NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571609 | 2m8m | 19262 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 -8.318 -8.282 -13.997 2 H2 ASN 1 2H ASN 1 -8.735 -6.918 -14.793 3 H3 ASN 1 3H ASN 1 -8.745 -6.943 -13.156 4 HA ASN 1 HA ASN 1 -10.481 -8.529 -14.918 5 HB2 ASN 1 1HB ASN 1 -11.803 -9.064 -12.851 6 HB3 ASN 1 2HB ASN 1 -10.241 -9.845 -13.004 7 HD21 ASN 1 2HD2 ASN 1 -8.895 -9.788 -11.148 8 HD22 ASN 1 1HD2 ASN 1 -9.139 -8.603 -9.878 9 H GLU 2 H GLU 2 -10.860 -5.889 -12.422 10 HA GLU 2 HA GLU 2 -12.781 -4.596 -14.313 11 HB2 GLU 2 1HB GLU 2 -13.199 -5.626 -11.668 12 HB3 GLU 2 2HB GLU 2 -13.282 -3.877 -11.552 13 HG2 GLU 2 1HG GLU 2 -14.833 -5.506 -13.609 14 HG3 GLU 2 2HG GLU 2 -15.442 -5.112 -12.005 15 H GLN 3 H GLN 3 -12.218 -2.685 -15.014 16 HA GLN 3 HA GLN 3 -9.877 -1.271 -14.152 17 HB2 GLN 3 1HB GLN 3 -12.168 -0.186 -15.830 18 HB3 GLN 3 2HB GLN 3 -10.522 0.444 -15.701 19 HG2 GLN 3 1HG GLN 3 -9.817 -1.973 -16.528 20 HG3 GLN 3 2HG GLN 3 -11.488 -2.065 -17.089 21 HE21 GLN 3 2HE2 GLN 3 -8.318 -0.628 -17.655 22 HE22 GLN 3 1HE2 GLN 3 -8.788 0.203 -19.133 23 H GLU 4 H GLU 4 -13.257 -1.059 -13.159 24 HA GLU 4 HA GLU 4 -13.199 1.469 -11.790 25 HB2 GLU 4 1HB GLU 4 -14.812 -1.079 -11.505 26 HB3 GLU 4 2HB GLU 4 -15.001 0.199 -10.320 27 HG2 GLU 4 1HG GLU 4 -15.235 0.895 -13.258 28 HG3 GLU 4 2HG GLU 4 -16.565 0.091 -12.431 29 H LEU 5 H LEU 5 -12.334 -1.817 -10.634 30 HA LEU 5 HA LEU 5 -11.556 -0.846 -7.973 31 HB2 LEU 5 1HB LEU 5 -11.441 -3.521 -9.409 32 HB3 LEU 5 2HB LEU 5 -10.460 -3.222 -7.983 33 HG LEU 5 HG LEU 5 -12.541 -2.545 -6.720 34 HD11 LEU 5 1HD1 LEU 5 -14.111 -2.115 -8.546 35 HD12 LEU 5 2HD1 LEU 5 -14.701 -3.461 -7.571 36 HD13 LEU 5 3HD1 LEU 5 -13.929 -3.785 -9.138 37 HD21 LEU 5 3HD2 LEU 5 -13.225 -4.871 -6.315 38 HD22 LEU 5 1HD2 LEU 5 -11.467 -4.733 -6.446 39 HD23 LEU 5 2HD2 LEU 5 -12.406 -5.384 -7.810 40 H LEU 6 H LEU 6 -9.879 -1.695 -11.002 41 HA LEU 6 HA LEU 6 -7.234 -1.579 -10.108 42 HB2 LEU 6 1HB LEU 6 -8.156 -2.351 -12.302 43 HB3 LEU 6 2HB LEU 6 -8.233 -0.674 -12.833 44 HG LEU 6 HG LEU 6 -5.624 -1.939 -11.895 45 HD11 LEU 6 1HD1 LEU 6 -5.143 -2.525 -14.221 46 HD12 LEU 6 2HD1 LEU 6 -6.749 -1.948 -14.726 47 HD13 LEU 6 3HD1 LEU 6 -6.590 -3.371 -13.669 48 HD21 LEU 6 3HD2 LEU 6 -4.720 -0.302 -13.660 49 HD22 LEU 6 1HD2 LEU 6 -5.370 0.436 -12.200 50 HD23 LEU 6 2HD2 LEU 6 -6.336 0.426 -13.690 51 H GLU 7 H GLU 7 -9.285 1.178 -11.085 52 HA GLU 7 HA GLU 7 -7.392 3.278 -10.941 53 HB2 GLU 7 1HB GLU 7 -10.369 3.085 -10.506 54 HB3 GLU 7 2HB GLU 7 -9.545 4.538 -9.942 55 HG2 GLU 7 1HG GLU 7 -8.550 4.852 -12.208 56 HG3 GLU 7 2HG GLU 7 -9.476 3.464 -12.786 57 H LEU 8 H LEU 8 -9.157 1.765 -8.232 58 HA LEU 8 HA LEU 8 -7.813 3.456 -6.222 59 HB2 LEU 8 1HB LEU 8 -10.140 2.795 -5.963 60 HB3 LEU 8 2HB LEU 8 -9.717 1.088 -5.955 61 HG LEU 8 HG LEU 8 -8.316 2.820 -3.927 62 HD11 LEU 8 1HD1 LEU 8 -11.259 2.102 -3.658 63 HD12 LEU 8 2HD1 LEU 8 -10.582 3.738 -3.823 64 HD13 LEU 8 3HD1 LEU 8 -10.220 2.780 -2.381 65 HD21 LEU 8 3HD2 LEU 8 -9.733 0.122 -3.707 66 HD22 LEU 8 1HD2 LEU 8 -8.699 0.877 -2.474 67 HD23 LEU 8 2HD2 LEU 8 -7.997 0.332 -4.002 68 H ASP 9 H ASP 9 -7.501 0.159 -7.507 69 HA ASP 9 HA ASP 9 -5.719 -0.956 -5.660 70 HB2 ASP 9 1HB ASP 9 -6.888 -2.068 -7.646 71 HB3 ASP 9 2HB ASP 9 -5.585 -1.428 -8.649 72 H LYS 10 H LYS 10 -4.995 1.316 -8.249 73 HA LYS 10 HA LYS 10 -2.140 1.216 -8.219 74 HB2 LYS 10 1HB LYS 10 -4.188 2.877 -9.414 75 HB3 LYS 10 2HB LYS 10 -3.078 3.953 -8.583 76 HG2 LYS 10 1HG LYS 10 -2.238 3.749 -10.769 77 HG3 LYS 10 2HG LYS 10 -1.159 2.772 -9.765 78 HD2 LYS 10 1HD LYS 10 -2.392 0.711 -10.493 79 HD3 LYS 10 2HD LYS 10 -3.469 1.727 -11.474 80 HE2 LYS 10 1HE LYS 10 -1.496 2.556 -12.758 81 HE3 LYS 10 2HE LYS 10 -0.439 1.511 -11.801 82 HZ1 LYS 10 3HZ LYS 10 -2.627 0.558 -13.571 83 HZ2 LYS 10 1HZ LYS 10 -1.639 -0.413 -12.695 84 HZ3 LYS 10 2HZ LYS 10 -1.038 0.482 -13.919 85 H TRP 11 H TRP 11 -4.317 3.258 -6.300 86 HA TRP 11 HA TRP 11 -2.178 4.340 -4.619 87 HB2 TRP 11 1HB TRP 11 -4.990 4.893 -5.085 88 HB3 TRP 11 2HB TRP 11 -4.708 4.712 -3.369 89 HD1 TRP 11 HD1 TRP 11 -3.308 6.712 -6.356 90 HE1 TRP 11 HE1 TRP 11 -2.446 8.995 -5.519 91 HE3 TRP 11 HE3 TRP 11 -4.011 6.061 -1.319 92 HZ2 TRP 11 HZ2 TRP 11 -2.122 10.355 -3.007 93 HZ3 TRP 11 HZ3 TRP 11 -3.419 7.878 0.275 94 HH2 TRP 11 HH2 TRP 11 -2.479 10.022 -0.554 95 H ALA 12 H ALA 12 -4.303 1.527 -4.381 96 HA ALA 12 HA ALA 12 -3.985 0.953 -1.640 97 HB1 ALA 12 3HB ALA 12 -5.523 -0.211 -3.235 98 HB2 ALA 12 1HB ALA 12 -4.118 -1.097 -3.880 99 HB3 ALA 12 2HB ALA 12 -4.600 -1.308 -2.192 100 H SER 13 H SER 13 -1.550 0.722 -4.145 101 HA SER 13 HA SER 13 0.296 -1.048 -2.829 102 HB2 SER 13 1HB SER 13 0.723 1.201 -4.825 103 HB3 SER 13 2HB SER 13 2.044 0.207 -4.189 104 HG SER 13 HG SER 13 -0.277 -0.814 -5.508 105 H LEU 14 H LEU 14 -0.309 2.460 -2.356 106 HA LEU 14 HA LEU 14 1.980 2.913 -0.631 107 HB2 LEU 14 1HB LEU 14 -0.623 4.397 -1.123 108 HB3 LEU 14 2HB LEU 14 0.303 4.726 0.322 109 HG LEU 14 HG LEU 14 2.352 5.063 -1.245 110 HD11 LEU 14 1HD1 LEU 14 0.058 5.558 -3.199 111 HD12 LEU 14 2HD1 LEU 14 1.289 4.280 -3.345 112 HD13 LEU 14 3HD1 LEU 14 1.765 5.982 -3.456 113 HD21 LEU 14 3HD2 LEU 14 1.294 6.822 0.094 114 HD22 LEU 14 1HD2 LEU 14 0.049 7.053 -1.154 115 HD23 LEU 14 2HD2 LEU 14 1.753 7.437 -1.498 116 H TRP 15 H TRP 15 -1.279 1.684 -0.072 117 HA TRP 15 HA TRP 15 -1.312 1.781 2.773 118 HB2 TRP 15 1HB TRP 15 -3.131 1.165 0.867 119 HB3 TRP 15 2HB TRP 15 -2.723 -0.465 1.369 120 HD1 TRP 15 HD1 TRP 15 -3.732 -1.260 3.660 121 HE1 TRP 15 HE1 TRP 15 -5.353 -0.221 5.378 122 HE3 TRP 15 HE3 TRP 15 -3.761 3.564 1.941 123 HZ2 TRP 15 HZ2 TRP 15 -6.494 2.367 5.936 124 HZ3 TRP 15 HZ3 TRP 15 -5.124 5.303 3.087 125 HH2 TRP 15 HH2 TRP 15 -6.488 4.718 5.079 126 H ASN 16 H ASN 16 -0.265 -0.815 0.574 127 HA ASN 16 HA ASN 16 0.680 -2.579 2.710 128 HB2 ASN 16 1HB ASN 16 0.560 -2.630 -0.273 129 HB3 ASN 16 2HB ASN 16 1.991 -3.392 0.407 130 HD21 ASN 16 2HD2 ASN 16 -1.566 -3.316 1.143 131 HD22 ASN 16 1HD2 ASN 16 -1.618 -5.050 1.445 132 H TRP 17 H TRP 17 2.315 -0.228 0.535 133 HA TRP 17 HA TRP 17 4.970 -0.689 1.402 134 HB2 TRP 17 1HB TRP 17 4.431 0.672 -0.543 135 HB3 TRP 17 2HB TRP 17 3.645 1.874 0.475 136 HD1 TRP 17 HD1 TRP 17 7.167 0.342 0.021 137 HE1 TRP 17 HE1 TRP 17 8.939 2.134 0.544 138 HE3 TRP 17 HE3 TRP 17 4.069 4.164 1.471 139 HZ2 TRP 17 HZ2 TRP 17 9.009 4.843 1.497 140 HZ3 TRP 17 HZ3 TRP 17 5.026 6.344 2.193 141 HH2 TRP 17 HH2 TRP 17 7.486 6.693 2.212 142 H PHE 18 H PHE 18 2.585 1.624 2.779 143 HA PHE 18 HA PHE 18 4.150 2.755 4.796 144 HB2 PHE 18 1HB PHE 18 1.882 3.482 4.134 145 HB3 PHE 18 2HB PHE 18 1.195 2.054 4.900 146 HD1 PHE 18 HD1 PHE 18 3.268 5.108 5.593 147 HD2 PHE 18 HD2 PHE 18 0.619 2.120 7.228 148 HE1 PHE 18 HE1 PHE 18 3.187 6.353 7.741 149 HE2 PHE 18 HE2 PHE 18 0.541 3.369 9.373 150 HZ PHE 18 HZ PHE 18 1.819 5.487 9.632 151 H ASN 19 H ASN 19 2.518 -0.383 4.860 152 HA ASN 19 HA ASN 19 2.895 -1.037 7.610 153 HB2 ASN 19 1HB ASN 19 1.489 -2.169 5.691 154 HB3 ASN 19 2HB ASN 19 2.958 -3.092 5.377 155 HD21 ASN 19 2HD2 ASN 19 0.087 -3.489 6.767 156 HD22 ASN 19 1HD2 ASN 19 0.559 -4.487 8.136 157 H ILE 20 H ILE 20 4.986 -1.649 4.770 158 HA ILE 20 HA ILE 20 7.142 -2.947 6.159 159 HB ILE 20 HB ILE 20 7.213 -1.372 3.563 160 HG12 ILE 20 1HG1 ILE 20 5.647 -3.173 3.290 161 HG13 ILE 20 2HG1 ILE 20 7.135 -3.578 2.463 162 HG21 ILE 20 1HG2 ILE 20 9.455 -1.551 4.291 163 HG22 ILE 20 2HG2 ILE 20 9.250 -3.230 4.833 164 HG23 ILE 20 3HG2 ILE 20 9.241 -2.829 3.102 165 HD11 ILE 20 3HD1 ILE 20 7.767 -5.041 4.454 166 HD12 ILE 20 1HD1 ILE 20 6.130 -4.742 5.088 167 HD13 ILE 20 2HD1 ILE 20 6.346 -5.566 3.536 168 H THR 21 H THR 21 6.674 0.554 5.303 169 HA THR 21 HA THR 21 9.096 1.453 6.455 170 HB THR 21 HB THR 21 6.969 3.417 6.856 171 HG1 THR 21 HG1 THR 21 6.520 3.634 4.614 172 HG21 THR 21 3HG2 THR 21 9.235 3.272 4.822 173 HG22 THR 21 1HG2 THR 21 9.385 3.916 6.478 174 HG23 THR 21 2HG2 THR 21 8.333 4.725 5.301 175 H ASN 22 H ASN 22 5.872 1.145 7.993 176 HA ASN 22 HA ASN 22 6.743 2.065 10.578 177 HB2 ASN 22 1HB ASN 22 4.269 1.312 9.373 178 HB3 ASN 22 2HB ASN 22 4.484 0.207 10.717 179 HD21 ASN 22 2HD2 ASN 22 4.412 3.668 9.810 180 HD22 ASN 22 1HD2 ASN 22 3.970 4.214 11.423 181 H TRP 23 H TRP 23 6.584 -1.222 9.186 182 HA TRP 23 HA TRP 23 7.382 -2.671 11.514 183 HB2 TRP 23 1HB TRP 23 6.414 -3.773 9.597 184 HB3 TRP 23 2HB TRP 23 7.725 -3.237 8.555 185 HD1 TRP 23 HD1 TRP 23 7.562 -5.266 11.866 186 HE1 TRP 23 HE1 TRP 23 9.126 -7.301 11.664 187 HE3 TRP 23 HE3 TRP 23 9.394 -4.424 7.154 188 HZ2 TRP 23 HZ2 TRP 23 10.926 -8.416 9.718 189 HZ3 TRP 23 HZ3 TRP 23 11.063 -5.980 6.162 190 HH2 TRP 23 HH2 TRP 23 11.834 -7.972 7.430 191 H LEU 24 H LEU 24 9.433 -1.380 8.841 192 HA LEU 24 HA LEU 24 11.959 -2.111 9.909 193 HB2 LEU 24 1HB LEU 24 10.941 0.019 8.046 194 HB3 LEU 24 2HB LEU 24 12.586 0.187 8.637 195 HG LEU 24 HG LEU 24 11.714 -2.491 7.513 196 HD11 LEU 24 1HD1 LEU 24 12.500 -1.752 5.285 197 HD12 LEU 24 2HD1 LEU 24 12.630 -0.081 5.890 198 HD13 LEU 24 3HD1 LEU 24 11.049 -0.883 5.813 199 HD21 LEU 24 3HD2 LEU 24 14.364 -0.978 7.430 200 HD22 LEU 24 1HD2 LEU 24 14.085 -2.664 6.953 201 HD23 LEU 24 2HD2 LEU 24 13.949 -2.195 8.657 202 H TRP 25 H TRP 25 9.945 0.696 10.707 203 HA TRP 25 HA TRP 25 11.755 2.041 12.437 204 HB2 TRP 25 1HB TRP 25 9.076 2.370 11.576 205 HB3 TRP 25 2HB TRP 25 8.982 2.278 13.319 206 HD1 TRP 25 HD1 TRP 25 9.756 4.557 10.530 207 HE1 TRP 25 HE1 TRP 25 10.641 6.834 11.360 208 HE3 TRP 25 HE3 TRP 25 10.584 3.389 15.461 209 HZ2 TRP 25 HZ2 TRP 25 11.672 7.954 13.796 210 HZ3 TRP 25 HZ3 TRP 25 11.563 5.069 16.999 211 HH2 TRP 25 HH2 TRP 25 12.116 7.350 16.183 212 H TYR 26 H TYR 26 9.708 -0.811 13.130 213 HA TYR 26 HA TYR 26 10.135 -0.705 16.017 214 HB2 TYR 26 1HB TYR 26 8.187 -1.817 15.376 215 HB3 TYR 26 2HB TYR 26 8.955 -2.675 14.062 216 HD1 TYR 26 HD2 TYR 26 8.501 -2.627 17.739 217 HD2 TYR 26 HD1 TYR 26 10.166 -4.707 14.356 218 HE1 TYR 26 HE2 TYR 26 8.942 -4.612 19.186 219 HE2 TYR 26 HE1 TYR 26 10.622 -6.704 15.810 220 HH TYR 26 HH TYR 26 9.836 -6.713 19.306 221 H ILE 27 H ILE 27 11.748 -2.277 13.266 222 HA ILE 27 HA ILE 27 13.506 -3.928 14.872 223 HB ILE 27 HB ILE 27 14.003 -3.059 11.999 224 HG12 ILE 27 1HG1 ILE 27 12.339 -5.414 12.988 225 HG13 ILE 27 2HG1 ILE 27 11.715 -3.981 12.190 226 HG21 ILE 27 1HG2 ILE 27 15.908 -4.187 13.142 227 HG22 ILE 27 2HG2 ILE 27 14.842 -5.534 13.595 228 HG23 ILE 27 3HG2 ILE 27 15.238 -5.225 11.894 229 HD11 ILE 27 3HD1 ILE 27 11.797 -5.247 10.353 230 HD12 ILE 27 1HD1 ILE 27 13.472 -4.699 10.282 231 HD13 ILE 27 2HD1 ILE 27 13.090 -6.298 10.972 232 H LYS 28 H LYS 28 14.022 -0.907 13.083 233 HA LYS 28 HA LYS 28 16.767 -0.531 14.091 234 HB2 LYS 28 1HB LYS 28 15.014 1.189 12.283 235 HB3 LYS 28 2HB LYS 28 16.675 1.570 12.739 236 HG2 LYS 28 1HG LYS 28 17.103 -0.951 11.876 237 HG3 LYS 28 2HG LYS 28 15.677 -0.596 10.900 238 HD2 LYS 28 1HD LYS 28 18.205 1.121 11.034 239 HD3 LYS 28 2HD LYS 28 17.931 -0.123 9.828 240 HE2 LYS 28 1HE LYS 28 15.668 1.764 9.981 241 HE3 LYS 28 2HE LYS 28 17.195 2.602 9.700 242 HZ1 LYS 28 3HZ LYS 28 17.593 1.156 7.793 243 HZ2 LYS 28 1HZ LYS 28 16.174 1.934 7.606 244 HZ3 LYS 28 2HZ LYS 28 16.190 0.356 8.039 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 -12.808 -8.982 -12.198 2 H2 ASN 1 2H ASN 1 -11.284 -9.417 -11.786 3 H3 ASN 1 3H ASN 1 -11.871 -7.962 -11.323 4 HA ASN 1 HA ASN 1 -10.358 -7.636 -13.146 5 HB2 ASN 1 1HB ASN 1 -12.213 -9.529 -14.664 6 HB3 ASN 1 2HB ASN 1 -10.899 -8.599 -15.379 7 HD21 ASN 1 2HD2 ASN 1 -8.636 -9.274 -14.929 8 HD22 ASN 1 1HD2 ASN 1 -8.366 -10.835 -14.177 9 H GLU 2 H GLU 2 -11.149 -5.514 -12.655 10 HA GLU 2 HA GLU 2 -13.143 -4.480 -14.528 11 HB2 GLU 2 1HB GLU 2 -14.057 -5.386 -12.022 12 HB3 GLU 2 2HB GLU 2 -13.844 -3.654 -11.769 13 HG2 GLU 2 1HG GLU 2 -15.236 -3.195 -13.768 14 HG3 GLU 2 2HG GLU 2 -15.425 -4.929 -14.046 15 H GLN 3 H GLN 3 -13.057 -2.170 -14.778 16 HA GLN 3 HA GLN 3 -10.576 -0.938 -14.149 17 HB2 GLN 3 1HB GLN 3 -11.700 -0.421 -16.162 18 HB3 GLN 3 2HB GLN 3 -13.198 0.038 -15.334 19 HG2 GLN 3 1HG GLN 3 -12.332 2.049 -14.557 20 HG3 GLN 3 2HG GLN 3 -10.651 1.504 -14.694 21 HE21 GLN 3 2HE2 GLN 3 -9.865 3.245 -15.921 22 HE22 GLN 3 1HE2 GLN 3 -10.405 3.515 -17.575 23 H GLU 4 H GLU 4 -13.747 -0.777 -12.535 24 HA GLU 4 HA GLU 4 -13.205 1.450 -10.821 25 HB2 GLU 4 1HB GLU 4 -14.890 -1.009 -10.197 26 HB3 GLU 4 2HB GLU 4 -14.969 0.547 -9.375 27 HG2 GLU 4 1HG GLU 4 -15.745 -0.041 -12.262 28 HG3 GLU 4 2HG GLU 4 -16.831 0.299 -10.924 29 H LEU 5 H LEU 5 -12.250 -1.931 -10.550 30 HA LEU 5 HA LEU 5 -11.143 -1.685 -7.853 31 HB2 LEU 5 1HB LEU 5 -11.874 -3.803 -9.580 32 HB3 LEU 5 2HB LEU 5 -10.125 -3.924 -9.489 33 HG LEU 5 HG LEU 5 -11.957 -3.726 -7.054 34 HD11 LEU 5 1HD1 LEU 5 -10.718 -6.203 -8.321 35 HD12 LEU 5 2HD1 LEU 5 -12.442 -5.764 -8.349 36 HD13 LEU 5 3HD1 LEU 5 -11.657 -6.147 -6.810 37 HD21 LEU 5 3HD2 LEU 5 -9.606 -3.092 -6.580 38 HD22 LEU 5 1HD2 LEU 5 -9.047 -4.616 -7.303 39 HD23 LEU 5 2HD2 LEU 5 -10.021 -4.629 -5.816 40 H LEU 6 H LEU 6 -9.933 -1.467 -11.159 41 HA LEU 6 HA LEU 6 -7.171 -1.517 -10.698 42 HB2 LEU 6 1HB LEU 6 -8.766 -1.403 -12.871 43 HB3 LEU 6 2HB LEU 6 -8.281 0.277 -12.852 44 HG LEU 6 HG LEU 6 -5.934 -1.464 -12.498 45 HD11 LEU 6 1HD1 LEU 6 -7.333 -3.133 -13.674 46 HD12 LEU 6 2HD1 LEU 6 -5.974 -2.590 -14.672 47 HD13 LEU 6 3HD1 LEU 6 -7.611 -1.970 -14.989 48 HD21 LEU 6 3HD2 LEU 6 -6.763 0.373 -14.783 49 HD22 LEU 6 1HD2 LEU 6 -5.144 -0.299 -14.514 50 HD23 LEU 6 2HD2 LEU 6 -5.840 0.856 -13.344 51 H GLU 7 H GLU 7 -9.390 1.198 -10.312 52 HA GLU 7 HA GLU 7 -7.486 3.327 -9.961 53 HB2 GLU 7 1HB GLU 7 -10.305 2.861 -8.907 54 HB3 GLU 7 2HB GLU 7 -9.362 4.283 -8.456 55 HG2 GLU 7 1HG GLU 7 -9.108 4.912 -10.827 56 HG3 GLU 7 2HG GLU 7 -10.035 3.490 -11.316 57 H LEU 8 H LEU 8 -8.916 1.076 -7.582 58 HA LEU 8 HA LEU 8 -7.282 2.091 -5.376 59 HB2 LEU 8 1HB LEU 8 -9.562 0.259 -5.706 60 HB3 LEU 8 2HB LEU 8 -8.335 -0.453 -4.689 61 HG LEU 8 HG LEU 8 -9.956 0.683 -3.343 62 HD11 LEU 8 1HD1 LEU 8 -8.557 1.914 -1.898 63 HD12 LEU 8 2HD1 LEU 8 -7.486 2.443 -3.206 64 HD13 LEU 8 3HD1 LEU 8 -7.487 0.744 -2.689 65 HD21 LEU 8 3HD2 LEU 8 -9.206 3.280 -4.748 66 HD22 LEU 8 1HD2 LEU 8 -10.332 3.090 -3.387 67 HD23 LEU 8 2HD2 LEU 8 -10.721 2.380 -4.965 68 H ASP 9 H ASP 9 -7.019 -0.566 -7.685 69 HA ASP 9 HA ASP 9 -5.058 -2.139 -6.469 70 HB2 ASP 9 1HB ASP 9 -6.277 -2.631 -8.613 71 HB3 ASP 9 2HB ASP 9 -5.214 -1.489 -9.434 72 H LYS 10 H LYS 10 -4.475 0.745 -8.519 73 HA LYS 10 HA LYS 10 -1.612 0.795 -8.228 74 HB2 LYS 10 1HB LYS 10 -3.554 3.119 -8.672 75 HB3 LYS 10 2HB LYS 10 -1.808 3.179 -8.902 76 HG2 LYS 10 1HG LYS 10 -3.816 1.585 -10.543 77 HG3 LYS 10 2HG LYS 10 -2.869 2.989 -11.035 78 HD2 LYS 10 1HD LYS 10 -0.795 1.468 -10.447 79 HD3 LYS 10 2HD LYS 10 -1.953 0.136 -10.585 80 HE2 LYS 10 1HE LYS 10 -1.506 2.278 -12.721 81 HE3 LYS 10 2HE LYS 10 -0.588 0.772 -12.688 82 HZ1 LYS 10 3HZ LYS 10 -2.551 -0.470 -13.087 83 HZ2 LYS 10 1HZ LYS 10 -2.605 0.767 -14.151 84 HZ3 LYS 10 2HZ LYS 10 -3.547 0.805 -12.815 85 H TRP 11 H TRP 11 -4.149 2.387 -6.327 86 HA TRP 11 HA TRP 11 -2.414 3.737 -4.477 87 HB2 TRP 11 1HB TRP 11 -5.300 3.291 -4.798 88 HB3 TRP 11 2HB TRP 11 -4.814 3.231 -3.117 89 HD1 TRP 11 HD1 TRP 11 -5.108 5.449 -2.004 90 HE1 TRP 11 HE1 TRP 11 -4.790 7.936 -2.600 91 HE3 TRP 11 HE3 TRP 11 -3.642 4.952 -6.895 92 HZ2 TRP 11 HZ2 TRP 11 -3.940 9.490 -4.862 93 HZ3 TRP 11 HZ3 TRP 11 -3.054 6.956 -8.238 94 HH2 TRP 11 HH2 TRP 11 -3.193 9.224 -7.236 95 H ALA 12 H ALA 12 -3.734 0.442 -4.399 96 HA ALA 12 HA ALA 12 -3.160 -0.296 -1.786 97 HB1 ALA 12 3HB ALA 12 -4.369 -1.644 -3.529 98 HB2 ALA 12 1HB ALA 12 -2.790 -2.066 -4.232 99 HB3 ALA 12 2HB ALA 12 -3.190 -2.574 -2.584 100 H SER 13 H SER 13 -0.862 0.112 -4.400 101 HA SER 13 HA SER 13 1.435 -1.162 -3.277 102 HB2 SER 13 1HB SER 13 1.008 -0.294 -5.685 103 HB3 SER 13 2HB SER 13 1.530 1.281 -5.078 104 HG SER 13 HG SER 13 2.976 -1.161 -5.245 105 H LEU 14 H LEU 14 0.572 2.349 -3.276 106 HA LEU 14 HA LEU 14 2.594 3.089 -1.332 107 HB2 LEU 14 1HB LEU 14 0.097 4.511 -2.352 108 HB3 LEU 14 2HB LEU 14 1.111 5.145 -1.066 109 HG LEU 14 HG LEU 14 3.105 4.936 -2.711 110 HD11 LEU 14 1HD1 LEU 14 2.467 5.277 -5.089 111 HD12 LEU 14 2HD1 LEU 14 0.771 4.936 -4.683 112 HD13 LEU 14 3HD1 LEU 14 2.016 3.672 -4.519 113 HD21 LEU 14 3HD2 LEU 14 2.284 7.058 -1.942 114 HD22 LEU 14 1HD2 LEU 14 0.861 6.970 -3.004 115 HD23 LEU 14 2HD2 LEU 14 2.486 7.176 -3.695 116 H TRP 15 H TRP 15 -0.826 2.142 -1.049 117 HA TRP 15 HA TRP 15 -1.207 2.732 1.694 118 HB2 TRP 15 1HB TRP 15 -2.941 2.047 -0.015 119 HB3 TRP 15 2HB TRP 15 -2.414 0.379 0.208 120 HD1 TRP 15 HD1 TRP 15 -3.253 -0.864 2.355 121 HE1 TRP 15 HE1 TRP 15 -4.910 -0.287 4.245 122 HE3 TRP 15 HE3 TRP 15 -3.858 4.137 1.416 123 HZ2 TRP 15 HZ2 TRP 15 -6.277 2.045 5.241 124 HZ3 TRP 15 HZ3 TRP 15 -5.340 5.520 2.862 125 HH2 TRP 15 HH2 TRP 15 -6.546 4.488 4.773 126 H ASN 16 H ASN 16 0.049 -0.289 0.213 127 HA ASN 16 HA ASN 16 0.590 -1.606 2.741 128 HB2 ASN 16 1HB ASN 16 1.314 -2.081 -0.153 129 HB3 ASN 16 2HB ASN 16 2.335 -2.816 1.074 130 HD21 ASN 16 2HD2 ASN 16 -1.063 -2.622 -0.017 131 HD22 ASN 16 1HD2 ASN 16 -1.508 -4.161 0.741 132 H TRP 17 H TRP 17 2.668 0.372 0.563 133 HA TRP 17 HA TRP 17 5.052 0.235 2.069 134 HB2 TRP 17 1HB TRP 17 4.986 1.193 -0.148 135 HB3 TRP 17 2HB TRP 17 3.954 2.505 0.403 136 HD1 TRP 17 HD1 TRP 17 7.475 1.144 1.298 137 HE1 TRP 17 HE1 TRP 17 9.026 3.130 1.816 138 HE3 TRP 17 HE3 TRP 17 4.108 4.977 0.760 139 HZ2 TRP 17 HZ2 TRP 17 8.829 5.990 2.011 140 HZ3 TRP 17 HZ3 TRP 17 4.824 7.330 1.136 141 HH2 TRP 17 HH2 TRP 17 7.172 7.848 1.761 142 H PHE 18 H PHE 18 2.254 2.393 2.631 143 HA PHE 18 HA PHE 18 3.316 3.973 4.697 144 HB2 PHE 18 1HB PHE 18 0.714 3.402 3.597 145 HB3 PHE 18 2HB PHE 18 0.579 3.311 5.337 146 HD1 PHE 18 HD1 PHE 18 1.427 5.298 6.748 147 HD2 PHE 18 HD2 PHE 18 0.849 5.494 2.477 148 HE1 PHE 18 HE1 PHE 18 1.337 7.779 6.872 149 HE2 PHE 18 HE2 PHE 18 0.753 7.974 2.605 150 HZ PHE 18 HZ PHE 18 0.996 9.119 4.802 151 H ASN 19 H ASN 19 2.266 0.609 4.905 152 HA ASN 19 HA ASN 19 2.428 0.512 7.845 153 HB2 ASN 19 1HB ASN 19 2.330 -1.791 5.850 154 HB3 ASN 19 2HB ASN 19 2.016 -1.871 7.577 155 HD21 ASN 19 2HD2 ASN 19 0.224 0.271 8.019 156 HD22 ASN 19 1HD2 ASN 19 -1.200 -0.051 7.039 157 H ILE 20 H ILE 20 4.517 -0.324 5.090 158 HA ILE 20 HA ILE 20 6.661 -1.559 6.498 159 HB ILE 20 HB ILE 20 6.883 0.105 3.981 160 HG12 ILE 20 1HG1 ILE 20 5.233 -1.601 3.563 161 HG13 ILE 20 2HG1 ILE 20 6.725 -2.012 2.754 162 HG21 ILE 20 1HG2 ILE 20 9.076 -0.279 4.901 163 HG22 ILE 20 2HG2 ILE 20 8.726 -1.996 5.177 164 HG23 ILE 20 3HG2 ILE 20 8.857 -1.357 3.524 165 HD11 ILE 20 3HD1 ILE 20 5.692 -3.288 5.322 166 HD12 ILE 20 1HD1 ILE 20 5.684 -3.998 3.702 167 HD13 ILE 20 2HD1 ILE 20 7.228 -3.698 4.512 168 H THR 21 H THR 21 6.064 1.948 5.859 169 HA THR 21 HA THR 21 8.445 2.980 6.860 170 HB THR 21 HB THR 21 6.114 4.565 7.738 171 HG1 THR 21 HG1 THR 21 5.396 5.023 5.693 172 HG21 THR 21 3HG2 THR 21 7.234 6.303 6.461 173 HG22 THR 21 1HG2 THR 21 8.264 5.104 5.647 174 HG23 THR 21 2HG2 THR 21 8.460 5.419 7.389 175 H ASN 22 H ASN 22 5.616 1.965 8.740 176 HA ASN 22 HA ASN 22 6.872 2.692 11.316 177 HB2 ASN 22 1HB ASN 22 4.167 2.129 10.378 178 HB3 ASN 22 2HB ASN 22 4.561 1.045 11.701 179 HD21 ASN 22 2HD2 ASN 22 3.870 4.371 10.851 180 HD22 ASN 22 1HD2 ASN 22 3.977 4.965 12.503 181 H TRP 23 H TRP 23 6.181 -0.304 9.479 182 HA TRP 23 HA TRP 23 7.024 -2.146 11.457 183 HB2 TRP 23 1HB TRP 23 5.747 -2.615 9.341 184 HB3 TRP 23 2HB TRP 23 7.259 -2.465 8.453 185 HD1 TRP 23 HD1 TRP 23 6.589 -4.427 11.740 186 HE1 TRP 23 HE1 TRP 23 7.121 -6.912 11.358 187 HE3 TRP 23 HE3 TRP 23 7.828 -4.248 6.772 188 HZ2 TRP 23 HZ2 TRP 23 7.898 -8.612 9.177 189 HZ3 TRP 23 HZ3 TRP 23 8.451 -6.332 5.558 190 HH2 TRP 23 HH2 TRP 23 8.486 -8.513 6.748 191 H LEU 24 H LEU 24 8.987 -0.287 9.194 192 HA LEU 24 HA LEU 24 11.487 -1.498 9.338 193 HB2 LEU 24 1HB LEU 24 10.480 1.309 9.070 194 HB3 LEU 24 2HB LEU 24 12.177 1.154 9.480 195 HG LEU 24 HG LEU 24 11.032 -0.451 7.170 196 HD11 LEU 24 1HD1 LEU 24 10.431 1.875 6.732 197 HD12 LEU 24 2HD1 LEU 24 11.749 1.372 5.664 198 HD13 LEU 24 3HD1 LEU 24 12.093 2.404 7.076 199 HD21 LEU 24 3HD2 LEU 24 13.358 -0.345 6.379 200 HD22 LEU 24 1HD2 LEU 24 13.333 -0.975 8.035 201 HD23 LEU 24 2HD2 LEU 24 13.804 0.710 7.735 202 H TRP 25 H TRP 25 10.046 0.590 11.828 203 HA TRP 25 HA TRP 25 12.259 0.635 13.660 204 HB2 TRP 25 1HB TRP 25 9.533 1.609 13.543 205 HB3 TRP 25 2HB TRP 25 9.766 0.799 15.072 206 HD1 TRP 25 HD1 TRP 25 10.796 3.857 13.109 207 HE1 TRP 25 HE1 TRP 25 12.031 5.519 14.649 208 HE3 TRP 25 HE3 TRP 25 11.368 0.875 17.234 209 HZ2 TRP 25 HZ2 TRP 25 13.114 5.544 17.315 210 HZ3 TRP 25 HZ3 TRP 25 12.506 1.747 19.270 211 HH2 TRP 25 HH2 TRP 25 13.380 4.072 19.321 212 H TYR 26 H TYR 26 9.714 -1.765 13.133 213 HA TYR 26 HA TYR 26 10.273 -3.305 15.526 214 HB2 TYR 26 1HB TYR 26 8.122 -3.150 13.924 215 HB3 TYR 26 2HB TYR 26 8.923 -4.485 13.109 216 HD1 TYR 26 HD2 TYR 26 7.979 -3.266 16.517 217 HD2 TYR 26 HD1 TYR 26 8.476 -6.684 13.940 218 HE1 TYR 26 HE2 TYR 26 7.079 -4.749 18.320 219 HE2 TYR 26 HE1 TYR 26 7.558 -8.168 15.734 220 HH TYR 26 HH TYR 26 6.557 -6.888 18.928 221 H ILE 27 H ILE 27 11.262 -3.458 12.117 222 HA ILE 27 HA ILE 27 12.787 -5.900 12.303 223 HB ILE 27 HB ILE 27 13.163 -3.615 10.330 224 HG12 ILE 27 1HG1 ILE 27 10.853 -4.348 10.178 225 HG13 ILE 27 2HG1 ILE 27 11.767 -4.854 8.787 226 HG21 ILE 27 1HG2 ILE 27 14.138 -6.492 10.378 227 HG22 ILE 27 2HG2 ILE 27 13.952 -5.603 8.853 228 HG23 ILE 27 3HG2 ILE 27 15.058 -5.009 10.085 229 HD11 ILE 27 3HD1 ILE 27 10.303 -6.649 9.415 230 HD12 ILE 27 1HD1 ILE 27 11.931 -7.182 9.840 231 HD13 ILE 27 2HD1 ILE 27 10.822 -6.594 11.107 232 H LYS 28 H LYS 28 13.809 -2.491 12.472 233 HA LYS 28 HA LYS 28 16.314 -3.315 13.926 234 HB2 LYS 28 1HB LYS 28 16.066 -1.122 11.836 235 HB3 LYS 28 2HB LYS 28 17.492 -1.414 12.821 236 HG2 LYS 28 1HG LYS 28 16.294 -3.371 10.832 237 HG3 LYS 28 2HG LYS 28 17.617 -2.296 10.468 238 HD2 LYS 28 1HD LYS 28 17.901 -4.312 12.736 239 HD3 LYS 28 2HD LYS 28 18.042 -4.799 11.061 240 HE2 LYS 28 1HE LYS 28 20.232 -4.435 11.604 241 HE3 LYS 28 2HE LYS 28 19.796 -2.955 10.753 242 HZ1 LYS 28 3HZ LYS 28 19.696 -1.805 12.849 243 HZ2 LYS 28 1HZ LYS 28 21.080 -2.659 12.871 244 HZ3 LYS 28 2HZ LYS 28 19.799 -3.192 13.721 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 -15.624 -5.988 -12.050 2 H2 ASN 1 2H ASN 1 -14.572 -5.698 -10.827 3 H3 ASN 1 3H ASN 1 -15.004 -4.486 -11.838 4 HA ASN 1 HA ASN 1 -13.551 -6.903 -12.696 5 HB2 ASN 1 1HB ASN 1 -14.131 -4.274 -14.152 6 HB3 ASN 1 2HB ASN 1 -12.973 -5.479 -14.708 7 HD21 ASN 1 2HD2 ASN 1 -13.986 -6.262 -16.615 8 HD22 ASN 1 1HD2 ASN 1 -15.599 -6.948 -16.568 9 H GLU 2 H GLU 2 -11.348 -6.932 -12.606 10 HA GLU 2 HA GLU 2 -9.913 -5.343 -10.758 11 HB2 GLU 2 1HB GLU 2 -9.244 -7.290 -12.945 12 HB3 GLU 2 2HB GLU 2 -7.923 -6.306 -12.305 13 HG2 GLU 2 1HG GLU 2 -8.132 -7.148 -10.126 14 HG3 GLU 2 2HG GLU 2 -9.774 -7.734 -10.390 15 H GLN 3 H GLN 3 -10.027 -4.939 -14.336 16 HA GLN 3 HA GLN 3 -8.235 -2.709 -14.338 17 HB2 GLN 3 1HB GLN 3 -8.703 -2.452 -16.614 18 HB3 GLN 3 2HB GLN 3 -8.757 -4.166 -16.270 19 HG2 GLN 3 1HG GLN 3 -10.578 -3.968 -17.647 20 HG3 GLN 3 2HG GLN 3 -11.370 -3.813 -16.084 21 HE21 GLN 3 2HE2 GLN 3 -12.979 -2.168 -16.225 22 HE22 GLN 3 1HE2 GLN 3 -12.752 -0.712 -17.184 23 H GLU 4 H GLU 4 -11.654 -2.819 -13.576 24 HA GLU 4 HA GLU 4 -12.123 0.057 -13.888 25 HB2 GLU 4 1HB GLU 4 -13.921 -1.490 -14.303 26 HB3 GLU 4 2HB GLU 4 -13.769 -2.217 -12.702 27 HG2 GLU 4 1HG GLU 4 -14.666 -0.385 -11.609 28 HG3 GLU 4 2HG GLU 4 -14.254 0.743 -12.904 29 H LEU 5 H LEU 5 -11.707 -2.249 -11.173 30 HA LEU 5 HA LEU 5 -11.550 -0.176 -9.142 31 HB2 LEU 5 1HB LEU 5 -11.433 -3.145 -9.285 32 HB3 LEU 5 2HB LEU 5 -10.442 -2.465 -8.005 33 HG LEU 5 HG LEU 5 -13.306 -1.541 -8.400 34 HD11 LEU 5 1HD1 LEU 5 -13.993 -3.156 -6.662 35 HD12 LEU 5 2HD1 LEU 5 -12.377 -3.900 -6.719 36 HD13 LEU 5 3HD1 LEU 5 -13.440 -3.958 -8.143 37 HD21 LEU 5 3HD2 LEU 5 -11.391 -0.483 -6.798 38 HD22 LEU 5 1HD2 LEU 5 -11.982 -1.744 -5.710 39 HD23 LEU 5 2HD2 LEU 5 -13.103 -0.524 -6.351 40 H LEU 6 H LEU 6 -9.272 -1.046 -11.439 41 HA LEU 6 HA LEU 6 -6.835 -1.048 -10.156 42 HB2 LEU 6 1HB LEU 6 -7.539 -1.213 -12.712 43 HB3 LEU 6 2HB LEU 6 -7.205 0.509 -12.727 44 HG LEU 6 HG LEU 6 -4.906 -0.402 -11.522 45 HD11 LEU 6 1HD1 LEU 6 -5.681 -2.778 -11.692 46 HD12 LEU 6 2HD1 LEU 6 -4.189 -2.477 -12.604 47 HD13 LEU 6 3HD1 LEU 6 -5.740 -2.609 -13.459 48 HD21 LEU 6 3HD2 LEU 6 -4.960 1.030 -13.496 49 HD22 LEU 6 1HD2 LEU 6 -5.452 -0.341 -14.515 50 HD23 LEU 6 2HD2 LEU 6 -3.845 -0.323 -13.754 51 H GLU 7 H GLU 7 -8.817 1.791 -10.828 52 HA GLU 7 HA GLU 7 -6.934 3.852 -10.174 53 HB2 GLU 7 1HB GLU 7 -8.878 5.298 -9.965 54 HB3 GLU 7 2HB GLU 7 -8.995 4.266 -11.389 55 HG2 GLU 7 1HG GLU 7 -10.538 2.739 -10.063 56 HG3 GLU 7 2HG GLU 7 -10.477 3.902 -8.747 57 H LEU 8 H LEU 8 -8.937 1.823 -8.114 58 HA LEU 8 HA LEU 8 -8.230 3.285 -5.640 59 HB2 LEU 8 1HB LEU 8 -10.474 1.855 -6.436 60 HB3 LEU 8 2HB LEU 8 -9.616 0.646 -5.508 61 HG LEU 8 HG LEU 8 -11.251 1.796 -4.170 62 HD11 LEU 8 1HD1 LEU 8 -9.956 2.480 -2.247 63 HD12 LEU 8 2HD1 LEU 8 -8.514 2.747 -3.242 64 HD13 LEU 8 3HD1 LEU 8 -9.151 1.103 -3.028 65 HD21 LEU 8 3HD2 LEU 8 -11.557 4.041 -3.946 66 HD22 LEU 8 1HD2 LEU 8 -10.875 4.038 -5.580 67 HD23 LEU 8 2HD2 LEU 8 -9.846 4.447 -4.195 68 H ASP 9 H ASP 9 -7.408 0.321 -7.389 69 HA ASP 9 HA ASP 9 -5.883 -1.048 -5.479 70 HB2 ASP 9 1HB ASP 9 -6.520 -1.837 -7.785 71 HB3 ASP 9 2HB ASP 9 -5.230 -0.827 -8.435 72 H LYS 10 H LYS 10 -4.892 1.757 -7.410 73 HA LYS 10 HA LYS 10 -2.110 1.810 -6.623 74 HB2 LYS 10 1HB LYS 10 -3.837 4.236 -7.287 75 HB3 LYS 10 2HB LYS 10 -2.083 4.125 -7.338 76 HG2 LYS 10 1HG LYS 10 -4.099 2.916 -9.236 77 HG3 LYS 10 2HG LYS 10 -2.845 4.100 -9.567 78 HD2 LYS 10 1HD LYS 10 -1.116 2.300 -9.085 79 HD3 LYS 10 2HD LYS 10 -2.457 1.135 -8.980 80 HE2 LYS 10 1HE LYS 10 -3.175 1.847 -11.290 81 HE3 LYS 10 2HE LYS 10 -1.733 2.867 -11.382 82 HZ1 LYS 10 3HZ LYS 10 -0.386 0.837 -11.086 83 HZ2 LYS 10 1HZ LYS 10 -1.317 0.727 -12.419 84 HZ3 LYS 10 2HZ LYS 10 -1.731 -0.091 -11.067 85 H TRP 11 H TRP 11 -4.906 3.519 -5.263 86 HA TRP 11 HA TRP 11 -3.575 4.748 -3.027 87 HB2 TRP 11 1HB TRP 11 -6.441 4.152 -3.754 88 HB3 TRP 11 2HB TRP 11 -6.051 4.588 -2.104 89 HD1 TRP 11 HD1 TRP 11 -4.412 6.272 -5.168 90 HE1 TRP 11 HE1 TRP 11 -4.966 8.785 -5.106 91 HE3 TRP 11 HE3 TRP 11 -7.694 6.301 -1.225 92 HZ2 TRP 11 HZ2 TRP 11 -6.586 10.573 -3.542 93 HZ3 TRP 11 HZ3 TRP 11 -8.731 8.434 -0.474 94 HH2 TRP 11 HH2 TRP 11 -8.181 10.569 -1.616 95 H ALA 12 H ALA 12 -5.339 1.619 -3.259 96 HA ALA 12 HA ALA 12 -4.871 0.851 -0.541 97 HB1 ALA 12 3HB ALA 12 -5.301 -0.895 -3.002 98 HB2 ALA 12 1HB ALA 12 -5.517 -1.381 -1.304 99 HB3 ALA 12 2HB ALA 12 -6.580 -0.152 -2.015 100 H SER 13 H SER 13 -2.911 0.243 -3.488 101 HA SER 13 HA SER 13 -0.899 -1.387 -2.334 102 HB2 SER 13 1HB SER 13 -0.785 0.551 -4.672 103 HB3 SER 13 2HB SER 13 0.567 -0.487 -4.196 104 HG SER 13 HG SER 13 -2.021 -1.245 -5.069 105 H LEU 14 H LEU 14 -0.700 2.193 -2.848 106 HA LEU 14 HA LEU 14 1.796 2.436 -1.471 107 HB2 LEU 14 1HB LEU 14 1.529 4.773 -1.607 108 HB3 LEU 14 2HB LEU 14 0.868 4.052 -3.069 109 HG LEU 14 HG LEU 14 -1.430 4.304 -1.758 110 HD11 LEU 14 1HD1 LEU 14 -0.208 5.316 0.314 111 HD12 LEU 14 2HD1 LEU 14 -1.601 6.194 -0.324 112 HD13 LEU 14 3HD1 LEU 14 0.051 6.738 -0.693 113 HD21 LEU 14 3HD2 LEU 14 -0.947 5.349 -3.906 114 HD22 LEU 14 1HD2 LEU 14 -0.003 6.622 -3.102 115 HD23 LEU 14 2HD2 LEU 14 -1.757 6.500 -2.830 116 H TRP 15 H TRP 15 -1.480 2.754 -0.293 117 HA TRP 15 HA TRP 15 -0.991 3.462 2.417 118 HB2 TRP 15 1HB TRP 15 -3.201 3.457 1.339 119 HB3 TRP 15 2HB TRP 15 -3.205 1.696 1.307 120 HD1 TRP 15 HD1 TRP 15 -3.928 0.465 3.492 121 HE1 TRP 15 HE1 TRP 15 -4.878 1.234 5.766 122 HE3 TRP 