NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622187 | 5vso | 30293 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 7.750 5.338 -11.155 2 H2 GLY 1 HT2 GLY 1 8.693 6.362 -12.110 3 H3 GLY 1 HT3 GLY 1 8.378 4.785 -12.621 4 HA2 GLY 1 HA3 GLY 1 6.387 6.950 -12.307 5 HA3 GLY 1 HA2 GLY 1 7.028 6.363 -13.834 6 H GLU 2 H GLU 2 6.666 4.051 -14.307 7 HA GLU 2 HA GLU 2 3.920 3.393 -13.621 8 HB2 GLU 2 HB2 GLU 2 4.111 1.744 -15.473 9 HB3 GLU 2 HB3 GLU 2 4.420 3.400 -15.970 10 HG2 GLU 2 HG2 GLU 2 6.861 2.914 -15.798 11 HG3 GLU 2 HG3 GLU 2 6.445 1.224 -15.511 12 H PHE 3 H PHE 3 3.306 1.210 -13.087 13 HA PHE 3 HA PHE 3 5.407 -0.271 -11.666 14 HB2 PHE 3 HB2 PHE 3 2.584 0.273 -10.720 15 HB3 PHE 3 HB3 PHE 3 3.712 -0.819 -9.931 16 HD1 PHE 3 HD1 PHE 3 2.812 2.664 -10.530 17 HD2 PHE 3 HD2 PHE 3 5.622 0.045 -8.700 18 HE1 PHE 3 HE1 PHE 3 3.679 4.534 -9.188 19 HE2 PHE 3 HE2 PHE 3 6.494 1.912 -7.358 20 HZ PHE 3 HZ PHE 3 5.521 4.160 -7.600 21 H GLY 4 H GLY 4 5.234 -2.496 -11.680 22 HA2 GLY 4 HA2 GLY 4 3.537 -3.583 -13.782 23 HA3 GLY 4 HA3 GLY 4 4.844 -4.423 -12.955 24 H SER 5 H SER 5 2.776 -5.936 -13.227 25 HA SER 5 HA SER 5 1.300 -7.261 -12.180 26 HB2 SER 5 HB2 SER 5 2.412 -5.966 -9.691 27 HB3 SER 5 HB3 SER 5 1.336 -7.363 -9.691 28 HG SER 5 HG SER 5 3.630 -7.471 -11.276 29 H MET 6 H MET 6 -0.560 -6.453 -13.030 30 HA MET 6 HA MET 6 -1.931 -4.179 -12.082 31 HB2 MET 6 HB2 MET 6 -2.925 -6.628 -13.541 32 HB3 MET 6 HB3 MET 6 -3.946 -5.247 -13.169 33 HG2 MET 6 HG2 MET 6 -2.354 -3.824 -14.458 34 HG3 MET 6 HG3 MET 6 -1.523 -5.299 -14.947 35 HE1 MET 6 HE1 MET 6 -3.714 -7.403 -15.453 36 HE2 MET 6 HE2 MET 6 -2.445 -7.049 -16.625 37 HE3 MET 6 HE3 MET 6 -4.128 -7.124 -17.144 38 H VAL 7 H VAL 7 -1.964 -7.554 -11.164 39 HA VAL 7 HA VAL 7 -4.129 -7.272 -9.305 40 HB VAL 7 HB VAL 7 -2.065 -9.477 -9.554 41 HG11 VAL 7 HG11 VAL 7 -3.646 -10.854 -8.314 42 HG12 VAL 7 HG12 VAL 7 -4.738 -9.480 -8.167 43 HG13 VAL 7 HG13 VAL 7 -3.166 -9.443 -7.369 44 HG21 VAL 7 HG21 VAL 7 -3.801 -10.702 -10.782 45 HG22 VAL 7 HG22 VAL 7 -3.331 -9.218 -11.612 46 HG23 VAL 7 HG23 VAL 7 -4.844 -9.281 -10.708 47 H LYS 8 H LYS 8 -3.977 -6.478 -7.346 48 HA LYS 8 HA LYS 8 -1.303 -6.014 -6.206 49 HB2 LYS 8 HB2 LYS 8 -2.625 -4.400 -4.690 50 HB3 LYS 8 HB3 LYS 8 -2.373 -3.933 -6.366 51 HG2 LYS 8 HG2 LYS 8 -4.621 -4.716 -6.920 52 HG3 LYS 8 HG3 LYS 8 -4.871 -5.171 -5.236 53 HD2 LYS 8 HD2 LYS 8 -4.752 -2.894 -4.537 54 HD3 LYS 8 HD3 LYS 8 -4.233 -2.374 -6.144 55 HE2 LYS 8 HE2 LYS 8 -6.598 -1.891 -5.795 56 HE3 LYS 8 HE3 LYS 8 -6.374 -3.082 -7.074 57 HZ1 LYS 8 HZ1 LYS 8 -7.113 -3.708 -4.266 58 HZ2 LYS 8 HZ2 LYS 8 -6.974 -4.838 -5.527 59 HZ3 LYS 8 HZ3 LYS 8 -8.188 -3.665 -5.565 60 H GLU 9 H GLU 9 -0.804 -7.834 -4.995 61 HA GLU 9 HA GLU 9 -2.785 -8.583 -2.974 62 HB2 GLU 9 HB2 GLU 9 -2.495 -10.301 -4.696 63 HB3 GLU 9 HB3 GLU 9 -0.760 -10.289 -4.426 64 HG2 GLU 9 HG2 GLU 9 -1.166 -11.059 -2.108 65 HG3 GLU 9 HG3 GLU 9 -2.882 -11.184 -2.493 66 H THR 10 H THR 10 -2.092 -8.585 -0.911 67 HA THR 10 HA THR 10 -0.779 -8.818 0.888 68 HB THR 10 HB THR 10 1.640 -9.092 -0.887 69 HG1 THR 10 HG1 THR 10 1.060 -11.136 -1.233 70 HG21 THR 10 HG21 THR 10 2.430 -10.442 1.021 71 HG22 THR 10 HG22 THR 10 0.927 -10.053 1.868 72 HG23 THR 10 HG23 THR 10 2.075 -8.773 1.479 73 H LYS 11 H LYS 11 -0.377 -6.367 -1.442 74 HA LYS 11 HA LYS 11 1.741 -4.911 -0.331 75 HB2 LYS 11 HB2 LYS 11 -0.638 -4.014 -1.934 76 HB3 LYS 11 HB3 LYS 11 0.686 -2.946 -1.467 77 HG2 LYS 11 HG2 LYS 11 2.259 -4.375 -2.674 78 HG3 LYS 11 HG3 LYS 11 0.934 -5.450 -3.123 79 HD2 LYS 11 HD2 LYS 11 -0.124 -3.628 -4.363 80 HD3 LYS 11 HD3 LYS 11 1.199 -2.549 -3.906 81 HE2 LYS 11 HE2 LYS 11 2.784 -4.007 -5.061 82 HE3 LYS 11 HE3 LYS 11 1.466 -5.084 -5.511 83 HZ1 LYS 11 HZ1 LYS 11 0.487 -3.280 -6.788 84 HZ2 LYS 11 HZ2 LYS 11 2.052 -3.625 -7.316 85 HZ3 LYS 11 HZ3 LYS 11 1.769 -2.260 -6.365 86 H PHE 12 H PHE 12 -1.726 -4.781 0.353 87 HA PHE 12 HA PHE 12 -1.423 -2.629 2.187 88 HB2 PHE 12 HB2 PHE 12 -3.693 -4.454 1.518 89 HB3 PHE 12 HB3 PHE 12 -3.771 -3.452 2.967 90 HD1 PHE 12 HD1 PHE 12 -4.965 -3.558 -0.185 91 HD2 PHE 12 HD2 PHE 12 -2.712 -0.947 2.301 92 HE1 PHE 12 HE1 PHE 12 -5.727 -1.626 -1.512 93 HE2 PHE 12 HE2 PHE 12 -3.470 0.978 0.992 94 HZ PHE 12 HZ PHE 12 -4.979 0.651 -0.902 95 H TYR 13 H TYR 13 -1.326 -6.071 2.410 96 HA TYR 13 HA TYR 13 -1.482 -6.224 5.255 97 HB2 TYR 13 HB2 TYR 13 -0.307 -8.142 3.225 98 HB3 TYR 13 HB3 TYR 13 -0.508 -8.506 4.938 99 HD1 TYR 13 HD1 TYR 13 -2.230 -8.087 1.725 100 HD2 TYR 13 HD2 TYR 13 -2.726 -8.924 5.862 101 HE1 TYR 13 HE1 TYR 13 -4.487 -8.941 1.274 102 HE2 TYR 13 HE2 TYR 13 -4.988 -9.774 5.424 103 HH TYR 13 HH TYR 13 -6.126 -10.460 2.302 104 H ASP 14 H ASP 14 1.165 -6.252 2.913 105 HA ASP 14 HA ASP 14 3.333 -6.213 4.669 106 HB2 ASP 14 HB2 ASP 14 2.992 -5.132 1.896 107 HB3 ASP 14 HB3 ASP 14 4.518 -4.999 2.752 108 H ILE 15 H ILE 15 1.529 -3.505 3.307 109 HA ILE 15 HA ILE 15 3.111 -1.494 4.417 110 HB ILE 15 HB ILE 15 0.271 -1.584 3.484 111 HG12 ILE 15 HG12 ILE 15 2.669 -0.122 2.374 112 HG13 ILE 15 HG13 ILE 15 2.126 -1.735 1.855 113 HG21 ILE 15 HG21 ILE 15 0.166 0.879 3.682 114 HG22 ILE 15 HG22 ILE 15 1.737 0.879 4.481 115 HG23 ILE 15 HG23 ILE 15 0.351 0.120 5.263 116 HD11 ILE 15 HD11 ILE 15 1.387 -0.016 0.312 117 HD12 ILE 15 HD12 ILE 15 0.573 0.838 1.623 118 HD13 ILE 15 HD13 ILE 15 0.006 -0.755 1.122 119 H LEU 16 H LEU 16 0.080 -2.896 5.691 120 HA LEU 16 HA LEU 16 0.268 -1.576 8.170 121 HB2 LEU 16 HB2 LEU 16 -1.148 -4.128 7.469 122 HB3 LEU 16 HB3 LEU 16 -1.253 -3.378 9.049 123 HG LEU 16 HG LEU 16 -2.202 -2.161 6.452 124 HD11 LEU 16 HD11 LEU 16 -4.420 -2.527 7.334 125 HD12 LEU 16 HD12 LEU 16 -3.746 -3.248 8.795 126 HD13 LEU 16 HD13 LEU 16 -3.546 -4.057 7.242 127 HD21 LEU 16 HD21 LEU 16 -3.199 -0.446 7.909 128 HD22 LEU 16 HD22 LEU 16 -1.439 -0.446 7.999 129 HD23 LEU 16 HD23 LEU 16 -2.388 -1.170 9.298 130 H GLY 17 H GLY 17 1.841 -4.468 7.070 131 HA2 GLY 17 HA2 GLY 17 3.758 -5.346 8.132 132 HA3 GLY 17 HA3 GLY 17 3.280 -4.521 9.612 133 H VAL 18 H VAL 18 0.978 -6.283 7.791 134 HA VAL 18 HA VAL 18 0.972 -8.425 9.829 135 HB VAL 18 HB VAL 18 -1.449 -8.713 9.349 136 HG11 VAL 18 HG11 VAL 18 -0.652 -5.966 10.230 137 HG12 VAL 18 HG12 VAL 18 -0.707 -7.408 11.245 138 HG13 VAL 18 HG13 VAL 18 -2.195 -6.750 10.563 139 HG21 VAL 18 HG21 VAL 18 -1.510 -7.761 7.104 140 HG22 VAL 18 HG22 VAL 18 -1.130 -6.170 7.760 141 HG23 VAL 18 HG23 VAL 18 -2.661 -6.946 8.163 142 HA PRO 19 HA PRO 19 1.422 -11.424 6.558 143 HB2 PRO 19 HB2 PRO 19 -0.059 -13.468 7.526 144 HB3 PRO 19 HB3 PRO 19 1.508 -13.038 8.226 145 HG2 PRO 19 HG2 PRO 19 -1.246 -12.297 9.147 146 HG3 PRO 19 HG3 PRO 19 0.118 -12.911 10.102 147 HD2 PRO 19 HD2 PRO 19 -0.491 -10.299 10.028 148 HD3 PRO 19 HD3 PRO 19 1.195 -10.844 10.100 149 H VAL 20 H VAL 20 0.201 -12.468 4.862 150 HA VAL 20 HA VAL 20 -2.135 -11.217 4.008 151 HB VAL 20 HB VAL 20 -1.069 -13.987 3.345 152 HG11 VAL 20 HG11 VAL 20 -3.163 -12.379 1.885 153 HG12 VAL 20 HG12 VAL 20 -3.446 -13.849 2.815 154 HG13 VAL 20 HG13 VAL 20 -2.473 -13.910 1.346 155 HG21 VAL 20 HG21 VAL 20 0.460 -12.182 2.770 156 HG22 VAL 20 HG22 VAL 20 -0.821 -11.373 1.868 157 HG23 VAL 20 HG23 VAL 20 -0.205 -12.932 1.320 158 H THR 21 H THR 21 -1.510 -14.017 5.962 159 HA THR 21 HA THR 21 -4.270 -14.873 6.166 160 HB THR 21 HB THR 21 -1.992 -15.866 7.872 161 HG1 THR 21 HG1 THR 21 -2.507 -16.290 5.109 162 HG21 THR 21 HG21 THR 21 -3.199 -18.003 7.680 163 HG22 THR 21 HG22 THR 21 -4.390 -17.243 6.625 164 HG23 THR 21 HG23 THR 21 -4.261 -16.745 8.311 165 H ALA 22 H ALA 22 -3.262 -12.168 7.230 166 HA ALA 22 HA ALA 22 -3.158 -12.193 10.020 167 HB1 ALA 22 HB1 ALA 22 -4.069 -9.924 8.275 168 HB2 ALA 22 HB2 ALA 22 -2.388 -10.341 8.601 169 HB3 ALA 22 HB3 ALA 22 -3.438 -9.818 9.919 170 H THR 23 H THR 23 -4.566 -11.701 11.566 171 HA THR 23 HA THR 23 -7.407 -12.111 10.992 172 HB THR 23 HB THR 23 -7.595 -12.417 13.461 173 HG1 THR 23 HG1 THR 23 -4.740 -12.260 13.381 174 HG21 THR 23 HG21 THR 23 -6.402 -14.575 13.571 175 HG22 THR 23 HG22 THR 23 -5.518 -14.146 12.107 176 HG23 THR 23 HG23 THR 23 -7.265 -14.376 12.047 177 H ASP 24 H ASP 24 -8.892 -10.714 12.484 178 HA ASP 24 HA ASP 24 -8.600 -8.055 11.764 179 HB2 ASP 24 HB2 ASP 24 -10.255 -9.267 13.980 180 HB3 ASP 24 HB3 ASP 24 -10.394 -7.600 13.434 181 H VAL 25 H VAL 25 -7.677 -9.673 14.788 182 HA VAL 25 HA VAL 25 -7.133 -7.324 16.257 183 HB VAL 25 HB VAL 25 -6.053 -10.129 16.540 184 HG11 VAL 25 HG11 VAL 25 -5.269 -9.465 18.778 185 HG12 VAL 25 HG12 VAL 25 -5.726 -7.796 18.436 186 HG13 VAL 25 HG13 VAL 25 -4.440 -8.566 17.507 187 HG21 VAL 25 HG21 VAL 25 -8.106 -8.600 18.128 188 HG22 VAL 25 HG22 VAL 25 -7.585 -10.258 18.429 189 HG23 VAL 25 HG23 VAL 25 -8.445 -9.858 16.942 190 H GLU 26 H GLU 26 -5.121 -9.348 14.179 191 HA GLU 26 HA GLU 26 -2.642 -8.039 14.710 192 HB2 GLU 26 HB2 GLU 26 -3.620 -9.696 12.369 193 HB3 GLU 26 HB3 GLU 26 -1.956 -9.142 12.541 194 HG2 GLU 26 HG2 GLU 26 -1.640 -10.460 14.495 195 HG3 GLU 26 HG3 GLU 26 -3.357 -10.852 14.578 196 H ILE 27 H ILE 27 -5.210 -7.681 12.419 197 HA ILE 27 HA ILE 27 -4.060 -5.716 10.782 198 HB ILE 27 HB ILE 27 -6.907 -6.573 11.309 199 HG12 ILE 27 HG12 ILE 27 -5.164 -6.882 8.855 200 HG13 ILE 27 HG13 ILE 27 -5.278 -8.084 10.133 201 HG21 ILE 27 HG21 ILE 27 -6.950 -4.200 10.657 202 HG22 ILE 27 HG22 ILE 27 -7.572 -5.217 9.357 203 HG23 ILE 27 HG23 ILE 27 -5.940 -4.558 9.256 204 HD11 ILE 27 HD11 ILE 27 -7.573 -7.122 8.446 205 HD12 ILE 27 HD12 ILE 27 -7.626 -8.392 9.668 206 HD13 ILE 27 HD13 ILE 27 -6.674 -8.618 8.201 207 H LYS 28 H LYS 28 -6.167 -5.501 13.649 208 HA LYS 28 HA LYS 28 -6.550 -2.722 13.629 209 HB2 LYS 28 HB2 LYS 28 -6.471 -4.670 15.943 210 HB3 LYS 28 HB3 LYS 28 -6.994 -3.004 16.080 211 HG2 LYS 28 HG2 LYS 28 -8.325 -5.079 14.353 212 HG3 LYS 28 HG3 LYS 28 -8.839 -4.639 15.981 213 HD2 LYS 28 HD2 LYS 28 -9.113 -2.294 15.177 214 HD3 LYS 28 HD3 LYS 28 -8.760 -2.884 13.550 215 HE2 LYS 28 HE2 LYS 28 -10.678 -4.379 13.656 216 HE3 LYS 28 HE3 LYS 28 -11.026 -3.827 15.293 217 HZ1 LYS 28 HZ1 LYS 28 -12.447 -2.665 13.846 218 HZ2 LYS 28 HZ2 LYS 28 -11.200 -2.273 12.783 219 HZ3 LYS 28 HZ3 LYS 28 -11.265 -1.551 14.314 220 H LYS 29 H LYS 29 -4.172 -4.738 15.303 221 HA LYS 29 HA LYS 29 -2.937 -2.552 16.641 222 HB2 LYS 29 HB2 LYS 29 -1.147 -4.126 17.244 223 HB3 LYS 29 HB3 LYS 29 -2.748 -4.765 17.580 224 HG2 LYS 29 HG2 LYS 29 -2.635 -6.097 15.534 225 HG3 LYS 29 HG3 LYS 29 -1.005 -5.496 15.230 226 HD2 LYS 29 HD2 LYS 29 -1.872 -7.031 17.681 227 HD3 LYS 29 HD3 LYS 29 -1.023 -7.728 16.302 228 HE2 LYS 29 HE2 LYS 29 0.866 -6.214 16.715 229 HE3 LYS 29 HE3 LYS 29 0.015 -5.537 18.101 230 HZ1 LYS 29 HZ1 LYS 29 0.032 -7.757 19.101 231 HZ2 LYS 29 HZ2 LYS 29 1.586 -7.158 18.841 232 HZ3 LYS 29 HZ3 LYS 29 0.952 -8.334 17.806 233 H ALA 30 H ALA 30 -2.236 -4.190 13.660 234 HA ALA 30 HA ALA 30 0.168 -2.931 13.051 235 HB1 ALA 30 HB1 ALA 30 -0.253 -3.575 10.779 236 HB2 ALA 30 HB2 ALA 30 -1.961 -3.841 11.141 237 HB3 ALA 30 HB3 ALA 30 -0.729 -4.875 11.870 238 H TYR 31 H TYR 31 -3.192 -2.045 12.456 239 HA TYR 31 HA TYR 31 -2.678 0.308 11.017 240 HB2 TYR 31 HB2 TYR 31 -4.877 -0.601 10.920 241 HB3 TYR 31 HB3 TYR 31 -5.026 -0.631 12.677 242 HD1 TYR 31 HD1 TYR 31 -4.612 1.745 9.816 243 HD2 TYR 31 HD2 TYR 31 -6.100 1.132 13.755 244 HE1 TYR 31 HE1 TYR 31 -5.681 3.961 9.755 245 HE2 TYR 31 HE2 TYR 31 -7.172 3.342 13.703 246 HH TYR 31 HH TYR 31 -7.464 5.178 10.820 247 H ARG 32 H ARG 32 -3.183 -0.427 14.404 248 HA ARG 32 HA ARG 32 -3.161 2.164 15.446 249 HB2 ARG 32 HB2 ARG 32 -2.187 -0.415 16.680 250 HB3 ARG 32 HB3 ARG 32 -2.509 1.068 17.565 251 HG2 ARG 32 HG2 ARG 32 -4.535 -0.470 15.986 252 HG3 ARG 32 HG3 ARG 32 -4.318 -0.597 17.726 253 HD2 ARG 32 HD2 ARG 32 -4.779 1.827 17.894 254 HD3 ARG 32 HD3 ARG 32 -5.058 1.859 16.155 255 HE ARG 32 HE ARG 32 -6.698 -0.071 17.475 256 HH11 ARG 32 HH11 ARG 32 -6.412 3.331 16.694 257 HH12 ARG 32 HH12 ARG 32 -8.105 3.647 16.842 258 HH21 ARG 32 HH21 ARG 32 -8.961 0.330 17.657 259 HH22 ARG 32 HH22 ARG 32 -9.565 1.925 17.378 260 H LYS 33 H LYS 33 -0.534 -0.163 14.980 261 HA LYS 33 HA LYS 33 1.396 1.660 16.046 262 HB2 LYS 33 HB2 LYS 33 3.057 0.060 15.593 263 HB3 LYS 33 HB3 LYS 33 1.620 -0.851 16.030 264 HG2 LYS 33 HG2 LYS 33 1.202 -1.315 13.654 265 HG3 LYS 33 HG3 LYS 33 2.661 -0.393 13.253 266 HD2 LYS 33 HD2 LYS 33 4.020 -1.967 14.537 267 HD3 LYS 33 HD3 LYS 33 2.577 -2.894 14.946 268 HE2 LYS 33 HE2 LYS 33 2.223 -3.384 12.569 269 HE3 LYS 33 HE3 LYS 33 3.658 -2.446 12.160 270 HZ1 LYS 33 HZ1 LYS 33 4.203 -4.774 12.206 271 HZ2 LYS 33 HZ2 LYS 33 3.578 -4.948 13.761 272 HZ3 LYS 33 HZ3 LYS 33 4.967 -4.019 13.513 273 H CYS 34 H CYS 34 0.432 0.791 12.747 274 HA CYS 34 HA CYS 34 2.478 2.314 11.525 275 HB2 CYS 34 HB2 CYS 34 -0.232 1.468 10.512 276 HB3 CYS 34 HB3 CYS 34 0.935 2.338 9.516 277 HG CYS 34 HG CYS 34 0.941 -0.873 10.528 278 H ALA 35 H ALA 35 -0.846 3.194 12.425 279 HA ALA 35 HA ALA 35 -0.696 5.823 11.393 280 HB1 ALA 35 HB1 ALA 35 -2.824 4.716 11.858 281 HB2 ALA 35 HB2 ALA 35 -2.704 6.247 12.725 282 HB3 ALA 35 HB3 ALA 35 -2.461 4.727 13.584 283 H LEU 36 H LEU 36 -0.286 4.550 14.662 284 HA LEU 36 HA LEU 36 0.252 7.047 15.874 285 HB2 LEU 36 HB2 LEU 36 0.956 4.262 16.751 286 HB3 LEU 36 HB3 LEU 36 1.273 5.685 17.722 287 HG LEU 36 HG LEU 36 -1.469 4.818 16.812 288 HD11 LEU 36 HD11 LEU 36 -1.811 4.128 19.137 289 HD12 LEU 36 HD12 LEU 36 -0.118 4.481 19.484 290 HD13 LEU 36 HD13 LEU 36 -0.537 3.195 18.353 291 HD21 LEU 36 HD21 LEU 36 -2.244 6.442 18.493 292 HD22 LEU 36 HD22 LEU 36 -1.323 7.211 17.203 293 HD23 LEU 36 HD23 LEU 36 -0.574 6.930 18.775 294 H LYS 37 H LYS 37 2.413 4.652 14.481 295 HA LYS 37 HA LYS 37 4.799 5.885 15.370 296 HB2 LYS 37 HB2 LYS 37 4.253 3.875 13.193 297 HB3 LYS 37 HB3 LYS 37 5.876 4.442 13.584 298 HG2 LYS 37 HG2 LYS 37 5.733 3.491 15.790 299 HG3 LYS 37 HG3 LYS 37 4.026 3.115 15.565 300 HD2 LYS 37 HD2 LYS 37 5.328 1.107 15.302 301 HD3 LYS 37 HD3 LYS 37 4.655 1.569 13.741 302 HE2 LYS 37 HE2 LYS 37 6.796 2.571 13.103 303 HE3 LYS 37 HE3 LYS 37 7.471 2.148 14.674 304 HZ1 LYS 37 HZ1 LYS 37 8.113 0.585 12.931 305 HZ2 LYS 37 HZ2 LYS 37 6.494 0.197 12.656 306 HZ3 LYS 37 HZ3 LYS 37 7.210 -0.184 14.135 307 H TYR 38 H TYR 38 2.959 6.191 12.329 308 HA TYR 38 HA TYR 38 4.856 8.321 11.553 309 HB2 TYR 38 HB2 TYR 38 3.529 6.222 9.873 310 HB3 TYR 38 HB3 TYR 38 4.275 7.646 9.157 311 HD1 TYR 38 HD1 TYR 38 4.871 4.500 10.944 312 HD2 TYR 38 HD2 TYR 38 6.693 7.921 9.199 313 HE1 TYR 38 HE1 TYR 38 7.058 3.388 11.058 314 HE2 TYR 38 HE2 TYR 38 8.883 6.819 9.305 315 HH TYR 38 HH TYR 38 9.979 5.055 10.605 316 H HIS 39 H HIS 39 2.066 8.503 12.854 317 HA HIS 39 HA HIS 39 0.365 9.745 11.003 318 HB2 HIS 39 HB2 HIS 39 -0.745 10.787 12.987 319 HB3 HIS 39 HB3 HIS 39 -0.519 9.048 13.130 320 HD2 HIS 39 HD2 HIS 39 2.807 9.972 14.122 321 HE1 HIS 39 HE1 HIS 39 0.557 10.774 17.620 322 HE2 HIS 39 HE2 HIS 39 2.797 10.094 16.693 323 HA PRO 40 HA PRO 40 2.371 13.456 9.879 324 HB2 PRO 40 HB2 PRO 40 0.185 15.015 9.312 325 HB3 PRO 40 HB3 PRO 40 0.812 13.749 8.246 326 HG2 PRO 40 HG2 PRO 40 -1.450 13.628 10.207 327 HG3 PRO 40 HG3 PRO 40 -1.371 12.996 8.552 328 HD2 PRO 40 HD2 PRO 40 -1.063 11.389 10.664 329 HD3 PRO 40 HD3 PRO 40 -0.103 11.155 9.185 330 H ASP 41 H ASP 41 0.074 13.569 12.512 331 HA ASP 41 HA ASP 41 0.554 16.327 13.128 332 HB2 ASP 41 HB2 ASP 41 -0.675 15.869 15.225 333 HB3 ASP 41 HB3 ASP 41 -1.552 15.369 13.782 334 H LYS 42 H LYS 42 2.479 13.664 13.511 335 HA LYS 42 HA LYS 42 4.084 15.090 15.502 336 HB2 LYS 42 HB2 LYS 42 3.551 12.114 15.637 337 HB3 LYS 42 HB3 LYS 42 4.680 12.989 16.659 338 HG2 LYS 42 HG2 LYS 42 1.710 13.455 16.570 339 HG3 LYS 42 HG3 LYS 42 2.556 12.491 17.781 340 HD2 LYS 42 HD2 LYS 42 3.791 14.452 18.511 341 HD3 LYS 42 HD3 LYS 42 3.032 15.421 17.246 342 HE2 LYS 42 HE2 LYS 42 1.551 14.023 19.466 343 HE3 LYS 42 HE3 LYS 42 1.990 15.732 19.468 344 HZ1 LYS 42 HZ1 LYS 42 -0.291 15.392 18.729 345 HZ2 LYS 42 HZ2 LYS 42 0.234 14.410 17.454 346 HZ3 LYS 42 HZ3 LYS 42 0.650 16.048 17.491 347 H ASN 43 H ASN 43 3.795 12.902 12.858 348 HA ASN 43 HA ASN 43 6.672 13.065 12.386 349 HB2 ASN 43 HB2 ASN 43 4.600 11.164 11.270 350 HB3 ASN 43 HB3 ASN 43 6.317 11.126 10.893 351 HD21 ASN 43 HD21 ASN 43 7.788 10.473 12.484 352 HD22 ASN 43 HD22 ASN 43 7.272 9.577 13.869 353 HA PRO 44 HA PRO 44 5.073 16.135 9.526 354 HB2 PRO 44 HB2 PRO 44 7.420 17.340 9.016 355 HB3 PRO 44 HB3 PRO 44 6.539 17.570 10.532 356 HG2 PRO 44 HG2 PRO 44 8.866 15.783 9.948 357 HG3 PRO 44 HG3 PRO 44 8.585 16.832 11.349 358 HD2 PRO 44 HD2 PRO 44 8.131 14.149 11.370 359 HD3 PRO 44 HD3 PRO 44 7.210 15.309 12.374 360 H SER 45 H SER 45 7.238 13.574 8.768 361 HA SER 45 HA SER 45 7.952 14.359 6.150 362 HB2 SER 45 HB2 SER 45 7.594 11.566 7.073 363 HB3 SER 45 HB3 SER 45 8.651 12.151 5.811 364 HG SER 45 HG SER 45 9.603 13.474 7.641 365 H GLU 46 H GLU 46 7.074 14.095 4.320 366 HA GLU 46 HA GLU 46 4.358 13.803 3.907 367 HB2 GLU 46 HB2 GLU 46 5.833 14.896 2.301 368 HB3 GLU 46 HB3 GLU 46 6.642 13.369 1.979 369 HG2 GLU 46 HG2 GLU 46 4.493 12.481 1.166 370 HG3 GLU 46 HG3 GLU 46 3.810 14.099 1.318 371 H GLU 47 H GLU 47 6.974 11.551 3.543 372 HA GLU 47 HA GLU 47 5.574 9.350 2.496 373 HB2 GLU 47 HB2 GLU 47 8.013 9.497 4.206 374 HB3 GLU 47 HB3 GLU 47 7.463 8.023 3.415 375 HG2 GLU 47 HG2 GLU 47 7.677 9.162 1.235 376 HG3 GLU 47 HG3 GLU 47 8.345 10.562 2.068 377 H ALA 48 H ALA 48 6.223 10.379 5.758 378 HA ALA 48 HA ALA 48 5.236 8.112 7.103 379 HB1 ALA 48 HB1 ALA 48 5.277 10.985 8.028 380 HB2 ALA 48 HB2 ALA 48 6.588 9.824 8.229 381 HB3 ALA 48 HB3 ALA 48 5.056 9.577 9.067 382 H ALA 49 H ALA 49 3.822 11.055 6.095 383 HA ALA 49 HA ALA 49 1.188 10.595 6.978 384 HB1 ALA 49 HB1 ALA 49 2.116 12.287 4.657 385 HB2 ALA 49 HB2 ALA 49 1.965 12.819 6.332 386 HB3 ALA 49 HB3 ALA 49 0.527 12.365 5.417 387 H GLU 50 H GLU 50 2.834 9.867 3.960 388 HA GLU 50 HA GLU 50 0.695 8.843 2.460 389 HB2 GLU 50 HB2 GLU 50 3.549 7.838 2.520 390 HB3 GLU 50 HB3 GLU 50 2.384 7.549 1.241 391 HG2 GLU 50 HG2 GLU 50 2.333 10.000 0.843 392 HG3 GLU 50 HG3 GLU 50 3.644 10.151 2.029 393 H LYS 51 H LYS 51 2.902 7.349 4.708 394 HA LYS 51 HA LYS 51 1.994 4.698 4.536 395 HB2 LYS 51 HB2 LYS 51 3.312 6.223 6.762 396 HB3 LYS 51 HB3 LYS 51 2.980 4.499 6.845 397 HG2 LYS 51 HG2 LYS 51 4.413 4.105 4.942 398 HG3 LYS 51 HG3 LYS 51 4.691 5.840 4.770 399 HD2 LYS 51 HD2 LYS 51 6.551 4.774 5.920 400 HD3 LYS 51 HD3 LYS 51 5.694 5.903 6.986 401 HE2 LYS 51 HE2 LYS 51 6.231 3.828 8.159 402 HE3 LYS 51 HE3 LYS 51 4.493 4.030 8.010 403 HZ1 LYS 51 HZ1 LYS 51 5.079 1.765 7.510 404 HZ2 LYS 51 HZ2 LYS 51 6.204 2.248 6.350 405 HZ3 LYS 51 HZ3 LYS 51 4.555 2.502 6.084 406 H PHE 52 H PHE 52 1.060 7.372 6.597 407 HA PHE 52 HA PHE 52 -0.789 6.039 8.201 408 HB2 PHE 52 HB2 PHE 52 0.051 8.294 8.692 409 HB3 PHE 52 HB3 PHE 52 -0.778 8.921 7.271 410 HD1 PHE 52 HD1 PHE 52 -1.187 7.691 10.690 411 HD2 PHE 52 HD2 PHE 52 -3.171 9.277 7.278 412 HE1 PHE 52 HE1 PHE 52 -3.186 8.128 12.057 413 HE2 PHE 52 HE2 PHE 52 -5.171 9.712 8.639 414 HZ PHE 52 HZ PHE 52 -5.178 9.142 11.033 415 H LYS 53 H LYS 53 -1.244 7.817 5.127 416 HA LYS 53 HA LYS 53 -4.019 7.424 4.932 417 HB2 LYS 53 HB2 LYS 53 -1.998 7.831 2.721 418 HB3 LYS 53 HB3 LYS 53 -3.738 7.996 2.546 419 HG2 LYS 53 HG2 LYS 53 -1.984 9.681 4.324 420 HG3 LYS 53 HG3 LYS 53 -2.635 10.160 2.754 421 HD2 LYS 53 HD2 LYS 53 -4.912 9.923 3.643 422 HD3 LYS 53 HD3 LYS 53 -4.244 9.476 5.215 423 HE2 LYS 53 HE2 LYS 53 -3.120 11.651 5.345 424 HE3 LYS 53 HE3 LYS 53 -3.810 12.095 3.786 425 HZ1 LYS 53 HZ1 LYS 53 -5.332 11.498 6.260 426 HZ2 LYS 53 HZ2 LYS 53 -6.020 11.890 4.769 427 HZ3 LYS 53 HZ3 LYS 53 -5.080 13.026 5.594 428 H GLU 54 H GLU 54 -1.333 5.582 3.518 429 HA GLU 54 HA GLU 54 -2.939 3.673 2.249 430 HB2 GLU 54 HB2 GLU 54 -0.089 3.736 3.131 431 HB3 GLU 54 HB3 GLU 54 -0.789 2.227 2.568 432 HG2 GLU 54 HG2 GLU 54 0.442 3.508 0.859 433 HG3 GLU 54 HG3 GLU 54 -1.220 3.130 0.410 434 H ALA 55 H ALA 55 -1.686 3.869 5.508 435 HA ALA 55 HA ALA 55 -2.362 1.250 6.316 436 HB1 ALA 55 HB1 ALA 55 -2.138 2.089 8.598 437 HB2 ALA 55 HB2 ALA 55 -2.134 3.747 7.998 438 HB3 ALA 55 HB3 ALA 55 -0.809 2.658 7.588 439 H SER 56 H SER 56 -4.129 4.314 6.290 440 HA SER 56 HA SER 56 -6.333 3.325 7.750 441 HB2 SER 56 HB2 SER 56 -7.485 5.370 7.046 442 HB3 SER 56 HB3 SER 56 -5.871 5.729 7.641 443 HG SER 56 HG SER 56 -5.420 5.475 5.168 444 H ALA 57 H ALA 57 -5.629 3.503 4.267 445 HA ALA 57 HA ALA 57 -8.210 2.575 3.475 446 HB1 ALA 57 HB1 ALA 57 -6.719 3.799 1.936 447 HB2 ALA 57 HB2 ALA 57 -7.206 2.240 1.270 448 HB3 ALA 57 HB3 ALA 57 -5.595 2.440 1.958 449 H ALA 58 H ALA 58 -5.123 1.010 4.071 450 HA ALA 58 HA ALA 58 -5.833 -1.607 3.420 451 HB1 ALA 58 HB1 ALA 58 -3.531 -0.842 3.973 452 HB2 ALA 58 HB2 ALA 58 -4.009 -2.290 4.855 453 HB3 ALA 58 HB3 ALA 58 -4.014 -0.723 5.662 454 H TYR 59 H TYR 59 -6.102 0.248 6.387 455 HA TYR 59 HA TYR 59 -7.290 -1.699 7.978 456 HB2 TYR 59 HB2 TYR 59 -6.357 0.260 8.948 457 HB3 TYR 59 HB3 TYR 59 -7.457 1.311 8.056 458 HD1 TYR 59 HD1 TYR 59 -7.233 -1.229 10.733 459 HD2 TYR 59 HD2 TYR 59 -9.579 1.843 8.965 460 HE1 TYR 59 HE1 TYR 59 -8.751 -1.288 12.653 461 HE2 TYR 59 HE2 TYR 59 -11.111 1.787 10.886 462 HH TYR 59 HH TYR 59 -11.784 0.309 12.647 463 H GLU 60 H GLU 60 -8.775 0.685 5.787 464 HA GLU 60 HA GLU 60 -11.355 0.208 6.744 465 HB2 GLU 60 HB2 GLU 60 -12.247 1.433 4.901 466 HB3 GLU 60 HB3 GLU 60 -10.779 2.229 5.433 467 HG2 GLU 60 HG2 GLU 60 -9.572 1.282 3.555 468 HG3 GLU 60 HG3 GLU 60 -11.019 0.419 3.049 469 H ILE 61 H ILE 61 -9.434 -1.545 4.365 470 HA ILE 61 HA ILE 61 -11.804 -3.147 3.711 471 HB ILE 61 HB ILE 61 -10.302 -4.340 2.110 472 HG12 ILE 61 HG12 ILE 61 -8.371 -2.083 2.696 473 HG13 ILE 61 HG13 ILE 61 -8.151 -3.755 3.197 474 HG21 ILE 61 HG21 ILE 61 -11.823 -2.590 1.393 475 HG22 ILE 61 HG22 ILE 61 -10.339 -2.563 0.445 476 HG23 ILE 61 HG23 ILE 61 -10.592 -1.369 1.718 477 HD11 ILE 61 HD11 ILE 61 -8.063 -4.452 0.873 478 HD12 ILE 61 HD12 ILE 61 -6.840 -3.230 1.225 479 HD13 ILE 61 HD13 ILE 61 -8.311 -2.783 0.359 480 H LEU 62 H LEU 62 -8.533 -3.630 4.924 481 HA LEU 62 HA LEU 62 -8.818 -6.330 5.478 482 HB2 LEU 62 HB2 LEU 62 -7.030 -4.243 6.626 483 HB3 LEU 62 HB3 LEU 62 -6.809 -5.974 6.927 484 HG LEU 62 HG LEU 62 -6.674 -4.546 4.276 485 HD11 LEU 62 HD11 LEU 62 -4.311 -5.236 4.297 486 HD12 LEU 62 HD12 LEU 62 -4.530 -5.859 5.934 487 HD13 LEU 62 HD13 LEU 62 -4.719 -4.135 5.611 488 HD21 LEU 62 HD21 LEU 62 -5.933 -6.721 3.369 489 HD22 LEU 62 HD22 LEU 62 -7.607 -6.717 3.916 490 HD23 LEU 62 HD23 LEU 62 -6.357 -7.469 4.909 491 H SER 63 H SER 63 -9.518 -3.539 7.564 492 HA SER 63 HA SER 63 -9.982 -5.054 9.918 493 HB2 SER 63 HB2 SER 63 -9.612 -2.580 9.890 494 HB3 SER 63 HB3 SER 63 -11.196 -2.387 9.151 495 HG SER 63 HG SER 63 -12.001 -3.573 11.051 496 H ASP 64 H ASP 64 -11.565 -5.189 7.042 497 HA ASP 64 HA ASP 64 -14.028 -6.139 8.321 498 HB2 ASP 64 HB2 ASP 64 -13.697 -4.382 5.950 499 HB3 ASP 64 HB3 ASP 64 -14.895 -5.663 5.812 500 HA PRO 65 HA PRO 65 -11.997 -9.860 6.821 501 HB2 PRO 65 HB2 PRO 65 -14.681 -10.839 7.696 502 HB3 PRO 65 HB3 PRO 65 -13.074 -11.509 8.029 503 HG2 PRO 65 HG2 PRO 65 -14.357 -10.123 9.864 504 HG3 PRO 65 HG3 PRO 65 -12.601 -9.901 9.664 505 HD2 PRO 65 HD2 PRO 65 -14.884 -8.151 8.846 506 HD3 PRO 65 HD3 PRO 65 -13.263 -7.692 9.388 507 H GLU 66 H GLU 66 -15.178 -8.733 5.999 508 HA GLU 66 HA GLU 66 -15.554 -10.620 3.845 509 HB2 GLU 66 HB2 GLU 66 -17.076 -8.134 4.627 510 HB3 GLU 66 HB3 GLU 66 -17.496 -9.119 3.232 511 HG2 GLU 66 HG2 GLU 66 -17.420 -10.075 6.082 512 HG3 GLU 66 HG3 GLU 66 -18.873 -9.657 5.174 513 H LYS 67 H LYS 67 -14.451 -7.304 4.212 514 HA LYS 67 HA LYS 67 -14.239 -6.782 1.435 515 HB2 LYS 67 HB2 LYS 67 -13.345 -5.507 3.993 516 HB3 LYS 67 HB3 LYS 67 -12.898 -4.819 2.415 517 HG2 LYS 67 HG2 LYS 67 -15.714 -5.263 3.414 518 HG3 LYS 67 HG3 LYS 67 -14.853 -3.721 3.462 519 HD2 LYS 67 HD2 LYS 67 -14.630 -3.804 1.004 520 HD3 LYS 67 HD3 LYS 67 -15.561 -5.301 0.988 521 HE2 LYS 67 HE2 LYS 67 -17.471 -4.119 1.960 522 HE3 LYS 67 HE3 LYS 67 -16.536 -2.625 1.977 523 HZ1 LYS 67 HZ1 LYS 67 -17.251 -4.170 -0.454 524 HZ2 LYS 67 HZ2 LYS 67 -16.386 -2.721 -0.422 525 HZ3 LYS 67 HZ3 LYS 67 -18.003 -2.746 0.054 526 H ARG 68 H ARG 68 -12.379 -7.992 4.017 527 HA ARG 68 HA ARG 68 -9.793 -7.767 3.012 528 HB2 ARG 68 HB2 ARG 68 -10.793 -8.323 5.374 529 HB3 ARG 68 HB3 ARG 68 -10.743 -9.974 4.796 530 HG2 ARG 68 HG2 ARG 68 -8.222 -8.904 4.228 531 HG3 ARG 68 HG3 ARG 68 -8.643 -8.349 5.829 532 HD2 ARG 68 HD2 ARG 68 -7.459 -10.537 5.858 533 HD3 ARG 68 HD3 ARG 68 -9.032 -10.544 6.645 534 HE ARG 68 HE ARG 68 -9.911 -11.665 4.652 535 HH11 ARG 68 HH11 ARG 68 -6.431 -11.687 5.093 536 HH12 ARG 68 HH12 ARG 68 -6.195 -13.136 4.191 537 HH21 ARG 68 HH21 ARG 68 -9.604 -13.599 3.452 538 HH22 ARG 68 HH22 ARG 68 -7.990 -14.218 3.241 539 H ASP 69 H ASP 69 -12.277 -10.306 2.913 540 HA ASP 69 HA ASP 69 -10.682 -12.169 1.459 541 HB2 ASP 69 HB2 ASP 69 -13.646 -12.039 1.997 542 HB3 ASP 69 HB3 ASP 69 -12.913 -13.312 1.027 543 H ILE 70 H ILE 70 -13.043 -9.754 0.661 544 HA ILE 70 HA ILE 70 -13.284 -10.282 -2.074 545 HB ILE 70 HB ILE 70 -13.563 -7.803 -0.411 546 HG12 ILE 70 HG12 ILE 70 -15.259 -9.486 -0.051 547 HG13 ILE 70 HG13 ILE 70 -15.972 -8.091 -0.851 548 HG21 ILE 70 HG21 ILE 70 -12.920 -7.048 -2.654 549 HG22 ILE 70 HG22 ILE 70 -14.616 -6.671 -2.354 550 HG23 ILE 70 HG23 ILE 70 -14.186 -8.045 -3.373 551 HD11 ILE 70 HD11 ILE 70 -15.886 -9.301 -2.987 552 HD12 ILE 70 HD12 ILE 70 -16.851 -10.138 -1.772 553 HD13 ILE 70 HD13 ILE 70 -15.226 -10.706 -2.148 554 H TYR 71 H TYR 71 -11.127 -8.081 -0.306 555 HA TYR 71 HA TYR 71 -9.612 -7.225 -2.521 556 HB2 TYR 71 HB2 TYR 71 -9.408 -6.064 -0.403 557 HB3 TYR 71 HB3 TYR 71 -8.794 -7.516 0.381 558 HD1 TYR 71 HD1 TYR 71 -7.982 -4.936 -2.165 559 HD2 TYR 71 HD2 TYR 71 -6.488 -8.050 0.323 560 HE1 TYR 71 HE1 TYR 71 -5.678 -4.285 -2.736 561 HE2 TYR 71 HE2 TYR 71 -4.185 -7.401 -0.237 562 HH TYR 71 HH TYR 71 -3.155 -6.132 -2.444 563 H ASP 72 H ASP 72 -9.165 -9.912 -0.339 564 HA ASP 72 HA ASP 72 -6.659 -10.807 -1.176 565 HB2 ASP 72 HB2 ASP 72 -7.704 -11.507 0.901 566 HB3 ASP 72 HB3 ASP 72 -8.962 -12.351 0.013 567 H GLN 73 H GLN 73 -9.898 -11.800 -2.400 568 HA GLN 73 HA GLN 73 -8.700 -13.711 -4.134 569 HB2 GLN 73 HB2 GLN 73 -11.007 -14.127 -4.790 570 HB3 GLN 73 HB3 GLN 73 -10.761 -14.274 -3.066 571 HG2 GLN 73 HG2 GLN 73 -11.722 -12.025 -2.792 572 HG3 GLN 73 HG3 GLN 73 -12.034 -11.973 -4.524 573 HE21 GLN 73 HE21 GLN 73 -12.936 -13.344 -1.489 574 HE22 GLN 73 HE22 GLN 73 -14.416 -14.070 -2.010 575 H PHE 74 H PHE 74 -10.397 -10.595 -4.486 576 HA PHE 74 HA PHE 74 -10.256 -10.681 -7.332 577 HB2 PHE 74 HB2 PHE 74 -10.986 -8.481 -5.413 578 HB3 PHE 74 HB3 PHE 74 -10.901 -8.216 -7.152 579 HD1 PHE 74 HD1 PHE 74 -12.823 -9.633 -4.430 580 HD2 PHE 74 HD2 PHE 74 -12.435 -9.432 -8.660 581 HE1 PHE 74 HE1 PHE 74 -15.113 -10.496 -4.678 582 HE2 PHE 74 HE2 PHE 74 -14.724 -10.293 -8.915 583 HZ PHE 74 HZ PHE 74 -16.067 -10.826 -6.922 584 H GLY 75 H GLY 75 -8.171 -9.484 -4.828 585 HA2 GLY 75 HA2 GLY 75 -5.995 -8.750 -4.965 586 HA3 GLY 75 HA3 GLY 75 -5.992 -9.280 -6.640 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 4.826 7.430 -6.069 2 H2 GLY 1 HT2 GLY 1 3.709 6.945 -4.905 3 H3 GLY 1 HT3 GLY 1 3.988 8.591 -5.172 4 HA2 GLY 1 HA3 GLY 1 1.910 7.910 -6.182 5 HA3 GLY 1 HA2 GLY 1 3.078 8.417 -7.397 6 H GLU 2 H GLU 2 0.760 6.563 -7.542 7 HA GLU 2 HA GLU 2 2.254 4.161 -8.308 8 HB2 GLU 2 HB2 GLU 2 0.460 4.088 -6.422 9 HB3 GLU 2 HB3 GLU 2 -0.686 4.132 -7.757 10 HG2 GLU 2 HG2 GLU 2 -0.243 1.854 -7.051 11 HG3 GLU 2 HG3 GLU 2 0.328 2.131 -8.700 12 H PHE 3 H PHE 3 2.276 3.683 -10.387 13 HA PHE 3 HA PHE 3 0.179 4.783 -12.116 14 HB2 PHE 3 HB2 PHE 3 3.143 4.696 -12.722 15 HB3 PHE 3 HB3 PHE 3 1.893 5.136 -13.880 16 HD1 PHE 3 HD1 PHE 3 3.885 6.225 -11.050 17 HD2 PHE 3 HD2 PHE 3 0.642 7.232 -13.613 18 HE1 PHE 3 HE1 PHE 3 4.027 8.562 -10.306 19 HE2 PHE 3 HE2 PHE 3 0.779 9.574 -12.873 20 HZ PHE 3 HZ PHE 3 2.474 10.241 -11.216 21 H GLY 4 H GLY 4 -0.211 3.592 -14.047 22 HA2 GLY 4 HA2 GLY 4 -0.125 1.661 -15.384 23 HA3 GLY 4 HA3 GLY 4 0.911 0.902 -14.180 24 H SER 5 H SER 5 -0.659 -0.908 -14.608 25 HA SER 5 HA SER 5 -2.812 -0.651 -12.653 26 HB2 SER 5 HB2 SER 5 -3.813 -0.384 -14.897 27 HB3 SER 5 HB3 SER 5 -3.138 -1.943 -15.369 28 HG SER 5 HG SER 5 -4.585 -2.962 -14.179 29 H MET 6 H MET 6 -1.904 -1.871 -11.135 30 HA MET 6 HA MET 6 -1.629 -4.710 -11.707 31 HB2 MET 6 HB2 MET 6 0.470 -3.054 -10.295 32 HB3 MET 6 HB3 MET 6 0.394 -4.805 -10.205 33 HG2 MET 6 HG2 MET 6 0.738 -4.953 -12.612 34 HG3 MET 6 HG3 MET 6 0.776 -3.195 -12.721 35 HE1 MET 6 HE1 MET 6 2.358 -5.694 -10.072 36 HE2 MET 6 HE2 MET 6 3.988 -5.840 -10.729 37 HE3 MET 6 HE3 MET 6 2.610 -6.440 -11.648 38 H VAL 7 H VAL 7 -1.471 -5.942 -9.599 39 HA VAL 7 HA VAL 7 -3.165 -4.606 -7.606 40 HB VAL 7 HB VAL 7 -3.252 -7.536 -8.394 41 HG11 VAL 7 HG11 VAL 7 -5.148 -7.697 -6.851 42 HG12 VAL 7 HG12 VAL 7 -4.907 -6.014 -6.382 43 HG13 VAL 7 HG13 VAL 7 -3.671 -7.217 -6.014 44 HG21 VAL 7 HG21 VAL 7 -5.285 -5.347 -8.826 45 HG22 VAL 7 HG22 VAL 7 -5.515 -7.054 -9.206 46 HG23 VAL 7 HG23 VAL 7 -4.302 -6.112 -10.074 47 H LYS 8 H LYS 8 -2.135 -4.403 -5.739 48 HA LYS 8 HA LYS 8 0.294 -5.887 -5.282 49 HB2 LYS 8 HB2 LYS 8 -1.148 -3.838 -3.594 50 HB3 LYS 8 HB3 LYS 8 0.406 -4.551 -3.178 51 HG2 LYS 8 HG2 LYS 8 1.379 -3.621 -5.211 52 HG3 LYS 8 HG3 LYS 8 -0.178 -2.906 -5.628 53 HD2 LYS 8 HD2 LYS 8 -0.102 -1.563 -3.581 54 HD3 LYS 8 HD3 LYS 8 1.460 -2.279 -3.174 55 HE2 LYS 8 HE2 LYS 8 2.413 -1.373 -5.225 56 HE3 LYS 8 HE3 LYS 8 0.857 -0.666 -5.647 57 HZ1 LYS 8 HZ1 LYS 8 1.018 0.652 -3.576 58 HZ2 LYS 8 HZ2 LYS 8 2.219 1.003 -4.709 59 HZ3 LYS 8 HZ3 LYS 8 2.590 0.060 -3.354 60 H GLU 9 H GLU 9 0.380 -7.833 -4.276 61 HA GLU 9 HA GLU 9 -1.957 -8.606 -2.708 62 HB2 GLU 9 HB2 GLU 9 -1.397 -10.911 -3.486 63 HB3 GLU 9 HB3 GLU 9 -1.861 -9.829 -4.794 64 HG2 GLU 9 HG2 GLU 9 0.596 -9.451 -5.207 65 HG3 GLU 9 HG3 GLU 9 0.907 -10.760 -4.073 66 H THR 10 H THR 10 -1.558 -9.440 -0.721 67 HA THR 10 HA THR 10 -0.517 -10.157 1.141 68 HB THR 10 HB THR 10 2.095 -10.462 -0.332 69 HG1 THR 10 HG1 THR 10 0.604 -11.546 -1.616 70 HG21 THR 10 HG21 THR 10 0.743 -11.951 1.904 71 HG22 THR 10 HG22 THR 10 2.067 -10.799 2.085 72 HG23 THR 10 HG23 THR 10 2.337 -12.334 1.248 73 H LYS 11 H LYS 11 0.987 -7.780 -0.817 74 HA LYS 11 HA LYS 11 2.791 -6.627 0.955 75 HB2 LYS 11 HB2 LYS 11 1.228 -5.350 -1.264 76 HB3 LYS 11 HB3 LYS 11 2.509 -4.545 -0.357 77 HG2 LYS 11 HG2 LYS 11 4.100 -6.253 -1.086 78 HG3 LYS 11 HG3 LYS 11 2.811 -7.045 -1.994 79 HD2 LYS 11 HD2 LYS 11 2.564 -5.059 -3.393 80 HD3 LYS 11 HD3 LYS 11 3.827 -4.243 -2.469 81 HE2 LYS 11 HE2 LYS 11 5.434 -5.954 -3.161 82 HE3 LYS 11 HE3 LYS 11 4.172 -6.769 -4.082 83 HZ1 LYS 11 HZ1 LYS 11 3.975 -4.766 -5.459 84 HZ2 LYS 11 HZ2 LYS 11 5.529 -5.416 -5.516 85 HZ3 LYS 11 HZ3 LYS 11 5.230 -4.042 -4.585 86 H PHE 12 H PHE 12 -0.674 -6.162 0.713 87 HA PHE 12 HA PHE 12 -0.694 -3.861 2.373 88 HB2 PHE 12 HB2 PHE 12 -2.832 -5.706 1.404 89 HB3 PHE 12 HB3 PHE 12 -3.181 -4.613 2.744 90 HD1 PHE 12 HD1 PHE 12 -1.978 -2.175 2.181 91 HD2 PHE 12 HD2 PHE 12 -3.691 -4.902 -0.590 92 HE1 PHE 12 HE1 PHE 12 -2.426 -0.315 0.656 93 HE2 PHE 12 HE2 PHE 12 -4.137 -3.036 -2.140 94 HZ PHE 12 HZ PHE 12 -3.503 -0.729 -1.494 95 H TYR 13 H TYR 13 -0.773 -7.291 2.976 96 HA TYR 13 HA TYR 13 -1.383 -7.036 5.774 97 HB2 TYR 13 HB2 TYR 13 -0.075 -9.300 4.232 98 HB3 TYR 13 HB3 TYR 13 -0.491 -9.382 5.940 99 HD1 TYR 13 HD1 TYR 13 -1.699 -9.691 2.549 100 HD2 TYR 13 HD2 TYR 13 -2.917 -9.341 6.605 101 HE1 TYR 13 HE1 TYR 13 -3.922 -10.552 1.949 102 HE2 TYR 13 HE2 TYR 13 -5.147 -10.196 6.018 103 HH TYR 13 HH TYR 13 -5.807 -11.678 3.029 104 H ASP 14 H ASP 14 1.497 -7.380 3.799 105 HA ASP 14 HA ASP 14 3.482 -7.327 5.754 106 HB2 ASP 14 HB2 ASP 14 3.935 -7.815 3.384 107 HB3 ASP 14 HB3 ASP 14 3.583 -6.146 2.983 108 H ILE 15 H ILE 15 1.994 -4.617 4.036 109 HA ILE 15 HA ILE 15 3.542 -2.575 5.117 110 HB ILE 15 HB ILE 15 0.747 -2.618 3.979 111 HG12 ILE 15 HG12 ILE 15 3.300 -1.435 2.880 112 HG13 ILE 15 HG13 ILE 15 2.713 -3.075 2.515 113 HG21 ILE 15 HG21 ILE 15 2.336 -0.176 4.815 114 HG22 ILE 15 HG22 ILE 15 0.838 -0.741 5.551 115 HG23 ILE 15 HG23 ILE 15 0.835 -0.150 3.889 116 HD11 ILE 15 HD11 ILE 15 0.685 -2.089 1.547 117 HD12 ILE 15 HD12 ILE 15 2.152 -1.548 0.736 118 HD13 ILE 15 HD13 ILE 15 1.327 -0.479 1.868 119 H LEU 16 H LEU 16 0.332 -3.709 6.169 120 HA LEU 16 HA LEU 16 0.364 -2.201 8.536 121 HB2 LEU 16 HB2 LEU 16 -1.157 -4.705 7.869 122 HB3 LEU 16 HB3 LEU 16 -1.383 -3.816 9.363 123 HG LEU 16 HG LEU 16 -1.941 -2.762 6.579 124 HD11 LEU 16 HD11 LEU 16 -4.262 -2.867 7.233 125 HD12 LEU 16 HD12 LEU 16 -3.811 -3.525 8.806 126 HD13 LEU 16 HD13 LEU 16 -3.521 -4.465 7.343 127 HD21 LEU 16 HD21 LEU 16 -2.343 -1.501 9.292 128 HD22 LEU 16 HD22 LEU 16 -2.942 -0.854 7.766 129 HD23 LEU 16 HD23 LEU 16 -1.206 -0.972 8.050 130 H GLY 17 H GLY 17 1.888 -5.215 7.780 131 HA2 GLY 17 HA2 GLY 17 3.616 -6.178 9.033 132 HA3 GLY 17 HA3 GLY 17 3.160 -5.167 10.400 133 H VAL 18 H VAL 18 0.774 -6.872 8.677 134 HA VAL 18 HA VAL 18 0.382 -8.657 10.985 135 HB VAL 18 HB