664 1.775 323 H ILE 46 H ILE 46 0.750 -6.353 -0.455 324 HA ILE 46 HA ILE 46 2.071 -6.314 -3.071 325 HB ILE 46 HB ILE 46 3.039 -4.159 -2.772 326 1HG1 ILE 46 2HG1 ILE 46 3.337 -4.220 -0.319 327 2HG1 ILE 46 1HG1 ILE 46 2.641 -2.701 -0.867 328 1HG2 ILE 46 1HG2 ILE 46 0.091 -3.998 -2.184 329 2HG2 ILE 46 2HG2 ILE 46 0.843 -4.137 -3.773 330 3HG2 ILE 46 3HG2 ILE 46 1.083 -2.679 -2.809 331 1HD1 ILE 46 1HD1 ILE 46 1.596 -3.477 1.178 332 2HD1 ILE 46 2HD1 ILE 46 1.140 -4.984 0.380 333 3HD1 ILE 46 3HD1 ILE 46 0.440 -3.456 -0.157 334 H ILE 47 H ILE 47 4.427 -6.152 -2.898 335 HA ILE 47 HA ILE 47 5.475 -7.146 -0.332 336 HB ILE 47 HB ILE 47 7.060 -8.583 -1.624 337 1HG1 ILE 47 2HG1 ILE 47 5.187 -7.975 -3.923 338 2HG1 ILE 47 1HG1 ILE 47 6.848 -7.411 -3.787 339 1HG2 ILE 47 1HG2 ILE 47 5.468 -10.388 -2.028 340 2HG2 ILE 47 2HG2 ILE 47 4.138 -9.233 -1.997 341 3HG2 ILE 47 3HG2 ILE 47 5.085 -9.527 -0.538 342 1HD1 ILE 47 1HD1 ILE 47 5.993 -10.289 -3.985 343 2HD1 ILE 47 2HD1 ILE 47 7.652 -9.692 -3.915 344 3HD1 ILE 47 3HD1 ILE 47 6.633 -9.306 -5.302 345 H GLY 48 H GLY 48 8.037 -7.099 -0.542 346 1HA GLY 48 2HA GLY 48 9.963 -5.922 -1.161 347 2HA GLY 48 1HA GLY 48 8.969 -4.842 -2.128 348 H VAL 49 H VAL 49 7.717 -5.318 0.966 349 HA VAL 49 HA VAL 49 8.330 -2.611 1.729 350 HB VAL 49 HB VAL 49 6.978 -4.752 3.387 351 1HG1 VAL 49 1HG1 VAL 49 6.007 -2.853 4.600 352 2HG1 VAL 49 2HG1 VAL 49 6.948 -1.744 3.603 353 3HG1 VAL 49 3HG1 VAL 49 7.768 -2.861 4.694 354 1HG2 VAL 49 1HG2 VAL 49 5.785 -4.449 1.287 355 2HG2 VAL 49 2HG2 VAL 49 5.746 -2.705 1.545 356 3HG2 VAL 49 3HG2 VAL 49 4.860 -3.777 2.630 357 H HIS 50 H HIS 50 10.051 -1.989 2.885 358 HA HIS 50 HA HIS 50 11.773 -4.125 3.915 359 1HB HIS 50 2HB HIS 50 12.377 -1.348 2.918 360 2HB HIS 50 1HB HIS 50 13.557 -2.297 3.816 361 HD1 HIS 50 HD1 HIS 50 12.207 -1.793 0.454 362 HD2 HIS 50 HD2 HIS 50 14.297 -4.753 2.480 363 HE1 HIS 50 HE1 HIS 50 13.150 -3.291 -1.328 364 HE2 HIS 50 HE2 HIS 50 14.219 -5.193 -0.063 365 H TYR 51 H TYR 51 12.191 -4.335 5.968 366 HA TYR 51 HA TYR 51 11.496 -2.138 7.808 367 1HB TYR 51 2HB TYR 51 11.570 -5.119 8.350 368 2HB TYR 51 1HB TYR 51 11.204 -3.878 9.537 369 HD1 TYR 51 HD1 TYR 51 8.991 -3.357 9.964 370 HD2 TYR 51 HD2 TYR 51 9.997 -5.167 6.251 371 HE1 TYR 51 HE1 TYR 51 6.602 -3.563 9.421 372 HE2 TYR 51 HE2 TYR 51 7.616 -5.368 5.698 373 HH TYR 51 HH TYR 51 5.139 -3.892 7.651 374 H SER 52 H SER 52 13.123 -1.317 8.988 375 HA SER 52 HA SER 52 15.640 -2.814 9.121 376 1HB SER 52 2HB SER 52 16.414 -0.512 10.122 377 2HB SER 52 1HB SER 52 16.186 -0.678 8.382 378 HG SER 52 HG SER 52 14.089 0.204 10.078 379 H ASP 53 H ASP 53 13.423 -3.669 10.552 380 HA ASP 53 HA ASP 53 12.537 -4.158 12.568 381 1HB ASP 53 2HB ASP 53 14.775 -5.272 12.695 382 2HB ASP 53 1HB ASP 53 15.366 -3.868 13.581 383 H ASP 54 H ASP 54 11.788 -1.805 12.145 384 HA ASP 54 HA ASP 54 11.765 -0.536 14.724 385 1HB ASP 54 2HB ASP 54 12.467 1.672 13.966 386 2HB ASP 54 1HB ASP 54 13.754 0.510 13.671 387 H ARG 55 H ARG 55 10.932 -0.221 11.306 388 HA ARG 55 HA ARG 55 8.163 -0.503 11.695 389 1HB ARG 55 2HB ARG 55 7.381 1.747 11.201 390 2HB ARG 55 1HB ARG 55 8.382 1.787 12.645 391 1HG ARG 55 2HG ARG 55 10.283 2.508 11.162 392 2HG ARG 55 1HG ARG 55 9.084 2.725 9.884 393 1HD ARG 55 2HD ARG 55 9.052 4.073 12.581 394 2HD ARG 55 1HD ARG 55 9.562 4.819 11.070 395 HE ARG 55 HE ARG 55 6.862 3.766 11.021 396 1HH1 ARG 55 1HH1 ARG 55 8.911 6.513 11.775 397 2HH1 ARG 55 2HH1 ARG 55 7.629 7.678 11.637 398 1HH2 ARG 55 1HH2 ARG 55 5.151 5.305 10.864 399 2HH2 ARG 55 2HH2 ARG 55 5.508 6.998 11.112 400 HA PRO 56 HA PRO 56 8.496 -1.182 7.310 401 1HB PRO 56 2HB PRO 56 6.151 -0.167 6.332 402 2HB PRO 56 1HB PRO 56 6.271 -1.716 7.177 403 1HG PRO 56 2HG PRO 56 5.414 0.954 8.224 404 2HG PRO 56 1HG PRO 56 4.708 -0.644 8.525 405 1HD PRO 56 2HD PRO 56 6.324 0.567 10.310 406 2HD PRO 56 1HD PRO 56 6.312 -1.198 10.091 407 H HIS 57 H HIS 57 9.777 -0.116 5.934 408 HA HIS 57 HA HIS 57 9.295 2.771 5.557 409 1HB HIS 57 2HB HIS 57 11.905 1.249 5.380 410 2HB HIS 57 1HB HIS 57 11.709 2.930 4.899 411 HD1 HIS 57 HD1 HIS 57 11.176 4.653 6.860 412 HD2 HIS 57 HD2 HIS 57 12.308 0.829 8.052 413 HE1 HIS 57 HE1 HIS 57 11.718 4.834 9.309 414 HE2 HIS 57 HE2 HIS 57 12.399 2.513 10.020 415 H LEU 58 H LEU 58 8.844 3.461 3.565 416 HA LEU 58 HA LEU 58 8.906 1.488 1.399 417 1HB LEU 58 2HB LEU 58 7.397 4.088 1.655 418 2HB LEU 58 1HB LEU 58 7.354 3.048 0.245 419 HG LEU 58 HG LEU 58 6.366 2.323 3.005 420 1HD1 LEU 58 1HD1 LEU 58 4.155 2.343 1.959 421 2HD1 LEU 58 2HD1 LEU 58 4.878 2.879 0.441 422 3HD1 LEU 58 3HD1 LEU 58 4.929 3.926 1.860 423 1HD2 LEU 58 1HD2 LEU 58 5.547 0.276 1.975 424 2HD2 LEU 58 2HD2 LEU 58 7.300 0.394 1.812 425 3HD2 LEU 58 3HD2 LEU 58 6.259 0.749 0.433 426 H TYR 59 H TYR 59 9.974 1.823 -0.456 427 HA TYR 59 HA TYR 59 11.333 4.376 -0.917 428 1HB TYR 59 2HB TYR 59 12.687 1.675 -1.181 429 2HB TYR 59 1HB TYR 59 13.406 3.235 -1.554 430 HD1 TYR 59 HD1 TYR 59 12.740 0.793 1.006 431 HD2 TYR 59 HD2 TYR 59 13.852 4.845 0.336 432 HE1 TYR 59 HE1 TYR 59 13.605 0.929 3.303 433 HE2 TYR 59 HE2 TYR 59 14.720 4.994 2.632 434 HH TYR 59 HH TYR 59 15.236 2.258 4.581 435 H LYS 60 H LYS 60 12.343 4.198 -3.286 436 HA LYS 60 HA LYS 60 10.233 3.271 -5.025 437 1HB LYS 60 2HB LYS 60 12.950 4.448 -5.649 438 2HB LYS 60 1HB LYS 60 11.732 4.068 -6.857 439 1HG LYS 60 2HG LYS 60 10.197 5.653 -5.743 440 2HG LYS 60 1HG LYS 60 11.507 6.093 -4.646 441 1HD LYS 60 2HD LYS 60 12.853 6.825 -6.557 442 2HD LYS 60 1HD LYS 60 11.541 6.380 -7.650 443 1HE LYS 60 2HE LYS 60 11.393 8.454 -5.465 444 2HE LYS 60 1HE LYS 60 11.569 8.785 -7.188 445 1HZ LYS 60 1HZ LYS 60 9.416 7.823 -7.596 446 2HZ LYS 60 2HZ LYS 60 9.270 9.005 -6.389 447 3HZ LYS 60 3HZ LYS 60 9.257 7.362 -5.972 448 H LEU 61 H LEU 61 13.072 2.011 -3.674 449 HA LEU 61 HA LEU 61 13.217 -0.153 -5.644 450 1HB LEU 61 2HB LEU 61 15.103 0.582 -3.396 451 2HB LEU 61 1HB LEU 61 15.313 -0.794 -4.456 452 HG LEU 61 HG LEU 61 16.786 0.842 -5.258 453 1HD1 LEU 61 1HD1 LEU 61 14.299 0.983 -6.944 454 2HD1 LEU 61 2HD1 LEU 61 15.572 -0.233 -7.041 455 3HD1 LEU 61 3HD1 LEU 61 15.918 1.442 -7.468 456 1HD2 LEU 61 1HD2 LEU 61 16.163 3.153 -5.735 457 2HD2 LEU 61 2HD2 LEU 61 15.918 2.756 -4.035 458 3HD2 LEU 61 3HD2 LEU 61 14.536 2.844 -5.129 459 H GLY 62 H GLY 62 11.678 -1.637 -5.148 460 1HA GLY 62 2HA GLY 62 11.881 -3.646 -3.498 461 2HA GLY 62 1HA GLY 62 11.389 -2.427 -2.337 462 HA PRO 63 HA PRO 63 7.100 -2.819 -2.796 463 1HB PRO 63 2HB PRO 63 6.939 -0.359 -4.494 464 2HB PRO 63 1HB PRO 63 5.969 -0.824 -3.088 465 1HG PRO 63 2HG PRO 63 7.910 0.948 -2.820 466 2HG PRO 63 1HG PRO 63 7.671 -0.304 -1.586 467 1HD PRO 63 2HD PRO 63 9.757 -0.107 -3.709 468 2HD PRO 63 1HD PRO 63 9.884 -0.742 -2.057 469 H GLU 64 H GLU 64 6.371 -4.430 -3.928 470 HA GLU 64 HA GLU 64 5.876 -4.047 -6.803 471 1HB GLU 64 2HB GLU 64 6.636 -6.650 -5.456 472 2HB GLU 64 1HB GLU 64 6.215 -6.457 -7.151 473 1HG GLU 64 2HG GLU 64 8.183 -5.040 -7.469 474 2HG GLU 64 1HG GLU 64 8.612 -5.270 -5.773 475 H LEU 65 H LEU 65 3.837 -4.721 -7.488 476 HA LEU 65 HA LEU 65 1.998 -5.359 -5.300 477 1HB LEU 65 2HB LEU 65 1.481 -4.377 -8.104 478 2HB LEU 65 1HB LEU 65 0.210 -4.865 -6.999 479 HG LEU 65 HG LEU 65 1.259 -3.080 -5.412 480 1HD1 LEU 65 1HD1 LEU 65 2.225 -2.104 -8.096 481 2HD1 LEU 65 2HD1 LEU 65 3.245 -2.628 -6.755 482 3HD1 LEU 65 3HD1 LEU 65 2.246 -1.182 -6.594 483 1HD2 LEU 65 1HD2 LEU 65 -0.969 -2.909 -6.267 484 2HD2 LEU 65 2HD2 LEU 65 -0.371 -2.426 -7.852 485 3HD2 LEU 65 3HD2 LEU 65 -0.172 -1.346 -6.471 486 H THR 66 H THR 66 0.724 -7.166 -5.286 487 HA THR 66 HA THR 66 1.646 -9.304 -7.070 488 HB THR 66 HB THR 66 0.729 -10.867 -5.426 489 HG1 THR 66 HG1 THR 66 0.109 -8.617 -3.794 490 1HG2 THR 66 1HG2 THR 66 2.408 -8.726 -4.112 491 2HG2 THR 66 2HG2 THR 66 3.024 -10.059 -5.091 492 3HG2 THR 66 3HG2 THR 66 2.227 -10.389 -3.553 493 H GLU 67 H GLU 67 -0.081 -11.001 -7.512 494 HA GLU 67 HA GLU 67 -2.202 -9.903 -8.996 495 1HB GLU 67 2HB GLU 67 -1.180 -12.117 -9.408 496 2HB GLU 67 1HB GLU 67 -1.865 -12.713 -7.906 497 1HG GLU 67 2HG GLU 67 -4.123 -12.298 -8.828 498 2HG GLU 67 1HG GLU 67 -3.371 -11.838 -10.355 499 H LYS 68 H LYS 68 -1.976 -11.078 -5.706 500 HA LYS 68 HA LYS 68 -4.696 -11.173 -5.035 501 1HB LYS 68 2HB LYS 68 -2.988 -12.127 -3.597 502 2HB LYS 68 1HB LYS 68 -2.268 -10.545 -3.349 503 1HG LYS 68 2HG LYS 68 -3.485 -11.107 -1.392 504 2HG LYS 68 1HG LYS 68 -4.374 -9.836 -2.228 505 1HD LYS 68 2HD LYS 68 -5.899 -11.511 -3.153 506 2HD LYS 68 1HD LYS 68 -5.000 -12.787 -2.329 507 1HE LYS 68 2HE LYS 68 -6.444 -10.502 -0.986 508 2HE LYS 68 1HE LYS 68 -7.032 -12.159 -1.100 509 1HZ LYS 68 1HZ LYS 68 -5.245 -12.915 0.257 510 2HZ LYS 68 2HZ LYS 68 -5.954 -11.593 1.051 511 3HZ LYS 68 3HZ LYS 68 -4.487 -11.402 0.229 512 H GLY 69 H GLY 69 -2.325 -8.542 -4.605 513 1HA GLY 69 2HA GLY 69 -4.250 -6.662 -3.672 514 2HA GLY 69 1HA GLY 69 -2.629 -6.289 -4.239 515 H GLU 70 H GLU 70 -2.980 -7.467 -6.837 516 HA GLU 70 HA GLU 70 -3.948 -5.242 -8.249 517 1HB GLU 70 2HB GLU 70 -2.241 -6.924 -9.023 518 2HB GLU 70 1HB GLU 70 -3.562 -8.045 -9.310 519 1HG GLU 70 2HG GLU 70 -3.964 -5.468 -10.576 520 2HG GLU 70 1HG GLU 70 -2.500 -6.279 -11.121 521 H ASN 71 H ASN 71 -5.378 -8.442 -7.641 522 HA ASN 71 HA ASN 71 -7.770 -7.835 -9.081 523 1HB ASN 71 2HB ASN 71 -6.906 -10.093 -7.320 524 2HB ASN 71 1HB ASN 71 -8.609 -9.924 -7.735 525 1HD2 ASN 71 1HD2 ASN 71 -5.414 -10.552 -8.945 526 2HD2 ASN 71 2HD2 ASN 71 -5.901 -11.140 -10.500 527 H TYR 72 H TYR 72 -6.700 -7.218 -5.862 528 HA TYR 72 HA TYR 72 -9.273 -6.746 -4.736 529 1HB TYR 72 2HB TYR 72 -7.217 -7.035 -3.353 530 2HB TYR 72 1HB TYR 72 -6.623 -5.490 -3.956 531 HD1 TYR 72 HD1 TYR 72 -9.197 -7.102 -1.858 532 HD2 TYR 72 HD2 TYR 72 -7.451 -3.419 -3.080 533 HE1 TYR 72 HE1 TYR 72 -10.404 -5.937 -0.059 534 HE2 TYR 72 HE2 TYR 72 -8.649 -2.249 -1.282 535 HH TYR 72 HH TYR 72 -10.751 -2.612 0.053 536 H LEU 73 H LEU 73 -6.827 -4.680 -6.248 537 HA LEU 73 HA LEU 73 -8.207 -2.248 -6.103 538 1HB LEU 73 2HB LEU 73 -6.227 -3.227 -8.161 539 2HB LEU 73 1HB LEU 73 -6.762 -1.564 -8.013 540 HG LEU 73 HG LEU 73 -5.267 -3.092 -5.882 541 1HD1 LEU 73 1HD1 LEU 73 -3.384 -1.651 -6.473 542 2HD1 LEU 73 2HD1 LEU 73 -4.327 -0.959 -7.794 543 3HD1 LEU 73 3HD1 LEU 73 -3.872 -2.663 -7.832 544 1HD2 LEU 73 1HD2 LEU 73 -6.025 -0.179 -6.075 545 2HD2 LEU 73 2HD2 LEU 73 -5.052 -0.919 -4.801 546 3HD2 LEU 73 3HD2 LEU 73 -6.749 -1.364 -4.987 547 H LYS 74 H LYS 74 -8.438 -4.914 -8.348 548 HA LYS 74 HA LYS 74 -9.780 -3.686 -10.445 549 1HB LYS 74 2HB LYS 74 -8.878 -5.960 -10.562 550 2HB LYS 74 1HB LYS 74 -10.101 -6.513 -9.428 551 1HG LYS 74 2HG LYS 74 -11.851 -5.960 -11.041 552 2HG LYS 74 1HG LYS 74 -10.625 -5.394 -12.176 553 1HD LYS 74 2HD LYS 74 -11.332 -7.649 -12.743 554 2HD LYS 74 1HD LYS 74 -9.646 -7.641 -12.223 555 1HE LYS 74 2HE LYS 74 -10.296 -8.431 -10.023 556 2HE LYS 74 1HE LYS 74 -11.997 -8.369 -10.478 557 1HZ LYS 74 1HZ LYS 74 -11.031 -10.614 -10.578 558 2HZ LYS 74 2HZ LYS 74 -9.967 -10.094 -11.798 559 3HZ LYS 74 3HZ LYS 74 -11.636 -10.096 -12.074 560 H GLU 75 H GLU 75 -11.248 -5.440 -7.683 561 HA GLU 75 HA GLU 75 -13.860 -4.501 -8.507 562 1HB GLU 75 2HB GLU 75 -14.688 -5.839 -6.570 563 2HB GLU 75 1HB GLU 75 -13.787 -6.756 -7.767 564 1HG GLU 75 2HG GLU 75 -11.809 -6.678 -6.315 565 2HG GLU 75 1HG GLU 75 -12.753 -5.804 -5.107 566 H ASN 76 H ASN 76 -11.533 -3.770 -5.968 567 HA ASN 76 HA ASN 76 -13.358 -2.013 -4.559 568 1HB ASN 76 2HB ASN 76 -11.146 -3.298 -3.742 569 2HB ASN 76 1HB ASN 76 -10.411 -1.764 -4.193 570 1HD2 ASN 76 1HD2 ASN 76 -11.075 0.136 -3.081 571 2HD2 ASN 76 2HD2 ASN 76 -11.782 0.032 -1.506 572 H GLY 77 H GLY 77 -11.968 -1.836 -7.474 573 1HA GLY 77 2HA GLY 77 -10.960 0.788 -7.613 574 2HA GLY 77 1HA GLY 77 -11.587 -0.144 -8.961 575 H THR 78 H THR 78 -14.207 -0.383 -7.374 576 HA THR 78 HA THR 78 -15.473 1.923 -8.428 577 HB THR 78 HB THR 78 -16.772 -0.103 -8.141 578 HG1 THR 78 HG1 THR 78 -18.408 0.981 -6.532 579 1HG2 THR 78 1HG2 THR 78 -17.431 -0.930 -5.928 580 2HG2 THR 78 2HG2 THR 78 -16.373 0.259 -5.170 581 3HG2 THR 78 3HG2 THR 78 -15.685 -1.027 -6.159 582 H TRP 79 H TRP 79 -14.583 0.957 -5.122 583 HA TRP 79 HA TRP 79 -13.974 2.130 -3.297 584 1HB TRP 79 2HB TRP 79 -12.387 3.162 -4.811 585 2HB TRP 79 1HB TRP 79 -13.590 4.338 -5.318 586 HD1 TRP 79 HD1 TRP 79 -13.765 3.964 -1.633 587 HE1 TRP 79 HE1 TRP 79 -12.534 5.904 -0.478 588 HE3 TRP 79 HE3 TRP 79 -11.259 5.873 -5.665 589 HZ2 TRP 79 HZ2 TRP 79 -10.735 7.952 -1.165 590 HZ3 TRP 79 HZ3 TRP 79 -9.800 7.824 -5.326 591 HH2 TRP 79 HH2 TRP 79 -9.544 8.843 -3.121 592 H SER 80 H SER 80 -15.566 4.733 -5.059 593 HA SER 80 HA SER 80 -17.935 4.557 -3.429 594 1HB SER 80 2HB SER 80 -16.199 7.043 -3.292 595 2HB SER 80 1HB SER 80 -17.803 6.869 -2.580 596 HG SER 80 HG SER 80 -16.265 4.835 -1.772 597 H LYS 81 H LYS 81 -16.107 6.775 -5.513 598 HA LYS 81 HA LYS 81 -16.496 7.624 -7.570 599 1HB LYS 81 2HB LYS 81 -17.150 5.304 -8.160 600 2HB LYS 81 1HB LYS 81 -18.810 5.685 -7.723 601 1HG LYS 81 2HG LYS 81 -18.902 7.354 -9.496 602 2HG LYS 81 1HG LYS 81 -17.227 6.998 -9.926 603 1HD LYS 81 2HD LYS 81 -19.579 5.113 -10.083 604 2HD LYS 81 1HD LYS 81 -18.710 5.835 -11.439 605 1HE LYS 81 2HE LYS 81 -16.654 4.663 -10.667 606 2HE LYS 81 1HE LYS 81 -17.627 3.859 -9.435 607 1HZ LYS 81 1HZ LYS 81 -18.991 2.921 -11.237 608 2HZ LYS 81 2HZ LYS 81 -17.369 2.433 -11.326 609 3HZ LYS 81 3HZ LYS 81 -17.951 3.627 -12.378 610 H ALA 82 H ALA 82 -19.833 6.893 -6.651 611 HA ALA 82 HA ALA 82 -20.675 9.446 -5.901 612 1HB ALA 82 1HB ALA 82 -21.829 10.203 -7.928 613 2HB ALA 82 2HB ALA 82 -21.153 8.845 -8.828 614 3HB ALA 82 3HB ALA 82 -20.089 10.105 -8.198 Start of MODEL 10 1 H LYS 5 H LYS 5 -10.202 1.878 6.368 2 HA LYS 5 HA LYS 5 -10.823 0.461 3.898 3 1HB LYS 5 2HB LYS 5 -11.530 3.265 4.782 4 2HB LYS 5 1HB LYS 5 -12.099 2.486 3.313 5 1HG LYS 5 2HG LYS 5 -13.187 0.754 4.728 6 2HG LYS 5 1HG LYS 5 -12.734 1.705 6.145 7 1HD LYS 5 2HD LYS 5 -13.985 3.617 5.235 8 2HD LYS 5 1HD LYS 5 -14.469 2.625 3.859 9 1HE LYS 5 2HE LYS 5 -15.563 1.059 5.427 10 2HE LYS 5 1HE LYS 5 -15.152 2.144 6.755 11 1HZ LYS 5 1HZ LYS 5 -17.399 2.540 6.043 12 2HZ LYS 5 2HZ LYS 5 -16.900 2.773 4.439 13 3HZ LYS 5 3HZ LYS 5 -16.448 3.887 5.638 14 H LEU 6 H LEU 6 -9.095 3.386 4.934 15 HA LEU 6 HA LEU 6 -8.481 4.369 2.412 16 1HB LEU 6 2HB LEU 6 -7.027 4.729 5.026 17 2HB LEU 6 1HB LEU 6 -6.622 5.612 3.569 18 HG LEU 6 HG LEU 6 -7.938 7.073 4.852 19 1HD1 LEU 6 1HD1 LEU 6 -8.556 7.047 2.502 20 2HD1 LEU 6 2HD1 LEU 6 -9.952 7.415 3.515 21 3HD1 LEU 6 3HD1 LEU 6 -9.768 5.806 2.820 22 1HD2 LEU 6 1HD2 LEU 6 -10.126 6.490 5.785 23 2HD2 LEU 6 2HD2 LEU 6 -8.837 5.485 6.448 24 3HD2 LEU 6 3HD2 LEU 6 -9.921 4.834 5.217 25 H ARG 7 H ARG 7 -6.768 2.007 4.353 26 HA ARG 7 HA ARG 7 -4.313 1.847 3.108 27 1HB ARG 7 2HB ARG 7 -4.291 -0.528 3.761 28 2HB ARG 7 1HB ARG 7 -4.904 0.494 5.056 29 1HG ARG 7 2HG ARG 7 -7.109 -0.209 4.727 30 2HG ARG 7 1HG ARG 7 -6.750 -0.874 3.136 31 1HD ARG 7 2HD ARG 7 -5.388 -2.619 4.189 32 2HD ARG 7 1HD ARG 7 -5.788 -1.961 5.778 33 HE ARG 7 HE ARG 7 -8.181 -2.422 5.101 34 1HH1 ARG 7 1HH1 ARG 7 -5.498 -4.327 3.927 35 2HH1 ARG 7 2HH1 ARG 7 -6.444 -5.767 3.681 36 1HH2 ARG 7 1HH2 ARG 7 -9.450 -4.290 4.718 37 2HH2 ARG 7 2HH2 ARG 7 -8.703 -5.730 4.089 38 H TYR 8 H TYR 8 -7.419 0.744 1.975 39 HA TYR 8 HA TYR 8 -6.437 -1.039 -0.011 40 1HB TYR 8 2HB TYR 8 -8.623 -1.402 0.912 41 2HB TYR 8 1HB TYR 8 -9.143 0.218 0.458 42 HD1 TYR 8 HD1 TYR 8 -10.793 0.062 -1.126 43 HD2 TYR 8 HD2 TYR 8 -7.404 -2.483 -1.434 44 HE1 TYR 8 HE1 TYR 8 -11.632 -0.785 -3.268 45 HE2 TYR 8 HE2 TYR 8 -8.239 -3.345 -3.573 46 HH TYR 8 HH TYR 8 -10.149 -3.538 -4.838 47 H ALA 9 H ALA 9 -7.651 2.288 -0.058 48 HA ALA 9 HA ALA 9 -7.412 2.544 -2.889 49 1HB ALA 9 1HB ALA 9 -7.713 4.649 -0.752 50 2HB ALA 9 2HB ALA 9 -9.009 3.894 -1.688 51 3HB ALA 9 3HB ALA 9 -7.830 4.937 -2.489 52 H ILE 10 H ILE 10 -5.291 2.994 -0.183 53 HA ILE 10 HA ILE 10 -3.279 4.558 -1.330 54 HB ILE 10 HB ILE 10 -3.050 2.333 0.702 55 1HG1 ILE 10 2HG1 ILE 10 -3.097 5.336 1.042 56 2HG1 ILE 10 1HG1 ILE 10 -4.451 4.259 1.366 57 1HG2 ILE 10 1HG2 ILE 10 -0.888 2.684 -0.343 58 2HG2 ILE 10 2HG2 ILE 10 -0.882 3.315 1.304 59 3HG2 ILE 10 3HG2 ILE 10 -1.015 4.420 -0.062 60 1HD1 ILE 10 1HD1 ILE 10 -3.309 4.913 3.412 61 2HD1 ILE 10 2HD1 ILE 10 -1.804 4.228 2.797 62 3HD1 ILE 10 3HD1 ILE 10 -3.179 3.178 3.136 63 H LEU 11 H LEU 11 -4.026 1.147 -1.668 64 HA LEU 11 HA LEU 11 -1.693 0.150 -2.760 65 1HB LEU 11 2HB LEU 11 -4.547 -0.530 -3.462 66 2HB LEU 11 1HB LEU 11 -3.161 -1.477 -3.963 67 HG LEU 11 HG LEU 11 -3.968 -0.990 -1.097 68 1HD1 LEU 11 1HD1 LEU 11 -5.601 -2.373 -2.258 69 2HD1 LEU 11 2HD1 LEU 11 -4.664 -3.334 -1.115 70 3HD1 LEU 11 3HD1 LEU 11 -4.311 -3.426 -2.840 71 1HD2 LEU 11 1HD2 LEU 11 -2.344 -2.757 -0.605 72 2HD2 LEU 11 2HD2 LEU 11 -1.580 -1.353 -1.349 73 3HD2 LEU 11 3HD2 LEU 11 -1.885 -2.801 -2.307 74 H LYS 12 H LYS 12 -4.289 1.943 -4.371 75 HA LYS 12 HA LYS 12 -3.198 1.625 -6.986 76 1HB LYS 12 2HB LYS 12 -5.594 2.227 -6.531 77 2HB LYS 12 1HB LYS 12 -5.041 3.827 -6.050 78 1HG LYS 12 2HG LYS 12 -4.078 4.151 -8.288 79 2HG LYS 12 1HG LYS 12 -4.697 2.571 -8.765 80 1HD LYS 12 2HD LYS 12 -6.245 4.168 -9.579 81 2HD LYS 12 1HD LYS 12 -6.994 3.429 -8.163 82 1HE LYS 12 2HE LYS 12 -7.314 5.851 -8.185 83 2HE LYS 12 1HE LYS 12 -6.346 5.339 -6.804 84 1HZ LYS 12 1HZ LYS 12 -4.506 6.361 -7.585 85 2HZ LYS 12 2HZ LYS 12 -5.652 7.354 -8.341 86 3HZ LYS 12 3HZ LYS 12 -4.897 6.115 -9.221 87 H GLU 13 H GLU 13 -3.028 4.167 -4.526 88 HA GLU 13 HA GLU 13 -1.597 6.033 -6.074 89 1HB GLU 13 2HB GLU 13 -1.510 5.700 -3.069 90 2HB GLU 13 1HB GLU 13 -1.113 7.154 -3.975 91 1HG GLU 13 2HG GLU 13 -3.824 5.862 -3.762 92 2HG GLU 13 1HG GLU 13 -3.304 7.349 -2.972 93 H ILE 14 H ILE 14 -0.571 3.359 -4.038 94 HA ILE 14 HA ILE 14 2.201 3.676 -4.139 95 HB ILE 14 HB ILE 14 0.519 1.162 -4.149 96 1HG1 ILE 14 2HG1 ILE 14 2.087 2.503 -1.935 97 2HG1 ILE 14 1HG1 ILE 14 0.346 2.630 -2.158 98 1HG2 ILE 14 1HG2 ILE 14 2.483 -0.111 -3.579 99 2HG2 ILE 14 2HG2 ILE 14 3.479 1.342 -3.615 100 3HG2 ILE 14 3HG2 ILE 14 2.763 0.728 -5.105 101 1HD1 ILE 14 1HD1 ILE 14 0.130 0.222 -1.802 102 2HD1 ILE 14 2HD1 ILE 14 0.896 1.024 -0.427 103 3HD1 ILE 14 3HD1 ILE 14 1.875 0.105 -1.572 104 H PHE 15 H PHE 15 -0.007 2.093 -6.394 105 HA PHE 15 HA PHE 15 1.944 1.295 -8.287 106 1HB PHE 15 2HB PHE 15 -0.328 0.310 -8.080 107 2HB PHE 15 1HB PHE 15 -1.016 1.812 -8.684 108 HD1 PHE 15 HD1 PHE 15 1.032 -1.113 -9.559 109 HD2 PHE 15 HD2 PHE 15 -1.056 2.303 -10.995 110 HE1 PHE 15 HE1 PHE 15 1.245 -1.955 -11.863 111 HE2 PHE 15 HE2 PHE 15 -0.844 1.473 -13.299 112 HZ PHE 15 HZ PHE 15 0.309 -0.659 -13.736 113 H GLU 16 H GLU 16 -0.170 4.135 -8.072 114 HA GLU 16 HA GLU 16 0.382 5.230 -10.601 115 1HB GLU 16 2HB GLU 16 -0.334 6.746 -8.081 116 2HB GLU 16 1HB GLU 16 -0.569 7.294 -9.734 117 1HG GLU 16 2HG GLU 16 -1.899 4.817 -8.714 118 2HG GLU 16 1HG GLU 16 -2.581 6.412 -8.422 119 H GLY 17 H GLY 17 1.981 5.654 -7.470 120 1HA GLY 17 2HA GLY 17 3.719 7.708 -8.614 121 2HA GLY 17 1HA GLY 17 3.580 7.303 -6.912 122 H ASN 18 H ASN 18 3.788 4.375 -8.053 123 HA ASN 18 HA ASN 18 5.395 2.777 -8.229 124 1HB ASN 18 2HB ASN 18 6.055 4.267 -10.213 125 2HB ASN 18 1HB ASN 18 7.303 4.929 -9.166 126 1HD2 ASN 18 1HD2 ASN 18 9.075 3.680 -8.638 127 2HD2 ASN 18 2HD2 ASN 18 9.451 2.206 -9.456 128 H THR 19 H THR 19 5.039 4.459 -5.861 129 HA THR 19 HA THR 19 5.829 4.856 -3.800 130 HB THR 19 HB THR 19 7.612 3.282 -2.898 131 HG1 THR 19 HG1 THR 19 7.943 2.736 -5.457 132 1HG2 THR 19 1HG2 THR 19 6.064 1.407 -2.789 133 2HG2 THR 19 2HG2 THR 19 5.139 2.086 -4.127 134 3HG2 THR 19 3HG2 THR 19 5.211 2.939 -2.585 135 HA PRO 20 HA PRO 20 6.920 4.830 -1.939 136 1HB PRO 20 2HB PRO 20 7.886 6.454 -0.071 137 2HB PRO 20 1HB PRO 20 8.896 5.179 -0.763 138 1HG PRO 20 2HG PRO 20 8.922 8.111 -1.284 139 2HG PRO 20 1HG PRO 20 10.272 6.964 -1.236 140 1HD PRO 20 2HD PRO 20 8.950 7.909 -3.540 141 2HD PRO 20 1HD PRO 20 10.099 6.560 -3.459 142 H LEU 21 H LEU 21 5.904 6.309 -0.003 143 HA LEU 21 HA LEU 21 4.889 8.853 -0.880 144 1HB LEU 21 2HB LEU 21 2.533 8.332 -0.615 145 2HB LEU 21 1HB LEU 21 3.232 7.340 -1.875 146 HG LEU 21 HG LEU 21 2.857 6.279 0.916 147 1HD1 LEU 21 1HD1 LEU 21 0.688 7.107 0.152 148 2HD1 LEU 21 2HD1 LEU 21 0.721 5.344 0.177 149 3HD1 LEU 21 3HD1 LEU 21 0.867 6.206 -1.354 150 1HD2 LEU 21 1HD2 LEU 21 4.306 4.996 -0.572 151 2HD2 LEU 21 2HD2 LEU 21 3.038 4.963 -1.797 152 3HD2 LEU 21 3HD2 LEU 21 2.802 4.126 -0.264 153 H SER 22 H SER 22 4.868 10.164 0.818 154 HA SER 22 HA SER 22 5.432 9.035 3.420 155 1HB SER 22 2HB SER 22 5.209 11.941 2.592 156 2HB SER 22 1HB SER 22 5.899 11.330 4.097 157 HG SER 22 HG SER 22 6.889 11.039 1.455 158 H GLU 23 H GLU 23 4.380 10.177 5.329 159 HA GLU 23 HA GLU 23 1.650 9.479 5.330 160 1HB GLU 23 2HB GLU 23 2.030 11.024 7.601 161 2HB GLU 23 1HB GLU 23 2.209 9.283 7.485 162 1HG GLU 23 2HG GLU 23 4.160 10.059 8.525 163 2HG GLU 23 1HG GLU 23 4.621 9.693 6.866 164 H ASN 24 H ASN 24 3.304 12.613 5.239 165 HA ASN 24 HA ASN 24 0.951 14.193 5.406 166 1HB ASN 24 2HB ASN 24 3.724 14.769 4.385 167 2HB ASN 24 1HB ASN 24 2.442 15.973 4.307 168 1HD2 ASN 24 1HD2 ASN 24 4.557 14.170 6.369 169 2HD2 ASN 24 2HD2 ASN 24 4.274 15.093 7.808 170 H ASP 25 H ASP 25 2.430 12.475 2.801 171 HA ASP 25 HA ASP 25 1.148 13.955 0.703 172 1HB ASP 25 2HB ASP 25 2.568 11.289 0.739 173 2HB ASP 25 1HB ASP 25 1.845 11.967 -0.717 174 H ILE 26 H ILE 26 0.576 10.840 2.306 175 HA ILE 26 HA ILE 26 -1.780 10.369 0.722 176 HB ILE 26 HB ILE 26 -0.297 8.530 1.468 177 1HG1 ILE 26 2HG1 ILE 26 -2.776 8.241 0.891 178 2HG1 ILE 26 1HG1 ILE 26 -1.982 6.929 1.747 179 1HG2 ILE 26 1HG2 ILE 26 0.280 9.283 3.671 180 2HG2 ILE 26 2HG2 ILE 26 -0.460 7.684 3.768 181 3HG2 ILE 26 3HG2 ILE 26 -1.391 9.117 4.205 182 1HD1 ILE 26 1HD1 ILE 26 -4.236 7.360 2.576 183 2HD1 ILE 26 2HD1 ILE 26 -3.766 9.003 3.008 184 3HD1 ILE 26 3HD1 ILE 26 -3.019 7.628 3.822 185 H GLY 27 H GLY 27 -1.083 11.414 4.046 186 1HA GLY 27 2HA GLY 27 -2.609 13.168 4.845 187 2HA GLY 27 1HA GLY 27 -3.929 12.199 4.219 188 H VAL 28 H VAL 28 -2.192 9.840 5.394 189 HA VAL 28 HA VAL 28 -3.521 10.005 8.003 190 HB VAL 28 HB VAL 28 -3.283 7.564 8.137 191 1HG1 VAL 28 1HG1 VAL 28 -4.879 6.971 6.388 192 2HG1 VAL 28 2HG1 VAL 28 -4.539 8.487 5.553 193 3HG1 VAL 28 3HG1 VAL 28 -5.301 8.507 7.146 194 1HG2 VAL 28 1HG2 VAL 28 -2.551 6.294 6.143 195 2HG2 VAL 28 2HG2 VAL 28 -1.253 7.242 6.869 196 3HG2 VAL 28 3HG2 VAL 28 -2.043 7.811 5.398 197 H THR 29 H THR 29 -2.453 9.632 9.905 198 HA THR 29 HA THR 29 0.284 10.296 10.032 199 HB THR 29 HB THR 29 -0.913 10.901 11.925 200 HG1 THR 29 HG1 THR 29 -0.100 8.753 13.343 201 1HG2 THR 29 1HG2 THR 29 -2.350 9.404 13.222 202 2HG2 THR 29 2HG2 THR 29 -1.987 8.089 12.105 203 3HG2 THR 29 3HG2 THR 29 -2.878 9.503 11.542 204 H GLU 30 H GLU 30 1.916 8.950 11.176 205 HA GLU 30 HA GLU 30 2.569 6.822 9.483 206 1HB GLU 30 2HB GLU 30 3.784 7.038 12.208 207 2HB GLU 30 1HB GLU 30 4.547 6.613 10.685 208 1HG GLU 30 2HG GLU 30 4.223 8.986 9.972 209 2HG GLU 30 1HG GLU 30 3.704 9.329 11.627 210 H ASP 31 H ASP 31 1.210 6.841 12.730 211 HA ASP 31 HA ASP 31 1.626 4.099 13.245 212 1HB ASP 31 2HB ASP 31 0.149 4.410 15.147 213 2HB ASP 31 1HB ASP 31 1.246 5.784 14.998 214 H GLN 32 H GLN 32 -1.039 5.868 11.764 215 HA GLN 32 HA GLN 32 -2.724 3.560 11.498 216 1HB GLN 32 2HB GLN 32 -2.766 6.206 10.030 217 2HB GLN 32 1HB GLN 32 -4.008 4.970 9.902 218 1HG GLN 32 2HG GLN 32 -4.455 5.212 12.311 219 2HG GLN 32 1HG GLN 32 -3.264 6.509 12.375 220 1HE2 GLN 32 1HE2 GLN 32 -4.037 7.502 9.727 221 2HE2 GLN 32 2HE2 GLN 32 -5.534 8.340 9.948 222 H PHE 33 H PHE 33 -0.305 5.180 9.574 223 HA PHE 33 HA PHE 33 -0.716 3.804 7.144 224 1HB PHE 33 2HB PHE 33 0.565 5.946 7.452 225 2HB PHE 33 1HB PHE 33 1.865 5.008 8.174 226 HD1 PHE 33 HD1 PHE 33 3.604 4.342 6.824 227 HD2 PHE 33 HD2 PHE 33 -0.199 5.110 5.071 228 HE1 PHE 33 HE1 PHE 33 4.567 3.999 4.584 229 HE2 PHE 33 HE2 PHE 33 0.758 4.757 2.833 230 HZ PHE 33 HZ PHE 33 3.143 4.203 2.588 231 H ASP 34 H ASP 34 1.680 3.321 9.732 232 HA ASP 34 HA ASP 34 2.919 1.035 8.733 233 1HB ASP 34 2HB ASP 34 3.952 2.153 10.547 234 2HB ASP 34 1HB ASP 34 2.507 2.040 11.545 235 H ASP 35 H ASP 35 0.144 1.293 10.938 236 HA ASP 35 HA ASP 35 -0.221 -1.444 11.374 237 1HB ASP 35 2HB ASP 35 -1.314 0.272 12.732 238 2HB ASP 35 1HB ASP 35 -2.285 0.770 11.351 239 H ALA 36 H ALA 36 -1.644 0.691 8.924 240 HA ALA 36 HA ALA 36 -3.244 -1.294 7.710 241 1HB ALA 36 1HB ALA 36 -3.523 0.279 5.897 242 2HB ALA 36 2HB ALA 36 -2.160 1.233 6.486 243 3HB ALA 36 3HB ALA 36 -3.633 1.114 7.447 244 H VAL 37 H VAL 37 0.044 -0.128 7.034 245 HA VAL 37 HA VAL 37 0.470 -1.605 4.675 246 HB VAL 37 HB VAL 37 2.452 -0.629 6.741 247 1HG1 VAL 37 1HG1 VAL 37 4.194 -1.046 5.063 248 2HG1 VAL 37 2HG1 VAL 37 3.000 -1.817 4.019 249 3HG1 VAL 37 3HG1 VAL 37 3.412 -2.541 5.573 250 1HG2 VAL 37 1HG2 VAL 37 2.963 1.068 5.048 251 2HG2 VAL 37 2HG2 VAL 37 1.269 1.126 5.536 252 3HG2 VAL 37 3HG2 VAL 37 1.718 0.390 3.998 253 H ASN 38 H ASN 38 1.142 -2.419 8.073 254 HA ASN 38 HA ASN 38 2.238 -4.965 7.538 255 1HB ASN 38 2HB ASN 38 1.038 -3.705 9.979 256 2HB ASN 38 1HB ASN 38 1.420 -5.422 9.979 257 1HD2 ASN 38 1HD2 ASN 38 2.693 -2.200 9.888 258 2HD2 ASN 38 2HD2 ASN 38 4.337 -2.623 10.220 259 H PHE 39 H PHE 39 -1.071 -3.877 8.075 260 HA PHE 39 HA PHE 39 -2.262 -6.435 8.175 261 1HB PHE 39 2HB PHE 39 -3.302 -4.189 8.806 262 2HB PHE 39 1HB PHE 39 -3.579 -3.945 7.086 263 HD1 PHE 39 HD1 PHE 39 -5.320 -5.095 5.938 264 HD2 PHE 39 HD2 PHE 39 -4.460 -5.988 10.008 265 HE1 PHE 39 HE1 PHE 39 -7.433 -6.348 6.111 266 HE2 PHE 39 HE2 PHE 39 -6.571 -7.238 10.186 267 HZ PHE 39 HZ PHE 39 -8.061 -7.421 8.235 268 H LEU 40 H LEU 40 -1.798 -4.149 5.497 269 HA LEU 40 HA LEU 40 -2.887 -5.727 3.447 270 1HB LEU 40 2HB LEU 40 -0.772 -3.584 3.435 271 2HB LEU 40 1HB LEU 40 -1.369 -4.329 1.965 272 HG LEU 40 HG LEU 40 -3.201 -2.934 3.911 273 1HD1 LEU 40 1HD1 LEU 40 -1.483 -1.352 3.163 274 2HD1 LEU 40 2HD1 LEU 40 -3.061 -0.976 2.473 275 3HD1 LEU 40 3HD1 LEU 40 -1.834 -1.769 1.486 276 1HD2 LEU 40 1HD2 LEU 40 -4.244 -4.467 2.328 277 2HD2 LEU 40 2HD2 LEU 40 -3.429 -3.653 0.990 278 3HD2 LEU 40 3HD2 LEU 40 -4.646 -2.794 1.937 279 H LYS 41 H LYS 41 0.338 -5.586 4.829 280 HA LYS 41 HA LYS 41 1.596 -7.277 2.930 281 1HB LYS 41 2HB LYS 41 2.670 -5.615 4.545 282 2HB LYS 41 1HB LYS 41 2.449 -6.831 5.792 283 1HG LYS 41 2HG LYS 41 3.922 -7.517 3.286 284 2HG LYS 41 1HG LYS 41 4.721 -6.611 4.568 285 1HD LYS 41 2HD LYS 41 3.412 -9.318 4.850 286 2HD LYS 41 1HD LYS 41 5.149 -9.003 4.784 287 1HE LYS 41 2HE LYS 41 4.985 -7.691 6.848 288 2HE LYS 41 1HE LYS 41 3.250 -8.003 6.910 289 1HZ LYS 41 1HZ LYS 41 3.799 -10.406 7.017 290 2HZ LYS 41 2HZ LYS 41 4.343 -9.527 8.361 291 3HZ LYS 41 3HZ LYS 41 5.439 -9.995 7.157 292 H ARG 42 H ARG 42 -0.197 -7.831 5.890 293 HA ARG 42 HA ARG 42 0.570 -10.547 6.220 294 1HB ARG 42 2HB ARG 42 -0.352 -9.222 8.072 295 2HB ARG 42 1HB ARG 42 -1.896 -9.119 7.236 296 1HG ARG 42 2HG ARG 42 -2.254 -11.469 7.451 297 2HG ARG 42 1HG ARG 42 -0.622 -11.712 8.064 298 1HD ARG 42 2HD ARG 42 -2.148 -11.811 9.903 299 2HD ARG 42 1HD ARG 42 -1.205 -10.329 10.033 300 HE ARG 42 HE ARG 42 -3.123 -9.118 9.829 301 1HH1 ARG 42 1HH1 ARG 42 -3.769 -12.363 8.629 302 2HH1 ARG 42 2HH1 ARG 42 -5.499 -12.158 8.651 303 1HH2 ARG 42 1HH2 ARG 42 -5.390 -8.882 9.909 304 2HH2 ARG 42 2HH2 ARG 42 -6.414 -10.193 9.411 305 H GLU 43 H GLU 43 -2.110 -8.957 4.557 306 HA GLU 43 HA GLU 43 -3.307 -11.462 3.793 307 1HB GLU 43 2HB GLU 43 -3.856 -8.662 2.801 308 2HB GLU 43 1HB GLU 43 -4.836 -10.078 2.450 309 1HG GLU 43 2HG GLU 43 -5.280 -10.323 4.867 310 2HG GLU 43 1HG GLU 43 -4.390 -8.827 5.149 311 H GLY 44 H GLY 44 -0.932 -9.312 2.496 312 1HA GLY 44 2HA GLY 44 0.734 -10.040 1.017 313 2HA GLY 44 1HA GLY 44 -0.316 -11.354 0.514 314 H TYR 45 H TYR 45 -0.917 -7.836 0.559 315 HA TYR 45 HA TYR 45 -1.702 -8.034 -2.244 316 1HB TYR 45 2HB TYR 45 -1.955 -5.766 -0.263 317 2HB TYR 45 1HB TYR 45 -2.506 -5.689 -1.935 318 HD1 TYR 45 HD1 TYR 45 -4.008 -7.849 -2.592 319 HD2 TYR 45 HD2 TYR 45 -3.583 -6.213 1.309 320 HE1 TYR 45 HE1 TYR 45 -6.146 -8.870 -1.941 321 HE2 TYR 45 HE2 TYR 45 -5.723 -7.225 1.969 322 HH TYR 45 HH TYR 45 -7.727 -8.094 1.026 323 H ILE 46 H ILE 46 0.767 -6.538 -0.255 324 HA ILE 46 HA ILE 46 2.271 -5.987 -2.703 325 HB ILE 46 HB ILE 46 3.189 -3.910 -1.831 326 1HG1 ILE 46 2HG1 ILE 46 2.871 -4.422 0.601 327 2HG1 ILE 46 1HG1 ILE 46 2.392 -2.796 0.140 328 1HG2 ILE 46 1HG2 ILE 46 1.234 -3.816 -3.286 329 2HG2 ILE 46 2HG2 ILE 46 1.272 -2.465 -2.156 330 3HG2 ILE 46 3HG2 ILE 46 0.180 -3.820 -1.873 331 1HD1 ILE 46 1HD1 ILE 46 0.523 -5.106 0.585 332 2HD1 ILE 46 2HD1 ILE 46 0.060 -3.450 0.189 333 3HD1 ILE 46 3HD1 ILE 46 0.851 -3.805 1.728 334 H ILE 47 H ILE 47 4.478 -6.264 -2.542 335 HA ILE 47 HA ILE 47 5.484 -7.255 0.036 336 HB ILE 47 HB ILE 47 6.885 -8.909 -1.280 337 1HG1 ILE 47 2HG1 ILE 47 5.611 -9.652 -3.441 338 2HG1 ILE 47 1HG1 ILE 47 5.014 -7.999 -3.449 339 1HG2 ILE 47 1HG2 ILE 47 5.078 -10.575 -1.394 340 2HG2 ILE 47 2HG2 ILE 47 3.896 -9.276 -1.222 341 3HG2 ILE 47 3HG2 ILE 47 5.026 -9.619 0.087 342 1HD1 ILE 47 1HD1 ILE 47 6.953 -8.294 -4.895 343 2HD1 ILE 47 2HD1 ILE 47 7.909 -8.807 -3.505 344 3HD1 ILE 47 3HD1 ILE 47 7.282 -7.161 -3.584 345 H GLY 48 H GLY 48 7.910 -7.266 0.111 346 1HA GLY 48 2HA GLY 48 9.995 -6.456 -0.712 347 2HA GLY 48 1HA GLY 48 9.120 -5.359 -1.769 348 H VAL 49 H VAL 49 7.538 -5.098 1.037 349 HA VAL 49 HA VAL 49 8.461 -2.518 1.632 350 HB VAL 49 HB VAL 49 7.003 -4.390 3.508 351 1HG1 VAL 49 1HG1 VAL 49 7.937 -2.434 4.618 352 2HG1 VAL 49 2HG1 VAL 49 6.176 -2.341 4.554 353 3HG1 VAL 49 3HG1 VAL 49 7.152 -1.380 3.443 354 1HG2 VAL 49 1HG2 VAL 49 4.944 -3.377 2.667 355 2HG2 VAL 49 2HG2 VAL 49 5.822 -4.208 1.383 356 3HG2 VAL 49 3HG2 VAL 49 5.876 -2.449 1.493 357 H HIS 50 H HIS 50 10.226 -1.850 2.705 358 HA HIS 50 HA HIS 50 11.907 -3.891 3.911 359 1HB HIS 50 2HB HIS 50 12.822 -2.268 2.235 360 2HB HIS 50 1HB HIS 50 12.571 -0.984 3.415 361 HD1 HIS 50 HD1 HIS 50 14.586 -0.472 4.772 362 HD2 HIS 50 HD2 HIS 50 14.600 -4.396 3.403 363 HE1 HIS 50 HE1 HIS 50 16.746 -1.462 5.587 364 HE2 HIS 50 HE2 HIS 50 16.645 -3.885 4.911 365 H TYR 51 H TYR 51 11.513 -4.318 5.968 366 HA TYR 51 HA TYR 51 10.880 -2.142 7.820 367 1HB TYR 51 2HB TYR 51 11.011 -5.143 8.236 368 2HB TYR 51 1HB TYR 51 10.584 -3.977 9.483 369 HD1 TYR 51 HD1 TYR 51 9.437 -5.770 6.530 370 HD2 TYR 51 HD2 TYR 51 8.447 -2.760 9.367 371 HE1 TYR 51 HE1 TYR 51 7.085 -5.899 5.838 372 HE2 TYR 51 HE2 TYR 51 6.087 -2.882 8.682 373 HH TYR 51 HH TYR 51 4.752 -3.585 6.791 374 H SER 52 H SER 52 12.521 -1.115 8.811 375 HA SER 52 HA SER 52 15.165 -2.386 8.635 376 1HB SER 52 2HB SER 52 14.569 0.509 9.252 377 2HB SER 52 1HB SER 52 16.108 -0.189 8.742 378 HG SER 52 HG SER 52 15.133 0.792 6.976 379 H ASP 53 H ASP 53 13.888 0.058 10.802 380 HA ASP 53 HA ASP 53 15.226 -1.081 13.077 381 1HB ASP 53 2HB ASP 53 14.106 0.847 14.265 382 2HB ASP 53 1HB ASP 53 15.142 1.312 12.921 383 H ASP 54 H ASP 54 12.086 -1.069 11.687 384 HA ASP 54 HA ASP 54 10.844 -3.128 12.907 385 1HB ASP 54 2HB ASP 54 11.275 -2.010 15.094 386 2HB ASP 54 1HB ASP 54 10.337 -0.625 14.550 387 H ARG 55 H ARG 55 10.733 0.061 11.640 388 HA ARG 55 HA ARG 55 7.862 -0.107 11.092 389 1HB ARG 55 2HB ARG 55 9.683 2.298 10.875 390 2HB ARG 55 1HB ARG 55 7.922 2.296 10.874 391 1HG ARG 55 2HG ARG 55 7.854 1.636 13.173 392 2HG ARG 55 1HG ARG 55 9.595 1.372 13.199 393 1HD ARG 55 2HD ARG 55 9.384 3.425 14.231 394 2HD ARG 55 1HD ARG 55 9.751 3.868 12.565 395 HE ARG 55 HE ARG 55 6.941 3.756 13.373 396 1HH1 ARG 55 1HH1 ARG 55 9.750 5.645 12.498 397 2HH1 ARG 55 2HH1 ARG 55 8.872 7.140 12.391 398 1HH2 ARG 55 1HH2 ARG 55 5.772 5.723 13.253 399 2HH2 ARG 55 2HH2 ARG 55 6.603 7.192 12.813 400 HA PRO 56 HA PRO 56 8.620 -0.676 6.803 401 1HB PRO 56 2HB PRO 56 6.506 0.537 5.651 402 2HB PRO 56 1HB PRO 56 6.339 -0.933 6.616 403 1HG PRO 56 2HG PRO 56 5.794 1.903 7.378 404 2HG PRO 56 1HG PRO 56 4.871 0.441 7.767 405 1HD PRO 56 2HD PRO 56 6.623 1.661 9.494 406 2HD PRO 56 1HD PRO 56 6.201 -0.060 9.557 407 H HIS 57 H HIS 57 10.212 0.252 5.689 408 HA HIS 57 HA HIS 57 10.114 3.163 5.265 409 1HB HIS 57 2HB HIS 57 12.463 1.255 5.209 410 2HB HIS 57 1HB HIS 57 12.559 2.941 4.713 411 HD1 HIS 57 HD1 HIS 57 12.994 4.619 6.509 412 HD2 HIS 57 HD2 HIS 57 11.807 0.937 8.033 413 HE1 HIS 57 HE1 HIS 57 13.274 4.795 9.003 414 HE2 HIS 57 HE2 HIS 57 12.705 2.498 9.890 415 H LEU 58 H LEU 58 9.316 3.711 3.371 416 HA LEU 58 HA LEU 58 9.476 1.813 1.140 417 1HB LEU 58 2HB LEU 58 7.799 4.300 1.475 418 2HB LEU 58 1HB LEU 58 7.725 3.203 0.110 419 HG LEU 58 HG LEU 58 6.978 2.544 2.960 420 1HD1 LEU 58 1HD1 LEU 58 5.294 2.852 0.482 421 2HD1 LEU 58 2HD1 LEU 58 5.373 3.988 1.827 422 3HD1 LEU 58 3HD1 LEU 58 4.715 2.371 2.076 423 1HD2 LEU 58 1HD2 LEU 58 6.208 0.400 2.046 424 2HD2 LEU 58 2HD2 LEU 58 7.949 0.605 1.852 425 3HD2 LEU 58 3HD2 LEU 58 6.873 0.836 0.475 426 H TYR 59 H TYR 59 10.391 2.291 -0.790 427 HA TYR 59 HA TYR 59 11.623 4.926 -1.148 428 1HB TYR 59 2HB TYR 59 13.032 2.281 -1.618 429 2HB TYR 59 1HB TYR 59 13.688 3.871 -1.993 430 HD1 TYR 59 HD1 TYR 59 14.191 5.452 -0.111 431 HD2 TYR 59 HD2 TYR 59 13.196 1.372 0.557 432 HE1 TYR 59 HE1 TYR 59 15.131 5.603 2.153 433 HE2 TYR 59 HE2 TYR 59 14.134 1.512 2.825 434 HH TYR 59 HH TYR 59 14.837 4.423 4.346 435 H LYS 60 H LYS 60 12.672 4.788 -3.557 436 HA LYS 60 HA LYS 60 10.396 4.330 -5.273 437 1HB LYS 60 2HB LYS 60 13.179 5.340 -5.890 438 2HB LYS 60 1HB LYS 60 11.863 5.266 -7.053 439 1HG LYS 60 2HG LYS 60 10.569 6.806 -5.594 440 2HG LYS 60 1HG LYS 60 12.000 6.964 -4.572 441 1HD LYS 60 2HD LYS 60 13.269 7.801 -6.502 442 2HD LYS 60 1HD LYS 60 11.822 7.665 -7.502 443 1HE LYS 60 2HE LYS 60 12.043 9.948 -6.832 444 2HE LYS 60 1HE LYS 60 10.687 9.252 -5.947 445 1HZ LYS 60 1HZ LYS 60 13.435 9.640 -4.879 446 2HZ LYS 60 2HZ LYS 60 12.125 8.986 -4.025 447 3HZ LYS 60 3HZ LYS 60 12.087 10.603 -4.514 448 H LEU 61 H LEU 61 12.150 2.126 -4.004 449 HA LEU 61 HA LEU 61 12.054 0.336 -6.243 450 1HB LEU 61 2HB LEU 61 14.235 1.462 -6.578 451 2HB LEU 61 1HB LEU 61 14.720 0.972 -4.967 452 HG LEU 61 HG LEU 61 14.571 -1.397 -5.668 453 1HD1 LEU 61 1HD1 LEU 61 14.070 -0.230 -8.405 454 2HD1 LEU 61 2HD1 LEU 61 12.925 -1.167 -7.444 455 3HD1 LEU 61 3HD1 LEU 61 14.395 -1.927 -8.050 456 1HD2 LEU 61 1HD2 LEU 61 16.361 0.367 -7.333 457 2HD2 LEU 61 2HD2 LEU 61 16.578 -1.367 -7.096 458 3HD2 LEU 61 3HD2 LEU 61 16.708 -0.265 -5.726 459 H GLY 62 H GLY 62 11.241 -1.472 -5.402 460 1HA GLY 62 2HA GLY 62 12.131 -3.251 -3.712 461 2HA GLY 62 1HA GLY 62 11.694 -2.009 -2.550 462 HA PRO 63 HA PRO 63 7.588 -3.447 -2.335 463 1HB PRO 63 2HB PRO 63 6.379 -0.824 -2.823 464 2HB PRO 63 1HB PRO 63 6.412 -1.784 -1.344 465 1HG PRO 63 2HG PRO 63 7.836 0.486 -1.603 466 2HG PRO 63 1HG PRO 63 8.418 -0.891 -0.648 467 1HD PRO 63 2HD PRO 63 9.183 -0.049 -3.422 468 2HD PRO 63 1HD PRO 63 10.214 -0.627 -2.093 469 H GLU 64 H GLU 64 6.608 -4.648 -3.781 470 HA GLU 64 HA GLU 64 5.580 -3.384 -6.236 471 1HB GLU 64 2HB GLU 64 6.699 -6.173 -5.901 472 2HB GLU 64 1HB GLU 64 5.834 -5.622 -7.328 473 1HG GLU 64 2HG GLU 64 7.557 -3.954 -7.740 474 2HG GLU 64 1HG GLU 64 8.421 -4.484 -6.295 475 H LEU 65 H LEU 65 3.559 -4.183 -6.985 476 HA LEU 65 HA LEU 65 1.889 -5.270 -4.866 477 1HB LEU 65 2HB LEU 65 1.189 -4.251 -7.625 478 2HB LEU 65 1HB LEU 65 0.019 -4.890 -6.488 479 HG LEU 65 HG LEU 65 0.918 -3.028 -4.901 480 1HD1 LEU 65 1HD1 LEU 65 2.808 -2.362 -6.273 481 2HD1 LEU 65 2HD1 LEU 65 1.674 -1.026 -6.066 482 3HD1 LEU 65 3HD1 LEU 65 1.713 -1.923 -7.586 483 1HD2 LEU 65 1HD2 LEU 65 -1.342 -3.090 -5.732 484 2HD2 LEU 65 2HD2 LEU 65 -0.822 -2.447 -7.290 485 3HD2 LEU 65 3HD2 LEU 65 -0.719 -1.443 -5.841 486 H THR 66 H THR 66 0.926 -7.229 -4.880 487 HA THR 66 HA THR 66 2.190 -9.230 -6.545 488 HB THR 66 HB THR 66 0.926 -10.832 -5.128 489 HG1 THR 66 HG1 THR 66 -0.164 -9.781 -3.254 490 1HG2 THR 66 1HG2 THR 66 2.066 -10.325 -3.016 491 2HG2 THR 66 2HG2 THR 66 2.372 -8.680 -3.576 492 3HG2 THR 66 3HG2 THR 66 3.127 -10.047 -4.397 493 H GLU 67 H GLU 67 0.741 -11.047 -7.376 494 HA GLU 67 HA GLU 67 -1.180 -10.208 -9.227 495 1HB GLU 67 2HB GLU 67 -0.020 -12.431 -9.211 496 2HB GLU 67 1HB GLU 67 -1.020 -12.902 -7.846 497 1HG GLU 67 2HG GLU 67 -2.000 -13.881 -9.736 498 2HG GLU 67 1HG GLU 67 -3.017 -12.500 -9.332 499 H LYS 68 H LYS 68 -1.471 -11.393 -5.926 500 HA LYS 68 HA LYS 68 -4.223 -11.381 -5.579 501 1HB LYS 68 2HB LYS 68 -2.593 -12.235 -3.930 502 2HB LYS 68 1HB LYS 68 -2.077 -10.589 -3.591 503 1HG LYS 68 2HG LYS 68 -3.511 -11.144 -1.838 504 2HG LYS 68 1HG LYS 68 -4.490 -10.146 -2.913 505 1HD LYS 68 2HD LYS 68 -5.816 -12.011 -2.219 506 2HD LYS 68 1HD LYS 68 -5.392 -12.245 -3.916 507 1HE LYS 68 2HE LYS 68 -5.160 -14.321 -2.634 508 2HE LYS 68 1HE LYS 68 -3.614 -13.776 -3.282 509 1HZ LYS 68 1HZ LYS 68 -4.510 -13.234 -0.500 510 2HZ LYS 68 2HZ LYS 68 -2.964 -12.978 -1.153 511 3HZ LYS 68 3HZ LYS 68 -3.538 -14.554 -0.936 512 H GLY 69 H GLY 69 -1.919 -8.735 -4.904 513 1HA GLY 69 2HA GLY 69 -3.914 -6.867 -4.158 514 2HA GLY 69 1HA GLY 69 -2.253 -6.485 -4.580 515 H GLU 70 H GLU 70 -2.258 -7.456 -7.226 516 HA GLU 70 HA GLU 70 -3.119 -5.175 -8.582 517 1HB GLU 70 2HB GLU 70 -1.350 -6.676 -9.395 518 2HB GLU 70 1HB GLU 70 -2.552 -7.918 -9.718 519 1HG GLU 70 2HG GLU 70 -3.637 -6.380 -11.323 520 2HG GLU 70 1HG GLU 70 -2.320 -5.237 -11.063 521 H ASN 71 H ASN 71 -4.622 -8.393 -8.404 522 HA ASN 71 HA ASN 71 -6.831 -7.667 -10.072 523 1HB ASN 71 2HB ASN 71 -6.348 -10.006 -8.226 524 2HB ASN 71 1HB ASN 71 -7.846 -9.808 -9.127 525 1HD2 ASN 71 1HD2 ASN 71 -4.444 -10.454 -9.330 526 2HD2 ASN 71 2HD2 ASN 71 -4.440 -11.025 -10.967 527 H TYR 72 H TYR 72 -6.115 -7.424 -6.705 528 HA TYR 72 HA TYR 72 -8.792 -7.235 -5.763 529 1HB TYR 72 2HB TYR 72 -6.643 -7.778 -4.447 530 2HB TYR 72 1HB TYR 72 -6.394 -6.037 -4.394 531 HD1 TYR 72 HD1 TYR 72 -8.877 -8.666 -3.535 532 HD2 TYR 72 HD2 TYR 72 -7.388 -4.769 -2.701 533 HE1 TYR 72 HE1 TYR 72 -10.326 -8.543 -1.556 534 HE2 TYR 72 HE2 TYR 72 -8.830 -4.644 -0.712 535 HH TYR 72 HH TYR 72 -10.410 -7.333 0.593 536 H LEU 73 H LEU 73 -6.569 -5.027 -7.204 537 HA LEU 73 HA LEU 73 -7.499 -2.552 -6.315 538 1HB LEU 73 2HB LEU 73 -6.343 -3.332 -8.990 539 2HB LEU 73 1HB LEU 73 -6.582 -1.677 -8.467 540 HG LEU 73 HG LEU 73 -4.812 -3.633 -6.999 541 1HD1 LEU 73 1HD1 LEU 73 -3.928 -3.332 -9.228 542 2HD1 LEU 73 2HD1 LEU 73 -2.936 -2.446 -8.069 543 3HD1 LEU 73 3HD1 LEU 73 -4.090 -1.582 -9.088 544 1HD2 LEU 73 1HD2 LEU 73 -3.870 -1.571 -6.032 545 2HD2 LEU 73 2HD2 LEU 73 -5.579 -1.774 -5.641 546 3HD2 LEU 73 3HD2 LEU 73 -5.089 -0.629 -6.892 547 H LYS 74 H LYS 74 -9.051 -4.814 -8.339 548 HA LYS 74 HA LYS 74 -10.402 -3.488 -10.269 549 1HB LYS 74 2HB LYS 74 -10.506 -5.928 -9.747 550 2HB LYS 74 1HB LYS 74 -11.653 -5.560 -8.467 551 1HG LYS 74 2HG LYS 74 -12.984 -4.406 -10.406 552 2HG LYS 74 1HG LYS 74 -12.016 -5.478 -11.420 553 1HD LYS 74 2HD LYS 74 -14.126 -6.546 -10.863 554 2HD LYS 74 1HD LYS 74 -12.797 -7.404 -10.074 555 1HE LYS 74 2HE LYS 74 -13.246 -6.208 -8.001 556 2HE LYS 74 1HE LYS 74 -14.541 -5.312 -8.785 557 1HZ LYS 74 1HZ LYS 74 -14.473 -8.214 -8.175 558 2HZ LYS 74 2HZ LYS 74 -15.651 -7.499 -9.164 559 3HZ LYS 74 3HZ LYS 74 -15.517 -7.038 -7.535 560 H GLU 75 H GLU 75 -11.504 -3.681 -6.865 561 HA GLU 75 HA GLU 75 -13.942 -2.278 -7.414 562 1HB GLU 75 2HB GLU 75 -12.642 -2.790 -4.734 563 2HB GLU 75 1HB GLU 75 -14.318 -2.345 -5.016 564 1HG GLU 75 2HG GLU 75 -13.068 -4.885 -6.026 565 2HG GLU 75 1HG GLU 75 -13.929 -4.752 -4.497 566 H ASN 76 H ASN 76 -10.794 -1.419 -6.124 567 HA ASN 76 HA ASN 76 -11.387 1.145 -5.155 568 1HB ASN 76 2HB ASN 76 -9.305 -0.143 -4.668 569 2HB ASN 76 1HB ASN 76 -8.769 0.157 -6.318 570 1HD2 ASN 76 1HD2 ASN 76 -6.927 1.192 -5.513 571 2HD2 ASN 76 2HD2 ASN 76 -6.998 2.794 -4.870 572 H GLY 77 H GLY 77 -11.015 -0.065 -8.352 573 1HA GLY 77 2HA GLY 77 -10.361 2.244 -9.773 574 2HA GLY 77 1HA GLY 77 -11.335 0.921 -10.394 575 H THR 78 H THR 78 -13.475 1.261 -8.408 576 HA THR 78 HA THR 78 -14.704 3.610 -9.663 577 HB THR 78 HB THR 78 -15.827 1.347 -9.872 578 HG1 THR 78 HG1 THR 78 -16.905 3.453 -10.065 579 1HG2 THR 78 1HG2 THR 78 -17.193 0.602 -7.967 580 2HG2 THR 78 2HG2 THR 78 -16.446 1.838 -6.956 581 3HG2 THR 78 3HG2 THR 78 -15.468 0.525 -7.608 582 H TRP 79 H TRP 79 -13.293 2.677 -6.761 583 HA TRP 79 HA TRP 79 -14.894 4.357 -5.053 584 1HB TRP 79 2HB TRP 79 -13.686 2.355 -4.187 585 2HB TRP 79 1HB TRP 79 -12.160 3.158 -4.534 586 HD1 TRP 79 HD1 TRP 79 -14.785 5.432 -3.077 587 HE1 TRP 79 HE1 TRP 79 -14.211 5.950 -0.623 588 HE3 TRP 79 HE3 TRP 79 -11.072 1.994 -2.365 589 HZ2 TRP 79 HZ2 TRP 79 -12.431 5.018 1.357 590 HZ3 TRP 79 HZ3 TRP 79 -9.985 1.871 -0.163 591 HH2 TRP 79 HH2 TRP 79 -10.653 3.354 1.660 592 H SER 80 H SER 80 -11.819 4.536 -6.738 593 HA SER 80 HA SER 80 -11.322 7.243 -5.846 594 1HB SER 80 2HB SER 80 -9.354 7.046 -7.448 595 2HB SER 80 1HB SER 80 -9.374 5.903 -6.107 596 HG SER 80 HG SER 80 -10.035 4.292 -7.485 597 H LYS 81 H LYS 81 -12.471 5.587 -8.711 598 HA LYS 81 HA LYS 81 -13.643 6.256 -10.511 599 1HB LYS 81 2HB LYS 81 -13.966 8.805 -8.921 600 2HB LYS 81 1HB LYS 81 -14.781 8.490 -10.449 601 1HG LYS 81 2HG LYS 81 -15.938 6.600 -9.483 602 2HG LYS 81 1HG LYS 81 -15.057 6.804 -7.968 603 1HD LYS 81 2HD LYS 81 -16.095 8.995 -7.655 604 2HD LYS 81 1HD LYS 81 -16.972 8.801 -9.178 605 1HE LYS 81 2HE LYS 81 -18.144 6.876 -8.291 606 2HE LYS 81 1HE LYS 81 -17.211 6.962 -6.798 607 1HZ LYS 81 1HZ LYS 81 -19.093 9.044 -7.776 608 2HZ LYS 81 2HZ LYS 81 -18.207 9.104 -6.328 609 3HZ LYS 81 3HZ LYS 81 -19.410 7.924 -6.539 610 H ALA 82 H ALA 82 -12.308 9.469 -9.821 611 HA ALA 82 HA ALA 82 -10.207 9.343 -11.710 612 1HB ALA 82 1HB ALA 82 -12.731 10.684 -12.688 613 2HB ALA 82 2HB ALA 82 -12.032 9.200 -13.333 614 3HB ALA 82 3HB ALA 82 -11.163 10.726 -13.492 Start of MODEL 11 1 H LYS 5 H LYS 5 -9.727 1.546 5.903 2 HA LYS 5 HA LYS 5 -11.759 2.608 4.054 3 1HB LYS 5 2HB LYS 5 -10.502 4.136 6.336 4 2HB LYS 5 1HB LYS 5 -11.837 4.650 5.317 5 1HG LYS 5 2HG LYS 5 -13.243 2.894 6.264 6 2HG LYS 5 1HG LYS 5 -11.902 2.370 7.284 7 1HD LYS 5 2HD LYS 5 -11.864 4.693 8.246 8 2HD LYS 5 1HD LYS 5 -13.369 5.000 7.378 9 1HE LYS 5 2HE LYS 5 -13.896 4.390 9.638 10 2HE LYS 5 1HE LYS 5 -14.383 3.073 8.571 11 1HZ LYS 5 1HZ LYS 5 -13.179 2.421 10.669 12 2HZ LYS 5 2HZ LYS 5 -11.781 3.092 9.985 13 3HZ LYS 5 3HZ LYS 5 -12.548 1.786 9.233 14 H LEU 6 H LEU 6 -8.461 2.948 5.317 15 HA LEU 6 HA LEU 6 -7.866 4.856 3.173 16 1HB LEU 6 2HB LEU 6 -6.301 4.173 5.660 17 2HB LEU 6 1HB LEU 6 -5.830 5.372 4.475 18 HG LEU 6 HG LEU 6 -6.733 6.621 6.219 19 1HD1 LEU 6 1HD1 LEU 6 -9.007 6.209 4.290 20 2HD1 LEU 6 2HD1 LEU 6 -7.641 7.303 4.073 21 3HD1 LEU 6 3HD1 LEU 6 -8.802 7.588 5.370 22 1HD2 LEU 6 1HD2 LEU 6 -8.860 6.126 7.336 23 2HD2 LEU 6 2HD2 LEU 6 -7.686 4.823 7.524 24 3HD2 LEU 6 3HD2 LEU 6 -9.011 4.656 6.372 25 H ARG 7 H ARG 7 -7.558 1.585 3.649 26 HA ARG 7 HA ARG 7 -4.791 1.257 3.061 27 1HB ARG 7 2HB ARG 7 -6.899 -0.414 3.923 28 2HB ARG 7 1HB ARG 7 -6.242 -1.126 2.454 29 1HG ARG 7 2HG ARG 7 -4.049 -1.199 3.385 30 2HG ARG 7 1HG ARG 7 -4.564 -0.278 4.797 31 1HD ARG 7 2HD ARG 7 -5.480 -3.046 4.037 32 2HD ARG 7 1HD ARG 7 -4.358 -2.637 5.336 33 HE ARG 7 HE ARG 7 -7.244 -2.111 5.294 34 1HH1 ARG 7 1HH1 ARG 7 -4.214 -2.148 7.047 35 2HH1 ARG 7 2HH1 ARG 7 -4.957 -1.921 8.602 36 1HH2 ARG 7 1HH2 ARG 7 -8.225 -1.866 7.352 37 2HH2 ARG 7 2HH2 ARG 7 -7.237 -1.821 8.780 38 H TYR 8 H TYR 8 -7.742 0.988 1.102 39 HA TYR 8 HA TYR 8 -6.536 0.130 -1.264 40 1HB TYR 8 2HB TYR 8 -8.921 0.125 -1.156 41 2HB TYR 8 1HB TYR 8 -8.976 1.857 -0.833 42 HD1 TYR 8 HD1 TYR 8 -7.882 -0.586 -3.429 43 HD2 TYR 8 HD2 TYR 8 -9.275 3.343 -2.593 44 HE1 TYR 8 HE1 TYR 8 -8.016 -0.128 -5.841 45 HE2 TYR 8 HE2 TYR 8 -9.420 3.811 -5.000 46 HH TYR 8 HH TYR 8 -9.155 1.363 -7.372 47 H ALA 9 H ALA 9 -6.950 3.391 0.023 48 HA ALA 9 HA ALA 9 -6.089 4.824 -2.214 49 1HB ALA 9 1HB ALA 9 -5.641 6.658 -0.662 50 2HB ALA 9 2HB ALA 9 -5.778 5.543 0.698 51 3HB ALA 9 3HB ALA 9 -7.185 5.880 -0.313 52 H ILE 10 H ILE 10 -4.250 3.594 0.554 53 HA ILE 10 HA ILE 10 -1.739 4.557 -0.280 54 HB ILE 10 HB ILE 10 -2.399 2.184 1.473 55 1HG1 ILE 10 2HG1 ILE 10 -1.665 5.037 2.167 56 2HG1 ILE 10 1HG1 ILE 10 -3.280 4.347 2.269 57 1HG2 ILE 10 1HG2 ILE 10 0.212 3.661 1.150 58 2HG2 ILE 10 2HG2 ILE 10 -0.127 2.018 0.609 59 3HG2 ILE 10 3HG2 ILE 10 -0.118 2.393 2.331 60 1HD1 ILE 10 1HD1 ILE 10 -2.491 2.784 3.977 61 2HD1 ILE 10 2HD1 ILE 10 -2.262 4.466 4.452 62 3HD1 ILE 10 3HD1 ILE 10 -0.887 3.514 3.892 63 H LEU 11 H LEU 11 -3.420 1.499 -0.864 64 HA LEU 11 HA LEU 11 -1.401 0.071 -2.126 65 1HB LEU 11 2HB LEU 11 -4.381 0.066 -2.396 66 2HB LEU 11 1HB LEU 11 -3.410 -0.917 -3.473 67 HG LEU 11 HG LEU 11 -3.341 -1.129 -0.464 68 1HD1 LEU 11 1HD1 LEU 11 -4.746 -2.848 -2.505 69 2HD1 LEU 11 2HD1 LEU 11 -5.522 -1.783 -1.331 70 3HD1 LEU 11 3HD1 LEU 11 -4.617 -3.195 -0.781 71 1HD2 LEU 11 1HD2 LEU 11 -2.187 -2.872 -2.642 72 2HD2 LEU 11 2HD2 LEU 11 -2.156 -3.230 -0.914 73 3HD2 LEU 11 3HD2 LEU 11 -1.275 -1.839 -1.541 74 H LYS 12 H LYS 12 -3.762 2.310 -3.611 75 HA LYS 12 HA LYS 12 -2.767 1.765 -6.228 76 1HB LYS 12 2HB LYS 12 -4.440 3.101 -7.040 77 2HB LYS 12 1HB LYS 12 -5.118 2.652 -5.485 78 1HG LYS 12 2HG LYS 12 -4.602 4.765 -4.548 79 2HG LYS 12 1HG LYS 12 -3.603 5.208 -5.935 80 1HD LYS 12 2HD LYS 12 -5.784 4.858 -7.296 81 2HD LYS 12 1HD LYS 12 -6.585 5.010 -5.731 82 1HE LYS 12 2HE LYS 12 -6.479 7.155 -6.914 83 2HE LYS 12 1HE LYS 12 -5.570 7.196 -5.402 84 1HZ LYS 12 1HZ LYS 12 -4.278 6.645 -8.020 85 2HZ LYS 12 2HZ LYS 12 -3.534 7.075 -6.550 86 3HZ LYS 12 3HZ LYS 12 -4.453 8.219 -7.400 87 H GLU 13 H GLU 13 -2.013 4.146 -3.778 88 HA GLU 13 HA GLU 13 -0.586 5.888 -5.517 89 1HB GLU 13 2HB GLU 13 -0.410 5.536 -2.519 90 2HB GLU 13 1HB GLU 13 0.408 6.807 -3.418 91 1HG GLU 13 2HG GLU 13 -2.563 6.396 -3.171 92 2HG GLU 13 1HG GLU 13 -1.601 7.679 -2.439 93 H ILE 14 H ILE 14 0.248 3.004 -3.720 94 HA ILE 14 HA ILE 14 3.052 3.136 -4.193 95 HB ILE 14 HB ILE 14 1.276 0.729 -3.725 96 1HG1 ILE 14 2HG1 ILE 14 3.042 2.261 -1.799 97 2HG1 ILE 14 1HG1 ILE 14 1.287 2.382 -1.877 98 1HG2 ILE 14 1HG2 ILE 14 4.281 0.970 -3.634 99 2HG2 ILE 14 2HG2 ILE 14 3.328 0.025 -4.780 100 3HG2 ILE 14 3HG2 ILE 14 3.362 -0.428 -3.077 101 1HD1 ILE 14 1HD1 ILE 14 2.028 0.946 -0.049 102 2HD1 ILE 14 2HD1 ILE 14 2.843 -0.108 -1.206 103 3HD1 ILE 14 3HD1 ILE 14 1.086 0.045 -1.238 104 H PHE 15 H PHE 15 0.298 1.936 -5.980 105 HA PHE 15 HA PHE 15 1.848 0.529 -7.943 106 1HB PHE 15 2HB PHE 15 -0.426 -0.162 -7.256 107 2HB PHE 15 1HB PHE 15 -1.072 1.318 -7.950 108 HD1 PHE 15 HD1 PHE 15 0.601 -1.875 -8.744 109 HD2 PHE 15 HD2 PHE 15 -1.541 1.482 -10.257 110 HE1 PHE 15 HE1 PHE 15 0.312 -3.032 -10.898 111 HE2 PHE 15 HE2 PHE 15 -1.827 0.333 -12.412 112 HZ PHE 15 HZ PHE 15 -0.900 -1.928 -12.732 113 H GLU 16 H GLU 16 -0.087 3.535 -7.968 114 HA GLU 16 HA GLU 16 0.708 4.084 -10.698 115 1HB GLU 16 2HB GLU 16 -0.911 5.777 -8.784 116 2HB GLU 16 1HB GLU 16 -0.729 6.060 -10.511 117 1HG GLU 16 2HG GLU 16 -1.797 3.841 -10.908 118 2HG GLU 16 1HG GLU 16 -2.119 3.752 -9.177 119 H GLY 17 H GLY 17 1.394 5.324 -7.476 120 1HA GLY 17 2HA GLY 17 2.973 7.527 -8.431 121 2HA GLY 17 1HA GLY 17 2.835 6.984 -6.766 122 H ASN 18 H ASN 18 3.561 4.207 -7.779 123 HA ASN 18 HA ASN 18 5.381 2.880 -8.047 124 1HB ASN 18 2HB ASN 18 5.668 4.271 -10.123 125 2HB ASN 18 1HB ASN 18 6.753 5.313 -9.213 126 1HD2 ASN 18 1HD2 ASN 18 6.570 1.801 -8.932 127 2HD2 ASN 18 2HD2 ASN 18 8.150 1.495 -9.562 128 H THR 19 H THR 19 4.989 4.762 -5.722 129 HA THR 19 HA THR 19 5.927 5.331 -3.763 130 HB THR 19 HB THR 19 7.942 3.803 -3.056 131 HG1 THR 19 HG1 THR 19 8.047 3.023 -5.376 132 1HG2 THR 19 1HG2 THR 19 6.336 2.071 -2.395 133 2HG2 THR 19 2HG2 THR 19 5.153 2.754 -3.510 134 3HG2 THR 19 3HG2 THR 19 5.702 3.694 -2.122 135 HA PRO 20 HA PRO 20 7.729 5.049 -1.948 136 1HB PRO 20 2HB PRO 20 8.658 6.916 -0.271 137 2HB PRO 20 1HB PRO 20 9.753 5.802 -1.099 138 1HG PRO 20 2HG PRO 20 9.100 8.648 -1.749 139 2HG PRO 20 1HG PRO 20 10.672 7.828 -1.761 140 1HD PRO 20 2HD PRO 20 9.157 8.287 -4.004 141 2HD PRO 20 1HD PRO 20 10.346 6.979 -3.858 142 H LEU 21 H LEU 21 6.386 5.804 -0.072 143 HA LEU 21 HA LEU 21 4.740 8.155 -0.706 144 1HB LEU 21 2HB LEU 21 3.559 6.095 -1.435 145 2HB LEU 21 1HB LEU 21 3.685 5.462 0.193 146 HG LEU 21 HG LEU 21 2.316 7.457 0.948 147 1HD1 LEU 21 1HD1 LEU 21 1.811 7.700 -2.013 148 2HD1 LEU 21 2HD1 LEU 21 2.699 8.859 -1.022 149 3HD1 LEU 21 3HD1 LEU 21 0.978 8.588 -0.737 150 1HD2 LEU 21 1HD2 LEU 21 1.380 5.214 0.729 151 2HD2 LEU 21 2HD2 LEU 21 1.055 5.511 -0.980 152 3HD2 LEU 21 3HD2 LEU 21 0.206 6.443 0.256 153 H SER 22 H SER 22 4.948 9.507 0.953 154 HA SER 22 HA SER 22 5.519 8.516 3.616 155 1HB SER 22 2HB SER 22 5.052 11.354 2.658 156 2HB SER 22 1HB SER 22 5.673 10.880 4.240 157 HG SER 22 HG SER 22 6.918 10.734 1.718 158 H GLU 23 H GLU 23 4.216 9.449 5.459 159 HA GLU 23 HA GLU 23 1.480 8.799 5.212 160 1HB GLU 23 2HB GLU 23 1.257 9.590 7.505 161 2HB GLU 23 1HB GLU 23 2.722 8.638 7.346 162 1HG GLU 23 2HG GLU 23 2.559 11.645 7.462 163 2HG GLU 23 1HG GLU 23 3.075 10.578 8.764 164 H ASN 24 H ASN 24 3.260 11.843 5.226 165 HA ASN 24 HA ASN 24 0.965 13.522 5.075 166 1HB ASN 24 2HB ASN 24 3.890 13.970 4.513 167 2HB ASN 24 1HB ASN 24 2.693 15.233 4.248 168 1HD2 ASN 24 1HD2 ASN 24 4.338 13.283 6.615 169 2HD2 ASN 24 2HD2 ASN 24 3.888 14.235 7.994 170 H ASP 25 H ASP 25 2.611 11.619 2.746 171 HA ASP 25 HA ASP 25 1.870 13.173 0.448 172 1HB ASP 25 2HB ASP 25 2.912 10.368 0.790 173 2HB ASP 25 1HB ASP 25 2.380 10.962 -0.777 174 H ILE 26 H ILE 26 0.579 10.335 2.105 175 HA ILE 26 HA ILE 26 -1.603 10.139 0.207 176 HB ILE 26 HB ILE 26 -0.491 8.100 1.005 177 1HG1 ILE 26 2HG1 ILE 26 -3.011 8.250 0.371 178 2HG1 ILE 26 1HG1 ILE 26 -2.384 6.772 1.084 179 1HG2 ILE 26 1HG2 ILE 26 -1.620 8.812 3.700 180 2HG2 ILE 26 2HG2 ILE 26 0.084 8.745 3.243 181 3HG2 ILE 26 3HG2 ILE 26 -0.876 7.266 3.282 182 1HD1 ILE 26 1HD1 ILE 26 -3.908 8.922 2.539 183 2HD1 ILE 26 2HD1 ILE 26 -3.296 7.426 3.249 184 3HD1 ILE 26 3HD1 ILE 26 -4.549 7.366 2.008 185 H GLY 27 H GLY 27 -1.098 11.093 3.587 186 1HA GLY 27 2HA GLY 27 -2.473 13.084 4.156 187 2HA GLY 27 1HA GLY 27 -3.843 12.195 3.517 188 H VAL 28 H VAL 28 -2.495 9.750 4.860 189 HA VAL 28 HA VAL 28 -3.933 10.097 7.363 190 HB VAL 28 HB VAL 28 -3.657 7.704 7.682 191 1HG1 VAL 28 1HG1 VAL 28 -4.905 6.913 5.716 192 2HG1 VAL 28 2HG1 VAL 28 -4.532 8.427 4.894 193 3HG1 VAL 28 3HG1 VAL 28 -5.530 8.435 6.348 194 1HG2 VAL 28 1HG2 VAL 28 -2.053 7.751 5.127 195 2HG2 VAL 28 2HG2 VAL 28 -2.543 6.307 6.015 196 3HG2 VAL 28 3HG2 VAL 28 -1.417 7.449 6.744 197 H THR 29 H THR 29 -2.943 9.322 9.400 198 HA THR 29 HA THR 29 -0.274 10.421 9.622 199 HB THR 29 HB THR 29 -2.021 10.983 11.281 200 HG1 THR 29 HG1 THR 29 -0.610 10.528 13.150 201 1HG2 THR 29 1HG2 THR 29 -2.579 9.349 13.037 202 2HG2 THR 29 2HG2 THR 29 -1.699 8.112 12.140 203 3HG2 THR 29 3HG2 THR 29 -3.151 8.836 11.448 204 H GLU 30 H GLU 30 0.987 9.153 11.504 205 HA GLU 30 HA GLU 30 2.268 7.086 10.102 206 1HB GLU 30 2HB GLU 30 2.487 7.392 13.082 207 2HB GLU 30 1HB GLU 30 3.739 6.960 11.921 208 1HG GLU 30 2HG GLU 30 3.667 9.254 11.036 209 2HG GLU 30 1HG GLU 30 2.464 9.661 12.260 210 H ASP 31 H ASP 31 0.076 7.009 12.856 211 HA ASP 31 HA ASP 31 0.048 4.284 13.392 212 1HB ASP 31 2HB ASP 31 -1.728 6.587 13.878 213 2HB ASP 31 1HB ASP 31 -2.507 5.007 13.969 214 H GLN 32 H GLN 32 -2.147 6.123 11.300 215 HA GLN 32 HA GLN 32 -3.702 3.925 10.471 216 1HB GLN 32 2HB GLN 32 -3.205 6.511 8.988 217 2HB GLN 32 1HB GLN 32 -4.555 5.412 8.743 218 1HG GLN 32 2HG GLN 32 -5.440 5.920 10.909 219 2HG GLN 32 1HG GLN 32 -4.017 6.881 11.312 220 1HE2 GLN 32 1HE2 GLN 32 -6.990 6.766 9.540 221 2HE2 GLN 32 2HE2 GLN 32 -7.033 8.442 9.097 222 H PHE 33 H PHE 33 -0.962 5.587 8.967 223 HA PHE 33 HA PHE 33 -0.819 4.093 6.608 224 1HB PHE 33 2HB PHE 33 0.405 6.232 7.122 225 2HB PHE 33 1HB PHE 33 1.501 5.301 8.134 226 HD1 PHE 33 HD1 PHE 33 0.351 5.849 4.677 227 HD2 PHE 33 HD2 PHE 33 3.273 4.044 7.192 228 HE1 PHE 33 HE1 PHE 33 1.749 5.387 2.711 229 HE2 PHE 33 HE2 PHE 33 4.679 3.576 5.226 230 HZ PHE 33 HZ PHE 33 3.917 4.251 2.985 231 H ASP 34 H ASP 34 0.708 3.617 9.755 232 HA ASP 34 HA ASP 34 2.259 1.373 9.159 233 1HB ASP 34 2HB ASP 34 2.588 2.573 11.224 234 2HB ASP 34 1HB ASP 34 0.942 2.231 11.743 235 H ASP 35 H ASP 35 -0.990 1.509 10.610 236 HA ASP 35 HA ASP 35 -1.388 -1.251 10.844 237 1HB ASP 35 2HB ASP 35 -2.812 0.376 11.986 238 2HB ASP 35 1HB ASP 35 -3.433 0.948 10.442 239 H ALA 36 H ALA 36 -2.111 0.971 8.211 240 HA ALA 36 HA ALA 36 -3.508 -0.854 6.595 241 1HB ALA 36 1HB ALA 36 -3.592 1.577 6.303 242 2HB ALA 36 2HB ALA 36 -3.192 0.729 4.810 243 3HB ALA 36 3HB ALA 36 -1.925 1.552 5.724 244 H VAL 37 H VAL 37 -0.113 0.251 6.359 245 HA VAL 37 HA VAL 37 0.501 -1.357 4.135 246 HB VAL 37 HB VAL 37 2.387 -0.201 6.195 247 1HG1 VAL 37 1HG1 VAL 37 4.107 -0.423 4.446 248 2HG1 VAL 37 2HG1 VAL 37 2.946 -1.274 3.429 249 3HG1 VAL 37 3HG1 VAL 37 3.470 -1.988 4.953 250 1HG2 VAL 37 1HG2 VAL 37 1.515 0.840 3.501 251 2HG2 VAL 37 2HG2 VAL 37 2.703 1.592 4.567 252 3HG2 VAL 37 3HG2 VAL 37 1.017 1.477 5.070 253 H ASN 38 H ASN 38 0.958 -1.947 7.616 254 HA ASN 38 HA ASN 38 2.407 -4.342 7.345 255 1HB ASN 38 2HB ASN 38 0.689 -3.256 9.558 256 2HB ASN 38 1HB ASN 38 1.366 -4.875 9.664 257 1HD2 ASN 38 1HD2 ASN 38 1.990 -1.506 9.815 258 2HD2 ASN 38 2HD2 ASN 38 3.640 -1.617 10.326 259 H PHE 39 H PHE 39 -1.085 -3.770 7.654 260 HA PHE 39 HA PHE 39 -1.837 -6.483 7.614 261 1HB PHE 39 2HB PHE 39 -3.390 -4.794 8.377 262 2HB PHE 39 1HB PHE 39 -3.372 -4.009 6.801 263 HD1 PHE 39 HD1 PHE 39 -4.275 -7.204 8.476 264 HD2 PHE 39 HD2 PHE 39 -4.940 -4.574 5.197 265 HE1 PHE 39 HE1 PHE 39 -6.180 -8.586 7.760 266 HE2 PHE 39 HE2 PHE 39 -6.851 -5.951 4.476 267 HZ PHE 39 HZ PHE 39 -7.473 -7.961 5.759 268 H LEU 40 H LEU 40 -1.287 -4.153 5.024 269 HA LEU 40 HA LEU 40 -2.323 -5.674 2.898 270 1HB LEU 40 2HB LEU 40 -0.096 -3.636 2.945 271 2HB LEU 40 1HB LEU 40 -0.787 -4.298 1.475 272 HG LEU 40 HG LEU 40 -2.326 -2.714 3.534 273 1HD1 LEU 40 1HD1 LEU 40 -2.323 -0.927 1.852 274 2HD1 LEU 40 2HD1 LEU 40 -1.244 -1.891 0.843 275 3HD1 LEU 40 3HD1 LEU 40 -0.696 -1.308 2.415 276 1HD2 LEU 40 1HD2 LEU 40 -3.716 -4.300 2.328 277 2HD2 LEU 40 2HD2 LEU 40 -3.083 -3.712 0.789 278 3HD2 LEU 40 3HD2 LEU 40 -4.064 -2.653 1.801 279 H LYS 41 H LYS 41 0.960 -5.463 4.232 280 HA LYS 41 HA LYS 41 2.086 -7.382 2.460 281 1HB LYS 41 2HB LYS 41 3.382 -5.671 3.759 282 2HB LYS 41 1HB LYS 41 3.053 -6.595 5.220 283 1HG LYS 41 2HG LYS 41 5.176 -7.284 4.619 284 2HG LYS 41 1HG LYS 41 4.138 -8.553 3.969 285 1HD LYS 41 2HD LYS 41 4.218 -7.463 1.768 286 2HD LYS 41 1HD LYS 41 5.313 -6.245 2.430 287 1HE LYS 41 2HE LYS 41 6.535 -7.986 1.225 288 2HE LYS 41 1HE LYS 41 6.950 -7.970 2.937 289 1HZ LYS 41 1HZ LYS 41 5.007 -9.840 1.689 290 2HZ LYS 41 2HZ LYS 41 5.533 -9.858 3.301 291 3HZ LYS 41 3HZ LYS 41 6.621 -10.222 2.052 292 H ARG 42 H ARG 42 0.634 -7.503 5.631 293 HA ARG 42 HA ARG 42 1.295 -10.116 6.379 294 1HB ARG 42 2HB ARG 42 0.408 -8.274 7.822 295 2HB ARG 42 1HB ARG 42 -1.172 -8.539 7.113 296 1HG ARG 42 2HG ARG 42 -1.357 -10.679 8.113 297 2HG ARG 42 1HG ARG 42 0.337 -10.655 8.618 298 1HD ARG 42 2HD ARG 42 -0.084 -8.807 10.111 299 2HD ARG 42 1HD ARG 42 -1.744 -8.680 9.537 300 HE ARG 42 HE ARG 42 -1.517 -11.235 10.512 301 1HH1 ARG 42 1HH1 ARG 42 -0.917 -8.044 11.838 302 2HH1 ARG 42 2HH1 ARG 42 -1.470 -8.471 13.431 303 1HH2 ARG 42 1HH2 ARG 42 -2.223 -11.786 12.603 304 2HH2 ARG 42 2HH2 ARG 42 -2.218 -10.583 13.860 305 H GLU 43 H GLU 43 -1.508 -8.853 4.604 306 HA GLU 43 HA GLU 43 -2.742 -11.444 4.360 307 1HB GLU 43 2HB GLU 43 -3.775 -9.017 4.255 308 2HB GLU 43 1HB GLU 43 -3.390 -9.147 2.547 309 1HG GLU 43 2HG GLU 43 -5.112 -11.101 4.060 310 2HG GLU 43 1HG GLU 43 -5.725 -9.747 3.117 311 H GLY 44 H GLY 44 -0.767 -9.345 2.309 312 1HA GLY 44 2HA GLY 44 0.864 -10.527 0.885 313 2HA GLY 44 1HA GLY 44 -0.434 -11.634 0.466 314 H TYR 45 H TYR 45 -0.582 -8.110 0.692 315 HA TYR 45 HA TYR 45 -1.641 -8.035 -2.019 316 1HB TYR 45 2HB TYR 45 -1.528 -6.008 0.206 317 2HB TYR 45 1HB TYR 45 -1.999 -5.564 -1.430 318 HD1 TYR 45 HD1 TYR 45 -3.043 -7.134 1.659 319 HD2 TYR 45 HD2 TYR 45 -4.040 -6.565 -2.436 320 HE1 TYR 45 HE1 TYR 45 -5.350 -7.844 2.127 321 HE2 TYR 45 HE2 TYR 45 -6.349 -7.270 -1.981 322 HH TYR 45 HH TYR 45 -7.569 -7.612 1.190 323 H ILE 46 H ILE 46 1.270 -7.130 -0.285 324 HA ILE 46 HA ILE 46 2.410 -6.262 -2.822 325 HB ILE 46 HB ILE 46 3.549 -4.349 -1.352 326 1HG1 ILE 46 2HG1 ILE 46 1.628 -3.225 -0.075 327 2HG1 ILE 46 1HG1 ILE 46 0.840 -4.797 -0.101 328 1HG2 ILE 46 1HG2 ILE 46 0.873 -4.113 -2.717 329 2HG2 ILE 46 2HG2 ILE 46 2.457 -4.032 -3.490 330 3HG2 ILE 46 3HG2 ILE 46 1.962 -2.774 -2.354 331 1HD1 ILE 46 1HD1 ILE 46 2.780 -5.747 1.079 332 2HD1 ILE 46 2HD1 ILE 46 1.958 -4.481 1.993 333 3HD1 ILE 46 3HD1 ILE 46 3.474 -4.130 1.170 334 H ILE 47 H ILE 47 4.694 -6.186 -2.863 335 HA ILE 47 HA ILE 47 6.074 -7.456 -0.597 336 HB ILE 47 HB ILE 47 7.503 -8.704 -2.222 337 1HG1 ILE 47 2HG1 ILE 47 5.366 -7.918 -4.217 338 2HG1 ILE 47 1HG1 ILE 47 7.016 -7.305 -4.196 339 1HG2 ILE 47 1HG2 ILE 47 4.569 -9.384 -2.290 340 2HG2 ILE 47 2HG2 ILE 47 5.712 -9.834 -1.027 341 3HG2 ILE 47 3HG2 ILE 47 5.889 -10.495 -2.653 342 1HD1 ILE 47 1HD1 ILE 47 6.183 -10.156 -4.666 343 2HD1 ILE 47 2HD1 ILE 47 7.847 -9.576 -4.603 344 3HD1 ILE 47 3HD1 ILE 47 6.767 -9.018 -5.879 345 H GLY 48 H GLY 48 8.624 -7.329 -1.276 346 1HA GLY 48 2HA GLY 48 10.418 -5.937 -1.732 347 2HA GLY 48 1HA GLY 48 9.331 -4.909 -2.656 348 H VAL 49 H VAL 49 8.372 -5.694 0.508 349 HA VAL 49 HA VAL 49 8.708 -2.912 1.316 350 HB VAL 49 HB VAL 49 7.129 -5.163 2.576 351 1HG1 VAL 49 1HG1 VAL 49 7.874 -3.529 4.239 352 2HG1 VAL 49 2HG1 VAL 49 6.126 -3.477 3.999 353 3HG1 VAL 49 3HG1 VAL 49 7.154 -2.231 3.280 354 1HG2 VAL 49 1HG2 VAL 49 6.282 -2.807 0.902 355 2HG2 VAL 49 2HG2 VAL 49 5.177 -3.845 1.798 356 3HG2 VAL 49 3HG2 VAL 49 6.149 -4.518 0.490 357 H HIS 50 H HIS 50 10.353 -2.347 2.583 358 HA HIS 50 HA HIS 50 11.904 -4.457 3.865 359 1HB HIS 50 2HB HIS 50 12.981 -2.726 2.368 360 2HB HIS 50 1HB HIS 50 12.623 -1.534 3.612 361 HD1 HIS 50 HD1 HIS 50 13.987 -1.706 5.851 362 HD2 HIS 50 HD2 HIS 50 15.113 -4.421 2.907 363 HE1 HIS 50 HE1 HIS 50 16.181 -2.660 6.613 364 HE2 HIS 50 HE2 HIS 50 16.832 -4.335 4.841 365 H TYR 51 H TYR 51 11.211 -4.952 5.858 366 HA TYR 51 HA TYR 51 10.341 -2.940 7.736 367 1HB TYR 51 2HB TYR 51 10.903 -5.894 7.926 368 2HB TYR 51 1HB TYR 51 10.641 -4.930 9.373 369 HD1 TYR 51 HD1 TYR 51 8.509 -4.811 10.216 370 HD2 TYR 51 HD2 TYR 51 9.010 -5.571 6.058 371 HE1 TYR 51 HE1 TYR 51 6.078 -5.086 9.978 372 HE2 TYR 51 HE2 TYR 51 6.579 -5.846 5.813 373 HH TYR 51 HH TYR 51 4.372 -5.056 8.373 374 H SER 52 H SER 52 11.598 -1.943 9.287 375 HA SER 52 HA SER 52 14.443 -2.713 9.310 376 1HB SER 52 2HB SER 52 13.417 0.133 9.316 377 2HB SER 52 1HB SER 52 15.105 -0.378 9.306 378 HG SER 52 HG SER 52 14.760 -0.043 7.222 379 H ASP 53 H ASP 53 12.761 -0.094 10.935 380 HA ASP 53 HA ASP 53 13.477 -1.304 13.505 381 1HB ASP 53 2HB ASP 53 13.173 0.994 14.429 382 2HB ASP 53 1HB ASP 53 14.426 0.905 13.198 383 H ASP 54 H ASP 54 11.720 -2.751 13.463 384 HA ASP 54 HA ASP 54 9.700 -3.469 14.215 385 1HB ASP 54 2HB ASP 54 9.693 -1.990 16.039 386 2HB ASP 54 1HB ASP 54 9.472 -0.579 15.011 387 H ARG 55 H ARG 55 9.702 -0.730 12.013 388 HA ARG 55 HA ARG 55 7.050 -1.591 11.077 389 1HB ARG 55 2HB ARG 55 6.555 0.742 10.520 390 2HB ARG 55 1HB ARG 55 6.892 0.552 12.235 391 1HG ARG 55 2HG ARG 55 9.181 1.387 11.837 392 2HG ARG 55 1HG ARG 55 8.753 1.666 10.147 393 1HD ARG 55 2HD ARG 55 7.433 2.926 12.548 394 2HD ARG 55 1HD ARG 55 8.567 3.719 11.459 395 HE ARG 55 HE ARG 55 6.884 3.551 9.720 396 1HH1 ARG 55 1HH1 ARG 55 5.815 2.901 12.982 397 2HH1 ARG 55 2HH1 ARG 55 4.164 3.332 12.672 398 1HH2 ARG 55 1HH2 ARG 55 4.705 4.148 9.295 399 2HH2 ARG 55 2HH2 ARG 55 3.528 4.048 10.563 400 HA PRO 56 HA PRO 56 8.703 -1.895 6.975 401 1HB PRO 56 2HB PRO 56 6.480 -1.290 5.543 402 2HB PRO 56 1HB PRO 56 6.695 -2.838 6.368 403 1HG PRO 56 2HG PRO 56 5.156 -0.424 7.238 404 2HG PRO 56 1HG PRO 56 4.699 -2.136 7.328 405 1HD PRO 56 2HD PRO 56 5.646 -0.770 9.462 406 2HD PRO 56 1HD PRO 56 5.963 -2.501 9.220 407 H HIS 57 H HIS 57 9.652 -0.574 5.483 408 HA HIS 57 HA HIS 57 8.801 2.249 5.447 409 1HB HIS 57 2HB HIS 57 11.622 1.166 5.273 410 2HB HIS 57 1HB HIS 57 11.183 2.842 4.961 411 HD1 HIS 57 HD1 HIS 57 10.249 4.210 7.057 412 HD2 HIS 57 HD2 HIS 57 11.979 0.524 7.914 413 HE1 HIS 57 HE1 HIS 57 10.632 4.196 9.540 414 HE2 HIS 57 HE2 HIS 57 11.928 2.085 9.987 415 H LEU 58 H LEU 58 8.079 2.870 3.549 416 HA LEU 58 HA LEU 58 8.623 1.241 1.192 417 1HB LEU 58 2HB LEU 58 6.698 3.531 1.588 418 2HB LEU 58 1HB LEU 58 6.830 2.555 0.138 419 HG LEU 58 HG LEU 58 5.946 1.575 2.856 420 1HD1 LEU 58 1HD1 LEU 58 4.398 1.969 0.299 421 2HD1 LEU 58 2HD1 LEU 58 4.297 2.991 1.730 422 3HD1 LEU 58 3HD1 LEU 58 3.770 1.308 1.807 423 1HD2 LEU 58 1HD2 LEU 58 7.160 -0.149 1.624 424 2HD2 LEU 58 2HD2 LEU 58 6.130 0.120 0.217 425 3HD2 LEU 58 3HD2 LEU 58 5.437 -0.523 1.707 426 H TYR 59 H TYR 59 10.442 1.755 0.185 427 HA TYR 59 HA TYR 59 11.280 4.548 0.073 428 1HB TYR 59 2HB TYR 59 12.739 2.001 -0.659 429 2HB TYR 59 1HB TYR 59 13.426 3.617 -0.784 430 HD1 TYR 59 HD1 TYR 59 13.501 0.810 1.164 431 HD2 TYR 59 HD2 TYR 59 12.933 5.012 1.554 432 HE1 TYR 59 HE1 TYR 59 14.199 0.684 3.519 433 HE2 TYR 59 HE2 TYR 59 13.634 4.892 3.904 434 HH TYR 59 HH TYR 59 15.159 2.202 5.234 435 H LYS 60 H LYS 60 12.711 4.687 -2.203 436 HA LYS 60 HA LYS 60 10.689 5.349 -4.034 437 1HB LYS 60 2HB LYS 60 13.631 5.033 -4.628 438 2HB LYS 60 1HB LYS 60 12.469 5.993 -5.531 439 1HG LYS 60 2HG LYS 60 12.150 7.380 -3.471 440 2HG LYS 60 1HG LYS 60 13.505 6.505 -2.755 441 1HD LYS 60 2HD LYS 60 14.346 8.549 -3.674 442 2HD LYS 60 1HD LYS 60 14.897 7.224 -4.703 443 1HE LYS 60 2HE LYS 60 13.028 7.690 -6.243 444 2HE LYS 60 1HE LYS 60 12.561 9.058 -5.235 445 1HZ LYS 60 1HZ LYS 60 14.824 9.972 -5.654 446 2HZ LYS 60 2HZ LYS 60 13.839 9.882 -7.032 447 3HZ LYS 60 3HZ LYS 60 15.066 8.734 -6.790 448 H LEU 61 H LEU 61 13.097 2.731 -4.108 449 HA LEU 61 HA LEU 61 11.403 1.378 -6.100 450 1HB LEU 61 2HB LEU 61 14.412 1.263 -5.815 451 2HB LEU 61 1HB LEU 61 13.486 0.209 -6.861 452 HG LEU 61 HG LEU 61 12.661 2.415 -7.964 453 1HD1 LEU 61 1HD1 LEU 61 13.583 3.921 -6.273 454 2HD1 LEU 61 2HD1 LEU 61 14.264 4.243 -7.867 455 3HD1 LEU 61 3HD1 LEU 61 15.210 3.368 -6.662 456 1HD2 LEU 61 1HD2 LEU 61 14.588 2.393 -9.472 457 2HD2 LEU 61 2HD2 LEU 61 14.059 0.759 -9.072 458 3HD2 LEU 61 3HD2 LEU 61 15.495 1.435 -8.303 459 H GLY 62 H GLY 62 10.953 -0.769 -5.766 460 1HA GLY 62 2HA GLY 62 11.997 -2.762 -4.432 461 2HA GLY 62 1HA GLY 62 11.558 -1.747 -3.067 462 HA PRO 63 HA PRO 63 7.466 -3.167 -2.767 463 1HB PRO 63 2HB PRO 63 6.300 -0.581 -3.666 464 2HB PRO 63 1HB PRO 63 6.020 -1.488 -2.175 465 1HG PRO 63 2HG PRO 63 7.517 0.706 -2.155 466 2HG PRO 63 1HG PRO 63 7.969 -0.705 -1.180 467 1HD PRO 63 2HD PRO 63 9.100 0.248 -3.784 468 2HD PRO 63 1HD PRO 63 9.936 -0.438 -2.375 469 H GLU 64 H GLU 64 6.532 -4.561 -4.042 470 HA GLU 64 HA GLU 64 5.574 -3.729 -6.711 471 1HB GLU 64 2HB GLU 64 6.600 -6.442 -5.830 472 2HB GLU 64 1HB GLU 64 5.828 -6.130 -7.376 473 1HG GLU 64 2HG GLU 64 8.355 -4.788 -6.465 474 2HG GLU 64 1HG GLU 64 8.311 -6.256 -7.439 475 H LEU 65 H LEU 65 3.441 -4.302 -7.195 476 HA LEU 65 HA LEU 65 1.889 -5.274 -4.926 477 1HB LEU 65 2HB LEU 65 1.089 -4.084 -7.571 478 2HB LEU 65 1HB LEU 65 -0.077 -4.827 -6.493 479 HG LEU 65 HG LEU 65 0.836 -3.176 -4.720 480 1HD1 LEU 65 1HD1 LEU 65 1.676 -1.074 -5.643 481 2HD1 LEU 65 2HD1 LEU 65 1.727 -1.801 -7.248 482 3HD1 LEU 65 3HD1 LEU 65 2.776 -2.413 -5.969 483 1HD2 LEU 65 1HD2 LEU 65 -0.804 -2.188 -7.045 484 2HD2 LEU 65 2HD2 LEU 65 -0.745 -1.465 -5.436 485 3HD2 LEU 65 3HD2 LEU 65 -1.412 -3.084 -5.653 486 H THR 66 H THR 66 0.769 -7.163 -4.862 487 HA THR 66 HA THR 66 1.766 -9.243 -6.607 488 HB THR 66 HB THR 66 0.473 -10.759 -5.128 489 HG1 THR 66 HG1 THR 66 -0.466 -9.705 -3.213 490 1HG2 THR 66 1HG2 THR 66 2.177 -8.745 -3.653 491 2HG2 THR 66 2HG2 THR 66 2.768 -10.160 -4.522 492 3HG2 THR 66 3HG2 THR 66 1.770 -10.363 -3.082 493 H GLU 67 H GLU 67 0.033 -10.994 -7.161 494 HA GLU 67 HA GLU 67 -1.827 -10.130 -9.032 495 1HB GLU 67 2HB GLU 67 -1.015 -12.471 -8.757 496 2HB GLU 67 1HB GLU 67 -1.959 -12.606 -7.282 497 1HG GLU 67 2HG GLU 67 -3.241 -13.679 -8.895 498 2HG GLU 67 1HG GLU 67 -3.986 -12.091 -8.734 499 H LYS 68 H LYS 68 -2.232 -10.966 -5.621 500 HA LYS 68 HA LYS 68 -4.974 -10.510 -5.375 501 1HB LYS 68 2HB LYS 68 -3.544 -11.640 -3.686 502 2HB LYS 68 1HB LYS 68 -2.842 -10.084 -3.275 503 1HG LYS 68 2HG LYS 68 -4.518 -10.703 -1.654 504 2HG LYS 68 1HG LYS 68 -5.043 -9.286 -2.563 505 1HD LYS 68 2HD LYS 68 -6.415 -10.756 -3.997 506 2HD LYS 68 1HD LYS 68 -5.936 -12.133 -3.004 507 1HE LYS 68 2HE LYS 68 -7.410 -9.696 -2.011 508 2HE LYS 68 1HE LYS 68 -8.155 -11.247 -2.393 509 1HZ LYS 68 1HZ LYS 68 -6.766 -12.262 -0.667 510 2HZ LYS 68 2HZ LYS 68 -7.782 -11.061 -0.040 511 3HZ LYS 68 3HZ LYS 68 -6.130 -10.741 -0.268 512 H GLY 69 H GLY 69 -2.252 -8.299 -4.765 513 1HA GLY 69 2HA GLY 69 -3.838 -6.102 -3.960 514 2HA GLY 69 1HA GLY 69 -2.173 -6.020 -4.514 515 H GLU 70 H GLU 70 -2.418 -6.931 -7.107 516 HA GLU 70 HA GLU 70 -3.153 -4.567 -8.428 517 1HB GLU 70 2HB GLU 70 -1.462 -6.077 -9.303 518 2HB GLU 70 1HB GLU 70 -2.663 -7.342 -9.517 519 1HG GLU 70 2HG GLU 70 -3.771 -6.070 -11.226 520 2HG GLU 70 1HG GLU 70 -2.687 -4.705 -10.963 521 H ASN 71 H ASN 71 -4.834 -7.690 -8.171 522 HA ASN 71 HA ASN 71 -6.989 -6.883 -9.871 523 1HB ASN 71 2HB ASN 71 -6.771 -9.185 -7.917 524 2HB ASN 71 1HB ASN 71 -8.109 -8.951 -9.036 525 1HD2 ASN 71 1HD2 ASN 71 -6.132 -11.110 -8.780 526 2HD2 ASN 71 2HD2 ASN 71 -5.373 -11.238 -10.338 527 H TYR 72 H TYR 72 -6.355 -6.716 -6.450 528 HA TYR 72 HA TYR 72 -9.015 -6.303 -5.578 529 1HB TYR 72 2HB TYR 72 -6.982 -6.921 -4.160 530 2HB TYR 72 1HB TYR 72 -6.546 -5.218 -4.222 531 HD1 TYR 72 HD1 TYR 72 -7.557 -3.659 -2.756 532 HD2 TYR 72 HD2 TYR 72 -9.174 -7.579 -3.111 533 HE1 TYR 72 HE1 TYR 72 -9.006 -3.233 -0.814 534 HE2 TYR 72 HE2 TYR 72 -10.627 -7.161 -1.174 535 HH TYR 72 HH TYR 72 -10.696 -5.702 0.792 536 H LEU 73 H LEU 73 -6.535 -4.187 -6.839 537 HA LEU 73 HA LEU 73 -7.570 -1.699 -6.128 538 1HB LEU 73 2HB LEU 73 -6.127 -2.488 -8.660 539 2HB LEU 73 1HB LEU 73 -6.385 -0.839 -8.128 540 HG LEU 73 HG LEU 73 -4.749 -2.912 -6.663 541 1HD1 LEU 73 1HD1 LEU 73 -3.910 -0.502 -8.268 542 2HD1 LEU 73 2HD1 LEU 73 -3.677 -2.190 -8.721 543 3HD1 LEU 73 3HD1 LEU 73 -2.838 -1.529 -7.317 544 1HD2 LEU 73 1HD2 LEU 73 -5.769 -1.348 -5.122 545 2HD2 LEU 73 2HD2 LEU 73 -5.218 0.012 -6.101 546 3HD2 LEU 73 3HD2 LEU 73 -4.044 -1.008 -5.272 547 H LYS 74 H LYS 74 -8.384 -3.822 -8.828 548 HA LYS 74 HA LYS 74 -10.123 -2.017 -10.142 549 1HB LYS 74 2HB LYS 74 -9.189 -3.941 -11.302 550 2HB LYS 74 1HB LYS 74 -10.012 -5.040 -10.205 551 1HG LYS 74 2HG LYS 74 -11.166 -4.954 -12.320 552 2HG LYS 74 1HG LYS 74 -12.174 -4.247 -11.058 553 1HD LYS 74 2HD LYS 74 -11.441 -1.998 -11.788 554 2HD LYS 74 1HD LYS 74 -10.526 -2.752 -13.096 555 1HE LYS 74 2HE LYS 74 -12.670 -1.946 -13.913 556 2HE LYS 74 1HE LYS 74 -12.599 -3.706 -13.993 557 1HZ LYS 74 1HZ LYS 74 -13.906 -3.830 -11.972 558 2HZ LYS 74 2HZ LYS 74 -14.730 -2.913 -13.139 559 3HZ LYS 74 3HZ LYS 74 -13.941 -2.137 -11.854 560 H GLU 75 H GLU 75 -10.652 -4.542 -7.722 561 HA GLU 75 HA GLU 75 -13.474 -4.409 -7.757 562 1HB GLU 75 2HB GLU 75 -11.667 -5.285 -5.499 563 2HB GLU 75 1HB GLU 75 -13.383 -5.635 -5.645 564 1HG GLU 75 2HG GLU 75 -12.876 -6.874 -7.750 565 2HG GLU 75 1HG GLU 75 -11.161 -6.648 -7.400 566 H ASN 76 H ASN 76 -11.043 -2.903 -5.662 567 HA ASN 76 HA ASN 76 -13.119 -1.458 -4.218 568 1HB ASN 76 2HB ASN 76 -10.897 -2.535 -3.279 569 2HB ASN 76 1HB ASN 76 -10.186 -1.009 -3.782 570 1HD2 ASN 76 1HD2 ASN 76 -12.501 0.608 -3.154 571 2HD2 ASN 76 2HD2 ASN 76 -12.614 0.661 -1.429 572 H GLY 77 H GLY 77 -11.763 -1.038 -7.105 573 1HA GLY 77 2HA GLY 77 -10.818 1.532 -7.327 574 2HA GLY 77 1HA GLY 77 -11.785 0.739 -8.558 575 H THR 78 H THR 78 -14.184 0.541 -6.961 576 HA THR 78 HA THR 78 -15.117 3.263 -7.182 577 HB THR 78 HB THR 78 -16.633 1.574 -7.963 578 HG1 THR 78 HG1 THR 78 -18.099 2.052 -5.718 579 1HG2 THR 78 1HG2 THR 78 -16.552 0.379 -5.191 580 2HG2 THR 78 2HG2 THR 78 -15.858 -0.333 -6.647 581 3HG2 THR 78 3HG2 THR 78 -17.605 -0.139 -6.507 582 H TRP 79 H TRP 79 -14.054 4.390 -5.610 583 HA TRP 79 HA TRP 79 -14.781 3.800 -2.838 584 1HB TRP 79 2HB TRP 79 -12.642 2.693 -3.156 585 2HB TRP 79 1HB TRP 79 -11.954 4.147 -3.864 586 HD1 TRP 79 HD1 TRP 79 -13.352 2.968 -0.433 587 HE1 TRP 79 HE1 TRP 79 -12.053 4.218 1.408 588 HE3 TRP 79 HE3 TRP 79 -10.466 6.003 -3.376 589 HZ2 TRP 79 HZ2 TRP 79 -10.079 6.217 1.589 590 HZ3 TRP 79 HZ3 TRP 79 -8.899 7.552 -2.285 591 HH2 TRP 79 HH2 TRP 79 -8.711 7.655 0.145 592 H SER 80 H SER 80 -15.180 5.551 -1.659 593 HA SER 80 HA SER 80 -15.565 7.690 -1.049 594 1HB SER 80 2HB SER 80 -13.706 9.261 -1.211 595 2HB SER 80 1HB SER 80 -13.116 7.664 -0.760 596 HG SER 80 HG SER 80 -12.983 7.631 -3.325 597 H LYS 81 H LYS 81 -14.853 10.145 -2.309 598 HA LYS 81 HA LYS 81 -16.259 10.049 -4.857 599 1HB LYS 81 2HB LYS 81 -17.201 11.553 -2.423 600 2HB LYS 81 1HB LYS 81 -17.637 12.067 -4.049 601 1HG LYS 81 2HG LYS 81 -18.697 9.933 -4.474 602 2HG LYS 81 1HG LYS 81 -18.208 9.350 -2.882 603 1HD LYS 81 2HD LYS 81 -19.969 11.755 -3.314 604 2HD LYS 81 1HD LYS 81 -20.590 10.124 -3.059 605 1HE LYS 81 2HE LYS 81 -19.365 10.049 -0.902 606 2HE LYS 81 1HE LYS 81 -18.890 11.729 -1.152 607 1HZ LYS 81 1HZ LYS 81 -21.706 10.793 -1.037 608 2HZ LYS 81 2HZ LYS 81 -21.165 12.403 -1.086 609 3HZ LYS 81 3HZ LYS 81 -20.868 11.445 0.283 610 H ALA 82 H ALA 82 -16.565 12.723 -5.316 611 HA ALA 82 HA ALA 82 -13.925 13.326 -6.181 612 1HB ALA 82 1HB ALA 82 -15.891 13.785 -7.551 613 2HB ALA 82 2HB ALA 82 -14.930 15.240 -7.282 614 3HB ALA 82 3HB ALA 82 -16.426 14.992 -6.382 Start of MODEL 12 1 H LYS 5 H LYS 5 -9.477 0.587 4.610 2 HA LYS 5 HA LYS 5 -11.578 2.366 3.815 3 1HB LYS 5 2HB LYS 5 -10.882 4.132 5.510 4 2HB LYS 5 1HB LYS 5 -11.829 2.790 6.135 5 1HG LYS 5 2HG LYS 5 -9.786 1.738 6.969 6 2HG LYS 5 1HG LYS 5 -8.840 3.088 6.346 7 1HD LYS 5 2HD LYS 5 -10.121 4.609 7.815 8 2HD LYS 5 1HD LYS 5 -10.964 3.208 8.483 9 1HE LYS 5 2HE LYS 5 -8.791 2.287 9.206 10 2HE LYS 5 1HE LYS 5 -7.995 3.735 8.595 11 1HZ LYS 5 1HZ LYS 5 -9.981 3.599 10.798 12 2HZ LYS 5 2HZ LYS 5 -9.343 5.041 10.170 13 3HZ LYS 5 3HZ LYS 5 -8.322 3.927 10.945 14 H LEU 6 H LEU 6 -8.151 1.869 4.585 15 HA LEU 6 HA LEU 6 -7.473 4.056 2.759 16 1HB LEU 6 2HB LEU 6 -5.961 2.701 4.943 17 2HB LEU 6 1HB LEU 6 -5.090 3.534 3.672 18 HG LEU 6 HG LEU 6 -5.220 5.167 5.280 19 1HD1 LEU 6 1HD1 LEU 6 -6.109 6.066 3.225 20 2HD1 LEU 6 2HD1 LEU 6 -6.921 6.803 4.606 21 3HD1 LEU 6 3HD1 LEU 6 -7.737 5.549 3.669 22 1HD2 LEU 6 1HD2 LEU 6 -8.044 4.335 5.922 23 2HD2 LEU 6 2HD2 LEU 6 -7.100 5.579 6.745 24 3HD2 LEU 6 3HD2 LEU 6 -6.605 3.888 6.840 25 H ARG 7 H ARG 7 -7.682 0.668 2.611 26 HA ARG 7 HA ARG 7 -5.235 -0.043 1.454 27 1HB ARG 7 2HB ARG 7 -7.956 -1.266 0.978 28 2HB ARG 7 1HB ARG 7 -6.444 -1.967 0.418 29 1HG ARG 7 2HG ARG 7 -5.697 -2.166 2.754 30 2HG ARG 7 1HG ARG 7 -7.251 -1.514 3.285 31 1HD ARG 7 2HD ARG 7 -8.301 -3.416 1.931 32 2HD ARG 7 1HD ARG 7 -6.687 -4.121 1.899 33 HE ARG 7 HE ARG 7 -6.994 -3.755 4.507 34 1HH1 ARG 7 1HH1 ARG 7 -9.340 -4.914 2.168 35 2HH1 ARG 7 2HH1 ARG 7 -10.111 -5.992 3.296 36 1HH2 ARG 7 1HH2 ARG 7 -8.060 -5.140 5.998 37 2HH2 ARG 7 2HH2 ARG 7 -9.377 -6.130 5.450 38 H TYR 8 H TYR 8 -8.234 0.976 -0.126 39 HA TYR 8 HA TYR 8 -7.445 0.740 -2.776 40 1HB TYR 8 2HB TYR 8 -9.748 1.256 -2.080 41 2HB TYR 8 1HB TYR 8 -9.236 2.858 -1.562 42 HD1 TYR 8 HD1 TYR 8 -9.165 4.650 -3.098 43 HD2 TYR 8 HD2 TYR 8 -9.539 0.663 -4.538 44 HE1 TYR 8 HE1 TYR 8 -9.616 5.511 -5.362 45 HE2 TYR 8 HE2 TYR 8 -9.990 1.512 -6.793 46 HH TYR 8 HH TYR 8 -10.858 3.571 -7.842 47 H ALA 9 H ALA 9 -7.295 3.643 -0.736 48 HA ALA 9 HA ALA 9 -6.090 5.282 -2.667 49 1HB ALA 9 1HB ALA 9 -6.032 5.558 0.335 50 2HB ALA 9 2HB ALA 9 -7.294 6.165 -0.740 51 3HB ALA 9 3HB ALA 9 -5.661 6.829 -0.831 52 H ILE 10 H ILE 10 -4.661 3.358 -0.034 53 HA ILE 10 HA ILE 10 -2.025 4.266 -0.345 54 HB ILE 10 HB ILE 10 -2.979 1.560 0.614 55 1HG1 ILE 10 2HG1 ILE 10 -2.195 4.070 2.117 56 2HG1 ILE 10 1HG1 ILE 10 -3.826 3.428 1.955 57 1HG2 ILE 10 1HG2 ILE 10 -0.644 1.466 -0.077 58 2HG2 ILE 10 2HG2 ILE 10 -0.782 1.355 1.677 59 3HG2 ILE 10 3HG2 ILE 10 -0.278 2.869 0.926 60 1HD1 ILE 10 1HD1 ILE 10 -1.534 2.082 3.367 61 2HD1 ILE 10 2HD1 ILE 10 -3.174 1.451 3.217 62 3HD1 ILE 10 3HD1 ILE 10 -2.880 2.928 4.135 63 H LEU 11 H LEU 11 -3.675 1.470 -1.792 64 HA LEU 11 HA LEU 11 -1.444 0.422 -3.107 65 1HB LEU 11 2HB LEU 11 -4.363 0.066 -3.275 66 2HB LEU 11 1HB LEU 11 -3.474 -0.363 -4.726 67 HG LEU 11 HG LEU 11 -2.115 -1.951 -3.447 68 1HD1 LEU 11 1HD1 LEU 11 -2.092 -0.851 -1.295 69 2HD1 LEU 11 2HD1 LEU 11 -2.706 -2.497 -1.130 70 3HD1 LEU 11 3HD1 LEU 11 -3.823 -1.131 -1.105 71 1HD2 LEU 11 1HD2 LEU 11 -3.851 -3.600 -2.986 72 2HD2 LEU 11 2HD2 LEU 11 -4.188 -2.724 -4.480 73 3HD2 LEU 11 3HD2 LEU 11 -5.075 -2.329 -3.008 74 H LYS 12 H LYS 12 -3.906 2.710 -4.341 75 HA LYS 12 HA LYS 12 -2.665 2.728 -6.923 76 1HB LYS 12 2HB LYS 12 -4.259 4.651 -7.391 77 2HB LYS 12 1HB LYS 12 -4.966 3.086 -7.030 78 1HG LYS 12 2HG LYS 12 -6.298 4.495 -5.825 79 2HG LYS 12 1HG LYS 12 -5.127 3.997 -4.610 80 1HD LYS 12 2HD LYS 12 -5.476 6.361 -4.410 81 2HD LYS 12 1HD LYS 12 -3.858 6.094 -5.063 82 1HE LYS 12 2HE LYS 12 -5.962 6.380 -7.088 83 2HE LYS 12 1HE LYS 12 -5.706 7.815 -6.097 84 1HZ LYS 12 1HZ LYS 12 -3.700 6.399 -7.768 85 2HZ LYS 12 2HZ LYS 12 -3.301 7.607 -6.640 86 3HZ LYS 12 3HZ LYS 12 -4.288 7.977 -7.965 87 H GLU 13 H GLU 13 -2.306 4.671 -4.040 88 HA GLU 13 HA GLU 13 -0.873 6.759 -5.400 89 1HB GLU 13 2HB GLU 13 -1.127 6.066 -2.475 90 2HB GLU 13 1HB GLU 13 -0.178 7.424 -3.062 91 1HG GLU 13 2HG GLU 13 -3.135 7.042 -3.496 92 2HG GLU 13 1HG GLU 13 -2.404 8.102 -2.294 93 H ILE 14 H ILE 14 -0.048 3.717 -3.875 94 HA ILE 14 HA ILE 14 2.783 4.127 -4.027 95 HB ILE 14 HB ILE 14 1.133 1.610 -3.773 96 1HG1 ILE 14 2HG1 ILE 14 2.902 3.098 -1.817 97 2HG1 ILE 14 1HG1 ILE 14 1.141 3.084 -1.812 98 1HG2 ILE 14 1HG2 ILE 14 3.192 1.057 -4.946 99 2HG2 ILE 14 2HG2 ILE 14 3.226 0.418 -3.303 100 3HG2 ILE 14 3HG2 ILE 14 4.139 1.873 -3.702 101 1HD1 ILE 14 1HD1 ILE 14 2.939 0.721 -1.332 102 2HD1 ILE 14 2HD1 ILE 14 1.178 0.675 -1.367 103 3HD1 ILE 14 3HD1 ILE 14 2.012 1.600 -0.118 104 H PHE 15 H PHE 15 0.391 2.436 -6.013 105 HA PHE 15 HA PHE 15 2.073 1.380 -7.960 106 1HB PHE 15 2HB PHE 15 -0.354 0.855 -7.602 107 2HB PHE 15 1HB PHE 15 -0.753 2.387 -8.370 108 HD1 PHE 15 HD1 PHE 15 0.613 -0.977 -8.897 109 HD2 PHE 15 HD2 PHE 15 -0.658 2.635 -10.743 110 HE1 PHE 15 HE1 PHE 15 0.610 -2.108 -11.084 111 HE2 PHE 15 HE2 PHE 15 -0.665 1.518 -12.936 112 HZ PHE 15 HZ PHE 15 -0.029 -0.859 -13.108 113 H GLU 16 H GLU 16 0.326 4.482 -7.968 114 HA GLU 16 HA GLU 16 1.562 5.243 -10.476 115 1HB GLU 16 2HB GLU 16 -0.333 6.732 -8.653 116 2HB GLU 16 1HB GLU 16 0.190 7.290 -10.237 117 1HG GLU 16 2HG GLU 16 -0.923 5.508 -11.329 118 2HG GLU 16 1HG GLU 16 -1.232 4.683 -9.804 119 H GLY 17 H GLY 17 1.963 5.892 -7.075 120 1HA GLY 17 2HA GLY 17 3.415 8.333 -7.392 121 2HA GLY 17 1HA GLY 17 3.279 7.386 -5.918 122 H ASN 18 H ASN 18 4.305 4.971 -7.366 123 HA ASN 18 HA ASN 18 6.245 3.942 -7.980 124 1HB ASN 18 2HB ASN 18 6.557 5.786 -9.600 125 2HB ASN 18 1HB ASN 18 7.360 6.734 -8.357 126 1HD2 ASN 18 1HD2 ASN 18 7.756 3.274 -8.989 127 2HD2 ASN 18 2HD2 ASN 18 9.418 3.377 -9.443 128 H THR 19 H THR 19 5.813 5.838 -5.342 129 HA THR 19 HA THR 19 6.703 6.069 -3.295 130 HB THR 19 HB THR 19 8.006 4.168 -2.346 131 HG1 THR 19 HG1 THR 19 8.451 3.582 -4.908 132 1HG2 THR 19 1HG2 THR 19 6.169 2.549 -2.481 133 2HG2 THR 19 2HG2 THR 19 5.490 3.434 -3.847 134 3HG2 THR 19 3HG2 THR 19 5.574 4.193 -2.256 135 HA PRO 20 HA PRO 20 8.111 5.644 -1.306 136 1HB PRO 20 2HB PRO 20 9.302 7.997 -0.071 137 2HB PRO 20 1HB PRO 20 9.584 6.292 0.283 138 1HG PRO 20 2HG PRO 20 11.459 7.887 -0.854 139 2HG PRO 20 1HG PRO 20 11.349 6.145 -1.174 140 1HD PRO 20 2HD PRO 20 10.366 8.442 -2.833 141 2HD PRO 20 1HD PRO 20 11.214 6.964 -3.343 142 H LEU 21 H LEU 21 6.544 6.662 0.095 143 HA LEU 21 HA LEU 21 5.873 9.436 -0.365 144 1HB LEU 21 2HB LEU 21 3.548 9.133 -0.750 145 2HB LEU 21 1HB LEU 21 4.391 8.148 -1.925 146 HG LEU 21 HG LEU 21 3.271 6.970 0.613 147 1HD1 LEU 21 1HD1 LEU 21 1.298 6.335 -0.688 148 2HD1 LEU 21 2HD1 LEU 21 1.897 7.274 -2.055 149 3HD1 LEU 21 3HD1 LEU 21 1.449 8.086 -0.556 150 1HD2 LEU 21 1HD2 LEU 21 3.275 4.915 -0.721 151 2HD2 LEU 21 2HD2 LEU 21 4.890 5.609 -0.591 152 3HD2 LEU 21 3HD2 LEU 21 3.965 5.802 -2.081 153 H SER 22 H SER 22 5.509 10.394 1.524 154 HA SER 22 HA SER 22 5.651 8.776 3.909 155 1HB SER 22 2HB SER 22 5.236 11.759 3.830 156 2HB SER 22 1HB SER 22 6.069 10.797 5.052 157 HG SER 22 HG SER 22 6.927 11.559 2.475 158 H GLU 23 H GLU 23 4.176 9.352 5.766 159 HA GLU 23 HA GLU 23 1.478 8.915 5.170 160 1HB GLU 23 2HB GLU 23 1.047 9.477 7.533 161 2HB GLU 23 1HB GLU 23 2.426 8.403 7.365 162 1HG GLU 23 2HG GLU 23 2.545 11.372 7.868 163 2HG GLU 23 1HG GLU 23 2.809 10.105 9.061 164 H ASN 24 H ASN 24 3.314 11.865 5.667 165 HA ASN 24 HA ASN 24 1.143 13.680 5.610 166 1HB ASN 24 2HB ASN 24 3.473 14.171 6.442 167 2HB ASN 24 1HB ASN 24 4.000 14.214 4.763 168 1HD2 ASN 24 1HD2 ASN 24 3.499 15.967 3.496 169 2HD2 ASN 24 2HD2 ASN 24 2.785 17.414 4.133 170 H ASP 25 H ASP 25 2.937 12.020 3.136 171 HA ASP 25 HA ASP 25 2.121 13.733 0.979 172 1HB ASP 25 2HB ASP 25 3.380 10.987 1.013 173 2HB ASP 25 1HB ASP 25 2.962 11.834 -0.471 174 H ILE 26 H ILE 26 1.205 10.508 2.120 175 HA ILE 26 HA ILE 26 -0.757 10.193 0.061 176 HB ILE 26 HB ILE 26 0.434 8.268 0.972 177 1HG1 ILE 26 2HG1 ILE 26 -2.546 8.185 1.483 178 2HG1 ILE 26 1HG1 ILE 26 -1.746 7.907 -0.062 179 1HG2 ILE 26 1HG2 ILE 26 0.685 8.952 3.269 180 2HG2 ILE 26 2HG2 ILE 26 -0.130 7.389 3.199 181 3HG2 ILE 26 3HG2 ILE 26 -1.058 8.853 3.517 182 1HD1 ILE 26 1HD1 ILE 26 -1.432 6.203 2.394 183 2HD1 ILE 26 2HD1 ILE 26 -0.694 5.914 0.818 184 3HD1 ILE 26 3HD1 ILE 26 -2.445 5.827 1.001 185 H GLY 27 H GLY 27 -0.811 11.310 3.390 186 1HA GLY 27 2HA GLY 27 -2.493 12.915 4.009 187 2HA GLY 27 1HA GLY 27 -3.618 12.087 2.942 188 H VAL 28 H VAL 28 -1.515 10.451 5.231 189 HA VAL 28 HA VAL 28 -3.775 10.039 7.052 190 HB VAL 28 HB VAL 28 -3.325 7.658 7.281 191 1HG1 VAL 28 1HG1 VAL 28 -3.753 8.430 4.401 192 2HG1 VAL 28 2HG1 VAL 28 -4.995 8.298 5.647 193 3HG1 VAL 28 3HG1 VAL 28 -4.129 6.859 5.110 194 1HG2 VAL 28 1HG2 VAL 28 -0.942 7.667 6.762 195 2HG2 VAL 28 2HG2 VAL 28 -1.305 8.004 5.068 196 3HG2 VAL 28 3HG2 VAL 28 -1.800 6.474 5.790 197 H THR 29 H THR 29 -2.937 8.938 9.125 198 HA THR 29 HA THR 29 -0.481 10.241 9.921 199 HB THR 29 HB THR 29 -2.172 10.367 11.547 200 HG1 THR 29 HG1 THR 29 -0.513 10.056 12.822 201 1HG2 THR 29 1HG2 THR 29 -3.619 8.566 10.817 202 2HG2 THR 29 2HG2 THR 29 -3.274 8.392 12.538 203 3HG2 THR 29 3HG2 THR 29 -2.441 7.373 11.363 204 H GLU 30 H GLU 30 1.088 9.015 11.226 205 HA GLU 30 HA GLU 30 2.330 7.021 9.671 206 1HB GLU 30 2HB GLU 30 2.804 7.443 12.617 207 2HB GLU 30 1HB GLU 30 3.945 6.872 11.411 208 1HG GLU 30 2HG GLU 30 3.985 9.074 10.388 209 2HG GLU 30 1HG GLU 30 2.805 9.646 11.570 210 H ASP 31 H ASP 31 0.349 6.901 12.554 211 HA ASP 31 HA ASP 31 0.809 4.237 13.281 212 1HB ASP 31 2HB ASP 31 -0.163 5.821 14.823 213 2HB ASP 31 1HB ASP 31 -1.568 6.025 13.781 214 H GLN 32 H GLN 32 -1.954 5.636 11.520 215 HA GLN 32 HA GLN 32 -3.135 3.116 10.959 216 1HB GLN 32 2HB GLN 32 -3.576 5.837 9.722 217 2HB GLN 32 1HB GLN 32 -4.554 4.422 9.359 218 1HG GLN 32 2HG GLN 32 -4.228 5.620 12.101 219 2HG GLN 32 1HG GLN 32 -5.585 5.931 11.018 220 1HE2 GLN 32 1HE2 GLN 32 -4.065 3.632 13.143 221 2HE2 GLN 32 2HE2 GLN 32 -5.375 2.494 13.168 222 H PHE 33 H PHE 33 -0.698 5.014 9.409 223 HA PHE 33 HA PHE 33 -0.725 3.747 6.874 224 1HB PHE 33 2HB PHE 33 0.460 5.884 7.360 225 2HB PHE 33 1HB PHE 33 1.614 4.993 8.346 226 HD1 PHE 33 HD1 PHE 33 0.313 5.362 4.897 227 HD2 PHE 33 HD2 PHE 33 3.482 3.971 7.379 228 HE1 PHE 33 HE1 PHE 33 1.705 4.988 2.905 229 HE2 PHE 33 HE2 PHE 33 4.876 3.590 5.388 230 HZ PHE 33 HZ PHE 33 3.990 4.099 3.149 231 H ASP 34 H ASP 34 1.334 3.248 9.737 232 HA ASP 34 HA ASP 34 2.629 0.909 8.963 233 1HB ASP 34 2HB ASP 34 3.202 2.190 10.991 234 2HB ASP 34 1HB ASP 34 1.684 1.704 11.733 235 H ASP 35 H ASP 35 -0.407 1.339 10.681 236 HA ASP 35 HA ASP 35 -1.127 -1.274 11.187 237 1HB ASP 35 2HB ASP 35 -2.324 0.657 12.081 238 2HB ASP 35 1HB ASP 35 -2.893 1.075 10.469 239 H ALA 36 H ALA 36 -2.110 0.676 8.365 240 HA ALA 36 HA ALA 36 -3.505 -1.480 7.149 241 1HB ALA 36 1HB ALA 36 -3.761 0.010 5.239 242 2HB ALA 36 2HB ALA 36 -2.573 1.115 5.932 243 3HB