15 HE3 TRP 15 -3.030 5.492 3.096 123 HZ2 TRP 15 HZ2 TRP 15 -5.179 3.700 7.222 124 HZ3 TRP 15 HZ3 TRP 15 -3.663 7.035 4.945 125 HH2 TRP 15 HH2 TRP 15 -4.730 6.152 7.006 126 H ASN 16 H ASN 16 -1.225 0.148 1.021 127 HA ASN 16 HA ASN 16 -0.549 -1.183 3.472 128 HB2 ASN 16 1HB ASN 16 -1.655 -2.089 1.280 129 HB3 ASN 16 2HB ASN 16 -0.002 -2.352 0.724 130 HD21 ASN 16 2HD2 ASN 16 1.310 -3.987 1.951 131 HD22 ASN 16 1HD2 ASN 16 0.446 -5.107 2.996 132 H TRP 17 H TRP 17 1.514 0.018 0.795 133 HA TRP 17 HA TRP 17 3.996 -1.034 1.746 134 HB2 TRP 17 1HB TRP 17 3.733 -0.080 -0.494 135 HB3 TRP 17 2HB TRP 17 3.463 1.516 0.189 136 HD1 TRP 17 HD1 TRP 17 6.272 -1.137 0.615 137 HE1 TRP 17 HE1 TRP 17 8.556 0.020 0.427 138 HE3 TRP 17 HE3 TRP 17 4.698 3.697 -0.101 139 HZ2 TRP 17 HZ2 TRP 17 9.575 2.669 0.033 140 HZ3 TRP 17 HZ3 TRP 17 6.369 5.523 -0.362 141 HH2 TRP 17 HH2 TRP 17 8.801 5.023 -0.301 142 H PHE 18 H PHE 18 2.390 2.067 2.539 143 HA PHE 18 HA PHE 18 4.343 3.249 4.110 144 HB2 PHE 18 1HB PHE 18 1.668 3.752 3.505 145 HB3 PHE 18 2HB PHE 18 1.633 3.571 5.241 146 HD1 PHE 18 HD2 PHE 18 3.728 4.893 6.479 147 HD2 PHE 18 HD1 PHE 18 1.972 5.894 2.661 148 HE1 PHE 18 HE2 PHE 18 4.557 7.220 6.700 149 HE2 PHE 18 HE1 PHE 18 2.791 8.223 2.901 150 HZ PHE 18 HZ PHE 18 4.089 8.890 4.917 151 H ASN 19 H ASN 19 2.107 0.698 5.166 152 HA ASN 19 HA ASN 19 2.839 0.684 7.954 153 HB2 ASN 19 1HB ASN 19 1.719 -1.481 6.121 154 HB3 ASN 19 2HB ASN 19 2.034 -1.740 7.833 155 HD21 ASN 19 2HD2 ASN 19 -0.545 -2.025 6.681 156 HD22 ASN 19 1HD2 ASN 19 -1.535 -0.779 7.435 157 H ILE 20 H ILE 20 4.197 -1.118 5.169 158 HA ILE 20 HA ILE 20 6.203 -2.552 6.658 159 HB ILE 20 HB ILE 20 6.247 -1.744 3.734 160 HG12 ILE 20 1HG1 ILE 20 4.251 -3.033 4.081 161 HG13 ILE 20 2HG1 ILE 20 5.447 -4.038 3.292 162 HG21 ILE 20 1HG2 ILE 20 7.768 -3.726 3.502 163 HG22 ILE 20 2HG2 ILE 20 8.466 -2.380 4.396 164 HG23 ILE 20 3HG2 ILE 20 7.873 -3.801 5.275 165 HD11 ILE 20 3HD1 ILE 20 4.624 -4.180 6.222 166 HD12 ILE 20 1HD1 ILE 20 4.289 -5.359 4.946 167 HD13 ILE 20 2HD1 ILE 20 5.953 -5.130 5.511 168 H THR 21 H THR 21 6.288 0.638 4.988 169 HA THR 21 HA THR 21 9.016 1.201 5.429 170 HB THR 21 HB THR 21 7.144 3.518 5.706 171 HG1 THR 21 HG1 THR 21 7.375 2.016 3.311 172 HG21 THR 21 3HG2 THR 21 9.447 2.901 3.798 173 HG22 THR 21 1HG2 THR 21 9.610 3.775 5.341 174 HG23 THR 21 2HG2 THR 21 8.652 4.473 4.020 175 H ASN 22 H ASN 22 6.270 1.700 7.641 176 HA ASN 22 HA ASN 22 7.924 2.854 9.766 177 HB2 ASN 22 1HB ASN 22 5.516 3.385 9.482 178 HB3 ASN 22 2HB ASN 22 5.099 1.702 9.825 179 HD21 ASN 22 2HD2 ASN 22 4.330 1.518 11.936 180 HD22 ASN 22 1HD2 ASN 22 4.990 2.447 13.275 181 H TRP 23 H TRP 23 6.578 -0.405 9.091 182 HA TRP 23 HA TRP 23 7.407 -1.663 11.489 183 HB2 TRP 23 1HB TRP 23 5.776 -2.515 9.762 184 HB3 TRP 23 2HB TRP 23 7.151 -2.968 8.763 185 HD1 TRP 23 HD1 TRP 23 6.453 -3.547 12.545 186 HE1 TRP 23 HE1 TRP 23 6.619 -6.058 13.062 187 HE3 TRP 23 HE3 TRP 23 7.424 -5.302 7.821 188 HZ2 TRP 23 HZ2 TRP 23 7.007 -8.506 11.617 189 HZ3 TRP 23 HZ3 TRP 23 7.680 -7.745 7.427 190 HH2 TRP 23 HH2 TRP 23 7.469 -9.352 9.309 191 H LEU 24 H LEU 24 9.287 -0.989 8.585 192 HA LEU 24 HA LEU 24 11.541 -2.592 8.954 193 HB2 LEU 24 1HB LEU 24 10.929 -0.078 7.562 194 HB3 LEU 24 2HB LEU 24 12.533 -0.004 8.270 195 HG LEU 24 HG LEU 24 13.017 -2.264 7.171 196 HD11 LEU 24 1HD1 LEU 24 10.642 -2.873 6.655 197 HD12 LEU 24 2HD1 LEU 24 11.666 -2.852 5.208 198 HD13 LEU 24 3HD1 LEU 24 10.558 -1.501 5.532 199 HD21 LEU 24 3HD2 LEU 24 13.491 -1.216 4.985 200 HD22 LEU 24 1HD2 LEU 24 13.920 -0.143 6.326 201 HD23 LEU 24 2HD2 LEU 24 12.429 0.148 5.403 202 H TRP 25 H TRP 25 10.902 0.515 10.587 203 HA TRP 25 HA TRP 25 13.268 0.559 12.226 204 HB2 TRP 25 1HB TRP 25 10.775 2.106 11.957 205 HB3 TRP 25 2HB TRP 25 11.246 1.920 13.630 206 HD1 TRP 25 HD1 TRP 25 11.901 4.034 10.717 207 HE1 TRP 25 HE1 TRP 25 13.907 5.604 11.128 208 HE3 TRP 25 HE3 TRP 25 13.849 1.804 14.902 209 HZ2 TRP 25 HZ2 TRP 25 16.072 5.843 13.010 210 HZ3 TRP 25 HZ3 TRP 25 15.891 2.719 15.980 211 HH2 TRP 25 HH2 TRP 25 17.009 4.733 15.048 212 H TYR 26 H TYR 26 10.231 -1.185 12.617 213 HA TYR 26 HA TYR 26 10.666 -1.823 15.424 214 HB2 TYR 26 1HB TYR 26 8.458 -1.874 13.819 215 HB3 TYR 26 2HB TYR 26 8.903 -3.574 13.775 216 HD1 TYR 26 HD2 TYR 26 7.910 -0.718 15.896 217 HD2 TYR 26 HD1 TYR 26 8.774 -4.944 15.846 218 HE1 TYR 26 HE2 TYR 26 6.977 -0.939 18.208 219 HE2 TYR 26 HE1 TYR 26 7.845 -5.162 18.150 220 HH TYR 26 HH TYR 26 6.952 -4.067 19.951 221 H ILE 27 H ILE 27 11.313 -3.429 12.318 222 HA ILE 27 HA ILE 27 12.314 -5.905 13.468 223 HB ILE 27 HB ILE 27 12.736 -4.693 10.710 224 HG12 ILE 27 1HG1 ILE 27 10.383 -5.071 10.992 225 HG13 ILE 27 2HG1 ILE 27 11.054 -6.280 9.934 226 HG21 ILE 27 1HG2 ILE 27 13.286 -7.532 11.683 227 HG22 ILE 27 2HG2 ILE 27 13.251 -7.033 9.981 228 HG23 ILE 27 3HG2 ILE 27 14.469 -6.373 11.070 229 HD11 ILE 27 3HD1 ILE 27 9.836 -6.574 12.654 230 HD12 ILE 27 1HD1 ILE 27 9.722 -7.627 11.228 231 HD13 ILE 27 2HD1 ILE 27 11.147 -7.705 12.257 232 H LYS 28 H LYS 28 14.012 -3.098 12.035 233 HA LYS 28 HA LYS 28 16.669 -4.185 12.732 234 HB2 LYS 28 1HB LYS 28 15.818 -1.584 11.398 235 HB3 LYS 28 2HB LYS 28 17.474 -1.948 11.850 236 HG2 LYS 28 1HG LYS 28 17.377 -2.477 9.598 237 HG3 LYS 28 2HG LYS 28 17.372 -4.041 10.415 238 HD2 LYS 28 1HD LYS 28 14.972 -4.296 9.977 239 HD3 LYS 28 2HD LYS 28 14.863 -2.616 9.447 240 HE2 LYS 28 1HE LYS 28 14.804 -3.750 7.455 241 HE3 LYS 28 2HE LYS 28 16.481 -3.218 7.559 242 HZ1 LYS 28 3HZ LYS 28 15.554 -5.946 8.318 243 HZ2 LYS 28 1HZ LYS 28 17.113 -5.456 8.191 244 HZ3 LYS 28 2HZ LYS 28 16.177 -5.575 6.861 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 -10.077 -8.416 -17.110 2 H2 ASN 1 2H ASN 1 -11.549 -7.878 -16.636 3 H3 ASN 1 3H ASN 1 -10.879 -7.294 -18.007 4 HA ASN 1 HA ASN 1 -9.855 -6.910 -15.284 5 HB2 ASN 1 1HB ASN 1 -8.132 -5.531 -16.091 6 HB3 ASN 1 2HB ASN 1 -8.067 -6.956 -17.108 7 HD21 ASN 1 2HD2 ASN 1 -8.722 -6.697 -19.471 8 HD22 ASN 1 1HD2 ASN 1 -8.884 -5.063 -20.076 9 H GLU 2 H GLU 2 -10.463 -5.048 -14.201 10 HA GLU 2 HA GLU 2 -12.496 -3.287 -15.507 11 HB2 GLU 2 1HB GLU 2 -12.787 -5.025 -13.058 12 HB3 GLU 2 2HB GLU 2 -13.443 -3.404 -13.006 13 HG2 GLU 2 1HG GLU 2 -15.247 -4.616 -13.694 14 HG3 GLU 2 2HG GLU 2 -14.672 -3.851 -15.163 15 H GLN 3 H GLN 3 -11.878 -1.283 -15.457 16 HA GLN 3 HA GLN 3 -9.775 -0.203 -13.946 17 HB2 GLN 3 1HB GLN 3 -10.472 1.947 -14.754 18 HB3 GLN 3 2HB GLN 3 -10.610 0.744 -16.033 19 HG2 GLN 3 1HG GLN 3 -13.098 0.614 -15.570 20 HG3 GLN 3 2HG GLN 3 -12.910 1.933 -14.410 21 HE21 GLN 3 2HE2 GLN 3 -11.697 3.988 -15.428 22 HE22 GLN 3 1HE2 GLN 3 -12.255 4.371 -17.052 23 H GLU 4 H GLU 4 -13.172 -0.479 -12.996 24 HA GLU 4 HA GLU 4 -13.222 1.333 -10.793 25 HB2 GLU 4 1HB GLU 4 -14.680 -1.290 -11.313 26 HB3 GLU 4 2HB GLU 4 -14.920 -0.350 -9.838 27 HG2 GLU 4 1HG GLU 4 -15.475 1.653 -11.309 28 HG3 GLU 4 2HG GLU 4 -15.535 0.535 -12.676 29 H LEU 5 H LEU 5 -12.169 -2.074 -10.886 30 HA LEU 5 HA LEU 5 -11.435 -2.088 -8.047 31 HB2 LEU 5 1HB LEU 5 -12.158 -4.029 -9.837 32 HB3 LEU 5 2HB LEU 5 -10.412 -4.226 -9.883 33 HG LEU 5 HG LEU 5 -12.056 -4.165 -7.302 34 HD11 LEU 5 1HD1 LEU 5 -11.924 -6.636 -7.334 35 HD12 LEU 5 2HD1 LEU 5 -11.207 -6.571 -8.961 36 HD13 LEU 5 3HD1 LEU 5 -12.868 -5.998 -8.685 37 HD21 LEU 5 3HD2 LEU 5 -10.136 -5.389 -6.338 38 HD22 LEU 5 1HD2 LEU 5 -9.645 -3.807 -6.938 39 HD23 LEU 5 2HD2 LEU 5 -9.270 -5.265 -7.886 40 H LEU 6 H LEU 6 -9.763 -1.739 -11.169 41 HA LEU 6 HA LEU 6 -7.110 -1.797 -10.215 42 HB2 LEU 6 1HB LEU 6 -8.049 -1.816 -12.656 43 HB3 LEU 6 2HB LEU 6 -8.020 -0.056 -12.519 44 HG LEU 6 HG LEU 6 -5.517 -0.319 -11.882 45 HD11 LEU 6 1HD1 LEU 6 -5.700 -2.854 -11.510 46 HD12 LEU 6 2HD1 LEU 6 -4.382 -2.322 -12.559 47 HD13 LEU 6 3HD1 LEU 6 -5.858 -3.013 -13.268 48 HD21 LEU 6 3HD2 LEU 6 -6.433 -1.124 -14.671 49 HD22 LEU 6 1HD2 LEU 6 -4.832 -0.482 -14.239 50 HD23 LEU 6 2HD2 LEU 6 -6.277 0.535 -14.067 51 H GLU 7 H GLU 7 -9.334 1.013 -10.291 52 HA GLU 7 HA GLU 7 -7.482 3.045 -9.539 53 HB2 GLU 7 1HB GLU 7 -10.427 2.681 -8.853 54 HB3 GLU 7 2HB GLU 7 -9.480 4.069 -8.313 55 HG2 GLU 7 1HG GLU 7 -8.868 4.470 -10.764 56 HG3 GLU 7 2HG GLU 7 -10.154 3.338 -11.174 57 H LEU 8 H LEU 8 -9.184 0.715 -7.470 58 HA LEU 8 HA LEU 8 -7.991 1.708 -4.975 59 HB2 LEU 8 1HB LEU 8 -9.665 -0.720 -5.713 60 HB3 LEU 8 2HB LEU 8 -9.077 -0.438 -4.078 61 HG LEU 8 HG LEU 8 -10.703 1.697 -5.519 62 HD11 LEU 8 1HD1 LEU 8 -11.772 -0.621 -3.864 63 HD12 LEU 8 2HD1 LEU 8 -12.046 -0.334 -5.599 64 HD13 LEU 8 3HD1 LEU 8 -12.709 0.794 -4.406 65 HD21 LEU 8 3HD2 LEU 8 -11.263 2.383 -3.233 66 HD22 LEU 8 1HD2 LEU 8 -9.505 2.330 -3.419 67 HD23 LEU 8 2HD2 LEU 8 -10.344 1.018 -2.564 68 H ASP 9 H ASP 9 -7.277 -0.895 -7.287 69 HA ASP 9 HA ASP 9 -5.308 -2.293 -5.815 70 HB2 ASP 9 1HB ASP 9 -6.323 -2.910 -8.073 71 HB3 ASP 9 2HB ASP 9 -5.217 -1.751 -8.804 72 H LYS 10 H LYS 10 -4.933 0.625 -7.832 73 HA LYS 10 HA LYS 10 -2.101 1.047 -7.456 74 HB2 LYS 10 1HB LYS 10 -4.443 2.913 -8.012 75 HB3 LYS 10 2HB LYS 10 -2.777 3.487 -7.948 76 HG2 LYS 10 1HG LYS 10 -2.137 2.437 -9.887 77 HG3 LYS 10 2HG LYS 10 -3.353 1.156 -9.770 78 HD2 LYS 10 1HD LYS 10 -5.098 2.503 -10.523 79 HD3 LYS 10 2HD LYS 10 -4.242 4.023 -10.201 80 HE2 LYS 10 1HE LYS 10 -2.797 3.785 -12.039 81 HE3 LYS 10 2HE LYS 10 -3.112 2.054 -12.203 82 HZ1 LYS 10 3HZ LYS 10 -4.259 3.370 -13.912 83 HZ2 LYS 10 1HZ LYS 10 -5.110 4.180 -12.780 84 HZ3 LYS 10 2HZ LYS 10 -5.340 2.573 -12.986 85 H TRP 11 H TRP 11 -4.901 2.262 -5.634 86 HA TRP 11 HA TRP 11 -3.434 3.802 -3.727 87 HB2 TRP 11 1HB TRP 11 -6.051 3.576 -4.352 88 HB3 TRP 11 2HB TRP 11 -6.042 2.563 -2.916 89 HD1 TRP 11 HD1 TRP 11 -6.429 3.903 -0.746 90 HE1 TRP 11 HE1 TRP 11 -6.226 6.366 -0.005 91 HE3 TRP 11 HE3 TRP 11 -4.411 5.880 -5.019 92 HZ2 TRP 11 HZ2 TRP 11 -5.279 8.855 -1.113 93 HZ3 TRP 11 HZ3 TRP 11 -3.851 8.301 -5.146 94 HH2 TRP 11 HH2 TRP 11 -4.279 9.792 -3.207 95 H ALA 12 H ALA 12 -4.434 0.378 -3.641 96 HA ALA 12 HA ALA 12 -3.517 -0.200 -1.011 97 HB1 ALA 12 3HB ALA 12 -3.647 -2.030 -3.443 98 HB2 ALA 12 1HB ALA 12 -3.574 -2.535 -1.743 99 HB3 ALA 12 2HB ALA 12 -4.995 -1.662 -2.344 100 H SER 13 H SER 13 -1.668 0.117 -4.021 101 HA SER 13 HA SER 13 0.730 -1.191 -3.198 102 HB2 SER 13 1HB SER 13 0.118 -0.492 -5.548 103 HB3 SER 13 2HB SER 13 0.535 1.171 -5.104 104 HG SER 13 HG SER 13 2.227 -1.118 -5.192 105 H LEU 14 H LEU 14 0.105 2.357 -3.248 106 HA LEU 14 HA LEU 14 2.432 3.044 -1.734 107 HB2 LEU 14 1HB LEU 14 1.594 5.247 -1.652 108 HB3 LEU 14 2HB LEU 14 1.167 4.553 -3.209 109 HG LEU 14 HG LEU 14 -1.149 4.085 -1.984 110 HD11 LEU 14 1HD1 LEU 14 -0.410 6.707 -0.648 111 HD12 LEU 14 2HD1 LEU 14 -0.205 5.182 0.211 112 HD13 LEU 14 3HD1 LEU 14 -1.810 5.652 -0.356 113 HD21 LEU 14 3HD2 LEU 14 -0.320 6.795 -3.064 114 HD22 LEU 14 1HD2 LEU 14 -1.995 6.239 -2.846 115 HD23 LEU 14 2HD2 LEU 14 -0.934 5.414 -4.001 116 H TRP 15 H TRP 15 -0.856 2.431 -0.706 117 HA TRP 15 HA TRP 15 -0.651 2.968 2.069 118 HB2 TRP 15 1HB TRP 15 -2.761 2.544 0.906 119 HB3 TRP 15 2HB TRP 15 -2.321 0.857 0.664 120 HD1 TRP 15 HD1 TRP 15 -2.434 -0.764 2.770 121 HE1 TRP 15 HE1 TRP 15 -3.682 -0.619 5.022 122 HE3 TRP 15 HE3 TRP 15 -3.613 4.226 2.740 123 HZ2 TRP 15 HZ2 TRP 15 -4.983 1.394 6.607 124 HZ3 TRP 15 HZ3 TRP 15 -4.873 5.229 4.638 125 HH2 TRP 15 HH2 TRP 15 -5.557 3.828 6.572 126 H ASN 16 H ASN 16 -0.104 -0.225 0.476 127 HA ASN 16 HA ASN 16 0.806 -1.571 2.849 128 HB2 ASN 16 1HB ASN 16 1.130 -2.087 -0.127 129 HB3 ASN 16 2HB ASN 16 2.035 -3.030 1.049 130 HD21 ASN 16 2HD2 ASN 16 -1.121 -2.533 -0.316 131 HD22 ASN 16 1HD2 ASN 16 -1.875 -3.878 0.557 132 H TRP 17 H TRP 17 2.688 0.178 0.317 133 HA TRP 17 HA TRP 17 5.257 -0.240 1.445 134 HB2 TRP 17 1HB TRP 17 4.892 0.677 -0.788 135 HB3 TRP 17 2HB TRP 17 4.208 2.148 -0.106 136 HD1 TRP 17 HD1 TRP 17 7.527 0.331 -0.580 137 HE1 TRP 17 HE1 TRP 17 9.484 1.956 -0.159 138 HE3 TRP 17 HE3 TRP 17 4.886 4.359 1.181 139 HZ2 TRP 17 HZ2 TRP 17 9.850 4.639 0.816 140 HZ3 TRP 17 HZ3 TRP 17 6.071 6.427 1.880 141 HH2 TRP 17 HH2 TRP 17 8.544 6.583 1.694 142 H PHE 18 H PHE 18 2.945 2.416 2.174 143 HA PHE 18 HA PHE 18 4.519 3.752 4.122 144 HB2 PHE 18 1HB PHE 18 1.671 3.703 3.307 145 HB3 PHE 18 2HB PHE 18 1.878 4.021 5.009 146 HD1 PHE 18 HD1 PHE 18 4.041 5.709 5.472 147 HD2 PHE 18 HD2 PHE 18 1.401 5.685 2.058 148 HE1 PHE 18 HE1 PHE 18 4.515 8.114 5.090 149 HE2 PHE 18 HE2 PHE 18 1.861 8.099 1.693 150 HZ PHE 18 HZ PHE 18 3.421 9.315 3.204 151 H ASN 19 H ASN 19 2.615 0.807 4.435 152 HA ASN 19 HA ASN 19 2.737 0.687 7.330 153 HB2 ASN 19 1HB ASN 19 1.278 -0.633 5.419 154 HB3 ASN 19 2HB ASN 19 2.501 -1.853 5.760 155 HD21 ASN 19 2HD2 ASN 19 -0.539 -0.881 6.626 156 HD22 ASN 19 1HD2 ASN 19 -0.540 -1.480 8.281 157 H ILE 20 H ILE 20 4.692 -0.775 4.707 158 HA ILE 20 HA ILE 20 6.571 -2.153 6.357 159 HB ILE 20 HB ILE 20 7.001 -1.043 3.570 160 HG12 ILE 20 1HG1 ILE 20 5.122 -2.544 3.497 161 HG13 ILE 20 2HG1 ILE 20 6.510 -3.334 2.798 162 HG21 ILE 20 1HG2 ILE 20 8.568 -3.123 5.152 163 HG22 ILE 20 2HG2 ILE 20 8.729 -2.859 3.402 164 HG23 ILE 20 3HG2 ILE 20 9.158 -1.571 4.526 165 HD11 ILE 20 3HD1 ILE 20 6.804 -4.661 4.904 166 HD12 ILE 20 1HD1 ILE 20 5.346 -3.878 5.564 167 HD13 ILE 20 2HD1 ILE 20 5.229 -4.908 4.132 168 H THR 21 H THR 21 6.828 1.226 5.030 169 HA THR 21 HA THR 21 9.399 1.736 6.195 170 HB THR 21 HB THR 21 8.657 4.183 6.183 171 HG1 THR 21 HG1 THR 21 6.853 4.529 4.801 172 HG21 THR 21 3HG2 THR 21 10.013 3.174 4.400 173 HG22 THR 21 1HG2 THR 21 8.871 4.365 3.766 174 HG23 THR 21 2HG2 THR 21 8.533 2.627 3.570 175 H ASN 22 H ASN 22 6.154 2.024 7.648 176 HA ASN 22 HA ASN 22 7.246 3.063 10.151 177 HB2 ASN 22 1HB ASN 22 4.590 2.574 9.035 178 HB3 ASN 22 2HB ASN 22 4.692 1.891 10.649 179 HD21 ASN 22 2HD2 ASN 22 5.908 3.458 12.308 180 HD22 ASN 22 1HD2 ASN 22 5.349 5.121 12.182 181 H TRP 23 H TRP 23 6.455 -0.199 8.957 182 HA TRP 23 HA TRP 23 6.844 -1.547 11.450 183 HB2 TRP 23 1HB TRP 23 5.660 -2.403 9.378 184 HB3 TRP 23 2HB TRP 23 7.241 -2.705 8.673 185 HD1 TRP 23 HD1 TRP 23 6.119 -3.512 12.298 186 HE1 TRP 23 HE1 TRP 23 6.232 -6.039 12.692 187 HE3 TRP 23 HE3 TRP 23 7.510 -5.016 7.591 188 HZ2 TRP 23 HZ2 TRP 23 6.749 -8.409 11.164 189 HZ3 TRP 23 HZ3 TRP 23 7.812 -7.436 7.099 190 HH2 TRP 23 HH2 TRP 23 7.426 -9.138 8.869 191 H LEU 24 H LEU 24 9.170 -0.524 9.017 192 HA LEU 24 HA LEU 24 11.446 -1.970 9.656 193 HB2 LEU 24 1HB LEU 24 10.879 0.559 8.363 194 HB3 LEU 24 2HB LEU 24 12.201 0.824 9.481 195 HG LEU 24 HG LEU 24 13.312 -1.268 8.423 196 HD11 LEU 24 1HD1 LEU 24 12.628 -1.746 6.102 197 HD12 LEU 24 2HD1 LEU 24 11.280 -0.596 6.243 198 HD13 LEU 24 3HD1 LEU 24 11.287 -2.082 7.212 199 HD21 LEU 24 3HD2 LEU 24 14.140 0.994 8.047 200 HD22 LEU 24 1HD2 LEU 24 12.901 1.279 6.804 201 HD23 LEU 24 2HD2 LEU 24 14.189 0.083 6.529 202 H TRP 25 H TRP 25 10.136 0.726 11.525 203 HA TRP 25 HA TRP 25 12.165 1.009 13.506 204 HB2 TRP 25 1HB TRP 25 9.166 1.508 13.663 205 HB3 TRP 25 2HB TRP 25 10.347 2.071 14.827 206 HD1 TRP 25 HD1 TRP 25 9.510 2.585 11.075 207 HE1 TRP 25 HE1 TRP 25 10.133 4.974 10.401 208 HE3 TRP 25 HE3 TRP 25 11.616 4.144 15.481 209 HZ2 TRP 25 HZ2 TRP 25 11.348 7.282 11.617 210 HZ3 TRP 25 HZ3 TRP 25 12.486 6.465 15.696 211 HH2 TRP 25 HH2 TRP 25 12.360 8.038 13.777 212 H TYR 26 H TYR 26 9.450 -1.277 13.297 213 HA TYR 26 HA TYR 26 9.741 -2.316 15.997 214 HB2 TYR 26 1HB TYR 26 7.743 -2.383 14.102 215 HB3 TYR 26 2HB TYR 26 8.418 -3.989 13.918 216 HD1 TYR 26 HD2 TYR 26 8.667 -5.439 16.085 217 HD2 TYR 26 HD1 TYR 26 6.331 -1.820 15.879 218 HE1 TYR 26 HE2 TYR 26 7.445 -6.106 18.161 219 HE2 TYR 26 HE1 TYR 26 5.099 -2.495 17.943 220 HH TYR 26 HH TYR 26 4.877 -4.059 19.594 221 H ILE 27 H ILE 27 10.801 -3.305 12.753 222 HA ILE 27 HA ILE 27 11.997 -5.815 13.538 223 HB ILE 27 HB ILE 27 12.551 -4.091 11.090 224 HG12 ILE 27 1HG1 ILE 27 10.218 -4.626 11.044 225 HG13 ILE 27 2HG1 ILE 27 11.049 -5.638 9.896 226 HG21 ILE 27 1HG2 ILE 27 13.239 -6.997 11.685 227 HG22 ILE 27 2HG2 ILE 27 13.263 -6.289 10.057 228 HG23 ILE 27 3HG2 ILE 27 14.351 -5.672 11.299 229 HD11 ILE 27 3HD1 ILE 27 10.987 -7.490 11.734 230 HD12 ILE 27 1HD1 ILE 27 9.826 -6.419 12.563 231 HD13 ILE 27 2HD1 ILE 27 9.473 -7.046 10.946 232 H LYS 28 H LYS 28 13.454 -2.656 12.822 233 HA LYS 28 HA LYS 28 16.188 -3.320 13.364 234 HB2 LYS 28 1HB LYS 28 14.691 -0.671 13.426 235 HB3 LYS 28 2HB LYS 28 16.432 -0.789 13.627 236 HG2 LYS 28 1HG LYS 28 14.961 -1.810 11.155 237 HG3 LYS 28 2HG LYS 28 15.660 -0.197 11.308 238 HD2 LYS 28 1HD LYS 28 17.900 -1.199 11.706 239 HD3 LYS 28 2HD LYS 28 17.231 -2.816 11.456 240 HE2 LYS 28 1HE LYS 28 17.092 -0.570 9.395 241 HE3 LYS 28 2HE LYS 28 18.407 -1.744 9.466 242 HZ1 LYS 28 3HZ LYS 28 15.556 -2.467 9.050 243 HZ2 LYS 28 1HZ LYS 28 16.810 -3.516 9.080 244 HZ3 LYS 28 2HZ LYS 28 16.696 -2.418 7.882 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 -16.799 -5.527 -15.513 2 H2 ASN 1 2H ASN 1 -16.593 -5.043 -17.066 3 H3 ASN 1 3H ASN 1 -15.486 -6.017 -16.360 4 HA ASN 1 HA ASN 1 -14.756 -3.699 -16.563 5 HB2 ASN 1 1HB ASN 1 -17.190 -2.886 -16.001 6 HB3 ASN 1 2HB ASN 1 -16.691 -3.049 -14.314 7 HD21 ASN 1 2HD2 ASN 1 -16.753 -0.677 -13.958 8 HD22 ASN 1 1HD2 ASN 1 -15.682 0.372 -14.891 9 H GLU 2 H GLU 2 -12.831 -3.723 -15.597 10 HA GLU 2 HA GLU 2 -12.511 -4.514 -12.756 11 HB2 GLU 2 1HB GLU 2 -12.526 -6.625 -14.158 12 HB3 GLU 2 2HB GLU 2 -11.051 -6.058 -14.942 13 HG2 GLU 2 1HG GLU 2 -9.910 -6.003 -12.734 14 HG3 GLU 2 2HG GLU 2 -11.402 -6.526 -11.945 15 H GLN 3 H GLN 3 -10.589 -3.934 -15.736 16 HA GLN 3 HA GLN 3 -8.302 -2.788 -14.574 17 HB2 GLN 3 1HB GLN 3 -9.621 -2.281 -17.266 18 HB3 GLN 3 2HB GLN 3 -8.004 -1.732 -16.862 19 HG2 GLN 3 1HG GLN 3 -8.820 -4.676 -16.810 20 HG3 GLN 3 2HG GLN 3 -8.170 -3.861 -18.227 21 HE21 GLN 3 2HE2 GLN 3 -6.762 -6.037 -17.447 22 HE22 GLN 3 1HE2 GLN 3 -5.275 -5.508 -16.665 23 H GLU 4 H GLU 4 -11.412 -1.204 -15.236 24 HA GLU 4 HA GLU 4 -10.537 1.507 -14.997 25 HB2 GLU 4 1HB GLU 4 -12.793 0.463 -15.858 26 HB3 GLU 4 2HB GLU 4 -13.283 0.550 -14.159 27 HG2 GLU 4 1HG GLU 4 -12.373 3.066 -14.424 28 HG3 GLU 4 2HG GLU 4 -12.648 2.743 -16.133 29 H LEU 5 H LEU 5 -11.646 -0.835 -12.544 30 HA LEU 5 HA LEU 5 -11.630 1.102 -10.353 31 HB2 LEU 5 1HB LEU 5 -12.998 -1.205 -10.726 32 HB3 LEU 5 2HB LEU 5 -11.593 -1.874 -9.907 33 HG LEU 5 HG LEU 5 -12.048 0.025 -8.115 34 HD11 LEU 5 1HD1 LEU 5 -14.798 -0.205 -9.426 35 HD12 LEU 5 2HD1 LEU 5 -13.755 1.229 -9.504 36 HD13 LEU 5 3HD1 LEU 5 -14.403 0.693 -7.945 37 HD21 LEU 5 3HD2 LEU 5 -12.350 -2.363 -7.652 38 HD22 LEU 5 1HD2 LEU 5 -13.951 -2.333 -8.427 39 HD23 LEU 5 2HD2 LEU 5 -13.658 -1.414 -6.931 40 H LEU 6 H LEU 6 -9.250 -0.784 -11.904 41 HA LEU 6 HA LEU 6 -7.502 -1.484 -9.832 42 HB2 LEU 6 1HB LEU 6 -7.602 -1.999 -12.469 43 HB3 LEU 6 2HB LEU 6 -6.411 -0.705 -12.521 44 HG LEU 6 HG LEU 6 -5.173 -2.111 -10.656 45 HD11 LEU 6 1HD1 LEU 6 -7.065 -3.686 -10.232 46 HD12 LEU 6 2HD1 LEU 6 -5.625 -4.542 -10.807 47 HD13 LEU 6 3HD1 LEU 6 -6.975 -4.236 -11.917 48 HD21 LEU 6 3HD2 LEU 6 -4.313 -1.834 -12.936 49 HD22 LEU 6 1HD2 LEU 6 -5.395 -3.115 -13.520 50 HD23 LEU 6 2HD2 LEU 6 -4.081 -3.504 -12.389 51 H GLU 7 H GLU 7 -7.971 1.645 -11.250 52 HA GLU 7 HA GLU 7 -5.545 2.980 -10.526 53 HB2 GLU 7 1HB GLU 7 -8.388 4.079 -10.617 54 HB3 GLU 7 2HB GLU 7 -6.912 5.039 -10.636 55 HG2 GLU 7 1HG GLU 7 -7.789 3.080 -12.811 56 HG3 GLU 7 2HG GLU 7 -7.952 4.826 -12.867 57 H LEU 8 H LEU 8 -8.527 2.398 -8.677 58 HA LEU 8 HA LEU 8 -7.510 3.673 -6.220 59 HB2 LEU 8 1HB LEU 8 -10.103 2.668 -7.250 60 HB3 LEU 8 2HB LEU 8 -9.799 2.190 -5.589 61 HG LEU 8 HG LEU 8 -9.432 4.514 -4.910 62 HD11 LEU 8 1HD1 LEU 8 -10.108 5.222 -7.802 63 HD12 LEU 8 2HD1 LEU 8 -8.567 5.531 -6.972 64 HD13 LEU 8 3HD1 LEU 8 -10.024 6.378 -6.453 65 HD21 LEU 8 3HD2 LEU 8 -11.747 5.277 -5.146 66 HD22 LEU 8 1HD2 LEU 8 -11.711 3.528 -4.871 67 HD23 LEU 8 2HD2 LEU 8 -12.005 4.161 -6.505 68 H ASP 9 H ASP 9 -7.775 0.397 -7.515 69 HA ASP 9 HA ASP 9 -7.222 -1.130 -5.205 70 HB2 ASP 9 1HB ASP 9 -7.810 -2.078 -7.413 71 HB3 ASP 9 2HB ASP 9 -6.238 -1.586 -8.041 72 H LYS 10 H LYS 10 -4.878 0.425 -7.405 73 HA LYS 10 HA LYS 10 -2.449 -0.276 -6.038 74 HB2 LYS 10 1HB LYS 10 -3.314 1.777 -8.041 75 HB3 LYS 10 2HB LYS 10 -1.913 2.213 -7.083 76 HG2 LYS 10 1HG LYS 10 -1.252 1.186 -9.161 77 HG3 LYS 10 2HG LYS 10 -0.677 0.258 -7.787 78 HD2 LYS 10 1HD LYS 10 -3.274 -0.589 -9.094 79 HD3 LYS 10 2HD LYS 10 -1.760 -0.861 -9.962 80 HE2 LYS 10 1HE LYS 10 -0.821 -2.101 -8.076 81 HE3 LYS 10 2HE LYS 10 -2.296 -1.865 -7.133 82 HZ1 LYS 10 3HZ LYS 10 -3.434 -3.380 -8.364 83 HZ2 LYS 10 1HZ LYS 10 -1.939 -4.020 -8.549 84 HZ3 LYS 10 2HZ LYS 10 -2.570 -3.127 -9.755 85 H TRP 11 H TRP 11 -4.426 2.649 -5.587 86 HA TRP 11 HA TRP 11 -2.839 3.707 -3.449 87 HB2 TRP 11 1HB TRP 11 -5.130 4.526 -4.878 88 HB3 TRP 11 2HB TRP 11 -5.659 4.432 -3.212 89 HD1 TRP 11 HD1 TRP 11 -3.729 6.525 -5.594 90 HE1 TRP 11 HE1 TRP 11 -2.717 8.592 -4.435 91 HE3 TRP 11 HE3 TRP 11 -4.516 5.202 -0.697 92 HZ2 TRP 11 HZ2 TRP 11 -2.293 9.535 -1.757 93 HZ3 TRP 11 HZ3 TRP 11 -3.783 6.708 1.138 94 HH2 TRP 11 HH2 TRP 11 -2.674 8.871 0.625 95 H ALA 12 H ALA 12 -5.694 1.549 -3.335 96 HA ALA 12 HA ALA 12 -5.855 1.344 -0.494 97 HB1 ALA 12 3HB ALA 12 -7.256 -0.589 -0.927 98 HB2 ALA 12 1HB ALA 12 -7.630 0.673 -2.116 99 HB3 ALA 12 2HB ALA 12 -6.642 -0.727 -2.588 100 H SER 13 H SER 13 -3.900 -0.556 -2.839 101 HA SER 13 HA SER 13 -2.750 -2.325 -0.861 102 HB2 SER 13 1HB SER 13 -1.830 -1.514 -3.641 103 HB3 SER 13 2HB SER 13 -1.013 -2.731 -2.641 104 HG SER 13 HG SER 13 -2.594 -3.625 -4.100 105 H LEU 14 H LEU 14 -1.765 0.887 -2.038 106 HA LEU 14 HA LEU 14 0.824 0.960 -0.890 107 HB2 LEU 14 1HB LEU 14 -0.839 2.696 -2.344 108 HB3 LEU 14 2HB LEU 14 -0.552 3.572 -0.852 109 HG LEU 14 HG LEU 14 1.695 2.314 -2.500 110 HD11 LEU 14 1HD1 LEU 14 0.486 3.872 -3.947 111 HD12 LEU 14 2HD1 LEU 14 2.065 4.533 -3.498 112 HD13 LEU 14 3HD1 LEU 14 0.592 5.144 -2.707 113 HD21 LEU 14 3HD2 LEU 14 2.292 2.972 -0.188 114 HD22 LEU 14 1HD2 LEU 14 1.706 4.619 -0.498 115 HD23 LEU 14 2HD2 LEU 14 3.113 3.980 -1.378 116 H TRP 15 H TRP 15 -2.275 1.257 0.730 117 HA TRP 15 HA TRP 15 -1.374 2.403 3.184 118 HB2 TRP 15 1HB TRP 15 -3.753 0.871 2.292 119 HB3 TRP 15 2HB TRP 15 -3.368 0.666 3.979 120 HD1 TRP 15 HD1 TRP 15 -5.610 2.601 2.111 121 HE1 TRP 15 HE1 TRP 15 -6.239 4.820 3.270 122 HE3 TRP 15 HE3 TRP 15 -1.767 2.873 5.464 123 HZ2 TRP 15 HZ2 TRP 15 -5.189 6.495 5.373 124 HZ3 TRP 15 HZ3 TRP 15 -1.581 4.805 7.031 125 HH2 TRP 15 HH2 TRP 15 -3.287 6.611 6.997 126 H ASN 16 H ASN 16 -1.058 -0.938 2.005 127 HA ASN 16 HA ASN 16 -0.157 -2.011 4.571 128 HB2 ASN 16 1HB ASN 16 -0.166 -3.013 1.709 129 HB3 ASN 16 2HB ASN 16 0.878 -3.788 2.888 130 HD21 ASN 16 2HD2 ASN 16 -0.049 -4.878 4.733 131 HD22 ASN 16 1HD2 ASN 16 -1.744 -5.342 4.675 132 H TRP 17 H TRP 17 1.550 -0.775 1.657 133 HA TRP 17 HA TRP 17 4.204 -1.144 2.626 134 HB2 TRP 17 1HB TRP 17 3.781 -0.592 0.306 135 HB3 TRP 17 2HB TRP 17 3.100 0.968 0.755 136 HD1 TRP 17 HD1 TRP 17 6.442 -0.882 0.567 137 HE1 TRP 17 HE1 TRP 17 8.389 0.807 0.701 138 HE3 TRP 17 HE3 TRP 17 3.784 3.391 1.568 139 HZ2 TRP 17 HZ2 TRP 17 8.743 3.616 1.154 140 HZ3 TRP 17 HZ3 TRP 17 4.961 5.559 1.864 141 HH2 TRP 17 HH2 TRP 17 7.434 5.684 1.659 142 H PHE 18 H PHE 18 1.937 1.546 3.242 143 HA PHE 18 HA PHE 18 3.667 3.277 4.635 144 HB2 PHE 18 1HB PHE 18 1.204 3.604 3.978 145 HB3 PHE 18 2HB PHE 18 0.796 2.770 5.472 146 HD1 PHE 18 HD1 PHE 18 1.480 3.796 7.706 147 HD2 PHE 18 HD2 PHE 18 1.967 5.881 3.957 148 HE1 PHE 18 HE1 PHE 18 1.782 5.934 8.929 149 HE2 PHE 18 HE2 PHE 18 2.250 8.018 5.188 150 HZ PHE 18 HZ PHE 18 2.166 8.048 7.674 151 H ASN 19 H ASN 19 2.089 0.309 5.851 152 HA ASN 19 HA ASN 19 3.089 0.658 8.581 153 HB2 ASN 19 1HB ASN 19 1.061 -0.661 8.183 154 HB3 ASN 19 2HB ASN 19 1.944 -1.773 7.135 155 HD21 ASN 19 2HD2 ASN 19 1.883 -0.539 10.541 156 HD22 ASN 19 1HD2 ASN 19 2.533 -2.043 11.184 157 H ILE 20 H ILE 20 4.107 -1.317 5.752 158 HA ILE 20 HA ILE 20 6.319 -2.610 6.948 159 HB ILE 20 HB ILE 20 6.051 -1.758 4.046 160 HG12 ILE 20 1HG1 ILE 20 4.163 -3.126 4.528 161 HG13 ILE 20 2HG1 ILE 20 5.315 -4.110 3.665 162 HG21 ILE 20 1HG2 ILE 20 7.877 -3.827 5.336 163 HG22 ILE 20 2HG2 ILE 20 7.597 -3.669 3.589 164 HG23 ILE 20 3HG2 ILE 20 8.362 -2.354 4.472 165 HD11 ILE 20 3HD1 ILE 20 4.710 -4.219 6.650 166 HD12 ILE 20 1HD1 ILE 20 4.306 -5.423 5.421 167 HD13 ILE 20 2HD1 ILE 20 6.002 -5.158 5.860 168 H THR 21 H THR 21 6.445 0.489 5.103 169 HA THR 21 HA THR 21 9.250 0.872 5.503 170 HB THR 21 HB THR 21 8.065 2.008 3.773 171 HG1 THR 21 HG1 THR 21 9.111 3.949 5.540 172 HG21 THR 21 3HG2 THR 21 6.213 2.917 5.764 173 HG22 THR 21 1HG2 THR 21 6.185 3.122 4.015 174 HG23 THR 21 2HG2 THR 21 6.975 4.336 5.027 175 H ASN 22 H ASN 22 6.541 1.818 7.603 176 HA ASN 22 HA ASN 22 8.245 3.241 9.510 177 HB2 ASN 22 1HB ASN 22 5.351 2.312 9.496 178 HB3 ASN 22 2HB ASN 22 6.113 2.918 10.963 179 HD21 ASN 22 2HD2 ASN 22 4.635 3.895 7.983 180 HD22 ASN 22 1HD2 ASN 22 4.948 5.613 8.223 181 H TRP 23 H TRP 23 6.954 -0.086 9.295 182 HA TRP 23 HA TRP 23 7.898 -0.993 11.835 183 HB2 TRP 23 1HB TRP 23 6.147 -2.089 10.459 184 HB3 TRP 23 2HB TRP 23 7.366 -2.558 9.281 185 HD1 TRP 23 HD1 TRP 23 7.274 -2.922 13.148 186 HE1 TRP 23 HE1 TRP 23 7.657 -5.388 13.773 187 HE3 TRP 23 HE3 TRP 23 7.681 -4.918 8.437 188 HZ2 TRP 23 HZ2 TRP 23 7.994 -7.897 12.422 189 HZ3 TRP 23 HZ3 TRP 23 8.046 -7.363 8.147 190 HH2 TRP 23 HH2 TRP 23 8.190 -8.858 10.122 191 H LEU 24 H LEU 24 9.494 -0.912 8.661 192 HA LEU 24 HA LEU 24 11.704 -2.511 9.150 193 HB2 LEU 24 1HB LEU 24 10.860 -0.878 7.115 194 HB3 LEU 24 2HB LEU 24 12.225 0.046 7.658 195 HG LEU 24 HG LEU 24 12.957 -2.803 7.448 196 HD11 LEU 24 1HD1 LEU 24 11.884 -1.509 4.913 197 HD12 LEU 24 2HD1 LEU 24 11.152 -2.880 5.775 198 HD13 LEU 24 3HD1 LEU 24 12.747 -3.060 5.029 199 HD21 LEU 24 3HD2 LEU 24 13.908 -0.366 5.895 200 HD22 LEU 24 1HD2 LEU 24 14.715 -1.946 5.988 201 HD23 LEU 24 2HD2 LEU 24 14.574 -0.938 7.443 202 H TRP 25 H TRP 25 11.301 0.845 10.131 203 HA TRP 25 HA TRP 25 13.891 1.318 11.264 204 HB2 TRP 25 1HB TRP 25 11.165 2.438 12.018 205 HB3 TRP 25 2HB TRP 25 12.678 3.008 12.693 206 HD1 TRP 25 HD1 TRP 25 10.352 3.928 10.135 207 HE1 TRP 25 HE1 TRP 25 11.391 5.541 8.408 208 HE3 TRP 25 HE3 TRP 25 15.299 3.239 11.258 209 HZ2 TRP 25 HZ2 TRP 25 14.025 6.411 7.630 210 HZ3 TRP 25 HZ3 TRP 25 17.058 4.470 10.006 211 HH2 TRP 25 HH2 TRP 25 16.437 6.054 8.196 212 H TYR 26 H TYR 26 11.072 -0.342 12.624 213 HA TYR 26 HA TYR 26 12.138 -0.570 15.321 214 HB2 TYR 26 1HB TYR 26 9.630 -0.789 14.207 215 HB3 TYR 26 2HB TYR 26 10.043 -2.480 14.414 216 HD1 TYR 26 HD1 TYR 26 10.716 -3.293 16.758 217 HD2 TYR 26 HD2 TYR 26 9.089 0.631 16.023 218 HE1 TYR 26 HE1 TYR 26 10.187 -3.060 19.186 219 HE2 TYR 26 HE2 TYR 26 8.551 0.862 18.455 220 HH TYR 26 HH TYR 26 9.317 -1.716 20.821 221 H ILE 27 H ILE 27 12.137 -2.583 12.423 222 HA ILE 27 HA ILE 27 13.329 -4.957 13.578 223 HB ILE 27 HB ILE 27 13.413 -3.923 10.714 224 HG12 ILE 27 1HG1 ILE 27 11.107 -4.268 11.338 225 HG13 ILE 27 2HG1 ILE 27 11.634 -5.508 10.235 226 HG21 ILE 27 1HG2 ILE 27 15.173 -5.546 10.932 227 HG22 ILE 27 2HG2 ILE 27 14.116 -6.677 11.797 228 HG23 ILE 27 3HG2 ILE 27 13.830 -6.307 10.085 229 HD11 ILE 27 3HD1 ILE 27 12.053 -6.768 12.684 230 HD12 ILE 27 1HD1 ILE 27 10.652 -5.735 13.018 231 HD13 ILE 27 2HD1 ILE 27 10.604 -6.910 11.687 232 H LYS 28 H LYS 28 14.713 -2.195 11.852 233 HA LYS 28 HA LYS 28 17.491 -2.898 12.109 234 HB2 LYS 28 1HB LYS 28 15.991 -0.332 11.480 235 HB3 LYS 28 2HB LYS 28 17.744 -0.320 11.637 236 HG2 LYS 28 1HG LYS 28 16.288 -2.231 9.765 237 HG3 LYS 28 2HG LYS 28 16.829 -0.629 9.266 238 HD2 LYS 28 1HD LYS 28 19.050 -1.211 9.196 239 HD3 LYS 28 2HD LYS 28 18.945 -2.239 10.610 240 HE2 LYS 28 1HE LYS 28 19.430 -3.745 8.917 241 HE3 LYS 28 2HE LYS 28 17.702 -3.952 9.199 242 HZ1 LYS 28 3HZ LYS 28 18.198 -3.834 6.833 243 HZ2 LYS 28 1HZ LYS 28 18.925 -2.385 6.986 244 