VAL 18 -1.984 -8.825 10.270 136 HG11 VAL 18 HG11 VAL 18 -1.012 -6.019 10.691 137 HG12 VAL 18 HG12 VAL 18 -1.328 -7.212 11.951 138 HG13 VAL 18 HG13 VAL 18 -2.654 -6.597 10.965 139 HG21 VAL 18 HG21 VAL 18 -1.691 -8.363 7.892 140 HG22 VAL 18 HG22 VAL 18 -1.232 -6.703 8.262 141 HG23 VAL 18 HG23 VAL 18 -2.869 -7.263 8.607 142 HA PRO 19 HA PRO 19 0.973 -12.251 8.447 143 HB2 PRO 19 HB2 PRO 19 -0.924 -13.919 9.451 144 HB3 PRO 19 HB3 PRO 19 0.564 -13.534 10.321 145 HG2 PRO 19 HG2 PRO 19 -2.168 -12.327 10.639 146 HG3 PRO 19 HG3 PRO 19 -1.047 -12.906 11.890 147 HD2 PRO 19 HD2 PRO 19 -1.246 -10.311 11.317 148 HD3 PRO 19 HD3 PRO 19 0.328 -11.043 11.692 149 H VAL 20 H VAL 20 0.103 -13.199 6.565 150 HA VAL 20 HA VAL 20 -2.046 -12.076 5.255 151 HB VAL 20 HB VAL 20 -0.362 -13.575 4.186 152 HG11 VAL 20 HG11 VAL 20 -1.932 -15.810 5.459 153 HG12 VAL 20 HG12 VAL 20 -0.275 -15.344 5.842 154 HG13 VAL 20 HG13 VAL 20 -0.660 -16.005 4.253 155 HG21 VAL 20 HG21 VAL 20 -3.231 -14.387 3.718 156 HG22 VAL 20 HG22 VAL 20 -1.893 -14.666 2.603 157 HG23 VAL 20 HG23 VAL 20 -2.399 -13.019 2.978 158 H THR 21 H THR 21 -2.002 -14.470 7.764 159 HA THR 21 HA THR 21 -4.802 -15.202 7.520 160 HB THR 21 HB THR 21 -3.128 -15.943 9.877 161 HG1 THR 21 HG1 THR 21 -2.816 -17.233 7.345 162 HG21 THR 21 HG21 THR 21 -5.419 -16.786 9.660 163 HG22 THR 21 HG22 THR 21 -4.256 -18.107 9.552 164 HG23 THR 21 HG23 THR 21 -5.022 -17.485 8.091 165 H ALA 22 H ALA 22 -3.741 -12.399 8.298 166 HA ALA 22 HA ALA 22 -4.269 -11.976 11.031 167 HB1 ALA 22 HB1 ALA 22 -2.927 -10.456 9.653 168 HB2 ALA 22 HB2 ALA 22 -4.207 -9.624 10.536 169 HB3 ALA 22 HB3 ALA 22 -4.391 -9.950 8.812 170 H THR 23 H THR 23 -5.982 -11.101 12.066 171 HA THR 23 HA THR 23 -8.550 -11.169 10.625 172 HB THR 23 HB THR 23 -9.627 -11.505 12.808 173 HG1 THR 23 HG1 THR 23 -6.937 -11.437 13.792 174 HG21 THR 23 HG21 THR 23 -7.358 -13.429 12.287 175 HG22 THR 23 HG22 THR 23 -8.973 -13.499 11.583 176 HG23 THR 23 HG23 THR 23 -8.751 -13.766 13.311 177 H ASP 24 H ASP 24 -10.166 -9.659 12.068 178 HA ASP 24 HA ASP 24 -9.609 -7.045 11.359 179 HB2 ASP 24 HB2 ASP 24 -11.399 -8.012 13.595 180 HB3 ASP 24 HB3 ASP 24 -11.415 -6.397 12.902 181 H VAL 25 H VAL 25 -8.926 -8.738 14.380 182 HA VAL 25 HA VAL 25 -8.438 -6.438 15.920 183 HB VAL 25 HB VAL 25 -7.568 -9.305 16.285 184 HG11 VAL 25 HG11 VAL 25 -6.003 -7.853 17.463 185 HG12 VAL 25 HG12 VAL 25 -7.030 -8.713 18.611 186 HG13 VAL 25 HG13 VAL 25 -7.346 -7.017 18.244 187 HG21 VAL 25 HG21 VAL 25 -9.963 -8.986 16.411 188 HG22 VAL 25 HG22 VAL 25 -9.755 -7.677 17.574 189 HG23 VAL 25 HG23 VAL 25 -9.322 -9.326 18.018 190 H GLU 26 H GLU 26 -6.272 -8.618 14.103 191 HA GLU 26 HA GLU 26 -3.899 -7.264 14.956 192 HB2 GLU 26 HB2 GLU 26 -4.377 -9.136 12.627 193 HB3 GLU 26 HB3 GLU 26 -2.799 -8.492 13.053 194 HG2 GLU 26 HG2 GLU 26 -2.806 -10.617 13.971 195 HG3 GLU 26 HG3 GLU 26 -3.199 -9.579 15.340 196 H ILE 27 H ILE 27 -6.044 -7.088 12.285 197 HA ILE 27 HA ILE 27 -4.527 -5.455 10.599 198 HB ILE 27 HB ILE 27 -7.476 -6.000 10.869 199 HG12 ILE 27 HG12 ILE 27 -5.508 -6.795 8.709 200 HG13 ILE 27 HG13 ILE 27 -5.869 -7.786 10.116 201 HG21 ILE 27 HG21 ILE 27 -6.096 -4.379 8.705 202 HG22 ILE 27 HG22 ILE 27 -7.227 -3.754 9.904 203 HG23 ILE 27 HG23 ILE 27 -7.783 -4.894 8.679 204 HD11 ILE 27 HD11 ILE 27 -7.085 -8.469 8.091 205 HD12 ILE 27 HD12 ILE 27 -7.902 -6.903 8.082 206 HD13 ILE 27 HD13 ILE 27 -8.151 -8.022 9.420 207 H LYS 28 H LYS 28 -7.034 -4.649 13.007 208 HA LYS 28 HA LYS 28 -6.958 -1.916 12.444 209 HB2 LYS 28 HB2 LYS 28 -8.871 -3.115 13.393 210 HB3 LYS 28 HB3 LYS 28 -7.973 -3.332 14.887 211 HG2 LYS 28 HG2 LYS 28 -7.878 -0.965 15.210 212 HG3 LYS 28 HG3 LYS 28 -8.706 -0.704 13.673 213 HD2 LYS 28 HD2 LYS 28 -9.848 -2.216 16.014 214 HD3 LYS 28 HD3 LYS 28 -10.210 -0.530 15.629 215 HE2 LYS 28 HE2 LYS 28 -11.091 -1.237 13.436 216 HE3 LYS 28 HE3 LYS 28 -10.761 -2.915 13.852 217 HZ1 LYS 28 HZ1 LYS 28 -13.065 -2.376 14.205 218 HZ2 LYS 28 HZ2 LYS 28 -12.657 -1.120 15.253 219 HZ3 LYS 28 HZ3 LYS 28 -12.328 -2.720 15.684 220 H LYS 29 H LYS 29 -5.385 -3.874 14.938 221 HA LYS 29 HA LYS 29 -4.276 -1.607 16.214 222 HB2 LYS 29 HB2 LYS 29 -2.818 -3.159 17.457 223 HB3 LYS 29 HB3 LYS 29 -4.507 -3.620 17.515 224 HG2 LYS 29 HG2 LYS 29 -4.106 -5.331 15.839 225 HG3 LYS 29 HG3 LYS 29 -2.400 -4.881 15.764 226 HD2 LYS 29 HD2 LYS 29 -2.145 -5.436 18.150 227 HD3 LYS 29 HD3 LYS 29 -3.849 -5.877 18.230 228 HE2 LYS 29 HE2 LYS 29 -3.471 -7.682 16.649 229 HE3 LYS 29 HE3 LYS 29 -1.771 -7.231 16.505 230 HZ1 LYS 29 HZ1 LYS 29 -2.134 -9.105 17.992 231 HZ2 LYS 29 HZ2 LYS 29 -3.128 -8.163 18.973 232 HZ3 LYS 29 HZ3 LYS 29 -1.486 -7.787 18.828 233 H ALA 30 H ALA 30 -3.130 -3.714 13.701 234 HA ALA 30 HA ALA 30 -0.598 -2.638 13.432 235 HB1 ALA 30 HB1 ALA 30 -0.630 -3.534 11.200 236 HB2 ALA 30 HB2 ALA 30 -2.385 -3.720 11.279 237 HB3 ALA 30 HB3 ALA 30 -1.345 -4.684 12.329 238 H TYR 31 H TYR 31 -3.748 -1.672 12.138 239 HA TYR 31 HA TYR 31 -2.790 0.377 10.488 240 HB2 TYR 31 HB2 TYR 31 -5.023 -0.365 10.139 241 HB3 TYR 31 HB3 TYR 31 -5.464 -0.045 11.817 242 HD1 TYR 31 HD1 TYR 31 -4.270 1.714 8.741 243 HD2 TYR 31 HD2 TYR 31 -6.496 1.971 12.358 244 HE1 TYR 31 HE1 TYR 31 -5.011 3.976 8.122 245 HE2 TYR 31 HE2 TYR 31 -7.245 4.229 11.742 246 HH TYR 31 HH TYR 31 -6.947 5.494 8.655 247 H ARG 32 H ARG 32 -4.036 0.418 13.831 248 HA ARG 32 HA ARG 32 -3.584 3.181 14.067 249 HB2 ARG 32 HB2 ARG 32 -3.863 3.019 16.447 250 HB3 ARG 32 HB3 ARG 32 -5.062 2.027 15.634 251 HG2 ARG 32 HG2 ARG 32 -3.938 0.071 16.188 252 HG3 ARG 32 HG3 ARG 32 -2.514 0.926 16.756 253 HD2 ARG 32 HD2 ARG 32 -3.836 0.170 18.643 254 HD3 ARG 32 HD3 ARG 32 -3.857 1.929 18.546 255 HE ARG 32 HE ARG 32 -6.087 0.780 17.203 256 HH11 ARG 32 HH11 ARG 32 -4.844 1.610 20.375 257 HH12 ARG 32 HH12 ARG 32 -6.409 1.751 21.097 258 HH21 ARG 32 HH21 ARG 32 -8.160 0.959 18.147 259 HH22 ARG 32 HH22 ARG 32 -8.310 1.373 19.820 260 H LYS 33 H LYS 33 -1.423 0.437 14.706 261 HA LYS 33 HA LYS 33 0.606 2.159 15.843 262 HB2 LYS 33 HB2 LYS 33 2.106 0.340 15.803 263 HB3 LYS 33 HB3 LYS 33 0.544 -0.362 16.174 264 HG2 LYS 33 HG2 LYS 33 0.337 -1.070 13.829 265 HG3 LYS 33 HG3 LYS 33 1.934 -0.373 13.520 266 HD2 LYS 33 HD2 LYS 33 2.929 -1.892 15.150 267 HD3 LYS 33 HD3 LYS 33 1.345 -2.598 15.473 268 HE2 LYS 33 HE2 LYS 33 1.213 -3.363 13.154 269 HE3 LYS 33 HE3 LYS 33 2.780 -2.637 12.819 270 HZ1 LYS 33 HZ1 LYS 33 2.207 -4.899 14.650 271 HZ2 LYS 33 HZ2 LYS 33 3.709 -4.130 14.552 272 HZ3 LYS 33 HZ3 LYS 33 3.094 -4.949 13.212 273 H CYS 34 H CYS 34 0.029 0.937 12.574 274 HA CYS 34 HA CYS 34 2.352 2.109 11.492 275 HB2 CYS 34 HB2 CYS 34 -0.317 1.478 10.226 276 HB3 CYS 34 HB3 CYS 34 1.073 2.057 9.310 277 HG CYS 34 HG CYS 34 0.516 -0.959 10.701 278 H ALA 35 H ALA 35 -0.943 3.383 11.843 279 HA ALA 35 HA ALA 35 -0.441 5.882 10.638 280 HB1 ALA 35 HB1 ALA 35 -2.506 5.135 12.710 281 HB2 ALA 35 HB2 ALA 35 -2.695 5.006 10.961 282 HB3 ALA 35 HB3 ALA 35 -2.521 6.590 11.716 283 H LEU 36 H LEU 36 -0.465 4.900 14.047 284 HA LEU 36 HA LEU 36 0.165 7.463 15.058 285 HB2 LEU 36 HB2 LEU 36 0.549 4.741 16.277 286 HB3 LEU 36 HB3 LEU 36 0.905 6.232 17.125 287 HG LEU 36 HG LEU 36 -1.816 5.473 16.060 288 HD11 LEU 36 HD11 LEU 36 -0.728 5.361 18.866 289 HD12 LEU 36 HD12 LEU 36 -1.169 3.985 17.854 290 HD13 LEU 36 HD13 LEU 36 -2.412 5.106 18.408 291 HD21 LEU 36 HD21 LEU 36 -0.924 7.734 17.848 292 HD22 LEU 36 HD22 LEU 36 -2.596 7.340 17.455 293 HD23 LEU 36 HD23 LEU 36 -1.498 7.881 16.187 294 H LYS 37 H LYS 37 2.205 4.785 14.114 295 HA LYS 37 HA LYS 37 4.618 5.874 15.067 296 HB2 LYS 37 HB2 LYS 37 3.980 3.804 12.988 297 HB3 LYS 37 HB3 LYS 37 5.642 4.226 13.420 298 HG2 LYS 37 HG2 LYS 37 5.317 3.445 15.656 299 HG3 LYS 37 HG3 LYS 37 3.578 3.293 15.401 300 HD2 LYS 37 HD2 LYS 37 4.575 1.120 15.328 301 HD3 LYS 37 HD3 LYS 37 4.016 1.556 13.720 302 HE2 LYS 37 HE2 LYS 37 6.291 2.193 13.077 303 HE3 LYS 37 HE3 LYS 37 6.866 1.803 14.696 304 HZ1 LYS 37 HZ1 LYS 37 7.331 0.026 13.149 305 HZ2 LYS 37 HZ2 LYS 37 5.697 -0.113 12.758 306 HZ3 LYS 37 HZ3 LYS 37 6.225 -0.501 14.312 307 H TYR 38 H TYR 38 3.047 6.134 11.855 308 HA TYR 38 HA TYR 38 5.097 8.155 11.179 309 HB2 TYR 38 HB2 TYR 38 3.890 6.003 9.488 310 HB3 TYR 38 HB3 TYR 38 4.697 7.390 8.759 311 HD1 TYR 38 HD1 TYR 38 5.139 4.352 10.790 312 HD2 TYR 38 HD2 TYR 38 7.102 7.657 8.973 313 HE1 TYR 38 HE1 TYR 38 7.310 3.265 11.169 314 HE2 TYR 38 HE2 TYR 38 9.274 6.579 9.337 315 HH TYR 38 HH TYR 38 10.223 4.892 10.947 316 H HIS 39 H HIS 39 2.232 8.522 12.195 317 HA HIS 39 HA HIS 39 0.780 9.770 10.103 318 HB2 HIS 39 HB2 HIS 39 -0.552 10.852 11.868 319 HB3 HIS 39 HB3 HIS 39 -0.317 9.142 12.201 320 HD2 HIS 39 HD2 HIS 39 2.796 9.854 13.564 321 HE1 HIS 39 HE1 HIS 39 0.315 11.606 16.509 322 HE2 HIS 39 HE2 HIS 39 2.439 10.362 16.072 323 HA PRO 40 HA PRO 40 2.926 13.558 9.377 324 HB2 PRO 40 HB2 PRO 40 0.811 15.176 8.733 325 HB3 PRO 40 HB3 PRO 40 1.497 13.969 7.634 326 HG2 PRO 40 HG2 PRO 40 -0.907 13.765 9.410 327 HG3 PRO 40 HG3 PRO 40 -0.721 13.256 7.721 328 HD2 PRO 40 HD2 PRO 40 -0.597 11.490 9.719 329 HD3 PRO 40 HD3 PRO 40 0.464 11.345 8.299 330 H ASP 41 H ASP 41 0.404 13.371 11.719 331 HA ASP 41 HA ASP 41 0.424 15.953 12.789 332 HB2 ASP 41 HB2 ASP 41 -1.307 14.329 13.341 333 HB3 ASP 41 HB3 ASP 41 -0.127 13.333 14.187 334 H LYS 42 H LYS 42 2.734 13.396 13.132 335 HA LYS 42 HA LYS 42 4.253 15.061 14.969 336 HB2 LYS 42 HB2 LYS 42 3.721 12.122 15.412 337 HB3 LYS 42 HB3 LYS 42 4.973 13.017 16.255 338 HG2 LYS 42 HG2 LYS 42 3.253 14.514 17.171 339 HG3 LYS 42 HG3 LYS 42 2.016 13.543 16.378 340 HD2 LYS 42 HD2 LYS 42 2.755 11.579 17.664 341 HD3 LYS 42 HD3 LYS 42 3.954 12.581 18.484 342 HE2 LYS 42 HE2 LYS 42 0.965 12.995 18.564 343 HE3 LYS 42 HE3 LYS 42 1.930 12.262 19.844 344 HZ1 LYS 42 HZ1 LYS 42 3.118 14.352 20.096 345 HZ2 LYS 42 HZ2 LYS 42 1.458 14.592 20.289 346 HZ3 LYS 42 HZ3 LYS 42 2.211 15.050 18.851 347 H ASN 43 H ASN 43 4.074 12.957 12.323 348 HA ASN 43 HA ASN 43 6.990 12.895 12.039 349 HB2 ASN 43 HB2 ASN 43 4.872 11.140 10.787 350 HB3 ASN 43 HB3 ASN 43 6.586 11.018 10.456 351 HD21 ASN 43 HD21 ASN 43 4.076 10.409 12.671 352 HD22 ASN 43 HD22 ASN 43 4.980 9.416 13.771 353 HA PRO 44 HA PRO 44 5.820 16.034 9.013 354 HB2 PRO 44 HB2 PRO 44 8.292 17.026 8.631 355 HB3 PRO 44 HB3 PRO 44 7.341 17.388 10.076 356 HG2 PRO 44 HG2 PRO 44 9.525 15.372 9.710 357 HG3 PRO 44 HG3 PRO 44 9.272 16.517 11.040 358 HD2 PRO 44 HD2 PRO 44 8.561 13.907 11.193 359 HD3 PRO 44 HD3 PRO 44 7.665 15.206 12.039 360 H SER 45 H SER 45 7.956 13.346 8.570 361 HA SER 45 HA SER 45 8.939 13.904 5.998 362 HB2 SER 45 HB2 SER 45 8.353 11.145 6.880 363 HB3 SER 45 HB3 SER 45 9.724 11.749 5.970 364 HG SER 45 HG SER 45 10.049 11.216 8.318 365 H GLU 46 H GLU 46 8.228 13.604 4.094 366 HA GLU 46 HA GLU 46 5.509 13.356 3.501 367 HB2 GLU 46 HB2 GLU 46 7.943 13.088 1.732 368 HB3 GLU 46 HB3 GLU 46 6.303 13.032 1.110 369 HG2 GLU 46 HG2 GLU 46 6.831 15.222 0.738 370 HG3 GLU 46 HG3 GLU 46 6.075 15.337 2.321 371 H GLU 47 H GLU 47 8.140 11.057 3.389 372 HA GLU 47 HA GLU 47 6.855 8.835 2.238 373 HB2 GLU 47 HB2 GLU 47 9.021 9.053 4.297 374 HB3 GLU 47 HB3 GLU 47 8.549 7.528 3.567 375 HG2 GLU 47 HG2 GLU 47 9.676 9.901 2.100 376 HG3 GLU 47 HG3 GLU 47 10.574 8.455 2.557 377 H ALA 48 H ALA 48 7.112 9.972 5.506 378 HA ALA 48 HA ALA 48 5.909 7.800 6.823 379 HB1 ALA 48 HB1 ALA 48 5.596 9.329 8.709 380 HB2 ALA 48 HB2 ALA 48 5.942 10.698 7.653 381 HB3 ALA 48 HB3 ALA 48 7.204 9.519 8.007 382 H ALA 49 H ALA 49 4.702 10.723 5.552 383 HA ALA 49 HA ALA 49 1.985 10.378 6.241 384 HB1 ALA 49 HB1 ALA 49 3.145 11.952 3.941 385 HB2 ALA 49 HB2 ALA 49 2.899 12.551 5.581 386 HB3 ALA 49 HB3 ALA 49 1.511 12.111 4.586 387 H GLU 50 H GLU 50 3.887 9.480 3.429 388 HA GLU 50 HA GLU 50 1.783 8.469 1.847 389 HB2 GLU 50 HB2 GLU 50 4.669 7.572 1.901 390 HB3 GLU 50 HB3 GLU 50 3.519 7.280 0.604 391 HG2 GLU 50 HG2 GLU 50 3.324 9.883 0.611 392 HG3 GLU 50 HG3 GLU 50 4.911 9.773 1.408 393 H LYS 51 H LYS 51 3.879 6.984 4.244 394 HA LYS 51 HA LYS 51 3.022 4.327 4.032 395 HB2 LYS 51 HB2 LYS 51 4.022 5.917 6.383 396 HB3 LYS 51 HB3 LYS 51 3.746 4.179 6.434 397 HG2 LYS 51 HG2 LYS 51 5.413 3.833 4.726 398 HG3 LYS 51 HG3 LYS 51 5.638 5.576 4.563 399 HD2 LYS 51 HD2 LYS 51 7.394 4.609 5.933 400 HD3 LYS 51 HD3 LYS 51 6.374 5.695 6.886 401 HE2 LYS 51 HE2 LYS 51 6.886 3.646 8.110 402 HE3 LYS 51 HE3 LYS 51 5.161 3.781 7.799 403 HZ1 LYS 51 HZ1 LYS 51 5.981 1.536 7.374 404 HZ2 LYS 51 HZ2 LYS 51 7.078 2.126 6.227 405 HZ3 LYS 51 HZ3 LYS 51 5.419 2.236 5.941 406 H PHE 52 H PHE 52 1.836 7.001 5.925 407 HA PHE 52 HA PHE 52 -0.201 5.735 7.341 408 HB2 PHE 52 HB2 PHE 52 0.441 8.050 7.801 409 HB3 PHE 52 HB3 PHE 52 -0.160 8.551 6.221 410 HD1 PHE 52 HD1 PHE 52 -1.086 7.708 9.636 411 HD2 PHE 52 HD2 PHE 52 -2.575 8.554 5.740 412 HE1 PHE 52 HE1 PHE 52 -3.339 8.064 10.569 413 HE2 PHE 52 HE2 PHE 52 -4.817 8.902 6.655 414 HZ PHE 52 HZ PHE 52 -5.206 8.666 9.081 415 H LYS 53 H LYS 53 -0.247 7.192 4.109 416 HA LYS 53 HA LYS 53 -2.975 6.762 3.567 417 HB2 LYS 53 HB2 LYS 53 -0.602 7.047 1.724 418 HB3 LYS 53 HB3 LYS 53 -2.259 6.946 1.150 419 HG2 LYS 53 HG2 LYS 53 -1.239 9.057 3.041 420 HG3 LYS 53 HG3 LYS 53 -1.387 9.258 1.290 421 HD2 LYS 53 HD2 LYS 53 -3.796 8.795 1.462 422 HD3 LYS 53 HD3 LYS 53 -3.630 8.649 3.211 423 HE2 LYS 53 HE2 LYS 53 -2.892 10.970 3.340 424 HE3 LYS 53 HE3 LYS 53 -3.033 11.116 1.587 425 HZ1 LYS 53 HZ1 LYS 53 -4.962 12.010 2.814 426 HZ2 LYS 53 HZ2 LYS 53 -5.300 10.456 3.386 427 HZ3 LYS 53 HZ3 LYS 53 -5.375 10.779 1.733 428 H GLU 54 H GLU 54 -0.118 4.723 2.971 429 HA GLU 54 HA GLU 54 -1.481 2.692 1.562 430 HB2 GLU 54 HB2 GLU 54 1.044 2.646 3.205 431 HB3 GLU 54 HB3 GLU 54 0.481 1.297 2.230 432 HG2 GLU 54 HG2 GLU 54 0.651 2.636 0.233 433 HG3 GLU 54 HG3 GLU 54 1.144 4.027 1.198 434 H ALA 55 H ALA 55 -0.780 3.241 4.960 435 HA ALA 55 HA ALA 55 -1.707 0.753 5.930 436 HB1 ALA 55 HB1 ALA 55 -0.278 2.239 7.258 437 HB2 ALA 55 HB2 ALA 55 -1.770 1.850 8.114 438 HB3 ALA 55 HB3 ALA 55 -1.583 3.423 7.337 439 H SER 56 H SER 56 -3.203 3.855 5.328 440 HA SER 56 HA SER 56 -5.706 3.217 6.456 441 HB2 SER 56 HB2 SER 56 -5.098 5.542 6.124 442 HB3 SER 56 HB3 SER 56 -5.014 5.335 4.383 443 HG SER 56 HG SER 56 -7.410 4.485 5.261 444 H ALA 57 H ALA 57 -4.458 2.952 3.107 445 HA ALA 57 HA ALA 57 -6.935 2.092 1.997 446 HB1 ALA 57 HB1 ALA 57 -5.084 2.954 0.622 447 HB2 ALA 57 HB2 ALA 57 -5.606 1.360 0.078 448 HB3 ALA 57 HB3 ALA 57 -4.127 1.528 1.024 449 H ALA 58 H ALA 58 -4.197 0.384 3.337 450 HA ALA 58 HA ALA 58 -5.008 -2.249 2.860 451 HB1 ALA 58 HB1 ALA 58 -3.459 -2.889 4.569 452 HB2 ALA 58 HB2 ALA 58 -3.533 -1.292 5.307 453 HB3 ALA 58 HB3 ALA 58 -2.762 -1.496 3.739 454 H TYR 59 H TYR 59 -5.585 -0.054 5.547 455 HA TYR 59 HA TYR 59 -7.167 -1.740 7.114 456 HB2 TYR 59 HB2 TYR 59 -6.153 0.331 7.909 457 HB3 TYR 59 HB3 TYR 59 -7.209 1.269 6.866 458 HD1 TYR 59 HD1 TYR 59 -7.175 -1.024 9.782 459 HD2 TYR 59 HD2 TYR 59 -9.341 1.923 7.618 460 HE1 TYR 59 HE1 TYR 59 -8.794 -0.873 11.622 461 HE2 TYR 59 HE2 TYR 59 -10.970 2.080 9.453 462 HH TYR 59 HH TYR 59 -10.404 0.819 12.509 463 H GLU 60 H GLU 60 -7.959 0.408 4.456 464 HA GLU 60 HA GLU 60 -10.706 0.500 4.764 465 HB2 GLU 60 HB2 GLU 60 -9.098 0.574 2.213 466 HB3 GLU 60 HB3 GLU 60 -10.801 0.985 2.322 467 HG2 GLU 60 HG2 GLU 60 -8.488 2.427 3.587 468 HG3 GLU 60 HG3 GLU 60 -9.514 2.990 2.272 469 H ILE 61 H ILE 61 -8.681 -1.879 3.093 470 HA ILE 61 HA ILE 61 -11.099 -3.414 2.406 471 HB ILE 61 HB ILE 61 -9.522 -4.955 1.230 472 HG12 ILE 61 HG12 ILE 61 -7.479 -2.785 1.759 473 HG13 ILE 61 HG13 ILE 61 -7.490 -4.368 2.524 474 HG21 ILE 61 HG21 ILE 61 -9.138 -3.434 -0.669 475 HG22 ILE 61 HG22 ILE 61 -9.498 -2.062 0.378 476 HG23 ILE 61 HG23 ILE 61 -10.750 -3.251 0.021 477 HD11 ILE 61 HD11 ILE 61 -7.158 -3.834 -0.416 478 HD12 ILE 61 HD12 ILE 61 -7.158 -5.421 0.354 479 HD13 ILE 61 HD13 ILE 61 -5.878 -4.263 0.718 480 H LEU 62 H LEU 62 -8.093 -3.894 4.159 481 HA LEU 62 HA LEU 62 -8.659 -6.472 5.014 482 HB2 LEU 62 HB2 LEU 62 -6.897 -4.341 6.120 483 HB3 LEU 62 HB3 LEU 62 -6.847 -6.016 6.689 484 HG LEU 62 HG LEU 62 -6.202 -4.985 3.925 485 HD11 LEU 62 HD11 LEU 62 -4.459 -4.522 5.517 486 HD12 LEU 62 HD12 LEU 62 -3.940 -5.796 4.414 487 HD13 LEU 62 HD13 LEU 62 -4.454 -6.202 6.051 488 HD21 LEU 62 HD21 LEU 62 -6.215 -7.819 4.962 489 HD22 LEU 62 HD22 LEU 62 -5.513 -7.312 3.427 490 HD23 LEU 62 HD23 LEU 62 -7.247 -7.145 3.698 491 H SER 63 H SER 63 -9.415 -3.374 6.627 492 HA SER 63 HA SER 63 -10.259 -4.532 9.083 493 HB2 SER 63 HB2 SER 63 -9.679 -2.118 8.783 494 HB3 SER 63 HB3 SER 63 -11.168 -1.913 7.871 495 HG SER 63 HG SER 63 -11.584 -3.132 10.284 496 H ASP 64 H ASP 64 -11.620 -4.784 6.058 497 HA ASP 64 HA ASP 64 -14.246 -5.354 7.230 498 HB2 ASP 64 HB2 ASP 64 -13.613 -4.431 4.418 499 HB3 ASP 64 HB3 ASP 64 -15.173 -5.087 4.892 500 HA PRO 65 HA PRO 65 -12.656 -9.477 6.680 501 HB2 PRO 65 HB2 PRO 65 -15.571 -9.979 7.090 502 HB3 PRO 65 HB3 PRO 65 -14.176 -10.758 7.855 503 HG2 PRO 65 HG2 PRO 65 -15.554 -8.948 9.165 504 HG3 PRO 65 HG3 PRO 65 -13.778 -8.939 9.270 505 HD2 PRO 65 HD2 PRO 65 -15.629 -7.160 7.738 506 HD3 PRO 65 HD3 PRO 65 -14.109 -6.757 8.558 507 H GLU 66 H GLU 66 -15.460 -8.228 5.032 508 HA GLU 66 HA GLU 66 -15.545 -10.454 3.182 509 HB2 GLU 66 HB2 GLU 66 -17.075 -7.862 3.206 510 HB3 GLU 66 HB3 GLU 66 -17.201 -9.030 1.895 511 HG2 GLU 66 HG2 GLU 66 -17.864 -9.519 4.787 512 HG3 GLU 66 HG3 GLU 66 -19.011 -9.324 3.460 513 H LYS 67 H LYS 67 -14.271 -7.208 3.279 514 HA LYS 67 HA LYS 67 -13.550 -7.081 0.545 515 HB2 LYS 67 HB2 LYS 67 -12.856 -5.584 3.045 516 HB3 LYS 67 HB3 LYS 67 -12.184 -5.138 1.462 517 HG2 LYS 67 HG2 LYS 67 -15.114 -5.203 2.184 518 HG3 LYS 67 HG3 LYS 67 -14.108 -3.757 2.167 519 HD2 LYS 67 HD2 LYS 67 -13.665 -4.136 -0.238 520 HD3 LYS 67 HD3 LYS 67 -14.758 -5.522 -0.192 521 HE2 LYS 67 HE2 LYS 67 -16.588 -4.050 0.494 522 HE3 LYS 67 HE3 LYS 67 -15.496 -2.669 0.440 523 HZ1 LYS 67 HZ1 LYS 67 -16.799 -2.786 -1.565 524 HZ2 LYS 67 HZ2 LYS 67 -16.286 -4.369 -1.857 525 HZ3 LYS 67 HZ3 LYS 67 -15.179 -3.100 -1.938 526 H ARG 68 H ARG 68 -12.217 -8.081 3.559 527 HA ARG 68 HA ARG 68 -9.516 -8.254 2.869 528 HB2 ARG 68 HB2 ARG 68 -10.899 -8.312 5.143 529 HB3 ARG 68 HB3 ARG 68 -10.777 -10.044 4.887 530 HG2 ARG 68 HG2 ARG 68 -8.199 -8.920 4.493 531 HG3 ARG 68 HG3 ARG 68 -8.853 -8.292 5.997 532 HD2 ARG 68 HD2 ARG 68 -7.681 -10.292 6.528 533 HD3 ARG 68 HD3 ARG 68 -9.404 -10.634 6.658 534 HE ARG 68 HE ARG 68 -7.789 -11.381 4.308 535 HH11 ARG 68 HH11 ARG 68 -10.175 -12.145 6.761 536 HH12 ARG 68 HH12 ARG 68 -10.530 -13.707 6.121 537 HH21 ARG 68 HH21 ARG 68 -8.250 -13.491 3.467 538 HH22 ARG 68 HH22 ARG 68 -9.435 -14.473 4.253 539 H ASP 69 H ASP 69 -12.223 -10.566 2.921 540 HA ASP 69 HA ASP 69 -10.673 -12.750 1.963 541 HB2 ASP 69 HB2 ASP 69 -13.626 -12.314 2.259 542 HB3 ASP 69 HB3 ASP 69 -13.025 -13.696 1.349 543 H ILE 70 H ILE 70 -12.671 -10.324 0.455 544 HA ILE 70 HA ILE 70 -12.559 -11.293 -2.175 545 HB ILE 70 HB ILE 70 -12.765 -8.544 -0.996 546 HG12 ILE 70 HG12 ILE 70 -14.703 -9.955 -0.666 547 HG13 ILE 70 HG13 ILE 70 -15.105 -8.657 -1.783 548 HG21 ILE 70 HG21 ILE 70 -12.953 -9.253 -3.944 549 HG22 ILE 70 HG22 ILE 70 -11.713 -8.255 -3.186 550 HG23 ILE 70 HG23 ILE 70 -13.381 -7.687 -3.256 551 HD11 ILE 70 HD11 ILE 70 -16.097 -10.716 -2.527 552 HD12 ILE 70 HD12 ILE 70 -14.534 -11.529 -2.487 553 HD13 ILE 70 HD13 ILE 70 -14.829 -10.242 -3.657 554 H TYR 71 H TYR 71 -10.478 -9.041 -0.427 555 HA TYR 71 HA TYR 71 -8.518 -8.713 -2.409 556 HB2 TYR 71 HB2 TYR 71 -8.586 -7.234 -0.498 557 HB3 TYR 71 HB3 TYR 71 -8.294 -8.574 0.604 558 HD1 TYR 71 HD1 TYR 71 -6.704 -6.904 -2.338 559 HD2 TYR 71 HD2 TYR 71 -6.145 -8.882 1.384 560 HE1 TYR 71 HE1 TYR 71 -4.290 -6.472 -2.475 561 HE2 TYR 71 HE2 TYR 71 -3.729 -8.458 1.254 562 HH TYR 71 HH TYR 71 -2.370 -6.470 -1.315 563 H ASP 72 H ASP 72 -8.753 -11.042 0.195 564 HA ASP 72 HA ASP 72 -6.331 -12.385 -0.135 565 HB2 ASP 72 HB2 ASP 72 -7.833 -12.617 1.797 566 HB3 ASP 72 HB3 ASP 72 -9.009 -13.440 0.784 567 H GLN 73 H GLN 73 -9.509 -13.063 -1.557 568 HA GLN 73 HA GLN 73 -8.729 -15.424 -2.939 569 HB2 GLN 73 HB2 GLN 73 -11.108 -13.604 -3.270 570 HB3 GLN 73 HB3 GLN 73 -10.913 -15.128 -4.124 571 HG2 GLN 73 HG2 GLN 73 -10.914 -16.339 -2.031 572 HG3 GLN 73 HG3 GLN 73 -10.998 -14.821 -1.137 573 HE21 GLN 73 HE21 GLN 73 -12.904 -13.671 -1.108 574 HE22 GLN 73 HE22 GLN 73 -14.419 -14.358 -1.580 575 H PHE 74 H PHE 74 -9.051 -12.046 -3.908 576 HA PHE 74 HA PHE 74 -8.248 -12.714 -6.635 577 HB2 PHE 74 HB2 PHE 74 -9.147 -10.115 -5.378 578 HB3 PHE 74 HB3 PHE 74 -8.619 -10.253 -7.051 579 HD1 PHE 74 HD1 PHE 74 -11.264 -11.083 -4.651 580 HD2 PHE 74 HD2 PHE 74 -10.004 -11.330 -8.705 581 HE1 PHE 74 HE1 PHE 74 -13.546 -11.706 -5.318 582 HE2 PHE 74 HE2 PHE 74 -12.285 -11.955 -9.379 583 HZ PHE 74 HZ PHE 74 -14.060 -12.144 -7.685 584 H GLY 75 H GLY 75 -6.729 -12.217 -3.835 585 HA2 GLY 75 HA2 GLY 75 -4.470 -10.735 -4.966 586 HA3 GLY 75 HA3 GLY 75 -4.710 -11.125 -3.266 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 10.885 3.887 -4.802 2 H2 GLY 1 HT2 GLY 1 12.077 5.081 -4.872 3 H3 GLY 1 HT3 GLY 1 12.077 3.949 -3.610 4 HA2 GLY 1 HA3 GLY 1 13.763 3.431 -5.264 5 HA3 GLY 1 HA2 GLY 1 12.547 2.171 -5.122 6 H GLU 2 H GLU 2 13.404 1.626 -7.268 7 HA GLU 2 HA GLU 2 12.750 3.390 -9.448 8 HB2 GLU 2 HB2 GLU 2 13.801 0.561 -9.450 9 HB3 GLU 2 HB3 GLU 2 13.661 1.596 -10.865 10 HG2 GLU 2 HG2 GLU 2 15.251 3.160 -9.904 11 HG3 GLU 2 HG3 GLU 2 15.368 2.168 -8.454 12 H PHE 3 H PHE 3 11.305 2.957 -11.109 13 HA PHE 3 HA PHE 3 9.352 2.395 -12.068 14 HB2 PHE 3 HB2 PHE 3 9.626 -0.166 -10.480 15 HB3 PHE 3 HB3 PHE 3 8.441 0.106 -11.752 16 HD1 PHE 3 HD1 PHE 3 11.775 -0.921 -10.989 17 HD2 PHE 3 HD2 PHE 3 9.298 0.619 -14.083 18 HE1 PHE 3 HE1 PHE 3 13.410 -1.668 -12.668 19 HE2 PHE 3 HE2 PHE 3 10.928 -0.124 -15.764 20 HZ PHE 3 HZ PHE 3 12.987 -1.270 -15.058 21 H GLY 4 H GLY 4 9.519 3.726 -9.422 22 HA2 GLY 4 HA2 GLY 4 7.987 4.793 -8.093 23 HA3 GLY 4 HA3 GLY 4 6.720 4.042 -9.049 24 H SER 5 H SER 5 5.566 3.801 -7.058 25 HA SER 5 HA SER 5 6.642 1.934 -5.131 26 HB2 SER 5 HB2 SER 5 3.928 3.277 -5.280 27 HB3 SER 5 HB3 SER 5 4.573 2.382 -3.903 28 HG SER 5 HG SER 5 5.568 4.113 -3.311 29 H MET 6 H MET 6 6.299 -0.203 -5.240 30 HA MET 6 HA MET 6 4.158 -1.151 -7.023 31 HB2 MET 6 HB2 MET 6 6.964 -2.224 -6.769 32 HB3 MET 6 HB3 MET 6 5.672 -3.037 -7.631 33 HG2 MET 6 HG2 MET 6 5.493 -1.057 -9.111 34 HG3 MET 6 HG3 MET 6 6.902 -0.379 -8.298 35 HE1 MET 6 HE1 MET 6 9.770 -2.777 -9.294 36 HE2 MET 6 HE2 MET 6 8.832 -2.757 -7.802 37 HE3 MET 6 HE3 MET 6 9.332 -1.240 -8.548 38 H VAL 7 H VAL 7 2.818 -2.538 -6.152 39 HA VAL 7 HA VAL 7 3.739 -4.344 -4.060 40 HB VAL 7 HB VAL 7 1.514 -4.054 -2.861 41 HG11 VAL 7 HG11 VAL 7 2.227 -2.044 -1.624 42 HG12 VAL 7 HG12 VAL 7 3.410 -1.712 -2.890 43 HG13 VAL 7 HG13 VAL 7 3.556 -3.168 -1.907 44 HG21 VAL 7 HG21 VAL 7 0.315 -1.952 -3.164 45 HG22 VAL 7 HG22 VAL 7 0.344 -2.870 -4.671 46 HG23 VAL 7 HG23 VAL 7 1.422 -1.494 -4.457 47 H LYS 8 H LYS 8 3.015 -6.397 -4.329 48 HA LYS 8 HA LYS 8 1.646 -7.139 -6.652 49 HB2 LYS 8 HB2 LYS 8 2.197 -8.722 -4.138 50 HB3 LYS 8 HB3 LYS 8 1.720 -9.398 -5.685 51 HG2 LYS 8 HG2 LYS 8 4.272 -7.882 -5.171 52 HG3 LYS 8 HG3 LYS 8 4.123 -9.637 -5.235 53 HD2 LYS 8 HD2 LYS 8 3.299 -9.434 -7.565 54 HD3 LYS 8 HD3 LYS 8 3.586 -7.695 -7.481 55 HE2 LYS 8 HE2 LYS 8 5.684 -9.833 -7.117 56 HE3 LYS 8 HE3 LYS 8 5.425 -8.904 -8.592 57 HZ1 LYS 8 HZ1 LYS 8 6.206 -7.780 -5.955 58 HZ2 LYS 8 HZ2 LYS 8 5.964 -6.890 -7.368 59 HZ3 LYS 8 HZ3 LYS 8 7.235 -7.999 -7.277 60 H GLU 9 H GLU 9 -0.216 -8.632 -6.576 61 HA GLU 9 HA GLU 9 -2.573 -7.408 -5.695 62 HB2 GLU 9 HB2 GLU 9 -2.472 -9.234 -7.421 63 HB3 GLU 9 HB3 GLU 9 -2.230 -10.391 -6.122 64 HG2 GLU 9 HG2 GLU 9 -4.406 -9.912 -5.218 65 HG3 GLU 9 HG3 GLU 9 -4.641 -8.610 -6.378 66 H THR 10 H THR 10 -4.092 -8.146 -3.984 67 HA THR 10 HA THR 10 -4.567 -8.136 -1.810 68 HB THR 10 HB THR 10 -3.501 -9.666 -0.210 69 HG1 THR 10 HG1 THR 10 -1.396 -9.575 -1.996 70 HG21 THR 10 HG21 THR 10 -5.052 -10.670 -1.775 71 HG22 THR 10 HG22 THR 10 -3.756 -11.805 -1.395 72 HG23 THR 10 HG23 THR 10 -3.746 -10.935 -2.929 73 H LYS 11 H LYS 11 -3.516 -6.156 -2.839 74 HA LYS 11 HA LYS 11 -1.139 -4.997 -1.971 75 HB2 LYS 11 HB2 LYS 11 -3.725 -3.680 -2.777 76 HB3 LYS 11 HB3 LYS 11 -2.229 -2.801 -2.510 77 HG2 LYS 11 HG2 LYS 11 -1.180 -4.178 -4.298 78 HG3 LYS 11 HG3 LYS 11 -2.767 -4.880 -4.610 79 HD2 LYS 11 HD2 LYS 11 -2.150 -1.928 -4.738 80 HD3 LYS 11 HD3 LYS 11 -2.187 -2.994 -6.138 81 HE2 LYS 11 HE2 LYS 11 -4.513 -2.476 -4.279 82 HE3 LYS 11 HE3 LYS 11 -4.281 -1.710 -5.847 83 HZ1 LYS 11 HZ1 LYS 11 -4.602 -4.625 -5.403 84 HZ2 LYS 11 HZ2 LYS 11 -4.434 -3.862 -6.899 85 HZ3 LYS 11 HZ3 LYS 11 -5.810 -3.590 -5.963 86 H PHE 12 H PHE 12 -4.322 -4.915 -0.441 87 HA PHE 12 HA PHE 12 -3.491 -2.934 1.425 88 HB2 PHE 12 HB2 PHE 12 -5.961 -4.597 1.196 89 HB3 PHE 12 HB3 PHE 12 -5.620 -3.738 2.699 90 HD1 PHE 12 HD1 PHE 12 -7.623 -3.467 0.049 91 HD2 PHE 12 HD2 PHE 12 -4.516 -1.232 1.899 92 HE1 PHE 12 HE1 PHE 12 -8.552 -1.390 -0.892 93 HE2 PHE 12 HE2 PHE 12 -5.439 0.841 0.971 94 HZ PHE 12 HZ PHE 12 -7.457 0.770 -0.418 95 H TYR 13 H TYR 13 -3.437 -6.417 1.388 96 HA TYR 13 HA TYR 13 -2.864 -6.688 4.184 97 HB2 TYR 13 HB2 TYR 13 -2.273 -8.530 1.852 98 HB3 TYR 13 HB3 TYR 13 -1.962 -8.943 3.533 99 HD1 TYR 13 HD1 TYR 13 -4.488 -8.617 0.935 100 HD2 TYR 13 HD2 TYR 13 -3.853 -9.362 5.067 101 HE1 TYR 13 HE1 TYR 13 -6.744 -9.572 1.103 102 HE2 TYR 13 HE2 TYR 13 -6.114 -10.307 5.252 103 HH TYR 13 HH TYR 13 -8.008 -11.054 2.482 104 H ASP 14 H ASP 14 -0.935 -6.609 1.229 105 HA ASP 14 HA ASP 14 1.601 -6.708 2.398 106 HB2 ASP 14 HB2 ASP 14 0.543 -5.871 -0.227 107 HB3 ASP 14 HB3 ASP 14 2.160 -5.313 0.191 108 H ILE 15 H ILE 15 -0.383 -3.886 1.627 109 HA ILE 15 HA ILE 15 1.532 -1.957 2.289 110 HB ILE 15 HB ILE 15 -1.471 -1.908 2.317 111 HG12 ILE 15 HG12 ILE 15 0.507 -0.498 0.517 112 HG13 ILE 15 HG13 ILE 15 -0.245 -2.068 0.158 113 HG21 ILE 15 HG21 ILE 15 -1.349 0.556 2.575 114 HG22 ILE 15 HG22 ILE 15 0.385 0.423 2.866 115 HG23 ILE 15 HG23 ILE 15 -0.757 -0.293 4.003 116 HD11 ILE 15 HD11 ILE 15 -2.440 -0.993 0.169 117 HD12 ILE 15 HD12 ILE 15 -1.356 -0.257 -1.013 118 HD13 ILE 15 HD13 ILE 15 -1.677 0.559 0.516 119 H LEU 16 H LEU 16 -1.036 -3.338 4.340 120 HA LEU 16 HA LEU 16 -0.112 -2.144 6.705 121 HB2 LEU 16 HB2 LEU 16 -1.720 -4.656 6.321 122 HB3 LEU 16 HB3 LEU 16 -1.379 -3.966 7.895 123 HG LEU 16 HG LEU 16 -2.982 -2.635 5.700 124 HD11 LEU 16 HD11 LEU 16 -4.112 -4.543 6.718 125 HD12 LEU 16 HD12 LEU 16 -4.879 -3.016 7.156 126 HD13 LEU 16 HD13 LEU 16 -3.843 -3.848 8.316 127 HD21 LEU 16 HD21 LEU 16 -3.522 -0.986 7.448 128 HD22 LEU 16 HD22 LEU 16 -1.806 -0.990 7.046 129 HD23 LEU 16 HD23 LEU 16 -2.366 -1.768 8.526 130 H GLY 17 H GLY 17 1.003 -4.970 5.037 131 HA2 GLY 17 HA2 GLY 17 3.132 -5.916 5.405 132 HA3 GLY 17 HA3 GLY 17 3.152 -5.186 7.007 133 H VAL 18 H VAL 18 0.342 -6.761 5.974 134 HA VAL 18 HA VAL 18 0.886 -8.972 7.849 135 HB VAL 18 HB VAL 18 -1.566 -9.221 8.075 136 HG11 VAL 18 HG11 VAL 18 -0.314 -7.915 9.682 137 HG12 VAL 18 HG12 VAL 18 -1.925 -7.240 9.434 138 HG13 VAL 18 HG13 VAL 18 -0.522 -6.476 8.684 139 HG21 VAL 18 HG21 VAL 18 -3.044 -7.428 7.271 140 HG22 VAL 18 HG22 VAL 18 -2.267 -8.288 5.941 141 HG23 VAL 18 HG23 VAL 18 -1.679 -6.699 6.425 142 HA PRO 19 HA PRO 19 0.462 -11.905 4.550 143 HB2 PRO 19 HB2 PRO 19 -0.705 -13.979 5.856 144 HB3 PRO 19 HB3 PRO 19 0.996 -13.556 6.091 145 HG2 PRO 19 HG2 PRO 19 -1.383 -12.848 7.771 146 HG3 PRO 19 HG3 PRO 19 0.207 -13.453 8.282 147 HD2 PRO 19 HD2 PRO 19 -0.427 -10.848 8.423 148 HD3 PRO 19 HD3 PRO 19 1.215 -11.373 8.009 149 H VAL 20 H VAL 20 -1.151 -12.871 3.198 150 HA VAL 20 HA VAL 20 -3.644 -11.647 3.057 151 HB VAL 20 HB VAL 20 -2.774 -14.368 2.030 152 HG11 VAL 20 HG11 VAL 20 -4.638 -14.194 0.444 153 HG12 VAL 20 HG12 VAL 20 -5.179 -12.725 1.255 154 HG13 VAL 20 HG13 VAL 20 -5.193 -14.264 2.116 155 HG21 VAL 20 HG21 VAL 20 -1.432 -12.545 1.164 156 HG22 VAL 20 HG22 VAL 20 -2.890 -11.683 0.673 157 HG23 VAL 20 HG23 VAL 20 -2.464 -13.209 -0.102 158 H THR 21 H THR 21 -2.501 -14.503 4.665 159 HA THR 21 HA THR 21 -5.081 -15.432 5.578 160 HB THR 21 HB THR 21 -2.432 -16.348 6.667 161 HG1 THR 21 HG1 THR 21 -3.548 -16.963 4.099 162 HG21 THR 21 HG21 THR 21 -3.561 -18.540 6.653 163 HG22 THR 21 HG22 THR 21 -4.993 -17.796 5.942 164 HG23 THR 21 HG23 THR 21 -4.486 -17.350 7.570 165 H ALA 22 H ALA 22 -3.774 -12.697 6.415 166 HA ALA 22 HA ALA 22 -3.032 -12.836 9.114 167 HB1 ALA 22 HB1 ALA 22 -2.506 -10.961 7.608 168 HB2 ALA 22 HB2 ALA 22 -3.192 -10.454 9.151 169 HB3 ALA 22 HB3 ALA 22 -4.192 -10.455 7.698 170 H THR 23 H THR 23 -4.041 -12.277 10.948 171 HA THR 23 HA THR 23 -6.960 -12.547 10.983 172 HB THR 23 HB THR 23 -6.637 -12.945 13.437 173 HG1 THR 23 HG1 THR 23 -3.867 -13.033 12.738 174 HG21 THR 23 HG21 THR 23 -6.779 -14.833 11.868 175 HG22 THR 23 HG22 THR 23 -5.683 -15.193 13.202 176 HG23 THR 23 HG23 THR 23 -5.034 -14.757 11.620 177 H ASP 24 H ASP 24 -8.022 -11.178 12.857 178 HA ASP 24 HA ASP 24 -7.875 -8.488 12.262 179 HB2 ASP 24 HB2 ASP 24 -8.759 -9.770 14.855 180 HB3 ASP 24 HB3 ASP 24 -9.075 -8.104 14.406 181 H VAL 25 H VAL 25 -6.140 -10.286 14.765 182 HA VAL 25 HA VAL 25 -5.202 -8.066 16.210 183 HB VAL 25 HB VAL 25 -4.088 -10.861 15.926 184 HG11 VAL 25 HG11 VAL 25 -2.786 -10.402 17.965 185 HG12 VAL 25 HG12 VAL 25 -3.311 -8.720 17.908 186 HG13 VAL 25 HG13 VAL 25 -2.297 -9.370 16.620 187 HG21 VAL 25 HG21 VAL 25 -5.086 -11.213 18.142 188 HG22 VAL 25 HG22 VAL 25 -6.291 -10.785 16.927 189 HG23 VAL 25 HG23 VAL 25 -5.744 -9.577 18.090 190 H GLU 26 H GLU 26 -3.892 -9.897 13.512 191 HA GLU 26 HA GLU 26 -1.324 -8.634 13.476 192 HB2 GLU 26 HB2 GLU 26 -2.857 -10.145 11.357 193 HB3 GLU 26 HB3 GLU 26 -1.159 -9.688 11.231 194 HG2 GLU 26 HG2 GLU 26 -0.606 -11.101 13.097 195 HG3 GLU 26 HG3 GLU 26 -2.309 -11.485 13.347 196 H ILE 27 H ILE 27 -4.355 -8.226 11.913 197 HA ILE 27 HA ILE 27 -3.630 -6.265 10.056 198 HB ILE 27 HB ILE 27 -6.247 -7.067 11.319 199 HG12 ILE 27 HG12 ILE 27 -5.217 -7.420 8.495 200 HG13 ILE 27 HG13 ILE 27 -5.021 -8.619 9.766 201 HG21 ILE 27 HG21 ILE 27 -6.412 -4.697 10.679 202 HG22 ILE 27 HG22 ILE 27 -7.370 -5.699 9.589 203 HG23 ILE 27 HG23 ILE 27 -5.804 -5.077 9.068 204 HD11 ILE 27 HD11 ILE 27 -7.650 -7.600 8.723 205 HD12 ILE 27 HD12 ILE 27 -7.418 -8.863 9.933 206 HD13 ILE 27 HD13 ILE 27 -6.884 -9.123 8.274 207 H LYS 28 H LYS 28 -5.004 -6.034 13.335 208 HA LYS 28 HA LYS 28 -5.244 -3.235 13.312 209 HB2 LYS 28 HB2 LYS 28 -5.010 -5.164 15.585 210 HB3 LYS 28 HB3 LYS 28 -5.328 -3.450 15.784 211 HG2 LYS 28 HG2 LYS 28 -7.381 -3.693 14.492 212 HG3 LYS 28 HG3 LYS 28 -7.058 -5.422 14.332 213 HD2 LYS 28 HD2 LYS 28 -7.047 -5.623 16.746 214 HD3 LYS 28 HD3 LYS 28 -7.378 -3.892 16.866 215 HE2 LYS 28 HE2 LYS 28 -9.504 -4.194 15.698 216 HE3 LYS 28 HE3 LYS 28 -9.180 -5.916 15.518 217 HZ1 LYS 28 HZ1 LYS 28 -9.535 -4.492 18.097 218 HZ2 LYS 28 HZ2 LYS 28 -9.248 -6.144 17.917 219 HZ3 LYS 28 HZ3 LYS 28 -10.690 -5.474 17.349 220 H LYS 29 H LYS 29 -2.701 -5.349 14.544 221 HA LYS 29 HA LYS 29 -1.218 -3.167 15.599 222 HB2 LYS 29 HB2 LYS 29 0.666 -4.731 15.859 223 HB3 LYS 29 HB3 LYS 29 -0.832 -5.351 16.526 224 HG2 LYS 29 HG2 LYS 29 -1.115 -6.776 14.583 225 HG3 LYS 29 HG3 LYS 29 0.392 -6.169 13.891 226 HD2 LYS 29 HD2 LYS 29 1.620 -6.987 15.868 227 HD3 LYS 29 HD3 LYS 29 0.112 -7.598 16.546 228 HE2 LYS 29 HE2 LYS 29 -0.105 -9.150 14.682 229 HE3 LYS 29 HE3 LYS 29 1.382 -8.524 13.966 230 HZ1 LYS 29 HZ1 LYS 29 1.121 -9.901 16.581 231 HZ2 LYS 29 HZ2 LYS 29 2.567 -9.302 15.937 232 HZ3 LYS 29 HZ3 LYS 29 1.761 -10.572 15.169 233 H ALA 30 H ALA 30 -1.237 -4.745 12.534 234 HA ALA 30 HA ALA 30 0.955 -3.449 11.397 235 HB1 ALA 30 HB1 ALA 30 -0.185 -5.390 10.420 236 HB2 ALA 30 HB2 ALA 30 0.019 -4.061 9.282 237 HB3 ALA 30 HB3 ALA 30 -1.557 -4.356 10.024 238 H TYR 31 H TYR 31 -2.469 -2.586 11.663 239 HA TYR 31 HA TYR 31 -2.327 -0.192 10.191 240 HB2 TYR 31 HB2 TYR 31 -4.478 -1.104 10.626 241 HB3 TYR 31 HB3 TYR 31 -4.185 -1.151 12.365 242 HD1 TYR 31 HD1 TYR 31 -4.425 1.291 9.536 243 HD2 TYR 31 HD2 TYR 31 -5.023 0.572 13.688 244 HE1 TYR 31 HE1 TYR 31 -5.491 3.495 9.762 245 HE2 TYR 31 HE2 TYR 31 -6.091 2.773 13.921 246 HH TYR 31 HH TYR 31 -7.125 4.585 11.284 247 H ARG 32 H ARG 32 -2.101 -0.960 13.623 248 HA ARG 32 HA ARG 32 -1.703 1.613 14.596 249 HB2 ARG 32 HB2 ARG 32 -0.571 -1.011 15.558 250 HB3 ARG 32 HB3 ARG 32 -0.605 0.477 16.497 251 HG2 ARG 32 HG2 ARG 32 -3.028 -0.885 15.396 252 HG3 ARG 32 HG3 ARG 32 -2.422 -1.132 17.027 253 HD2 ARG 32 HD2 ARG 32 -2.671 1.287 17.436 254 HD3 ARG 32 HD3 ARG 32 -3.284 1.484 15.798 255 HE ARG 32 HE ARG 32 -4.803 -0.428 17.251 256 HH11 ARG 32 HH11 ARG 32 -4.340 3.032 16.894 257 HH12 ARG 32 HH12 ARG 32 -5.962 3.425 17.349 258 HH21 ARG 32 HH21 ARG 32 -6.957 0.103 17.873 259 HH22 ARG 32 HH22 ARG 32 -7.441 1.765 17.915 260 H LYS 33 H LYS 33 0.680 -0.746 13.442 261 HA LYS 33 HA LYS 33 2.886 0.991 14.011 262 HB2 LYS 33 HB2 LYS 33 4.285 -0.646 13.117 263 HB3 LYS 33 HB3 LYS 33 2.917 -1.569 13.727 264 HG2 LYS 33 HG2 LYS 33 2.004 -1.700 