ALA 36 3HB ALA 36 -4.111 0.847 6.751 244 H VAL 37 H VAL 37 -0.324 0.002 6.511 245 HA VAL 37 HA VAL 37 0.259 -1.512 4.210 246 HB VAL 37 HB VAL 37 2.138 -0.210 6.189 247 1HG1 VAL 37 1HG1 VAL 37 3.873 -0.430 4.473 248 2HG1 VAL 37 2HG1 VAL 37 2.763 -1.369 3.473 249 3HG1 VAL 37 3HG1 VAL 37 3.309 -2.007 5.025 250 1HG2 VAL 37 1HG2 VAL 37 0.677 1.327 4.981 251 2HG2 VAL 37 2HG2 VAL 37 1.202 0.631 3.448 252 3HG2 VAL 37 3HG2 VAL 37 2.352 1.503 4.461 253 H ASN 38 H ASN 38 1.019 -2.105 7.631 254 HA ASN 38 HA ASN 38 2.469 -4.492 7.161 255 1HB ASN 38 2HB ASN 38 1.341 -3.127 9.534 256 2HB ASN 38 1HB ASN 38 1.604 -4.861 9.689 257 1HD2 ASN 38 1HD2 ASN 38 2.953 -2.473 10.876 258 2HD2 ASN 38 2HD2 ASN 38 4.634 -2.718 10.537 259 H PHE 39 H PHE 39 -0.946 -3.823 7.699 260 HA PHE 39 HA PHE 39 -1.746 -6.537 7.927 261 1HB PHE 39 2HB PHE 39 -3.135 -4.582 8.639 262 2HB PHE 39 1HB PHE 39 -3.400 -4.204 6.939 263 HD1 PHE 39 HD1 PHE 39 -4.091 -6.594 9.628 264 HD2 PHE 39 HD2 PHE 39 -4.916 -5.479 5.607 265 HE1 PHE 39 HE1 PHE 39 -5.999 -8.145 9.596 266 HE2 PHE 39 HE2 PHE 39 -6.831 -7.019 5.570 267 HZ PHE 39 HZ PHE 39 -7.374 -8.358 7.566 268 H LEU 40 H LEU 40 -1.529 -4.277 5.202 269 HA LEU 40 HA LEU 40 -2.508 -6.003 3.206 270 1HB LEU 40 2HB LEU 40 -0.509 -3.751 3.036 271 2HB LEU 40 1HB LEU 40 -1.202 -4.553 1.639 272 HG LEU 40 HG LEU 40 -2.838 -3.090 3.711 273 1HD1 LEU 40 1HD1 LEU 40 -1.340 -1.536 2.576 274 2HD1 LEU 40 2HD1 LEU 40 -3.011 -1.293 2.067 275 3HD1 LEU 40 3HD1 LEU 40 -1.883 -2.144 1.011 276 1HD2 LEU 40 1HD2 LEU 40 -4.582 -3.190 1.998 277 2HD2 LEU 40 2HD2 LEU 40 -4.053 -4.803 2.480 278 3HD2 LEU 40 3HD2 LEU 40 -3.501 -4.114 0.952 279 H LYS 41 H LYS 41 0.700 -5.549 4.563 280 HA LYS 41 HA LYS 41 2.057 -7.315 2.791 281 1HB LYS 41 2HB LYS 41 3.094 -5.511 4.233 282 2HB LYS 41 1HB LYS 41 2.849 -6.569 5.615 283 1HG LYS 41 2HG LYS 41 4.275 -8.262 4.530 284 2HG LYS 41 1HG LYS 41 4.573 -7.125 3.213 285 1HD LYS 41 2HD LYS 41 6.423 -6.792 4.565 286 2HD LYS 41 1HD LYS 41 5.331 -5.523 5.120 287 1HE LYS 41 2HE LYS 41 5.612 -8.223 6.436 288 2HE LYS 41 1HE LYS 41 6.481 -6.781 6.949 289 1HZ LYS 41 1HZ LYS 41 4.470 -7.228 8.265 290 2HZ LYS 41 2HZ LYS 41 3.524 -7.023 6.877 291 3HZ LYS 41 3HZ LYS 41 4.416 -5.721 7.492 292 H ARG 42 H ARG 42 0.117 -7.733 5.608 293 HA ARG 42 HA ARG 42 1.138 -10.231 6.490 294 1HB ARG 42 2HB ARG 42 -0.347 -8.441 7.695 295 2HB ARG 42 1HB ARG 42 -1.679 -9.346 6.991 296 1HG ARG 42 2HG ARG 42 -0.865 -11.375 8.120 297 2HG ARG 42 1HG ARG 42 0.420 -10.424 8.868 298 1HD ARG 42 2HD ARG 42 -1.448 -8.923 9.751 299 2HD ARG 42 1HD ARG 42 -2.546 -10.220 9.287 300 HE ARG 42 HE ARG 42 -0.371 -10.524 11.258 301 1HH1 ARG 42 1HH1 ARG 42 -3.526 -11.401 10.029 302 2HH1 ARG 42 2HH1 ARG 42 -3.978 -12.287 11.457 303 1HH2 ARG 42 1HH2 ARG 42 -0.949 -11.692 13.122 304 2HH2 ARG 42 2HH2 ARG 42 -2.510 -12.453 13.219 305 H GLU 43 H GLU 43 -1.867 -9.386 4.719 306 HA GLU 43 HA GLU 43 -2.375 -12.163 4.115 307 1HB GLU 43 2HB GLU 43 -3.737 -9.666 3.098 308 2HB GLU 43 1HB GLU 43 -4.279 -11.306 2.784 309 1HG GLU 43 2HG GLU 43 -4.459 -11.571 5.300 310 2HG GLU 43 1HG GLU 43 -4.258 -9.820 5.387 311 H GLY 44 H GLY 44 -0.669 -9.578 2.651 312 1HA GLY 44 2HA GLY 44 0.907 -9.908 0.937 313 2HA GLY 44 1HA GLY 44 0.054 -11.369 0.465 314 H TYR 45 H TYR 45 -0.825 -7.925 0.784 315 HA TYR 45 HA TYR 45 -2.035 -8.044 -1.883 316 1HB TYR 45 2HB TYR 45 -2.074 -5.860 0.215 317 2HB TYR 45 1HB TYR 45 -2.859 -5.746 -1.354 318 HD1 TYR 45 HD1 TYR 45 -4.932 -6.916 -1.789 319 HD2 TYR 45 HD2 TYR 45 -2.950 -7.339 1.946 320 HE1 TYR 45 HE1 TYR 45 -6.954 -7.945 -0.838 321 HE2 TYR 45 HE2 TYR 45 -4.962 -8.364 2.903 322 HH TYR 45 HH TYR 45 -7.180 -8.685 2.593 323 H ILE 46 H ILE 46 0.584 -6.606 -0.089 324 HA ILE 46 HA ILE 46 1.866 -5.868 -2.599 325 HB ILE 46 HB ILE 46 2.778 -3.786 -1.357 326 1HG1 ILE 46 2HG1 ILE 46 0.863 -2.775 0.072 327 2HG1 ILE 46 1HG1 ILE 46 0.340 -4.440 0.283 328 1HG2 ILE 46 1HG2 ILE 46 0.931 -2.409 -2.208 329 2HG2 ILE 46 2HG2 ILE 46 -0.044 -3.865 -2.409 330 3HG2 ILE 46 3HG2 ILE 46 1.432 -3.654 -3.352 331 1HD1 ILE 46 1HD1 ILE 46 2.517 -4.982 1.267 332 2HD1 ILE 46 2HD1 ILE 46 1.676 -3.714 2.158 333 3HD1 ILE 46 3HD1 ILE 46 3.009 -3.299 1.081 334 H ILE 47 H ILE 47 4.144 -5.831 -2.506 335 HA ILE 47 HA ILE 47 5.355 -6.866 -0.043 336 HB ILE 47 HB ILE 47 6.758 -8.446 -1.260 337 1HG1 ILE 47 2HG1 ILE 47 6.603 -7.222 -3.484 338 2HG1 ILE 47 1HG1 ILE 47 6.535 -8.978 -3.556 339 1HG2 ILE 47 1HG2 ILE 47 3.820 -8.911 -1.725 340 2HG2 ILE 47 2HG2 ILE 47 4.725 -9.275 -0.255 341 3HG2 ILE 47 3HG2 ILE 47 5.070 -10.156 -1.745 342 1HD1 ILE 47 1HD1 ILE 47 4.950 -7.963 -5.086 343 2HD1 ILE 47 2HD1 ILE 47 4.182 -7.112 -3.746 344 3HD1 ILE 47 3HD1 ILE 47 4.113 -8.872 -3.826 345 H GLY 48 H GLY 48 7.908 -6.969 -0.549 346 1HA GLY 48 2HA GLY 48 9.806 -5.853 -1.304 347 2HA GLY 48 1HA GLY 48 8.778 -4.772 -2.236 348 H VAL 49 H VAL 49 7.552 -4.968 0.817 349 HA VAL 49 HA VAL 49 8.216 -2.311 1.490 350 HB VAL 49 HB VAL 49 7.193 -4.460 3.361 351 1HG1 VAL 49 1HG1 VAL 49 7.051 -1.450 3.496 352 2HG1 VAL 49 2HG1 VAL 49 8.008 -2.507 4.537 353 3HG1 VAL 49 3HG1 VAL 49 6.246 -2.559 4.609 354 1HG2 VAL 49 1HG2 VAL 49 5.760 -4.289 1.397 355 2HG2 VAL 49 2HG2 VAL 49 5.647 -2.543 1.615 356 3HG2 VAL 49 3HG2 VAL 49 4.951 -3.628 2.818 357 H HIS 50 H HIS 50 10.155 -1.639 2.084 358 HA HIS 50 HA HIS 50 12.109 -3.466 3.151 359 1HB HIS 50 2HB HIS 50 12.151 -0.557 2.391 360 2HB HIS 50 1HB HIS 50 13.487 -1.274 3.284 361 HD1 HIS 50 HD1 HIS 50 11.568 -2.726 0.316 362 HD2 HIS 50 HD2 HIS 50 15.405 -1.541 1.410 363 HE1 HIS 50 HE1 HIS 50 13.046 -3.324 -1.626 364 HE2 HIS 50 HE2 HIS 50 15.353 -2.543 -0.973 365 H TYR 51 H TYR 51 12.040 -4.015 5.191 366 HA TYR 51 HA TYR 51 10.805 -2.218 7.123 367 1HB TYR 51 2HB TYR 51 10.672 -4.961 6.748 368 2HB TYR 51 1HB TYR 51 11.746 -4.793 8.133 369 HD1 TYR 51 HD1 TYR 51 8.369 -4.156 6.854 370 HD2 TYR 51 HD2 TYR 51 10.923 -4.001 10.254 371 HE1 TYR 51 HE1 TYR 51 6.414 -3.815 8.299 372 HE2 TYR 51 HE2 TYR 51 8.973 -3.658 11.710 373 HH TYR 51 HH TYR 51 6.738 -2.964 11.657 374 H SER 52 H SER 52 11.950 -1.087 8.565 375 HA SER 52 HA SER 52 14.824 -1.598 8.765 376 1HB SER 52 2HB SER 52 13.182 0.702 9.862 377 2HB SER 52 1HB SER 52 14.942 0.603 9.821 378 HG SER 52 HG SER 52 14.359 0.212 7.377 379 H ASP 53 H ASP 53 12.667 -3.242 9.949 380 HA ASP 53 HA ASP 53 12.284 -4.507 11.777 381 1HB ASP 53 2HB ASP 53 14.728 -4.546 12.099 382 2HB ASP 53 1HB ASP 53 14.617 -3.067 13.052 383 H ASP 54 H ASP 54 13.105 -1.204 12.743 384 HA ASP 54 HA ASP 54 11.246 -1.037 14.866 385 1HB ASP 54 2HB ASP 54 13.045 0.542 14.792 386 2HB ASP 54 1HB ASP 54 12.589 1.078 13.178 387 H ARG 55 H ARG 55 11.102 0.388 11.610 388 HA ARG 55 HA ARG 55 8.223 -0.073 11.556 389 1HB ARG 55 2HB ARG 55 9.558 2.614 11.267 390 2HB ARG 55 1HB ARG 55 7.989 2.287 10.546 391 1HG ARG 55 2HG ARG 55 7.158 1.665 12.805 392 2HG ARG 55 1HG ARG 55 8.705 2.205 13.460 393 1HD ARG 55 2HD ARG 55 8.322 4.438 12.724 394 2HD ARG 55 1HD ARG 55 6.899 3.946 11.802 395 HE ARG 55 HE ARG 55 6.780 3.398 14.632 396 1HH1 ARG 55 1HH1 ARG 55 6.092 5.712 12.109 397 2HH1 ARG 55 2HH1 ARG 55 4.797 6.466 12.985 398 1HH2 ARG 55 1HH2 ARG 55 5.088 4.387 15.794 399 2HH2 ARG 55 2HH2 ARG 55 4.208 5.706 15.075 400 HA PRO 56 HA PRO 56 8.999 -0.856 7.237 401 1HB PRO 56 2HB PRO 56 6.441 0.167 6.397 402 2HB PRO 56 1HB PRO 56 6.922 -1.514 6.625 403 1HG PRO 56 2HG PRO 56 5.083 -0.202 8.192 404 2HG PRO 56 1HG PRO 56 6.014 -1.617 8.717 405 1HD PRO 56 2HD PRO 56 6.467 1.279 9.304 406 2HD PRO 56 1HD PRO 56 6.675 -0.132 10.361 407 H HIS 57 H HIS 57 9.980 0.217 5.616 408 HA HIS 57 HA HIS 57 9.243 3.026 5.167 409 1HB HIS 57 2HB HIS 57 12.023 1.875 5.383 410 2HB HIS 57 1HB HIS 57 11.696 3.415 4.597 411 HD1 HIS 57 HD1 HIS 57 11.123 5.418 6.090 412 HD2 HIS 57 HD2 HIS 57 11.767 1.881 8.184 413 HE1 HIS 57 HE1 HIS 57 11.270 6.080 8.514 414 HE2 HIS 57 HE2 HIS 57 11.604 3.919 9.773 415 H LEU 58 H LEU 58 8.664 3.415 3.170 416 HA LEU 58 HA LEU 58 9.008 1.353 1.166 417 1HB LEU 58 2HB LEU 58 7.520 3.971 1.048 418 2HB LEU 58 1HB LEU 58 7.507 2.742 -0.202 419 HG LEU 58 HG LEU 58 6.412 2.419 2.594 420 1HD1 LEU 58 1HD1 LEU 58 5.033 3.879 1.223 421 2HD1 LEU 58 2HD1 LEU 58 4.234 2.326 1.483 422 3HD1 LEU 58 3HD1 LEU 58 5.011 2.672 -0.064 423 1HD2 LEU 58 1HD2 LEU 58 6.390 0.525 0.248 424 2HD2 LEU 58 2HD2 LEU 58 5.557 0.274 1.782 425 3HD2 LEU 58 3HD2 LEU 58 7.319 0.329 1.736 426 H TYR 59 H TYR 59 11.249 1.519 0.785 427 HA TYR 59 HA TYR 59 12.422 3.940 -0.159 428 1HB TYR 59 2HB TYR 59 13.323 1.063 -0.221 429 2HB TYR 59 1HB TYR 59 14.261 2.348 -0.976 430 HD1 TYR 59 HD1 TYR 59 13.649 0.572 2.034 431 HD2 TYR 59 HD2 TYR 59 14.884 4.357 0.544 432 HE1 TYR 59 HE1 TYR 59 14.696 1.074 4.201 433 HE2 TYR 59 HE2 TYR 59 15.941 4.870 2.703 434 HH TYR 59 HH TYR 59 15.714 4.171 5.092 435 H LYS 60 H LYS 60 13.512 3.936 -2.409 436 HA LYS 60 HA LYS 60 11.363 4.253 -4.189 437 1HB LYS 60 2HB LYS 60 14.289 4.151 -4.927 438 2HB LYS 60 1HB LYS 60 12.999 4.979 -5.792 439 1HG LYS 60 2HG LYS 60 12.683 6.449 -3.821 440 2HG LYS 60 1HG LYS 60 14.076 5.672 -3.068 441 1HD LYS 60 2HD LYS 60 14.958 7.607 -4.024 442 2HD LYS 60 1HD LYS 60 15.348 6.343 -5.193 443 1HE LYS 60 2HE LYS 60 14.504 8.347 -6.307 444 2HE LYS 60 1HE LYS 60 13.414 6.980 -6.539 445 1HZ LYS 60 1HZ LYS 60 11.838 7.888 -5.147 446 2HZ LYS 60 2HZ LYS 60 12.455 9.277 -5.892 447 3HZ LYS 60 3HZ LYS 60 12.948 8.868 -4.324 448 H LEU 61 H LEU 61 13.954 1.794 -4.152 449 HA LEU 61 HA LEU 61 12.410 0.296 -6.158 450 1HB LEU 61 2HB LEU 61 15.299 0.080 -5.319 451 2HB LEU 61 1HB LEU 61 14.509 -1.119 -6.320 452 HG LEU 61 HG LEU 61 15.738 0.269 -7.785 453 1HD1 LEU 61 1HD1 LEU 61 13.543 -0.291 -8.618 454 2HD1 LEU 61 2HD1 LEU 61 14.009 1.319 -9.170 455 3HD1 LEU 61 3HD1 LEU 61 12.856 1.139 -7.847 456 1HD2 LEU 61 1HD2 LEU 61 15.541 2.698 -7.854 457 2HD2 LEU 61 2HD2 LEU 61 16.122 2.145 -6.280 458 3HD2 LEU 61 3HD2 LEU 61 14.442 2.652 -6.474 459 H GLY 62 H GLY 62 11.062 -1.144 -5.309 460 1HA GLY 62 2HA GLY 62 11.718 -3.373 -3.907 461 2HA GLY 62 1HA GLY 62 11.498 -2.173 -2.644 462 HA PRO 63 HA PRO 63 7.126 -2.458 -2.437 463 1HB PRO 63 2HB PRO 63 6.729 0.084 -3.945 464 2HB PRO 63 1HB PRO 63 6.062 -0.420 -2.387 465 1HG PRO 63 2HG PRO 63 8.061 1.321 -2.475 466 2HG PRO 63 1HG PRO 63 8.032 0.042 -1.245 467 1HD PRO 63 2HD PRO 63 9.658 0.235 -3.745 468 2HD PRO 63 1HD PRO 63 10.109 -0.402 -2.150 469 H GLU 64 H GLU 64 6.213 -3.994 -3.565 470 HA GLU 64 HA GLU 64 5.495 -3.485 -6.377 471 1HB GLU 64 2HB GLU 64 6.387 -6.117 -5.171 472 2HB GLU 64 1HB GLU 64 5.797 -5.903 -6.812 473 1HG GLU 64 2HG GLU 64 7.700 -4.601 -7.406 474 2HG GLU 64 1HG GLU 64 8.239 -4.531 -5.729 475 H LEU 65 H LEU 65 3.564 -4.693 -7.053 476 HA LEU 65 HA LEU 65 1.749 -5.139 -4.786 477 1HB LEU 65 2HB LEU 65 1.213 -4.378 -7.650 478 2HB LEU 65 1HB LEU 65 -0.050 -4.955 -6.585 479 HG LEU 65 HG LEU 65 0.558 -3.013 -5.047 480 1HD1 LEU 65 1HD1 LEU 65 1.643 -1.092 -6.079 481 2HD1 LEU 65 2HD1 LEU 65 1.954 -2.040 -7.534 482 3HD1 LEU 65 3HD1 LEU 65 2.735 -2.477 -6.013 483 1HD2 LEU 65 1HD2 LEU 65 -1.461 -3.069 -6.399 484 2HD2 LEU 65 2HD2 LEU 65 -0.569 -2.434 -7.782 485 3HD2 LEU 65 3HD2 LEU 65 -0.792 -1.438 -6.344 486 H THR 66 H THR 66 0.471 -7.015 -4.718 487 HA THR 66 HA THR 66 1.532 -9.248 -6.268 488 HB THR 66 HB THR 66 0.224 -10.686 -4.785 489 HG1 THR 66 HG1 THR 66 -0.843 -9.506 -2.955 490 1HG2 THR 66 1HG2 THR 66 1.730 -8.559 -3.255 491 2HG2 THR 66 2HG2 THR 66 2.431 -9.993 -4.003 492 3HG2 THR 66 3HG2 THR 66 1.316 -10.162 -2.646 493 H GLU 67 H GLU 67 -0.157 -10.868 -7.055 494 HA GLU 67 HA GLU 67 -1.983 -9.640 -8.832 495 1HB GLU 67 2HB GLU 67 -1.670 -12.487 -7.877 496 2HB GLU 67 1HB GLU 67 -2.920 -12.020 -9.018 497 1HG GLU 67 2HG GLU 67 -0.998 -12.959 -10.160 498 2HG GLU 67 1HG GLU 67 -1.232 -11.269 -10.596 499 H LYS 68 H LYS 68 -2.223 -10.829 -5.577 500 HA LYS 68 HA LYS 68 -5.023 -10.859 -5.293 501 1HB LYS 68 2HB LYS 68 -3.425 -11.827 -3.649 502 2HB LYS 68 1HB LYS 68 -2.933 -10.202 -3.202 503 1HG LYS 68 2HG LYS 68 -5.239 -9.744 -2.464 504 2HG LYS 68 1HG LYS 68 -5.664 -11.411 -2.843 505 1HD LYS 68 2HD LYS 68 -3.541 -10.584 -0.865 506 2HD LYS 68 1HD LYS 68 -5.189 -11.036 -0.437 507 1HE LYS 68 2HE LYS 68 -4.096 -13.026 -0.098 508 2HE LYS 68 1HE LYS 68 -4.617 -13.218 -1.770 509 1HZ LYS 68 1HZ LYS 68 -2.384 -12.460 -2.461 510 2HZ LYS 68 2HZ LYS 68 -2.348 -13.893 -1.568 511 3HZ LYS 68 3HZ LYS 68 -1.911 -12.429 -0.832 512 H GLY 69 H GLY 69 -2.603 -8.324 -4.732 513 1HA GLY 69 2HA GLY 69 -4.527 -6.341 -3.974 514 2HA GLY 69 1HA GLY 69 -2.836 -6.057 -4.359 515 H GLU 70 H GLU 70 -2.902 -7.174 -6.988 516 HA GLU 70 HA GLU 70 -3.699 -4.932 -8.483 517 1HB GLU 70 2HB GLU 70 -2.020 -6.886 -9.014 518 2HB GLU 70 1HB GLU 70 -3.429 -7.643 -9.738 519 1HG GLU 70 2HG GLU 70 -2.362 -4.935 -10.494 520 2HG GLU 70 1HG GLU 70 -2.002 -6.427 -11.350 521 H ASN 71 H ASN 71 -5.192 -8.161 -8.182 522 HA ASN 71 HA ASN 71 -7.476 -7.442 -9.722 523 1HB ASN 71 2HB ASN 71 -6.888 -9.751 -7.878 524 2HB ASN 71 1HB ASN 71 -8.476 -9.539 -8.607 525 1HD2 ASN 71 1HD2 ASN 71 -5.155 -10.362 -9.151 526 2HD2 ASN 71 2HD2 ASN 71 -5.346 -10.924 -10.776 527 H TYR 72 H TYR 72 -6.588 -7.096 -6.396 528 HA TYR 72 HA TYR 72 -9.126 -6.668 -5.258 529 1HB TYR 72 2HB TYR 72 -6.887 -6.966 -4.062 530 2HB TYR 72 1HB TYR 72 -6.580 -5.273 -4.418 531 HD1 TYR 72 HD1 TYR 72 -9.337 -7.342 -2.986 532 HD2 TYR 72 HD2 TYR 72 -7.007 -3.795 -2.696 533 HE1 TYR 72 HE1 TYR 72 -10.523 -6.740 -0.922 534 HE2 TYR 72 HE2 TYR 72 -8.193 -3.177 -0.631 535 HH TYR 72 HH TYR 72 -10.229 -3.637 0.565 536 H LEU 73 H LEU 73 -6.837 -4.532 -6.884 537 HA LEU 73 HA LEU 73 -8.066 -2.071 -6.539 538 1HB LEU 73 2HB LEU 73 -6.642 -3.139 -8.980 539 2HB LEU 73 1HB LEU 73 -7.042 -1.451 -8.722 540 HG LEU 73 HG LEU 73 -5.225 -3.036 -6.905 541 1HD1 LEU 73 1HD1 LEU 73 -4.248 -2.885 -9.129 542 2HD1 LEU 73 2HD1 LEU 73 -3.389 -1.843 -7.997 543 3HD1 LEU 73 3HD1 LEU 73 -4.526 -1.145 -9.148 544 1HD2 LEU 73 1HD2 LEU 73 -6.278 -1.111 -5.848 545 2HD2 LEU 73 2HD2 LEU 73 -5.758 -0.078 -7.177 546 3HD2 LEU 73 3HD2 LEU 73 -4.560 -0.814 -6.110 547 H LYS 74 H LYS 74 -8.753 -4.610 -8.885 548 HA LYS 74 HA LYS 74 -10.681 -3.180 -10.371 549 1HB LYS 74 2HB LYS 74 -10.225 -6.143 -10.014 550 2HB LYS 74 1HB LYS 74 -11.372 -5.464 -11.162 551 1HG LYS 74 2HG LYS 74 -9.626 -4.400 -12.387 552 2HG LYS 74 1HG LYS 74 -8.435 -4.829 -11.158 553 1HD LYS 74 2HD LYS 74 -8.644 -7.160 -11.685 554 2HD LYS 74 1HD LYS 74 -9.995 -6.840 -12.776 555 1HE LYS 74 2HE LYS 74 -7.884 -7.213 -13.983 556 2HE LYS 74 1HE LYS 74 -8.553 -5.607 -14.264 557 1HZ LYS 74 1HZ LYS 74 -6.242 -6.326 -12.539 558 2HZ LYS 74 2HZ LYS 74 -6.991 -4.805 -12.492 559 3HZ LYS 74 3HZ LYS 74 -6.253 -5.340 -13.917 560 H GLU 75 H GLU 75 -10.858 -5.070 -7.437 561 HA GLU 75 HA GLU 75 -13.721 -5.265 -7.420 562 1HB GLU 75 2HB GLU 75 -11.802 -5.615 -5.112 563 2HB GLU 75 1HB GLU 75 -13.462 -6.186 -5.193 564 1HG GLU 75 2HG GLU 75 -12.835 -7.702 -7.018 565 2HG GLU 75 1HG GLU 75 -11.167 -7.144 -6.890 566 H ASN 76 H ASN 76 -11.437 -3.566 -5.272 567 HA ASN 76 HA ASN 76 -13.593 -2.002 -4.164 568 1HB ASN 76 2HB ASN 76 -12.060 -1.223 -2.550 569 2HB ASN 76 1HB ASN 76 -11.633 -2.900 -2.833 570 1HD2 ASN 76 1HD2 ASN 76 -10.265 -2.180 -5.403 571 2HD2 ASN 76 2HD2 ASN 76 -8.774 -1.465 -4.910 572 H GLY 77 H GLY 77 -12.171 -1.717 -6.996 573 1HA GLY 77 2HA GLY 77 -11.149 0.888 -7.161 574 2HA GLY 77 1HA GLY 77 -11.778 -0.048 -8.503 575 H THR 78 H THR 78 -14.334 -0.010 -6.572 576 HA THR 78 HA THR 78 -15.628 2.120 -7.949 577 HB THR 78 HB THR 78 -17.022 0.295 -7.403 578 HG1 THR 78 HG1 THR 78 -17.767 2.595 -6.868 579 1HG2 THR 78 1HG2 THR 78 -15.685 -0.639 -5.562 580 2HG2 THR 78 2HG2 THR 78 -17.399 -0.551 -5.158 581 3HG2 THR 78 3HG2 THR 78 -16.278 0.638 -4.498 582 H TRP 79 H TRP 79 -14.756 1.648 -4.526 583 HA TRP 79 HA TRP 79 -14.827 3.140 -2.751 584 1HB TRP 79 2HB TRP 79 -12.520 3.033 -4.023 585 2HB TRP 79 1HB TRP 79 -12.872 4.722 -4.366 586 HD1 TRP 79 HD1 TRP 79 -13.056 2.566 -1.119 587 HE1 TRP 79 HE1 TRP 79 -11.909 3.877 0.774 588 HE3 TRP 79 HE3 TRP 79 -11.671 6.743 -3.736 589 HZ2 TRP 79 HZ2 TRP 79 -10.603 6.352 1.113 590 HZ3 TRP 79 HZ3 TRP 79 -10.481 8.532 -2.548 591 HH2 TRP 79 HH2 TRP 79 -9.958 8.338 -0.173 592 H SER 80 H SER 80 -17.087 3.825 -3.723 593 HA SER 80 HA SER 80 -18.641 5.440 -3.964 594 1HB SER 80 2HB SER 80 -17.503 6.525 -2.050 595 2HB SER 80 1HB SER 80 -16.455 7.382 -3.179 596 HG SER 80 HG SER 80 -19.277 7.565 -3.285 597 H LYS 81 H LYS 81 -16.003 7.572 -4.959 598 HA LYS 81 HA LYS 81 -15.629 8.756 -6.858 599 1HB LYS 81 2HB LYS 81 -16.473 6.128 -8.073 600 2HB LYS 81 1HB LYS 81 -15.819 7.461 -9.011 601 1HG LYS 81 2HG LYS 81 -14.374 6.118 -6.736 602 2HG LYS 81 1HG LYS 81 -14.158 5.714 -8.439 603 1HD LYS 81 2HD LYS 81 -13.410 8.008 -8.879 604 2HD LYS 81 1HD LYS 81 -13.615 8.399 -7.171 605 1HE LYS 81 2HE LYS 81 -11.917 6.808 -6.552 606 2HE LYS 81 1HE LYS 81 -11.786 6.243 -8.216 607 1HZ LYS 81 1HZ LYS 81 -11.102 8.972 -7.258 608 2HZ LYS 81 2HZ LYS 81 -10.960 8.417 -8.858 609 3HZ LYS 81 3HZ LYS 81 -9.987 7.750 -7.639 610 H ALA 82 H ALA 82 -18.400 8.742 -5.700 611 HA ALA 82 HA ALA 82 -19.972 9.436 -8.077 612 1HB ALA 82 1HB ALA 82 -20.861 9.093 -5.211 613 2HB ALA 82 2HB ALA 82 -21.019 7.891 -6.493 614 3HB ALA 82 3HB ALA 82 -21.911 9.408 -6.593 Start of MODEL 13 1 H LYS 5 H LYS 5 -11.726 0.347 3.864 2 HA LYS 5 HA LYS 5 -10.903 -0.065 1.086 3 1HB LYS 5 2HB LYS 5 -12.741 2.059 2.191 4 2HB LYS 5 1HB LYS 5 -12.573 1.557 0.511 5 1HG LYS 5 2HG LYS 5 -13.451 -0.661 1.107 6 2HG LYS 5 1HG LYS 5 -13.663 -0.116 2.769 7 1HD LYS 5 2HD LYS 5 -15.191 1.661 1.913 8 2HD LYS 5 1HD LYS 5 -15.065 0.922 0.313 9 1HE LYS 5 2HE LYS 5 -16.182 -0.308 2.827 10 2HE LYS 5 1HE LYS 5 -17.056 0.097 1.349 11 1HZ LYS 5 1HZ LYS 5 -16.648 -2.244 1.391 12 2HZ LYS 5 2HZ LYS 5 -14.994 -2.014 1.676 13 3HZ LYS 5 3HZ LYS 5 -15.667 -1.565 0.187 14 H LEU 6 H LEU 6 -10.063 1.783 3.849 15 HA LEU 6 HA LEU 6 -8.766 3.926 2.436 16 1HB LEU 6 2HB LEU 6 -8.688 2.943 5.279 17 2HB LEU 6 1HB LEU 6 -7.557 4.160 4.722 18 HG LEU 6 HG LEU 6 -9.358 5.270 5.825 19 1HD1 LEU 6 1HD1 LEU 6 -10.181 6.725 4.062 20 2HD1 LEU 6 2HD1 LEU 6 -9.705 5.540 2.846 21 3HD1 LEU 6 3HD1 LEU 6 -8.474 6.345 3.821 22 1HD2 LEU 6 1HD2 LEU 6 -11.043 3.513 5.683 23 2HD2 LEU 6 2HD2 LEU 6 -11.227 3.817 3.956 24 3HD2 LEU 6 3HD2 LEU 6 -11.689 5.056 5.122 25 H ARG 7 H ARG 7 -7.945 0.809 3.706 26 HA ARG 7 HA ARG 7 -5.182 0.796 3.222 27 1HB ARG 7 2HB ARG 7 -7.207 -1.025 4.036 28 2HB ARG 7 1HB ARG 7 -6.319 -1.789 2.730 29 1HG ARG 7 2HG ARG 7 -5.442 -2.326 4.972 30 2HG ARG 7 1HG ARG 7 -4.252 -1.560 3.920 31 1HD ARG 7 2HD ARG 7 -4.174 -0.666 6.207 32 2HD ARG 7 1HD ARG 7 -4.598 0.567 5.023 33 HE ARG 7 HE ARG 7 -7.016 -0.118 5.825 34 1HH1 ARG 7 1HH1 ARG 7 -4.129 0.368 7.761 35 2HH1 ARG 7 2HH1 ARG 7 -5.006 0.919 9.152 36 1HH2 ARG 7 1HH2 ARG 7 -8.169 0.611 7.666 37 2HH2 ARG 7 2HH2 ARG 7 -7.282 1.073 9.100 38 H TYR 8 H TYR 8 -7.942 0.395 1.136 39 HA TYR 8 HA TYR 8 -6.550 -0.533 -1.157 40 1HB TYR 8 2HB TYR 8 -8.914 -0.849 -1.131 41 2HB TYR 8 1HB TYR 8 -9.208 0.856 -0.802 42 HD1 TYR 8 HD1 TYR 8 -7.968 -1.488 -3.393 43 HD2 TYR 8 HD2 TYR 8 -9.491 2.394 -2.561 44 HE1 TYR 8 HE1 TYR 8 -8.167 -1.052 -5.801 45 HE2 TYR 8 HE2 TYR 8 -9.691 2.838 -4.970 46 HH TYR 8 HH TYR 8 -9.357 0.377 -7.328 47 H ALA 9 H ALA 9 -7.448 2.680 0.026 48 HA ALA 9 HA ALA 9 -6.638 4.202 -2.160 49 1HB ALA 9 1HB ALA 9 -6.426 6.065 -0.601 50 2HB ALA 9 2HB ALA 9 -6.452 4.942 0.760 51 3HB ALA 9 3HB ALA 9 -7.879 5.127 -0.260 52 H ILE 10 H ILE 10 -4.791 3.139 0.661 53 HA ILE 10 HA ILE 10 -2.327 4.260 0.067 54 HB ILE 10 HB ILE 10 -2.895 1.595 1.379 55 1HG1 ILE 10 2HG1 ILE 10 -3.955 3.645 2.392 56 2HG1 ILE 10 1HG1 ILE 10 -2.859 2.779 3.467 57 1HG2 ILE 10 1HG2 ILE 10 -0.574 1.736 0.646 58 2HG2 ILE 10 2HG2 ILE 10 -0.690 1.809 2.405 59 3HG2 ILE 10 3HG2 ILE 10 -0.398 3.282 1.479 60 1HD1 ILE 10 1HD1 ILE 10 -2.612 5.198 3.637 61 2HD1 ILE 10 2HD1 ILE 10 -2.205 5.278 1.922 62 3HD1 ILE 10 3HD1 ILE 10 -1.134 4.438 3.044 63 H LEU 11 H LEU 11 -3.574 1.056 -0.912 64 HA LEU 11 HA LEU 11 -1.389 0.208 -2.421 65 1HB LEU 11 2HB LEU 11 -4.335 -0.340 -2.715 66 2HB LEU 11 1HB LEU 11 -3.140 -1.093 -3.750 67 HG LEU 11 HG LEU 11 -3.167 -1.364 -0.752 68 1HD1 LEU 11 1HD1 LEU 11 -4.069 -3.600 -1.125 69 2HD1 LEU 11 2HD1 LEU 11 -4.195 -3.261 -2.852 70 3HD1 LEU 11 3HD1 LEU 11 -5.178 -2.355 -1.701 71 1HD2 LEU 11 1HD2 LEU 11 -1.653 -2.810 -2.915 72 2HD2 LEU 11 2HD2 LEU 11 -1.661 -3.258 -1.210 73 3HD2 LEU 11 3HD2 LEU 11 -0.981 -1.711 -1.711 74 H LYS 12 H LYS 12 -4.169 2.179 -3.383 75 HA LYS 12 HA LYS 12 -3.512 2.305 -6.127 76 1HB LYS 12 2HB LYS 12 -5.753 2.857 -5.121 77 2HB LYS 12 1HB LYS 12 -5.058 4.369 -4.552 78 1HG LYS 12 2HG LYS 12 -4.655 5.092 -6.820 79 2HG LYS 12 1HG LYS 12 -5.199 3.536 -7.444 80 1HD LYS 12 2HD LYS 12 -7.128 4.701 -7.720 81 2HD LYS 12 1HD LYS 12 -7.372 4.172 -6.057 82 1HE LYS 12 2HE LYS 12 -6.256 6.842 -6.909 83 2HE LYS 12 1HE LYS 12 -7.904 6.550 -6.368 84 1HZ LYS 12 1HZ LYS 12 -5.404 6.420 -4.779 85 2HZ LYS 12 2HZ LYS 12 -6.850 5.727 -4.236 86 3HZ LYS 12 3HZ LYS 12 -6.769 7.392 -4.525 87 H GLU 13 H GLU 13 -2.837 4.488 -3.416 88 HA GLU 13 HA GLU 13 -1.501 6.444 -4.958 89 1HB GLU 13 2HB GLU 13 -1.785 5.846 -2.057 90 2HB GLU 13 1HB GLU 13 -0.480 6.919 -2.545 91 1HG GLU 13 2HG GLU 13 -2.574 8.086 -1.899 92 2HG GLU 13 1HG GLU 13 -2.004 8.466 -3.521 93 H ILE 14 H ILE 14 -0.398 3.495 -3.399 94 HA ILE 14 HA ILE 14 2.373 3.864 -3.745 95 HB ILE 14 HB ILE 14 0.734 1.322 -3.832 96 1HG1 ILE 14 2HG1 ILE 14 2.498 2.468 -1.662 97 2HG1 ILE 14 1HG1 ILE 14 0.741 2.546 -1.679 98 1HG2 ILE 14 1HG2 ILE 14 2.860 0.121 -3.495 99 2HG2 ILE 14 2HG2 ILE 14 3.732 1.635 -3.728 100 3HG2 ILE 14 3HG2 ILE 14 2.791 0.947 -5.051 101 1HD1 ILE 14 1HD1 ILE 14 1.518 0.785 -0.218 102 2HD1 ILE 14 2HD1 ILE 14 2.403 0.044 -1.552 103 3HD1 ILE 14 3HD1 ILE 14 0.642 0.108 -1.590 104 H PHE 15 H PHE 15 -0.109 2.523 -5.866 105 HA PHE 15 HA PHE 15 1.613 1.879 -8.019 106 1HB PHE 15 2HB PHE 15 -0.781 1.046 -7.491 107 2HB PHE 15 1HB PHE 15 -1.317 2.509 -8.307 108 HD1 PHE 15 HD1 PHE 15 -0.498 2.869 -10.723 109 HD2 PHE 15 HD2 PHE 15 -0.305 -0.869 -8.696 110 HE1 PHE 15 HE1 PHE 15 -0.355 1.705 -12.888 111 HE2 PHE 15 HE2 PHE 15 -0.152 -2.038 -10.856 112 HZ PHE 15 HZ PHE 15 -0.175 -0.747 -12.956 113 H GLU 16 H GLU 16 -0.422 4.679 -7.294 114 HA GLU 16 HA GLU 16 0.018 6.004 -9.771 115 1HB GLU 16 2HB GLU 16 -0.942 7.033 -7.101 116 2HB GLU 16 1HB GLU 16 -0.939 7.986 -8.578 117 1HG GLU 16 2HG GLU 16 -2.427 5.398 -8.223 118 2HG GLU 16 1HG GLU 16 -3.134 7.000 -8.016 119 H GLY 17 H GLY 17 1.573 6.226 -6.599 120 1HA GLY 17 2HA GLY 17 3.197 8.486 -7.417 121 2HA GLY 17 1HA GLY 17 3.246 7.669 -5.862 122 H ASN 18 H ASN 18 3.485 5.064 -7.451 123 HA ASN 18 HA ASN 18 5.130 3.630 -8.084 124 1HB ASN 18 2HB ASN 18 5.365 5.299 -9.973 125 2HB ASN 18 1HB ASN 18 6.659 6.058 -9.055 126 1HD2 ASN 18 1HD2 ASN 18 6.066 2.595 -9.217 127 2HD2 ASN 18 2HD2 ASN 18 7.505 2.205 -10.087 128 H THR 19 H THR 19 5.118 5.177 -5.526 129 HA THR 19 HA THR 19 6.234 5.397 -3.596 130 HB THR 19 HB THR 19 8.028 3.739 -3.057 131 HG1 THR 19 HG1 THR 19 8.133 3.448 -5.708 132 1HG2 THR 19 1HG2 THR 19 6.517 1.817 -3.080 133 2HG2 THR 19 2HG2 THR 19 5.477 2.650 -4.235 134 3HG2 THR 19 3HG2 THR 19 5.680 3.295 -2.607 135 HA PRO 20 HA PRO 20 7.585 5.311 -1.903 136 1HB PRO 20 2HB PRO 20 8.668 6.993 -0.145 137 2HB PRO 20 1HB PRO 20 9.652 5.762 -0.947 138 1HG PRO 20 2HG PRO 20 9.463 8.689 -1.496 139 2HG PRO 20 1HG PRO 20 10.881 7.627 -1.537 140 1HD PRO 20 2HD PRO 20 9.384 8.440 -3.752 141 2HD PRO 20 1HD PRO 20 10.523 7.081 -3.711 142 H LEU 21 H LEU 21 6.000 6.053 -0.395 143 HA LEU 21 HA LEU 21 5.040 8.788 -0.783 144 1HB LEU 21 2HB LEU 21 2.714 8.065 -0.570 145 2HB LEU 21 1HB LEU 21 3.476 7.374 -1.987 146 HG LEU 21 HG LEU 21 3.255 5.784 0.557 147 1HD1 LEU 21 1HD1 LEU 21 1.009 6.584 0.037 148 2HD1 LEU 21 2HD1 LEU 21 1.160 4.858 -0.294 149 3HD1 LEU 21 3HD1 LEU 21 1.183 6.016 -1.624 150 1HD2 LEU 21 1HD2 LEU 21 3.333 4.993 -2.353 151 2HD2 LEU 21 2HD2 LEU 21 3.366 3.908 -0.962 152 3HD2 LEU 21 3HD2 LEU 21 4.722 4.992 -1.268 153 H SER 22 H SER 22 5.076 9.855 1.040 154 HA SER 22 HA SER 22 5.555 8.480 3.525 155 1HB SER 22 2HB SER 22 5.201 11.447 3.048 156 2HB SER 22 1HB SER 22 5.978 10.673 4.429 157 HG SER 22 HG SER 22 7.741 10.387 3.299 158 H GLU 23 H GLU 23 4.329 9.096 5.491 159 HA GLU 23 HA GLU 23 1.578 8.656 5.258 160 1HB GLU 23 2HB GLU 23 1.450 9.184 7.647 161 2HB GLU 23 1HB GLU 23 2.830 8.156 7.307 162 1HG GLU 23 2HG GLU 23 2.860 11.107 7.905 163 2HG GLU 23 1HG GLU 23 3.447 9.802 8.931 164 H ASN 24 H ASN 24 3.393 11.673 5.744 165 HA ASN 24 HA ASN 24 1.091 13.356 5.746 166 1HB ASN 24 2HB ASN 24 4.033 13.877 5.348 167 2HB ASN 24 1HB ASN 24 2.842 15.165 5.208 168 1HD2 ASN 24 1HD2 ASN 24 4.360 12.879 7.375 169 2HD2 ASN 24 2HD2 ASN 24 3.881 13.673 8.839 170 H ASP 25 H ASP 25 2.873 11.809 3.285 171 HA ASP 25 HA ASP 25 2.229 13.654 1.166 172 1HB ASP 25 2HB ASP 25 4.308 12.361 1.107 173 2HB ASP 25 1HB ASP 25 3.394 10.859 1.099 174 H ILE 26 H ILE 26 1.218 10.376 2.107 175 HA ILE 26 HA ILE 26 -0.844 10.201 0.137 176 HB ILE 26 HB ILE 26 0.220 8.203 1.105 177 1HG1 ILE 26 2HG1 ILE 26 -2.175 8.118 0.198 178 2HG1 ILE 26 1HG1 ILE 26 -1.657 6.786 1.210 179 1HG2 ILE 26 1HG2 ILE 26 -1.162 8.968 3.658 180 2HG2 ILE 26 2HG2 ILE 26 0.575 8.925 3.355 181 3HG2 ILE 26 3HG2 ILE 26 -0.360 7.427 3.359 182 1HD1 ILE 26 1HD1 ILE 26 -3.926 7.436 1.732 183 2HD1 ILE 26 2HD1 ILE 26 -3.399 9.085 2.069 184 3HD1 ILE 26 3HD1 ILE 26 -2.863 7.762 3.102 185 H GLY 27 H GLY 27 -0.706 11.208 3.531 186 1HA GLY 27 2HA GLY 27 -2.117 13.107 4.111 187 2HA GLY 27 1HA GLY 27 -3.378 12.393 3.121 188 H VAL 28 H VAL 28 -1.366 10.651 5.439 189 HA VAL 28 HA VAL 28 -3.586 10.575 7.343 190 HB VAL 28 HB VAL 28 -3.374 8.152 7.682 191 1HG1 VAL 28 1HG1 VAL 28 -5.120 8.969 6.202 192 2HG1 VAL 28 2HG1 VAL 28 -4.521 7.400 5.666 193 3HG1 VAL 28 3HG1 VAL 28 -4.016 8.868 4.828 194 1HG2 VAL 28 1HG2 VAL 28 -1.084 7.846 6.924 195 2HG2 VAL 28 2HG2 VAL 28 -1.572 8.203 5.267 196 3HG2 VAL 28 3HG2 VAL 28 -2.175 6.754 6.072 197 H THR 29 H THR 29 -2.838 9.478 9.426 198 HA THR 29 HA THR 29 -0.318 10.591 10.203 199 HB THR 29 HB THR 29 -0.818 9.427 12.385 200 HG1 THR 29 HG1 THR 29 -2.946 8.570 12.590 201 1HG2 THR 29 1HG2 THR 29 -2.928 11.260 11.247 202 2HG2 THR 29 2HG2 THR 29 -1.422 11.755 12.021 203 3HG2 THR 29 3HG2 THR 29 -2.676 10.943 12.963 204 H GLU 30 H GLU 30 1.382 9.320 11.240 205 HA GLU 30 HA GLU 30 2.387 7.255 9.652 206 1HB GLU 30 2HB GLU 30 3.080 7.356 12.554 207 2HB GLU 30 1HB GLU 30 4.132 7.118 11.165 208 1HG GLU 30 2HG GLU 30 3.997 9.458 10.617 209 2HG GLU 30 1HG GLU 30 2.834 9.711 11.926 210 H ASP 31 H ASP 31 0.794 7.193 12.774 211 HA ASP 31 HA ASP 31 0.859 4.570 13.464 212 1HB ASP 31 2HB ASP 31 -1.323 6.619 13.792 213 2HB ASP 31 1HB ASP 31 -1.348 5.055 14.613 214 H GLN 32 H GLN 32 -1.534 6.097 11.321 215 HA GLN 32 HA GLN 32 -2.905 3.637 10.831 216 1HB GLN 32 2HB GLN 32 -3.003 6.297 9.411 217 2HB GLN 32 1HB GLN 32 -4.032 4.931 9.006 218 1HG GLN 32 2HG GLN 32 -4.899 4.969 11.335 219 2HG GLN 32 1HG GLN 32 -3.963 6.437 11.609 220 1HE2 GLN 32 1HE2 GLN 32 -4.444 7.403 8.880 221 2HE2 GLN 32 2HE2 GLN 32 -6.076 7.970 8.860 222 H PHE 33 H PHE 33 -0.407 5.487 9.162 223 HA PHE 33 HA PHE 33 -0.397 3.993 6.758 224 1HB PHE 33 2HB PHE 33 0.637 6.233 7.007 225 2HB PHE 33 1HB PHE 33 1.878 5.530 8.038 226 HD1 PHE 33 HD1 PHE 33 3.792 4.550 7.116 227 HD2 PHE 33 HD2 PHE 33 0.479 5.479 4.612 228 HE1 PHE 33 HE1 PHE 33 5.164 4.078 5.130 229 HE2 PHE 33 HE2 PHE 33 1.845 5.004 2.622 230 HZ PHE 33 HZ PHE 33 4.191 4.303 2.881 231 H ASP 34 H ASP 34 1.598 3.780 9.684 232 HA ASP 34 HA ASP 34 3.218 1.628 9.060 233 1HB ASP 34 2HB ASP 34 2.007 2.576 11.642 234 2HB ASP 34 1HB ASP 34 2.976 1.112 11.607 235 H ASP 35 H ASP 35 0.089 1.520 10.743 236 HA ASP 35 HA ASP 35 -0.091 -1.289 10.829 237 1HB ASP 35 2HB ASP 35 -1.412 0.250 12.259 238 2HB ASP 35 1HB ASP 35 -2.351 0.720 10.845 239 H ALA 36 H ALA 36 -1.093 1.061 8.425 240 HA ALA 36 HA ALA 36 -2.707 -0.573 6.824 241 1HB ALA 36 1HB ALA 36 -2.575 1.860 6.569 242 2HB ALA 36 2HB ALA 36 -2.289 1.027 5.040 243 3HB ALA 36 3HB ALA 36 -0.933 1.702 5.945 244 H VAL 37 H VAL 37 0.768 0.150 6.529 245 HA VAL 37 HA VAL 37 1.180 -1.503 4.275 246 HB VAL 37 HB VAL 37 3.217 -0.626 6.332 247 1HG1 VAL 37 1HG1 VAL 37 3.567 -1.591 3.491 248 2HG1 VAL 37 2HG1 VAL 37 4.028 -2.465 4.952 249 3HG1 VAL 37 3HG1 VAL 37 4.852 -0.965 4.526 250 1HG2 VAL 37 1HG2 VAL 37 3.714 1.194 4.758 251 2HG2 VAL 37 2HG2 VAL 37 2.062 1.283 5.367 252 3HG2 VAL 37 3HG2 VAL 37 2.370 0.671 3.742 253 H ASN 38 H ASN 38 1.529 -2.084 7.751 254 HA ASN 38 HA ASN 38 2.644 -4.661 7.523 255 1HB ASN 38 2HB ASN 38 0.996 -3.455 9.750 256 2HB ASN 38 1HB ASN 38 1.806 -5.014 9.855 257 1HD2 ASN 38 1HD2 ASN 38 2.330 -2.951 11.628 258 2HD2 ASN 38 2HD2 ASN 38 3.957 -2.392 11.374 259 H PHE 39 H PHE 39 -0.706 -3.553 7.710 260 HA PHE 39 HA PHE 39 -1.913 -6.103 7.790 261 1HB PHE 39 2HB PHE 39 -3.126 -4.054 8.368 262 2HB PHE 39 1HB PHE 39 -2.991 -3.488 6.707 263 HD1 PHE 39 HD1 PHE 39 -4.682 -3.944 5.192 264 HD2 PHE 39 HD2 PHE 39 -4.370 -6.294 8.727 265 HE1 PHE 39 HE1 PHE 39 -6.810 -5.044 4.641 266 HE2 PHE 39 HE2 PHE 39 -6.502 -7.400 8.180 267 HZ PHE 39 HZ PHE 39 -7.724 -6.773 6.135 268 H LEU 40 H LEU 40 -1.182 -3.926 5.079 269 HA LEU 40 HA LEU 40 -2.343 -5.504 3.063 270 1HB LEU 40 2HB LEU 40 -0.091 -3.500 2.918 271 2HB LEU 40 1HB LEU 40 -0.873 -4.199 1.514 272 HG LEU 40 HG LEU 40 -2.255 -2.504 3.594 273 1HD1 LEU 40 1HD1 LEU 40 -2.327 -0.795 1.846 274 2HD1 LEU 40 2HD1 LEU 40 -1.364 -1.831 0.794 275 3HD1 LEU 40 3HD1 LEU 40 -0.669 -1.201 2.288 276 1HD2 LEU 40 1HD2 LEU 40 -3.730 -4.144 2.529 277 2HD2 LEU 40 2HD2 LEU 40 -3.231 -3.559 0.941 278 3HD2 LEU 40 3HD2 LEU 40 -4.122 -2.497 2.031 279 H LYS 41 H LYS 41 0.864 -5.531 4.489 280 HA LYS 41 HA LYS 41 1.959 -7.349 2.566 281 1HB LYS 41 2HB LYS 41 3.311 -5.705 3.868 282 2HB LYS 41 1HB LYS 41 2.988 -6.632 5.323 283 1HG LYS 41 2HG LYS 41 4.213 -8.050 3.024 284 2HG LYS 41 1HG LYS 41 5.213 -6.918 3.929 285 1HD LYS 41 2HD LYS 41 3.624 -9.074 5.294 286 2HD LYS 41 1HD LYS 41 5.238 -9.376 4.652 287 1HE LYS 41 2HE LYS 41 5.467 -8.857 6.967 288 2HE LYS 41 1HE LYS 41 6.062 -7.474 6.054 289 1HZ LYS 41 1HZ LYS 41 4.759 -6.608 7.782 290 2HZ LYS 41 2HZ LYS 41 3.506 -7.725 7.530 291 3HZ LYS 41 3HZ LYS 41 3.783 -6.493 6.403 292 H ARG 42 H ARG 42 0.222 -7.647 5.558 293 HA ARG 42 HA ARG 42 1.005 -10.364 6.070 294 1HB ARG 42 2HB ARG 42 0.273 -8.675 7.817 295 2HB ARG 42 1HB ARG 42 -1.368 -8.912 7.232 296 1HG ARG 42 2HG ARG 42 -1.247 -11.275 7.811 297 2HG ARG 42 1HG ARG 42 0.409 -11.052 8.382 298 1HD ARG 42 2HD ARG 42 -0.538 -9.304 9.962 299 2HD ARG 42 1HD ARG 42 -2.130 -9.925 9.530 300 HE ARG 42 HE ARG 42 -0.154 -11.833 10.515 301 1HH1 ARG 42 1HH1 ARG 42 -3.028 -9.933 11.128 302 2HH1 ARG 42 2HH1 ARG 42 -3.461 -10.814 12.564 303 1HH2 ARG 42 1HH2 ARG 42 -0.705 -12.986 12.384 304 2HH2 ARG 42 2HH2 ARG 42 -2.137 -12.557 13.272 305 H GLU 43 H GLU 43 -1.889 -8.762 4.783 306 HA GLU 43 HA GLU 43 -3.268 -11.227 4.293 307 1HB GLU 43 2HB GLU 43 -3.773 -8.361 3.585 308 2HB GLU 43 1HB GLU 43 -4.727 -9.635 2.838 309 1HG GLU 43 2HG GLU 43 -4.470 -9.134 5.795 310 2HG GLU 43 1HG GLU 43 -5.846 -8.692 4.783 311 H GLY 44 H GLY 44 -0.804 -9.584 2.686 312 1HA GLY 44 2HA GLY 44 0.377 -10.349 0.842 313 2HA GLY 44 1HA GLY 44 -0.896 -11.525 0.551 314 H TYR 45 H TYR 45 -0.936 -7.977 0.742 315 HA TYR 45 HA TYR 45 -2.150 -7.905 -1.925 316 1HB TYR 45 2HB TYR 45 -1.884 -5.830 0.249 317 2HB TYR 45 1HB TYR 45 -2.420 -5.428 -1.377 318 HD1 TYR 45 HD1 TYR 45 -4.531 -6.477 -2.250 319 HD2 TYR 45 HD2 TYR 45 -3.375 -6.746 1.833 320 HE1 TYR 45 HE1 TYR 45 -6.846 -7.042 -1.641 321 HE2 TYR 45 HE2 TYR 45 -5.684 -7.314 2.453 322 HH TYR 45 HH TYR 45 -8.025 -8.218 0.202 323 H ILE 46 H ILE 46 0.621 -6.771 -0.089 324 HA ILE 46 HA ILE 46 2.059 -6.384 -2.595 325 HB ILE 46 HB ILE 46 3.211 -4.373 -1.424 326 1HG1 ILE 46 2HG1 ILE 46 1.402 -3.014 -0.168 327 2HG1 ILE 46 1HG1 ILE 46 0.615 -4.563 0.089 328 1HG2 ILE 46 1HG2 ILE 46 1.985 -4.207 -3.501 329 2HG2 ILE 46 2HG2 ILE 46 1.638 -2.818 -2.473 330 3HG2 ILE 46 3HG2 ILE 46 0.459 -4.120 -2.619 331 1HD1 ILE 46 1HD1 ILE 46 2.576 -5.372 1.275 332 2HD1 ILE 46 2HD1 ILE 46 1.951 -3.892 2.004 333 3HD1 ILE 46 3HD1 ILE 46 3.389 -3.834 0.987 334 H ILE 47 H ILE 47 4.290 -6.681 -2.460 335 HA ILE 47 HA ILE 47 5.340 -7.630 0.114 336 HB ILE 47 HB ILE 47 6.553 -9.462 -0.936 337 1HG1 ILE 47 2HG1 ILE 47 6.572 -8.391 -3.255 338 2HG1 ILE 47 1HG1 ILE 47 6.345 -10.133 -3.188 339 1HG2 ILE 47 1HG2 ILE 47 4.451 -10.004 0.070 340 2HG2 ILE 47 2HG2 ILE 47 4.650 -10.971 -1.392 341 3HG2 ILE 47 3HG2 ILE 47 3.583 -9.568 -1.403 342 1HD1 ILE 47 1HD1 ILE 47 4.181 -8.080 -3.607 343 2HD1 ILE 47 2HD1 ILE 47 3.946 -9.826 -3.545 344 3HD1 ILE 47 3HD1 ILE 47 4.899 -9.111 -4.845 345 H GLY 48 H GLY 48 7.804 -7.838 -0.029 346 1HA GLY 48 2HA GLY 48 9.872 -7.002 -0.760 347 2HA GLY 48 1HA GLY 48 9.028 -6.031 -1.964 348 H VAL 49 H VAL 49 7.940 -6.061 1.303 349 HA VAL 49 HA VAL 49 8.364 -3.222 1.535 350 HB VAL 49 HB VAL 49 7.251 -5.195 3.543 351 1HG1 VAL 49 1HG1 VAL 49 8.127 -3.202 4.637 352 2HG1 VAL 49 2HG1 VAL 49 6.364 -3.220 4.696 353 3HG1 VAL 49 3HG1 VAL 49 7.197 -2.177 3.543 354 1HG2 VAL 49 1HG2 VAL 49 5.068 -4.306 2.892 355 2HG2 VAL 49 2HG2 VAL 49 5.896 -5.033 1.515 356 3HG2 VAL 49 3HG2 VAL 49 5.843 -3.278 1.686 357 H HIS 50 H HIS 50 9.998 -2.238 2.518 358 HA HIS 50 HA HIS 50 12.038 -3.896 3.789 359 1HB HIS 50 2HB HIS 50 12.115 -1.026 2.831 360 2HB HIS 50 1HB HIS 50 13.462 -1.848 3.611 361 HD1 HIS 50 HD1 HIS 50 15.060 -2.928 2.068 362 HD2 HIS 50 HD2 HIS 50 11.317 -2.439 0.325 363 HE1 HIS 50 HE1 HIS 50 15.312 -3.694 -0.315 364 HE2 HIS 50 HE2 HIS 50 12.981 -3.615 -1.269 365 H TYR 51 H TYR 51 12.320 -3.925 5.927 366 HA TYR 51 HA TYR 51 10.679 -2.077 7.500 367 1HB TYR 51 2HB TYR 51 11.684 -4.842 7.947 368 2HB TYR 51 1HB TYR 51 11.415 -3.818 9.355 369 HD1 TYR 51 HD1 TYR 51 9.785 -5.424 6.461 370 HD2 TYR 51 HD2 TYR 51 9.225 -3.275 10.084 371 HE1 TYR 51 HE1 TYR 51 7.381 -5.943 6.395 372 HE2 TYR 51 HE2 TYR 51 6.826 -3.790 10.029 373 HH TYR 51 HH TYR 51 5.121 -4.408 8.506 374 H SER 52 H SER 52 11.458 -0.886 9.154 375 HA SER 52 HA SER 52 14.350 -0.497 9.247 376 1HB SER 52 2HB SER 52 12.726 1.435 8.962 377 2HB SER 52 1HB SER 52 12.174 1.117 10.604 378 HG SER 52 HG SER 52 14.513 2.286 9.694 379 H ASP 53 H ASP 53 14.137 0.613 11.958 380 HA ASP 53 HA ASP 53 14.878 -1.383 13.638 381 1HB ASP 53 2HB ASP 53 14.931 0.947 14.297 382 2HB ASP 53 1HB ASP 53 13.173 1.034 14.273 383 H ASP 54 H ASP 54 11.568 -0.171 13.415 384 HA ASP 54 HA ASP 54 10.546 -2.881 13.841 385 1HB ASP 54 2HB ASP 54 10.550 -1.946 16.054 386 2HB ASP 54 1HB ASP 54 9.783 -0.468 15.488 387 H ARG 55 H ARG 55 10.271 0.145 12.296 388 HA ARG 55 HA ARG 55 7.470 -0.294 11.591 389 1HB ARG 55 2HB ARG 55 9.150 2.208 11.366 390 2HB ARG 55 1HB ARG 55 7.428 2.084 11.036 391 1HG ARG 55 2HG ARG 55 6.976 1.603 13.358 392 2HG ARG 55 1HG ARG 55 8.701 1.597 13.722 393 1HD ARG 55 2HD ARG 55 7.651 3.706 14.379 394 2HD ARG 55 1HD ARG 55 8.854 3.950 13.111 395 HE ARG 55 HE ARG 55 6.135 3.610 12.168 396 1HH1 ARG 55 1HH1 ARG 55 8.639 5.880 13.147 397 2HH1 ARG 55 2HH1 ARG 55 7.878 7.234 12.363 398 1HH2 ARG 55 1HH2 ARG 55 5.142 5.378 11.158 399 2HH2 ARG 55 2HH2 ARG 55 5.883 6.958 11.251 400 HA PRO 56 HA PRO 56 8.708 -1.095 7.393 401 1HB PRO 56 2HB PRO 56 6.430 -0.390 6.101 402 2HB PRO 56 1HB PRO 56 6.569 -1.878 7.044 403 1HG PRO 56 2HG PRO 56 5.327 0.736 7.801 404 2HG PRO 56 1HG PRO 56 4.748 -0.911 8.111 405 1HD PRO 56 2HD PRO 56 6.020 0.596 9.984 406 2HD PRO 56 1HD PRO 56 6.102 -1.176 9.944 407 H HIS 57 H HIS 57 9.361 0.004 5.514 408 HA HIS 57 HA HIS 57 8.794 2.861 5.321 409 1HB HIS 57 2HB HIS 57 11.365 1.751 6.130 410 2HB HIS 57 1HB HIS 57 11.498 2.750 4.687 411 HD1 HIS 57 HD1 HIS 57 9.239 3.357 7.687 412 HD2 HIS 57 HD2 HIS 57 12.463 5.074 5.694 413 HE1 HIS 57 HE1 HIS 57 9.632 5.579 8.809 414 HE2 HIS 57 HE2 HIS 57 11.631 6.574 7.638 415 H LEU 58 H LEU 58 8.864 3.671 3.260 416 HA LEU 58 HA LEU 58 9.255 1.667 1.141 417 1HB LEU 58 2HB LEU 58 7.392 4.028 1.255 418 2HB LEU 58 1HB LEU 58 7.674 3.073 -0.189 419 HG LEU 58 HG LEU 58 6.548 1.982 2.395 420 1HD1 LEU 58 1HD1 LEU 58 5.157 2.663 -0.191 421 2HD1 LEU 58 2HD1 LEU 58 5.002 3.537 1.331 422 3HD1 LEU 58 3HD1 LEU 58 4.422 1.875 1.206 423 1HD2 LEU 58 1HD2 LEU 58 6.046 -0.003 1.067 424 2HD2 LEU 58 2HD2 LEU 58 7.778 0.327 1.069 425 3HD2 LEU 58 3HD2 LEU 58 6.804 0.735 -0.345 426 H TYR 59 H TYR 59 10.551 2.091 -0.531 427 HA TYR 59 HA TYR 59 12.017 4.635 -0.465 428 1HB TYR 59 2HB TYR 59 12.824 1.920 -1.532 429 2HB TYR 59 1HB TYR 59 13.790 3.380 -1.715 430 HD1 TYR 59 HD1 TYR 59 12.594 0.834 0.636 431 HD2 TYR 59 HD2 TYR 59 14.986 4.323 0.172 432 HE1 TYR 59 HE1 TYR 59 13.636 0.405 2.823 433 HE2 TYR 59 HE2 TYR 59 16.035 3.902 2.353 434 HH TYR 59 HH TYR 59 15.724 0.962 4.007 435 H LYS 60 H LYS 60 13.141 4.552 -3.006 436 HA LYS 60 HA LYS 60 10.912 5.573 -4.495 437 1HB LYS 60 2HB LYS 60 13.786 5.235 -5.376 438 2HB LYS 60 1HB LYS 60 12.566 6.240 -6.150 439 1HG LYS 60 2HG LYS 60 12.433 7.597 -4.082 440 2HG LYS 60 1HG LYS 60 13.743 6.631 -3.404 441 1HD LYS 60 2HD LYS 60 14.686 8.647 -4.272 442 2HD LYS 60 1HD LYS 60 15.155 7.327 -5.343 443 1HE LYS 60 2HE LYS 60 13.413 7.944 -6.911 444 2HE LYS 60 1HE LYS 60 12.853 9.212 -5.820 445 1HZ LYS 60 1HZ LYS 60 14.227 10.123 -7.571 446 2HZ LYS 60 2HZ LYS 60 15.514 9.110 -7.143 447 3HZ LYS 60 3HZ LYS 60 14.998 10.318 -6.072 448 H LEU 61 H LEU 61 12.374 2.541 -4.226 449 HA LEU 61 HA LEU 61 10.579 1.418 -6.126 450 1HB LEU 61 2HB LEU 61 12.160 0.387 -7.630 451 2HB LEU 61 1HB LEU 61 12.368 2.119 -7.665 452 HG LEU 61 HG LEU 61 14.526 1.197 -7.832 453 1HD1 LEU 61 1HD1 LEU 61 15.705 1.910 -5.819 454 2HD1 LEU 61 2HD1 LEU 61 14.168 1.997 -4.957 455 3HD1 LEU 61 3HD1 LEU 61 14.477 3.073 -6.320 456 1HD2 LEU 61 1HD2 LEU 61 13.891 -0.577 -5.483 457 2HD2 LEU 61 2HD2 LEU 61 15.461 -0.452 -6.274 458 3HD2 LEU 61 3HD2 LEU 61 14.073 -1.075 -7.166 459 H GLY 62 H GLY 62 10.668 -0.991 -6.075 460 1HA GLY 62 2HA GLY 62 12.073 -2.787 -4.870 461 2HA GLY 62 1HA GLY 62 11.673 -1.846 -3.444 462 HA PRO 63 HA PRO 63 7.887 -3.885 -2.773 463 1HB PRO 63 2HB PRO 63 5.839 -2.087 -3.016 464 2HB PRO 63 1HB PRO 63 6.930 -2.168 -1.629 465 1HG PRO 63 2HG PRO 63 6.999 -0.335 -3.990 466 2HG PRO 63 1HG PRO 63 7.287 0.029 -2.279 467 1HD PRO 63 2HD PRO 63 9.304 -0.268 -4.037 468 2HD PRO 63 1HD PRO 63 9.450 -0.781 -2.343 469 H GLU 64 H GLU 64 6.495 -5.195 -3.723 470 HA GLU 64 HA GLU 64 5.658 -4.646 -6.499 471 1HB GLU 64 2HB GLU 64 6.435 -7.248 -5.169 472 2HB GLU 64 1HB GLU 64 5.609 -7.171 -6.716 473 1HG GLU 64 2HG GLU 64 8.226 -5.797 -6.238 474 2HG GLU 64 1HG GLU 64 8.124 -7.482 -6.743 475 H LEU 65 H LEU 65 3.522 -5.291 -7.049 476 HA LEU 65 HA LEU 65 1.782 -5.808 -4.755 477 1HB LEU 65 2HB LEU 65 1.147 -4.995 -7.592 478 2HB LEU 65 1HB LEU 65 -0.081 -5.456 -6.429 479 HG LEU 65 HG LEU 65 1.025 -3.556 -4.980 480 1HD1 LEU 65 1HD1 LEU 65 1.800 -1.684 -6.346 481 2HD1 LEU 65 2HD1 LEU 65 1.732 -2.704 -7.782 482 3HD1 LEU 65 3HD1 LEU 65 2.864 -3.082 -6.483 483 1HD2 LEU 65 1HD2 LEU 65 -1.281 -3.552 -5.658 484 2HD2 LEU 65 2HD2 LEU 65 -0.841 -3.078 -7.300 485 3HD2 LEU 65 3HD2 LEU 65 -0.587 -1.959 -5.957 486 H THR 66 H THR 66 0.456 -7.589 -4.628 487 HA THR 66 HA THR 66 1.399 -9.930 -6.045 488 HB THR 66 HB THR 66 -0.189 -11.158 -4.604 489 HG1 THR 66 HG1 THR 66 -1.262 -9.835 -2.938 490 1HG2 THR 66 1HG2 THR 66 0.873 -10.696 -2.458 491 2HG2 THR 66 2HG2 THR 66 1.459 -9.146 -3.062 492 3HG2 THR 66 3HG2 THR 66 2.066 -10.650 -3.757 493 H GLU 67 H GLU 67 -0.487 -11.533 -6.667 494 HA GLU 67 HA GLU 67 -2.026 -10.453 -8.759 495 1HB GLU 67 2HB GLU 67 -1.404 -12.881 -8.449 496 2HB GLU 67 1HB GLU 67 -2.633 -12.972 -7.197 497 1HG GLU 67 2HG GLU 67 -3.559 -13.842 -9.199 498 2HG GLU 67 1HG GLU 67 -4.320 -12.282 -8.882 499 H LYS 68 H LYS 68 -2.755 -11.239 -5.398 500 HA LYS 68 HA LYS 68 -5.481 -10.603 -5.389 501 1HB LYS 68 2HB LYS 68 -4.390 -11.785 -3.541 502 2HB LYS 68 1HB LYS 68 -3.459 -10.344 -3.155 503 1HG LYS 68 2HG LYS 68 -5.554 -9.157 -2.635 504 2HG LYS 68 1HG LYS 68 -6.450 -10.640 -2.961 505 1HD LYS 68 2HD LYS 68 -4.316 -10.330 -0.852 506 2HD LYS 68 1HD LYS 68 -6.054 -10.269 -0.550 507 1HE LYS 68 2HE LYS 68 -6.249 -12.565 -1.446 508 2HE LYS 68 1HE LYS 68 -4.497 -12.614 -1.638 509 1HZ LYS 68 1HZ LYS 68 -5.202 -13.693 0.404 510 2HZ LYS 68 2HZ LYS 68 -5.955 -12.266 0.929 511 3HZ LYS 68 3HZ LYS 68 -4.269 -12.317 0.757 512 H GLY 69 H GLY 69 -2.652 -8.573 -4.654 513 1HA GLY 69 2HA GLY 69 -4.148 -6.263 -3.967 514 2HA GLY 69 1HA GLY 69 -2.441 -6.301 -4.377 515 H GLU 70 H GLU 70 -2.491 -7.186 -6.967 516 HA GLU 70 HA GLU 70 -3.014 -4.785 -8.351 517 1HB GLU 70 2HB GLU 70 -1.270 -6.403 -8.988 518 2HB GLU 70 1HB GLU 70 -2.512 -7.558 -9.443 519 1HG GLU 70 2HG GLU 70 -1.660 -6.539 -11.418 520 2HG GLU 70 1HG GLU 70 -3.303 -5.972 -11.153 521 H ASN 71 H ASN 71 -4.841 -7.801 -8.073 522 HA ASN 71 HA ASN 71 -6.826 -6.991 -9.986 523 1HB ASN 71 2HB ASN 71 -6.659 -9.254 -8.010 524 2HB ASN 71 1HB ASN 71 -8.128 -8.944 -8.933 525 1HD2 ASN 71 1HD2 ASN 71 -6.294 -11.233 -8.991 526 2HD2 ASN 71 2HD2 ASN 71 -5.761 -11.362 -10.632 527 H TYR 72 H TYR 72 -6.468 -6.843 -6.496 528 HA TYR 72 HA TYR 72 -9.092 -6.174 -5.796 529 1HB TYR 72 2HB TYR 72 -7.174 -6.747 -4.237 530 2HB TYR 72 1HB TYR 72 -6.597 -5.100 -4.465 531 HD1 TYR 72 HD1 TYR 72 -9.582 -7.025 -3.352 532 HD2 TYR 72 HD2 TYR 72 -7.375 -3.401 -3.070 533 HE1 TYR 72 HE1 TYR 72 -11.056 -6.280 -1.532 534 HE2 TYR 72 HE2 TYR 72 -8.842 -2.644 -1.247 535 HH TYR 72 HH TYR 72 -10.909 -4.673 0.415 536 H LEU 73 H LEU 73 -6.393 -4.174 -6.883 537 HA LEU 73 HA LEU 73 -7.532 -1.649 -6.582 538 1HB LEU 73 2HB LEU 73 -5.651 -2.644 -8.728 539 2HB LEU 73 1HB LEU 73 -6.025 -0.956 -8.441 540 HG LEU 73 HG LEU 73 -4.660 -2.800 -6.479 541 1HD1 LEU 73 1HD1 LEU 73 -3.274 -2.259 -8.419 542 2HD1 LEU 73 2HD1 LEU 73 -2.672 -1.484 -6.952 543 3HD1 LEU 73 3HD1 LEU 73 -3.563 -0.541 -8.147 544 1HD2 LEU 73 1HD2 LEU 73 -5.263 0.154 -6.357 545 2HD2 LEU 73 2HD2 LEU 73 -4.245 -0.722 -5.215 546 3HD2 LEU 73 3HD2 LEU 73 -5.963 -1.105 -5.341 547 H LYS 74 H LYS 74 -7.746 -3.928 -9.280 548 HA LYS 74 HA LYS 74 -9.179 -2.140 -10.963 549 1HB LYS 74 2HB LYS 74 -8.824 -5.133 -11.153 550 2HB LYS 74 1HB LYS 74 -9.487 -4.110 -12.422 551 1HG LYS 74 2HG LYS 74 -7.346 -2.860 -12.463 552 2HG LYS 74 1HG LYS 74 -6.694 -4.020 -11.303 553 1HD LYS 74 2HD LYS 74 -7.095 -5.831 -12.899 554 2HD LYS 74 1HD LYS 74 -7.745 -4.667 -14.053 555 1HE LYS 74 2HE LYS 74 -5.480 -5.122 -14.663 556 2HE LYS 74 1HE LYS 74 -5.549 -3.489 -13.999 557 1HZ LYS 74 1HZ LYS 74 -4.641 -5.929 -12.570 558 2HZ LYS 74 2HZ LYS 74 -4.740 -4.382 -11.883 559 3HZ LYS 74 3HZ LYS 74 -3.650 -4.682 -13.143 560 H GLU 75 H GLU 75 -10.153 -4.792 -8.826 561 HA GLU 75 HA GLU 75 -12.888 -4.720 -9.663 562 1HB GLU 75 2HB GLU 75 -11.623 -5.917 -7.195 563 2HB GLU 75 1HB GLU 75 -13.302 -6.141 -7.663 564 1HG GLU 75 2HG GLU 75 -12.458 -7.122 -9.819 565 2HG GLU 75 1HG GLU 75 -10.845 -7.097 -9.107 566 H ASN 76 H ASN 76 -11.073 -3.272 -7.018 567 HA ASN 76 HA ASN 76 -13.496 -2.050 -5.941 568 1HB ASN 76 2HB ASN 76 -11.586 -3.108 -4.536 569 2HB ASN 76 1HB ASN 76 -10.718 -1.612 -4.866 570 1HD2 ASN 76 1HD2 ASN 76 -11.381 0.280 -3.881 571 2HD2 ASN 76 2HD2 ASN 76 -12.533 0.308 -2.596 572 H GLY 77 H GLY 77 -11.597 -1.389 -8.435 573 1HA GLY 77 2HA GLY 77 -10.654 1.187 -8.280 574 2HA GLY 77 1HA GLY 77 -11.284 0.459 -9.743 575 H THR 78 H THR 78 -13.953 0.312 -8.081 576 HA THR 78 HA THR 78 -14.992 2.815 -8.969 577 HB THR 78 HB THR 78 -16.612 1.187 -9.099 578 HG1 THR 78 HG1 THR 78 -17.701 2.812 -8.085 579 1HG2 THR 78 1HG2 THR 78 -15.513 -0.606 -7.952 580 2HG2 THR 78 2HG2 THR 78 -17.143 -0.447 -7.297 581 3HG2 THR 78 3HG2 THR 78 -15.764 0.166 -6.388 582 H TRP 79 H TRP 79 -15.905 1.838 -5.734 583 HA TRP 79 HA TRP 79 -15.842 2.908 -3.739 584 1HB TRP 79 2HB TRP 79 -13.454 2.069 -4.023 585 2HB TRP 79 1HB TRP 79 -13.028 3.704 -4.517 586 HD1 TRP 79 HD1 TRP 79 -15.300 2.678 -1.541 587 HE1 TRP 79 HE1 TRP 79 -14.306 3.686 0.612 588 HE3 TRP 79 HE3 TRP 79 -11.026 4.695 -3.499 589 HZ2 TRP 79 HZ2 TRP 79 -12.002 5.124 1.373 590 HZ3 TRP 79 HZ3 TRP 79 -9.474 5.863 -1.985 591 HH2 TRP 79 HH2 TRP 79 -9.954 6.074 0.400 592 H SER 80 H SER 80 -14.237 5.332 -3.145 593 HA SER 80 HA SER 80 -14.591 7.557 -2.989 594 1HB SER 80 2HB SER 80 -14.517 8.808 -5.130 595 2HB SER 80 1HB SER 80 -13.279 7.562 -5.019 596 HG SER 80 HG SER 80 -15.276 6.361 -6.153 597 H LYS 81 H LYS 81 -17.022 5.833 -2.929 598 HA LYS 81 HA LYS 81 -19.074 7.403 -4.201 599 1HB LYS 81 2HB LYS 81 -19.239 5.024 -2.343 600 2HB LYS 81 1HB LYS 81 -20.641 5.803 -3.063 601 1HG LYS 81 2HG LYS 81 -19.814 5.233 -5.291 602 2HG LYS 81 1HG LYS 81 -18.401 4.460 -4.570 603 1HD LYS 81 2HD LYS 81 -19.932 2.913 -3.370 604 2HD LYS 81 1HD LYS 81 -21.284 3.632 -4.244 605 1HE LYS 81 2HE LYS 81 -18.910 2.356 -5.588 606 2HE LYS 81 1HE LYS 81 -20.395 1.488 -5.214 607 1HZ LYS 81 1HZ LYS 81 -20.374 3.959 -6.862 608 2HZ LYS 81 2HZ LYS 81 -21.609 2.802 -6.723 609 3HZ LYS 81 3HZ LYS 81 -20.173 2.419 -7.530 610 H ALA 82 H ALA 82 -18.273 9.347 -3.023 611 HA ALA 82 HA ALA 82 -19.505 9.600 -0.376 612 1HB ALA 82 1HB ALA 82 -18.423 11.791 -0.285 613 2HB ALA 82 2HB ALA 82 -17.827 11.576 -1.931 614 3HB ALA 82 3HB ALA 82 -17.246 10.526 -0.639 Start of MODEL 14 1 H LYS 5 H LYS 5 -9.680 -0.831 5.714 2 HA LYS 5 HA LYS 5 -11.991 0.663 4.712 3 1HB LYS 5 2HB LYS 5 -10.246 1.501 7.030 4 2HB LYS 5 1HB LYS 5 -11.474 2.508 6.279 5 1HG LYS 5 2HG LYS 5 -13.164 0.786 6.909 6 2HG LYS 5 1HG LYS 5 -11.892 -0.045 7.808 7 1HD LYS 5 2HD LYS 5 -13.182 1.351 9.307 8 2HD LYS 5 1HD LYS 5 -11.544 1.987 9.152 9 1HE LYS 5 2HE LYS 5 -12.348 3.634 7.517 10 2HE LYS 5 1HE LYS 5 -13.985 3.008 7.698 11 1HZ LYS 5 1HZ LYS 5 -13.939 3.658 10.027 12 2HZ LYS 5 2HZ LYS 5 -13.639 4.997 9.026 13 3HZ LYS 5 3HZ LYS 5 -12.361 4.253 9.853 14 H LEU 6 H LEU 6 -8.760 1.724 5.793 15 HA LEU 6 HA LEU 6 -8.557 3.189 3.287 16 1HB LEU 6 2HB LEU 6 -7.033 3.337 5.872 17 2HB LEU 6 1HB LEU 6 -6.463 4.150 4.428 18 HG LEU 6 HG LEU 6 -7.602 5.773 5.723 19 1HD1 LEU 6 1HD1 LEU 6 -9.472 6.431 4.280 20 2HD1 LEU 6 2HD1 LEU 6 -9.434 4.838 3.523 21 3HD1 LEU 6 3HD1 LEU 6 -8.058 5.929 3.358 22 1HD2 LEU 6 1HD2 LEU 6 -9.914 5.513 6.496 23 2HD2 LEU 6 2HD2 LEU 6 -8.840 4.308 7.205 24 3HD2 LEU 6 3HD2 LEU 6 -9.922 3.857 5.888 25 H ARG 7 H ARG 7 -7.436 0.259 4.535 26 HA ARG 7 HA ARG 7 -4.792 0.150 3.572 27 1HB ARG 7 2HB ARG 7 -6.383 -2.340 3.376 28 2HB ARG 7 1HB ARG 7 -4.825 -2.068 4.135 29 1HG ARG 7 2HG ARG 7 -7.475 -1.264 5.315 30 2HG ARG 7 1HG ARG 7 -6.610 -2.751 5.694 31 1HD ARG 7 2HD ARG 7 -4.685 -1.316 6.428 32 2HD ARG 7 1HD ARG 7 -5.758 0.075 6.258 33 HE ARG 7 HE ARG 7 -6.982 -1.920 7.854 34 1HH1 ARG 7 1HH1 ARG 7 -4.536 0.593 7.992 35 2HH1 ARG 7 2HH1 ARG 7 -4.600 0.717 9.722 36 1HH2 ARG 7 1HH2 ARG 7 -7.042 -1.736 10.129 37 2HH2 ARG 7 2HH2 ARG 7 -5.983 -0.604 10.925 38 H TYR 8 H TYR 8 -7.807 -1.001 2.213 39 HA TYR 8 HA TYR 8 -7.073 -1.892 -0.267 40 1HB TYR 8 2HB TYR 8 -9.265 -2.177 0.690 41 2HB TYR 8 1HB TYR 8 -9.545 -0.446 0.683 42 HD1 TYR 8 HD1 TYR 8 -11.351 -0.081 -0.650 43 HD2 TYR 8 HD2 TYR 8 -8.309 -2.709 -2.021 44 HE1 TYR 8 HE1 TYR 8 -12.519 -0.294 -2.791 45 HE2 TYR 8 HE2 TYR 8 -9.471 -2.933 -4.176 46 HH TYR 8 HH TYR 8 -11.655 -2.683 -5.104 47 H ALA 9 H ALA 9 -7.870 1.438 0.663 48 HA ALA 9 HA ALA 9 -7.770 2.414 -2.013 49 1HB ALA 9 1HB ALA 9 -9.203 3.449 -0.370 50 2HB ALA 9 2HB ALA 9 -8.034 4.622 -0.983 51 3HB ALA 9 3HB ALA 9 -7.804 3.895 0.608 52 H ILE 10 H ILE 10 -5.512 2.481 0.726 53 HA ILE 10 HA ILE 10 -3.657 4.287 -0.348 54 HB ILE 10 HB ILE 10 -3.199 2.007 1.585 55 1HG1 ILE 10 2HG1 ILE 10 -3.574 4.980 2.019 56 2HG1 ILE 10 1HG1 ILE 10 -4.777 3.738 2.346 57 1HG2 ILE 10 1HG2 ILE 10 -1.381 4.328 0.927 58 2HG2 ILE 10 2HG2 ILE 10 -1.091 2.634 0.522 59 3HG2 ILE 10 3HG2 ILE 10 -1.121 3.146 2.210 60 1HD1 ILE 10 1HD1 ILE 10 -3.343 2.785 4.061 61 2HD1 ILE 10 2HD1 ILE 10 -3.675 4.487 4.381 62 3HD1 ILE 10 3HD1 ILE 10 -2.114 4.002 3.720 63 H LEU 11 H LEU 11 -4.124 0.873 -0.931 64 HA LEU 11 HA LEU 11 -1.727 0.140 -2.090 65 1HB LEU 11 2HB LEU 11 -4.547 -0.662 -2.770 66 2HB LEU 11 1HB LEU 11 -3.147 -1.419 -3.502 67 HG LEU 11 HG LEU 11 -3.743 -1.407 -0.540 68 1HD1 LEU 11 1HD1 LEU 11 -4.095 -3.580 -2.601 69 2HD1 LEU 11 2HD1 LEU 11 -5.385 -2.730 -1.751 70 3HD1 LEU 11 3HD1 LEU 11 -4.281 -3.778 -0.860 71 1HD2 LEU 11 1HD2 LEU 11 -1.356 -1.544 -1.088 72 2HD2 LEU 11 2HD2 LEU 11 -1.682 -2.916 -2.148 73 3HD2 LEU 11 3HD2 LEU 11 -1.959 -3.055 -0.411 74 H LYS 12 H LYS 12 -4.389 1.973 -3.516 75 HA LYS 12 HA LYS 12 -3.320 1.853 -6.171 76 1HB LYS 12 2HB LYS 12 -5.743 2.190 -5.708 77 2HB LYS 12 1HB LYS 12 -5.365 3.787 -5.078 78 1HG LYS 12 2HG LYS 12 -4.444 4.407 -7.278 79 2HG LYS 12 1HG LYS 12 -4.921 2.825 -7.894 80 1HD LYS 12 2HD LYS 12 -6.588 4.439 -8.513 81 2HD LYS 12 1HD LYS 12 -7.268 3.353 -7.302 82 1HE LYS 12 2HE LYS 12 -7.895 5.656 -6.845 83 2HE LYS 12 1HE LYS 12 -6.852 5.031 -5.568 84 1HZ LYS 12 1HZ LYS 12 -5.142 6.399 -6.158 85 2HZ LYS 12 2HZ LYS 12 -6.441 7.375 -6.630 86 3HZ LYS 12 3HZ LYS 12 -5.595 6.475 -7.795 87 H GLU 13 H GLU 13 -3.203 4.175 -3.521 88 HA GLU 13 HA GLU 13 -2.032 6.273 -5.007 89 1HB GLU 13 2HB GLU 13 -1.928 5.698 -2.043 90 2HB GLU 13 1HB GLU 13 -1.397 7.199 -2.791 91 1HG GLU 13 2HG GLU 13 -4.194 6.084 -2.787 92 2HG GLU 13 1HG GLU 13 -3.610 7.476 -1.875 93 H ILE 14 H ILE 14 -0.694 3.515 -3.293 94 HA ILE 14 HA ILE 14 2.038 4.220 -3.650 95 HB ILE 14 HB ILE 14 0.715 1.529 -3.271 96 1HG1 ILE 14 2HG1 ILE 14 2.322 3.236 -1.361 97 2HG1 ILE 14 1HG1 ILE 14 0.566 3.146 -1.386 98 1HG2 ILE 14 1HG2 ILE 14 2.822 1.207 -4.426 99 2HG2 ILE 14 2HG2 ILE 14 2.953 0.659 -2.754 100 3HG2 ILE 14 3HG2 ILE 14 3.652 2.207 -3.234 101 1HD1 ILE 14 1HD1 ILE 14 0.666 0.786 -0.811 102 2HD1 ILE 14 2HD1 ILE 14 1.518 1.769 0.379 103 3HD1 ILE 14 3HD1 ILE 14 2.430 0.855 -0.820 104 H PHE 15 H PHE 15 -0.278 2.332 -5.516 105 HA PHE 15 HA PHE 15 1.485 1.412 -7.510 106 1HB PHE 15 2HB PHE 15 -0.801 0.503 -7.023 107 2HB PHE 15 1HB PHE 15 -1.484 1.943 -7.767 108 HD1 PHE 15 HD1 PHE 15 -1.418 2.254 -10.174 109 HD2 PHE 15 HD2 PHE 15 0.239 -1.215 -8.353 110 HE1 PHE 15 HE1 PHE 15 -1.358 1.133 -12.366 111 HE2 PHE 15 HE2 PHE 15 0.308 -2.338 -10.534 112 HZ PHE 15 HZ PHE 15 -0.491 -1.163 -12.549 113 H GLU 16 H GLU 16 -0.743 4.191 -7.465 114 HA GLU 16 HA GLU 16 0.058 5.044 -10.087 115 1HB GLU 16 2HB GLU 16 -1.526 6.617 -8.054 116 2HB GLU 16 1HB GLU 16 -1.488 6.859 -9.794 117 1HG GLU 16 2HG GLU 16 -2.344 4.329 -9.740 118 2HG GLU 16 1HG GLU 16 -2.959 4.871 -8.183 119 H GLY 17 H GLY 17 1.169 5.565 -6.899 120 1HA GLY 17 2HA GLY 17 2.546 8.040 -7.484 121 2HA GLY 17 1HA GLY 17 2.684 7.085 -6.014 122 H ASN 18 H ASN 18 3.112 4.708 -7.908 123 HA ASN 18 HA ASN 18 4.829 3.502 -8.779 124 1HB ASN 18 2HB ASN 18 4.799 5.677 -10.276 125 2HB ASN 18 1HB ASN 18 6.334 5.997 -9.479 126 1HD2 ASN 18 1HD2 ASN 18 7.179 3.250 -9.309 127 2HD2 ASN 18 2HD2 ASN 18 7.559 2.735 -10.921 128 H THR 19 H THR 19 4.888 4.805 -6.043 129 HA THR 19 HA THR 19 6.141 5.010 -4.199 130 HB THR 19 HB THR 19 7.957 3.393 -3.819 131 HG1 THR 19 HG1 THR 19 7.885 3.222 -6.565 132 1HG2 THR 19 1HG2 THR 19 5.657 2.719 -3.430 133 2HG2 THR 19 2HG2 THR 19 6.588 1.361 -4.064 134 3HG2 THR 19 3HG2 THR 19 5.486 2.246 -5.119 135 HA PRO 20 HA PRO 20 7.692 4.914 -2.586 136 1HB PRO 20 2HB PRO 20 8.599 6.784 -0.891 137 2HB PRO 20 1HB PRO 20 9.692 5.621 -1.652 138 1HG PRO 20 2HG PRO 20 9.137 8.468 -2.399 139 2HG PRO 20 1HG PRO 20 10.693 7.622 -2.299 140 1HD PRO 20 2HD PRO 20 9.358 8.044 -4.640 141 2HD PRO 20 1HD PRO 20 10.447 6.672 -4.370 142 H LEU 21 H LEU 21 6.411 5.838 -0.669 143 HA LEU 21 HA LEU 21 4.922 8.267 -1.236 144 1HB LEU 21 2HB LEU 21 3.604 6.517 -2.342 145 2HB LEU 21 1HB LEU 21 3.573 5.587 -0.856 146 HG LEU 21 HG LEU 21 2.332 7.513 0.205 147 1HD1 LEU 21 1HD1 LEU 21 1.203 9.076 -1.289 148 2HD1 LEU 21 2HD1 LEU 21 2.078 8.401 -2.663 149 3HD1 LEU 21 3HD1 LEU 21 2.955 9.245 -1.387 150 1HD2 LEU 21 1HD2 LEU 21 0.195 6.870 -0.760 151 2HD2 LEU 21 2HD2 LEU 21 1.226 5.461 -0.519 152 3HD2 LEU 21 3HD2 LEU 21 1.020 6.138 -2.135 153 H SER 22 H SER 22 5.036 9.373 0.599 154 HA SER 22 HA SER 22 5.301 8.021 3.143 155 1HB SER 22 2HB SER 22 5.072 10.984 2.567 156 2HB SER 22 1HB SER 22 5.622 10.240 4.069 157 HG SER 22 HG SER 22 6.884 10.138 1.524 158 H GLU 23 H GLU 23 3.887 8.733 4.979 159 HA GLU 23 HA GLU 23 1.177 8.205 4.327 160 1HB GLU 23 2HB GLU 23 0.983 9.022 6.882 161 2HB GLU 23 1HB GLU 23 1.510 7.418 6.411 162 1HG GLU 23 2HG GLU 23 2.952 8.273 8.115 163 2HG GLU 23 1HG GLU 23 3.845 8.136 6.604 164 H ASN 24 H ASN 24 2.970 11.133 5.043 165 HA ASN 24 HA ASN 24 0.772 12.870 5.328 166 1HB ASN 24 2HB ASN 24 3.160 13.386 5.907 167 2HB ASN 24 1HB ASN 24 3.487 13.546 4.184 168 1HD2 ASN 24 1HD2 ASN 24 1.965 14.952 6.954 169 2HD2 ASN 24 2HD2 ASN 24 1.641 16.499 6.248 170 H ASP 25 H ASP 25 2.482 11.664 2.509 171 HA ASP 25 HA ASP 25 1.346 13.497 0.653 172 1HB ASP 25 2HB ASP 25 2.681 10.820 0.230 173 2HB ASP 25 1HB ASP 25 2.187 11.891 -1.077 174 H ILE 26 H ILE 26 0.425 10.307 1.812 175 HA ILE 26 HA ILE 26 -1.715 10.110 -0.126 176 HB ILE 26 HB ILE 26 -0.505 8.086 0.563 177 1HG1 ILE 26 2HG1 ILE 26 -3.010 8.109 -0.122 178 2HG1 ILE 26 1HG1 ILE 26 -2.323 6.638 0.552 179 1HG2 ILE 26 1HG2 ILE 26 -0.021 8.630 2.853 180 2HG2 ILE 26 2HG2 ILE 26 -0.861 7.084 2.760 181 3HG2 ILE 26 3HG2 ILE 26 -1.731 8.532 3.267 182 1HD1 ILE 26 1HD1 ILE 26 -4.030 8.643 2.015 183 2HD1 ILE 26 2HD1 ILE 26 -3.317 7.195 2.727 184 3HD1 ILE 26 3HD1 ILE 26 -4.525 7.047 1.452 185 H GLY 27 H GLY 27 -1.331 10.920 3.290 186 1HA GLY 27 2HA GLY 27 -2.826 12.687 4.085 187 2HA GLY 27 1HA GLY 27 -4.126 11.877 3.224 188 H VAL 28 H VAL 28 -1.722 10.199 5.157 189 HA VAL 28 HA VAL 28 -3.685 9.868 7.315 190 HB VAL 28 HB VAL 28 -3.132 7.484 7.548 191 1HG1 VAL 28 1HG1 VAL 28 -5.135 8.069 6.326 192 2HG1 VAL 28 2HG1 VAL 28 -4.388 6.642 5.608 193 3HG1 VAL 28 3HG1 VAL 28 -4.212 8.215 4.830 194 1HG2 VAL 28 1HG2 VAL 28 -1.634 7.827 4.956 195 2HG2 VAL 28 2HG2 VAL 28 -1.980 6.288 5.743 196 3HG2 VAL 28 3HG2 VAL 28 -0.933 7.465 6.533 197 H THR 29 H THR 29 -2.563 8.735 9.241 198 HA THR 29 HA THR 29 -0.078 10.118 9.781 199 HB THR 29 HB THR 29 -0.335 9.081 12.038 200 HG1 THR 29 HG1 THR 29 -2.785 8.277 12.080 201 1HG2 THR 29 1HG2 THR 29 -2.338 10.382 12.675 202 2HG2 THR 29 2HG2 THR 29 -2.739 10.571 10.968 203 3HG2 THR 29 3HG2 THR 29 -1.264 11.293 11.612 204 H GLU 30 H GLU 30 1.762 8.880 10.793 205 HA GLU 30 HA GLU 30 2.524 6.585 9.299 206 1HB GLU 30 2HB GLU 30 3.636 7.378 11.993 207 2HB GLU 30 1HB GLU 30 4.446 6.474 10.719 208 1HG GLU 30 2HG GLU 30 4.291 8.519 9.300 209 2HG GLU 30 1HG GLU 30 3.701 9.375 10.720 210 H ASP 31 H ASP 31 1.061 7.150 12.386 211 HA ASP 31 HA ASP 31 0.865 4.689 13.577 212 1HB ASP 31 2HB ASP 31 -0.121 6.990 14.218 213 2HB ASP 31 1HB ASP 31 -1.496 6.528 13.209 214 H GLN 32 H GLN 32 -1.371 6.104 11.277 215 HA GLN 32 HA GLN 32 -2.912 3.747 10.904 216 1HB GLN 32 2HB GLN 32 -3.724 6.094 10.680 217 2HB GLN 32 1HB GLN 32 -2.764 6.244 9.216 218 1HG GLN 32 2HG GLN 32 -5.059 5.849 8.683 219 2HG GLN 32 1HG GLN 32 -4.073 4.481 8.179 220 1HE2 GLN 32 1HE2 GLN 32 -4.995 5.099 11.479 221 2HE2 GLN 32 2HE2 GLN 32 -6.048 3.737 11.647 222 H PHE 33 H PHE 33 -0.215 5.236 9.235 223 HA PHE 33 HA PHE 33 -0.439 3.826 6.797 224 1HB PHE 33 2HB PHE 33 0.895 5.924 7.213 225 2HB PHE 33 1HB PHE 33 2.100 4.923 8.010 226 HD1 PHE 33 HD1 PHE 33 3.736 3.788 6.768 227 HD2 PHE 33 HD2 PHE 33 0.377 5.491 4.787 228 HE1 PHE 33 HE1 PHE 33 4.805 3.356 4.594 229 HE2 PHE 33 HE2 PHE 33 1.435 5.057 2.609 230 HZ PHE 33 HZ PHE 33 3.653 3.992 2.512 231 H ASP 34 H ASP 34 1.646 3.264 9.644 232 HA ASP 34 HA ASP 34 2.823 0.898 8.649 233 1HB ASP 34 2HB ASP 34 3.799 2.092 10.546 234 2HB ASP 34 1HB ASP 34 2.373 1.750 11.521 235 H ASP 35 H ASP 35 0.040 1.459 10.743 236 HA ASP 35 HA ASP 35 -0.728 -1.178 11.189 237 1HB ASP 35 2HB ASP 35 -1.689 0.680 12.418 238 2HB ASP 35 1HB ASP 35 -2.403 1.331 10.949 239 H ALA 36 H ALA 36 -1.547 1.011 8.512 240 HA ALA 36 HA ALA 36 -3.252 -0.796 7.154 241 1HB ALA 36 1HB ALA 36 -3.032 0.682 5.252 242 2HB ALA 36 2HB ALA 36 -1.636 1.466 5.992 243 3HB ALA 36 3HB ALA 36 -3.229 1.622 6.731 244 H VAL 37 H VAL 37 0.153 0.076 6.521 245 HA VAL 37 HA VAL 37 0.480 -1.710 4.368 246 HB VAL 37 HB VAL 37 2.582 -0.530 6.197 247 1HG1 VAL 37 1HG1 VAL 37 2.899 -1.798 3.480 248 2HG1 VAL 37 2HG1 VAL 37 3.425 -2.501 5.011 249 3HG1 VAL 37 3HG1 VAL 37 4.173 -1.017 4.416 250 1HG2 VAL 37 1HG2 VAL 37 1.584 0.357 3.490 251 2HG2 VAL 37 2HG2 VAL 37 2.897 1.103 4.402 252 3HG2 VAL 37 3HG2 VAL 37 1.249 1.153 5.028 253 H ASN 38 H ASN 38 0.956 -2.107 7.837 254 HA ASN 38 HA ASN 38 2.226 -4.625 7.739 255 1HB ASN 38 2HB ASN 38 1.106 -2.899 9.771 256 2HB ASN 38 1HB ASN 38 0.688 -4.582 10.082 257 1HD2 ASN 38 1HD2 ASN 38 2.601 -2.586 11.305 258 2HD2 ASN 38 2HD2 ASN 38 4.097 -3.452 11.398 259 H PHE 39 H PHE 39 -1.194 -3.722 8.047 260 HA PHE 39 HA PHE 39 -2.235 -6.329 8.095 261 1HB PHE 39 2HB PHE 39 -3.561 -4.332 8.670 262 2HB PHE 39 1HB PHE 39 -3.489 -3.797 6.995 263 HD1 PHE 39 HD1 PHE 39 -4.703 -6.560 9.155 264 HD2 PHE 39 HD2 PHE 39 -5.100 -4.472 5.468 265 HE1 PHE 39 HE1 PHE 39 -6.755 -7.823 8.663 266 HE2 PHE 39 HE2 PHE 39 -7.156 -5.728 4.974 267 HZ PHE 39 HZ PHE 39 -7.984 -7.408 6.573 268 H LEU 40 H LEU 40 -1.477 -4.143 5.425 269 HA LEU 40 HA LEU 40 -2.418 -5.787 3.338 270 1HB LEU 40 2HB LEU 40 -0.245 -3.693 3.341 271 2HB LEU 40 1HB LEU 40 -0.930 -4.414 1.896 272 HG LEU 40 HG LEU 40 -2.503 -2.804 3.910 273 1HD1 LEU 40 1HD1 LEU 40 -1.452 -2.007 1.200 274 2HD1 LEU 40 2HD1 LEU 40 -0.847 -1.423 2.752 275 3HD1 LEU 40 3HD1 LEU 40 -2.490 -1.034 2.242 276 1HD2 LEU 40 1HD2 LEU 40 -3.830 -4.454 2.686 277 2HD2 LEU 40 2HD2 LEU 40 -3.216 -3.816 1.159 278 3HD2 LEU 40 3HD2 LEU 40 -4.234 -2.809 2.191 279 H LYS 41 H LYS 41 0.735 -5.566 4.930 280 HA LYS 41 HA LYS 41 2.024 -7.422 3.192 281 1HB LYS 41 2HB LYS 41 3.175 -5.697 4.632 282 2HB LYS 41 1HB LYS 41 2.809 -6.704 6.023 283 1HG LYS 41 2HG LYS 41 4.131 -8.170 3.889 284 2HG LYS 41 1HG LYS 41 5.086 -6.814 4.487 285 1HD LYS 41 2HD LYS 41 3.803 -8.674 6.442 286 2HD LYS 41 1HD LYS 41 5.265 -9.187 5.603 287 1HE LYS 41 2HE LYS 41 5.868 -8.202 7.717 288 2HE LYS 41 1HE LYS 41 6.401 -7.144 6.414 289 1HZ LYS 41 1HZ LYS 41 4.528 -5.713 6.824 290 2HZ LYS 41 2HZ LYS 41 5.379 -5.936 8.271 291 3HZ LYS 41 3HZ LYS 41 3.923 -6.767 8.007 292 H ARG 42 H ARG 42 0.263 -7.650 6.211 293 HA ARG 42 HA ARG 42 0.801 -10.314 6.890 294 1HB ARG 42 2HB ARG 42 -0.340 -8.675 8.362 295 2HB ARG 42 1HB ARG 42 -1.751 -8.743 7.320 296 1HG ARG 42 2HG ARG 42 -1.819 -11.234 7.839 297 2HG ARG 42 1HG ARG 42 -0.666 -10.871 9.125 298 1HD ARG 42 2HD ARG 42 -2.279 -9.162 9.977 299 2HD ARG 42 1HD ARG 42 -3.441 -9.744 8.790 300 HE ARG 42 HE ARG 42 -2.436 -11.249 11.114 301 1HH1 ARG 42 1HH1 ARG 42 -4.698 -10.945 8.447 302 2HH1 ARG 42 2HH1 ARG 42 -5.821 -12.098 9.113 303 1HH2 ARG 42 1HH2 ARG 42 -3.889 -12.775 11.967 304 2HH2 ARG 42 2HH2 ARG 42 -5.349 -13.161 11.108 305 H GLU 43 H GLU 43 -1.918 -8.953 5.035 306 HA GLU 43 HA GLU 43 -2.999 -11.519 4.407 307 1HB GLU 43 2HB GLU 43 -3.606 -8.887 3.053 308 2HB GLU 43 1HB GLU 43 -4.617 -10.325 3.085 309 1HG GLU 43 2HG GLU 43 -3.925 -8.580 5.438 310 2HG GLU 43 1HG GLU 43 -5.473 -8.642 4.597 311 H GLY 44 H GLY 44 -0.767 -9.330 2.842 312 1HA GLY 44 2HA GLY 44 0.912 -10.228 1.390 313 2HA GLY 44 1HA GLY 44 -0.241 -11.450 0.869 314 H TYR 45 H TYR 45 -0.729 -7.947 1.095 315 HA TYR 45 HA TYR 45 -1.578 -7.941 -1.688 316 1HB TYR 45 2HB TYR 45 -1.744 -5.898 0.518 317 2HB TYR 45 1HB TYR 45 -2.150 -5.511 -1.152 318 HD1 TYR 45 HD1 TYR 45 -3.323 -6.941 1.927 319 HD2 TYR 45 HD2 TYR 45 -3.993 -6.852 -2.278 320 HE1 TYR 45 HE1 TYR 45 -5.604 -7.795 2.274 321 HE2 TYR 45 HE2 TYR 45 -6.272 -7.709 -1.941 322 HH TYR 45 HH TYR 45 -7.750 -7.825 1.126 323 H ILE 46 H ILE 46 1.052 -6.735 0.294 324 HA ILE 46 HA ILE 46 2.402 -5.907 -2.160 325 HB ILE 46 HB ILE 46 3.403 -3.969 -0.727 326 1HG1 ILE 46 2HG1 ILE 46 1.493 -2.944 0.667 327 2HG1 ILE 46 1HG1 ILE 46 0.810 -4.565 0.689 328 1HG2 ILE 46 1HG2 ILE 46 0.650 -3.838 -1.936 329 2HG2 ILE 46 2HG2 ILE 46 2.183 -3.655 -2.788 330 3HG2 ILE 46 3HG2 ILE 46 1.685 -2.449 -1.601 331 1HD1 ILE 46 1HD1 ILE 46 2.827 -5.398 1.779 332 2HD1 ILE 46 2HD1 ILE 46 2.059 -4.112 2.712 333 3HD1 ILE 46 3HD1 ILE 46 3.507 -3.768 1.760 334 H ILE 47 H ILE 47 4.631 -6.043 -2.140 335 HA ILE 47 HA ILE 47 5.882 -7.187 0.266 336 HB ILE 47 HB ILE 47 7.251 -8.670 -1.211 337 1HG1 ILE 47 2HG1 ILE 47 5.179 -7.949 -3.298 338 2HG1 ILE 47 1HG1 ILE 47 6.860 -7.434 -3.323 339 1HG2 ILE 47 1HG2 ILE 47 5.374 -9.551 0.064 340 2HG2 ILE 47 2HG2 ILE 47 5.536 -10.388 -1.483 341 3HG2 ILE 47 3HG2 ILE 47 4.278 -9.167 -1.265 342 1HD1 ILE 47 1HD1 ILE 47 5.888 -10.278 -3.499 343 2HD1 ILE 47 2HD1 ILE 47 7.573 -9.755 -3.545 344 3HD1 ILE 47 3HD1 ILE 47 6.467 -9.291 -4.840 345 H GLY 48 H GLY 48 8.356 -7.140 0.012 346 1HA GLY 48 2HA GLY 48 10.326 -6.124 -0.684 347 2HA GLY 48 1HA GLY 48 9.407 -5.231 -1.887 348 H VAL 49 H VAL 49 7.878 -4.827 1.012 349 HA VAL 49 HA VAL 49 8.706 -2.116 1.282 350 HB VAL 49 HB VAL 49 7.148 -3.782 3.271 351 1HG1 VAL 49 1HG1 VAL 49 7.323 -0.794 2.899 352 2HG1 VAL 49 2HG1 VAL 49 8.049 -1.720 4.211 353 3HG1 VAL 49 3HG1 VAL 49 6.296 -1.633 4.062 354 1HG2 VAL 49 1HG2 VAL 49 6.058 -3.825 1.102 355 2HG2 VAL 49 2HG2 VAL 49 6.156 -2.067 0.995 356 3HG2 VAL 49 3HG2 VAL 49 5.141 -2.822 2.225 357 H HIS 50 H HIS 50 10.287 -1.267 2.515 358 HA HIS 50 HA HIS 50 12.013 -3.177 3.894 359 1HB HIS 50 2HB HIS 50 12.457 -0.405 2.807 360 2HB HIS 50 1HB HIS 50 13.612 -1.159 3.900 361 HD1 HIS 50 HD1 HIS 50 12.102 -1.634 0.464 362 HD2 HIS 50 HD2 HIS 50 15.313 -2.964 2.736 363 HE1 HIS 50 HE1 HIS 50 13.554 -2.928 -1.122 364 HE2 HIS 50 HE2 HIS 50 15.575 -3.590 0.235 365 H TYR 51 H TYR 51 11.891 -3.390 5.990 366 HA TYR 51 HA TYR 51 10.933 -1.120 7.601 367 1HB TYR 51 2HB TYR 51 10.984 -4.065 8.299 368 2HB TYR 51 1HB TYR 51 10.346 -2.778 9.313 369 HD1 TYR 51 HD1 TYR 51 8.271 -1.557 8.578 370 HD2 TYR 51 HD2 TYR 51 9.677 -5.053 6.599 371 HE1 TYR 51 HE1 TYR 51 6.046 -1.884 7.577 372 HE2 TYR 51 HE2 TYR 51 7.461 -5.384 5.594 373 HH TYR 51 HH TYR 51 5.030 -3.003 5.676 374 H SER 52 H SER 52 12.127 -0.409 9.317 375 HA SER 52 HA SER 52 14.404 -1.980 10.237 376 1HB SER 52 2HB SER 52 15.412 -0.474 8.562 377 2HB SER 52 1HB SER 52 14.672 0.914 9.358 378 HG SER 52 HG SER 52 16.743 -0.777 10.304 379 H ASP 53 H ASP 53 14.012 1.408 11.056 380 HA ASP 53 HA ASP 53 12.686 0.878 13.503 381 1HB ASP 53 2HB ASP 53 13.602 3.121 13.097 382 2HB ASP 53 1HB ASP 53 12.559 3.322 11.693 383 H ASP 54 H ASP 54 10.924 -0.299 13.516 384 HA ASP 54 HA ASP 54 9.290 -1.047 11.466 385 1HB ASP 54 2HB ASP 54 8.863 -1.026 14.423 386 2HB ASP 54 1HB ASP 54 7.574 -1.548 13.342 387 H ARG 55 H ARG 55 9.321 1.207 10.687 388 HA ARG 55 HA ARG 55 6.517 1.944 10.508 389 1HB ARG 55 2HB ARG 55 8.776 3.862 11.126 390 2HB ARG 55 1HB ARG 55 7.307 4.402 10.320 391 1HG ARG 55 2HG ARG 55 6.009 4.113 12.191 392 2HG ARG 55 1HG ARG 55 7.079 2.889 12.874 393 1HD ARG 55 2HD ARG 55 7.173 4.986 14.126 394 2HD ARG 55 1HD ARG 55 8.726 4.581 13.400 395 HE ARG 55 HE ARG 55 7.213 6.305 11.715 396 1HH1 ARG 55 1HH1 ARG 55 9.180 6.245 14.614 397 2HH1 ARG 55 2HH1 ARG 55 9.692 7.898 14.450 398 1HH2 ARG 55 1HH2 ARG 55 7.870 8.471 11.502 399 2HH2 ARG 55 2HH2 ARG 55 8.960 9.167 12.672 400 HA PRO 56 HA PRO 56 8.012 0.648 6.633 401 1HB PRO 56 2HB PRO 56 5.598 1.894 5.462 402 2HB PRO 56 1HB PRO 56 6.120 0.205 5.450 403 1HG PRO 56 2HG PRO 56 4.079 1.024 6.980 404 2HG PRO 56 1HG PRO 56 5.207 -0.228 7.527 405 1HD PRO 56 2HD PRO 56 5.081 2.666 8.279 406 2HD PRO 56 1HD PRO 56 5.419 1.250 9.296 407 H HIS 57 H HIS 57 9.635 1.601 5.639 408 HA HIS 57 HA HIS 57 9.246 4.283 4.499 409 1HB HIS 57 2HB HIS 57 11.760 2.746 5.160 410 2HB HIS 57 1HB HIS 57 11.771 4.199 4.168 411 HD1 HIS 57 HD1 HIS 57 11.201 6.454 5.362 412 HD2 HIS 57 HD2 HIS 57 11.498 3.157 7.883 413 HE1 HIS 57 HE1 HIS 57 11.359 7.387 7.693 414 HE2 HIS 57 HE2 HIS 57 11.318 5.373 9.206 415 H LEU 58 H LEU 58 8.614 4.251 2.473 416 HA LEU 58 HA LEU 58 9.106 1.903 0.829 417 1HB LEU 58 2HB LEU 58 7.534 4.423 0.283 418 2HB LEU 58 1HB LEU 58 7.635 3.054 -0.806 419 HG LEU 58 HG LEU 58 6.408 3.028 1.954 420 1HD1 LEU 58 1HD1 LEU 58 4.298 2.741 0.780 421 2HD1 LEU 58 2HD1 LEU 58 5.129 2.839 -0.772 422 3HD1 LEU 58 3HD1 LEU 58 5.079 4.245 0.293 423 1HD2 LEU 58 1HD2 LEU 58 6.605 0.858 -0.133 424 2HD2 LEU 58 2HD2 LEU 58 5.686 0.757 1.370 425 3HD2 LEU 58 3HD2 LEU 58 7.445 0.895 1.417 426 H TYR 59 H TYR 59 10.235 1.901 -1.088 427 HA TYR 59 HA TYR 59 11.726 4.330 -1.787 428 1HB TYR 59 2HB TYR 59 12.837 1.510 -1.730 429 2HB TYR 59 1HB TYR 59 13.691 2.926 -2.332 430 HD1 TYR 59 HD1 TYR 59 13.812 4.926 -0.563 431 HD2 TYR 59 HD2 TYR 59 13.291 0.822 0.426 432 HE1 TYR 59 HE1 TYR 59 14.677 5.367 1.696 433 HE2 TYR 59 HE2 TYR 59 14.149 1.254 2.691 434 HH TYR 59 HH TYR 59 15.721 3.012 3.749 435 H LYS 60 H LYS 60 12.709 3.965 -4.099 436 HA LYS 60 HA LYS 60 10.447 3.368 -5.769 437 1HB LYS 60 2HB LYS 60 13.187 4.475 -6.262 438 2HB LYS 60 1HB LYS 60 12.187 3.957 -7.612 439 1HG LYS 60 2HG LYS 60 10.408 5.490 -6.798 440 2HG LYS 60 1HG LYS 60 11.550 6.084 -5.589 441 1HD LYS 60 2HD LYS 60 12.988 6.964 -7.241 442 2HD LYS 60 1HD LYS 60 12.160 6.091 -8.531 443 1HE LYS 60 2HE LYS 60 10.976 8.316 -6.874 444 2HE LYS 60 1HE LYS 60 11.575 8.472 -8.524 445 1HZ LYS 60 1HZ LYS 60 9.311 6.751 -7.657 446 2HZ LYS 60 2HZ LYS 60 9.899 6.877 -9.245 447 3HZ LYS 60 3HZ LYS 60 9.181 8.220 -8.498 448 H LEU 61 H LEU 61 13.179 1.625 -4.684 449 HA LEU 61 HA LEU 61 12.587 -0.471 -6.663 450 1HB LEU 61 2HB LEU 61 15.263 0.171 -5.407 451 2HB LEU 61 1HB LEU 61 14.943 -1.235 -6.402 452 HG LEU 61 HG LEU 61 14.263 0.503 -8.213 453 1HD1 LEU 61 1HD1 LEU 61 15.524 2.602 -8.071 454 2HD1 LEU 61 2HD1 LEU 61 15.977 2.206 -6.413 455 3HD1 LEU 61 3HD1 LEU 61 14.284 2.478 -6.825 456 1HD2 LEU 61 1HD2 LEU 61 16.167 -1.002 -8.359 457 2HD2 LEU 61 2HD2 LEU 61 17.136 0.113 -7.397 458 3HD2 LEU 61 3HD2 LEU 61 16.566 0.592 -8.997 459 H GLY 62 H GLY 62 11.808 -2.282 -5.795 460 1HA GLY 62 2HA GLY 62 12.391 -4.025 -4.055 461 2HA GLY 62 1HA GLY 62 12.258 -2.705 -2.903 462 HA PRO 63 HA PRO 63 7.933 -3.238 -2.333 463 1HB PRO 63 2HB PRO 63 7.258 -0.597 -3.496 464 2HB PRO 63 1HB PRO 63 6.936 -1.228 -1.877 465 1HG PRO 63 2HG PRO 63 8.819 0.616 -2.274 466 2HG PRO 63 1HG PRO 63 9.063 -0.701 -1.111 467 1HD PRO 63 2HD PRO 63 10.135 -0.399 -3.890 468 2HD PRO 63 1HD PRO 63 10.953 -0.988 -2.428 469 H GLU 64 H GLU 64 6.767 -4.585 -3.487 470 HA GLU 64 HA GLU 64 5.924 -3.779 -6.187 471 1HB GLU 64 2HB GLU 64 6.830 -6.507 -5.266 472 2HB GLU 64 1HB GLU 64 5.917 -6.250 -6.746 473 1HG GLU 64 2HG GLU 64 7.707 -4.786 -7.567 474 2HG GLU 64 1HG GLU 64 8.626 -5.118 -6.101 475 H LEU 65 H LEU 65 3.845 -4.253 -6.744 476 HA LEU 65 HA LEU 65 2.065 -5.000 -4.558 477 1HB LEU 65 2HB LEU 65 1.916 -3.212 -6.767 478 2HB LEU 65 1HB LEU 65 0.679 -4.433 -6.994 479 HG LEU 65 HG LEU 65 0.948 -2.923 -4.403 480 1HD1 LEU 65 1HD1 LEU 65 0.676 -1.287 -6.199 481 2HD1 LEU 65 2HD1 LEU 65 -0.780 -1.406 -5.210 482 3HD1 LEU 65 3HD1 LEU 65 -0.726 -2.178 -6.795 483 1HD2 LEU 65 1HD2 LEU 65 -0.381 -4.986 -4.393 484 2HD2 LEU 65 2HD2 LEU 65 -1.359 -4.351 -5.716 485 3HD2 LEU 65 3HD2 LEU 65 -1.387 -3.559 -4.141 486 H THR 66 H THR 66 1.024 -6.930 -4.488 487 HA THR 66 HA THR 66 1.955 -8.960 -6.309 488 HB THR 66 HB THR 66 0.713 -10.529 -4.867 489 HG1 THR 66 HG1 THR 66 -0.209 -9.493 -2.888 490 1HG2 THR 66 1HG2 THR 66 2.333 -8.509 -3.311 491 2HG2 THR 66 2HG2 THR 66 2.987 -9.857 -4.240 492 3HG2 THR 66 3HG2 THR 66 1.997 -10.168 -2.813 493 H GLU 67 H GLU 67 0.418 -10.560 -7.237 494 HA GLU 67 HA GLU 67 -1.465 -9.438 -8.953 495 1HB GLU 67 2HB GLU 67 -0.517 -11.650 -9.331 496 2HB GLU 67 1HB GLU 67 -1.299 -12.264 -7.883 497 1HG GLU 67 2HG GLU 67 -3.486 -11.879 -8.909 498 2HG GLU 67 1HG GLU 67 -2.691 -11.298 -10.372 499 H LYS 68 H LYS 68 -1.820 -10.841 -5.770 500 HA LYS 68 HA LYS 68 -4.551 -10.885 -5.413 501 1HB LYS 68 2HB LYS 68 -2.773 -11.663 -3.819 502 2HB LYS 68 1HB LYS 68 -2.512 -9.984 -3.371 503 1HG LYS 68 2HG LYS 68 -4.883 -9.877 -2.635 504 2HG LYS 68 1HG LYS 68 -5.008 -11.611 -2.944 505 1HD LYS 68 2HD LYS 68 -2.995 -11.861 -1.403 506 2HD LYS 68 1HD LYS 68 -3.291 -10.189 -0.929 507 1HE LYS 68 2HE LYS 68 -4.359 -11.620 0.662 508 2HE LYS 68 1HE LYS 68 -5.612 -10.846 -0.311 509 1HZ LYS 68 1HZ LYS 68 -5.985 -13.246 0.054 510 2HZ LYS 68 2HZ LYS 68 -4.562 -13.579 -0.803 511 3HZ LYS 68 3HZ LYS 68 -5.869 -12.836 -1.588 512 H GLY 69 H GLY 69 -2.341 -8.185 -4.691 513 1HA GLY 69 2HA GLY 69 -4.502 -6.421 -4.006 514 2HA GLY 69 1HA GLY 69 -2.802 -5.998 -4.118 515 H GLU 70 H GLU 70 -2.473 -6.901 -6.849 516 HA GLU 70 HA GLU 70 -3.096 -4.479 -8.135 517 1HB GLU 70 2HB GLU 70 -1.230 -6.109 -8.690 518 2HB GLU 70 1HB GLU 70 -2.439 -7.069 -9.534 519 1HG GLU 70 2HG GLU 70 -2.873 -5.266 -11.061 520 2HG GLU 70 1HG GLU 70 -1.796 -4.198 -10.163 521 H ASN 71 H ASN 71 -4.641 -7.670 -8.284 522 HA ASN 71 HA ASN 71 -6.637 -6.841 -10.169 523 1HB ASN 71 2HB ASN 71 -6.334 -9.257 -8.401 524 2HB ASN 71 1HB ASN 71 -7.811 -8.982 -9.319 525 1HD2 ASN 71 1HD2 ASN 71 -4.432 -9.740 -9.476 526 2HD2 ASN 71 2HD2 ASN 71 -4.416 -10.236 -11.137 527 H TYR 72 H TYR 72 -6.299 -6.827 -6.725 528 HA TYR 72 HA TYR 72 -8.996 -6.474 -5.982 529 1HB TYR 72 2HB TYR 72 -6.879 -7.033 -4.584 530 2HB TYR 72 1HB TYR 72 -6.650 -5.294 -4.511 531 HD1 TYR 72 HD1 TYR 72 -9.732 -7.393 -4.201 532 HD2 TYR 72 HD2 TYR 72 -7.082 -4.622 -2.359 533 HE1 TYR 72 HE1 TYR 72 -11.181 -7.337 -2.212 534 HE2 TYR 72 HE2 TYR 72 -8.521 -4.558 -0.368 535 HH TYR 72 HH TYR 72 -10.686 -5.042 0.360 536 H LEU 73 H LEU 73 -6.596 -4.356 -7.275 537 HA LEU 73 HA LEU 73 -7.699 -1.880 -6.461 538 1HB LEU 73 2HB LEU 73 -5.838 -2.564 -8.723 539 2HB LEU 73 1HB LEU 73 -6.251 -0.928 -8.247 540 HG LEU 73 HG LEU 73 -4.819 -2.947 -6.514 541 1HD1 LEU 73 1HD1 LEU 73 -3.435 -2.135 -8.349 542 2HD1 LEU 73 2HD1 LEU 73 -2.886 -1.479 -6.806 543 3HD1 LEU 73 3HD1 LEU 73 -3.818 -0.470 -7.913 544 1HD2 LEU 73 1HD2 LEU 73 -6.192 -1.441 -5.193 545 2HD2 LEU 73 2HD2 LEU 73 -5.505 -0.050 -6.034 546 3HD2 LEU 73 3HD2 LEU 73 -4.484 -1.047 -4.998 547 H LYS 74 H LYS 74 -8.639 -4.094 -8.878 548 HA LYS 74 HA LYS 74 -9.454 -2.628 -11.028 549 1HB LYS 74 2HB LYS 74 -9.611 -5.091 -10.808 550 2HB LYS 74 1HB LYS 74 -11.020 -4.888 -9.774 551 1HG LYS 74 2HG LYS 74 -12.178 -3.766 -11.653 552 2HG LYS 74 1HG LYS 74 -10.783 -4.116 -12.676 553 1HD LYS 74 2HD LYS 74 -11.112 -6.511 -12.297 554 2HD LYS 74 1HD LYS 74 -12.501 -6.159 -11.267 555 1HE LYS 74 2HE LYS 74 -13.313 -6.770 -13.435 556 2HE LYS 74 1HE LYS 74 -13.578 -5.041 -13.217 557 1HZ LYS 74 1HZ LYS 74 -11.548 -4.636 -14.518 558 2HZ LYS 74 2HZ LYS 74 -12.718 -5.480 -15.407 559 3HZ LYS 74 3HZ LYS 74 -11.384 -6.306 -14.769 560 H GLU 75 H GLU 75 -11.397 -3.138 -8.067 561 HA GLU 75 HA GLU 75 -13.459 -1.357 -9.036 562 1HB GLU 75 2HB GLU 75 -13.087 -2.771 -6.396 563 2HB GLU 75 1HB GLU 75 -14.428 -1.688 -6.721 564 1HG GLU 75 2HG GLU 75 -15.250 -3.857 -7.049 565 2HG GLU 75 1HG GLU 75 -15.015 -3.184 -8.660 566 H ASN 76 H ASN 76 -10.539 -1.044 -7.318 567 HA ASN 76 HA ASN 76 -11.314 1.207 -5.696 568 1HB ASN 76 2HB ASN 76 -9.525 -0.458 -5.040 569 2HB ASN 76 1HB ASN 76 -8.511 0.234 -6.302 570 1HD2 ASN 76 1HD2 ASN 76 -6.956 0.927 -4.863 571 2HD2 ASN 76 2HD2 ASN 76 -7.208 2.250 -3.781 572 H GLY 77 H GLY 77 -10.521 0.787 -8.922 573 1HA GLY 77 2HA GLY 77 -8.986 3.053 -9.522 574 2HA GLY 77 1HA GLY 77 -10.073 2.243 -10.634 575 H THR 78 H THR 78 -12.298 2.875 -8.576 576 HA THR 78 HA THR 78 -12.777 5.576 -9.618 577 HB THR 78 HB THR 78 -14.445 3.796 -10.163 578 HG1 THR 78 HG1 THR 78 -14.954 6.134 -9.919 579 1HG2 THR 78 1HG2 THR 78 -16.015 3.082 -8.412 580 2HG2 THR 78 2HG2 THR 78 -15.039 3.913 -7.200 581 3HG2 THR 78 3HG2 THR 78 -14.372 2.534 -8.076 582 H TRP 79 H TRP 79 -11.782 4.048 -6.825 583 HA TRP 79 HA TRP 79 -12.938 6.118 -5.083 584 1HB TRP 79 2HB TRP 79 -13.247 3.681 -4.455 585 2HB TRP 79 1HB TRP 79 -11.506 3.589 -4.227 586 HD1 TRP 79 HD1 TRP 79 -13.093 6.796 -3.012 587 HE1 TRP 79 HE1 TRP 79 -13.140 6.808 -0.436 588 HE3 TRP 79 HE3 TRP 79 -11.811 1.919 -2.156 589 HZ2 TRP 79 HZ2 TRP 79 -12.715 4.989 1.667 590 HZ3 TRP 79 HZ3 TRP 79 -11.661 1.137 0.172 591 HH2 TRP 79 HH2 TRP 79 -12.103 2.640 2.043 592 H SER 80 H SER 80 -11.544 7.335 -3.740 593 HA SER 80 HA SER 80 -9.807 8.762 -3.505 594 1HB SER 80 2HB SER 80 -7.568 7.671 -3.152 595 2HB SER 80 1HB SER 80 -8.870 6.990 -2.187 596 HG SER 80 HG SER 80 -8.830 5.591 -4.399 597 H LYS 81 H LYS 81 -10.758 8.396 -6.169 598 HA LYS 81 HA LYS 81 -8.547 9.591 -7.600 599 1HB LYS 81 2HB LYS 81 -8.456 7.047 -7.950 600 2HB LYS 81 1HB LYS 81 -9.965 7.222 -8.832 601 1HG LYS 81 2HG LYS 81 -8.874 8.708 -10.428 602 2HG LYS 81 1HG LYS 81 -7.359 8.557 -9.534 603 1HD LYS 81 2HD LYS 81 -7.353 6.139 -9.976 604 2HD LYS 81 1HD LYS 81 -8.847 6.312 -10.900 605 1HE LYS 81 2HE LYS 81 -7.023 6.237 -12.445 606 2HE LYS 81 1HE LYS 81 -7.643 7.887 -12.417 607 1HZ LYS 81 1HZ LYS 81 -5.826 8.433 -10.841 608 2HZ LYS 81 2HZ LYS 81 -5.266 7.950 -12.368 609 3HZ LYS 81 3HZ LYS 81 -5.199 6.873 -11.062 610 H ALA 82 H ALA 82 -9.392 10.382 -9.789 611 HA ALA 82 HA ALA 82 -11.894 11.717 -9.350 612 1HB ALA 82 1HB ALA 82 -10.015 12.850 -10.442 613 2HB ALA 82 2HB ALA 82 -11.441 12.819 -11.481 614 3HB ALA 82 3HB ALA 82 -10.105 11.706 -11.782 Start of MODEL 15 1 H LYS 5 H LYS 5 -12.042 0.710 2.838 2 HA LYS 5 HA LYS 5 -11.052 0.245 0.116 3 1HB LYS 5 2HB LYS 5 -12.754 2.560 1.015 4 2HB LYS 5 1HB LYS 5 -12.610 1.867 -0.599 5 1HG LYS 5 2HG LYS 5 -13.710 -0.176 0.201 6 2HG LYS 5 1HG LYS 5 -13.894 0.562 1.790 7 1HD LYS 5 2HD LYS 5 -15.202 2.388 0.669 8 2HD LYS 5 1HD LYS 5 -15.174 1.403 -0.798 9 1HE LYS 5 2HE LYS 5 -16.412 0.738 1.862 10 2HE LYS 5 1HE LYS 5 -17.220 0.917 0.307 11 1HZ LYS 5 1HZ LYS 5 -17.022 -1.397 0.821 12 2HZ LYS 5 2HZ LYS 5 -15.355 -1.261 1.094 13 3HZ LYS 5 3HZ LYS 5 -15.976 -1.055 -0.468 14 H LEU 6 H LEU 6 -10.282 1.768 2.999 15 HA LEU 6 HA LEU 6 -8.781 3.981 2.054 16 1HB LEU 6 2HB LEU 6 -9.563 3.264 4.478 17 2HB LEU 6 1HB LEU 6 -8.015 2.446 4.514 18 HG LEU 6 HG LEU 6 -8.050 4.714 5.584 19 1HD1 LEU 6 1HD1 LEU 6 -5.929 5.453 4.631 20 2HD1 LEU 6 2HD1 LEU 6 -6.173 4.384 3.249 21 3HD1 LEU 6 3HD1 LEU 6 -5.952 3.706 4.862 22 1HD2 LEU 6 1HD2 LEU 6 -8.376 5.615 2.730 23 2HD2 LEU 6 2HD2 LEU 6 -7.975 6.661 4.089 24 3HD2 LEU 6 3HD2 LEU 6 -9.531 5.836 4.042 25 H ARG 7 H ARG 7 -8.209 0.558 2.327 26 HA ARG 7 HA ARG 7 -5.439 0.408 2.029 27 1HB ARG 7 2HB ARG 7 -7.472 -1.445 0.763 28 2HB ARG 7 1HB ARG 7 -5.795 -1.817 1.113 29 1HG ARG 7 2HG ARG 7 -6.261 -1.599 3.518 30 2HG ARG 7 1HG ARG 7 -7.959 -1.306 3.135 31 1HD ARG 7 2HD ARG 7 -7.977 -3.518 1.947 32 2HD ARG 7 1HD ARG 7 -6.367 -3.811 2.602 33 HE ARG 7 HE ARG 7 -7.961 -3.168 4.760 34 1HH1 ARG 7 1HH1 ARG 7 -7.813 -5.690 2.335 35 2HH1 ARG 7 2HH1 ARG 7 -8.664 -6.849 3.301 36 1HH2 ARG 7 1HH2 ARG 7 -9.133 -4.687 6.025 37 2HH2 ARG 7 2HH2 ARG 7 -9.409 -6.287 5.391 38 H TYR 8 H TYR 8 -8.000 0.883 -0.313 39 HA TYR 8 HA TYR 8 -6.536 0.672 -2.682 40 1HB TYR 8 2HB TYR 8 -8.905 0.682 -2.810 41 2HB TYR 8 1HB TYR 8 -9.019 2.202 -1.934 42 HD1 TYR 8 HD1 TYR 8 -9.506 4.079 -3.141 43 HD2 TYR 8 HD2 TYR 8 -7.505 0.881 -5.094 44 HE1 TYR 8 HE1 TYR 8 -9.622 5.309 -5.257 45 HE2 TYR 8 HE2 TYR 8 -7.617 2.103 -7.221 46 HH TYR 8 HH TYR 8 -8.840 3.843 -8.285 47 H ALA 9 H ALA 9 -7.183 3.464 -0.601 48 HA ALA 9 HA ALA 9 -6.013 5.449 -2.181 49 1HB ALA 9 1HB ALA 9 -5.826 6.749 -0.131 50 2HB ALA 9 2HB ALA 9 -6.110 5.298 0.830 51 3HB ALA 9 3HB ALA 9 -7.385 5.929 -0.213 52 H ILE 10 H ILE 10 -4.606 3.291 0.229 53 HA ILE 10 HA ILE 10 -1.985 4.372 0.093 54 HB ILE 10 HB ILE 10 -2.798 1.577 0.903 55 1HG1 ILE 10 2HG1 ILE 10 -2.453 4.066 2.595 56 2HG1 ILE 10 1HG1 ILE 10 -3.994 3.325 2.176 57 1HG2 ILE 10 1HG2 ILE 10 -0.707 1.622 2.212 58 2HG2 ILE 10 2HG2 ILE 10 -0.314 3.185 1.496 59 3HG2 ILE 10 3HG2 ILE 10 -0.421 1.752 0.476 60 1HD1 ILE 10 1HD1 ILE 10 -1.815 2.063 3.819 61 2HD1 ILE 10 2HD1 ILE 10 -3.356 1.316 3.401 62 3HD1 ILE 10 3HD1 ILE 10 -3.322 2.747 4.430 63 H LEU 11 H LEU 11 -3.501 1.533 -1.432 64 HA LEU 11 HA LEU 11 -1.210 0.633 -2.770 65 1HB LEU 11 2HB LEU 11 -4.106 0.107 -2.954 66 2HB LEU 11 1HB LEU 11 -3.173 -0.263 -4.391 67 HG LEU 11 HG LEU 11 -1.689 -1.707 -2.989 68 1HD1 LEU 11 1HD1 LEU 11 -3.781 -1.213 -0.883 69 2HD1 LEU 11 2HD1 LEU 11 -2.094 -0.698 -0.822 70 3HD1 LEU 11 3HD1 LEU 11 -2.495 -2.417 -0.796 71 1HD2 LEU 11 1HD2 LEU 11 -3.483 -2.674 -4.316 72 2HD2 LEU 11 2HD2 LEU 11 -4.619 -2.414 -2.990 73 3HD2 LEU 11 3HD2 LEU 11 -3.283 -3.549 -2.798 74 H LYS 12 H LYS 12 -3.663 2.999 -3.788 75 HA LYS 12 HA LYS 12 -2.710 3.063 -6.472 76 1HB LYS 12 2HB LYS 12 -4.110 5.015 -6.803 77 2HB LYS 12 1HB LYS 12 -4.992 3.766 -5.944 78 1HG LYS 12 2HG LYS 12 -5.645 5.600 -4.773 79 2HG LYS 12 1HG LYS 12 -4.224 5.140 -3.832 80 1HD LYS 12 2HD LYS 12 -2.878 6.768 -5.045 81 2HD LYS 12 1HD LYS 12 -4.272 7.201 -6.035 82 1HE LYS 12 2HE LYS 12 -5.444 8.010 -4.062 83 2HE LYS 12 1HE LYS 12 -4.087 7.527 -3.042 84 1HZ LYS 12 1HZ LYS 12 -3.950 9.864 -3.483 85 2HZ LYS 12 2HZ LYS 12 -4.048 9.608 -5.160 86 3HZ LYS 12 3HZ LYS 12 -2.688 9.084 -4.302 87 H GLU 13 H GLU 13 -1.691 4.616 -3.550 88 HA GLU 13 HA GLU 13 -0.061 6.594 -4.842 89 1HB GLU 13 2HB GLU 13 0.055 5.449 -2.046 90 2HB GLU 13 1HB GLU 13 1.031 6.796 -2.606 91 1HG GLU 13 2HG GLU 13 -1.972 6.775 -2.543 92 2HG GLU 13 1HG GLU 13 -0.945 7.469 -1.290 93 H ILE 14 H ILE 14 0.400 3.345 -3.580 94 HA ILE 14 HA ILE 14 3.193 3.205 -4.076 95 HB ILE 14 HB ILE 14 1.184 0.954 -3.860 96 1HG1 ILE 14 2HG1 ILE 14 2.998 2.153 -1.753 97 2HG1 ILE 14 1HG1 ILE 14 1.267 2.445 -1.877 98 1HG2 ILE 14 1HG2 ILE 14 3.235 0.211 -4.922 99 2HG2 ILE 14 2HG2 ILE 14 3.129 -0.440 -3.285 100 3HG2 ILE 14 3HG2 ILE 14 4.192 0.927 -3.622 101 1HD1 ILE 14 1HD1 ILE 14 1.762 0.805 -0.162 102 2HD1 ILE 14 2HD1 ILE 14 2.578 -0.211 -1.351 103 3HD1 ILE 14 3HD1 ILE 14 0.843 0.075 -1.479 104 H PHE 15 H PHE 15 0.336 2.224 -5.917 105 HA PHE 15 HA PHE 15 1.796 0.991 -8.025 106 1HB PHE 15 2HB PHE 15 -0.499 0.353 -7.580 107 2HB PHE 15 1HB PHE 15 -1.054 1.994 -7.888 108 HD1 PHE 15 HD1 PHE 15 -1.515 2.743 -10.075 109 HD2 PHE 15 HD2 PHE 15 0.385 -1.016 -9.455 110 HE1 PHE 15 HE1 PHE 15 -1.882 2.170 -12.441 111 HE2 PHE 15 HE2 PHE 15 0.023 -1.593 -11.821 112 HZ PHE 15 HZ PHE 15 -1.112 0.000 -13.312 113 H GLU 16 H GLU 16 0.170 4.154 -7.765 114 HA GLU 16 HA GLU 16 0.953 4.839 -10.462 115 1HB GLU 16 2HB GLU 16 -1.254 5.463 -9.550 116 2HB GLU 16 1HB GLU 16 -0.464 6.471 -8.349 117 1HG GLU 16 2HG GLU 16 -1.373 7.776 -10.183 118 2HG GLU 16 1HG GLU 16 0.381 7.929 -10.082 119 H GLY 17 H GLY 17 1.797 5.823 -7.167 120 1HA GLY 17 2HA GLY 17 3.675 7.823 -8.045 121 2HA GLY 17 1HA GLY 17 3.459 7.239 -6.399 122 H ASN 18 H ASN 18 3.744 4.444 -7.297 123 HA ASN 18 HA ASN 18 5.308 2.825 -7.525 124 1HB ASN 18 2HB ASN 18 5.649 4.000 -9.738 125 2HB ASN 18 1HB ASN 18 6.987 4.864 -8.992 126 1HD2 ASN 18 1HD2 ASN 18 6.228 1.524 -8.265 127 2HD2 ASN 18 2HD2 ASN 18 7.630 0.851 -9.013 128 H THR 19 H THR 19 5.321 4.750 -5.327 129 HA THR 19 HA THR 19 6.411 5.284 -3.448 130 HB THR 19 HB THR 19 8.233 3.674 -2.676 131 HG1 THR 19 HG1 THR 19 8.312 2.927 -5.135 132 1HG2 THR 19 1HG2 THR 19 6.599 1.926 -2.185 133 2HG2 THR 19 2HG2 THR 19 5.519 2.589 -3.408 134 3HG2 THR 19 3HG2 THR 19 5.906 3.532 -1.970 135 HA PRO 20 HA PRO 20 7.886 5.257 -1.718 136 1HB PRO 20 2HB PRO 20 9.017 7.142 -0.198 137 2HB PRO 20 1HB PRO 20 9.963 5.788 -0.826 138 1HG PRO 20 2HG PRO 20 9.812 8.609 -1.797 139 2HG PRO 20 1HG PRO 20 11.223 7.547 -1.658 140 1HD PRO 20 2HD PRO 20 9.828 8.020 -3.999 141 2HD PRO 20 1HD PRO 20 10.851 6.603 -3.700 142 H LEU 21 H LEU 21 6.612 6.443 -0.027 143 HA LEU 21 HA LEU 21 5.518 9.019 -0.801 144 1HB LEU 21 2HB LEU 21 3.193 8.280 -0.529 145 2HB LEU 21 1HB LEU 21 3.973 7.485 -1.884 146 HG LEU 21 HG LEU 21 4.145 5.950 0.604 147 1HD1 LEU 21 1HD1 LEU 21 1.810 5.264 0.638 148 2HD1 LEU 21 2HD1 LEU 21 1.433 6.438 -0.622 149 3HD1 LEU 21 3HD1 LEU 21 1.955 6.991 0.969 150 1HD2 LEU 21 1HD2 LEU 21 4.770 5.017 -1.533 151 2HD2 LEU 21 2HD2 LEU 21 3.175 5.374 -2.194 152 3HD2 LEU 21 3HD2 LEU 21 3.351 4.168 -0.919 153 H SER 22 H SER 22 5.044 10.254 0.951 154 HA SER 22 HA SER 22 5.695 9.136 3.544 155 1HB SER 22 2HB SER 22 4.852 11.965 2.850 156 2HB SER 22 1HB SER 22 5.630 11.427 4.338 157 HG SER 22 HG SER 22 6.705 11.809 1.782 158 H GLU 23 H GLU 23 4.285 9.687 5.419 159 HA GLU 23 HA GLU 23 1.737 8.606 5.236 160 1HB GLU 23 2HB GLU 23 2.440 10.700 7.286 161 2HB GLU 23 1HB GLU 23 1.386 9.315 7.473 162 1HG GLU 23 2HG GLU 23 3.267 8.720 8.674 163 2HG