HZ3 LYS 28 2HZ LYS 28 17.312 -2.521 7.232 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 -8.370 -9.279 -9.422 2 H2 ASN 1 2H ASN 1 -7.675 -8.745 -8.041 3 H3 ASN 1 3H ASN 1 -9.162 -8.217 -8.461 4 HA ASN 1 HA ASN 1 -7.575 -6.490 -8.891 5 HB2 ASN 1 1HB ASN 1 -5.769 -6.871 -10.595 6 HB3 ASN 1 2HB ASN 1 -5.555 -7.716 -9.076 7 HD21 ASN 1 2HD2 ASN 1 -6.474 -8.229 -12.520 8 HD22 ASN 1 1HD2 ASN 1 -6.058 -9.942 -12.496 9 H GLU 2 H GLU 2 -10.013 -6.247 -9.518 10 HA GLU 2 HA GLU 2 -10.663 -6.613 -12.343 11 HB2 GLU 2 1HB GLU 2 -12.046 -5.047 -10.124 12 HB3 GLU 2 2HB GLU 2 -12.678 -5.280 -11.760 13 HG2 GLU 2 1HG GLU 2 -12.567 -7.773 -11.387 14 HG3 GLU 2 2HG GLU 2 -12.156 -7.460 -9.699 15 H GLN 3 H GLN 3 -10.591 -5.158 -13.982 16 HA GLN 3 HA GLN 3 -8.851 -2.927 -13.905 17 HB2 GLN 3 1HB GLN 3 -9.493 -2.538 -16.169 18 HB3 GLN 3 2HB GLN 3 -9.447 -4.279 -15.907 19 HG2 GLN 3 1HG GLN 3 -12.006 -4.154 -15.561 20 HG3 GLN 3 2HG GLN 3 -11.910 -2.492 -16.146 21 HE21 GLN 3 2HE2 GLN 3 -11.263 -2.143 -18.448 22 HE22 GLN 3 1HE2 GLN 3 -11.417 -3.503 -19.556 23 H GLU 4 H GLU 4 -12.306 -3.037 -13.205 24 HA GLU 4 HA GLU 4 -12.813 -0.210 -13.391 25 HB2 GLU 4 1HB GLU 4 -14.455 -2.286 -13.214 26 HB3 GLU 4 2HB GLU 4 -14.269 -2.042 -11.474 27 HG2 GLU 4 1HG GLU 4 -14.825 0.481 -12.056 28 HG3 GLU 4 2HG GLU 4 -15.395 -0.180 -13.585 29 H LEU 5 H LEU 5 -11.706 -2.312 -10.748 30 HA LEU 5 HA LEU 5 -11.668 -0.192 -8.732 31 HB2 LEU 5 1HB LEU 5 -11.606 -3.078 -8.753 32 HB3 LEU 5 2HB LEU 5 -10.126 -2.535 -7.993 33 HG LEU 5 HG LEU 5 -11.478 -1.096 -6.431 34 HD11 LEU 5 1HD1 LEU 5 -13.541 -0.669 -7.500 35 HD12 LEU 5 2HD1 LEU 5 -13.977 -1.876 -6.287 36 HD13 LEU 5 3HD1 LEU 5 -13.764 -2.364 -7.979 37 HD21 LEU 5 3HD2 LEU 5 -10.719 -3.351 -5.789 38 HD22 LEU 5 1HD2 LEU 5 -12.211 -4.053 -6.463 39 HD23 LEU 5 2HD2 LEU 5 -12.282 -2.962 -5.059 40 H LEU 6 H LEU 6 -9.592 -0.872 -11.266 41 HA LEU 6 HA LEU 6 -7.017 -0.661 -10.220 42 HB2 LEU 6 1HB LEU 6 -7.601 -1.236 -12.515 43 HB3 LEU 6 2HB LEU 6 -8.054 0.431 -12.860 44 HG LEU 6 HG LEU 6 -5.280 0.008 -11.774 45 HD11 LEU 6 1HD1 LEU 6 -6.044 -0.819 -14.601 46 HD12 LEU 6 2HD1 LEU 6 -5.455 -1.890 -13.308 47 HD13 LEU 6 3HD1 LEU 6 -4.388 -0.645 -13.971 48 HD21 LEU 6 3HD2 LEU 6 -4.716 1.708 -13.460 49 HD22 LEU 6 1HD2 LEU 6 -6.099 2.265 -12.507 50 HD23 LEU 6 2HD2 LEU 6 -6.354 1.618 -14.140 51 H GLU 7 H GLU 7 -9.329 1.957 -10.710 52 HA GLU 7 HA GLU 7 -7.619 4.197 -10.314 53 HB2 GLU 7 1HB GLU 7 -9.584 5.448 -9.808 54 HB3 GLU 7 2HB GLU 7 -9.955 4.321 -11.115 55 HG2 GLU 7 1HG GLU 7 -11.042 2.795 -9.433 56 HG3 GLU 7 2HG GLU 7 -10.752 4.006 -8.183 57 H LEU 8 H LEU 8 -8.966 1.964 -7.959 58 HA LEU 8 HA LEU 8 -7.863 3.493 -5.671 59 HB2 LEU 8 1HB LEU 8 -10.225 1.971 -6.012 60 HB3 LEU 8 2HB LEU 8 -9.182 0.926 -5.078 61 HG LEU 8 HG LEU 8 -10.560 2.161 -3.583 62 HD11 LEU 8 1HD1 LEU 8 -9.020 3.251 -2.111 63 HD12 LEU 8 2HD1 LEU 8 -7.876 3.568 -3.422 64 HD13 LEU 8 3HD1 LEU 8 -8.166 1.899 -2.879 65 HD21 LEU 8 3HD2 LEU 8 -10.570 4.642 -3.460 66 HD22 LEU 8 1HD2 LEU 8 -11.232 4.017 -4.980 67 HD23 LEU 8 2HD2 LEU 8 -9.597 4.711 -4.942 68 H ASP 9 H ASP 9 -7.305 0.547 -7.532 69 HA ASP 9 HA ASP 9 -5.522 -0.807 -5.835 70 HB2 ASP 9 1HB ASP 9 -6.481 -1.633 -8.002 71 HB3 ASP 9 2HB ASP 9 -5.299 -0.627 -8.852 72 H LYS 10 H LYS 10 -4.785 1.919 -8.011 73 HA LYS 10 HA LYS 10 -1.959 2.038 -7.661 74 HB2 LYS 10 1HB LYS 10 -3.946 4.348 -7.959 75 HB3 LYS 10 2HB LYS 10 -2.201 4.480 -8.143 76 HG2 LYS 10 1HG LYS 10 -4.120 2.984 -9.965 77 HG3 LYS 10 2HG LYS 10 -3.197 4.444 -10.305 78 HD2 LYS 10 1HD LYS 10 -1.089 2.963 -9.851 79 HD3 LYS 10 2HD LYS 10 -2.212 1.593 -10.035 80 HE2 LYS 10 1HE LYS 10 -2.843 2.427 -12.290 81 HE3 LYS 10 2HE LYS 10 -1.794 3.832 -12.073 82 HZ1 LYS 10 3HZ LYS 10 0.108 2.293 -11.931 83 HZ2 LYS 10 1HZ LYS 10 -0.655 2.149 -13.362 84 HZ3 LYS 10 2HZ LYS 10 -0.867 1.012 -12.211 85 H TRP 11 H TRP 11 -4.500 3.471 -5.661 86 HA TRP 11 HA TRP 11 -2.712 4.577 -3.633 87 HB2 TRP 11 1HB TRP 11 -5.703 4.129 -3.802 88 HB3 TRP 11 2HB TRP 11 -4.926 4.704 -2.340 89 HD1 TRP 11 HD1 TRP 11 -5.593 5.817 -5.959 90 HE1 TRP 11 HE1 TRP 11 -5.453 8.387 -6.073 91 HE3 TRP 11 HE3 TRP 11 -3.980 6.766 -1.186 92 HZ2 TRP 11 HZ2 TRP 11 -4.768 10.565 -4.317 93 HZ3 TRP 11 HZ3 TRP 11 -3.614 9.107 -0.425 94 HH2 TRP 11 HH2 TRP 11 -4.003 11.008 -1.976 95 H ALA 12 H ALA 12 -4.485 1.487 -3.959 96 HA ALA 12 HA ALA 12 -4.126 0.523 -1.337 97 HB1 ALA 12 3HB ALA 12 -4.057 -1.132 -3.893 98 HB2 ALA 12 1HB ALA 12 -4.493 -1.683 -2.270 99 HB3 ALA 12 2HB ALA 12 -5.540 -0.525 -3.115 100 H SER 13 H SER 13 -1.829 0.405 -4.053 101 HA SER 13 HA SER 13 0.243 -1.106 -2.807 102 HB2 SER 13 1HB SER 13 0.070 -0.433 -5.244 103 HB3 SER 13 2HB SER 13 0.674 1.169 -4.778 104 HG SER 13 HG SER 13 2.312 -0.399 -5.456 105 H LEU 14 H LEU 14 -0.242 2.442 -2.870 106 HA LEU 14 HA LEU 14 1.933 3.178 -1.146 107 HB2 LEU 14 1HB LEU 14 -0.706 4.468 -1.919 108 HB3 LEU 14 2HB LEU 14 0.339 5.225 -0.734 109 HG LEU 14 HG LEU 14 1.286 4.516 -3.546 110 HD11 LEU 14 1HD1 LEU 14 0.953 6.903 -4.062 111 HD12 LEU 14 2HD1 LEU 14 0.216 7.157 -2.463 112 HD13 LEU 14 3HD1 LEU 14 -0.578 6.113 -3.664 113 HD21 LEU 14 3HD2 LEU 14 2.977 6.352 -2.948 114 HD22 LEU 14 1HD2 LEU 14 3.169 4.828 -2.076 115 HD23 LEU 14 2HD2 LEU 14 2.406 6.219 -1.273 116 H TRP 15 H TRP 15 -1.468 2.393 -0.405 117 HA TRP 15 HA TRP 15 -1.393 2.915 2.373 118 HB2 TRP 15 1HB TRP 15 -3.342 2.222 0.654 119 HB3 TRP 15 2HB TRP 15 -3.108 0.654 1.403 120 HD1 TRP 15 HD1 TRP 15 -3.836 0.465 3.989 121 HE1 TRP 15 HE1 TRP 15 -5.293 1.954 5.513 122 HE3 TRP 15 HE3 TRP 15 -3.904 4.708 1.143 123 HZ2 TRP 15 HZ2 TRP 15 -6.357 4.638 5.483 124 HZ3 TRP 15 HZ3 TRP 15 -5.156 6.729 1.905 125 HH2 TRP 15 HH2 TRP 15 -6.381 6.701 4.067 126 H ASN 16 H ASN 16 -0.771 -0.174 0.667 127 HA ASN 16 HA ASN 16 -0.037 -1.653 3.042 128 HB2 ASN 16 1HB ASN 16 -0.209 -2.153 0.158 129 HB3 ASN 16 2HB ASN 16 1.303 -2.782 0.786 130 HD21 ASN 16 2HD2 ASN 16 -1.827 -3.703 0.204 131 HD22 ASN 16 1HD2 ASN 16 -1.919 -4.965 1.429 132 H TRP 17 H TRP 17 1.928 0.153 0.646 133 HA TRP 17 HA TRP 17 4.483 -0.453 1.646 134 HB2 TRP 17 1HB TRP 17 4.140 0.691 -0.468 135 HB3 TRP 17 2HB TRP 17 3.485 2.101 0.356 136 HD1 TRP 17 HD1 TRP 17 6.803 0.096 0.647 137 HE1 TRP 17 HE1 TRP 17 8.769 1.750 0.779 138 HE3 TRP 17 HE3 TRP 17 4.188 4.506 0.457 139 HZ2 TRP 17 HZ2 TRP 17 9.163 4.587 0.787 140 HZ3 TRP 17 HZ3 TRP 17 5.399 6.678 0.547 141 HH2 TRP 17 HH2 TRP 17 7.877 6.732 0.708 142 H PHE 18 H PHE 18 2.369 2.275 2.701 143 HA PHE 18 HA PHE 18 4.030 3.439 4.628 144 HB2 PHE 18 1HB PHE 18 1.849 4.350 4.028 145 HB3 PHE 18 2HB PHE 18 1.027 2.956 4.717 146 HD1 PHE 18 HD2 PHE 18 3.061 5.968 5.562 147 HD2 PHE 18 HD1 PHE 18 0.587 2.781 7.093 148 HE1 PHE 18 HE2 PHE 18 3.003 7.075 7.786 149 HE2 PHE 18 HE1 PHE 18 0.540 3.887 9.315 150 HZ PHE 18 HZ PHE 18 1.746 6.034 9.665 151 H ASN 19 H ASN 19 2.005 0.536 5.066 152 HA ASN 19 HA ASN 19 2.550 0.151 7.838 153 HB2 ASN 19 1HB ASN 19 0.852 -1.009 6.027 154 HB3 ASN 19 2HB ASN 19 2.084 -2.263 6.116 155 HD21 ASN 19 2HD2 ASN 19 1.154 -3.851 7.466 156 HD22 ASN 19 1HD2 ASN 19 0.389 -3.443 8.999 157 H ILE 20 H ILE 20 4.245 -1.078 4.949 158 HA ILE 20 HA ILE 20 6.297 -2.567 6.330 159 HB ILE 20 HB ILE 20 6.396 -1.279 3.582 160 HG12 ILE 20 1HG1 ILE 20 4.544 -2.831 3.644 161 HG13 ILE 20 2HG1 ILE 20 5.860 -3.494 2.704 162 HG21 ILE 20 1HG2 ILE 20 8.187 -3.384 4.848 163 HG22 ILE 20 2HG2 ILE 20 8.146 -3.002 3.113 164 HG23 ILE 20 3HG2 ILE 20 8.647 -1.771 4.269 165 HD11 ILE 20 3HD1 ILE 20 4.819 -5.233 4.051 166 HD12 ILE 20 1HD1 ILE 20 6.482 -4.985 4.605 167 HD13 ILE 20 2HD1 ILE 20 5.116 -4.327 5.541 168 H THR 21 H THR 21 6.233 0.826 5.101 169 HA THR 21 HA THR 21 8.854 1.533 5.815 170 HB THR 21 HB THR 21 6.577 3.521 6.054 171 HG1 THR 21 HG1 THR 21 7.704 2.467 3.679 172 HG21 THR 21 3HG2 THR 21 8.593 4.608 4.470 173 HG22 THR 21 1HG2 THR 21 9.514 3.654 5.638 174 HG23 THR 21 2HG2 THR 21 8.375 4.892 6.207 175 H ASN 22 H ASN 22 5.911 1.727 7.834 176 HA ASN 22 HA ASN 22 7.323 2.697 10.197 177 HB2 ASN 22 1HB ASN 22 4.534 1.674 9.593 178 HB3 ASN 22 2HB ASN 22 5.085 1.780 11.264 179 HD21 ASN 22 2HD2 ASN 22 4.005 3.553 12.086 180 HD22 ASN 22 1HD2 ASN 22 4.110 5.141 11.337 181 H TRP 23 H TRP 23 6.258 -0.583 9.146 182 HA TRP 23 HA TRP 23 7.060 -1.954 11.497 183 HB2 TRP 23 1HB TRP 23 5.580 -2.824 9.705 184 HB3 TRP 23 2HB TRP 23 6.976 -2.996 8.649 185 HD1 TRP 23 HD1 TRP 23 6.326 -4.123 12.316 186 HE1 TRP 23 HE1 TRP 23 6.801 -6.642 12.516 187 HE3 TRP 23 HE3 TRP 23 7.637 -5.104 7.453 188 HZ2 TRP 23 HZ2 TRP 23 7.577 -8.804 10.793 189 HZ3 TRP 23 HZ3 TRP 23 8.241 -7.417 6.765 190 HH2 TRP 23 HH2 TRP 23 8.209 -9.270 8.419 191 H LEU 24 H LEU 24 9.004 -1.004 8.698 192 HA LEU 24 HA LEU 24 11.362 -2.425 9.099 193 HB2 LEU 24 1HB LEU 24 10.576 0.035 7.742 194 HB3 LEU 24 2HB LEU 24 12.065 0.337 8.584 195 HG LEU 24 HG LEU 24 12.629 -2.113 7.379 196 HD11 LEU 24 1HD1 LEU 24 11.916 -1.905 5.038 197 HD12 LEU 24 2HD1 LEU 24 10.991 -0.437 5.424 198 HD13 LEU 24 3HD1 LEU 24 10.499 -2.006 6.100 199 HD21 LEU 24 3HD2 LEU 24 13.963 -0.785 5.783 200 HD22 LEU 24 1HD2 LEU 24 14.124 -0.190 7.443 201 HD23 LEU 24 2HD2 LEU 24 13.097 0.688 6.284 202 H TRP 25 H TRP 25 10.277 0.391 10.934 203 HA TRP 25 HA TRP 25 12.627 0.837 12.509 204 HB2 TRP 25 1HB TRP 25 10.167 2.074 12.147 205 HB3 TRP 25 2HB TRP 25 10.004 1.442 13.769 206 HD1 TRP 25 HD1 TRP 25 11.485 4.174 11.756 207 HE1 TRP 25 HE1 TRP 25 12.834 5.815 13.216 208 HE3 TRP 25 HE3 TRP 25 11.672 1.455 16.105 209 HZ2 TRP 25 HZ2 TRP 25 13.900 5.908 15.878 210 HZ3 TRP 25 HZ3 TRP 25 12.882 2.346 18.084 211 HH2 TRP 25 HH2 TRP 25 14.002 4.560 17.984 212 H TYR 26 H TYR 26 9.927 -1.394 12.888 213 HA TYR 26 HA TYR 26 10.581 -2.278 15.585 214 HB2 TYR 26 1HB TYR 26 8.337 -2.412 13.977 215 HB3 TYR 26 2HB TYR 26 8.952 -4.044 13.827 216 HD1 TYR 26 HD2 TYR 26 9.186 -5.480 15.897 217 HD2 TYR 26 HD1 TYR 26 7.423 -1.545 16.015 218 HE1 TYR 26 HE2 TYR 26 8.173 -5.990 18.131 219 HE2 TYR 26 HE1 TYR 26 6.417 -2.054 18.233 220 HH TYR 26 HH TYR 26 6.161 -3.603 19.889 221 H ILE 27 H ILE 27 11.248 -3.421 12.302 222 HA ILE 27 HA ILE 27 12.568 -5.892 13.019 223 HB ILE 27 HB ILE 27 12.880 -4.184 10.519 224 HG12 ILE 27 1HG1 ILE 27 10.570 -4.838 10.680 225 HG13 ILE 27 2HG1 ILE 27 11.361 -5.766 9.441 226 HG21 ILE 27 1HG2 ILE 27 13.631 -6.308 9.428 227 HG22 ILE 27 2HG2 ILE 27 14.763 -5.698 10.631 228 HG23 ILE 27 3HG2 ILE 27 13.713 -7.070 11.029 229 HD11 ILE 27 3HD1 ILE 27 10.302 -7.526 10.401 230 HD12 ILE 27 1HD1 ILE 27 11.570 -7.489 11.628 231 HD13 ILE 27 2HD1 ILE 27 10.030 -6.658 11.925 232 H LYS 28 H LYS 28 13.893 -2.701 12.151 233 HA LYS 28 HA LYS 28 16.646 -3.438 12.927 234 HB2 LYS 28 1HB LYS 28 15.519 -0.754 12.037 235 HB3 LYS 28 2HB LYS 28 17.225 -1.166 12.256 236 HG2 LYS 28 1HG LYS 28 16.659 -3.134 10.552 237 HG3 LYS 28 2HG LYS 28 15.339 -2.058 10.082 238 HD2 LYS 28 1HD LYS 28 18.328 -1.455 10.078 239 HD3 LYS 28 2HD LYS 28 17.303 -1.724 8.663 240 HE2 LYS 28 1HE LYS 28 15.997 0.332 9.236 241 HE3 LYS 28 2HE LYS 28 17.060 0.601 10.625 242 HZ1 LYS 28 3HZ LYS 28 17.804 1.908 8.740 243 HZ2 LYS 28 1HZ LYS 28 17.927 0.592 7.782 244 HZ3 LYS 28 2HZ LYS 28 18.934 0.776 9.056 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 -8.924 -6.464 -13.761 2 H2 ASN 1 2H ASN 1 -9.440 -6.434 -12.206 3 H3 ASN 1 3H ASN 1 -9.022 -7.854 -12.908 4 HA ASN 1 HA ASN 1 -10.812 -7.694 -14.480 5 HB2 ASN 1 1HB ASN 1 -11.307 -7.976 -11.556 6 HB3 ASN 1 2HB ASN 1 -12.736 -7.657 -12.539 7 HD21 ASN 1 2HD2 ASN 1 -13.770 -9.587 -13.053 8 HD22 ASN 1 1HD2 ASN 1 -12.895 -11.025 -13.548 9 H GLU 2 H GLU 2 -12.146 -5.434 -12.000 10 HA GLU 2 HA GLU 2 -13.362 -3.880 -14.138 11 HB2 GLU 2 1HB GLU 2 -13.416 -3.819 -11.134 12 HB3 GLU 2 2HB GLU 2 -13.784 -2.325 -12.006 13 HG2 GLU 2 1HG GLU 2 -15.490 -3.512 -13.360 14 HG3 GLU 2 2HG GLU 2 -15.199 -4.977 -12.416 15 H GLN 3 H GLN 3 -12.132 -2.670 -15.417 16 HA GLN 3 HA GLN 3 -9.776 -1.259 -14.739 17 HB2 GLN 3 1HB GLN 3 -10.176 0.044 -16.783 18 HB3 GLN 3 2HB GLN 3 -10.350 -1.691 -17.036 19 HG2 GLN 3 1HG GLN 3 -12.775 -1.523 -17.119 20 HG3 GLN 3 2HG GLN 3 -12.740 0.167 -16.614 21 HE21 GLN 3 2HE2 GLN 3 -11.695 1.773 -18.143 22 HE22 GLN 3 1HE2 GLN 3 -11.810 1.394 -19.857 23 H GLU 4 H GLU 4 -13.123 -0.318 -14.181 24 HA GLU 4 HA GLU 4 -12.591 2.470 -13.513 25 HB2 GLU 4 1HB GLU 4 -14.919 0.591 -12.948 26 HB3 GLU 4 2HB GLU 4 -14.872 2.269 -12.390 27 HG2 GLU 4 1HG GLU 4 -14.541 3.028 -14.750 28 HG3 GLU 4 2HG GLU 4 -14.748 1.361 -15.294 29 H LEU 5 H LEU 5 -12.435 -0.537 -11.666 30 HA LEU 5 HA LEU 5 -12.205 0.903 -9.095 31 HB2 LEU 5 1HB LEU 5 -13.291 -1.552 -9.810 32 HB3 LEU 5 2HB LEU 5 -11.720 -2.027 -9.187 33 HG LEU 5 HG LEU 5 -12.264 -0.788 -7.048 34 HD11 LEU 5 1HD1 LEU 5 -14.990 -0.457 -8.396 35 HD12 LEU 5 2HD1 LEU 5 -13.927 0.848 -7.834 36 HD13 LEU 5 3HD1 LEU 5 -14.690 -0.222 -6.661 37 HD21 LEU 5 3HD2 LEU 5 -12.711 -3.220 -7.295 38 HD22 LEU 5 1HD2 LEU 5 -14.333 -2.856 -7.925 39 HD23 LEU 5 2HD2 LEU 5 -13.910 -2.442 -6.250 40 H LEU 6 H LEU 6 -10.125 -0.167 -11.546 41 HA LEU 6 HA LEU 6 -7.742 -0.831 -10.270 42 HB2 LEU 6 1HB LEU 6 -8.386 -0.795 -12.785 43 HB3 LEU 6 2HB LEU 6 -7.919 0.902 -12.751 44 HG LEU 6 HG LEU 6 -5.624 0.028 -11.805 45 HD11 LEU 6 1HD1 LEU 6 -6.712 -2.515 -13.101 46 HD12 LEU 6 2HD1 LEU 6 -6.381 -2.306 -11.368 47 HD13 LEU 6 3HD1 LEU 6 -5.049 -2.255 -12.533 48 HD21 LEU 6 3HD2 LEU 6 -5.896 1.002 -14.039 49 HD22 LEU 6 1HD2 LEU 6 -6.459 -0.562 -14.671 50 HD23 LEU 6 2HD2 LEU 6 -4.790 -0.380 -14.080 51 H GLU 7 H GLU 7 -9.123 2.380 -10.685 52 HA GLU 7 HA GLU 7 -6.905 4.014 -10.020 53 HB2 GLU 7 1HB GLU 7 -8.481 5.754 -9.585 54 HB3 GLU 7 2HB GLU 7 -9.028 4.804 -10.970 55 HG2 GLU 7 1HG GLU 7 -10.605 3.580 -9.393 56 HG3 GLU 7 2HG GLU 7 -10.104 4.683 -8.118 57 H LEU 8 H LEU 8 -9.065 2.213 -7.886 58 HA LEU 8 HA LEU 8 -7.652 3.213 -5.475 59 HB2 LEU 8 1HB LEU 8 -10.373 2.402 -6.015 60 HB3 LEU 8 2HB LEU 8 -9.701 1.271 -4.863 61 HG LEU 8 HG LEU 8 -10.820 3.042 -3.700 62 HD11 LEU 8 1HD1 LEU 8 -7.855 3.593 -3.331 63 HD12 LEU 8 2HD1 LEU 8 -8.694 2.160 -2.695 64 HD13 LEU 8 3HD1 LEU 8 -9.158 3.783 -2.151 65 HD21 LEU 8 3HD2 LEU 8 -10.742 4.825 -5.344 66 HD22 LEU 8 1HD2 LEU 8 -8.988 5.009 -5.134 67 HD23 LEU 8 2HD2 LEU 8 -10.091 5.404 -3.801 68 H ASP 9 H ASP 9 -7.809 0.388 -7.523 69 HA ASP 9 HA ASP 9 -6.617 -1.512 -5.759 70 HB2 ASP 9 1HB ASP 9 -7.665 -1.952 -8.026 71 HB3 ASP 9 2HB ASP 9 -6.188 -1.311 -8.757 72 H LYS 10 H LYS 10 -5.157 1.061 -7.694 73 HA LYS 10 HA LYS 10 -2.377 0.459 -7.372 74 HB2 LYS 10 1HB LYS 10 -3.944 3.048 -7.646 75 HB3 LYS 10 2HB LYS 10 -2.177 3.025 -7.631 76 HG2 LYS 10 1HG LYS 10 -1.988 1.885 -9.655 77 HG3 LYS 10 2HG LYS 10 -3.608 1.185 -9.563 78 HD2 LYS 10 1HD LYS 10 -4.635 3.368 -9.928 79 HD3 LYS 10 2HD LYS 10 -3.048 4.144 -10.052 80 HE2 LYS 10 1HE LYS 10 -3.973 1.855 -11.856 81 HE3 LYS 10 2HE LYS 10 -4.253 3.553 -12.248 82 HZ1 LYS 10 3HZ LYS 10 -1.566 2.340 -11.868 83 HZ2 LYS 10 1HZ LYS 10 -1.849 3.910 -12.226 84 HZ3 LYS 10 2HZ LYS 10 -2.229 2.747 -13.301 85 H TRP 11 H TRP 11 -4.587 2.144 -5.204 86 HA TRP 11 HA TRP 11 -2.647 2.909 -3.212 87 HB2 TRP 11 1HB TRP 11 -5.567 2.960 -3.478 88 HB3 TRP 11 2HB TRP 11 -5.063 2.561 -1.851 89 HD1 TRP 11 HD1 TRP 11 -4.634 4.521 -0.342 90 HE1 TRP 11 HE1 TRP 11 -4.163 7.041 -0.605 91 HE3 TRP 11 HE3 TRP 11 -4.256 4.762 -5.454 92 HZ2 TRP 11 HZ2 TRP 11 -3.666 8.901 -2.738 93 HZ3 TRP 11 HZ3 TRP 11 -3.768 6.928 -6.571 94 HH2 TRP 11 HH2 TRP 11 -3.473 8.998 -5.230 95 H ALA 12 H ALA 12 -4.192 -0.234 -3.784 96 HA ALA 12 HA ALA 12 -3.671 -1.361 -1.202 97 HB1 ALA 12 3HB ALA 12 -3.739 -2.820 -3.874 98 HB2 ALA 12 1HB ALA 12 -4.037 -3.495 -2.265 99 HB3 ALA 12 2HB ALA 12 -5.184 -2.330 -2.956 100 H SER 13 H SER 13 -1.609 -1.033 -4.071 101 HA SER 13 HA SER 13 0.657 -2.570 -3.142 102 HB2 SER 13 1HB SER 13 0.444 -2.036 -5.470 103 HB3 SER 13 2HB SER 13 0.390 -0.298 -5.152 104 HG SER 13 HG SER 13 2.510 -0.249 -4.874 105 H LEU 14 H LEU 14 -0.066 0.922 -3.022 106 HA LEU 14 HA LEU 14 2.173 1.754 -1.444 107 HB2 LEU 14 1HB LEU 14 -0.577 2.860 -2.045 108 HB3 LEU 14 2HB LEU 14 0.410 3.651 -0.830 109 HG LEU 14 HG LEU 14 1.686 3.043 -3.502 110 HD11 LEU 14 1HD1 LEU 14 -0.191 5.382 -2.977 111 HD12 LEU 14 2HD1 LEU 14 -0.426 4.066 -4.151 112 HD13 LEU 14 3HD1 LEU 14 0.900 5.218 -4.375 113 HD21 LEU 14 3HD2 LEU 14 2.942 5.078 -2.990 114 HD22 LEU 14 1HD2 LEU 14 3.001 3.996 -1.588 115 HD23 LEU 14 2HD2 LEU 14 1.914 5.402 -1.576 116 H TRP 15 H TRP 15 -1.057 0.606 -0.413 117 HA TRP 15 HA TRP 15 -0.836 1.050 2.347 118 HB2 TRP 15 1HB TRP 15 -2.813 0.185 0.919 119 HB3 TRP 15 2HB TRP 15 -2.161 -1.422 1.194 120 HD1 TRP 15 HD1 TRP 15 -2.321 -2.352 3.728 121 HE1 TRP 15 HE1 TRP 15 -3.812 -1.679 5.724 122 HE3 TRP 15 HE3 TRP 15 -3.919 2.203 2.043 123 HZ2 TRP 15 HZ2 TRP 15 -5.476 0.552 6.483 124 HZ3 TRP 15 HZ3 TRP 15 -5.469 3.590 3.419 125 HH2 TRP 15 HH2 TRP 15 -6.246 2.776 5.634 126 H ASN 16 H ASN 16 0.285 -1.806 0.514 127 HA ASN 16 HA ASN 16 1.277 -3.272 2.769 128 HB2 ASN 16 1HB ASN 16 0.798 -4.169 0.437 129 HB3 ASN 16 2HB ASN 16 2.293 -3.404 -0.106 130 HD21 ASN 16 2HD2 ASN 16 0.954 -5.841 2.168 131 HD22 ASN 16 1HD2 ASN 16 2.462 -6.738 2.283 132 H TRP 17 H TRP 17 3.028 -1.119 0.467 133 HA TRP 17 HA TRP 17 5.553 -1.240 1.798 134 HB2 TRP 17 1HB TRP 17 5.193 -0.402 -0.509 135 HB3 TRP 17 2HB TRP 17 4.416 1.037 0.143 136 HD1 TRP 17 HD1 TRP 17 7.824 -0.783 0.357 137 HE1 TRP 17 HE1 TRP 17 9.713 0.956 0.586 138 HE3 TRP 17 HE3 TRP 17 4.991 3.484 0.654 139 HZ2 TRP 17 HZ2 TRP 17 9.964 3.807 0.814 140 HZ3 TRP 17 HZ3 TRP 17 6.093 5.704 0.884 141 HH2 TRP 17 HH2 TRP 17 8.570 5.878 0.958 142 H PHE 18 H PHE 18 2.828 1.025 2.302 143 HA PHE 18 HA PHE 18 4.005 2.744 4.196 144 HB2 PHE 18 1HB PHE 18 1.801 3.051 3.070 145 HB3 PHE 18 2HB PHE 18 1.120 1.786 4.084 146 HD1 PHE 18 HD1 PHE 18 2.741 5.151 4.141 147 HD2 PHE 18 HD2 PHE 18 0.319 2.307 6.302 148 HE1 PHE 18 HE1 PHE 18 2.242 6.877 5.857 149 HE2 PHE 18 HE2 PHE 18 -0.175 4.037 8.016 150 HZ PHE 18 HZ PHE 18 0.784 6.322 7.795 151 H ASN 19 H ASN 19 2.406 -0.419 4.751 152 HA ASN 19 HA ASN 19 2.708 -0.366 7.607 153 HB2 ASN 19 1HB ASN 19 1.179 -1.878 6.245 154 HB3 ASN 19 2HB ASN 19 2.605 -2.842 5.835 155 HD21 ASN 19 2HD2 ASN 19 1.925 -4.746 6.980 156 HD22 ASN 19 1HD2 ASN 19 1.748 -4.718 8.732 157 H ILE 20 H ILE 20 4.849 -1.658 5.029 158 HA ILE 20 HA ILE 20 6.910 -2.623 6.785 159 HB ILE 20 HB ILE 20 7.138 -1.710 3.902 160 HG12 ILE 20 1HG1 ILE 20 5.598 -3.547 3.996 161 HG13 ILE 20 2HG1 ILE 20 7.122 -4.133 3.377 162 HG21 ILE 20 1HG2 ILE 20 9.095 -3.262 5.643 163 HG22 ILE 20 2HG2 ILE 20 9.191 -3.163 3.871 164 HG23 ILE 20 3HG2 ILE 20 9.355 -1.701 4.838 165 HD11 ILE 20 3HD1 ILE 20 6.184 -5.777 4.878 166 HD12 ILE 20 1HD1 ILE 20 7.627 -5.104 5.655 167 HD13 ILE 20 2HD1 ILE 20 6.002 -4.591 6.176 168 H THR 21 H THR 21 6.629 0.632 5.184 169 HA THR 21 HA THR 21 9.074 1.621 6.303 170 HB THR 21 HB THR 21 8.105 3.912 5.981 171 HG1 THR 21 HG1 THR 21 5.903 3.481 6.159 172 HG21 THR 21 3HG2 THR 21 9.396 2.794 4.211 173 HG22 THR 21 1HG2 THR 21 8.099 3.805 3.550 174 HG23 THR 21 2HG2 THR 21 7.906 2.041 3.592 175 H ASN 22 H ASN 22 5.770 1.620 7.680 176 HA ASN 22 HA ASN 22 6.616 3.078 10.051 177 HB2 ASN 22 1HB ASN 22 4.112 2.183 8.969 178 HB3 ASN 22 2HB ASN 22 4.272 1.448 10.555 179 HD21 ASN 22 2HD2 ASN 22 4.461 4.592 8.827 180 HD22 ASN 22 1HD2 ASN 22 4.016 5.534 10.245 181 H TRP 23 H TRP 23 6.364 -0.396 9.260 182 HA TRP 23 HA TRP 23 7.005 -1.383 11.847 183 HB2 TRP 23 1HB TRP 23 5.990 -2.705 10.031 184 HB3 TRP 23 2HB TRP 23 7.506 -2.651 9.140 185 HD1 TRP 23 HD1 TRP 23 6.536 -3.705 12.759 186 HE1 TRP 23 HE1 TRP 23 7.557 -5.999 13.270 187 HE3 TRP 23 HE3 TRP 23 8.928 -4.547 8.300 188 HZ2 TRP 23 HZ2 TRP 23 9.099 -7.992 11.902 189 HZ3 TRP 23 HZ3 TRP 23 10.162 -6.677 7.934 190 HH2 TRP 23 HH2 TRP 23 10.248 -8.405 9.718 191 H LEU 24 H LEU 24 9.131 -0.416 9.171 192 HA LEU 24 HA LEU 24 11.583 -1.370 10.031 193 HB2 LEU 24 1HB LEU 24 10.652 0.587 8.127 194 HB3 LEU 24 2HB LEU 24 11.960 1.319 9.028 195 HG LEU 24 HG LEU 24 13.336 -0.803 8.559 196 HD11 LEU 24 1HD1 LEU 24 11.447 -2.271 7.854 197 HD12 LEU 24 2HD1 LEU 24 12.665 -2.114 6.577 198 HD13 LEU 24 3HD1 LEU 24 11.144 -1.202 6.471 199 HD21 LEU 24 3HD2 LEU 24 12.459 0.922 6.204 200 HD22 LEU 24 1HD2 LEU 24 13.946 -0.051 6.294 201 HD23 LEU 24 2HD2 LEU 24 13.725 1.322 7.388 202 H TRP 25 H TRP 25 9.907 1.410 11.401 203 HA TRP 25 HA TRP 25 12.006 2.514 12.980 204 HB2 TRP 25 1HB TRP 25 9.001 2.378 13.409 205 HB3 TRP 25 2HB TRP 25 10.078 3.219 14.505 206 HD1 TRP 25 HD1 TRP 25 7.986 3.934 11.655 207 HE1 TRP 25 HE1 TRP 25 8.553 6.228 10.609 208 HE3 TRP 25 HE3 TRP 25 12.522 4.740 13.883 209 HZ2 TRP 25 HZ2 TRP 25 10.678 8.168 10.768 210 HZ3 TRP 25 HZ3 TRP 25 13.792 6.830 13.437 211 HH2 TRP 25 HH2 TRP 25 12.883 8.547 11.889 212 H TYR 26 H TYR 26 9.898 -0.293 13.717 213 HA TYR 26 HA TYR 26 10.955 -0.595 16.426 214 HB2 TYR 26 1HB TYR 26 9.548 -2.715 14.792 215 HB3 TYR 26 2HB TYR 26 9.670 -2.593 16.541 216 HD1 TYR 26 HD2 TYR 26 8.633 -0.307 17.584 217 HD2 TYR 26 HD1 TYR 26 7.608 -2.026 13.783 218 HE1 TYR 26 HE2 TYR 26 6.510 0.999 17.570 219 HE2 TYR 26 HE1 TYR 26 5.477 -0.698 13.747 220 HH TYR 26 HH TYR 26 4.599 1.517 16.417 221 H ILE 27 H ILE 27 11.815 -1.795 13.243 222 HA ILE 27 HA ILE 27 13.694 -3.837 14.101 223 HB ILE 27 HB ILE 27 13.633 -2.378 11.433 224 HG12 ILE 27 1HG1 ILE 27 11.422 -3.201 11.606 225 HG13 ILE 27 2HG1 ILE 27 12.306 -4.295 10.582 226 HG21 ILE 27 1HG2 ILE 27 14.717 -5.118 12.204 227 HG22 ILE 27 2HG2 ILE 27 14.621 -4.471 10.554 228 HG23 ILE 27 3HG2 ILE 27 15.663 -3.690 11.741 229 HD11 ILE 27 3HD1 ILE 27 11.061 -4.757 13.259 230 HD12 ILE 27 1HD1 ILE 27 11.205 -5.836 11.865 231 HD13 ILE 27 2HD1 ILE 27 12.583 -5.634 12.949 232 H LYS 28 H LYS 28 14.069 -0.502 12.962 233 HA LYS 28 HA LYS 28 16.898 -0.399 13.939 234 HB2 LYS 28 1HB LYS 28 15.819 -0.109 11.290 235 HB3 LYS 28 2HB LYS 28 16.384 1.470 11.760 236 HG2 LYS 28 1HG LYS 28 18.295 -0.755 12.360 237 HG3 LYS 28 2HG LYS 28 17.914 -0.530 10.655 238 HD2 LYS 28 1HD LYS 28 18.568 1.848 10.774 239 HD3 LYS 28 2HD LYS 28 18.894 1.682 12.504 240 HE2 LYS 28 1HE LYS 28 21.007 1.152 11.989 241 HE3 LYS 28 2HE LYS 28 20.395 -0.399 11.415 242 HZ1 LYS 28 3HZ LYS 28 20.203 0.596 9.182 243 HZ2 LYS 28 1HZ LYS 28 21.738 0.710 9.726 244 HZ3 LYS 28 2HZ LYS 28 20.778 2.026 9.733 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 -11.912 -8.028 -9.997 2 H2 ASN 1 2H ASN 1 -10.602 -7.571 -10.867 3 H3 ASN 1 3H ASN 1 -11.774 -6.482 -10.520 4 HA ASN 1 HA ASN 1 -12.026 -8.843 -12.261 5 HB2 ASN 1 1HB ASN 1 -14.166 -6.922 -11.297 6 HB3 ASN 1 2HB ASN 1 -14.300 -7.730 -12.861 7 HD21 ASN 1 2HD2 ASN 1 -15.738 -9.469 -12.630 8 HD22 ASN 1 1HD2 ASN 1 -15.633 -10.599 -11.293 9 H GLU 2 H GLU 2 -12.954 -5.379 -12.688 10 HA GLU 2 HA GLU 2 -11.601 -5.425 -15.330 11 HB2 GLU 2 1HB GLU 2 -13.705 -3.732 -13.968 12 HB3 GLU 2 2HB GLU 2 -12.810 -3.070 -15.340 13 HG2 GLU 2 1HG GLU 2 -13.499 -4.848 -16.799 14 HG3 GLU 2 2HG GLU 2 -14.212 -5.760 -15.464 15 H GLN 3 H GLN 3 -10.367 -3.627 -16.072 16 HA GLN 3 HA GLN 3 -8.198 -2.805 -14.449 17 HB2 GLN 3 1HB GLN 3 -7.573 -1.409 -16.328 18 HB3 GLN 3 2HB GLN 3 -8.156 -2.975 -16.894 19 HG2 GLN 3 1HG GLN 3 -10.403 -1.886 -17.379 20 HG3 GLN 3 2HG GLN 3 -9.686 -0.333 -16.939 21 HE21 GLN 3 2HE2 GLN 3 -10.603 -0.013 -19.292 22 HE22 GLN 3 1HE2 GLN 3 -9.424 -0.328 -20.561 23 H GLU 4 H GLU 4 -11.350 -1.349 -14.794 24 HA GLU 4 HA GLU 4 -10.765 1.278 -13.802 25 HB2 GLU 4 1HB GLU 4 -12.965 -0.004 -14.856 26 HB3 GLU 4 2HB GLU 4 -13.440 0.128 -13.170 27 HG2 GLU 4 1HG GLU 4 -12.510 2.407 -14.981 28 HG3 GLU 4 2HG GLU 4 -14.187 2.009 -14.642 29 H LEU 5 H LEU 5 -11.389 -1.806 -12.123 30 HA LEU 5 HA LEU 5 -11.610 -0.614 -9.469 31 HB2 LEU 5 1HB LEU 5 -11.505 -3.371 -10.622 32 HB3 LEU 5 2HB LEU 5 -10.756 -3.219 -9.053 33 HG LEU 5 HG LEU 5 -13.050 -3.948 -8.872 34 HD11 LEU 5 1HD1 LEU 5 -13.797 -2.487 -7.130 35 HD12 LEU 5 2HD1 LEU 5 -12.849 -1.126 -7.754 36 HD13 LEU 5 3HD1 LEU 5 -12.027 -2.545 -7.068 37 HD21 LEU 5 3HD2 LEU 5 -14.007 -2.836 -10.855 38 HD22 LEU 5 1HD2 LEU 5 -13.884 -1.263 -10.036 39 HD23 LEU 5 2HD2 LEU 5 -14.955 -2.524 -9.389 40 H LEU 6 H LEU 6 -8.949 -1.866 -11.422 41 HA LEU 6 HA LEU 6 -6.921 -1.897 -9.457 42 HB2 LEU 6 1HB LEU 6 -7.081 -2.165 -12.346 43 HB3 LEU 6 2HB LEU 6 -5.805 -1.023 -11.977 44 HG LEU 6 HG LEU 6 -4.930 -2.780 -10.280 45 HD11 LEU 6 1HD1 LEU 6 -6.701 -4.571 -12.011 46 HD12 LEU 6 2HD1 LEU 6 -6.989 -4.207 -10.295 47 HD13 LEU 6 3HD1 LEU 6 -5.541 -5.109 -10.777 48 HD21 LEU 6 3HD2 LEU 6 -3.769 -4.033 -12.090 49 HD22 LEU 6 1HD2 LEU 6 -3.786 -2.282 -12.381 50 HD23 LEU 6 2HD2 LEU 6 -4.897 -3.340 -13.275 51 H GLU 7 H GLU 7 -8.213 0.852 -11.231 52 HA GLU 7 HA GLU 7 -6.263 2.842 -10.678 53 HB2 GLU 7 1HB GLU 7 -9.288 3.099 -10.841 54 HB3 GLU 7 2HB GLU 7 -8.181 4.446 -10.882 55 HG2 GLU 7 1HG GLU 7 -7.506 2.402 -12.926 56 HG3 GLU 7 2HG GLU 7 -9.157 2.982 -13.071 57 H LEU 8 H LEU 8 -8.866 1.597 -8.620 58 HA LEU 8 HA LEU 8 -8.187 3.432 -6.378 59 HB2 LEU 8 1HB LEU 8 -10.267 1.216 -6.559 60 HB3 LEU 8 2HB LEU 8 -10.066 2.353 -5.239 61 HG LEU 8 HG LEU 8 -10.334 3.953 -7.614 62 HD11 LEU 8 1HD1 LEU 8 -12.492 1.813 -7.399 63 HD12 LEU 8 2HD1 LEU 8 -11.309 1.969 -8.716 64 HD13 LEU 8 3HD1 LEU 8 -12.521 3.235 -8.466 65 HD21 LEU 8 3HD2 LEU 8 -12.370 4.758 -6.547 66 HD22 LEU 8 1HD2 LEU 8 -11.066 4.599 -5.360 67 HD23 LEU 8 2HD2 LEU 8 -12.360 3.379 -5.422 68 H ASP 9 H ASP 9 -7.981 -0.019 -7.247 69 HA ASP 9 HA ASP 9 -7.074 -1.043 -4.790 70 HB2 ASP 9 1HB ASP 9 -7.769 -2.213 -7.067 71 HB3 ASP 9 2HB ASP 9 -6.047 -2.139 -7.410 72 H LYS 10 H LYS 10 -5.204 0.520 -7.340 73 HA LYS 10 HA LYS 10 -2.539 0.078 -6.372 74 HB2 LYS 10 1HB LYS 10 -3.926 1.859 -8.306 75 HB3 LYS 10 2HB LYS 10 -2.600 2.666 -7.509 76 HG2 LYS 10 1HG LYS 10 -1.882 1.635 -9.600 77 HG3 LYS 10 2HG LYS 10 -1.012 1.000 -8.202 78 HD2 LYS 10 1HD LYS 10 -2.397 -1.059 -8.262 79 HD3 LYS 10 2HD LYS 10 -3.277 -0.441 -9.674 80 HE2 LYS 10 1HE LYS 10 -1.381 -0.581 -11.078 81 HE3 LYS 10 2HE LYS 10 -0.261 -0.484 -9.719 82 HZ1 LYS 10 3HZ LYS 10 -1.772 -2.864 -10.593 83 HZ2 LYS 10 1HZ LYS 10 -1.145 -2.770 -9.083 84 HZ3 LYS 10 2HZ LYS 10 -0.164 -2.698 -10.379 85 H TRP 11 H TRP 11 -4.798 2.680 -5.609 86 HA TRP 11 HA TRP 11 -3.078 4.084 -3.790 87 HB2 TRP 11 1HB TRP 11 -5.367 4.748 -4.940 88 HB3 TRP 11 2HB TRP 11 -6.065 4.141 -3.446 89 HD1 TRP 11 HD1 TRP 11 -5.586 5.579 -1.246 90 HE1 TRP 11 HE1 TRP 11 -4.712 7.989 -0.850 91 HE3 TRP 11 HE3 TRP 11 -3.772 6.588 -5.928 92 HZ2 TRP 11 HZ2 TRP 11 -3.410 10.047 -2.356 93 HZ3 TRP 11 HZ3 TRP 11 -2.733 8.793 -6.426 94 HH2 TRP 11 HH2 TRP 11 -2.543 10.523 -4.654 95 H ALA 12 H ALA 12 -5.248 1.317 -3.262 96 HA ALA 12 HA ALA 12 -5.111 1.276 -0.403 97 HB1 ALA 12 3HB ALA 12 -6.728 -0.010 -1.864 98 HB2 ALA 12 1HB ALA 12 -5.405 -1.139 -2.234 99 HB3 ALA 12 2HB ALA 12 -5.970 -0.956 -0.569 100 H SER 13 H SER 13 -2.960 -0.231 -2.865 101 HA SER 13 HA SER 13 -1.159 -1.492 -1.036 102 HB2 SER 13 1HB SER 13 -0.617 -0.408 -3.827 103 HB3 SER 13 2HB SER 13 0.460 -1.469 -2.902 104 HG SER 13 HG SER 13 -0.864 -2.676 -4.319 105 H LEU 14 H LEU 14 -1.164 1.825 -2.356 106 HA LEU 14 HA LEU 14 1.315 2.707 -1.210 107 HB2 LEU 14 1HB LEU 14 -1.179 4.026 -2.262 108 HB3 LEU 14 2HB LEU 14 -0.078 5.014 -1.319 109 HG LEU 14 HG LEU 14 1.095 3.295 -3.506 110 HD11 LEU 14 1HD1 LEU 14 -0.779 4.332 -4.650 111 HD12 LEU 14 2HD1 LEU 14 0.731 5.113 -5.148 112 HD13 LEU 14 3HD1 LEU 14 -0.352 5.929 -3.992 113 HD21 LEU 14 3HD2 LEU 14 2.773 4.975 -3.568 114 HD22 LEU 14 1HD2 LEU 14 2.419 4.774 -1.843 115 HD23 LEU 14 2HD2 LEU 14 1.752 6.160 -2.726 116 H TRP 15 H TRP 15 -1.981 2.694 0.178 117 HA TRP 15 HA TRP 15 -1.249 3.892 2.698 118 HB2 TRP 15 1HB TRP 15 -3.562 2.229 1.711 119 HB3 TRP 15 2HB TRP 15 -3.327 2.399 3.440 120 HD1 TRP 15 HD1 TRP 15 -4.479 4.340 0.433 121 HE1 TRP 15 HE1 TRP 15 -5.452 6.617 1.193 122 HE3 TRP 15 HE3 TRP 15 -3.005 4.264 