11.447 265 HG3 LYS 33 HG3 LYS 33 3.396 -0.778 10.869 266 HD2 LYS 33 HD2 LYS 33 4.895 -2.570 11.598 267 HD3 LYS 33 HD3 LYS 33 3.511 -3.496 12.186 268 HE2 LYS 33 HE2 LYS 33 2.606 -3.587 9.909 269 HE3 LYS 33 HE3 LYS 33 3.980 -2.654 9.323 270 HZ1 LYS 33 HZ1 LYS 33 4.106 -5.362 10.540 271 HZ2 LYS 33 HZ2 LYS 33 5.435 -4.468 10.021 272 HZ3 LYS 33 HZ3 LYS 33 4.299 -5.003 8.901 273 H CYS 34 H CYS 34 1.041 0.299 11.066 274 HA CYS 34 HA CYS 34 2.707 1.861 9.402 275 HB2 CYS 34 HB2 CYS 34 -0.187 1.067 9.128 276 HB3 CYS 34 HB3 CYS 34 0.690 1.956 7.882 277 HG CYS 34 HG CYS 34 0.871 -1.280 8.750 278 H ALA 35 H ALA 35 -0.252 2.699 11.174 279 HA ALA 35 HA ALA 35 -0.337 5.373 10.246 280 HB1 ALA 35 HB1 ALA 35 -2.304 4.267 11.149 281 HB2 ALA 35 HB2 ALA 35 -1.946 5.734 12.062 282 HB3 ALA 35 HB3 ALA 35 -1.536 4.156 12.732 283 H LEU 36 H LEU 36 0.857 3.952 13.259 284 HA LEU 36 HA LEU 36 1.695 6.378 14.418 285 HB2 LEU 36 HB2 LEU 36 2.666 3.570 14.877 286 HB3 LEU 36 HB3 LEU 36 3.244 4.942 15.797 287 HG LEU 36 HG LEU 36 0.356 4.076 15.693 288 HD11 LEU 36 HD11 LEU 36 1.696 2.354 16.751 289 HD12 LEU 36 HD12 LEU 36 0.736 3.210 17.958 290 HD13 LEU 36 HD13 LEU 36 2.458 3.558 17.791 291 HD21 LEU 36 HD21 LEU 36 0.130 5.552 17.640 292 HD22 LEU 36 HD22 LEU 36 0.648 6.437 16.208 293 HD23 LEU 36 HD23 LEU 36 1.817 6.032 17.466 294 H LYS 37 H LYS 37 3.397 4.119 12.347 295 HA LYS 37 HA LYS 37 5.901 5.421 12.557 296 HB2 LYS 37 HB2 LYS 37 4.797 3.455 10.570 297 HB3 LYS 37 HB3 LYS 37 6.454 4.060 10.506 298 HG2 LYS 37 HG2 LYS 37 6.945 3.076 12.643 299 HG3 LYS 37 HG3 LYS 37 5.253 2.639 12.876 300 HD2 LYS 37 HD2 LYS 37 6.485 0.696 12.212 301 HD3 LYS 37 HD3 LYS 37 5.413 1.171 10.898 302 HE2 LYS 37 HE2 LYS 37 7.270 2.247 9.741 303 HE3 LYS 37 HE3 LYS 37 8.351 1.857 11.076 304 HZ1 LYS 37 HZ1 LYS 37 8.661 0.301 9.314 305 HZ2 LYS 37 HZ2 LYS 37 7.017 -0.068 9.252 306 HZ3 LYS 37 HZ3 LYS 37 7.935 -0.509 10.609 307 H TYR 38 H TYR 38 3.242 5.753 10.154 308 HA TYR 38 HA TYR 38 4.837 7.918 8.907 309 HB2 TYR 38 HB2 TYR 38 2.959 5.944 7.617 310 HB3 TYR 38 HB3 TYR 38 3.743 7.269 6.765 311 HD1 TYR 38 HD1 TYR 38 4.163 3.974 8.262 312 HD2 TYR 38 HD2 TYR 38 6.180 7.207 6.372 313 HE1 TYR 38 HE1 TYR 38 6.108 2.524 7.879 314 HE2 TYR 38 HE2 TYR 38 8.133 5.765 5.981 315 HH TYR 38 HH TYR 38 9.137 3.744 6.850 316 H HIS 39 H HIS 39 2.369 7.938 10.908 317 HA HIS 39 HA HIS 39 0.283 9.224 9.508 318 HB2 HIS 39 HB2 HIS 39 -0.471 10.085 11.722 319 HB3 HIS 39 HB3 HIS 39 -0.135 8.357 11.725 320 HD2 HIS 39 HD2 HIS 39 3.275 9.386 12.130 321 HE1 HIS 39 HE1 HIS 39 1.702 9.940 16.018 322 HE2 HIS 39 HE2 HIS 39 3.718 9.328 14.675 323 HA PRO 40 HA PRO 40 1.972 13.123 8.341 324 HB2 PRO 40 HB2 PRO 40 -0.353 14.571 8.213 325 HB3 PRO 40 HB3 PRO 40 0.163 13.420 6.972 326 HG2 PRO 40 HG2 PRO 40 -1.767 13.028 9.231 327 HG3 PRO 40 HG3 PRO 40 -1.912 12.524 7.537 328 HD2 PRO 40 HD2 PRO 40 -1.213 10.787 9.441 329 HD3 PRO 40 HD3 PRO 40 -0.480 10.718 7.822 330 H ASP 41 H ASP 41 0.075 12.807 11.218 331 HA ASP 41 HA ASP 41 0.292 15.459 12.157 332 HB2 ASP 41 HB2 ASP 41 -0.154 12.878 13.642 333 HB3 ASP 41 HB3 ASP 41 -0.207 14.461 14.407 334 H LYS 42 H LYS 42 2.613 12.945 11.987 335 HA LYS 42 HA LYS 42 4.427 14.580 13.567 336 HB2 LYS 42 HB2 LYS 42 4.108 11.595 13.858 337 HB3 LYS 42 HB3 LYS 42 5.519 12.460 14.437 338 HG2 LYS 42 HG2 LYS 42 4.051 13.818 15.882 339 HG3 LYS 42 HG3 LYS 42 2.679 12.853 15.345 340 HD2 LYS 42 HD2 LYS 42 3.731 10.837 16.233 341 HD3 LYS 42 HD3 LYS 42 5.124 11.784 16.752 342 HE2 LYS 42 HE2 LYS 42 3.677 13.074 18.254 343 HE3 LYS 42 HE3 LYS 42 2.292 12.118 17.733 344 HZ1 LYS 42 HZ1 LYS 42 3.301 11.394 19.864 345 HZ2 LYS 42 HZ2 LYS 42 4.699 10.962 19.023 346 HZ3 LYS 42 HZ3 LYS 42 3.241 10.174 18.696 347 H ASN 43 H ASN 43 3.827 12.445 10.937 348 HA ASN 43 HA ASN 43 6.554 12.757 9.934 349 HB2 ASN 43 HB2 ASN 43 4.308 10.927 9.076 350 HB3 ASN 43 HB3 ASN 43 5.895 10.982 8.327 351 HD21 ASN 43 HD21 ASN 43 7.633 10.094 9.367 352 HD22 ASN 43 HD22 ASN 43 7.466 9.082 10.761 353 HA PRO 44 HA PRO 44 4.474 16.022 7.633 354 HB2 PRO 44 HB2 PRO 44 6.705 17.219 6.693 355 HB3 PRO 44 HB3 PRO 44 6.161 17.400 8.365 356 HG2 PRO 44 HG2 PRO 44 8.261 15.580 7.250 357 HG3 PRO 44 HG3 PRO 44 8.319 16.592 8.704 358 HD2 PRO 44 HD2 PRO 44 7.802 13.932 8.787 359 HD3 PRO 44 HD3 PRO 44 7.099 15.090 9.958 360 H SER 45 H SER 45 6.504 13.530 6.357 361 HA SER 45 HA SER 45 6.581 14.358 3.652 362 HB2 SER 45 HB2 SER 45 6.553 11.520 4.465 363 HB3 SER 45 HB3 SER 45 7.491 12.298 3.204 364 HG SER 45 HG SER 45 8.917 13.076 4.642 365 H GLU 46 H GLU 46 5.260 14.135 2.103 366 HA GLU 46 HA GLU 46 2.546 13.696 2.549 367 HB2 GLU 46 HB2 GLU 46 3.352 15.150 0.761 368 HB3 GLU 46 HB3 GLU 46 4.021 13.757 -0.080 369 HG2 GLU 46 HG2 GLU 46 1.838 12.825 -0.338 370 HG3 GLU 46 HG3 GLU 46 1.116 14.164 0.549 371 H GLU 47 H GLU 47 5.054 11.652 1.209 372 HA GLU 47 HA GLU 47 3.487 9.511 0.303 373 HB2 GLU 47 HB2 GLU 47 6.218 9.580 1.530 374 HB3 GLU 47 HB3 GLU 47 5.532 8.155 0.763 375 HG2 GLU 47 HG2 GLU 47 5.407 9.363 -1.356 376 HG3 GLU 47 HG3 GLU 47 6.115 10.781 -0.581 377 H ALA 48 H ALA 48 4.828 10.287 3.422 378 HA ALA 48 HA ALA 48 4.129 7.922 4.766 379 HB1 ALA 48 HB1 ALA 48 4.410 10.715 5.876 380 HB2 ALA 48 HB2 ALA 48 5.711 9.537 5.706 381 HB3 ALA 48 HB3 ALA 48 4.389 9.235 6.833 382 H ALA 49 H ALA 49 2.549 10.908 4.298 383 HA ALA 49 HA ALA 49 0.178 10.379 5.732 384 HB1 ALA 49 HB1 ALA 49 0.855 12.642 5.031 385 HB2 ALA 49 HB2 ALA 49 -0.795 12.260 4.548 386 HB3 ALA 49 HB3 ALA 49 0.505 12.213 3.357 387 H GLU 50 H GLU 50 1.092 9.844 2.381 388 HA GLU 50 HA GLU 50 -1.353 8.920 1.354 389 HB2 GLU 50 HB2 GLU 50 1.440 7.983 0.632 390 HB3 GLU 50 HB3 GLU 50 0.004 7.781 -0.357 391 HG2 GLU 50 HG2 GLU 50 -0.151 10.292 -0.428 392 HG3 GLU 50 HG3 GLU 50 1.453 10.314 0.331 393 H LYS 51 H LYS 51 1.333 7.282 2.876 394 HA LYS 51 HA LYS 51 0.376 4.642 2.771 395 HB2 LYS 51 HB2 LYS 51 2.270 6.017 4.660 396 HB3 LYS 51 HB3 LYS 51 1.963 4.282 4.683 397 HG2 LYS 51 HG2 LYS 51 2.828 4.057 2.450 398 HG3 LYS 51 HG3 LYS 51 3.017 5.804 2.314 399 HD2 LYS 51 HD2 LYS 51 5.147 4.760 2.813 400 HD3 LYS 51 HD3 LYS 51 4.606 5.768 4.166 401 HE2 LYS 51 HE2 LYS 51 5.512 3.658 4.966 402 HE3 LYS 51 HE3 LYS 51 3.799 3.765 5.341 403 HZ1 LYS 51 HZ1 LYS 51 5.068 2.175 3.154 404 HZ2 LYS 51 HZ2 LYS 51 3.401 2.387 3.290 405 HZ3 LYS 51 HZ3 LYS 51 4.248 1.575 4.503 406 H PHE 52 H PHE 52 0.047 7.160 5.192 407 HA PHE 52 HA PHE 52 -1.288 5.703 7.157 408 HB2 PHE 52 HB2 PHE 52 -0.447 7.922 7.619 409 HB3 PHE 52 HB3 PHE 52 -1.521 8.625 6.412 410 HD1 PHE 52 HD1 PHE 52 -1.466 6.902 9.686 411 HD2 PHE 52 HD2 PHE 52 -3.718 9.253 6.952 412 HE1 PHE 52 HE1 PHE 52 -3.202 7.232 11.400 413 HE2 PHE 52 HE2 PHE 52 -5.452 9.586 8.660 414 HZ PHE 52 HZ PHE 52 -5.195 8.576 10.887 415 H LYS 53 H LYS 53 -2.588 7.551 4.425 416 HA LYS 53 HA LYS 53 -5.303 7.019 4.912 417 HB2 LYS 53 HB2 LYS 53 -3.850 7.641 2.340 418 HB3 LYS 53 HB3 LYS 53 -5.599 7.540 2.467 419 HG2 LYS 53 HG2 LYS 53 -3.879 9.458 4.029 420 HG3 LYS 53 HG3 LYS 53 -4.730 9.853 2.532 421 HD2 LYS 53 HD2 LYS 53 -6.869 9.289 3.633 422 HD3 LYS 53 HD3 LYS 53 -5.994 8.965 5.131 423 HE2 LYS 53 HE2 LYS 53 -5.209 11.281 5.175 424 HE3 LYS 53 HE3 LYS 53 -6.073 11.607 3.673 425 HZ1 LYS 53 HZ1 LYS 53 -7.297 10.837 6.264 426 HZ2 LYS 53 HZ2 LYS 53 -8.148 11.084 4.824 427 HZ3 LYS 53 HZ3 LYS 53 -7.336 12.368 5.558 428 H GLU 54 H GLU 54 -2.865 5.213 3.060 429 HA GLU 54 HA GLU 54 -4.632 3.272 2.004 430 HB2 GLU 54 HB2 GLU 54 -1.690 3.143 2.660 431 HB3 GLU 54 HB3 GLU 54 -2.566 1.913 1.759 432 HG2 GLU 54 HG2 GLU 54 -3.059 3.480 0.018 433 HG3 GLU 54 HG3 GLU 54 -2.308 4.775 0.950 434 H ALA 55 H ALA 55 -2.743 3.504 4.958 435 HA ALA 55 HA ALA 55 -3.185 0.884 5.891 436 HB1 ALA 55 HB1 ALA 55 -1.375 2.314 6.722 437 HB2 ALA 55 HB2 ALA 55 -2.389 1.715 8.034 438 HB3 ALA 55 HB3 ALA 55 -2.564 3.378 7.471 439 H SER 56 H SER 56 -4.890 3.944 6.370 440 HA SER 56 HA SER 56 -6.663 2.908 8.296 441 HB2 SER 56 HB2 SER 56 -7.949 4.972 7.896 442 HB3 SER 56 HB3 SER 56 -6.239 5.300 8.154 443 HG SER 56 HG SER 56 -7.551 5.151 5.632 444 H ALA 57 H ALA 57 -6.820 3.212 4.750 445 HA ALA 57 HA ALA 57 -9.529 2.300 4.620 446 HB1 ALA 57 HB1 ALA 57 -8.481 3.579 2.786 447 HB2 ALA 57 HB2 ALA 57 -9.124 2.040 2.215 448 HB3 ALA 57 HB3 ALA 57 -7.390 2.230 2.476 449 H ALA 58 H ALA 58 -6.409 0.713 4.374 450 HA ALA 58 HA ALA 58 -7.315 -1.865 3.820 451 HB1 ALA 58 HB1 ALA 58 -4.943 -1.090 5.515 452 HB2 ALA 58 HB2 ALA 58 -4.942 -1.129 3.757 453 HB3 ALA 58 HB3 ALA 58 -5.180 -2.619 4.670 454 H TYR 59 H TYR 59 -6.732 -0.164 6.845 455 HA TYR 59 HA TYR 59 -7.446 -2.209 8.594 456 HB2 TYR 59 HB2 TYR 59 -6.256 -0.245 9.314 457 HB3 TYR 59 HB3 TYR 59 -7.631 0.780 8.928 458 HD1 TYR 59 HD1 TYR 59 -6.470 -1.930 11.170 459 HD2 TYR 59 HD2 TYR 59 -9.334 1.140 10.528 460 HE1 TYR 59 HE1 TYR 59 -7.261 -2.199 13.470 461 HE2 TYR 59 HE2 TYR 59 -10.143 0.873 12.835 462 HH TYR 59 HH TYR 59 -10.164 -0.815 14.587 463 H GLU 60 H GLU 60 -9.436 0.313 7.089 464 HA GLU 60 HA GLU 60 -11.647 -0.198 8.694 465 HB2 GLU 60 HB2 GLU 60 -12.980 1.129 7.212 466 HB3 GLU 60 HB3 GLU 60 -11.417 1.890 7.455 467 HG2 GLU 60 HG2 GLU 60 -10.693 0.960 5.297 468 HG3 GLU 60 HG3 GLU 60 -12.324 0.340 5.062 469 H ILE 61 H ILE 61 -10.535 -1.781 5.756 470 HA ILE 61 HA ILE 61 -13.026 -3.331 5.727 471 HB ILE 61 HB ILE 61 -12.037 -4.407 3.664 472 HG12 ILE 61 HG12 ILE 61 -10.101 -2.085 3.851 473 HG13 ILE 61 HG13 ILE 61 -9.683 -3.779 4.074 474 HG21 ILE 61 HG21 ILE 61 -12.614 -2.491 2.221 475 HG22 ILE 61 HG22 ILE 61 -12.595 -1.447 3.642 476 HG23 ILE 61 HG23 ILE 61 -13.778 -2.748 3.520 477 HD11 ILE 61 HD11 ILE 61 -10.249 -4.247 1.776 478 HD12 ILE 61 HD12 ILE 61 -9.065 -2.945 1.870 479 HD13 ILE 61 HD13 ILE 61 -10.757 -2.576 1.540 480 H LEU 62 H LEU 62 -9.547 -3.927 5.848 481 HA LEU 62 HA LEU 62 -9.723 -6.665 6.252 482 HB2 LEU 62 HB2 LEU 62 -7.624 -4.680 6.971 483 HB3 LEU 62 HB3 LEU 62 -7.365 -6.428 7.043 484 HG LEU 62 HG LEU 62 -7.953 -4.747 4.608 485 HD11 LEU 62 HD11 LEU 62 -5.705 -5.455 3.900 486 HD12 LEU 62 HD12 LEU 62 -5.485 -6.252 5.457 487 HD13 LEU 62 HD13 LEU 62 -5.688 -4.502 5.382 488 HD21 LEU 62 HD21 LEU 62 -7.608 -6.819 3.315 489 HD22 LEU 62 HD22 LEU 62 -9.026 -6.902 4.357 490 HD23 LEU 62 HD23 LEU 62 -7.540 -7.729 4.824 491 H SER 63 H SER 63 -9.612 -4.047 8.675 492 HA SER 63 HA SER 63 -9.244 -5.759 10.892 493 HB2 SER 63 HB2 SER 63 -8.843 -3.285 10.915 494 HB3 SER 63 HB3 SER 63 -10.588 -3.054 10.908 495 HG SER 63 HG SER 63 -10.435 -4.581 12.843 496 H ASP 64 H ASP 64 -11.852 -5.476 8.852 497 HA ASP 64 HA ASP 64 -13.656 -6.498 10.912 498 HB2 ASP 64 HB2 ASP 64 -14.358 -4.981 8.384 499 HB3 ASP 64 HB3 ASP 64 -15.541 -5.836 9.369 500 HA PRO 65 HA PRO 65 -12.471 -10.275 8.927 501 HB2 PRO 65 HB2 PRO 65 -14.989 -11.157 10.249 502 HB3 PRO 65 HB3 PRO 65 -13.370 -11.877 10.303 503 HG2 PRO 65 HG2 PRO 65 -14.300 -10.470 12.327 504 HG3 PRO 65 HG3 PRO 65 -12.583 -10.312 11.852 505 HD2 PRO 65 HD2 PRO 65 -14.912 -8.486 11.413 506 HD3 PRO 65 HD3 PRO 65 -13.218 -8.078 11.726 507 H GLU 66 H GLU 66 -15.655 -8.961 8.695 508 HA GLU 66 HA GLU 66 -16.468 -10.845 6.643 509 HB2 GLU 66 HB2 GLU 66 -18.540 -9.466 6.540 510 HB3 GLU 66 HB3 GLU 66 -18.211 -10.129 8.136 511 HG2 GLU 66 HG2 GLU 66 -17.448 -8.040 8.941 512 HG3 GLU 66 HG3 GLU 66 -17.455 -7.349 7.314 513 H LYS 67 H LYS 67 -15.201 -7.621 6.901 514 HA LYS 67 HA LYS 67 -15.720 -7.044 4.154 515 HB2 LYS 67 HB2 LYS 67 -14.369 -5.641 6.433 516 HB3 LYS 67 HB3 LYS 67 -14.555 -4.905 4.814 517 HG2 LYS 67 HG2 LYS 67 -16.728 -5.712 6.757 518 HG3 LYS 67 HG3 LYS 67 -16.247 -4.073 6.334 519 HD2 LYS 67 HD2 LYS 67 -16.961 -4.449 4.023 520 HD3 LYS 67 HD3 LYS 67 -17.441 -6.095 4.437 521 HE2 LYS 67 HE2 LYS 67 -19.069 -5.189 6.049 522 HE3 LYS 67 HE3 LYS 67 -18.611 -3.556 5.568 523 HZ1 LYS 67 HZ1 LYS 67 -19.812 -5.616 3.793 524 HZ2 LYS 67 HZ2 LYS 67 -19.356 -4.058 3.317 525 HZ3 LYS 67 HZ3 LYS 67 -20.609 -4.267 4.428 526 H ARG 68 H ARG 68 -13.349 -8.308 6.221 527 HA ARG 68 HA ARG 68 -11.048 -7.892 4.665 528 HB2 ARG 68 HB2 ARG 68 -11.431 -8.692 7.158 529 HB3 ARG 68 HB3 ARG 68 -11.445 -10.281 6.419 530 HG2 ARG 68 HG2 ARG 68 -9.198 -8.963 5.376 531 HG3 ARG 68 HG3 ARG 68 -9.213 -8.639 7.103 532 HD2 ARG 68 HD2 ARG 68 -7.978 -10.641 6.799 533 HD3 ARG 68 HD3 ARG 68 -9.540 -11.094 7.479 534 HE ARG 68 HE ARG 68 -8.657 -11.493 4.706 535 HH11 ARG 68 HH11 ARG 68 -10.978 -12.101 7.264 536 HH12 ARG 68 HH12 ARG 68 -11.790 -13.363 6.412 537 HH21 ARG 68 HH21 ARG 68 -9.721 -13.192 3.592 538 HH22 ARG 68 HH22 ARG 68 -11.087 -13.982 4.316 539 H ASP 69 H ASP 69 -13.487 -10.447 4.973 540 HA ASP 69 HA ASP 69 -12.337 -12.141 2.994 541 HB2 ASP 69 HB2 ASP 69 -15.004 -12.108 4.373 542 HB3 ASP 69 HB3 ASP 69 -14.749 -13.142 2.972 543 H ILE 70 H ILE 70 -14.717 -9.616 3.021 544 HA ILE 70 HA ILE 70 -15.613 -9.854 0.369 545 HB ILE 70 HB ILE 70 -15.394 -7.564 2.284 546 HG12 ILE 70 HG12 ILE 70 -17.060 -9.226 2.823 547 HG13 ILE 70 HG13 ILE 70 -17.844 -7.720 2.366 548 HG21 ILE 70 HG21 ILE 70 -16.634 -7.454 -0.483 549 HG22 ILE 70 HG22 ILE 70 -15.206 -6.570 0.058 550 HG23 ILE 70 HG23 ILE 70 -16.789 -6.196 0.743 551 HD11 ILE 70 HD11 ILE 70 -19.025 -9.593 1.431 552 HD12 ILE 70 HD12 ILE 70 -17.555 -10.179 0.659 553 HD13 ILE 70 HD13 ILE 70 -18.280 -8.659 0.134 554 H TYR 71 H TYR 71 -13.000 -7.869 1.782 555 HA TYR 71 HA TYR 71 -12.012 -6.905 -0.667 556 HB2 TYR 71 HB2 TYR 71 -11.216 -5.887 1.357 557 HB3 TYR 71 HB3 TYR 71 -10.544 -7.416 1.926 558 HD1 TYR 71 HD1 TYR 71 -10.227 -4.929 -0.837 559 HD2 TYR 71 HD2 TYR 71 -8.343 -7.988 1.434 560 HE1 TYR 71 HE1 TYR 71 -8.097 -4.462 -1.979 561 HE2 TYR 71 HE2 TYR 71 -6.215 -7.521 0.308 562 HH TYR 71 HH TYR 71 -5.630 -6.505 -2.077 563 H ASP 72 H ASP 72 -11.267 -9.766 1.166 564 HA ASP 72 HA ASP 72 -9.180 -10.815 -0.325 565 HB2 ASP 72 HB2 ASP 72 -9.987 -11.659 1.873 566 HB3 ASP 72 HB3 ASP 72 -11.387 -12.342 1.059 567 H GLN 73 H GLN 73 -12.679 -10.929 -0.914 568 HA GLN 73 HA GLN 73 -12.725 -12.834 -2.974 569 HB2 GLN 73 HB2 GLN 73 -14.431 -10.384 -2.567 570 HB3 GLN 73 HB3 GLN 73 -14.833 -11.761 -3.582 571 HG2 GLN 73 HG2 GLN 73 -14.357 -11.948 -0.645 572 HG3 GLN 73 HG3 GLN 73 -15.926 -11.656 -1.349 573 HE21 GLN 73 HE21 GLN 73 -13.491 -13.920 -0.628 574 HE22 GLN 73 HE22 GLN 73 -14.292 -15.336 -1.211 575 H PHE 74 H PHE 74 -12.422 -9.301 -2.953 576 HA PHE 74 HA PHE 74 -12.104 -9.036 -5.796 577 HB2 PHE 74 HB2 PHE 74 -11.287 -7.168 -3.556 578 HB3 PHE 74 HB3 PHE 74 -11.240 -6.754 -5.262 579 HD1 PHE 74 HD1 PHE 74 -13.260 -7.035 -2.309 580 HD2 PHE 74 HD2 PHE 74 -13.377 -6.592 -6.529 581 HE1 PHE 74 HE1 PHE 74 -15.573 -6.228 -2.151 582 HE2 PHE 74 HE2 PHE 74 -15.695 -5.785 -6.383 583 HZ PHE 74 HZ PHE 74 -16.792 -5.601 -4.185 584 H GLY 75 H GLY 75 -9.951 -9.521 -3.107 585 HA2 GLY 75 HA2 GLY 75 -7.774 -10.376 -3.172 586 HA3 GLY 75 HA3 GLY 75 -7.756 -10.142 -4.915 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 12.201 5.328 -15.602 2 H2 GLY 1 HT2 GLY 1 12.683 5.351 -17.219 3 H3 GLY 1 HT3 GLY 1 13.656 6.067 -16.038 4 HA2 GLY 1 HA3 GLY 1 14.601 3.978 -16.692 5 HA3 GLY 1 HA2 GLY 1 14.061 3.923 -15.021 6 H GLU 2 H GLU 2 11.232 3.778 -15.763 7 HA GLU 2 HA GLU 2 9.617 2.281 -16.176 8 HB2 GLU 2 HB2 GLU 2 11.587 1.092 -18.138 9 HB3 GLU 2 HB3 GLU 2 9.887 0.657 -18.026 10 HG2 GLU 2 HG2 GLU 2 10.996 3.358 -18.746 11 HG3 GLU 2 HG3 GLU 2 10.252 2.201 -19.847 12 H PHE 3 H PHE 3 9.798 1.569 -14.038 13 HA PHE 3 HA PHE 3 11.446 -0.564 -13.198 14 HB2 PHE 3 HB2 PHE 3 8.783 0.381 -12.110 15 HB3 PHE 3 HB3 PHE 3 9.849 -0.755 -11.296 16 HD1 PHE 3 HD1 PHE 3 9.070 2.686 -11.896 17 HD2 PHE 3 HD2 PHE 3 12.127 0.042 -10.573 18 HE1 PHE 3 HE1 PHE 3 10.220 4.568 -10.809 19 HE2 PHE 3 HE2 PHE 3 13.285 1.922 -9.484 20 HZ PHE 3 HZ PHE 3 12.331 4.186 -9.600 21 H GLY 4 H GLY 4 8.250 -0.345 -14.564 22 HA2 GLY 4 HA2 GLY 4 7.636 -2.190 -16.081 23 HA3 GLY 4 HA3 GLY 4 8.185 -3.279 -14.811 24 H SER 5 H SER 5 5.541 -2.898 -16.125 25 HA SER 5 HA SER 5 3.893 -1.935 -13.947 26 HB2 SER 5 HB2 SER 5 3.146 -3.090 -16.641 27 HB3 SER 5 HB3 SER 5 2.024 -2.359 -15.495 28 HG SER 5 HG SER 5 4.201 -1.086 -16.807 29 H MET 6 H MET 6 2.972 -3.207 -12.480 30 HA MET 6 HA MET 6 2.956 -6.103 -12.972 31 HB2 MET 6 HB2 MET 6 3.674 -4.667 -10.418 32 HB3 MET 6 HB3 MET 6 3.390 -6.395 -10.532 33 HG2 MET 6 HG2 MET 6 5.260 -6.533 -12.154 34 HG3 MET 6 HG3 MET 6 5.585 -4.827 -11.854 35 HE1 MET 6 HE1 MET 6 5.151 -4.394 -8.814 36 HE2 MET 6 HE2 MET 6 6.586 -3.852 -9.683 37 HE3 MET 6 HE3 MET 6 6.756 -4.749 -8.175 38 H VAL 7 H VAL 7 1.361 -7.251 -11.865 39 HA VAL 7 HA VAL 7 -1.084 -5.716 -11.484 40 HB VAL 7 HB VAL 7 -0.646 -8.712 -11.258 41 HG11 VAL 7 HG11 VAL 7 -3.063 -8.888 -11.438 42 HG12 VAL 7 HG12 VAL 7 -3.200 -7.134 -11.524 43 HG13 VAL 7 HG13 VAL 7 -2.620 -7.899 -10.047 44 HG21 VAL 7 HG21 VAL 7 -1.643 -8.854 -13.490 45 HG22 VAL 7 HG22 VAL 7 -0.154 -7.911 -13.513 46 HG23 VAL 7 HG23 VAL 7 -1.717 -7.095 -13.571 47 H LYS 8 H LYS 8 -1.482 -4.881 -9.553 48 HA LYS 8 HA LYS 8 0.111 -5.790 -7.319 49 HB2 LYS 8 HB2 LYS 8 -1.732 -3.425 -7.609 50 HB3 LYS 8 HB3 LYS 8 -0.794 -3.784 -6.164 51 HG2 LYS 8 HG2 LYS 8 1.275 -3.593 -7.460 52 HG3 LYS 8 HG3 LYS 8 0.333 -3.220 -8.901 53 HD2 LYS 8 HD2 LYS 8 -0.535 -1.205 -7.804 54 HD3 LYS 8 HD3 LYS 8 0.414 -1.584 -6.364 55 HE2 LYS 8 HE2 LYS 8 2.473 -1.421 -7.686 56 HE3 LYS 8 HE3 LYS 8 1.522 -1.037 -9.118 57 HZ1 LYS 8 HZ1 LYS 8 1.643 0.593 -6.642 58 HZ2 LYS 8 HZ2 LYS 8 0.758 0.983 -8.025 59 HZ3 LYS 8 HZ3 LYS 8 2.448 0.946 -8.081 60 H GLU 9 H GLU 9 -0.537 -6.889 -5.649 61 HA GLU 9 HA GLU 9 -3.370 -7.218 -5.047 62 HB2 GLU 9 HB2 GLU 9 -2.669 -9.052 -6.610 63 HB3 GLU 9 HB3 GLU 9 -1.469 -9.545 -5.429 64 HG2 GLU 9 HG2 GLU 9 -3.270 -10.014 -3.826 65 HG3 GLU 9 HG3 GLU 9 -4.446 -9.539 -5.044 66 H THR 10 H THR 10 -3.721 -7.788 -2.863 67 HA THR 10 HA THR 10 -3.358 -7.931 -0.651 68 HB THR 10 HB THR 10 -1.453 -9.076 0.288 69 HG1 THR 10 HG1 THR 10 0.281 -8.057 -0.776 70 HG21 THR 10 HG21 THR 10 -1.375 -11.118 -1.037 71 HG22 THR 10 HG22 THR 10 -1.998 -10.251 -2.435 72 HG23 THR 10 HG23 THR 10 -3.015 -10.468 -1.009 73 H LYS 11 H LYS 11 -2.858 -5.609 -2.160 74 HA LYS 11 HA LYS 11 -0.645 -4.083 -1.418 75 HB2 LYS 11 HB2 LYS 11 -3.455 -3.260 -2.112 76 HB3 LYS 11 HB3 LYS 11 -2.136 -2.119 -1.891 77 HG2 LYS 11 HG2 LYS 11 -0.968 -2.993 -3.777 78 HG3 LYS 11 HG3 LYS 11 -2.081 -4.357 -3.902 79 HD2 LYS 11 HD2 LYS 11 -2.602 -2.687 -5.592 80 HD3 LYS 11 HD3 LYS 11 -3.912 -2.800 -4.419 81 HE2 LYS 11 HE2 LYS 11 -3.052 -0.810 -3.276 82 HE3 LYS 11 HE3 LYS 11 -1.738 -0.712 -4.446 83 HZ1 LYS 11 HZ1 LYS 11 -4.634 -0.424 -5.025 84 HZ2 LYS 11 HZ2 LYS 11 -3.409 -0.414 -6.194 85 HZ3 LYS 11 HZ3 LYS 11 -3.476 0.811 -5.032 86 H PHE 12 H PHE 12 -3.819 -4.370 0.148 87 HA PHE 12 HA PHE 12 -3.150 -2.383 2.076 88 HB2 PHE 12 HB2 PHE 12 -5.494 -4.202 1.747 89 HB3 PHE 12 HB3 PHE 12 -5.258 -3.326 3.261 90 HD1 PHE 12 HD1 PHE 12 -7.044 -3.185 0.371 91 HD2 PHE 12 HD2 PHE 12 -4.426 -0.756 2.672 92 HE1 PHE 12 HE1 PHE 12 -8.061 -1.161 -0.599 93 HE2 PHE 12 HE2 PHE 12 -5.437 1.262 1.722 94 HZ PHE 12 HZ PHE 12 -7.253 1.070 0.097 95 H TYR 13 H TYR 13 -2.920 -5.836 1.954 96 HA TYR 13 HA TYR 13 -2.454 -6.217 4.754 97 HB2 TYR 13 HB2 TYR 13 -1.563 -7.909 2.401 98 HB3 TYR 13 HB3 TYR 13 -1.402 -8.382 4.087 99 HD1 TYR 13 HD1 TYR 13 -3.377 -8.676 1.217 100 HD2 TYR 13 HD2 TYR 13 -3.694 -8.341 5.442 101 HE1 TYR 13 HE1 TYR 13 -5.602 -9.712 1.126 102 HE2 TYR 13 HE2 TYR 13 -5.919 -9.377 5.365 103 HH TYR 13 HH TYR 13 -7.082 -10.984 2.646 104 H ASP 14 H ASP 14 -0.338 -5.974 1.948 105 HA ASP 14 HA ASP 14 2.112 -5.941 3.255 106 HB2 ASP 14 HB2 ASP 14 1.220 -4.745 0.662 107 HB3 ASP 14 HB3 ASP 14 2.885 -4.644 1.207 108 H ILE 15 H ILE 15 -0.004 -3.250 2.456 109 HA ILE 15 HA ILE 15 1.730 -1.219 3.299 110 HB ILE 15 HB ILE 15 -1.243 -1.380 3.054 111 HG12 ILE 15 HG12 ILE 15 0.770 0.246 1.497 112 HG13 ILE 15 HG13 ILE 15 0.164 -1.358 1.020 113 HG21 ILE 15 HG21 ILE 15 -1.378 1.061 3.424 114 HG22 ILE 15 HG22 ILE 15 0.339 1.092 3.819 115 HG23 ILE 15 HG23 ILE 15 -0.790 0.230 4.864 116 HD11 ILE 15 HD11 ILE 15 -2.099 -0.429 0.884 117 HD12 ILE 15 HD12 ILE 15 -0.977 0.407 -0.188 118 HD13 ILE 15 HD13 ILE 15 -1.471 1.159 1.328 119 H LEU 16 H LEU 16 -0.895 -2.803 5.144 120 HA LEU 16 HA LEU 16 -0.202 -1.577 7.580 121 HB2 LEU 16 HB2 LEU 16 -1.709 -4.117 7.062 122 HB3 LEU 16 HB3 LEU 16 -1.458 -3.485 8.676 123 HG LEU 16 HG LEU 16 -2.979 -2.103 6.456 124 HD11 LEU 16 HD11 LEU 16 -3.945 -3.395 8.996 125 HD12 LEU 16 HD12 LEU 16 -4.092 -4.084 7.381 126 HD13 LEU 16 HD13 LEU 16 -4.936 -2.587 7.780 127 HD21 LEU 16 HD21 LEU 16 -3.628 -0.524 8.227 128 HD22 LEU 16 HD22 LEU 16 -1.894 -0.491 7.918 129 HD23 LEU 16 HD23 LEU 16 -2.521 -1.329 9.338 130 H GLY 17 H GLY 17 1.198 -4.375 6.038 131 HA2 GLY 17 HA2 GLY 17 3.315 -5.231 6.661 132 HA3 GLY 17 HA3 GLY 17 3.113 -4.509 8.256 133 H VAL 18 H VAL 18 0.521 -6.121 6.871 134 HA VAL 18 HA VAL 18 0.816 -8.364 8.766 135 HB VAL 18 HB VAL 18 -1.639 -8.668 8.606 136 HG11 VAL 18 HG11 VAL 18 -0.699 -7.368 10.418 137 HG12 VAL 18 HG12 VAL 18 -2.266 -6.725 9.927 138 HG13 VAL 18 HG13 VAL 18 -0.783 -5.912 9.428 139 HG21 VAL 18 HG21 VAL 18 -2.013 -7.707 6.406 140 HG22 VAL 18 HG22 VAL 18 -1.558 -6.115 7.007 141 HG23 VAL 18 HG23 VAL 18 -3.019 -6.899 7.610 142 HA PRO 19 HA PRO 19 0.982 -11.222 5.375 143 HB2 PRO 19 HB2 PRO 19 -0.375 -13.330 6.386 144 HB3 PRO 19 HB3 PRO 19 1.245 -12.891 6.954 145 HG2 PRO 19 HG2 PRO 19 -1.422 -12.225 8.140 146 HG3 PRO 19 HG3 PRO 19 0.018 -12.877 8.944 147 HD2 PRO 19 HD2 PRO 19 -0.571 -10.271 9.065 148 HD3 PRO 19 HD3 PRO 19 1.113 -10.812 8.905 149 H VAL 20 H VAL 20 -0.396 -12.383 3.855 150 HA VAL 20 HA VAL 20 -2.755 -11.032 3.162 151 HB VAL 20 HB VAL 20 -1.819 -13.807 2.390 152 HG11 VAL 20 HG11 VAL 20 -3.806 -11.994 1.042 153 HG12 VAL 20 HG12 VAL 20 -4.156 -13.512 1.869 154 HG13 VAL 20 HG13 VAL 20 -3.203 -13.515 0.386 155 HG21 VAL 20 HG21 VAL 20 -1.323 -11.156 1.054 156 HG22 VAL 20 HG22 VAL 20 -0.895 -12.730 0.381 157 HG23 VAL 20 HG23 VAL 20 -0.128 -12.166 1.867 158 H THR 21 H THR 21 -1.974 -13.832 5.007 159 HA THR 21 HA THR 21 -4.724 -14.670 5.438 160 HB THR 21 HB THR 21 -2.290 -15.795 6.809 161 HG1 THR 21 HG1 THR 21 -1.692 -16.788 4.978 162 HG21 THR 21 HG21 THR 21 -4.488 -16.657 7.489 163 HG22 THR 21 HG22 THR 21 -3.572 -17.898 6.635 164 HG23 THR 21 HG23 THR 21 -4.870 -17.035 5.809 165 H ALA 22 H ALA 22 -3.661 -12.019 6.486 166 HA ALA 22 HA ALA 22 -3.162 -12.129 9.226 167 HB1 ALA 22 HB1 ALA 22 -2.678 -10.210 7.772 168 HB2 ALA 22 HB2 ALA 22 -3.541 -9.770 9.247 169 HB3 ALA 22 HB3 ALA 22 -4.403 -9.854 7.710 170 H THR 23 H THR 23 -4.334 -11.709 10.988 171 HA THR 23 HA THR 23 -7.239 -12.121 10.813 172 HB THR 23 HB THR 23 -7.047 -12.760 13.230 173 HG1 THR 23 HG1 THR 23 -4.242 -12.682 12.667 174 HG21 THR 23 HG21 THR 23 -7.088 -14.490 11.497 175 HG22 THR 23 HG22 THR 23 -6.020 -14.962 12.819 176 HG23 THR 23 HG23 THR 23 -5.341 -14.355 11.309 177 H ASP 24 H ASP 24 -8.439 -10.992 12.740 178 HA ASP 24 HA ASP 24 -8.329 -8.254 12.437 179 HB2 ASP 24 HB2 ASP 24 -9.393 -9.873 14.757 180 HB3 ASP 24 HB3 ASP 24 -9.723 -8.166 14.489 181 H VAL 25 H VAL 25 -6.734 -10.293 14.843 182 HA VAL 25 HA VAL 25 -6.042 -8.221 16.627 183 HB VAL 25 HB VAL 25 -4.822 -10.948 16.167 184 HG11 VAL 25 HG11 VAL 25 -3.774 -10.692 18.379 185 HG12 VAL 25 HG12 VAL 25 -4.344 -9.024 18.442 186 HG13 VAL 25 HG13 VAL 25 -3.173 -9.510 17.217 187 HG21 VAL 25 HG21 VAL 25 -6.051 -11.573 18.206 188 HG22 VAL 25 HG22 VAL 25 -7.126 -11.046 16.911 189 HG23 VAL 25 HG23 VAL 25 -6.767 -9.961 18.252 190 H GLU 26 H GLU 26 -4.412 -9.752 13.911 191 HA GLU 26 HA GLU 26 -1.904 -8.420 14.216 192 HB2 GLU 26 HB2 GLU 26 -3.204 -9.811 11.866 193 HB3 GLU 26 HB3 GLU 26 -1.532 -9.253 11.889 194 HG2 GLU 26 HG2 GLU 26 -1.005 -10.771 13.677 195 HG3 GLU 26 HG3 GLU 26 -2.693 -11.258 13.803 196 H ILE 27 H ILE 27 -4.839 -7.892 12.463 197 HA ILE 27 HA ILE 27 -4.023 -5.756 10.833 198 HB ILE 27 HB ILE 27 -6.710 -6.720 11.813 199 HG12 ILE 27 HG12 ILE 27 -5.483 -6.792 9.050 200 HG13 ILE 27 HG13 ILE 27 -5.304 -8.089 10.225 201 HG21 ILE 27 HG21 ILE 27 -7.742 -5.230 10.137 202 HG22 ILE 27 HG22 ILE 27 -6.161 -4.536 9.777 203 HG23 ILE 27 HG23 ILE 27 -6.884 -4.302 11.368 204 HD11 ILE 27 HD11 ILE 27 -7.062 -8.505 8.560 205 HD12 ILE 27 HD12 ILE 27 -7.934 -7.093 9.164 206 HD13 ILE 27 HD13 ILE 27 -7.667 -8.482 10.214 207 H LYS 28 H LYS 28 -5.589 -5.866 14.039 208 HA LYS 28 HA LYS 28 -6.017 -3.140 14.361 209 HB2 LYS 28 HB2 LYS 28 -7.134 -4.771 15.717 210 HB3 LYS 28 HB3 LYS 28 -5.608 -5.418 16.291 211 HG2 LYS 28 HG2 LYS 28 -6.543 -4.150 18.027 212 HG3 LYS 28 HG3 LYS 28 -5.175 -3.250 17.375 213 HD2 LYS 28 HD2 LYS 28 -6.969 -1.699 17.779 214 HD3 LYS 28 HD3 LYS 28 -6.794 -1.898 16.034 215 HE2 LYS 28 HE2 LYS 28 -8.682 -3.378 15.957 216 HE3 LYS 28 HE3 LYS 28 -8.790 -3.406 17.716 217 HZ1 LYS 28 HZ1 LYS 28 -10.441 -1.945 16.792 218 HZ2 LYS 28 HZ2 LYS 28 -9.273 -1.048 15.969 219 HZ3 LYS 28 HZ3 LYS 28 -9.311 -1.036 17.657 220 H LYS 29 H LYS 29 -3.339 -5.231 15.369 221 HA LYS 29 HA LYS 29 -1.932 -3.117 16.638 222 HB2 LYS 29 HB2 LYS 29 -0.046 -4.692 16.806 223 HB3 LYS 29 HB3 LYS 29 -1.554 -5.389 17.376 224 HG2 LYS 29 HG2 LYS 29 -1.791 -6.550 15.219 225 HG3 LYS 29 HG3 LYS 29 -0.216 -5.928 14.727 226 HD2 LYS 29 HD2 LYS 29 -0.749 -7.670 17.138 227 HD3 LYS 29 HD3 LYS 29 -0.084 -8.229 15.603 228 HE2 LYS 29 HE2 LYS 29 1.843 -6.731 15.914 229 HE3 LYS 29 HE3 LYS 29 1.179 -6.216 17.463 230 HZ1 LYS 29 HZ1 LYS 29 1.322 -8.528 18.213 231 HZ2 LYS 29 HZ2 LYS 29 2.832 -7.890 17.816 232 HZ3 LYS 29 HZ3 LYS 29 2.066 -8.956 16.753 233 H ALA 30 H ALA 30 -1.747 -4.546 13.439 234 HA ALA 30 HA ALA 30 0.449 -3.118 12.535 235 HB1 ALA 30 HB1 ALA 30 -0.349 -3.576 10.317 236 HB2 ALA 30 HB2 ALA 30 -1.953 -3.963 10.943 237 HB3 ALA 30 HB3 ALA 30 -0.578 -4.997 11.335 238 H TYR 31 H TYR 31 -2.988 -2.328 12.676 239 HA TYR 31 HA TYR 31 -2.796 0.119 11.317 240 HB2 TYR 31 HB2 TYR 31 -4.944 -0.903 11.571 241 HB3 TYR 31 HB3 TYR 31 -4.792 -0.935 13.326 242 HD1 TYR 31 HD1 TYR 31 -4.853 1.485 10.475 243 HD2 TYR 31 HD2 TYR 31 -5.810 0.752 14.553 244 HE1 TYR 31 HE1 TYR 31 -6.009 3.656 10.591 245 HE2 TYR 31 HE2 TYR 31 -6.965 2.918 14.679 246 HH TYR 31 HH TYR 31 -7.779 4.720 11.936 247 H ARG 32 H ARG 32 -2.744 -0.728 14.768 248 HA ARG 32 HA ARG 32 -2.461 1.935 15.603 249 HB2 ARG 32 HB2 ARG 32 -2.010 1.145 17.823 250 HB3 ARG 32 HB3 ARG 32 -3.244 0.122 17.118 251 HG2 ARG 32 HG2 ARG 32 -1.953 -1.463 18.115 252 HG3 ARG 32 HG3 ARG 32 -1.153 -1.387 16.544 253 HD2 ARG 32 HD2 ARG 32 0.478 -1.383 18.367 254 HD3 ARG 32 HD3 ARG 32 0.532 0.125 17.457 255 HE ARG 32 HE ARG 32 -0.273 1.262 19.307 256 HH11 ARG 32 HH11 ARG 32 -0.317 -2.199 19.961 257 HH12 ARG 32 HH12 ARG 32 -0.557 -1.991 21.659 258 HH21 ARG 32 HH21 ARG 32 -0.580 1.511 21.560 259 HH22 ARG 32 HH22 ARG 32 -0.694 0.112 22.574 260 H LYS 33 H LYS 33 -0.016 -0.490 14.764 261 HA LYS 33 HA LYS 33 2.128 1.271 15.583 262 HB2 LYS 33 HB2 LYS 33 3.665 -0.310 14.718 263 HB3 LYS 33 HB3 LYS 33 2.377 -1.241 15.461 264 HG2 LYS 33 HG2 LYS 33 1.418 -1.647 13.241 265 HG3 LYS 33 HG3 LYS 33 2.749 -0.725 12.531 266 HD2 LYS 33 HD2 LYS 33 4.356 -2.320 13.461 267 HD3 LYS 33 HD3 LYS 33 3.032 -3.252 14.160 268 HE2 LYS 33 HE2 LYS 33 2.157 -3.692 11.912 269 HE3 LYS 33 HE3 LYS 33 3.469 -2.745 11.215 270 HZ1 LYS 33 HZ1 LYS 33 3.764 -5.249 12.782 271 HZ2 LYS 33 HZ2 LYS 33 5.036 -4.333 12.159 272 HZ3 LYS 33 HZ3 LYS 33 3.959 -5.094 11.110 273 H CYS 34 H CYS 34 0.628 0.509 12.462 274 HA CYS 34 HA CYS 34 2.457 2.038 10.972 275 HB2 CYS 34 HB2 CYS 34 0.877 0.453 9.942 276 HB3 CYS 34 HB3 CYS 34 -0.458 1.523 10.355 277 HG CYS 34 HG CYS 34 0.448 3.617 8.707 278 H ALA 35 H ALA 35 -0.682 2.930 12.362 279 HA ALA 35 HA ALA 35 -0.674 5.594 11.468 280 HB1 ALA 35 HB1 ALA 35 -2.016 4.435 13.911 281 HB2 ALA 35 HB2 ALA 35 -2.680 4.443 12.277 282 HB3 ALA 35 HB3 ALA 35 -2.417 5.963 13.128 283 H LEU 36 H LEU 36 0.365 4.184 14.534 284 HA LEU 36 HA LEU 36 1.146 6.663 15.685 285 HB2 LEU 36 HB2 LEU 36 1.885 3.852 16.421 286 HB3 LEU 36 HB3 LEU 36 2.447 5.251 17.311 287 HG LEU 36 HG LEU 36 -0.456 4.521 16.932 288 HD11 LEU 36 HD11 LEU 36 0.667 2.859 18.292 289 HD12 LEU 36 HD12 LEU 36 -0.391 3.859 19.288 290 HD13 LEU 36 HD13 LEU 36 1.351 4.128 19.307 291 HD21 LEU 36 HD21 LEU 36 0.888 6.594 18.667 292 HD22 LEU 36 HD22 LEU 36 -0.824 6.180 18.718 293 HD23 LEU 36 HD23 LEU 36 -0.138 6.905 17.266 294 H LYS 37 H LYS 37 2.945 4.280 13.871 295 HA LYS 37 HA LYS 37 5.490 5.384 14.338 296 HB2 LYS 37 HB2 LYS 37 4.435 3.571 12.175 297 HB3 LYS 37 HB3 LYS 37 6.129 4.057 12.272 298 HG2 LYS 37 HG2 LYS 37 6.391 2.964 14.389 299 HG3 LYS 37 HG3 LYS 37 4.656 2.683 14.514 300 HD2 LYS 37 HD2 LYS 37 5.757 0.641 13.886 301 HD3 LYS 37 HD3 LYS 37 4.786 1.222 12.537 302 HE2 LYS 37 HE2 LYS 37 6.790 2.152 11.479 303 HE3 LYS 37 HE3 LYS 37 7.767 1.624 12.848 304 HZ1 LYS 37 HZ1 LYS 37 7.189 -0.667 12.305 305 HZ2 LYS 37 HZ2 LYS 37 7.966 0.094 11.014 306 HZ3 LYS 37 HZ3 LYS 37 6.293 -0.138 10.972 307 H TYR 38 H TYR 38 3.158 5.939 11.698 308 HA TYR 38 HA TYR 38 4.931 8.103 10.746 309 HB2 TYR 38 HB2 TYR 38 2.993 6.367 9.246 310 HB3 TYR 38 HB3 TYR 38 3.820 7.742 8.523 311 HD1 TYR 38 HD1 TYR 38 4.145 4.311 9.719 312 HD2 TYR 38 HD2 TYR 38 6.267 7.669 8.191 313 HE1 TYR 38 HE1 TYR 38 6.080 2.867 9.247 314 HE2 TYR 38 HE2 TYR 38 8.204 6.233 7.712 315 HH TYR 38 HH TYR 38 8.048 2.934 7.599 316 H HIS 39 H HIS 39 2.539 8.211 12.714 317 HA HIS 39 HA HIS 39 0.508 9.710 11.570 318 HB2 HIS 39 HB2 HIS 39 0.057 10.546 13.865 319 HB3 HIS 39 HB3 HIS 39 0.261 8.803 13.785 320 HD2 HIS 39 HD2 HIS 39 3.756 9.622 13.838 321 HE1 HIS 39 HE1 HIS 39 2.643 10.132 17.893 322 HE2 HIS 39 HE2 HIS 39 4.472 9.474 16.304 323 HA PRO 40 HA PRO 40 2.241 13.515 10.291 324 HB2 PRO 40 HB2 PRO 40 0.031 15.107 10.493 325 HB3 PRO 40 HB3 PRO 40 0.281 13.920 9.204 326 HG2 PRO 40 HG2 PRO 40 -1.310 13.665 11.728 327 HG3 PRO 40 HG3 PRO 40 -1.749 13.182 10.080 328 HD2 PRO 40 HD2 PRO 40 -0.889 11.395 11.872 329 HD3 PRO 40 HD3 PRO 40 -0.430 11.276 10.157 330 H ASP 41 H ASP 41 0.855 13.340 13.499 331 HA ASP 41 HA ASP 41 1.570 16.048 14.156 332 HB2 ASP 41 HB2 ASP 41 0.935 15.431 16.483 333 HB3 ASP 41 HB3 ASP 41 -0.329 15.106 15.300 334 H LYS 42 H LYS 42 3.380 13.350 13.735 335 HA LYS 42 HA LYS 42 5.558 14.535 15.304 336 HB2 LYS 42 HB2 LYS 42 4.889 11.590 15.277 337 HB3 LYS 42 HB3 LYS 42 6.420 12.229 15.846 338 HG2 LYS 42 HG2 LYS 42 3.724 12.896 17.013 339 HG3 LYS 42 HG3 LYS 42 4.857 11.714 17.668 340 HD2 LYS 42 HD2 LYS 42 5.462 14.654 17.308 341 HD3 LYS 42 HD3 LYS 42 4.931 13.920 18.819 342 HE2 LYS 42 HE2 LYS 42 6.916 12.467 18.792 343 HE3 LYS 42 HE3 LYS 42 7.449 13.243 17.302 344 HZ1 LYS 42 HZ1 LYS 42 7.628 15.330 18.474 345 HZ2 LYS 42 HZ2 LYS 42 8.551 14.150 19.256 346 HZ3 LYS 42 HZ3 LYS 42 7.063 14.622 19.903 347 H ASN 43 H ASN 43 4.501 12.501 12.702 348 HA ASN 43 HA ASN 43 7.076 12.740 11.368 349 HB2 ASN 43 HB2 ASN 43 4.591 11.141 10.723 350 HB3 ASN 43 HB3 ASN 43 6.063 11.118 9.767 351 HD21 ASN 43 HD21 ASN 43 7.743 9.901 10.409 352 HD22 ASN 43 HD22 ASN 43 7.724 8.880 11.803 353 HA PRO 44 HA PRO 44 4.967 16.253 9.502 354 HB2 PRO 44 HB2 PRO 44 7.139 17.437 8.467 355 HB3 PRO 44 HB3 PRO 44 6.818 17.454 10.207 356 HG2 PRO 44 HG2 PRO 44 8.632 15.651 8.641 357 HG3 PRO 44 HG3 PRO 44 8.965 16.520 10.149 358 HD2 PRO 44 HD2 PRO 44 8.271 13.897 10.089 359 HD3 PRO 44 HD3 PRO 44 7.822 14.983 11.440 360 H SER 45 H SER 45 6.714 13.747 7.958 361 HA SER 45 HA SER 45 6.760 14.742 5.331 362 HB2 SER 45 HB2 SER 45 6.482 11.859 5.882 363 HB3 SER 45 HB3 SER 45 7.509 12.671 4.715 364 HG SER 45 HG SER 45 8.982 13.124 6.218 365 H GLU 46 H GLU 46 5.351 14.792 3.858 366 HA GLU 46 HA GLU 46 2.614 14.473 4.275 367 HB2 GLU 46 HB2 GLU 46 4.201 14.669 1.710 368 HB3 GLU 46 HB3 GLU 46 2.447 14.702 1.764 369 HG2 GLU 46 HG2 GLU 46 3.211 16.951 1.604 370 HG3 GLU 46 HG3 GLU 46 2.594 16.711 3.235 371 H GLU 47 H GLU 47 4.979 12.445 2.775 372 HA GLU 47 HA GLU 47 3.391 10.335 1.808 373 HB2 GLU 47 HB2 GLU 47 6.156 10.356 2.939 374 HB3 GLU 47 HB3 GLU 47 5.452 8.960 2.143 375 HG2 GLU 47 HG2 GLU 47 5.233 10.272 0.077 376 HG3 GLU 47 HG3 GLU 47 6.001 11.638 0.889 377 H ALA 48 H ALA 48 4.799 10.939 4.949 378 HA ALA 48 HA ALA 48 4.161 8.482 6.160 379 HB1 ALA 48 HB1 ALA 48 4.488 11.193 7.439 380 HB2 ALA 48 HB2 ALA 48 5.773 10.016 7.165 381 HB3 ALA 48 HB3 ALA 48 4.474 9.658 8.304 382 H ALA 49 H ALA 49 2.543 11.487 5.939 383 HA ALA 49 HA ALA 49 0.213 10.819 7.378 384 HB1 ALA 49 HB1 ALA 49 0.782 13.134 6.836 385 HB2 ALA 49 HB2 ALA 49 -0.833 12.731 6.255 386 HB3 ALA 49 HB3 ALA 49 0.518 12.806 5.124 387 H GLU 50 H GLU 50 1.083 10.503 3.989 388 HA GLU 50 HA GLU 50 -1.363 9.560 2.972 389 HB2 GLU 50 HB2 GLU 50 1.431 8.779 2.101 390 HB3 GLU 50 HB3 GLU 50 -0.034 8.587 1.152 391 HG2 GLU 50 HG2 GLU 50 -0.289 11.089 1.285 392 HG3 GLU 50 HG3 GLU 50 1.352 11.114 1.957 393 H LYS 51 H LYS 51 1.385 7.930 4.379 394 HA LYS 51 HA LYS 51 0.544 5.252 4.110 395 HB2 LYS 51 HB2 LYS 51 2.311 6.595 6.147 396 HB3 LYS 51 HB3 LYS 51 2.075 4.853 6.073 397 HG2 LYS 51 HG2 LYS 51 3.052 4.762 3.888 398 HG3 LYS 51 HG3 LYS 51 3.149 6.522 3.817 399 HD2 LYS 