GLU 23 1HG GLU 23 3.506 7.905 7.131 164 H ASN 24 H ASN 24 2.765 11.968 5.094 165 HA ASN 24 HA ASN 24 0.159 13.088 5.072 166 1HB ASN 24 2HB ASN 24 2.270 14.288 5.721 167 2HB ASN 24 1HB ASN 24 2.691 14.350 4.014 168 1HD2 ASN 24 1HD2 ASN 24 -0.554 14.698 5.320 169 2HD2 ASN 24 2HD2 ASN 24 -0.755 16.351 4.864 170 H ASP 25 H ASP 25 2.145 11.679 2.614 171 HA ASP 25 HA ASP 25 0.938 12.972 0.374 172 1HB ASP 25 2HB ASP 25 2.586 10.466 0.653 173 2HB ASP 25 1HB ASP 25 1.853 10.911 -0.885 174 H ILE 26 H ILE 26 0.477 9.779 1.880 175 HA ILE 26 HA ILE 26 -1.708 9.109 0.193 176 HB ILE 26 HB ILE 26 -0.295 7.409 1.298 177 1HG1 ILE 26 2HG1 ILE 26 -2.727 6.997 0.557 178 2HG1 ILE 26 1HG1 ILE 26 -1.964 5.801 1.595 179 1HG2 ILE 26 1HG2 ILE 26 -0.660 6.832 3.654 180 2HG2 ILE 26 2HG2 ILE 26 -1.658 8.276 3.834 181 3HG2 ILE 26 3HG2 ILE 26 0.055 8.430 3.440 182 1HD1 ILE 26 1HD1 ILE 26 -3.145 6.745 3.525 183 2HD1 ILE 26 2HD1 ILE 26 -4.255 6.199 2.268 184 3HD1 ILE 26 3HD1 ILE 26 -3.920 7.920 2.461 185 H GLY 27 H GLY 27 -1.458 10.521 3.446 186 1HA GLY 27 2HA GLY 27 -3.092 12.380 3.725 187 2HA GLY 27 1HA GLY 27 -4.309 11.251 3.155 188 H VAL 28 H VAL 28 -2.323 9.445 5.049 189 HA VAL 28 HA VAL 28 -4.005 9.955 7.418 190 HB VAL 28 HB VAL 28 -3.808 7.584 8.005 191 1HG1 VAL 28 1HG1 VAL 28 -5.236 6.658 6.238 192 2HG1 VAL 28 2HG1 VAL 28 -4.834 8.030 5.205 193 3HG1 VAL 28 3HG1 VAL 28 -5.731 8.286 6.701 194 1HG2 VAL 28 1HG2 VAL 28 -2.869 5.964 6.445 195 2HG2 VAL 28 2HG2 VAL 28 -1.643 7.131 6.951 196 3HG2 VAL 28 3HG2 VAL 28 -2.392 7.271 5.358 197 H THR 29 H THR 29 -3.037 9.424 9.494 198 HA THR 29 HA THR 29 -0.363 10.332 9.764 199 HB THR 29 HB THR 29 -1.673 10.805 11.627 200 HG1 THR 29 HG1 THR 29 -0.426 10.019 13.180 201 1HG2 THR 29 1HG2 THR 29 -2.532 7.912 11.757 202 2HG2 THR 29 2HG2 THR 29 -3.510 9.241 11.133 203 3HG2 THR 29 3HG2 THR 29 -3.060 9.204 12.838 204 H GLU 30 H GLU 30 1.348 9.153 10.824 205 HA GLU 30 HA GLU 30 2.049 6.819 9.424 206 1HB GLU 30 2HB GLU 30 3.947 6.674 11.017 207 2HB GLU 30 1HB GLU 30 3.761 8.271 10.307 208 1HG GLU 30 2HG GLU 30 2.722 9.087 12.325 209 2HG GLU 30 1HG GLU 30 2.784 7.475 13.040 210 H ASP 31 H ASP 31 0.442 7.292 12.490 211 HA ASP 31 HA ASP 31 0.753 4.741 13.592 212 1HB ASP 31 2HB ASP 31 -1.476 6.760 13.835 213 2HB ASP 31 1HB ASP 31 -1.496 5.232 14.711 214 H GLN 32 H GLN 32 -1.878 5.984 11.551 215 HA GLN 32 HA GLN 32 -3.081 3.409 11.249 216 1HB GLN 32 2HB GLN 32 -3.524 6.060 9.891 217 2HB GLN 32 1HB GLN 32 -4.395 4.613 9.412 218 1HG GLN 32 2HG GLN 32 -5.252 4.408 11.714 219 2HG GLN 32 1HG GLN 32 -4.437 5.916 12.123 220 1HE2 GLN 32 1HE2 GLN 32 -5.253 7.845 11.372 221 2HE2 GLN 32 2HE2 GLN 32 -6.826 7.981 10.671 222 H PHE 33 H PHE 33 -0.852 5.372 9.387 223 HA PHE 33 HA PHE 33 -0.834 3.951 6.985 224 1HB PHE 33 2HB PHE 33 0.288 6.142 7.382 225 2HB PHE 33 1HB PHE 33 1.503 5.316 8.349 226 HD1 PHE 33 HD1 PHE 33 0.043 5.400 4.932 227 HD2 PHE 33 HD2 PHE 33 3.434 4.515 7.351 228 HE1 PHE 33 HE1 PHE 33 1.396 5.043 2.908 229 HE2 PHE 33 HE2 PHE 33 4.787 4.153 5.330 230 HZ PHE 33 HZ PHE 33 3.769 4.418 3.105 231 H ASP 34 H ASP 34 1.358 3.610 9.767 232 HA ASP 34 HA ASP 34 2.782 1.374 8.937 233 1HB ASP 34 2HB ASP 34 3.401 2.718 10.888 234 2HB ASP 34 1HB ASP 34 1.964 2.175 11.742 235 H ASP 35 H ASP 35 -0.173 1.527 10.885 236 HA ASP 35 HA ASP 35 -0.499 -1.193 11.370 237 1HB ASP 35 2HB ASP 35 -1.774 0.475 12.568 238 2HB ASP 35 1HB ASP 35 -2.558 0.997 11.084 239 H ALA 36 H ALA 36 -1.856 0.766 8.725 240 HA ALA 36 HA ALA 36 -3.288 -1.407 7.578 241 1HB ALA 36 1HB ALA 36 -3.768 0.094 5.753 242 2HB ALA 36 2HB ALA 36 -2.494 1.196 6.281 243 3HB ALA 36 3HB ALA 36 -3.926 0.954 7.286 244 H VAL 37 H VAL 37 -0.183 0.144 6.767 245 HA VAL 37 HA VAL 37 0.324 -1.340 4.436 246 HB VAL 37 HB VAL 37 2.268 -0.060 6.367 247 1HG1 VAL 37 1HG1 VAL 37 3.395 -1.840 5.107 248 2HG1 VAL 37 2HG1 VAL 37 3.946 -0.243 4.599 249 3HG1 VAL 37 3HG1 VAL 37 2.805 -1.140 3.598 250 1HG2 VAL 37 1HG2 VAL 37 0.740 1.482 5.235 251 2HG2 VAL 37 2HG2 VAL 37 1.229 0.820 3.675 252 3HG2 VAL 37 3HG2 VAL 37 2.398 1.689 4.667 253 H ASN 38 H ASN 38 1.008 -2.044 7.834 254 HA ASN 38 HA ASN 38 2.509 -4.380 7.470 255 1HB ASN 38 2HB ASN 38 0.858 -3.265 9.673 256 2HB ASN 38 1HB ASN 38 1.181 -4.996 9.732 257 1HD2 ASN 38 1HD2 ASN 38 2.573 -1.814 9.824 258 2HD2 ASN 38 2HD2 ASN 38 4.116 -2.293 10.459 259 H PHE 39 H PHE 39 -1.009 -3.978 7.850 260 HA PHE 39 HA PHE 39 -1.638 -6.710 7.613 261 1HB PHE 39 2HB PHE 39 -3.190 -5.003 8.514 262 2HB PHE 39 1HB PHE 39 -3.374 -4.337 6.893 263 HD1 PHE 39 HD1 PHE 39 -4.904 -5.256 5.372 264 HD2 PHE 39 HD2 PHE 39 -3.945 -7.366 8.944 265 HE1 PHE 39 HE1 PHE 39 -6.730 -6.843 4.923 266 HE2 PHE 39 HE2 PHE 39 -5.773 -8.953 8.502 267 HZ PHE 39 HZ PHE 39 -7.162 -8.695 6.486 268 H LEU 40 H LEU 40 -1.326 -4.155 5.206 269 HA LEU 40 HA LEU 40 -2.301 -5.589 2.988 270 1HB LEU 40 2HB LEU 40 -0.240 -3.386 3.108 271 2HB LEU 40 1HB LEU 40 -1.010 -3.952 1.640 272 HG LEU 40 HG LEU 40 -2.473 -2.694 3.962 273 1HD1 LEU 40 1HD1 LEU 40 -1.668 -1.524 1.305 274 2HD1 LEU 40 2HD1 LEU 40 -1.030 -1.070 2.886 275 3HD1 LEU 40 3HD1 LEU 40 -2.721 -0.753 2.491 276 1HD2 LEU 40 1HD2 LEU 40 -3.381 -3.440 1.186 277 2HD2 LEU 40 2HD2 LEU 40 -4.340 -2.564 2.378 278 3HD2 LEU 40 3HD2 LEU 40 -3.855 -4.231 2.688 279 H LYS 41 H LYS 41 0.887 -5.393 4.443 280 HA LYS 41 HA LYS 41 2.150 -6.974 2.406 281 1HB LYS 41 2HB LYS 41 3.399 -5.305 3.680 282 2HB LYS 41 1HB LYS 41 3.063 -6.164 5.172 283 1HG LYS 41 2HG LYS 41 4.464 -7.981 4.542 284 2HG LYS 41 1HG LYS 41 4.640 -7.351 2.901 285 1HD LYS 41 2HD LYS 41 5.905 -5.484 3.669 286 2HD LYS 41 1HD LYS 41 5.527 -5.845 5.353 287 1HE LYS 41 2HE LYS 41 7.127 -7.656 3.554 288 2HE LYS 41 1HE LYS 41 7.838 -6.477 4.654 289 1HZ LYS 41 1HZ LYS 41 7.864 -8.376 5.915 290 2HZ LYS 41 2HZ LYS 41 6.413 -8.964 5.272 291 3HZ LYS 41 3HZ LYS 41 6.381 -7.704 6.399 292 H ARG 42 H ARG 42 0.685 -7.549 5.544 293 HA ARG 42 HA ARG 42 1.554 -10.222 5.884 294 1HB ARG 42 2HB ARG 42 -0.805 -8.698 6.992 295 2HB ARG 42 1HB ARG 42 -0.446 -10.359 7.446 296 1HG ARG 42 2HG ARG 42 1.861 -8.604 7.693 297 2HG ARG 42 1HG ARG 42 0.499 -8.098 8.693 298 1HD ARG 42 2HD ARG 42 2.080 -9.659 9.824 299 2HD ARG 42 1HD ARG 42 0.411 -10.223 9.775 300 HE ARG 42 HE ARG 42 1.026 -11.815 8.117 301 1HH1 ARG 42 1HH1 ARG 42 3.744 -10.055 9.477 302 2HH1 ARG 42 2HH1 ARG 42 4.911 -11.278 9.052 303 1HH2 ARG 42 1HH2 ARG 42 2.557 -13.420 7.560 304 2HH2 ARG 42 2HH2 ARG 42 4.230 -13.181 7.953 305 H GLU 43 H GLU 43 -1.439 -8.850 4.522 306 HA GLU 43 HA GLU 43 -2.417 -11.493 3.866 307 1HB GLU 43 2HB GLU 43 -3.545 -8.816 4.027 308 2HB GLU 43 1HB GLU 43 -4.093 -9.687 2.599 309 1HG GLU 43 2HG GLU 43 -4.272 -10.674 5.439 310 2HG GLU 43 1HG GLU 43 -5.598 -10.004 4.489 311 H GLY 44 H GLY 44 -0.090 -9.793 2.492 312 1HA GLY 44 2HA GLY 44 0.993 -10.101 0.501 313 2HA GLY 44 1HA GLY 44 -0.152 -11.388 0.165 314 H TYR 45 H TYR 45 -0.667 -7.887 0.600 315 HA TYR 45 HA TYR 45 -1.889 -7.809 -2.063 316 1HB TYR 45 2HB TYR 45 -1.751 -5.720 0.124 317 2HB TYR 45 1HB TYR 45 -2.527 -5.477 -1.438 318 HD1 TYR 45 HD1 TYR 45 -4.301 -7.412 -2.030 319 HD2 TYR 45 HD2 TYR 45 -3.120 -6.266 1.890 320 HE1 TYR 45 HE1 TYR 45 -6.408 -8.314 -1.141 321 HE2 TYR 45 HE2 TYR 45 -5.223 -7.167 2.795 322 HH TYR 45 HH TYR 45 -7.217 -9.229 1.131 323 H ILE 46 H ILE 46 0.740 -6.433 -0.177 324 HA ILE 46 HA ILE 46 2.197 -5.968 -2.658 325 HB ILE 46 HB ILE 46 3.161 -3.838 -1.491 326 1HG1 ILE 46 2HG1 ILE 46 1.187 -2.600 -0.357 327 2HG1 ILE 46 1HG1 ILE 46 0.518 -4.206 -0.093 328 1HG2 ILE 46 1HG2 ILE 46 1.507 -2.443 -2.653 329 2HG2 ILE 46 2HG2 ILE 46 0.457 -3.850 -2.821 330 3HG2 ILE 46 3HG2 ILE 46 2.026 -3.818 -3.627 331 1HD1 ILE 46 1HD1 ILE 46 1.699 -3.417 1.866 332 2HD1 ILE 46 2HD1 ILE 46 3.170 -3.207 0.916 333 3HD1 ILE 46 3HD1 ILE 46 2.509 -4.821 1.175 334 H ILE 47 H ILE 47 4.389 -6.306 -2.509 335 HA ILE 47 HA ILE 47 5.440 -7.006 0.146 336 HB ILE 47 HB ILE 47 6.714 -8.870 -0.738 337 1HG1 ILE 47 2HG1 ILE 47 6.873 -7.970 -3.098 338 2HG1 ILE 47 1HG1 ILE 47 6.573 -9.696 -2.962 339 1HG2 ILE 47 1HG2 ILE 47 3.782 -9.086 -1.378 340 2HG2 ILE 47 2HG2 ILE 47 4.546 -9.368 0.185 341 3HG2 ILE 47 3HG2 ILE 47 4.879 -10.449 -1.166 342 1HD1 ILE 47 1HD1 ILE 47 5.250 -8.723 -4.736 343 2HD1 ILE 47 2HD1 ILE 47 4.530 -7.584 -3.596 344 3HD1 ILE 47 3HD1 ILE 47 4.206 -9.310 -3.440 345 H GLY 48 H GLY 48 7.965 -7.306 -0.103 346 1HA GLY 48 2HA GLY 48 9.990 -6.441 -0.923 347 2HA GLY 48 1HA GLY 48 9.081 -5.417 -2.030 348 H VAL 49 H VAL 49 7.701 -5.223 0.965 349 HA VAL 49 HA VAL 49 8.677 -2.566 1.429 350 HB VAL 49 HB VAL 49 6.930 -4.287 3.207 351 1HG1 VAL 49 1HG1 VAL 49 7.394 -1.308 3.166 352 2HG1 VAL 49 2HG1 VAL 49 7.947 -2.434 4.406 353 3HG1 VAL 49 3HG1 VAL 49 6.221 -2.146 4.180 354 1HG2 VAL 49 1HG2 VAL 49 6.166 -2.251 1.112 355 2HG2 VAL 49 2HG2 VAL 49 5.051 -3.040 2.227 356 3HG2 VAL 49 3HG2 VAL 49 5.908 -3.994 1.017 357 H HIS 50 H HIS 50 10.618 -2.240 2.264 358 HA HIS 50 HA HIS 50 11.892 -4.333 3.814 359 1HB HIS 50 2HB HIS 50 13.077 -3.157 1.964 360 2HB HIS 50 1HB HIS 50 13.000 -1.671 2.901 361 HD1 HIS 50 HD1 HIS 50 14.860 -4.863 2.577 362 HD2 HIS 50 HD2 HIS 50 14.710 -1.615 5.174 363 HE1 HIS 50 HE1 HIS 50 16.934 -5.026 3.995 364 HE2 HIS 50 HE2 HIS 50 16.760 -3.120 5.639 365 H TYR 51 H TYR 51 11.438 -4.397 5.910 366 HA TYR 51 HA TYR 51 10.974 -2.022 7.466 367 1HB TYR 51 2HB TYR 51 11.320 -4.929 8.217 368 2HB TYR 51 1HB TYR 51 11.100 -3.657 9.413 369 HD1 TYR 51 HD1 TYR 51 9.484 -4.979 6.316 370 HD2 TYR 51 HD2 TYR 51 8.964 -3.204 10.147 371 HE1 TYR 51 HE1 TYR 51 7.050 -5.185 6.075 372 HE2 TYR 51 HE2 TYR 51 6.524 -3.403 9.916 373 HH TYR 51 HH TYR 51 4.852 -3.666 8.248 374 H SER 52 H SER 52 12.393 -0.914 8.654 375 HA SER 52 HA SER 52 15.181 -1.841 8.648 376 1HB SER 52 2HB SER 52 14.532 0.456 7.698 377 2HB SER 52 1HB SER 52 14.209 0.933 9.363 378 HG SER 52 HG SER 52 16.258 1.266 9.562 379 H ASP 53 H ASP 53 13.169 -2.937 10.306 380 HA ASP 53 HA ASP 53 12.890 -3.715 12.404 381 1HB ASP 53 2HB ASP 53 15.323 -3.604 12.704 382 2HB ASP 53 1HB ASP 53 15.192 -1.915 13.184 383 H ASP 54 H ASP 54 13.483 -0.212 12.318 384 HA ASP 54 HA ASP 54 11.760 0.339 14.523 385 1HB ASP 54 2HB ASP 54 12.070 2.680 13.964 386 2HB ASP 54 1HB ASP 54 13.613 1.847 13.824 387 H ARG 55 H ARG 55 11.382 0.798 11.013 388 HA ARG 55 HA ARG 55 8.485 0.519 11.269 389 1HB ARG 55 2HB ARG 55 9.859 2.958 10.120 390 2HB ARG 55 1HB ARG 55 8.165 2.580 9.854 391 1HG ARG 55 2HG ARG 55 9.388 3.034 12.562 392 2HG ARG 55 1HG ARG 55 8.588 4.282 11.608 393 1HD ARG 55 2HD ARG 55 6.546 2.826 11.587 394 2HD ARG 55 1HD ARG 55 7.367 1.764 12.734 395 HE ARG 55 HE ARG 55 7.535 4.243 13.860 396 1HH1 ARG 55 1HH1 ARG 55 4.917 2.177 12.787 397 2HH1 ARG 55 2HH1 ARG 55 3.750 2.885 13.869 398 1HH2 ARG 55 1HH2 ARG 55 6.006 5.177 15.270 399 2HH2 ARG 55 2HH2 ARG 55 4.372 4.572 15.299 400 HA PRO 56 HA PRO 56 9.031 -1.069 7.076 401 1HB PRO 56 2HB PRO 56 6.630 -0.479 5.973 402 2HB PRO 56 1HB PRO 56 6.849 -1.799 7.127 403 1HG PRO 56 2HG PRO 56 5.736 0.936 7.569 404 2HG PRO 56 1HG PRO 56 5.218 -0.614 8.254 405 1HD PRO 56 2HD PRO 56 6.757 1.216 9.597 406 2HD PRO 56 1HD PRO 56 6.760 -0.526 9.934 407 H HIS 57 H HIS 57 10.539 0.220 6.078 408 HA HIS 57 HA HIS 57 9.823 2.976 5.437 409 1HB HIS 57 2HB HIS 57 12.444 1.496 5.433 410 2HB HIS 57 1HB HIS 57 12.274 3.089 4.710 411 HD1 HIS 57 HD1 HIS 57 12.325 5.084 6.256 412 HD2 HIS 57 HD2 HIS 57 12.068 1.463 8.294 413 HE1 HIS 57 HE1 HIS 57 12.680 5.639 8.686 414 HE2 HIS 57 HE2 HIS 57 12.547 3.433 9.906 415 H LEU 58 H LEU 58 8.740 3.208 3.619 416 HA LEU 58 HA LEU 58 9.108 1.494 1.350 417 1HB LEU 58 2HB LEU 58 7.612 4.102 1.624 418 2HB LEU 58 1HB LEU 58 7.554 3.055 0.221 419 HG LEU 58 HG LEU 58 6.569 2.348 2.985 420 1HD1 LEU 58 1HD1 LEU 58 5.082 2.961 0.438 421 2HD1 LEU 58 2HD1 LEU 58 5.138 3.968 1.884 422 3HD1 LEU 58 3HD1 LEU 58 4.355 2.389 1.938 423 1HD2 LEU 58 1HD2 LEU 58 6.435 0.789 0.409 424 2HD2 LEU 58 2HD2 LEU 58 5.694 0.329 1.940 425 3HD2 LEU 58 3HD2 LEU 58 7.449 0.402 1.798 426 H TYR 59 H TYR 59 10.917 1.618 0.222 427 HA TYR 59 HA TYR 59 12.285 4.169 -0.081 428 1HB TYR 59 2HB TYR 59 13.092 1.377 -0.933 429 2HB TYR 59 1HB TYR 59 14.104 2.813 -1.073 430 HD1 TYR 59 HD1 TYR 59 14.359 4.155 1.230 431 HD2 TYR 59 HD2 TYR 59 13.436 0.011 0.909 432 HE1 TYR 59 HE1 TYR 59 15.179 3.802 3.520 433 HE2 TYR 59 HE2 TYR 59 14.255 -0.351 3.200 434 HH TYR 59 HH TYR 59 15.852 0.787 4.805 435 H LYS 60 H LYS 60 13.511 3.815 -2.539 436 HA LYS 60 HA LYS 60 11.406 4.773 -4.239 437 1HB LYS 60 2HB LYS 60 14.296 4.194 -4.909 438 2HB LYS 60 1HB LYS 60 13.180 5.166 -5.857 439 1HG LYS 60 2HG LYS 60 13.124 6.866 -4.197 440 2HG LYS 60 1HG LYS 60 14.006 5.852 -3.051 441 1HD LYS 60 2HD LYS 60 15.958 5.886 -4.508 442 2HD LYS 60 1HD LYS 60 15.081 6.876 -5.674 443 1HE LYS 60 2HE LYS 60 14.903 8.674 -4.059 444 2HE LYS 60 1HE LYS 60 15.683 7.677 -2.831 445 1HZ LYS 60 1HZ LYS 60 16.939 8.588 -5.368 446 2HZ LYS 60 2HZ LYS 60 17.688 7.639 -4.180 447 3HZ LYS 60 3HZ LYS 60 17.235 9.235 -3.829 448 H LEU 61 H LEU 61 13.566 1.983 -4.183 449 HA LEU 61 HA LEU 61 11.758 0.630 -6.070 450 1HB LEU 61 2HB LEU 61 13.978 1.277 -7.048 451 2HB LEU 61 1HB LEU 61 14.744 0.233 -5.866 452 HG LEU 61 HG LEU 61 13.566 -1.707 -6.833 453 1HD1 LEU 61 1HD1 LEU 61 12.598 0.300 -8.865 454 2HD1 LEU 61 2HD1 LEU 61 11.603 -0.573 -7.702 455 3HD1 LEU 61 3HD1 LEU 61 12.423 -1.450 -8.991 456 1HD2 LEU 61 1HD2 LEU 61 15.812 -1.122 -7.591 457 2HD2 LEU 61 2HD2 LEU 61 15.126 -0.078 -8.833 458 3HD2 LEU 61 3HD2 LEU 61 14.858 -1.820 -8.898 459 H GLY 62 H GLY 62 11.012 -1.303 -5.419 460 1HA GLY 62 2HA GLY 62 12.052 -3.323 -4.033 461 2HA GLY 62 1HA GLY 62 11.755 -2.167 -2.743 462 HA PRO 63 HA PRO 63 7.485 -3.192 -2.370 463 1HB PRO 63 2HB PRO 63 6.591 -0.561 -3.414 464 2HB PRO 63 1HB PRO 63 6.238 -1.342 -1.867 465 1HG PRO 63 2HG PRO 63 7.931 0.704 -1.987 466 2HG PRO 63 1HG PRO 63 8.250 -0.680 -0.924 467 1HD PRO 63 2HD PRO 63 9.451 -0.025 -3.589 468 2HD PRO 63 1HD PRO 63 10.233 -0.662 -2.124 469 H GLU 64 H GLU 64 6.556 -4.590 -3.665 470 HA GLU 64 HA GLU 64 5.811 -3.765 -6.397 471 1HB GLU 64 2HB GLU 64 7.707 -5.665 -5.798 472 2HB GLU 64 1HB GLU 64 6.257 -6.642 -5.963 473 1HG GLU 64 2HG GLU 64 7.153 -4.679 -8.049 474 2HG GLU 64 1HG GLU 64 7.657 -6.367 -8.028 475 H LEU 65 H LEU 65 3.851 -4.752 -7.183 476 HA LEU 65 HA LEU 65 1.993 -5.246 -4.970 477 1HB LEU 65 2HB LEU 65 1.538 -4.486 -7.856 478 2HB LEU 65 1HB LEU 65 0.238 -4.934 -6.771 479 HG LEU 65 HG LEU 65 1.023 -3.014 -5.282 480 1HD1 LEU 65 1HD1 LEU 65 2.457 -2.235 -7.813 481 2HD1 LEU 65 2HD1 LEU 65 3.214 -2.666 -6.279 482 3HD1 LEU 65 3HD1 LEU 65 2.228 -1.209 -6.398 483 1HD2 LEU 65 1HD2 LEU 65 -0.209 -1.362 -6.609 484 2HD2 LEU 65 2HD2 LEU 65 -1.019 -2.929 -6.585 485 3HD2 LEU 65 3HD2 LEU 65 -0.110 -2.427 -8.011 486 H THR 66 H THR 66 0.607 -7.030 -4.941 487 HA THR 66 HA THR 66 1.560 -9.328 -6.461 488 HB THR 66 HB THR 66 0.153 -10.663 -4.985 489 HG1 THR 66 HG1 THR 66 -0.923 -9.383 -3.221 490 1HG2 THR 66 1HG2 THR 66 1.181 -10.122 -2.821 491 2HG2 THR 66 2HG2 THR 66 1.675 -8.549 -3.451 492 3HG2 THR 66 3HG2 THR 66 2.354 -10.028 -4.133 493 H GLU 67 H GLU 67 -0.032 -10.741 -7.557 494 HA GLU 67 HA GLU 67 -1.842 -9.302 -9.198 495 1HB GLU 67 2HB GLU 67 -0.716 -11.498 -9.761 496 2HB GLU 67 1HB GLU 67 -1.856 -12.278 -8.673 497 1HG GLU 67 2HG GLU 67 -3.710 -11.445 -10.053 498 2HG GLU 67 1HG GLU 67 -2.539 -10.729 -11.160 499 H LYS 68 H LYS 68 -2.050 -10.923 -6.165 500 HA LYS 68 HA LYS 68 -4.822 -11.120 -5.818 501 1HB LYS 68 2HB LYS 68 -3.008 -12.100 -4.372 502 2HB LYS 68 1HB LYS 68 -2.737 -10.492 -3.722 503 1HG LYS 68 2HG LYS 68 -4.999 -10.463 -2.820 504 2HG LYS 68 1HG LYS 68 -5.291 -12.072 -3.488 505 1HD LYS 68 2HD LYS 68 -3.403 -12.931 -2.139 506 2HD LYS 68 1HD LYS 68 -3.224 -11.330 -1.422 507 1HE LYS 68 2HE LYS 68 -5.497 -11.481 -0.527 508 2HE LYS 68 1HE LYS 68 -5.666 -13.089 -1.235 509 1HZ LYS 68 1HZ LYS 68 -3.776 -13.812 0.135 510 2HZ LYS 68 2HZ LYS 68 -5.083 -13.276 1.073 511 3HZ LYS 68 3HZ LYS 68 -3.729 -12.282 0.864 512 H GLY 69 H GLY 69 -2.554 -8.537 -4.855 513 1HA GLY 69 2HA GLY 69 -4.577 -6.748 -3.959 514 2HA GLY 69 1HA GLY 69 -2.905 -6.331 -4.310 515 H GLU 70 H GLU 70 -3.026 -7.281 -7.050 516 HA GLU 70 HA GLU 70 -3.861 -4.939 -8.358 517 1HB GLU 70 2HB GLU 70 -2.207 -6.864 -9.053 518 2HB GLU 70 1HB GLU 70 -3.639 -7.565 -9.790 519 1HG GLU 70 2HG GLU 70 -2.793 -4.756 -10.395 520 2HG GLU 70 1HG GLU 70 -2.088 -6.133 -11.236 521 H ASN 71 H ASN 71 -5.390 -8.118 -7.997 522 HA ASN 71 HA ASN 71 -7.742 -7.445 -9.451 523 1HB ASN 71 2HB ASN 71 -6.988 -9.672 -7.599 524 2HB ASN 71 1HB ASN 71 -8.681 -9.441 -8.016 525 1HD2 ASN 71 1HD2 ASN 71 -5.536 -10.336 -9.189 526 2HD2 ASN 71 2HD2 ASN 71 -6.069 -10.983 -10.708 527 H TYR 72 H TYR 72 -6.757 -7.122 -6.112 528 HA TYR 72 HA TYR 72 -9.284 -6.538 -4.999 529 1HB TYR 72 2HB TYR 72 -7.173 -7.093 -3.723 530 2HB TYR 72 1HB TYR 72 -6.610 -5.461 -4.065 531 HD1 TYR 72 HD1 TYR 72 -6.689 -4.167 -2.163 532 HD2 TYR 72 HD2 TYR 72 -9.884 -6.870 -2.925 533 HE1 TYR 72 HE1 TYR 72 -7.854 -3.349 -0.157 534 HE2 TYR 72 HE2 TYR 72 -11.059 -6.059 -0.923 535 HH TYR 72 HH TYR 72 -10.175 -3.236 0.721 536 H LEU 73 H LEU 73 -6.842 -4.565 -6.583 537 HA LEU 73 HA LEU 73 -7.890 -2.020 -6.121 538 1HB LEU 73 2HB LEU 73 -6.367 -3.115 -8.480 539 2HB LEU 73 1HB LEU 73 -6.755 -1.416 -8.292 540 HG LEU 73 HG LEU 73 -5.074 -3.024 -6.368 541 1HD1 LEU 73 1HD1 LEU 73 -4.266 -0.989 -8.444 542 2HD1 LEU 73 2HD1 LEU 73 -3.969 -2.725 -8.523 543 3HD1 LEU 73 3HD1 LEU 73 -3.193 -1.755 -7.272 544 1HD2 LEU 73 1HD2 LEU 73 -5.639 -0.062 -6.519 545 2HD2 LEU 73 2HD2 LEU 73 -4.563 -0.861 -5.372 546 3HD2 LEU 73 3HD2 LEU 73 -6.297 -1.176 -5.321 547 H LYS 74 H LYS 74 -8.830 -4.492 -8.393 548 HA LYS 74 HA LYS 74 -10.389 -2.937 -10.129 549 1HB LYS 74 2HB LYS 74 -9.654 -5.255 -10.582 550 2HB LYS 74 1HB LYS 74 -10.761 -5.834 -9.346 551 1HG LYS 74 2HG LYS 74 -12.639 -4.891 -10.661 552 2HG LYS 74 1HG LYS 74 -11.484 -4.480 -11.931 553 1HD LYS 74 2HD LYS 74 -10.857 -6.874 -12.069 554 2HD LYS 74 1HD LYS 74 -12.123 -7.240 -10.895 555 1HE LYS 74 2HE LYS 74 -12.943 -7.655 -13.130 556 2HE LYS 74 1HE LYS 74 -13.789 -6.272 -12.435 557 1HZ LYS 74 1HZ LYS 74 -12.316 -4.800 -13.680 558 2HZ LYS 74 2HZ LYS 74 -13.148 -5.848 -14.721 559 3HZ LYS 74 3HZ LYS 74 -11.521 -6.139 -14.354 560 H GLU 75 H GLU 75 -11.082 -4.357 -6.995 561 HA GLU 75 HA GLU 75 -13.931 -3.910 -7.233 562 1HB GLU 75 2HB GLU 75 -12.268 -4.891 -4.909 563 2HB GLU 75 1HB GLU 75 -14.026 -4.827 -4.937 564 1HG GLU 75 2HG GLU 75 -14.011 -6.377 -6.863 565 2HG GLU 75 1HG GLU 75 -12.258 -6.497 -6.712 566 H ASN 76 H ASN 76 -11.218 -2.529 -5.419 567 HA ASN 76 HA ASN 76 -13.019 -0.654 -4.108 568 1HB ASN 76 2HB ASN 76 -10.965 0.089 -2.870 569 2HB ASN 76 1HB ASN 76 -11.435 -1.584 -2.611 570 1HD2 ASN 76 1HD2 ASN 76 -9.757 -0.441 -5.487 571 2HD2 ASN 76 2HD2 ASN 76 -8.269 -1.242 -5.141 572 H GLY 77 H GLY 77 -11.754 -0.647 -7.037 573 1HA GLY 77 2HA GLY 77 -10.273 1.647 -7.433 574 2HA GLY 77 1HA GLY 77 -11.394 0.986 -8.607 575 H THR 78 H THR 78 -13.593 1.488 -6.524 576 HA THR 78 HA THR 78 -14.287 4.142 -7.331 577 HB THR 78 HB THR 78 -16.082 2.600 -7.096 578 HG1 THR 78 HG1 THR 78 -17.439 3.777 -5.847 579 1HG2 THR 78 1HG2 THR 78 -15.179 2.127 -4.254 580 2HG2 THR 78 2HG2 THR 78 -15.069 0.986 -5.595 581 3HG2 THR 78 3HG2 THR 78 -16.648 1.474 -4.979 582 H TRP 79 H TRP 79 -15.278 4.010 -4.165 583 HA TRP 79 HA TRP 79 -14.558 4.731 -2.136 584 1HB TRP 79 2HB TRP 79 -12.581 3.397 -2.296 585 2HB TRP 79 1HB TRP 79 -11.827 4.531 -3.411 586 HD1 TRP 79 HD1 TRP 79 -12.853 4.283 0.304 587 HE1 TRP 79 HE1 TRP 79 -11.312 5.830 1.664 588 HE3 TRP 79 HE3 TRP 79 -10.290 6.449 -3.540 589 HZ2 TRP 79 HZ2 TRP 79 -9.279 7.718 1.173 590 HZ3 TRP 79 HZ3 TRP 79 -8.565 8.119 -3.016 591 HH2 TRP 79 HH2 TRP 79 -8.069 8.742 -0.708 592 H SER 80 H SER 80 -15.153 6.643 -1.535 593 HA SER 80 HA SER 80 -15.134 8.834 -1.055 594 1HB SER 80 2HB SER 80 -12.446 8.775 -2.418 595 2HB SER 80 1HB SER 80 -13.101 10.187 -1.582 596 HG SER 80 HG SER 80 -12.424 7.659 -0.506 597 H LYS 81 H LYS 81 -13.773 8.740 -4.413 598 HA LYS 81 HA LYS 81 -15.155 11.204 -4.935 599 1HB LYS 81 2HB LYS 81 -14.160 11.187 -7.143 600 2HB LYS 81 1HB LYS 81 -12.949 10.831 -5.929 601 1HG LYS 81 2HG LYS 81 -14.270 8.578 -7.367 602 2HG LYS 81 1HG LYS 81 -13.030 9.523 -8.189 603 1HD LYS 81 2HD LYS 81 -11.503 9.042 -6.268 604 2HD LYS 81 1HD LYS 81 -12.744 7.965 -5.621 605 1HE LYS 81 2HE LYS 81 -12.652 6.635 -7.681 606 2HE LYS 81 1HE LYS 81 -11.397 7.701 -8.311 607 1HZ LYS 81 1HZ LYS 81 -10.431 5.702 -7.392 608 2HZ LYS 81 2HZ LYS 81 -11.187 5.973 -5.903 609 3HZ LYS 81 3HZ LYS 81 -9.977 7.035 -6.448 610 H ALA 82 H ALA 82 -17.277 10.583 -4.536 611 HA ALA 82 HA ALA 82 -18.535 8.722 -6.381 612 1HB ALA 82 1HB ALA 82 -19.739 10.299 -4.108 613 2HB ALA 82 2HB ALA 82 -19.127 8.649 -3.999 614 3HB ALA 82 3HB ALA 82 -20.524 9.005 -5.015 Start of MODEL 16 1 H LYS 5 H LYS 5 -9.679 1.529 4.166 2 HA LYS 5 HA LYS 5 -11.700 1.645 2.294 3 1HB LYS 5 2HB LYS 5 -12.545 3.969 2.601 4 2HB LYS 5 1HB LYS 5 -13.073 2.876 3.871 5 1HG LYS 5 2HG LYS 5 -11.582 3.823 5.440 6 2HG LYS 5 1HG LYS 5 -10.699 4.690 4.182 7 1HD LYS 5 2HD LYS 5 -12.667 6.076 3.754 8 2HD LYS 5 1HD LYS 5 -13.556 5.204 5.009 9 1HE LYS 5 2HE LYS 5 -12.124 6.031 6.711 10 2HE LYS 5 1HE LYS 5 -10.973 6.659 5.534 11 1HZ LYS 5 1HZ LYS 5 -12.652 8.262 4.819 12 2HZ LYS 5 2HZ LYS 5 -12.293 8.433 6.464 13 3HZ LYS 5 3HZ LYS 5 -13.734 7.677 5.990 14 H LEU 6 H LEU 6 -8.962 2.995 3.903 15 HA LEU 6 HA LEU 6 -8.150 4.680 1.704 16 1HB LEU 6 2HB LEU 6 -6.651 3.887 4.203 17 2HB LEU 6 1HB LEU 6 -6.103 5.066 3.033 18 HG LEU 6 HG LEU 6 -6.930 6.384 4.736 19 1HD1 LEU 6 1HD1 LEU 6 -9.304 6.034 2.915 20 2HD1 LEU 6 2HD1 LEU 6 -7.897 7.049 2.599 21 3HD1 LEU 6 3HD1 LEU 6 -8.972 7.427 3.944 22 1HD2 LEU 6 1HD2 LEU 6 -9.025 5.972 5.944 23 2HD2 LEU 6 2HD2 LEU 6 -7.887 4.632 6.101 24 3HD2 LEU 6 3HD2 LEU 6 -9.262 4.496 5.005 25 H ARG 7 H ARG 7 -7.871 1.402 2.463 26 HA ARG 7 HA ARG 7 -5.324 0.680 1.672 27 1HB ARG 7 2HB ARG 7 -6.938 -0.850 2.669 28 2HB ARG 7 1HB ARG 7 -7.927 -0.789 1.226 29 1HG ARG 7 2HG ARG 7 -6.200 -1.914 -0.042 30 2HG ARG 7 1HG ARG 7 -5.125 -1.880 1.359 31 1HD ARG 7 2HD ARG 7 -7.769 -3.323 1.165 32 2HD ARG 7 1HD ARG 7 -6.169 -4.065 1.159 33 HE ARG 7 HE ARG 7 -6.084 -2.817 3.477 34 1HH1 ARG 7 1HH1 ARG 7 -8.785 -4.561 2.093 35 2HH1 ARG 7 2HH1 ARG 7 -9.383 -5.093 3.626 36 1HH2 ARG 7 1HH2 ARG 7 -6.881 -3.501 5.507 37 2HH2 ARG 7 2HH2 ARG 7 -8.306 -4.480 5.574 38 H TYR 8 H TYR 8 -8.171 1.242 -0.337 39 HA TYR 8 HA TYR 8 -7.076 0.529 -2.818 40 1HB TYR 8 2HB TYR 8 -9.465 0.906 -2.530 41 2HB TYR 8 1HB TYR 8 -9.181 2.600 -2.150 42 HD1 TYR 8 HD1 TYR 8 -8.779 0.096 -4.878 43 HD2 TYR 8 HD2 TYR 8 -9.216 4.202 -3.854 44 HE1 TYR 8 HE1 TYR 8 -9.030 0.660 -7.258 45 HE2 TYR 8 HE2 TYR 8 -9.462 4.776 -6.230 46 HH TYR 8 HH TYR 8 -9.983 2.418 -8.638 47 H ALA 9 H ALA 9 -7.068 3.603 -1.072 48 HA ALA 9 HA ALA 9 -5.811 5.088 -3.146 49 1HB ALA 9 1HB ALA 9 -5.992 5.685 -0.196 50 2HB ALA 9 2HB ALA 9 -7.161 6.170 -1.424 51 3HB ALA 9 3HB ALA 9 -5.525 6.828 -1.455 52 H ILE 10 H ILE 10 -4.618 3.605 -0.139 53 HA ILE 10 HA ILE 10 -1.965 4.458 -0.344 54 HB ILE 10 HB ILE 10 -3.026 1.937 0.938 55 1HG1 ILE 10 2HG1 ILE 10 -2.395 4.662 2.099 56 2HG1 ILE 10 1HG1 ILE 10 -4.007 4.011 1.829 57 1HG2 ILE 10 1HG2 ILE 10 -0.951 1.965 2.258 58 2HG2 ILE 10 2HG2 ILE 10 -0.367 3.319 1.291 59 3HG2 ILE 10 3HG2 ILE 10 -0.637 1.747 0.537 60 1HD1 ILE 10 1HD1 ILE 10 -1.952 2.902 3.723 61 2HD1 ILE 10 2HD1 ILE 10 -3.569 2.250 3.458 62 3HD1 ILE 10 3HD1 ILE 10 -3.367 3.855 4.163 63 H LEU 11 H LEU 11 -3.488 1.460 -1.515 64 HA LEU 11 HA LEU 11 -1.184 0.312 -2.629 65 1HB LEU 11 2HB LEU 11 -4.083 0.079 -3.421 66 2HB LEU 11 1HB LEU 11 -2.812 -0.874 -4.158 67 HG LEU 11 HG LEU 11 -3.566 -0.938 -1.232 68 1HD1 LEU 11 1HD1 LEU 11 -4.442 -3.172 -1.743 69 2HD1 LEU 11 2HD1 LEU 11 -4.089 -2.915 -3.452 70 3HD1 LEU 11 3HD1 LEU 11 -5.295 -1.916 -2.640 71 1HD2 LEU 11 1HD2 LEU 11 -1.637 -2.648 -2.803 72 2HD2 LEU 11 2HD2 LEU 11 -2.065 -2.854 -1.105 73 3HD2 LEU 11 3HD2 LEU 11 -1.195 -1.412 -1.627 74 H LYS 12 H LYS 12 -3.520 2.605 -3.962 75 HA LYS 12 HA LYS 12 -2.447 2.630 -6.588 76 1HB LYS 12 2HB LYS 12 -4.743 3.410 -5.983 77 2HB LYS 12 1HB LYS 12 -4.019 4.811 -5.202 78 1HG LYS 12 2HG LYS 12 -2.946 5.314 -7.454 79 2HG LYS 12 1HG LYS 12 -4.059 4.118 -8.121 80 1HD LYS 12 2HD LYS 12 -4.992 6.346 -8.348 81 2HD LYS 12 1HD LYS 12 -5.952 5.409 -7.197 82 1HE LYS 12 2HE LYS 12 -4.880 6.496 -5.344 83 2HE LYS 12 1HE LYS 12 -3.766 7.333 -6.423 84 1HZ LYS 12 1HZ LYS 12 -5.523 8.795 -5.716 85 2HZ LYS 12 2HZ LYS 12 -6.707 7.731 -6.297 86 3HZ LYS 12 3HZ LYS 12 -5.658 8.508 -7.379 87 H GLU 13 H GLU 13 -2.004 4.765 -3.776 88 HA GLU 13 HA GLU 13 -0.266 6.600 -4.961 89 1HB GLU 13 2HB GLU 13 -1.005 5.841 -2.221 90 2HB GLU 13 1HB GLU 13 0.601 6.536 -2.368 91 1HG GLU 13 2HG GLU 13 -1.072 8.226 -1.846 92 2HG GLU 13 1HG GLU 13 -0.312 8.522 -3.407 93 H ILE 14 H ILE 14 0.433 3.509 -3.376 94 HA ILE 14 HA ILE 14 3.258 3.713 -3.657 95 HB ILE 14 HB ILE 14 1.484 1.284 -3.329 96 1HG1 ILE 14 2HG1 ILE 14 3.249 2.740 -1.342 97 2HG1 ILE 14 1HG1 ILE 14 1.497 2.894 -1.434 98 1HG2 ILE 14 1HG2 ILE 14 3.584 0.659 -4.405 99 2HG2 ILE 14 2HG2 ILE 14 3.520 0.054 -2.750 100 3HG2 ILE 14 3HG2 ILE 14 4.489 1.476 -3.131 101 1HD1 ILE 14 1HD1 ILE 14 3.021 0.376 -0.792 102 2HD1 ILE 14 2HD1 ILE 14 1.265 0.527 -0.881 103 3HD1 ILE 14 3HD1 ILE 14 2.165 1.401 0.360 104 H PHE 15 H PHE 15 0.738 2.084 -5.551 105 HA PHE 15 HA PHE 15 2.451 0.881 -7.421 106 1HB PHE 15 2HB PHE 15 0.127 0.174 -7.016 107 2HB PHE 15 1HB PHE 15 -0.452 1.673 -7.731 108 HD1 PHE 15 HD1 PHE 15 -1.356 1.405 -9.802 109 HD2 PHE 15 HD2 PHE 15 1.986 -0.991 -8.700 110 HE1 PHE 15 HE1 PHE 15 -1.393 0.334 -12.016 111 HE2 PHE 15 HE2 PHE 15 1.953 -2.064 -10.911 112 HZ PHE 15 HZ PHE 15 0.262 -1.402 -12.574 113 H GLU 16 H GLU 16 0.557 3.886 -7.659 114 HA GLU 16 HA GLU 16 1.639 4.467 -10.272 115 1HB GLU 16 2HB GLU 16 -0.223 5.971 -8.441 116 2HB GLU 16 1HB GLU 16 0.305 6.600 -9.996 117 1HG GLU 16 2HG GLU 16 -1.172 4.010 -9.586 118 2HG GLU 16 1HG GLU 16 -1.902 5.533 -10.099 119 H GLY 17 H GLY 17 2.154 5.538 -6.970 120 1HA GLY 17 2HA GLY 17 3.700 7.836 -7.679 121 2HA GLY 17 1HA GLY 17 3.575 7.119 -6.079 122 H ASN 18 H ASN 18 4.402 4.482 -7.261 123 HA ASN 18 HA ASN 18 6.263 3.243 -7.650 124 1HB ASN 18 2HB ASN 18 6.659 4.858 -9.539 125 2HB ASN 18 1HB ASN 18 7.660 5.809 -8.449 126 1HD2 ASN 18 1HD2 ASN 18 7.528 2.297 -8.523 127 2HD2 ASN 18 2HD2 ASN 18 9.150 2.066 -9.072 128 H THR 19 H THR 19 5.809 5.288 -5.283 129 HA THR 19 HA THR 19 6.636 5.724 -3.247 130 HB THR 19 HB THR 19 8.174 3.871 -2.272 131 HG1 THR 19 HG1 THR 19 8.310 3.082 -4.708 132 1HG2 THR 19 1HG2 THR 19 6.226 2.432 -1.908 133 2HG2 THR 19 2HG2 THR 19 5.371 3.265 -3.207 134 3HG2 THR 19 3HG2 THR 19 5.812 4.136 -1.738 135 HA PRO 20 HA PRO 20 7.980 5.255 -1.294 136 1HB PRO 20 2HB PRO 20 9.195 6.780 0.533 137 2HB PRO 20 1HB PRO 20 10.015 5.390 -0.189 138 1HG PRO 20 2HG PRO 20 10.306 8.298 -0.821 139 2HG PRO 20 1HG PRO 20 11.556 7.048 -0.696 140 1HD PRO 20 2HD PRO 20 10.459 7.951 -3.067 141 2HD PRO 20 1HD PRO 20 11.263 6.385 -2.853 142 H LEU 21 H LEU 21 6.905 6.593 0.595 143 HA LEU 21 HA LEU 21 6.205 9.310 -0.071 144 1HB LEU 21 2HB LEU 21 3.846 9.038 -0.229 145 2HB LEU 21 1HB LEU 21 4.579 7.949 -1.386 146 HG LEU 21 HG LEU 21 3.640 7.001 1.319 147 1HD1 LEU 21 1HD1 LEU 21 1.593 6.250 0.191 148 2HD1 LEU 21 2HD1 LEU 21 2.101 7.092 -1.273 149 3HD1 LEU 21 3HD1 LEU 21 1.739 8.008 0.191 150 1HD2 LEU 21 1HD2 LEU 21 5.202 5.549 0.090 151 2HD2 LEU 21 2HD2 LEU 21 4.104 5.555 -1.289 152 3HD2 LEU 21 3HD2 LEU 21 3.600 4.826 0.236 153 H SER 22 H SER 22 5.530 10.470 1.687 154 HA SER 22 HA SER 22 5.875 9.210 4.266 155 1HB SER 22 2HB SER 22 5.264 12.086 3.547 156 2HB SER 22 1HB SER 22 5.736 11.497 5.141 157 HG SER 22 HG SER 22 7.755 11.124 4.439 158 H GLU 23 H GLU 23 4.246 9.957 6.044 159 HA GLU 23 HA GLU 23 1.810 8.696 5.452 160 1HB GLU 23 2HB GLU 23 1.104 9.418 7.709 161 2HB GLU 23 1HB GLU 23 2.701 8.689 7.703 162 1HG GLU 23 2HG GLU 23 3.700 10.938 7.760 163 2HG GLU 23 1HG GLU 23 2.083 11.630 7.839 164 H ASN 24 H ASN 24 2.589 12.156 5.835 165 HA ASN 24 HA ASN 24 -0.133 12.983 5.506 166 1HB ASN 24 2HB ASN 24 2.496 14.429 5.604 167 2HB ASN 24 1HB ASN 24 1.028 15.282 5.140 168 1HD2 ASN 24 1HD2 ASN 24 0.916 12.672 7.432 169 2HD2 ASN 24 2HD2 ASN 24 0.633 13.649 8.831 170 H ASP 25 H ASP 25 2.142 11.882 3.298 171 HA ASP 25 HA ASP 25 1.397 13.550 1.086 172 1HB ASP 25 2HB ASP 25 3.569 12.446 1.060 173 2HB ASP 25 1HB ASP 25 2.797 10.865 1.131 174 H ILE 26 H ILE 26 0.594 10.240 2.114 175 HA ILE 26 HA ILE 26 -1.358 9.931 0.045 176 HB ILE 26 HB ILE 26 -0.181 7.989 0.969 177 1HG1 ILE 26 2HG1 ILE 26 -2.579 7.877 0.003 178 2HG1 ILE 26 1HG1 ILE 26 -1.946 6.473 0.850 179 1HG2 ILE 26 1HG2 ILE 26 0.046 8.641 3.264 180 2HG2 ILE 26 2HG2 ILE 26 -0.772 7.082 3.173 181 3HG2 ILE 26 3HG2 ILE 26 -1.699 8.545 3.502 182 1HD1 ILE 26 1HD1 ILE 26 -3.212 7.109 2.840 183 2HD1 ILE 26 2HD1 ILE 26 -4.259 6.890 1.438 184 3HD1 ILE 26 3HD1 ILE 26 -3.843 8.516 1.984 185 H GLY 27 H GLY 27 -1.437 10.800 3.486 186 1HA GLY 27 2HA GLY 27 -3.130 12.667 3.775 187 2HA GLY 27 1HA GLY 27 -4.280 11.521 3.111 188 H VAL 28 H VAL 28 -2.698 9.397 4.703 189 HA VAL 28 HA VAL 28 -4.265 9.774 7.145 190 HB VAL 28 HB VAL 28 -3.913 7.377 7.549 191 1HG1 VAL 28 1HG1 VAL 28 -5.864 8.051 6.292 192 2HG1 VAL 28 2HG1 VAL 28 -5.245 6.526 5.659 193 3HG1 VAL 28 3HG1 VAL 28 -4.938 8.031 4.789 194 1HG2 VAL 28 1HG2 VAL 28 -2.415 7.426 4.929 195 2HG2 VAL 28 2HG2 VAL 28 -2.886 5.972 5.810 196 3HG2 VAL 28 3HG2 VAL 28 -1.732 7.099 6.523 197 H THR 29 H THR 29 -3.274 9.066 9.207 198 HA THR 29 HA THR 29 -0.640 10.205 9.461 199 HB THR 29 HB THR 29 -0.931 9.770 11.879 200 HG1 THR 29 HG1 THR 29 -2.868 8.847 12.606 201 1HG2 THR 29 1HG2 THR 29 -2.824 11.284 12.235 202 2HG2 THR 29 2HG2 THR 29 -3.334 11.039 10.565 203 3HG2 THR 29 3HG2 THR 29 -1.802 11.842 10.911 204 H GLU 30 H GLU 30 1.053 9.046 10.716 205 HA GLU 30 HA GLU 30 1.902 6.711 9.539 206 1HB GLU 30 2HB GLU 30 3.357 6.431 11.601 207 2HB GLU 30 1HB GLU 30 3.492 7.964 10.748 208 1HG GLU 30 2HG GLU 30 2.350 9.129 12.399 209 2HG GLU 30 1HG GLU 30 1.650 7.660 13.085 210 H ASP 31 H ASP 31 -0.248 7.068 12.290 211 HA ASP 31 HA ASP 31 -0.220 4.441 13.250 212 1HB ASP 31 2HB ASP 31 -2.444 6.487 13.176 213 2HB ASP 31 1HB ASP 31 -2.563 4.955 14.036 214 H GLN 32 H GLN 32 -2.416 5.941 10.898 215 HA GLN 32 HA GLN 32 -3.716 3.501 10.218 216 1HB GLN 32 2HB GLN 32 -3.695 6.279 9.101 217 2HB GLN 32 1HB GLN 32 -4.389 4.980 8.144 218 1HG GLN 32 2HG GLN 32 -6.075 6.206 9.421 219 2HG GLN 32 1HG GLN 32 -5.998 4.508 9.881 220 1HE2 GLN 32 1HE2 GLN 32 -5.378 7.785 10.880 221 2HE2 GLN 32 2HE2 GLN 32 -5.154 7.435 12.557 222 H PHE 33 H PHE 33 -0.977 5.275 8.969 223 HA PHE 33 HA PHE 33 -0.750 3.920 6.489 224 1HB PHE 33 2HB PHE 33 0.273 6.137 7.010 225 2HB PHE 33 1HB PHE 33 1.416 5.327 8.072 226 HD1 PHE 33 HD1 PHE 33 3.337 4.253 7.210 227 HD2 PHE 33 HD2 PHE 33 0.338 5.717 4.568 228 HE1 PHE 33 HE1 PHE 33 4.860 3.932 5.306 229 HE2 PHE 33 HE2 PHE 33 1.854 5.391 2.660 230 HZ PHE 33 HZ PHE 33 4.119 4.499 3.026 231 H ASP 34 H ASP 34 1.003 3.555 9.568 232 HA ASP 34 HA ASP 34 2.664 1.434 8.831 233 1HB ASP 34 2HB ASP 34 3.090 2.656 10.860 234 2HB ASP 34 1HB ASP 34 1.522 2.211 11.522 235 H ASP 35 H ASP 35 -0.440 1.327 10.568 236 HA ASP 35 HA ASP 35 -0.680 -1.421 10.808 237 1HB ASP 35 2HB ASP 35 -2.190 0.111 11.950 238 2HB ASP 35 1HB ASP 35 -2.873 0.624 10.410 239 H ALA 36 H ALA 36 -1.884 0.664 8.196 240 HA ALA 36 HA ALA 36 -3.108 -1.378 6.712 241 1HB ALA 36 1HB ALA 36 -3.145 0.204 4.868 242 2HB ALA 36 2HB ALA 36 -1.986 1.232 5.713 243 3HB ALA 36 3HB ALA 36 -3.600 0.990 6.381 244 H VAL 37 H VAL 37 0.108 0.133 6.264 245 HA VAL 37 HA VAL 37 0.787 -1.353 3.977 246 HB VAL 37 HB VAL 37 2.601 -0.056 6.019 247 1HG1 VAL 37 1HG1 VAL 37 3.273 -1.089 3.264 248 2HG1 VAL 37 2HG1 VAL 37 3.810 -1.791 4.791 249 3HG1 VAL 37 3HG1 VAL 37 4.355 -0.182 4.322 250 1HG2 VAL 37 1HG2 VAL 37 2.796 1.713 4.325 251 2HG2 VAL 37 2HG2 VAL 37 1.133 1.506 4.875 252 3HG2 VAL 37 3HG2 VAL 37 1.631 0.857 3.314 253 H ASN 38 H ASN 38 1.486 -1.958 7.411 254 HA ASN 38 HA ASN 38 3.027 -4.293 6.963 255 1HB ASN 38 2HB ASN 38 1.482 -3.408 9.411 256 2HB ASN 38 1HB ASN 38 2.599 -4.770 9.378 257 1HD2 ASN 38 1HD2 ASN 38 2.693 -2.313 10.926 258 2HD2 ASN 38 2HD2 ASN 38 4.189 -1.543 10.536 259 H PHE 39 H PHE 39 -0.392 -3.748 7.595 260 HA PHE 39 HA PHE 39 -1.226 -6.426 7.736 261 1HB PHE 39 2HB PHE 39 -2.596 -4.448 8.379 262 2HB PHE 39 1HB PHE 39 -2.753 -4.037 6.677 263 HD1 PHE 39 HD1 PHE 39 -4.476 -4.922 5.401 264 HD2 PHE 39 HD2 PHE 39 -3.530 -6.684 9.154 265 HE1 PHE 39 HE1 PHE 39 -6.510 -6.300 5.261 266 HE2 PHE 39 HE2 PHE 39 -5.555 -8.073 9.020 267 HZ PHE 39 HZ PHE 39 -7.049 -7.884 7.069 268 H LEU 40 H LEU 40 -1.022 -4.183 4.994 269 HA LEU 40 HA LEU 40 -2.072 -5.829 3.013 270 1HB LEU 40 2HB LEU 40 0.084 -3.729 2.786 271 2HB LEU 40 1HB LEU 40 -0.747 -4.446 1.420 272 HG LEU 40 HG LEU 40 -2.055 -2.799 3.584 273 1HD1 LEU 40 1HD1 LEU 40 -1.405 -2.102 0.725 274 2HD1 LEU 40 2HD1 LEU 40 -0.595 -1.464 2.156 275 3HD1 LEU 40 3HD1 LEU 40 -2.294 -1.093 1.864 276 1HD2 LEU 40 1HD2 LEU 40 -3.166 -3.914 1.014 277 2HD2 LEU 40 2HD2 LEU 40 -4.017 -2.861 2.145 278 3HD2 LEU 40 3HD2 LEU 40 -3.543 -4.486 2.640 279 H LYS 41 H LYS 41 1.272 -5.526 4.130 280 HA LYS 41 HA LYS 41 2.371 -7.281 2.198 281 1HB LYS 41 2HB LYS 41 3.674 -5.621 3.545 282 2HB LYS 41 1HB LYS 41 3.465 -6.662 4.948 283 1HG LYS 41 2HG LYS 41 4.601 -8.482 3.645 284 2HG LYS 41 1HG LYS 41 4.978 -7.271 2.419 285 1HD LYS 41 2HD LYS 41 6.895 -7.271 3.699 286 2HD LYS 41 1HD LYS 41 5.981 -5.951 4.427 287 1HE LYS 41 2HE LYS 41 6.034 -8.786 5.461 288 2HE LYS 41 1HE LYS 41 7.028 -7.472 6.085 289 1HZ LYS 41 1HZ LYS 41 5.060 -6.308 6.778 290 2HZ LYS 41 2HZ LYS 41 5.021 -7.880 7.416 291 3HZ LYS 41 3HZ LYS 41 4.060 -7.487 6.080 292 H ARG 42 H ARG 42 1.052 -7.762 5.420 293 HA ARG 42 HA ARG 42 2.056 -10.413 5.725 294 1HB ARG 42 2HB ARG 42 1.506 -8.895 7.623 295 2HB ARG 42 1HB ARG 42 -0.196 -9.075 7.225 296 1HG ARG 42 2HG ARG 42 0.016 -11.509 7.619 297 2HG ARG 42 1HG ARG 42 1.679 -11.240 8.147 298 1HD ARG 42 2HD ARG 42 0.199 -11.371 10.066 299 2HD ARG 42 1HD ARG 42 0.854 -9.741 9.910 300 HE ARG 42 HE ARG 42 -1.694 -10.064 8.611 301 1HH1 ARG 42 1HH1 ARG 42 -0.125 -9.435 11.685 302 2HH1 ARG 42 2HH1 ARG 42 -1.496 -8.615 12.368 303 1HH2 ARG 42 1HH2 ARG 42 -3.485 -8.975 9.484 304 2HH2 ARG 42 2HH2 ARG 42 -3.408 -8.304 11.088 305 H GLU 43 H GLU 43 -1.039 -9.046 4.701 306 HA GLU 43 HA GLU 43 -2.326 -11.612 4.609 307 1HB GLU 43 2HB GLU 43 -3.267 -9.034 3.352 308 2HB GLU 43 1HB GLU 43 -4.243 -10.444 3.737 309 1HG GLU 43 2HG GLU 43 -2.950 -8.528 5.660 310 2HG GLU 43 1HG GLU 43 -4.672 -8.769 5.373 311 H GLY 44 H GLY 44 -0.590 -9.586 2.347 312 1HA GLY 44 2HA GLY 44 0.587 -10.842 0.607 313 2HA GLY 44 1HA GLY 44 -0.885 -11.772 0.380 314 H TYR 45 H TYR 45 -0.837 -8.272 0.760 315 HA TYR 45 HA TYR 45 -2.007 -8.021 -1.899 316 1HB TYR 45 2HB TYR 45 -1.623 -6.013 0.328 317 2HB TYR 45 1HB TYR 45 -2.332 -5.619 -1.234 318 HD1 TYR 45 HD1 TYR 45 -2.904 -7.042 2.033 319 HD2 TYR 45 HD2 TYR 45 -4.495 -6.692 -1.898 320 HE1 TYR 45 HE1 TYR 45 -5.118 -7.697 2.876 321 HE2 TYR 45 HE2 TYR 45 -6.712 -7.353 -1.068 322 HH TYR 45 HH TYR 45 -7.675 -8.586 0.837 323 H ILE 46 H ILE 46 0.803 -6.869 -0.086 324 HA ILE 46 HA ILE 46 2.181 -6.408 -2.614 325 HB ILE 46 HB ILE 46 3.196 -4.289 -1.579 326 1HG1 ILE 46 2HG1 ILE 46 1.392 -3.056 -0.181 327 2HG1 ILE 46 1HG1 ILE 46 0.781 -4.666 0.175 328 1HG2 ILE 46 1HG2 ILE 46 1.414 -2.878 -2.487 329 2HG2 ILE 46 2HG2 ILE 46 0.341 -4.277 -2.526 330 3HG2 ILE 46 3HG2 ILE 46 1.786 -4.245 -3.536 331 1HD1 ILE 46 1HD1 ILE 46 2.204 -3.898 1.954 332 2HD1 ILE 46 2HD1 ILE 46 3.524 -3.612 0.819 333 3HD1 ILE 46 3HD1 ILE 46 2.967 -5.256 1.126 334 H ILE 47 H ILE 47 4.479 -6.397 -2.441 335 HA ILE 47 HA ILE 47 5.551 -7.314 0.134 336 HB ILE 47 HB ILE 47 6.988 -8.962 -0.916 337 1HG1 ILE 47 2HG1 ILE 47 7.094 -7.797 -3.163 338 2HG1 ILE 47 1HG1 ILE 47 6.959 -9.548 -3.220 339 1HG2 ILE 47 1HG2 ILE 47 5.304 -10.639 -1.564 340 2HG2 ILE 47 2HG2 ILE 47 4.091 -9.362 -1.631 341 3HG2 ILE 47 3HG2 ILE 47 4.869 -9.756 -0.100 342 1HD1 ILE 47 1HD1 ILE 47 4.573 -9.333 -3.724 343 2HD1 ILE 47 2HD1 ILE 47 5.580 -8.516 -4.919 344 3HD1 ILE 47 3HD1 ILE 47 4.733 -7.576 -3.690 345 H GLY 48 H GLY 48 8.085 -7.306 -0.038 346 1HA GLY 48 2HA GLY 48 10.040 -6.265 -0.828 347 2HA GLY 48 1HA GLY 48 9.052 -5.235 -1.848 348 H VAL 49 H VAL 49 7.932 -5.438 1.342 349 HA VAL 49 HA VAL 49 8.577 -2.670 1.799 350 HB VAL 49 HB VAL 49 7.202 -4.636 3.644 351 1HG1 VAL 49 1HG1 VAL 49 8.094 -2.659 4.788 352 2HG1 VAL 49 2HG1 VAL 49 6.331 -2.654 4.764 353 3HG1 VAL 49 3HG1 VAL 49 7.231 -1.617 3.658 354 1HG2 VAL 49 1HG2 VAL 49 6.020 -2.659 1.695 355 2HG2 VAL 49 2HG2 VAL 49 5.113 -3.644 2.843 356 3HG2 VAL 49 3HG2 VAL 49 6.005 -4.416 1.531 357 H HIS 50 H HIS 50 10.374 -1.985 2.717 358 HA HIS 50 HA HIS 50 12.139 -3.883 4.037 359 1HB HIS 50 2HB HIS 50 13.001 -2.371 2.259 360 2HB HIS 50 1HB HIS 50 12.610 -0.989 3.275 361 HD1 HIS 50 HD1 HIS 50 14.972 -3.926 3.087 362 HD2 HIS 50 HD2 HIS 50 14.492 -0.366 5.191 363 HE1 HIS 50 HE1 HIS 50 17.105 -3.605 4.383 364 HE2 HIS 50 HE2 HIS 50 16.863 -1.360 5.507 365 H TYR 51 H TYR 51 12.313 -4.030 6.179 366 HA TYR 51 HA TYR 51 11.138 -1.903 7.828 367 1HB TYR 51 2HB TYR 51 11.735 -4.802 8.403 368 2HB TYR 51 1HB TYR 51 11.254 -3.660 9.652 369 HD1 TYR 51 HD1 TYR 51 10.138 -5.222 6.474 370 HD2 TYR 51 HD2 TYR 51 8.986 -3.150 10.006 371 HE1 TYR 51 HE1 TYR 51 7.776 -5.639 5.942 372 HE2 TYR 51 HE2 TYR 51 6.618 -3.562 9.485 373 HH TYR 51 HH TYR 51 5.210 -4.064 7.625 374 H SER 52 H SER 52 12.233 -1.112 9.677 375 HA SER 52 HA SER 52 15.122 -1.119 9.409 376 1HB SER 52 2HB SER 52 13.553 0.297 11.551 377 2HB SER 52 1HB SER 52 15.121 0.735 10.873 378 HG SER 52 HG SER 52 12.552 1.024 9.752 379 H ASP 53 H ASP 53 12.644 -2.081 11.640 380 HA ASP 53 HA ASP 53 13.898 -4.337 12.632 381 1HB ASP 53 2HB ASP 53 15.482 -2.787 13.734 382 2HB ASP 53 1HB ASP 53 14.133 -1.969 14.516 383 H ASP 54 H ASP 54 11.748 -1.639 13.128 384 HA ASP 54 HA ASP 54 9.688 -3.558 13.969 385 1HB ASP 54 2HB ASP 54 8.813 -2.107 15.673 386 2HB ASP 54 1HB ASP 54 10.524 -2.354 15.987 387 H ARG 55 H ARG 55 10.409 -0.366 12.588 388 HA ARG 55 HA ARG 55 7.786 -0.520 11.270 389 1HB ARG 55 2HB ARG 55 9.257 1.881 12.316 390 2HB ARG 55 1HB ARG 55 8.000 2.030 11.090 391 1HG ARG 55 2HG ARG 55 6.470 0.795 12.651 392 2HG ARG 55 1HG ARG 55 7.724 0.945 13.879 393 1HD ARG 55 2HD ARG 55 7.573 3.333 13.833 394 2HD ARG 55 1HD ARG 55 6.489 3.286 12.441 395 HE ARG 55 HE ARG 55 5.428 1.810 14.632 396 1HH1 ARG 55 1HH1 ARG 55 5.862 5.079 13.458 397 2HH1 ARG 55 2HH1 ARG 55 4.474 5.709 14.293 398 1HH2 ARG 55 1HH2 ARG 55 3.618 2.619 15.736 399 2HH2 ARG 55 2HH2 ARG 55 3.175 4.296 15.581 400 HA PRO 56 HA PRO 56 9.944 -0.615 7.525 401 1HB PRO 56 2HB PRO 56 7.933 -0.253 5.824 402 2HB PRO 56 1HB PRO 56 7.982 -1.657 6.894 403 1HG PRO 56 2HG PRO 56 6.385 0.853 7.130 404 2HG PRO 56 1HG PRO 56 5.917 -0.817 7.499 405 1HD PRO 56 2HD PRO 56 6.754 1.074 9.363 406 2HD PRO 56 1HD PRO 56 6.728 -0.681 9.618 407 H HIS 57 H HIS 57 10.654 0.506 5.717 408 HA HIS 57 HA HIS 57 9.756 3.266 5.334 409 1HB HIS 57 2HB HIS 57 12.653 2.387 5.475 410 2HB HIS 57 1HB HIS 57 12.130 3.916 4.778 411 HD1 HIS 57 HD1 HIS 57 10.756 5.510 6.564 412 HD2 HIS 57 HD2 HIS 57 13.190 2.508 8.112 413 HE1 HIS 57 HE1 HIS 57 11.129 6.108 8.981 414 HE2 HIS 57 HE2 HIS 57 12.759 4.384 9.838 415 H LEU 58 H LEU 58 9.257 3.617 3.261 416 HA LEU 58 HA LEU 58 9.751 1.431 1.404 417 1HB LEU 58 2HB LEU 58 8.103 3.942 1.074 418 2HB LEU 58 1HB LEU 58 8.155 2.594 -0.049 419 HG LEU 58 HG LEU 58 7.103 2.482 2.780 420 1HD1 LEU 58 1HD1 LEU 58 5.660 2.399 0.136 421 2HD1 LEU 58 2HD1 LEU 58 5.648 3.738 1.283 422 3HD1 LEU 58 3HD1 LEU 58 4.923 2.191 1.725 423 1HD2 LEU 58 1HD2 LEU 58 7.144 0.380 0.619 424 2HD2 LEU 58 2HD2 LEU 58 6.347 0.233 2.185 425 3HD2 LEU 58 3HD2 LEU 58 8.103 0.368 2.099 426 H TYR 59 H TYR 59 10.581 1.830 -0.734 427 HA TYR 59 HA TYR 59 12.274 4.210 -0.939 428 1HB TYR 59 2HB TYR 59 13.174 1.353 -1.381 429 2HB TYR 59 1HB TYR 59 14.107 2.768 -1.860 430 HD1 TYR 59 HD1 TYR 59 14.752 4.434 -0.019 431 HD2 TYR 59 HD2 TYR 59 13.376 0.488 0.781 432 HE1 