5.330 123 HZ2 TRP 15 HZ2 TRP 15 -5.502 8.211 3.583 124 HZ3 TRP 15 HZ3 TRP 15 -3.525 6.179 6.834 125 HH2 TRP 15 HH2 TRP 15 -4.765 8.152 5.973 126 H ASN 16 H ASN 16 -1.361 0.460 1.675 127 HA ASN 16 HA ASN 16 -0.553 -0.534 4.246 128 HB2 ASN 16 1HB ASN 16 -1.673 -1.699 2.087 129 HB3 ASN 16 2HB ASN 16 0.005 -2.133 1.756 130 HD21 ASN 16 2HD2 ASN 16 0.149 -4.328 2.406 131 HD22 ASN 16 1HD2 ASN 16 -0.495 -4.887 3.945 132 H TRP 17 H TRP 17 1.369 0.433 1.410 133 HA TRP 17 HA TRP 17 3.925 -0.472 2.201 134 HB2 TRP 17 1HB TRP 17 3.573 0.494 0.019 135 HB3 TRP 17 2HB TRP 17 3.098 2.037 0.713 136 HD1 TRP 17 HD1 TRP 17 6.257 -0.196 0.553 137 HE1 TRP 17 HE1 TRP 17 8.344 1.300 0.529 138 HE3 TRP 17 HE3 TRP 17 4.004 4.372 1.168 139 HZ2 TRP 17 HZ2 TRP 17 8.969 4.087 0.799 140 HZ3 TRP 17 HZ3 TRP 17 5.392 6.435 1.324 141 HH2 TRP 17 HH2 TRP 17 7.865 6.305 1.139 142 H PHE 18 H PHE 18 2.275 2.552 3.182 143 HA PHE 18 HA PHE 18 4.349 3.718 4.664 144 HB2 PHE 18 1HB PHE 18 1.711 4.325 4.125 145 HB3 PHE 18 2HB PHE 18 1.621 3.980 5.838 146 HD1 PHE 18 HD2 PHE 18 3.273 6.055 3.233 147 HD2 PHE 18 HD1 PHE 18 2.527 5.587 7.456 148 HE1 PHE 18 HE2 PHE 18 4.130 8.351 3.638 149 HE2 PHE 18 HE1 PHE 18 3.382 7.886 7.857 150 HZ PHE 18 HZ PHE 18 4.180 9.272 5.950 151 H ASN 19 H ASN 19 2.073 1.206 5.720 152 HA ASN 19 HA ASN 19 2.933 1.078 8.464 153 HB2 ASN 19 1HB ASN 19 0.775 0.147 7.469 154 HB3 ASN 19 2HB ASN 19 1.733 -1.177 6.798 155 HD21 ASN 19 2HD2 ASN 19 1.215 -2.974 8.071 156 HD22 ASN 19 1HD2 ASN 19 1.209 -2.911 9.830 157 H ILE 20 H ILE 20 4.005 -0.659 5.524 158 HA ILE 20 HA ILE 20 5.983 -2.322 6.800 159 HB ILE 20 HB ILE 20 5.873 -1.357 3.925 160 HG12 ILE 20 1HG1 ILE 20 3.858 -2.590 4.407 161 HG13 ILE 20 2HG1 ILE 20 4.925 -3.566 3.424 162 HG21 ILE 20 1HG2 ILE 20 7.268 -3.416 3.490 163 HG22 ILE 20 2HG2 ILE 20 8.094 -2.104 4.321 164 HG23 ILE 20 3HG2 ILE 20 7.547 -3.521 5.241 165 HD11 ILE 20 3HD1 ILE 20 4.431 -3.906 6.415 166 HD12 ILE 20 1HD1 ILE 20 3.869 -4.955 5.107 167 HD13 ILE 20 2HD1 ILE 20 5.600 -4.861 5.469 168 H THR 21 H THR 21 6.269 0.947 5.285 169 HA THR 21 HA THR 21 9.050 1.228 5.621 170 HB THR 21 HB THR 21 7.301 3.640 6.078 171 HG1 THR 21 HG1 THR 21 7.580 2.296 3.604 172 HG21 THR 21 3HG2 THR 21 9.180 3.938 3.917 173 HG22 THR 21 1HG2 THR 21 10.039 3.172 5.259 174 HG23 THR 21 2HG2 THR 21 9.193 4.707 5.514 175 H ASN 22 H ASN 22 6.452 2.017 7.947 176 HA ASN 22 HA ASN 22 8.326 2.788 10.059 177 HB2 ASN 22 1HB ASN 22 5.342 2.540 9.765 178 HB3 ASN 22 2HB ASN 22 5.996 2.365 11.390 179 HD21 ASN 22 2HD2 ASN 22 7.572 4.102 12.139 180 HD22 ASN 22 1HD2 ASN 22 7.201 5.733 11.594 181 H TRP 23 H TRP 23 6.750 -0.283 9.172 182 HA TRP 23 HA TRP 23 7.426 -1.662 11.587 183 HB2 TRP 23 1HB TRP 23 5.701 -2.410 10.017 184 HB3 TRP 23 2HB TRP 23 6.932 -2.745 8.803 185 HD1 TRP 23 HD1 TRP 23 6.319 -3.830 12.483 186 HE1 TRP 23 HE1 TRP 23 6.709 -6.366 12.679 187 HE3 TRP 23 HE3 TRP 23 7.554 -4.845 7.614 188 HZ2 TRP 23 HZ2 TRP 23 7.354 -8.557 10.937 189 HZ3 TRP 23 HZ3 TRP 23 8.027 -7.183 6.907 190 HH2 TRP 23 HH2 TRP 23 7.927 -9.041 8.551 191 H LEU 24 H LEU 24 9.208 -1.387 8.488 192 HA LEU 24 HA LEU 24 11.385 -3.072 9.034 193 HB2 LEU 24 1HB LEU 24 10.878 -0.781 7.217 194 HB3 LEU 24 2HB LEU 24 12.547 -0.898 7.728 195 HG LEU 24 HG LEU 24 12.460 -3.396 7.066 196 HD11 LEU 24 1HD1 LEU 24 10.047 -2.339 5.538 197 HD12 LEU 24 2HD1 LEU 24 10.013 -3.601 6.788 198 HD13 LEU 24 3HD1 LEU 24 10.841 -3.900 5.248 199 HD21 LEU 24 3HD2 LEU 24 13.725 -1.711 5.831 200 HD22 LEU 24 1HD2 LEU 24 12.259 -1.208 4.957 201 HD23 LEU 24 2HD2 LEU 24 12.943 -2.832 4.709 202 H TRP 25 H TRP 25 10.871 0.194 10.315 203 HA TRP 25 HA TRP 25 13.464 0.587 11.435 204 HB2 TRP 25 1HB TRP 25 10.727 1.692 12.025 205 HB3 TRP 25 2HB TRP 25 11.995 1.940 13.198 206 HD1 TRP 25 HD1 TRP 25 10.512 3.791 10.580 207 HE1 TRP 25 HE1 TRP 25 12.088 5.599 9.636 208 HE3 TRP 25 HE3 TRP 25 14.968 2.029 12.404 209 HZ2 TRP 25 HZ2 TRP 25 14.907 6.190 9.661 210 HZ3 TRP 25 HZ3 TRP 25 17.087 3.225 11.911 211 HH2 TRP 25 HH2 TRP 25 17.072 5.303 10.551 212 H TYR 26 H TYR 26 10.708 -1.274 12.729 213 HA TYR 26 HA TYR 26 12.014 -1.795 15.287 214 HB2 TYR 26 1HB TYR 26 9.757 -3.384 14.072 215 HB3 TYR 26 2HB TYR 26 10.177 -3.209 15.771 216 HD1 TYR 26 HD1 TYR 26 10.418 -0.336 16.247 217 HD2 TYR 26 HD2 TYR 26 7.682 -2.469 13.695 218 HE1 TYR 26 HE1 TYR 26 8.856 1.595 16.319 219 HE2 TYR 26 HE2 TYR 26 6.101 -0.521 13.769 220 HH TYR 26 HH TYR 26 6.879 2.469 15.580 221 H ILE 27 H ILE 27 11.974 -3.364 12.144 222 HA ILE 27 HA ILE 27 12.968 -5.946 12.952 223 HB ILE 27 HB ILE 27 13.290 -4.549 10.264 224 HG12 ILE 27 1HG1 ILE 27 10.942 -4.638 10.660 225 HG13 ILE 27 2HG1 ILE 27 11.359 -5.883 9.518 226 HG21 ILE 27 1HG2 ILE 27 13.539 -7.491 10.996 227 HG22 ILE 27 2HG2 ILE 27 13.455 -6.856 9.340 228 HG23 ILE 27 3HG2 ILE 27 14.811 -6.422 10.376 229 HD11 ILE 27 3HD1 ILE 27 11.389 -7.410 11.761 230 HD12 ILE 27 1HD1 ILE 27 10.300 -6.112 12.312 231 HD13 ILE 27 2HD1 ILE 27 9.915 -7.055 10.859 232 H LYS 28 H LYS 28 14.668 -3.102 11.611 233 HA LYS 28 HA LYS 28 17.327 -4.219 12.060 234 HB2 LYS 28 1HB LYS 28 16.901 -2.839 10.117 235 HB3 LYS 28 2HB LYS 28 16.296 -1.518 11.117 236 HG2 LYS 28 1HG LYS 28 18.531 -1.040 10.279 237 HG3 LYS 28 2HG LYS 28 18.485 -1.115 12.038 238 HD2 LYS 28 1HD LYS 28 19.412 -3.517 11.839 239 HD3 LYS 28 2HD LYS 28 19.564 -3.237 10.113 240 HE2 LYS 28 1HE LYS 28 21.685 -2.962 11.307 241 HE3 LYS 28 2HE LYS 28 21.208 -1.458 10.512 242 HZ1 LYS 28 3HZ LYS 28 20.578 -1.964 13.365 243 HZ2 LYS 28 1HZ LYS 28 20.633 -0.524 12.592 244 HZ3 LYS 28 2HZ LYS 28 22.017 -1.319 12.921 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 -10.880 -9.747 -13.619 2 H2 ASN 1 2H ASN 1 -11.765 -9.494 -14.975 3 H3 ASN 1 3H ASN 1 -10.302 -10.228 -15.079 4 HA ASN 1 HA ASN 1 -9.345 -8.106 -14.087 5 HB2 ASN 1 1HB ASN 1 -10.430 -8.098 -16.946 6 HB3 ASN 1 2HB ASN 1 -9.227 -6.981 -16.307 7 HD21 ASN 1 2HD2 ASN 1 -7.154 -7.564 -17.082 8 HD22 ASN 1 1HD2 ASN 1 -6.647 -9.238 -17.210 9 H GLU 2 H GLU 2 -9.895 -6.158 -13.194 10 HA GLU 2 HA GLU 2 -12.483 -4.861 -13.956 11 HB2 GLU 2 1HB GLU 2 -11.475 -5.374 -11.138 12 HB3 GLU 2 2HB GLU 2 -12.688 -4.167 -11.559 13 HG2 GLU 2 1HG GLU 2 -14.309 -5.635 -11.471 14 HG3 GLU 2 2HG GLU 2 -13.605 -6.567 -12.773 15 H GLN 3 H GLN 3 -11.181 -3.588 -15.360 16 HA GLN 3 HA GLN 3 -9.086 -1.829 -14.628 17 HB2 GLN 3 1HB GLN 3 -11.332 -1.544 -16.647 18 HB3 GLN 3 2HB GLN 3 -10.004 -0.399 -16.523 19 HG2 GLN 3 1HG GLN 3 -9.625 -3.381 -17.059 20 HG3 GLN 3 2HG GLN 3 -9.734 -2.151 -18.312 21 HE21 GLN 3 2HE2 GLN 3 -7.418 -4.023 -17.259 22 HE22 GLN 3 1HE2 GLN 3 -6.104 -2.855 -17.163 23 H GLU 4 H GLU 4 -12.566 -1.490 -14.144 24 HA GLU 4 HA GLU 4 -12.629 1.208 -13.192 25 HB2 GLU 4 1HB GLU 4 -14.852 0.727 -12.471 26 HB3 GLU 4 2HB GLU 4 -14.579 -0.085 -14.013 27 HG2 GLU 4 1HG GLU 4 -14.103 -2.220 -12.688 28 HG3 GLU 4 2HG GLU 4 -14.644 -1.363 -11.243 29 H LEU 5 H LEU 5 -11.794 -1.775 -11.496 30 HA LEU 5 HA LEU 5 -11.756 -0.388 -8.859 31 HB2 LEU 5 1HB LEU 5 -12.144 -3.149 -9.666 32 HB3 LEU 5 2HB LEU 5 -10.684 -3.045 -8.703 33 HG LEU 5 HG LEU 5 -12.118 -1.657 -7.013 34 HD11 LEU 5 1HD1 LEU 5 -14.071 -1.314 -8.518 35 HD12 LEU 5 2HD1 LEU 5 -14.525 -2.195 -7.049 36 HD13 LEU 5 3HD1 LEU 5 -14.325 -3.072 -8.582 37 HD21 LEU 5 3HD2 LEU 5 -12.581 -4.626 -7.491 38 HD22 LEU 5 1HD2 LEU 5 -13.000 -3.758 -5.995 39 HD23 LEU 5 2HD2 LEU 5 -11.308 -3.875 -6.501 40 H LEU 6 H LEU 6 -9.615 -1.536 -11.368 41 HA LEU 6 HA LEU 6 -7.186 -1.725 -10.086 42 HB2 LEU 6 1HB LEU 6 -8.098 -1.735 -12.741 43 HB3 LEU 6 2HB LEU 6 -7.012 -0.365 -12.715 44 HG LEU 6 HG LEU 6 -5.365 -2.071 -11.516 45 HD11 LEU 6 1HD1 LEU 6 -7.048 -3.884 -11.271 46 HD12 LEU 6 2HD1 LEU 6 -5.705 -4.403 -12.312 47 HD13 LEU 6 3HD1 LEU 6 -7.259 -3.933 -13.031 48 HD21 LEU 6 3HD2 LEU 6 -5.799 -2.673 -14.445 49 HD22 LEU 6 1HD2 LEU 6 -4.292 -2.480 -13.526 50 HD23 LEU 6 2HD2 LEU 6 -5.260 -1.060 -13.937 51 H GLU 7 H GLU 7 -8.727 1.254 -11.162 52 HA GLU 7 HA GLU 7 -6.673 3.144 -10.665 53 HB2 GLU 7 1HB GLU 7 -8.431 4.798 -10.662 54 HB3 GLU 7 2HB GLU 7 -8.764 3.571 -11.884 55 HG2 GLU 7 1HG GLU 7 -10.325 2.464 -10.182 56 HG3 GLU 7 2HG GLU 7 -10.084 3.871 -9.154 57 H LEU 8 H LEU 8 -8.790 1.531 -8.372 58 HA LEU 8 HA LEU 8 -7.807 3.118 -6.063 59 HB2 LEU 8 1HB LEU 8 -10.215 2.683 -6.289 60 HB3 LEU 8 2HB LEU 8 -9.925 0.947 -6.331 61 HG LEU 8 HG LEU 8 -9.157 0.959 -4.005 62 HD11 LEU 8 1HD1 LEU 8 -9.562 3.125 -2.663 63 HD12 LEU 8 2HD1 LEU 8 -9.535 3.972 -4.226 64 HD13 LEU 8 3HD1 LEU 8 -8.111 3.070 -3.664 65 HD21 LEU 8 3HD2 LEU 8 -11.581 0.758 -4.532 66 HD22 LEU 8 1HD2 LEU 8 -11.756 2.514 -4.311 67 HD23 LEU 8 2HD2 LEU 8 -11.277 1.481 -2.945 68 H ASP 9 H ASP 9 -7.506 -0.094 -7.522 69 HA ASP 9 HA ASP 9 -6.213 -1.518 -5.474 70 HB2 ASP 9 1HB ASP 9 -6.969 -2.464 -7.660 71 HB3 ASP 9 2HB ASP 9 -5.627 -1.649 -8.453 72 H LYS 10 H LYS 10 -4.673 0.624 -7.899 73 HA LYS 10 HA LYS 10 -1.948 0.357 -6.923 74 HB2 LYS 10 1HB LYS 10 -3.393 2.496 -8.537 75 HB3 LYS 10 2HB LYS 10 -1.784 2.785 -7.906 76 HG2 LYS 10 1HG LYS 10 -1.388 2.108 -10.054 77 HG3 LYS 10 2HG LYS 10 -0.954 0.711 -9.086 78 HD2 LYS 10 1HD LYS 10 -3.706 0.944 -10.341 79 HD3 LYS 10 2HD LYS 10 -2.348 0.501 -11.347 80 HE2 LYS 10 1HE LYS 10 -2.997 -1.036 -8.803 81 HE3 LYS 10 2HE LYS 10 -3.763 -1.405 -10.346 82 HZ1 LYS 10 3HZ LYS 10 -0.827 -1.439 -9.906 83 HZ2 LYS 10 1HZ LYS 10 -1.586 -1.841 -11.295 84 HZ3 LYS 10 2HZ LYS 10 -1.783 -2.760 -9.960 85 H TRP 11 H TRP 11 -4.508 2.639 -6.077 86 HA TRP 11 HA TRP 11 -3.040 4.190 -4.182 87 HB2 TRP 11 1HB TRP 11 -5.590 4.260 -5.279 88 HB3 TRP 11 2HB TRP 11 -5.922 3.866 -3.605 89 HD1 TRP 11 HD1 TRP 11 -4.045 5.621 -2.003 90 HE1 TRP 11 HE1 TRP 11 -4.106 8.206 -2.075 91 HE3 TRP 11 HE3 TRP 11 -6.384 6.278 -6.520 92 HZ2 TRP 11 HZ2 TRP 11 -5.043 10.259 -3.836 93 HZ3 TRP 11 HZ3 TRP 11 -6.843 8.571 -7.371 94 HH2 TRP 11 HH2 TRP 11 -6.178 10.562 -6.043 95 H ALA 12 H ALA 12 -5.018 1.251 -3.692 96 HA ALA 12 HA ALA 12 -4.641 1.025 -0.872 97 HB1 ALA 12 3HB ALA 12 -5.136 -1.183 -2.912 98 HB2 ALA 12 1HB ALA 12 -5.465 -1.241 -1.168 99 HB3 ALA 12 2HB ALA 12 -6.390 -0.139 -2.205 100 H SER 13 H SER 13 -2.626 -0.150 -3.568 101 HA SER 13 HA SER 13 -0.769 -1.736 -2.131 102 HB2 SER 13 1HB SER 13 -0.965 -1.476 -4.640 103 HB3 SER 13 2HB SER 13 -0.081 0.054 -4.490 104 HG SER 13 HG SER 13 1.302 -1.728 -4.942 105 H LEU 14 H LEU 14 -0.666 1.768 -2.779 106 HA LEU 14 HA LEU 14 1.720 2.387 -1.297 107 HB2 LEU 14 1HB LEU 14 -0.655 3.905 -2.373 108 HB3 LEU 14 2HB LEU 14 0.394 4.726 -1.233 109 HG LEU 14 HG LEU 14 1.584 3.339 -3.661 110 HD11 LEU 14 1HD1 LEU 14 -0.135 4.829 -4.534 111 HD12 LEU 14 2HD1 LEU 14 1.466 5.525 -4.829 112 HD13 LEU 14 3HD1 LEU 14 0.451 6.164 -3.513 113 HD21 LEU 14 3HD2 LEU 14 3.164 4.074 -1.920 114 HD22 LEU 14 1HD2 LEU 14 2.436 5.693 -1.905 115 HD23 LEU 14 2HD2 LEU 14 3.315 5.124 -3.337 116 H TRP 15 H TRP 15 -1.668 2.141 -0.254 117 HA TRP 15 HA TRP 15 -1.350 3.219 2.371 118 HB2 TRP 15 1HB TRP 15 -3.427 1.987 0.869 119 HB3 TRP 15 2HB TRP 15 -3.273 1.032 2.327 120 HD1 TRP 15 HD1 TRP 15 -4.286 2.044 4.494 121 HE1 TRP 15 HE1 TRP 15 -5.500 4.243 5.088 122 HE3 TRP 15 HE3 TRP 15 -3.340 4.670 0.213 123 HZ2 TRP 15 HZ2 TRP 15 -6.018 6.792 3.845 124 HZ3 TRP 15 HZ3 TRP 15 -4.183 7.010 -0.045 125 HH2 TRP 15 HH2 TRP 15 -5.532 8.062 1.743 126 H ASN 16 H ASN 16 -0.981 -0.147 1.227 127 HA ASN 16 HA ASN 16 -0.223 -1.185 3.815 128 HB2 ASN 16 1HB ASN 16 -1.065 -2.375 1.584 129 HB3 ASN 16 2HB ASN 16 0.659 -2.513 1.247 130 HD21 ASN 16 2HD2 ASN 16 1.922 -3.325 3.477 131 HD22 ASN 16 1HD2 ASN 16 1.089 -4.710 4.177 132 H TRP 17 H TRP 17 1.683 0.161 1.111 133 HA TRP 17 HA TRP 17 4.291 -0.426 2.100 134 HB2 TRP 17 1HB TRP 17 3.944 0.366 -0.155 135 HB3 TRP 17 2HB TRP 17 3.288 1.891 0.424 136 HD1 TRP 17 HD1 TRP 17 6.622 0.015 0.175 137 HE1 TRP 17 HE1 TRP 17 8.562 1.702 0.326 138 HE3 TRP 17 HE3 TRP 17 3.943 4.251 1.260 139 HZ2 TRP 17 HZ2 TRP 17 8.909 4.501 0.887 140 HZ3 TRP 17 HZ3 TRP 17 5.115 6.417 1.617 141 HH2 TRP 17 HH2 TRP 17 7.589 6.553 1.435 142 H PHE 18 H PHE 18 2.148 2.335 2.922 143 HA PHE 18 HA PHE 18 3.941 3.819 4.489 144 HB2 PHE 18 1HB PHE 18 1.497 4.305 3.777 145 HB3 PHE 18 2HB PHE 18 1.033 3.485 5.259 146 HD1 PHE 18 HD1 PHE 18 2.046 4.424 7.512 147 HD2 PHE 18 HD2 PHE 18 2.100 6.583 3.772 148 HE1 PHE 18 HE1 PHE 18 2.480 6.535 8.732 149 HE2 PHE 18 HE2 PHE 18 2.497 8.698 5.007 150 HZ PHE 18 HZ PHE 18 2.705 8.677 7.486 151 H ASN 19 H ASN 19 2.155 0.903 5.428 152 HA ASN 19 HA ASN 19 2.921 0.958 8.234 153 HB2 ASN 19 1HB ASN 19 1.426 -0.852 6.424 154 HB3 ASN 19 2HB ASN 19 2.453 -1.723 7.550 155 HD21 ASN 19 2HD2 ASN 19 -0.547 -0.036 7.253 156 HD22 ASN 19 1HD2 ASN 19 -0.904 -0.065 8.975 157 H ILE 20 H ILE 20 4.345 -0.568 5.337 158 HA ILE 20 HA ILE 20 6.472 -1.951 6.659 159 HB ILE 20 HB ILE 20 6.457 -0.858 3.831 160 HG12 ILE 20 1HG1 ILE 20 4.568 -2.300 3.969 161 HG13 ILE 20 2HG1 ILE 20 5.849 -3.186 3.180 162 HG21 ILE 20 1HG2 ILE 20 8.101 -2.684 3.390 163 HG22 ILE 20 2HG2 ILE 20 8.719 -1.431 4.457 164 HG23 ILE 20 3HG2 ILE 20 8.199 -2.982 5.138 165 HD11 ILE 20 3HD1 ILE 20 4.887 -4.764 4.620 166 HD12 ILE 20 1HD1 ILE 20 6.307 -4.240 5.537 167 HD13 ILE 20 2HD1 ILE 20 4.699 -3.603 5.948 168 H THR 21 H THR 21 6.353 1.445 5.396 169 HA THR 21 HA THR 21 9.048 2.093 5.853 170 HB THR 21 HB THR 21 7.358 4.338 6.637 171 HG1 THR 21 HG1 THR 21 6.285 4.538 4.668 172 HG21 THR 21 3HG2 THR 21 9.645 4.410 5.554 173 HG22 THR 21 1HG2 THR 21 8.421 5.423 4.770 174 HG23 THR 21 2HG2 THR 21 8.877 3.866 4.042 175 H ASN 22 H ASN 22 6.383 2.021 8.209 176 HA ASN 22 HA ASN 22 8.164 2.926 10.371 177 HB2 ASN 22 1HB ASN 22 5.592 3.405 10.057 178 HB3 ASN 22 2HB ASN 22 5.387 1.828 10.824 179 HD21 ASN 22 2HD2 ASN 22 4.818 2.300 12.995 180 HD22 ASN 22 1HD2 ASN 22 5.674 3.513 13.941 181 H TRP 23 H TRP 23 6.913 -0.177 9.179 182 HA TRP 23 HA TRP 23 7.613 -1.821 11.371 183 HB2 TRP 23 1HB TRP 23 6.266 -2.454 9.337 184 HB3 TRP 23 2HB TRP 23 7.773 -2.580 8.441 185 HD1 TRP 23 HD1 TRP 23 6.928 -3.977 11.964 186 HE1 TRP 23 HE1 TRP 23 7.303 -6.515 11.976 187 HE3 TRP 23 HE3 TRP 23 8.231 -4.644 7.047 188 HZ2 TRP 23 HZ2 TRP 23 7.983 -8.575 10.100 189 HZ3 TRP 23 HZ3 TRP 23 8.725 -6.926 6.186 190 HH2 TRP 23 HH2 TRP 23 8.600 -8.894 7.696 191 H LEU 24 H LEU 24 9.714 -0.437 8.928 192 HA LEU 24 HA LEU 24 12.043 -1.950 9.215 193 HB2 LEU 24 1HB LEU 24 11.369 0.678 8.200 194 HB3 LEU 24 2HB LEU 24 12.749 0.875 9.246 195 HG LEU 24 HG LEU 24 13.543 -1.348 7.794 196 HD11 LEU 24 1HD1 LEU 24 12.152 0.489 5.806 197 HD12 LEU 24 2HD1 LEU 24 11.451 -1.046 6.361 198 HD13 LEU 24 3HD1 LEU 24 12.994 -1.043 5.484 199 HD21 LEU 24 3HD2 LEU 24 14.924 0.236 6.472 200 HD22 LEU 24 1HD2 LEU 24 14.949 0.573 8.211 201 HD23 LEU 24 2HD2 LEU 24 13.969 1.587 7.129 202 H TRP 25 H TRP 25 10.840 0.510 11.454 203 HA TRP 25 HA TRP 25 13.066 0.559 13.286 204 HB2 TRP 25 1HB TRP 25 10.124 1.234 13.674 205 HB3 TRP 25 2HB TRP 25 11.393 1.571 14.829 206 HD1 TRP 25 HD1 TRP 25 10.221 2.688 11.341 207 HE1 TRP 25 HE1 TRP 25 11.101 5.058 10.879 208 HE3 TRP 25 HE3 TRP 25 13.218 3.251 15.454 209 HZ2 TRP 25 HZ2 TRP 25 12.856 6.958 12.140 210 HZ3 TRP 25 HZ3 TRP 25 14.487 5.363 15.801 211 HH2 TRP 25 HH2 TRP 25 14.311 7.219 14.158 212 H TYR 26 H TYR 26 10.328 -1.650 12.933 213 HA TYR 26 HA TYR 26 10.639 -2.888 15.549 214 HB2 TYR 26 1HB TYR 26 8.609 -2.842 13.703 215 HB3 TYR 26 2HB TYR 26 9.311 -4.416 13.365 216 HD1 TYR 26 HD1 TYR 26 9.496 -6.116 15.269 217 HD2 TYR 26 HD2 TYR 26 7.423 -2.360 15.698 218 HE1 TYR 26 HE1 TYR 26 8.432 -6.948 17.363 219 HE2 TYR 26 HE2 TYR 26 6.342 -3.201 17.796 220 HH TYR 26 HH TYR 26 7.107 -6.423 19.156 221 H ILE 27 H ILE 27 11.685 -3.591 12.232 222 HA ILE 27 HA ILE 27 12.950 -6.121 12.771 223 HB ILE 27 HB ILE 27 13.511 -4.132 10.534 224 HG12 ILE 27 1HG1 ILE 27 11.184 -4.692 10.382 225 HG13 ILE 27 2HG1 ILE 27 12.065 -5.529 9.134 226 HG21 ILE 27 1HG2 ILE 27 15.332 -5.692 10.594 227 HG22 ILE 27 2HG2 ILE 27 14.243 -7.072 10.821 228 HG23 ILE 27 3HG2 ILE 27 14.273 -6.194 9.279 229 HD11 ILE 27 3HD1 ILE 27 12.018 -7.551 10.922 230 HD12 ILE 27 1HD1 ILE 27 10.620 -6.631 11.526 231 HD13 ILE 27 2HD1 ILE 27 10.662 -7.207 9.847 232 H LYS 28 H LYS 28 14.376 -2.855 12.388 233 HA LYS 28 HA LYS 28 17.062 -3.704 13.199 234 HB2 LYS 28 1HB LYS 28 16.821 -2.041 11.477 235 HB3 LYS 28 2HB LYS 28 15.806 -1.029 12.499 236 HG2 LYS 28 1HG LYS 28 17.570 0.060 13.276 237 HG3 LYS 28 2HG LYS 28 18.270 -1.422 13.921 238 HD2 LYS 28 1HD LYS 28 19.399 -1.886 11.810 239 HD3 LYS 28 2HD LYS 28 18.708 -0.414 11.082 240 HE2 LYS 28 1HE LYS 28 19.943 1.031 12.473 241 HE3 LYS 28 2HE LYS 28 20.167 -0.200 13.717 242 HZ1 LYS 28 3HZ LYS 28 21.578 -0.120 11.110 243 HZ2 LYS 28 1HZ LYS 28 21.696 -1.355 12.179 244 HZ3 LYS 28 2HZ LYS 28 22.232 0.127 12.585 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 -18.005 -1.797 -13.540 2 H2 ASN 1 2H ASN 1 -18.216 -3.422 -13.484 3 H3 ASN 1 3H ASN 1 -18.904 -2.466 -12.345 4 HA ASN 1 HA ASN 1 -16.728 -1.790 -11.527 5 HB2 ASN 1 1HB ASN 1 -17.221 -4.802 -11.492 6 HB3 ASN 1 2HB ASN 1 -16.105 -3.933 -10.440 7 HD21 ASN 1 2HD2 ASN 1 -17.059 -3.980 -8.356 8 HD22 ASN 1 1HD2 ASN 1 -18.735 -3.531 -8.101 9 H GLU 2 H GLU 2 -15.560 -0.983 -13.447 10 HA GLU 2 HA GLU 2 -13.442 -2.917 -14.335 11 HB2 GLU 2 1HB GLU 2 -15.079 -2.207 -16.134 12 HB3 GLU 2 2HB GLU 2 -14.460 -0.563 -15.962 13 HG2 GLU 2 1HG GLU 2 -12.129 -1.513 -16.416 14 HG3 GLU 2 2HG GLU 2 -12.900 -3.060 -16.765 15 H GLN 3 H GLN 3 -13.824 0.667 -14.410 16 HA GLN 3 HA GLN 3 -11.140 1.177 -13.655 17 HB2 GLN 3 1HB GLN 3 -11.741 3.454 -13.466 18 HB3 GLN 3 2HB GLN 3 -12.670 2.777 -14.803 19 HG2 GLN 3 1HG GLN 3 -14.666 2.606 -13.278 20 HG3 GLN 3 2HG GLN 3 -13.717 3.362 -11.988 21 HE21 GLN 3 2HE2 GLN 3 -16.134 4.525 -12.786 22 HE22 GLN 3 1HE2 GLN 3 -15.738 6.034 -13.602 23 H GLU 4 H GLU 4 -13.926 0.561 -11.591 24 HA GLU 4 HA GLU 4 -12.931 1.678 -9.151 25 HB2 GLU 4 1HB GLU 4 -14.844 -0.656 -9.553 26 HB3 GLU 4 2HB GLU 4 -14.574 0.215 -8.035 27 HG2 GLU 4 1HG GLU 4 -15.284 2.341 -9.208 28 HG3 GLU 4 2HG GLU 4 -15.762 1.357 -10.596 29 H LEU 5 H LEU 5 -12.476 -1.532 -10.572 30 HA LEU 5 HA LEU 5 -11.053 -2.710 -8.327 31 HB2 LEU 5 1HB LEU 5 -11.575 -3.380 -11.219 32 HB3 LEU 5 2HB LEU 5 -10.185 -4.148 -10.473 33 HG LEU 5 HG LEU 5 -12.897 -4.237 -9.106 34 HD11 LEU 5 1HD1 LEU 5 -13.150 -6.516 -10.159 35 HD12 LEU 5 2HD1 LEU 5 -11.822 -6.095 -11.265 36 HD13 LEU 5 3HD1 LEU 5 -13.334 -5.161 -11.283 37 HD21 LEU 5 3HD2 LEU 5 -10.503 -6.134 -9.063 38 HD22 LEU 5 1HD2 LEU 5 -11.969 -6.247 -8.066 39 HD23 LEU 5 2HD2 LEU 5 -10.838 -4.909 -7.823 40 H LEU 6 H LEU 6 -10.019 -1.082 -11.328 41 HA LEU 6 HA LEU 6 -7.200 -1.242 -10.803 42 HB2 LEU 6 1HB LEU 6 -8.715 0.761 -12.521 43 HB3 LEU 6 2HB LEU 6 -6.983 0.446 -12.567 44 HG LEU 6 HG LEU 6 -9.200 -1.475 -13.387 45 HD11 LEU 6 1HD1 LEU 6 -8.254 -1.232 -15.611 46 HD12 LEU 6 2HD1 LEU 6 -6.957 -0.188 -14.989 47 HD13 LEU 6 3HD1 LEU 6 -8.645 0.370 -14.967 48 HD21 LEU 6 3HD2 LEU 6 -6.191 -1.928 -13.254 49 HD22 LEU 6 1HD2 LEU 6 -7.319 -2.949 -14.176 50 HD23 LEU 6 2HD2 LEU 6 -7.464 -2.853 -12.420 51 H GLU 7 H GLU 7 -9.589 1.251 -9.959 52 HA GLU 7 HA GLU 7 -7.966 3.286 -8.939 53 HB2 GLU 7 1HB GLU 7 -10.738 2.419 -8.699 54 HB3 GLU 7 2HB GLU 7 -10.188 2.986 -7.143 55 HG2 GLU 7 1HG GLU 7 -9.748 4.623 -9.668 56 HG3 GLU 7 2HG GLU 7 -11.284 4.640 -8.814 57 H LEU 8 H LEU 8 -8.973 0.316 -7.236 58 HA LEU 8 HA LEU 8 -7.327 0.964 -4.882 59 HB2 LEU 8 1HB LEU 8 -9.574 -0.235 -4.860 60 HB3 LEU 8 2HB LEU 8 -8.752 -1.637 -5.525 61 HG LEU 8 HG LEU 8 -7.219 -0.671 -3.236 62 HD11 LEU 8 1HD1 LEU 8 -8.840 -0.915 -1.441 63 HD12 LEU 8 2HD1 LEU 8 -10.157 -1.136 -2.619 64 HD13 LEU 8 3HD1 LEU 8 -9.299 0.419 -2.512 65 HD21 LEU 8 3HD2 LEU 8 -8.939 -3.156 -3.589 66 HD22 LEU 8 1HD2 LEU 8 -7.711 -2.903 -2.327 67 HD23 LEU 8 2HD2 LEU 8 -7.222 -2.991 -4.027 68 H ASP 9 H ASP 9 -7.008 -1.089 -7.776 69 HA ASP 9 HA ASP 9 -4.837 -2.697 -7.009 70 HB2 ASP 9 1HB ASP 9 -6.193 -2.862 -9.140 71 HB3 ASP 9 2HB ASP 9 -5.260 -1.502 -9.767 72 H LYS 10 H LYS 10 -4.709 0.603 -8.384 73 HA LYS 10 HA LYS 10 -1.804 0.839 -8.281 74 HB2 LYS 10 1HB LYS 10 -3.865 3.083 -8.172 75 HB3 LYS 10 2HB LYS 10 -2.169 3.233 -8.623 76 HG2 LYS 10 1HG LYS 10 -4.371 1.829 -10.178 77 HG3 LYS 10 2HG LYS 10 -3.586 3.331 -10.605 78 HD2 LYS 10 1HD LYS 10 -2.158 0.631 -10.480 79 HD3 LYS 10 2HD LYS 10 -2.898 1.307 -11.930 80 HE2 LYS 10 1HE LYS 10 -1.461 3.278 -11.840 81 HE3 LYS 10 2HE LYS 10 -0.707 2.717 -10.342 82 HZ1 LYS 10 3HZ LYS 10 0.306 0.925 -11.502 83 HZ2 LYS 10 1HZ LYS 10 0.530 2.212 -12.480 84 HZ3 LYS 10 2HZ LYS 10 -0.620 1.111 -12.836 85 H TRP 11 H TRP 11 -4.357 1.686 -6.007 86 HA TRP 11 HA TRP 11 -2.686 2.964 -4.057 87 HB2 TRP 11 1HB TRP 11 -5.348 2.821 -4.426 88 HB3 TRP 11 2HB TRP 11 -5.203 1.576 -3.200 89 HD1 TRP 11 HD1 TRP 11 -3.954 5.204 -3.747 90 HE1 TRP 11 HE1 TRP 11 -4.247 6.558 -1.576 91 HE3 TRP 11 HE3 TRP 11 -5.828 1.511 -0.713 92 HZ2 TRP 11 HZ2 TRP 11 -5.200 6.117 1.092 93 HZ3 TRP 11 HZ3 TRP 11 -6.440 2.025 1.645 94 HH2 TRP 11 HH2 TRP 11 -6.135 4.315 2.554 95 H ALA 12 H ALA 12 -3.453 -0.457 -4.546 96 HA ALA 12 HA ALA 12 -2.510 -1.529 -2.123 97 HB1 ALA 12 3HB ALA 12 -2.250 -2.722 -4.913 98 HB2 ALA 12 1HB ALA 12 -2.228 -3.606 -3.377 99 HB3 ALA 12 2HB ALA 12 -3.711 -2.782 -3.901 100 H SER 13 H SER 13 -0.570 -0.551 -4.980 101 HA SER 13 HA SER 13 1.976 -1.468 -4.117 102 HB2 SER 13 1HB SER 13 1.328 1.022 -5.748 103 HB3 SER 13 2HB SER 13 2.895 0.198 -5.659 104 HG SER 13 HG SER 13 1.652 -0.421 -7.511 105 H LEU 14 H LEU 14 0.293 1.586 -3.450 106 HA LEU 14 HA LEU 14 2.381 2.772 -1.792 107 HB2 LEU 14 1HB LEU 14 -0.521 3.360 -2.431 108 HB3 LEU 14 2HB LEU 14 0.248 4.196 -1.095 109 HG LEU 14 HG LEU 14 1.764 4.143 -3.697 110 HD11 LEU 14 1HD1 LEU 14 -0.495 4.657 -4.470 111 HD12 LEU 14 2HD1 LEU 14 0.533 6.098 -4.541 112 HD13 LEU 14 3HD1 LEU 14 -0.660 5.923 -3.229 113 HD21 LEU 14 3HD2 LEU 14 1.241 6.357 -1.665 114 HD22 LEU 14 1HD2 LEU 14 2.457 6.352 -2.961 115 HD23 LEU 14 2HD2 LEU 14 2.617 5.237 -1.591 116 H TRP 15 H TRP 15 -0.595 0.915 -1.094 117 HA TRP 15 HA TRP 15 -0.443 1.077 1.734 118 HB2 TRP 15 1HB TRP 15 -2.382 0.285 0.297 119 HB3 TRP 15 2HB TRP 15 -1.557 -1.261 0.152 120 HD1 TRP 15 HD1 TRP 15 -2.480 -2.959 1.832 121 HE1 TRP 15 HE1 TRP 15 -3.477 -2.899 4.211 122 HE3 TRP 15 HE3 TRP 15 -2.259 2.076 2.674 123 HZ2 TRP 15 HZ2 TRP 15 -4.004 -0.924 6.250 124 HZ3 TRP 15 HZ3 TRP 15 -2.986 3.032 4.859 125 HH2 TRP 15 HH2 TRP 15 -3.848 1.542 6.650 126 H ASN 16 H ASN 16 1.008 -1.341 -0.449 127 HA ASN 16 HA ASN 16 2.219 -2.994 1.527 128 HB2 ASN 16 1HB ASN 16 1.969 -3.485 -0.932 129 HB3 ASN 16 2HB ASN 16 3.257 -2.329 -1.269 130 HD21 ASN 16 2HD2 ASN 16 2.616 -5.612 -0.691 131 HD22 ASN 16 1HD2 ASN 16 4.266 -6.069 -0.291 132 H TRP 17 H TRP 17 3.559 -0.108 -0.160 133 HA TRP 17 HA TRP 17 6.033 0.018 1.265 134 HB2 TRP 17 1HB TRP 17 5.672 1.268 -0.780 135 HB3 TRP 17 2HB TRP 17 4.383 2.208 -0.038 136 HD1 TRP 17 HD1 TRP 17 8.196 1.735 0.167 137 HE1 TRP 17 HE1 TRP 17 9.273 3.856 1.144 138 HE3 TRP 17 HE3 TRP 17 3.942 4.325 1.388 139 HZ2 TRP 17 HZ2 TRP 17 8.410 6.323 2.338 140 HZ3 TRP 17 HZ3 TRP 17 4.107 6.556 2.477 141 HH2 TRP 17 HH2 TRP 17 6.328 7.563 2.953 142 H PHE 18 H PHE 18 2.907 1.647 2.019 143 HA PHE 18 HA PHE 18 3.742 3.088 4.260 144 HB2 PHE 18 1HB PHE 18 1.550 3.281 3.081 145 HB3 PHE 18 2HB PHE 18 1.021 1.800 3.872 146 HD1 PHE 18 HD2 PHE 18 2.642 5.084 4.837 147 HD2 PHE 18 HD1 PHE 18 -0.366 2.127 5.757 148 HE1 PHE 18 HE2 PHE 18 1.888 6.449 6.765 149 HE2 PHE 18 HE1 PHE 18 -1.129 3.509 7.672 150 HZ PHE 18 HZ PHE 18 -0.001 5.668 8.184 151 H ASN 19 H ASN 19 2.797 -0.331 4.158 152 HA ASN 19 HA ASN 19 2.838 -0.841 6.975 153 HB2 ASN 19 1HB ASN 19 1.890 -2.404 5.300 154 HB3 ASN 19 2HB ASN 19 3.501 -2.693 4.643 155 HD21 ASN 19 2HD2 ASN 19 1.320 -3.422 7.329 156 HD22 ASN 19 1HD2 ASN 19 2.395 -4.627 8.029 157 H ILE 20 H ILE 20 5.476 -1.000 4.546 158 HA ILE 20 HA ILE 20 7.564 -1.795 6.350 159 HB ILE 20 HB ILE 20 7.822 -0.244 3.758 160 HG12 ILE 20 1HG1 ILE 20 6.678 -2.310 3.275 161 HG13 ILE 20 2HG1 ILE 20 8.333 -2.410 2.721 162 HG21 ILE 20 1HG2 ILE 20 9.877 -0.041 4.983 163 HG22 ILE 20 2HG2 ILE 20 9.877 -1.762 5.409 164 HG23 ILE 20 3HG2 ILE 20 10.125 -1.249 3.725 165 HD11 ILE 20 3HD1 ILE 20 7.198 -3.747 5.216 166 HD12 ILE 20 1HD1 ILE 20 7.668 -4.526 3.699 167 HD13 ILE 20 2HD1 ILE 20 8.911 -3.800 4.728 168 H THR 21 H THR 21 6.521 1.525 5.287 169 HA THR 21 HA THR 21 8.477 2.953 6.703 170 HB THR 21 HB THR 21 5.848 4.281 6.846 171 HG1 THR 21 HG1 THR 21 5.816 4.552 4.538 172 HG21 THR 21 3HG2 THR 21 8.320 4.946 5.193 173 HG22 THR 21 1HG2 THR 21 8.150 5.367 6.916 174 HG23 THR 21 2HG2 THR 21 7.033 6.053 5.721 175 H ASN 22 H ASN 22 5.399 1.658 7.917 176 HA ASN 22 HA ASN 22 5.764 2.687 10.629 177 HB2 ASN 22 1HB ASN 22 3.534 2.259 9.722 178 HB3 ASN 22 2HB ASN 22 3.911 0.555 9.466 179 HD21 ASN 22 2HD2 ASN 22 3.786 -0.888 11.267 180 HD22 ASN 22 1HD2 ASN 22 3.284 -0.309 12.850 181 H TRP 23 H TRP 23 6.338 -0.499 9.051 182 HA TRP 23 HA TRP 23 7.042 -1.950 11.356 183 HB2 TRP 23 1HB TRP 23 6.548 -2.860 9.070 184 HB3 TRP 23 2HB TRP 23 8.152 -2.351 8.562 185 HD1 TRP 23 HD1 TRP 23 7.271 -4.167 11.867 186 HE1 TRP 23 HE1 TRP 23 8.494 -6.420 11.955 187 HE3 TRP 23 HE3 TRP 23 9.393 -4.134 7.197 188 HZ2 TRP 23 HZ2 TRP 23 10.127 -8.024 10.227 189 HZ3 TRP 23 HZ3 TRP 23 10.775 -6.063 6.443 190 HH2 TRP 23 HH2 TRP 23 11.149 -8.006 7.945 191 H LEU 24 H LEU 24 9.049 0.251 9.496 192 HA LEU 24 HA LEU 24 11.604 -0.343 10.433 193 HB2 LEU 24 1HB LEU 24 10.230 2.029 9.345 194 HB3 LEU 24 2HB LEU 24 11.436 2.493 10.513 195 HG LEU 24 HG LEU 24 12.395 2.576 8.348 196 HD11 LEU 24 1HD1 LEU 24 14.377 1.300 8.612 197 HD12 LEU 24 2HD1 LEU 24 13.569 0.067 9.594 198 HD13 LEU 24 3HD1 LEU 24 13.816 1.705 10.243 199 HD21 LEU 24 3HD2 LEU 24 10.983 1.068 7.105 200 HD22 LEU 24 1HD2 LEU 24 11.611 -0.340 7.987 201 HD23 LEU 24 2HD2 LEU 24 12.673 0.584 6.900 202 H TRP 25 H TRP 25 9.054 1.293 12.286 203 HA TRP 25 HA TRP 25 10.680 1.992 14.576 204 HB2 TRP 25 1HB TRP 25 7.772 1.924 13.909 205 HB3 TRP 25 2HB TRP 25 8.146 1.649 15.591 206 HD1 TRP 25 HD1 TRP 25 7.461 4.408 13.348 207 HE1 TRP 25 HE1 TRP 25 8.167 6.663 14.388 208 HE3 TRP 25 HE3 TRP 25 10.393 2.658 17.160 209 HZ2 TRP 25 HZ2 TRP 25 9.809 7.574 16.581 210 HZ3 TRP 25 HZ3 TRP 25 11.527 4.238 18.711 211 HH2 TRP 25 HH2 TRP 25 11.244 6.690 18.432 212 H TYR 26 H TYR 26 9.019 -0.984 13.654 213 HA TYR 26 HA TYR 26 9.275 -2.294 16.231 214 HB2 TYR 26 1HB TYR 26 7.704 -2.693 14.045 215 HB3 TYR 26 2HB TYR 26 8.954 -3.875 13.710 216 HD1 TYR 26 HD2 TYR 26 6.264 -2.822 15.996 217 HD2 TYR 26 HD1 TYR 26 9.205 -5.868 15.177 218 HE1 TYR 26 HE2 TYR 26 5.102 -4.374 17.579 219 HE2 TYR 26 HE1 TYR 26 8.045 -7.414 16.752 220 HH TYR 26 HH TYR 26 6.259 -7.714 18.154 221 H ILE 27 H ILE 27 11.172 -2.242 13.230 222 HA ILE 27 HA ILE 27 13.079 -4.285 13.870 223 HB ILE 27 HB ILE 27 13.499 -1.782 12.190 224 HG12 ILE 27 1HG1 ILE 27 11.625 -2.997 11.266 225 HG13 ILE 27 2HG1 ILE 27 13.021 -3.150 10.233 226 HG21 ILE 27 1HG2 ILE 27 15.243 -3.193 11.032 227 HG22 ILE 27 2HG2 ILE 27 15.651 -2.726 12.682 228 HG23 ILE 27 3HG2 ILE 27 15.086 -4.373 12.353 229 HD11 ILE 27 3HD1 ILE 27 11.903 -5.284 12.107 230 HD12 ILE 27 1HD1 ILE 27 11.858 -5.261 10.337 231 HD13 ILE 27 2HD1 ILE 27 13.405 -5.470 11.162 232 H LYS 28 H LYS 28 13.207 -0.802 14.397 233 HA LYS 28 HA LYS 28 14.395 0.589 15.755 234 HB2 LYS 28 1HB LYS 28 13.111 -1.142 17.338 235 HB3 LYS 28 2HB LYS 28 14.736 -1.583 17.815 236 HG2 LYS 28 1HG LYS 28 14.458 1.337 17.819 237 HG3 LYS 28 2HG LYS 28 13.089 0.613 18.659 238 HD2 LYS 28 1HD LYS 28 14.753 -0.700 20.080 239 HD3 LYS 28 2HD LYS 28 16.038 0.206 19.272 240 HE2 LYS 28 1HE LYS 28 15.773 1.578 21.088 241 HE3 LYS 28 2HE LYS 28 14.603 2.320 19.995 242 HZ1 LYS 28 3HZ LYS 28 12.880 0.906 21.123 243 HZ2 LYS 28 1HZ LYS 28 13.579 1.983 22.131 244 HZ3 LYS 28 2HZ LYS 28 14.011 0.414 22.197 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 -13.936 -6.886 -15.445 2 H2 ASN 1 2H ASN 1 -12.656 -5.900 -15.226 3 H3 ASN 1 3H ASN 1 -12.536 -7.494 -14.857 4 HA ASN 1 HA ASN 1 -14.351 -5.597 -13.525 5 HB2 ASN 1 1HB ASN 1 -13.579 -8.324 -12.423 6 HB3 ASN 1 2HB ASN 1 -14.877 -7.253 -11.911 7 HD21 ASN 1 2HD2 ASN 1 -16.741 -6.908 -13.650 8 HD22 ASN 1 1HD2 ASN 1 -17.017 -8.296 -14.685 9 H GLU 2 H GLU 2 -11.463 -7.604 -12.555 10 HA GLU 2 HA GLU 2 -10.680 -5.852 -10.512 11 HB2 GLU 2 1HB GLU 2 -9.785 -8.303 -11.619 12 HB3 GLU 2 2HB GLU 2 -8.390 -7.228 -11.710 13 HG2 GLU 2 1HG GLU 2 -8.716 -6.662 -9.290 14 HG3 GLU 2 2HG GLU 2 -10.045 -7.823 -9.220 15 H GLN 3 H GLN 3 -9.530 -5.844 -13.912 16 HA GLN 3 HA GLN 3 -7.532 -3.862 -13.626 17 HB2 GLN 3 1HB GLN 3 -9.254 -4.512 -16.047 18 HB3 GLN 3 2HB GLN 3 -7.863 -3.424 -16.059 19 HG2 GLN 3 1HG GLN 3 -6.476 -5.363 -15.113 20 HG3 GLN 3 2HG GLN 3 -7.835 -6.415 -15.528 21 HE21 GLN 3 2HE2 GLN 3 -8.635 -6.031 -18.000 22 HE22 GLN 3 1HE2 GLN 3 -7.293 -5.863 -19.127 23 H GLU 4 H GLU 4 -11.037 -3.365 -14.118 24 HA GLU 4 HA GLU 4 -10.780 -0.477 -14.478 25 HB2 GLU 4 1HB GLU 4 -13.238 -2.108 -13.724 26 HB3 GLU 4 2HB GLU 4 -13.199 -0.404 -14.191 27 HG2 GLU 4 1HG GLU 4 -11.983 -1.308 -16.362 28 HG3 GLU 4 2HG GLU 4 -12.726 -2.842 -15.910 29 H LEU 5 H LEU 5 -10.952 -2.556 -11.665 30 HA LEU 5 HA LEU 5 -11.430 -0.289 -9.826 31 HB2 LEU 5 1HB LEU 5 -12.101 -2.968 -9.688 32 HB3 LEU 5 2HB LEU 5 -10.605 -2.949 -8.764 33 HG LEU 5 HG LEU 5 -11.683 -0.890 -7.510 34 HD11 LEU 5 1HD1 LEU 5 -14.144 -0.924 -7.460 35 HD12 LEU 5 2HD1 LEU 5 -14.177 -2.229 -8.665 36 HD13 LEU 5 3HD1 LEU 5 -13.590 -0.616 -9.113 37 HD21 LEU 5 3HD2 LEU 5 -12.811 -3.698 -7.160 38 HD22 LEU 5 1HD2 LEU 5 -12.869 -2.388 -5.956 39 HD23 LEU 5 2HD2 LEU 5 -11.309 -3.065 -6.446 40 H LEU 6 H LEU 6 -8.755 -2.070 -11.114 41 HA LEU 6 HA LEU 6 -6.741 -1.725 -9.258 42 HB2 LEU 6 1HB LEU 6 -6.983 -2.756 -11.791 43 HB3 LEU 6 2HB LEU 6 -5.886 -1.428 -12.098 44 HG LEU 6 HG LEU 6 -5.482 -3.625 -10.005 45 HD11 LEU 6 1HD1 LEU 6 -3.870 -4.583 -11.598 46 HD12 LEU 6 2HD1 LEU 6 -4.274 -3.325 -12.788 47 HD13 LEU 6 3HD1 LEU 6 -5.491 -4.527 -12.299 48 HD21 LEU 6 3HD2 LEU 6 -3.090 -2.907 -10.082 49 HD22 LEU 6 1HD2 LEU 6 -4.147 -1.657 -9.438 50 HD23 LEU 6 2HD2 LEU 6 -3.555 -1.530 -11.108 51 H GLU 7 H GLU 7 -8.031 0.730 -11.374 52 HA GLU 7 HA GLU 7 -5.996 2.716 -11.215 53 HB2 GLU 7 1HB GLU 7 -7.683 4.276 -11.933 54 HB3 GLU 7 2HB GLU 7 -7.883 2.755 -12.766 55 HG2 GLU 7 1HG GLU 7 -10.041 2.976 -12.315 56 HG3 GLU 7 2HG GLU 7 -9.656 2.339 -10.725 57 H LEU 8 H LEU 8 -8.469 1.809 -8.886 58 HA LEU 8 HA LEU 8 -7.714 3.966 -6.994 59 HB2 LEU 8 1HB LEU 8 -10.137 2.919 -7.679 60 HB3 LEU 8 2HB LEU 8 -9.774 1.905 -6.292 61 HG LEU 8 HG LEU 8 -9.805 4.968 -6.329 62 HD11 LEU 8 1HD1 LEU 8 -11.835 2.997 -5.199 63 HD12 LEU 8 2HD1 LEU 8 -12.038 3.968 -6.676 64 HD13 LEU 8 3HD1 LEU 8 -11.919 4.772 -5.105 65 HD21 LEU 8 3HD2 LEU 8 -9.528 3.007 -4.011 66 HD22 LEU 8 1HD2 LEU 8 -9.923 4.733 -3.820 67 HD23 LEU 8 2HD2 LEU 8 -8.378 4.267 -4.518 68 H ASP 9 H ASP 9 -7.341 0.480 -7.468 69 HA ASP 9 HA ASP 9 -6.412 -0.279 -4.908 70 HB2 ASP 9 1HB ASP 9 -6.918 -1.818 -6.802 71 HB3 ASP 9 2HB ASP 9 -5.409 -1.313 -7.569 72 H LYS 10 H LYS 10 -4.679 1.484 -7.434 73 HA LYS 10 HA LYS 10 -2.020 1.394 -6.358 74 HB2 LYS 10 1HB LYS 10 -3.520 3.150 -8.265 75 HB3 LYS 10 2HB LYS 10 -2.282 3.987 -7.365 76 HG2 LYS 10 1HG LYS 10 -0.942 3.370 -9.036 77 HG3 LYS 10 2HG LYS 10 -0.761 1.896 -8.094 78 HD2 LYS 10 1HD LYS 10 -2.490 0.789 -9.478 79 HD3 LYS 10 2HD LYS 10 -2.735 2.276 -10.407 80 HE2 LYS 10 1HE LYS 10 0.040 1.069 -10.174 81 HE3 LYS 10 2HE LYS 10 -1.123 0.346 -11.286 82 HZ1 LYS 10 3HZ LYS 10 0.248 2.027 -12.383 83 HZ2 LYS 10 1HZ LYS 10 -0.288 3.198 -11.384 84 HZ3 LYS 10 2HZ LYS 10 -1.318 2.468 -12.425 85 H TRP 11 H TRP 11 -4.654 3.650 -5.636 86 HA TRP 11 HA TRP 11 -3.220 5.158 -3.596 87 HB2 TRP 11 1HB TRP 11 -6.163 4.857 -4.260 88 HB3 TRP 11 2HB TRP 11 -5.590 5.812 -2.909 89 HD1 TRP 11 HD1 TRP 11 -5.324 5.742 -6.763 90 HE1 TRP 11 HE1 TRP 11 -4.883 8.136 -7.599 91 HE3 TRP 11 HE3 TRP 11 -4.809 8.111 -2.244 92 HZ2 TRP 11 HZ2 TRP 11 -4.391 10.736 -6.461 93 HZ3 TRP 11 HZ3 TRP 11 -4.371 10.558 -2.152 94 HH2 TRP 11 HH2 TRP 11 -4.159 11.877 -4.246 95 H ALA 12 H ALA 12 -5.324 2.271 -3.470 96 HA ALA 12 HA ALA 12 -5.347 2.051 -0.606 97 HB1 ALA 12 3HB ALA 12 -6.210 -0.162 -0.968 98 HB2 ALA 12 1HB ALA 12 -6.916 0.896 -2.205 99 HB3 ALA 12 2HB ALA 12 -5.588 -0.213 -2.626 100 H SER 13 H SER 13 -3.004 0.848 -3.039 101 HA SER 13 HA SER 13 -1.459 -0.734 -1.258 102 HB2 SER 13 1HB SER 13 0.074 -1.013 -2.908 103 HB3 SER 13 2HB SER 13 -1.357 -0.587 -3.853 104 HG SER 13 HG SER 13 0.545 0.531 -4.523 105 H LEU 14 H LEU 14 -1.103 2.718 -2.053 106 HA LEU 14 HA LEU 14 1.141 3.368 -0.459 107 HB2 LEU 14 1HB LEU 14 -1.242 4.842 -1.535 108 HB3 LEU 14 2HB LEU 14 -0.365 5.636 -0.253 109 HG LEU 14 HG LEU 14 1.411 4.538 -2.378 110 HD11 LEU 14 1HD1 LEU 14 0.915 6.351 -3.975 111 HD12 LEU 14 2HD1 LEU 14 -0.508 6.816 -3.010 112 HD13 LEU 14 3HD1 LEU 14 -0.441 5.226 -3.806 113 HD21 LEU 14 3HD2 LEU 14 2.172 6.024 -0.520 114 HD22 LEU 14 1HD2 LEU 14 1.113 7.311 -1.138 115 HD23 LEU 14 2HD2 LEU 14 2.476 6.732 -2.118 116 H TRP 15 H TRP 15 -2.267 3.182 0.579 117 HA TRP 15 HA TRP 15 -1.924 4.082 3.254 118 HB2 TRP 15 1HB TRP 15 -4.085 3.694 1.987 119 HB3 TRP 15 2HB TRP 15 -3.911 1.979 2.325 120 HD1 TRP 15 HD1 TRP 15 -4.321 1.182 4.835 121 HE1 TRP 15 HE1 TRP 15 -5.494 2.274 6.855 122 HE3 TRP 15 HE3 TRP 15 -4.540 6.015 3.144 123 HZ2 TRP 15 HZ2 TRP 15 -6.384 4.897 7.640 124 HZ3 TRP 15 HZ3 TRP 15 -5.559 7.795 4.555 125 HH2 TRP 15 HH2 TRP 15 -6.477 7.250 6.798 126 H ASN 16 H ASN 16 -1.719 0.767 1.949 127 HA ASN 16 HA ASN 16 -0.933 -0.482 4.457 128 HB2 ASN 16 1HB ASN 16 -2.005 -1.774 2.704 129 HB3 ASN 16 2HB ASN 16 -0.749 -1.356 1.537 130 HD21 ASN 16 2HD2 ASN 16 0.996 -2.769 1.359 131 HD22 ASN 16 1HD2 ASN 16 1.314 -4.026 2.547 132 H TRP 17 H TRP 17 0.919 0.714 1.625 133 HA TRP 17 HA TRP 17 3.468 -0.180 2.385 134 HB2 TRP 17 1HB TRP 17 2.723 0.780 0.167 135 HB3 TRP 17 2HB TRP 17 2.902 2.383 0.871 136 HD1 TRP 17 HD1 TRP 17 4.964 -0.790 0.136 137 HE1 TRP 17 HE1 TRP 17 7.397 -0.138 -0.399 138 HE3 TRP 17 HE3 TRP 17 4.675 4.258 1.007 139 HZ2 TRP 17 HZ2 TRP 17 8.996 2.246 -0.456 140 HZ3 TRP 17 HZ3 TRP 17 6.678 5.699 0.684 141 HH2 TRP 17 HH2 TRP 17 8.837 4.707 -0.045 142 H PHE 18 H PHE 18 1.814 2.807 3.404 143 HA PHE 18 HA PHE 18 3.960 4.034 4.808 144 HB2 PHE 18 1HB PHE 18 1.801 5.125 4.324 145 HB3 PHE 18 2HB PHE 18 0.976 4.020 5.419 146 HD1 PHE 18 HD2 PHE 18 3.603 6.692 5.284 147 HD2 PHE 18 HD1 PHE 18 0.847 4.491 7.771 148 HE1 PHE 18 HE2 PHE 18 4.114 8.200 7.191 149 HE2 PHE 18 HE1 PHE 18 1.362 6.001 9.673 150 HZ PHE 18 HZ PHE 18 2.999 7.854 9.389 151 H ASN 19 H ASN 19 1.895 1.319 5.752 152 HA ASN 19 HA ASN 19 2.795 1.240 8.528 153 HB2 ASN 19 1HB ASN 19 0.602 0.272 7.379 154 HB3 ASN 19 2HB ASN 19 1.616 -1.136 7.065 155 HD21 ASN 19 2HD2 ASN 19 -0.637 -0.035 9.177 156 HD22 ASN 19 1HD2 ASN 19 -0.053 -0.832 10.633 157 H ILE 20 H ILE 20 3.582 -0.523 5.519 158 HA ILE 20 HA ILE 20 5.626 -2.219 6.522 159 HB ILE 20 HB ILE 20 5.384 -1.070 3.727 160 HG12 ILE 20 1HG1 ILE 20 3.341 -2.232 4.210 161 HG13 ILE 20 2HG1 ILE 20 4.318 -3.231 3.160 162 HG21 ILE 20 1HG2 ILE 20 6.653 -3.137 3.062 163 HG22 ILE 20 2HG2 ILE 20 7.598 -1.967 3.976 164 HG23 ILE 20 3HG2 ILE 20 6.992 -3.427 4.782 165 HD11 ILE 20 3HD1 ILE 20 3.259 -4.631 4.815 166 HD12 ILE 20 1HD1 ILE 20 4.995 -4.613 5.164 167 HD13 ILE 20 2HD1 ILE 20 3.871 -3.641 6.147 168 H THR 21 H THR 21 6.059 1.088 5.075 169 HA THR 21 HA THR 21 8.893 1.144 5.342 170 HB THR 21 HB THR 21 8.661 3.646 5.404 171 HG1 THR 21 HG1 THR 21 6.600 4.465 5.017 172 HG21 THR 21 3HG2 THR 21 7.780 3.847 3.116 173 HG22 THR 21 1HG2 THR 21 7.133 2.195 3.205 174 HG23 THR 21 2HG2 THR 21 8.887 2.474 3.270 175 H ASN 22 H ASN 22 6.410 2.004 7.746 176 HA ASN 22 HA ASN 22 8.371 2.795 9.760 177 HB2 ASN 22 1HB ASN 22 6.046 3.652 9.716 178 HB3 ASN 22 2HB ASN 22 5.430 2.029 10.051 179 HD21 ASN 22 2HD2 ASN 22 5.249 1.447 12.247 180 HD22 ASN 22 1HD2 ASN 22 6.005 2.386 13.528 181 H TRP 23 H TRP 23 6.583 -0.238 9.077 182 HA TRP 23 HA TRP 23 7.491 -1.699 11.356 183 HB2 TRP 23 1HB TRP 23 5.541 -2.256 9.904 184 HB3 TRP 23 2HB TRP 23 6.652 -2.746 8.633 185 HD1 TRP 23 HD1 TRP 23 6.605 -3.648 12.412 186 HE1 TRP 23 HE1 TRP 23 6.569 -6.206 12.665 187 HE3 TRP 23 HE3 TRP 23 6.439 -4.964 7.456 188 HZ2 TRP 23 HZ2 TRP 23 6.427 -8.511 10.958 189 HZ3 TRP 23 HZ3 TRP 23 6.346 -7.363 6.804 190 HH2 TRP 23 HH2 TRP 23 6.333 -9.140 8.539 191 H LEU 24 H LEU 24 9.016 -1.200 8.208 192 HA LEU 24 HA LEU 24 11.042 -3.096 8.205 193 HB2 LEU 24 1HB LEU 24 10.675 -0.426 7.012 194 HB3 LEU 24 2HB LEU 24 12.340 -0.687 7.461 195 HG LEU 24 HG LEU 24 12.010 -3.032 6.215 196 HD11 LEU 24 1HD1 LEU 24 10.018 -1.196 4.809 197 HD12 LEU 24 2HD1 LEU 24 9.604 -2.669 5.712 198 HD13 LEU 24 3HD1 LEU 24 10.571 -2.781 4.230 199 HD21 LEU 24 3HD2 LEU 24 12.417 -0.369 4.801 200 HD22 LEU 24 1HD2 LEU 24 12.856 -1.968 4.154 201 HD23 LEU 24 2HD2 LEU 24 13.664 -1.353 5.602 202 H TRP 25 H TRP 25 11.009 -0.156 10.200 203 HA TRP 25 HA TRP 25 13.637 -0.353 11.322 204 HB2 TRP 25 1HB TRP 25 11.081 1.050 12.004 205 HB3 TRP 25 2HB TRP 25 12.187 0.790 13.323 206 HD1 TRP 25 HD1 TRP 25 11.898 2.754 10.070 207 HE1 TRP 25 HE1 TRP 25 13.667 4.636 10.087 208 HE3 TRP 25 HE3 TRP 25 14.524 1.365 14.240 209 HZ2 TRP 25 HZ2 TRP 25 15.901 5.443 11.726 210 HZ3 TRP 25 HZ3 TRP 25 16.465 2.713 15.019 211 HH2 TRP 25 HH2 TRP 25 17.158 4.749 13.776 212 H TYR 26 H TYR 26 10.606 -2.001 12.290 213 HA TYR 26 HA TYR 26 11.709 -3.075 14.743 214 HB2 TYR 26 1HB TYR 26 9.179 -2.812 13.727 215 HB3 TYR 26 2HB TYR 26 9.467 -4.507 13.387 216 HD1 TYR 26 HD1 TYR 26 10.428 -5.938 15.425 217 HD2 TYR 26 HD2 TYR 26 8.491 -2.108 15.826 218 HE1 TYR 26 HE1 TYR 26 10.042 -6.395 17.841 219 HE2 TYR 26 HE2 TYR 26 8.071 -2.582 18.254 220 HH TYR 26 HH TYR 26 9.226 -5.589 19.820 221 H ILE 27 H ILE 27 11.401 -4.237 11.416 222 HA ILE 27 HA ILE 27 12.439 -6.901 11.884 223 HB ILE 27 HB ILE 27 12.309 -5.329 9.284 224 HG12 ILE 27 1HG1 ILE 27 10.069 -5.395 10.241 225 HG13 ILE 27 2HG1 ILE 27 10.191 -6.393 8.828 226 HG21 ILE 27 1HG2 ILE 27 13.715 -7.306 9.017 227 HG22 ILE 27 2HG2 ILE 27 12.500 -8.334 9.779 228 HG23 ILE 27 3HG2 ILE 27 12.174 -7.577 8.208 229 HD11 ILE 27 3HD1 ILE 27 10.676 -8.102 11.123 230 HD12 ILE 27 1HD1 ILE 27 9.257 -7.101 11.445 231 HD13 ILE 27 2HD1 ILE 27 9.317 -8.115 9.990 232 H LYS 28 H LYS 28 13.925 -3.933 10.637 233 HA LYS 28 HA LYS 28 16.684 -5.068 11.002 234 HB2 LYS 28 1HB LYS 28 15.596 -3.269 8.806 235 HB3 LYS 28 2HB LYS 28 17.314 -3.575 9.045 236 HG2 LYS 28 1HG LYS 28 15.302 -5.806 8.574 237 HG3 LYS 28 2HG LYS 28 16.087 -4.966 7.258 238 HD2 LYS 28 1HD LYS 28 17.854 -6.143 9.412 239 HD3 LYS 28 2HD LYS 28 17.061 -7.239 8.273 240 HE2 LYS 28 1HE LYS 28 17.997 -6.009 6.363 241 HE3 LYS 28 2HE LYS 28 18.775 -4.853 7.451 242 HZ1 LYS 28 3HZ LYS 28 19.372 -7.766 7.380 243 HZ2 LYS 28 1HZ LYS 28 20.129 -6.667 8.324 244 HZ3 LYS 28 2HZ LYS 28 20.302 -6.611 6.703 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 -12.922 -10.280 -12.082 2 H2 ASN 1 2H ASN 1 -11.833 -11.114 -12.981 3 H3 ASN 1 3H ASN 1 -11.323 -10.167 -11.750 4 HA ASN 1 HA ASN 1 -10.880 -9.081 -13.836 5 HB2 ASN 1 1HB ASN 1 -12.726 -10.204 -15.087 6 HB3 ASN 1 2HB ASN 1 -13.900 -9.172 -14.263 7 HD21 ASN 1 2HD2 ASN 1 -13.991 -9.020 -16.979 8 HD22 ASN 1 1HD2 ASN 1 -13.189 -7.556 -17.524 9 H GLU 2 H GLU 2 -10.080 -7.543 -12.478 10 HA GLU 2 HA GLU 2 -11.986 -5.508 -11.411 11 HB2 GLU 2 1HB GLU 2 -10.839 -7.369 -9.851 12 HB3 GLU 2 2HB GLU 2 -9.515 -6.214 -9.844 13 HG2 GLU 2 1HG GLU 2 -10.776 -4.623 -8.666 14 HG3 GLU 2 2HG GLU 2 -12.318 -5.216 -9.292 15 H GLN 3 H GLN 3 -10.105 -5.735 -13.804 16 HA GLN 3 HA GLN 3 -7.898 -4.033 -13.662 17 HB2 GLN 3 1HB GLN 3 -8.009 -3.974 -16.075 18 HB3 GLN 3 2HB GLN 3 -8.445 -5.580 -15.494 19 HG2 GLN 3 1HG GLN 3 -10.915 -4.842 -15.755 20 HG3 GLN 3 2HG GLN 3 -10.297 -3.413 -16.576 21 HE21 GLN 3 2HE2 GLN 3 -11.335 -3.951 -18.592 22 HE22 GLN 3 1HE2 GLN 3 -10.768 -5.325 -19.535 23 H GLU 4 H GLU 4 -11.308 -3.061 -14.066 24 HA GLU 4 HA GLU 4 -10.697 -0.278 -14.611 25 HB2 GLU 4 1HB GLU 4 -12.883 -1.664 -15.101 26 HB3 GLU 4 2HB GLU 4 -13.300 -1.288 -13.431 27 HG2 GLU 4 1HG GLU 4 -12.572 1.198 -14.262 28 HG3 GLU 4 2HG GLU 4 -12.963 0.498 -15.826 29 H LEU 5 H LEU 5 -11.837 -2.024 -11.684 30 HA LEU 5 HA LEU 5 -11.733 0.138 -9.826 31 HB2 LEU 5 1HB LEU 5 -11.836 -2.858 -9.698 32 HB3 LEU 5 2HB LEU 5 -11.193 -2.060 -8.288 33 HG LEU 5 HG LEU 5 -13.488 -0.561 -8.720 34 HD11 LEU 5 1HD1 LEU 5 -15.315 -2.163 -9.037 35 HD12 LEU 5 2HD1 LEU 5 -14.157 -3.483 -9.294 36 HD13 LEU 5 3HD1 LEU 5 -14.271 -2.150 -10.469 37 HD21 LEU 5 3HD2 LEU 5 -12.680 -1.419 -6.570 38 HD22 LEU 5 1HD2 LEU 5 -13.167 -3.069 -7.023 39 HD23 LEU 5 2HD2 LEU 5 -14.393 -1.799 -6.796 40 H LEU 6 H LEU 6 -9.144 -1.832 -11.086 41 HA LEU 6 HA LEU 6 -7.133 -1.415 -9.219 42 HB2 LEU 6 1HB LEU 6 -7.218 -2.760 -11.424 43 HB3 LEU 6 2HB LEU 6 -6.569 -1.322 -12.199 44 HG LEU 6 HG LEU 6 -5.194 -2.456 -9.740 45 HD11 LEU 6 1HD1 LEU 6 -3.870 -3.972 -11.164 46 HD12 LEU 6 2HD1 LEU 6 -4.893 -3.561 -12.561 47 HD13 LEU 6 3HD1 LEU 6 -5.583 -4.416 -11.163 48 HD21 LEU 6 3HD2 LEU 6 -3.997 -1.309 -12.302 49 HD22 LEU 6 1HD2 LEU 6 -3.167 -1.652 -10.765 50 HD23 LEU 6 2HD2 LEU 6 -4.339 -0.338 -10.867 51 H GLU 7 H GLU 7 -8.506 0.966 -11.385 52 HA GLU 7 HA GLU 7 -6.558 3.012 -11.331 53 HB2 GLU 7 1HB GLU 7 -8.265 4.472 -12.021 54 HB3 GLU 7 2HB GLU 7 -8.694 2.897 -12.686 55 HG2 GLU 7 1HG GLU 7 -10.250 2.643 -10.623 56 HG3 GLU 7 2HG GLU 7 -9.943 4.346 -10.314 57 H LEU 8 H LEU 8 -8.882 2.084 -8.835 58 HA LEU 8 HA LEU 8 -8.064 4.296 -7.044 59 HB2 LEU 8 1HB LEU 8 -10.531 3.210 -7.502 60 HB3 LEU 8 2HB LEU 8 -9.993 2.176 -6.186 61 HG LEU 8 HG LEU 8 -9.310 4.560 -5.089 62 HD11 LEU 8 1HD1 LEU 8 -10.909 6.312 -5.689 63 HD12 LEU 8 2HD1 LEU 8 -11.669 5.256 -6.899 64 HD13 LEU 8 3HD1 LEU 8 -10.007 5.833 -7.139 65 HD21 LEU 8 3HD2 LEU 8 -10.853 2.984 -4.066 66 HD22 LEU 8 1HD2 LEU 8 -12.144 3.462 -5.192 67 HD23 LEU 8 2HD2 LEU 8 -11.521 4.623 -3.992 68 H ASP 9 H ASP 9 -7.720 0.810 -7.414 69 HA ASP 9 HA ASP 9 -6.695 0.099 -4.876 70 HB2 ASP 9 1HB ASP 9 -7.375 -1.427 -6.787 71 HB3 ASP 9 2HB ASP 9 -5.809 -1.071 -7.528 72 H LYS 10 H LYS 10 -5.091 1.717 -7.532 73 HA LYS 10 HA LYS 10 -2.357 1.543 -6.791 74 HB2 LYS 10 1HB LYS 10 -3.988 3.108 -8.602 75 HB3 LYS 10 2HB LYS 10 -2.992 4.232 -7.709 76 HG2 LYS 10 1HG LYS 10 -1.874 3.603 -9.737 77 HG3 LYS 10 2HG LYS 10 -0.946 2.956 -8.380 78 HD2 LYS 10 1HD LYS 10 -1.501 0.725 -8.895 79 HD3 LYS 10 2HD LYS 10 -3.033 1.183 -9.635 80 HE2 LYS 10 1HE LYS 10 -1.694 0.436 -11.421 81 HE3 LYS 10 2HE LYS 10 -1.787 2.191 -11.564 82 HZ1 LYS 10 3HZ LYS 10 0.445 2.303 -10.543 83 HZ2 LYS 10 1HZ LYS 10 0.474 1.404 -11.903 84 HZ3 LYS 10 2HZ LYS 10 0.515 0.670 -10.449 85 H TRP 11 H TRP 11 -4.791 3.821 -5.633 86 HA TRP 11 HA TRP 11 -3.071 5.226 -3.770 87 HB2 TRP 11 1HB TRP 11 -5.826 5.382 -4.641 88 HB3 TRP 11 2HB TRP 11 -5.798 5.351 -2.893 89 HD1 TRP 11 HD1 TRP 11 -3.875 7.170 -1.817 90 HE1 TRP 11 HE1 TRP 11 -3.581 9.656 -2.436 91 HE3 TRP 11 HE3 TRP 11 -6.119 7.146 -6.432 92 HZ2 TRP 11 HZ2 TRP 11 -4.225 11.391 -4.632 93 HZ3 TRP 11 HZ3 TRP 11 -6.266 9.242 -7.763 94 HH2 TRP 11 HH2 TRP 11 -5.324 11.363 -6.878 95 H ALA 12 H ALA 12 -5.219 2.399 -3.396 96 HA ALA 12 HA ALA 12 -4.832 2.092 -0.560 97 HB1 ALA 12 3HB ALA 12 -6.702 1.083 -1.838 98 HB2 ALA 12 1HB ALA 12 -5.555 -0.016 -2.637 99 HB3 ALA 12 2HB ALA 12 -5.807 -0.114 -0.886 100 H SER 13 H SER 13 -2.954 0.897 -3.337 101 HA SER 13 HA SER 13 -1.175 -0.857 -2.043 102 HB2 SER 13 1HB SER 13 -1.325 -0.428 -4.508 103 HB3 SER 13 2HB SER 13 -0.434 1.086 -4.261 104 HG SER 13 HG SER 13 0.946 -0.667 -4.830 105 H LEU 14 H LEU 14 -0.860 2.687 -2.368 106 HA LEU 14 HA LEU 14 1.578 3.014 -0.894 107 HB2 LEU 14 1HB LEU 14 -0.761 4.809 -1.586 108 HB3 LEU 14 2HB LEU 14 0.510 5.398 -0.529 109 HG LEU 14 HG LEU 14 1.309 4.131 -3.160 110 HD11 LEU 14 1HD1 LEU 14 -0.438 5.707 -3.807 111 HD12 LEU 14 2HD1 LEU 14 1.153 6.336 -4.259 112 HD13 LEU 14 3HD1 LEU 14 0.315 6.990 -2.831 113 HD21 LEU 14 3HD2 LEU 14 3.166 5.722 -2.975 114 HD22 LEU 14 1HD2 LEU 14 3.027 4.805 -1.467 115 HD23 LEU 14 2HD2 LEU 14 2.424 6.474 -1.548 116 H TRP 15 H TRP 15 -1.819 3.041 0.226 117 HA TRP 15 HA TRP 15 -1.331 3.597 2.982 118 HB2 TRP 15 1HB TRP 15 -3.555 3.640 1.900 119 HB3 TRP 15 2HB TRP 15 -3.530 1.893 1.752 120 HD1 TRP 15 HD1 TRP 15 -3.877 0.435 3.939 121 HE1 TRP 15 HE1 TRP 15 -4.934 0.965 6.233 122 HE3 TRP 15 HE3 TRP 15 -3.892 5.551 3.673 123 HZ2 TRP 15 HZ2 TRP 15 -5.665 3.295 7.750 124 HZ3 TRP 15 HZ3 TRP 15 -4.795 6.906 5.558 125 HH2 TRP 15 HH2 TRP 15 -5.675 5.792 7.596 126 H ASN 16 H ASN 16 -1.507 0.416 1.318 127 HA ASN 16 HA ASN 16 -0.859 -1.140 3.657 128 HB2 ASN 16 1HB ASN 16 -0.479 -1.781 0.697 129 HB3 ASN 16 2HB ASN 16 -0.307 -2.943 2.008 130 HD21 ASN 16 2HD2 ASN 16 -2.507 -2.563 3.649 131 HD22 ASN 16 1HD2 ASN 16 -3.944 -2.812 2.668 132 H TRP 17 H TRP 17 1.288 0.126 1.057 133 HA TRP 17 HA TRP 17 3.719 -0.948 2.049 134 HB2 TRP 17 1HB TRP 17 3.534 0.041 -0.162 135 HB3 TRP 17 2HB TRP 17 3.201 1.625 0.528 136 HD1 TRP 17 HD1 TRP 17 6.079 -0.978 0.839 137 HE1 TRP 17 HE1 TRP 17 8.331 0.253 0.796 138 HE3 TRP 17 HE3 TRP 17 4.369 3.848 0.552 139 HZ2 TRP 17 HZ2 TRP 17 9.273 2.962 0.686 140 HZ3 TRP 17 HZ3 TRP 17 5.982 5.742 0.498 141 HH2 TRP 17 HH2 TRP 17 8.428 5.313 0.563 142 H PHE 18 H PHE 18 2.127 2.127 2.954 143 HA PHE 18 HA PHE 18 4.097 3.270 4.528 144 HB2 PHE 18 1HB PHE 18 1.724 4.082 3.847 145 HB3 PHE 18 2HB PHE 18 1.181 3.335 5.339 146 HD1 PHE 18 HD1 PHE 18 3.331 5.951 3.823 147 HD2 PHE 18 HD2 PHE 18 1.673 4.417 7.499 148 HE1 PHE 18 HE1 PHE 18 4.007 8.034 4.995 149 HE2 PHE 18 HE2 PHE 18 2.352 6.504 8.669 150 HZ PHE 18 HZ PHE 18 3.518 8.313 7.419 151 H ASN 19 H ASN 19 1.949 0.638 5.491 152 HA ASN 19 HA ASN 19 2.638 0.551 8.296 153 HB2 ASN 19 1HB ASN 19 1.720 -1.718 6.472 154 HB3 ASN 19 2HB ASN 19 1.691 -1.715 8.234 155 HD21 ASN 19 2HD2 ASN 19 -0.523 -1.995 6.210 156 HD22 ASN 19 1HD2 ASN 19 -1.663 -0.737 6.695 157 H ILE 20 H ILE 20 3.993 -1.087 5.430 158 HA ILE 20 HA ILE 20 6.002 -2.628 6.821 159 HB ILE 20 HB ILE 20 5.975 -1.728 3.925 160 HG12 ILE 20 1HG1 ILE 20 3.950 -2.983 4.327 161 HG13 ILE 20 2HG1 ILE 20 5.085 -3.958 3.418 162 HG21 ILE 20 1HG2 ILE 20 8.197 -2.438 4.509 163 HG22 ILE 20 2HG2 ILE 20 7.588 -3.870 5.361 164 HG23 ILE 20 3HG2 ILE 20 7.440 -3.743 3.594 165 HD11 ILE 20 3HD1 ILE 20 5.671 -5.223 5.497 166 HD12 ILE 20 1HD1 ILE 20 4.465 -4.262 6.388 167 HD13 ILE 20 2HD1 ILE 20 3.955 -5.331 5.074 168 H THR 21 H THR 21 6.090 0.636 5.251 169 HA THR 21 HA THR 21 8.807 1.177 5.699 170 HB THR 21 HB THR 21 6.940 3.466 6.175 171 HG1 THR 21 HG1 THR 21 6.539 3.536 3.905 172 HG21 THR 21 3HG2 THR 21 9.154 3.015 4.127 173 HG22 THR 21 1HG2 THR 21 9.438 3.671 5.759 174 HG23 THR 21 2HG2 THR 21 8.433 4.568 4.605 175 H ASN 22 H ASN 22 6.099 1.477 7.977 176 HA ASN 22 HA ASN 22 7.736 2.565 10.159 177 HB2 ASN 22 1HB ASN 22 4.871 1.667 9.828 178 HB3 ASN 22 2HB ASN 22 5.568 1.669 11.444 179 HD21 ASN 22 2HD2 ASN 22 5.647 3.921 8.596 180 HD22 ASN 22 1HD2 ASN 22 5.369 5.335 9.608 181 H TRP 23 H TRP 23 6.476 -0.716 9.352 182 HA TRP 23 HA TRP 23 7.562 -2.025 11.630 183 HB2 TRP 23 1HB TRP 23 5.860 -2.939 10.023 184 HB3 TRP 23 2HB TRP 23 7.156 -3.213 8.868 185 HD1 TRP 23 HD1 TRP 23 7.056 -4.055 12.662 186 HE1 TRP 23 HE1 TRP 23 7.445 -6.567 12.987 187 HE3 TRP 23 HE3 TRP 23 7.436 -5.477 7.743 188 HZ2 TRP 23 HZ2 TRP 23 7.791 -8.897 11.353 189 HZ3 TRP 23 HZ3 TRP 23 7.827 -7.866 7.168 190 HH2 TRP 23 HH2 TRP 23 7.995 -9.581 8.957 191 H LEU 24 H LEU 24 9.143 -1.156 8.601 192 HA LEU 24 HA LEU 24 11.468 -2.634 8.664 193 HB2 LEU 24 1HB LEU 24 10.567 -0.383 7.259 194 HB3 LEU 24 2HB LEU 24 11.946 0.251 8.116 195 HG LEU 24 HG LEU 24 12.969 -2.153 7.131 196 HD11 LEU 24 1HD1 LEU 24 11.145 -0.971 4.990 197 HD12 LEU 24 2HD1 LEU 24 10.859 -2.508 5.830 198 HD13 LEU 24 3HD1 LEU 24 12.284 -2.319 4.788 199 HD21 LEU 24 3HD2 LEU 24 14.100 0.014 7.021 200 HD22 LEU 24 1HD2 LEU 24 12.990 0.550 5.737 201 HD23 LEU 24 2HD2 LEU 24 14.117 -0.797 5.447 202 H TRP 25 H TRP 25 10.831 0.259 10.613 203 HA TRP 25 HA TRP 25 13.354 0.548 11.914 204 HB2 TRP 25 1HB TRP 25 10.561 1.290 12.835 205 HB3 TRP 25 2HB TRP 25 12.042 1.784 13.627 206 HD1 TRP 25 HD1 TRP 25 10.038 2.424 10.444 207 HE1 TRP 25 HE1 TRP 25 10.787 4.647 9.392 208 HE3 TRP 25 HE3 TRP 25 14.058 3.421 13.452 209 HZ2 TRP 25 HZ2 TRP 25 12.840 6.620 9.827 210 HZ3 TRP 25 HZ3 TRP 25 15.394 5.495 13.116 211 HH2 TRP 25 HH2 TRP 25 14.795 7.096 11.313 212 H TYR 26 H TYR 26 10.626 -1.615 12.646 213 HA TYR 26 HA TYR 26 11.606 -2.419 15.253 214 HB2 TYR 26 1HB TYR 26 9.184 -2.540 14.063 215 HB3 TYR 26 2HB TYR 26 9.748 -4.154 13.658 216 HD1 TYR 26 HD2 TYR 26 10.275 -5.782 15.515 217 HD2 TYR 26 HD1 TYR 26 8.740 -1.833 16.296 218 HE1 TYR 26 HE2 TYR 26 9.770 -6.444 17.876 219 HE2 TYR 26 HE1 TYR 26 8.226 -2.493 18.656 220 HH TYR 26 HH TYR 26 8.380 -4.138 20.237 221 H ILE 27 H ILE 27 11.984 -3.586 11.942 222 HA ILE 27 HA ILE 27 13.312 -6.083 12.638 223 HB ILE 27 HB ILE 27 13.249 -4.578 9.994 224 HG12 ILE 27 1HG1 ILE 27 10.977 -5.070 10.545 225 HG13 ILE 27 2HG1 ILE 27 11.515 -6.178 9.313 226 HG21 ILE 27 1HG2 ILE 27 14.464 -7.185 10.798 227 HG22 ILE 27 2HG2 ILE 27 13.545 -7.197 9.290 228 HG23 ILE 27 3HG2 ILE 27 14.883 -6.063 9.486 229 HD11 ILE 27 3HD1 ILE 27 10.291 -7.535 10.776 230 HD12 ILE 27 1HD1 ILE 27 11.947 -7.846 11.310 231 HD13 ILE 27 2HD1 ILE 27 10.904 -6.725 12.227 232 H LYS 28 H LYS 28 14.487 -2.991 11.335 233 HA LYS 28 HA LYS 28 17.318 -3.671 11.505 234 HB2 LYS 28 1HB LYS 28 17.753 -1.538 10.618 235 HB3 LYS 28 2HB LYS 28 16.356 -2.205 9.795 236 HG2 LYS 28 1HG LYS 28 15.431 -0.162 10.155 237 HG3 LYS 28 2HG LYS 28 15.074 -0.819 11.752 238 HD2 LYS 28 1HD LYS 28 16.020 1.271 12.185 239 HD3 LYS 28 2HD LYS 28 17.332 0.109 12.503 240 HE2 LYS 28 1HE LYS 28 18.378 0.606 10.369 241 HE3 LYS 28 2HE LYS 28 16.972 1.526 9.823 242 HZ1 LYS 28 3HZ LYS 28 18.783 2.974 10.578 243 HZ2 LYS 28 1HZ LYS 28 18.720 2.341 12.082 244 HZ3 LYS 28 2HZ LYS 28 17.454 3.197 11.496 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 -11.608 -10.119 -13.322 2 H2 ASN 1 2H ASN 1 -11.141 -10.277 -11.758 3 H3 ASN 1 3H ASN 1 -12.500 -9.444 -12.129 4 HA ASN 1 HA ASN 1 -10.651 -7.967 -11.551 5 HB2 ASN 1 1HB ASN 1 -9.423 -9.200 -14.063 6 HB3 ASN 1 2HB ASN 1 -8.862 -7.700 -13.329 7 HD21 ASN 1 2HD2 ASN 1 -7.858 -7.789 -11.121 8 HD22 ASN 1 1HD2 ASN 1 -7.267 -9.343 -10.566 9 H GLU 2 H GLU 2 -11.423 -5.987 -11.912 10 HA GLU 2 HA GLU 2 -12.560 -5.255 -14.573 11 HB2 GLU 2 1HB GLU 2 -13.842 -4.894 -11.832 12 HB3 GLU 2 2HB GLU 2 -14.341 -4.005 -13.275 13 HG2 GLU 2 1HG GLU 2 -14.875 -6.118 -14.430 14 HG3 GLU 2 2HG GLU 2 -14.413 -7.038 -12.995 15 H GLN 3 H GLN 3 -12.202 -3.179 -15.183 16 HA GLN 3 HA GLN 3 -9.988 -1.746 -14.223 17 HB2 GLN 3 1HB GLN 3 -12.354 -0.811 -15.877 18 HB3 GLN 3 2HB GLN 3 -10.867 0.113 -15.679 19 HG2 GLN 3 1HG GLN 3 -10.632 -2.729 -16.711 20 HG3 GLN 3 2HG GLN 3 -11.290 -1.496 -17.772 21 HE21 GLN 3 2HE2 GLN 3 -9.738 -0.639 -19.121 22 HE22 GLN 3 1HE2 GLN 3 -8.057 -0.413 -18.649 23 H GLU 4 H GLU 4 -13.312 -1.541 -13.171 24 HA GLU 4 HA GLU 4 -13.360 0.920 -11.733 25 HB2 GLU 4 1HB GLU 4 -14.762 -1.753 -11.493 26 HB3 GLU 4 2HB GLU 4 -15.030 -0.533 -10.264 27 HG2 GLU 4 1HG GLU 4 -15.350 0.301 -13.147 28 HG3 GLU 4 2HG GLU 4 -16.570 -0.755 -12.450 29 H LEU 5 H LEU 5 -12.033 -2.256 -10.799 30 HA LEU 5 HA LEU 5 -11.363 -1.337 -8.074 31 HB2 LEU 5 1HB LEU 5 -11.656 -3.922 -9.375 32 HB3 LEU 5 2HB LEU 5 -10.013 -3.775 -8.774 33 HG LEU 5 HG LEU 5 -11.080 -2.961 -6.545 34 HD11 LEU 5 1HD1 LEU 5 -13.353 -3.777 -6.108 35 HD12 LEU 5 2HD1 LEU 5 -13.493 -4.352 -7.786 36 HD13 LEU 5 3HD1 LEU 5 -13.369 -2.613 -7.444 37 HD21 LEU 5 3HD2 LEU 5 -10.420 -4.965 -5.872 38 HD22 LEU 5 1HD2 LEU 5 -10.482 -5.597 -7.522 39 HD23 LEU 5 2HD2 LEU 5 -11.906 -5.709 -6.479 40 H LEU 6 H LEU 6 -9.720 -1.770 -11.176 41 HA LEU 6 HA LEU 6 -7.032 -1.520 -10.277 42 HB2 LEU 6 1HB LEU 6 -8.410 -0.989 -12.910 43 HB3 LEU 6 2HB LEU 6 -6.777 -0.439 -12.701 44 HG LEU 6 HG LEU 6 -6.808 -2.526 -13.861 45 HD11 LEU 6 1HD1 LEU 6 -5.131 -3.722 -12.634 46 HD12 LEU 6 2HD1 LEU 6 -5.627 -2.990 -11.099 47 HD13 LEU 6 3HD1 LEU 6 -4.887 -1.989 -12.371 48 HD21 LEU 6 3HD2 LEU 6 -8.024 -3.796 -11.382 49 HD22 LEU 6 1HD2 LEU 6 -7.405 -4.653 -12.811 50 HD23 LEU 6 2HD2 LEU 6 -8.799 -3.581 -12.971 51 H GLU 7 H GLU 7 -9.454 0.948 -10.526 52 HA GLU 7 HA GLU 7 -7.766 3.289 -10.504 53 HB2 GLU 7 1HB GLU 7 -10.559 2.795 -9.393 54 HB3 GLU 7 2HB GLU 7 -9.811 4.383 -9.496 55 HG2 GLU 7 1HG GLU 7 -10.267 2.618 -11.938 56 HG3 GLU 7 2HG GLU 7 -11.463 3.749 -11.335 57 H LEU 8 H LEU 8 -9.230 1.389 -7.849 58 HA LEU 8 HA LEU 8 -7.881 2.885 -5.726 59 HB2 LEU 8 1HB LEU 8 -10.128 1.919 -5.433 60 HB3 LEU 8 2HB LEU 8 -9.489 0.299 -5.722 61 HG LEU 8 HG LEU 8 -8.126 0.466 -3.641 62 HD11 LEU 8 1HD1 LEU 8 -7.829 2.902 -3.489 63 HD12 LEU 8 2HD1 LEU 8 -8.567 2.266 -2.023 64 HD13 LEU 8 3HD1 LEU 8 -9.576 3.113 -3.220 65 HD21 LEU 8 3HD2 LEU 8 -9.935 -0.622 -2.910 66 HD22 LEU 8 1HD2 LEU 8 -11.067 0.431 -3.775 67 HD23 LEU 8 2HD2 LEU 8 -10.457 0.903 -2.182 68 H ASP 9 H ASP 9 -7.291 -0.126 -7.497 69 HA ASP 9 HA ASP 9 -5.359 -1.324 -5.870 70 HB2 ASP 9 1HB ASP 9 -6.416 -2.257 -7.959 71 HB3 ASP 9 2HB ASP 9 -5.301 -1.260 -8.900 72 H LYS 10 H LYS 10 -4.927 1.496 -7.912 73 HA LYS 10 HA LYS 10 -2.029 1.609 -7.894 74 HB2 LYS 10 1HB LYS 10 -4.270 3.489 -8.564 75 HB3 LYS 10 2HB LYS 10 -2.810 4.257 -7.964 76 HG2 LYS 10 1HG LYS 10 -2.512 4.196 -10.295 77 HG3 LYS 10 2HG LYS 10 -1.452 2.967 -9.632 78 HD2 LYS 10 1HD LYS 10 -2.316 1.669 -11.275 79 HD3 LYS 10 2HD LYS 10 -3.661 1.420 -10.160 80 HE2 LYS 10 1HE LYS 10 -4.834 3.384 -11.216 81 HE3 LYS 10 2HE LYS 10 -3.480 3.546 -12.348 82 HZ1 LYS 10 3HZ LYS 10 -3.980 1.256 -13.102 83 HZ2 LYS 10 1HZ LYS 10 -5.247 2.258 -13.352 84 HZ3 LYS 10 2HZ LYS 10 -5.276 1.212 -12.085 85 H TRP 11 H TRP 11 -4.439 3.074 -5.739 86 HA TRP 11 HA TRP 11 -2.513 4.178 -3.887 87 HB2 TRP 11 1HB TRP 11 -5.438 3.453 -3.492 88 HB3 TRP 11 2HB TRP 11 -4.450 4.299 -2.312 89 HD1 TRP 11 HD1 TRP 11 -6.952 5.120 -4.671 90 HE1 TRP 11 HE1 TRP 11 -6.814 7.561 -5.482 91 HE3 TRP 11 HE3 TRP 11 -2.192 6.249 -3.109 92 HZ2 TRP 11 HZ2 TRP 11 -4.880 9.691 -5.508 93 HZ3 TRP 11 HZ3 TRP 11 -1.222 8.484 -3.569 94 HH2 TRP 11 HH2 TRP 11 -2.548 10.210 -4.765 95 H ALA 12 H ALA 12 -3.962 0.940 -4.098 96 HA ALA 12 HA ALA 12 -3.336 -0.024 -1.546 97 HB1 ALA 12 3HB ALA 12 -3.450 -2.225 -2.467 98 HB2 ALA 12 1HB ALA 12 -4.622 -1.223 -3.346 99 HB3 ALA 12 2HB ALA 12 -3.062 -1.651 -4.093 100 H SER 13 H SER 13 -1.104 0.332 -4.311 101 HA SER 13 HA SER 13 1.207 -0.887 -3.251 102 HB2 SER 13 1HB SER 13 1.061 1.587 -5.019 103 HB3 SER 13 2HB SER 13 2.454 0.508 -4.823 104 HG SER 13 HG SER 13 1.121 0.082 -6.711 105 H LEU 14 H LEU 14 0.134 2.521 -2.903 106 HA LEU 14 HA LEU 14 2.320 3.281 -1.127 107 HB2 LEU 14 1HB LEU 14 -0.278 4.604 -1.991 108 HB3 LEU 14 2HB LEU 14 0.624 5.206 -0.615 109 HG LEU 14 HG LEU 14 2.652 4.948 -2.504 110 HD11 LEU 14 1HD1 LEU 14 1.916 5.977 -4.547 111 HD12 LEU 14 2HD1 LEU 14 0.256 6.153 -3.942 112 HD13 LEU 14 3HD1 LEU 14 0.917 4.537 -4.286 113 HD21 LEU 14 3HD2 LEU 14 2.561 7.408 -2.616 114 HD22 LEU 14 1HD2 LEU 14 2.352 6.815 -0.962 115 HD23 LEU 14 2HD2 LEU 14 0.940 7.384 -1.879 116 H TRP 15 H TRP 15 -1.093 2.327 -0.531 117 HA TRP 15 HA TRP 15 -1.133 2.615 2.283 118 HB2 TRP 15 1HB TRP 15 -2.570 0.800 0.362 119 HB3 TRP 15 2HB TRP 15 -2.725 0.526 2.084 120 HD1 TRP 15 HD1 TRP 15 -4.154 2.628 -0.615 121 HE1 TRP 15 HE1 TRP 15 -5.813 4.346 0.349 122 HE3 TRP 15 HE3 TRP 15 -3.074 2.074 4.344 123 HZ2 