51 HD2 LYS 51 5.319 5.613 4.368 400 HD3 LYS 51 HD3 LYS 51 4.667 6.488 5.757 401 HE2 LYS 51 HE2 LYS 51 5.707 4.398 6.434 402 HE3 LYS 51 HE3 LYS 51 3.987 4.368 6.795 403 HZ1 LYS 51 HZ1 LYS 51 4.835 2.286 5.777 404 HZ2 LYS 51 HZ2 LYS 51 5.235 3.141 4.375 405 HZ3 LYS 51 HZ3 LYS 51 3.622 3.006 4.853 406 H PHE 52 H PHE 52 0.044 7.637 6.612 407 HA PHE 52 HA PHE 52 -1.288 6.087 8.513 408 HB2 PHE 52 HB2 PHE 52 -0.456 8.382 8.906 409 HB3 PHE 52 HB3 PHE 52 -1.682 9.011 7.806 410 HD1 PHE 52 HD1 PHE 52 -0.998 7.766 11.145 411 HD2 PHE 52 HD2 PHE 52 -4.054 9.017 8.464 412 HE1 PHE 52 HE1 PHE 52 -2.560 7.994 13.030 413 HE2 PHE 52 HE2 PHE 52 -5.620 9.241 10.343 414 HZ PHE 52 HZ PHE 52 -4.873 8.734 12.631 415 H LYS 53 H LYS 53 -2.537 8.019 5.810 416 HA LYS 53 HA LYS 53 -5.255 7.373 6.187 417 HB2 LYS 53 HB2 LYS 53 -3.791 8.337 3.731 418 HB3 LYS 53 HB3 LYS 53 -5.540 8.195 3.839 419 HG2 LYS 53 HG2 LYS 53 -3.818 9.945 5.590 420 HG3 LYS 53 HG3 LYS 53 -4.784 10.492 4.213 421 HD2 LYS 53 HD2 LYS 53 -6.817 9.695 5.349 422 HD3 LYS 53 HD3 LYS 53 -5.839 9.186 6.723 423 HE2 LYS 53 HE2 LYS 53 -5.135 11.507 7.071 424 HE3 LYS 53 HE3 LYS 53 -6.135 12.010 5.709 425 HZ1 LYS 53 HZ1 LYS 53 -7.128 10.733 8.200 426 HZ2 LYS 53 HZ2 LYS 53 -8.088 11.230 6.900 427 HZ3 LYS 53 HZ3 LYS 53 -7.250 12.372 7.820 428 H GLU 54 H GLU 54 -2.750 5.840 4.199 429 HA GLU 54 HA GLU 54 -4.480 3.995 2.940 430 HB2 GLU 54 HB2 GLU 54 -1.537 3.828 3.575 431 HB3 GLU 54 HB3 GLU 54 -2.400 2.651 2.592 432 HG2 GLU 54 HG2 GLU 54 -2.982 4.378 1.005 433 HG3 GLU 54 HG3 GLU 54 -2.155 5.571 2.001 434 H ALA 55 H ALA 55 -2.735 3.986 5.961 435 HA ALA 55 HA ALA 55 -3.170 1.292 6.676 436 HB1 ALA 55 HB1 ALA 55 -2.765 3.691 8.458 437 HB2 ALA 55 HB2 ALA 55 -1.485 2.697 7.761 438 HB3 ALA 55 HB3 ALA 55 -2.601 2.002 8.937 439 H SER 56 H SER 56 -5.013 4.270 7.176 440 HA SER 56 HA SER 56 -6.881 3.051 8.895 441 HB2 SER 56 HB2 SER 56 -8.211 5.109 8.563 442 HB3 SER 56 HB3 SER 56 -6.547 5.450 9.014 443 HG SER 56 HG SER 56 -7.692 5.594 6.414 444 H ALA 57 H ALA 57 -6.792 3.579 5.369 445 HA ALA 57 HA ALA 57 -9.477 2.697 4.927 446 HB1 ALA 57 HB1 ALA 57 -8.797 2.439 2.579 447 HB2 ALA 57 HB2 ALA 57 -7.107 2.637 3.046 448 HB3 ALA 57 HB3 ALA 57 -8.239 3.976 3.239 449 H ALA 58 H ALA 58 -6.390 1.095 4.991 450 HA ALA 58 HA ALA 58 -7.169 -1.484 4.243 451 HB1 ALA 58 HB1 ALA 58 -5.021 -0.770 6.236 452 HB2 ALA 58 HB2 ALA 58 -4.815 -0.660 4.495 453 HB3 ALA 58 HB3 ALA 58 -5.115 -2.227 5.246 454 H TYR 59 H TYR 59 -6.936 0.118 7.358 455 HA TYR 59 HA TYR 59 -7.841 -1.965 8.972 456 HB2 TYR 59 HB2 TYR 59 -6.775 -0.034 9.897 457 HB3 TYR 59 HB3 TYR 59 -8.038 1.032 9.294 458 HD1 TYR 59 HD1 TYR 59 -7.303 -1.684 11.709 459 HD2 TYR 59 HD2 TYR 59 -9.966 1.432 10.581 460 HE1 TYR 59 HE1 TYR 59 -8.480 -1.922 13.851 461 HE2 TYR 59 HE2 TYR 59 -11.152 1.204 12.713 462 HH TYR 59 HH TYR 59 -11.508 -0.466 14.425 463 H GLU 60 H GLU 60 -9.579 0.461 7.143 464 HA GLU 60 HA GLU 60 -12.072 0.152 8.307 465 HB2 GLU 60 HB2 GLU 60 -11.349 0.924 5.486 466 HB3 GLU 60 HB3 GLU 60 -12.977 1.027 6.136 467 HG2 GLU 60 HG2 GLU 60 -10.551 2.530 7.076 468 HG3 GLU 60 HG3 GLU 60 -11.929 3.184 6.193 469 H ILE 61 H ILE 61 -10.564 -1.653 5.627 470 HA ILE 61 HA ILE 61 -12.991 -3.339 5.408 471 HB ILE 61 HB ILE 61 -11.816 -4.374 3.482 472 HG12 ILE 61 HG12 ILE 61 -9.826 -2.123 3.846 473 HG13 ILE 61 HG13 ILE 61 -9.506 -3.821 4.177 474 HG21 ILE 61 HG21 ILE 61 -12.171 -2.482 1.958 475 HG22 ILE 61 HG22 ILE 61 -12.194 -1.385 3.338 476 HG23 ILE 61 HG23 ILE 61 -13.456 -2.603 3.160 477 HD11 ILE 61 HD11 ILE 61 -10.198 -2.653 1.497 478 HD12 ILE 61 HD12 ILE 61 -9.853 -4.351 1.831 479 HD13 ILE 61 HD13 ILE 61 -8.591 -3.137 2.039 480 H LEU 62 H LEU 62 -9.553 -3.708 5.988 481 HA LEU 62 HA LEU 62 -9.636 -6.440 6.435 482 HB2 LEU 62 HB2 LEU 62 -7.767 -4.329 7.408 483 HB3 LEU 62 HB3 LEU 62 -7.433 -6.060 7.566 484 HG LEU 62 HG LEU 62 -7.743 -4.473 5.017 485 HD11 LEU 62 HD11 LEU 62 -5.348 -5.820 6.242 486 HD12 LEU 62 HD12 LEU 62 -5.629 -4.085 6.089 487 HD13 LEU 62 HD13 LEU 62 -5.392 -5.070 4.647 488 HD21 LEU 62 HD21 LEU 62 -7.113 -6.555 3.854 489 HD22 LEU 62 HD22 LEU 62 -8.667 -6.676 4.674 490 HD23 LEU 62 HD23 LEU 62 -7.234 -7.422 5.385 491 H SER 63 H SER 63 -10.073 -3.783 8.789 492 HA SER 63 HA SER 63 -10.114 -5.485 11.066 493 HB2 SER 63 HB2 SER 63 -9.755 -3.010 11.168 494 HB3 SER 63 HB3 SER 63 -11.451 -2.786 10.763 495 HG SER 63 HG SER 63 -11.499 -4.447 12.740 496 H ASP 64 H ASP 64 -12.162 -5.445 8.525 497 HA ASP 64 HA ASP 64 -14.391 -6.464 10.131 498 HB2 ASP 64 HB2 ASP 64 -14.415 -5.088 7.442 499 HB3 ASP 64 HB3 ASP 64 -15.739 -6.120 7.961 500 HA PRO 65 HA PRO 65 -12.423 -10.207 8.641 501 HB2 PRO 65 HB2 PRO 65 -15.002 -11.251 9.710 502 HB3 PRO 65 HB3 PRO 65 -13.349 -11.811 10.008 503 HG2 PRO 65 HG2 PRO 65 -14.650 -10.388 11.811 504 HG3 PRO 65 HG3 PRO 65 -12.905 -10.105 11.537 505 HD2 PRO 65 HD2 PRO 65 -15.297 -8.514 10.704 506 HD3 PRO 65 HD3 PRO 65 -13.692 -7.942 11.182 507 H GLU 66 H GLU 66 -15.666 -9.208 8.023 508 HA GLU 66 HA GLU 66 -16.142 -11.202 5.997 509 HB2 GLU 66 HB2 GLU 66 -18.250 -9.949 5.611 510 HB3 GLU 66 HB3 GLU 66 -18.039 -10.437 7.288 511 HG2 GLU 66 HG2 GLU 66 -17.352 -8.222 7.897 512 HG3 GLU 66 HG3 GLU 66 -17.400 -7.712 6.207 513 H LYS 67 H LYS 67 -15.086 -7.890 6.184 514 HA LYS 67 HA LYS 67 -15.291 -7.488 3.356 515 HB2 LYS 67 HB2 LYS 67 -14.247 -5.911 5.676 516 HB3 LYS 67 HB3 LYS 67 -14.317 -5.261 4.012 517 HG2 LYS 67 HG2 LYS 67 -16.605 -6.078 5.812 518 HG3 LYS 67 HG3 LYS 67 -16.181 -4.444 5.319 519 HD2 LYS 67 HD2 LYS 67 -16.693 -5.005 2.993 520 HD3 LYS 67 HD3 LYS 67 -17.118 -6.646 3.479 521 HE2 LYS 67 HE2 LYS 67 -18.896 -5.731 4.916 522 HE3 LYS 67 HE3 LYS 67 -18.495 -4.109 4.353 523 HZ1 LYS 67 HZ1 LYS 67 -19.429 -6.340 2.627 524 HZ2 LYS 67 HZ2 LYS 67 -19.091 -4.768 2.112 525 HZ3 LYS 67 HZ3 LYS 67 -20.382 -5.055 3.165 526 H ARG 68 H ARG 68 -13.126 -8.489 5.749 527 HA ARG 68 HA ARG 68 -10.679 -8.064 4.435 528 HB2 ARG 68 HB2 ARG 68 -11.315 -8.660 6.934 529 HB3 ARG 68 HB3 ARG 68 -11.137 -10.308 6.358 530 HG2 ARG 68 HG2 ARG 68 -8.883 -8.794 5.488 531 HG3 ARG 68 HG3 ARG 68 -9.119 -8.538 7.209 532 HD2 ARG 68 HD2 ARG 68 -7.656 -10.428 6.898 533 HD3 ARG 68 HD3 ARG 68 -9.196 -10.980 7.554 534 HE ARG 68 HE ARG 68 -9.235 -11.141 4.737 535 HH11 ARG 68 HH11 ARG 68 -7.704 -12.694 7.493 536 HH12 ARG 68 HH12 ARG 68 -7.638 -14.248 6.736 537 HH21 ARG 68 HH21 ARG 68 -9.129 -13.218 3.736 538 HH22 ARG 68 HH22 ARG 68 -8.433 -14.543 4.592 539 H ASP 69 H ASP 69 -13.002 -10.744 4.647 540 HA ASP 69 HA ASP 69 -11.473 -12.525 3.011 541 HB2 ASP 69 HB2 ASP 69 -14.308 -12.532 3.991 542 HB3 ASP 69 HB3 ASP 69 -13.798 -13.675 2.755 543 H ILE 70 H ILE 70 -14.047 -10.245 2.497 544 HA ILE 70 HA ILE 70 -14.492 -10.755 -0.224 545 HB ILE 70 HB ILE 70 -14.835 -8.335 1.513 546 HG12 ILE 70 HG12 ILE 70 -16.350 -10.169 1.964 547 HG13 ILE 70 HG13 ILE 70 -17.239 -8.819 1.271 548 HG21 ILE 70 HG21 ILE 70 -15.682 -8.581 -1.391 549 HG22 ILE 70 HG22 ILE 70 -14.441 -7.498 -0.760 550 HG23 ILE 70 HG23 ILE 70 -16.130 -7.263 -0.309 551 HD11 ILE 70 HD11 ILE 70 -17.227 -9.971 -0.908 552 HD12 ILE 70 HD12 ILE 70 -18.036 -10.896 0.355 553 HD13 ILE 70 HD13 ILE 70 -16.408 -11.340 -0.155 554 H TYR 71 H TYR 71 -12.377 -8.389 1.400 555 HA TYR 71 HA TYR 71 -11.163 -7.390 -0.915 556 HB2 TYR 71 HB2 TYR 71 -10.859 -6.205 1.164 557 HB3 TYR 71 HB3 TYR 71 -10.059 -7.597 1.894 558 HD1 TYR 71 HD1 TYR 71 -9.717 -5.059 -0.794 559 HD2 TYR 71 HD2 TYR 71 -7.746 -7.919 1.657 560 HE1 TYR 71 HE1 TYR 71 -7.548 -4.286 -1.643 561 HE2 TYR 71 HE2 TYR 71 -5.573 -7.147 0.823 562 HH TYR 71 HH TYR 71 -4.868 -6.010 -1.482 563 H ASP 72 H ASP 72 -10.265 -10.050 1.161 564 HA ASP 72 HA ASP 72 -7.793 -10.733 0.086 565 HB2 ASP 72 HB2 ASP 72 -8.676 -11.715 2.142 566 HB3 ASP 72 HB3 ASP 72 -9.918 -12.556 1.225 567 H GLN 73 H GLN 73 -11.010 -11.661 -0.959 568 HA GLN 73 HA GLN 73 -10.159 -13.528 -2.918 569 HB2 GLN 73 HB2 GLN 73 -12.760 -12.055 -2.538 570 HB3 GLN 73 HB3 GLN 73 -12.508 -13.297 -3.761 571 HG2 GLN 73 HG2 GLN 73 -12.049 -14.937 -2.070 572 HG3 GLN 73 HG3 GLN 73 -12.145 -13.705 -0.814 573 HE21 GLN 73 HE21 GLN 73 -14.118 -12.917 -0.214 574 HE22 GLN 73 HE22 GLN 73 -15.603 -13.710 -0.610 575 H PHE 74 H PHE 74 -11.052 -10.092 -3.046 576 HA PHE 74 HA PHE 74 -10.624 -9.908 -5.874 577 HB2 PHE 74 HB2 PHE 74 -10.908 -7.817 -3.723 578 HB3 PHE 74 HB3 PHE 74 -10.577 -7.400 -5.399 579 HD1 PHE 74 HD1 PHE 74 -13.071 -8.494 -3.019 580 HD2 PHE 74 HD2 PHE 74 -12.239 -7.892 -7.142 581 HE1 PHE 74 HE1 PHE 74 -15.476 -8.573 -3.511 582 HE2 PHE 74 HE2 PHE 74 -14.644 -7.970 -7.644 583 HZ PHE 74 HZ PHE 74 -16.266 -8.309 -5.825 584 H GLY 75 H GLY 75 -8.654 -9.557 -3.046 585 HA2 GLY 75 HA2 GLY 75 -6.302 -9.795 -3.068 586 HA3 GLY 75 HA3 GLY 75 -6.305 -9.355 -4.771 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 2.449 4.790 -13.321 2 H2 GLY 1 HT2 GLY 1 3.075 5.687 -14.609 3 H3 GLY 1 HT3 GLY 1 1.453 5.868 -14.167 4 HA2 GLY 1 HA3 GLY 1 2.716 7.732 -13.389 5 HA3 GLY 1 HA2 GLY 1 2.121 6.781 -12.037 6 H GLU 2 H GLU 2 3.922 8.057 -11.031 7 HA GLU 2 HA GLU 2 6.627 7.505 -11.564 8 HB2 GLU 2 HB2 GLU 2 5.232 8.375 -9.041 9 HB3 GLU 2 HB3 GLU 2 6.977 8.293 -9.214 10 HG2 GLU 2 HG2 GLU 2 6.917 9.941 -10.971 11 HG3 GLU 2 HG3 GLU 2 5.155 9.982 -10.898 12 H PHE 3 H PHE 3 4.259 5.967 -9.484 13 HA PHE 3 HA PHE 3 6.228 3.900 -8.825 14 HB2 PHE 3 HB2 PHE 3 3.630 4.628 -7.456 15 HB3 PHE 3 HB3 PHE 3 4.671 3.291 -6.985 16 HD1 PHE 3 HD1 PHE 3 4.105 6.855 -6.807 17 HD2 PHE 3 HD2 PHE 3 6.924 3.755 -6.068 18 HE1 PHE 3 HE1 PHE 3 5.384 8.369 -5.349 19 HE2 PHE 3 HE2 PHE 3 8.203 5.260 -4.608 20 HZ PHE 3 HZ PHE 3 7.435 7.569 -4.247 21 H GLY 4 H GLY 4 5.902 1.860 -9.471 22 HA2 GLY 4 HA2 GLY 4 3.797 1.349 -11.371 23 HA3 GLY 4 HA3 GLY 4 5.071 0.234 -10.891 24 H SER 5 H SER 5 2.783 -0.952 -11.153 25 HA SER 5 HA SER 5 1.287 -2.296 -10.130 26 HB2 SER 5 HB2 SER 5 3.163 -2.764 -8.534 27 HB3 SER 5 HB3 SER 5 2.584 -1.448 -7.518 28 HG SER 5 HG SER 5 0.776 -3.466 -8.240 29 H MET 6 H MET 6 -0.379 -0.967 -10.842 30 HA MET 6 HA MET 6 -1.343 1.327 -9.515 31 HB2 MET 6 HB2 MET 6 -2.744 -0.627 -11.346 32 HB3 MET 6 HB3 MET 6 -3.461 0.878 -10.795 33 HG2 MET 6 HG2 MET 6 -1.000 0.570 -12.498 34 HG3 MET 6 HG3 MET 6 -2.584 1.140 -13.019 35 HE1 MET 6 HE1 MET 6 -3.453 3.027 -10.595 36 HE2 MET 6 HE2 MET 6 -3.638 3.449 -12.296 37 HE3 MET 6 HE3 MET 6 -2.867 4.582 -11.187 38 H VAL 7 H VAL 7 -2.070 -2.069 -9.249 39 HA VAL 7 HA VAL 7 -3.648 -1.498 -6.839 40 HB VAL 7 HB VAL 7 -3.953 -3.861 -8.720 41 HG11 VAL 7 HG11 VAL 7 -4.365 -4.484 -6.396 42 HG12 VAL 7 HG12 VAL 7 -5.869 -4.479 -7.318 43 HG13 VAL 7 HG13 VAL 7 -5.500 -3.144 -6.228 44 HG21 VAL 7 HG21 VAL 7 -4.882 -1.828 -9.678 45 HG22 VAL 7 HG22 VAL 7 -5.788 -1.522 -8.196 46 HG23 VAL 7 HG23 VAL 7 -6.176 -2.923 -9.192 47 H LYS 8 H LYS 8 -2.693 -2.178 -5.056 48 HA LYS 8 HA LYS 8 -0.445 -3.991 -5.342 49 HB2 LYS 8 HB2 LYS 8 -1.224 -2.067 -3.153 50 HB3 LYS 8 HB3 LYS 8 0.076 -3.241 -2.958 51 HG2 LYS 8 HG2 LYS 8 1.234 -2.296 -4.899 52 HG3 LYS 8 HG3 LYS 8 -0.063 -1.128 -5.108 53 HD2 LYS 8 HD2 LYS 8 1.611 -1.313 -2.604 54 HD3 LYS 8 HD3 LYS 8 2.029 -0.279 -3.970 55 HE2 LYS 8 HE2 LYS 8 -0.242 0.777 -3.731 56 HE3 LYS 8 HE3 LYS 8 -0.428 -0.131 -2.231 57 HZ1 LYS 8 HZ1 LYS 8 0.368 2.120 -1.832 58 HZ2 LYS 8 HZ2 LYS 8 1.717 1.849 -2.795 59 HZ3 LYS 8 HZ3 LYS 8 1.538 1.001 -1.344 60 H GLU 9 H GLU 9 -0.564 -6.031 -4.842 61 HA GLU 9 HA GLU 9 -2.878 -6.991 -3.322 62 HB2 GLU 9 HB2 GLU 9 -2.981 -7.464 -5.727 63 HB3 GLU 9 HB3 GLU 9 -1.388 -8.194 -5.660 64 HG2 GLU 9 HG2 GLU 9 -2.263 -9.967 -4.238 65 HG3 GLU 9 HG3 GLU 9 -3.864 -9.225 -4.302 66 H THR 10 H THR 10 -2.459 -8.584 -1.761 67 HA THR 10 HA THR 10 -1.336 -9.881 -0.305 68 HB THR 10 HB THR 10 1.132 -9.829 -2.040 69 HG1 THR 10 HG1 THR 10 -1.383 -11.076 -2.532 70 HG21 THR 10 HG21 THR 10 1.190 -11.050 0.070 71 HG22 THR 10 HG22 THR 10 1.271 -12.156 -1.308 72 HG23 THR 10 HG23 THR 10 -0.245 -11.947 -0.425 73 H LYS 11 H LYS 11 0.491 -7.286 -1.644 74 HA LYS 11 HA LYS 11 2.378 -6.726 0.280 75 HB2 LYS 11 HB2 LYS 11 0.808 -4.868 -1.444 76 HB3 LYS 11 HB3 LYS 11 2.298 -4.435 -0.613 77 HG2 LYS 11 HG2 LYS 11 3.525 -6.104 -1.906 78 HG3 LYS 11 HG3 LYS 11 2.033 -6.568 -2.725 79 HD2 LYS 11 HD2 LYS 11 1.853 -4.302 -3.656 80 HD3 LYS 11 HD3 LYS 11 3.360 -3.859 -2.849 81 HE2 LYS 11 HE2 LYS 11 4.557 -5.551 -4.135 82 HE3 LYS 11 HE3 LYS 11 3.053 -6.033 -4.916 83 HZ1 LYS 11 HZ1 LYS 11 4.347 -4.587 -6.325 84 HZ2 LYS 11 HZ2 LYS 11 4.356 -3.377 -5.145 85 HZ3 LYS 11 HZ3 LYS 11 2.899 -3.827 -5.893 86 H PHE 12 H PHE 12 -1.039 -6.266 0.465 87 HA PHE 12 HA PHE 12 -1.019 -4.017 2.158 88 HB2 PHE 12 HB2 PHE 12 -3.134 -5.949 1.357 89 HB3 PHE 12 HB3 PHE 12 -3.411 -4.913 2.757 90 HD1 PHE 12 HD1 PHE 12 -4.372 -5.125 -0.421 91 HD2 PHE 12 HD2 PHE 12 -2.240 -2.409 2.058 92 HE1 PHE 12 HE1 PHE 12 -5.040 -3.253 -1.881 93 HE2 PHE 12 HE2 PHE 12 -2.902 -0.546 0.615 94 HZ PHE 12 HZ PHE 12 -4.305 -0.954 -1.344 95 H TYR 13 H TYR 13 -0.901 -7.493 2.858 96 HA TYR 13 HA TYR 13 -1.277 -6.913 5.677 97 HB2 TYR 13 HB2 TYR 13 -0.841 -9.260 6.162 98 HB3 TYR 13 HB3 TYR 13 -1.966 -9.158 4.817 99 HD1 TYR 13 HD1 TYR 13 1.591 -9.780 5.691 100 HD2 TYR 13 HD2 TYR 13 -1.483 -10.242 2.797 101 HE1 TYR 13 HE1 TYR 13 3.034 -11.304 4.420 102 HE2 TYR 13 HE2 TYR 13 -0.048 -11.758 1.518 103 HH TYR 13 HH TYR 13 2.813 -13.092 2.771 104 H ASP 14 H ASP 14 1.310 -7.446 3.451 105 HA ASP 14 HA ASP 14 3.486 -7.497 5.197 106 HB2 ASP 14 HB2 ASP 14 3.632 -7.985 2.759 107 HB3 ASP 14 HB3 ASP 14 3.370 -6.280 2.435 108 H ILE 15 H ILE 15 1.882 -4.756 3.621 109 HA ILE 15 HA ILE 15 3.470 -2.723 4.635 110 HB ILE 15 HB ILE 15 0.588 -2.824 3.751 111 HG12 ILE 15 HG12 ILE 15 2.998 -1.543 2.448 112 HG13 ILE 15 HG13 ILE 15 2.434 -3.194 2.105 113 HG21 ILE 15 HG21 ILE 15 2.175 -0.373 4.502 114 HG22 ILE 15 HG22 ILE 15 0.759 -0.993 5.345 115 HG23 ILE 15 HG23 ILE 15 0.603 -0.361 3.706 116 HD11 ILE 15 HD11 ILE 15 0.297 -2.260 1.333 117 HD12 ILE 15 HD12 ILE 15 1.672 -1.659 0.408 118 HD13 ILE 15 HD13 ILE 15 0.917 -0.635 1.627 119 H LEU 16 H LEU 16 0.370 -3.926 5.916 120 HA LEU 16 HA LEU 16 0.489 -2.441 8.286 121 HB2 LEU 16 HB2 LEU 16 -0.957 -5.017 7.721 122 HB3 LEU 16 HB3 LEU 16 -1.142 -4.123 9.216 123 HG LEU 16 HG LEU 16 -1.901 -3.134 6.455 124 HD11 LEU 16 HD11 LEU 16 -3.599 -3.968 8.792 125 HD12 LEU 16 HD12 LEU 16 -3.355 -4.892 7.310 126 HD13 LEU 16 HD13 LEU 16 -4.175 -3.331 7.251 127 HD21 LEU 16 HD21 LEU 16 -2.212 -1.851 9.172 128 HD22 LEU 16 HD22 LEU 16 -2.923 -1.256 7.674 129 HD23 LEU 16 HD23 LEU 16 -1.171 -1.289 7.863 130 H GLY 17 H GLY 17 2.091 -5.399 7.473 131 HA2 GLY 17 HA2 GLY 17 3.916 -6.299 8.643 132 HA3 GLY 17 HA3 GLY 17 3.486 -5.311 10.033 133 H VAL 18 H VAL 18 0.905 -6.938 8.644 134 HA VAL 18 HA VAL 18 0.820 -8.808 10.887 135 HB VAL 18 HB VAL 18 -1.573 -9.091 10.275 136 HG11 VAL 18 HG11 VAL 18 -2.307 -6.900 11.025 137 HG12 VAL 18 HG12 VAL 18 -0.708 -6.246 10.677 138 HG13 VAL 18 HG13 VAL 18 -0.907 -7.459 11.941 139 HG21 VAL 18 HG21 VAL 18 -0.951 -6.982 8.213 140 HG22 VAL 18 HG22 VAL 18 -2.576 -7.468 8.690 141 HG23 VAL 18 HG23 VAL 18 -1.501 -8.630 7.914 142 HA PRO 19 HA PRO 19 1.472 -12.380 8.303 143 HB2 PRO 19 HB2 PRO 19 -0.320 -14.153 9.302 144 HB3 PRO 19 HB3 PRO 19 1.153 -13.699 10.180 145 HG2 PRO 19 HG2 PRO 19 -1.640 -12.668 10.487 146 HG3 PRO 19 HG3 PRO 19 -0.498 -13.177 11.745 147 HD2 PRO 19 HD2 PRO 19 -0.881 -10.593 11.168 148 HD3 PRO 19 HD3 PRO 19 0.726 -11.203 11.590 149 H VAL 20 H VAL 20 0.241 -13.992 6.871 150 HA VAL 20 HA VAL 20 -1.529 -12.544 5.158 151 HB VAL 20 HB VAL 20 -0.955 -15.535 5.324 152 HG11 VAL 20 HG11 VAL 20 -1.749 -15.647 3.014 153 HG12 VAL 20 HG12 VAL 20 -2.154 -13.931 3.076 154 HG13 VAL 20 HG13 VAL 20 -3.003 -15.075 4.116 155 HG21 VAL 20 HG21 VAL 20 0.621 -15.195 3.486 156 HG22 VAL 20 HG22 VAL 20 1.095 -14.291 4.925 157 HG23 VAL 20 HG23 VAL 20 0.338 -13.457 3.567 158 H THR 21 H THR 21 -1.621 -14.831 7.745 159 HA THR 21 HA THR 21 -4.468 -15.408 7.604 160 HB THR 21 HB THR 21 -2.615 -16.293 9.805 161 HG1 THR 21 HG1 THR 21 -2.782 -17.376 7.156 162 HG21 THR 21 HG21 THR 21 -4.884 -17.679 8.357 163 HG22 THR 21 HG22 THR 21 -5.022 -16.855 9.909 164 HG23 THR 21 HG23 THR 21 -4.014 -18.295 9.763 165 H ALA 22 H ALA 22 -3.376 -12.655 8.304 166 HA ALA 22 HA ALA 22 -3.541 -12.168 11.054 167 HB1 ALA 22 HB1 ALA 22 -4.132 -10.241 8.827 168 HB2 ALA 22 HB2 ALA 22 -2.521 -10.655 9.407 169 HB3 ALA 22 HB3 ALA 22 -3.664 -9.844 10.480 170 H THR 23 H THR 23 -5.105 -11.590 12.383 171 HA THR 23 HA THR 23 -7.867 -11.875 11.478 172 HB THR 23 HB THR 23 -8.398 -11.899 13.905 173 HG1 THR 23 HG1 THR 23 -5.552 -11.846 14.241 174 HG21 THR 23 HG21 THR 23 -7.961 -14.012 12.757 175 HG22 THR 23 HG22 THR 23 -7.352 -14.072 14.412 176 HG23 THR 23 HG23 THR 23 -6.234 -13.835 13.068 177 H ASP 24 H ASP 24 -9.477 -10.279 12.618 178 HA ASP 24 HA ASP 24 -9.082 -7.719 11.690 179 HB2 ASP 24 HB2 ASP 24 -10.879 -8.803 13.848 180 HB3 ASP 24 HB3 ASP 24 -10.932 -7.123 13.346 181 H VAL 25 H VAL 25 -8.405 -9.016 14.906 182 HA VAL 25 HA VAL 25 -7.948 -6.540 16.165 183 HB VAL 25 HB VAL 25 -6.900 -9.299 16.816 184 HG11 VAL 25 HG11 VAL 25 -6.317 -8.415 19.037 185 HG12 VAL 25 HG12 VAL 25 -6.742 -6.792 18.495 186 HG13 VAL 25 HG13 VAL 25 -5.381 -7.639 17.759 187 HG21 VAL 25 HG21 VAL 25 -9.078 -7.662 18.100 188 HG22 VAL 25 HG22 VAL 25 -8.593 -9.296 18.552 189 HG23 VAL 25 HG23 VAL 25 -9.333 -8.996 16.979 190 H GLU 26 H GLU 26 -5.702 -8.858 14.651 191 HA GLU 26 HA GLU 26 -3.330 -7.424 15.124 192 HB2 GLU 26 HB2 GLU 26 -4.122 -9.392 12.980 193 HB3 GLU 26 HB3 GLU 26 -2.475 -8.821 13.225 194 HG2 GLU 26 HG2 GLU 26 -2.341 -9.862 15.341 195 HG3 GLU 26 HG3 GLU 26 -4.071 -10.209 15.352 196 H ILE 27 H ILE 27 -5.640 -7.449 12.532 197 HA ILE 27 HA ILE 27 -4.243 -5.858 10.703 198 HB ILE 27 HB ILE 27 -7.164 -6.477 11.105 199 HG12 ILE 27 HG12 ILE 27 -5.251 -7.330 8.917 200 HG13 ILE 27 HG13 ILE 27 -5.546 -8.262 10.378 201 HG21 ILE 27 HG21 ILE 27 -7.016 -4.278 10.025 202 HG22 ILE 27 HG22 ILE 27 -7.574 -5.491 8.875 203 HG23 ILE 27 HG23 ILE 27 -5.904 -4.927 8.820 204 HD11 ILE 27 HD11 ILE 27 -7.655 -7.524 8.359 205 HD12 ILE 27 HD12 ILE 27 -7.853 -8.574 9.761 206 HD13 ILE 27 HD13 ILE 27 -6.811 -9.070 8.428 207 H LYS 28 H LYS 28 -6.725 -5.004 13.121 208 HA LYS 28 HA LYS 28 -6.742 -2.312 12.465 209 HB2 LYS 28 HB2 LYS 28 -8.602 -3.410 13.529 210 HB3 LYS 28 HB3 LYS 28 -7.629 -3.732 14.956 211 HG2 LYS 28 HG2 LYS 28 -7.455 -1.409 15.424 212 HG3 LYS 28 HG3 LYS 28 -8.301 -1.001 13.933 213 HD2 LYS 28 HD2 LYS 28 -9.473 -2.636 16.173 214 HD3 LYS 28 HD3 LYS 28 -9.736 -0.903 15.953 215 HE2 LYS 28 HE2 LYS 28 -10.718 -1.330 13.744 216 HE3 LYS 28 HE3 LYS 28 -10.471 -3.058 13.964 217 HZ1 LYS 28 HZ1 LYS 28 -11.979 -2.993 15.846 218 HZ2 LYS 28 HZ2 LYS 28 -12.732 -2.430 14.443 219 HZ3 LYS 28 HZ3 LYS 28 -12.218 -1.333 15.621 220 H LYS 29 H LYS 29 -5.055 -4.082 15.022 221 HA LYS 29 HA LYS 29 -3.963 -1.737 16.194 222 HB2 LYS 29 HB2 LYS 29 -2.376 -3.183 17.358 223 HB3 LYS 29 HB3 LYS 29 -4.008 -3.824 17.456 224 HG2 LYS 29 HG2 LYS 29 -3.520 -5.451 15.768 225 HG3 LYS 29 HG3 LYS 29 -1.905 -4.784 15.529 226 HD2 LYS 29 HD2 LYS 29 -2.915 -5.966 18.124 227 HD3 LYS 29 HD3 LYS 29 -1.909 -6.822 16.954 228 HE2 LYS 29 HE2 LYS 29 -0.163 -5.091 17.235 229 HE3 LYS 29 HE3 LYS 29 -1.162 -4.309 18.456 230 HZ1 LYS 29 HZ1 LYS 29 0.021 -7.023 18.617 231 HZ2 LYS 29 HZ2 LYS 29 -1.033 -6.376 19.761 232 HZ3 LYS 29 HZ3 LYS 29 0.477 -5.667 19.516 233 H ALA 30 H ALA 30 -2.903 -3.799 13.619 234 HA ALA 30 HA ALA 30 -0.371 -2.725 13.224 235 HB1 ALA 30 HB1 ALA 30 -1.182 -4.793 12.170 236 HB2 ALA 30 HB2 ALA 30 -0.465 -3.668 11.019 237 HB3 ALA 30 HB3 ALA 30 -2.222 -3.825 11.125 238 H TYR 31 H TYR 31 -3.547 -1.801 11.994 239 HA TYR 31 HA TYR 31 -2.673 0.320 10.381 240 HB2 TYR 31 HB2 TYR 31 -4.888 -0.447 10.066 241 HB3 TYR 31 HB3 TYR 31 -5.283 -0.276 11.777 242 HD1 TYR 31 HD1 TYR 31 -4.339 1.742 8.764 243 HD2 TYR 31 HD2 TYR 31 -6.338 1.676 12.519 244 HE1 TYR 31 HE1 TYR 31 -5.227 3.997 8.331 245 HE2 TYR 31 HE2 TYR 31 -7.229 3.924 12.094 246 HH TYR 31 HH TYR 31 -6.701 5.904 10.741 247 H ARG 32 H ARG 32 -3.736 0.089 13.725 248 HA ARG 32 HA ARG 32 -3.631 2.810 14.342 249 HB2 ARG 32 HB2 ARG 32 -3.175 0.412 16.119 250 HB3 ARG 32 HB3 ARG 32 -3.557 2.040 16.676 251 HG2 ARG 32 HG2 ARG 32 -5.299 0.395 14.880 252 HG3 ARG 32 HG3 ARG 32 -5.510 0.510 16.620 253 HD2 ARG 32 HD2 ARG 32 -5.897 2.892 16.430 254 HD3 ARG 32 HD3 ARG 32 -5.504 2.844 14.713 255 HE ARG 32 HE ARG 32 -7.694 1.130 15.425 256 HH11 ARG 32 HH11 ARG 32 -6.863 4.456 14.668 257 HH12 ARG 32 HH12 ARG 32 -8.394 4.805 13.936 258 HH21 ARG 32 HH21 ARG 32 -9.740 1.614 14.424 259 HH22 ARG 32 HH22 ARG 32 -10.016 3.201 13.802 260 H LYS 33 H LYS 33 -1.179 0.288 14.641 261 HA LYS 33 HA LYS 33 0.758 2.096 15.732 262 HB2 LYS 33 HB2 LYS 33 2.323 0.339 15.642 263 HB3 LYS 33 HB3 LYS 33 0.770 -0.429 15.956 264 HG2 LYS 33 HG2 LYS 33 0.600 -1.046 13.591 265 HG3 LYS 33 HG3 LYS 33 2.157 -0.257 13.308 266 HD2 LYS 33 HD2 LYS 33 3.281 -1.845 14.735 267 HD3 LYS 33 HD3 LYS 33 1.744 -2.592 15.177 268 HE2 LYS 33 HE2 LYS 33 2.896 -3.939 13.503 269 HE3 LYS 33 HE3 LYS 33 1.411 -3.274 12.836 270 HZ1 LYS 33 HZ1 LYS 33 4.166 -2.287 12.350 271 HZ2 LYS 33 HZ2 LYS 33 2.779 -1.513 11.799 272 HZ3 LYS 33 HZ3 LYS 33 3.157 -3.056 11.234 273 H CYS 34 H CYS 34 0.151 0.884 12.452 274 HA CYS 34 HA CYS 34 2.415 2.135 11.319 275 HB2 CYS 34 HB2 CYS 34 -0.229 1.345 10.094 276 HB3 CYS 34 HB3 CYS 34 1.117 1.984 9.152 277 HG CYS 34 HG CYS 34 0.622 -1.066 10.388 278 H ALA 35 H ALA 35 -0.919 3.267 11.713 279 HA ALA 35 HA ALA 35 -0.539 5.745 10.421 280 HB1 ALA 35 HB1 ALA 35 -2.644 6.390 11.502 281 HB2 ALA 35 HB2 ALA 35 -2.561 4.952 12.516 282 HB3 ALA 35 HB3 ALA 35 -2.750 4.790 10.770 283 H LEU 36 H LEU 36 -0.539 4.859 13.853 284 HA LEU 36 HA LEU 36 -0.006 7.467 14.792 285 HB2 LEU 36 HB2 LEU 36 0.487 4.797 16.078 286 HB3 LEU 36 HB3 LEU 36 0.758 6.327 16.890 287 HG LEU 36 HG LEU 36 -1.901 5.404 15.812 288 HD11 LEU 36 HD11 LEU 36 -1.204 4.014 17.671 289 HD12 LEU 36 HD12 LEU 36 -2.514 5.086 18.162 290 HD13 LEU 36 HD13 LEU 36 -0.855 5.446 18.637 291 HD21 LEU 36 HD21 LEU 36 -2.790 7.274 17.116 292 HD22 LEU 36 HD22 LEU 36 -1.690 7.821 15.854 293 HD23 LEU 36 HD23 LEU 36 -1.149 7.761 17.531 294 H LYS 37 H LYS 37 2.147 4.836 13.959 295 HA LYS 37 HA LYS 37 4.494 6.090 14.883 296 HB2 LYS 37 HB2 LYS 37 4.027 3.847 12.929 297 HB3 LYS 37 HB3 LYS 37 5.638 4.386 13.404 298 HG2 LYS 37 HG2 LYS 37 5.233 3.763 15.689 299 HG3 LYS 37 HG3 LYS 37 3.535 3.442 15.347 300 HD2 LYS 37 HD2 LYS 37 4.714 1.365 15.502 301 HD3 LYS 37 HD3 LYS 37 4.240 1.633 13.828 302 HE2 LYS 37 HE2 LYS 37 6.510 0.794 13.901 303 HE3 LYS 37 HE3 LYS 37 6.522 2.465 13.346 304 HZ1 LYS 37 HZ1 LYS 37 8.265 1.998 14.975 305 HZ2 LYS 37 HZ2 LYS 37 7.102 1.587 16.125 306 HZ3 LYS 37 HZ3 LYS 37 7.191 3.170 15.543 307 H TYR 38 H TYR 38 2.932 6.097 11.667 308 HA TYR 38 HA TYR 38 4.939 8.112 10.848 309 HB2 TYR 38 HB2 TYR 38 3.708 5.873 9.265 310 HB3 TYR 38 HB3 TYR 38 4.623 7.176 8.515 311 HD1 TYR 38 HD1 TYR 38 4.784 4.147 10.556 312 HD2 TYR 38 HD2 TYR 38 7.059 7.355 8.928 313 HE1 TYR 38 HE1 TYR 38 6.857 2.917 11.045 314 HE2 TYR 38 HE2 TYR 38 9.137 6.131 9.409 315 HH TYR 38 HH TYR 38 9.199 2.852 10.221 316 H HIS 39 H HIS 39 2.189 8.629 11.913 317 HA HIS 39 HA HIS 39 0.647 9.530 9.672 318 HB2 HIS 39 HB2 HIS 39 -0.774 10.728 11.304 319 HB3 HIS 39 HB3 HIS 39 -0.518 9.049 11.748 320 HD2 HIS 39 HD2 HIS 39 2.534 10.019 13.186 321 HE1 HIS 39 HE1 HIS 39 -0.211 11.667 15.958 322 HE2 HIS 39 HE2 HIS 39 2.052 10.641 15.647 323 HA PRO 40 HA PRO 40 2.768 13.197 8.514 324 HB2 PRO 40 HB2 PRO 40 0.636 14.626 7.530 325 HB3 PRO 40 HB3 PRO 40 1.448 13.323 6.651 326 HG2 PRO 40 HG2 PRO 40 -1.073 13.240 8.268 327 HG3 PRO 40 HG3 PRO 40 -0.731 12.501 6.692 328 HD2 PRO 40 HD2 PRO 40 -0.697 11.052 8.932 329 HD3 PRO 40 HD3 PRO 40 0.484 10.762 7.636 330 H ASP 41 H ASP 41 0.114 13.340 10.735 331 HA ASP 41 HA ASP 41 0.191 16.082 11.357 332 HB2 ASP 41 HB2 ASP 41 -0.814 13.695 12.865 333 HB3 ASP 41 HB3 ASP 41 -0.846 15.305 13.575 334 H LYS 42 H LYS 42 2.311 13.507 12.323 335 HA LYS 42 HA LYS 42 3.685 15.406 14.055 336 HB2 LYS 42 HB2 LYS 42 3.046 12.550 14.792 337 HB3 LYS 42 HB3 LYS 42 4.221 13.532 15.648 338 HG2 LYS 42 HG2 LYS 42 2.449 15.138 16.204 339 HG3 LYS 42 HG3 LYS 42 1.279 14.108 15.383 340 HD2 LYS 42 HD2 LYS 42 1.806 12.285 16.946 341 HD3 LYS 42 HD3 LYS 42 2.946 13.341 17.782 342 HE2 LYS 42 HE2 LYS 42 -0.014 13.847 17.487 343 HE3 LYS 42 HE3 LYS 42 0.767 13.192 18.925 344 HZ1 LYS 42 HZ1 LYS 42 0.346 15.571 19.111 345 HZ2 LYS 42 HZ2 LYS 42 1.306 15.876 17.760 346 HZ3 LYS 42 HZ3 LYS 42 1.998 15.240 19.163 347 H ASN 43 H ASN 43 3.721 12.964 11.705 348 HA ASN 43 HA ASN 43 6.644 12.930 11.649 349 HB2 ASN 43 HB2 ASN 43 4.619 11.051 10.412 350 HB3 ASN 43 HB3 ASN 43 6.361 10.902 10.239 351 HD21 ASN 43 HD21 ASN 43 7.575 10.161 11.941 352 HD22 ASN 43 HD22 ASN 43 6.872 9.453 13.351 353 HA PRO 44 HA PRO 44 5.645 15.825 8.360 354 HB2 PRO 44 HB2 PRO 44 8.104 16.864 8.059 355 HB3 PRO 44 HB3 PRO 44 7.075 17.252 9.445 356 HG2 PRO 44 HG2 PRO 44 9.323 15.282 9.254 357 HG3 PRO 44 HG3 PRO 44 8.984 16.468 10.528 358 HD2 PRO 44 HD2 PRO 44 8.321 13.838 10.736 359 HD3 PRO 44 HD3 PRO 44 7.377 15.145 11.513 360 H SER 45 H SER 45 7.660 13.060 8.088 361 HA SER 45 HA SER 45 8.652 13.601 5.507 362 HB2 SER 45 HB2 SER 45 8.731 10.926 5.643 363 HB3 SER 45 HB3 SER 45 9.942 11.978 6.367 364 HG SER 45 HG SER 45 9.394 10.853 8.071 365 H GLU 46 H GLU 46 7.855 13.318 3.599 366 HA GLU 46 HA GLU 46 5.104 12.984 3.202 367 HB2 GLU 46 HB2 GLU 46 5.624 12.952 0.820 368 HB3 GLU 46 HB3 GLU 46 6.530 14.212 1.646 369 HG2 GLU 46 HG2 GLU 46 8.465 12.603 1.696 370 HG3 GLU 46 HG3 GLU 46 7.529 11.578 0.614 371 H GLU 47 H GLU 47 7.770 10.784 2.985 372 HA GLU 47 HA GLU 47 6.503 8.545 1.897 373 HB2 GLU 47 HB2 GLU 47 8.761 8.815 3.837 374 HB3 GLU 47 HB3 GLU 47 8.303 7.288 3.093 375 HG2 GLU 47 HG2 GLU 47 8.747 8.250 0.883 376 HG3 GLU 47 HG3 GLU 47 9.257 9.750 1.658 377 H ALA 48 H ALA 48 6.828 9.696 5.176 378 HA ALA 48 HA ALA 48 5.652 7.512 6.486 379 HB1 ALA 48 HB1 ALA 48 5.257 9.076 8.352 380 HB2 ALA 48 HB2 ALA 48 5.656 10.421 7.284 381 HB3 ALA 48 HB3 ALA 48 6.890 9.233 7.702 382 H ALA 49 H ALA 49 4.412 10.395 5.149 383 HA ALA 49 HA ALA 49 1.686 10.043 5.787 384 HB1 ALA 49 HB1 ALA 49 1.219 11.698 4.050 385 HB2 ALA 49 HB2 ALA 49 2.860 11.521 3.429 386 HB3 ALA 49 HB3 ALA 49 2.593 12.198 5.035 387 H GLU 50 H GLU 50 3.638 9.045 3.045 388 HA GLU 50 HA GLU 50 1.636 7.928 1.415 389 HB2 GLU 50 HB2 GLU 50 4.474 6.962 1.806 390 HB3 GLU 50 HB3 GLU 50 3.440 6.579 0.441 391 HG2 GLU 50 HG2 GLU 50 3.391 9.034 -0.063 392 HG3 GLU 50 HG3 GLU 50 4.637 9.221 1.186 393 H LYS 51 H LYS 51 3.628 6.592 3.972 394 HA LYS 51 HA LYS 51 2.726 3.944 3.933 395 HB2 LYS 51 HB2 LYS 51 3.813 5.654 6.161 396 HB3 LYS 51 HB3 LYS 51 3.514 3.927 6.321 397 HG2 LYS 51 HG2 LYS 51 5.132 3.449 4.602 398 HG3 LYS 51 HG3 LYS 51 5.371 5.173 4.312 399 HD2 LYS 51 HD2 LYS 51 7.166 4.308 5.686 400 HD3 LYS 51 HD3 LYS 51 6.165 5.430 6.619 401 HE2 LYS 51 HE2 LYS 51 6.750 3.436 7.914 402 HE3 LYS 51 HE3 LYS 51 5.009 3.558 7.676 403 HZ1 LYS 51 HZ1 LYS 51 6.861 1.825 6.102 404 HZ2 LYS 51 HZ2 LYS 51 5.194 1.926 5.878 405 HZ3 LYS 51 HZ3 LYS 51 5.810 1.296 7.313 406 H PHE 52 H PHE 52 1.619 6.759 5.665 407 HA PHE 52 HA PHE 52 -0.369 5.609 7.242 408 HB2 PHE 52 HB2 PHE 52 0.418 7.904 7.550 409 HB3 PHE 52 HB3 PHE 52 -0.256 8.364 5.989 410 HD1 PHE 52 HD1 PHE 52 -1.064 7.460 9.451 411 HD2 PHE 52 HD2 PHE 52 -2.600 8.789 5.716 412 HE1 PHE 52 HE1 PHE 52 -3.196 8.044 10.535 413 HE2 PHE 52 HE2 PHE 52 -4.730 9.370 6.794 414 HZ PHE 52 HZ PHE 52 -5.027 9.000 9.205 415 H LYS 53 H LYS 53 -0.531 6.972 3.970 416 HA LYS 53 HA LYS 53 -3.262 6.567 3.491 417 HB2 LYS 53 HB2 LYS 53 -0.942 6.560 1.553 418 HB3 LYS 53 HB3 LYS 53 -2.632 6.643 1.081 419 HG2 LYS 53 HG2 LYS 53 -1.208 8.679 2.782 420 HG3 LYS 53 HG3 LYS 53 -1.518 8.829 1.048 421 HD2 LYS 53 HD2 LYS 53 -3.930 8.711 1.484 422 HD3 LYS 53 HD3 LYS 53 -3.603 8.589 3.214 423 HE2 LYS 53 HE2 LYS 53 -2.517 10.771 3.167 424 HE3 LYS 53 HE3 LYS 53 -2.827 10.893 1.436 425 HZ1 LYS 53 HZ1 LYS 53 -5.187 10.867 1.880 426 HZ2 LYS 53 HZ2 LYS 53 -4.449 12.116 2.741 427 HZ3 LYS 53 HZ3 LYS 53 -4.909 10.704 3.540 428 H GLU 54 H GLU 54 -0.485 4.428 2.924 429 HA GLU 54 HA GLU 54 -1.932 2.350 1.665 430 HB2 GLU 54 HB2 GLU 54 0.620 2.289 3.253 431 HB3 GLU 54 HB3 GLU 54 -0.018 0.930 2.341 432 HG2 GLU 54 HG2 GLU 54 0.145 2.199 0.300 433 HG3 GLU 54 HG3 GLU 54 0.744 3.583 1.215 434 H ALA 55 H ALA 55 -1.157 3.070 5.006 435 HA ALA 55 HA ALA 55 -2.003 0.626 6.115 436 HB1 ALA 55 HB1 ALA 55 -2.028 1.819 8.241 437 HB2 ALA 55 HB2 ALA 55 -1.923 3.360 7.389 438 HB3 ALA 55 HB3 ALA 55 -0.578 2.220 7.319 439 H SER 56 H SER 56 -3.644 3.665 5.416 440 HA SER 56 HA SER 56 -6.042 2.950 6.703 441 HB2 SER 56 HB2 SER 56 -7.026 4.866 5.510 442 HB3 SER 56 HB3 SER 56 -5.509 5.292 6.293 443 HG SER 56 HG SER 56 -4.731 4.612 3.968 444 H ALA 57 H ALA 57 -4.923 2.576 3.331 445 HA ALA 57 HA ALA 57 -7.448 1.567 2.424 446 HB1 ALA 57 HB1 ALA 57 -5.775 2.542 0.885 447 HB2 ALA 57 HB2 ALA 57 -6.272 0.925 0.390 448 HB3 ALA 57 HB3 ALA 57 -4.717 1.164 1.187 449 H ALA 58 H ALA 58 -4.489 0.010 3.521 450 HA ALA 58 HA ALA 58 -5.265 -2.640 3.093 451 HB1 ALA 58 HB1 ALA 58 -3.573 -3.232 4.714 452 HB2 ALA 58 HB2 ALA 58 -3.574 -1.595 5.365 453 HB3 ALA 58 HB3 ALA 58 -2.970 -1.891 3.738 454 H TYR 59 H TYR 59 -5.655 -0.466 5.820 455 HA TYR 59 HA TYR 59 -7.010 -2.190 7.524 456 HB2 TYR 59 HB2 TYR 59 -6.014 -0.129 8.250 457 HB3 TYR 59 HB3 TYR 59 -7.138 0.811 7.280 458 HD1 TYR 59 HD1 TYR 59 -6.963 -1.572 10.122 459 HD2 TYR 59 HD2 TYR 59 -9.154 1.548 8.245 460 HE1 TYR 59 HE1 TYR 59 -8.429 -1.431 12.080 461 HE2 TYR 59 HE2 TYR 59 -10.634 1.689 10.209 462 HH TYR 59 HH TYR 59 -11.350 0.220 12.086 463 H GLU 60 H GLU 60 -8.267 0.026 5.033 464 HA GLU 60 HA GLU 60 -10.912 -0.226 5.869 465 HB2 GLU 60 HB2 GLU 60 -11.620 0.789 3.821 466 HB3 GLU 60 HB3 GLU 60 -10.184 1.597 4.420 467 HG2 GLU 60 HG2 GLU 60 -8.841 0.346 2.798 468 HG3 GLU 60 HG3 GLU 60 -10.316 -0.390 2.181 469 H ILE 61 H ILE 61 -8.997 -2.267 3.751 470 HA ILE 61 HA ILE 61 -11.415 -3.808 3.119 471 HB ILE 61 HB ILE 61 -9.921 -5.203 1.697 472 HG12 ILE 61 HG12 ILE 61 -7.850 -3.064 2.248 473 HG13 ILE 61 HG13 ILE 61 -7.799 -4.705 2.881 474 HG21 ILE 61 HG21 ILE 61 -9.694 -3.530 -0.091 475 HG22 ILE 61 HG22 ILE 61 -9.964 -2.249 1.091 476 HG23 ILE 61 HG23 ILE 61 -11.246 -3.409 0.741 477 HD11 ILE 61 HD11 ILE 61 -7.637 -5.579 0.618 478 HD12 ILE 61 HD12 ILE 61 -6.333 -4.446 0.973 479 HD13 ILE 61 HD13 ILE 61 -7.697 -3.935 -0.021 480 H LEU 62 H LEU 62 -8.249 -4.341 4.577 481 HA LEU 62 HA LEU 62 -8.738 -6.974 5.350 482 HB2 LEU 62 HB2 LEU 62 -6.884 -4.890 6.398 483 HB3 LEU 62 HB3 LEU 62 -6.781 -6.592 6.866 484 HG LEU 62 HG LEU 62 -6.383 -5.403 4.121 485 HD11 LEU 62 HD11 LEU 62 -4.457 -6.709 6.030 486 HD12 LEU 62 HD12 LEU 62 -4.508 -5.007 5.567 487 HD13 LEU 62 HD13 LEU 62 -4.081 -6.233 4.374 488 HD21 LEU 62 HD21 LEU 62 -5.729 -7.702 3.441 489 HD22 LEU 62 HD22 LEU 62 -7.433 -7.555 3.858 490 HD23 LEU 62 HD23 LEU 62 -6.308 -8.293 4.999 491 H SER 63 H SER 63 -9.320 -3.957 7.142 492 HA SER 63 HA SER 63 -9.906 -5.240 9.627 493 HB2 SER 63 HB2 SER 63 -9.217 -2.818 9.364 494 HB3 SER 63 HB3 SER 63 -10.840 -2.501 8.758 495 HG SER 63 HG SER 63 -11.265 -3.786 10.951 496 H ASP 64 H ASP 64 -11.572 -5.031 6.760 497 HA ASP 64 HA ASP 64 -14.119 -5.566 8.099 498 HB2 ASP 64 HB2 ASP 64 -13.529 -4.397 5.379 499 HB3 ASP 64 HB3 ASP 64 -15.089 -5.118 5.748 500 HA PRO 65 HA PRO 65 -12.650 -9.688 7.129 501 HB2 PRO 65 HB2 PRO 65 -15.437 -10.226 8.016 502 HB3 PRO 65 HB3 PRO 65 -13.926 -10.998 8.516 503 HG2 PRO 65 HG2 PRO 65 -15.173 -9.254 10.040 504 HG3 PRO 65 HG3 PRO 65 -13.381 -9.279 9.987 505 HD2 PRO 65 HD2 PRO 65 -15.346 -7.369 8.796 506 HD3 PRO 65 HD3 PRO 65 -13.701 -7.059 9.372 507 H GLU 66 H GLU 66 -15.667 -8.285 6.135 508 HA GLU 66 HA GLU 66 -16.234 -10.434 4.307 509 HB2 GLU 66 HB2 GLU 66 -17.584 -7.747 4.594 510 HB3 GLU 66 HB3 GLU 66 -18.193 -9.115 3.666 511 HG2 GLU 66 HG2 GLU 66 -18.170 -10.425 5.851 512 HG3 GLU 66 HG3 GLU 66 -17.875 -8.893 6.635 513 H LYS 67 H LYS 67 -14.886 -7.229 4.216 514 HA LYS 67 HA LYS 67 -14.742 -7.013 1.392 515 HB2 LYS 67 HB2 LYS 67 -13.481 -5.632 3.734 516 HB3 LYS 67 HB3 LYS 67 -13.063 -5.188 2.066 517 HG2 LYS 67 HG2 LYS 67 -15.806 -5.052 3.325 518 HG3 LYS 67 HG3 LYS 67 -14.724 -3.681 3.067 519 HD2 LYS 67 HD2 LYS 67 -14.771 -4.237 0.612 520 HD3 LYS 67 HD3 LYS 67 -16.041 -5.407 0.971 521 HE2 LYS 67 HE2 LYS 67 -17.044 -3.346 0.216 522 HE3 LYS 67 HE3 LYS 67 -17.403 -3.576 1.928 523 HZ1 LYS 67 HZ1 LYS 67 -15.267 -1.826 0.836 524 HZ2 LYS 67 HZ2 LYS 67 -15.622 -2.033 2.470 525 HZ3 LYS 67 HZ3 LYS 67 -16.742 -1.290 1.456 526 H ARG 68 H ARG 68 -12.771 -8.028 4.035 527 HA ARG 68 HA ARG 68 -10.347 -8.435 2.802 528 HB2 ARG 68 HB2 ARG 68 -11.147 -8.360 5.269 529 HB3 ARG 68 HB3 ARG 68 -11.475 -10.058 5.044 530 HG2 ARG 68 HG2 ARG 68 -8.771 -9.091 4.320 531 HG3 ARG 68 HG3 ARG 68 -9.179 -9.255 6.027 532 HD2 