TYR 59 HE1 TYR 59 15.725 4.559 2.234 433 HE2 TYR 59 HE2 TYR 59 14.345 0.603 3.037 434 HH TYR 59 HH TYR 59 15.402 3.516 4.430 435 H LYS 60 H LYS 60 13.416 3.898 -3.306 436 HA LYS 60 HA LYS 60 11.207 4.380 -5.050 437 1HB LYS 60 2HB LYS 60 14.193 4.313 -5.513 438 2HB LYS 60 1HB LYS 60 13.026 4.772 -6.746 439 1HG LYS 60 2HG LYS 60 12.541 6.766 -5.751 440 2HG LYS 60 1HG LYS 60 12.924 6.178 -4.132 441 1HD LYS 60 2HD LYS 60 15.014 6.610 -6.256 442 2HD LYS 60 1HD LYS 60 14.535 7.867 -5.113 443 1HE LYS 60 2HE LYS 60 15.157 6.396 -3.254 444 2HE LYS 60 1HE LYS 60 15.649 5.154 -4.404 445 1HZ LYS 60 1HZ LYS 60 17.408 6.516 -5.176 446 2HZ LYS 60 2HZ LYS 60 17.488 6.541 -3.484 447 3HZ LYS 60 3HZ LYS 60 16.843 7.868 -4.320 448 H LEU 61 H LEU 61 13.021 1.623 -4.249 449 HA LEU 61 HA LEU 61 11.498 0.098 -6.181 450 1HB LEU 61 2HB LEU 61 13.485 -1.253 -6.843 451 2HB LEU 61 1HB LEU 61 13.487 0.388 -7.450 452 HG LEU 61 HG LEU 61 15.021 0.866 -5.388 453 1HD1 LEU 61 1HD1 LEU 61 16.440 -1.032 -4.782 454 2HD1 LEU 61 2HD1 LEU 61 15.416 -2.101 -5.742 455 3HD1 LEU 61 3HD1 LEU 61 14.762 -1.303 -4.312 456 1HD2 LEU 61 1HD2 LEU 61 15.694 1.054 -7.724 457 2HD2 LEU 61 2HD2 LEU 61 15.989 -0.684 -7.782 458 3HD2 LEU 61 3HD2 LEU 61 16.976 0.344 -6.745 459 H GLY 62 H GLY 62 11.074 -2.007 -5.536 460 1HA GLY 62 2HA GLY 62 11.888 -3.777 -3.869 461 2HA GLY 62 1HA GLY 62 11.674 -2.487 -2.692 462 HA PRO 63 HA PRO 63 7.358 -3.364 -2.231 463 1HB PRO 63 2HB PRO 63 6.599 -0.634 -3.080 464 2HB PRO 63 1HB PRO 63 6.309 -1.454 -1.542 465 1HG PRO 63 2HG PRO 63 8.112 0.510 -1.744 466 2HG PRO 63 1HG PRO 63 8.392 -0.896 -0.700 467 1HD PRO 63 2HD PRO 63 9.503 -0.293 -3.412 468 2HD PRO 63 1HD PRO 63 10.308 -0.999 -1.995 469 H GLU 64 H GLU 64 6.222 -4.555 -3.582 470 HA GLU 64 HA GLU 64 5.418 -3.431 -6.164 471 1HB GLU 64 2HB GLU 64 7.412 -5.364 -5.918 472 2HB GLU 64 1HB GLU 64 5.973 -6.284 -6.335 473 1HG GLU 64 2HG GLU 64 6.929 -3.895 -7.892 474 2HG GLU 64 1HG GLU 64 7.376 -5.557 -8.268 475 H LEU 65 H LEU 65 3.483 -4.373 -7.008 476 HA LEU 65 HA LEU 65 1.742 -5.300 -4.848 477 1HB LEU 65 2HB LEU 65 1.204 -4.174 -7.587 478 2HB LEU 65 1HB LEU 65 -0.060 -4.924 -6.634 479 HG LEU 65 HG LEU 65 0.452 -3.221 -4.827 480 1HD1 LEU 65 1HD1 LEU 65 1.972 -1.903 -7.066 481 2HD1 LEU 65 2HD1 LEU 65 2.663 -2.543 -5.576 482 3HD1 LEU 65 3HD1 LEU 65 1.564 -1.166 -5.516 483 1HD2 LEU 65 1HD2 LEU 65 -1.490 -3.087 -6.313 484 2HD2 LEU 65 2HD2 LEU 65 -0.526 -2.184 -7.482 485 3HD2 LEU 65 3HD2 LEU 65 -0.867 -1.490 -5.897 486 H THR 66 H THR 66 0.610 -7.205 -4.880 487 HA THR 66 HA THR 66 1.638 -9.260 -6.663 488 HB THR 66 HB THR 66 0.406 -10.839 -5.259 489 HG1 THR 66 HG1 THR 66 -0.658 -9.806 -3.326 490 1HG2 THR 66 1HG2 THR 66 1.567 -10.487 -3.151 491 2HG2 THR 66 2HG2 THR 66 1.831 -8.792 -3.552 492 3HG2 THR 66 3HG2 THR 66 2.625 -10.052 -4.495 493 H GLU 67 H GLU 67 -0.170 -10.933 -7.319 494 HA GLU 67 HA GLU 67 -1.949 -9.818 -9.150 495 1HB GLU 67 2HB GLU 67 -1.343 -12.101 -9.396 496 2HB GLU 67 1HB GLU 67 -1.836 -12.492 -7.760 497 1HG GLU 67 2HG GLU 67 -3.892 -11.561 -9.706 498 2HG GLU 67 1HG GLU 67 -3.279 -13.210 -9.816 499 H LYS 68 H LYS 68 -2.330 -10.681 -5.769 500 HA LYS 68 HA LYS 68 -5.133 -10.427 -5.640 501 1HB LYS 68 2HB LYS 68 -3.333 -11.419 -3.940 502 2HB LYS 68 1HB LYS 68 -3.474 -9.811 -3.239 503 1HG LYS 68 2HG LYS 68 -4.987 -11.360 -2.145 504 2HG LYS 68 1HG LYS 68 -5.893 -10.120 -3.022 505 1HD LYS 68 2HD LYS 68 -6.905 -12.282 -3.432 506 2HD LYS 68 1HD LYS 68 -6.143 -11.700 -4.916 507 1HE LYS 68 2HE LYS 68 -4.097 -13.064 -4.142 508 2HE LYS 68 1HE LYS 68 -5.229 -13.865 -3.052 509 1HZ LYS 68 1HZ LYS 68 -6.600 -14.356 -5.072 510 2HZ LYS 68 2HZ LYS 68 -5.106 -15.154 -5.005 511 3HZ LYS 68 3HZ LYS 68 -5.297 -13.807 -6.015 512 H GLY 69 H GLY 69 -2.483 -8.157 -5.036 513 1HA GLY 69 2HA GLY 69 -4.024 -6.007 -4.081 514 2HA GLY 69 1HA GLY 69 -2.449 -5.871 -4.848 515 H GLU 70 H GLU 70 -2.952 -6.763 -7.382 516 HA GLU 70 HA GLU 70 -4.037 -4.469 -8.595 517 1HB GLU 70 2HB GLU 70 -3.139 -7.144 -9.586 518 2HB GLU 70 1HB GLU 70 -3.981 -6.057 -10.682 519 1HG GLU 70 2HG GLU 70 -1.576 -5.181 -9.119 520 2HG GLU 70 1HG GLU 70 -1.443 -5.992 -10.679 521 H ASN 71 H ASN 71 -5.397 -7.730 -8.179 522 HA ASN 71 HA ASN 71 -7.798 -7.092 -9.600 523 1HB ASN 71 2HB ASN 71 -6.999 -9.405 -7.847 524 2HB ASN 71 1HB ASN 71 -8.636 -9.250 -8.478 525 1HD2 ASN 71 1HD2 ASN 71 -5.335 -9.938 -9.216 526 2HD2 ASN 71 2HD2 ASN 71 -5.591 -10.456 -10.849 527 H TYR 72 H TYR 72 -6.737 -6.749 -6.328 528 HA TYR 72 HA TYR 72 -9.294 -6.543 -5.112 529 1HB TYR 72 2HB TYR 72 -7.142 -6.964 -3.898 530 2HB TYR 72 1HB TYR 72 -6.696 -5.290 -4.200 531 HD1 TYR 72 HD1 TYR 72 -9.149 -7.455 -2.471 532 HD2 TYR 72 HD2 TYR 72 -7.488 -3.551 -2.811 533 HE1 TYR 72 HE1 TYR 72 -10.304 -6.795 -0.403 534 HE2 TYR 72 HE2 TYR 72 -8.640 -2.878 -0.748 535 HH TYR 72 HH TYR 72 -10.621 -3.567 0.572 536 H LEU 73 H LEU 73 -7.049 -4.216 -6.514 537 HA LEU 73 HA LEU 73 -8.324 -1.826 -5.888 538 1HB LEU 73 2HB LEU 73 -6.835 -2.579 -8.408 539 2HB LEU 73 1HB LEU 73 -7.262 -0.940 -7.959 540 HG LEU 73 HG LEU 73 -5.494 -2.689 -6.255 541 1HD1 LEU 73 1HD1 LEU 73 -4.461 -2.411 -8.446 542 2HD1 LEU 73 2HD1 LEU 73 -3.605 -1.474 -7.222 543 3HD1 LEU 73 3HD1 LEU 73 -4.698 -0.666 -8.346 544 1HD2 LEU 73 1HD2 LEU 73 -4.808 -0.544 -5.295 545 2HD2 LEU 73 2HD2 LEU 73 -6.543 -0.807 -5.109 546 3HD2 LEU 73 3HD2 LEU 73 -5.944 0.292 -6.352 547 H LYS 74 H LYS 74 -8.975 -4.149 -8.429 548 HA LYS 74 HA LYS 74 -10.685 -2.677 -10.049 549 1HB LYS 74 2HB LYS 74 -9.771 -4.863 -10.670 550 2HB LYS 74 1HB LYS 74 -10.753 -5.638 -9.436 551 1HG LYS 74 2HG LYS 74 -12.774 -5.016 -10.612 552 2HG LYS 74 1HG LYS 74 -11.829 -4.146 -11.823 553 1HD LYS 74 2HD LYS 74 -10.714 -6.266 -12.422 554 2HD LYS 74 1HD LYS 74 -11.737 -7.111 -11.260 555 1HE LYS 74 2HE LYS 74 -12.578 -7.322 -13.557 556 2HE LYS 74 1HE LYS 74 -13.719 -6.482 -12.508 557 1HZ LYS 74 1HZ LYS 74 -13.349 -5.491 -14.781 558 2HZ LYS 74 2HZ LYS 74 -11.804 -5.029 -14.246 559 3HZ LYS 74 3HZ LYS 74 -13.190 -4.427 -13.474 560 H GLU 75 H GLU 75 -11.482 -4.717 -7.238 561 HA GLU 75 HA GLU 75 -14.277 -3.996 -7.480 562 1HB GLU 75 2HB GLU 75 -12.833 -5.747 -5.486 563 2HB GLU 75 1HB GLU 75 -14.572 -5.469 -5.484 564 1HG GLU 75 2HG GLU 75 -14.673 -6.387 -7.785 565 2HG GLU 75 1HG GLU 75 -12.957 -6.766 -7.670 566 H ASN 76 H ASN 76 -11.526 -3.151 -5.479 567 HA ASN 76 HA ASN 76 -13.092 -1.642 -3.573 568 1HB ASN 76 2HB ASN 76 -10.531 -2.634 -3.535 569 2HB ASN 76 1HB ASN 76 -10.261 -0.914 -3.808 570 1HD2 ASN 76 1HD2 ASN 76 -10.987 0.577 -2.250 571 2HD2 ASN 76 2HD2 ASN 76 -11.332 0.089 -0.628 572 H GLY 77 H GLY 77 -12.503 -1.102 -6.743 573 1HA GLY 77 2HA GLY 77 -12.315 1.695 -6.846 574 2HA GLY 77 1HA GLY 77 -13.221 0.699 -7.981 575 H THR 78 H THR 78 -14.805 -0.384 -5.644 576 HA THR 78 HA THR 78 -16.836 1.651 -5.505 577 HB THR 78 HB THR 78 -17.285 -0.860 -5.545 578 HG1 THR 78 HG1 THR 78 -19.166 -0.269 -4.816 579 1HG2 THR 78 1HG2 THR 78 -16.528 -0.635 -2.630 580 2HG2 THR 78 2HG2 THR 78 -15.652 -1.544 -3.861 581 3HG2 THR 78 3HG2 THR 78 -17.283 -2.033 -3.400 582 H TRP 79 H TRP 79 -14.080 0.725 -3.708 583 HA TRP 79 HA TRP 79 -12.925 1.844 -2.126 584 1HB TRP 79 2HB TRP 79 -13.655 3.848 -3.193 585 2HB TRP 79 1HB TRP 79 -15.203 3.782 -2.375 586 HD1 TRP 79 HD1 TRP 79 -15.333 4.752 0.080 587 HE1 TRP 79 HE1 TRP 79 -13.731 6.186 1.488 588 HE3 TRP 79 HE3 TRP 79 -11.085 4.200 -2.718 589 HZ2 TRP 79 HZ2 TRP 79 -11.028 6.978 1.422 590 HZ3 TRP 79 HZ3 TRP 79 -9.034 5.337 -1.971 591 HH2 TRP 79 HH2 TRP 79 -9.008 6.698 0.057 592 H SER 80 H SER 80 -16.204 2.565 -1.006 593 HA SER 80 HA SER 80 -15.854 0.670 1.167 594 1HB SER 80 2HB SER 80 -14.885 2.776 2.032 595 2HB SER 80 1HB SER 80 -16.414 3.596 1.720 596 HG SER 80 HG SER 80 -17.367 2.481 3.329 597 H LYS 81 H LYS 81 -17.522 -0.404 0.053 598 HA LYS 81 HA LYS 81 -20.021 -0.010 1.266 599 1HB LYS 81 2HB LYS 81 -20.032 1.793 -0.570 600 2HB LYS 81 1HB LYS 81 -20.141 0.461 -1.713 601 1HG LYS 81 2HG LYS 81 -22.241 -0.240 -0.808 602 2HG LYS 81 1HG LYS 81 -22.099 0.901 0.529 603 1HD LYS 81 2HD LYS 81 -22.347 1.637 -2.386 604 2HD LYS 81 1HD LYS 81 -23.652 1.696 -1.199 605 1HE LYS 81 2HE LYS 81 -21.097 3.299 -1.133 606 2HE LYS 81 1HE LYS 81 -22.695 3.908 -1.549 607 1HZ LYS 81 1HZ LYS 81 -21.817 2.885 1.102 608 2HZ LYS 81 2HZ LYS 81 -23.417 3.294 0.724 609 3HZ LYS 81 3HZ LYS 81 -22.209 4.487 0.700 610 H ALA 82 H ALA 82 -18.069 -2.009 0.905 611 HA ALA 82 HA ALA 82 -19.077 -3.892 -1.048 612 1HB ALA 82 1HB ALA 82 -16.668 -3.710 -0.724 613 2HB ALA 82 2HB ALA 82 -17.238 -5.329 -0.311 614 3HB ALA 82 3HB ALA 82 -16.852 -4.178 0.967 Start of MODEL 17 1 H LYS 5 H LYS 5 -10.408 1.396 4.018 2 HA LYS 5 HA LYS 5 -11.412 2.707 1.576 3 1HB LYS 5 2HB LYS 5 -10.818 4.194 4.135 4 2HB LYS 5 1HB LYS 5 -11.575 4.820 2.681 5 1HG LYS 5 2HG LYS 5 -13.535 3.380 3.130 6 2HG LYS 5 1HG LYS 5 -12.773 2.875 4.641 7 1HD LYS 5 2HD LYS 5 -12.621 5.355 5.203 8 2HD LYS 5 1HD LYS 5 -13.734 5.614 3.859 9 1HE LYS 5 2HE LYS 5 -15.006 5.497 5.881 10 2HE LYS 5 1HE LYS 5 -15.314 4.038 4.940 11 1HZ LYS 5 1HZ LYS 5 -14.968 3.591 7.314 12 2HZ LYS 5 2HZ LYS 5 -13.394 4.215 7.203 13 3HZ LYS 5 3HZ LYS 5 -13.816 2.814 6.342 14 H LEU 6 H LEU 6 -9.016 2.915 4.180 15 HA LEU 6 HA LEU 6 -7.229 4.479 2.586 16 1HB LEU 6 2HB LEU 6 -6.758 3.161 5.261 17 2HB LEU 6 1HB LEU 6 -5.721 4.358 4.513 18 HG LEU 6 HG LEU 6 -6.875 5.613 6.061 19 1HD1 LEU 6 1HD1 LEU 6 -8.608 5.805 3.605 20 2HD1 LEU 6 2HD1 LEU 6 -7.070 6.633 3.859 21 3HD1 LEU 6 3HD1 LEU 6 -8.458 7.021 4.875 22 1HD2 LEU 6 1HD2 LEU 6 -8.401 3.860 6.798 23 2HD2 LEU 6 2HD2 LEU 6 -9.403 4.124 5.371 24 3HD2 LEU 6 3HD2 LEU 6 -9.243 5.395 6.583 25 H ARG 7 H ARG 7 -7.573 1.114 3.442 26 HA ARG 7 HA ARG 7 -5.039 0.160 2.790 27 1HB ARG 7 2HB ARG 7 -7.576 -0.938 3.366 28 2HB ARG 7 1HB ARG 7 -7.057 -1.666 1.852 29 1HG ARG 7 2HG ARG 7 -6.392 -3.018 3.751 30 2HG ARG 7 1HG ARG 7 -4.982 -2.391 2.898 31 1HD ARG 7 2HD ARG 7 -4.635 -2.214 5.284 32 2HD ARG 7 1HD ARG 7 -4.791 -0.603 4.585 33 HE ARG 7 HE ARG 7 -7.281 -0.992 5.373 34 1HH1 ARG 7 1HH1 ARG 7 -4.317 -1.777 7.069 35 2HH1 ARG 7 2HH1 ARG 7 -4.989 -1.507 8.649 36 1HH2 ARG 7 1HH2 ARG 7 -8.189 -0.682 7.432 37 2HH2 ARG 7 2HH2 ARG 7 -7.201 -0.892 8.850 38 H TYR 8 H TYR 8 -7.809 0.840 0.707 39 HA TYR 8 HA TYR 8 -6.554 -0.024 -1.703 40 1HB TYR 8 2HB TYR 8 -8.938 0.022 -1.667 41 2HB TYR 8 1HB TYR 8 -8.966 1.696 -1.128 42 HD1 TYR 8 HD1 TYR 8 -9.350 3.357 -2.687 43 HD2 TYR 8 HD2 TYR 8 -7.788 -0.370 -4.012 44 HE1 TYR 8 HE1 TYR 8 -9.513 4.126 -5.017 45 HE2 TYR 8 HE2 TYR 8 -7.952 0.389 -6.344 46 HH TYR 8 HH TYR 8 -9.113 2.013 -7.685 47 H ALA 9 H ALA 9 -6.949 3.077 -0.078 48 HA ALA 9 HA ALA 9 -6.023 4.739 -2.123 49 1HB ALA 9 1HB ALA 9 -5.835 5.158 0.855 50 2HB ALA 9 2HB ALA 9 -7.210 5.576 -0.165 51 3HB ALA 9 3HB ALA 9 -5.672 6.409 -0.378 52 H ILE 10 H ILE 10 -4.269 3.115 0.497 53 HA ILE 10 HA ILE 10 -1.743 4.231 0.005 54 HB ILE 10 HB ILE 10 -2.359 1.464 1.067 55 1HG1 ILE 10 2HG1 ILE 10 -3.413 3.291 2.374 56 2HG1 ILE 10 1HG1 ILE 10 -2.166 2.448 3.286 57 1HG2 ILE 10 1HG2 ILE 10 0.145 3.135 1.240 58 2HG2 ILE 10 2HG2 ILE 10 -0.057 1.622 0.356 59 3HG2 ILE 10 3HG2 ILE 10 -0.129 1.631 2.118 60 1HD1 ILE 10 1HD1 ILE 10 -0.607 4.279 2.796 61 2HD1 ILE 10 2HD1 ILE 10 -2.038 4.822 3.672 62 3HD1 ILE 10 3HD1 ILE 10 -1.896 5.123 1.940 63 H LEU 11 H LEU 11 -3.144 1.164 -1.148 64 HA LEU 11 HA LEU 11 -0.956 0.329 -2.674 65 1HB LEU 11 2HB LEU 11 -3.897 -0.238 -2.999 66 2HB LEU 11 1HB LEU 11 -2.648 -1.046 -3.926 67 HG LEU 11 HG LEU 11 -2.952 -1.165 -0.926 68 1HD1 LEU 11 1HD1 LEU 11 -3.527 -3.201 -3.072 69 2HD1 LEU 11 2HD1 LEU 11 -4.718 -2.379 -2.062 70 3HD1 LEU 11 3HD1 LEU 11 -3.572 -3.506 -1.336 71 1HD2 LEU 11 1HD2 LEU 11 -0.625 -1.334 -1.630 72 2HD2 LEU 11 2HD2 LEU 11 -1.059 -2.597 -2.783 73 3HD2 LEU 11 3HD2 LEU 11 -1.224 -2.889 -1.052 74 H LYS 12 H LYS 12 -3.772 2.281 -3.586 75 HA LYS 12 HA LYS 12 -3.203 2.390 -6.339 76 1HB LYS 12 2HB LYS 12 -5.370 3.035 -5.179 77 2HB LYS 12 1HB LYS 12 -4.595 4.561 -4.772 78 1HG LYS 12 2HG LYS 12 -4.159 4.260 -7.500 79 2HG LYS 12 1HG LYS 12 -5.814 3.708 -7.244 80 1HD LYS 12 2HD LYS 12 -5.723 6.111 -7.733 81 2HD LYS 12 1HD LYS 12 -6.352 5.798 -6.113 82 1HE LYS 12 2HE LYS 12 -4.320 6.441 -5.093 83 2HE LYS 12 1HE LYS 12 -3.452 6.404 -6.626 84 1HZ LYS 12 1HZ LYS 12 -3.970 8.658 -5.814 85 2HZ LYS 12 2HZ LYS 12 -5.623 8.322 -5.995 86 3HZ LYS 12 3HZ LYS 12 -4.613 8.333 -7.353 87 H GLU 13 H GLU 13 -2.324 4.572 -3.672 88 HA GLU 13 HA GLU 13 -0.970 6.463 -5.287 89 1HB GLU 13 2HB GLU 13 -0.849 5.833 -2.347 90 2HB GLU 13 1HB GLU 13 0.148 7.085 -3.072 91 1HG GLU 13 2HG GLU 13 -2.861 6.998 -3.143 92 2HG GLU 13 1HG GLU 13 -1.889 7.978 -2.045 93 H ILE 14 H ILE 14 0.032 3.468 -3.761 94 HA ILE 14 HA ILE 14 2.814 3.750 -4.192 95 HB ILE 14 HB ILE 14 1.106 1.262 -4.008 96 1HG1 ILE 14 2HG1 ILE 14 2.973 2.558 -2.012 97 2HG1 ILE 14 1HG1 ILE 14 1.216 2.660 -1.973 98 1HG2 ILE 14 1HG2 ILE 14 3.149 0.785 -5.270 99 2HG2 ILE 14 2HG2 ILE 14 3.169 0.002 -3.689 100 3HG2 ILE 14 3HG2 ILE 14 4.115 1.465 -3.961 101 1HD1 ILE 14 1HD1 ILE 14 1.071 0.261 -1.622 102 2HD1 ILE 14 2HD1 ILE 14 2.075 1.021 -0.385 103 3HD1 ILE 14 3HD1 ILE 14 2.826 0.130 -1.710 104 H PHE 15 H PHE 15 0.212 2.395 -6.161 105 HA PHE 15 HA PHE 15 1.831 1.285 -8.168 106 1HB PHE 15 2HB PHE 15 -0.578 0.748 -7.732 107 2HB PHE 15 1HB PHE 15 -1.004 2.291 -8.463 108 HD1 PHE 15 HD1 PHE 15 0.659 -0.950 -9.144 109 HD2 PHE 15 HD2 PHE 15 -1.272 2.473 -10.780 110 HE1 PHE 15 HE1 PHE 15 0.640 -2.025 -11.358 111 HE2 PHE 15 HE2 PHE 15 -1.294 1.405 -12.999 112 HZ PHE 15 HZ PHE 15 -0.337 -0.848 -13.287 113 H GLU 16 H GLU 16 0.105 4.428 -8.100 114 HA GLU 16 HA GLU 16 1.334 5.126 -10.636 115 1HB GLU 16 2HB GLU 16 -0.027 7.136 -10.569 116 2HB GLU 16 1HB GLU 16 -1.012 5.716 -10.254 117 1HG GLU 16 2HG GLU 16 -1.105 6.219 -7.918 118 2HG GLU 16 1HG GLU 16 0.058 7.532 -8.108 119 H GLY 17 H GLY 17 2.014 5.549 -7.324 120 1HA GLY 17 2HA GLY 17 3.563 7.977 -7.717 121 2HA GLY 17 1HA GLY 17 3.339 7.115 -6.204 122 H ASN 18 H ASN 18 4.095 4.545 -7.477 123 HA ASN 18 HA ASN 18 5.913 3.244 -7.869 124 1HB ASN 18 2HB ASN 18 6.307 4.839 -9.761 125 2HB ASN 18 1HB ASN 18 7.332 5.789 -8.693 126 1HD2 ASN 18 1HD2 ASN 18 9.117 5.495 -10.033 127 2HD2 ASN 18 2HD2 ASN 18 9.955 3.981 -10.120 128 H THR 19 H THR 19 5.490 5.126 -5.445 129 HA THR 19 HA THR 19 6.340 5.542 -3.413 130 HB THR 19 HB THR 19 7.881 3.797 -2.436 131 HG1 THR 19 HG1 THR 19 8.116 3.101 -5.024 132 1HG2 THR 19 1HG2 THR 19 6.139 2.086 -2.371 133 2HG2 THR 19 2HG2 THR 19 5.326 2.865 -3.728 134 3HG2 THR 19 3HG2 THR 19 5.466 3.705 -2.184 135 HA PRO 20 HA PRO 20 7.713 5.163 -1.464 136 1HB PRO 20 2HB PRO 20 8.736 6.914 0.288 137 2HB PRO 20 1HB PRO 20 9.689 5.555 -0.320 138 1HG PRO 20 2HG PRO 20 9.737 8.427 -1.148 139 2HG PRO 20 1HG PRO 20 11.093 7.316 -0.885 140 1HD PRO 20 2HD PRO 20 10.070 7.929 -3.355 141 2HD PRO 20 1HD PRO 20 10.916 6.416 -2.981 142 H LEU 21 H LEU 21 5.968 6.005 -0.220 143 HA LEU 21 HA LEU 21 5.186 8.764 -0.851 144 1HB LEU 21 2HB LEU 21 2.873 8.201 -0.883 145 2HB LEU 21 1HB LEU 21 3.692 7.102 -1.972 146 HG LEU 21 HG LEU 21 3.082 6.258 0.843 147 1HD1 LEU 21 1HD1 LEU 21 0.958 5.343 0.082 148 2HD1 LEU 21 2HD1 LEU 21 1.198 6.071 -1.505 149 3HD1 LEU 21 3HD1 LEU 21 0.980 7.098 -0.088 150 1HD2 LEU 21 1HD2 LEU 21 4.567 4.856 -0.489 151 2HD2 LEU 21 2HD2 LEU 21 3.352 4.766 -1.763 152 3HD2 LEU 21 3HD2 LEU 21 3.032 4.041 -0.188 153 H SER 22 H SER 22 4.805 10.028 0.852 154 HA SER 22 HA SER 22 5.156 8.896 3.489 155 1HB SER 22 2HB SER 22 4.582 11.766 2.726 156 2HB SER 22 1HB SER 22 5.262 11.183 4.249 157 HG SER 22 HG SER 22 6.458 11.005 1.670 158 H GLU 23 H GLU 23 3.664 9.514 5.243 159 HA GLU 23 HA GLU 23 1.026 8.701 4.665 160 1HB GLU 23 2HB GLU 23 0.871 9.885 7.152 161 2HB GLU 23 1HB GLU 23 1.285 8.207 6.835 162 1HG GLU 23 2HG GLU 23 2.913 9.051 8.323 163 2HG GLU 23 1HG GLU 23 3.688 8.906 6.748 164 H ASN 24 H ASN 24 2.531 11.839 5.065 165 HA ASN 24 HA ASN 24 0.172 13.393 5.069 166 1HB ASN 24 2HB ASN 24 3.018 13.998 4.304 167 2HB ASN 24 1HB ASN 24 1.751 15.205 4.131 168 1HD2 ASN 24 1HD2 ASN 24 3.631 13.317 6.377 169 2HD2 ASN 24 2HD2 ASN 24 3.228 14.247 7.782 170 H ASP 25 H ASP 25 2.062 11.986 2.468 171 HA ASP 25 HA ASP 25 0.856 13.458 0.360 172 1HB ASP 25 2HB ASP 25 2.509 10.967 0.498 173 2HB ASP 25 1HB ASP 25 1.664 11.352 -0.998 174 H ILE 26 H ILE 26 0.192 10.290 1.785 175 HA ILE 26 HA ILE 26 -2.002 9.812 -0.011 176 HB ILE 26 HB ILE 26 -0.588 7.992 0.921 177 1HG1 ILE 26 2HG1 ILE 26 -3.051 7.739 0.121 178 2HG1 ILE 26 1HG1 ILE 26 -2.264 6.399 0.938 179 1HG2 ILE 26 1HG2 ILE 26 -1.993 8.626 3.500 180 2HG2 ILE 26 2HG2 ILE 26 -0.269 8.777 3.161 181 3HG2 ILE 26 3HG2 ILE 26 -1.025 7.183 3.203 182 1HD1 ILE 26 1HD1 ILE 26 -4.177 8.346 2.204 183 2HD1 ILE 26 2HD1 ILE 26 -3.417 6.975 3.006 184 3HD1 ILE 26 3HD1 ILE 26 -4.561 6.704 1.692 185 H GLY 27 H GLY 27 -1.569 11.175 3.181 186 1HA GLY 27 2HA GLY 27 -3.062 12.874 3.922 187 2HA GLY 27 1HA GLY 27 -4.347 12.105 3.006 188 H VAL 28 H VAL 28 -2.173 10.394 5.173 189 HA VAL 28 HA VAL 28 -4.294 10.240 7.199 190 HB VAL 28 HB VAL 28 -3.884 7.851 7.562 191 1HG1 VAL 28 1HG1 VAL 28 -4.931 6.960 5.523 192 2HG1 VAL 28 2HG1 VAL 28 -4.614 8.495 4.712 193 3HG1 VAL 28 3HG1 VAL 28 -5.708 8.437 6.094 194 1HG2 VAL 28 1HG2 VAL 28 -2.571 6.527 5.983 195 2HG2 VAL 28 2HG2 VAL 28 -1.573 7.740 6.788 196 3HG2 VAL 28 3HG2 VAL 28 -2.111 7.999 5.127 197 H THR 29 H THR 29 -3.306 9.092 9.220 198 HA THR 29 HA THR 29 -0.845 10.461 9.858 199 HB THR 29 HB THR 29 -1.181 9.429 12.115 200 HG1 THR 29 HG1 THR 29 -3.051 8.272 12.508 201 1HG2 THR 29 1HG2 THR 29 -3.145 10.789 12.702 202 2HG2 THR 29 2HG2 THR 29 -3.538 10.949 10.989 203 3HG2 THR 29 3HG2 THR 29 -2.052 11.659 11.624 204 H GLU 30 H GLU 30 1.006 9.306 10.787 205 HA GLU 30 HA GLU 30 1.734 7.176 9.062 206 1HB GLU 30 2HB GLU 30 3.829 7.094 10.524 207 2HB GLU 30 1HB GLU 30 3.512 8.562 9.617 208 1HG GLU 30 2HG GLU 30 4.232 9.298 11.697 209 2HG GLU 30 1HG GLU 30 2.478 9.461 11.767 210 H ASP 31 H ASP 31 0.311 7.228 12.213 211 HA ASP 31 HA ASP 31 0.901 4.558 12.949 212 1HB ASP 31 2HB ASP 31 -0.049 6.206 14.538 213 2HB ASP 31 1HB ASP 31 -1.563 6.181 13.637 214 H GLN 32 H GLN 32 -1.795 6.020 11.174 215 HA GLN 32 HA GLN 32 -3.102 3.574 10.570 216 1HB GLN 32 2HB GLN 32 -3.197 6.278 9.222 217 2HB GLN 32 1HB GLN 32 -4.204 4.919 8.743 218 1HG GLN 32 2HG GLN 32 -5.178 4.884 11.010 219 2HG GLN 32 1HG GLN 32 -4.217 6.307 11.413 220 1HE2 GLN 32 1HE2 GLN 32 -5.614 5.805 8.267 221 2HE2 GLN 32 2HE2 GLN 32 -6.793 7.069 8.361 222 H PHE 33 H PHE 33 -0.485 5.358 9.122 223 HA PHE 33 HA PHE 33 -0.390 4.012 6.648 224 1HB PHE 33 2HB PHE 33 0.845 6.142 7.336 225 2HB PHE 33 1HB PHE 33 2.006 5.090 8.136 226 HD1 PHE 33 HD1 PHE 33 0.578 6.060 4.888 227 HD2 PHE 33 HD2 PHE 33 3.651 3.898 6.887 228 HE1 PHE 33 HE1 PHE 33 1.782 5.814 2.758 229 HE2 PHE 33 HE2 PHE 33 4.862 3.646 4.757 230 HZ PHE 33 HZ PHE 33 3.924 4.609 2.691 231 H ASP 34 H ASP 34 1.375 3.466 9.702 232 HA ASP 34 HA ASP 34 2.650 1.082 9.070 233 1HB ASP 34 2HB ASP 34 1.619 2.268 11.612 234 2HB ASP 34 1HB ASP 34 2.132 0.585 11.628 235 H ASP 35 H ASP 35 -0.528 1.497 10.594 236 HA ASP 35 HA ASP 35 -1.375 -1.115 10.738 237 1HB ASP 35 2HB ASP 35 -2.801 0.387 11.759 238 2HB ASP 35 1HB ASP 35 -2.768 1.507 10.406 239 H ALA 36 H ALA 36 -1.787 1.088 7.968 240 HA ALA 36 HA ALA 36 -3.220 -0.711 6.363 241 1HB ALA 36 1HB ALA 36 -1.437 1.530 5.428 242 2HB ALA 36 2HB ALA 36 -3.111 1.712 5.952 243 3HB ALA 36 3HB ALA 36 -2.736 0.758 4.517 244 H VAL 37 H VAL 37 0.267 0.089 6.309 245 HA VAL 37 HA VAL 37 0.887 -1.624 4.161 246 HB VAL 37 HB VAL 37 2.732 -0.665 6.353 247 1HG1 VAL 37 1HG1 VAL 37 3.327 -1.764 3.605 248 2HG1 VAL 37 2HG1 VAL 37 3.703 -2.529 5.148 249 3HG1 VAL 37 3HG1 VAL 37 4.514 -1.033 4.684 250 1HG2 VAL 37 1HG2 VAL 37 3.344 1.101 4.759 251 2HG2 VAL 37 2HG2 VAL 37 1.639 1.184 5.207 252 3HG2 VAL 37 3HG2 VAL 37 2.109 0.513 3.645 253 H ASN 38 H ASN 38 0.905 -2.176 7.659 254 HA ASN 38 HA ASN 38 2.089 -4.727 7.625 255 1HB ASN 38 2HB ASN 38 0.285 -3.290 9.523 256 2HB ASN 38 1HB ASN 38 0.544 -5.015 9.749 257 1HD2 ASN 38 1HD2 ASN 38 1.995 -1.867 9.792 258 2HD2 ASN 38 2HD2 ASN 38 3.443 -2.325 10.629 259 H PHE 39 H PHE 39 -1.339 -3.782 7.524 260 HA PHE 39 HA PHE 39 -2.356 -6.406 7.310 261 1HB PHE 39 2HB PHE 39 -3.750 -4.514 7.988 262 2HB PHE 39 1HB PHE 39 -3.566 -3.786 6.396 263 HD1 PHE 39 HD1 PHE 39 -4.909 -6.771 8.140 264 HD2 PHE 39 HD2 PHE 39 -5.040 -4.302 4.677 265 HE1 PHE 39 HE1 PHE 39 -6.908 -7.977 7.362 266 HE2 PHE 39 HE2 PHE 39 -7.040 -5.504 3.892 267 HZ PHE 39 HZ PHE 39 -7.979 -7.343 5.236 268 H LEU 40 H LEU 40 -1.361 -4.035 4.887 269 HA LEU 40 HA LEU 40 -2.268 -5.387 2.601 270 1HB LEU 40 2HB LEU 40 0.131 -3.585 2.938 271 2HB LEU 40 1HB LEU 40 -0.520 -4.097 1.393 272 HG LEU 40 HG LEU 40 -1.996 -2.422 3.428 273 1HD1 LEU 40 1HD1 LEU 40 -1.698 -0.604 1.812 274 2HD1 LEU 40 2HD1 LEU 40 -0.688 -1.659 0.824 275 3HD1 LEU 40 3HD1 LEU 40 -0.159 -1.191 2.438 276 1HD2 LEU 40 1HD2 LEU 40 -2.718 -3.222 0.615 277 2HD2 LEU 40 2HD2 LEU 40 -3.620 -2.094 1.629 278 3HD2 LEU 40 3HD2 LEU 40 -3.493 -3.793 2.093 279 H LYS 41 H LYS 41 0.687 -5.692 4.475 280 HA LYS 41 HA LYS 41 1.977 -7.486 2.681 281 1HB LYS 41 2HB LYS 41 3.138 -6.056 4.374 282 2HB LYS 41 1HB LYS 41 2.485 -7.083 5.640 283 1HG LYS 41 2HG LYS 41 4.100 -8.319 3.461 284 2HG LYS 41 1HG LYS 41 4.918 -7.424 4.740 285 1HD LYS 41 2HD LYS 41 3.037 -9.752 5.141 286 2HD LYS 41 1HD LYS 41 4.799 -9.819 5.242 287 1HE LYS 41 2HE LYS 41 2.955 -8.227 7.025 288 2HE LYS 41 1HE LYS 41 3.831 -9.692 7.465 289 1HZ LYS 41 1HZ LYS 41 4.984 -7.775 8.302 290 2HZ LYS 41 2HZ LYS 41 5.028 -7.062 6.767 291 3HZ LYS 41 3HZ LYS 41 5.918 -8.475 7.069 292 H ARG 42 H ARG 42 -0.025 -7.894 5.570 293 HA ARG 42 HA ARG 42 0.280 -10.666 5.878 294 1HB ARG 42 2HB ARG 42 -2.131 -8.963 6.534 295 2HB ARG 42 1HB ARG 42 -1.849 -10.595 7.122 296 1HG ARG 42 2HG ARG 42 0.176 -9.807 8.275 297 2HG ARG 42 1HG ARG 42 -0.180 -8.166 7.735 298 1HD ARG 42 2HD ARG 42 -2.356 -8.300 8.903 299 2HD ARG 42 1HD ARG 42 -1.903 -9.893 9.505 300 HE ARG 42 HE ARG 42 -0.462 -7.408 10.192 301 1HH1 ARG 42 1HH1 ARG 42 -1.739 -10.554 11.034 302 2HH1 ARG 42 2HH1 ARG 42 -1.167 -10.494 12.674 303 1HH2 ARG 42 1HH2 ARG 42 0.292 -7.315 12.360 304 2HH2 ARG 42 2HH2 ARG 42 -0.016 -8.661 13.420 305 H GLU 43 H GLU 43 -2.154 -8.815 4.078 306 HA GLU 43 HA GLU 43 -3.405 -11.210 3.063 307 1HB GLU 43 2HB GLU 43 -3.920 -8.298 2.924 308 2HB GLU 43 1HB GLU 43 -4.533 -9.274 1.595 309 1HG GLU 43 2HG GLU 43 -5.099 -9.827 4.494 310 2HG GLU 43 1HG GLU 43 -6.158 -8.897 3.432 311 H GLY 44 H GLY 44 -0.586 -9.847 2.312 312 1HA GLY 44 2HA GLY 44 0.850 -10.138 0.556 313 2HA GLY 44 1HA GLY 44 -0.277 -11.342 -0.044 314 H TYR 45 H TYR 45 -0.679 -7.833 0.403 315 HA TYR 45 HA TYR 45 -1.626 -7.627 -2.342 316 1HB TYR 45 2HB TYR 45 -1.432 -5.587 -0.118 317 2HB TYR 45 1HB TYR 45 -2.034 -5.222 -1.731 318 HD1 TYR 45 HD1 TYR 45 -3.738 -7.399 -2.427 319 HD2 TYR 45 HD2 TYR 45 -3.197 -5.588 1.382 320 HE1 TYR 45 HE1 TYR 45 -5.986 -8.132 -1.770 321 HE2 TYR 45 HE2 TYR 45 -5.448 -6.319 2.053 322 HH TYR 45 HH TYR 45 -7.558 -6.990 1.026 323 H ILE 46 H ILE 46 1.089 -6.612 -0.373 324 HA ILE 46 HA ILE 46 2.565 -6.007 -2.818 325 HB ILE 46 HB ILE 46 3.676 -4.095 -1.422 326 1HG1 ILE 46 2HG1 ILE 46 1.850 -2.842 -0.140 327 2HG1 ILE 46 1HG1 ILE 46 0.969 -4.364 -0.112 328 1HG2 ILE 46 1HG2 ILE 46 2.139 -2.472 -2.431 329 2HG2 ILE 46 2HG2 ILE 46 0.999 -3.778 -2.759 330 3HG2 ILE 46 3HG2 ILE 46 2.578 -3.768 -3.546 331 1HD1 ILE 46 1HD1 ILE 46 3.680 -3.853 1.091 332 2HD1 ILE 46 2HD1 ILE 46 2.836 -5.402 1.091 333 3HD1 ILE 46 3HD1 ILE 46 2.156 -4.026 1.961 334 H ILE 47 H ILE 47 4.790 -6.295 -2.688 335 HA ILE 47 HA ILE 47 5.853 -7.337 -0.156 336 HB ILE 47 HB ILE 47 7.164 -9.043 -1.280 337 1HG1 ILE 47 2HG1 ILE 47 7.261 -7.835 -3.513 338 2HG1 ILE 47 1HG1 ILE 47 7.045 -9.576 -3.589 339 1HG2 ILE 47 1HG2 ILE 47 5.392 -10.618 -1.859 340 2HG2 ILE 47 2HG2 ILE 47 4.241 -9.285 -1.960 341 3HG2 ILE 47 3HG2 ILE 47 4.992 -9.685 -0.416 342 1HD1 ILE 47 1HD1 ILE 47 4.669 -9.263 -4.033 343 2HD1 ILE 47 2HD1 ILE 47 5.664 -8.426 -5.223 344 3HD1 ILE 47 3HD1 ILE 47 4.881 -7.514 -3.936 345 H GLY 48 H GLY 48 8.376 -7.493 -0.397 346 1HA GLY 48 2HA GLY 48 10.375 -6.514 -1.123 347 2HA GLY 48 1HA GLY 48 9.453 -5.445 -2.166 348 H VAL 49 H VAL 49 8.144 -5.541 0.906 349 HA VAL 49 HA VAL 49 9.024 -2.859 1.473 350 HB VAL 49 HB VAL 49 7.338 -4.700 3.178 351 1HG1 VAL 49 1HG1 VAL 49 8.337 -2.850 4.422 352 2HG1 VAL 49 2HG1 VAL 49 6.590 -2.660 4.279 353 3HG1 VAL 49 3HG1 VAL 49 7.668 -1.705 3.261 354 1HG2 VAL 49 1HG2 VAL 49 6.308 -4.349 1.003 355 2HG2 VAL 49 2HG2 VAL 49 6.485 -2.603 1.185 356 3HG2 VAL 49 3HG2 VAL 49 5.412 -3.498 2.262 357 H HIS 50 H HIS 50 10.725 -2.313 2.689 358 HA HIS 50 HA HIS 50 12.204 -4.460 3.999 359 1HB HIS 50 2HB HIS 50 13.261 -2.729 2.421 360 2HB HIS 50 1HB HIS 50 13.100 -1.593 3.756 361 HD1 HIS 50 HD1 HIS 50 14.860 -1.703 5.584 362 HD2 HIS 50 HD2 HIS 50 15.043 -4.911 2.949 363 HE1 HIS 50 HE1 HIS 50 16.984 -2.920 6.147 364 HE2 HIS 50 HE2 HIS 50 17.185 -4.705 4.377 365 H TYR 51 H TYR 51 11.671 -4.870 6.033 366 HA TYR 51 HA TYR 51 10.690 -2.732 7.753 367 1HB TYR 51 2HB TYR 51 10.951 -5.715 8.152 368 2HB TYR 51 1HB TYR 51 10.400 -4.618 9.412 369 HD1 TYR 51 HD1 TYR 51 8.222 -3.537 9.255 370 HD2 TYR 51 HD2 TYR 51 9.544 -6.256 6.263 371 HE1 TYR 51 HE1 TYR 51 5.918 -3.718 8.416 372 HE2 TYR 51 HE2 TYR 51 7.245 -6.445 5.411 373 HH TYR 51 HH TYR 51 4.741 -4.336 6.353 374 H SER 52 H SER 52 11.866 -1.739 9.256 375 HA SER 52 HA SER 52 14.401 -2.948 10.092 376 1HB SER 52 2HB SER 52 14.024 -0.043 9.312 377 2HB SER 52 1HB SER 52 15.503 -0.749 9.964 378 HG SER 52 HG SER 52 15.612 -2.084 8.131 379 H ASP 53 H ASP 53 14.203 -3.331 12.158 380 HA ASP 53 HA ASP 53 13.650 -3.224 14.345 381 1HB ASP 53 2HB ASP 53 13.461 -0.243 13.853 382 2HB ASP 53 1HB ASP 53 13.444 -1.011 15.437 383 H ASP 54 H ASP 54 11.658 -0.462 13.463 384 HA ASP 54 HA ASP 54 9.241 -2.049 13.418 385 1HB ASP 54 2HB ASP 54 9.521 -1.693 15.827 386 2HB ASP 54 1HB ASP 54 9.672 0.042 15.570 387 H ARG 55 H ARG 55 9.326 -1.217 11.282 388 HA ARG 55 HA ARG 55 7.694 0.938 10.718 389 1HB ARG 55 2HB ARG 55 9.622 2.277 11.672 390 2HB ARG 55 1HB ARG 55 10.593 1.716 10.322 391 1HG ARG 55 2HG ARG 55 9.809 3.922 9.845 392 2HG ARG 55 1HG ARG 55 8.976 2.791 8.775 393 1HD ARG 55 2HD ARG 55 6.986 2.907 10.058 394 2HD ARG 55 1HD ARG 55 7.801 3.758 11.370 395 HE ARG 55 HE ARG 55 7.785 5.137 8.815 396 1HH1 ARG 55 1HH1 ARG 55 6.164 4.641 11.884 397 2HH1 ARG 55 2HH1 ARG 55 5.361 6.182 11.866 398 1HH2 ARG 55 1HH2 ARG 55 6.736 7.186 8.774 399 2HH2 ARG 55 2HH2 ARG 55 5.695 7.634 10.093 400 HA PRO 56 HA PRO 56 8.365 -1.391 6.915 401 1HB PRO 56 2HB PRO 56 6.034 0.094 5.964 402 2HB PRO 56 1HB PRO 56 6.228 -1.646 6.187 403 1HG PRO 56 2HG PRO 56 4.624 -0.144 7.767 404 2HG PRO 56 1HG PRO 56 5.470 -1.587 8.355 405 1HD PRO 56 2HD PRO 56 6.169 1.305 8.716 406 2HD PRO 56 1HD PRO 56 6.267 -0.035 9.881 407 H HIS 57 H HIS 57 10.181 -0.398 6.092 408 HA HIS 57 HA HIS 57 10.099 2.378 5.293 409 1HB HIS 57 2HB HIS 57 12.260 0.281 5.219 410 2HB HIS 57 1HB HIS 57 12.467 1.857 4.467 411 HD1 HIS 57 HD1 HIS 57 13.068 3.793 5.963 412 HD2 HIS 57 HD2 HIS 57 12.046 0.350 8.068 413 HE1 HIS 57 HE1 HIS 57 13.685 4.250 8.358 414 HE2 HIS 57 HE2 HIS 57 12.919 2.219 9.638 415 H LEU 58 H LEU 58 9.052 2.870 3.523 416 HA LEU 58 HA LEU 58 9.168 1.148 1.186 417 1HB LEU 58 2HB LEU 58 7.766 3.780 1.643 418 2HB LEU 58 1HB LEU 58 7.666 2.836 0.168 419 HG LEU 58 HG LEU 58 6.673 1.981 2.889 420 1HD1 LEU 58 1HD1 LEU 58 4.466 2.118 1.855 421 2HD1 LEU 58 2HD1 LEU 58 5.198 2.731 0.371 422 3HD1 LEU 58 3HD1 LEU 58 5.280 3.683 1.854 423 1HD2 LEU 58 1HD2 LEU 58 7.521 0.083 1.607 424 2HD2 LEU 58 2HD2 LEU 58 6.529 0.564 0.231 425 3HD2 LEU 58 3HD2 LEU 58 5.762 0.037 1.729 426 H TYR 59 H TYR 59 11.033 1.230 0.154 427 HA TYR 59 HA TYR 59 12.358 3.809 -0.225 428 1HB TYR 59 2HB TYR 59 13.307 0.983 -0.771 429 2HB TYR 59 1HB TYR 59 14.255 2.434 -1.084 430 HD1 TYR 59 HD1 TYR 59 13.591 -0.108 1.245 431 HD2 TYR 59 HD2 TYR 59 14.554 4.025 0.995 432 HE1 TYR 59 HE1 TYR 59 14.447 -0.176 3.551 433 HE2 TYR 59 HE2 TYR 59 15.419 3.973 3.295 434 HH TYR 59 HH TYR 59 16.033 1.102 4.985 435 H LYS 60 H LYS 60 13.422 4.034 -2.456 436 HA LYS 60 HA LYS 60 11.421 3.984 -4.468 437 1HB LYS 60 2HB LYS 60 14.412 4.391 -4.670 438 2HB LYS 60 1HB LYS 60 13.285 4.649 -5.996 439 1HG LYS 60 2HG LYS 60 12.153 6.383 -4.665 440 2HG LYS 60 1HG LYS 60 13.341 6.144 -3.380 441 1HD LYS 60 2HD LYS 60 13.923 8.073 -4.764 442 2HD LYS 60 1HD LYS 60 15.134 6.798 -4.917 443 1HE LYS 60 2HE LYS 60 14.579 7.810 -7.085 444 2HE LYS 60 1HE LYS 60 14.174 6.095 -7.027 445 1HZ LYS 60 1HZ LYS 60 11.883 6.615 -6.773 446 2HZ LYS 60 2HZ LYS 60 12.459 7.536 -8.071 447 3HZ LYS 60 3HZ LYS 60 12.203 8.266 -6.562 448 H LEU 61 H LEU 61 13.875 1.788 -3.461 449 HA LEU 61 HA LEU 61 13.188 -0.022 -5.676 450 1HB LEU 61 2HB LEU 61 15.697 0.055 -3.988 451 2HB LEU 61 1HB LEU 61 15.362 -1.110 -5.255 452 HG LEU 61 HG LEU 61 15.688 1.863 -5.677 453 1HD1 LEU 61 1HD1 LEU 61 17.807 1.246 -6.746 454 2HD1 LEU 61 2HD1 LEU 61 17.560 -0.427 -6.249 455 3HD1 LEU 61 3HD1 LEU 61 17.784 0.830 -5.033 456 1HD2 LEU 61 1HD2 LEU 61 14.193 0.834 -7.307 457 2HD2 LEU 61 2HD2 LEU 61 15.402 -0.403 -7.649 458 3HD2 LEU 61 3HD2 LEU 61 15.726 1.281 -8.055 459 H GLY 62 H GLY 62 11.891 -1.629 -5.057 460 1HA GLY 62 2HA GLY 62 12.194 -3.576 -3.308 461 2HA GLY 62 1HA GLY 62 11.731 -2.284 -2.212 462 HA PRO 63 HA PRO 63 7.478 -2.887 -2.480 463 1HB PRO 63 2HB PRO 63 7.051 -0.307 -3.906 464 2HB PRO 63 1HB PRO 63 6.318 -0.905 -2.413 465 1HG PRO 63 2HG PRO 63 8.224 0.940 -2.319 466 2HG PRO 63 1HG PRO 63 8.189 -0.379 -1.133 467 1HD PRO 63 2HD PRO 63 9.945 -0.027 -3.524 468 2HD PRO 63 1HD PRO 63 10.336 -0.675 -1.917 469 H GLU 64 H GLU 64 6.661 -4.382 -3.718 470 HA GLU 64 HA GLU 64 6.023 -3.730 -6.521 471 1HB GLU 64 2HB GLU 64 7.093 -6.304 -5.373 472 2HB GLU 64 1HB GLU 64 6.199 -6.273 -6.885 473 1HG GLU 64 2HG GLU 64 8.670 -4.638 -6.398 474 2HG GLU 64 1HG GLU 64 8.697 -6.261 -7.084 475 H LEU 65 H LEU 65 3.976 -4.393 -7.209 476 HA LEU 65 HA LEU 65 2.164 -5.155 -5.041 477 1HB LEU 65 2HB LEU 65 1.605 -4.006 -7.778 478 2HB LEU 65 1HB LEU 65 0.353 -4.529 -6.670 479 HG LEU 65 HG LEU 65 1.431 -2.834 -5.021 480 1HD1 LEU 65 1HD1 LEU 65 3.432 -2.380 -6.339 481 2HD1 LEU 65 2HD1 LEU 65 2.480 -0.917 -6.095 482 3HD1 LEU 65 3HD1 LEU 65 2.433 -1.752 -7.647 483 1HD2 LEU 65 1HD2 LEU 65 -0.109 -1.917 -7.442 484 2HD2 LEU 65 2HD2 LEU 65 0.027 -1.046 -5.915 485 3HD2 LEU 65 3HD2 LEU 65 -0.797 -2.604 -5.969 486 H THR 66 H THR 66 0.763 -6.901 -5.195 487 HA THR 66 HA THR 66 1.689 -8.996 -7.018 488 HB THR 66 HB THR 66 0.492 -10.550 -5.573 489 HG1 THR 66 HG1 THR 66 -0.407 -9.415 -3.554 490 1HG2 THR 66 1HG2 THR 66 2.060 -8.543 -3.937 491 2HG2 THR 66 2HG2 THR 66 2.750 -9.870 -4.875 492 3HG2 THR 66 3HG2 THR 66 1.724 -10.214 -3.482 493 H GLU 67 H GLU 67 -0.120 -10.541 -7.758 494 HA GLU 67 HA GLU 67 -2.074 -9.174 -9.289 495 1HB GLU 67 2HB GLU 67 -1.146 -11.455 -9.790 496 2HB GLU 67 1HB GLU 67 -2.073 -12.081 -8.436 497 1HG GLU 67 2HG GLU 67 -3.250 -12.564 -10.446 498 2HG GLU 67 1HG GLU 67 -4.143 -11.322 -9.568 499 H LYS 68 H LYS 68 -2.089 -10.761 -6.160 500 HA LYS 68 HA LYS 68 -4.855 -10.639 -5.620 501 1HB LYS 68 2HB LYS 68 -2.739 -11.743 -4.371 502 2HB LYS 68 1HB LYS 68 -2.909 -10.300 -3.390 503 1HG LYS 68 2HG LYS 68 -5.176 -12.208 -3.890 504 2HG LYS 68 1HG LYS 68 -4.050 -12.378 -2.544 505 1HD LYS 68 2HD LYS 68 -4.691 -10.008 -1.899 506 2HD LYS 68 1HD LYS 68 -6.004 -10.150 -3.071 507 1HE LYS 68 2HE LYS 68 -6.877 -12.086 -1.891 508 2HE LYS 68 1HE LYS 68 -5.543 -12.005 -0.740 509 1HZ LYS 68 1HZ LYS 68 -6.412 -9.666 -0.261 510 2HZ LYS 68 2HZ LYS 68 -7.299 -10.966 0.345 511 3HZ LYS 68 3HZ LYS 68 -7.832 -10.154 -1.048 512 H GLY 69 H GLY 69 -2.184 -8.389 -5.056 513 1HA GLY 69 2HA GLY 69 -3.751 -6.402 -3.749 514 2HA GLY 69 1HA GLY 69 -2.159 -6.170 -4.459 515 H GLU 70 H GLU 70 -2.738 -6.862 -7.121 516 HA GLU 70 HA GLU 70 -3.777 -4.406 -8.062 517 1HB GLU 70 2HB GLU 70 -2.108 -5.856 -9.266 518 2HB GLU 70 1HB GLU 70 -3.436 -6.939 -9.675 519 1HG GLU 70 2HG GLU 70 -4.554 -5.109 -10.842 520 2HG GLU 70 1HG GLU 70 -3.205 -4.043 -10.453 521 H ASN 71 H ASN 71 -5.165 -7.654 -7.803 522 HA ASN 71 HA ASN 71 -7.613 -7.046 -9.084 523 1HB ASN 71 2HB ASN 71 -6.811 -9.174 -7.114 524 2HB ASN 71 1HB ASN 71 -8.490 -8.997 -7.614 525 1HD2 ASN 71 1HD2 ASN 71 -5.778 -8.367 -9.721 526 2HD2 ASN 71 2HD2 ASN 71 -6.027 -9.719 -10.764 527 H TYR 72 H TYR 72 -6.495 -6.713 -5.782 528 HA TYR 72 HA TYR 72 -8.943 -6.081 -4.568 529 1HB TYR 72 2HB TYR 72 -6.854 -6.631 -3.339 530 2HB TYR 72 1HB TYR 72 -6.189 -5.072 -3.817 531 HD1 TYR 72 HD1 TYR 72 -6.631 -3.139 -2.540 532 HD2 TYR 72 HD2 TYR 72 -8.945 -6.654 -1.898 533 HE1 TYR 72 HE1 TYR 72 -7.648 -2.101 -0.552 534 HE2 TYR 72 HE2 TYR 72 -9.962 -5.627 0.086 535 HH TYR 72 HH TYR 72 -9.860 -2.396 0.739 536 H LEU 73 H LEU 73 -6.602 -4.109 -6.301 537 HA LEU 73 HA LEU 73 -7.622 -1.572 -5.749 538 1HB LEU 73 2HB LEU 73 -6.361 -2.598 -8.296 539 2HB LEU 73 1HB LEU 73 -6.613 -0.907 -7.918 540 HG LEU 73 HG LEU 73 -4.834 -2.774 -6.343 541 1HD1 LEU 73 1HD1 LEU 73 -3.960 -2.342 -8.586 542 2HD1 LEU 73 2HD1 LEU 73 -2.987 -1.550 -7.348 543 3HD1 LEU 73 3HD1 LEU 73 -4.121 -0.608 -8.314 544 1HD2 LEU 73 1HD2 LEU 73 -5.762 -0.962 -4.994 545 2HD2 LEU 73 2HD2 LEU 73 -5.213 0.214 -6.191 546 3HD2 LEU 73 3HD2 LEU 73 -4.036 -0.728 -5.276 547 H LYS 74 H LYS 74 -8.508 -3.908 -8.246 548 HA LYS 74 HA LYS 74 -10.419 -2.212 -9.508 549 1HB LYS 74 2HB LYS 74 -10.018 -5.205 -9.657 550 2HB LYS 74 1HB LYS 74 -11.085 -4.281 -10.710 551 1HG LYS 74 2HG LYS 74 -8.117 -3.828 -10.482 552 2HG LYS 74 1HG LYS 74 -8.887 -4.818 -11.726 553 1HD LYS 74 2HD LYS 74 -10.069 -2.921 -12.594 554 2HD LYS 74 1HD LYS 74 -9.534 -1.914 -11.247 555 1HE LYS 74 2HE LYS 74 -7.263 -1.996 -12.005 556 2HE LYS 74 1HE LYS 74 -7.666 -3.188 -13.242 557 1HZ LYS 74 1HZ LYS 74 -7.434 -0.857 -14.061 558 2HZ LYS 74 2HZ LYS 74 -8.825 -0.458 -13.178 559 3HZ LYS 74 3HZ LYS 74 -8.915 -1.597 -14.433 560 H GLU 75 H GLU 75 -10.553 -4.585 -6.937 561 HA GLU 75 HA GLU 75 -13.415 -4.725 -6.893 562 1HB GLU 75 2HB GLU 75 -11.324 -5.587 -4.891 563 2HB GLU 75 1HB GLU 75 -13.046 -5.885 -4.697 564 1HG GLU 75 2HG GLU 75 -13.059 -7.227 -6.724 565 2HG GLU 75 1HG GLU 75 -11.347 -6.891 -6.969 566 H ASN 76 H ASN 76 -10.952 -3.023 -4.975 567 HA ASN 76 HA ASN 76 -13.007 -1.736 -3.366 568 1HB ASN 76 2HB ASN 76 -10.612 -2.566 -2.634 569 2HB ASN 76 1HB ASN 76 -10.104 -0.993 -3.232 570 1HD2 ASN 76 1HD2 ASN 76 -12.496 0.419 -2.396 571 2HD2 ASN 76 2HD2 ASN 76 -12.427 0.513 -0.666 572 H GLY 77 H GLY 77 -11.933 -1.242 -6.382 573 1HA GLY 77 2HA GLY 77 -11.412 1.536 -6.483 574 2HA GLY 77 1HA GLY 77 -11.919 0.534 -7.832 575 H THR 78 H THR 78 -14.205 0.082 -5.541 576 HA THR 78 HA THR 78 -16.019 1.991 -6.766 577 HB THR 78 HB THR 78 -16.744 -0.350 -6.478 578 HG1 THR 78 HG1 THR 78 -18.138 1.648 -5.009 579 1HG2 THR 78 1HG2 THR 78 -16.555 0.241 -3.522 580 2HG2 THR 78 2HG2 THR 78 -15.546 -0.890 -4.422 581 3HG2 THR 78 3HG2 THR 78 -17.271 -1.205 -4.229 582 H TRP 79 H TRP 79 -13.819 2.624 -4.744 583 HA TRP 79 HA TRP 79 -15.355 3.771 -2.549 584 1HB TRP 79 2HB TRP 79 -13.228 2.648 -2.035 585 2HB TRP 79 1HB TRP 79 -12.377 3.746 -3.111 586 HD1 TRP 79 HD1 TRP 79 -14.727 4.269 -0.044 587 HE1 TRP 79 HE1 TRP 79 -13.633 6.036 1.481 588 HE3 TRP 79 HE3 TRP 79 -10.511 5.200 -2.780 589 HZ2 TRP 79 HZ2 TRP 79 -11.286 7.606 1.515 590 HZ3 TRP 79 HZ3 TRP 79 -8.889 6.841 -1.932 591 HH2 TRP 79 HH2 TRP 79 -9.268 8.020 0.173 592 H SER 80 H SER 80 -15.563 5.967 -2.196 593 HA SER 80 HA SER 80 -15.681 8.184 -2.610 594 1HB SER 80 2HB SER 80 -13.579 7.636 -4.713 595 2HB SER 80 1HB SER 80 -14.153 9.244 -4.270 596 HG SER 80 HG SER 80 -12.740 7.375 -2.689 597 H LYS 81 H LYS 81 -16.732 9.674 -4.008 598 HA LYS 81 HA LYS 81 -17.921 8.574 -6.442 599 1HB LYS 81 2HB LYS 81 -19.460 9.498 -4.022 600 2HB LYS 81 1HB LYS 81 -20.171 9.511 -5.629 601 1HG LYS 81 2HG LYS 81 -19.918 7.135 -5.823 602 2HG LYS 81 1HG LYS 81 -19.029 7.065 -4.301 603 1HD LYS 81 2HD LYS 81 -20.994 7.762 -3.081 604 2HD LYS 81 1HD LYS 81 -21.885 7.985 -4.588 605 1HE LYS 81 2HE LYS 81 -22.420 5.859 -3.417 606 2HE LYS 81 1HE LYS 81 -21.805 5.632 -5.054 607 1HZ LYS 81 1HZ LYS 81 -20.862 4.114 -3.312 608 2HZ LYS 81 2HZ LYS 81 -20.075 5.463 -2.651 609 3HZ LYS 81 3HZ LYS 81 -19.714 4.963 -4.233 610 H ALA 82 H ALA 82 -19.547 10.408 -7.261 611 HA ALA 82 HA ALA 82 -19.809 12.430 -8.225 612 1HB ALA 82 1HB ALA 82 -19.905 13.289 -5.931 613 2HB ALA 82 2HB ALA 82 -19.152 14.443 -7.034 614 3HB ALA 82 3HB ALA 82 -18.152 13.489 -5.939 Start of MODEL 18 1 H LYS 5 H LYS 5 -10.590 1.797 6.075 2 HA LYS 5 HA LYS 5 -12.546 1.938 3.881 3 1HB LYS 5 2HB LYS 5 -12.097 4.031 6.021 4 2HB LYS 5 1HB LYS 5 -13.211 4.167 4.668 5 1HG LYS 5 2HG LYS 5 -14.573 2.389 5.540 6 2HG LYS 5 1HG LYS 5 -13.403 2.075 6.824 7 1HD LYS 5 2HD LYS 5 -13.794 4.374 7.674 8 2HD LYS 5 1HD LYS 5 -15.053 4.573 6.454 9 1HE LYS 5 2HE LYS 5 -15.053 2.417 8.561 10 2HE LYS 5 1HE LYS 5 -15.901 3.955 8.718 11 1HZ LYS 5 1HZ LYS 5 -16.405 1.851 6.682 12 2HZ LYS 5 2HZ LYS 5 -17.156 3.374 6.698 13 3HZ LYS 5 3HZ LYS 5 -17.420 2.285 7.971 14 H LEU 6 H LEU 6 -9.606 3.182 5.352 15 HA LEU 6 HA LEU 6 -9.034 4.782 2.969 16 1HB LEU 6 2HB LEU 6 -7.851 4.780 5.736 17 2HB LEU 6 1HB LEU 6 -7.096 5.628 4.404 18 HG LEU 6 HG LEU 6 -8.319 7.231 5.646 19 1HD1 LEU 6 1HD1 LEU 6 -9.912 8.074 4.024 20 2HD1 LEU 6 2HD1 LEU 6 -9.965 6.499 3.233 21 3HD1 LEU 6 3HD1 LEU 6 -8.475 7.444 3.215 22 1HD2 LEU 6 1HD2 LEU 6 -10.702 7.032 6.144 23 2HD2 LEU 6 2HD2 LEU 6 -9.779 5.722 6.882 24 3HD2 LEU 6 3HD2 LEU 6 -10.722 5.424 5.422 25 H ARG 7 H ARG 7 -8.052 1.914 4.611 26 HA ARG 7 HA ARG 7 -5.316 1.851 3.807 27 1HB ARG 7 2HB ARG 7 -7.048 -0.515 4.541 28 2HB ARG 7 1HB ARG 7 -5.307 -0.367 4.726 29 1HG ARG 7 2HG ARG 7 -6.594 1.758 6.138 30 2HG ARG 7 1HG ARG 7 -7.313 0.219 6.608 31 1HD ARG 7 2HD ARG 7 -4.351 0.393 6.465 32 2HD ARG 7 1HD ARG 7 -5.163 1.201 7.806 33 HE ARG 7 HE ARG 7 -5.332 -1.686 7.227 34 1HH1 ARG 7 1HH1 ARG 7 -5.511 1.022 9.422 35 2HH1 ARG 7 2HH1 ARG 7 -5.669 0.046 10.852 36 1HH2 ARG 7 1HH2 ARG 7 -5.542 -3.004 9.121 37 2HH2 ARG 7 2HH2 ARG 7 -5.694 -2.241 10.672 38 H TYR 8 H TYR 8 -8.306 0.525 2.591 39 HA TYR 8 HA TYR 8 -7.470 -0.992 0.436 40 1HB TYR 8 2HB TYR 8 -9.771 -0.888 1.222 41 2HB TYR 8 1HB TYR 8 -9.890 0.799 0.743 42 HD1 TYR 8 HD1 TYR 8 -11.618 0.771 -0.785 43 HD2 TYR 8 HD2 TYR 8 -8.444 -2.020 -1.203 44 HE1 TYR 8 HE1 TYR 8 -12.522 0.083 -2.957 45 HE2 TYR 8 HE2 TYR 8 -9.336 -2.719 -3.382 46 HH TYR 8 HH TYR 8 -11.280 -2.694 -4.653 47 H ALA 9 H ALA 9 -8.111 2.488 0.570 48 HA ALA 9 HA ALA 9 -7.546 2.858 -2.220 49 1HB ALA 9 1HB ALA 9 -7.973 5.215 -1.789 50 2HB ALA 9 2HB ALA 9 -8.001 4.903 -0.052 51 3HB ALA 9 3HB ALA 9 -9.242 4.201 -1.096 52 H ILE 10 H ILE 10 -5.690 2.867 0.677 53 HA ILE 10 HA ILE 10 -3.563 4.543 -0.027 54 HB ILE 10 HB ILE 10 -3.553 2.010 1.623 55 1HG1 ILE 10 2HG1 ILE 10 -3.512 4.937 2.390 56 2HG1 ILE 10 1HG1 ILE 10 -4.899 3.864 2.519 57 1HG2 ILE 10 1HG2 ILE 10 -1.313 2.406 0.755 58 2HG2 ILE 10 2HG2 ILE 10 -1.381 2.735 2.488 59 3HG2 ILE 10 3HG2 ILE 10 -1.371 4.070 1.336 60 1HD1 ILE 10 1HD1 ILE 10 -3.712 2.522 4.169 61 2HD1 ILE 10 2HD1 ILE 10 -3.836 4.208 4.674 62 3HD1 ILE 10 3HD1 ILE 10 -2.314 3.588 4.033 63 H LEU 11 H LEU 11 -4.234 1.188 -0.869 64 HA LEU 11 HA LEU 11 -1.790 0.596 -2.121 65 1HB LEU 11 2HB LEU 11 -4.564 -0.506 -2.397 66 2HB LEU 11 1HB LEU 11 -3.257 -1.094 -3.403 67 HG LEU 11 HG LEU 11 -3.229 -1.169 -0.389 68 1HD1 LEU 11 1HD1 LEU 11 -5.005 -2.587 -1.256 69 2HD1 LEU 11 2HD1 LEU 11 -3.672 -3.570 -0.651 70 3HD1 LEU 11 3HD1 LEU 11 -3.879 -3.334 -2.386 71 1HD2 LEU 11 1HD2 LEU 11 -1.362 -2.699 -0.707 72 2HD2 LEU 11 2HD2 LEU 11 -1.020 -1.134 -1.445 73 3HD2 LEU 11 3HD2 LEU 11 -1.485 -2.503 -2.454 74 H LYS 12 H LYS 12 -4.629 2.301 -3.253 75 HA LYS 12 HA LYS 12 -4.126 2.174 -6.023 76 1HB LYS 12 2HB LYS 12 -6.239 2.968 -4.793 77 2HB LYS 12 1HB LYS 12 -5.422 4.511 -4.622 78 1HG LYS 12 2HG LYS 12 -5.825 3.233 -7.305 79 2HG LYS 12 1HG LYS 12 -7.070 4.227 -6.551 80 1HD LYS 12 2HD LYS 12 -4.250 5.122 -7.151 81 2HD LYS 12 1HD LYS 12 -5.668 5.497 -8.130 82 1HE LYS 12 2HE LYS 12 -6.663 6.704 -6.276 83 2HE LYS 12 1HE LYS 12 -5.310 6.265 -5.235 84 1HZ LYS 12 1HZ LYS 12 -4.255 8.064 -5.932 85 2HZ LYS 12 2HZ LYS 12 -5.526 8.444 -6.995 86 3HZ LYS 12 3HZ LYS 12 -4.255 7.458 -7.520 87 H GLU 13 H GLU 13 -3.142 4.496 -3.540 88 HA GLU 13 HA GLU 13 -1.763 6.282 -5.234 89 1HB GLU 13 2HB GLU 13 -1.346 5.639 -2.308 90 2HB GLU 13 1HB GLU 13 -0.614 7.001 -3.143 91 1HG GLU 13 2HG GLU 13 -3.583 6.602 -3.001 92 2HG GLU 13 1HG GLU 13 -2.676 7.478 -1.769 93 H ILE 14 H ILE 14 -0.733 3.437 -3.422 94 HA ILE 14 HA ILE 14 2.019 3.594 -4.055 95 HB ILE 14 HB ILE 14 0.369 1.157 -3.351 96 1HG1 ILE 14 2HG1 ILE 14 2.052 2.941 -1.578 97 2HG1 ILE 14 1HG1 ILE 14 0.295 2.997 -1.674 98 1HG2 ILE 14 1HG2 ILE 14 2.494 0.160 -2.652 99 2HG2 ILE 14 2HG2 ILE 14 3.354 1.585 -3.233 100 3HG2 ILE 14 3HG2 ILE 14 2.495 0.546 -4.372 101 1HD1 ILE 14 1HD1 ILE 14 1.017 1.764 0.277 102 2HD1 ILE 14 2HD1 ILE 14 1.948 0.663 -0.737 103 3HD1 ILE 14 3HD1 ILE 14 0.188 0.694 -0.851 104 H PHE 15 H PHE 15 -0.747 2.273 -5.740 105 HA PHE 15 HA PHE 15 0.690 0.610 -7.523 106 1HB PHE 15 2HB PHE 15 -1.734 0.369 -7.054 107 2HB PHE 15 1HB PHE 15 -2.030 1.875 -7.918 108 HD1 PHE 15 HD1 PHE 15 -2.412 1.853 -10.213 109 HD2 PHE 15 HD2 PHE 15 -0.616 -1.529 -8.349 110 HE1 PHE 15 HE1 PHE 15 -2.604 0.595 -12.319 111 HE2 PHE 15 HE2 PHE 15 -0.806 -2.789 -10.450 112 HZ PHE 15 HZ PHE 15 -1.801 -1.732 -12.438 113 H GLU 16 H GLU 16 -0.622 3.911 -7.903 114 HA GLU 16 HA GLU 16 0.525 4.042 -10.572 115 1HB GLU 16 2HB GLU 16 -0.611 6.185 -10.782 116 2HB GLU 16 1HB GLU 16 -1.718 4.943 -10.220 117 1HG GLU 16 2HG GLU 16 -1.683 5.801 -8.002 118 2HG GLU 16 1HG GLU 16 -0.359 6.899 -8.388 119 H GLY 17 H GLY 17 1.203 5.273 -7.376 120 1HA GLY 17 2HA GLY 17 3.196 7.151 -8.364 121 2HA GLY 17 1HA GLY 17 2.801 6.832 -6.681 122 H ASN 18 H ASN 18 3.016 3.887 -7.569 123 HA ASN 18 HA ASN 18 4.499 2.193 -7.517 124 1HB ASN 18 2HB ASN 18 5.687 3.358 -9.363 125 2HB ASN 18 1HB ASN 18 6.618 4.257 -8.170 126 1HD2 ASN 18 1HD2 ASN 18 5.697 0.849 -7.999 127 2HD2 ASN 18 2HD2 ASN 18 7.316 0.233 -8.075 128 H THR 19 H THR 19 6.751 4.652 -6.435 129 HA THR 19 HA THR 19 6.258 4.785 -3.744 130 HB THR 19 HB THR 19 8.479 3.307 -3.179 131 HG1 THR 19 HG1 THR 19 6.965 1.720 -4.995 132 1HG2 THR 19 1HG2 THR 19 5.591 2.436 -3.097 133 2HG2 THR 19 2HG2 THR 19 6.482 3.295 -1.838 134 3HG2 THR 19 3HG2 THR 19 6.900 1.627 -2.231 135 HA PRO 20 HA PRO 20 7.641 4.934 -1.878 136 1HB PRO 20 2HB PRO 20 8.623 6.827 -0.289 137 2HB PRO 20 1HB PRO 20 9.682 5.581 -0.965 138 1HG PRO 20 2HG PRO 20 9.304 8.417 -1.822 139 2HG PRO 20 1HG PRO 20 10.800 7.476 -1.697 140 1HD PRO 20 2HD PRO 20 9.373 7.913 -4.041 141 2HD PRO 20 1HD PRO 20 10.549 6.611 -3.786 142 H LEU 21 H LEU 21 6.470 6.263 -0.061 143 HA LEU 21 HA LEU 21 5.374 8.801 -0.807 144 1HB LEU 21 2HB LEU 21 3.074 8.273 -0.844 145 2HB LEU 21 1HB LEU 21 3.839 7.129 -1.925 146 HG LEU 21 HG LEU 21 3.086 6.447 0.917 147 1HD1 LEU 21 1HD1 LEU 21 1.092 7.110 -0.332 148 2HD1 LEU 21 2HD1 LEU 21 1.102 5.379 -0.001 149 3HD1 LEU 21 3HD1 LEU 21 1.513 5.971 -1.611 150 1HD2 LEU 21 1HD2 LEU 21 4.767 4.992 -0.123 151 2HD2 LEU 21 2HD2 LEU 21 3.675 4.706 -1.476 152 3HD2 LEU 21 3HD2 LEU 21 3.241 4.148 0.140 153 H SER 22 H SER 22 5.210 9.995 0.981 154 HA SER 22 HA SER 22 5.628 8.710 3.545 155 1HB SER 22 2HB SER 22 5.347 11.650 2.865 156 2HB SER 22 1HB SER 22 5.908 10.986 4.402 157 HG SER 22 HG SER 22 7.206 11.128 1.929 158 H GLU 23 H GLU 23 4.301 9.663 5.433 159 HA GLU 23 HA GLU 23 1.632 8.848 5.059 160 1HB GLU 23 2HB GLU 23 1.247 9.572 7.364 161 2HB GLU 23 1HB GLU 23 2.729 8.646 7.228 162 1HG GLU 23 2HG GLU 23 2.687 11.648 7.279 163 2HG GLU 23 1HG GLU 23 2.779 10.666 8.733 164 H ASN 24 H ASN 24 3.170 11.997 5.047 165 HA ASN 24 HA ASN 24 0.754 13.500 5.046 166 1HB ASN 24 2HB ASN 24 2.106 15.409 4.461 167 2HB ASN 24 1HB ASN 24 2.984 14.453 5.645 168 1HD2 ASN 24 1HD2 ASN 24 2.864 15.547 2.356 169 2HD2 ASN 24 2HD2 ASN 24 4.457 15.033 1.917 170 H ASP 25 H ASP 25 2.416 11.705 2.635 171 HA ASP 25 HA ASP 25 1.234 13.133 0.406 172 1HB ASP 25 2HB ASP 25 2.866 10.583 0.494 173 2HB ASP 25 1HB ASP 25 2.294 11.346 -0.983 174 H ILE 26 H ILE 26 0.862 10.010 2.029 175 HA ILE 26 HA ILE 26 -1.163 9.077 0.263 176 HB ILE 26 HB ILE 26 0.129 7.455 1.466 177 1HG1 ILE 26 2HG1 ILE 26 -1.619 6.049 2.430 178 2HG1 ILE 26 1HG1 ILE 26 -2.692 7.440 2.558 179 1HG2 ILE 26 1HG2 ILE 26 0.671 8.756 3.444 180 2HG2 ILE 26 2HG2 ILE 26 0.016 7.180 3.887 181 3HG2 ILE 26 3HG2 ILE 26 -0.996 8.620 4.004 182 1HD1 ILE 26 1HD1 ILE 26 -1.658 6.220 0.009 183 2HD1 ILE 26 2HD1 ILE 26 -2.704 7.635 0.118 184 3HD1 ILE 26 3HD1 ILE 26 -3.286 6.063 0.667 185 H GLY 27 H GLY 27 -1.233 10.745 3.390 186 1HA GLY 27 2HA GLY 27 -3.043 12.419 3.551 187 2HA GLY 27 1HA GLY 27 -4.120 11.186 2.916 188 H VAL 28 H VAL 28 -2.573 9.217 4.670 189 HA VAL 28 HA VAL 28 -4.111 9.762 7.113 190 HB VAL 28 HB VAL 28 -3.904 7.354 7.599 191 1HG1 VAL 28 1HG1 VAL 28 -4.997 7.964 4.856 192 2HG1 VAL 28 2HG1 VAL 28 -5.857 8.128 6.386 193 3HG1 VAL 28 3HG1 VAL 28 -5.380 6.530 5.811 194 1HG2 VAL 28 1HG2 VAL 28 -1.804 6.860 6.519 195 2HG2 VAL 28 2HG2 VAL 28 -2.491 7.235 4.938 196 3HG2 VAL 28 3HG2 VAL 28 -3.064 5.830 5.837 197 H THR 29 H THR 29 -3.079 9.105 9.179 198 HA THR 29 HA THR 29 -0.462 10.214 9.328 199 HB THR 29 HB THR 29 -1.915 10.558 11.199 200 HG1 THR 29 HG1 THR 29 -0.543 9.607 12.907 201 1HG2 THR 29 1HG2 THR 29 -2.659 8.746 12.668 202 2HG2 THR 29 2HG2 THR 29 -1.925 7.567 11.580 203 3HG2 THR 29 3HG2 THR 29 -3.289 8.542 11.034 204 H GLU 30 H GLU 30 1.258 9.089 10.582 205 HA GLU 30 HA GLU 30 2.240 6.981 8.999 206 1HB GLU 30 2HB GLU 30 4.023 6.840 10.801 207 2HB GLU 30 1HB GLU 30 3.834 8.399 10.008 208 1HG GLU 30 2HG GLU 30 2.601 9.258 11.881 209 2HG GLU 30 1HG GLU 30 2.623 7.679 12.666 210 H ASP 31 H ASP 31 0.476 7.030 11.996 211 HA ASP 31 HA ASP 31 0.964 4.375 12.820 212 1HB ASP 31 2HB ASP 31 -1.459 6.119 13.312 213 2HB ASP 31 1HB ASP 31 -1.077 4.637 14.181 214 H GLN 32 H GLN 32 -1.538 5.819 10.789 215 HA GLN 32 HA GLN 32 -2.950 3.377 10.368 216 1HB GLN 32 2HB GLN 32 -2.984 5.911 8.715 217 2HB GLN 32 1HB GLN 32 -4.163 4.610 8.633 218 1HG GLN 32 2HG GLN 32 -4.825 5.062 10.938 219 2HG GLN 32 1HG GLN 32 -3.644 6.367 11.017 220 1HE2 GLN 32 1HE2 GLN 32 -6.698 5.339 9.768 221 2HE2 GLN 32 2HE2 GLN 32 -7.237 6.888 9.221 222 H PHE 33 H PHE 33 -0.353 5.085 8.767 223 HA PHE 33 HA PHE 33 -0.198 3.514 6.427 224 1HB PHE 33 2HB PHE 33 0.956 5.700 6.759 225 2HB PHE 33 1HB PHE 33 2.050 4.921 7.894 226 HD1 PHE 33 HD1 PHE 33 3.904 3.644 7.138 227 HD2 PHE 33 HD2 PHE 33 1.016 5.090 4.365 228 HE1 PHE 33 HE1 PHE 33 5.409 3.071 5.276 229 HE2 PHE 33 HE2 PHE 33 2.514 4.515 2.498 230 HZ PHE 33 HZ PHE 33 4.713 3.504 2.954 231 H ASP 34 H ASP 34 1.448 3.288 9.562 232 HA ASP 34 HA ASP 34 2.937 0.976 9.143 233 1HB ASP 34 2HB ASP 34 3.271 2.343 11.109 234 2HB ASP 34 1HB ASP 34 1.630 2.036 11.658 235 H ASP 35 H ASP 35 -0.316 1.266 10.575 236 HA ASP 35 HA ASP 35 -0.852 -1.470 10.813 237 1HB ASP 35 2HB ASP 35 -2.584 0.960 10.595 238 2HB ASP 35 1HB ASP 35 -3.327 -0.634 10.504 239 H ALA 36 H ALA 36 -1.269 0.709 8.082 240 HA ALA 36 HA ALA 36 -2.766 -1.058 6.465 241 1HB ALA 36 1HB ALA 36 -2.181 0.398 4.611 242 2HB ALA 36 2HB ALA 36 -0.930 1.168 5.586 243 3HB ALA 36 3HB ALA 36 -2.628 1.355 6.023 244 H VAL 37 H VAL 37 0.695 -0.201 6.325 245 HA VAL 37 HA VAL 37 1.350 -1.996 4.286 246 HB VAL 37 HB VAL 37 3.153 -0.927 6.466 247 1HG1 VAL 37 1HG1 VAL 37 4.983 -1.390 4.918 248 2HG1 VAL 37 2HG1 VAL 37 3.844 -2.110 3.779 249 3HG1 VAL 37 3HG1 VAL 37 4.123 -2.869 5.348 250 1HG2 VAL 37 1HG2 VAL 37 3.786 0.754 4.785 251 2HG2 VAL 37 2HG2 VAL 37 2.078 0.851 5.210 252 3HG2 VAL 37 3HG2 VAL 37 2.566 0.102 3.691 253 H ASN 38 H ASN 38 1.484 -2.408 7.817 254 HA ASN 38 HA ASN 38 2.657 -4.967 7.806 255 1HB ASN 38 2HB ASN 38 0.870 -3.587 9.807 256 2HB ASN 38 1HB ASN 38 1.548 -5.189 10.088 257 1HD2 ASN 38 1HD2 ASN 38 1.971 -2.612 11.455 258 2HD2 ASN 38 2HD2 ASN 38 3.679 -2.337 11.409 259 H PHE 39 H PHE 39 -0.739 -3.956 7.725 260 HA PHE 39 HA PHE 39 -1.804 -6.589 7.833 261 1HB PHE 39 2HB PHE 39 -3.153 -4.641 8.437 262 2HB PHE 39 1HB PHE 39 -3.028 -4.024 6.794 263 HD1 PHE 39 HD1 PHE 39 -4.599 -4.612 5.188 264 HD2 PHE 39 HD2 PHE 39 -4.320 -6.880 8.777 265 HE1 PHE 39 HE1 PHE 39 -6.645 -5.833 4.569 266 HE2 PHE 39 HE2 PHE 39 -6.360 -8.108 8.164 267 HZ PHE 39 HZ PHE 39 -7.527 -7.583 6.057 268 H LEU 40 H LEU 40 -1.137 -4.350 5.168 269 HA LEU 40 HA LEU 40 -2.114 -5.993 3.094 270 1HB LEU 40 2HB LEU 40 0.092 -3.934 2.957 271 2HB LEU 40 1HB LEU 40 -0.818 -4.565 1.598 272 HG LEU 40 HG LEU 40 -1.982 -2.924 3.851 273 1HD1 LEU 40 1HD1 LEU 40 -2.202 -1.179 2.103 274 2HD1 LEU 40 2HD1 LEU 40 -1.224 -2.185 1.033 275 3HD1 LEU 40 3HD1 LEU 40 -0.532 -1.552 2.528 276 1HD2 LEU 40 1HD2 LEU 40 -3.960 -2.787 2.395 277 2HD2 LEU 40 2HD2 LEU 40 -3.616 -4.441 2.901 278 3HD2 LEU 40 3HD2 LEU 40 -3.194 -3.912 1.275 279 H LYS 41 H LYS 41 1.034 -5.721 4.636 280 HA LYS 41 HA LYS 41 2.440 -7.509 2.967 281 1HB LYS 41 2HB LYS 41 3.498 -5.926 4.561 282 2HB LYS 41 1HB LYS 41 2.874 -6.875 5.898 283 1HG LYS 41 2HG LYS 41 4.627 -8.174 3.868 284 2HG LYS 41 1HG LYS 41 5.340 -7.146 5.110 285 1HD LYS 41 2HD LYS 41 3.582 -9.552 5.607 286 2HD LYS 41 1HD LYS 41 5.337 -9.510 5.778 287 1HE LYS 41 2HE LYS 41 3.409 -7.800 7.352 288 2HE LYS 41 1HE LYS 41 4.117 -9.305 7.933 289 1HZ LYS 41 1HZ LYS 41 5.619 -6.852 7.192 290 2HZ LYS 41 2HZ LYS 41 6.316 -8.303 7.709 291 3HZ LYS 41 3HZ LYS 41 5.337 -7.409 8.767 292 H ARG 42 H ARG 42 0.652 -7.970 5.994 293 HA ARG 42 HA ARG 42 1.143 -10.708 6.331 294 1HB ARG 42 2HB ARG 42 0.164 -9.243 8.066 295 2HB ARG 42 1HB ARG 42 -1.322 -9.143 7.127 296 1HG ARG 42 2HG ARG 42 -1.391 -11.691 7.310 297 2HG ARG 42 1HG ARG 42 -0.165 -11.508 8.564 298 1HD ARG 42 2HD ARG 42 -2.924 -10.295 8.562 299 2HD ARG 42 1HD ARG 42 -2.375 -11.644 9.552 300 HE ARG 42 HE ARG 42 -1.733 -8.822 9.918 301 1HH1 ARG 42 1HH1 ARG 42 -1.159 -12.134 10.876 302 2HH1 ARG 42 2HH1 ARG 42 -0.610 -11.717 12.471 303 1HH2 ARG 42 1HH2 ARG 42 -1.045 -8.260 12.031 304 2HH2 ARG 42 2HH2 ARG 42 -0.564 -9.514 13.136 305 H GLU 43 H GLU 43 -1.380 -9.005 4.540 306 HA GLU 43 HA GLU 43 -2.677 -11.521 3.879 307 1HB GLU 43 2HB GLU 43 -3.890 -9.407 4.602 308 2HB GLU 43 1HB GLU 43 -3.506 -8.758 3.015 309 1HG GLU 43 2HG GLU 43 -5.798 -9.803 3.340 310 2HG GLU 43 1HG GLU 43 -4.873 -10.294 1.921 311 H GLY 44 H GLY 44 -0.042 -10.237 2.723 312 1HA GLY 44 2HA GLY 44 1.143 -10.645 0.811 313 2HA GLY 44 1HA GLY 44 -0.118 -11.787 0.386 314 H TYR 45 H TYR 45 -0.537 -8.302 0.834 315 HA TYR 45 HA TYR 45 -1.507 -8.130 -1.905 316 1HB TYR 45 2HB TYR 45 -1.451 -6.138 0.360 317 2HB TYR 45 1HB TYR 45 -1.981 -5.722 -1.266 318 HD1 TYR 45 HD1 TYR 45 -3.671 -7.766 -2.180 319 HD2 TYR 45 HD2 TYR 45 -3.228 -6.370 1.815 320 HE1 TYR 45 HE1 TYR 45 -5.945 -8.544 -1.664 321 HE2 TYR 45 HE2 TYR 45 -5.500 -7.148 2.341 322 HH TYR 45 HH TYR 45 -7.601 -7.648 1.151 323 H ILE 46 H ILE 46 1.272 -7.253 -0.018 324 HA ILE 46 HA ILE 46 2.628 -6.451 -2.463 325 HB ILE 46 HB ILE 46 3.759 -4.584 -1.028 326 1HG1 ILE 46 2HG1 ILE 46 1.940 -3.427 0.376 327 2HG1 ILE 46 1HG1 ILE 46 1.131 -4.989 0.393 328 1HG2 ILE 46 1HG2 ILE 46 2.146 -2.949 -1.886 329 2HG2 ILE 46 2HG2 ILE 46 1.023 -4.265 -2.234 330 3HG2 ILE 46 3HG2 ILE 46 2.569 -4.177 -3.078 331 1HD1 ILE 46 1HD1 ILE 46 3.074 -5.984 1.469 332 2HD1 ILE 46 2HD1 ILE 46 2.420 -4.642 2.410 333 3HD1 ILE 46 3HD1 ILE 46 3.884 -4.416 1.450 334 H ILE 47 H ILE 47 4.873 -6.739 -2.406 335 HA ILE 47 HA ILE 47 5.966 -7.996 0.018 336 HB ILE 47 HB ILE 47 7.226 -9.626 -1.277 337 1HG1 ILE 47 2HG1 ILE 47 7.283 -8.255 -3.410 338 2HG1 ILE 47 1HG1 ILE 47 7.015 -9.979 -3.615 339 1HG2 ILE 47 1HG2 ILE 47 5.097 -10.329 -0.395 340 2HG2 ILE 47 2HG2 ILE 47 5.389 -11.109 -1.949 341 3HG2 ILE 47 3HG2 ILE 47 4.272 -9.749 -1.842 342 1HD1 ILE 47 1HD1 ILE 47 4.627 -9.561 -3.943 343 2HD1 ILE 47 2HD1 ILE 47 5.617 -8.689 -5.113 344 3HD1 ILE 47 3HD1 ILE 47 4.909 -7.831 -3.745 345 H GLY 48 H GLY 48 8.223 -7.713 0.306 346 1HA GLY 48 2HA GLY 48 10.326 -6.787 -0.241 347 2HA GLY 48 1HA GLY 48 9.573 -5.912 -1.569 348 H VAL 49 H VAL 49 8.414 -6.051 1.735 349 HA VAL 49 HA VAL 49 8.165 -3.212 1.857 350 HB VAL 49 HB VAL 49 7.909 -5.258 4.071 351 1HG1 VAL 49 1HG1 VAL 49 6.990 -2.380 3.970 352 2HG1 VAL 49 2HG1 VAL 49 8.330 -3.003 4.935 353 3HG1 VAL 49 3HG1 VAL 49 6.679 -3.521 5.278 354 1HG2 VAL 49 1HG2 VAL 49 5.805 -3.954 2.341 355 2HG2 VAL 49 2HG2 VAL 49 5.490 -5.033 3.700 356 3HG2 VAL 49 3HG2 VAL 49 6.316 -5.640 2.263 357 H HIS 50 H HIS 50 9.823 -1.901 2.139 358 HA HIS 50 HA HIS 50 12.214 -2.756 3.516 359 1HB HIS 50 2HB HIS 50 11.422 -0.107 2.290 360 2HB HIS 50 1HB HIS 50 12.948 -0.363 3.128 361 HD1 HIS 50 HD1 HIS 50 14.272 -2.626 2.028 362 HD2 HIS 50 HD2 HIS 50 11.721 -0.368 -0.357 363 HE1 HIS 50 HE1 HIS 50 14.967 -3.095 -0.345 364 HE2 HIS 50 HE2 HIS 50 13.565 -1.535 -1.739 365 H TYR 51 H TYR 51 12.749 -2.319 5.566 366 HA TYR 51 HA TYR 51 10.919 -0.624 7.122 367 1HB TYR 51 2HB TYR 51 12.839 -2.775 8.069 368 2HB TYR 51 1HB TYR 51 11.799 -1.809 9.113 369 HD1 TYR 51 HD1 TYR 51 11.915 -4.555 6.689 370 HD2 TYR 51 HD2 TYR 51 9.396 -2.197 9.180 371 HE1 TYR 51 HE1 TYR 51 10.096 -6.178 6.376 372 HE2 TYR 51 HE2 TYR 51 7.572 -3.819 8.875 373 HH TYR 51 HH TYR 51 8.061 -6.899 7.407 374 H SER 52 H SER 52 11.727 1.140 8.204 375 HA SER 52 HA SER 52 14.062 2.279 7.048 376 1HB SER 52 2HB SER 52 12.002 3.528 7.879 377 2HB SER 52 1HB SER 52 12.622 3.290 9.509 378 HG SER 52 HG SER 52 13.182 5.331 8.406 379 H ASP 53 H ASP 53 13.324 0.703 10.021 380 HA ASP 53 HA ASP 53 15.823 -0.255 10.642 381 1HB ASP 53 2HB ASP 53 16.583 2.034 11.017 382 2HB ASP 53 1HB ASP 53 15.201 2.356 12.060 383 H ASP 54 H ASP 54 12.867 1.164 11.791 384 HA ASP 54 HA ASP 54 12.374 -1.236 13.417 385 1HB ASP 54 2HB ASP 54 12.777 0.334 15.101 386 2HB ASP 54 1HB ASP 54 12.037 1.646 14.189 387 H ARG 55 H ARG 55 10.983 1.492 11.627 388 HA ARG 55 HA ARG 55 8.397 0.082 11.639 389 1HB ARG 55 2HB ARG 55 8.824 2.584 12.495 390 2HB ARG 55 1HB ARG 55 8.587 2.932 10.785 391 1HG ARG 55 2HG ARG 55 6.442 3.115 11.491 392 2HG ARG 55 1HG ARG 55 6.469 1.388 11.142 393 1HD ARG 55 2HD ARG 55 6.564 2.782 13.793 394 2HD ARG 55 1HD ARG 55 5.463 1.523 13.245 395 HE ARG 55 HE ARG 55 8.250 1.137 14.128 396 1HH1 ARG 55 1HH1 ARG 55 5.185 -0.259 13.131 397 2HH1 ARG 55 2HH1 ARG 55 5.471 -1.768 13.948 398 1HH2 ARG 55 1HH2 ARG 55 8.643 -0.854 15.168 399 2HH2 ARG 55 2HH2 ARG 55 7.437 -2.108 15.098 400 HA PRO 56 HA PRO 56 8.599 -0.684 7.245 401 1HB PRO 56 2HB PRO 56 5.787 0.285 7.236 402 2HB PRO 56 1HB PRO 56 6.459 -1.221 6.605 403 1HG PRO 56 2HG PRO 56 5.047 -1.168 8.877 404 2HG PRO 56 1HG PRO 56 6.431 -2.255 8.669 405 1HD PRO 56 2HD PRO 56 6.213 0.256 10.244 406 2HD PRO 56 1HD PRO 56 7.186 -1.195 10.558 407 H HIS 57 H HIS 57 9.213 0.554 5.576 408 HA HIS 57 HA HIS 57 8.059 3.177 5.184 409 1HB HIS 57 2HB HIS 57 10.410 2.992 6.666 410 2HB HIS 57 1HB HIS 57 10.957 3.404 5.042 411 HD1 HIS 57 HD1 HIS 57 8.901 4.716 7.885 412 HD2 HIS 57 HD2 HIS 57 10.304 5.979 4.184 413 HE1 HIS 57 HE1 HIS 57 8.457 7.186 7.805 414 HE2 HIS 57 HE2 HIS 57 9.109 7.882 5.466 415 H LEU 58 H LEU 58 7.421 2.886 3.176 416 HA LEU 58 HA LEU 58 8.831 1.244 1.312 417 1HB LEU 58 2HB LEU 58 6.544 3.161 0.875 418 2HB LEU 58 1HB LEU 58 7.093 1.944 -0.264 419 HG LEU 58 HG LEU 58 5.901 1.389 2.454 420 1HD1 LEU 58 1HD1 LEU 58 4.003 0.512 1.201 421 2HD1 LEU 58 2HD1 LEU 58 4.760 1.023 -0.309 422 3HD1 LEU 58 3HD1 LEU 58 4.257 2.226 0.880 423 1HD2 LEU 58 1HD2 LEU 58 5.901 -0.956 1.722 424 2HD2 LEU 58 2HD2 LEU 58 7.533 -0.299 1.850 425 3HD2 LEU 58 3HD2 LEU 58 6.782 -0.491 0.266 426 H TYR 59 H TYR 59 10.223 1.812 -0.263 427 HA TYR 59 HA TYR 59 10.841 4.670 -0.555 428 1HB TYR 59 2HB TYR 59 12.767 2.370 -0.240 429 2HB TYR 59 1HB TYR 59 13.253 3.941 -0.876 430 HD1 TYR 59 HD1 TYR 59 13.057 1.998 2.014 431 HD2 TYR 59 HD2 TYR 59 12.471 5.985 0.653 432 HE1 TYR 59 HE1 TYR 59 13.357 2.823 4.311 433 HE2 TYR 59 HE2 TYR 59 12.774 6.820 2.945 434 HH TYR 59 HH TYR 59 14.071 5.005 5.419 435 H LYS 60 H LYS 60 12.610 4.707 -2.500 436 HA LYS 60 HA LYS 60 11.136 4.849 -4.761 437 1HB LYS 60 2HB LYS 60 14.089 4.287 -4.526 438 2HB LYS 60 1HB LYS 60 13.296 4.808 -6.007 439 1HG LYS 60 2HG LYS 60 12.718 6.907 -5.053 440 2HG LYS 60 1HG LYS 60 13.226 6.381 -3.446 441 1HD LYS 60 2HD LYS 60 15.524 6.289 -4.150 442 2HD LYS 60 1HD LYS 60 15.069 6.615 -5.822 443 1HE LYS 60 2HE LYS 60 14.544 8.519 -3.550 444 2HE LYS 60 1HE LYS 60 15.990 8.580 -4.556 445 1HZ LYS 60 1HZ LYS 60 14.257 10.113 -5.307 446 2HZ LYS 60 2HZ LYS 60 13.208 8.809 -5.574 447 3HZ LYS 60 3HZ LYS 60 14.634 8.952 -6.484 448 H LEU 61 H LEU 61 13.321 2.105 -4.067 449 HA LEU 61 HA LEU 61 11.689 0.516 -5.914 450 1HB LEU 61 2HB LEU 61 13.823 -0.652 -6.603 451 2HB LEU 61 1HB LEU 61 13.605 0.979 -7.199 452 HG LEU 61 HG LEU 61 15.083 1.654 -5.155 453 1HD1 LEU 61 1HD1 LEU 61 16.737 -0.033 -4.547 454 2HD1 LEU 61 2HD1 LEU 61 15.878 -1.231 -5.514 455 3HD1 LEU 61 3HD1 LEU 61 15.110 -0.538 -4.086 456 1HD2 LEU 61 1HD2 LEU 61 15.697 1.918 -7.510 457 2HD2 LEU 61 2HD2 LEU 61 16.255 0.245 -7.549 458 3HD2 LEU 61 3HD2 LEU 61 17.076 1.425 -6.526 459 H GLY 62 H GLY 62 11.385 -1.641 -5.400 460 1HA GLY 62 2HA GLY 62 12.503 -3.465 -3.947 461 2HA GLY 62 1HA GLY 62 12.160 -2.330 -2.650 462 HA PRO 63 HA PRO 63 8.085 -3.867 -2.192 463 1HB PRO 63 2HB PRO 63 6.419 -1.720 -2.243 464 2HB PRO 63 1HB PRO 63 7.502 -2.076 -0.895 465 1HG PRO 63 2HG PRO 63 7.836 -0.120 -3.130 466 2HG PRO 63 1HG PRO 63 8.232 0.060 -1.411 467 1HD PRO 63 2HD PRO 63 10.095 -0.488 -3.317 468 2HD PRO 63 1HD PRO 63 10.240 -1.024 -1.632 469 H GLU 64 H GLU 64 7.069 -5.083 -3.600 470 HA GLU 64 HA GLU 64 6.050 -3.881 -6.093 471 1HB GLU 64 2HB GLU 64 6.839 -6.743 -5.507 472 2HB GLU 64 1HB GLU 64 6.095 -6.201 -7.004 473 1HG GLU 64 2HG GLU 64 8.759 -5.272 -5.953 474 2HG GLU 64 1HG GLU 64 8.522 -6.497 -7.198 475 H LEU 65 H LEU 65 3.963 -4.553 -6.787 476 HA LEU 65 HA LEU 65 2.227 -5.340 -4.554 477 1HB LEU 65 2HB LEU 65 1.590 -3.985 -7.178 478 2HB LEU 65 1HB LEU 65 0.382 -4.471 -6.005 479 HG LEU 65 HG LEU 65 1.700 -2.941 -4.369 480 1HD1 LEU 65 1HD1 LEU 65 2.611 -1.819 -7.009 481 2HD1 LEU 65 2HD1 LEU 65 3.638 -2.566 -5.785 482 3HD1 LEU 65 3HD1 LEU 65 2.808 -1.050 -5.435 483 1HD2 LEU 65 1HD2 LEU 65 0.064 -1.794 -6.624 484 2HD2 LEU 65 2HD2 LEU 65 0.390 -1.003 -5.082 485 3HD2 LEU 65 3HD2 LEU 65 -0.559 -2.488 -5.126 486 H THR 66 H THR 66 1.057 -7.172 -4.606 487 HA THR 66 HA THR 66 1.635 -9.091 -6.681 488 HB THR 66 HB THR 66 0.308 -10.653 -5.351 489 HG1 THR 66 HG1 THR 66 -0.427 -9.624 -3.207 490 1HG2 THR 66 1HG2 THR 66 2.617 -10.290 -4.651 491 2HG2 THR 66 2HG2 THR 66 1.591 -10.586 -3.250 492 3HG2 THR 66 3HG2 THR 66 2.112 -8.944 -3.627 493 H GLU 67 H GLU 67 -0.126 -10.252 -7.849 494 HA GLU 67 HA GLU 67 -2.009 -8.411 -8.942 495 1HB GLU 67 2HB GLU 67 -2.800 -10.179 -10.312 496 2HB GLU 67 1HB GLU 67 -1.064 -10.398 -10.179 497 1HG GLU 67 2HG GLU 67 -1.377 -12.165 -8.574 498 2HG GLU 67 1HG GLU 67 -3.118 -11.892 -8.569 499 H LYS 68 H LYS 68 -1.983 -10.528 -6.265 500 HA LYS 68 HA LYS 68 -4.714 -10.859 -5.743 501 1HB LYS 68 2HB LYS 68 -2.756 -11.925 -4.543 502 2HB LYS 68 1HB LYS 68 -2.511 -10.396 -3.718 503 1HG LYS 68 2HG LYS 68 -4.640 -10.591 -2.612 504 2HG LYS 68 1HG LYS 68 -5.028 -12.044 -3.540 505 1HD LYS 68 2HD LYS 68 -3.032 -13.142 -2.546 506 2HD LYS 68 1HD LYS 68 -2.792 -11.716 -1.539 507 1HE LYS 68 2HE LYS 68 -5.290 -13.400 -1.538 508 2HE LYS 68 1HE LYS 68 -3.955 -13.610 -0.407 509 1HZ LYS 68 1HZ LYS 68 -5.599 -12.295 0.646 510 2HZ LYS 68 2HZ LYS 68 -5.733 -11.251 -0.683 511 3HZ LYS 68 3HZ LYS 68 -4.319 -11.252 0.259 512 H GLY 69 H GLY 69 -2.442 -8.302 -4.766 513 1HA GLY 69 2HA GLY 69 -4.488 -6.618 -3.675 514 2HA GLY 69 1HA GLY 69 -2.821 -6.164 -3.998 515 H GLU 70 H GLU 70 -2.856 -6.889 -6.773 516 HA GLU 70 HA GLU 70 -3.726 -4.466 -7.895 517 1HB GLU 70 2HB GLU 70 -1.921 -6.002 -8.773 518 2HB GLU 70 1HB GLU 70 -3.202 -7.028 -9.402 519 1HG GLU 70 2HG GLU 70 -3.998 -5.194 -10.789 520 2HG GLU 70 1HG GLU 70 -2.719 -4.157 -10.158 521 H ASN 71 H ASN 71 -5.181 -7.718 -7.971 522 HA ASN 71 HA ASN 71 -7.425 -6.971 -9.543 523 1HB ASN 71 2HB ASN 71 -6.818 -9.296 -7.753 524 2HB ASN 71 1HB ASN 71 -8.461 -9.062 -8.338 525 1HD2 ASN 71 1HD2 ASN 71 -5.206 -9.882 -9.172 526 2HD2 ASN 71 2HD2 ASN 71 -5.535 -10.442 -10.782 527 H TYR 72 H TYR 72 -6.758 -6.919 -6.103 528 HA TYR 72 HA TYR 72 -9.345 -6.260 -5.197 529 1HB TYR 72 2HB TYR 72 -7.247 -6.947 -3.875 530 2HB TYR 72 1HB TYR 72 -6.768 -5.260 -3.987 531 HD1 TYR 72 HD1 TYR 72 -6.922 -4.390 -1.850 532 HD2 TYR 72 HD2 TYR 72 -10.110 -6.798 -3.320 533 HE1 TYR 72 HE1 TYR 72 -8.202 -3.944 0.207 534 HE2 TYR 72 HE2 TYR 72 -11.403 -6.346 -1.277 535 HH TYR 72 HH TYR 72 -10.474 -3.944 1.007 536 H LEU 73 H LEU 73 -6.702 -4.386 -6.510 537 HA LEU 73 HA LEU 73 -7.818 -1.811 -6.007 538 1HB LEU 73 2HB LEU 73 -5.578 -2.769 -7.766 539 2HB LEU 73 1HB LEU 73 -6.042 -1.080 -7.660 540 HG LEU 73 HG LEU 73 -5.082 -2.774 -5.355 541 1HD1 LEU 73 1HD1 LEU 73 -3.700 -0.566 -6.871 542 2HD1 LEU 73 2HD1 LEU 73 -3.310 -2.282 -6.967 543 3HD1 LEU 73 3HD1 LEU 73 -3.071 -1.406 -5.453 544 1HD2 LEU 73 1HD2 LEU 73 -5.030 -0.647 -4.141 545 2HD2 LEU 73 2HD2 LEU 73 -6.662 -1.068 -4.657 546 3HD2 LEU 73 3HD2 LEU 73 -5.750 0.160 -5.533 547 H LYS 74 H LYS 74 -8.338 -4.156 -8.448 548 HA LYS 74 HA LYS 74 -8.943 -2.644 -10.683 549 1HB LYS 74 2HB LYS 74 -8.886 -5.133 -10.567 550 2HB LYS 74 1HB LYS 74 -10.440 -5.097 -9.747 551 1HG LYS 74 2HG LYS 74 -10.789 -5.607 -12.057 552 2HG LYS 74 1HG LYS 74 -11.413 -3.989 -11.730 553 1HD LYS 74 2HD LYS 74 -9.328 -3.031 -12.638 554 2HD LYS 74 1HD LYS 74 -8.768 -4.661 -13.022 555 1HE LYS 74 2HE LYS 74 -9.703 -3.608 -14.996 556 2HE LYS 74 1HE LYS 74 -10.704 -4.970 -14.495 557 1HZ LYS 74 1HZ LYS 74 -11.259 -2.100 -13.966 558 2HZ LYS 74 2HZ LYS 74 -12.209 -3.390 -13.419 559 3HZ LYS 74 3HZ LYS 74 -12.072 -3.084 -15.079 560 H GLU 75 H GLU 75 -10.923 -3.281 -7.837 561 HA GLU 75 HA GLU 75 -13.176 -1.779 -8.871 562 1HB GLU 75 2HB GLU 75 -12.642 -3.000 -6.157 563 2HB GLU 75 1HB GLU 75 -14.147 -2.216 -6.618 564 1HG GLU 75 2HG GLU 75 -12.987 -4.659 -7.943 565 2HG GLU 75 1HG GLU 75 -14.272 -4.662 -6.735 566 H ASN 76 H ASN 76 -10.310 -1.169 -7.155 567 HA ASN 76 HA ASN 76 -11.243 1.111 -5.661 568 1HB ASN 76 2HB ASN 76 -9.343 -0.477 -4.990 569 2HB ASN 76 1HB ASN 76 -8.368 0.351 -6.199 570 1HD2 ASN 76 1HD2 ASN 76 -10.777 1.865 -4.139 571 2HD2 ASN 76 2HD2 ASN 76 -9.660 2.825 -3.239 572 H GLY 77 H GLY 77 -10.383 0.539 -8.848 573 1HA GLY 77 2HA GLY 77 -8.989 2.879 -9.557 574 2HA GLY 77 1HA GLY 77 -9.955 1.899 -10.649 575 H THR 78 H THR 78 -12.324 2.421 -8.764 576 HA THR 78 HA THR 78 -13.001 5.015 -9.949 577 HB THR 78 HB THR 78 -14.524 3.160 -10.477 578 HG1 THR 78 HG1 THR 78 -15.623 5.182 -8.791 579 1HG2 THR 78 1HG2 THR 78 -15.050 3.083 -7.505 580 2HG2 THR 78 2HG2 THR 78 -14.281 1.820 -8.466 581 3HG2 THR 78 3HG2 THR 78 -15.978 2.216 -8.729 582 H TRP 79 H TRP 79 -11.409 4.439 -7.438 583 HA TRP 79 HA TRP 79 -13.050 5.945 -5.516 584 1HB TRP 79 2HB TRP 79 -11.964 3.735 -4.832 585 2HB TRP 79 1HB TRP 79 -10.415 4.559 -4.968 586 HD1 TRP 79 HD1 TRP 79 -10.574 7.080 -3.384 587 HE1 TRP 79 HE1 TRP 79 -11.237 7.184 -0.904 588 HE3 TRP 79 HE3 TRP 79 -13.049 2.617 -3.011 589 HZ2 TRP 79 HZ2 TRP 79 -12.614 5.591 0.965 590 HZ3 TRP 79 HZ3 TRP 79 -14.004 1.982 -0.836 591 HH2 TRP 79 HH2 TRP 79 -13.790 3.439 1.112 592 H SER 80 H SER 80 -12.502 8.012 -5.026 593 HA SER 80 HA SER 80 -10.003 9.036 -6.198 594 1HB SER 80 2HB SER 80 -11.955 9.849 -7.440 595 2HB SER 80 1HB SER 80 -12.674 10.446 -5.946 596 HG SER 80 HG SER 80 -10.704 11.546 -7.525 597 H LYS 81 H LYS 81 -9.072 10.910 -5.086 598 HA LYS 81 HA LYS 81 -9.491 10.730 -2.200 599 1HB LYS 81 2HB LYS 81 -7.276 11.929 -3.868 600 2HB LYS 81 1HB LYS 81 -7.386 12.161 -2.126 601 1HG LYS 81 2HG LYS 81 -7.258 9.754 -1.782 602 2HG LYS 81 1HG LYS 81 -7.186 9.500 -3.524 603 1HD LYS 81 2HD LYS 81 -4.971 9.340 -2.573 604 2HD LYS 81 1HD LYS 81 -5.079 10.771 -3.596 605 1HE LYS 81 2HE LYS 81 -5.182 12.213 -1.724 606 2HE LYS 81 1HE LYS 81 -5.471 10.873 -0.617 607 1HZ LYS 81 1HZ LYS 81 -3.301 10.434 -0.462 608 2HZ LYS 81 2HZ LYS 81 -3.060 11.986 -1.095 609 3HZ LYS 81 3HZ LYS 81 -3.019 10.638 -2.122 610 H ALA 82 H ALA 82 -11.330 12.044 -4.058 611 HA ALA 82 HA ALA 82 -11.265 14.824 -3.195 612 1HB ALA 82 1HB ALA 82 -13.320 15.035 -4.543 613 2HB ALA 82 2HB ALA 82 -13.265 13.304 -4.875 614 3HB ALA 82 3HB ALA 82 -11.984 14.358 -5.473 Start of MODEL 19 1 H LYS 5 H LYS 5 -10.631 -0.427 1.998 2 HA LYS 5 HA LYS 5 -11.182 1.506 0.966 3 1HB LYS 5 2HB LYS 5 -11.830 2.369 3.779 4 2HB LYS 5 1HB LYS 5 -11.921 3.496 2.434 5 1HG LYS 5 2HG LYS 5 -14.108 2.629 2.853 6 2HG LYS 5 1HG LYS 5 -13.532 1.961 1.326 7 1HD LYS 5 2HD LYS 5 -12.782 -0.059 2.680 8 2HD LYS 5 1HD LYS 5 -13.751 0.602 3.997 9 1HE LYS 5 2HE LYS 5 -15.747 0.430 2.719 10 2HE LYS 5 1HE LYS 5 -14.845 0.057 1.249 11 1HZ LYS 5 1HZ LYS 5 -15.766 -1.954 2.131 12 2HZ LYS 5 2HZ LYS 5 -15.095 -1.658 3.658 13 3HZ LYS 5 3HZ LYS 5 -14.079 -2.002 2.350 14 H LEU 6 H LEU 6 -9.528 2.593 3.939 15 HA LEU 6 HA LEU 6 -7.844 4.425 2.595 16 1HB LEU 6 2HB LEU 6 -7.570 3.069 5.280 17 2HB LEU 6 1HB LEU 6 -6.448 4.282 4.704 18 HG LEU 6 HG LEU 6 -7.919 5.389 6.175 19 1HD1 LEU 6 1HD1 LEU 6 -8.853 5.935 3.366 20 2HD1 LEU 6 2HD1 LEU 6 -7.445 6.644 4.157 21 3HD1 LEU 6 3HD1 LEU 6 -9.066 7.006 4.752 22 1HD2 LEU 6 1HD2 LEU 6 -9.685 3.736 6.293 23 2HD2 LEU 6 2HD2 LEU 6 -10.208 4.151 4.662 24 3HD2 LEU 6 3HD2 LEU 6 -10.355 5.333 5.960 25 H ARG 7 H ARG 7 -7.641 1.027 3.276 26 HA ARG 7 HA ARG 7 -4.922 0.553 2.777 27 1HB ARG 7 2HB ARG 7 -7.145 -1.319 1.967 28 2HB ARG 7 1HB ARG 7 -5.517 -1.741 2.455 29 1HG ARG 7 2HG ARG 7 -7.653 -0.616 4.239 30 2HG ARG 7 1HG ARG 7 -7.149 -2.300 4.157 31 1HD ARG 7 2HD ARG 7 -4.817 -1.427 4.768 32 2HD ARG 7 1HD ARG 7 -5.643 0.066 5.222 33 HE ARG 7 HE ARG 7 -6.721 -2.379 6.354 34 1HH1 ARG 7 1HH1 ARG 7 -4.779 0.492 6.879 35 2HH1 ARG 7 2HH1 ARG 7 -4.662 0.251 8.590 36 1HH2 ARG 7 1HH2 ARG 7 -6.544 -2.692 8.615 37 2HH2 ARG 7 2HH2 ARG 7 -5.610 -1.575 9.570 38 H TYR 8 H TYR 8 -7.717 0.771 0.653 39 HA TYR 8 HA TYR 8 -6.436 -0.058 -1.726 40 1HB TYR 8 2HB TYR 8 -8.824 -0.180 -1.616 41 2HB TYR 8 1HB TYR 8 -8.955 1.532 -1.220 42 HD1 TYR 8 HD1 TYR 8 -7.910 -0.794 -3.923 43 HD2 TYR 8 HD2 TYR 8 -9.226 3.125 -2.922 44 HE1 TYR 8 HE1 TYR 8 -8.153 -0.270 -6.308 45 HE2 TYR 8 HE2 TYR 8 -9.466 3.663 -5.310 46 HH TYR 8 HH TYR 8 -9.415 1.282 -7.732 47 H ALA 9 H ALA 9 -7.077 3.119 -0.317 48 HA ALA 9 HA ALA 9 -6.230 4.705 -2.441 49 1HB ALA 9 1HB ALA 9 -5.899 6.474 -0.780 50 2HB ALA 9 2HB ALA 9 -6.002 5.280 0.514 51 3HB ALA 9 3HB ALA 9 -7.407 5.602 -0.503 52 H ILE 10 H ILE 10 -4.372 3.403 0.295 53 HA ILE 10 HA ILE 10 -1.897 4.516 -0.412 54 HB ILE 10 HB ILE 10 -2.427 1.939 1.082 55 1HG1 ILE 10 2HG1 ILE 10 -2.004 4.777 2.050 56 2HG1 ILE 10 1HG1 ILE 10 -3.504 3.862 2.129 57 1HG2 ILE 10 1HG2 ILE 10 -0.175 2.270 2.024 58 2HG2 ILE 10 2HG2 ILE 10 0.062 3.644 0.944 59 3HG2 ILE 10 3HG2 ILE 10 -0.138 2.023 0.278 60 1HD1 ILE 10 1HD1 ILE 10 -2.430 3.941 4.289 61 2HD1 ILE 10 2HD1 ILE 10 -0.964 3.235 3.610 62 3HD1 ILE 10 3HD1 ILE 10 -2.451 2.288 3.674 63 H LEU 11 H LEU 11 -3.371 1.403 -1.260 64 HA LEU 11 HA LEU 11 -1.256 0.279 -2.665 65 1HB LEU 11 2HB LEU 11 -4.228 0.049 -3.086 66 2HB LEU 11 1HB LEU 11 -3.064 -0.910 -3.978 67 HG LEU 11 HG LEU 11 -3.405 -0.950 -0.979 68 1HD1 LEU 11 1HD1 LEU 11 -4.383 -3.162 -1.324 69 2HD1 LEU 11 2HD1 LEU 11 -4.278 -2.940 -3.070 70 3HD1 LEU 11 3HD1 LEU 11 -5.337 -1.906 -2.111 71 1HD2 LEU 11 1HD2 LEU 11 -1.753 -2.693 -2.802 72 2HD2 LEU 11 2HD2 LEU 11 -1.932 -2.893 -1.059 73 3HD2 LEU 11 3HD2 LEU 11 -1.128 -1.462 -1.706 74 H LYS 12 H LYS 12 -3.823 2.433 -3.847 75 HA LYS 12 HA LYS 12 -2.941 2.364 -6.544 76 1HB LYS 12 2HB LYS 12 -5.246 3.006 -5.837 77 2HB LYS 12 1HB LYS 12 -4.591 4.517 -5.225 78 1HG LYS 12 2HG LYS 12 -3.854 5.120 -7.460 79 2HG LYS 12 1HG LYS 12 -4.486 3.595 -8.083 80 1HD LYS 12 2HD LYS 12 -6.075 5.328 -8.546 81 2HD LYS 12 1HD LYS 12 -6.741 4.278 -7.297 82 1HE LYS 12 2HE LYS 12 -7.149 6.628 -6.783 83 2HE LYS 12 1HE LYS 12 -6.091 5.887 -5.583 84 1HZ LYS 12 1HZ LYS 12 -5.559 8.211 -6.691 85 2HZ LYS 12 2HZ LYS 12 -4.797 7.219 -7.840 86 3HZ LYS 12 3HZ LYS 12 -4.334 7.146 -6.208 87 H GLU 13 H GLU 13 -2.355 4.620 -3.867 88 HA GLU 13 HA GLU 13 -0.961 6.523 -5.419 89 1HB GLU 13 2HB GLU 13 -0.736 5.943 -2.460 90 2HB GLU 13 1HB GLU 13 -0.091 7.369 -3.262 91 1HG GLU 13 2HG GLU 13 -2.982 6.587 -2.987 92 2HG GLU 13 1HG GLU 13 -2.162 7.932 -2.200 93 H ILE 14 H ILE 14 0.129 3.656 -3.657 94 HA ILE 14 HA ILE 14 2.891 3.989 -4.170 95 HB ILE 14 HB ILE 14 1.261 1.481 -3.729 96 1HG1 ILE 14 2HG1 ILE 14 3.152 2.998 -1.916 97 2HG1 ILE 14 1HG1 ILE 14 1.394 3.042 -1.820 98 1HG2 ILE 14 1HG2 ILE 14 3.259 0.931 -5.012 99 2HG2 ILE 14 2HG2 ILE 14 3.377 0.314 -3.363 100 3HG2 ILE 14 3HG2 ILE 14 4.262 1.768 -3.826 101 1HD1 ILE 14 1HD1 ILE 14 2.317 1.577 -0.128 102 2HD1 ILE 14 2HD1 ILE 14 3.137 0.628 -1.367 103 3HD1 ILE 14 3HD1 ILE 14 1.376 0.650 -1.295 104 H PHE 15 H PHE 15 0.281 2.453 -5.968 105 HA PHE 15 HA PHE 15 1.895 1.351 -8.014 106 1HB PHE 15 2HB PHE 15 -0.366 0.544 -7.473 107 2HB PHE 15 1HB PHE 15 -1.045 2.065 -8.038 108 HD1 PHE 15 HD1 PHE 15 1.123 -0.725 -9.240 109 HD2 PHE 15 HD2 PHE 15 -1.846 2.175 -10.193 110 HE1 PHE 15 HE1 PHE 15 0.931 -1.670 -11.502 111 HE2 PHE 15 HE2 PHE 15 -2.038 1.233 -12.461 112 HZ PHE 15 HZ PHE 15 -0.650 -0.693 -13.113 113 H GLU 16 H GLU 16 -0.092 4.321 -7.901 114 HA GLU 16 HA GLU 16 0.623 5.073 -10.569 115 1HB GLU 16 2HB GLU 16 -0.546 6.867 -8.436 116 2HB GLU 16 1HB GLU 16 -0.598 7.112 -10.174 117 1HG GLU 16 2HG GLU 16 -1.887 4.806 -10.110 118 2HG GLU 16 1HG GLU 16 -2.209 5.308 -8.458 119 H GLY 17 H GLY 17 1.863 5.784 -7.378 120 1HA GLY 17 2HA GLY 17 3.491 7.987 -8.357 121 2HA GLY 17 1HA GLY 17 3.383 7.426 -6.697 122 H ASN 18 H ASN 18 3.908 4.632 -7.470 123 HA ASN 18 HA ASN 18 5.632 3.177 -7.719 124 1HB ASN 18 2HB ASN 18 6.015 4.386 -9.892 125 2HB ASN 18 1HB ASN 18 7.170 5.414 -9.057 126 1HD2 ASN 18 1HD2 ASN 18 6.795 1.990 -8.405 127 2HD2 ASN 18 2HD2 ASN 18 8.322 1.513 -9.052 128 H THR 19 H THR 19 5.359 5.295 -5.571 129 HA THR 19 HA THR 19 6.296 5.908 -3.624 130 HB THR 19 HB THR 19 8.037 4.302 -2.645 131 HG1 THR 19 HG1 THR 19 8.237 3.432 -5.058 132 1HG2 THR 19 1HG2 THR 19 6.316 2.624 -2.172 133 2HG2 THR 19 2HG2 THR 19 5.332 3.269 -3.486 134 3HG2 THR 19 3HG2 THR 19 5.674 4.264 -2.071 135 HA PRO 20 HA PRO 20 7.899 5.564 -1.784 136 1HB PRO 20 2HB PRO 20 9.426 6.989 -0.141 137 2HB PRO 20 1HB PRO 20 10.116 5.659 -1.082 138 1HG PRO 20 2HG PRO 20 10.335 8.597 -1.506 139 2HG PRO 20 1HG PRO 20 11.533 7.326 -1.796 140 1HD PRO 20 2HD PRO 20 9.854 8.521 -3.710 141 2HD PRO 20 1HD PRO 20 10.830 7.057 -3.932 142 H LEU 21 H LEU 21 6.531 6.459 -0.166 143 HA LEU 21 HA LEU 21 6.161 9.326 -0.076 144 1HB LEU 21 2HB LEU 21 3.844 9.380 -0.527 145 2HB LEU 21 1HB LEU 21 4.587 8.509 -1.848 146 HG LEU 21 HG LEU 21 3.191 7.146 0.456 147 1HD1 LEU 21 1HD1 LEU 21 1.604 8.557 -0.712 148 2HD1 LEU 21 2HD1 LEU 21 1.303 6.860 -1.083 149 3HD1 LEU 21 3HD1 LEU 21 2.119 7.889 -2.260 150 1HD2 LEU 21 1HD2 LEU 21 3.981 6.161 -2.281 151 2HD2 LEU 21 2HD2 LEU 21 3.123 5.237 -1.050 152 3HD2 LEU 21 3HD2 LEU 21 4.785 5.749 -0.766 153 H SER 22 H SER 22 5.820 9.998 1.929 154 HA SER 22 HA SER 22 5.421 8.049 4.031 155 1HB SER 22 2HB SER 22 5.741 11.057 4.212 156 2HB SER 22 1HB SER 22 5.848 9.910 5.549 157 HG SER 22 HG SER 22 7.602 10.198 3.331 158 H GLU 23 H GLU 23 3.828 8.753 5.834 159 HA GLU 23 HA GLU 23 1.254 8.575 4.763 160 1HB GLU 23 2HB GLU 23 0.628 9.259 7.241 161 2HB GLU 23 1HB GLU 23 1.289 7.680 6.856 162 1HG GLU 23 2HG GLU 23 2.395 8.424 8.792 163 2HG GLU 23 1HG GLU 23 3.548 8.579 7.470 164 H ASN 24 H ASN 24 3.062 11.373 5.907 165 HA ASN 24 HA ASN 24 0.904 13.199 5.770 166 1HB ASN 24 2HB ASN 24 2.568 14.933 5.975 167 2HB ASN 24 1HB ASN 24 3.034 13.594 7.017 168 1HD2 ASN 24 1HD2 ASN 24 3.809 15.460 4.230 169 2HD2 ASN 24 2HD2 ASN 24 5.381 14.781 3.947 170 H ASP 25 H ASP 25 3.006 11.844 3.372 171 HA ASP 25 HA ASP 25 2.575 13.840 1.365 172 1HB ASP 25 2HB ASP 25 3.571 10.989 1.174 173 2HB ASP 25 1HB ASP 25 3.499 12.094 -0.193 174 H ILE 26 H ILE 26 1.287 10.600 1.981 175 HA ILE 26 HA ILE 26 -0.467 10.694 -0.282 176 HB ILE 26 HB ILE 26 0.426 8.568 0.420 177 1HG1 ILE 26 2HG1 ILE 26 -2.560 8.733 0.879 178 2HG1 ILE 26 1HG1 ILE 26 -1.751 8.550 -0.675 179 1HG2 ILE 26 1HG2 ILE 26 -1.064 8.994 3.004 180 2HG2 ILE 26 2HG2 ILE 26 0.685 8.964 2.786 181 3HG2 ILE 26 3HG2 ILE 26 -0.262 7.499 2.523 182 1HD1 ILE 26 1HD1 ILE 26 -1.694 6.560 1.578 183 2HD1 ILE 26 2HD1 ILE 26 -0.917 6.376 0.003 184 3HD1 ILE 26 3HD1 ILE 26 -2.676 6.448 0.118 185 H GLY 27 H GLY 27 -0.825 11.272 3.185 186 1HA GLY 27 2HA GLY 27 -2.456 12.995 3.773 187 2HA GLY 27 1HA GLY 27 -3.535 12.283 2.585 188 H VAL 28 H VAL 28 -1.660 10.298 4.760 189 HA VAL 28 HA VAL 28 -4.083 9.836 6.371 190 HB VAL 28 HB VAL 28 -3.522 7.457 6.571 191 1HG1 VAL 28 1HG1 VAL 28 -5.107 8.102 4.860 192 2HG1 VAL 28 2HG1 VAL 28 -4.123 6.753 4.290 193 3HG1 VAL 28 3HG1 VAL 28 -3.794 8.389 3.716 194 1HG2 VAL 28 1HG2 VAL 28 -1.109 7.613 6.222 195 2HG2 VAL 28 2HG2 VAL 28 -1.378 8.017 4.526 196 3HG2 VAL 28 3HG2 VAL 28 -1.838 6.428 5.137 197 H THR 29 H THR 29 -3.439 8.591 8.460 198 HA THR 29 HA THR 29 -1.320 10.125 9.700 199 HB THR 29 HB THR 29 -2.082 8.977 11.790 200 HG1 THR 29 HG1 THR 29 -4.257 7.898 11.408 201 1HG2 THR 29 1HG2 THR 29 -3.040 11.135 11.094 202 2HG2 THR 29 2HG2 THR 29 -4.221 10.135 11.942 203 3HG2 THR 29 3HG2 THR 29 -4.289 10.278 10.185 204 H GLU 30 H GLU 30 0.330 9.059 11.069 205 HA GLU 30 HA GLU 30 1.784 6.982 9.903 206 1HB GLU 30 2HB GLU 30 1.645 7.463 12.883 207 2HB GLU 30 1HB GLU 30 2.998 6.821 11.963 208 1HG GLU 30 2HG GLU 30 3.362 8.976 10.936 209 2HG GLU 30 1HG GLU 30 1.944 9.624 11.762 210 H ASP 31 H ASP 31 -0.644 6.994 12.408 211 HA ASP 31 HA ASP 31 -0.901 4.387 13.179 212 1HB ASP 31 2HB ASP 31 -2.279 6.401 13.890 213 2HB ASP 31 1HB ASP 31 -3.226 6.160 12.416 214 H GLN 32 H GLN 32 -2.705 5.906 10.575 215 HA GLN 32 HA GLN 32 -3.944 3.578 9.638 216 1HB GLN 32 2HB GLN 32 -4.584 6.020 9.330 217 2HB GLN 32 1HB GLN 32 -3.385 6.061 8.048 218 1HG GLN 32 2HG GLN 32 -5.627 5.747 7.195 219 2HG GLN 32 1HG GLN 32 -4.581 4.378 6.827 220 1HE2 GLN 32 1HE2 GLN 32 -7.229 5.512 8.780 221 2HE2 GLN 32 2HE2 GLN 32 -7.815 3.956 9.252 222 H PHE 33 H PHE 33 -1.117 5.364 8.448 223 HA PHE 33 HA PHE 33 -0.750 3.849 6.099 224 1HB PHE 33 2HB PHE 33 0.215 6.129 6.620 225 2HB PHE 33 1HB PHE 33 1.403 5.313 7.629 226 HD1 PHE 33 HD1 PHE 33 0.185 5.742 4.189 227 HD2 PHE 33 HD2 PHE 33 3.276 4.202 6.673 228 HE1 PHE 33 HE1 PHE 33 1.597 5.395 2.204 229 HE2 PHE 33 HE2 PHE 33 4.695 3.852 4.695 230 HZ PHE 33 HZ PHE 33 3.854 4.451 2.457 231 H ASP 34 H ASP 34 0.891 3.689 9.253 232 HA ASP 34 HA ASP 34 2.594 1.548 8.552 233 1HB ASP 34 2HB ASP 34 3.162 2.985 10.398 234 2HB ASP 34 1HB ASP 34 1.670 2.584 11.235 235 H ASP 35 H ASP 35 -0.499 1.653 10.297 236 HA ASP 35 HA ASP 35 -0.711 -1.111 10.778 237 1HB ASP 35 2HB ASP 35 -2.115 0.615 11.880 238 2HB ASP 35 1HB ASP 35 -2.956 0.877 10.358 239 H ALA 36 H ALA 36 -1.736 0.899 8.038 240 HA ALA 36 HA ALA 36 -3.091 -1.100 6.605 241 1HB ALA 36 1HB ALA 36 -3.234 1.273 6.049 242 2HB ALA 36 2HB ALA 36 -2.788 0.299 4.647 243 3HB ALA 36 3HB ALA 36 -1.560 1.242 5.494 244 H VAL 37 H VAL 37 0.326 -0.070 6.359 245 HA VAL 37 HA VAL 37 1.025 -1.811 4.284 246 HB VAL 37 HB VAL 37 2.799 -0.787 6.513 247 1HG1 VAL 37 1HG1 VAL 37 4.651 -1.220 4.943 248 2HG1 VAL 37 2HG1 VAL 37 3.512 -1.978 3.831 249 3HG1 VAL 37 3HG1 VAL 37 3.816 -2.701 5.410 250 1HG2 VAL 37 1HG2 VAL 37 2.310 0.280 3.732 251 2HG2 VAL 37 2HG2 VAL 37 3.465 0.925 4.900 252 3HG2 VAL 37 3HG2 VAL 37 1.735 1.002 5.235 253 H ASN 38 H ASN 38 1.074 -2.307 7.794 254 HA ASN 38 HA ASN 38 2.217 -4.876 7.757 255 1HB ASN 38 2HB ASN 38 0.498 -3.421 9.741 256 2HB ASN 38 1HB ASN 38 0.897 -5.116 9.989 257 1HD2 ASN 38 1HD2 ASN 38 2.078 -1.869 9.972 258 2HD2 ASN 38 2HD2 ASN 38 3.637 -2.221 10.645 259 H PHE 39 H PHE 39 -1.179 -3.841 7.701 260 HA PHE 39 HA PHE 39 -2.288 -6.438 7.623 261 1HB PHE 39 2HB PHE 39 -3.650 -4.501 8.189 262 2HB PHE 39 1HB PHE 39 -3.385 -3.812 6.592 263 HD1 PHE 39 HD1 PHE 39 -4.854 -6.759 8.311 264 HD2 PHE 39 HD2 PHE 39 -4.868 -4.260 4.865 265 HE1 PHE 39 HE1 PHE 39 -6.880 -7.895 7.495 266 HE2 PHE 39 HE2 PHE 39 -6.889 -5.392 4.043 267 HZ PHE 39 HZ PHE 39 -7.900 -7.213 5.360 268 H LEU 40 H LEU 40 -1.269 -4.205 5.093 269 HA LEU 40 HA LEU 40 -2.218 -5.676 2.895 270 1HB LEU 40 2HB LEU 40 0.025 -3.686 3.162 271 2HB LEU 40 1HB LEU 40 -0.469 -4.370 1.627 272 HG LEU 40 HG LEU 40 -2.325 -2.808 3.417 273 1HD1 LEU 40 1HD1 LEU 40 -1.970 -0.944 1.881 274 2HD1 LEU 40 2HD1 LEU 40 -0.752 -1.880 1.017 275 3HD1 LEU 40 3HD1 LEU 40 -0.469 -1.396 2.689 276 1HD2 LEU 40 1HD2 LEU 40 -3.660 -2.648 1.360 277 2HD2 LEU 40 2HD2 LEU 40 -3.436 -4.322 1.873 278 3HD2 LEU 40 3HD2 LEU 40 -2.488 -3.674 0.533 279 H LYS 41 H LYS 41 0.976 -5.640 4.475 280 HA LYS 41 HA LYS 41 2.094 -7.602 2.735 281 1HB LYS 41 2HB LYS 41 3.437 -5.979 4.095 282 2HB LYS 41 1HB LYS 41 2.998 -6.888 5.535 283 1HG LYS 41 2HG LYS 41 4.120 -8.863 4.623 284 2HG LYS 41 1HG LYS 41 4.556 -7.946 3.182 285 1HD LYS 41 2HD LYS 41 6.461 -7.972 4.607 286 2HD LYS 41 1HD LYS 41 5.775 -6.350 4.681 287 1HE LYS 41 2HE LYS 41 6.340 -6.954 6.901 288 2HE LYS 41 1HE LYS 41 4.587 -7.066 6.780 289 1HZ LYS 41 1HZ LYS 41 5.564 -8.948 7.971 290 2HZ LYS 41 2HZ LYS 41 6.460 -9.370 6.596 291 3HZ LYS 41 3HZ LYS 41 4.766 -9.453 6.561 292 H ARG 42 H ARG 42 0.147 -7.698 5.576 293 HA ARG 42 HA ARG 42 0.735 -10.208 6.614 294 1HB ARG 42 2HB ARG 42 -0.872 -8.337 7.466 295 2HB ARG 42 1HB ARG 42 -2.085 -9.185 6.517 296 1HG ARG 42 2HG ARG 42 -2.324 -10.048 8.664 297 2HG ARG 42 1HG ARG 42 -1.377 -11.272 7.813 298 1HD ARG 42 2HD ARG 42 0.683 -10.206 8.750 299 2HD ARG 42 1HD ARG 42 -0.363 -9.175 9.724 300 HE ARG 42 HE ARG 42 -0.061 -12.090 9.999 301 1HH1 ARG 42 1HH1 ARG 42 -1.188 -9.014 11.260 302 2HH1 ARG 42 2HH1 ARG 42 -1.520 -9.641 12.846 303 1HH2 ARG 42 1HH2 ARG 42 -0.492 -12.911 12.075 304 2HH2 ARG 42 2HH2 ARG 42 -1.145 -11.866 13.298 305 H GLU 43 H GLU 43 -1.817 -9.360 4.253 306 HA GLU 43 HA GLU 43 -2.214 -12.189 3.705 307 1HB GLU 43 2HB GLU 43 -3.610 -9.810 2.470 308 2HB GLU 43 1HB GLU 43 -4.089 -11.493 2.319 309 1HG GLU 43 2HG GLU 43 -4.291 -11.444 4.880 310 2HG GLU 43 1HG GLU 43 -4.267 -9.691 4.699 311 H GLY 44 H GLY 44 -0.255 -9.729 2.578 312 1HA GLY 44 2HA GLY 44 1.461 -10.009 1.028 313 2HA GLY 44 1HA GLY 44 0.644 -11.440 0.416 314 H TYR 45 H TYR 45 -0.300 -8.015 0.728 315 HA TYR 45 HA TYR 45 -1.318 -8.044 -1.986 316 1HB TYR 45 2HB TYR 45 -1.276 -5.943 0.178 317 2HB TYR 45 1HB TYR 45 -1.839 -5.601 -1.455 318 HD1 TYR 45 HD1 TYR 45 -3.977 -6.349 -2.205 319 HD2 TYR 45 HD2 TYR 45 -2.511 -7.565 1.597 320 HE1 TYR 45 HE1 TYR 45 -6.200 -7.228 -1.633 321 HE2 TYR 45 HE2 TYR 45 -4.732 -8.439 2.179 322 HH TYR 45 HH TYR 45 -6.946 -8.396 1.584 323 H ILE 46 H ILE 46 1.362 -6.605 -0.197 324 HA ILE 46 HA ILE 46 2.655 -6.097 -2.777 325 HB ILE 46 HB ILE 46 3.630 -4.044 -2.099 326 1HG1 ILE 46 2HG1 ILE 46 4.020 -4.559 0.281 327 2HG1 ILE 46 1HG1 ILE 46 3.300 -2.973 0.057 328 1HG2 ILE 46 1HG2 ILE 46 1.409 -3.821 -2.997 329 2HG2 ILE 46 2HG2 ILE 46 1.681 -2.589 -1.765 330 3HG2 ILE 46 3HG2 ILE 46 0.708 -4.011 -1.390 331 1HD1 ILE 46 1HD1 ILE 46 1.141 -3.852 0.718 332 2HD1 ILE 46 2HD1 ILE 46 2.355 -4.124 1.964 333 3HD1 ILE 46 3HD1 ILE 46 1.848 -5.453 0.923 334 H ILE 47 H ILE 47 4.908 -6.298 -2.793 335 HA ILE 47 HA ILE 47 6.069 -7.613 -0.424 336 HB ILE 47 HB ILE 47 7.412 -9.023 -2.010 337 1HG1 ILE 47 2HG1 ILE 47 5.391 -7.999 -4.014 338 2HG1 ILE 47 1HG1 ILE 47 7.117 -7.659 -4.022 339 1HG2 ILE 47 1HG2 ILE 47 4.418 -9.386 -2.071 340 2HG2 ILE 47 2HG2 ILE 47 5.513 -9.941 -0.805 341 3HG2 ILE 47 3HG2 ILE 47 5.610 -10.639 -2.421 342 1HD1 ILE 47 1HD1 ILE 47 7.579 -10.021 -4.408 343 2HD1 ILE 47 2HD1 ILE 47 6.541 -9.344 -5.664 344 3HD1 ILE 47 3HD1 ILE 47 5.849 -10.359 -4.400 345 H GLY 48 H GLY 48 8.541 -7.615 -0.556 346 1HA GLY 48 2HA GLY 48 10.550 -6.549 -1.126 347 2HA GLY 48 1HA GLY 48 9.645 -5.410 -2.115 348 H VAL 49 H VAL 49 8.253 -5.788 0.913 349 HA VAL 49 HA VAL 49 9.008 -3.118 1.674 350 HB VAL 49 HB VAL 49 7.349 -5.126 3.213 351 1HG1 VAL 49 1HG1 VAL 49 7.626 -2.138 3.489 352 2HG1 VAL 49 2HG1 VAL 49 