TRP 15 HZ2 TRP 15 -6.605 5.305 2.946 124 HZ3 TRP 15 HZ3 TRP 15 -4.329 3.375 6.061 125 HH2 TRP 15 HH2 TRP 15 -6.089 4.988 5.374 126 H ASN 16 H ASN 16 -0.016 -0.244 0.429 127 HA ASN 16 HA ASN 16 0.859 -1.722 2.746 128 HB2 ASN 16 1HB ASN 16 1.362 -1.877 -0.235 129 HB3 ASN 16 2HB ASN 16 2.416 -2.768 0.858 130 HD21 ASN 16 2HD2 ASN 16 1.794 -4.876 1.081 131 HD22 ASN 16 1HD2 ASN 16 0.110 -5.384 1.131 132 H TRP 17 H TRP 17 2.640 0.557 0.587 133 HA TRP 17 HA TRP 17 5.165 0.294 1.832 134 HB2 TRP 17 1HB TRP 17 4.625 1.475 -0.329 135 HB3 TRP 17 2HB TRP 17 4.073 2.849 0.624 136 HD1 TRP 17 HD1 TRP 17 7.235 0.744 0.006 137 HE1 TRP 17 HE1 TRP 17 9.330 2.200 0.374 138 HE3 TRP 17 HE3 TRP 17 4.973 5.032 1.682 139 HZ2 TRP 17 HZ2 TRP 17 9.939 4.868 1.246 140 HZ3 TRP 17 HZ3 TRP 17 6.346 7.024 2.267 141 HH2 TRP 17 HH2 TRP 17 8.820 6.956 2.048 142 H PHE 18 H PHE 18 2.489 2.499 2.767 143 HA PHE 18 HA PHE 18 3.807 3.813 4.926 144 HB2 PHE 18 1HB PHE 18 0.887 3.131 4.436 145 HB3 PHE 18 2HB PHE 18 1.409 3.974 5.879 146 HD1 PHE 18 HD2 PHE 18 2.961 6.090 5.519 147 HD2 PHE 18 HD1 PHE 18 0.192 4.503 2.622 148 HE1 PHE 18 HE2 PHE 18 2.847 8.308 4.407 149 HE2 PHE 18 HE1 PHE 18 0.101 6.708 1.494 150 HZ PHE 18 HZ PHE 18 1.426 8.618 2.386 151 H ASN 19 H ASN 19 2.491 0.550 4.805 152 HA ASN 19 HA ASN 19 2.631 0.167 7.732 153 HB2 ASN 19 1HB ASN 19 2.022 -1.685 5.393 154 HB3 ASN 19 2HB ASN 19 2.388 -2.304 6.995 155 HD21 ASN 19 2HD2 ASN 19 0.191 0.203 5.479 156 HD22 ASN 19 1HD2 ASN 19 -1.095 -0.174 6.620 157 H ILE 20 H ILE 20 4.596 -0.780 4.875 158 HA ILE 20 HA ILE 20 6.687 -2.072 6.313 159 HB ILE 20 HB ILE 20 6.894 -0.597 3.671 160 HG12 ILE 20 1HG1 ILE 20 5.227 -2.299 3.411 161 HG13 ILE 20 2HG1 ILE 20 6.697 -2.855 2.654 162 HG21 ILE 20 1HG2 ILE 20 9.125 -0.954 4.531 163 HG22 ILE 20 2HG2 ILE 20 8.751 -2.629 4.979 164 HG23 ILE 20 3HG2 ILE 20 8.834 -2.147 3.271 165 HD11 ILE 20 3HD1 ILE 20 5.650 -4.701 3.800 166 HD12 ILE 20 1HD1 ILE 20 7.140 -4.310 4.672 167 HD13 ILE 20 2HD1 ILE 20 5.560 -3.800 5.319 168 H THR 21 H THR 21 6.505 1.443 5.384 169 HA THR 21 HA THR 21 9.047 2.141 6.486 170 HB THR 21 HB THR 21 8.043 4.451 6.804 171 HG1 THR 21 HG1 THR 21 6.055 4.771 5.775 172 HG21 THR 21 3HG2 THR 21 7.924 4.932 4.418 173 HG22 THR 21 1HG2 THR 21 7.783 3.198 4.045 174 HG23 THR 21 2HG2 THR 21 9.273 3.846 4.776 175 H ASN 22 H ASN 22 5.892 1.872 8.125 176 HA ASN 22 HA ASN 22 7.032 2.762 10.661 177 HB2 ASN 22 1HB ASN 22 4.582 2.966 9.851 178 HB3 ASN 22 2HB ASN 22 4.410 1.274 10.332 179 HD21 ASN 22 2HD2 ASN 22 3.019 1.627 12.153 180 HD22 ASN 22 1HD2 ASN 22 3.537 2.618 13.513 181 H TRP 23 H TRP 23 6.428 -0.407 9.157 182 HA TRP 23 HA TRP 23 7.100 -2.009 11.435 183 HB2 TRP 23 1HB TRP 23 5.864 -2.675 9.294 184 HB3 TRP 23 2HB TRP 23 7.440 -2.806 8.530 185 HD1 TRP 23 HD1 TRP 23 6.298 -4.070 12.024 186 HE1 TRP 23 HE1 TRP 23 6.573 -6.617 12.145 187 HE3 TRP 23 HE3 TRP 23 7.986 -4.952 7.254 188 HZ2 TRP 23 HZ2 TRP 23 7.294 -8.765 10.392 189 HZ3 TRP 23 HZ3 TRP 23 8.476 -7.281 6.525 190 HH2 TRP 23 HH2 TRP 23 8.116 -9.188 8.068 191 H LEU 24 H LEU 24 9.149 -0.394 9.081 192 HA LEU 24 HA LEU 24 11.579 -1.726 9.423 193 HB2 LEU 24 1HB LEU 24 10.764 0.938 8.546 194 HB3 LEU 24 2HB LEU 24 12.194 1.063 9.552 195 HG LEU 24 HG LEU 24 13.280 -0.733 8.099 196 HD11 LEU 24 1HD1 LEU 24 11.300 -1.679 7.010 197 HD12 LEU 24 2HD1 LEU 24 12.327 -0.923 5.780 198 HD13 LEU 24 3HD1 LEU 24 10.864 -0.091 6.345 199 HD21 LEU 24 3HD2 LEU 24 13.815 1.659 7.902 200 HD22 LEU 24 1HD2 LEU 24 12.452 1.889 6.785 201 HD23 LEU 24 2HD2 LEU 24 13.837 0.874 6.318 202 H TRP 25 H TRP 25 10.139 0.629 11.682 203 HA TRP 25 HA TRP 25 12.250 0.695 13.608 204 HB2 TRP 25 1HB TRP 25 9.252 1.106 13.936 205 HB3 TRP 25 2HB TRP 25 10.467 1.532 15.129 206 HD1 TRP 25 HD1 TRP 25 8.577 3.020 12.389 207 HE1 TRP 25 HE1 TRP 25 9.547 5.307 11.692 208 HE3 TRP 25 HE3 TRP 25 13.071 2.769 14.824 209 HZ2 TRP 25 HZ2 TRP 25 11.950 6.829 12.155 210 HZ3 TRP 25 HZ3 TRP 25 14.681 4.662 14.697 211 HH2 TRP 25 HH2 TRP 25 14.135 6.689 13.369 212 H TYR 26 H TYR 26 9.712 -1.703 13.126 213 HA TYR 26 HA TYR 26 10.033 -2.995 15.747 214 HB2 TYR 26 1HB TYR 26 8.519 -3.666 13.214 215 HB3 TYR 26 2HB TYR 26 8.815 -4.881 14.430 216 HD1 TYR 26 HD1 TYR 26 7.951 -1.229 15.003 217 HD2 TYR 26 HD2 TYR 26 6.715 -5.359 15.246 218 HE1 TYR 26 HE1 TYR 26 5.965 -0.555 16.329 219 HE2 TYR 26 HE2 TYR 26 4.709 -4.671 16.563 220 HH TYR 26 HH TYR 26 3.564 -2.933 17.518 221 H ILE 27 H ILE 27 11.038 -3.680 12.408 222 HA ILE 27 HA ILE 27 12.567 -6.046 13.099 223 HB ILE 27 HB ILE 27 12.796 -4.345 10.588 224 HG12 ILE 27 1HG1 ILE 27 10.484 -4.950 10.722 225 HG13 ILE 27 2HG1 ILE 27 11.268 -5.966 9.550 226 HG21 ILE 27 1HG2 ILE 27 13.458 -6.640 9.607 227 HG22 ILE 27 2HG2 ILE 27 14.648 -5.832 10.628 228 HG23 ILE 27 3HG2 ILE 27 13.687 -7.169 11.283 229 HD11 ILE 27 3HD1 ILE 27 9.852 -7.433 10.714 230 HD12 ILE 27 1HD1 ILE 27 11.404 -7.743 11.495 231 HD13 ILE 27 2HD1 ILE 27 10.193 -6.698 12.289 232 H LYS 28 H LYS 28 13.529 -2.725 12.382 233 HA LYS 28 HA LYS 28 16.307 -3.201 13.412 234 HB2 LYS 28 1HB LYS 28 15.261 -1.181 11.390 235 HB3 LYS 28 2HB LYS 28 16.898 -1.165 12.029 236 HG2 LYS 28 1HG LYS 28 15.718 -3.560 10.564 237 HG3 LYS 28 2HG LYS 28 16.568 -2.254 9.746 238 HD2 LYS 28 1HD LYS 28 18.655 -2.786 10.709 239 HD3 LYS 28 2HD LYS 28 17.930 -3.655 12.058 240 HE2 LYS 28 1HE LYS 28 18.851 -5.339 10.703 241 HE3 LYS 28 2HE LYS 28 17.104 -5.407 10.467 242 HZ1 LYS 28 3HZ LYS 28 19.106 -4.256 8.600 243 HZ2 LYS 28 1HZ LYS 28 17.496 -4.065 8.386 244 HZ3 LYS 28 2HZ LYS 28 18.160 -5.556 8.340 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 -13.987 -10.423 -12.570 2 H2 ASN 1 2H ASN 1 -12.706 -10.359 -11.558 3 H3 ASN 1 3H ASN 1 -14.180 -9.871 -11.037 4 HA ASN 1 HA ASN 1 -12.598 -8.567 -13.158 5 HB2 ASN 1 1HB ASN 1 -15.220 -7.628 -11.911 6 HB3 ASN 1 2HB ASN 1 -14.264 -6.766 -13.121 7 HD21 ASN 1 2HD2 ASN 1 -17.049 -7.479 -13.500 8 HD22 ASN 1 1HD2 ASN 1 -17.073 -8.659 -14.800 9 H GLU 2 H GLU 2 -10.720 -8.337 -11.879 10 HA GLU 2 HA GLU 2 -11.003 -6.484 -9.525 11 HB2 GLU 2 1HB GLU 2 -10.119 -9.018 -9.338 12 HB3 GLU 2 2HB GLU 2 -8.600 -8.244 -9.800 13 HG2 GLU 2 1HG GLU 2 -8.979 -6.597 -7.886 14 HG3 GLU 2 2HG GLU 2 -10.404 -7.537 -7.443 15 H GLN 3 H GLN 3 -9.188 -7.104 -12.513 16 HA GLN 3 HA GLN 3 -7.197 -5.110 -12.204 17 HB2 GLN 3 1HB GLN 3 -8.461 -6.052 -14.798 18 HB3 GLN 3 2HB GLN 3 -6.926 -5.193 -14.603 19 HG2 GLN 3 1HG GLN 3 -6.188 -7.146 -13.091 20 HG3 GLN 3 2HG GLN 3 -7.590 -8.025 -13.717 21 HE21 GLN 3 2HE2 GLN 3 -4.692 -8.673 -14.054 22 HE22 GLN 3 1HE2 GLN 3 -4.449 -8.664 -15.798 23 H GLU 4 H GLU 4 -10.559 -4.817 -13.120 24 HA GLU 4 HA GLU 4 -10.538 -2.083 -14.080 25 HB2 GLU 4 1HB GLU 4 -12.740 -3.782 -12.834 26 HB3 GLU 4 2HB GLU 4 -13.008 -2.223 -13.600 27 HG2 GLU 4 1HG GLU 4 -11.946 -4.731 -14.973 28 HG3 GLU 4 2HG GLU 4 -13.588 -4.115 -15.072 29 H LEU 5 H LEU 5 -10.547 -3.462 -10.846 30 HA LEU 5 HA LEU 5 -11.167 -0.858 -9.560 31 HB2 LEU 5 1HB LEU 5 -11.853 -3.437 -8.911 32 HB3 LEU 5 2HB LEU 5 -10.435 -3.228 -7.896 33 HG LEU 5 HG LEU 5 -12.855 -1.352 -7.972 34 HD11 LEU 5 1HD1 LEU 5 -13.528 -2.400 -5.864 35 HD12 LEU 5 2HD1 LEU 5 -12.145 -3.516 -5.951 36 HD13 LEU 5 3HD1 LEU 5 -13.449 -3.602 -7.157 37 HD21 LEU 5 3HD2 LEU 5 -10.948 -0.146 -7.086 38 HD22 LEU 5 1HD2 LEU 5 -10.507 -1.511 -6.033 39 HD23 LEU 5 2HD2 LEU 5 -11.995 -0.582 -5.740 40 H LEU 6 H LEU 6 -8.450 -2.973 -10.258 41 HA LEU 6 HA LEU 6 -6.499 -2.055 -8.529 42 HB2 LEU 6 1HB LEU 6 -6.544 -3.558 -10.962 43 HB3 LEU 6 2HB LEU 6 -5.326 -2.323 -11.171 44 HG LEU 6 HG LEU 6 -4.491 -3.095 -8.779 45 HD11 LEU 6 1HD1 LEU 6 -4.908 -5.474 -8.334 46 HD12 LEU 6 2HD1 LEU 6 -5.956 -5.591 -9.763 47 HD13 LEU 6 3HD1 LEU 6 -6.455 -4.607 -8.375 48 HD21 LEU 6 3HD2 LEU 6 -4.114 -4.799 -11.277 49 HD22 LEU 6 1HD2 LEU 6 -3.064 -4.814 -9.838 50 HD23 LEU 6 2HD2 LEU 6 -3.184 -3.351 -10.827 51 H GLU 7 H GLU 7 -7.698 -0.330 -11.340 52 HA GLU 7 HA GLU 7 -5.782 1.713 -11.640 53 HB2 GLU 7 1HB GLU 7 -7.464 2.954 -12.776 54 HB3 GLU 7 2HB GLU 7 -7.719 1.242 -13.128 55 HG2 GLU 7 1HG GLU 7 -9.526 1.237 -11.337 56 HG3 GLU 7 2HG GLU 7 -9.293 2.971 -11.165 57 H LEU 8 H LEU 8 -8.268 1.412 -9.177 58 HA LEU 8 HA LEU 8 -7.648 4.057 -7.981 59 HB2 LEU 8 1HB LEU 8 -10.003 2.519 -8.268 60 HB3 LEU 8 2HB LEU 8 -9.601 2.348 -6.568 61 HG LEU 8 HG LEU 8 -9.862 4.990 -8.077 62 HD11 LEU 8 1HD1 LEU 8 -11.796 3.941 -5.989 63 HD12 LEU 8 2HD1 LEU 8 -11.995 3.570 -7.713 64 HD13 LEU 8 3HD1 LEU 8 -12.012 5.253 -7.169 65 HD21 LEU 8 3HD2 LEU 8 -8.398 5.272 -6.131 66 HD22 LEU 8 1HD2 LEU 8 -9.557 4.417 -5.094 67 HD23 LEU 8 2HD2 LEU 8 -9.971 6.002 -5.787 68 H ASP 9 H ASP 9 -7.162 0.619 -7.462 69 HA ASP 9 HA ASP 9 -6.290 0.632 -4.775 70 HB2 ASP 9 1HB ASP 9 -6.793 -1.364 -6.264 71 HB3 ASP 9 2HB ASP 9 -5.175 -1.157 -6.946 72 H LYS 10 H LYS 10 -4.538 1.666 -7.663 73 HA LYS 10 HA LYS 10 -1.880 1.799 -6.626 74 HB2 LYS 10 1HB LYS 10 -3.375 3.425 -8.715 75 HB3 LYS 10 2HB LYS 10 -1.800 3.966 -8.168 76 HG2 LYS 10 1HG LYS 10 -0.801 2.605 -9.605 77 HG3 LYS 10 2HG LYS 10 -1.342 1.249 -8.643 78 HD2 LYS 10 1HD LYS 10 -2.101 0.626 -10.700 79 HD3 LYS 10 2HD LYS 10 -3.545 1.421 -10.082 80 HE2 LYS 10 1HE LYS 10 -3.493 3.034 -11.672 81 HE3 LYS 10 2HE LYS 10 -1.781 3.352 -11.389 82 HZ1 LYS 10 3HZ LYS 10 -2.000 2.539 -13.605 83 HZ2 LYS 10 1HZ LYS 10 -2.891 1.245 -13.162 84 HZ3 LYS 10 2HZ LYS 10 -1.308 1.331 -12.763 85 H TRP 11 H TRP 11 -4.431 4.247 -6.314 86 HA TRP 11 HA TRP 11 -2.845 6.012 -4.608 87 HB2 TRP 11 1HB TRP 11 -5.741 5.858 -5.412 88 HB3 TRP 11 2HB TRP 11 -5.309 6.773 -3.981 89 HD1 TRP 11 HD1 TRP 11 -3.178 6.753 -7.200 90 HE1 TRP 11 HE1 TRP 11 -2.998 9.167 -8.074 91 HE3 TRP 11 HE3 TRP 11 -6.431 9.051 -3.966 92 HZ2 TRP 11 HZ2 TRP 11 -4.083 11.750 -7.437 93 HZ3 TRP 11 HZ3 TRP 11 -6.836 11.501 -4.130 94 HH2 TRP 11 HH2 TRP 11 -5.667 12.857 -5.850 95 H ALA 12 H ALA 12 -4.987 3.255 -3.904 96 HA ALA 12 HA ALA 12 -4.933 3.638 -1.033 97 HB1 ALA 12 3HB ALA 12 -5.905 1.406 -0.937 98 HB2 ALA 12 1HB ALA 12 -6.703 2.373 -2.191 99 HB3 ALA 12 2HB ALA 12 -5.518 1.124 -2.642 100 H SER 13 H SER 13 -2.716 1.920 -3.260 101 HA SER 13 HA SER 13 -1.168 0.510 -1.378 102 HB2 SER 13 1HB SER 13 -0.169 1.930 -3.880 103 HB3 SER 13 2HB SER 13 0.707 0.689 -2.976 104 HG SER 13 HG SER 13 -1.033 -0.765 -3.441 105 H LEU 14 H LEU 14 -0.961 3.967 -2.223 106 HA LEU 14 HA LEU 14 1.375 4.584 -0.654 107 HB2 LEU 14 1HB LEU 14 -0.956 6.169 -1.755 108 HB3 LEU 14 2HB LEU 14 0.097 6.933 -0.581 109 HG LEU 14 HG LEU 14 1.168 5.670 -3.135 110 HD11 LEU 14 1HD1 LEU 14 -0.410 7.491 -3.683 111 HD12 LEU 14 2HD1 LEU 14 1.261 7.968 -4.025 112 HD13 LEU 14 3HD1 LEU 14 0.446 8.580 -2.568 113 HD21 LEU 14 3HD2 LEU 14 2.873 6.003 -1.369 114 HD22 LEU 14 1HD2 LEU 14 2.328 7.675 -1.134 115 HD23 LEU 14 2HD2 LEU 14 3.102 7.190 -2.656 116 H TRP 15 H TRP 15 -2.055 4.339 0.238 117 HA TRP 15 HA TRP 15 -1.703 5.295 2.960 118 HB2 TRP 15 1HB TRP 15 -3.897 4.230 1.316 119 HB3 TRP 15 2HB TRP 15 -3.919 3.603 2.948 120 HD1 TRP 15 HD1 TRP 15 -5.686 4.898 4.180 121 HE1 TRP 15 HE1 TRP 15 -6.256 7.379 4.589 122 HE3 TRP 15 HE3 TRP 15 -2.288 7.043 1.023 123 HZ2 TRP 15 HZ2 TRP 15 -5.308 9.953 3.709 124 HZ3 TRP 15 HZ3 TRP 15 -2.112 9.524 0.842 125 HH2 TRP 15 HH2 TRP 15 -3.614 10.983 2.181 126 H ASN 16 H ASN 16 -1.575 2.065 1.460 127 HA ASN 16 HA ASN 16 -1.147 0.686 3.962 128 HB2 ASN 16 1HB ASN 16 -1.755 -0.093 1.376 129 HB3 ASN 16 2HB ASN 16 -0.065 -0.578 1.488 130 HD21 ASN 16 2HD2 ASN 16 -0.110 -2.820 1.923 131 HD22 ASN 16 1HD2 ASN 16 -1.195 -3.519 3.120 132 H TRP 17 H TRP 17 1.104 2.210 1.687 133 HA TRP 17 HA TRP 17 3.546 1.227 2.676 134 HB2 TRP 17 1HB TRP 17 3.364 2.506 0.634 135 HB3 TRP 17 2HB TRP 17 2.882 3.941 1.524 136 HD1 TRP 17 HD1 TRP 17 5.972 1.586 1.598 137 HE1 TRP 17 HE1 TRP 17 8.096 3.035 1.791 138 HE3 TRP 17 HE3 TRP 17 3.795 6.227 1.764 139 HZ2 TRP 17 HZ2 TRP 17 8.758 5.823 2.024 140 HZ3 TRP 17 HZ3 TRP 17 5.206 8.266 1.960 141 HH2 TRP 17 HH2 TRP 17 7.679 8.078 2.099 142 H PHE 18 H PHE 18 1.495 3.695 4.203 143 HA PHE 18 HA PHE 18 3.370 4.724 6.093 144 HB2 PHE 18 1HB PHE 18 0.360 4.349 6.211 145 HB3 PHE 18 2HB PHE 18 1.259 5.016 7.553 146 HD1 PHE 18 HD2 PHE 18 0.227 5.644 4.060 147 HD2 PHE 18 HD1 PHE 18 2.150 7.258 7.552 148 HE1 PHE 18 HE2 PHE 18 0.084 7.922 3.073 149 HE2 PHE 18 HE1 PHE 18 1.997 9.539 6.583 150 HZ PHE 18 HZ PHE 18 0.967 9.877 4.342 151 H ASN 19 H ASN 19 1.735 1.603 6.047 152 HA ASN 19 HA ASN 19 2.573 0.940 8.819 153 HB2 ASN 19 1HB ASN 19 0.917 -0.404 6.677 154 HB3 ASN 19 2HB ASN 19 1.775 -1.420 7.831 155 HD21 ASN 19 2HD2 ASN 19 -0.239 -2.176 8.710 156 HD22 ASN 19 1HD2 ASN 19 -1.139 -1.120 9.791 157 H ILE 20 H ILE 20 3.535 0.176 5.471 158 HA ILE 20 HA ILE 20 5.578 -1.707 6.083 159 HB ILE 20 HB ILE 20 5.430 0.156 3.699 160 HG12 ILE 20 1HG1 ILE 20 3.391 -1.121 3.748 161 HG13 ILE 20 2HG1 ILE 20 4.440 -1.777 2.512 162 HG21 ILE 20 1HG2 ILE 20 7.072 -2.350 4.216 163 HG22 ILE 20 2HG2 ILE 20 6.767 -1.709 2.589 164 HG23 ILE 20 3HG2 ILE 20 7.644 -0.732 3.767 165 HD11 ILE 20 3HD1 ILE 20 3.847 -3.004 5.235 166 HD12 ILE 20 1HD1 ILE 20 3.376 -3.610 3.640 167 HD13 ILE 20 2HD1 ILE 20 5.081 -3.636 4.115 168 H THR 21 H THR 21 5.872 1.890 5.790 169 HA THR 21 HA THR 21 8.691 2.070 6.182 170 HB THR 21 HB THR 21 8.087 4.322 7.317 171 HG1 THR 21 HG1 THR 21 5.987 4.993 6.930 172 HG21 THR 21 3HG2 THR 21 7.254 5.262 5.064 173 HG22 THR 21 1HG2 THR 21 7.392 3.594 4.470 174 HG23 THR 21 2HG2 THR 21 8.823 4.441 5.098 175 H ASN 22 H ASN 22 6.104 1.712 8.586 176 HA ASN 22 HA ASN 22 8.004 1.884 10.814 177 HB2 ASN 22 1HB ASN 22 5.370 2.499 10.625 178 HB3 ASN 22 2HB ASN 22 5.217 0.853 11.233 179 HD21 ASN 22 2HD2 ASN 22 6.884 3.990 11.824 180 HD22 ASN 22 1HD2 ASN 22 6.951 3.778 13.567 181 H TRP 23 H TRP 23 6.279 -0.743 9.123 182 HA TRP 23 HA TRP 23 7.146 -2.889 10.797 183 HB2 TRP 23 1HB TRP 23 5.270 -2.908 9.110 184 HB3 TRP 23 2HB TRP 23 6.480 -2.998 7.837 185 HD1 TRP 23 HD1 TRP 23 6.336 -5.027 11.143 186 HE1 TRP 23 HE1 TRP 23 6.203 -7.530 10.604 187 HE3 TRP 23 HE3 TRP 23 6.149 -4.759 6.022 188 HZ2 TRP 23 HZ2 TRP 23 5.983 -9.199 8.283 189 HZ3 TRP 23 HZ3 TRP 23 5.968 -6.842 4.672 190 HH2 TRP 23 HH2 TRP 23 5.878 -9.060 5.787 191 H LEU 24 H LEU 24 8.779 -1.274 8.136 192 HA LEU 24 HA LEU 24 10.852 -3.003 7.509 193 HB2 LEU 24 1HB LEU 24 10.248 -0.204 7.230 194 HB3 LEU 24 2HB LEU 24 11.908 -0.294 7.763 195 HG LEU 24 HG LEU 24 10.940 -2.060 5.483 196 HD11 LEU 24 1HD1 LEU 24 11.836 0.839 5.250 197 HD12 LEU 24 2HD1 LEU 24 10.223 0.186 4.876 198 HD13 LEU 24 3HD1 LEU 24 11.616 -0.295 3.896 199 HD21 LEU 24 3HD2 LEU 24 13.219 -2.425 6.458 200 HD22 LEU 24 1HD2 LEU 24 13.631 -0.741 6.069 201 HD23 LEU 24 2HD2 LEU 24 13.278 -1.896 4.767 202 H TRP 25 H TRP 25 10.700 -0.933 10.387 203 HA TRP 25 HA TRP 25 13.270 -1.533 11.509 204 HB2 TRP 25 1HB TRP 25 10.633 -0.740 12.810 205 HB3 TRP 25 2HB TRP 25 12.171 -0.808 13.644 206 HD1 TRP 25 HD1 TRP 25 10.298 1.288 11.055 207 HE1 TRP 25 HE1 TRP 25 11.436 3.583 10.835 208 HE3 TRP 25 HE3 TRP 25 14.450 0.407 13.920 209 HZ2 TRP 25 HZ2 TRP 25 13.825 4.877 11.801 210 HZ3 TRP 25 HZ3 TRP 25 16.146 2.198 14.259 211 HH2 TRP 25 HH2 TRP 25 15.844 4.429 13.207 212 H TYR 26 H TYR 26 10.248 -3.351 11.536 213 HA TYR 26 HA TYR 26 11.020 -5.211 13.644 214 HB2 TYR 26 1HB TYR 26 8.622 -4.500 12.494 215 HB3 TYR 26 2HB TYR 26 8.941 -6.013 11.666 216 HD1 TYR 26 HD1 TYR 26 9.147 -8.145 13.008 217 HD2 TYR 26 HD2 TYR 26 8.160 -4.365 14.840 218 HE1 TYR 26 HE1 TYR 26 8.399 -9.335 15.077 219 HE2 TYR 26 HE2 TYR 26 7.414 -5.553 16.898 220 HH TYR 26 HH TYR 26 7.174 -7.567 17.943 221 H ILE 27 H ILE 27 11.067 -5.169 10.099 222 HA ILE 27 HA ILE 27 12.050 -7.851 9.709 223 HB ILE 27 HB ILE 27 12.355 -5.453 7.860 224 HG12 ILE 27 1HG1 ILE 27 10.006 -5.658 8.236 225 HG13 ILE 27 2HG1 ILE 27 10.386 -6.303 6.665 226 HG21 ILE 27 1HG2 ILE 27 12.641 -8.444 7.404 227 HG22 ILE 27 2HG2 ILE 27 12.382 -7.289 6.083 228 HG23 ILE 27 3HG2 ILE 27 13.823 -7.158 7.090 229 HD11 ILE 27 3HD1 ILE 27 9.517 -7.784 9.161 230 HD12 ILE 27 1HD1 ILE 27 8.812 -7.807 7.536 231 HD13 ILE 27 2HD1 ILE 27 10.335 -8.654 7.837 232 H LYS 28 H LYS 28 13.742 -4.717 9.719 233 HA LYS 28 HA LYS 28 16.372 -6.032 10.331 234 HB2 LYS 28 1HB LYS 28 15.593 -4.303 8.001 235 HB3 LYS 28 2HB LYS 28 17.167 -4.014 8.714 236 HG2 LYS 28 1HG LYS 28 16.551 -6.896 8.200 237 HG3 LYS 28 2HG LYS 28 16.631 -5.890 6.764 238 HD2 LYS 28 1HD LYS 28 18.854 -6.022 8.855 239 HD3 LYS 28 2HD LYS 28 18.785 -6.998 7.377 240 HE2 LYS 28 1HE LYS 28 18.527 -4.744 6.111 241 HE3 LYS 28 2HE LYS 28 19.055 -3.975 7.612 242 HZ1 LYS 28 3HZ LYS 28 20.605 -5.994 6.076 243 HZ2 LYS 28 1HZ LYS 28 21.109 -5.303 7.470 244 HZ3 LYS 28 2HZ LYS 28 20.922 -4.398 6.125 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 -13.149 -4.577 -17.354 2 H2 ASN 1 2H ASN 1 -12.988 -4.309 -18.959 3 H3 ASN 1 3H ASN 1 -12.191 -3.364 -17.897 4 HA ASN 1 HA ASN 1 -14.061 -2.195 -18.820 5 HB2 ASN 1 1HB ASN 1 -15.506 -4.690 -18.132 6 HB3 ASN 1 2HB ASN 1 -16.321 -3.221 -17.611 7 HD21 ASN 1 2HD2 ASN 1 -14.760 -4.655 -20.641 8 HD22 ASN 1 1HD2 ASN 1 -15.821 -3.714 -21.661 9 H GLU 2 H GLU 2 -14.431 -3.673 -15.496 10 HA GLU 2 HA GLU 2 -14.917 -1.218 -14.209 11 HB2 GLU 2 1HB GLU 2 -13.775 -3.810 -13.091 12 HB3 GLU 2 2HB GLU 2 -14.315 -2.425 -12.145 13 HG2 GLU 2 1HG GLU 2 -16.219 -3.577 -12.016 14 HG3 GLU 2 2HG GLU 2 -16.578 -2.735 -13.514 15 H GLN 3 H GLN 3 -13.284 0.066 -15.378 16 HA GLN 3 HA GLN 3 -10.543 0.192 -14.641 17 HB2 GLN 3 1HB GLN 3 -10.561 2.365 -15.644 18 HB3 GLN 3 2HB GLN 3 -11.658 1.335 -16.562 19 HG2 GLN 3 1HG GLN 3 -13.547 2.370 -15.063 20 HG3 GLN 3 2HG GLN 3 -12.343 3.589 -14.641 21 HE21 GLN 3 2HE2 GLN 3 -14.928 3.115 -16.645 22 HE22 GLN 3 1HE2 GLN 3 -14.410 4.141 -17.977 23 H GLU 4 H GLU 4 -13.379 1.302 -12.883 24 HA GLU 4 HA GLU 4 -12.084 3.088 -11.069 25 HB2 GLU 4 1HB GLU 4 -14.684 2.465 -11.549 26 HB3 GLU 4 2HB GLU 4 -14.427 1.472 -10.117 27 HG2 GLU 4 1HG GLU 4 -13.280 3.939 -9.404 28 HG3 GLU 4 2HG GLU 4 -14.620 4.419 -10.434 29 H LEU 5 H LEU 5 -12.478 -0.437 -11.031 30 HA LEU 5 HA LEU 5 -11.408 -0.832 -8.349 31 HB2 LEU 5 1HB LEU 5 -12.229 -2.603 -10.620 32 HB3 LEU 5 2HB LEU 5 -10.822 -3.157 -9.738 33 HG LEU 5 HG LEU 5 -12.238 -2.725 -7.574 34 HD11 LEU 5 1HD1 LEU 5 -14.640 -3.091 -7.874 35 HD12 LEU 5 2HD1 LEU 5 -14.447 -3.130 -9.640 36 HD13 LEU 5 3HD1 LEU 5 -14.152 -1.624 -8.741 37 HD21 LEU 5 3HD2 LEU 5 -13.107 -5.012 -7.683 38 HD22 LEU 5 1HD2 LEU 5 -11.464 -4.924 -8.327 39 HD23 LEU 5 2HD2 LEU 5 -12.843 -5.048 -9.444 40 H LEU 6 H LEU 6 -10.001 -1.006 -11.634 41 HA LEU 6 HA LEU 6 -7.363 -1.676 -10.890 42 HB2 LEU 6 1HB LEU 6 -8.229 -1.830 -13.176 43 HB3 LEU 6 2HB LEU 6 -8.399 -0.077 -13.263 44 HG LEU 6 HG LEU 6 -5.950 0.207 -13.147 45 HD11 LEU 6 1HD1 LEU 6 -5.268 -1.771 -11.867 46 HD12 LEU 6 2HD1 LEU 6 -4.474 -1.784 -13.442 47 HD13 LEU 6 3HD1 LEU 6 -5.871 -2.845 -13.150 48 HD21 LEU 6 3HD2 LEU 6 -5.438 -0.677 -15.366 49 HD22 LEU 6 1HD2 LEU 6 -7.089 -0.039 -15.327 50 HD23 LEU 6 2HD2 LEU 6 -6.816 -1.796 -15.269 51 H GLU 7 H GLU 7 -8.788 1.589 -11.215 52 HA GLU 7 HA GLU 7 -6.481 3.161 -10.682 53 HB2 GLU 7 1HB GLU 7 -9.424 3.541 -10.050 54 HB3 GLU 7 2HB GLU 7 -8.238 4.777 -9.658 55 HG2 GLU 7 1HG GLU 7 -8.291 3.713 -12.489 56 HG3 GLU 7 2HG GLU 7 -9.592 4.771 -11.957 57 H LEU 8 H LEU 8 -8.687 1.596 -8.350 58 HA LEU 8 HA LEU 8 -7.098 2.457 -6.036 59 HB2 LEU 8 1HB LEU 8 -9.767 1.370 -6.519 60 HB3 LEU 8 2HB LEU 8 -8.952 0.393 -5.324 61 HG LEU 8 HG LEU 8 -10.269 2.099 -4.263 62 HD11 LEU 8 1HD1 LEU 8 -7.347 2.860 -3.895 63 HD12 LEU 8 2HD1 LEU 8 -8.122 1.429 -3.183 64 HD13 LEU 8 3HD1 LEU 8 -8.675 3.054 -2.740 65 HD21 LEU 8 3HD2 LEU 8 -8.566 4.187 -5.681 66 HD22 LEU 8 1HD2 LEU 8 -9.806 4.491 -4.449 67 HD23 LEU 8 2HD2 LEU 8 -10.270 3.811 -6.018 68 H ASP 9 H ASP 9 -7.266 -0.434 -8.033 69 HA ASP 9 HA ASP 9 -6.033 -2.315 -6.340 70 HB2 ASP 9 1HB ASP 9 -7.118 -2.753 -8.590 71 HB3 ASP 9 2HB ASP 9 -5.680 -2.086 -9.353 72 H LYS 10 H LYS 10 -4.548 0.104 -8.427 73 HA LYS 10 HA LYS 10 -1.772 -0.611 -8.033 74 HB2 LYS 10 1HB LYS 10 -3.062 2.071 -8.680 75 HB3 LYS 10 2HB LYS 10 -1.339 1.723 -8.837 76 HG2 LYS 10 1HG LYS 10 -1.609 0.390 -10.734 77 HG3 LYS 10 2HG LYS 10 -3.220 -0.133 -10.292 78 HD2 LYS 10 1HD LYS 10 -3.708 1.218 -12.082 79 HD3 LYS 10 2HD LYS 10 -3.994 2.291 -10.729 80 HE2 LYS 10 1HE LYS 10 -2.768 3.701 -12.054 81 HE3 LYS 10 2HE LYS 10 -1.450 2.989 -11.117 82 HZ1 LYS 10 3HZ LYS 10 -0.963 2.957 -13.498 83 HZ2 LYS 10 1HZ LYS 10 -2.325 2.132 -13.834 84 HZ3 LYS 10 2HZ LYS 10 -1.122 1.413 -12.992 85 H TRP 11 H TRP 11 -3.918 1.616 -6.297 86 HA TRP 11 HA TRP 11 -2.016 2.432 -4.264 87 HB2 TRP 11 1HB TRP 11 -4.998 2.663 -4.638 88 HB3 TRP 11 2HB TRP 11 -4.302 2.964 -3.060 89 HD1 TRP 11 HD1 TRP 11 -3.213 4.145 -6.604 90 HE1 TRP 11 HE1 TRP 11 -2.785 6.682 -6.511 91 HE3 TRP 11 HE3 TRP 11 -4.483 5.019 -1.711 92 HZ2 TRP 11 HZ2 TRP 11 -2.952 8.802 -4.574 93 HZ3 TRP 11 HZ3 TRP 11 -4.353 7.319 -0.775 94 HH2 TRP 11 HH2 TRP 11 -3.585 9.212 -2.189 95 H ALA 12 H ALA 12 -4.261 -0.340 -4.442 96 HA ALA 12 HA ALA 12 -4.156 -1.145 -1.755 97 HB1 ALA 12 3HB ALA 12 -4.225 -2.999 -4.163 98 HB2 ALA 12 1HB ALA 12 -4.823 -3.328 -2.528 99 HB3 ALA 12 2HB ALA 12 -5.625 -2.102 -3.526 100 H SER 13 H SER 13 -1.598 -1.461 -4.162 101 HA SER 13 HA SER 13 0.088 -3.261 -2.569 102 HB2 SER 13 1HB SER 13 0.606 -1.501 -4.991 103 HB3 SER 13 2HB SER 13 1.899 -2.386 -4.166 104 HG SER 13 HG SER 13 -0.485 -3.584 -5.188 105 H LEU 14 H LEU 14 -0.064 0.284 -3.053 106 HA LEU 14 HA LEU 14 2.143 0.980 -1.351 107 HB2 LEU 14 1HB LEU 14 -0.284 2.467 -2.410 108 HB3 LEU 14 2HB LEU 14 0.764 3.210 -1.231 109 HG LEU 14 HG LEU 14 1.241 3.931 -3.500 110 HD11 LEU 14 1HD1 LEU 14 3.022 3.974 -1.792 111 HD12 LEU 14 2HD1 LEU 14 3.657 3.763 -3.430 112 HD13 LEU 14 3HD1 LEU 14 3.579 2.372 -2.333 113 HD21 LEU 14 3HD2 LEU 14 0.775 1.853 -4.746 114 HD22 LEU 14 1HD2 LEU 14 2.271 1.137 -4.095 115 HD23 LEU 14 2HD2 LEU 14 2.344 2.561 -5.149 116 H TRP 15 H TRP 15 -1.277 0.354 -0.616 117 HA TRP 15 HA TRP 15 -1.328 1.203 2.090 118 HB2 TRP 15 1HB TRP 15 -2.850 -0.828 0.486 119 HB3 TRP 15 2HB TRP 15 -2.960 -0.926 2.229 120 HD1 TRP 15 HD1 TRP 15 -4.292 1.039 -0.655 121 HE1 TRP 15 HE1 TRP 15 -5.982 2.792 0.191 122 HE3 TRP 15 HE3 TRP 15 -3.344 0.721 4.364 123 HZ2 TRP 15 HZ2 TRP 15 -6.813 3.900 2.715 124 HZ3 TRP 15 HZ3 TRP 15 -4.611 2.134 5.977 125 HH2 TRP 15 HH2 TRP 15 -6.343 3.720 5.165 126 H ASN 16 H ASN 16 -0.085 -1.892 0.812 127 HA ASN 16 HA ASN 16 0.471 -3.051 3.407 128 HB2 ASN 16 1HB ASN 16 0.246 -4.214 1.131 129 HB3 ASN 16 2HB ASN 16 1.893 -3.681 0.783 130 HD21 ASN 16 2HD2 ASN 16 0.680 -6.446 1.174 131 HD22 ASN 16 1HD2 ASN 16 1.685 -7.141 2.440 132 H TRP 17 H TRP 17 2.513 -1.266 1.060 133 HA TRP 17 HA TRP 17 4.891 -1.155 2.607 134 HB2 TRP 17 1HB TRP 17 4.773 -0.634 0.213 135 HB3 TRP 17 2HB TRP 17 3.865 0.833 0.564 136 HD1 TRP 17 HD1 TRP 17 7.290 -0.698 1.545 137 HE1 TRP 17 HE1 TRP 17 9.039 1.186 1.719 138 HE3 TRP 17 HE3 TRP 17 4.280 3.322 0.504 139 HZ2 TRP 17 HZ2 TRP 17 9.117 4.047 1.472 140 HZ3 TRP 17 HZ3 TRP 17 5.229 5.623 0.471 141 HH2 TRP 17 HH2 TRP 17 7.636 5.996 0.958 142 H PHE 18 H PHE 18 2.020 0.940 2.826 143 HA PHE 18 HA PHE 18 3.032 2.974 4.473 144 HB2 PHE 18 1HB PHE 18 0.662 2.572 3.420 145 HB3 PHE 18 2HB PHE 18 0.288 1.798 4.950 146 HD1 PHE 18 HD1 PHE 18 0.530 3.210 7.125 147 HD2 PHE 18 HD2 PHE 18 0.650 4.924 3.164 148 HE1 PHE 18 HE1 PHE 18 0.078 5.453 8.078 149 HE2 PHE 18 HE2 PHE 18 0.168 7.161 4.123 150 HZ PHE 18 HZ PHE 18 -0.108 7.433 6.581 151 H ASN 19 H ASN 19 2.281 -0.356 5.390 152 HA ASN 19 HA ASN 19 2.574 0.142 8.274 153 HB2 ASN 19 1HB ASN 19 1.450 -1.924 6.682 154 HB3 ASN 19 2HB ASN 19 2.872 -2.656 7.412 155 HD21 ASN 19 2HD2 ASN 19 -0.065 -0.726 8.197 156 HD22 ASN 19 1HD2 ASN 19 -0.235 -1.420 9.804 157 H ILE 20 H ILE 20 4.608 -1.046 5.630 158 HA ILE 20 HA ILE 20 6.896 -1.840 7.141 159 HB ILE 20 HB ILE 20 6.823 -0.808 4.295 160 HG12 ILE 20 1HG1 ILE 20 5.306 -2.676 4.424 161 HG13 ILE 20 2HG1 ILE 20 6.781 -3.178 3.628 162 HG21 ILE 20 1HG2 ILE 20 8.884 -2.199 4.019 163 HG22 ILE 20 2HG2 ILE 20 9.100 -0.806 5.075 164 HG23 ILE 20 3HG2 ILE 20 8.927 -2.422 5.782 165 HD11 ILE 20 3HD1 ILE 20 6.013 -4.941 5.096 166 HD12 ILE 20 1HD1 ILE 20 7.525 -4.298 5.753 167 HD13 ILE 20 2HD1 ILE 20 5.965 -3.849 6.487 168 H THR 21 H THR 21 6.029 1.428 5.825 169 HA THR 21 HA THR 21 8.429 2.738 6.512 170 HB THR 21 HB THR 21 6.366 4.594 7.112 171 HG1 THR 21 HG1 THR 21 4.997 4.393 5.402 172 HG21 THR 21 3HG2 THR 21 8.432 5.051 5.844 173 HG22 THR 21 1HG2 THR 21 6.992 5.585 4.961 174 HG23 THR 21 2HG2 THR 21 7.814 4.083 4.483 175 H ASN 22 H ASN 22 5.675 1.991 8.637 176 HA ASN 22 HA ASN 22 6.931 3.291 10.968 177 HB2 ASN 22 1HB ASN 22 4.370 1.798 10.425 178 HB3 ASN 22 2HB ASN 22 5.000 1.766 12.068 179 HD21 ASN 22 2HD2 ASN 22 4.446 3.464 13.393 180 HD22 ASN 22 1HD2 ASN 22 3.895 5.016 12.777 181 H TRP 23 H TRP 23 6.566 -0.072 9.778 182 HA TRP 23 HA TRP 23 7.808 -1.353 11.986 183 HB2 TRP 23 1HB TRP 23 6.458 -2.363 10.075 184 HB3 TRP 23 2HB TRP 23 7.927 -2.298 9.112 185 HD1 TRP 23 HD1 TRP 23 7.275 -3.552 12.739 186 HE1 TRP 23 HE1 TRP 23 8.097 -5.975 12.953 187 HE3 TRP 23 HE3 TRP 23 9.017 -4.262 7.964 188 HZ2 TRP 23 HZ2 TRP 23 9.242 -7.991 11.266 189 HZ3 TRP 23 HZ3 TRP 23 10.018 -6.448 7.320 190 HH2 TRP 23 HH2 TRP 23 10.109 -8.321 8.943 191 H LEU 24 H LEU 24 9.319 0.320 9.284 192 HA LEU 24 HA LEU 24 11.945 -0.571 9.398 193 HB2 LEU 24 1HB LEU 24 10.580 1.782 8.415 194 HB3 LEU 24 2HB LEU 24 11.986 2.328 9.307 195 HG LEU 24 HG LEU 24 13.357 0.625 7.934 196 HD11 LEU 24 1HD1 LEU 24 11.408 -0.677 7.052 197 HD12 LEU 24 2HD1 LEU 24 12.403 -0.002 5.750 198 HD13 LEU 24 3HD1 LEU 24 10.858 0.766 6.179 199 HD21 LEU 24 3HD2 LEU 24 12.006 2.965 6.523 200 HD22 LEU 24 1HD2 LEU 24 13.513 2.173 6.010 201 HD23 LEU 24 2HD2 LEU 24 13.453 3.049 7.550 202 H TRP 25 H TRP 25 10.463 1.763 11.634 203 HA TRP 25 HA TRP 25 12.768 2.267 13.286 204 HB2 TRP 25 1HB TRP 25 9.775 2.551 13.747 205 HB3 TRP 25 2HB TRP 25 10.975 3.027 14.925 206 HD1 TRP 25 HD1 TRP 25 9.615 4.093 11.512 207 HE1 TRP 25 HE1 TRP 25 10.262 6.555 11.101 208 HE3 TRP 25 HE3 TRP 25 12.749 4.798 15.506 209 HZ2 TRP 25 HZ2 TRP 25 11.882 8.574 12.368 210 HZ3 TRP 25 HZ3 TRP 25 13.819 7.012 15.892 211 HH2 TRP 25 HH2 TRP 25 13.391 8.901 14.337 212 H TYR 26 H TYR 26 10.487 -0.424 13.295 213 HA TYR 26 HA TYR 26 11.135 -1.311 16.027 214 HB2 TYR 26 1HB TYR 26 9.581 -2.502 13.715 215 HB3 TYR 26 2HB TYR 26 10.141 -3.510 15.023 216 HD1 TYR 26 HD1 TYR 26 8.784 0.015 15.273 217 HD2 TYR 26 HD2 TYR 26 8.205 -4.186 16.057 218 HE1 TYR 26 HE1 TYR 26 6.824 0.560 16.698 219 HE2 TYR 26 HE2 TYR 26 6.214 -3.635 17.479 220 HH TYR 26 HH TYR 26 5.184 -0.256 18.071 221 H ILE 27 H ILE 27 12.155 -2.071 12.741 222 HA ILE 27 HA ILE 27 14.026 -4.169 13.538 223 HB ILE 27 HB ILE 27 13.869 -2.682 10.892 224 HG12 ILE 27 1HG1 ILE 27 11.713 -3.631 11.141 225 HG13 ILE 27 2HG1 ILE 27 12.618 -4.683 10.093 226 HG21 ILE 27 1HG2 ILE 27 15.976 -3.877 11.088 227 HG22 ILE 27 2HG2 ILE 27 15.152 -5.343 11.651 228 HG23 ILE 27 3HG2 ILE 27 14.926 -4.767 9.987 229 HD11 ILE 27 3HD1 ILE 27 11.706 -5.164 12.946 230 HD12 ILE 27 1HD1 ILE 27 11.439 -6.144 11.499 231 HD13 ILE 27 2HD1 ILE 27 13.036 -6.133 12.251 232 H LYS 28 H LYS 28 14.519 -0.845 12.338 233 HA LYS 28 HA LYS 28 17.394 -0.829 12.991 234 HB2 LYS 28 1HB LYS 28 15.527 1.106 11.679 235 HB3 LYS 28 2HB LYS 28 17.059 1.683 12.325 236 HG2 LYS 28 1HG LYS 28 18.333 0.650 10.787 237 HG3 LYS 28 2HG LYS 28 17.363 -0.830 10.769 238 HD2 LYS 28 1HD LYS 28 15.683 0.200 9.380 239 HD3 LYS 28 2HD LYS 28 16.551 1.760 9.422 240 HE2 LYS 28 1HE LYS 28 18.572 0.529 8.458 241 HE3 LYS 28 2HE LYS 28 17.530 -0.877 8.219 242 HZ1 LYS 28 3HZ LYS 28 17.694 0.475 6.209 243 HZ2 LYS 28 1HZ LYS 28 17.123 1.794 6.975 244 HZ3 LYS 28 2HZ LYS 28 16.152 0.495 6.738 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 -15.149 -7.293 -12.869 2 H2 ASN 1 2H ASN 1 -14.954 -8.407 -14.049 3 H3 ASN 1 3H ASN 1 -14.467 -8.740 -12.520 4 HA ASN 1 HA ASN 1 -12.754 -7.084 -12.603 5 HB2 ASN 1 1HB ASN 1 -12.775 -9.215 -14.757 6 HB3 ASN 1 2HB ASN 1 -11.468 -8.036 -14.707 7 HD21 ASN 1 2HD2 ASN 1 -9.668 -8.912 -13.669 8 HD22 ASN 1 1HD2 ASN 1 -9.794 -9.882 -12.213 9 H GLU 2 H GLU 2 -12.647 -4.994 -13.029 10 HA GLU 2 HA GLU 2 -12.862 -4.040 -15.816 11 HB2 GLU 2 1HB GLU 2 -15.008 -3.671 -14.044 12 HB3 GLU 2 2HB GLU 2 -14.058 -2.220 -13.791 13 HG2 GLU 2 1HG GLU 2 -15.559 -1.632 -15.483 14 HG3 GLU 2 2HG GLU 2 -14.056 -1.930 -16.350 15 H GLN 3 H GLN 3 -11.717 -2.011 -16.143 16 HA GLN 3 HA GLN 3 -9.320 -1.740 -14.644 17 HB2 GLN 3 1HB GLN 3 -8.846 0.199 -15.964 18 HB3 GLN 3 2HB GLN 3 -9.521 -1.065 -16.988 19 HG2 GLN 3 1HG GLN 3 -11.705 0.093 -17.030 20 HG3 GLN 3 2HG GLN 3 -11.098 1.314 -15.905 21 HE21 GLN 3 2HE2 GLN 3 -11.495 0.630 -19.249 22 HE22 GLN 3 1HE2 GLN 3 -10.421 1.911 -19.804 23 H GLU 4 H GLU 4 -12.436 -0.226 -14.077 24 HA GLU 4 HA GLU 4 -11.646 1.939 -12.384 25 HB2 GLU 4 1HB GLU 4 -14.153 0.261 -12.664 26 HB3 GLU 4 2HB GLU 4 -13.976 1.310 -11.267 27 HG2 GLU 4 1HG GLU 4 -15.181 2.561 -12.842 28 HG3 GLU 4 2HG GLU 4 -13.573 3.263 -12.744 29 H LEU 5 H LEU 5 -11.964 -1.519 -11.639 30 HA LEU 5 HA LEU 5 -11.675 -1.145 -8.761 31 HB2 LEU 5 1HB LEU 5 -12.806 -3.066 -10.048 32 HB3 LEU 5 2HB LEU 5 -11.192 -3.712 -10.327 33 HG LEU 5 HG LEU 5 -11.806 -2.980 -7.478 34 HD11 LEU 5 1HD1 LEU 5 -13.232 -5.319 -8.801 35 HD12 LEU 5 2HD1 LEU 5 -13.996 -3.844 -8.164 36 HD13 LEU 5 3HD1 LEU 5 -13.183 -4.960 -7.058 37 HD21 LEU 5 3HD2 LEU 5 -10.716 -5.523 -8.761 38 HD22 LEU 5 1HD2 LEU 5 -10.748 -5.149 -7.025 39 HD23 LEU 5 2HD2 LEU 5 -9.734 -4.189 -8.113 40 H LEU 6 H LEU 6 -9.527 -2.026 -11.433 41 HA LEU 6 HA LEU 6 -7.106 -2.388 -9.947 42 HB2 LEU 6 1HB LEU 6 -7.805 -1.788 -12.831 43 HB3 LEU 6 2HB LEU 6 -6.126 -1.742 -12.339 44 HG LEU 6 HG LEU 6 -7.726 -4.180 -11.560 45 HD11 LEU 6 1HD1 LEU 6 -7.211 -5.240 -13.727 46 HD12 LEU 6 2HD1 LEU 6 -6.624 -3.681 -14.354 47 HD13 LEU 6 3HD1 LEU 6 -8.335 -3.885 -13.906 48 HD21 LEU 6 3HD2 LEU 6 -4.864 -3.767 -12.545 49 HD22 LEU 6 1HD2 LEU 6 -5.552 -5.276 -11.911 50 HD23 LEU 6 2HD2 LEU 6 -5.353 -3.877 -10.840 51 H GLU 7 H GLU 7 -8.476 0.555 -11.458 52 HA GLU 7 HA GLU 7 -6.389 2.397 -11.024 53 HB2 GLU 7 1HB GLU 7 -9.405 2.700 -10.855 54 HB3 GLU 7 2HB GLU 7 -8.330 4.073 -10.677 55 HG2 GLU 7 1HG GLU 7 -7.915 2.365 -13.117 56 HG3 GLU 7 2HG GLU 7 -9.403 3.300 -13.035 57 H LEU 8 H LEU 8 -8.915 1.419 -8.689 58 HA LEU 8 HA LEU 8 -7.722 3.009 -6.546 59 HB2 LEU 8 1HB LEU 8 -10.233 2.362 -7.038 60 HB3 LEU 8 2HB LEU 8 -9.867 0.914 -6.120 61 HG LEU 8 HG LEU 8 -8.952 3.449 -4.812 62 HD11 LEU 8 1HD1 LEU 8 -11.172 4.224 -4.171 63 HD12 LEU 8 2HD1 LEU 8 -11.931 2.984 -5.200 64 HD13 LEU 8 3HD1 LEU 8 -10.973 4.295 -5.927 65 HD21 LEU 8 3HD2 LEU 8 -8.993 1.308 -3.599 66 HD22 LEU 8 1HD2 LEU 8 -10.749 1.178 -3.863 67 HD23 LEU 8 2HD2 LEU 8 -10.089 2.484 -2.854 68 H ASP 9 H ASP 9 -7.546 -0.366 -7.574 69 HA ASP 9 HA ASP 9 -6.385 -1.534 -5.280 70 HB2 ASP 9 1HB ASP 9 -7.203 -2.695 -7.411 71 HB3 ASP 9 2HB ASP 9 -5.690 -2.206 -8.160 72 H LYS 10 H LYS 10 -4.735 0.111 -8.016 73 HA LYS 10 HA LYS 10 -2.046 -0.164 -7.006 74 HB2 LYS 10 1HB LYS 10 -3.192 2.113 -8.682 75 HB3 LYS 10 2HB LYS 10 -1.484 1.761 -8.442 76 HG2 LYS 10 1HG LYS 10 -3.494 0.133 -10.022 77 HG3 LYS 10 2HG LYS 10 -2.066 0.979 -10.599 78 HD2 LYS 10 1HD LYS 10 -0.669 -0.665 -9.193 79 HD3 LYS 10 2HD LYS 10 -2.176 -1.541 -8.895 80 HE2 LYS 10 1HE LYS 10 -1.234 -2.696 -10.686 81 HE3 LYS 10 2HE LYS 10 -2.474 -1.686 -11.431 82 HZ1 LYS 10 3HZ LYS 10 -0.355 -1.617 -12.650 83 HZ2 LYS 10 1HZ LYS 10 0.434 -1.045 -11.345 84 HZ3 LYS 10 2HZ LYS 10 -0.703 -0.128 -12.082 85 H TRP 11 H TRP 11 -4.466 2.328 -6.378 86 HA TRP 11 HA TRP 11 -2.791 3.913 -4.625 87 HB2 TRP 11 1HB TRP 11 -4.930 4.609 -5.855 88 HB3 TRP 11 2HB TRP 11 -5.820 3.823 -4.556 89 HD1 TRP 11 HD1 TRP 11 -6.113 5.197 -2.364 90 HE1 TRP 11 HE1 TRP 11 -5.344 7.515 -1.530 91 HE3 TRP 11 HE3 TRP 11 -2.800 6.356 -6.097 92 HZ2 TRP 11 HZ2 TRP 11 -3.512 9.576 -2.358 93 HZ3 TRP 11 HZ3 TRP 11 -1.545 8.506 -6.045 94 HH2 TRP 11 HH2 TRP 11 -1.891 10.116 -4.187 95 H ALA 12 H ALA 12 -4.974 1.156 -3.987 96 HA ALA 12 HA ALA 12 -4.836 1.273 -1.138 97 HB1 ALA 12 3HB ALA 12 -5.241 -1.171 -2.908 98 HB2 ALA 12 1HB ALA 12 -5.712 -0.987 -1.208 99 HB3 ALA 12 2HB ALA 12 -6.512 -0.012 -2.453 100 H SER 13 H SER 13 -2.512 -0.111 -3.472 101 HA SER 13 HA SER 13 -0.911 -1.543 -1.590 102 HB2 SER 13 1HB SER 13 -0.125 -0.198 -4.198 103 HB3 SER 13 2HB SER 13 0.942 -1.247 -3.246 104 HG SER 13 HG SER 13 -0.116 -2.476 -4.816 105 H LEU 14 H LEU 14 -0.986 1.940 -2.259 106 HA LEU 14 HA LEU 14 1.461 2.632 -0.919 107 HB2 LEU 14 1HB LEU 14 -0.961 4.059 -1.892 108 HB3 LEU 14 2HB LEU 14 -0.224 4.814 -0.498 109 HG LEU 14 HG LEU 14 1.257 4.149 -3.074 110 HD11 LEU 14 1HD1 LEU 14 1.074 6.469 -3.636 111 HD12 LEU 14 2HD1 LEU 14 0.371 6.880 -2.056 112 HD13 LEU 14 3HD1 LEU 14 -0.564 5.935 -3.230 113 HD21 LEU 14 3HD2 LEU 14 2.042 5.738 -0.582 114 HD22 LEU 14 1HD2 LEU 14 2.938 5.790 -2.115 115 HD23 LEU 14 2HD2 LEU 14 2.834 4.279 -1.211 116 H TRP 15 H TRP 15 -1.841 2.190 0.331 117 HA TRP 15 HA TRP 15 -1.313 2.945 3.053 118 HB2 TRP 15 1HB TRP 15 -3.415 1.297 1.655 119 HB3 TRP 15 2HB TRP 15 -3.259 1.150 3.391 120 HD1 TRP 15 HD1 TRP 15 -4.830 3.321 0.835 121 HE1 TRP 15 HE1 TRP 15 -5.956 5.347 1.973 122 HE3 TRP 15 HE3 TRP 15 -2.734 2.905 5.482 123 HZ2 TRP 15 HZ2 TRP 15 -5.951 6.606 4.571 124 HZ3 TRP 15 HZ3 TRP 15 -3.305 4.533 7.279 125 HH2 TRP 15 HH2 TRP 15 -4.911 6.377 6.836 126 H ASN 16 H ASN 16 -0.825 -0.130 1.349 127 HA ASN 16 HA ASN 16 -0.007 -1.589 3.718 128 HB2 ASN 16 1HB ASN 16 -0.679 -2.267 1.085 129 HB3 ASN 16 2HB ASN 16 1.051 -2.585 1.133 130 HD21 ASN 16 2HD2 ASN 16 1.786 -3.943 3.166 131 HD22 ASN 16 1HD2 ASN 16 0.637 -5.192 3.630 132 H TRP 17 H TRP 17 1.812 0.146 1.157 133 HA TRP 17 HA TRP 17 4.438 -0.385 2.139 134 HB2 TRP 17 1HB TRP 17 3.978 0.540 -0.084 135 HB3 TRP 17 2HB TRP 17 3.404 2.040 0.638 136 HD1 TRP 17 HD1 TRP 17 6.658 -0.070 0.645 137 HE1 TRP 17 HE1 TRP 17 8.691 1.514 0.671 138 HE3 TRP 17 HE3 TRP 17 4.201 4.426 0.905 139 HZ2 TRP 17 HZ2 TRP 17 9.184 4.342 0.765 140 HZ3 TRP 17 HZ3 TRP 17 5.487 6.554 0.953 141 HH2 TRP 17 HH2 TRP 17 7.970 6.526 0.883 142 H PHE 18 H PHE 18 2.141 2.177 3.126 143 HA PHE 18 HA PHE 18 3.864 3.621 4.844 144 HB2 PHE 18 1HB PHE 18 1.497 4.205 4.149 145 HB3 PHE 18 2HB PHE 18 0.920 3.063 5.357 146 HD1 PHE 18 HD2 PHE 18 2.605 6.308 4.782 147 HD2 PHE 18 HD1 PHE 18 1.119 3.582 7.779 148 HE1 PHE 18 HE2 PHE 18 2.832 8.079 6.510 149 HE2 PHE 18 HE1 PHE 18 1.361 5.351 9.505 150 HZ PHE 18 HZ PHE 18 2.218 7.600 8.873 151 H ASN 19 H ASN 19 2.354 0.465 5.402 152 HA ASN 19 HA ASN 19 3.024 0.417 8.243 153 HB2 ASN 19 1HB ASN 19 1.506 -1.245 6.434 154 HB3 ASN 19 2HB ASN 19 2.751 -2.255 7.154 155 HD21 ASN 19 2HD2 ASN 19 3.018 -1.620 9.734 156 HD22 ASN 19 1HD2 ASN 19 1.447 -1.624 10.530 157 H ILE 20 H ILE 20 4.639 -0.627 5.265 158 HA ILE 20 HA ILE 20 6.830 -2.053 6.464 159 HB ILE 20 HB ILE 20 6.756 -0.608 3.797 160 HG12 ILE 20 1HG1 ILE 20 4.962 -2.223 3.830 161 HG13 ILE 20 2HG1 ILE 20 6.265 -2.796 2.814 162 HG21 ILE 20 1HG2 ILE 20 8.543 -2.246 3.166 163 HG22 ILE 20 2HG2 ILE 20 9.045 -1.056 4.362 164 HG23 ILE 20 3HG2 ILE 20 8.668 -2.711 4.878 165 HD11 ILE 20 3HD1 ILE 20 6.998 -4.356 4.622 166 HD12 ILE 20 1HD1 ILE 20 5.641 -3.792 5.629 167 HD13 ILE 20 2HD1 ILE 20 5.328 -4.635 4.105 168 H THR 21 H THR 21 6.582 1.380 5.374 169 HA THR 21 HA THR 21 9.225 2.146 6.065 170 HB THR 21 HB THR 21 8.417 4.461 6.175 171 HG1 THR 21 HG1 THR 21 6.248 4.886 5.898 172 HG21 THR 21 3HG2 THR 21 7.143 2.916 3.873 173 HG22 THR 21 1HG2 THR 21 8.828 3.477 3.946 174 HG23 THR 21 2HG2 THR 21 7.502 4.651 3.905 175 H ASN 22 H ASN 22 6.380 1.928 8.149 176 HA ASN 22 HA ASN 22 7.800 2.950 10.501 177 HB2 ASN 22 1HB ASN 22 5.346 3.263 10.083 178 HB3 ASN 22 2HB ASN 22 5.114 1.524 10.312 179 HD21 ASN 22 2HD2 ASN 22 3.855 1.654 12.238 180 HD22 ASN 22 1HD2 ASN 22 4.522 2.346 13.712 181 H TRP 23 H TRP 23 6.776 -0.322 9.373 182 HA TRP 23 HA TRP 23 7.637 -1.790 11.629 183 HB2 TRP 23 1HB TRP 23 6.196 -2.612 9.763 184 HB3 TRP 23 2HB TRP 23 7.620 -2.713 8.737 185 HD1 TRP 23 HD1 TRP 23 7.108 -3.960 12.383 186 HE1 TRP 23 HE1 TRP 23 7.561 -6.484 12.492 187 HE3 TRP 23 HE3 TRP 23 8.087 -4.839 7.421 188 HZ2 TRP 23 HZ2 TRP 23 8.197 -8.613 10.678 189 HZ3 TRP 23 HZ3 TRP 23 8.623 -7.143 6.648 190 HH2 TRP 23 HH2 TRP 23 8.677 -9.031 8.260 191 H LEU 24 H LEU 24 9.550 -0.563 8.941 192 HA LEU 24 HA LEU 24 11.944 -1.959 9.268 193 HB2 LEU 24 1HB LEU 24 11.135 0.661 8.167 194 HB3 LEU 24 2HB LEU 24 12.728 0.739 8.871 195 HG LEU 24 HG LEU 24 12.964 0.314 6.565 196 HD11 LEU 24 1HD1 LEU 24 14.373 -1.592 6.506 197 HD12 LEU 24 2HD1 LEU 24 13.530 -2.381 7.847 198 HD13 LEU 24 3HD1 LEU 24 14.505 -0.923 8.142 199 HD21 LEU 24 3HD2 LEU 24 10.818 -0.629 6.005 200 HD22 LEU 24 1HD2 LEU 24 11.178 -2.123 6.895 201 HD23 LEU 24 2HD2 LEU 24 12.099 -1.704 5.432 202 H TRP 25 H TRP 25 10.776 0.694 11.347 203 HA TRP 25 HA TRP 25 13.148 0.891 12.986 204 HB2 TRP 25 1HB TRP 25 10.253 1.639 13.518 205 HB3 TRP 25 2HB TRP 25 11.574 1.975 14.620 206 HD1 TRP 25 HD1 TRP 25 9.658 3.692 12.161 207 HE1 TRP 25 HE1 TRP 25 10.864 5.795 11.264 208 HE3 TRP 25 HE3 TRP 25 14.417 2.650 13.754 209 HZ2 TRP 25 HZ2 TRP 25 13.536 6.870 11.252 210 HZ3 TRP 25 HZ3 TRP 25 16.275 4.225 13.278 211 HH2 TRP 25 HH2 TRP 25 15.851 6.334 12.037 212 H TYR 26 H TYR 26 10.427 -1.365 13.034 213 HA TYR 26 HA TYR 26 10.971 -2.390 15.695 214 HB2 TYR 26 1HB TYR 26 8.827 -2.531 14.008 215 HB3 TYR 26 2HB TYR 26 9.561 -4.092 13.682 216 HD1 TYR 26 HD1 TYR 26 10.062 -5.633 15.711 217 HD2 TYR 26 HD2 TYR 26 7.628 -2.088 15.968 218 HE1 TYR 26 HE1 TYR 26 9.173 -6.405 17.917 219 HE2 TYR 26 HE2 TYR 26 6.726 -2.864 18.171 220 HH TYR 26 HH TYR 26 7.051 -4.361 19.912 221 H ILE 27 H ILE 27 11.904 -3.244 12.385 222 HA ILE 27 HA ILE 27 13.357 -5.660 13.009 223 HB ILE 27 HB ILE 27 13.771 -3.795 10.640 224 HG12 ILE 27 1HG1 ILE 27 11.450 -4.387 10.598 225 HG13 ILE 27 2HG1 ILE 27 12.295 -5.287 9.368 226 HG21 ILE 27 1HG2 ILE 27 14.548 -5.907 9.508 227 HG22 ILE 27 2HG2 ILE 27 15.609 -5.346 10.799 228 HG23 ILE 27 3HG2 ILE 27 14.516 -6.714 11.090 229 HD11 ILE 27 3HD1 ILE 27 10.669 -6.722 10.415 230 HD12 ILE 27 1HD1 ILE 27 12.262 -7.311 10.903 231 HD13 ILE 27 2HD1 ILE 27 11.270 -6.355 12.037 232 H LYS 28 H LYS 28 14.477 -2.325 12.447 233 HA LYS 28 HA LYS 28 17.144 -2.976 13.652 234 HB2 LYS 28 1HB LYS 28 16.290 -1.296 11.355 235 HB3 LYS 28 2HB LYS 28 17.485 -0.532 12.392 236 HG2 LYS 28 1HG LYS 28 17.822 -3.335 11.271 237 HG3 LYS 28 2HG LYS 28 18.425 -1.880 10.478 238 HD2 LYS 28 1HD LYS 28 20.244 -1.747 11.820 239 HD3 LYS 28 2HD LYS 28 19.272 -1.876 13.274 240 HE2 LYS 28 1HE LYS 28 20.712 -3.720 13.387 241 HE3 LYS 28 2HE LYS 28 19.146 -4.380 12.906 242 HZ1 LYS 28 3HZ LYS 28 20.020 -4.310 10.561 243 HZ2 LYS 28 1HZ LYS 28 20.841 -5.338 11.527 244 HZ3 LYS 28 2HZ LYS 28 21.490 -3.894 11.143 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 -9.762 -6.894 -14.142 2 H2 ASN 1 2H ASN 1 -9.906 -8.485 -14.507 3 H3 ASN 1 3H ASN 1 -10.287 -7.353 -15.622 4 HA ASN 1 HA ASN 1 -12.279 -8.300 -14.738 5 HB2 ASN 1 1HB ASN 1 -11.059 -7.542 -12.072 6 HB3 ASN 1 2HB ASN 1 -12.813 -7.609 -12.275 7 HD21 ASN 1 2HD2 ASN 1 -10.433 -9.554 -11.073 8 HD22 ASN 1 1HD2 ASN 1 -11.117 -11.086 -11.588 9 H GLU 2 H GLU 2 -11.712 -5.287 -12.812 10 HA GLU 2 HA GLU 2 -13.209 -3.779 -14.909 11 HB2 GLU 2 1HB GLU 2 -13.925 -4.010 -11.959 12 HB3 GLU 2 2HB GLU 2 -14.463 -2.679 -12.990 13 HG2 GLU 2 1HG GLU 2 -15.559 -4.283 -14.528 14 HG3 GLU 2 2HG GLU 2 -15.055 -5.621 -13.488 15 H GLN 3 H GLN 3 -12.914 -1.612 -14.968 16 HA GLN 3 HA GLN 3 -10.403 -0.516 -14.315 17 HB2 GLN 3 1HB GLN 3 -11.327 1.576 -15.148 18 HB3 GLN 3 2HB GLN 3 -11.767 0.211 -16.159 19 HG2 GLN 3 1HG GLN 3 -14.011 0.271 -14.637 20 HG3 GLN 3 2HG GLN 3 -13.508 1.942 -14.408 21 HE21 GLN 3 2HE2 GLN 3 -14.599 3.293 -15.911 22 HE22 GLN 3 1HE2 GLN 3 -15.023 2.749 -17.531 23 H GLU 4 H GLU 4 -13.429 -0.355 -12.442 24 HA GLU 4 HA GLU 4 -12.594 1.585 -10.497 25 HB2 GLU 4 1HB GLU 4 -14.552 -0.739 -10.349 26 HB3 GLU 4 2HB GLU 4 -14.257 0.372 -9.000 27 HG2 GLU 4 1HG GLU 4 -14.850 2.294 -10.476 28 HG3 GLU 4 2HG GLU 4 -15.282 1.158 -11.757 29 H LEU 5 H LEU 5 -12.058 -1.943 -10.632 30 HA LEU 5 HA LEU 5 -10.762 -2.097 -8.037 31 HB2 LEU 5 1HB LEU 5 -11.467 -3.964 -10.171 32 HB3 LEU 5 2HB LEU 5 -9.763 -4.145 -9.782 33 HG LEU 5 HG LEU 5 -10.436 -4.275 -7.313 34 HD11 LEU 5 1HD1 LEU 5 -12.748 -4.950 -6.829 35 HD12 LEU 5 2HD1 LEU 5 -13.192 -4.755 -8.539 36 HD13 LEU 5 3HD1 LEU 5 -12.740 -3.340 -7.565 37 HD21 LEU 5 3HD2 LEU 5 -9.781 -6.256 -8.591 38 HD22 LEU 5 1HD2 LEU 5 -11.438 -6.433 -9.215 39 HD23 LEU 5 2HD2 LEU 5 -11.103 -6.645 -7.481 40 H LEU 6 H LEU 6 -9.571 -1.716 -11.372 41 HA LEU 6 HA LEU 6 -6.790 -1.640 -10.743 42 HB2 LEU 6 1HB LEU 6 -8.495 -1.140 -13.094 43 HB3 LEU 6 2HB LEU 6 -7.192 0.032 -12.999 44 HG LEU 6 HG LEU 6 -5.552 -1.873 -12.733 45 HD11 LEU 6 1HD1 LEU 6 -7.125 -3.640 -11.981 46 HD12 LEU 6 2HD1 LEU 6 -6.288 -4.122 -13.463 47 HD13 LEU 6 3HD1 LEU 6 -7.973 -3.555 -13.540 48 HD21 LEU 6 3HD2 LEU 6 -5.941 -0.737 -14.896 49 HD22 LEU 6 1HD2 LEU 6 -7.244 -1.888 -15.269 50 HD23 LEU 6 2HD2 LEU 6 -5.563 -2.451 -15.114 51 H GLU 7 H GLU 7 -9.146 1.067 -10.753 52 HA GLU 7 HA GLU 7 -7.201 3.132 -10.272 53 HB2 GLU 7 1HB GLU 7 -10.115 2.993 -9.382 54 HB3 GLU 7 2HB GLU 7 -9.057 4.392 -9.196 55 HG2 GLU 7 1HG GLU 7 -8.681 4.042 -11.826 56 HG3 GLU 7 2HG GLU 7 -10.257 3.264 -11.706 57 H LEU 8 H LEU 8 -8.928 1.020 -7.955 58 HA LEU 8 HA LEU 8 -7.550 2.199 -5.669 59 HB2 LEU 8 1HB LEU 8 -9.861 0.596 -6.000 60 HB3 LEU 8 2HB LEU 8 -8.703 -0.454 -5.195 61 HG LEU 8 HG LEU 8 -8.294 1.504 -3.548 62 HD11 LEU 8 1HD1 LEU 8 -10.930 2.450 -4.774 63 HD12 LEU 8 2HD1 LEU 8 -9.375 3.291 -4.922 64 HD13 LEU 8 3HD1 LEU 8 -10.141 3.130 -3.335 65 HD21 LEU 8 3HD2 LEU 8 -10.244 0.950 -2.190 66 HD22 LEU 8 1HD2 LEU 8 -9.602 -0.509 -2.959 67 HD23 LEU 8 2HD2 LEU 8 -11.073 0.258 -3.606 68 H ASP 9 H ASP 9 -6.883 -0.545 -7.773 69 HA ASP 9 HA ASP 9 -5.012 -1.965 -6.254 70 HB2 ASP 9 1HB ASP 9 -5.955 -2.587 -8.525 71 HB3 ASP 9 2HB ASP 9 -4.840 -1.435 -9.247 72 H LYS 10 H LYS 10 -4.432 0.890 -8.264 73 HA LYS 10 HA LYS 10 -1.581 1.163 -7.856 74 HB2 LYS 10 1HB LYS 10 -3.810 3.095 -8.597 75 HB3 LYS 10 2HB LYS 10 -2.127 3.618 -8.483 76 HG2 LYS 10 1HG LYS 10 -1.436 2.442 -10.336 77 HG3 LYS 10 2HG LYS 10 -2.646 1.168 -10.148 78 HD2 LYS 10 1HD LYS 10 -4.421 2.635 -10.934 79 HD3 LYS 10 2HD LYS 10 -3.287 3.994 -11.096 80 HE2 LYS 10 1HE LYS 10 -2.086 2.939 -12.857 81 HE3 LYS 10 2HE LYS 10 -2.760 1.348 -12.490 82 HZ1 LYS 10 3HZ LYS 10 -3.791 2.357 -14.460 83 HZ2 LYS 10 1HZ LYS 10 -4.351 3.610 -13.575 84 HZ3 LYS 10 2HZ LYS 10 -4.903 2.095 -13.295 85 H TRP 11 H TRP 11 -4.338 2.494 -6.073 86 HA TRP 11 HA TRP 11 -2.733 3.948 -4.131 87 HB2 TRP 11 1HB TRP 11 -5.604 3.434 -4.614 88 HB3 TRP 11 2HB TRP 11 -5.181 3.473 -2.914 89 HD1 TRP 11 HD1 TRP 11 -5.665 5.725 -1.966 90 HE1 TRP 11 HE1 TRP 11 -5.296 8.187 -2.626 91 HE3 TRP 11 HE3 TRP 11 -3.732 5.051 -6.680 92 HZ2 TRP 11 HZ2 TRP 11 -4.210 9.654 -4.842 93 HZ3 TRP 11 HZ3 TRP 11 -3.000 7.003 -8.019 94 HH2 TRP 11 HH2 TRP 11 -3.226 9.305 -7.115 95 H ALA 12 H ALA 12 -4.140 0.669 -4.129 96 HA ALA 12 HA ALA 12 -3.563 -0.058 -1.488 97 HB1 ALA 12 3HB ALA 12 -3.703 -2.352 -2.261 98 HB2 ALA 12 1HB ALA 12 -4.925 -1.372 -3.092 99 HB3 ALA 12 2HB ALA 12 -3.437 -1.852 -3.941 100 H SER 13 H SER 13 -1.286 0.058 -4.241 101 HA SER 13 HA SER 13 0.936 -1.233 -3.059 102 HB2 SER 13 1HB SER 13 0.933 1.135 -4.972 103 HB3 SER 13 2HB SER 13 2.327 0.108 -4.594 104 HG SER 13 HG SER 13 1.233 -0.552 -6.514 105 H LEU 14 H LEU 14 0.253 2.303 -3.056 106 HA LEU 14 HA LEU 14 2.311 2.974 -1.148 107 HB2 LEU 14 1HB LEU 14 -0.053 4.350 -2.399 108 HB3 LEU 14 2HB LEU 14 0.557 5.040 -0.906 109 HG LEU 14 HG LEU 14 2.387 4.474 -3.270 110 HD11 LEU 14 1HD1 LEU 14 0.955 7.066 -2.539 111 HD12 LEU 14 2HD1 LEU 14 0.639 6.061 -3.972 112 HD13 LEU 14 3HD1 LEU 14 2.199 6.879 -3.795 113 HD21 LEU 14 3HD2 LEU 14 2.641 6.297 -0.825 114 HD22 LEU 14 1HD2 LEU 14 3.821 6.173 -2.145 115 HD23 LEU 14 2HD2 LEU 14 3.536 4.788 -1.091 116 H TRP 15 H TRP 15 -1.145 2.222 -0.743 117 HA TRP 15 HA TRP 15 -1.362 2.837 2.013 118 HB2 TRP 15 1HB TRP 15 -3.208 2.375 0.354 119 HB3 TRP 15 2HB TRP 15 -2.869 0.656 0.533 120 HD1 TRP 15 HD1 TRP 15 -3.726 -0.518 2.726 121 HE1 TRP 15 HE1 TRP 15 -5.312 0.195 4.635 122 HE3 TRP 15 HE3 TRP 15 -3.947 4.511 1.774 123 HZ2 TRP 15 HZ2 TRP 15 -6.503 2.627 5.617 124 HZ3 TRP 15 HZ3 TRP 15 -5.318 6.008 3.215 125 HH2 TRP 15 HH2 TRP 15 -6.594 5.080 5.133 126 H ASN 16 H ASN 16 -0.692 -0.392 0.542 127 HA ASN 16 HA ASN 16 -0.129 -1.674 3.073 128 HB2 ASN 16 1HB ASN 16 0.421 -2.406 0.170 129 HB3 ASN 16 2HB ASN 16 0.990 -3.388 1.516 130 HD21 ASN 16 2HD2 ASN 16 -0.302 -5.212 1.436 131 HD22 ASN 16 1HD2 ASN 16 -2.059 -5.115 1.480 132 H TRP 17 H TRP 17 1.990 0.016 0.705 133 HA TRP 17 HA TRP 17 4.475 -0.640 1.914 134 HB2 TRP 17 1HB TRP 17 4.353 0.441 -0.253 135 HB3 TRP 17 2HB TRP 17 3.632 1.880 0.459 136 HD1 TRP 17 HD1 TRP 17 6.948 -0.098 0.651 137 HE1 TRP 17 HE1 TRP 17 8.884 1.538 1.065 138 HE3 TRP 17 HE3 TRP 17 4.252 4.218 1.272 139 HZ2 TRP 17 HZ2 TRP 17 9.226 4.337 1.600 140 HZ3 TRP 17 HZ3 TRP 17 5.423 6.362 1.759 141 HH2 TRP 17 HH2 TRP 17 7.900 6.433 1.920 142 H PHE 18 H PHE 18 2.199 2.004 2.770 143 HA PHE 18 HA PHE 18 3.700 3.363 4.665 144 HB2 PHE 18 1HB PHE 18 1.349 3.837 3.792 145 HB3 PHE 18 2HB PHE 18 0.755 2.720 5.011 146 HD1 PHE 18 HD2 PHE 18 2.543 5.934 4.446 147 HD2 PHE 18 HD1 PHE 18 0.579 3.413 7.345 148 HE1 PHE 18 HE2 PHE 18 2.545 7.807 6.079 149 HE2 PHE 18 HE1 PHE 18 0.584 5.288 8.974 150 HZ PHE 18 HZ PHE 18 1.565 7.486 8.344 151 H ASN 19 H ASN 19 2.036 0.277 5.171 152 HA ASN 19 HA ASN 19 2.494 0.056 8.010 153 HB2 ASN 19 1HB ASN 19 1.303 -1.548 5.895 154 HB3 ASN 19 2HB ASN 19 2.437 -2.555 6.775 155 HD21 ASN 19 2HD2 ASN 19 2.146 -2.723 9.184 156 HD22 ASN 19 1HD2 ASN 19 0.510 -2.490 9.787 157 H ILE 20 H ILE 20 4.383 -1.028 5.191 158 HA ILE 20 HA ILE 20 6.546 -2.273 6.638 159 HB ILE 20 HB ILE 20 6.565 -1.085 3.847 160 HG12 ILE 20 1HG1 ILE 20 4.821 -2.747 3.919 161 HG13 ILE 20 2HG1 ILE 20 6.204 -3.382 3.055 162 HG21 ILE 20 1HG2 ILE 20 8.832 -1.403 4.602 163 HG22 ILE 20 2HG2 ILE 20 8.468 -3.034 5.196 164 HG23 ILE 20 3HG2 ILE 20 8.436 -2.679 3.454 165 HD11 ILE 20 3HD1 ILE 20 5.415 -4.106 5.911 166 HD12 ILE 20 1HD1 ILE 20 5.223 -5.108 4.465 167 HD13 ILE 20 2HD1 ILE 20 6.849 -4.728 5.058 168 H THR 21 H THR 21 6.143 1.079 5.315 169 HA THR 21 HA THR 21 8.647 2.073 6.060 170 HB THR 21 HB THR 21 6.350 3.950 6.464 171 HG1 THR 21 HG1 THR 21 6.216 4.079 4.127 172 HG21 THR 21 3HG2 THR 21 7.739 5.378 5.031 173 HG22 THR 21 1HG2 THR 21 8.808 4.010 4.654 174 HG23 THR 21 2HG2 THR 21 8.758 4.679 6.305 175 H ASN 22 H ASN 22 5.752 1.724 8.085 176 HA ASN 22 HA ASN 22 6.974 2.891 10.470 177 HB2 ASN 22 1HB ASN 22 4.542 2.925 10.094 178 HB3 ASN 22 2HB ASN 22 4.485 1.160 10.090 179 HD21 ASN 22 2HD2 ASN 22 4.167 0.142 12.093 180 HD22 ASN 22 1HD2 ASN 22 4.326 1.006 13.617 181 H TRP 23 H TRP 23 6.364 -0.475 9.351 182 HA TRP 23 HA TRP 23 7.317 -1.838 11.623 183 HB2 TRP 23 1HB TRP 23 6.000 -2.741 9.668 184 HB3 TRP 23 2HB TRP 23 7.496 -2.788 8.747 185 HD1 TRP 23 HD1 TRP 23 6.765 -4.018 12.366 186 HE1 TRP 23 HE1 TRP 23 7.264 -6.528 12.524 187 HE3 TRP 23 HE3 TRP 23 8.215 -4.879 7.518 188 HZ2 TRP 23 HZ2 TRP 23 8.079 -8.650 10.776 189 HZ3 TRP 23 HZ3 TRP 23 8.870 -7.171 6.805 190 HH2 TRP 23 HH2 TRP 23 8.794 -9.060 8.415 191 H LEU 24 H LEU 24 9.196 -0.430 9.011 192 HA LEU 24 HA LEU 24 11.686 -1.616 9.329 193 HB2 LEU 24 1HB LEU 24 10.633 0.856 8.216 194 HB3 LEU 24 2HB LEU 24 12.100 1.237 9.078 195 HG LEU 24 HG LEU 24 12.567 0.857 6.760 196 HD11 LEU 24 1HD1 LEU 24 13.656 -1.519 8.322 197 HD12 LEU 24 2HD1 LEU 24 14.285 0.141 8.397 198 HD13 LEU 24 3HD1 LEU 24 14.353 -0.766 6.877 199 HD21 LEU 24 3HD2 LEU 24 12.251 -1.286 5.633 200 HD22 LEU 24 1HD2 LEU 24 10.705 -0.621 6.182 201 HD23 LEU 24 2HD2 LEU 24 11.458 -1.959 7.073 202 H TRP 25 H TRP 25 10.331 0.917 11.432 203 HA TRP 25 HA TRP 25 12.620 1.234 13.172 204 HB2 TRP 25 1HB TRP 25 9.658 1.839 13.408 205 HB3 TRP 25 2HB TRP 25 10.716 1.997 14.788 206 HD1 TRP 25 HD1 TRP 25 10.081 3.620 11.382 207 HE1 TRP 25 HE1 TRP 25 11.136 5.977 11.389 208 HE3 TRP 25 HE3 TRP 25 12.575 3.387 15.850 209 HZ2 TRP 25 HZ2 TRP 25 12.816 7.554 13.123 210 HZ3 TRP 25 HZ3 TRP 25 13.889 5.336 16.665 211 HH2 TRP 25 HH2 TRP 25 14.014 7.419 15.316 212 H TYR 26 H TYR 26 9.929 -1.076 13.169 213 HA TYR 26 HA TYR 26 10.443 -2.152 15.802 214 HB2 TYR 26 1HB TYR 26 8.313 -2.224 14.166 215 HB3 TYR 26 2HB TYR 26 9.043 -3.740 13.664 216 HD1 TYR 26 HD2 TYR 26 7.813 -1.778 16.574 217 HD2 TYR 26 HD1 TYR 26 8.831 -5.697 15.095 218 HE1 TYR 26 HE2 TYR 26 6.808 -2.805 18.618 219 HE2 TYR 26 HE1 TYR 26 7.819 -6.726 17.138 220 HH TYR 26 HH TYR 26 6.346 -4.744 19.734 221 H ILE 27 H ILE 27 11.415 -3.059 12.507 222 HA ILE 27 HA ILE 27 12.892 -5.450 13.203 223 HB ILE 27 HB ILE 27 13.206 -3.569 10.827 224 HG12 ILE 27 1HG1 ILE 27 10.991 -4.444 10.732 225 HG13 ILE 27 2HG1 ILE 27 11.961 -5.313 9.573 226 HG21 ILE 27 1HG2 ILE 27 14.267 -5.532 9.691 227 HG22 ILE 27 2HG2 ILE 27 15.231 -4.871 11.006 228 HG23 ILE 27 3HG2 ILE 27 14.317 -6.371 11.257 229 HD11 ILE 27 3HD1 ILE 27 12.145 -7.200 11.325 230 HD12 ILE 27 1HD1 ILE 27 10.913 -6.302 12.255 231 HD13 ILE 27 2HD1 ILE 27 10.547 -6.907 10.636 232 H LYS 28 H LYS 28 13.923 -2.140 12.613 233 HA LYS 28 HA LYS 28 15.758 -0.910 13.025 234 HB2 LYS 28 1HB LYS 28 14.816 -1.662 15.423 235 HB3 LYS 28 2HB LYS 28 16.430 -2.311 15.602 236 HG2 LYS 28 1HG LYS 28 15.782 0.550 14.755 237 HG3 LYS 28 2HG LYS 28 15.990 0.075 16.427 238 HD2 LYS 28 1HD LYS 28 18.260 -0.526 14.525 239 HD3 LYS 28 2HD LYS 28 17.959 1.150 14.985 240 HE2 LYS 28 1HE LYS 28 18.050 0.525 17.386 241 HE3 LYS 28 2HE LYS 28 18.421 -1.145 16.938 242 HZ1 LYS 28 3HZ LYS 28 20.102 1.209 16.237 243 HZ2 LYS 28 1HZ LYS 28 20.467 -0.349 15.898 244 HZ3 LYS 28 2HZ LYS 28 20.428 0.167 17.447 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 -15.396 -6.616 -14.366 2 H2 ASN 1 2H ASN 1 -15.417 -6.052 -15.908 3 H3 ASN 1 3H ASN 1 -14.115 -6.869 -15.357 4 HA ASN 1 HA ASN 1 -13.650 -4.512 -15.470 5 HB2 ASN 1 1HB ASN 1 -15.890 -4.228 -13.425 6 HB3 ASN 1 2HB ASN 1 -14.799 -2.948 -13.967 7 HD21 ASN 1 2HD2 ASN 1 -17.737 -2.875 -14.201 8 HD22 ASN 1 1HD2 ASN 1 -18.050 -2.840 -15.929 9 H GLU 2 H GLU 2 -11.726 -5.398 -14.795 10 HA GLU 2 HA GLU 2 -11.274 -5.603 -11.831 11 HB2 GLU 2 1HB GLU 2 -10.861 -7.554 -13.883 12 HB3 GLU 2 2HB GLU 2 -9.265 -7.007 -13.410 13 HG2 GLU 2 1HG GLU 2 -11.399 -7.946 -11.444 14 HG3 GLU 2 2HG GLU 2 -10.207 -9.009 -12.177 15 H GLN 3 H GLN 3 -9.357 -5.116 -14.817 16 HA GLN 3 HA GLN 3 -7.332 -3.540 -13.752 17 HB2 GLN 3 1HB GLN 3 -6.761 -3.009 -16.025 18 HB3 GLN 3 2HB GLN 3 -7.328 -4.673 -15.927 19 HG2 GLN 3 1HG GLN 3 -9.662 -3.668 -16.668 20 HG3 GLN 3 2HG GLN 3 -8.712 -2.264 -17.148 21 HE21 GLN 3 2HE2 GLN 3 -9.470 -5.664 -17.877 22 HE22 GLN 3 1HE2 GLN 3 -8.591 -5.673 -19.398 23 H GLU 4 H GLU 4 -10.511 -2.372 -14.840 24 HA GLU 4 HA GLU 4 -9.850 0.460 -14.692 25 HB2 GLU 4 1HB GLU 4 -12.519 -1.010 -14.646 26 HB3 GLU 4 2HB GLU 4 -12.353 0.750 -14.602 27 HG2 GLU 4 1HG GLU 4 -10.972 0.568 -16.748 28 HG3 GLU 4 2HG GLU 4 -11.517 -1.109 -16.854 29 H LEU 5 H LEU 5 -11.053 -1.872 -12.300 30 HA LEU 5 HA LEU 5 -11.505 0.185 -10.243 31 HB2 LEU 5 1HB LEU 5 -12.806 -1.949 -10.444 32 HB3 LEU 5 2HB LEU 5 -11.360 -2.849 -9.992 33 HG LEU 5 HG LEU 5 -11.976 -0.645 -8.095 34 HD11 LEU 5 1HD1 LEU 5 -14.015 -2.881 -8.398 35 HD12 LEU 5 2HD1 LEU 5 -14.287 -1.151 -8.712 36 HD13 LEU 5 3HD1 LEU 5 -13.935 -1.702 -7.066 37 HD21 LEU 5 3HD2 LEU 5 -10.375 -2.496 -7.632 38 HD22 LEU 5 1HD2 LEU 5 -11.718 -3.658 -7.703 39 HD23 LEU 5 2HD2 LEU 5 -11.675 -2.416 -6.432 40 H LEU 6 H LEU 6 -8.952 -2.044 -11.213 41 HA LEU 6 HA LEU 6 -7.272 -1.885 -9.008 42 HB2 LEU 6 1HB LEU 6 -7.162 -3.127 -11.469 43 HB3 LEU 6 2HB LEU 6 -5.907 -1.913 -11.657 44 HG LEU 6 HG LEU 6 -4.993 -2.788 -9.370 45 HD11 LEU 6 1HD1 LEU 6 -6.781 -5.139 -10.163 46 HD12 LEU 6 2HD1 LEU 6 -7.035 -4.103 -8.748 47 HD13 LEU 6 3HD1 LEU 6 -5.594 -5.124 -8.842 48 HD21 LEU 6 3HD2 LEU 6 -4.981 -4.604 -11.821 49 HD22 LEU 6 1HD2 LEU 6 -3.825 -4.673 -10.471 50 HD23 LEU 6 2HD2 LEU 6 -3.881 -3.241 -11.513 51 H GLU 7 H GLU 7 -7.727 0.545 -11.480 52 HA GLU 7 HA GLU 7 -5.485 2.247 -11.065 53 HB2 GLU 7 1HB GLU 7 -8.262 2.544 -12.118 54 HB3 GLU 7 2HB GLU 7 -7.514 4.027 -11.579 55 HG2 GLU 7 1HG GLU 7 -6.252 2.093 -13.565 56 HG3 GLU 7 2HG GLU 7 -7.209 3.504 -14.015 57 H LEU 8 H LEU 8 -8.543 2.034 -9.267 58 HA LEU 8 HA LEU 8 -7.780 4.159 -7.378 59 HB2 LEU 8 1HB LEU 8 -10.166 3.317 -8.356 60 HB3 LEU 8 2HB LEU 8 -10.144 2.364 -6.882 61 HG LEU 8 HG LEU 8 -9.660 5.386 -6.945 62 HD11 LEU 8 1HD1 LEU 8 -12.034 5.672 -6.367 63 HD12 LEU 8 2HD1 LEU 8 -12.302 3.923 -6.567 64 HD13 LEU 8 3HD1 LEU 8 -11.842 4.930 -7.959 65 HD21 LEU 8 3HD2 LEU 8 -10.599 3.535 -4.708 66 HD22 LEU 8 1HD2 LEU 8 -10.450 5.302 -4.599 67 HD23 LEU 8 2HD2 LEU 8 -9.005 4.317 -4.823 68 H ASP 9 H ASP 9 -7.961 0.612 -7.454 69 HA ASP 9 HA ASP 9 -7.449 0.047 -4.744 70 HB2 ASP 9 1HB ASP 9 -8.100 -1.550 -6.647 71 HB3 ASP 9 2HB ASP 9 -6.380 -1.602 -7.047 72 H LYS 10 H LYS 10 -5.100 1.000 -7.211 73 HA LYS 10 HA LYS 10 -2.641 0.376 -5.954 74 HB2 LYS 10 1HB LYS 10 -3.521 2.702 -7.696 75 HB3 LYS 10 2HB LYS 10 -1.848 2.534 -7.167 76 HG2 LYS 10 1HG LYS 10 -1.443 0.625 -8.422 77 HG3 LYS 10 2HG LYS 10 -3.137 0.133 -8.455 78 HD2 LYS 10 1HD LYS 10 -3.680 2.019 -9.938 79 HD3 LYS 10 2HD LYS 10 -1.981 2.492 -10.018 80 HE2 LYS 10 1HE LYS 10 -2.932 -0.315 -10.738 81 HE3 LYS 10 2HE LYS 10 -3.009 0.995 -11.919 82 HZ1 LYS 10 3HZ LYS 10 -0.652 1.253 -11.822 83 HZ2 LYS 10 1HZ LYS 10 -0.924 -0.340 -12.023 84 HZ3 LYS 10 2HZ LYS 10 -0.484 0.230 -10.558 85 H TRP 11 H TRP 11 -4.644 3.278 -5.411 86 HA TRP 11 HA TRP 11 -2.923 4.470 -3.435 87 HB2 TRP 11 1HB TRP 11 -5.918 4.816 -3.802 88 HB3 TRP 11 2HB TRP 11 -4.838 5.895 -2.930 89 HD1 TRP 11 HD1 TRP 11 -6.609 5.856 -5.976 90 HE1 TRP 11 HE1 TRP 11 -5.538 7.286 -7.835 91 HE3 TRP 11 HE3 TRP 11 -1.907 6.423 -3.989 92 HZ2 TRP 11 HZ2 TRP 11 -2.993 8.499 -8.387 93 HZ3 TRP 11 HZ3 TRP 11 -0.176 7.704 -5.221 94 HH2 TRP 11 HH2 TRP 11 -0.704 8.749 -7.411 95 H ALA 12 H ALA 12 -5.682 2.227 -3.128 96 HA ALA 12 HA ALA 12 -5.723 2.173 -0.247 97 HB1 ALA 12 3HB ALA 12 -7.615 1.446 -1.654 98 HB2 ALA 12 1HB ALA 12 -6.653 0.079 -2.260 99 HB3 ALA 12 2HB ALA 12 -7.097 0.162 -0.545 100 H SER 13 H SER 13 -3.939 0.225 -2.650 101 HA SER 13 HA SER 13 -2.672 -1.576 -0.819 102 HB2 SER 13 1HB SER 13 -2.813 -1.718 -3.369 103 HB3 SER 13 2HB SER 13 -1.446 -0.589 -3.418 104 HG SER 13 HG SER 13 -0.920 -2.907 -3.431 105 H LEU 14 H LEU 14 -1.554 1.554 -2.142 106 HA LEU 14 HA LEU 14 0.905 1.778 -0.731 107 HB2 LEU 14 1HB LEU 14 -1.019 3.656 -2.079 108 HB3 LEU 14 2HB LEU 14 0.186 4.378 -1.031 109 HG LEU 14 HG LEU 14 1.028 2.380 -3.157 110 HD11 LEU 14 1HD1 LEU 14 0.651 5.385 -3.508 111 HD12 LEU 14 2HD1 LEU 14 -0.256 4.097 -4.337 112 HD13 LEU 14 3HD1 LEU 14 1.474 4.301 -4.654 113 HD21 LEU 14 3HD2 LEU 14 3.155 3.616 -3.001 114 HD22 LEU 14 1HD2 LEU 14 2.673 3.059 -1.392 115 HD23 LEU 14 2HD2 LEU 14 2.436 4.758 -1.846 116 H TRP 15 H TRP 15 -2.363 2.329 0.439 117 HA TRP 15 HA TRP 15 -1.761 3.779 2.809 118 HB2 TRP 15 1HB TRP 15 -4.046 2.955 1.624 119 HB3 TRP 15 2HB TRP 15 -3.955 1.735 2.885 120 HD1 TRP 15 HD1 TRP 15 -4.581 2.538 5.319 121 HE1 TRP 15 HE1 TRP 15 -5.441 4.756 6.321 122 HE3 TRP 15 HE3 TRP 15 -3.789 5.601 1.298 123 HZ2 TRP 15 HZ2 TRP 15 -5.725 7.503 5.481 124 HZ3 TRP 