ARG 68 HD2 ARG 68 -9.847 -11.594 5.618 533 HD3 ARG 68 HD3 ARG 68 -9.386 -11.413 3.927 534 HE ARG 68 HE ARG 68 -7.173 -11.539 4.518 535 HH11 ARG 68 HH11 ARG 68 -9.159 -11.304 7.413 536 HH12 ARG 68 HH12 ARG 68 -7.875 -11.751 8.478 537 HH21 ARG 68 HH21 ARG 68 -5.480 -12.165 5.953 538 HH22 ARG 68 HH22 ARG 68 -5.803 -12.243 7.653 539 H ASP 69 H ASP 69 -13.081 -10.631 3.397 540 HA ASP 69 HA ASP 69 -11.893 -12.912 2.235 541 HB2 ASP 69 HB2 ASP 69 -14.786 -12.209 2.725 542 HB3 ASP 69 HB3 ASP 69 -14.291 -13.743 2.019 543 H ILE 70 H ILE 70 -13.892 -10.375 0.992 544 HA ILE 70 HA ILE 70 -14.168 -11.282 -1.647 545 HB ILE 70 HB ILE 70 -14.110 -8.579 -0.356 546 HG12 ILE 70 HG12 ILE 70 -16.035 -9.942 0.184 547 HG13 ILE 70 HG13 ILE 70 -16.534 -8.585 -0.818 548 HG21 ILE 70 HG21 ILE 70 -14.978 -7.609 -2.479 549 HG22 ILE 70 HG22 ILE 70 -14.731 -9.163 -3.274 550 HG23 ILE 70 HG23 ILE 70 -13.347 -8.254 -2.666 551 HD11 ILE 70 HD11 ILE 70 -17.698 -10.578 -1.491 552 HD12 ILE 70 HD12 ILE 70 -16.177 -11.439 -1.706 553 HD13 ILE 70 HD13 ILE 70 -16.584 -10.093 -2.770 554 H TYR 71 H TYR 71 -11.774 -9.195 -0.083 555 HA TYR 71 HA TYR 71 -10.140 -8.719 -2.303 556 HB2 TYR 71 HB2 TYR 71 -9.912 -7.406 -0.273 557 HB3 TYR 71 HB3 TYR 71 -9.426 -8.831 0.635 558 HD1 TYR 71 HD1 TYR 71 -8.381 -6.741 -2.276 559 HD2 TYR 71 HD2 TYR 71 -7.157 -9.290 0.905 560 HE1 TYR 71 HE1 TYR 71 -6.027 -6.241 -2.787 561 HE2 TYR 71 HE2 TYR 71 -4.801 -8.801 0.399 562 HH TYR 71 HH TYR 71 -3.889 -6.294 -1.812 563 H ASP 72 H ASP 72 -9.945 -11.285 0.114 564 HA ASP 72 HA ASP 72 -7.611 -12.501 -0.841 565 HB2 ASP 72 HB2 ASP 72 -9.983 -13.634 0.613 566 HB3 ASP 72 HB3 ASP 72 -8.577 -14.598 0.190 567 H GLN 73 H GLN 73 -10.949 -12.941 -1.802 568 HA GLN 73 HA GLN 73 -10.574 -15.213 -3.433 569 HB2 GLN 73 HB2 GLN 73 -12.677 -13.058 -3.454 570 HB3 GLN 73 HB3 GLN 73 -12.736 -14.474 -4.495 571 HG2 GLN 73 HG2 GLN 73 -12.855 -15.928 -2.592 572 HG3 GLN 73 HG3 GLN 73 -12.620 -14.564 -1.502 573 HE21 GLN 73 HE21 GLN 73 -14.285 -13.201 -1.082 574 HE22 GLN 73 HE22 GLN 73 -15.922 -13.537 -1.527 575 H PHE 74 H PHE 74 -10.380 -11.786 -4.030 576 HA PHE 74 HA PHE 74 -9.745 -12.317 -6.846 577 HB2 PHE 74 HB2 PHE 74 -10.421 -9.728 -5.445 578 HB3 PHE 74 HB3 PHE 74 -9.980 -9.851 -7.143 579 HD1 PHE 74 HD1 PHE 74 -12.593 -10.368 -4.674 580 HD2 PHE 74 HD2 PHE 74 -11.478 -10.968 -8.735 581 HE1 PHE 74 HE1 PHE 74 -14.941 -10.815 -5.247 582 HE2 PHE 74 HE2 PHE 74 -13.827 -11.414 -9.317 583 HZ PHE 74 HZ PHE 74 -15.561 -11.338 -7.572 584 H GLY 75 H GLY 75 -8.137 -12.060 -4.026 585 HA2 GLY 75 HA2 GLY 75 -5.717 -11.110 -5.420 586 HA3 GLY 75 HA3 GLY 75 -6.081 -10.623 -3.770 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 10.822 2.129 -7.718 2 H2 GLY 1 HT2 GLY 1 9.367 2.869 -7.297 3 H3 GLY 1 HT3 GLY 1 10.653 3.805 -7.876 4 HA2 GLY 1 HA3 GLY 1 8.993 3.516 -9.581 5 HA3 GLY 1 HA2 GLY 1 10.506 2.736 -10.023 6 H GLU 2 H GLU 2 8.267 1.952 -11.299 7 HA GLU 2 HA GLU 2 8.010 -0.787 -10.382 8 HB2 GLU 2 HB2 GLU 2 5.561 -0.788 -10.613 9 HB3 GLU 2 HB3 GLU 2 6.089 0.303 -9.342 10 HG2 GLU 2 HG2 GLU 2 5.831 2.189 -10.938 11 HG3 GLU 2 HG3 GLU 2 5.154 1.050 -12.102 12 H PHE 3 H PHE 3 6.718 -2.060 -12.091 13 HA PHE 3 HA PHE 3 7.597 -1.112 -14.728 14 HB2 PHE 3 HB2 PHE 3 7.475 -3.943 -13.670 15 HB3 PHE 3 HB3 PHE 3 7.865 -3.511 -15.330 16 HD1 PHE 3 HD1 PHE 3 9.087 -3.800 -11.944 17 HD2 PHE 3 HD2 PHE 3 9.947 -2.258 -15.816 18 HE1 PHE 3 HE1 PHE 3 11.451 -3.554 -11.319 19 HE2 PHE 3 HE2 PHE 3 12.311 -2.013 -15.198 20 HZ PHE 3 HZ PHE 3 13.068 -2.658 -12.948 21 H GLY 4 H GLY 4 6.351 -1.915 -16.546 22 HA2 GLY 4 HA2 GLY 4 3.577 -1.490 -16.106 23 HA3 GLY 4 HA3 GLY 4 4.334 -1.925 -17.630 24 H SER 5 H SER 5 1.855 -2.851 -16.535 25 HA SER 5 HA SER 5 0.614 -4.721 -16.414 26 HB2 SER 5 HB2 SER 5 3.076 -6.070 -17.528 27 HB3 SER 5 HB3 SER 5 1.446 -6.740 -17.516 28 HG SER 5 HG SER 5 0.809 -4.931 -18.809 29 H MET 6 H MET 6 2.114 -3.950 -14.051 30 HA MET 6 HA MET 6 2.643 -6.550 -12.818 31 HB2 MET 6 HB2 MET 6 3.089 -3.740 -11.796 32 HB3 MET 6 HB3 MET 6 3.334 -5.178 -10.817 33 HG2 MET 6 HG2 MET 6 5.065 -5.939 -12.340 34 HG3 MET 6 HG3 MET 6 4.795 -4.531 -13.366 35 HE1 MET 6 HE1 MET 6 6.675 -4.466 -9.153 36 HE2 MET 6 HE2 MET 6 6.268 -5.924 -10.059 37 HE3 MET 6 HE3 MET 6 4.986 -4.903 -9.409 38 H VAL 7 H VAL 7 1.171 -7.546 -11.616 39 HA VAL 7 HA VAL 7 -1.344 -6.234 -11.106 40 HB VAL 7 HB VAL 7 -0.408 -9.040 -10.445 41 HG11 VAL 7 HG11 VAL 7 -2.786 -9.550 -10.113 42 HG12 VAL 7 HG12 VAL 7 -3.175 -7.846 -10.351 43 HG13 VAL 7 HG13 VAL 7 -2.206 -8.344 -8.963 44 HG21 VAL 7 HG21 VAL 7 -0.494 -8.632 -12.842 45 HG22 VAL 7 HG22 VAL 7 -2.141 -8.023 -12.696 46 HG23 VAL 7 HG23 VAL 7 -1.795 -9.717 -12.352 47 H LYS 8 H LYS 8 -1.510 -4.968 -9.418 48 HA LYS 8 HA LYS 8 0.232 -5.130 -7.169 49 HB2 LYS 8 HB2 LYS 8 -2.267 -3.494 -7.630 50 HB3 LYS 8 HB3 LYS 8 -1.133 -3.257 -6.307 51 HG2 LYS 8 HG2 LYS 8 0.641 -2.756 -7.906 52 HG3 LYS 8 HG3 LYS 8 -0.485 -3.004 -9.237 53 HD2 LYS 8 HD2 LYS 8 -1.856 -1.140 -8.369 54 HD3 LYS 8 HD3 LYS 8 -0.646 -0.873 -7.109 55 HE2 LYS 8 HE2 LYS 8 -0.138 -0.734 -10.083 56 HE3 LYS 8 HE3 LYS 8 -0.355 0.656 -9.023 57 HZ1 LYS 8 HZ1 LYS 8 2.002 0.101 -9.515 58 HZ2 LYS 8 HZ2 LYS 8 1.804 -1.359 -8.680 59 HZ3 LYS 8 HZ3 LYS 8 1.637 0.107 -7.862 60 H GLU 9 H GLU 9 0.061 -6.742 -5.825 61 HA GLU 9 HA GLU 9 -2.602 -7.690 -5.017 62 HB2 GLU 9 HB2 GLU 9 -1.488 -9.189 -6.572 63 HB3 GLU 9 HB3 GLU 9 -0.060 -9.211 -5.554 64 HG2 GLU 9 HG2 GLU 9 -1.465 -10.238 -3.774 65 HG3 GLU 9 HG3 GLU 9 -2.753 -10.387 -4.973 66 H THR 10 H THR 10 -2.947 -7.872 -2.867 67 HA THR 10 HA THR 10 -2.682 -7.929 -0.637 68 HB THR 10 HB THR 10 -0.676 -9.053 0.355 69 HG1 THR 10 HG1 THR 10 0.444 -8.430 -1.961 70 HG21 THR 10 HG21 THR 10 -2.584 -10.383 -0.272 71 HG22 THR 10 HG22 THR 10 -1.112 -11.264 -0.684 72 HG23 THR 10 HG23 THR 10 -2.037 -10.448 -1.943 73 H LYS 11 H LYS 11 -1.749 -5.615 -2.147 74 HA LYS 11 HA LYS 11 0.455 -4.375 -0.961 75 HB2 LYS 11 HB2 LYS 11 -2.022 -3.130 -2.092 76 HB3 LYS 11 HB3 LYS 11 -0.673 -2.185 -1.485 77 HG2 LYS 11 HG2 LYS 11 0.791 -3.282 -3.129 78 HG3 LYS 11 HG3 LYS 11 -0.625 -4.140 -3.752 79 HD2 LYS 11 HD2 LYS 11 -0.155 -2.173 -5.109 80 HD3 LYS 11 HD3 LYS 11 -1.688 -1.977 -4.250 81 HE2 LYS 11 HE2 LYS 11 -0.567 -0.607 -2.566 82 HE3 LYS 11 HE3 LYS 11 0.974 -0.842 -3.385 83 HZ1 LYS 11 HZ1 LYS 11 -0.060 1.294 -3.875 84 HZ2 LYS 11 HZ2 LYS 11 -1.390 0.513 -4.555 85 HZ3 LYS 11 HZ3 LYS 11 0.133 0.367 -5.271 86 H PHE 12 H PHE 12 -2.861 -4.505 0.169 87 HA PHE 12 HA PHE 12 -2.353 -2.555 2.188 88 HB2 PHE 12 HB2 PHE 12 -4.702 -4.311 1.613 89 HB3 PHE 12 HB3 PHE 12 -4.590 -3.440 3.145 90 HD1 PHE 12 HD1 PHE 12 -6.186 -3.237 0.198 91 HD2 PHE 12 HD2 PHE 12 -3.525 -0.898 2.543 92 HE1 PHE 12 HE1 PHE 12 -7.042 -1.187 -0.867 93 HE2 PHE 12 HE2 PHE 12 -4.377 1.147 1.495 94 HZ PHE 12 HZ PHE 12 -6.136 1.011 -0.201 95 H TYR 13 H TYR 13 -2.149 -6.022 2.033 96 HA TYR 13 HA TYR 13 -1.872 -6.416 4.865 97 HB2 TYR 13 HB2 TYR 13 -0.841 -8.100 2.560 98 HB3 TYR 13 HB3 TYR 13 -0.791 -8.583 4.251 99 HD1 TYR 13 HD1 TYR 13 -2.642 -8.691 1.239 100 HD2 TYR 13 HD2 TYR 13 -3.093 -8.731 5.463 101 HE1 TYR 13 HE1 TYR 13 -4.843 -9.753 0.986 102 HE2 TYR 13 HE2 TYR 13 -5.296 -9.790 5.226 103 HH TYR 13 HH TYR 13 -6.374 -11.109 2.254 104 H ASP 14 H ASP 14 0.328 -6.064 2.153 105 HA ASP 14 HA ASP 14 2.782 -6.063 3.445 106 HB2 ASP 14 HB2 ASP 14 1.821 -4.607 0.999 107 HB3 ASP 14 HB3 ASP 14 3.494 -4.561 1.513 108 H ILE 15 H ILE 15 0.649 -3.347 2.768 109 HA ILE 15 HA ILE 15 2.309 -1.325 3.783 110 HB ILE 15 HB ILE 15 -0.651 -1.495 3.365 111 HG12 ILE 15 HG12 ILE 15 1.449 0.159 1.953 112 HG13 ILE 15 HG13 ILE 15 0.883 -1.440 1.413 113 HG21 ILE 15 HG21 ILE 15 -0.337 0.072 5.210 114 HG22 ILE 15 HG22 ILE 15 -0.778 0.954 3.748 115 HG23 ILE 15 HG23 ILE 15 0.899 0.933 4.294 116 HD11 ILE 15 HD11 ILE 15 -0.184 0.355 0.171 117 HD12 ILE 15 HD12 ILE 15 -0.791 1.052 1.673 118 HD13 ILE 15 HD13 ILE 15 -1.366 -0.527 1.139 119 H LEU 16 H LEU 16 -0.430 -2.960 5.392 120 HA LEU 16 HA LEU 16 0.098 -1.767 7.882 121 HB2 LEU 16 HB2 LEU 16 -1.399 -4.282 7.220 122 HB3 LEU 16 HB3 LEU 16 -1.260 -3.672 8.856 123 HG LEU 16 HG LEU 16 -2.580 -2.228 6.549 124 HD11 LEU 16 HD11 LEU 16 -4.647 -2.688 7.706 125 HD12 LEU 16 HD12 LEU 16 -3.773 -3.542 8.977 126 HD13 LEU 16 HD13 LEU 16 -3.809 -4.198 7.341 127 HD21 LEU 16 HD21 LEU 16 -1.586 -0.663 8.126 128 HD22 LEU 16 HD22 LEU 16 -2.345 -1.512 9.472 129 HD23 LEU 16 HD23 LEU 16 -3.342 -0.666 8.290 130 H GLY 17 H GLY 17 1.565 -4.521 6.369 131 HA2 GLY 17 HA2 GLY 17 3.606 -5.451 7.063 132 HA3 GLY 17 HA3 GLY 17 3.397 -4.685 8.635 133 H VAL 18 H VAL 18 0.782 -6.308 7.261 134 HA VAL 18 HA VAL 18 1.003 -8.439 9.282 135 HB VAL 18 HB VAL 18 -1.438 -8.756 8.992 136 HG11 VAL 18 HG11 VAL 18 -0.618 -7.323 10.761 137 HG12 VAL 18 HG12 VAL 18 -2.145 -6.718 10.120 138 HG13 VAL 18 HG13 VAL 18 -0.627 -5.944 9.662 139 HG21 VAL 18 HG21 VAL 18 -1.655 -7.958 6.700 140 HG22 VAL 18 HG22 VAL 18 -1.262 -6.321 7.223 141 HG23 VAL 18 HG23 VAL 18 -2.753 -7.088 7.772 142 HA PRO 19 HA PRO 19 1.338 -11.506 6.081 143 HB2 PRO 19 HB2 PRO 19 -0.123 -13.543 7.137 144 HB3 PRO 19 HB3 PRO 19 1.486 -13.119 7.747 145 HG2 PRO 19 HG2 PRO 19 -1.210 -12.345 8.804 146 HG3 PRO 19 HG3 PRO 19 0.201 -12.960 9.688 147 HD2 PRO 19 HD2 PRO 19 -0.379 -10.343 9.631 148 HD3 PRO 19 HD3 PRO 19 1.304 -10.903 9.582 149 H VAL 20 H VAL 20 -0.001 -12.676 4.494 150 HA VAL 20 HA VAL 20 -2.302 -11.279 3.694 151 HB VAL 20 HB VAL 20 -1.299 -14.050 2.950 152 HG11 VAL 20 HG11 VAL 20 -3.647 -13.827 2.414 153 HG12 VAL 20 HG12 VAL 20 -2.675 -13.829 0.944 154 HG13 VAL 20 HG13 VAL 20 -3.331 -12.315 1.564 155 HG21 VAL 20 HG21 VAL 20 -0.389 -12.947 0.954 156 HG22 VAL 20 HG22 VAL 20 0.320 -12.313 2.440 157 HG23 VAL 20 HG23 VAL 20 -0.916 -11.387 1.587 158 H THR 21 H THR 21 -1.626 -14.031 5.649 159 HA THR 21 HA THR 21 -4.376 -14.937 5.919 160 HB THR 21 HB THR 21 -1.971 -15.930 7.456 161 HG1 THR 21 HG1 THR 21 -1.718 -17.413 5.644 162 HG21 THR 21 HG21 THR 21 -4.480 -17.314 6.459 163 HG22 THR 21 HG22 THR 21 -4.186 -16.801 8.121 164 HG23 THR 21 HG23 THR 21 -3.193 -18.068 7.401 165 H ALA 22 H ALA 22 -3.228 -12.253 6.999 166 HA ALA 22 HA ALA 22 -3.059 -12.333 9.795 167 HB1 ALA 22 HB1 ALA 22 -3.927 -9.999 8.114 168 HB2 ALA 22 HB2 ALA 22 -2.254 -10.486 8.376 169 HB3 ALA 22 HB3 ALA 22 -3.239 -9.949 9.738 170 H THR 23 H THR 23 -4.445 -11.673 11.381 171 HA THR 23 HA THR 23 -7.307 -11.935 10.741 172 HB THR 23 HB THR 23 -6.401 -13.582 12.369 173 HG1 THR 23 HG1 THR 23 -8.503 -13.291 12.648 174 HG21 THR 23 HG21 THR 23 -5.909 -11.158 14.078 175 HG22 THR 23 HG22 THR 23 -4.696 -12.275 13.462 176 HG23 THR 23 HG23 THR 23 -5.866 -12.818 14.663 177 H ASP 24 H ASP 24 -8.610 -10.767 12.584 178 HA ASP 24 HA ASP 24 -8.520 -8.026 12.125 179 HB2 ASP 24 HB2 ASP 24 -9.710 -9.492 14.493 180 HB3 ASP 24 HB3 ASP 24 -10.083 -7.841 14.028 181 H VAL 25 H VAL 25 -7.100 -10.001 14.664 182 HA VAL 25 HA VAL 25 -6.519 -7.860 16.438 183 HB VAL 25 HB VAL 25 -5.377 -10.644 16.219 184 HG11 VAL 25 HG11 VAL 25 -4.496 -10.286 18.493 185 HG12 VAL 25 HG12 VAL 25 -4.973 -8.591 18.390 186 HG13 VAL 25 HG13 VAL 25 -3.742 -9.230 17.301 187 HG21 VAL 25 HG21 VAL 25 -7.411 -9.433 18.088 188 HG22 VAL 25 HG22 VAL 25 -6.775 -11.073 18.201 189 HG23 VAL 25 HG23 VAL 25 -7.729 -10.593 16.797 190 H GLU 26 H GLU 26 -4.672 -9.535 13.941 191 HA GLU 26 HA GLU 26 -2.194 -8.203 14.415 192 HB2 GLU 26 HB2 GLU 26 -3.290 -9.685 12.026 193 HB3 GLU 26 HB3 GLU 26 -1.645 -9.059 12.114 194 HG2 GLU 26 HG2 GLU 26 -1.161 -10.479 13.986 195 HG3 GLU 26 HG3 GLU 26 -2.832 -11.037 14.038 196 H ILE 27 H ILE 27 -4.954 -7.717 12.365 197 HA ILE 27 HA ILE 27 -3.999 -5.601 10.805 198 HB ILE 27 HB ILE 27 -6.773 -6.506 11.594 199 HG12 ILE 27 HG12 ILE 27 -5.354 -6.637 8.929 200 HG13 ILE 27 HG13 ILE 27 -5.294 -7.925 10.125 201 HG21 ILE 27 HG21 ILE 27 -6.879 -4.098 11.118 202 HG22 ILE 27 HG22 ILE 27 -7.649 -5.022 9.827 203 HG23 ILE 27 HG23 ILE 27 -6.035 -4.352 9.591 204 HD11 ILE 27 HD11 ILE 27 -7.816 -6.873 8.871 205 HD12 ILE 27 HD12 ILE 27 -7.661 -8.264 9.943 206 HD13 ILE 27 HD13 ILE 27 -6.939 -8.305 8.334 207 H LYS 28 H LYS 28 -5.749 -5.672 13.907 208 HA LYS 28 HA LYS 28 -6.214 -2.959 14.201 209 HB2 LYS 28 HB2 LYS 28 -7.318 -4.660 15.520 210 HB3 LYS 28 HB3 LYS 28 -5.784 -5.179 16.195 211 HG2 LYS 28 HG2 LYS 28 -6.819 -3.931 17.855 212 HG3 LYS 28 HG3 LYS 28 -5.576 -2.887 17.167 213 HD2 LYS 28 HD2 LYS 28 -7.540 -1.551 17.472 214 HD3 LYS 28 HD3 LYS 28 -7.369 -1.852 15.741 215 HE2 LYS 28 HE2 LYS 28 -9.040 -3.584 15.823 216 HE3 LYS 28 HE3 LYS 28 -9.125 -3.475 17.578 217 HZ1 LYS 28 HZ1 LYS 28 -9.954 -1.187 17.308 218 HZ2 LYS 28 HZ2 LYS 28 -10.967 -2.340 16.607 219 HZ3 LYS 28 HZ3 LYS 28 -9.964 -1.400 15.627 220 H LYS 29 H LYS 29 -3.563 -5.002 15.402 221 HA LYS 29 HA LYS 29 -2.233 -2.844 16.704 222 HB2 LYS 29 HB2 LYS 29 -0.357 -4.441 17.012 223 HB3 LYS 29 HB3 LYS 29 -1.907 -5.059 17.563 224 HG2 LYS 29 HG2 LYS 29 -2.116 -6.388 15.549 225 HG3 LYS 29 HG3 LYS 29 -0.588 -5.746 14.944 226 HD2 LYS 29 HD2 LYS 29 -0.205 -7.925 15.891 227 HD3 LYS 29 HD3 LYS 29 0.547 -6.714 16.930 228 HE2 LYS 29 HE2 LYS 29 -1.349 -6.839 18.461 229 HE3 LYS 29 HE3 LYS 29 -2.141 -8.006 17.406 230 HZ1 LYS 29 HZ1 LYS 29 -1.049 -9.093 19.263 231 HZ2 LYS 29 HZ2 LYS 29 0.439 -8.423 18.821 232 HZ3 LYS 29 HZ3 LYS 29 -0.315 -9.546 17.810 233 H ALA 30 H ALA 30 -1.842 -4.362 13.587 234 HA ALA 30 HA ALA 30 0.430 -3.001 12.775 235 HB1 ALA 30 HB1 ALA 30 -0.222 -3.549 10.530 236 HB2 ALA 30 HB2 ALA 30 -1.870 -3.889 11.060 237 HB3 ALA 30 HB3 ALA 30 -0.541 -4.920 11.592 238 H TYR 31 H TYR 31 -2.999 -2.175 12.582 239 HA TYR 31 HA TYR 31 -2.670 0.257 11.234 240 HB2 TYR 31 HB2 TYR 31 -4.859 -0.716 11.372 241 HB3 TYR 31 HB3 TYR 31 -4.819 -0.718 13.134 242 HD1 TYR 31 HD1 TYR 31 -4.628 1.636 10.234 243 HD2 TYR 31 HD2 TYR 31 -5.859 1.041 14.263 244 HE1 TYR 31 HE1 TYR 31 -5.691 3.854 10.234 245 HE2 TYR 31 HE2 TYR 31 -6.926 3.259 14.269 246 HH TYR 31 HH TYR 31 -7.414 5.060 11.400 247 H ARG 32 H ARG 32 -2.738 -0.628 14.624 248 HA ARG 32 HA ARG 32 -2.577 1.901 15.793 249 HB2 ARG 32 HB2 ARG 32 -1.389 -0.724 16.690 250 HB3 ARG 32 HB3 ARG 32 -1.515 0.706 17.699 251 HG2 ARG 32 HG2 ARG 32 -3.843 -0.704 16.459 252 HG3 ARG 32 HG3 ARG 32 -3.257 -1.011 18.089 253 HD2 ARG 32 HD2 ARG 32 -3.599 1.407 18.571 254 HD3 ARG 32 HD3 ARG 32 -4.320 1.576 16.970 255 HE ARG 32 HE ARG 32 -5.541 -0.484 18.538 256 HH11 ARG 32 HH11 ARG 32 -5.530 2.971 17.945 257 HH12 ARG 32 HH12 ARG 32 -7.159 3.200 18.477 258 HH21 ARG 32 HH21 ARG 32 -7.686 -0.175 19.290 259 HH22 ARG 32 HH22 ARG 32 -8.382 1.405 19.269 260 H LYS 33 H LYS 33 -0.012 -0.356 14.827 261 HA LYS 33 HA LYS 33 2.056 1.449 15.669 262 HB2 LYS 33 HB2 LYS 33 3.628 -0.109 14.843 263 HB3 LYS 33 HB3 LYS 33 2.296 -1.054 15.494 264 HG2 LYS 33 HG2 LYS 33 1.434 -1.385 13.222 265 HG3 LYS 33 HG3 LYS 33 2.793 -0.439 12.602 266 HD2 LYS 33 HD2 LYS 33 4.362 -2.086 13.462 267 HD3 LYS 33 HD3 LYS 33 3.029 -3.028 14.136 268 HE2 LYS 33 HE2 LYS 33 3.752 -4.001 12.029 269 HE3 LYS 33 HE3 LYS 33 2.129 -3.344 11.865 270 HZ1 LYS 33 HZ1 LYS 33 3.120 -1.354 10.836 271 HZ2 LYS 33 HZ2 LYS 33 3.427 -2.756 9.956 272 HZ3 LYS 33 HZ3 LYS 33 4.645 -2.080 10.913 273 H CYS 34 H CYS 34 0.668 0.680 12.493 274 HA CYS 34 HA CYS 34 2.506 2.280 11.078 275 HB2 CYS 34 HB2 CYS 34 -0.312 1.444 10.415 276 HB3 CYS 34 HB3 CYS 34 0.719 2.331 9.292 277 HG CYS 34 HG CYS 34 0.486 -0.846 9.654 278 H ALA 35 H ALA 35 -0.692 3.076 12.386 279 HA ALA 35 HA ALA 35 -0.730 5.748 11.491 280 HB1 ALA 35 HB1 ALA 35 -2.736 4.559 12.226 281 HB2 ALA 35 HB2 ALA 35 -2.528 6.069 13.113 282 HB3 ALA 35 HB3 ALA 35 -2.120 4.533 13.878 283 H LEU 36 H LEU 36 0.229 4.348 14.574 284 HA LEU 36 HA LEU 36 0.902 6.817 15.806 285 HB2 LEU 36 HB2 LEU 36 1.735 4.011 16.474 286 HB3 LEU 36 HB3 LEU 36 2.180 5.403 17.439 287 HG LEU 36 HG LEU 36 -0.659 4.531 16.901 288 HD11 LEU 36 HD11 LEU 36 1.042 4.159 19.361 289 HD12 LEU 36 HD12 LEU 36 0.529 2.888 18.249 290 HD13 LEU 36 HD13 LEU 36 -0.669 3.755 19.210 291 HD21 LEU 36 HD21 LEU 36 -1.206 6.101 18.713 292 HD22 LEU 36 HD22 LEU 36 -0.473 6.917 17.334 293 HD23 LEU 36 HD23 LEU 36 0.484 6.598 18.781 294 H LYS 37 H LYS 37 2.851 4.496 14.038 295 HA LYS 37 HA LYS 37 5.345 5.663 14.638 296 HB2 LYS 37 HB2 LYS 37 4.460 3.810 12.430 297 HB3 LYS 37 HB3 LYS 37 6.133 4.338 12.622 298 HG2 LYS 37 HG2 LYS 37 6.292 3.264 14.765 299 HG3 LYS 37 HG3 LYS 37 4.563 2.927 14.776 300 HD2 LYS 37 HD2 LYS 37 5.775 0.920 14.234 301 HD3 LYS 37 HD3 LYS 37 4.878 1.459 12.817 302 HE2 LYS 37 HE2 LYS 37 6.908 2.434 11.880 303 HE3 LYS 37 HE3 LYS 37 7.812 1.981 13.324 304 HZ1 LYS 37 HZ1 LYS 37 7.457 -0.335 12.803 305 HZ2 LYS 37 HZ2 LYS 37 8.154 0.436 11.475 306 HZ3 LYS 37 HZ3 LYS 37 6.512 0.063 11.460 307 H TYR 38 H TYR 38 3.164 6.141 11.854 308 HA TYR 38 HA TYR 38 4.939 8.341 11.009 309 HB2 TYR 38 HB2 TYR 38 3.194 6.512 9.393 310 HB3 TYR 38 HB3 TYR 38 3.987 7.931 8.712 311 HD1 TYR 38 HD1 TYR 38 4.449 4.564 10.046 312 HD2 TYR 38 HD2 TYR 38 6.428 7.996 8.503 313 HE1 TYR 38 HE1 TYR 38 6.500 3.253 9.780 314 HE2 TYR 38 HE2 TYR 38 8.487 6.689 8.224 315 HH TYR 38 HH TYR 38 9.519 4.638 9.218 316 H HIS 39 H HIS 39 2.491 8.436 12.820 317 HA HIS 39 HA HIS 39 0.464 9.860 11.554 318 HB2 HIS 39 HB2 HIS 39 -0.112 10.718 13.790 319 HB3 HIS 39 HB3 HIS 39 0.226 8.994 13.821 320 HD2 HIS 39 HD2 HIS 39 3.649 9.798 13.990 321 HE1 HIS 39 HE1 HIS 39 2.380 10.909 17.880 322 HE2 HIS 39 HE2 HIS 39 4.282 10.058 16.487 323 HA PRO 40 HA PRO 40 2.282 13.759 10.423 324 HB2 PRO 40 HB2 PRO 40 0.018 15.292 10.472 325 HB3 PRO 40 HB3 PRO 40 0.396 14.155 9.170 326 HG2 PRO 40 HG2 PRO 40 -1.396 13.780 11.547 327 HG3 PRO 40 HG3 PRO 40 -1.686 13.346 9.853 328 HD2 PRO 40 HD2 PRO 40 -0.940 11.514 11.648 329 HD3 PRO 40 HD3 PRO 40 -0.338 11.463 9.975 330 H ASP 41 H ASP 41 0.692 13.234 13.404 331 HA ASP 41 HA ASP 41 0.913 15.815 14.554 332 HB2 ASP 41 HB2 ASP 41 0.790 13.101 15.880 333 HB3 ASP 41 HB3 ASP 41 0.624 14.637 16.722 334 H LYS 42 H LYS 42 3.245 13.483 13.819 335 HA LYS 42 HA LYS 42 5.253 14.919 15.364 336 HB2 LYS 42 HB2 LYS 42 4.796 11.952 15.579 337 HB3 LYS 42 HB3 LYS 42 6.350 12.680 15.953 338 HG2 LYS 42 HG2 LYS 42 3.739 13.335 17.313 339 HG3 LYS 42 HG3 LYS 42 4.998 12.284 17.957 340 HD2 LYS 42 HD2 LYS 42 5.341 15.213 17.296 341 HD3 LYS 42 HD3 LYS 42 5.079 14.562 18.911 342 HE2 LYS 42 HE2 LYS 42 7.158 13.267 18.712 343 HE3 LYS 42 HE3 LYS 42 7.423 13.954 17.110 344 HZ1 LYS 42 HZ1 LYS 42 7.257 15.514 19.628 345 HZ2 LYS 42 HZ2 LYS 42 7.578 16.137 18.090 346 HZ3 LYS 42 HZ3 LYS 42 8.689 15.096 18.831 347 H ASN 43 H ASN 43 4.381 12.755 12.810 348 HA ASN 43 HA ASN 43 7.000 12.985 11.572 349 HB2 ASN 43 HB2 ASN 43 4.523 11.416 10.829 350 HB3 ASN 43 HB3 ASN 43 6.029 11.370 9.932 351 HD21 ASN 43 HD21 ASN 43 7.687 10.146 10.652 352 HD22 ASN 43 HD22 ASN 43 7.584 9.129 12.046 353 HA PRO 44 HA PRO 44 5.072 16.489 9.586 354 HB2 PRO 44 HB2 PRO 44 7.307 17.656 8.686 355 HB3 PRO 44 HB3 PRO 44 6.888 17.648 10.404 356 HG2 PRO 44 HG2 PRO 44 8.789 15.873 8.915 357 HG3 PRO 44 HG3 PRO 44 9.015 16.689 10.472 358 HD2 PRO 44 HD2 PRO 44 8.295 14.067 10.233 359 HD3 PRO 44 HD3 PRO 44 7.836 15.093 11.626 360 H SER 45 H SER 45 6.800 13.947 8.010 361 HA SER 45 HA SER 45 6.787 15.088 5.426 362 HB2 SER 45 HB2 SER 45 7.046 12.563 4.824 363 HB3 SER 45 HB3 SER 45 8.370 13.438 5.591 364 HG SER 45 HG SER 45 7.395 11.235 6.409 365 H GLU 46 H GLU 46 5.387 15.044 3.866 366 HA GLU 46 HA GLU 46 2.695 14.453 4.316 367 HB2 GLU 46 HB2 GLU 46 4.205 14.867 1.734 368 HB3 GLU 46 HB3 GLU 46 2.475 14.588 1.779 369 HG2 GLU 46 HG2 GLU 46 2.726 16.906 1.617 370 HG3 GLU 46 HG3 GLU 46 2.327 16.602 3.305 371 H GLU 47 H GLU 47 5.281 12.625 2.917 372 HA GLU 47 HA GLU 47 3.965 10.392 1.876 373 HB2 GLU 47 HB2 GLU 47 6.585 10.676 3.325 374 HB3 GLU 47 HB3 GLU 47 6.109 9.224 2.459 375 HG2 GLU 47 HG2 GLU 47 6.528 11.938 1.233 376 HG3 GLU 47 HG3 GLU 47 7.678 10.607 1.192 377 H ALA 48 H ALA 48 5.067 11.158 5.113 378 HA ALA 48 HA ALA 48 4.453 8.698 6.326 379 HB1 ALA 48 HB1 ALA 48 4.579 11.426 7.590 380 HB2 ALA 48 HB2 ALA 48 5.931 10.309 7.403 381 HB3 ALA 48 HB3 ALA 48 4.585 9.896 8.464 382 H ALA 49 H ALA 49 2.730 11.634 5.960 383 HA ALA 49 HA ALA 49 0.365 10.924 7.298 384 HB1 ALA 49 HB1 ALA 49 0.699 12.841 4.988 385 HB2 ALA 49 HB2 ALA 49 0.883 13.239 6.696 386 HB3 ALA 49 HB3 ALA 49 -0.693 12.760 6.067 387 H GLU 50 H GLU 50 1.398 10.549 3.962 388 HA GLU 50 HA GLU 50 -0.976 9.455 2.919 389 HB2 GLU 50 HB2 GLU 50 1.867 8.834 2.112 390 HB3 GLU 50 HB3 GLU 50 0.429 8.544 1.142 391 HG2 GLU 50 HG2 GLU 50 0.038 11.062 1.339 392 HG3 GLU 50 HG3 GLU 50 1.728 11.120 1.892 393 H LYS 51 H LYS 51 1.841 8.015 4.428 394 HA LYS 51 HA LYS 51 1.141 5.313 4.187 395 HB2 LYS 51 HB2 LYS 51 2.744 6.770 6.280 396 HB3 LYS 51 HB3 LYS 51 2.585 5.018 6.238 397 HG2 LYS 51 HG2 LYS 51 3.668 4.927 4.094 398 HG3 LYS 51 HG3 LYS 51 3.715 6.690 4.010 399 HD2 LYS 51 HD2 LYS 51 5.876 5.839 4.685 400 HD3 LYS 51 HD3 LYS 51 5.129 6.728 6.017 401 HE2 LYS 51 HE2 LYS 51 6.181 4.675 6.796 402 HE3 LYS 51 HE3 LYS 51 4.443 4.614 7.062 403 HZ1 LYS 51 HZ1 LYS 51 4.218 3.207 5.120 404 HZ2 LYS 51 HZ2 LYS 51 5.375 2.529 6.147 405 HZ3 LYS 51 HZ3 LYS 51 5.860 3.355 4.756 406 H PHE 52 H PHE 52 0.391 7.701 6.637 407 HA PHE 52 HA PHE 52 -0.981 6.081 8.450 408 HB2 PHE 52 HB2 PHE 52 -0.351 8.413 8.929 409 HB3 PHE 52 HB3 PHE 52 -1.494 8.980 7.710 410 HD1 PHE 52 HD1 PHE 52 -1.064 7.973 11.139 411 HD2 PHE 52 HD2 PHE 52 -3.961 8.592 8.082 412 HE1 PHE 52 HE1 PHE 52 -2.847 8.049 12.836 413 HE2 PHE 52 HE2 PHE 52 -5.744 8.660 9.766 414 HZ PHE 52 HZ PHE 52 -5.186 8.397 12.153 415 H LYS 53 H LYS 53 -2.169 7.951 5.667 416 HA LYS 53 HA LYS 53 -4.860 7.163 5.939 417 HB2 LYS 53 HB2 LYS 53 -3.342 8.324 3.624 418 HB3 LYS 53 HB3 LYS 53 -5.058 7.950 3.538 419 HG2 LYS 53 HG2 LYS 53 -3.836 9.789 5.582 420 HG3 LYS 53 HG3 LYS 53 -4.564 10.323 4.060 421 HD2 LYS 53 HD2 LYS 53 -6.686 9.266 4.726 422 HD3 LYS 53 HD3 LYS 53 -5.954 8.780 6.253 423 HE2 LYS 53 HE2 LYS 53 -5.612 11.121 6.838 424 HE3 LYS 53 HE3 LYS 53 -6.319 11.613 5.300 425 HZ1 LYS 53 HZ1 LYS 53 -7.890 11.712 7.187 426 HZ2 LYS 53 HZ2 LYS 53 -7.768 10.032 7.361 427 HZ3 LYS 53 HZ3 LYS 53 -8.406 10.690 5.946 428 H GLU 54 H GLU 54 -2.234 5.789 3.972 429 HA GLU 54 HA GLU 54 -3.900 3.935 2.651 430 HB2 GLU 54 HB2 GLU 54 -0.938 3.883 3.228 431 HB3 GLU 54 HB3 GLU 54 -1.760 2.682 2.238 432 HG2 GLU 54 HG2 GLU 54 -2.479 4.431 0.705 433 HG3 GLU 54 HG3 GLU 54 -1.657 5.632 1.695 434 H ALA 55 H ALA 55 -2.149 3.853 5.678 435 HA ALA 55 HA ALA 55 -2.636 1.118 6.281 436 HB1 ALA 55 HB1 ALA 55 -0.892 2.411 7.420 437 HB2 ALA 55 HB2 ALA 55 -2.036 1.728 8.575 438 HB3 ALA 55 HB3 ALA 55 -2.128 3.437 8.150 439 H SER 56 H SER 56 -4.311 4.133 6.890 440 HA SER 56 HA SER 56 -6.333 3.100 8.559 441 HB2 SER 56 HB2 SER 56 -6.292 5.576 6.815 442 HB3 SER 56 HB3 SER 56 -7.509 5.245 8.047 443 HG SER 56 HG SER 56 -4.733 5.659 8.409 444 H ALA 57 H ALA 57 -6.192 3.651 5.030 445 HA ALA 57 HA ALA 57 -8.841 2.793 4.487 446 HB1 ALA 57 HB1 ALA 57 -7.496 4.070 2.869 447 HB2 ALA 57 HB2 ALA 57 -8.083 2.563 2.166 448 HB3 ALA 57 HB3 ALA 57 -6.406 2.695 2.693 449 H ALA 58 H ALA 58 -5.801 1.162 4.718 450 HA ALA 58 HA ALA 58 -6.546 -1.414 3.881 451 HB1 ALA 58 HB1 ALA 58 -4.528 -0.730 6.018 452 HB2 ALA 58 HB2 ALA 58 -4.203 -0.657 4.293 453 HB3 ALA 58 HB3 ALA 58 -4.586 -2.203 5.049 454 H TYR 59 H TYR 59 -6.515 0.151 7.033 455 HA TYR 59 HA TYR 59 -7.569 -1.970 8.529 456 HB2 TYR 59 HB2 TYR 59 -6.470 -0.069 9.541 457 HB3 TYR 59 HB3 TYR 59 -7.728 1.017 8.967 458 HD1 TYR 59 HD1 TYR 59 -6.999 -1.790 11.262 459 HD2 TYR 59 HD2 TYR 59 -9.709 1.321 10.229 460 HE1 TYR 59 HE1 TYR 59 -8.208 -2.149 13.369 461 HE2 TYR 59 HE2 TYR 59 -10.925 0.967 12.333 462 HH TYR 59 HH TYR 59 -11.264 -0.828 13.960 463 H GLU 60 H GLU 60 -9.090 0.597 6.695 464 HA GLU 60 HA GLU 60 -11.665 0.337 7.669 465 HB2 GLU 60 HB2 GLU 60 -10.710 1.165 4.933 466 HB3 GLU 60 HB3 GLU 60 -12.377 1.312 5.466 467 HG2 GLU 60 HG2 GLU 60 -9.979 2.689 6.648 468 HG3 GLU 60 HG3 GLU 60 -11.246 3.425 5.667 469 H ILE 61 H ILE 61 -10.058 -1.420 5.054 470 HA ILE 61 HA ILE 61 -12.495 -3.032 4.627 471 HB ILE 61 HB ILE 61 -11.215 -4.114 2.799 472 HG12 ILE 61 HG12 ILE 61 -9.166 -1.952 3.315 473 HG13 ILE 61 HG13 ILE 61 -8.948 -3.658 3.689 474 HG21 ILE 61 HG21 ILE 61 -11.471 -1.111 2.653 475 HG22 ILE 61 HG22 ILE 61 -12.746 -2.288 2.335 476 HG23 ILE 61 HG23 ILE 61 -11.348 -2.190 1.263 477 HD11 ILE 61 HD11 ILE 61 -9.142 -4.199 1.324 478 HD12 ILE 61 HD12 ILE 61 -7.835 -3.056 1.628 479 HD13 ILE 61 HD13 ILE 61 -9.363 -2.491 0.951 480 H LEU 62 H LEU 62 -9.133 -3.541 5.506 481 HA LEU 62 HA LEU 62 -9.350 -6.280 5.890 482 HB2 LEU 62 HB2 LEU 62 -7.502 -4.247 7.045 483 HB3 LEU 62 HB3 LEU 62 -7.235 -5.990 7.206 484 HG LEU 62 HG LEU 62 -7.273 -4.353 4.667 485 HD11 LEU 62 HD11 LEU 62 -4.914 -5.040 4.495 486 HD12 LEU 62 HD12 LEU 62 -5.040 -5.787 6.088 487 HD13 LEU 62 HD13 LEU 62 -5.249 -4.044 5.910 488 HD21 LEU 62 HD21 LEU 62 -8.214 -6.501 4.159 489 HD22 LEU 62 HD22 LEU 62 -6.922 -7.327 5.031 490 HD23 LEU 62 HD23 LEU 62 -6.563 -6.454 3.542 491 H SER 63 H SER 63 -9.909 -3.648 8.219 492 HA SER 63 HA SER 63 -10.123 -5.327 10.508 493 HB2 SER 63 HB2 SER 63 -9.730 -2.870 10.641 494 HB3 SER 63 HB3 SER 63 -11.376 -2.601 10.082 495 HG SER 63 HG SER 63 -11.620 -4.248 12.078 496 H ASP 64 H ASP 64 -12.038 -5.117 7.843 497 HA ASP 64 HA ASP 64 -14.329 -6.225 9.281 498 HB2 ASP 64 HB2 ASP 64 -14.249 -4.369 6.939 499 HB3 ASP 64 HB3 ASP 64 -15.524 -5.579 7.004 500 HA PRO 65 HA PRO 65 -12.307 -9.739 7.365 501 HB2 PRO 65 HB2 PRO 65 -14.781 -10.930 8.517 502 HB3 PRO 65 HB3 PRO 65 -13.104 -11.493 8.617 503 HG2 PRO 65 HG2 PRO 65 -14.213 -10.280 10.663 504 HG3 PRO 65 HG3 PRO 65 -12.532 -9.893 10.227 505 HD2 PRO 65 HD2 PRO 65 -15.053 -8.347 9.770 506 HD3 PRO 65 HD3 PRO 65 -13.431 -7.751 10.167 507 H GLU 66 H GLU 66 -15.604 -8.749 6.926 508 HA GLU 66 HA GLU 66 -16.169 -10.601 4.792 509 HB2 GLU 66 HB2 GLU 66 -17.539 -8.050 5.663 510 HB3 GLU 66 HB3 GLU 66 -18.128 -9.075 4.364 511 HG2 GLU 66 HG2 GLU 66 -17.791 -9.915 7.231 512 HG3 GLU 66 HG3 GLU 66 -19.313 -9.476 6.457 513 H LYS 67 H LYS 67 -14.964 -7.371 5.126 514 HA LYS 67 HA LYS 67 -14.962 -6.790 2.325 515 HB2 LYS 67 HB2 LYS 67 -13.912 -5.500 4.831 516 HB3 LYS 67 HB3 LYS 67 -13.776 -4.739 3.229 517 HG2 LYS 67 HG2 LYS 67 -16.344 -5.469 4.656 518 HG3 LYS 67 HG3 LYS 67 -15.638 -3.855 4.594 519 HD2 LYS 67 HD2 LYS 67 -16.478 -5.427 2.156 520 HD3 LYS 67 HD3 LYS 67 -17.500 -4.240 2.967 521 HE2 LYS 67 HE2 LYS 67 -15.764 -2.531 2.580 522 HE3 LYS 67 HE3 LYS 67 -14.811 -3.723 1.703 523 HZ1 LYS 67 HZ1 LYS 67 -16.531 -3.890 0.062 524 HZ2 LYS 67 HZ2 LYS 67 -16.110 -2.266 0.249 525 HZ3 LYS 67 HZ3 LYS 67 -17.540 -2.850 0.930 526 H ARG 68 H ARG 68 -13.004 -8.112 4.787 527 HA ARG 68 HA ARG 68 -10.454 -7.791 3.622 528 HB2 ARG 68 HB2 ARG 68 -11.310 -8.323 6.082 529 HB3 ARG 68 HB3 ARG 68 -11.118 -9.977 5.536 530 HG2 ARG 68 HG2 ARG 68 -8.877 -8.050 5.200 531 HG3 ARG 68 HG3 ARG 68 -9.172 -8.786 6.771 532 HD2 ARG 68 HD2 ARG 68 -8.771 -10.300 4.198 533 HD3 ARG 68 HD3 ARG 68 -7.498 -9.965 5.369 534 HE ARG 68 HE ARG 68 -9.744 -11.273 6.550 535 HH11 ARG 68 HH11 ARG 68 -6.860 -11.778 4.649 536 HH12 ARG 68 HH12 ARG 68 -6.634 -13.409 5.174 537 HH21 ARG 68 HH21 ARG 68 -9.475 -13.438 7.250 538 HH22 ARG 68 HH22 ARG 68 -8.136 -14.365 6.674 539 H ASP 69 H ASP 69 -12.854 -10.424 3.790 540 HA ASP 69 HA ASP 69 -11.353 -12.332 2.330 541 HB2 ASP 69 HB2 ASP 69 -14.335 -12.042 2.747 542 HB3 ASP 69 HB3 ASP 69 -13.612 -13.389 1.879 543 H ILE 70 H ILE 70 -13.642 -9.874 1.486 544 HA ILE 70 HA ILE 70 -13.806 -10.408 -1.270 545 HB ILE 70 HB ILE 70 -14.184 -7.955 0.399 546 HG12 ILE 70 HG12 ILE 70 -15.848 -9.682 0.688 547 HG13 ILE 70 HG13 ILE 70 -16.567 -8.297 -0.123 548 HG21 ILE 70 HG21 ILE 70 -14.697 -8.214 -2.587 549 HG22 ILE 70 HG22 ILE 70 -13.475 -7.193 -1.831 550 HG23 ILE 70 HG23 ILE 70 -15.185 -6.843 -1.593 551 HD11 ILE 70 HD11 ILE 70 -16.357 -9.493 -2.270 552 HD12 ILE 70 HD12 ILE 70 -17.376 -10.333 -1.105 553 HD13 ILE 70 HD13 ILE 70 -15.732 -10.894 -1.400 554 H TYR 71 H TYR 71 -11.725 -8.218 0.630 555 HA TYR 71 HA TYR 71 -10.242 -7.234 -1.536 556 HB2 TYR 71 HB2 TYR 71 -10.098 -6.104 0.583 557 HB3 TYR 71 HB3 TYR 71 -9.437 -7.542 1.360 558 HD1 TYR 71 HD1 TYR 71 -8.706 -5.012 -1.270 559 HD2 TYR 71 HD2 TYR 71 -7.121 -7.912 1.409 560 HE1 TYR 71 HE1 TYR 71 -6.425 -4.294 -1.846 561 HE2 TYR 71 HE2 TYR 71 -4.842 -7.196 0.846 562 HH TYR 71 HH TYR 71 -3.822 -6.008 -1.395 563 H ASP 72 H ASP 72 -9.642 -9.998 0.544 564 HA ASP 72 HA ASP 72 -7.093 -10.688 -0.363 565 HB2 ASP 72 HB2 ASP 72 -8.110 -11.672 1.626 566 HB3 ASP 72 HB3 ASP 72 -9.305 -12.492 0.629 567 H GLN 73 H GLN 73 -10.241 -11.664 -1.565 568 HA GLN 73 HA GLN 73 -9.237 -13.572 -3.419 569 HB2 GLN 73 HB2 GLN 73 -11.941 -12.282 -3.130 570 HB3 GLN 73 HB3 GLN 73 -11.580 -13.547 -4.297 571 HG2 GLN 73 HG2 GLN 73 -11.022 -15.075 -2.507 572 HG3 GLN 73 HG3 GLN 73 -11.283 -13.797 -1.322 573 HE21 GLN 73 HE21 GLN 73 -13.353 -13.165 -0.839 574 HE22 GLN 73 HE22 GLN 73 -14.744 -14.104 -1.264 575 H PHE 74 H PHE 74 -10.229 -10.200 -3.670 576 HA PHE 74 HA PHE 74 -9.652 -10.321 -6.550 577 HB2 PHE 74 HB2 PHE 74 -11.354 -8.356 -5.023 578 HB3 PHE 74 HB3 PHE 74 -11.060 -8.315 -6.757 579 HD1 PHE 74 HD1 PHE 74 -13.034 -9.707 -4.109 580 HD2 PHE 74 HD2 PHE 74 -11.854 -10.256 -8.159 581 HE1 PHE 74 HE1 PHE 74 -14.933 -11.228 -4.451 582 HE2 PHE 74 HE2 PHE 74 -13.753 -11.774 -8.510 583 HZ PHE 74 HZ PHE 74 -15.298 -12.264 -6.656 584 H GLY 75 H GLY 75 -7.999 -9.521 -3.905 585 HA2 GLY 75 HA2 GLY 75 -6.566 -7.381 -5.360 586 HA3 GLY 75 HA3 GLY 75 -7.039 -7.113 -3.691 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -7.364 4.023 -15.808 2 H2 GLY 1 HT2 GLY 1 -6.451 4.874 -16.945 3 H3 GLY 1 HT3 GLY 1 -6.109 5.030 -15.296 4 HA2 GLY 1 HA3 GLY 1 -5.795 2.560 -16.893 5 HA3 GLY 1 HA2 GLY 1 -4.488 3.615 -16.372 6 H GLU 2 H GLU 2 -3.399 2.692 -14.793 7 HA GLU 2 HA GLU 2 -2.843 1.629 -12.878 8 HB2 GLU 2 HB2 GLU 2 -5.635 2.402 -12.035 9 HB3 GLU 2 HB3 GLU 2 -4.391 1.792 -10.957 10 HG2 GLU 2 HG2 GLU 2 -3.003 3.742 -11.479 11 HG3 GLU 2 HG3 GLU 2 -4.278 4.348 -12.534 12 H PHE 3 H PHE 3 -4.141 0.101 -15.049 13 HA PHE 3 HA PHE 3 -5.474 -2.037 -13.605 14 HB2 PHE 3 HB2 PHE 3 -4.669 -1.836 -16.520 15 HB3 PHE 3 HB3 PHE 3 -5.614 -3.142 -15.821 16 HD1 PHE 3 HD1 PHE 3 -5.684 0.143 -17.247 17 HD2 PHE 3 HD2 PHE 3 -7.881 -2.603 -14.857 18 HE1 PHE 3 HE1 PHE 3 -7.741 1.413 -17.690 19 HE2 PHE 3 HE2 PHE 3 -9.943 -1.339 -15.295 20 HZ PHE 3 HZ PHE 3 -9.876 0.672 -16.714 21 H GLY 4 H GLY 4 -2.653 -1.768 -15.744 22 HA2 GLY 4 HA2 GLY 4 -0.643 -2.842 -15.770 23 HA3 GLY 4 HA3 GLY 4 -0.764 -2.799 -14.021 24 H SER 5 H SER 5 -0.129 -4.713 -13.385 25 HA SER 5 HA SER 5 -1.743 -7.002 -14.097 26 HB2 SER 5 HB2 SER 5 1.269 -6.987 -14.428 27 HB3 SER 5 HB3 SER 5 0.258 -8.433 -14.491 28 HG SER 5 HG SER 5 -0.682 -6.471 -16.121 29 H MET 6 H MET 6 -1.156 -8.890 -12.630 30 HA MET 6 HA MET 6 -1.132 -7.904 -9.947 31 HB2 MET 6 HB2 MET 6 -1.186 -10.713 -11.058 32 HB3 MET 6 HB3 MET 6 -1.264 -10.344 -9.342 33 HG2 MET 6 HG2 MET 6 -3.338 -9.168 -9.641 34 HG3 MET 6 HG3 MET 6 -3.240 -9.369 -11.389 35 HE1 MET 6 HE1 MET 6 -3.998 -11.021 -7.950 36 HE2 MET 6 HE2 MET 6 -2.534 -11.888 -8.412 37 HE3 MET 6 HE3 MET 6 -4.078 -12.738 -8.347 38 H VAL 7 H VAL 7 0.997 -6.901 -10.112 39 HA VAL 7 HA VAL 7 3.197 -8.807 -9.678 40 HB VAL 7 HB VAL 7 4.721 -6.882 -9.981 41 HG11 VAL 7 HG11 VAL 7 4.330 -6.513 -12.383 42 HG12 VAL 7 HG12 VAL 7 2.730 -7.238 -12.215 43 HG13 VAL 7 HG13 VAL 7 4.174 -8.208 -11.923 44 HG21 VAL 7 HG21 VAL 7 2.208 -5.310 -10.567 45 HG22 VAL 7 HG22 VAL 7 3.858 -4.729 -10.790 46 HG23 VAL 7 HG23 VAL 7 3.265 -5.098 -9.170 47 H LYS 8 H LYS 8 1.085 -6.711 -8.159 48 HA LYS 8 HA LYS 8 2.809 -6.377 -5.815 49 HB2 LYS 8 HB2 LYS 8 1.306 -4.629 -5.083 50 HB3 LYS 8 HB3 LYS 8 1.782 -4.309 -6.742 51 HG2 LYS 8 HG2 LYS 8 -0.366 -5.200 -7.522 52 HG3 LYS 8 HG3 LYS 8 -0.840 -5.501 -5.851 53 HD2 LYS 8 HD2 LYS 8 -0.631 -3.096 -5.383 54 HD3 LYS 8 HD3 LYS 8 -0.208 -2.818 -7.073 55 HE2 LYS 8 HE2 LYS 8 -2.538 -2.324 -6.772 56 HE3 LYS 8 HE3 LYS 8 -2.388 -3.796 -7.729 57 HZ1 LYS 8 HZ1 LYS 8 -2.844 -5.095 -5.693 58 HZ2 LYS 8 HZ2 LYS 8 -4.099 -4.033 -6.061 59 HZ3 LYS 8 HZ3 LYS 8 -3.023 -3.649 -4.830 60 H GLU 9 H GLU 9 2.515 -7.963 -4.258 61 HA GLU 9 HA GLU 9 -0.254 -8.436 -3.509 62 HB2 GLU 9 HB2 GLU 9 0.461 -10.313 -4.956 63 HB3 GLU 9 HB3 GLU 9 1.821 -10.607 -3.880 64 HG2 GLU 9 HG2 GLU 9 0.214 -11.061 -2.048 65 HG3 GLU 9 HG3 GLU 9 -1.098 -10.878 -3.205 66 H THR 10 H THR 10 -0.554 -8.684 -1.348 67 HA THR 10 HA THR 10 -0.185 -8.869 0.843 68 HB THR 10 HB THR 10 2.727 -9.469 0.428 69 HG1 THR 10 HG1 THR 10 1.521 -10.733 -1.063 70 HG21 THR 10 HG21 THR 10 2.237 -11.030 2.312 71 HG22 THR 10 HG22 THR 10 0.597 -10.366 2.344 72 HG23 THR 10 HG23 THR 10 1.974 -9.328 2.704 73 H LYS 11 H LYS 11 0.924 -6.490 -0.960 74 HA LYS 11 HA LYS 11 2.845 -5.163 0.601 75 HB2 LYS 11 HB2 LYS 11 0.802 -4.037 -1.293 76 HB3 LYS 11 HB3 LYS 11 2.006 -3.046 -0.482 77 HG2 LYS 11 HG2 LYS 11 3.778 -4.378 -1.534 78 HG3 LYS 11 HG3 LYS 11 2.539 -5.323 -2.364 79 HD2 LYS 11 HD2 LYS 11 1.753 -3.324 -3.509 80 HD3 LYS 11 HD3 LYS 11 2.932 -2.343 -2.639 81 HE2 LYS 11 HE2 LYS 11 3.602 -4.595 -4.533 82 HE3 LYS 11 HE3 LYS 11 3.651 -2.881 -4.938 83 HZ1 LYS 11 HZ1 LYS 11 5.318 -4.255 -2.902 84 HZ2 LYS 11 HZ2 LYS 11 5.321 -2.592 -3.177 85 HZ3 LYS 11 HZ3 LYS 11 5.843 -3.644 -4.389 86 H PHE 12 H PHE 12 -0.667 -5.028 0.765 87 HA PHE 12 HA PHE 12 -0.548 -2.945 2.718 88 HB2 PHE 12 HB2 PHE 12 -2.817 -4.506 1.562 89 HB3 PHE 12 HB3 PHE 12 -3.056 -3.528 3.012 90 HD1 PHE 12 HD1 PHE 12 -1.678 -1.137 2.683 91 HD2 PHE 12 HD2 PHE 12 -3.590 -3.435 -0.336 92 HE1 PHE 12 HE1 PHE 12 -1.971 0.892 1.343 93 HE2 PHE 12 HE2 PHE 12 -3.881 -1.402 -1.694 94 HZ PHE 12 HZ PHE 12 -3.070 0.771 -0.840 95 H TYR 13 H TYR 13 -0.740 -6.416 2.826 96 HA TYR 13 HA TYR 13 -1.377 -6.547 5.613 97 HB2 TYR 13 HB2 TYR 13 0.042 -8.571 3.851 98 HB3 TYR 13 HB3 TYR 13 -0.460 -8.876 5.509 99 HD1 TYR 13 HD1 TYR 13 -1.332 -9.268 2.150 100 HD2 TYR 13 HD2 TYR 13 -3.072 -8.480 5.939 101 HE1 TYR 13 HE1 TYR 13 -3.482 -10.099 1.315 102 HE2 TYR 13 HE2 TYR 13 -5.239 -9.312 5.119 103 HH TYR 13 HH TYR 13 -5.539 -11.065 2.227 104 H ASP 14 H ASP 14 1.644 -6.752 3.763 105 HA ASP 14 HA ASP 14 3.405 -6.792 5.931 106 HB2 ASP 14 HB2 ASP 14 3.708 -6.002 3.084 107 HB3 ASP 14 HB3 ASP 14 5.019 -5.688 4.212 108 H ILE 15 H ILE 15 2.059 -4.025 4.237 109 HA ILE 15 HA ILE 15 3.613 -2.068 5.500 110 HB ILE 15 HB ILE 15 0.868 -2.012 4.319 111 HG12 ILE 15 HG12 ILE 15 3.413 -0.677 3.401 112 HG13 ILE 15 HG13 ILE 15 2.838 -2.266 2.844 113 HG21 ILE 15 HG21 ILE 15 0.837 -0.304 6.056 114 HG22 ILE 15 HG22 ILE 15 0.913 0.473 4.474 115 HG23 ILE 15 HG23 ILE 15 2.363 0.354 5.470 116 HD11 ILE 15 HD11 ILE 15 1.458 0.386 2.468 117 HD12 ILE 15 HD12 ILE 15 0.818 -1.177 1.964 118 HD13 ILE 15 HD13 ILE 15 2.295 -0.552 1.233 119 H LEU 16 H LEU 16 0.382 -3.274 6.432 120 HA LEU 16 HA LEU 16 0.431 -1.947 8.927 121 HB2 LEU 16 HB2 LEU 16 -1.193 -4.283 7.966 122 HB3 LEU 16 HB3 LEU 16 -1.398 -3.596 9.561 123 HG LEU 16 HG LEU 16 -1.874 -2.161 6.940 124 HD11 LEU 16 HD11 LEU 16 -3.814 -3.095 9.042 125 HD12 LEU 16 HD12 LEU 16 -3.523 -3.898 7.502 126 HD13 LEU 16 HD13 LEU 16 -4.203 -2.269 7.532 127 HD21 LEU 16 HD21 LEU 16 -1.082 -0.614 8.643 128 HD22 LEU 16 HD22 LEU 16 -2.260 -1.249 9.792 129 HD23 LEU 16 HD23 LEU 16 -2.806 -0.380 8.359 130 H GLY 17 H GLY 17 1.770 -4.992 7.907 131 HA2 GLY 17 HA2 GLY 17 3.486 -6.095 9.075 132 HA3 GLY 17 HA3 GLY 17 2.981 -5.289 10.553 133 H VAL 18 H VAL 18 0.496 -6.480 8.732 134 HA VAL 18 HA VAL 18 0.023 -8.657 10.637 135 HB VAL 18 HB VAL 18 -2.282 -8.714 9.699 136 HG11 VAL 18 HG11 VAL 18 -3.020 -6.602 10.652 137 HG12 VAL 18 HG12 VAL 18 -1.364 -5.999 10.605 138 HG13 VAL 18 HG13 VAL 18 -1.778 -7.359 11.651 139 HG21 VAL 18 HG21 VAL 18 -1.782 -7.913 7.447 140 HG22 VAL 18 HG22 VAL 18 -1.362 -6.329 8.095 141 HG23 VAL 18 HG23 VAL 18 -3.023 -6.916 8.209 142 HA PRO 19 HA PRO 19 0.866 -11.858 7.649 143 HB2 PRO 19 HB2 PRO 19 -0.993 -13.715 8.257 144 HB3 PRO 19 HB3 PRO 19 0.339 -13.354 9.366 145 HG2 PRO 19 HG2 PRO 19 -2.462 -12.276 9.379 146 HG3 PRO 19 HG3 PRO 19 -1.576 -13.039 10.712 147 HD2 PRO 19 HD2 PRO 19 -1.711 -10.379 10.521 148 HD3 PRO 19 HD3 PRO 19 -0.182 -11.153 10.992 149 H VAL 20 H VAL 20 -0.223 -13.129 5.829 150 HA VAL 20 HA VAL 20 -2.013 -11.526 4.330 151 HB VAL 20 HB VAL 20 -1.363 -14.492 4.069 152 HG11 VAL 20 HG11 VAL 20 -2.057 -14.270 1.745 153 HG12 VAL 20 HG12 VAL 20 -2.471 -12.579 2.022 154 HG13 VAL 20 HG13 VAL 20 -3.371 -13.851 2.844 155 HG21 VAL 20 HG21 VAL 20 0.295 -13.836 2.407 156 HG22 VAL 20 HG22 VAL 20 0.656 -13.125 3.981 157 HG23 VAL 20 HG23 VAL 20 -0.066 -12.139 2.711 158 H THR 21 H THR 21 -2.180 -13.982 6.675 159 HA THR 21 HA THR 21 -4.972 -14.704 6.384 160 HB THR 21 HB THR 21 -4.240 -15.911 8.638 161 HG1 THR 21 HG1 THR 21 -2.185 -15.807 9.043 162 HG21 THR 21 HG21 THR 21 -4.876 -17.078 6.570 163 HG22 THR 21 HG22 THR 21 -3.447 -17.824 7.287 164 HG23 THR 21 HG23 THR 21 -3.280 -16.758 5.892 165 H ALA 22 H ALA 22 -3.998 -11.914 7.229 166 HA ALA 22 HA ALA 22 -4.318 -11.491 9.945 167 HB1 ALA 22 HB1 ALA 22 -4.922 -9.544 7.743 168 HB2 ALA 22 HB2 ALA 22 -3.312 -9.914 8.356 169 HB3 ALA 22 HB3 ALA 22 -4.510 -9.167 9.415 170 H THR 23 H THR 23 -5.904 -10.884 11.226 171 HA THR 23 HA THR 23 -8.667 -11.043 10.231 172 HB THR 23 HB THR 23 -9.269 -11.518 12.614 173 HG1 THR 23 HG1 THR 23 -6.430 -11.707 12.939 174 HG21 THR 23 HG21 THR 23 -7.233 -13.408 11.419 175 HG22 THR 23 HG22 THR 23 -8.956 -13.376 11.046 176 HG23 THR 23 HG23 THR 23 -8.413 -13.824 12.663 177 H ASP 24 H ASP 24 -10.194 -9.610 11.600 178 HA ASP 24 HA ASP 24 -9.577 -6.936 11.154 179 HB2 ASP 24 HB2 ASP 24 -11.574 -8.065 13.123 180 HB3 ASP 24 HB3 ASP 24 -11.476 -6.377 12.632 181 H VAL 25 H VAL 25 -9.118 -8.838 14.119 182 HA VAL 25 HA VAL 25 -8.699 -6.617 15.816 183 HB VAL 25 HB VAL 25 -7.891 -9.520 16.062 184 HG11 VAL 25 HG11 VAL 25 -7.501 -9.074 18.448 185 HG12 VAL 25 HG12 VAL 25 -7.786 -7.356 18.167 186 HG13 VAL 25 HG13 VAL 25 -6.400 -8.153 17.423 187 HG21 VAL 25 HG21 VAL 25 -10.294 -9.159 16.042 188 HG22 VAL 25 HG22 VAL 25 -10.143 -7.957 17.325 189 HG23 VAL 25 HG23 VAL 25 -9.760 -9.648 17.650 190 H GLU 26 H GLU 26 -6.588 -8.734 13.968 191 HA GLU 26 HA GLU 26 -4.105 -7.687 14.913 192 HB2 GLU 26 HB2 GLU 26 -4.850 -9.185 12.396 193 HB3 GLU 26 HB3 GLU 26 -3.196 -8.819 12.873 194 HG2 GLU 26 HG2 GLU 26 -3.360 -10.218 14.784 195 HG3 GLU 26 HG3 GLU 26 -5.098 -10.425 14.554 196 H ILE 27 H ILE 27 -6.207 -7.102 12.246 197 HA ILE 27 HA ILE 27 -4.648 -5.291 10.795 198 HB ILE 27 HB ILE 27 -7.617 -5.799 10.909 199 HG12 ILE 27 HG12 ILE 27 -5.594 -6.378 8.735 200 HG13 ILE 27 HG13 ILE 27 -6.024 -7.524 9.998 201 HG21 ILE 27 HG21 ILE 27 -7.823 -4.441 8.855 202 HG22 ILE 27 HG22 ILE 27 -6.130 -3.968 9.002 203 HG23 ILE 27 HG23 ILE 27 -7.296 -3.465 10.226 204 HD11 ILE 27 HD11 ILE 27 -7.951 -6.349 8.014 205 HD12 ILE 27 HD12 ILE 27 -8.292 -7.603 9.207 206 HD13 ILE 27 HD13 ILE 27 -7.183 -7.929 7.874 207 H LYS 28 H LYS 28 -7.146 -4.748 13.291 208 HA LYS 28 HA LYS 28 -7.021 -1.932 13.084 209 HB2 LYS 28 HB2 LYS 28 -8.008 -3.708 15.287 210 HB3 LYS 28 HB3 LYS 28 -8.125 -1.955 15.323 211 HG2 LYS 28 HG2 LYS 28 -9.468 -2.013 13.296 212 HG3 LYS 28 HG3 LYS 28 -9.374 -3.780 13.292 213 HD2 LYS 28 HD2 LYS 28 -10.412 -3.801 15.495 214 HD3 LYS 28 HD3 LYS 28 -10.510 -2.036 15.432 215 HE2 LYS 28 HE2 LYS 28 -11.941 -2.171 13.456 216 HE3 LYS 28 HE3 LYS 28 -11.826 -3.930 13.483 217 HZ1 LYS 28 HZ1 LYS 28 -13.871 -3.315 14.468 218 HZ2 LYS 28 HZ2 LYS 28 -13.141 -2.185 15.478 219 HZ3 LYS 28 HZ3 LYS 28 -12.872 -3.831 15.727 220 H LYS 29 H LYS 29 -5.357 -4.253 15.180 221 HA LYS 29 HA LYS 29 -4.160 -2.221 16.770 222 HB2 LYS 29 HB2 LYS 29 -2.689 -3.983 17.630 223 HB3 LYS 29 HB3 LYS 29 -4.343 -4.572 17.557 224 HG2 LYS 29 HG2 LYS 29 -3.764 -5.648 15.381 225 HG3 LYS 29 HG3 LYS 29 -2.094 -5.228 15.658 226 HD2 LYS 29 HD2 LYS 29 -3.792 -6.936 17.481 227 HD3 LYS 29 HD3 LYS 29 -2.609 -7.544 16.326 228 HE2 LYS 29 HE2 LYS 29 -0.847 -6.314 17.534 229 HE3 LYS 29 HE3 LYS 29 -2.053 -5.789 18.709 230 HZ1 LYS 29 HZ1 LYS 29 -0.850 -7.709 19.523 231 HZ2 LYS 29 HZ2 LYS 29 -1.271 -8.597 18.156 232 HZ3 LYS 29 HZ3 LYS 29 -2.464 -8.123 19.248 233 H ALA 30 H ALA 30 -3.146 -3.958 13.897 234 HA ALA 30 HA ALA 30 -0.658 -2.780 13.632 235 HB1 ALA 30 HB1 ALA 30 -2.497 -3.654 11.424 236 HB2 ALA 30 HB2 ALA 30 -1.466 -4.732 12.366 237 HB3 ALA 30 HB3 ALA 30 -0.741 -3.483 11.354 238 H TYR 31 H TYR 31 -3.879 -1.746 12.541 239 HA TYR 31 HA TYR 31 -2.976 0.524 11.156 240 HB2 TYR 31 HB2 TYR 31 -5.188 -0.254 10.709 241 HB3 TYR 31 HB3 TYR 31 -5.638 -0.138 12.412 242 HD1 TYR 31 HD1 TYR 31 -4.524 1.980 9.541 243 HD2 TYR 31 HD2 TYR 31 -6.706 1.774 13.188 244 HE1 TYR 31 HE1 TYR 31 -5.345 4.272 9.178 245 HE2 TYR 31 HE2 TYR 31 -7.533 4.060 12.832 246 HH TYR 31 HH TYR 31 -6.847 6.087 11.606 247 H ARG 32 H ARG 32 -4.264 0.103 14.463 248 HA ARG 32 HA ARG 32 -3.958 2.790 15.128 249 HB2 ARG 32 HB2 ARG 32 -4.357 2.218 17.401 250 HB3 ARG 32 HB3 ARG 32 -5.335 1.149 16.417 251 HG2 ARG 32 HG2 ARG 32 -4.542 -0.364 17.902 252 HG3 ARG 32 HG3 ARG 32 -3.220 -0.431 16.732 253 HD2 ARG 32 HD2 ARG 32 -1.964 1.197 18.073 254 HD3 ARG 32 HD3 ARG 32 -3.283 1.247 19.240 255 HE ARG 32 HE ARG 32 -2.397 -1.405 18.874 256 HH11 ARG 32 HH11 ARG 32 -1.525 1.596 20.456 257 HH12 ARG 32 HH12 ARG 32 -0.545 0.835 21.655 258 HH21 ARG 32 HH21 ARG 32 -1.095 -2.422 20.466 259 HH22 ARG 32 HH22 ARG 32 -0.295 -1.461 21.656 260 H LYS 33 H LYS 33 -1.640 0.156 15.270 261 HA LYS 33 HA LYS 33 0.334 1.779 16.629 262 HB2 LYS 33 HB2 LYS 33 1.777 -0.063 16.517 263 HB3 LYS 33 HB3 LYS 33 0.188 -0.784 16.692 264 HG2 LYS 33 HG2 LYS 33 0.207 -1.014 14.150 265 HG3 LYS 33 HG3 LYS 33 1.929 -0.639 14.268 266 HD2 LYS 33 HD2 LYS 33 0.535 -2.921 15.677 267 HD3 LYS 33 HD3 LYS 33 1.507 -3.066 14.214 268 HE2 LYS 33 HE2 LYS 33 3.443 -2.197 15.455 269 HE3 LYS 33 HE3 LYS 33 2.441 -2.128 16.906 270 HZ1 LYS 33 HZ1 LYS 33 3.809 -4.123 16.835 271 HZ2 LYS 33 HZ2 LYS 33 3.074 -4.598 15.391 272 HZ3 LYS 33 HZ3 LYS 33 2.161 -4.500 16.810 273 H CYS 34 H CYS 34 -0.101 0.779 13.248 274 HA CYS 34 HA CYS 34 2.235 2.094 12.378 275 HB2 CYS 34 HB2 CYS 34 -0.293 1.349 10.912 276 HB3 CYS 34 HB3 CYS 34 1.111 2.052 10.111 277 HG CYS 34 HG CYS 34 0.634 -1.058 11.283 278 H ALA 35 H ALA 35 -1.131 3.201 12.561 279 HA ALA 35 HA ALA 35 -0.676 5.741 11.431 280 HB1 ALA 35 HB1 ALA 35 -2.841 6.343 12.381 281 HB2 ALA 35 HB2 ALA 35 -2.815 4.893 13.381 282 HB3 ALA 35 HB3 ALA 35 -2.902 4.752 11.626 283 H LEU 36 H LEU 36 -0.844 4.702 14.794 284 HA LEU 36 HA LEU 36 -0.305 7.279 15.850 285 HB2 LEU 36 HB2 LEU 36 -0.107 4.576 17.132 286 HB3 LEU 36 HB3 LEU 36 0.234 6.063 17.991 287 HG LEU 36 HG LEU 36 -2.413 5.400 16.699 288 HD11 LEU 36 HD11 LEU 36 -1.976 3.920 18.575 289 HD12 LEU 36 HD12 LEU 36 -3.237 5.084 18.978 290 HD13 LEU 36 HD13 LEU 36 -1.601 5.307 19.598 291 HD21 LEU 36 HD21 LEU 36 -3.236 7.320 18.004 292 HD22 LEU 36 HD22 LEU 36 -2.020 7.791 16.819 293 HD23 LEU 36 HD23 LEU 36 -1.585 7.658 18.524 294 H LYS 37 H LYS 37 1.829 4.628 15.039 295 HA LYS 37 HA LYS 37 4.135 5.713 16.236 296 HB2 LYS 37 HB2 LYS 37 3.747 3.731 14.007 297 HB3 LYS 37 HB3 LYS 37 5.346 4.183 14.606 298 HG2 LYS 37 HG2 LYS 37 4.855 3.287 16.772 299 HG3 LYS 37 HG3 LYS 37 3.158 3.062 16.349 300 HD2 LYS 37 HD2 LYS 37 4.306 0.953 16.270 301 HD3 LYS 37 HD3 LYS 37 3.838 1.433 14.642 302 HE2 LYS 37 HE2 LYS 37 6.114 2.258 14.226 303 HE3 LYS 37 HE3 LYS 37 6.584 1.791 15.858 304 HZ1 LYS 37 HZ1 LYS 37 7.284 0.142 14.281 305 HZ2 LYS 37 HZ2 LYS 37 5.717 -0.032 13.685 306 HZ3 LYS 37 HZ3 LYS 37 6.077 -0.515 15.266 307 H TYR 38 H TYR 38 2.861 6.083 12.914 308 HA TYR 38 HA TYR 38 4.955 8.129 12.462 309 HB2 TYR 38 HB2 TYR 38 3.674 6.206 10.537 310 HB3 TYR 38 HB3 TYR 38 4.702 7.538 10.017 311 HD1 TYR 38 HD1 TYR 38 4.592 4.275 11.675 312 HD2 TYR 38 HD2 TYR 38 7.106 7.493 10.482 313 HE1 TYR 38 HE1 TYR 38 6.569 2.863 12.047 314 HE2 TYR 38 HE2 TYR 38 9.089 6.085 10.848 315 HH TYR 38 HH TYR 38 9.718 4.095 12.166 316 H HIS 39 H HIS 39 2.066 8.400 13.417 317 HA HIS 39 HA HIS 39 0.563 9.776 11.490 318 HB2 HIS 39 HB2 HIS 39 -0.633 10.807 13.402 319 HB3 HIS 39 HB3 HIS 39 -0.443 9.066 13.582 320 HD2 HIS 39 HD2 HIS 39 2.834 9.851 14.737 321 HE1 HIS 39 HE1 HIS 39 0.489 10.909 18.092 322 HE2 HIS 39 HE2 HIS 39 2.646 9.937 17.302 323 HA PRO 40 HA PRO 40 2.636 13.645 10.880 324 HB2 PRO 40 HB2 PRO 40 0.462 15.228 10.348 325 HB3 PRO 40 HB3 PRO 40 1.162 14.102 9.177 326 HG2 PRO 40 HG2 PRO 40 -1.206 13.733 10.979 327 HG3 PRO 40 HG3 PRO 40 -1.032 13.314 9.263 328 HD2 PRO 40 HD2 PRO 40 -0.815 11.453 11.169 329 HD3 PRO 40 HD3 PRO 40 0.222 11.414 9.725 330 H ASP 41 H ASP 41 0.273 13.147 13.296 331 HA ASP 41 HA ASP 41 0.176 15.684 14.526 332 HB2 ASP 41 HB2 ASP 41 -0.288 12.932 15.679 333 HB3 ASP 41 HB3 ASP 41 -0.628 14.430 16.537 334 H LYS 42 H LYS 42 2.608 13.273 14.543 335 HA LYS 42 HA LYS 42 4.121 14.813 16.488 336 HB2 LYS 42 HB2 LYS 42 3.715 11.835 16.648 337 HB3 LYS 42 HB3 LYS 42 5.032 12.653 17.458 338 HG2 LYS 42 HG2 LYS 42 3.391 13.988 18.705 339 HG3 LYS 42 HG3 LYS 42 2.100 13.064 17.936 340 HD2 LYS 42 HD2 LYS 42 2.999 11.000 18.857 341 HD3 LYS 42 HD3 LYS 42 4.312 11.896 19.613 342 HE2 LYS 42 HE2 LYS 42 2.692 13.113 20.978 343 HE3 LYS 42 HE3 LYS 42 1.378 12.212 20.220 344 HZ1 LYS 42 HZ1 LYS 42 3.577 11.045 21.832 345 HZ2 LYS 42 HZ2 LYS 42 2.321 10.174 21.113 346 HZ3 LYS 42 HZ3 LYS 42 1.985 11.271 22.354 347 H ASN 43 H ASN 43 3.934 12.744 13.756 348 HA ASN 43 HA ASN 43 6.815 12.892 13.343 349 HB2 ASN 43 HB2 ASN 43 4.681 11.223 12.003 350 HB3 ASN 43 HB3 ASN 43 6.391 11.161 11.615 351 HD21 ASN 43 HD21 ASN 43 7.716 9.935 12.822 352 HD22 ASN 43 HD22 ASN 43 7.201 9.010 14.189 353 HA PRO 44 HA PRO 44 5.453 16.186 10.556 354 HB2 PRO 44 HB2 PRO 44 7.798 17.458 10.403 355 HB3 PRO 44 HB3 PRO 44 6.792 17.550 11.854 356 HG2 PRO 44 HG2 PRO 44 9.192 15.838 11.326 357 HG3 PRO 44 HG3 PRO 44 8.791 16.782 12.773 358 HD2 PRO 44 HD2 PRO 44 8.357 14.094 12.550 359 HD3 PRO 44 HD3 PRO 44 7.372 15.173 13.586 360 H SER 45 H SER 45 7.712 13.686 10.099 361 HA SER 45 HA SER 45 8.827 14.425 7.617 362 HB2 SER 45 HB2 SER 45 8.340 11.615 8.394 363 HB3 SER 45 HB3 SER 45 9.717 12.305 7.556 364 HG SER 45 HG SER 45 10.637 12.826 9.375 365 H GLU 46 H GLU 46 8.205 14.159 5.680 366 HA GLU 46 HA GLU 46 5.514 13.865 4.987 367 HB2 GLU 46 HB2 GLU 46 8.020 13.728 3.312 368 HB3 GLU 46 HB3 GLU 46 6.400 13.708 2.627 369 HG2 GLU 46 HG2 GLU 46 7.579 15.913 4.296 370 HG3 GLU 46 HG3 GLU 46 7.381 15.929 2.544 371 H GLU 47 H GLU 47 8.220 11.667 4.850 372 HA GLU 47 HA GLU 47 7.076 9.455 3.555 373 HB2 GLU 47 HB2 GLU 47 9.140 9.683 5.733 374 HB3 GLU 47 HB3 GLU 47 8.816 8.192 4.864 375 HG2 GLU 47 HG2 GLU 47 9.709 10.713 3.493 376 HG3 GLU 47 HG3 GLU 47 10.838 9.523 4.132 377 H ALA 48 H ALA 48 7.215 10.403 6.891 378 HA ALA 48 HA ALA 48 6.031 8.094 8.006 379 HB1 ALA 48 HB1 ALA 48 6.066 10.897 9.111 380 HB2 ALA 48 HB2 ALA 48 7.311 9.675 9.365 381 HB3 ALA 48 HB3 ALA 48 5.694 9.437 10.025 382 H ALA 49 H ALA 49 4.812 11.125 7.021 383 HA ALA 49 HA ALA 49 2.109 10.732 7.675 384 HB1 ALA 49 HB1 ALA 49 3.081 12.935 7.170 385 HB2 ALA 49 HB2 ALA 49 1.644 12.603 6.205 386 HB3 ALA 49 HB3 ALA 49 3.245 12.461 5.480 387 H GLU 50 H GLU 50 3.976 10.086 4.760 388 HA GLU 50 HA GLU 50 1.847 9.178 3.165 389 HB2 GLU 50 HB2 GLU 50 4.737 8.304 3.086 390 HB3 GLU 50 HB3 GLU 50 3.557 8.090 1.798 391 HG2 GLU 50 HG2 GLU 50 3.334 10.697 2.049 392 HG3 GLU 50 HG3 GLU 50 4.970 10.516 2.732 393 H LYS 51 H LYS 51 3.960 7.548 5.421 394 HA LYS 51 HA LYS 51 3.079 4.906 5.037 395 HB2 LYS 51 HB2 LYS 51 4.140 6.320 7.467 396 HB3 LYS 51 HB3 LYS 51 3.801 4.593 7.430 397 HG2 LYS 51 HG2 LYS 51 5.427 4.280 5.684 398 HG3 LYS 51 HG3 LYS 51 5.722 6.020 5.619 399 HD2 LYS 51 HD2 LYS 51 7.442 4.882 6.911 400 HD3 LYS 51 HD3 LYS 51 6.496 5.985 7.921 401 HE2 LYS 51 HE2 LYS 51 6.916 3.852 9.044 402 HE3 LYS 51 HE3 LYS 51 5.198 4.113 8.798 403 HZ1 LYS 51 HZ1 LYS 51 6.954 2.374 7.117 404 HZ2 LYS 51 HZ2 LYS 51 5.309 2.633 6.857 405 HZ3 LYS 51 HZ3 LYS 51 5.823 1.843 8.256 406 H PHE 52 H PHE 52 1.908 7.470 7.111 407 HA PHE 52 HA PHE 52 -0.113 6.095 8.461 408 HB2 PHE 52 HB2 PHE 52 0.546 8.392 9.052 409 HB3 PHE 52 HB3 PHE 52 -0.114 8.979 7.525 410 HD1 PHE 52 HD1 PHE 52 -0.879 7.992 10.925 411 HD2 PHE 52 HD2 PHE 52 -2.576 8.908 7.130 412 HE1 PHE 52 HE1 PHE 52 -3.091 8.266 11.973 413 HE2 PHE 52 HE2 PHE 52 -4.785 9.170 8.166 414 HZ PHE 52 HZ PHE 52 -5.043 8.857 10.597 415 H LYS 53 H LYS 53 -0.174 7.813 5.370 416 HA LYS 53 HA LYS 53 -2.891 7.379 4.800 417 HB2 LYS 53 HB2 LYS 53 -0.560 7.865 2.946 418 HB3 LYS 53 HB3 LYS 53 -2.245 7.890 2.446 419 HG2 LYS 53 HG2 LYS 53 -1.020 9.718 4.503 420 HG3 LYS 53 HG3 LYS 53 -1.333 10.138 2.816 421 HD2 LYS 53 HD2 LYS 53 -3.731 9.745 3.178 422 HD3 LYS 53 HD3 LYS 53 -3.407 9.348 4.866 423 HE2 LYS 53 HE2 LYS 53 -2.521 11.601 5.221 424 HE3 LYS 53 HE3 LYS 53 -2.846 11.996 3.535 425 HZ1 LYS 53 HZ1 LYS 53 -5.181 11.727 3.926 426 HZ2 LYS 53 HZ2 LYS 53 -4.560 12.803 5.072 427 HZ3 LYS 53 HZ3 LYS 53 -4.915 11.216 5.514 428 H GLU 54 H GLU 54 0.012 5.470 4.013 429 HA GLU 54 HA GLU 54 -1.314 3.544 2.425 430 HB2 GLU 54 HB2 GLU 54 1.198 3.357 4.076 431 HB3 GLU 54 HB3 GLU 54 0.635 2.082 3.007 432 HG2 GLU 54 HG2 GLU 54 0.790 3.596 1.116 433 HG3 GLU 54 HG3 GLU 54 1.357 4.871 2.193 434 H ALA 55 H ALA 55 -0.692 3.787 5.871 435 HA ALA 55 HA ALA 55 -1.635 1.206 6.580 436 HB1 ALA 55 HB1 ALA 55 -1.532 3.734 8.234 437 HB2 ALA 55 HB2 ALA 55 -0.237 2.547 8.086 438 HB3 ALA 55 HB3 ALA 55 -1.758 2.101 8.859 439 H SER 56 H SER 56 -3.075 4.354 6.244 440 HA SER 56 HA SER 56 -5.634 3.724 7.227 441 HB2 SER 56 HB2 SER 56 -4.733 5.874 5.299 442 HB3 SER 56 HB3 SER 56 -6.320 5.823 6.062 443 HG SER 56 HG SER 56 -3.795 6.153 7.294 444 H ALA 57 H ALA 57 -4.273 3.719 3.914 445 HA ALA 57 HA ALA 57 -6.687 2.964 2.618 446 HB1 ALA 57 HB1 ALA 57 -5.268 2.385 0.711 447 HB2 ALA 57 HB2 ALA 57 -3.837 2.473 1.736 448 HB3 ALA 57 HB3 ALA 57 -4.775 3.929 1.406 449 H ALA 58 H ALA 58 -4.053 1.168 3.983 450 HA ALA 58 HA ALA 58 -4.778 -1.423 3.200 451 HB1 ALA 58 HB1 ALA 58 -3.455 -0.652 5.800 452 HB2 ALA 58 HB2 ALA 58 -2.607 -0.757 4.265 453 HB3 ALA 58 HB3 ALA 58 -3.341 -2.201 4.962 454 H TYR 59 H TYR 59 -5.561 0.519 6.020 455 HA TYR 59 HA TYR 59 -7.210 -1.356 7.306 456 HB2 TYR 59 HB2 TYR 59 -6.205 0.663 8.330 457 HB3 TYR 59 HB3 TYR 59 -7.359 1.655 7.452 458 HD1 TYR 59 HD1 TYR 59 -7.123 -1.120 9.893 459 HD2 TYR 59 HD2 TYR 59 -9.435 2.132 8.436 460 HE1 TYR 59 HE1 TYR 59 -8.661 -1.392 11.768 461 HE2 TYR 59 HE2 TYR 59 -10.996 1.869 10.319 462 HH TYR 59 HH TYR 59 -11.698 0.080 11.887 463 H GLU 60 H GLU 60 -7.837 1.057 4.851 464 HA GLU 60 HA GLU 60 -10.598 1.129 4.966 465 HB2 GLU 60 HB2 GLU 60 -8.762 1.415 2.589 466 HB3 GLU 60 HB3 GLU 60 -10.483 1.756 2.529 467 HG2 GLU 60 HG2 GLU 60 -8.432 3.167 4.216 468 HG3 GLU 60 HG3 GLU 60 -9.207 3.792 2.762 469 H ILE 61 H ILE 61 -8.464 -1.092 3.234 470 HA ILE 61 HA ILE 61 -10.809 -2.587 2.270 471 HB ILE 61 HB ILE 61 -9.106 -4.015 1.093 472 HG12 ILE 61 HG12 ILE 61 -7.214 -1.798 1.905 473 HG13 ILE 61 HG13 ILE 61 -7.184 -3.438 2.542 474 HG21 ILE 61 HG21 ILE 61 -9.172 -1.069 0.446 475 HG22 ILE 61 HG22 ILE 61 -10.348 -2.281 -0.064 476 HG23 ILE 61 HG23 ILE 61 -8.694 -2.347 -0.671 477 HD11 ILE 61 HD11 ILE 61 -6.668 -4.296 0.335 478 HD12 ILE 61 HD12 ILE 61 -5.485 -3.094 0.849 479 HD13 ILE 61 HD13 ILE 61 -6.731 -2.661 -0.322 480 H LEU 62 H LEU 62 -7.919 -3.197 4.175 481 HA LEU 62 HA LEU 62 -8.494 -5.835 4.772 482 HB2 LEU 62 HB2 LEU 62 -6.858 -3.783 6.179 483 HB3 LEU 62 HB3 LEU 62 -6.810 -5.505 6.594 484 HG LEU 62 HG LEU 62 -6.005 -4.206 3.989 485 HD11 LEU 62 HD11 LEU 62 -4.367 -3.875 5.701 486 HD12 LEU 62 HD12 LEU 62 -3.766 -5.065 4.547 487 HD13 LEU 62 HD13 LEU 62 -4.386 -5.588 6.113 488 HD21 LEU 62 HD21 LEU 62 -5.252 -6.456 3.303 489 HD22 LEU 62 HD22 LEU 62 -7.000 -6.336 3.487 490 HD23 LEU 62 HD23 LEU 62 -6.034 -7.126 4.735 491 H SER 63 H SER 63 -9.460 -2.891 6.544 492 HA SER 63 HA SER 63 -10.432 -4.243 8.856 493 HB2 SER 63 HB2 SER 63 -9.946 -1.801 8.781 494 HB3 SER 63 HB3 SER 63 -11.330 -1.574 7.722 495 HG SER 63 HG SER 63 -12.171 -2.947 9.832 496 H ASP 64 H ASP 64 -11.519 -4.362 5.714 497 HA ASP 64 HA ASP 64 -14.198 -5.165 6.594 498 HB2 ASP 64 HB2 ASP 64 -13.403 -3.910 3.956 499 HB3 ASP 64 HB3 ASP 64 -14.929 -4.746 4.196 500 HA PRO 65 HA PRO 65 -12.200 -9.070 5.719 501 HB2 PRO 65 HB2 PRO 65 -15.053 -9.897 5.975 502 HB3 PRO 65 HB3 PRO 65 -13.608 -10.571 6.747 503 HG2 PRO 65 HG2 PRO 65 -15.260 -9.024 8.097 504 HG3 PRO 65 HG3 PRO 65 -13.500 -8.864 8.338 505 HD2 PRO 65 HD2 PRO 65 -15.425 -7.140 6.832 506 HD3 PRO 65 HD3 PRO 65 -14.003 -6.665 7.778 507 H GLU 66 H GLU 66 -14.965 -7.784 4.128 508 HA GLU 66 HA GLU 66 -15.029 -9.776 2.031 509 HB2 GLU 66 HB2 GLU 66 -16.701 -8.182 1.006 510 HB3 GLU 66 HB3 GLU 66 -17.141 -8.833 2.580 511 HG2 GLU 66 HG2 GLU 66 -16.411 -6.768 3.647 512 HG3 GLU 66 HG3 GLU 66 -15.954 -6.113 2.072 513 H LYS 67 H LYS 67 -13.709 -6.602 2.572 514 HA LYS 67 HA LYS 67 -12.893 -6.262 -0.148 515 HB2 LYS 67 HB2 LYS 67 -12.504 -4.787 2.432 516 HB3 LYS 67 HB3 LYS 67 -11.828 -4.209 0.889 517 HG2 LYS 67 HG2 LYS 67 -14.748 -4.588 1.574 518 HG3 LYS 67 HG3 LYS 67 -13.897 -3.048 1.483 519 HD2 LYS 67 HD2 LYS 67 -13.414 -3.520 -0.912 520 HD3 LYS 67 HD3 LYS 67 -14.411 -4.970 -0.785 521 HE2 LYS 67 HE2 LYS 67 -15.345 -2.142 -0.294 522 HE3 LYS 67 HE3 LYS 67 -15.641 -3.079 -1.756 523 HZ1 LYS 67 HZ1 LYS 67 -16.657 -3.666 0.971 524 HZ2 LYS 67 HZ2 LYS 67 -16.831 -4.710 -0.340 525 HZ3 LYS 67 HZ3 LYS 67 -17.563 -3.193 -0.375 526 H ARG 68 H ARG 68 -11.813 -7.483 2.838 527 HA ARG 68 HA ARG 68 -9.036 -7.402 2.432 528 HB2 ARG 68 HB2 ARG 68 -10.601 -7.869 4.544 529 HB3 ARG 68 HB3 ARG 68 -10.318 -9.541 4.070 530 HG2 ARG 68 HG2 ARG 68 -7.812 -8.286 4.057 531 HG3 ARG 68 HG3 ARG 68 -8.634 -7.718 5.497 532 HD2 ARG 68 HD2 ARG 68 -7.559 -9.638 6.239 533 HD3 ARG 68 HD3 ARG 68 -9.208 -10.179 5.931 534 HE ARG 68 HE ARG 68 -7.401 -10.532 3.706 535 HH11 ARG 68 HH11 ARG 68 -8.685 -11.977 6.636 536 HH12 ARG 68 HH12 ARG 68 -8.272 -13.590 6.180 537 HH21 ARG 68 HH21 ARG 68 -6.821 -12.686 3.107 538 HH22 ARG 68 HH22 ARG 68 -7.206 -13.992 4.172 539 H ASP 69 H ASP 69 -11.613 -9.797 1.874 540 HA ASP 69 HA ASP 69 -9.920 -11.801 0.772 541 HB2 ASP 69 HB2 ASP 69 -12.895 -11.352 0.568 542 HB3 ASP 69 HB3 ASP 69 -12.087 -12.684 -0.246 543 H ILE 70 H ILE 70 -11.753 -9.159 -0.534 544 HA ILE 70 HA ILE 70 -11.360 -9.693 -3.257 545 HB ILE 70 HB ILE 70 -11.810 -7.196 -1.670 546 HG12 ILE 70 HG12 ILE 70 -13.694 -8.697 -1.816 547 HG13 ILE 70 HG13 ILE 70 -14.032 -7.231 -2.726 548 HG21 ILE 70 HG21 ILE 70 -10.533 -6.498 -3.643 549 HG22 ILE 70 HG22 ILE 70 -12.207 -5.965 -3.800 550 HG23 ILE 70 HG23 ILE 70 -11.641 -7.375 -4.698 551 HD11 ILE 70 HD11 ILE 70 -13.265 -9.916 -3.850 552 HD12 ILE 70 HD12 ILE 70 -13.462 -8.446 -4.801 553 HD13 ILE 70 HD13 ILE 70 -14.840 -9.128 -3.940 554 H TYR 71 H TYR 71 -9.517 -7.655 -0.993 555 HA TYR 71 HA TYR 71 -7.418 -7.056 -2.775 556 HB2 TYR 71 HB2 TYR 71 -7.667 -5.788 -0.732 557 HB3 TYR 71 HB3 TYR 71 -7.387 -7.230 0.242 558 HD1 TYR 71 HD1 TYR 71 -5.727 -5.176 -2.394 559 HD2 TYR 71 HD2 TYR 71 -5.247 -7.631 1.046 560 HE1 TYR 71 HE1 TYR 71 -3.321 -4.703 -2.401 561 HE2 TYR 71 HE2 TYR 71 -2.833 -7.166 1.045 562 HH TYR 71 HH TYR 71 -1.443 -4.815 -1.165 563 H ASP 72 H ASP 72 -7.827 -9.647 -0.480 564 HA ASP 72 HA ASP 72 -5.348 -10.847 -0.499 565 HB2 ASP 72 HB2 ASP 72 -7.317 -11.297 0.997 566 HB3 ASP 72 HB3 ASP 72 -8.021 -12.235 -0.310 567 H GLN 73 H GLN 73 -8.027 -11.240 -2.762 568 HA GLN 73 HA GLN 73 -6.712 -13.435 -4.130 569 HB2 GLN 73 HB2 GLN 73 -9.305 -12.010 -4.688 570 HB3 GLN 73 HB3 GLN 73 -8.713 -13.400 -5.590 571 HG2 GLN 73 HG2 GLN 73 -8.829 -14.780 -3.621 572 HG3 GLN 73 HG3 GLN 73 -9.291 -13.388 -2.641 573 HE21 GLN 73 HE21 GLN 73 -11.332 -12.564 -2.812 574 HE22 GLN 73 HE22 GLN 73 -12.632 -13.425 -3.564 575 H PHE 74 H PHE 74 -7.481 -10.035 -4.769 576 HA PHE 74 HA PHE 74 -6.448 -10.207 -7.458 577 HB2 PHE 74 HB2 PHE 74 -7.485 -7.889 -5.839 578 HB3 PHE 74 HB3 PHE 74 -6.827 -7.701 -7.461 579 HD1 PHE 74 HD1 PHE 74 -9.700 -8.585 -5.508 580 HD2 PHE 74 HD2 PHE 74 -7.933 -8.936 -9.357 581 HE1 PHE 74 HE1 PHE 74 -11.896 -9.146 -6.459 582 HE2 PHE 74 HE2 PHE 74 -10.127 -9.495 -10.313 583 HZ PHE 74 HZ PHE 74 -12.110 -9.598 -8.866 584 H GLY 75 H GLY 75 -5.163 -9.448 -4.363 585 HA2 GLY 75 HA2 GLY 75 -2.881 -9.312 -3.864 586 HA3 GLY 75 HA3 GLY 75 -2.535 -9.104 -5.574 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 19.347 0.152 -3.096 2 H2 GLY 1 HT2 GLY 1 18.354 1.403 -3.659 3 H3 GLY 1 HT3 GLY 1 18.956 0.260 -4.737 4 HA2 GLY 1 HA3 GLY 1 17.674 -1.476 -3.680 5 HA3 GLY 1 HA2 GLY 1 17.058 -0.290 -2.537 6 H GLU 2 H GLU 2 15.369 -1.824 -4.091 7 HA GLU 2 HA GLU 2 14.465 -0.031 -6.214 8 HB2 GLU 2 HB2 GLU 2 13.909 -2.918 -5.587 9 HB3 GLU 2 HB3 GLU 2 12.834 -2.009 -6.635 10 HG2 GLU 2 HG2 GLU 2 14.378 -3.227 -7.991 11 HG3 GLU 2 HG3 GLU 2 14.761 -1.513 -8.109 12 H PHE 3 H PHE 3 12.345 0.728 -6.292 13 HA PHE 3 HA PHE 3 10.970 0.707 -3.693 14 HB2 PHE 3 HB2 PHE 3 11.064 2.877 -5.797 15 HB3 PHE 3 HB3 PHE 3 10.022 2.917 -4.380 16 HD1 PHE 3 HD1 PHE 3 13.446 3.216 -5.606 17 HD2 PHE 3 HD2 PHE 3 10.936 3.287 -2.173 18 HE1 PHE 3 HE1 PHE 3 15.261 4.235 -4.305 19 HE2 PHE 3 HE2 PHE 3 12.749 4.310 -0.863 20 HZ PHE 3 HZ PHE 3 14.915 4.786 -1.930 21 H GLY 4 H GLY 4 9.005 -0.111 -3.628 22 HA2 GLY 4 HA2 GLY 4 7.790 -0.995 -6.117 23 HA3 GLY 4 HA3 GLY 4 7.303 -1.455 -4.491 24 H SER 5 H SER 5 7.461 1.407 -6.588 25 HA SER 5 HA SER 5 5.544 2.904 -5.191 26 HB2 SER 5 HB2 SER 5 5.456 4.294 -7.238 27 HB3 SER 5 HB3 SER 5 7.110 3.935 -6.742 28 HG SER 5 HG SER 5 6.840 3.633 -8.975 29 H MET 6 H MET 6 5.244 0.546 -7.760 30 HA MET 6 HA MET 6 2.356 0.937 -7.845 31 HB2 MET 6 HB2 MET 6 4.179 -0.858 -9.454 32 HB3 MET 6 HB3 MET 6 2.434 -0.806 -9.640 33 HG2 MET 6 HG2 MET 6 2.639 1.603 -10.227 34 HG3 MET 6 HG3 MET 6 4.390 1.407 -10.201 35 HE1 MET 6 HE1 MET 6 4.939 -1.387 -11.446 36 HE2 MET 6 HE2 MET 6 5.776 0.080 -11.953 37 HE3 MET 6 HE3 MET 6 5.074 -0.997 -13.160 38 H VAL 7 H VAL 7 1.308 -0.013 -6.255 39 HA VAL 7 HA VAL 7 2.376 -2.342 -4.940 40 HB VAL 7 HB VAL 7 -0.279 -0.943 -4.521 41 HG11 VAL 7 HG11 VAL 7 -0.265 -3.258 -3.713 42 HG12 VAL 7 HG12 VAL 7 -0.349 -2.102 -2.384 43 HG13 VAL 7 HG13 VAL 7 1.174 -2.911 -2.756 44 HG21 VAL 7 HG21 VAL 7 1.598 0.546 -4.084 45 HG22 VAL 7 HG22 VAL 7 2.329 -0.662 -3.028 46 HG23 VAL 7 HG23 VAL 7 0.802 0.094 -2.577 47 H LYS 8 H LYS 8 2.010 -4.381 -5.542 48 HA LYS 8 HA LYS 8 0.318 -5.011 -7.691 49 HB2 LYS 8 HB2 LYS 8 2.174 -6.512 -5.911 50 HB3 LYS 8 HB3 LYS 8 1.002 -7.421 -6.850 51 HG2 LYS 8 HG2 LYS 8 3.108 -7.310 -8.024 52 HG3 LYS 8 HG3 LYS 8 1.880 -6.413 -8.908 53 HD2 LYS 8 HD2 LYS 8 3.908 -5.138 -8.942 54 HD3 LYS 8 HD3 LYS 8 2.769 -4.319 -7.873 55 HE2 LYS 8 HE2 LYS 8 3.881 -5.290 -5.928 56 HE3 LYS 8 HE3 LYS 8 4.999 -6.150 -6.986 57 HZ1 LYS 8 HZ1 LYS 8 4.740 -3.198 -6.813 58 HZ2 LYS 8 HZ2 LYS 8 5.867 -4.048 -7.749 59 HZ3 LYS 8 HZ3 LYS 8 5.947 -4.111 -6.063 60 H GLU 9 H GLU 9 -1.018 -7.032 -7.528 61 HA GLU 9 HA GLU 9 -3.467 -6.510 -6.412 62 HB2 GLU 9 HB2 GLU 9 -2.942 -8.210 -8.150 63 HB3 GLU 9 HB3 GLU 9 -2.329 -9.261 -6.885 64 HG2 GLU 9 HG2 GLU 9 -4.511 -9.415 -5.895 65 HG3 GLU 9 HG3 GLU 9 -5.150 -8.243 -7.051 66 H THR 10 H THR 10 -4.675 -7.408 -4.629 67 HA THR 10 HA THR 10 -5.050 -7.569 -2.459 68 HB THR 10 HB THR 10 -3.593 -9.101 -1.019 69 HG1 THR 10 HG1 THR 10 -1.902 -8.897 -3.066 70 HG21 THR 10 HG21 THR 10 -4.354 -11.163 -2.112 71 HG22 THR 10 HG22 THR 10 -4.696 -10.246 -3.579 72 HG23 THR 10 HG23 THR 10 -5.603 -9.918 -2.103 73 H LYS 11 H LYS 11 -4.172 -5.485 -3.310 74 HA LYS 11 HA LYS 11 -1.805 -4.282 -2.494 75 HB2 LYS 11 HB2 LYS 11 -4.488 -3.007 -2.984 76 HB3 LYS 11 HB3 LYS 11 -2.973 -2.139 -2.760 77 HG2 LYS 11 HG2 LYS 11 -2.053 -3.184 -4.746 78 HG3 LYS 11 HG3 LYS 11 -3.547 -4.097 -4.963 79 HD2 LYS 11 HD2 LYS 11 -4.787 -2.007 -5.236 80 HD3 LYS 11 HD3 LYS 11 -3.296 -1.090 -5.006 81 HE2 LYS 11 HE2 LYS 11 -2.347 -2.141 -7.001 82 HE3 LYS 11 HE3 LYS 11 -3.834 -3.060 -7.225 83 HZ1 LYS 11 HZ1 LYS 11 -5.029 -0.984 -7.528 84 HZ2 LYS 11 HZ2 LYS 11 -3.770 -1.108 -8.645 85 HZ3 LYS 11 HZ3 LYS 11 -3.606 -0.101 -7.304 86 H PHE 12 H PHE 12 -4.861 -4.506 -0.740 87 HA PHE 12 HA PHE 12 -4.021 -2.596 1.189 88 HB2 PHE 12 HB2 PHE 12 -6.374 -4.426 1.031 89 HB3 PHE 12 HB3 PHE 12 -5.988 -3.613 2.550 90 HD1 PHE 12 HD1 PHE 12 -8.094 -3.362 -0.094 91 HD2 PHE 12 HD2 PHE 12 -5.204 -1.014 1.951 92 HE1 PHE 12 HE1 PHE 12 -9.212 -1.305 -0.864 93 HE2 PHE 12 HE2 PHE 12 -6.313 1.035 1.198 94 HZ PHE 12 HZ PHE 12 -8.314 0.900 -0.196 95 H TYR 13 H TYR 13 -3.784 -6.057 0.921 96 HA TYR 13 HA TYR 13 -2.919 -6.443 3.647 97 HB2 TYR 13 HB2 TYR 13 -2.456 -8.160 1.185 98 HB3 TYR 13 HB3 TYR 13 -2.075 -8.639 2.834 99 HD1 TYR 13 HD1 TYR 13 -4.675 -8.283 0.334 100 HD2 TYR 13 HD2 TYR 13 -3.916 -9.121 4.429 101 HE1 TYR 13 HE1 TYR 13 -6.913 -9.263 0.541 102 HE2 TYR 13 HE2 TYR 13 -6.161 -10.097 4.651 103 HH TYR 13 HH TYR 13 -8.155 -10.724 1.890 104 H ASP 14 H ASP 14 -1.409 -6.119 0.500 105 HA ASP 14 HA ASP 14 1.272 -6.272 1.181 106 HB2 ASP 14 HB2 ASP 14 0.119 -6.094 -1.159 107 HB3 ASP 14 HB3 ASP 14 0.282 -4.370 -0.913 108 H ILE 15 H ILE 15 -0.827 -3.460 1.058 109 HA ILE 15 HA ILE 15 1.091 -1.491 1.631 110 HB ILE 15 HB ILE 15 -1.901 -1.537 2.014 111 HG12 ILE 15 HG12 ILE 15 -0.175 0.048 0.096 112 HG13 ILE 15 HG13 ILE 15 -0.917 -1.525 -0.284 113 HG21 ILE 15 HG21 ILE 15 -1.029 -0.020 3.705 114 HG22 ILE 15 HG22 ILE 15 -1.795 0.903 2.412 115 HG23 ILE 15 HG23 ILE 15 -0.037 0.795 2.497 116 HD11 ILE 15 HD11 ILE 15 -2.222 0.292 -1.200 117 HD12 ILE 15 HD12 ILE 15 -2.361 1.032 0.392 118 HD13 ILE 15 HD13 ILE 15 -3.130 -0.524 0.073 119 H LEU 16 H LEU 16 -1.183 -3.089 3.874 120 HA LEU 16 HA LEU 16 -0.019 -1.949 6.170 121 HB2 LEU 16 HB2 LEU 16 -1.682 -4.432 5.869 122 HB3 LEU 16 HB3 LEU 16 -1.151 -3.832 7.425 123 HG LEU 16 HG LEU 16 -2.990 -2.398 5.496 124 HD11 LEU 16 HD11 LEU 16 -3.973 -4.334 6.647 125 HD12 LEU 16 HD12 LEU 16 -4.696 -2.803 7.139 126 HD13 LEU 16 HD13 LEU 16 -3.536 -3.610 8.193 127 HD21 LEU 16 HD21 LEU 16 -3.267 -0.784 7.339 128 HD22 LEU 16 HD22 LEU 16 -1.626 -0.794 6.698 129 HD23 LEU 16 HD23 LEU 16 -1.981 -1.601 8.226 130 H GLY 17 H GLY 17 0.953 -4.695 4.290 131 HA2 GLY 17 HA2 GLY 17 3.110 -5.651 4.436 132 HA3 GLY 17 HA3 GLY 17 3.262 -4.997 6.064 133 H VAL 18 H VAL 18 0.334 -6.440 5.350 134 HA VAL 18 HA VAL 18 1.005 -8.764 7.019 135 HB VAL 18 HB VAL 18 -1.439 -9.049 7.318 136 HG11 VAL 18 HG11 VAL 18 -0.165 -7.808 8.949 137 HG12 VAL 18 HG12 VAL 18 -1.783 -7.132 8.774 138 HG13 VAL 18 HG13 VAL 18 -0.404 -6.325 8.028 139 HG21 VAL 18 HG21 VAL 18 -2.225 -8.035 5.254 140 HG22 VAL 18 HG22 VAL 18 -1.636 -6.462 5.782 141 HG23 VAL 18 HG23 VAL 18 -2.963 -7.240 6.645 142 HA PRO 19 HA PRO 19 0.410 -11.479 3.542 143 HB2 PRO 19 HB2 PRO 19 -0.541 -13.683 4.776 144 HB3 PRO 19 HB3 PRO 19 1.149 -13.184 4.937 145 HG2 PRO 19 HG2 PRO 19 -1.149 -12.734 6.798 146 HG3 PRO 19 HG3 PRO 19 0.496 -13.280 7.178 147 HD2 PRO 19 HD2 PRO 19 -0.299 -10.723 7.520 148 HD3 PRO 19 HD3 PRO 19 1.359 -11.123 7.045 149 H VAL 20 H VAL 20 -1.324 -12.478 2.290 150 HA VAL 20 HA VAL 20 -3.833 -11.282 2.481 151 HB VAL 20 HB VAL 20 -3.042 -13.916 1.195 152 HG11 VAL 20 HG11 VAL 20 -5.072 -13.706 -0.153 153 HG12 VAL 20 HG12 VAL 20 -5.531 -12.268 0.758 154 HG13 VAL 20 HG13 VAL 20 -5.452 -13.834 1.566 155 HG21 VAL 20 HG21 VAL 20 -1.821 -12.029 0.294 156 HG22 VAL 20 HG22 VAL 20 -3.327 -11.146 0.043 157 HG23 VAL 20 HG23 VAL 20 -2.996 -12.608 -0.885 158 H THR 21 H THR 21 -2.454 -14.151 3.825 159 HA THR 21 HA THR 21 -4.921 -15.187 4.966 160 HB THR 21 HB THR 21 -2.214 -16.192 5.745 161 HG1 THR 21 HG1 THR 21 -3.395 -16.319 3.162 162 HG21 THR 21 HG21 THR 21 -4.248 -17.272 6.618 163 HG22 THR 21 HG22 THR 21 -3.349 -18.367 5.570 164 HG23 THR 21 HG23 THR 21 -4.800 -17.566 4.969 165 H ALA 22 H ALA 22 -3.715 -12.491 5.773 166 HA ALA 22 HA ALA 22 -2.528 -12.650 8.305 167 HB1 ALA 22 HB1 ALA 22 -2.462 -10.681 6.827 168 HB2 ALA 22 HB2 ALA 22 -2.918 -10.306 8.489 169 HB3 ALA 22 HB3 ALA 22 -4.149 -10.365 7.227 170 H THR 23 H THR 23 -3.251 -12.340 10.305 171 HA THR 23 HA THR 23 -6.054 -12.967 10.815 172 HB THR 23 HB THR 23 -5.271 -13.233 13.179 173 HG1 THR 23 HG1 THR 23 -2.674 -12.870 12.036 174 HG21 THR 23 HG21 THR 23 -5.351 -15.172 11.684 175 HG22 THR 23 HG22 THR 23 -3.994 -15.297 12.805 176 HG23 THR 23 HG23 THR 23 -3.715 -14.818 11.131 177 H ASP 24 H ASP 24 -7.096 -11.686 12.685 178 HA ASP 24 HA ASP 24 -7.255 -8.990 12.069 179 HB2 ASP 24 HB2 ASP 24 -7.983 -10.457 14.616 180 HB3 ASP 24 HB3 ASP 24 -8.402 -8.780 14.291 181 H VAL 25 H VAL 25 -5.320 -10.687 14.485 182 HA VAL 25 HA VAL 25 -4.442 -8.448 15.937 183 HB VAL 25 HB VAL 25 -3.137 -11.139 15.484 184 HG11 VAL 25 HG11 VAL 25 -1.420 -9.526 16.095 185 HG12 VAL 25 HG12 VAL 25 -1.729 -10.628 17.436 186 HG13 VAL 25 HG13 VAL 25 -2.387 -8.993 17.470 187 HG21 VAL 25 HG21 VAL 25 -5.287 -11.201 16.651 188 HG22 VAL 25 HG22 VAL 25 -4.676 -10.049 17.839 189 HG23 VAL 25 HG23 VAL 25 -3.959 -11.655 17.717 190 H GLU 26 H GLU 26 -2.936 -10.187 13.191 191 HA GLU 26 HA GLU 26 -0.663 -8.574 12.903 192 HB2 GLU 26 HB2 GLU 26 -2.264 -10.166 10.907 193 HB3 GLU 26 HB3 GLU 26 -0.697 -9.444 10.544 194 HG2 GLU 26 HG2 GLU 26 0.359 -10.796 12.207 195 HG3 GLU 26 HG3 GLU 26 -1.197 -11.448 12.721 196 H ILE 27 H ILE 27 -3.880 -8.323 11.663 197 HA ILE 27 HA ILE 27 -3.457 -6.203 9.878 198 HB ILE 27 HB ILE 27 -5.899 -7.288 11.283 199 HG12 ILE 27 HG12 ILE 27 -5.101 -7.356 8.365 200 HG13 ILE 27 HG13 ILE 27 -4.686 -8.617 9.520 201 HG21 ILE 27 HG21 ILE 27 -6.290 -4.903 10.853 202 HG22 ILE 27 HG22 ILE 27 -7.255 -5.893 9.759 203 HG23 ILE 27 HG23 ILE 27 -5.787 -5.109 9.175 204 HD11 ILE 27 HD11 ILE 27 -6.633 -9.180 8.155 205 HD12 ILE 27 HD12 ILE 27 -7.482 -7.774 8.803 206 HD13 ILE 27 HD13 ILE 27 -7.023 -9.098 9.872 207 H LYS 28 H LYS 28 -4.498 -6.290 13.271 208 HA LYS 28 HA LYS 28 -4.984 -3.552 13.615 209 HB2 LYS 28 HB2 LYS 28 -4.111 -5.690 15.567 210 HB3 LYS 28 HB3 LYS 28 -4.605 -4.078 16.049 211 HG2 LYS 28 HG2 LYS 28 -6.379 -5.979 14.534 212 HG3 LYS 28 HG3 LYS 28 -6.342 -5.863 16.292 213 HD2 LYS 28 HD2 LYS 28 -6.922 -3.560 14.453 214 HD3 LYS 28 HD3 LYS 28 -8.173 -4.554 15.205 215 HE2 LYS 28 HE2 LYS 28 -7.185 -3.946 17.428 216 HE3 LYS 28 HE3 LYS 28 -6.128 -2.818 16.586 217 HZ1 LYS 28 HZ1 LYS 28 -9.090 -2.725 16.653 218 HZ2 LYS 28 HZ2 LYS 28 -8.121 -1.675 15.761 219 HZ3 LYS 28 HZ3 LYS 28 -8.033 -1.675 17.446 220 H LYS 29 H LYS 29 -2.120 -5.497 14.265 221 HA LYS 29 HA LYS 29 -0.630 -3.260 15.219 222 HB2 LYS 29 HB2 LYS 29 1.322 -4.755 15.305 223 HB3 LYS 29 HB3 LYS 29 -0.086 -5.403 16.123 224 HG2 LYS 29 HG2 LYS 29 -0.524 -6.856 14.219 225 HG3 LYS 29 HG3 LYS 29 0.913 -6.233 13.400 226 HD2 LYS 29 HD2 LYS 29 2.323 -7.033 15.236 227 HD3 LYS 29 HD3 LYS 29 0.896 -7.597 16.099 228 HE2 LYS 29 HE2 LYS 29 2.017 -9.452 15.032 229 HE3 LYS 29 HE3 LYS 29 0.447 -9.191 14.282 230 HZ1 LYS 29 HZ1 LYS 29 2.128 -9.598 12.622 231 HZ2 LYS 29 HZ2 LYS 29 3.080 -8.338 13.213 232 HZ3 LYS 29 HZ3 LYS 29 1.600 -7.996 12.479 233 H ALA 30 H ALA 30 -0.801 -4.834 12.121 234 HA ALA 30 HA ALA 30 1.287 -3.452 10.893 235 HB1 ALA 30 HB1 ALA 30 0.145 -5.398 9.915 236 HB2 ALA 30 HB2 ALA 30 0.265 -4.034 8.805 237 HB3 ALA 30 HB3 ALA 30 -1.266 -4.385 9.611 238 H TYR 31 H TYR 31 -2.127 -2.688 11.349 239 HA TYR 31 HA TYR 31 -2.131 -0.262 9.942 240 HB2 TYR 31 HB2 TYR 31 -4.229 -1.244 10.501 241 HB3 TYR 31 HB3 TYR 31 -3.824 -1.314 12.217 242 HD1 TYR 31 HD1 TYR 31 -4.298 1.152 9.441 243 HD2 TYR 31 HD2 TYR 31 -4.605 0.384 13.615 244 HE1 TYR 31 HE1 TYR 31 -5.374 3.338 9.763 245 HE2 TYR 31 HE2 TYR 31 -5.687 2.565 13.942 246 HH TYR 31 HH TYR 31 -6.915 4.405 11.402 247 H ARG 32 H ARG 32 -1.575 -1.127 13.289 248 HA ARG 32 HA ARG 32 -1.202 1.421 14.348 249 HB2 ARG 32 HB2 ARG 32 -0.040 -1.245 15.107 250 HB3 ARG 32 HB3 ARG 32 0.177 0.210 16.069 251 HG2 ARG 32 HG2 ARG 32 -2.513 -0.834 15.305 252 HG3 ARG 32 HG3 ARG 32 -1.664 -1.361 16.758 253 HD2 ARG 32 HD2 ARG 32 -1.525 0.976 17.494 254 HD3 ARG 32 HD3 ARG 32 -2.351 1.488 16.028 255 HE ARG 32 HE ARG 32 -3.971 -0.373 17.348 256 HH11 ARG 32 HH11 ARG 32 -2.718 2.859 17.867 257 HH12 ARG 32 HH12 ARG 32 -4.102 3.408 18.745 258 HH21 ARG 32 HH21 ARG 32 -5.831 0.363 18.520 259 HH22 ARG 32 HH22 ARG 32 -5.871 1.984 19.119 260 H LYS 33 H LYS 33 1.176 -0.828 12.975 261 HA LYS 33 HA LYS 33 3.289 1.047 13.462 262 HB2 LYS 33 HB2 LYS 33 4.772 -0.424 12.359 263 HB3 LYS 33 HB3 LYS 33 3.639 -1.430 13.248 264 HG2 LYS 33 HG2 LYS 33 2.419 -1.889 11.187 265 HG3 LYS 33 HG3 LYS 33 3.541 -0.838 10.311 266 HD2 LYS 33 HD2 LYS 33 5.397 -2.310 10.900 267 HD3 LYS 33 HD3 LYS 33 4.290 -3.365 11.780 268 HE2 LYS 33 HE2 LYS 33 3.086 -3.842 9.713 269 HE3 LYS 33 HE3 LYS 33 4.149 -2.751 8.827 270 HZ1 LYS 33 HZ1 LYS 33 4.821 -5.051 8.549 271 HZ2 LYS 33 HZ2 LYS 33 4.993 -5.236 10.218 272 HZ3 LYS 33 HZ3 LYS 33 6.013 -4.185 9.377 273 H CYS 34 H CYS 34 1.363 0.238 10.607 274 HA CYS 34 HA CYS 34 2.858 1.872 8.864 275 HB2 CYS 34 HB2 CYS 34 1.241 0.204 8.059 276 HB3 CYS 34 HB3 CYS 34 -0.080 1.183 8.689 277 HG CYS 34 HG CYS 34 0.445 3.347 6.961 278 H ALA 35 H ALA 35 -0.097 2.599 10.708 279 HA ALA 35 HA ALA 35 -0.313 5.275 9.841 280 HB1 ALA 35 HB1 ALA 35 -2.172 4.029 10.841 281 HB2 ALA 35 HB2 ALA 35 -1.881 5.554 11.677 282 HB3 ALA 35 HB3 ALA 35 -1.336 4.038 12.395 283 H LEU 36 H LEU 36 1.086 3.886 12.769 284 HA LEU 36 HA LEU 36 1.872 6.359 13.884 285 HB2 LEU 36 HB2 LEU 36 2.857 3.578 14.442 286 HB3 LEU 36 HB3 LEU 36 3.404 4.987 15.330 287 HG LEU 36 HG LEU 36 0.532 4.066 15.189 288 HD11 LEU 36 HD11 LEU 36 0.833 3.317 17.485 289 HD12 LEU 36 HD12 LEU 36 2.541 3.744 17.408 290 HD13 LEU 36 HD13 LEU 36 1.909 2.452 16.387 291 HD21 LEU 36 HD21 LEU 36 0.213 5.641 17.054 292 HD22 LEU 36 HD22 LEU 36 0.720 6.451 15.574 293 HD23 LEU 36 HD23 LEU 36 1.884 6.175 16.870 294 H LYS 37 H LYS 37 3.601 4.141 11.797 295 HA LYS 37 HA LYS 37 6.111 5.414 11.980 296 HB2 LYS 37 HB2 LYS 37 4.892 3.608 9.896 297 HB3 LYS 37 HB3 LYS 37 6.541 4.222 9.767 298 HG2 LYS 37 HG2 LYS 37 7.212 3.043 11.731 299 HG3 LYS 37 HG3 LYS 37 5.540 2.660 12.141 300 HD2 LYS 37 HD2 LYS 37 6.618 0.708 11.227 301 HD3 LYS 37 HD3 LYS 37 5.392 1.283 10.104 302 HE2 LYS 37 HE2 LYS 37 7.126 2.366 8.758 303 HE3 LYS 37 HE3 LYS 37 8.356 1.812 9.892 304 HZ1 LYS 37 HZ1 LYS 37 7.768 -0.473 9.344 305 HZ2 LYS 37 HZ2 LYS 37 8.244 0.372 7.966 306 HZ3 LYS 37 HZ3 LYS 37 6.608 0.070 8.243 307 H TYR 38 H TYR 38 3.373 5.940 9.749 308 HA TYR 38 HA TYR 38 4.881 8.212 8.576 309 HB2 TYR 38 HB2 TYR 38 2.760 6.447 7.367 310 HB3 TYR 38 HB3 TYR 38 3.537 7.787 6.532 311 HD1 TYR 38 HD1 TYR 38 3.821 4.356 7.643 312 HD2 TYR 38 HD2 TYR 38 5.989 7.632 6.006 313 HE1 TYR 38 HE1 TYR 38 5.633 2.829 7.016 314 HE2 TYR 38 HE2 TYR 38 7.812 6.104 5.365 315 HH TYR 38 HH TYR 38 8.679 3.884 6.107 316 H HIS 39 H HIS 39 2.835 8.116 10.894 317 HA HIS 39 HA HIS 39 0.514 9.461 10.076 318 HB2 HIS 39 HB2 HIS 39 0.263 10.138 12.442 319 HB3 HIS 39 HB3 HIS 39 0.656 8.432 12.272 320 HD2 HIS 39 HD2 HIS 39 4.029 9.457 11.960 321 HE1 HIS 39 HE1 HIS 39 3.370 10.041 16.100 322 HE2 HIS 39 HE2 HIS 39 5.050 9.472 14.325 323 HA PRO 40 HA PRO 40 1.858 13.546 9.050 324 HB2 PRO 40 HB2 PRO 40 -0.453 14.903 9.568 325 HB3 PRO 40 HB3 PRO 40 -0.230 13.881 8.138 326 HG2 PRO 40 HG2 PRO 40 -1.564 13.228 10.741 327 HG3 PRO 40 HG3 PRO 40 -2.118 12.898 9.090 328 HD2 PRO 40 HD2 PRO 40 -0.970 10.993 10.574 329 HD3 PRO 40 HD3 PRO 40 -0.666 11.105 8.826 330 H ASP 41 H ASP 41 0.757 12.650 12.145 331 HA ASP 41 HA ASP 41 0.913 15.067 13.568 332 HB2 ASP 41 HB2 ASP 41 1.341 12.212 14.462 333 HB3 ASP 41 HB3 ASP 41 1.267 13.579 15.568 334 H LYS 42 H LYS 42 3.378 13.000 12.307 335 HA LYS 42 HA LYS 42 5.427 14.622 13.601 336 HB2 LYS 42 HB2 LYS 42 5.481 11.599 13.492 337 HB3 LYS 42 HB3 LYS 42 6.840 12.601 13.976 338 HG2 LYS 42 HG2 LYS 42 4.186 12.437 15.396 339 HG3 LYS 42 HG3 LYS 42 5.673 11.634 15.896 340 HD2 LYS 42 HD2 LYS 42 5.323 14.624 15.647 341 HD3 LYS 42 HD3 LYS 42 5.203 13.717 17.153 342 HE2 LYS 42 HE2 LYS 42 7.521 12.960 16.870 343 HE3 LYS 42 HE3 LYS 42 7.637 13.894 15.378 344 HZ1 LYS 42 HZ1 LYS 42 7.117 15.021 18.071 345 HZ2 LYS 42 HZ2 LYS 42 7.279 15.904 16.639 346 HZ3 LYS 42 HZ3 LYS 42 8.602 15.060 17.262 347 H ASN 43 H ASN 43 4.441 12.431 11.061 348 HA ASN 43 HA ASN 43 6.758 13.062 9.431 349 HB2 ASN 43 HB2 ASN 43 4.395 11.236 8.966 350 HB3 ASN 43 HB3 ASN 43 5.759 11.413 7.871 351 HD21 ASN 43 HD21 ASN 43 7.642 10.376 8.308 352 HD22 ASN 43 HD22 ASN 43 7.844 9.277 9.622 353 HA PRO 44 HA PRO 44 4.093 16.333 7.851 354 HB2 PRO 44 HB2 PRO 44 6.001 17.840 6.772 355 HB3 PRO 44 HB3 PRO 44 5.826 17.703 8.527 356 HG2 PRO 44 HG2 PRO 44 7.746 16.297 6.706 357 HG3 PRO 44 HG3 PRO 44 8.054 17.062 8.276 358 HD2 PRO 44 HD2 PRO 44 7.674 14.367 7.923 359 HD3 PRO 44 HD3 PRO 44 7.323 15.236 9.448 360 H SER 45 H SER 45 5.901 14.047 6.091 361 HA SER 45 HA SER 45 5.724 15.136 3.487 362 HB2 SER 45 HB2 SER 45 5.720 12.246 4.117 363 HB3 SER 45 HB3 SER 45 6.405 13.053 2.725 364 HG SER 45 HG SER 45 7.925 14.075 4.137 365 H GLU 46 H GLU 46 4.291 15.024 2.036 366 HA GLU 46 HA GLU 46 1.581 14.634 2.565 367 HB2 GLU 46 HB2 GLU 46 3.074 14.682 -0.055 368 HB3 GLU 46 HB3 GLU 46 1.323 14.719 0.072 369 HG2 GLU 46 HG2 GLU 46 1.409 16.836 1.213 370 HG3 GLU 46 HG3 GLU 46 3.172 16.782 1.242 371 H GLU 47 H GLU 47 3.943 12.640 0.979 372 HA GLU 47 HA GLU 47 2.294 10.522 0.133 373 HB2 GLU 47 HB2 GLU 47 5.191 10.655 0.846 374 HB3 GLU 47 HB3 GLU 47 4.450 9.232 0.122 375 HG2 GLU 47 HG2 GLU 47 3.837 10.544 -1.849 376 HG3 GLU 47 HG3 GLU 47 4.565 11.976 -1.124 377 H ALA 48 H ALA 48 4.070 11.098 3.075 378 HA ALA 48 HA ALA 48 3.636 8.613 4.311 379 HB1 ALA 48 HB1 ALA 48 5.303 10.183 5.157 380 HB2 ALA 48 HB2 ALA 48 4.151 9.772 6.426 381 HB3 ALA 48 HB3 ALA 48 4.025 11.317 5.589 382 H ALA 49 H ALA 49 1.911 11.564 4.306 383 HA ALA 49 HA ALA 49 -0.191 10.824 6.036 384 HB1 ALA 49 HB1 ALA 49 0.275 13.162 5.441 385 HB2 ALA 49 HB2 ALA 49 -1.407 12.734 5.130 386 HB3 ALA 49 HB3 ALA 49 -0.262 12.844 3.792 387 H GLU 50 H GLU 50 0.242 10.592 2.564 388 HA GLU 50 HA GLU 50 -2.299 9.614 1.856 389 HB2 GLU 50 HB2 GLU 50 0.372 8.952 0.610 390 HB3 GLU 50 HB3 GLU 50 -1.199 8.728 -0.144 391 HG2 GLU 50 HG2 GLU 50 -1.507 11.223 0.116 392 HG3 GLU 50 HG3 GLU 50 0.222 11.267 0.530 393 H LYS 51 H LYS 51 0.657 8.029 2.835 394 HA LYS 51 HA LYS 51 -0.143 5.352 2.593 395 HB2 LYS 51 HB2 LYS 51 1.827 6.687 4.440 396 HB3 LYS 51 HB3 LYS 51 1.639 4.940 4.312 397 HG2 LYS 51 HG2 LYS 51 2.296 5.007 1.990 398 HG3 LYS 51 HG3 LYS 51 2.379 6.767 2.042 399 HD2 LYS 51 HD2 LYS 51 4.597 5.808 2.229 400 HD3 LYS 51 HD3 LYS 51 4.140 6.625 3.732 401 HE2 LYS 51 HE2 LYS 51 5.228 4.498 4.175 402 HE3 LYS 51 HE3 LYS 51 3.565 4.472 4.745 403 HZ1 LYS 51 HZ1 LYS 51 2.963 3.268 2.692 404 HZ2 LYS 51 HZ2 LYS 51 4.119 2.419 3.590 405 HZ3 LYS 51 HZ3 LYS 51 4.581 3.276 2.207 406 H PHE 52 H PHE 52 -0.419 7.657 5.190 407 HA PHE 52 HA PHE 52 -1.477 5.977 7.169 408 HB2 PHE 52 HB2 PHE 52 -0.724 8.297 7.605 409 HB3 PHE 52 HB3 PHE 52 -2.110 8.906 6.695 410 HD1 PHE 52 HD1 PHE 52 -0.949 7.725 9.890 411 HD2 PHE 52 HD2 PHE 52 -4.438 8.436 7.557 412 HE1 PHE 52 HE1 PHE 52 -2.330 7.653 11.928 413 HE2 PHE 52 HE2 PHE 52 -5.824 8.355 9.579 414 HZ PHE 52 HZ PHE 52 -4.767 7.974 11.777 415 H LYS 53 H LYS 53 -3.054 7.880 4.632 416 HA LYS 53 HA LYS 53 -5.720 7.259 5.251 417 HB2 LYS 53 HB2 LYS 53 -4.410 7.934 2.616 418 HB3 LYS 53 HB3 LYS 53 -6.147 7.788 2.822 419 HG2 LYS 53 HG2 LYS 53 -4.415 9.738 4.323 420 HG3 LYS 53 HG3 LYS 53 -5.314 10.118 2.849 421 HD2 LYS 53 HD2 LYS 53 -7.398 9.416 4.045 422 HD3 LYS 53 HD3 LYS 53 -6.435 9.271 5.516 423 HE2 LYS 53 HE2 LYS 53 -6.749 11.785 3.881 424 HE3 LYS 53 HE3 LYS 53 -7.624 11.426 5.366 425 HZ1 LYS 53 HZ1 LYS 53 -4.678 11.686 5.121 426 HZ2 LYS 53 HZ2 LYS 53 -5.526 11.378 6.552 427 HZ3 LYS 53 HZ3 LYS 53 -5.717 12.851 5.757 428 H GLU 54 H GLU 54 -3.368 5.613 3.148 429 HA GLU 54 HA GLU 54 -5.129 3.660 2.129 430 HB2 GLU 54 HB2 GLU 54 -2.142 3.648 2.515 431 HB3 GLU 54 HB3 GLU 54 -3.032 2.419 1.627 432 HG2 GLU 54 HG2 GLU 54 -3.786 4.067 0.044 433 HG3 GLU 54 HG3 GLU 54 -2.974 5.334 0.964 434 H ALA 55 H ALA 55 -3.014 3.771 4.931 435 HA ALA 55 HA ALA 55 -3.306 1.075 5.725 436 HB1 ALA 55 HB1 ALA 55 -2.455 1.833 7.890 437 HB2 ALA 55 HB2 ALA 55 -2.693 3.511 7.399 438 HB3 ALA 55 HB3 ALA 55 -1.508 2.506 6.564 439 H SER 56 H SER 56 -5.025 4.030 6.414 440 HA SER 56 HA SER 56 -6.706 3.007 8.422 441 HB2 SER 56 HB2 SER 56 -7.085 5.363 6.554 442 HB3 SER 56 HB3 SER 56 -8.057 5.062 7.993 443 HG SER 56 HG SER 56 -5.298 5.657 7.843 444 H ALA 57 H ALA 57 -7.130 3.310 4.872 445 HA ALA 57 HA ALA 57 -9.797 2.295 4.864 446 HB1 ALA 57 HB1 ALA 57 -8.867 3.594 2.992 447 HB2 ALA 57 HB2 ALA 57 -9.492 2.035 2.452 448 HB3 ALA 57 HB3 ALA 57 -7.754 2.273 2.635 449 H ALA 58 H ALA 58 -6.662 0.791 4.492 450 HA ALA 58 HA ALA 58 -7.463 -1.820 3.883 451 HB1 ALA 58 HB1 ALA 58 -5.067 -1.049 5.545 452 HB2 ALA 58 HB2 ALA 58 -5.117 -0.907 3.795 453 HB3 ALA 58 HB3 ALA 58 -5.262 -2.495 4.551 454 H TYR 59 H TYR 59 -6.826 -0.184 6.910 455 HA TYR 59 HA TYR 59 -7.403 -2.255 8.677 456 HB2 TYR 59 HB2 TYR 59 -6.285 -0.254 9.351 457 HB3 TYR 59 HB3 TYR 59 -7.678 0.737 8.934 458 HD1 TYR 59 HD1 TYR 59 -6.389 -1.817 11.256 459 HD2 TYR 59 HD2 TYR 59 -9.403 1.075 10.509 460 HE1 TYR 59 HE1 TYR 59 -7.128 -1.994 13.578 461 HE2 TYR 59 HE2 TYR 59 -10.156 0.901 12.834 462 HH TYR 59 HH TYR 59 -10.052 -0.748 14.676 463 H GLU 60 H GLU 60 -9.466 0.104 7.113 464 HA GLU 60 HA GLU 60 -11.759 -0.272 8.620 465 HB2 GLU 60 HB2 GLU 60 -11.449 0.524 5.731 466 HB3 GLU 60 HB3 GLU 60 -12.982 0.567 6.589 467 HG2 GLU 60 HG2 GLU 60 -10.505 2.136 7.238 468 HG3 GLU 60 HG3 GLU 60 -11.998 2.757 6.533 469 H ILE 61 H ILE 61 -10.577 -2.043 5.781 470 HA ILE 61 HA ILE 61 -12.962 -3.750 5.904 471 HB ILE 61 HB ILE 61 -11.948 -4.878 3.892 472 HG12 ILE 61 HG12 ILE 61 -10.107 -2.478 3.921 473 HG13 ILE 61 HG13 ILE 61 -9.622 -4.131 4.276 474 HG21 ILE 61 HG21 ILE 61 -12.587 -1.939 3.691 475 HG22 ILE 61 HG22 ILE 61 -13.748 -3.269 3.689 476 HG23 ILE 61 HG23 ILE 61 -12.615 -3.085 2.351 477 HD11 ILE 61 HD11 ILE 61 -10.724 -3.150 1.661 478 HD12 ILE 61 HD12 ILE 61 -10.197 -4.796 2.018 479 HD13 ILE 61 HD13 ILE 61 -9.028 -3.475 2.018 480 H LEU 62 H LEU 62 -9.469 -4.092 6.069 481 HA LEU 62 HA LEU 62 -9.457 -6.821 6.560 482 HB2 LEU 62 HB2 LEU 62 -7.500 -4.667 7.188 483 HB3 LEU 62 HB3 LEU 62 -7.115 -6.390 7.330 484 HG LEU 62 HG LEU 62 -7.851 -4.864 4.832 485 HD11 LEU 62 HD11 LEU 62 -5.604 -4.415 5.526 486 HD12 LEU 62 HD12 LEU 62 -5.575 -5.458 4.103 487 HD13 LEU 62 HD13 LEU 62 -5.268 -6.137 5.701 488 HD21 LEU 62 HD21 LEU 62 -7.366 -6.969 3.630 489 HD22 LEU 62 HD22 LEU 62 -8.785 -7.073 4.669 490 HD23 LEU 62 HD23 LEU 62 -7.260 -7.799 5.183 491 H SER 63 H SER 63 -9.569 -4.131 8.914 492 HA SER 63 HA SER 63 -9.137 -5.734 11.205 493 HB2 SER 63 HB2 SER 63 -8.914 -3.252 11.159 494 HB3 SER 63 HB3 SER 63 -10.664 -3.123 11.040 495 HG SER 63 HG SER 63 -10.583 -4.504 13.055 496 H ASP 64 H ASP 64 -11.654 -5.857 9.085 497 HA ASP 64 HA ASP 64 -13.386 -7.095 11.097 498 HB2 ASP 64 HB2 ASP 64 -14.229 -5.491 8.674 499 HB3 ASP 64 HB3 ASP 64 -15.313 -6.596 9.504 500 HA PRO 65 HA PRO 65 -11.912 -10.584 8.694 501 HB2 PRO 65 HB2 PRO 65 -14.117 -11.821 10.272 502 HB3 PRO 65 HB3 PRO 65 -12.450 -12.375 10.041 503 HG2 PRO 65 HG2 PRO 65 -13.171 -11.233 12.295 504 HG3 PRO 65 HG3 PRO 65 -11.593 -10.832 11.574 505 HD2 PRO 65 HD2 PRO 65 -14.150 -9.271 11.618 506 HD3 PRO 65 HD3 PRO 65 -12.483 -8.682 11.751 507 H GLU 66 H GLU 66 -15.181 -9.531 9.013 508 HA GLU 66 HA GLU 66 -16.260 -11.299 7.015 509 HB2 GLU 66 HB2 GLU 66 -17.371 -8.767 8.254 510 HB3 GLU 66 HB3 GLU 66 -18.254 -9.758 7.103 511 HG2 GLU 66 HG2 GLU 66 -17.305 -10.621 9.824 512 HG3 GLU 66 HG3 GLU 66 -18.959 -10.210 9.378 513 H LYS 67 H LYS 67 -14.981 -8.071 7.175 514 HA LYS 67 HA LYS 67 -15.617 -7.442 4.461 515 HB2 LYS 67 HB2 LYS 67 -14.161 -6.153 6.732 516 HB3 LYS 67 HB3 LYS 67 -14.194 -5.408 5.117 517 HG2 LYS 67 HG2 LYS 67 -16.618 -6.067 6.801 518 HG3 LYS 67 HG3 LYS 67 -15.867 -4.473 6.694 519 HD2 LYS 67 HD2 LYS 67 -16.293 -4.469 4.258 520 HD3 LYS 67 HD3 LYS 67 -17.109 -6.024 4.418 521 HE2 LYS 67 HE2 LYS 67 -18.761 -5.003 5.905 522 HE3 LYS 67 HE3 LYS 67 -17.940 -3.451 5.754 523 HZ1 LYS 67 HZ1 LYS 67 -18.421 -3.465 3.386 524 HZ2 LYS 67 HZ2 LYS 67 -19.847 -3.587 4.282 525 HZ3 LYS 67 HZ3 LYS 67 -19.211 -4.957 3.529 526 H ARG 68 H ARG 68 -13.106 -8.757 6.355 527 HA ARG 68 HA ARG 68 -10.905 -8.338 4.658 528 HB2 ARG 68 HB2 ARG 68 -11.188 -9.095 7.175 529 HB3 ARG 68 HB3 ARG 68 -11.183 -10.703 6.472 530 HG2 ARG 68 HG2 ARG 68 -8.989 -9.144 5.449 531 HG3 ARG 68 HG3 ARG 68 -8.984 -9.151 7.205 532 HD2 ARG 68 HD2 ARG 68 -7.722 -11.034 6.676 533 HD3 ARG 68 HD3 ARG 68 -9.320 -11.696 7.003 534 HE ARG 68 HE ARG 68 -8.690 -11.087 4.227 535 HH11 ARG 68 HH11 ARG 68 -8.998 -13.537 6.732 536 HH12 ARG 68 HH12 ARG 68 -8.950 -14.861 5.621 537 HH21 ARG 68 HH21 ARG 68 -8.613 -12.861 2.767 538 HH22 ARG 68 HH22 ARG 68 -8.736 -14.476 3.365 539 H ASP 69 H ASP 69 -13.266 -10.960 5.134 540 HA ASP 69 HA ASP 69 -12.203 -12.593 3.051 541 HB2 ASP 69 HB2 ASP 69 -14.686 -12.694 4.704 542 HB3 ASP 69 HB3 ASP 69 -14.578 -13.677 3.248 543 H ILE 70 H ILE 70 -14.700 -10.189 3.285 544 HA ILE 70 HA ILE 70 -15.763 -10.477 0.710 545 HB ILE 70 HB ILE 70 -15.514 -8.161 2.590 546 HG12 ILE 70 HG12 ILE 70 -17.067 -9.886 3.257 547 HG13 ILE 70 HG13 ILE 70 -17.952 -8.428 2.829 548 HG21 ILE 70 HG21 ILE 70 -16.943 -8.131 -0.082 549 HG22 ILE 70 HG22 ILE 70 -15.521 -7.185 0.351 550 HG23 ILE 70 HG23 ILE 70 -17.064 -6.869 1.143 551 HD11 ILE 70 HD11 ILE 70 -18.476 -9.433 0.639 552 HD12 ILE 70 HD12 ILE 70 -19.104 -10.363 1.997 553 HD13 ILE 70 HD13 ILE 70 -17.661 -10.911 1.150 554 H TYR 71 H TYR 71 -13.139 -8.401 1.921 555 HA TYR 71 HA TYR 71 -12.369 -7.414 -0.609 556 HB2 TYR 71 HB2 TYR 71 -11.577 -6.361 1.455 557 HB3 TYR 71 HB3 TYR 71 -10.642 -7.801 1.846 558 HD1 TYR 71 HD1 TYR 71 -11.039 -5.473 -1.057 559 HD2 TYR 71 HD2 TYR 71 -8.377 -7.659 1.427 560 HE1 TYR 71 HE1 TYR 71 -9.134 -4.552 -2.306 561 HE2 TYR 71 HE2 TYR 71 -6.461 -6.750 0.183 562 HH TYR 71 HH TYR 71 -6.877 -4.265 -2.268 563 H ASP 72 H ASP 72 -11.450 -10.278 1.130 564 HA ASP 72 HA ASP 72 -9.424 -11.241 -0.538 565 HB2 ASP 72 HB2 ASP 72 -9.917 -12.221 1.631 566 HB3 ASP 72 HB3 ASP 72 -11.504 -12.728 1.074 567 H GLN 73 H GLN 73 -12.927 -11.689 -0.711 568 HA GLN 73 HA GLN 73 -12.919 -13.350 -3.016 569 HB2 GLN 73 HB2 GLN 73 -15.079 -11.660 -1.766 570 HB3 GLN 73 HB3 GLN 73 -15.353 -12.739 -3.128 571 HG2 GLN 73 HG2 GLN 73 -14.700 -14.642 -1.795 572 HG3 GLN 73 HG3 GLN 73 -14.309 -13.581 -0.442 573 HE21 GLN 73 HE21 GLN 73 -15.940 -12.685 0.749 574 HE22 GLN 73 HE22 GLN 73 -17.576 -13.237 0.660 575 H PHE 74 H PHE 74 -13.240 -9.878 -2.521 576 HA PHE 74 HA PHE 74 -13.607 -9.341 -5.327 577 HB2 PHE 74 HB2 PHE 74 -13.267 -7.564 -2.923 578 HB3 PHE 74 HB3 PHE 74 -13.254 -6.909 -4.554 579 HD1 PHE 74 HD1 PHE 74 -15.324 -8.719 -2.081 580 HD2 PHE 74 HD2 PHE 74 -15.251 -6.578 -5.753 581 HE1 PHE 74 HE1 PHE 74 -17.780 -8.600 -2.056 582 HE2 PHE 74 HE2 PHE 74 -17.706 -6.456 -5.735 583 HZ PHE 74 HZ PHE 74 -18.972 -7.468 -3.882 584 H GLY 75 H GLY 75 -11.004 -10.149 -3.499 585 HA2 GLY 75 HA2 GLY 75 -8.950 -8.529 -4.562 586 HA3 GLY 75 HA3 GLY 75 -8.740 -10.141 -3.888 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 4.217 1.034 -1.767 2 H2 GLY 1 HT2 GLY 1 5.853 1.100 -2.185 3 H3 GLY 1 HT3 GLY 1 5.206 -0.316 -1.533 4 HA2 GLY 1 HA3 GLY 1 3.815 -0.614 -3.469 5 HA3 GLY 1 HA2 GLY 1 4.485 0.864 -4.146 6 H GLU 2 H GLU 2 5.335 -0.163 -5.956 7 HA GLU 2 HA GLU 2 6.790 -1.317 -7.224 8 HB2 GLU 2 HB2 GLU 2 8.580 -1.050 -4.811 9 HB3 GLU 2 HB3 GLU 2 9.112 -1.531 -6.416 10 HG2 GLU 2 HG2 GLU 2 8.378 0.633 -7.292 11 HG3 GLU 2 HG3 GLU 2 7.901 1.113 -5.663 12 H PHE 3 H PHE 3 5.282 -3.052 -7.044 13 HA PHE 3 HA PHE 3 5.973 -5.251 -5.278 14 HB2 PHE 3 HB2 PHE 3 3.794 -5.002 -7.363 15 HB3 PHE 3 HB3 PHE 3 3.951 -6.301 -6.185 16 HD1 PHE 3 HD1 PHE 3 2.677 -3.027 -6.836 17 HD2 PHE 3 HD2 PHE 3 3.770 -5.717 -3.731 18 HE1 PHE 3 HE1 PHE 3 1.353 -1.712 -5.239 19 HE2 PHE 3 HE2 PHE 3 2.445 -4.408 -2.130 20 HZ PHE 3 HZ PHE 3 1.237 -2.401 -2.881 21 H GLY 4 H GLY 4 6.964 -4.126 -8.251 22 HA2 GLY 4 HA2 GLY 4 8.239 -5.057 -9.918 23 HA3 GLY 4 HA3 GLY 4 8.462 -6.443 -8.858 24 H SER 5 H SER 5 5.315 -5.367 -9.797 25 HA SER 5 HA SER 5 5.051 -7.713 -11.531 26 HB2 SER 5 HB2 SER 5 3.094 -6.767 -9.423 27 HB3 SER 5 HB3 SER 5 2.812 -8.094 -10.550 28 HG SER 5 HG SER 5 4.863 -7.952 -8.579 29 H MET 6 H MET 6 3.363 -7.581 -13.090 30 HA MET 6 HA MET 6 3.199 -5.058 -14.372 31 HB2 MET 6 HB2 MET 6 1.670 -7.617 -14.864 32 HB3 MET 6 HB3 MET 6 1.643 -6.220 -15.926 33 HG2 MET 6 HG2 MET 6 4.039 -7.923 -15.277 34 HG3 MET 6 HG3 MET 6 3.126 -7.922 -16.782 35 HE1 MET 6 HE1 MET 6 5.320 -5.679 -14.378 36 HE2 MET 6 HE2 MET 6 6.510 -5.163 -15.573 37 HE3 MET 6 HE3 MET 6 6.286 -6.880 -15.235 38 H VAL 7 H VAL 7 1.245 -6.756 -12.127 39 HA VAL 7 HA VAL 7 -0.712 -4.570 -12.195 40 HB VAL 7 HB VAL 7 -2.478 -6.140 -11.475 41 HG11 VAL 7 HG11 VAL 7 -2.799 -7.295 -13.616 42 HG12 VAL 7 HG12 VAL 7 -1.125 -6.946 -14.046 43 HG13 VAL 7 HG13 VAL 7 -2.276 -5.626 -13.840 44 HG21 VAL 7 HG21 VAL 7 -2.124 -8.559 -11.617 45 HG22 VAL 7 HG22 VAL 7 -1.069 -7.827 -10.410 46 HG23 VAL 7 HG23 VAL 7 -0.420 -8.291 -11.983 47 H LYS 8 H LYS 8 -1.495 -3.917 -10.203 48 HA LYS 8 HA LYS 8 0.290 -4.559 -7.992 49 HB2 LYS 8 HB2 LYS 8 -1.799 -2.388 -8.268 50 HB3 LYS 8 HB3 LYS 8 -0.667 -2.557 -6.931 51 HG2 LYS 8 HG2 LYS 8 1.206 -2.206 -8.464 52 HG3 LYS 8 HG3 LYS 8 0.075 -2.042 -9.807 53 HD2 LYS 8 HD2 LYS 8 -0.945 -0.104 -8.640 54 HD3 LYS 8 HD3 LYS 8 0.300 -0.239 -7.397 55 HE2 LYS 8 HE2 LYS 8 0.787 0.264 -10.337 56 HE3 LYS 8 HE3 LYS 8 0.841 1.483 -9.068 57 HZ1 LYS 8 HZ1 LYS 8 3.049 0.777 -9.592 58 HZ2 LYS 8 HZ2 LYS 8 2.651 -0.846 -9.367 59 HZ3 LYS 8 HZ3 LYS 8 2.666 0.210 -8.045 60 H GLU 9 H GLU 9 -0.284 -5.883 -6.421 61 HA GLU 9 HA GLU 9 -3.113 -6.291 -5.799 62 HB2 GLU 9 HB2 GLU 9 -1.147 -8.462 -6.434 63 HB3 GLU 9 HB3 GLU 9 -2.678 -8.743 -5.615 64 HG2 GLU 9 HG2 GLU 9 -3.839 -7.821 -7.473 65 HG3 GLU 9 HG3 GLU 9 -2.322 -7.572 -8.344 66 H THR 10 H THR 10 -3.568 -7.009 -3.751 67 HA THR 10 HA THR 10 -3.338 -7.258 -1.549 68 HB THR 10 HB THR 10 -1.473 -8.520 -0.607 69 HG1 THR 10 HG1 THR 10 0.206 -7.437 -1.907 70 HG21 THR 10 HG21 THR 10 -1.536 -10.522 -2.052 71 HG22 THR 10 HG22 THR 10 -2.255 -9.548 -3.335 72 HG23 THR 10 HG23 THR 10 -3.131 -9.805 -1.827 73 H LYS 11 H LYS 11 -2.646 -4.900 -2.936 74 HA LYS 11 HA LYS 11 -0.406 -3.534 -1.989 75 HB2 LYS 11 HB2 LYS 11 -3.134 -2.460 -2.672 76 HB3 LYS 11 HB3 LYS 11 -1.753 -1.439 -2.311 77 HG2 LYS 11 HG2 LYS 11 -0.567 -2.364 -4.232 78 HG3 LYS 11 HG3 LYS 11 -1.955 -3.401 -4.579 79 HD2 LYS 11 HD2 LYS 11 -2.062 -1.452 -6.004 80 HD3 LYS 11 HD3 LYS 11 -3.356 -1.365 -4.807 81 HE2 LYS 11 HE2 LYS 11 -2.019 0.169 -3.457 82 HE3 LYS 11 HE3 LYS 11 -0.699 0.055 -4.617 83 HZ1 LYS 11 HZ1 LYS 11 -2.116 1.067 -6.279 84 HZ2 LYS 11 HZ2 LYS 11 -1.999 2.058 -4.921 85 HZ3 LYS 11 HZ3 LYS 11 -3.399 1.155 -5.181 86 H PHE 12 H PHE 12 -3.580 -3.873 -0.478 87 HA PHE 12 HA PHE 12 -2.930 -2.010 1.570 88 HB2 PHE 12 HB2 PHE 12 -5.251 -3.838 1.131 89 HB3 PHE 12 HB3 PHE 12 -5.019 -3.059 2.699 90 HD1 PHE 12 HD1 PHE 12 -6.773 -2.743 -0.225 91 HD2 PHE 12 HD2 PHE 12 -4.268 -0.455 2.330 92 HE1 PHE 12 HE1 PHE 12 -7.815 -0.668 -1.054 93 HE2 PHE 12 HE2 PHE 12 -5.302 1.611 1.522 94 HZ PHE 12 HZ PHE 12 -7.074 1.517 -0.156 95 H TYR 13 H TYR 13 -2.619 -5.453 1.214 96 HA TYR 13 HA TYR 13 -2.071 -5.962 3.984 97 HB2 TYR 13 HB2 TYR 13 -1.284 -7.549 1.520 98 HB3 TYR 13 HB3 TYR 13 -1.091 -8.106 3.179 99 HD1 TYR 13 HD1 TYR 13 -3.245 -7.992 0.354 100 HD2 TYR 13 HD2 TYR 13 -3.249 -8.312 4.591 101 HE1 TYR 13 HE1 TYR 13 -5.503 -8.956 0.273 102 HE2 TYR 13 HE2 TYR 13 -5.505 -9.277 4.523 103 HH TYR 13 HH TYR 13 -6.945 -10.375 1.657 104 H ASP 14 H ASP 14 -0.130 -5.493 1.086 105 HA ASP 14 HA ASP 14 2.404 -5.518 2.219 106 HB2 ASP 14 HB2 ASP 14 1.259 -4.233 -0.216 107 HB3 ASP 14 HB3 ASP 14 2.928 -3.924 0.234 108 H ILE 15 H ILE 15 0.215 -2.795 1.782 109 HA ILE 15 HA ILE 15 1.966 -0.799 2.682 110 HB ILE 15 HB ILE 15 -1.026 -0.982 2.599 111 HG12 ILE 15 HG12 ILE 15 0.883 0.754 1.027 112 HG13 ILE 15 HG13 ILE 15 0.272 -0.828 0.488 113 HG21 ILE 15 HG21 ILE 15 0.578 1.462 3.392 114 HG22 ILE 15 HG22 ILE 15 -0.455 0.521 4.468 115 HG23 ILE 15 HG23 ILE 15 -1.165 1.416 3.125 116 HD11 ILE 15 HD11 ILE 15 -0.950 1.004 -0.540 117 HD12 ILE 15 HD12 ILE 15 -1.388 1.625 1.050 118 HD13 ILE 15 HD13 ILE 15 -2.001 0.061 0.515 119 H LEU 16 H LEU 16 -0.551 -2.539 4.524 120 HA LEU 16 HA LEU 16 0.244 -1.482 7.015 121 HB2 LEU 16 HB2 LEU 16 -1.289 -3.990 6.380 122 HB3 LEU 16 HB3 LEU 16 -1.002 -3.439 8.018 123 HG LEU 16 HG LEU 16 -2.603 -1.957 5.910 124 HD11 LEU 16 HD11 LEU 16 -3.474 -3.399 8.401 125 HD12 LEU 16 HD12 LEU 16 -3.688 -3.975 6.749 126 HD13 LEU 16 HD13 LEU 16 -4.509 -2.507 7.284 127 HD21 LEU 16 HD21 LEU 16 -1.477 -0.410 7.418 128 HD22 LEU 16 HD22 LEU 16 -2.063 -1.320 8.810 129 HD23 LEU 16 HD23 LEU 16 -3.204 -0.469 7.769 130 H GLY 17 H GLY 17 1.519 -4.179 5.198 131 HA2 GLY 17 HA2 GLY 17 3.652 -5.115 5.616 132 HA3 GLY 17 HA3 GLY 17 3.567 -4.517 7.269 133 H VAL 18 H VAL 18 0.765 -5.904 6.197 134 HA VAL 18 HA VAL 18 1.188 -8.285 7.871 135 HB VAL 18 HB VAL 18 -1.273 -8.606 7.732 136 HG11 VAL 18 HG11 VAL 18 -0.316 -7.378 9.584 137 HG12 VAL 18 HG12 VAL 18 -1.890 -6.717 9.137 138 HG13 VAL 18 HG13 VAL 18 -0.413 -5.882 8.656 139 HG21 VAL 18 HG21 VAL 18 -1.667 -7.551 5.571 140 HG22 VAL 18 HG22 VAL 18 -1.236 -5.983 6.247 141 HG23 VAL 18 HG23 VAL 18 -2.679 -6.822 6.818 142 HA PRO 19 HA PRO 19 1.292 -11.030 4.363 143 HB2 PRO 19 HB2 PRO 19 0.004 -13.204 5.348 144 HB3 PRO 19 HB3 PRO 19 1.646 -12.773 5.863 145 HG2 PRO 19 HG2 PRO 19 -0.978 -12.199 7.191 146 HG3 PRO 19 HG3 PRO 19 0.512 -12.839 7.912 147 HD2 PRO 19 HD2 PRO 19 -0.152 -10.247 8.137 148 HD3 PRO 19 HD3 PRO 19 1.540 -10.738 7.916 149 H VAL 20 H VAL 20 -0.147 -12.088 2.793 150 HA VAL 20 HA VAL 20 -2.558 -10.774 2.320 151 HB VAL 20 HB VAL 20 -1.594 -13.497 1.385 152 HG11 VAL 20 HG11 VAL 20 -3.802 -11.774 0.273 153 HG12 VAL 20 HG12 VAL 20 -3.997 -13.315 1.109 154 HG13 VAL 20 HG13 VAL 20 -3.188 -13.257 -0.457 155 HG21 VAL 20 HG21 VAL 20 -1.415 -10.786 0.082 156 HG22 VAL 20 HG22 VAL 20 -0.938 -12.311 -0.664 157 HG23 VAL 20 HG23 VAL 20 -0.078 -11.716 0.755 158 H THR 21 H THR 21 -1.680 -13.627 4.050 159 HA THR 21 HA THR 21 -4.397 -14.536 4.537 160 HB THR 21 HB THR 21 -1.930 -15.658 5.844 161 HG1 THR 21 HG1 THR 21 -2.443 -16.947 3.544 162 HG21 THR 21 HG21 THR 21 -4.460 -16.929 4.756 163 HG22 THR 21 HG22 THR 21 -4.134 -16.590 6.453 164 HG23 THR 21 HG23 THR 21 -3.159 -17.779 5.590 165 H ALA 22 H ALA 22 -3.277 -11.910 5.626 166 HA ALA 22 HA ALA 22 -2.676 -12.078 8.340 167 HB1 ALA 22 HB1 ALA 22 -3.997 -9.773 6.944 168 HB2 ALA 22 HB2 ALA 22 -2.271 -10.123 6.905 169 HB3 ALA 22 HB3 ALA 22 -3.055 -9.722 8.435 170 H THR 23 H THR 23 -3.769 -11.730 10.158 171 HA THR 23 HA THR 23 -6.673 -12.132 10.087 172 HB THR 23 HB THR 23 -6.399 -12.807 12.475 173 HG1 THR 23 HG1 THR 23 -3.610 -12.640 11.855 174 HG21 THR 23 HG21 THR 23 -6.417 -14.520 10.717 175 HG22 THR 23 HG22 THR 23 -5.336 -14.979 12.032 176 HG23 THR 23 HG23 THR 23 -4.673 -14.346 10.526 177 H ASP 24 H ASP 24 -7.800 -11.018 12.007 178 HA ASP 24 HA ASP 24 -7.646 -8.274 11.728 179 HB2 ASP 24 HB2 ASP 24 -8.823 -9.964 13.928 180 HB3 ASP 24 HB3 ASP 24 -9.036 -8.222 13.836 181 H VAL 25 H VAL 25 -6.084 -10.354 14.134 182 HA VAL 25 HA VAL 25 -5.353 -8.309 15.936 183 HB VAL 25 HB VAL 25 -4.130 -11.021 15.402 184 HG11 VAL 25 HG11 VAL 25 -3.058 -10.808 17.604 185 HG12 VAL 25 HG12 VAL 25 -3.633 -9.145 17.711 186 HG13 VAL 25 HG13 VAL 25 -2.474 -9.599 16.460 187 HG21 VAL 25 HG21 VAL 25 -6.406 -11.177 16.168 188 HG22 VAL 25 HG22 VAL 25 -6.072 -10.071 17.499 189 HG23 VAL 25 HG23 VAL 25 -5.321 -11.668 17.469 190 H GLU 26 H GLU 26 -3.759 -9.792 13.175 191 HA GLU 26 HA GLU 26 -1.238 -8.484 13.439 192 HB2 GLU 26 HB2 GLU 26 -2.638 -9.766 11.088 193 HB3 GLU 26 HB3 GLU 26 -0.963 -9.217 11.061 194 HG2 GLU 26 HG2 GLU 26 -0.328 -10.826 12.679 195 HG3 GLU 26 HG3 GLU 26 -2.007 -11.253 13.003 196 H ILE 27 H ILE 27 -4.199 -7.884 11.792 197 HA ILE 27 HA ILE 27 -3.429 -5.669 10.267 198 HB ILE 27 HB ILE 27 -6.103 -6.686 11.236 199 HG12 ILE 27 HG12 ILE 27 -4.905 -6.612 8.461 200 HG13 ILE 27 HG13 ILE 27 -4.723 -7.972 9.562 201 HG21 ILE 27 HG21 ILE 27 -5.580 -4.397 9.314 202 HG22 ILE 27 HG22 ILE 27 -6.287 -4.251 10.924 203 HG23 ILE 27 HG23 ILE 27 -7.156 -5.114 9.654 204 HD11 ILE 27 HD11 ILE 27 -7.344 -6.903 8.551 205 HD12 ILE 27 HD12 ILE 27 -7.104 -8.334 9.555 206 HD13 ILE 27 HD13 ILE 27 -6.492 -8.303 7.902 207 H LYS 28 H LYS 28 -4.797 -5.969 13.535 208 HA LYS 28 HA LYS 28 -5.304 -3.244 14.008 209 HB2 LYS 28 HB2 LYS 28 -4.473 -5.378 15.992 210 HB3 LYS 28 HB3 LYS 28 -5.161 -3.821 16.412 211 HG2 LYS 28 HG2 LYS 28 -6.554 -6.002 14.881 212 HG3 LYS 28 HG3 LYS 28 -6.774 -5.635 16.590 213 HD2 LYS 28 HD2 LYS 28 -7.557 -3.379 15.960 214 HD3 LYS 28 HD3 LYS 28 -7.399 -3.851 14.264 215 HE2 LYS 28 HE2 LYS 28 -9.001 -5.650 14.602 216 HE3 LYS 28 HE3 LYS 28 -9.166 -5.193 16.295 217 HZ1 LYS 28 HZ1 LYS 28 -10.968 -4.288 15.061 218 HZ2 LYS 28 HZ2 LYS 28 -9.935 -3.581 13.931 219 HZ3 LYS 28 HZ3 LYS 28 -9.967 -3.002 15.526 220 H LYS 29 H LYS 29 -2.502 -5.247 14.694 221 HA LYS 29 HA LYS 29 -1.062 -3.077 15.862 222 HB2 LYS 29 HB2 LYS 29 0.869 -4.578 15.962 223 HB3 LYS 29 HB3 LYS 29 -0.581 -5.279 16.656 224 HG2 LYS 29 HG2 LYS 29 -0.908 -6.625 14.686 225 HG3 LYS 29 HG3 LYS 29 0.516 -5.910 13.920 226 HD2 LYS 29 HD2 LYS 29 1.912 -6.754 15.767 227 HD3 LYS 29 HD3 LYS 29 0.486 -7.485 16.498 228 HE2 LYS 29 HE2 LYS 29 0.221 -8.929 14.559 229 HE3 LYS 29 HE3 LYS 29 1.620 -8.174 13.791 230 HZ1 LYS 29 HZ1 LYS 29 1.689 -9.625 16.373 231 HZ2 LYS 29 HZ2 LYS 29 3.018 -9.022 15.523 232 HZ3 LYS 29 HZ3 LYS 29 2.117 -10.304 14.890 233 H ALA 30 H ALA 30 -0.971 -4.555 12.679 234 HA ALA 30 HA ALA 30 1.172 -3.082 11.716 235 HB1 ALA 30 HB1 ALA 30 0.190 -5.010 10.570 236 HB2 ALA 30 HB2 ALA 30 0.338 -3.602 9.520 237 HB3 ALA 30 HB3 ALA 30 -1.234 -4.041 10.193 238 H TYR 31 H TYR 31 -2.292 -2.390 11.851 239 HA TYR 31 HA TYR 31 -2.180 0.055 10.483 240 HB2 TYR 31 HB2 TYR 31 -4.310 -0.925 10.723 241 HB3 TYR 31 HB3 TYR 31 -4.125 -1.104 12.468 242 HD1 TYR 31 HD1 TYR 31 -4.268 1.570 9.842 243 HD2 TYR 31 HD2 TYR 31 -5.125 0.440 13.850 244 HE1 TYR 31 HE1 TYR 31 -5.415 3.722 10.208 245 HE2 TYR 31 HE2 TYR 31 -6.268 2.575 14.217 246 HH TYR 31 HH TYR 31 -6.243 4.853 13.280 247 H ARG 32 H ARG 32 -2.125 -0.711 13.938 248 HA ARG 32 HA ARG 32 -1.841 2.017 14.573 249 HB2 ARG 32 HB2 ARG 32 -1.386 1.395 16.891 250 HB3 ARG 32 HB3 ARG 32 -2.831 0.650 16.237 251 HG2 ARG 32 HG2 ARG 32 -1.658 -1.413 15.952 252 HG3 ARG 32 HG3 ARG 32 -0.171 -0.698 16.588 253 HD2 ARG 32 HD2 ARG 32 -1.311 -1.934 18.345 254 HD3 ARG 32 HD3 ARG 32 -1.355 -0.199 18.685 255 HE ARG 32 HE ARG 32 -3.676 -0.984 17.264 256 HH11 ARG 32 HH11 ARG 32 -2.245 -1.180 20.460 257 HH12 ARG 32 HH12 ARG 32 -3.767 -1.220 21.278 258 HH21 ARG 32 HH21 ARG 32 -5.696 -1.048 18.353 259 HH22 ARG 32 HH22 ARG 32 -5.731 -1.161 20.078 260 H LYS 33 H LYS 33 0.602 -0.466 14.050 261 HA LYS 33 HA LYS 33 2.712 1.248 14.980 262 HB2 LYS 33 HB2 LYS 33 4.273 -0.280 14.067 263 HB3 LYS 33 HB3 LYS 33 2.944 -1.281 14.626 264 HG2 LYS 33 HG2 LYS 33 2.115 -1.430 12.314 265 HG3 LYS 33 HG3 LYS 33 3.487 -0.433 11.803 266 HD2 LYS 33 HD2 LYS 33 5.041 -2.138 12.608 267 HD3 LYS 33 HD3 LYS 33 3.685 -3.139 13.130 268 HE2 LYS 33 HE2 LYS 33 2.914 -3.303 10.809 269 HE3 LYS 33 HE3 LYS 33 4.258 -2.289 10.291 270 HZ1 LYS 33 HZ1 LYS 33 5.792 -3.978 11.045 271 HZ2 LYS 33 HZ2 LYS 33 4.702 -4.648 9.944 272 HZ3 LYS 33 HZ3 LYS 33 4.517 -4.942 11.593 273 H CYS 34 H CYS 34 1.227 0.663 11.828 274 HA CYS 34 HA CYS 34 2.984 2.353 10.419 275 HB2 CYS 34 HB2 CYS 34 1.445 0.797 9.293 276 HB3 CYS 34 HB3 CYS 34 0.077 1.776 9.816 277 HG CYS 34 HG CYS 34 0.836 4.022 8.323 278 H ALA 35 H ALA 35 -0.162 3.022 11.932 279 HA ALA 35 HA ALA 35 -0.256 5.747 11.234 280 HB1 ALA 35 HB1 ALA 35 -1.555 4.330 13.560 281 HB2 ALA 35 HB2 ALA 35 -2.222 4.475 11.934 282 HB3 ALA 35 HB3 ALA 35 -2.003 5.914 12.930 283 H LEU 36 H LEU 36 0.805 4.145 14.223 284 HA LEU 36 HA LEU 36 1.470 6.523 15.594 285 HB2 LEU 36 HB2 LEU 36 2.501 3.720 15.978 286 HB3 LEU 36 HB3 LEU 36 2.907 5.055 17.034 287 HG LEU 36 HG LEU 36 0.117 3.975 16.594 288 HD11 LEU 36 HD11 LEU 36 1.985 3.647 18.928 289 HD12 LEU 36 HD12 LEU 36 1.517 2.392 17.780 290 HD13 LEU 36 HD13 LEU 36 0.311 3.100 18.853 291 HD21 LEU 36 HD21 LEU 36 0.106 6.351 17.138 292 HD22 LEU 36 HD22 LEU 36 1.165 6.055 18.517 293 HD23 LEU 36 HD23 LEU 36 -0.471 5.399 18.505 294 H LYS 37 H LYS 37 3.391 4.421 13.548 295 HA LYS 37 HA LYS 37 5.854 5.713 14.038 296 HB2 LYS 37 HB2 LYS 37 4.901 3.915 11.825 297 HB3 LYS 37 HB3 LYS 37 6.555 4.526 11.914 298 HG2 LYS 37 HG2 LYS 37 6.943 3.348 13.962 299 HG3 LYS 37 HG3 LYS 37 5.233 2.940 14.111 300 HD2 LYS 37 HD2 LYS 37 6.450 1.020 13.343 301 HD3 LYS 37 HD3 LYS 37 5.413 1.612 12.048 302 HE2 LYS 37 HE2 LYS 37 7.324 2.761 11.032 303 HE3 LYS 37 HE3 LYS 37 8.363 2.180 12.332 304 HZ1 LYS 37 HZ1 LYS 37 7.871 -0.090 11.614 305 HZ2 LYS 37 HZ2 LYS 37 8.620 0.814 10.406 306 HZ3 LYS 37 HZ3 LYS 37 6.960 0.515 10.322 307 H TYR 38 H TYR 38 3.390 6.206 11.487 308 HA TYR 38 HA TYR 38 4.987 8.522 10.556 309 HB2 TYR 38 HB2 TYR 38 3.293 6.582 9.009 310 HB3 TYR 38 HB3 TYR 38 3.895 8.080 8.310 311 HD1 TYR 38 HD1 TYR 38 4.783 4.734 9.522 312 HD2 TYR 38 HD2 TYR 38 6.290 8.351 7.859 313 HE1 TYR 38 HE1 TYR 38 6.909 3.607 9.007 314 HE2 TYR 38 HE2 TYR 38 8.416 7.232 7.338 315 HH TYR 38 HH TYR 38 8.805 3.833 7.516 316 H HIS 39 H HIS 39 2.554 8.377 12.485 317 HA HIS 39 HA HIS 39 0.438 9.745 11.258 318 HB2 HIS 39 HB2 HIS 39 -0.222 10.442 13.544 319 HB3 HIS 39 HB3 HIS 39 0.146 8.731 13.436 320 HD2 HIS 39 HD2 HIS 39 3.544 9.708 13.745 321 HE1 HIS 39 HE1 HIS 39 2.148 10.170 17.717 322 HE2 HIS 39 HE2 HIS 39 4.062 9.479 16.269 323 HA PRO 40 HA PRO 40 1.961 13.727 10.296 324 HB2 PRO 40 HB2 PRO 40 -0.341 15.192 10.498 325 HB3 PRO 40 HB3 PRO 40 0.037 14.116 9.145 326 HG2 PRO 40 HG2 PRO 40 -1.656 13.595 11.562 327 HG3 PRO 40 HG3 PRO 40 -1.983 13.201 9.864 328 HD2 PRO 40 HD2 PRO 40 -1.102 11.340 11.570 329 HD3 PRO 40 HD3 PRO 40 -0.553 11.373 9.881 330 H ASP 41 H ASP 41 0.435 13.280 13.415 331 HA ASP 41 HA ASP 41 1.003 15.948 14.302 332 HB2 ASP 41 HB2 ASP 41 0.132 13.515 15.849 333 HB3 ASP 41 HB3 ASP 41 0.425 15.082 16.598 334 H LYS 42 H LYS 42 3.002 13.409 13.772 335 HA LYS 42 HA LYS 42 5.055 14.694 15.382 336 HB2 LYS 42 HB2 LYS 42 4.512 11.734 15.417 337 HB3 LYS 42 HB3 LYS 42 6.064 12.403 15.882 338 HG2 LYS 42 HG2 LYS 42 4.913 13.751 17.604 339 HG3 LYS 42 HG3 LYS 42 3.409 12.946 17.174 340 HD2 LYS 42 HD2 LYS 42 4.311 11.825 19.089 341 HD3 LYS 42 HD3 LYS 42 4.500 