8.185 -3.357 4.633 353 3HG1 VAL 49 3HG1 VAL 49 6.458 -3.134 4.357 354 1HG2 VAL 49 1HG2 VAL 49 6.432 -2.917 1.372 355 2HG2 VAL 49 2HG2 VAL 49 5.399 -4.004 2.302 356 3HG2 VAL 49 3HG2 VAL 49 6.399 -4.639 0.997 357 H HIS 50 H HIS 50 10.660 -2.582 2.943 358 HA HIS 50 HA HIS 50 12.038 -4.707 4.411 359 1HB HIS 50 2HB HIS 50 13.447 -3.431 2.890 360 2HB HIS 50 1HB HIS 50 12.942 -1.921 3.642 361 HD1 HIS 50 HD1 HIS 50 14.749 -1.020 5.065 362 HD2 HIS 50 HD2 HIS 50 14.654 -5.176 5.147 363 HE1 HIS 50 HE1 HIS 50 16.571 -1.710 6.658 364 HE2 HIS 50 HE2 HIS 50 16.577 -4.232 6.596 365 H TYR 51 H TYR 51 11.807 -4.882 6.509 366 HA TYR 51 HA TYR 51 10.762 -2.627 8.070 367 1HB TYR 51 2HB TYR 51 11.001 -5.583 8.572 368 2HB TYR 51 1HB TYR 51 10.777 -4.465 9.909 369 HD1 TYR 51 HD1 TYR 51 8.708 -5.774 10.407 370 HD2 TYR 51 HD2 TYR 51 9.148 -3.552 6.802 371 HE1 TYR 51 HE1 TYR 51 6.272 -5.838 10.076 372 HE2 TYR 51 HE2 TYR 51 6.715 -3.611 6.467 373 HH TYR 51 HH TYR 51 4.536 -4.611 8.897 374 H SER 52 H SER 52 11.985 -1.587 9.575 375 HA SER 52 HA SER 52 14.801 -2.140 9.688 376 1HB SER 52 2HB SER 52 13.143 -0.231 11.357 377 2HB SER 52 1HB SER 52 14.906 -0.245 11.240 378 HG SER 52 HG SER 52 14.724 0.272 9.048 379 H ASP 53 H ASP 53 12.681 -1.645 12.456 380 HA ASP 53 HA ASP 53 13.625 -4.208 13.569 381 1HB ASP 53 2HB ASP 53 12.742 -1.675 14.969 382 2HB ASP 53 1HB ASP 53 12.944 -3.214 15.800 383 H ASP 54 H ASP 54 11.011 -2.338 12.502 384 HA ASP 54 HA ASP 54 9.099 -4.391 12.661 385 1HB ASP 54 2HB ASP 54 7.609 -3.575 14.370 386 2HB ASP 54 1HB ASP 54 9.199 -3.800 15.089 387 H ARG 55 H ARG 55 9.870 -0.987 12.310 388 HA ARG 55 HA ARG 55 7.383 -0.435 10.930 389 1HB ARG 55 2HB ARG 55 9.455 1.143 12.169 390 2HB ARG 55 1HB ARG 55 9.138 1.724 10.538 391 1HG ARG 55 2HG ARG 55 7.739 2.911 12.080 392 2HG ARG 55 1HG ARG 55 6.735 1.852 11.091 393 1HD ARG 55 2HD ARG 55 7.072 0.166 13.043 394 2HD ARG 55 1HD ARG 55 7.487 1.607 13.970 395 HE ARG 55 HE ARG 55 4.886 1.026 12.729 396 1HH1 ARG 55 1HH1 ARG 55 6.856 3.007 14.851 397 2HH1 ARG 55 2HH1 ARG 55 5.485 3.749 15.630 398 1HH2 ARG 55 1HH2 ARG 55 3.103 1.963 13.746 399 2HH2 ARG 55 2HH2 ARG 55 3.348 3.138 15.009 400 HA PRO 56 HA PRO 56 9.040 -1.247 6.897 401 1HB PRO 56 2HB PRO 56 6.784 0.063 5.715 402 2HB PRO 56 1HB PRO 56 7.050 -1.667 5.917 403 1HG PRO 56 2HG PRO 56 5.101 -0.211 7.223 404 2HG PRO 56 1HG PRO 56 5.748 -1.767 7.780 405 1HD PRO 56 2HD PRO 56 6.414 1.001 8.687 406 2HD PRO 56 1HD PRO 56 6.268 -0.495 9.634 407 H HIS 57 H HIS 57 10.158 -0.171 5.331 408 HA HIS 57 HA HIS 57 9.840 2.752 5.198 409 1HB HIS 57 2HB HIS 57 12.394 1.151 5.167 410 2HB HIS 57 1HB HIS 57 12.310 2.787 4.524 411 HD1 HIS 57 HD1 HIS 57 12.233 4.713 6.185 412 HD2 HIS 57 HD2 HIS 57 12.082 0.963 7.983 413 HE1 HIS 57 HE1 HIS 57 12.581 5.120 8.646 414 HE2 HIS 57 HE2 HIS 57 12.572 2.832 9.707 415 H LEU 58 H LEU 58 9.013 3.300 3.345 416 HA LEU 58 HA LEU 58 9.346 1.617 0.993 417 1HB LEU 58 2HB LEU 58 7.754 4.140 1.423 418 2HB LEU 58 1HB LEU 58 7.766 3.204 -0.060 419 HG LEU 58 HG LEU 58 6.713 2.300 2.622 420 1HD1 LEU 58 1HD1 LEU 58 4.561 2.272 1.500 421 2HD1 LEU 58 2HD1 LEU 58 5.313 2.827 0.005 422 3HD1 LEU 58 3HD1 LEU 58 5.277 3.882 1.420 423 1HD2 LEU 58 1HD2 LEU 58 6.022 0.262 1.465 424 2HD2 LEU 58 2HD2 LEU 58 7.777 0.444 1.451 425 3HD2 LEU 58 3HD2 LEU 58 6.841 0.811 0.002 426 H TYR 59 H TYR 59 10.942 1.912 -0.359 427 HA TYR 59 HA TYR 59 12.320 4.500 -0.438 428 1HB TYR 59 2HB TYR 59 13.204 1.908 -1.727 429 2HB TYR 59 1HB TYR 59 14.181 3.335 -1.403 430 HD1 TYR 59 HD1 TYR 59 14.184 4.016 1.208 431 HD2 TYR 59 HD2 TYR 59 13.511 0.108 -0.336 432 HE1 TYR 59 HE1 TYR 59 14.885 3.052 3.359 433 HE2 TYR 59 HE2 TYR 59 14.201 -0.867 1.812 434 HH TYR 59 HH TYR 59 15.785 -0.036 3.776 435 H LYS 60 H LYS 60 13.331 4.650 -2.919 436 HA LYS 60 HA LYS 60 11.061 5.220 -4.539 437 1HB LYS 60 2HB LYS 60 13.992 5.094 -5.268 438 2HB LYS 60 1HB LYS 60 12.726 5.774 -6.284 439 1HG LYS 60 2HG LYS 60 12.238 7.420 -4.506 440 2HG LYS 60 1HG LYS 60 13.593 6.773 -3.580 441 1HD LYS 60 2HD LYS 60 15.138 7.427 -5.321 442 2HD LYS 60 1HD LYS 60 13.806 7.968 -6.345 443 1HE LYS 60 2HE LYS 60 13.214 9.647 -4.645 444 2HE LYS 60 1HE LYS 60 14.585 9.125 -3.669 445 1HZ LYS 60 1HZ LYS 60 15.072 11.112 -4.982 446 2HZ LYS 60 2HZ LYS 60 14.776 10.249 -6.412 447 3HZ LYS 60 3HZ LYS 60 16.076 9.813 -5.410 448 H LEU 61 H LEU 61 13.175 2.509 -4.204 449 HA LEU 61 HA LEU 61 11.467 1.019 -6.074 450 1HB LEU 61 2HB LEU 61 14.454 0.722 -5.704 451 2HB LEU 61 1HB LEU 61 13.457 -0.450 -6.538 452 HG LEU 61 HG LEU 61 12.819 1.531 -8.088 453 1HD1 LEU 61 1HD1 LEU 61 13.804 3.308 -6.745 454 2HD1 LEU 61 2HD1 LEU 61 14.576 3.213 -8.326 455 3HD1 LEU 61 3HD1 LEU 61 15.396 2.564 -6.907 456 1HD2 LEU 61 1HD2 LEU 61 14.764 1.063 -9.499 457 2HD2 LEU 61 2HD2 LEU 61 14.109 -0.409 -8.784 458 3HD2 LEU 61 3HD2 LEU 61 15.576 0.312 -8.125 459 H GLY 62 H GLY 62 10.197 -0.053 -4.621 460 1HA GLY 62 2HA GLY 62 11.535 -1.862 -2.775 461 2HA GLY 62 1HA GLY 62 10.530 -0.623 -2.043 462 HA PRO 63 HA PRO 63 7.133 -3.249 -2.290 463 1HB PRO 63 2HB PRO 63 5.021 -1.612 -2.594 464 2HB PRO 63 1HB PRO 63 6.019 -1.613 -1.136 465 1HG PRO 63 2HG PRO 63 6.047 0.278 -3.450 466 2HG PRO 63 1HG PRO 63 6.213 0.621 -1.720 467 1HD PRO 63 2HD PRO 63 8.319 0.472 -3.479 468 2HD PRO 63 1HD PRO 63 8.453 0.191 -1.732 469 H GLU 64 H GLU 64 6.769 -4.681 -3.817 470 HA GLU 64 HA GLU 64 5.781 -3.839 -6.453 471 1HB GLU 64 2HB GLU 64 6.543 -6.596 -5.462 472 2HB GLU 64 1HB GLU 64 6.144 -6.167 -7.118 473 1HG GLU 64 2HG GLU 64 8.136 -4.776 -7.252 474 2HG GLU 64 1HG GLU 64 8.526 -5.164 -5.575 475 H LEU 65 H LEU 65 3.721 -4.455 -7.168 476 HA LEU 65 HA LEU 65 1.911 -5.252 -5.007 477 1HB LEU 65 2HB LEU 65 1.439 -3.941 -7.676 478 2HB LEU 65 1HB LEU 65 0.121 -4.636 -6.754 479 HG LEU 65 HG LEU 65 0.878 -3.110 -4.841 480 1HD1 LEU 65 1HD1 LEU 65 3.051 -2.491 -5.716 481 2HD1 LEU 65 2HD1 LEU 65 2.034 -1.065 -5.512 482 3HD1 LEU 65 3HD1 LEU 65 2.293 -1.740 -7.120 483 1HD2 LEU 65 1HD2 LEU 65 -1.176 -2.767 -6.083 484 2HD2 LEU 65 2HD2 LEU 65 -0.291 -1.919 -7.351 485 3HD2 LEU 65 3HD2 LEU 65 -0.399 -1.221 -5.735 486 H THR 66 H THR 66 0.776 -7.103 -5.002 487 HA THR 66 HA THR 66 1.585 -9.111 -6.959 488 HB THR 66 HB THR 66 0.645 -10.743 -5.394 489 HG1 THR 66 HG1 THR 66 0.008 -9.662 -3.251 490 1HG2 THR 66 1HG2 THR 66 2.946 -9.997 -5.015 491 2HG2 THR 66 2HG2 THR 66 2.142 -10.351 -3.486 492 3HG2 THR 66 3HG2 THR 66 2.358 -8.680 -4.002 493 H GLU 67 H GLU 67 -0.232 -10.841 -7.320 494 HA GLU 67 HA GLU 67 -2.285 -9.786 -8.895 495 1HB GLU 67 2HB GLU 67 -1.419 -12.130 -8.978 496 2HB GLU 67 1HB GLU 67 -2.244 -12.458 -7.463 497 1HG GLU 67 2HG GLU 67 -3.633 -13.325 -9.126 498 2HG GLU 67 1HG GLU 67 -4.380 -11.803 -8.643 499 H LYS 68 H LYS 68 -2.227 -10.769 -5.513 500 HA LYS 68 HA LYS 68 -4.963 -10.593 -4.935 501 1HB LYS 68 2HB LYS 68 -3.133 -11.572 -3.482 502 2HB LYS 68 1HB LYS 68 -2.698 -9.926 -3.048 503 1HG LYS 68 2HG LYS 68 -4.037 -10.830 -1.299 504 2HG LYS 68 1HG LYS 68 -5.000 -9.619 -2.146 505 1HD LYS 68 2HD LYS 68 -6.248 -11.298 -3.288 506 2HD LYS 68 1HD LYS 68 -5.149 -12.566 -2.749 507 1HE LYS 68 2HE LYS 68 -7.145 -12.699 -1.438 508 2HE LYS 68 1HE LYS 68 -5.847 -12.099 -0.411 509 1HZ LYS 68 1HZ LYS 68 -7.935 -10.898 -0.087 510 2HZ LYS 68 2HZ LYS 68 -7.909 -10.397 -1.709 511 3HZ LYS 68 3HZ LYS 68 -6.705 -9.875 -0.638 512 H GLY 69 H GLY 69 -2.399 -8.164 -4.893 513 1HA GLY 69 2HA GLY 69 -4.078 -6.093 -3.839 514 2HA GLY 69 1HA GLY 69 -2.466 -5.894 -4.510 515 H GLU 70 H GLU 70 -2.913 -6.982 -7.064 516 HA GLU 70 HA GLU 70 -3.882 -4.672 -8.369 517 1HB GLU 70 2HB GLU 70 -2.149 -6.286 -9.247 518 2HB GLU 70 1HB GLU 70 -3.470 -7.385 -9.630 519 1HG GLU 70 2HG GLU 70 -4.385 -5.872 -11.203 520 2HG GLU 70 1HG GLU 70 -3.307 -4.575 -10.687 521 H ASN 71 H ASN 71 -5.340 -7.790 -7.655 522 HA ASN 71 HA ASN 71 -7.704 -7.343 -9.195 523 1HB ASN 71 2HB ASN 71 -6.955 -9.288 -7.031 524 2HB ASN 71 1HB ASN 71 -8.612 -9.194 -7.622 525 1HD2 ASN 71 1HD2 ASN 71 -6.500 -11.290 -7.813 526 2HD2 ASN 71 2HD2 ASN 71 -6.382 -11.645 -9.504 527 H TYR 72 H TYR 72 -6.743 -6.694 -5.885 528 HA TYR 72 HA TYR 72 -9.331 -6.089 -4.908 529 1HB TYR 72 2HB TYR 72 -7.171 -6.612 -3.586 530 2HB TYR 72 1HB TYR 72 -6.798 -4.903 -3.795 531 HD1 TYR 72 HD1 TYR 72 -9.481 -7.167 -2.565 532 HD2 TYR 72 HD2 TYR 72 -7.622 -3.354 -2.246 533 HE1 TYR 72 HE1 TYR 72 -10.892 -6.651 -0.622 534 HE2 TYR 72 HE2 TYR 72 -9.031 -2.825 -0.296 535 HH TYR 72 HH TYR 72 -11.225 -3.534 0.640 536 H LEU 73 H LEU 73 -6.949 -4.304 -6.682 537 HA LEU 73 HA LEU 73 -7.824 -1.682 -6.239 538 1HB LEU 73 2HB LEU 73 -6.662 -2.898 -8.748 539 2HB LEU 73 1HB LEU 73 -6.823 -1.180 -8.450 540 HG LEU 73 HG LEU 73 -5.106 -3.065 -6.830 541 1HD1 LEU 73 1HD1 LEU 73 -4.254 -2.734 -9.103 542 2HD1 LEU 73 2HD1 LEU 73 -3.221 -1.960 -7.901 543 3HD1 LEU 73 3HD1 LEU 73 -4.325 -0.987 -8.873 544 1HD2 LEU 73 1HD2 LEU 73 -5.912 -1.203 -5.502 545 2HD2 LEU 73 2HD2 LEU 73 -5.397 -0.066 -6.749 546 3HD2 LEU 73 3HD2 LEU 73 -4.194 -1.000 -5.858 547 H LYS 74 H LYS 74 -8.947 -4.144 -8.520 548 HA LYS 74 HA LYS 74 -10.741 -2.417 -9.894 549 1HB LYS 74 2HB LYS 74 -9.872 -4.507 -10.896 550 2HB LYS 74 1HB LYS 74 -10.780 -5.438 -9.711 551 1HG LYS 74 2HG LYS 74 -12.856 -4.314 -10.607 552 2HG LYS 74 1HG LYS 74 -11.853 -3.718 -11.927 553 1HD LYS 74 2HD LYS 74 -11.324 -5.980 -12.596 554 2HD LYS 74 1HD LYS 74 -12.214 -6.626 -11.214 555 1HE LYS 74 2HE LYS 74 -14.253 -5.465 -12.129 556 2HE LYS 74 1HE LYS 74 -13.318 -5.123 -13.582 557 1HZ LYS 74 1HZ LYS 74 -13.097 -7.440 -14.015 558 2HZ LYS 74 2HZ LYS 74 -14.741 -7.126 -13.727 559 3HZ LYS 74 3HZ LYS 74 -13.791 -7.855 -12.523 560 H GLU 75 H GLU 75 -11.088 -4.724 -7.235 561 HA GLU 75 HA GLU 75 -13.914 -4.534 -7.113 562 1HB GLU 75 2HB GLU 75 -11.866 -5.573 -5.171 563 2HB GLU 75 1HB GLU 75 -13.591 -5.591 -4.822 564 1HG GLU 75 2HG GLU 75 -12.164 -7.000 -7.061 565 2HG GLU 75 1HG GLU 75 -12.979 -7.729 -5.676 566 H ASN 76 H ASN 76 -11.333 -2.952 -5.243 567 HA ASN 76 HA ASN 76 -13.334 -1.380 -3.840 568 1HB ASN 76 2HB ASN 76 -10.436 -1.851 -3.491 569 2HB ASN 76 1HB ASN 76 -11.015 -0.249 -3.042 570 1HD2 ASN 76 1HD2 ASN 76 -10.814 -0.449 -0.876 571 2HD2 ASN 76 2HD2 ASN 76 -11.745 -1.549 0.092 572 H GLY 77 H GLY 77 -12.098 -1.208 -6.834 573 1HA GLY 77 2HA GLY 77 -11.507 1.510 -7.191 574 2HA GLY 77 1HA GLY 77 -12.172 0.446 -8.422 575 H THR 78 H THR 78 -14.415 0.102 -6.218 576 HA THR 78 HA THR 78 -16.156 2.133 -7.297 577 HB THR 78 HB THR 78 -17.057 -0.101 -6.913 578 HG1 THR 78 HG1 THR 78 -18.087 2.115 -5.557 579 1HG2 THR 78 1HG2 THR 78 -15.670 -0.770 -5.020 580 2HG2 THR 78 2HG2 THR 78 -17.379 -0.964 -4.634 581 3HG2 THR 78 3HG2 THR 78 -16.483 0.411 -3.993 582 H TRP 79 H TRP 79 -13.877 2.161 -4.924 583 HA TRP 79 HA TRP 79 -15.222 3.565 -2.840 584 1HB TRP 79 2HB TRP 79 -13.106 2.292 -2.510 585 2HB TRP 79 1HB TRP 79 -12.259 3.492 -3.481 586 HD1 TRP 79 HD1 TRP 79 -14.485 3.566 -0.285 587 HE1 TRP 79 HE1 TRP 79 -13.426 5.231 1.369 588 HE3 TRP 79 HE3 TRP 79 -10.521 5.115 -3.116 589 HZ2 TRP 79 HZ2 TRP 79 -11.196 6.969 1.465 590 HZ3 TRP 79 HZ3 TRP 79 -8.973 6.776 -2.174 591 HH2 TRP 79 HH2 TRP 79 -9.304 7.684 0.068 592 H SER 80 H SER 80 -14.754 5.790 -2.228 593 HA SER 80 HA SER 80 -14.993 7.994 -2.556 594 1HB SER 80 2HB SER 80 -13.533 9.151 -4.061 595 2HB SER 80 1HB SER 80 -12.636 7.785 -3.407 596 HG SER 80 HG SER 80 -13.474 6.712 -5.459 597 H LYS 81 H LYS 81 -15.810 9.706 -4.103 598 HA LYS 81 HA LYS 81 -17.279 10.520 -5.630 599 1HB LYS 81 2HB LYS 81 -17.235 7.773 -6.882 600 2HB LYS 81 1HB LYS 81 -17.838 9.245 -7.624 601 1HG LYS 81 2HG LYS 81 -15.626 10.176 -7.708 602 2HG LYS 81 1HG LYS 81 -14.977 8.812 -6.796 603 1HD LYS 81 2HD LYS 81 -15.612 7.304 -8.625 604 2HD LYS 81 1HD LYS 81 -16.234 8.679 -9.536 605 1HE LYS 81 2HE LYS 81 -14.025 8.095 -10.329 606 2HE LYS 81 1HE LYS 81 -13.987 9.673 -9.543 607 1HZ LYS 81 1HZ LYS 81 -12.097 8.297 -8.914 608 2HZ LYS 81 2HZ LYS 81 -13.138 7.107 -8.301 609 3HZ LYS 81 3HZ LYS 81 -13.070 8.637 -7.566 610 H ALA 82 H ALA 82 -18.058 7.463 -4.116 611 HA ALA 82 HA ALA 82 -20.837 7.478 -4.796 612 1HB ALA 82 1HB ALA 82 -19.596 5.405 -4.483 613 2HB ALA 82 2HB ALA 82 -20.977 5.498 -3.390 614 3HB ALA 82 3HB ALA 82 -19.349 5.804 -2.783 Start of MODEL 20 1 H LYS 5 H LYS 5 -7.865 1.784 6.940 2 HA LYS 5 HA LYS 5 -10.093 0.958 5.225 3 1HB LYS 5 2HB LYS 5 -10.939 3.318 5.746 4 2HB LYS 5 1HB LYS 5 -10.956 2.148 7.059 5 1HG LYS 5 2HG LYS 5 -8.994 3.110 8.032 6 2HG LYS 5 1HG LYS 5 -8.758 4.160 6.636 7 1HD LYS 5 2HD LYS 5 -10.828 5.342 7.166 8 2HD LYS 5 1HD LYS 5 -11.098 4.271 8.544 9 1HE LYS 5 2HE LYS 5 -9.070 5.075 9.601 10 2HE LYS 5 1HE LYS 5 -8.699 6.070 8.198 11 1HZ LYS 5 1HZ LYS 5 -11.146 6.416 9.844 12 2HZ LYS 5 2HZ LYS 5 -10.541 7.465 8.651 13 3HZ LYS 5 3HZ LYS 5 -9.704 7.269 10.113 14 H LEU 6 H LEU 6 -7.066 2.504 5.133 15 HA LEU 6 HA LEU 6 -7.759 3.996 2.700 16 1HB LEU 6 2HB LEU 6 -5.431 4.162 4.591 17 2HB LEU 6 1HB LEU 6 -5.330 4.843 2.981 18 HG LEU 6 HG LEU 6 -5.861 6.623 4.437 19 1HD1 LEU 6 1HD1 LEU 6 -8.403 5.733 3.094 20 2HD1 LEU 6 2HD1 LEU 6 -7.095 6.655 2.351 21 3HD1 LEU 6 3HD1 LEU 6 -8.047 7.367 3.654 22 1HD2 LEU 6 1HD2 LEU 6 -6.593 5.355 6.363 23 2HD2 LEU 6 2HD2 LEU 6 -8.082 4.909 5.534 24 3HD2 LEU 6 3HD2 LEU 6 -7.781 6.594 5.960 25 H ARG 7 H ARG 7 -6.964 1.023 3.389 26 HA ARG 7 HA ARG 7 -4.646 0.223 2.262 27 1HB ARG 7 2HB ARG 7 -5.611 -1.580 3.088 28 2HB ARG 7 1HB ARG 7 -7.229 -0.968 2.845 29 1HG ARG 7 2HG ARG 7 -6.904 -1.670 0.394 30 2HG ARG 7 1HG ARG 7 -5.502 -2.570 0.985 31 1HD ARG 7 2HD ARG 7 -8.393 -3.032 1.439 32 2HD ARG 7 1HD ARG 7 -7.086 -4.191 1.201 33 HE ARG 7 HE ARG 7 -6.501 -3.148 3.627 34 1HH1 ARG 7 1HH1 ARG 7 -9.433 -4.502 2.263 35 2HH1 ARG 7 2HH1 ARG 7 -10.064 -5.006 3.797 36 1HH2 ARG 7 1HH2 ARG 7 -7.345 -3.775 5.641 37 2HH2 ARG 7 2HH2 ARG 7 -8.876 -4.594 5.730 38 H TYR 8 H TYR 8 -7.681 0.666 0.395 39 HA TYR 8 HA TYR 8 -6.561 -0.188 -2.043 40 1HB TYR 8 2HB TYR 8 -8.957 -0.072 -1.851 41 2HB TYR 8 1HB TYR 8 -8.895 1.661 -1.530 42 HD1 TYR 8 HD1 TYR 8 -9.261 3.121 -3.289 43 HD2 TYR 8 HD2 TYR 8 -7.864 -0.802 -4.144 44 HE1 TYR 8 HE1 TYR 8 -9.418 3.596 -5.693 45 HE2 TYR 8 HE2 TYR 8 -8.018 -0.338 -6.550 46 HH TYR 8 HH TYR 8 -9.154 1.152 -8.070 47 H ALA 9 H ALA 9 -6.916 3.048 -0.651 48 HA ALA 9 HA ALA 9 -5.895 4.469 -2.853 49 1HB ALA 9 1HB ALA 9 -5.607 6.330 -1.341 50 2HB ALA 9 2HB ALA 9 -5.752 5.260 0.054 51 3HB ALA 9 3HB ALA 9 -7.140 5.525 -1.004 52 H ILE 10 H ILE 10 -4.321 3.221 0.073 53 HA ILE 10 HA ILE 10 -1.744 4.140 -0.436 54 HB ILE 10 HB ILE 10 -2.560 1.561 0.916 55 1HG1 ILE 10 2HG1 ILE 10 -1.925 4.292 2.057 56 2HG1 ILE 10 1HG1 ILE 10 -3.534 3.590 1.928 57 1HG2 ILE 10 1HG2 ILE 10 -0.369 1.655 2.010 58 2HG2 ILE 10 2HG2 ILE 10 0.052 3.065 1.038 59 3HG2 ILE 10 3HG2 ILE 10 -0.216 1.506 0.259 60 1HD1 ILE 10 1HD1 ILE 10 -2.672 3.416 4.188 61 2HD1 ILE 10 2HD1 ILE 10 -1.269 2.523 3.597 62 3HD1 ILE 10 3HD1 ILE 10 -2.881 1.817 3.471 63 H LEU 11 H LEU 11 -3.298 1.105 -1.452 64 HA LEU 11 HA LEU 11 -1.126 -0.061 -2.731 65 1HB LEU 11 2HB LEU 11 -4.051 -0.236 -3.454 66 2HB LEU 11 1HB LEU 11 -2.806 -1.296 -4.081 67 HG LEU 11 HG LEU 11 -3.616 -1.082 -1.181 68 1HD1 LEU 11 1HD1 LEU 11 -4.147 -3.239 -3.221 69 2HD1 LEU 11 2HD1 LEU 11 -5.340 -2.127 -2.547 70 3HD1 LEU 11 3HD1 LEU 11 -4.556 -3.315 -1.506 71 1HD2 LEU 11 1HD2 LEU 11 -2.180 -3.024 -0.853 72 2HD2 LEU 11 2HD2 LEU 11 -1.255 -1.649 -1.457 73 3HD2 LEU 11 3HD2 LEU 11 -1.695 -2.963 -2.549 74 H LYS 12 H LYS 12 -3.602 2.118 -4.122 75 HA LYS 12 HA LYS 12 -2.361 1.946 -6.706 76 1HB LYS 12 2HB LYS 12 -4.082 3.592 -7.417 77 2HB LYS 12 1HB LYS 12 -4.737 2.138 -6.688 78 1HG LYS 12 2HG LYS 12 -6.051 3.764 -5.751 79 2HG LYS 12 1HG LYS 12 -4.804 3.579 -4.519 80 1HD LYS 12 2HD LYS 12 -5.311 5.938 -4.982 81 2HD LYS 12 1HD LYS 12 -3.638 5.529 -5.365 82 1HE LYS 12 2HE LYS 12 -4.266 5.300 -7.736 83 2HE LYS 12 1HE LYS 12 -5.912 5.780 -7.329 84 1HZ LYS 12 1HZ LYS 12 -3.575 7.495 -6.722 85 2HZ LYS 12 2HZ LYS 12 -5.215 7.931 -6.777 86 3HZ LYS 12 3HZ LYS 12 -4.386 7.570 -8.212 87 H GLU 13 H GLU 13 -2.236 4.221 -4.027 88 HA GLU 13 HA GLU 13 -0.873 6.248 -5.525 89 1HB GLU 13 2HB GLU 13 -1.009 5.795 -2.534 90 2HB GLU 13 1HB GLU 13 -0.307 7.212 -3.300 91 1HG GLU 13 2HG GLU 13 -3.180 6.379 -3.628 92 2HG GLU 13 1HG GLU 13 -2.616 7.527 -2.420 93 H ILE 14 H ILE 14 0.072 3.331 -3.900 94 HA ILE 14 HA ILE 14 2.895 3.835 -4.059 95 HB ILE 14 HB ILE 14 1.305 1.285 -3.731 96 1HG1 ILE 14 2HG1 ILE 14 3.133 2.789 -1.846 97 2HG1 ILE 14 1HG1 ILE 14 1.374 2.798 -1.793 98 1HG2 ILE 14 1HG2 ILE 14 3.389 0.096 -3.352 99 2HG2 ILE 14 2HG2 ILE 14 4.307 1.557 -3.714 100 3HG2 ILE 14 3HG2 ILE 14 3.353 0.782 -4.976 101 1HD1 ILE 14 1HD1 ILE 14 3.139 0.398 -1.358 102 2HD1 ILE 14 2HD1 ILE 14 1.377 0.407 -1.301 103 3HD1 ILE 14 3HD1 ILE 14 2.303 1.318 -0.106 104 H PHE 15 H PHE 15 0.559 1.980 -5.952 105 HA PHE 15 HA PHE 15 2.245 0.944 -7.892 106 1HB PHE 15 2HB PHE 15 -0.131 0.297 -7.473 107 2HB PHE 15 1HB PHE 15 -0.640 1.791 -8.250 108 HD1 PHE 15 HD1 PHE 15 -0.947 1.879 -10.549 109 HD2 PHE 15 HD2 PHE 15 1.221 -1.360 -8.848 110 HE1 PHE 15 HE1 PHE 15 -0.950 0.738 -12.727 111 HE2 PHE 15 HE2 PHE 15 1.226 -2.506 -11.023 112 HZ PHE 15 HZ PHE 15 0.136 -1.457 -12.968 113 H GLU 16 H GLU 16 0.554 4.062 -7.837 114 HA GLU 16 HA GLU 16 1.747 4.745 -10.418 115 1HB GLU 16 2HB GLU 16 -0.264 6.253 -8.745 116 2HB GLU 16 1HB GLU 16 0.269 6.701 -10.360 117 1HG GLU 16 2HG GLU 16 -0.647 4.556 -11.198 118 2HG GLU 16 1HG GLU 16 -1.282 4.243 -9.583 119 H GLY 17 H GLY 17 2.091 5.433 -7.045 120 1HA GLY 17 2HA GLY 17 3.395 7.985 -7.452 121 2HA GLY 17 1HA GLY 17 3.139 7.176 -5.916 122 H ASN 18 H ASN 18 4.395 4.712 -7.307 123 HA ASN 18 HA ASN 18 6.438 3.790 -7.751 124 1HB ASN 18 2HB ASN 18 6.969 5.764 -9.125 125 2HB ASN 18 1HB ASN 18 7.503 6.626 -7.688 126 1HD2 ASN 18 1HD2 ASN 18 9.478 6.078 -6.744 127 2HD2 ASN 18 2HD2 ASN 18 10.653 5.118 -7.570 128 H THR 19 H THR 19 5.678 5.621 -5.069 129 HA THR 19 HA THR 19 6.329 5.827 -2.940 130 HB THR 19 HB THR 19 7.529 3.891 -1.849 131 HG1 THR 19 HG1 THR 19 8.040 3.194 -4.350 132 1HG2 THR 19 1HG2 THR 19 5.118 4.104 -1.823 133 2HG2 THR 19 2HG2 THR 19 5.587 2.413 -1.995 134 3HG2 THR 19 3HG2 THR 19 5.013 3.317 -3.397 135 HA PRO 20 HA PRO 20 7.509 5.303 -0.813 136 1HB PRO 20 2HB PRO 20 8.528 7.597 0.622 137 2HB PRO 20 1HB PRO 20 8.835 5.887 0.920 138 1HG PRO 20 2HG PRO 20 10.729 7.645 0.025 139 2HG PRO 20 1HG PRO 20 10.774 5.898 -0.274 140 1HD PRO 20 2HD PRO 20 9.913 8.113 -2.090 141 2HD PRO 20 1HD PRO 20 10.824 6.634 -2.463 142 H LEU 21 H LEU 21 5.733 6.303 0.337 143 HA LEU 21 HA LEU 21 4.924 8.925 -0.711 144 1HB LEU 21 2HB LEU 21 2.611 8.283 -0.720 145 2HB LEU 21 1HB LEU 21 3.519 7.154 -1.702 146 HG LEU 21 HG LEU 21 2.687 6.544 1.135 147 1HD1 LEU 21 1HD1 LEU 21 0.699 6.976 -0.220 148 2HD1 LEU 21 2HD1 LEU 21 0.842 5.266 0.183 149 3HD1 LEU 21 3HD1 LEU 21 1.272 5.830 -1.432 150 1HD2 LEU 21 1HD2 LEU 21 3.058 4.231 0.445 151 2HD2 LEU 21 2HD2 LEU 21 4.524 5.197 0.259 152 3HD2 LEU 21 3HD2 LEU 21 3.554 4.784 -1.155 153 H SER 22 H SER 22 4.792 10.391 0.832 154 HA SER 22 HA SER 22 5.187 9.649 3.548 155 1HB SER 22 2HB SER 22 4.407 12.377 2.526 156 2HB SER 22 1HB SER 22 5.301 11.991 3.995 157 HG SER 22 HG SER 22 6.465 12.694 1.921 158 H GLU 23 H GLU 23 3.841 10.313 5.328 159 HA GLU 23 HA GLU 23 1.210 9.276 4.949 160 1HB GLU 23 2HB GLU 23 0.949 9.729 7.426 161 2HB GLU 23 1HB GLU 23 2.259 8.651 6.978 162 1HG GLU 23 2HG GLU 23 2.605 11.561 7.681 163 2HG GLU 23 1HG GLU 23 2.827 10.225 8.792 164 H ASN 24 H ASN 24 2.554 12.457 5.634 165 HA ASN 24 HA ASN 24 0.010 13.734 5.911 166 1HB ASN 24 2HB ASN 24 1.232 15.806 5.962 167 2HB ASN 24 1HB ASN 24 2.156 14.619 6.880 168 1HD2 ASN 24 1HD2 ASN 24 2.092 16.677 4.126 169 2HD2 ASN 24 2HD2 ASN 24 3.714 16.378 3.591 170 H ASP 25 H ASP 25 1.879 12.701 3.249 171 HA ASP 25 HA ASP 25 0.826 14.623 1.367 172 1HB ASP 25 2HB ASP 25 3.095 13.602 1.118 173 2HB ASP 25 1HB ASP 25 2.324 12.050 0.810 174 H ILE 26 H ILE 26 0.373 11.177 2.086 175 HA ILE 26 HA ILE 26 -1.682 10.858 0.123 176 HB ILE 26 HB ILE 26 -0.240 8.989 0.827 177 1HG1 ILE 26 2HG1 ILE 26 -2.668 8.696 -0.053 178 2HG1 ILE 26 1HG1 ILE 26 -1.835 7.302 0.623 179 1HG2 ILE 26 1HG2 ILE 26 -0.011 9.488 3.175 180 2HG2 ILE 26 2HG2 ILE 26 -0.615 7.847 2.957 181 3HG2 ILE 26 3HG2 ILE 26 -1.718 9.133 3.443 182 1HD1 ILE 26 1HD1 ILE 26 -4.153 7.408 1.349 183 2HD1 ILE 26 2HD1 ILE 26 -3.872 9.000 2.054 184 3HD1 ILE 26 3HD1 ILE 26 -3.052 7.584 2.716 185 H GLY 27 H GLY 27 -1.626 11.472 3.611 186 1HA GLY 27 2HA GLY 27 -3.383 13.020 4.371 187 2HA GLY 27 1HA GLY 27 -4.509 12.088 3.401 188 H VAL 28 H VAL 28 -2.021 10.668 5.449 189 HA VAL 28 HA VAL 28 -4.044 9.995 7.460 190 HB VAL 28 HB VAL 28 -3.263 7.669 7.602 191 1HG1 VAL 28 1HG1 VAL 28 -4.281 8.439 4.875 192 2HG1 VAL 28 2HG1 VAL 28 -5.252 8.106 6.310 193 3HG1 VAL 28 3HG1 VAL 28 -4.319 6.812 5.555 194 1HG2 VAL 28 1HG2 VAL 28 -1.031 7.890 6.709 195 2HG2 VAL 28 2HG2 VAL 28 -1.671 8.324 5.126 196 3HG2 VAL 28 3HG2 VAL 28 -1.926 6.700 5.766 197 H THR 29 H THR 29 -2.905 8.894 9.384 198 HA THR 29 HA THR 29 -0.462 10.319 9.980 199 HB THR 29 HB THR 29 -1.785 10.275 11.851 200 HG1 THR 29 HG1 THR 29 0.331 9.489 12.364 201 1HG2 THR 29 1HG2 THR 29 -2.973 8.303 12.723 202 2HG2 THR 29 2HG2 THR 29 -2.373 7.360 11.357 203 3HG2 THR 29 3HG2 THR 29 -3.476 8.711 11.082 204 H GLU 30 H GLU 30 1.421 9.271 10.728 205 HA GLU 30 HA GLU 30 2.274 7.282 8.884 206 1HB GLU 30 2HB GLU 30 4.426 7.391 10.163 207 2HB GLU 30 1HB GLU 30 3.854 8.934 9.550 208 1HG GLU 30 2HG GLU 30 3.314 8.063 12.365 209 2HG GLU 30 1HG GLU 30 4.818 8.851 11.907 210 H ASP 31 H ASP 31 1.129 7.195 12.166 211 HA ASP 31 HA ASP 31 2.125 4.636 12.865 212 1HB ASP 31 2HB ASP 31 1.300 6.252 14.534 213 2HB ASP 31 1HB ASP 31 -0.331 6.071 13.901 214 H GLN 32 H GLN 32 -0.927 5.722 11.445 215 HA GLN 32 HA GLN 32 -1.923 3.032 11.178 216 1HB GLN 32 2HB GLN 32 -2.919 5.747 10.501 217 2HB GLN 32 1HB GLN 32 -3.553 4.411 9.554 218 1HG GLN 32 2HG GLN 32 -4.960 5.016 11.484 219 2HG GLN 32 1HG GLN 32 -4.403 3.342 11.524 220 1HE2 GLN 32 1HE2 GLN 32 -2.881 2.723 13.065 221 2HE2 GLN 32 2HE2 GLN 32 -2.512 3.697 14.448 222 H PHE 33 H PHE 33 0.040 5.173 9.359 223 HA PHE 33 HA PHE 33 -0.340 4.074 6.785 224 1HB PHE 33 2HB PHE 33 0.776 6.229 7.133 225 2HB PHE 33 1HB PHE 33 2.093 5.425 7.979 226 HD1 PHE 33 HD1 PHE 33 0.463 5.857 4.704 227 HD2 PHE 33 HD2 PHE 33 3.864 4.393 6.800 228 HE1 PHE 33 HE1 PHE 33 1.649 5.569 2.570 229 HE2 PHE 33 HE2 PHE 33 5.057 4.101 4.669 230 HZ PHE 33 HZ PHE 33 3.948 4.690 2.552 231 H ASP 34 H ASP 34 2.216 3.485 9.224 232 HA ASP 34 HA ASP 34 3.359 1.343 7.743 233 1HB ASP 34 2HB ASP 34 4.848 1.035 9.544 234 2HB ASP 34 1HB ASP 34 4.503 2.759 9.547 235 H ASP 35 H ASP 35 0.942 1.550 10.263 236 HA ASP 35 HA ASP 35 0.696 -1.166 10.891 237 1HB ASP 35 2HB ASP 35 -0.373 0.541 12.230 238 2HB ASP 35 1HB ASP 35 -1.370 1.038 10.870 239 H ALA 36 H ALA 36 -1.075 0.769 8.485 240 HA ALA 36 HA ALA 36 -2.665 -1.306 7.476 241 1HB ALA 36 1HB ALA 36 -3.097 1.071 7.056 242 2HB ALA 36 2HB ALA 36 -3.054 0.135 5.563 243 3HB ALA 36 3HB ALA 36 -1.676 1.138 6.014 244 H VAL 37 H VAL 37 0.505 -0.102 6.409 245 HA VAL 37 HA VAL 37 0.807 -1.711 4.150 246 HB VAL 37 HB VAL 37 2.946 -0.695 6.038 247 1HG1 VAL 37 1HG1 VAL 37 4.504 -1.013 4.155 248 2HG1 VAL 37 2HG1 VAL 37 3.221 -1.817 3.250 249 3HG1 VAL 37 3HG1 VAL 37 3.835 -2.537 4.738 250 1HG2 VAL 37 1HG2 VAL 37 1.622 1.079 5.031 251 2HG2 VAL 37 2HG2 VAL 37 1.898 0.401 3.427 252 3HG2 VAL 37 3HG2 VAL 37 3.248 1.064 4.348 253 H ASN 38 H ASN 38 1.551 -2.394 7.544 254 HA ASN 38 HA ASN 38 2.707 -4.939 7.057 255 1HB ASN 38 2HB ASN 38 1.612 -3.592 9.506 256 2HB ASN 38 1HB ASN 38 2.092 -5.286 9.555 257 1HD2 ASN 38 1HD2 ASN 38 3.238 -2.976 10.932 258 2HD2 ASN 38 2HD2 ASN 38 4.899 -2.923 10.454 259 H PHE 39 H PHE 39 -0.585 -3.883 7.785 260 HA PHE 39 HA PHE 39 -1.692 -6.483 7.997 261 1HB PHE 39 2HB PHE 39 -2.833 -4.437 8.812 262 2HB PHE 39 1HB PHE 39 -3.062 -3.919 7.146 263 HD1 PHE 39 HD1 PHE 39 -4.101 -6.288 9.732 264 HD2 PHE 39 HD2 PHE 39 -4.725 -4.963 5.732 265 HE1 PHE 39 HE1 PHE 39 -6.210 -7.551 9.650 266 HE2 PHE 39 HE2 PHE 39 -6.837 -6.227 5.646 267 HZ PHE 39 HZ PHE 39 -7.582 -7.520 7.601 268 H LEU 40 H LEU 40 -1.256 -4.242 5.313 269 HA LEU 40 HA LEU 40 -2.587 -5.689 3.323 270 1HB LEU 40 2HB LEU 40 -0.215 -3.834 3.144 271 2HB LEU 40 1HB LEU 40 -1.083 -4.446 1.747 272 HG LEU 40 HG LEU 40 -2.294 -2.742 3.924 273 1HD1 LEU 40 1HD1 LEU 40 -2.335 -0.979 2.247 274 2HD1 LEU 40 2HD1 LEU 40 -1.492 -2.031 1.110 275 3HD1 LEU 40 3HD1 LEU 40 -0.684 -1.497 2.582 276 1HD2 LEU 40 1HD2 LEU 40 -4.200 -2.593 2.408 277 2HD2 LEU 40 2HD2 LEU 40 -3.889 -4.261 2.887 278 3HD2 LEU 40 3HD2 LEU 40 -3.400 -3.696 1.290 279 H LYS 41 H LYS 41 0.721 -5.915 4.522 280 HA LYS 41 HA LYS 41 1.570 -7.815 2.583 281 1HB LYS 41 2HB LYS 41 3.043 -6.336 4.067 282 2HB LYS 41 1HB LYS 41 2.746 -7.513 5.342 283 1HG LYS 41 2HG LYS 41 3.655 -9.274 3.824 284 2HG LYS 41 1HG LYS 41 4.101 -7.992 2.699 285 1HD LYS 41 2HD LYS 41 6.041 -8.482 3.966 286 2HD LYS 41 1HD LYS 41 5.413 -6.953 4.587 287 1HE LYS 41 2HE LYS 41 4.367 -8.132 6.448 288 2HE LYS 41 1HE LYS 41 4.952 -9.671 5.814 289 1HZ LYS 41 1HZ LYS 41 6.427 -9.006 7.512 290 2HZ LYS 41 2HZ LYS 41 6.560 -7.433 6.904 291 3HZ LYS 41 3HZ LYS 41 7.241 -8.728 6.051 292 H ARG 42 H ARG 42 0.179 -8.032 5.817 293 HA ARG 42 HA ARG 42 0.377 -10.780 6.252 294 1HB ARG 42 2HB ARG 42 -1.707 -8.775 7.080 295 2HB ARG 42 1HB ARG 42 -1.831 -10.466 7.533 296 1HG ARG 42 2HG ARG 42 0.377 -10.265 8.653 297 2HG ARG 42 1HG ARG 42 0.343 -8.532 8.302 298 1HD ARG 42 2HD ARG 42 -1.685 -8.266 9.580 299 2HD ARG 42 1HD ARG 42 -1.799 -10.007 9.830 300 HE ARG 42 HE ARG 42 0.585 -8.687 10.861 301 1HH1 ARG 42 1HH1 ARG 42 -2.605 -9.995 11.514 302 2HH1 ARG 42 2HH1 ARG 42 -2.342 -10.107 13.225 303 1HH2 ARG 42 1HH2 ARG 42 0.934 -8.845 13.122 304 2HH2 ARG 42 2HH2 ARG 42 -0.342 -9.456 14.139 305 H GLU 43 H GLU 43 -2.269 -8.956 4.734 306 HA GLU 43 HA GLU 43 -3.781 -11.296 4.140 307 1HB GLU 43 2HB GLU 43 -4.567 -8.830 4.400 308 2HB GLU 43 1HB GLU 43 -4.122 -8.679 2.708 309 1HG GLU 43 2HG GLU 43 -6.495 -9.134 2.975 310 2HG GLU 43 1HG GLU 43 -5.680 -10.444 2.116 311 H GLY 44 H GLY 44 -1.468 -9.323 2.394 312 1HA GLY 44 2HA GLY 44 -0.016 -10.334 0.786 313 2HA GLY 44 1HA GLY 44 -1.299 -11.466 0.389 314 H TYR 45 H TYR 45 -1.387 -7.920 0.637 315 HA TYR 45 HA TYR 45 -2.430 -7.828 -2.093 316 1HB TYR 45 2HB TYR 45 -2.232 -5.723 0.063 317 2HB TYR 45 1HB TYR 45 -2.803 -5.391 -1.568 318 HD1 TYR 45 HD1 TYR 45 -4.757 -6.995 -2.373 319 HD2 TYR 45 HD2 TYR 45 -3.804 -6.178 1.687 320 HE1 TYR 45 HE1 TYR 45 -7.048 -7.606 -1.720 321 HE2 TYR 45 HE2 TYR 45 -6.090 -6.788 2.355 322 HH TYR 45 HH TYR 45 -8.264 -8.364 0.244 323 H ILE 46 H ILE 46 0.324 -6.782 -0.182 324 HA ILE 46 HA ILE 46 1.756 -6.235 -2.667 325 HB ILE 46 HB ILE 46 2.930 -4.316 -1.371 326 1HG1 ILE 46 2HG1 ILE 46 1.139 -3.059 0.013 327 2HG1 ILE 46 1HG1 ILE 46 0.361 -4.629 0.166 328 1HG2 ILE 46 1HG2 ILE 46 1.362 -2.690 -2.290 329 2HG2 ILE 46 2HG2 ILE 46 0.157 -3.963 -2.485 330 3HG2 ILE 46 3HG2 ILE 46 1.656 -4.019 -3.411 331 1HD1 ILE 46 1HD1 ILE 46 3.138 -3.924 1.079 332 2HD1 ILE 46 2HD1 ILE 46 2.387 -5.513 1.213 333 3HD1 ILE 46 3HD1 ILE 46 1.718 -4.144 2.103 334 H ILE 47 H ILE 47 4.044 -6.398 -2.503 335 HA ILE 47 HA ILE 47 5.054 -7.646 -0.044 336 HB ILE 47 HB ILE 47 6.397 -9.254 -1.303 337 1HG1 ILE 47 2HG1 ILE 47 6.443 -7.904 -3.447 338 2HG1 ILE 47 1HG1 ILE 47 6.220 -9.636 -3.640 339 1HG2 ILE 47 1HG2 ILE 47 4.279 -10.005 -0.433 340 2HG2 ILE 47 2HG2 ILE 47 4.612 -10.796 -1.974 341 3HG2 ILE 47 3HG2 ILE 47 3.456 -9.468 -1.898 342 1HD1 ILE 47 1HD1 ILE 47 4.046 -7.559 -3.788 343 2HD1 ILE 47 2HD1 ILE 47 3.840 -9.295 -4.014 344 3HD1 ILE 47 3HD1 ILE 47 4.806 -8.365 -5.158 345 H GLY 48 H GLY 48 7.468 -7.624 0.027 346 1HA GLY 48 2HA GLY 48 9.539 -6.641 -0.544 347 2HA GLY 48 1HA GLY 48 8.698 -5.581 -1.670 348 H VAL 49 H VAL 49 7.579 -6.042 1.576 349 HA VAL 49 HA VAL 49 7.654 -3.246 2.120 350 HB VAL 49 HB VAL 49 7.095 -5.583 3.955 351 1HG1 VAL 49 1HG1 VAL 49 6.580 -2.639 4.364 352 2HG1 VAL 49 2HG1 VAL 49 7.758 -3.621 5.232 353 3HG1 VAL 49 3HG1 VAL 49 6.035 -3.934 5.428 354 1HG2 VAL 49 1HG2 VAL 49 4.737 -4.962 3.616 355 2HG2 VAL 49 2HG2 VAL 49 5.521 -5.442 2.111 356 3HG2 VAL 49 3HG2 VAL 49 5.243 -3.734 2.454 357 H HIS 50 H HIS 50 9.370 -2.128 2.746 358 HA HIS 50 HA HIS 50 11.678 -3.565 3.810 359 1HB HIS 50 2HB HIS 50 11.765 -1.888 1.821 360 2HB HIS 50 1HB HIS 50 11.688 -0.649 3.075 361 HD1 HIS 50 HD1 HIS 50 14.037 -2.767 1.281 362 HD2 HIS 50 HD2 HIS 50 13.920 -0.879 4.989 363 HE1 HIS 50 HE1 HIS 50 16.415 -2.726 2.101 364 HE2 HIS 50 HE2 HIS 50 16.338 -1.485 4.296 365 H TYR 51 H TYR 51 12.070 -3.579 5.872 366 HA TYR 51 HA TYR 51 10.962 -1.486 7.612 367 1HB TYR 51 2HB TYR 51 12.273 -4.129 8.320 368 2HB TYR 51 1HB TYR 51 11.537 -3.010 9.460 369 HD1 TYR 51 HD1 TYR 51 9.188 -2.976 9.808 370 HD2 TYR 51 HD2 TYR 51 10.835 -5.366 6.698 371 HE1 TYR 51 HE1 TYR 51 7.016 -4.096 9.521 372 HE2 TYR 51 HE2 TYR 51 8.672 -6.491 6.406 373 HH TYR 51 HH TYR 51 5.789 -5.336 7.921 374 H SER 52 H SER 52 12.289 0.121 8.265 375 HA SER 52 HA SER 52 14.992 0.165 7.384 376 1HB SER 52 2HB SER 52 13.664 2.015 9.368 377 2HB SER 52 1HB SER 52 15.095 2.351 8.391 378 HG SER 52 HG SER 52 13.882 2.635 6.650 379 H ASP 53 H ASP 53 13.762 0.553 10.669 380 HA ASP 53 HA ASP 53 15.909 -1.237 11.606 381 1HB ASP 53 2HB ASP 53 14.724 1.150 13.041 382 2HB ASP 53 1HB ASP 53 15.916 0.048 13.719 383 H ASP 54 H ASP 54 12.583 -0.505 11.486 384 HA ASP 54 HA ASP 54 11.788 -2.863 12.848 385 1HB ASP 54 2HB ASP 54 10.685 -1.863 14.782 386 2HB ASP 54 1HB ASP 54 12.405 -1.492 14.814 387 H ARG 55 H ARG 55 10.976 0.290 11.527 388 HA ARG 55 HA ARG 55 8.181 -0.548 11.189 389 1HB ARG 55 2HB ARG 55 8.517 1.597 12.337 390 2HB ARG 55 1HB ARG 55 9.451 2.194 10.970 391 1HG ARG 55 2HG ARG 55 7.277 1.642 9.629 392 2HG ARG 55 1HG ARG 55 6.516 1.748 11.215 393 1HD ARG 55 2HD ARG 55 8.289 3.907 10.112 394 2HD ARG 55 1HD ARG 55 6.555 3.860 9.819 395 HE ARG 55 HE ARG 55 6.965 3.678 12.574 396 1HH1 ARG 55 1HH1 ARG 55 7.448 5.967 9.963 397 2HH1 ARG 55 2HH1 ARG 55 7.233 7.365 10.975 398 1HH2 ARG 55 1HH2 ARG 55 6.636 5.513 13.904 399 2HH2 ARG 55 2HH2 ARG 55 6.771 7.108 13.217 400 HA PRO 56 HA PRO 56 8.776 -0.853 6.738 401 1HB PRO 56 2HB PRO 56 6.147 -0.441 6.053 402 2HB PRO 56 1HB PRO 56 6.808 -2.005 6.541 403 1HG PRO 56 2HG PRO 56 5.249 -0.025 8.130 404 2HG PRO 56 1HG PRO 56 5.169 -1.796 8.149 405 1HD PRO 56 2HD PRO 56 6.450 -0.367 10.063 406 2HD PRO 56 1HD PRO 56 6.981 -1.986 9.562 407 H HIS 57 H HIS 57 9.667 0.822 5.729 408 HA HIS 57 HA HIS 57 8.483 3.481 6.118 409 1HB HIS 57 2HB HIS 57 11.257 2.506 5.780 410 2HB HIS 57 1HB HIS 57 10.876 4.065 5.059 411 HD1 HIS 57 HD1 HIS 57 11.143 6.005 6.599 412 HD2 HIS 57 HD2 HIS 57 10.460 2.451 8.663 413 HE1 HIS 57 HE1 HIS 57 11.332 6.584 9.043 414 HE2 HIS 57 HE2 HIS 57 10.989 4.409 10.274 415 H LEU 58 H LEU 58 9.550 1.236 3.654 416 HA LEU 58 HA LEU 58 9.213 1.120 1.412 417 1HB LEU 58 2HB LEU 58 7.308 3.421 1.829 418 2HB LEU 58 1HB LEU 58 7.466 2.488 0.352 419 HG LEU 58 HG LEU 58 6.522 1.417 3.016 420 1HD1 LEU 58 1HD1 LEU 58 4.903 2.901 1.947 421 2HD1 LEU 58 2HD1 LEU 58 4.357 1.224 1.918 422 3HD1 LEU 58 3HD1 LEU 58 5.019 1.961 0.459 423 1HD2 LEU 58 1HD2 LEU 58 7.717 -0.281 1.757 424 2HD2 LEU 58 2HD2 LEU 58 6.754 0.077 0.322 425 3HD2 LEU 58 3HD2 LEU 58 5.985 -0.618 1.750 426 H TYR 59 H TYR 59 10.572 1.717 -0.139 427 HA TYR 59 HA TYR 59 11.580 4.476 -0.076 428 1HB TYR 59 2HB TYR 59 13.149 1.946 -0.625 429 2HB TYR 59 1HB TYR 59 13.777 3.576 -0.849 430 HD1 TYR 59 HD1 TYR 59 14.125 0.956 1.229 431 HD2 TYR 59 HD2 TYR 59 13.003 5.054 1.453 432 HE1 TYR 59 HE1 TYR 59 14.796 1.007 3.596 433 HE2 TYR 59 HE2 TYR 59 13.676 5.118 3.816 434 HH TYR 59 HH TYR 59 15.578 2.862 5.264 435 H LYS 60 H LYS 60 13.039 4.567 -2.336 436 HA LYS 60 HA LYS 60 10.952 4.951 -4.221 437 1HB LYS 60 2HB LYS 60 13.921 5.376 -4.283 438 2HB LYS 60 1HB LYS 60 12.950 5.587 -5.736 439 1HG LYS 60 2HG LYS 60 11.678 7.325 -4.735 440 2HG LYS 60 1HG LYS 60 12.372 6.998 -3.149 441 1HD LYS 60 2HD LYS 60 14.056 7.847 -5.488 442 2HD LYS 60 1HD LYS 60 13.272 9.015 -4.420 443 1HE LYS 60 2HE LYS 60 14.413 7.875 -2.499 444 2HE LYS 60 1HE LYS 60 15.318 6.929 -3.681 445 1HZ LYS 60 1HZ LYS 60 16.293 8.918 -4.550 446 2HZ LYS 60 2HZ LYS 60 16.513 8.916 -2.865 447 3HZ LYS 60 3HZ LYS 60 15.319 9.897 -3.565 448 H LEU 61 H LEU 61 12.625 2.182 -3.496 449 HA LEU 61 HA LEU 61 11.556 0.846 -5.794 450 1HB LEU 61 2HB LEU 61 13.673 1.660 -6.729 451 2HB LEU 61 1HB LEU 61 14.554 0.903 -5.416 452 HG LEU 61 HG LEU 61 13.827 -1.317 -6.217 453 1HD1 LEU 61 1HD1 LEU 61 12.603 0.233 -8.495 454 2HD1 LEU 61 2HD1 LEU 61 11.724 -0.662 -7.256 455 3HD1 LEU 61 3HD1 LEU 61 12.753 -1.522 -8.404 456 1HD2 LEU 61 1HD2 LEU 61 15.143 0.388 -8.330 457 2HD2 LEU 61 2HD2 LEU 61 15.219 -1.372 -8.224 458 3HD2 LEU 61 3HD2 LEU 61 15.957 -0.378 -6.967 459 H GLY 62 H GLY 62 10.700 -0.946 -4.965 460 1HA GLY 62 2HA GLY 62 12.026 -2.952 -3.647 461 2HA GLY 62 1HA GLY 62 11.474 -1.879 -2.372 462 HA PRO 63 HA PRO 63 7.544 -3.729 -2.316 463 1HB PRO 63 2HB PRO 63 5.720 -1.729 -2.341 464 2HB PRO 63 1HB PRO 63 6.788 -2.038 -0.967 465 1HG PRO 63 2HG PRO 63 7.049 -0.002 -3.150 466 2HG PRO 63 1HG PRO 63 7.319 0.184 -1.406 467 1HD PRO 63 2HD PRO 63 9.345 -0.151 -3.176 468 2HD PRO 63 1HD PRO 63 9.421 -0.744 -1.504 469 H GLU 64 H GLU 64 6.235 -4.801 -3.630 470 HA GLU 64 HA GLU 64 5.313 -3.522 -6.115 471 1HB GLU 64 2HB GLU 64 6.242 -6.389 -5.823 472 2HB GLU 64 1HB GLU 64 5.466 -5.726 -7.253 473 1HG GLU 64 2HG GLU 64 7.371 -4.102 -7.410 474 2HG GLU 64 1HG GLU 64 8.164 -5.029 -6.136 475 H LEU 65 H LEU 65 3.344 -4.695 -7.006 476 HA LEU 65 HA LEU 65 1.599 -5.368 -4.745 477 1HB LEU 65 2HB LEU 65 1.022 -4.489 -7.570 478 2HB LEU 65 1HB LEU 65 -0.225 -5.134 -6.522 479 HG LEU 65 HG LEU 65 0.355 -3.270 -4.893 480 1HD1 LEU 65 1HD1 LEU 65 1.782 -2.162 -7.301 481 2HD1 LEU 65 2HD1 LEU 65 2.536 -2.670 -5.792 482 3HD1 LEU 65 3HD1 LEU 65 1.438 -1.290 -5.809 483 1HD2 LEU 65 1HD2 LEU 65 -0.745 -2.530 -7.598 484 2HD2 LEU 65 2HD2 LEU 65 -0.982 -1.623 -6.102 485 3HD2 LEU 65 3HD2 LEU 65 -1.650 -3.246 -6.264 486 H THR 66 H THR 66 0.389 -7.257 -4.671 487 HA THR 66 HA THR 66 1.517 -9.483 -6.113 488 HB THR 66 HB THR 66 -0.051 -10.871 -4.836 489 HG1 THR 66 HG1 THR 66 -1.277 -9.583 -3.149 490 1HG2 THR 66 1HG2 THR 66 2.067 -10.239 -3.783 491 2HG2 THR 66 2HG2 THR 66 0.782 -10.384 -2.584 492 3HG2 THR 66 3HG2 THR 66 1.311 -8.789 -3.121 493 H GLU 67 H GLU 67 -0.004 -11.101 -7.142 494 HA GLU 67 HA GLU 67 -1.465 -10.004 -9.248 495 1HB GLU 67 2HB GLU 67 -0.603 -12.328 -9.152 496 2HB GLU 67 1HB GLU 67 -1.840 -12.717 -7.966 497 1HG GLU 67 2HG GLU 67 -3.556 -12.094 -9.668 498 2HG GLU 67 1HG GLU 67 -2.247 -11.946 -10.843 499 H LYS 68 H LYS 68 -2.477 -11.049 -6.031 500 HA LYS 68 HA LYS 68 -5.257 -10.677 -6.466 501 1HB LYS 68 2HB LYS 68 -3.811 -11.826 -4.472 502 2HB LYS 68 1HB LYS 68 -4.241 -10.298 -3.716 503 1HG LYS 68 2HG LYS 68 -6.175 -12.284 -4.902 504 2HG LYS 68 1HG LYS 68 -5.850 -12.054 -3.186 505 1HD LYS 68 2HD LYS 68 -6.795 -9.858 -3.224 506 2HD LYS 68 1HD LYS 68 -6.899 -9.874 -4.987 507 1HE LYS 68 2HE LYS 68 -8.526 -11.686 -4.880 508 2HE LYS 68 1HE LYS 68 -8.410 -11.700 -3.121 509 1HZ LYS 68 1HZ LYS 68 -9.346 -9.507 -3.037 510 2HZ LYS 68 2HZ LYS 68 -10.361 -10.493 -3.967 511 3HZ LYS 68 3HZ LYS 68 -9.343 -9.373 -4.730 512 H GLY 69 H GLY 69 -2.708 -8.646 -5.035 513 1HA GLY 69 2HA GLY 69 -4.333 -6.486 -4.287 514 2HA GLY 69 1HA GLY 69 -2.617 -6.384 -4.661 515 H GLU 70 H GLU 70 -2.612 -7.099 -7.318 516 HA GLU 70 HA GLU 70 -3.230 -4.697 -8.603 517 1HB GLU 70 2HB GLU 70 -1.535 -6.225 -9.422 518 2HB GLU 70 1HB GLU 70 -2.753 -7.451 -9.737 519 1HG GLU 70 2HG GLU 70 -3.708 -6.149 -11.487 520 2HG GLU 70 1HG GLU 70 -2.668 -4.777 -11.099 521 H ASN 71 H ASN 71 -5.011 -7.745 -8.438 522 HA ASN 71 HA ASN 71 -7.088 -6.782 -10.191 523 1HB ASN 71 2HB ASN 71 -6.695 -9.313 -8.622 524 2HB ASN 71 1HB ASN 71 -8.244 -8.954 -9.377 525 1HD2 ASN 71 1HD2 ASN 71 -4.893 -9.722 -9.918 526 2HD2 ASN 71 2HD2 ASN 71 -5.053 -10.101 -11.599 527 H TYR 72 H TYR 72 -6.470 -6.832 -6.791 528 HA TYR 72 HA TYR 72 -9.105 -6.435 -5.856 529 1HB TYR 72 2HB TYR 72 -7.251 -7.076 -4.372 530 2HB TYR 72 1HB TYR 72 -6.475 -5.523 -4.659 531 HD1 TYR 72 HD1 TYR 72 -9.505 -7.098 -3.196 532 HD2 TYR 72 HD2 TYR 72 -7.009 -3.656 -3.341 533 HE1 TYR 72 HE1 TYR 72 -10.704 -6.151 -1.266 534 HE2 TYR 72 HE2 TYR 72 -8.196 -2.703 -1.415 535 HH TYR 72 HH TYR 72 -10.482 -2.936 -0.362 536 H LEU 73 H LEU 73 -6.706 -4.320 -7.239 537 HA LEU 73 HA LEU 73 -7.801 -1.831 -6.609 538 1HB LEU 73 2HB LEU 73 -6.470 -2.660 -9.188 539 2HB LEU 73 1HB LEU 73 -6.694 -1.011 -8.641 540 HG LEU 73 HG LEU 73 -4.965 -3.089 -7.289 541 1HD1 LEU 73 1HD1 LEU 73 -4.248 -0.660 -8.922 542 2HD1 LEU 73 2HD1 LEU 73 -4.012 -2.345 -9.388 543 3HD1 LEU 73 3HD1 LEU 73 -3.109 -1.669 -8.032 544 1HD2 LEU 73 1HD2 LEU 73 -4.202 -1.233 -5.895 545 2HD2 LEU 73 2HD2 LEU 73 -5.928 -1.526 -5.687 546 3HD2 LEU 73 3HD2 LEU 73 -5.376 -0.167 -6.667 547 H LYS 74 H LYS 74 -8.726 -4.203 -9.019 548 HA LYS 74 HA LYS 74 -10.595 -2.582 -10.422 549 1HB LYS 74 2HB LYS 74 -9.614 -4.708 -11.292 550 2HB LYS 74 1HB LYS 74 -10.558 -5.592 -10.101 551 1HG LYS 74 2HG LYS 74 -12.611 -4.544 -11.172 552 2HG LYS 74 1HG LYS 74 -11.537 -4.053 -12.486 553 1HD LYS 74 2HD LYS 74 -12.510 -6.123 -13.142 554 2HD LYS 74 1HD LYS 74 -10.849 -6.480 -12.665 555 1HE LYS 74 2HE LYS 74 -11.696 -7.135 -10.421 556 2HE LYS 74 1HE LYS 74 -13.339 -6.907 -11.016 557 1HZ LYS 74 1HZ LYS 74 -11.396 -9.002 -11.672 558 2HZ LYS 74 2HZ LYS 74 -12.517 -8.548 -12.860 559 3HZ LYS 74 3HZ LYS 74 -13.059 -9.136 -11.364 560 H GLU 75 H GLU 75 -10.852 -4.896 -7.768 561 HA GLU 75 HA GLU 75 -13.655 -4.848 -7.486 562 1HB GLU 75 2HB GLU 75 -11.563 -5.440 -5.386 563 2HB GLU 75 1HB GLU 75 -13.254 -5.919 -5.329 564 1HG GLU 75 2HG GLU 75 -12.964 -7.419 -7.166 565 2HG GLU 75 1HG GLU 75 -11.331 -6.826 -7.457 566 H ASN 76 H ASN 76 -11.077 -3.119 -5.778 567 HA ASN 76 HA ASN 76 -13.054 -1.617 -4.244 568 1HB ASN 76 2HB ASN 76 -10.774 -2.680 -3.424 569 2HB ASN 76 1HB ASN 76 -10.109 -1.160 -4.002 570 1HD2 ASN 76 1HD2 ASN 76 -12.387 0.452 -3.281 571 2HD2 ASN 76 2HD2 ASN 76 -12.396 0.552 -1.553 572 H GLY 77 H GLY 77 -11.911 -1.327 -7.235 573 1HA GLY 77 2HA GLY 77 -10.873 1.234 -7.533 574 2HA GLY 77 1HA GLY 77 -11.762 0.360 -8.763 575 H THR 78 H THR 78 -13.938 0.571 -6.376 576 HA THR 78 HA THR 78 -15.351 2.788 -7.402 577 HB THR 78 HB THR 78 -16.760 1.271 -6.389 578 HG1 THR 78 HG1 THR 78 -17.772 2.390 -4.851 579 1HG2 THR 78 1HG2 THR 78 -15.128 -0.143 -5.321 580 2HG2 THR 78 2HG2 THR 78 -16.389 0.253 -4.152 581 3HG2 THR 78 3HG2 THR 78 -14.831 1.070 -4.077 582 H TRP 79 H TRP 79 -14.855 2.874 -3.927 583 HA TRP 79 HA TRP 79 -13.538 4.071 -2.527 584 1HB TRP 79 2HB TRP 79 -11.710 3.279 -4.007 585 2HB TRP 79 1HB TRP 79 -11.889 4.736 -4.973 586 HD1 TRP 79 HD1 TRP 79 -10.364 6.689 -4.303 587 HE1 TRP 79 HE1 TRP 79 -8.978 7.308 -2.225 588 HE3 TRP 79 HE3 TRP 79 -11.766 2.864 -1.222 589 HZ2 TRP 79 HZ2 TRP 79 -8.528 6.296 0.373 590 HZ3 TRP 79 HZ3 TRP 79 -10.810 2.753 1.038 591 HH2 TRP 79 HH2 TRP 79 -9.221 4.435 1.819 592 H SER 80 H SER 80 -12.847 6.258 -1.934 593 HA SER 80 HA SER 80 -13.750 8.469 -3.590 594 1HB SER 80 2HB SER 80 -14.643 8.115 -0.712 595 2HB SER 80 1HB SER 80 -14.939 9.539 -1.709 596 HG SER 80 HG SER 80 -15.792 7.453 -3.082 597 H LYS 81 H LYS 81 -12.103 9.915 -3.638 598 HA LYS 81 HA LYS 81 -9.814 9.512 -1.976 599 1HB LYS 81 2HB LYS 81 -10.426 10.951 -4.375 600 2HB LYS 81 1HB LYS 81 -9.622 12.035 -3.250 601 1HG LYS 81 2HG LYS 81 -8.581 9.364 -4.173 602 2HG LYS 81 1HG LYS 81 -8.028 10.944 -4.725 603 1HD LYS 81 2HD LYS 81 -7.328 11.484 -2.429 604 2HD LYS 81 1HD LYS 81 -7.846 9.880 -1.908 605 1HE LYS 81 2HE LYS 81 -5.494 9.781 -2.216 606 2HE LYS 81 1HE LYS 81 -6.228 8.922 -3.567 607 1HZ LYS 81 1HZ LYS 81 -5.266 11.730 -3.671 608 2HZ LYS 81 2HZ LYS 81 -5.865 10.832 -4.973 609 3HZ LYS 81 3HZ LYS 81 -4.399 10.394 -4.238 610 H ALA 82 H ALA 82 -8.849 11.059 -0.545 611 HA ALA 82 HA ALA 82 -10.879 12.330 1.100 612 1HB ALA 82 1HB ALA 82 -9.260 10.818 2.153 613 2HB ALA 82 2HB ALA 82 -9.156 12.450 2.813 614 3HB ALA 82 3HB ALA 82 -7.949 11.887 1.657
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