15 HZ3 TRP 15 -4.352 8.023 1.424 125 HH2 TRP 15 HH2 TRP 15 -5.317 8.981 3.504 126 H ASN 16 H ASN 16 -1.818 0.264 2.233 127 HA ASN 16 HA ASN 16 -1.037 -0.446 4.948 128 HB2 ASN 16 1HB ASN 16 -1.984 -1.835 2.636 129 HB3 ASN 16 2HB ASN 16 -0.376 -2.472 2.940 130 HD21 ASN 16 2HD2 ASN 16 -3.673 -2.518 3.976 131 HD22 ASN 16 1HD2 ASN 16 -3.392 -3.508 5.403 132 H TRP 17 H TRP 17 0.745 0.082 1.905 133 HA TRP 17 HA TRP 17 3.324 -0.723 2.753 134 HB2 TRP 17 1HB TRP 17 2.703 -0.178 0.427 135 HB3 TRP 17 2HB TRP 17 2.603 1.527 0.855 136 HD1 TRP 17 HD1 TRP 17 5.213 -1.302 0.682 137 HE1 TRP 17 HE1 TRP 17 7.535 -0.285 0.209 138 HE3 TRP 17 HE3 TRP 17 3.990 3.676 0.881 139 HZ2 TRP 17 HZ2 TRP 17 8.698 2.329 -0.060 140 HZ3 TRP 17 HZ3 TRP 17 5.735 5.410 0.506 141 HH2 TRP 17 HH2 TRP 17 8.083 4.751 0.035 142 H PHE 18 H PHE 18 1.642 2.323 3.471 143 HA PHE 18 HA PHE 18 3.793 3.802 4.529 144 HB2 PHE 18 1HB PHE 18 1.216 4.344 4.169 145 HB3 PHE 18 2HB PHE 18 1.095 3.913 5.866 146 HD1 PHE 18 HD2 PHE 18 2.581 5.223 7.559 147 HD2 PHE 18 HD1 PHE 18 2.077 6.422 3.443 148 HE1 PHE 18 HE2 PHE 18 3.426 7.493 8.110 149 HE2 PHE 18 HE1 PHE 18 2.909 8.691 4.003 150 HZ PHE 18 HZ PHE 18 3.591 9.229 6.335 151 H ASN 19 H ASN 19 1.904 1.218 6.094 152 HA ASN 19 HA ASN 19 3.141 1.490 8.715 153 HB2 ASN 19 1HB ASN 19 0.931 0.397 8.359 154 HB3 ASN 19 2HB ASN 19 1.709 -0.878 7.419 155 HD21 ASN 19 2HD2 ASN 19 1.482 0.542 10.708 156 HD22 ASN 19 1HD2 ASN 19 2.060 -0.925 11.488 157 H ILE 20 H ILE 20 3.806 -0.495 5.830 158 HA ILE 20 HA ILE 20 5.927 -2.072 6.877 159 HB ILE 20 HB ILE 20 5.547 -1.193 4.005 160 HG12 ILE 20 1HG1 ILE 20 3.518 -2.287 4.742 161 HG13 ILE 20 2HG1 ILE 20 4.415 -3.343 3.678 162 HG21 ILE 20 1HG2 ILE 20 6.781 -3.308 3.484 163 HG22 ILE 20 2HG2 ILE 20 7.771 -2.076 4.266 164 HG23 ILE 20 3HG2 ILE 20 7.180 -3.458 5.210 165 HD11 ILE 20 3HD1 ILE 20 5.208 -4.664 5.642 166 HD12 ILE 20 1HD1 ILE 20 4.264 -3.599 6.715 167 HD13 ILE 20 2HD1 ILE 20 3.444 -4.610 5.517 168 H THR 21 H THR 21 6.132 1.160 5.246 169 HA THR 21 HA THR 21 8.949 1.402 5.351 170 HB THR 21 HB THR 21 8.207 4.000 5.838 171 HG1 THR 21 HG1 THR 21 5.985 3.489 5.877 172 HG21 THR 21 3HG2 THR 21 8.087 2.557 3.168 173 HG22 THR 21 1HG2 THR 21 9.550 3.211 3.950 174 HG23 THR 21 2HG2 THR 21 8.266 4.309 3.417 175 H ASN 22 H ASN 22 6.640 2.065 7.999 176 HA ASN 22 HA ASN 22 8.823 2.951 9.766 177 HB2 ASN 22 1HB ASN 22 6.441 3.831 9.832 178 HB3 ASN 22 2HB ASN 22 5.954 2.287 10.539 179 HD21 ASN 22 2HD2 ASN 22 6.422 1.956 12.805 180 HD22 ASN 22 1HD2 ASN 22 7.262 3.192 13.733 181 H TRP 23 H TRP 23 6.886 -0.031 9.342 182 HA TRP 23 HA TRP 23 7.921 -1.490 11.559 183 HB2 TRP 23 1HB TRP 23 5.912 -2.071 10.196 184 HB3 TRP 23 2HB TRP 23 6.974 -2.549 8.878 185 HD1 TRP 23 HD1 TRP 23 6.904 -3.441 12.665 186 HE1 TRP 23 HE1 TRP 23 6.993 -5.994 12.928 187 HE3 TRP 23 HE3 TRP 23 7.128 -4.775 7.713 188 HZ2 TRP 23 HZ2 TRP 23 7.068 -8.307 11.232 189 HZ3 TRP 23 HZ3 TRP 23 7.244 -7.178 7.077 190 HH2 TRP 23 HH2 TRP 23 7.199 -8.946 8.818 191 H LEU 24 H LEU 24 9.284 -0.956 8.362 192 HA LEU 24 HA LEU 24 11.334 -2.821 8.238 193 HB2 LEU 24 1HB LEU 24 10.618 -0.389 6.936 194 HB3 LEU 24 2HB LEU 24 12.291 -0.171 7.393 195 HG LEU 24 HG LEU 24 11.285 -2.647 5.917 196 HD11 LEU 24 1HD1 LEU 24 10.754 -0.670 4.573 197 HD12 LEU 24 2HD1 LEU 24 12.092 -1.571 3.847 198 HD13 LEU 24 3HD1 LEU 24 12.420 -0.072 4.749 199 HD21 LEU 24 3HD2 LEU 24 14.063 -1.395 6.151 200 HD22 LEU 24 1HD2 LEU 24 13.646 -2.858 5.232 201 HD23 LEU 24 2HD2 LEU 24 13.518 -2.860 6.999 202 H TRP 25 H TRP 25 11.361 0.195 10.142 203 HA TRP 25 HA TRP 25 14.042 -0.072 11.166 204 HB2 TRP 25 1HB TRP 25 11.676 1.651 11.683 205 HB3 TRP 25 2HB TRP 25 12.661 1.363 13.093 206 HD1 TRP 25 HD1 TRP 25 12.288 3.943 10.821 207 HE1 TRP 25 HE1 TRP 25 14.436 5.323 10.458 208 HE3 TRP 25 HE3 TRP 25 15.741 0.609 12.650 209 HZ2 TRP 25 HZ2 TRP 25 17.261 5.019 10.898 210 HZ3 TRP 25 HZ3 TRP 25 18.152 1.184 12.661 211 HH2 TRP 25 HH2 TRP 25 18.927 3.381 11.794 212 H TYR 26 H TYR 26 11.018 -1.597 12.187 213 HA TYR 26 HA TYR 26 12.000 -2.434 14.791 214 HB2 TYR 26 1HB TYR 26 9.521 -2.276 13.621 215 HB3 TYR 26 2HB TYR 26 9.838 -3.988 13.439 216 HD1 TYR 26 HD2 TYR 26 10.596 -5.281 15.622 217 HD2 TYR 26 HD1 TYR 26 8.759 -1.382 15.619 218 HE1 TYR 26 HE2 TYR 26 9.960 -5.578 18.021 219 HE2 TYR 26 HE1 TYR 26 8.100 -1.687 18.011 220 HH TYR 26 HH TYR 26 8.157 -3.068 19.833 221 H ILE 27 H ILE 27 11.882 -3.827 11.538 222 HA ILE 27 HA ILE 27 12.929 -6.442 12.290 223 HB ILE 27 HB ILE 27 12.793 -5.112 9.553 224 HG12 ILE 27 1HG1 ILE 27 10.541 -5.207 10.366 225 HG13 ILE 27 2HG1 ILE 27 10.771 -6.449 9.169 226 HG21 ILE 27 1HG2 ILE 27 13.184 -8.037 10.322 227 HG22 ILE 27 2HG2 ILE 27 12.823 -7.459 8.683 228 HG23 ILE 27 3HG2 ILE 27 14.328 -6.986 9.466 229 HD11 ILE 27 3HD1 ILE 27 9.988 -6.678 11.995 230 HD12 ILE 27 1HD1 ILE 27 9.752 -7.815 10.651 231 HD13 ILE 27 2HD1 ILE 27 11.262 -7.838 11.562 232 H LYS 28 H LYS 28 14.375 -3.631 10.624 233 HA LYS 28 HA LYS 28 16.980 -4.880 10.417 234 HB2 LYS 28 1HB LYS 28 15.693 -2.794 9.088 235 HB3 LYS 28 2HB LYS 28 16.884 -1.941 10.054 236 HG2 LYS 28 1HG LYS 28 18.299 -4.148 8.925 237 HG3 LYS 28 2HG LYS 28 17.201 -3.633 7.650 238 HD2 LYS 28 1HD LYS 28 19.134 -1.837 9.169 239 HD3 LYS 28 2HD LYS 28 19.470 -2.558 7.592 240 HE2 LYS 28 1HE LYS 28 18.083 -1.152 6.439 241 HE3 LYS 28 2HE LYS 28 16.920 -1.011 7.759 242 HZ1 LYS 28 3HZ LYS 28 18.422 0.492 8.894 243 HZ2 LYS 28 1HZ LYS 28 18.162 1.064 7.389 244 HZ3 LYS 28 2HZ LYS 28 19.573 0.324 7.745 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 -9.579 -5.919 -15.333 2 H2 ASN 1 2H ASN 1 -10.645 -6.850 -14.504 3 H3 ASN 1 3H ASN 1 -9.847 -7.465 -15.789 4 HA ASN 1 HA ASN 1 -10.927 -6.024 -17.313 5 HB2 ASN 1 1HB ASN 1 -11.988 -8.213 -16.772 6 HB3 ASN 1 2HB ASN 1 -13.002 -7.413 -15.575 7 HD21 ASN 1 2HD2 ASN 1 -15.014 -7.851 -16.702 8 HD22 ASN 1 1HD2 ASN 1 -15.334 -7.153 -18.283 9 H GLU 2 H GLU 2 -12.589 -5.474 -14.107 10 HA GLU 2 HA GLU 2 -13.750 -3.005 -14.890 11 HB2 GLU 2 1HB GLU 2 -13.115 -4.119 -12.131 12 HB3 GLU 2 2HB GLU 2 -13.979 -2.612 -12.425 13 HG2 GLU 2 1HG GLU 2 -15.717 -4.051 -12.092 14 HG3 GLU 2 2HG GLU 2 -15.634 -3.992 -13.845 15 H GLN 3 H GLN 3 -12.309 -1.592 -15.863 16 HA GLN 3 HA GLN 3 -9.879 -0.621 -14.844 17 HB2 GLN 3 1HB GLN 3 -10.115 1.212 -16.356 18 HB3 GLN 3 2HB GLN 3 -10.757 -0.238 -17.123 19 HG2 GLN 3 1HG GLN 3 -13.091 0.548 -16.521 20 HG3 GLN 3 2HG GLN 3 -12.382 2.031 -15.873 21 HE21 GLN 3 2HE2 GLN 3 -12.303 3.766 -17.322 22 HE22 GLN 3 1HE2 GLN 3 -12.344 3.542 -19.067 23 H GLU 4 H GLU 4 -13.124 0.238 -13.825 24 HA GLU 4 HA GLU 4 -12.480 2.657 -12.427 25 HB2 GLU 4 1HB GLU 4 -14.747 1.616 -13.316 26 HB3 GLU 4 2HB GLU 4 -14.834 0.896 -11.706 27 HG2 GLU 4 1HG GLU 4 -14.746 3.135 -10.692 28 HG3 GLU 4 2HG GLU 4 -14.409 3.865 -12.265 29 H LEU 5 H LEU 5 -12.431 -0.737 -11.460 30 HA LEU 5 HA LEU 5 -11.939 -0.205 -8.603 31 HB2 LEU 5 1HB LEU 5 -12.253 -2.597 -10.385 32 HB3 LEU 5 2HB LEU 5 -11.129 -2.811 -9.070 33 HG LEU 5 HG LEU 5 -13.394 -3.601 -8.555 34 HD11 LEU 5 1HD1 LEU 5 -13.540 -2.676 -6.312 35 HD12 LEU 5 2HD1 LEU 5 -12.522 -1.296 -6.765 36 HD13 LEU 5 3HD1 LEU 5 -11.846 -2.938 -6.752 37 HD21 LEU 5 3HD2 LEU 5 -14.688 -1.851 -9.764 38 HD22 LEU 5 1HD2 LEU 5 -14.240 -0.677 -8.505 39 HD23 LEU 5 2HD2 LEU 5 -15.224 -2.094 -8.093 40 H LEU 6 H LEU 6 -10.053 -0.758 -11.495 41 HA LEU 6 HA LEU 6 -7.511 -1.244 -10.414 42 HB2 LEU 6 1HB LEU 6 -8.664 -0.819 -12.970 43 HB3 LEU 6 2HB LEU 6 -7.413 0.401 -12.831 44 HG LEU 6 HG LEU 6 -5.775 -1.431 -12.263 45 HD11 LEU 6 1HD1 LEU 6 -7.263 -3.180 -11.398 46 HD12 LEU 6 2HD1 LEU 6 -6.476 -3.783 -12.860 47 HD13 LEU 6 3HD1 LEU 6 -8.161 -3.222 -12.927 48 HD21 LEU 6 3HD2 LEU 6 -7.238 -2.000 -14.872 49 HD22 LEU 6 1HD2 LEU 6 -5.504 -2.170 -14.519 50 HD23 LEU 6 2HD2 LEU 6 -6.231 -0.559 -14.629 51 H GLU 7 H GLU 7 -9.237 1.750 -10.409 52 HA GLU 7 HA GLU 7 -7.040 3.579 -9.979 53 HB2 GLU 7 1HB GLU 7 -9.956 3.734 -9.103 54 HB3 GLU 7 2HB GLU 7 -8.794 5.051 -9.010 55 HG2 GLU 7 1HG GLU 7 -8.695 4.089 -11.715 56 HG3 GLU 7 2HG GLU 7 -10.395 4.160 -11.276 57 H LEU 8 H LEU 8 -9.175 1.812 -7.696 58 HA LEU 8 HA LEU 8 -7.603 2.635 -5.340 59 HB2 LEU 8 1HB LEU 8 -10.005 0.809 -5.760 60 HB3 LEU 8 2HB LEU 8 -9.057 0.748 -4.287 61 HG LEU 8 HG LEU 8 -9.417 3.411 -4.311 62 HD11 LEU 8 1HD1 LEU 8 -10.759 3.440 -6.397 63 HD12 LEU 8 2HD1 LEU 8 -11.714 3.960 -4.999 64 HD13 LEU 8 3HD1 LEU 8 -11.930 2.324 -5.657 65 HD21 LEU 8 3HD2 LEU 8 -11.292 3.068 -2.768 66 HD22 LEU 8 1HD2 LEU 8 -10.004 1.891 -2.483 67 HD23 LEU 8 2HD2 LEU 8 -11.478 1.393 -3.346 68 H ASP 9 H ASP 9 -7.754 -0.198 -7.479 69 HA ASP 9 HA ASP 9 -6.247 -2.007 -5.949 70 HB2 ASP 9 1HB ASP 9 -7.418 -2.372 -8.200 71 HB3 ASP 9 2HB ASP 9 -5.950 -1.732 -8.951 72 H LYS 10 H LYS 10 -5.042 0.648 -7.986 73 HA LYS 10 HA LYS 10 -2.243 0.147 -7.703 74 HB2 LYS 10 1HB LYS 10 -3.888 2.199 -8.881 75 HB3 LYS 10 2HB LYS 10 -2.836 3.018 -7.737 76 HG2 LYS 10 1HG LYS 10 -1.571 3.016 -9.706 77 HG3 LYS 10 2HG LYS 10 -0.890 1.700 -8.765 78 HD2 LYS 10 1HD LYS 10 -1.076 0.629 -10.772 79 HD3 LYS 10 2HD LYS 10 -2.674 0.221 -10.143 80 HE2 LYS 10 1HE LYS 10 -2.494 2.834 -11.601 81 HE3 LYS 10 2HE LYS 10 -2.075 1.436 -12.583 82 HZ1 LYS 10 3HZ LYS 10 -4.641 1.679 -11.092 83 HZ2 LYS 10 1HZ LYS 10 -4.204 0.453 -12.071 84 HZ3 LYS 10 2HZ LYS 10 -4.444 1.940 -12.700 85 H TRP 11 H TRP 11 -4.317 2.307 -5.782 86 HA TRP 11 HA TRP 11 -2.395 2.981 -3.775 87 HB2 TRP 11 1HB TRP 11 -5.367 3.190 -4.064 88 HB3 TRP 11 2HB TRP 11 -4.723 3.250 -2.435 89 HD1 TRP 11 HD1 TRP 11 -4.773 5.268 -5.653 90 HE1 TRP 11 HE1 TRP 11 -3.863 7.638 -5.183 91 HE3 TRP 11 HE3 TRP 11 -3.076 4.562 -0.869 92 HZ2 TRP 11 HZ2 TRP 11 -2.576 9.035 -3.015 93 HZ3 TRP 11 HZ3 TRP 11 -2.012 6.433 0.379 94 HH2 TRP 11 HH2 TRP 11 -1.758 8.665 -0.680 95 H ALA 12 H ALA 12 -4.597 0.172 -3.919 96 HA ALA 12 HA ALA 12 -4.220 -0.774 -1.296 97 HB1 ALA 12 3HB ALA 12 -5.848 -1.669 -2.949 98 HB2 ALA 12 1HB ALA 12 -4.508 -2.451 -3.821 99 HB3 ALA 12 2HB ALA 12 -4.894 -2.941 -2.164 100 H SER 13 H SER 13 -1.981 -1.049 -4.052 101 HA SER 13 HA SER 13 -0.127 -2.817 -2.663 102 HB2 SER 13 1HB SER 13 1.355 -2.544 -4.467 103 HB3 SER 13 2HB SER 13 -0.271 -2.646 -5.147 104 HG SER 13 HG SER 13 -0.229 -0.334 -5.360 105 H LEU 14 H LEU 14 -0.285 0.729 -3.081 106 HA LEU 14 HA LEU 14 2.142 1.315 -1.622 107 HB2 LEU 14 1HB LEU 14 -0.289 2.986 -2.378 108 HB3 LEU 14 2HB LEU 14 0.945 3.585 -1.290 109 HG LEU 14 HG LEU 14 2.607 2.781 -3.254 110 HD11 LEU 14 1HD1 LEU 14 0.804 1.993 -4.761 111 HD12 LEU 14 2HD1 LEU 14 1.672 3.370 -5.450 112 HD13 LEU 14 3HD1 LEU 14 0.067 3.611 -4.729 113 HD21 LEU 14 3HD2 LEU 14 1.053 5.397 -3.223 114 HD22 LEU 14 1HD2 LEU 14 2.608 5.111 -4.045 115 HD23 LEU 14 2HD2 LEU 14 2.515 5.021 -2.281 116 H TRP 15 H TRP 15 -1.224 0.899 -0.542 117 HA TRP 15 HA TRP 15 -0.943 1.699 2.152 118 HB2 TRP 15 1HB TRP 15 -2.757 -0.161 0.665 119 HB3 TRP 15 2HB TRP 15 -2.686 -0.353 2.403 120 HD1 TRP 15 HD1 TRP 15 -4.374 1.697 -0.156 121 HE1 TRP 15 HE1 TRP 15 -5.736 3.587 0.954 122 HE3 TRP 15 HE3 TRP 15 -2.428 1.424 4.560 123 HZ2 TRP 15 HZ2 TRP 15 -5.965 4.794 3.563 124 HZ3 TRP 15 HZ3 TRP 15 -3.241 2.950 6.356 125 HH2 TRP 15 HH2 TRP 15 -5.007 4.629 5.868 126 H ASN 16 H ASN 16 -0.137 -1.502 0.766 127 HA ASN 16 HA ASN 16 0.735 -2.661 3.266 128 HB2 ASN 16 1HB ASN 16 1.142 -3.340 0.339 129 HB3 ASN 16 2HB ASN 16 2.093 -4.152 1.577 130 HD21 ASN 16 2HD2 ASN 16 1.239 -6.119 2.121 131 HD22 ASN 16 1HD2 ASN 16 -0.492 -6.419 2.225 132 H TRP 17 H TRP 17 2.570 -0.951 0.689 133 HA TRP 17 HA TRP 17 5.135 -1.125 1.941 134 HB2 TRP 17 1HB TRP 17 4.864 -0.474 -0.382 135 HB3 TRP 17 2HB TRP 17 3.993 0.982 0.083 136 HD1 TRP 17 HD1 TRP 17 7.496 -0.557 0.706 137 HE1 TRP 17 HE1 TRP 17 9.241 1.339 0.781 138 HE3 TRP 17 HE3 TRP 17 4.368 3.464 0.115 139 HZ2 TRP 17 HZ2 TRP 17 9.272 4.209 0.621 140 HZ3 TRP 17 HZ3 TRP 17 5.292 5.775 0.076 141 HH2 TRP 17 HH2 TRP 17 7.733 6.159 0.329 142 H PHE 18 H PHE 18 2.531 1.272 2.417 143 HA PHE 18 HA PHE 18 3.863 3.052 4.129 144 HB2 PHE 18 1HB PHE 18 1.215 2.661 3.222 145 HB3 PHE 18 2HB PHE 18 1.091 2.619 4.964 146 HD1 PHE 18 HD2 PHE 18 2.008 4.648 2.015 147 HD2 PHE 18 HD1 PHE 18 1.624 4.634 6.313 148 HE1 PHE 18 HE2 PHE 18 2.145 7.130 2.037 149 HE2 PHE 18 HE1 PHE 18 1.759 7.116 6.329 150 HZ PHE 18 HZ PHE 18 2.018 8.366 4.193 151 H ASN 19 H ASN 19 2.573 -0.141 4.963 152 HA ASN 19 HA ASN 19 2.962 0.206 7.850 153 HB2 ASN 19 1HB ASN 19 2.193 -2.066 6.024 154 HB3 ASN 19 2HB ASN 19 2.959 -2.488 7.547 155 HD21 ASN 19 2HD2 ASN 19 0.003 -2.538 6.395 156 HD22 ASN 19 1HD2 ASN 19 -0.854 -1.976 7.826 157 H ILE 20 H ILE 20 4.955 -1.036 5.177 158 HA ILE 20 HA ILE 20 7.074 -2.110 6.790 159 HB ILE 20 HB ILE 20 7.246 -1.029 3.962 160 HG12 ILE 20 1HG1 ILE 20 5.576 -2.774 4.007 161 HG13 ILE 20 2HG1 ILE 20 7.036 -3.369 3.249 162 HG21 ILE 20 1HG2 ILE 20 9.203 -2.617 3.807 163 HG22 ILE 20 2HG2 ILE 20 9.471 -1.207 4.830 164 HG23 ILE 20 3HG2 ILE 20 9.135 -2.782 5.575 165 HD11 ILE 20 3HD1 ILE 20 6.087 -4.031 6.071 166 HD12 ILE 20 1HD1 ILE 20 6.085 -5.097 4.659 167 HD13 ILE 20 2HD1 ILE 20 7.625 -4.586 5.365 168 H THR 21 H THR 21 6.674 1.206 5.369 169 HA THR 21 HA THR 21 9.114 2.271 6.333 170 HB THR 21 HB THR 21 7.229 4.368 6.576 171 HG1 THR 21 HG1 THR 21 6.132 4.219 4.615 172 HG21 THR 21 3HG2 THR 21 8.916 3.545 4.181 173 HG22 THR 21 1HG2 THR 21 9.457 4.535 5.558 174 HG23 THR 21 2HG2 THR 21 8.209 5.152 4.464 175 H ASN 22 H ASN 22 6.027 1.873 8.053 176 HA ASN 22 HA ASN 22 6.989 3.188 10.473 177 HB2 ASN 22 1HB ASN 22 4.581 3.034 9.800 178 HB3 ASN 22 2HB ASN 22 4.619 1.299 10.125 179 HD21 ASN 22 2HD2 ASN 22 4.424 0.619 12.331 180 HD22 ASN 22 1HD2 ASN 22 4.337 1.797 13.635 181 H TRP 23 H TRP 23 6.629 -0.245 9.474 182 HA TRP 23 HA TRP 23 7.490 -1.416 11.913 183 HB2 TRP 23 1HB TRP 23 6.268 -2.519 10.006 184 HB3 TRP 23 2HB TRP 23 7.784 -2.563 9.118 185 HD1 TRP 23 HD1 TRP 23 7.077 -3.528 12.816 186 HE1 TRP 23 HE1 TRP 23 7.788 -5.958 13.214 187 HE3 TRP 23 HE3 TRP 23 8.550 -4.745 8.052 188 HZ2 TRP 23 HZ2 TRP 23 8.821 -8.151 11.683 189 HZ3 TRP 23 HZ3 TRP 23 9.392 -7.033 7.558 190 HH2 TRP 23 HH2 TRP 23 9.529 -8.740 9.358 191 H LEU 24 H LEU 24 9.399 -0.120 9.286 192 HA LEU 24 HA LEU 24 11.922 -1.190 9.747 193 HB2 LEU 24 1HB LEU 24 10.844 0.771 8.176 194 HB3 LEU 24 2HB LEU 24 11.794 1.774 9.238 195 HG LEU 24 HG LEU 24 13.026 -0.664 7.882 196 HD11 LEU 24 1HD1 LEU 24 11.927 0.604 6.100 197 HD12 LEU 24 2HD1 LEU 24 13.686 0.757 5.991 198 HD13 LEU 24 3HD1 LEU 24 12.719 2.101 6.647 199 HD21 LEU 24 3HD2 LEU 24 14.182 2.036 8.718 200 HD22 LEU 24 1HD2 LEU 24 15.084 0.692 7.987 201 HD23 LEU 24 2HD2 LEU 24 14.382 0.505 9.601 202 H TRP 25 H TRP 25 10.392 1.445 11.553 203 HA TRP 25 HA TRP 25 12.544 2.004 13.384 204 HB2 TRP 25 1HB TRP 25 9.549 2.348 13.771 205 HB3 TRP 25 2HB TRP 25 10.807 3.082 14.751 206 HD1 TRP 25 HD1 TRP 25 8.640 3.842 11.952 207 HE1 TRP 25 HE1 TRP 25 9.387 5.963 10.683 208 HE3 TRP 25 HE3 TRP 25 13.341 4.339 13.912 209 HZ2 TRP 25 HZ2 TRP 25 11.709 7.657 10.567 210 HZ3 TRP 25 HZ3 TRP 25 14.804 6.226 13.209 211 HH2 TRP 25 HH2 TRP 25 14.002 7.886 11.545 212 H TYR 26 H TYR 26 10.128 -0.571 13.369 213 HA TYR 26 HA TYR 26 10.487 -1.361 16.141 214 HB2 TYR 26 1HB TYR 26 8.574 -1.844 14.262 215 HB3 TYR 26 2HB TYR 26 9.516 -3.312 14.090 216 HD1 TYR 26 HD2 TYR 26 9.863 -4.796 16.156 217 HD2 TYR 26 HD1 TYR 26 7.184 -1.422 16.106 218 HE1 TYR 26 HE2 TYR 26 8.686 -5.699 18.173 219 HE2 TYR 26 HE1 TYR 26 5.997 -2.328 18.113 220 HH TYR 26 HH TYR 26 5.854 -4.046 19.614 221 H ILE 27 H ILE 27 11.836 -2.332 12.999 222 HA ILE 27 HA ILE 27 13.415 -4.545 13.945 223 HB ILE 27 HB ILE 27 13.920 -2.822 11.487 224 HG12 ILE 27 1HG1 ILE 27 11.694 -3.624 11.224 225 HG13 ILE 27 2HG1 ILE 27 12.751 -4.555 10.203 226 HG21 ILE 27 1HG2 ILE 27 14.860 -5.199 10.732 227 HG22 ILE 27 2HG2 ILE 27 15.854 -4.064 11.650 228 HG23 ILE 27 3HG2 ILE 27 15.070 -5.426 12.474 229 HD11 ILE 27 3HD1 ILE 27 11.290 -5.420 12.709 230 HD12 ILE 27 1HD1 ILE 27 11.300 -6.157 11.098 231 HD13 ILE 27 2HD1 ILE 27 12.716 -6.334 12.147 232 H LYS 28 H LYS 28 14.356 -1.182 13.220 233 HA LYS 28 HA LYS 28 16.984 -1.502 14.584 234 HB2 LYS 28 1HB LYS 28 15.819 0.427 12.634 235 HB3 LYS 28 2HB LYS 28 16.795 1.169 13.877 236 HG2 LYS 28 1HG LYS 28 18.324 -1.080 12.980 237 HG3 LYS 28 2HG LYS 28 17.651 -0.313 11.540 238 HD2 LYS 28 1HD LYS 28 18.523 1.924 12.467 239 HD3 LYS 28 2HD LYS 28 19.290 0.993 13.757 240 HE2 LYS 28 1HE LYS 28 21.024 1.299 12.233 241 HE3 LYS 28 2HE LYS 28 20.472 -0.344 11.894 242 HZ1 LYS 28 3HZ LYS 28 19.172 0.600 10.019 243 HZ2 LYS 28 1HZ LYS 28 20.762 0.924 9.847 244 HZ3 LYS 28 2HZ LYS 28 19.746 2.096 10.348 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 -9.960 -9.150 -9.017 2 H2 ASN 1 2H ASN 1 -10.518 -7.742 -9.634 3 H3 ASN 1 3H ASN 1 -11.258 -9.150 -10.015 4 HA ASN 1 HA ASN 1 -8.492 -8.447 -10.765 5 HB2 ASN 1 1HB ASN 1 -8.863 -10.884 -10.408 6 HB3 ASN 1 2HB ASN 1 -10.192 -10.854 -11.569 7 HD21 ASN 1 2HD2 ASN 1 -9.310 -12.138 -13.270 8 HD22 ASN 1 1HD2 ASN 1 -7.785 -11.735 -14.037 9 H GLU 2 H GLU 2 -9.517 -6.280 -11.417 10 HA GLU 2 HA GLU 2 -10.283 -6.366 -14.204 11 HB2 GLU 2 1HB GLU 2 -12.419 -6.785 -12.649 12 HB3 GLU 2 2HB GLU 2 -12.359 -5.044 -12.428 13 HG2 GLU 2 1HG GLU 2 -12.731 -4.644 -14.758 14 HG3 GLU 2 2HG GLU 2 -12.282 -6.290 -15.206 15 H GLN 3 H GLN 3 -10.516 -4.215 -15.154 16 HA GLN 3 HA GLN 3 -8.471 -2.401 -14.397 17 HB2 GLN 3 1HB GLN 3 -10.895 -1.933 -16.180 18 HB3 GLN 3 2HB GLN 3 -9.428 -0.945 -16.146 19 HG2 GLN 3 1HG GLN 3 -8.083 -2.852 -16.935 20 HG3 GLN 3 2HG GLN 3 -9.514 -3.891 -16.951 21 HE21 GLN 3 2HE2 GLN 3 -7.999 -3.590 -19.299 22 HE22 GLN 3 1HE2 GLN 3 -8.989 -2.675 -20.433 23 H GLU 4 H GLU 4 -11.933 -2.340 -13.706 24 HA GLU 4 HA GLU 4 -12.161 0.295 -12.594 25 HB2 GLU 4 1HB GLU 4 -13.690 -2.283 -12.067 26 HB3 GLU 4 2HB GLU 4 -14.197 -0.719 -11.444 27 HG2 GLU 4 1HG GLU 4 -13.805 -1.134 -14.434 28 HG3 GLU 4 2HG GLU 4 -15.265 -1.670 -13.618 29 H LEU 5 H LEU 5 -11.104 -2.769 -11.147 30 HA LEU 5 HA LEU 5 -11.003 -1.739 -8.413 31 HB2 LEU 5 1HB LEU 5 -11.200 -4.232 -9.230 32 HB3 LEU 5 2HB LEU 5 -9.461 -4.118 -9.496 33 HG LEU 5 HG LEU 5 -9.375 -3.274 -6.990 34 HD11 LEU 5 1HD1 LEU 5 -12.038 -4.770 -7.013 35 HD12 LEU 5 2HD1 LEU 5 -11.851 -3.025 -6.740 36 HD13 LEU 5 3HD1 LEU 5 -11.173 -4.176 -5.579 37 HD21 LEU 5 3HD2 LEU 5 -10.037 -6.157 -7.697 38 HD22 LEU 5 1HD2 LEU 5 -9.293 -5.609 -6.179 39 HD23 LEU 5 2HD2 LEU 5 -8.425 -5.397 -7.706 40 H LEU 6 H LEU 6 -8.745 -2.109 -11.108 41 HA LEU 6 HA LEU 6 -6.316 -1.618 -9.837 42 HB2 LEU 6 1HB LEU 6 -7.026 -2.213 -12.376 43 HB3 LEU 6 2HB LEU 6 -6.752 -0.487 -12.586 44 HG LEU 6 HG LEU 6 -4.446 -0.944 -11.400 45 HD11 LEU 6 1HD1 LEU 6 -3.585 -3.228 -11.703 46 HD12 LEU 6 2HD1 LEU 6 -5.142 -3.754 -12.374 47 HD13 LEU 6 3HD1 LEU 6 -5.022 -3.277 -10.670 48 HD21 LEU 6 3HD2 LEU 6 -5.063 -1.991 -14.192 49 HD22 LEU 6 1HD2 LEU 6 -3.432 -1.666 -13.565 50 HD23 LEU 6 2HD2 LEU 6 -4.588 -0.336 -13.747 51 H GLU 7 H GLU 7 -8.706 0.741 -10.836 52 HA GLU 7 HA GLU 7 -7.272 3.188 -10.560 53 HB2 GLU 7 1HB GLU 7 -10.179 2.499 -9.977 54 HB3 GLU 7 2HB GLU 7 -9.557 4.137 -10.016 55 HG2 GLU 7 1HG GLU 7 -8.853 2.644 -12.474 56 HG3 GLU 7 2HG GLU 7 -10.584 2.651 -12.173 57 H LEU 8 H LEU 8 -9.007 1.280 -8.080 58 HA LEU 8 HA LEU 8 -8.170 3.099 -5.914 59 HB2 LEU 8 1HB LEU 8 -10.355 1.333 -6.270 60 HB3 LEU 8 2HB LEU 8 -9.322 0.512 -5.110 61 HG LEU 8 HG LEU 8 -9.238 2.786 -3.837 62 HD11 LEU 8 1HD1 LEU 8 -11.707 3.250 -5.579 63 HD12 LEU 8 2HD1 LEU 8 -10.194 4.170 -5.686 64 HD13 LEU 8 3HD1 LEU 8 -11.178 4.263 -4.218 65 HD21 LEU 8 3HD2 LEU 8 -11.385 2.342 -2.712 66 HD22 LEU 8 1HD2 LEU 8 -10.483 0.847 -3.005 67 HD23 LEU 8 2HD2 LEU 8 -11.866 1.262 -4.043 68 H ASP 9 H ASP 9 -7.181 0.001 -7.248 69 HA ASP 9 HA ASP 9 -5.619 -1.045 -5.189 70 HB2 ASP 9 1HB ASP 9 -6.201 -2.136 -7.378 71 HB3 ASP 9 2HB ASP 9 -4.959 -1.144 -8.149 72 H LYS 10 H LYS 10 -4.633 1.409 -7.562 73 HA LYS 10 HA LYS 10 -1.872 1.731 -6.835 74 HB2 LYS 10 1HB LYS 10 -3.973 3.384 -8.211 75 HB3 LYS 10 2HB LYS 10 -2.633 4.273 -7.516 76 HG2 LYS 10 1HG LYS 10 -2.241 3.816 -9.837 77 HG3 LYS 10 2HG LYS 10 -1.001 3.084 -8.837 78 HD2 LYS 10 1HD LYS 10 -3.313 1.333 -9.666 79 HD3 LYS 10 2HD LYS 10 -2.194 1.856 -10.925 80 HE2 LYS 10 1HE LYS 10 -0.278 1.008 -9.570 81 HE3 LYS 10 2HE LYS 10 -1.420 0.369 -8.379 82 HZ1 LYS 10 3HZ LYS 10 -0.717 -1.311 -10.009 83 HZ2 LYS 10 1HZ LYS 10 -1.336 -0.438 -11.239 84 HZ3 LYS 10 2HZ LYS 10 -2.327 -1.074 -10.092 85 H TRP 11 H TRP 11 -4.710 3.429 -5.530 86 HA TRP 11 HA TRP 11 -3.264 4.863 -3.464 87 HB2 TRP 11 1HB TRP 11 -6.171 4.312 -4.056 88 HB3 TRP 11 2HB TRP 11 -5.709 4.904 -2.470 89 HD1 TRP 11 HD1 TRP 11 -6.181 6.094 -6.001 90 HE1 TRP 11 HE1 TRP 11 -5.779 8.642 -6.119 91 HE3 TRP 11 HE3 TRP 11 -4.173 6.825 -1.344 92 HZ2 TRP 11 HZ2 TRP 11 -4.730 10.716 -4.412 93 HZ3 TRP 11 HZ3 TRP 11 -3.478 9.101 -0.614 94 HH2 TRP 11 HH2 TRP 11 -3.753 11.046 -2.132 95 H ALA 12 H ALA 12 -5.118 1.782 -3.379 96 HA ALA 12 HA ALA 12 -4.788 1.277 -0.611 97 HB1 ALA 12 3HB ALA 12 -5.449 -0.973 -1.119 98 HB2 ALA 12 1HB ALA 12 -6.343 0.097 -2.214 99 HB3 ALA 12 2HB ALA 12 -4.939 -0.820 -2.814 100 H SER 13 H SER 13 -2.643 0.353 -3.339 101 HA SER 13 HA SER 13 -0.632 -1.017 -1.895 102 HB2 SER 13 1HB SER 13 -0.552 0.645 -4.432 103 HB3 SER 13 2HB SER 13 0.898 -0.129 -3.769 104 HG SER 13 HG SER 13 -0.223 -1.453 -5.306 105 H LEU 14 H LEU 14 -0.794 2.504 -2.655 106 HA LEU 14 HA LEU 14 1.543 3.250 -1.171 107 HB2 LEU 14 1HB LEU 14 -0.890 4.653 -2.258 108 HB3 LEU 14 2HB LEU 14 0.064 5.514 -1.061 109 HG LEU 14 HG LEU 14 1.450 4.239 -3.437 110 HD11 LEU 14 1HD1 LEU 14 0.149 6.993 -3.371 111 HD12 LEU 14 2HD1 LEU 14 -0.316 5.623 -4.407 112 HD13 LEU 14 3HD1 LEU 14 1.262 6.397 -4.626 113 HD21 LEU 14 3HD2 LEU 14 3.105 5.985 -3.020 114 HD22 LEU 14 1HD2 LEU 14 2.780 5.151 -1.492 115 HD23 LEU 14 2HD2 LEU 14 2.064 6.743 -1.796 116 H TRP 15 H TRP 15 -1.886 3.128 -0.117 117 HA TRP 15 HA TRP 15 -1.416 4.083 2.518 118 HB2 TRP 15 1HB TRP 15 -3.633 3.716 1.195 119 HB3 TRP 15 2HB TRP 15 -3.615 2.103 1.900 120 HD1 TRP 15 HD1 TRP 15 -4.238 1.949 4.476 121 HE1 TRP 15 HE1 TRP 15 -5.097 3.639 6.227 122 HE3 TRP 15 HE3 TRP 15 -3.432 6.292 1.885 123 HZ2 TRP 15 HZ2 TRP 15 -5.370 6.498 6.473 124 HZ3 TRP 15 HZ3 TRP 15 -3.989 8.493 2.908 125 HH2 TRP 15 HH2 TRP 15 -4.954 8.607 5.194 126 H ASN 16 H ASN 16 -1.434 0.702 1.323 127 HA ASN 16 HA ASN 16 -0.795 -0.481 3.886 128 HB2 ASN 16 1HB ASN 16 -1.817 -1.788 2.087 129 HB3 ASN 16 2HB ASN 16 -0.449 -1.469 1.019 130 HD21 ASN 16 2HD2 ASN 16 -1.073 -2.870 4.329 131 HD22 ASN 16 1HD2 ASN 16 0.128 -4.133 4.099 132 H TRP 17 H TRP 17 1.275 0.488 1.097 133 HA TRP 17 HA TRP 17 3.750 -0.315 2.205 134 HB2 TRP 17 1HB TRP 17 3.361 0.231 -0.157 135 HB3 TRP 17 2HB TRP 17 3.201 1.937 0.260 136 HD1 TRP 17 HD1 TRP 17 5.853 -0.839 0.870 137 HE1 TRP 17 HE1 TRP 17 8.200 0.137 0.456 138 HE3 TRP 17 HE3 TRP 17 4.539 3.955 -0.366 139 HZ2 TRP 17 HZ2 TRP 17 9.350 2.656 -0.316 140 HZ3 TRP 17 HZ3 TRP 17 6.287 5.621 -0.969 141 HH2 TRP 17 HH2 TRP 17 8.689 4.986 -0.942 142 H PHE 18 H PHE 18 1.931 2.689 2.802 143 HA PHE 18 HA PHE 18 3.934 4.149 4.157 144 HB2 PHE 18 1HB PHE 18 1.780 5.110 3.554 145 HB3 PHE 18 2HB PHE 18 0.941 4.022 4.653 146 HD1 PHE 18 HD2 PHE 18 3.472 6.793 4.572 147 HD2 PHE 18 HD1 PHE 18 0.611 4.594 6.940 148 HE1 PHE 18 HE2 PHE 18 3.788 8.393 6.448 149 HE2 PHE 18 HE1 PHE 18 0.928 6.196 8.808 150 HZ PHE 18 HZ PHE 18 2.521 8.094 8.568 151 H ASN 19 H ASN 19 2.077 1.354 5.340 152 HA ASN 19 HA ASN 19 3.071 1.643 8.101 153 HB2 ASN 19 1HB ASN 19 1.443 -0.450 6.624 154 HB3 ASN 19 2HB ASN 19 2.205 -0.827 8.162 155 HD21 ASN 19 2HD2 ASN 19 0.643 -0.769 9.734 156 HD22 ASN 19 1HD2 ASN 19 -0.519 0.545 9.876 157 H ILE 20 H ILE 20 4.024 -0.159 5.189 158 HA ILE 20 HA ILE 20 5.989 -1.862 6.325 159 HB ILE 20 HB ILE 20 5.968 -0.687 3.538 160 HG12 ILE 20 1HG1 ILE 20 3.873 -1.842 3.916 161 HG13 ILE 20 2HG1 ILE 20 4.894 -2.775 2.847 162 HG21 ILE 20 1HG2 ILE 20 7.462 -3.078 4.672 163 HG22 ILE 20 2HG2 ILE 20 7.263 -2.743 2.938 164 HG23 ILE 20 3HG2 ILE 20 8.150 -1.610 3.954 165 HD11 ILE 20 3HD1 ILE 20 4.373 -3.367 5.793 166 HD12 ILE 20 1HD1 ILE 20 3.732 -4.241 4.394 167 HD13 ILE 20 2HD1 ILE 20 5.465 -4.307 4.745 168 H THR 21 H THR 21 6.364 1.513 5.145 169 HA THR 21 HA THR 21 9.192 1.669 5.425 170 HB THR 21 HB THR 21 8.973 4.083 5.557 171 HG1 THR 21 HG1 THR 21 6.924 5.017 5.628 172 HG21 THR 21 3HG2 THR 21 6.925 2.983 3.585 173 HG22 THR 21 1HG2 THR 21 8.682 3.005 3.327 174 HG23 THR 21 2HG2 THR 21 7.786 4.527 3.480 175 H ASN 22 H ASN 22 6.688 2.124 7.898 176 HA ASN 22 HA ASN 22 8.683 2.707 9.993 177 HB2 ASN 22 1HB ASN 22 6.360 3.730 9.861 178 HB3 ASN 22 2HB ASN 22 5.705 2.158 10.327 179 HD21 ASN 22 2HD2 ASN 22 5.684 1.687 12.588 180 HD22 ASN 22 1HD2 ASN 22 6.505 2.727 13.746 181 H TRP 23 H TRP 23 6.764 -0.098 8.931 182 HA TRP 23 HA TRP 23 7.292 -1.872 11.074 183 HB2 TRP 23 1HB TRP 23 5.647 -2.177 9.209 184 HB3 TRP 23 2HB TRP 23 6.995 -2.557 8.140 185 HD1 TRP 23 HD1 TRP 23 5.897 -3.882 11.624 186 HE1 TRP 23 HE1 TRP 23 5.831 -6.453 11.550 187 HE3 TRP 23 HE3 TRP 23 7.415 -4.606 6.778 188 HZ2 TRP 23 HZ2 TRP 23 6.284 -8.537 9.626 189 HZ3 TRP 23 HZ3 TRP 23 7.598 -6.909 5.856 190 HH2 TRP 23 HH2 TRP 23 7.029 -8.876 7.262 191 H LEU 24 H LEU 24 9.347 -1.007 8.341 192 HA LEU 24 HA LEU 24 11.391 -2.912 8.471 193 HB2 LEU 24 1HB LEU 24 11.053 -0.113 7.570 194 HB3 LEU 24 2HB LEU 24 12.699 -0.438 8.050 195 HG LEU 24 HG LEU 24 11.406 -2.499 6.273 196 HD11 LEU 24 1HD1 LEU 24 10.629 -0.463 5.206 197 HD12 LEU 24 2HD1 LEU 24 11.933 -1.181 4.249 198 HD13 LEU 24 3HD1 LEU 24 12.261 0.243 5.268 199 HD21 LEU 24 3HD2 LEU 24 14.140 -1.139 6.257 200 HD22 LEU 24 1HD2 LEU 24 13.661 -2.565 5.313 201 HD23 LEU 24 2HD2 LEU 24 13.766 -2.669 7.083 202 H TRP 25 H TRP 25 10.998 -0.088 10.608 203 HA TRP 25 HA TRP 25 13.382 -0.573 12.206 204 HB2 TRP 25 1HB TRP 25 10.928 1.177 12.450 205 HB3 TRP 25 2HB TRP 25 11.928 0.902 13.856 206 HD1 TRP 25 HD1 TRP 25 11.842 2.926 10.709 207 HE1 TRP 25 HE1 TRP 25 13.886 4.503 10.652 208 HE3 TRP 25 HE3 TRP 25 14.538 0.902 14.561 209 HZ2 TRP 25 HZ2 TRP 25 16.347 4.855 12.118 210 HZ3 TRP 25 HZ3 TRP 25 16.730 1.881 15.220 211 HH2 TRP 25 HH2 TRP 25 17.638 3.853 14.013 212 H TYR 26 H TYR 26 10.069 -1.819 12.351 213 HA TYR 26 HA TYR 26 10.282 -2.906 15.023 214 HB2 TYR 26 1HB TYR 26 8.198 -2.365 13.412 215 HB3 TYR 26 2HB TYR 26 8.399 -4.056 12.984 216 HD1 TYR 26 HD2 TYR 26 7.631 -1.636 15.643 217 HD2 TYR 26 HD1 TYR 26 7.950 -5.823 14.678 218 HE1 TYR 26 HE2 TYR 26 6.430 -2.210 17.761 219 HE2 TYR 26 HE1 TYR 26 6.753 -6.402 16.799 220 HH TYR 26 HH TYR 26 5.630 -3.888 19.092 221 H ILE 27 H ILE 27 10.967 -4.151 11.768 222 HA ILE 27 HA ILE 27 11.469 -6.892 12.500 223 HB ILE 27 HB ILE 27 12.593 -5.259 10.190 224 HG12 ILE 27 1HG1 ILE 27 10.212 -5.312 9.952 225 HG13 ILE 27 2HG1 ILE 27 10.921 -6.421 8.816 226 HG21 ILE 27 1HG2 ILE 27 14.014 -7.201 10.454 227 HG22 ILE 27 2HG2 ILE 27 12.617 -8.274 10.622 228 HG23 ILE 27 3HG2 ILE 27 12.956 -7.474 9.074 229 HD11 ILE 27 3HD1 ILE 27 9.126 -7.653 9.600 230 HD12 ILE 27 1HD1 ILE 27 10.364 -8.245 10.705 231 HD13 ILE 27 2HD1 ILE 27 9.224 -6.988 11.241 232 H LYS 28 H LYS 28 13.750 -4.202 12.037 233 HA LYS 28 HA LYS 28 16.084 -5.698 12.994 234 HB2 LYS 28 1HB LYS 28 15.590 -2.871 12.066 235 HB3 LYS 28 2HB LYS 28 16.993 -3.187 13.077 236 HG2 LYS 28 1HG LYS 28 17.727 -3.304 10.855 237 HG3 LYS 28 2HG LYS 28 17.789 -4.936 11.519 238 HD2 LYS 28 1HD LYS 28 15.783 -5.570 10.255 239 HD3 LYS 28 2HD LYS 28 15.534 -3.882 9.756 240 HE2 LYS 28 1HE LYS 28 18.120 -4.271 8.929 241 HE3 LYS 28 2HE LYS 28 17.520 -5.923 8.783 242 HZ1 LYS 28 3HZ LYS 28 16.309 -3.527 7.502 243 HZ2 LYS 28 1HZ LYS 28 15.742 -5.057 7.336 244 HZ3 LYS 28 2HZ LYS 28 17.204 -4.648 6.733
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