10.764 17.694 342 HE2 LYS 42 HE2 LYS 42 6.835 11.459 17.475 343 HE3 LYS 42 HE3 LYS 42 6.647 12.542 18.852 344 HZ1 LYS 42 HZ1 LYS 42 6.413 9.584 18.906 345 HZ2 LYS 42 HZ2 LYS 42 6.181 10.600 20.236 346 HZ3 LYS 42 HZ3 LYS 42 7.699 10.496 19.510 347 H ASN 43 H ASN 43 4.052 13.028 12.586 348 HA ASN 43 HA ASN 43 6.697 13.387 11.385 349 HB2 ASN 43 HB2 ASN 43 4.475 11.485 10.639 350 HB3 ASN 43 HB3 ASN 43 5.978 11.654 9.755 351 HD21 ASN 43 HD21 ASN 43 4.434 10.398 12.493 352 HD22 ASN 43 HD22 ASN 43 5.768 9.471 13.102 353 HA PRO 44 HA PRO 44 4.188 16.624 9.472 354 HB2 PRO 44 HB2 PRO 44 6.235 18.105 8.558 355 HB3 PRO 44 HB3 PRO 44 5.771 18.085 10.264 356 HG2 PRO 44 HG2 PRO 44 7.969 16.586 8.887 357 HG3 PRO 44 HG3 PRO 44 8.017 17.475 10.421 358 HD2 PRO 44 HD2 PRO 44 7.756 14.777 10.283 359 HD3 PRO 44 HD3 PRO 44 7.036 15.756 11.597 360 H SER 45 H SER 45 6.399 14.448 7.947 361 HA SER 45 HA SER 45 6.436 15.487 5.343 362 HB2 SER 45 HB2 SER 45 6.529 12.607 6.036 363 HB3 SER 45 HB3 SER 45 7.255 13.406 4.660 364 HG SER 45 HG SER 45 8.713 14.450 6.007 365 H GLU 46 H GLU 46 5.263 15.245 3.689 366 HA GLU 46 HA GLU 46 2.529 14.740 3.829 367 HB2 GLU 46 HB2 GLU 46 4.377 14.782 1.445 368 HB3 GLU 46 HB3 GLU 46 2.630 14.685 1.312 369 HG2 GLU 46 HG2 GLU 46 2.401 16.840 2.378 370 HG3 GLU 46 HG3 GLU 46 4.146 16.929 2.612 371 H GLU 47 H GLU 47 5.192 12.764 2.771 372 HA GLU 47 HA GLU 47 3.799 10.567 1.727 373 HB2 GLU 47 HB2 GLU 47 6.448 10.747 3.103 374 HB3 GLU 47 HB3 GLU 47 5.897 9.336 2.206 375 HG2 GLU 47 HG2 GLU 47 5.766 10.701 0.173 376 HG3 GLU 47 HG3 GLU 47 6.378 12.083 1.078 377 H ALA 48 H ALA 48 4.914 11.324 4.941 378 HA ALA 48 HA ALA 48 4.293 8.854 6.158 379 HB1 ALA 48 HB1 ALA 48 5.764 10.497 7.225 380 HB2 ALA 48 HB2 ALA 48 4.418 10.082 8.287 381 HB3 ALA 48 HB3 ALA 48 4.404 11.603 7.398 382 H ALA 49 H ALA 49 2.585 11.786 5.774 383 HA ALA 49 HA ALA 49 0.188 11.051 7.068 384 HB1 ALA 49 HB1 ALA 49 0.555 13.049 4.834 385 HB2 ALA 49 HB2 ALA 49 0.749 13.383 6.554 386 HB3 ALA 49 HB3 ALA 49 -0.835 12.945 5.914 387 H GLU 50 H GLU 50 1.264 10.777 3.735 388 HA GLU 50 HA GLU 50 -1.084 9.807 2.545 389 HB2 GLU 50 HB2 GLU 50 1.784 9.065 1.894 390 HB3 GLU 50 HB3 GLU 50 0.403 8.834 0.832 391 HG2 GLU 50 HG2 GLU 50 0.084 11.312 0.868 392 HG3 GLU 50 HG3 GLU 50 1.616 11.414 1.757 393 H LYS 51 H LYS 51 1.585 8.198 4.105 394 HA LYS 51 HA LYS 51 0.747 5.529 3.790 395 HB2 LYS 51 HB2 LYS 51 2.473 6.866 5.853 396 HB3 LYS 51 HB3 LYS 51 2.213 5.127 5.806 397 HG2 LYS 51 HG2 LYS 51 3.241 4.978 3.648 398 HG3 LYS 51 HG3 LYS 51 3.363 6.738 3.545 399 HD2 LYS 51 HD2 LYS 51 5.497 5.772 4.179 400 HD3 LYS 51 HD3 LYS 51 4.828 6.749 5.496 401 HE2 LYS 51 HE2 LYS 51 5.767 4.674 6.350 402 HE3 LYS 51 HE3 LYS 51 4.029 4.702 6.606 403 HZ1 LYS 51 HZ1 LYS 51 5.464 3.242 4.437 404 HZ2 LYS 51 HZ2 LYS 51 3.785 3.288 4.615 405 HZ3 LYS 51 HZ3 LYS 51 4.735 2.543 5.790 406 H PHE 52 H PHE 52 0.182 7.886 6.349 407 HA PHE 52 HA PHE 52 -1.168 6.220 8.138 408 HB2 PHE 52 HB2 PHE 52 -0.406 8.487 8.732 409 HB3 PHE 52 HB3 PHE 52 -1.609 9.179 7.643 410 HD1 PHE 52 HD1 PHE 52 -0.990 7.881 10.942 411 HD2 PHE 52 HD2 PHE 52 -4.062 8.834 8.151 412 HE1 PHE 52 HE1 PHE 52 -2.657 7.852 12.755 413 HE2 PHE 52 HE2 PHE 52 -5.727 8.796 9.949 414 HZ PHE 52 HZ PHE 52 -5.022 8.315 12.259 415 H LYS 53 H LYS 53 -2.432 8.303 5.550 416 HA LYS 53 HA LYS 53 -5.150 7.752 5.943 417 HB2 LYS 53 HB2 LYS 53 -3.629 8.576 3.475 418 HB3 LYS 53 HB3 LYS 53 -5.380 8.479 3.532 419 HG2 LYS 53 HG2 LYS 53 -3.678 10.246 5.282 420 HG3 LYS 53 HG3 LYS 53 -4.545 10.767 3.834 421 HD2 LYS 53 HD2 LYS 53 -5.840 9.575 6.290 422 HD3 LYS 53 HD3 LYS 53 -5.744 11.299 5.936 423 HE2 LYS 53 HE2 LYS 53 -7.013 10.952 3.875 424 HE3 LYS 53 HE3 LYS 53 -7.107 9.226 4.219 425 HZ1 LYS 53 HZ1 LYS 53 -9.125 10.368 4.861 426 HZ2 LYS 53 HZ2 LYS 53 -8.261 11.384 5.896 427 HZ3 LYS 53 HZ3 LYS 53 -8.354 9.732 6.222 428 H GLU 54 H GLU 54 -2.807 6.215 3.806 429 HA GLU 54 HA GLU 54 -4.684 4.403 2.719 430 HB2 GLU 54 HB2 GLU 54 -1.680 4.336 2.753 431 HB3 GLU 54 HB3 GLU 54 -2.676 3.165 1.888 432 HG2 GLU 54 HG2 GLU 54 -3.720 5.011 0.651 433 HG3 GLU 54 HG3 GLU 54 -2.632 6.133 1.455 434 H ALA 55 H ALA 55 -2.546 4.222 5.476 435 HA ALA 55 HA ALA 55 -2.932 1.467 6.040 436 HB1 ALA 55 HB1 ALA 55 -2.323 3.741 7.936 437 HB2 ALA 55 HB2 ALA 55 -1.128 2.772 7.073 438 HB3 ALA 55 HB3 ALA 55 -2.156 2.022 8.296 439 H SER 56 H SER 56 -4.609 4.420 6.875 440 HA SER 56 HA SER 56 -6.465 3.334 8.693 441 HB2 SER 56 HB2 SER 56 -6.663 5.786 6.916 442 HB3 SER 56 HB3 SER 56 -7.747 5.441 8.260 443 HG SER 56 HG SER 56 -4.949 5.886 8.393 444 H ALA 57 H ALA 57 -6.603 3.854 5.170 445 HA ALA 57 HA ALA 57 -9.260 2.909 4.826 446 HB1 ALA 57 HB1 ALA 57 -8.134 4.276 3.136 447 HB2 ALA 57 HB2 ALA 57 -8.674 2.745 2.446 448 HB3 ALA 57 HB3 ALA 57 -6.975 2.980 2.848 449 H ALA 58 H ALA 58 -6.130 1.390 4.733 450 HA ALA 58 HA ALA 58 -6.855 -1.182 3.904 451 HB1 ALA 58 HB1 ALA 58 -4.752 -1.902 4.770 452 HB2 ALA 58 HB2 ALA 58 -4.684 -0.544 5.890 453 HB3 ALA 58 HB3 ALA 58 -4.511 -0.262 4.162 454 H TYR 59 H TYR 59 -6.566 0.261 7.102 455 HA TYR 59 HA TYR 59 -7.407 -1.933 8.611 456 HB2 TYR 59 HB2 TYR 59 -6.348 -0.017 9.618 457 HB3 TYR 59 HB3 TYR 59 -7.680 1.035 9.148 458 HD1 TYR 59 HD1 TYR 59 -6.719 -1.812 11.302 459 HD2 TYR 59 HD2 TYR 59 -9.568 1.251 10.563 460 HE1 TYR 59 HE1 TYR 59 -7.773 -2.274 13.462 461 HE2 TYR 59 HE2 TYR 59 -10.632 0.790 12.733 462 HH TYR 59 HH TYR 59 -10.819 -0.970 14.339 463 H GLU 60 H GLU 60 -9.183 0.563 6.954 464 HA GLU 60 HA GLU 60 -11.684 0.162 8.080 465 HB2 GLU 60 HB2 GLU 60 -10.907 1.133 5.339 466 HB3 GLU 60 HB3 GLU 60 -12.566 1.130 5.916 467 HG2 GLU 60 HG2 GLU 60 -10.254 2.622 7.120 468 HG3 GLU 60 HG3 GLU 60 -11.566 3.313 6.163 469 H ILE 61 H ILE 61 -10.162 -1.447 5.291 470 HA ILE 61 HA ILE 61 -12.575 -3.090 5.020 471 HB ILE 61 HB ILE 61 -11.425 -4.053 3.015 472 HG12 ILE 61 HG12 ILE 61 -9.499 -1.755 3.415 473 HG13 ILE 61 HG13 ILE 61 -9.112 -3.452 3.672 474 HG21 ILE 61 HG21 ILE 61 -13.131 -2.357 2.793 475 HG22 ILE 61 HG22 ILE 61 -11.862 -2.080 1.599 476 HG23 ILE 61 HG23 ILE 61 -11.939 -1.085 3.053 477 HD11 ILE 61 HD11 ILE 61 -9.521 -3.906 1.320 478 HD12 ILE 61 HD12 ILE 61 -8.289 -2.663 1.535 479 HD13 ILE 61 HD13 ILE 61 -9.927 -2.211 1.062 480 H LEU 62 H LEU 62 -9.115 -3.533 5.469 481 HA LEU 62 HA LEU 62 -9.205 -6.282 5.724 482 HB2 LEU 62 HB2 LEU 62 -7.285 -4.251 6.743 483 HB3 LEU 62 HB3 LEU 62 -6.960 -5.990 6.795 484 HG LEU 62 HG LEU 62 -7.385 -4.280 4.351 485 HD11 LEU 62 HD11 LEU 62 -4.924 -5.640 5.425 486 HD12 LEU 62 HD12 LEU 62 -5.228 -3.904 5.343 487 HD13 LEU 62 HD13 LEU 62 -5.036 -4.838 3.859 488 HD21 LEU 62 HD21 LEU 62 -6.836 -7.234 4.567 489 HD22 LEU 62 HD22 LEU 62 -6.756 -6.301 3.074 490 HD23 LEU 62 HD23 LEU 62 -8.289 -6.467 3.926 491 H SER 63 H SER 63 -9.516 -3.804 8.283 492 HA SER 63 HA SER 63 -9.371 -5.707 10.403 493 HB2 SER 63 HB2 SER 63 -8.938 -3.255 10.683 494 HB3 SER 63 HB3 SER 63 -10.667 -2.988 10.494 495 HG SER 63 HG SER 63 -10.718 -4.736 12.265 496 H ASP 64 H ASP 64 -11.615 -5.399 8.082 497 HA ASP 64 HA ASP 64 -13.706 -6.499 9.804 498 HB2 ASP 64 HB2 ASP 64 -14.005 -4.654 7.433 499 HB3 ASP 64 HB3 ASP 64 -15.324 -5.684 7.970 500 HA PRO 65 HA PRO 65 -12.132 -10.028 7.587 501 HB2 PRO 65 HB2 PRO 65 -14.633 -11.096 8.815 502 HB3 PRO 65 HB3 PRO 65 -13.005 -11.796 8.782 503 HG2 PRO 65 HG2 PRO 65 -13.894 -10.608 10.948 504 HG3 PRO 65 HG3 PRO 65 -12.208 -10.334 10.436 505 HD2 PRO 65 HD2 PRO 65 -14.612 -8.567 10.232 506 HD3 PRO 65 HD3 PRO 65 -12.919 -8.127 10.526 507 H GLU 66 H GLU 66 -15.437 -8.929 7.385 508 HA GLU 66 HA GLU 66 -16.038 -10.653 5.145 509 HB2 GLU 66 HB2 GLU 66 -17.574 -8.372 6.377 510 HB3 GLU 66 HB3 GLU 66 -18.113 -9.189 4.919 511 HG2 GLU 66 HG2 GLU 66 -17.636 -10.526 7.571 512 HG3 GLU 66 HG3 GLU 66 -19.212 -10.039 6.939 513 H LYS 67 H LYS 67 -14.990 -7.364 5.665 514 HA LYS 67 HA LYS 67 -15.246 -6.543 2.963 515 HB2 LYS 67 HB2 LYS 67 -13.890 -5.525 5.438 516 HB3 LYS 67 HB3 LYS 67 -13.802 -4.653 3.892 517 HG2 LYS 67 HG2 LYS 67 -16.299 -5.282 5.474 518 HG3 LYS 67 HG3 LYS 67 -15.487 -3.717 5.400 519 HD2 LYS 67 HD2 LYS 67 -15.866 -3.745 2.918 520 HD3 LYS 67 HD3 LYS 67 -16.866 -5.179 3.154 521 HE2 LYS 67 HE2 LYS 67 -17.335 -2.468 4.389 522 HE3 LYS 67 HE3 LYS 67 -18.222 -3.149 3.028 523 HZ1 LYS 67 HZ1 LYS 67 -18.989 -4.934 4.498 524 HZ2 LYS 67 HZ2 LYS 67 -19.453 -3.415 5.066 525 HZ3 LYS 67 HZ3 LYS 67 -18.168 -4.222 5.798 526 H ARG 68 H ARG 68 -12.943 -7.949 5.080 527 HA ARG 68 HA ARG 68 -10.579 -7.538 3.642 528 HB2 ARG 68 HB2 ARG 68 -11.107 -8.265 6.111 529 HB3 ARG 68 HB3 ARG 68 -11.081 -9.877 5.429 530 HG2 ARG 68 HG2 ARG 68 -8.759 -8.692 4.450 531 HG3 ARG 68 HG3 ARG 68 -8.880 -8.155 6.108 532 HD2 ARG 68 HD2 ARG 68 -7.626 -10.302 5.844 533 HD3 ARG 68 HD3 ARG 68 -8.981 -10.358 6.968 534 HE ARG 68 HE ARG 68 -10.240 -11.552 5.307 535 HH11 ARG 68 HH11 ARG 68 -6.796 -11.305 4.643 536 HH12 ARG 68 HH12 ARG 68 -6.780 -12.656 3.569 537 HH21 ARG 68 HH21 ARG 68 -10.228 -13.322 3.882 538 HH22 ARG 68 HH22 ARG 68 -8.741 -13.814 3.131 539 H ASP 69 H ASP 69 -12.908 -10.206 3.873 540 HA ASP 69 HA ASP 69 -11.541 -11.981 2.130 541 HB2 ASP 69 HB2 ASP 69 -14.425 -11.837 3.013 542 HB3 ASP 69 HB3 ASP 69 -13.818 -13.103 1.957 543 H ILE 70 H ILE 70 -14.010 -9.578 1.743 544 HA ILE 70 HA ILE 70 -14.558 -9.978 -0.981 545 HB ILE 70 HB ILE 70 -14.750 -7.607 0.845 546 HG12 ILE 70 HG12 ILE 70 -16.315 -9.390 1.301 547 HG13 ILE 70 HG13 ILE 70 -17.181 -7.999 0.659 548 HG21 ILE 70 HG21 ILE 70 -14.411 -6.715 -1.415 549 HG22 ILE 70 HG22 ILE 70 -16.084 -6.456 -0.918 550 HG23 ILE 70 HG23 ILE 70 -15.689 -7.757 -2.039 551 HD11 ILE 70 HD11 ILE 70 -18.057 -10.044 -0.268 552 HD12 ILE 70 HD12 ILE 70 -16.458 -10.507 -0.845 553 HD13 ILE 70 HD13 ILE 70 -17.272 -9.102 -1.536 554 H TYR 71 H TYR 71 -12.300 -7.785 0.695 555 HA TYR 71 HA TYR 71 -11.147 -6.695 -1.620 556 HB2 TYR 71 HB2 TYR 71 -10.696 -5.642 0.510 557 HB3 TYR 71 HB3 TYR 71 -9.905 -7.099 1.113 558 HD1 TYR 71 HD1 TYR 71 -9.612 -4.416 -1.447 559 HD2 TYR 71 HD2 TYR 71 -7.610 -7.476 0.725 560 HE1 TYR 71 HE1 TYR 71 -7.467 -3.662 -2.371 561 HE2 TYR 71 HE2 TYR 71 -5.460 -6.721 -0.186 562 HH TYR 71 HH TYR 71 -4.823 -5.477 -2.435 563 H ASP 72 H ASP 72 -10.253 -9.512 0.268 564 HA ASP 72 HA ASP 72 -7.869 -10.177 -0.998 565 HB2 ASP 72 HB2 ASP 72 -8.618 -11.229 1.077 566 HB3 ASP 72 HB3 ASP 72 -9.920 -12.037 0.207 567 H GLN 73 H GLN 73 -11.174 -11.011 -1.857 568 HA GLN 73 HA GLN 73 -10.550 -12.852 -3.906 569 HB2 GLN 73 HB2 GLN 73 -12.988 -11.148 -3.425 570 HB3 GLN 73 HB3 GLN 73 -12.882 -12.341 -4.712 571 HG2 GLN 73 HG2 GLN 73 -12.581 -14.108 -3.097 572 HG3 GLN 73 HG3 GLN 73 -12.572 -12.929 -1.786 573 HE21 GLN 73 HE21 GLN 73 -14.464 -12.032 -1.115 574 HE22 GLN 73 HE22 GLN 73 -16.018 -12.613 -1.607 575 H PHE 74 H PHE 74 -11.165 -9.369 -3.918 576 HA PHE 74 HA PHE 74 -10.767 -9.157 -6.751 577 HB2 PHE 74 HB2 PHE 74 -10.877 -7.080 -4.569 578 HB3 PHE 74 HB3 PHE 74 -10.619 -6.674 -6.261 579 HD1 PHE 74 HD1 PHE 74 -13.030 -7.622 -3.743 580 HD2 PHE 74 HD2 PHE 74 -12.402 -7.131 -7.918 581 HE1 PHE 74 HE1 PHE 74 -15.463 -7.604 -4.103 582 HE2 PHE 74 HE2 PHE 74 -14.834 -7.107 -8.283 583 HZ PHE 74 HZ PHE 74 -16.366 -7.345 -6.374 584 H GLY 75 H GLY 75 -8.727 -8.973 -3.936 585 HA2 GLY 75 HA2 GLY 75 -6.385 -9.307 -3.978 586 HA3 GLY 75 HA3 GLY 75 -6.372 -8.889 -5.684 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 9.919 4.608 -3.122 2 H2 GLY 1 HT2 GLY 1 10.941 5.700 -3.910 3 H3 GLY 1 HT3 GLY 1 11.016 4.052 -4.282 4 HA2 GLY 1 HA3 GLY 1 8.722 5.842 -4.810 5 HA3 GLY 1 HA2 GLY 1 9.869 5.255 -6.009 6 H GLU 2 H GLU 2 6.960 4.891 -5.809 7 HA GLU 2 HA GLU 2 6.796 2.008 -5.388 8 HB2 GLU 2 HB2 GLU 2 4.675 4.123 -5.672 9 HB3 GLU 2 HB3 GLU 2 4.316 2.402 -5.657 10 HG2 GLU 2 HG2 GLU 2 5.633 3.969 -3.457 11 HG3 GLU 2 HG3 GLU 2 3.980 3.353 -3.467 12 H PHE 3 H PHE 3 6.340 0.597 -6.949 13 HA PHE 3 HA PHE 3 5.946 1.649 -9.657 14 HB2 PHE 3 HB2 PHE 3 7.674 -0.698 -8.834 15 HB3 PHE 3 HB3 PHE 3 7.308 -0.252 -10.497 16 HD1 PHE 3 HD1 PHE 3 9.316 0.472 -7.568 17 HD2 PHE 3 HD2 PHE 3 8.197 1.839 -11.438 18 HE1 PHE 3 HE1 PHE 3 11.240 2.003 -7.579 19 HE2 PHE 3 HE2 PHE 3 10.121 3.369 -11.458 20 HZ PHE 3 HZ PHE 3 11.644 3.453 -9.528 21 H GLY 4 H GLY 4 4.602 0.464 -10.984 22 HA2 GLY 4 HA2 GLY 4 2.579 -1.003 -9.586 23 HA3 GLY 4 HA3 GLY 4 2.609 -0.635 -11.304 24 H SER 5 H SER 5 1.719 -3.022 -10.618 25 HA SER 5 HA SER 5 3.834 -4.785 -11.575 26 HB2 SER 5 HB2 SER 5 1.956 -5.433 -9.288 27 HB3 SER 5 HB3 SER 5 3.118 -6.545 -10.016 28 HG SER 5 HG SER 5 4.490 -4.416 -9.413 29 H MET 6 H MET 6 2.906 -6.817 -12.479 30 HA MET 6 HA MET 6 0.967 -6.310 -14.394 31 HB2 MET 6 HB2 MET 6 0.935 -8.710 -14.802 32 HB3 MET 6 HB3 MET 6 2.579 -8.154 -14.539 33 HG2 MET 6 HG2 MET 6 2.427 -8.972 -12.204 34 HG3 MET 6 HG3 MET 6 0.836 -9.628 -12.574 35 HE1 MET 6 HE1 MET 6 4.237 -9.510 -14.601 36 HE2 MET 6 HE2 MET 6 4.851 -11.124 -14.245 37 HE3 MET 6 HE3 MET 6 4.662 -9.948 -12.946 38 H VAL 7 H VAL 7 0.609 -7.549 -11.144 39 HA VAL 7 HA VAL 7 -2.279 -7.247 -11.339 40 HB VAL 7 HB VAL 7 -0.956 -9.741 -10.207 41 HG11 VAL 7 HG11 VAL 7 -2.843 -9.038 -8.830 42 HG12 VAL 7 HG12 VAL 7 -3.238 -10.507 -9.723 43 HG13 VAL 7 HG13 VAL 7 -3.871 -8.952 -10.262 44 HG21 VAL 7 HG21 VAL 7 -1.136 -9.752 -12.659 45 HG22 VAL 7 HG22 VAL 7 -2.864 -9.436 -12.525 46 HG23 VAL 7 HG23 VAL 7 -2.196 -10.950 -11.920 47 H LYS 8 H LYS 8 -3.015 -6.159 -9.596 48 HA LYS 8 HA LYS 8 -1.127 -5.530 -7.486 49 HB2 LYS 8 HB2 LYS 8 -4.038 -4.762 -7.830 50 HB3 LYS 8 HB3 LYS 8 -2.945 -4.100 -6.625 51 HG2 LYS 8 HG2 LYS 8 -1.615 -3.055 -8.339 52 HG3 LYS 8 HG3 LYS 8 -2.576 -3.824 -9.601 53 HD2 LYS 8 HD2 LYS 8 -3.295 -1.535 -9.357 54 HD3 LYS 8 HD3 LYS 8 -4.569 -2.600 -8.767 55 HE2 LYS 8 HE2 LYS 8 -4.332 -0.752 -7.245 56 HE3 LYS 8 HE3 LYS 8 -3.752 -2.214 -6.453 57 HZ1 LYS 8 HZ1 LYS 8 -2.280 -0.344 -6.064 58 HZ2 LYS 8 HZ2 LYS 8 -2.056 -0.136 -7.720 59 HZ3 LYS 8 HZ3 LYS 8 -1.483 -1.532 -6.964 60 H GLU 9 H GLU 9 -0.807 -7.403 -6.237 61 HA GLU 9 HA GLU 9 -3.186 -8.405 -4.860 62 HB2 GLU 9 HB2 GLU 9 -2.406 -9.914 -6.629 63 HB3 GLU 9 HB3 GLU 9 -0.793 -9.888 -5.949 64 HG2 GLU 9 HG2 GLU 9 -1.687 -10.960 -3.912 65 HG3 GLU 9 HG3 GLU 9 -3.259 -11.075 -4.710 66 H THR 10 H THR 10 -2.986 -8.495 -2.675 67 HA THR 10 HA THR 10 -2.130 -8.655 -0.608 68 HB THR 10 HB THR 10 0.638 -9.072 -1.732 69 HG1 THR 10 HG1 THR 10 -1.636 -10.678 -1.909 70 HG21 THR 10 HG21 THR 10 0.494 -8.866 0.664 71 HG22 THR 10 HG22 THR 10 0.790 -10.564 0.258 72 HG23 THR 10 HG23 THR 10 -0.833 -10.022 0.705 73 H LYS 11 H LYS 11 -1.918 -6.194 -2.437 74 HA LYS 11 HA LYS 11 0.302 -4.630 -1.755 75 HB2 LYS 11 HB2 LYS 11 -2.513 -3.788 -2.389 76 HB3 LYS 11 HB3 LYS 11 -1.133 -2.704 -2.320 77 HG2 LYS 11 HG2 LYS 11 -1.497 -5.009 -4.222 78 HG3 LYS 11 HG3 LYS 11 -1.725 -3.301 -4.584 79 HD2 LYS 11 HD2 LYS 11 0.873 -4.571 -3.707 80 HD3 LYS 11 HD3 LYS 11 0.460 -4.158 -5.368 81 HE2 LYS 11 HE2 LYS 11 0.266 -1.790 -4.709 82 HE3 LYS 11 HE3 LYS 11 0.733 -2.225 -3.067 83 HZ1 LYS 11 HZ1 LYS 11 2.400 -2.594 -5.491 84 HZ2 LYS 11 HZ2 LYS 11 2.850 -3.014 -3.919 85 HZ3 LYS 11 HZ3 LYS 11 2.608 -1.390 -4.322 86 H PHE 12 H PHE 12 -2.875 -4.857 -0.300 87 HA PHE 12 HA PHE 12 -2.261 -2.843 1.624 88 HB2 PHE 12 HB2 PHE 12 -4.634 -4.615 1.232 89 HB3 PHE 12 HB3 PHE 12 -4.453 -3.659 2.705 90 HD1 PHE 12 HD1 PHE 12 -6.049 -3.632 -0.307 91 HD2 PHE 12 HD2 PHE 12 -3.523 -1.155 2.042 92 HE1 PHE 12 HE1 PHE 12 -6.931 -1.636 -1.453 93 HE2 PHE 12 HE2 PHE 12 -4.401 0.835 0.917 94 HZ PHE 12 HZ PHE 12 -6.104 0.606 -0.820 95 H TYR 13 H TYR 13 -2.061 -6.309 1.593 96 HA TYR 13 HA TYR 13 -1.748 -6.551 4.434 97 HB2 TYR 13 HB2 TYR 13 -0.915 -8.439 2.217 98 HB3 TYR 13 HB3 TYR 13 -0.799 -8.813 3.933 99 HD1 TYR 13 HD1 TYR 13 -2.765 -9.204 1.073 100 HD2 TYR 13 HD2 TYR 13 -3.111 -8.504 5.247 101 HE1 TYR 13 HE1 TYR 13 -5.059 -10.081 1.025 102 HE2 TYR 13 HE2 TYR 13 -5.400 -9.380 5.213 103 HH TYR 13 HH TYR 13 -6.692 -11.027 2.497 104 H ASP 14 H ASP 14 0.470 -6.438 1.678 105 HA ASP 14 HA ASP 14 2.892 -6.440 3.054 106 HB2 ASP 14 HB2 ASP 14 2.093 -5.134 0.474 107 HB3 ASP 14 HB3 ASP 14 3.736 -5.075 1.075 108 H ILE 15 H ILE 15 0.820 -3.730 2.193 109 HA ILE 15 HA ILE 15 2.523 -1.711 3.106 110 HB ILE 15 HB ILE 15 -0.430 -1.857 2.685 111 HG12 ILE 15 HG12 ILE 15 1.689 -0.251 1.257 112 HG13 ILE 15 HG13 ILE 15 1.107 -1.854 0.750 113 HG21 ILE 15 HG21 ILE 15 -0.118 -0.251 4.509 114 HG22 ILE 15 HG22 ILE 15 -0.576 0.586 3.027 115 HG23 ILE 15 HG23 ILE 15 1.102 0.603 3.565 116 HD11 ILE 15 HD11 ILE 15 -0.548 0.658 0.952 117 HD12 ILE 15 HD12 ILE 15 -1.127 -0.927 0.437 118 HD13 ILE 15 HD13 ILE 15 0.068 -0.065 -0.533 119 H LEU 16 H LEU 16 -0.215 -3.226 4.840 120 HA LEU 16 HA LEU 16 0.411 -1.950 7.273 121 HB2 LEU 16 HB2 LEU 16 -1.182 -4.445 6.763 122 HB3 LEU 16 HB3 LEU 16 -0.999 -3.745 8.357 123 HG LEU 16 HG LEU 16 -2.352 -2.430 5.984 124 HD11 LEU 16 HD11 LEU 16 -3.481 -3.533 8.543 125 HD12 LEU 16 HD12 LEU 16 -3.607 -4.282 6.952 126 HD13 LEU 16 HD13 LEU 16 -4.380 -2.725 7.258 127 HD21 LEU 16 HD21 LEU 16 -3.008 -0.709 7.616 128 HD22 LEU 16 HD22 LEU 16 -1.263 -0.764 7.383 129 HD23 LEU 16 HD23 LEU 16 -1.981 -1.477 8.828 130 H GLY 17 H GLY 17 1.751 -4.836 5.852 131 HA2 GLY 17 HA2 GLY 17 3.798 -5.794 6.566 132 HA3 GLY 17 HA3 GLY 17 3.586 -5.020 8.134 133 H VAL 18 H VAL 18 0.880 -6.516 6.845 134 HA VAL 18 HA VAL 18 1.057 -8.700 8.810 135 HB VAL 18 HB VAL 18 -1.406 -8.897 8.528 136 HG11 VAL 18 HG11 VAL 18 -0.434 -6.152 9.268 137 HG12 VAL 18 HG12 VAL 18 -0.473 -7.562 10.326 138 HG13 VAL 18 HG13 VAL 18 -1.979 -6.862 9.734 139 HG21 VAL 18 HG21 VAL 18 -1.121 -6.403 6.860 140 HG22 VAL 18 HG22 VAL 18 -2.639 -7.151 7.358 141 HG23 VAL 18 HG23 VAL 18 -1.553 -7.999 6.255 142 HA PRO 19 HA PRO 19 1.231 -11.772 5.584 143 HB2 PRO 19 HB2 PRO 19 -0.297 -13.754 6.618 144 HB3 PRO 19 HB3 PRO 19 1.310 -13.372 7.266 145 HG2 PRO 19 HG2 PRO 19 -1.389 -12.516 8.236 146 HG3 PRO 19 HG3 PRO 19 -0.037 -13.180 9.173 147 HD2 PRO 19 HD2 PRO 19 -0.526 -10.546 9.102 148 HD3 PRO 19 HD3 PRO 19 1.138 -11.161 9.113 149 H VAL 20 H VAL 20 -0.177 -13.038 4.071 150 HA VAL 20 HA VAL 20 -2.366 -11.548 3.106 151 HB VAL 20 HB VAL 20 -1.591 -14.450 2.622 152 HG11 VAL 20 HG11 VAL 20 -3.470 -12.687 1.062 153 HG12 VAL 20 HG12 VAL 20 -3.907 -14.095 2.027 154 HG13 VAL 20 HG13 VAL 20 -2.932 -14.293 0.571 155 HG21 VAL 20 HG21 VAL 20 -0.992 -11.994 0.984 156 HG22 VAL 20 HG22 VAL 20 -0.557 -13.650 0.565 157 HG23 VAL 20 HG23 VAL 20 0.164 -12.879 1.978 158 H THR 21 H THR 21 -1.906 -14.159 5.294 159 HA THR 21 HA THR 21 -4.747 -14.774 5.572 160 HB THR 21 HB THR 21 -2.486 -16.015 7.143 161 HG1 THR 21 HG1 THR 21 -2.876 -17.657 5.265 162 HG21 THR 21 HG21 THR 21 -4.815 -16.524 7.829 163 HG22 THR 21 HG22 THR 21 -3.979 -17.951 7.219 164 HG23 THR 21 HG23 THR 21 -5.151 -17.113 6.200 165 H ALA 22 H ALA 22 -3.507 -12.164 6.463 166 HA ALA 22 HA ALA 22 -3.103 -12.040 9.201 167 HB1 ALA 22 HB1 ALA 22 -4.288 -9.894 7.466 168 HB2 ALA 22 HB2 ALA 22 -2.569 -10.259 7.588 169 HB3 ALA 22 HB3 ALA 22 -3.449 -9.678 9.003 170 H THR 23 H THR 23 -4.317 -11.609 10.915 171 HA THR 23 HA THR 23 -7.194 -12.069 10.664 172 HB THR 23 HB THR 23 -7.091 -12.455 13.127 173 HG1 THR 23 HG1 THR 23 -4.259 -12.332 12.790 174 HG21 THR 23 HG21 THR 23 -6.865 -14.359 11.599 175 HG22 THR 23 HG22 THR 23 -5.870 -14.591 13.036 176 HG23 THR 23 HG23 THR 23 -5.124 -14.093 11.517 177 H ASP 24 H ASP 24 -8.545 -10.754 12.304 178 HA ASP 24 HA ASP 24 -8.451 -8.060 11.756 179 HB2 ASP 24 HB2 ASP 24 -9.631 -9.477 14.155 180 HB3 ASP 24 HB3 ASP 24 -9.967 -7.809 13.713 181 H VAL 25 H VAL 25 -7.049 -9.830 14.473 182 HA VAL 25 HA VAL 25 -6.413 -7.582 16.051 183 HB VAL 25 HB VAL 25 -5.278 -10.377 16.011 184 HG11 VAL 25 HG11 VAL 25 -4.335 -9.897 18.225 185 HG12 VAL 25 HG12 VAL 25 -4.861 -8.220 18.083 186 HG13 VAL 25 HG13 VAL 25 -3.634 -8.855 16.986 187 HG21 VAL 25 HG21 VAL 25 -7.626 -10.269 16.606 188 HG22 VAL 25 HG22 VAL 25 -7.278 -9.054 17.836 189 HG23 VAL 25 HG23 VAL 25 -6.657 -10.694 18.017 190 H GLU 26 H GLU 26 -4.614 -9.443 13.662 191 HA GLU 26 HA GLU 26 -2.087 -8.157 14.037 192 HB2 GLU 26 HB2 GLU 26 -3.245 -9.731 11.738 193 HB3 GLU 26 HB3 GLU 26 -1.563 -9.210 11.834 194 HG2 GLU 26 HG2 GLU 26 -1.218 -10.542 13.802 195 HG3 GLU 26 HG3 GLU 26 -2.925 -10.979 13.838 196 H ILE 27 H ILE 27 -4.807 -7.754 11.931 197 HA ILE 27 HA ILE 27 -3.805 -5.752 10.250 198 HB ILE 27 HB ILE 27 -6.583 -6.589 11.082 199 HG12 ILE 27 HG12 ILE 27 -5.162 -6.880 8.429 200 HG13 ILE 27 HG13 ILE 27 -5.108 -8.094 9.701 201 HG21 ILE 27 HG21 ILE 27 -7.447 -5.197 9.235 202 HG22 ILE 27 HG22 ILE 27 -5.828 -4.553 8.963 203 HG23 ILE 27 HG23 ILE 27 -6.671 -4.210 10.474 204 HD11 ILE 27 HD11 ILE 27 -7.640 -7.112 8.412 205 HD12 ILE 27 HD12 ILE 27 -7.460 -8.463 9.529 206 HD13 ILE 27 HD13 ILE 27 -6.757 -8.554 7.915 207 H LYS 28 H LYS 28 -5.629 -5.630 13.277 208 HA LYS 28 HA LYS 28 -6.132 -2.914 13.424 209 HB2 LYS 28 HB2 LYS 28 -7.155 -4.828 14.673 210 HB3 LYS 28 HB3 LYS 28 -5.687 -4.923 15.621 211 HG2 LYS 28 HG2 LYS 28 -7.247 -3.788 16.907 212 HG3 LYS 28 HG3 LYS 28 -6.124 -2.565 16.300 213 HD2 LYS 28 HD2 LYS 28 -7.673 -1.853 14.645 214 HD3 LYS 28 HD3 LYS 28 -8.752 -3.210 14.975 215 HE2 LYS 28 HE2 LYS 28 -9.117 -2.310 17.235 216 HE3 LYS 28 HE3 LYS 28 -8.108 -0.922 16.825 217 HZ1 LYS 28 HZ1 LYS 28 -10.400 -0.349 16.552 218 HZ2 LYS 28 HZ2 LYS 28 -10.678 -1.689 15.567 219 HZ3 LYS 28 HZ3 LYS 28 -9.696 -0.426 15.015 220 H LYS 29 H LYS 29 -3.558 -4.926 14.800 221 HA LYS 29 HA LYS 29 -2.227 -2.770 16.110 222 HB2 LYS 29 HB2 LYS 29 -0.413 -4.384 16.552 223 HB3 LYS 29 HB3 LYS 29 -1.993 -4.998 17.007 224 HG2 LYS 29 HG2 LYS 29 -2.066 -6.284 14.912 225 HG3 LYS 29 HG3 LYS 29 -0.438 -5.727 14.530 226 HD2 LYS 29 HD2 LYS 29 -1.189 -7.280 17.008 227 HD3 LYS 29 HD3 LYS 29 -0.512 -8.000 15.547 228 HE2 LYS 29 HE2 LYS 29 1.484 -6.590 15.806 229 HE3 LYS 29 HE3 LYS 29 0.808 -5.923 17.292 230 HZ1 LYS 29 HZ1 LYS 29 0.830 -8.150 18.238 231 HZ2 LYS 29 HZ2 LYS 29 2.377 -7.672 17.769 232 HZ3 LYS 29 HZ3 LYS 29 1.512 -8.765 16.818 233 H ALA 30 H ALA 30 -1.712 -4.390 13.053 234 HA ALA 30 HA ALA 30 0.647 -3.121 12.334 235 HB1 ALA 30 HB1 ALA 30 -0.296 -5.045 11.142 236 HB2 ALA 30 HB2 ALA 30 0.108 -3.714 10.060 237 HB3 ALA 30 HB3 ALA 30 -1.574 -4.007 10.509 238 H TYR 31 H TYR 31 -2.731 -2.194 11.911 239 HA TYR 31 HA TYR 31 -2.230 0.188 10.527 240 HB2 TYR 31 HB2 TYR 31 -4.445 -0.712 10.528 241 HB3 TYR 31 HB3 TYR 31 -4.532 -0.683 12.290 242 HD1 TYR 31 HD1 TYR 31 -4.021 1.628 9.385 243 HD2 TYR 31 HD2 TYR 31 -5.625 1.113 13.290 244 HE1 TYR 31 HE1 TYR 31 -5.019 3.873 9.267 245 HE2 TYR 31 HE2 TYR 31 -6.629 3.355 13.175 246 HH TYR 31 HH TYR 31 -6.294 5.455 11.995 247 H ARG 32 H ARG 32 -2.561 -0.615 13.934 248 HA ARG 32 HA ARG 32 -2.376 1.940 15.023 249 HB2 ARG 32 HB2 ARG 32 -1.556 -0.767 16.038 250 HB3 ARG 32 HB3 ARG 32 -1.440 0.682 17.023 251 HG2 ARG 32 HG2 ARG 32 -4.008 -0.045 15.712 252 HG3 ARG 32 HG3 ARG 32 -3.511 -0.829 17.215 253 HD2 ARG 32 HD2 ARG 32 -3.306 1.328 18.292 254 HD3 ARG 32 HD3 ARG 32 -3.668 2.150 16.780 255 HE ARG 32 HE ARG 32 -5.836 0.576 17.197 256 HH11 ARG 32 HH11 ARG 32 -4.167 2.931 19.190 257 HH12 ARG 32 HH12 ARG 32 -5.609 3.520 19.940 258 HH21 ARG 32 HH21 ARG 32 -7.768 1.372 18.197 259 HH22 ARG 32 HH22 ARG 32 -7.653 2.619 19.386 260 H LYS 33 H LYS 33 0.183 -0.422 14.325 261 HA LYS 33 HA LYS 33 2.234 1.368 15.249 262 HB2 LYS 33 HB2 LYS 33 3.829 -0.221 14.530 263 HB3 LYS 33 HB3 LYS 33 2.456 -1.148 15.115 264 HG2 LYS 33 HG2 LYS 33 1.716 -1.452 12.770 265 HG3 LYS 33 HG3 LYS 33 3.174 -0.568 12.275 266 HD2 LYS 33 HD2 LYS 33 4.592 -2.271 13.219 267 HD3 LYS 33 HD3 LYS 33 3.198 -3.126 13.873 268 HE2 LYS 33 HE2 LYS 33 3.987 -4.224 11.855 269 HE3 LYS 33 HE3 LYS 33 2.387 -3.544 11.591 270 HZ1 LYS 33 HZ1 LYS 33 4.956 -2.351 10.706 271 HZ2 LYS 33 HZ2 LYS 33 3.437 -1.658 10.461 272 HZ3 LYS 33 HZ3 LYS 33 3.829 -3.121 9.718 273 H CYS 34 H CYS 34 0.990 0.574 12.025 274 HA CYS 34 HA CYS 34 2.913 2.129 10.669 275 HB2 CYS 34 HB2 CYS 34 1.476 0.480 9.533 276 HB3 CYS 34 HB3 CYS 34 0.083 1.525 9.793 277 HG CYS 34 HG CYS 34 0.765 3.459 8.031 278 H ALA 35 H ALA 35 -0.377 2.971 11.744 279 HA ALA 35 HA ALA 35 -0.302 5.624 10.790 280 HB1 ALA 35 HB1 ALA 35 -2.387 4.470 11.311 281 HB2 ALA 35 HB2 ALA 35 -2.256 5.984 12.207 282 HB3 ALA 35 HB3 ALA 35 -1.957 4.450 13.021 283 H LEU 36 H LEU 36 0.288 4.295 14.025 284 HA LEU 36 HA LEU 36 0.816 6.796 15.223 285 HB2 LEU 36 HB2 LEU 36 1.665 4.033 16.048 286 HB3 LEU 36 HB3 LEU 36 2.001 5.465 17.000 287 HG LEU 36 HG LEU 36 -0.768 4.507 16.273 288 HD11 LEU 36 HD11 LEU 36 -0.937 3.814 18.614 289 HD12 LEU 36 HD12 LEU 36 0.757 4.238 18.860 290 HD13 LEU 36 HD13 LEU 36 0.327 2.928 17.760 291 HD21 LEU 36 HD21 LEU 36 -1.485 6.113 17.998 292 HD22 LEU 36 HD22 LEU 36 -0.681 6.905 16.645 293 HD23 LEU 36 HD23 LEU 36 0.183 6.662 18.164 294 H LYS 37 H LYS 37 2.965 4.478 13.689 295 HA LYS 37 HA LYS 37 5.351 5.792 14.410 296 HB2 LYS 37 HB2 LYS 37 4.714 3.832 12.214 297 HB3 LYS 37 HB3 LYS 37 6.344 4.446 12.503 298 HG2 LYS 37 HG2 LYS 37 6.336 3.463 14.730 299 HG3 LYS 37 HG3 LYS 37 4.659 2.970 14.525 300 HD2 LYS 37 HD2 LYS 37 6.097 1.088 14.193 301 HD3 LYS 37 HD3 LYS 37 5.357 1.530 12.655 302 HE2 LYS 37 HE2 LYS 37 7.398 2.680 11.980 303 HE3 LYS 37 HE3 LYS 37 8.132 2.342 13.545 304 HZ1 LYS 37 HZ1 LYS 37 8.025 -0.019 13.034 305 HZ2 LYS 37 HZ2 LYS 37 8.915 0.815 11.870 306 HZ3 LYS 37 HZ3 LYS 37 7.338 0.315 11.524 307 H TYR 38 H TYR 38 3.284 6.153 11.503 308 HA TYR 38 HA TYR 38 5.037 8.414 10.717 309 HB2 TYR 38 HB2 TYR 38 3.668 6.354 9.015 310 HB3 TYR 38 HB3 TYR 38 4.307 7.848 8.341 311 HD1 TYR 38 HD1 TYR 38 5.158 4.625 9.897 312 HD2 TYR 38 HD2 TYR 38 6.704 8.187 8.160 313 HE1 TYR 38 HE1 TYR 38 7.377 3.574 9.729 314 HE2 TYR 38 HE2 TYR 38 8.922 7.147 7.984 315 HH TYR 38 HH TYR 38 10.184 5.329 9.111 316 H HIS 39 H HIS 39 2.328 8.391 12.213 317 HA HIS 39 HA HIS 39 0.457 9.606 10.478 318 HB2 HIS 39 HB2 HIS 39 -0.699 10.431 12.496 319 HB3 HIS 39 HB3 HIS 39 -0.272 8.732 12.628 320 HD2 HIS 39 HD2 HIS 39 2.938 9.769 13.597 321 HE1 HIS 39 HE1 HIS 39 0.712 10.753 17.063 322 HE2 HIS 39 HE2 HIS 39 2.911 9.952 16.173 323 HA PRO 40 HA PRO 40 2.095 13.603 9.555 324 HB2 PRO 40 HB2 PRO 40 -0.740 14.490 9.737 325 HB3 PRO 40 HB3 PRO 40 0.415 14.672 8.409 326 HG2 PRO 40 HG2 PRO 40 -1.516 12.882 8.228 327 HG3 PRO 40 HG3 PRO 40 0.126 12.476 7.691 328 HD2 PRO 40 HD2 PRO 40 -1.281 11.714 10.225 329 HD3 PRO 40 HD3 PRO 40 -0.254 10.729 9.157 330 H ASP 41 H ASP 41 -0.063 13.203 12.269 331 HA ASP 41 HA ASP 41 0.044 15.811 13.305 332 HB2 ASP 41 HB2 ASP 41 -0.491 13.182 14.664 333 HB3 ASP 41 HB3 ASP 41 -0.617 14.735 15.483 334 H LYS 42 H LYS 42 2.421 13.338 13.369 335 HA LYS 42 HA LYS 42 4.022 14.986 15.152 336 HB2 LYS 42 HB2 LYS 42 3.691 11.998 15.435 337 HB3 LYS 42 HB3 LYS 42 4.976 12.906 16.211 338 HG2 LYS 42 HG2 LYS 42 3.290 14.238 17.406 339 HG3 LYS 42 HG3 LYS 42 2.022 13.272 16.658 340 HD2 LYS 42 HD2 LYS 42 2.921 11.261 17.716 341 HD3 LYS 42 HD3 LYS 42 4.198 12.219 18.467 342 HE2 LYS 42 HE2 LYS 42 2.508 13.508 19.683 343 HE3 LYS 42 HE3 LYS 42 1.235 12.552 18.928 344 HZ1 LYS 42 HZ1 LYS 42 2.116 10.582 20.018 345 HZ2 LYS 42 HZ2 LYS 42 1.733 11.766 21.153 346 HZ3 LYS 42 HZ3 LYS 42 3.345 11.498 20.730 347 H ASN 43 H ASN 43 3.694 12.984 12.424 348 HA ASN 43 HA ASN 43 6.525 13.312 11.763 349 HB2 ASN 43 HB2 ASN 43 4.483 11.362 10.688 350 HB3 ASN 43 HB3 ASN 43 6.129 11.493 10.104 351 HD21 ASN 43 HD21 ASN 43 4.080 10.357 12.546 352 HD22 ASN 43 HD22 ASN 43 5.267 9.480 13.457 353 HA PRO 44 HA PRO 44 4.567 16.517 9.305 354 HB2 PRO 44 HB2 PRO 44 6.832 17.778 8.566 355 HB3 PRO 44 HB3 PRO 44 6.147 17.920 10.190 356 HG2 PRO 44 HG2 PRO 44 8.378 16.165 9.228 357 HG3 PRO 44 HG3 PRO 44 8.295 17.164 10.691 358 HD2 PRO 44 HD2 PRO 44 7.840 14.498 10.717 359 HD3 PRO 44 HD3 PRO 44 7.002 15.629 11.826 360 H SER 45 H SER 45 6.777 14.120 8.134 361 HA SER 45 HA SER 45 7.146 15.042 5.508 362 HB2 SER 45 HB2 SER 45 7.008 12.183 6.276 363 HB3 SER 45 HB3 SER 45 7.971 12.923 5.019 364 HG SER 45 HG SER 45 9.253 13.926 6.560 365 H GLU 46 H GLU 46 6.085 14.847 3.782 366 HA GLU 46 HA GLU 46 3.325 14.352 3.722 367 HB2 GLU 46 HB2 GLU 46 5.339 14.629 1.495 368 HB3 GLU 46 HB3 GLU 46 3.608 14.486 1.218 369 HG2 GLU 46 HG2 GLU 46 4.974 16.667 2.773 370 HG3 GLU 46 HG3 GLU 46 4.336 16.799 1.135 371 H GLU 47 H GLU 47 6.105 12.428 2.767 372 HA GLU 47 HA GLU 47 4.716 10.262 1.618 373 HB2 GLU 47 HB2 GLU 47 7.392 10.444 2.950 374 HB3 GLU 47 HB3 GLU 47 6.828 9.017 2.087 375 HG2 GLU 47 HG2 GLU 47 6.574 10.437 0.056 376 HG3 GLU 47 HG3 GLU 47 7.341 11.749 0.944 377 H ALA 48 H ALA 48 5.756 10.976 4.851 378 HA ALA 48 HA ALA 48 5.046 8.539 6.067 379 HB1 ALA 48 HB1 ALA 48 5.010 9.803 8.182 380 HB2 ALA 48 HB2 ALA 48 5.058 11.311 7.268 381 HB3 ALA 48 HB3 ALA 48 6.431 10.204 7.217 382 H ALA 49 H ALA 49 3.379 11.437 5.437 383 HA ALA 49 HA ALA 49 0.879 10.789 6.579 384 HB1 ALA 49 HB1 ALA 49 1.471 13.086 5.964 385 HB2 ALA 49 HB2 ALA 49 -0.043 12.594 5.205 386 HB3 ALA 49 HB3 ALA 49 1.447 12.638 4.259 387 H GLU 50 H GLU 50 2.256 10.277 3.388 388 HA GLU 50 HA GLU 50 0.005 9.208 2.099 389 HB2 GLU 50 HB2 GLU 50 2.905 8.474 1.686 390 HB3 GLU 50 HB3 GLU 50 1.595 8.137 0.566 391 HG2 GLU 50 HG2 GLU 50 1.243 10.667 0.543 392 HG3 GLU 50 HG3 GLU 50 2.853 10.745 1.286 393 H LYS 51 H LYS 51 2.555 7.751 3.996 394 HA LYS 51 HA LYS 51 1.772 5.066 3.795 395 HB2 LYS 51 HB2 LYS 51 3.201 6.568 5.974 396 HB3 LYS 51 HB3 LYS 51 2.984 4.821 5.984 397 HG2 LYS 51 HG2 LYS 51 4.259 4.614 3.949 398 HG3 LYS 51 HG3 LYS 51 4.397 6.370 3.830 399 HD2 LYS 51 HD2 LYS 51 6.435 5.469 4.741 400 HD3 LYS 51 HD3 LYS 51 5.577 6.393 5.985 401 HE2 LYS 51 HE2 LYS 51 6.445 4.321 6.918 402 HE3 LYS 51 HE3 LYS 51 4.687 4.292 6.920 403 HZ1 LYS 51 HZ1 LYS 51 4.774 2.931 4.886 404 HZ2 LYS 51 HZ2 LYS 51 5.571 2.175 6.165 405 HZ3 LYS 51 HZ3 LYS 51 6.463 2.935 4.949 406 H PHE 52 H PHE 52 0.863 7.609 6.018 407 HA PHE 52 HA PHE 52 -0.728 6.104 7.760 408 HB2 PHE 52 HB2 PHE 52 -0.005 8.358 8.309 409 HB3 PHE 52 HB3 PHE 52 -0.931 9.014 6.962 410 HD1 PHE 52 HD1 PHE 52 -1.181 7.473 10.297 411 HD2 PHE 52 HD2 PHE 52 -3.276 9.409 7.140 412 HE1 PHE 52 HE1 PHE 52 -3.135 7.761 11.767 413 HE2 PHE 52 HE2 PHE 52 -5.227 9.696 8.604 414 HZ PHE 52 HZ PHE 52 -5.157 8.874 10.921 415 H LYS 53 H LYS 53 -1.655 7.950 4.840 416 HA LYS 53 HA LYS 53 -4.402 7.259 5.017 417 HB2 LYS 53 HB2 LYS 53 -4.607 8.145 2.739 418 HB3 LYS 53 HB3 LYS 53 -3.758 9.242 3.818 419 HG2 LYS 53 HG2 LYS 53 -1.632 8.481 2.853 420 HG3 LYS 53 HG3 LYS 53 -2.532 7.455 1.733 421 HD2 LYS 53 HD2 LYS 53 -2.815 10.454 1.924 422 HD3 LYS 53 HD3 LYS 53 -1.811 9.616 0.744 423 HE2 LYS 53 HE2 LYS 53 -4.796 9.283 1.041 424 HE3 LYS 53 HE3 LYS 53 -4.003 10.291 -0.167 425 HZ1 LYS 53 HZ1 LYS 53 -3.731 7.346 0.087 426 HZ2 LYS 53 HZ2 LYS 53 -2.940 8.305 -1.059 427 HZ3 LYS 53 HZ3 LYS 53 -4.617 8.166 -1.092 428 H GLU 54 H GLU 54 -1.727 5.747 3.282 429 HA GLU 54 HA GLU 54 -3.444 3.916 1.926 430 HB2 GLU 54 HB2 GLU 54 -1.410 2.627 1.401 431 HB3 GLU 54 HB3 GLU 54 -1.202 4.335 1.055 432 HG2 GLU 54 HG2 GLU 54 -0.002 4.574 3.190 433 HG3 GLU 54 HG3 GLU 54 -0.136 2.835 3.428 434 H ALA 55 H ALA 55 -1.884 3.966 5.033 435 HA ALA 55 HA ALA 55 -2.384 1.265 5.754 436 HB1 ALA 55 HB1 ALA 55 -1.923 1.985 8.034 437 HB2 ALA 55 HB2 ALA 55 -2.020 3.674 7.533 438 HB3 ALA 55 HB3 ALA 55 -0.727 2.644 6.918 439 H SER 56 H SER 56 -4.184 4.283 6.093 440 HA SER 56 HA SER 56 -6.187 3.210 7.753 441 HB2 SER 56 HB2 SER 56 -7.442 5.269 7.193 442 HB3 SER 56 HB3 SER 56 -5.796 5.605 7.714 443 HG SER 56 HG SER 56 -6.836 5.631 5.074 444 H ALA 57 H ALA 57 -5.876 3.510 4.251 445 HA ALA 57 HA ALA 57 -8.493 2.561 3.661 446 HB1 ALA 57 HB1 ALA 57 -7.652 2.199 1.391 447 HB2 ALA 57 HB2 ALA 57 -5.995 2.393 1.961 448 HB3 ALA 57 HB3 ALA 57 -7.108 3.760 2.007 449 H ALA 58 H ALA 58 -5.406 0.991 4.068 450 HA ALA 58 HA ALA 58 -6.173 -1.635 3.455 451 HB1 ALA 58 HB1 ALA 58 -4.228 -2.335 4.683 452 HB2 ALA 58 HB2 ALA 58 -4.186 -0.815 5.571 453 HB3 ALA 58 HB3 ALA 58 -3.816 -0.833 3.853 454 H TYR 59 H TYR 59 -6.162 0.221 6.439 455 HA TYR 59 HA TYR 59 -7.226 -1.710 8.132 456 HB2 TYR 59 HB2 TYR 59 -6.132 0.239 8.972 457 HB3 TYR 59 HB3 TYR 59 -7.313 1.302 8.218 458 HD1 TYR 59 HD1 TYR 59 -6.913 -1.317 10.823 459 HD2 TYR 59 HD2 TYR 59 -9.219 1.958 9.408 460 HE1 TYR 59 HE1 TYR 59 -8.201 -1.328 12.910 461 HE2 TYR 59 HE2 TYR 59 -10.519 1.956 11.492 462 HH TYR 59 HH TYR 59 -11.098 0.427 13.281 463 H GLU 60 H GLU 60 -8.870 0.771 6.168 464 HA GLU 60 HA GLU 60 -11.351 0.384 7.342 465 HB2 GLU 60 HB2 GLU 60 -12.349 1.599 5.517 466 HB3 GLU 60 HB3 GLU 60 -10.844 2.358 5.997 467 HG2 GLU 60 HG2 GLU 60 -9.762 1.187 4.071 468 HG3 GLU 60 HG3 GLU 60 -11.374 0.694 3.563 469 H ILE 61 H ILE 61 -9.816 -1.387 4.738 470 HA ILE 61 HA ILE 61 -12.276 -2.960 4.391 471 HB ILE 61 HB ILE 61 -11.028 -4.174 2.616 472 HG12 ILE 61 HG12 ILE 61 -8.935 -2.026 2.998 473 HG13 ILE 61 HG13 ILE 61 -8.747 -3.711 3.469 474 HG21 ILE 61 HG21 ILE 61 -11.138 -2.341 0.978 475 HG22 ILE 61 HG22 ILE 61 -11.222 -1.181 2.304 476 HG23 ILE 61 HG23 ILE 61 -12.526 -2.344 2.067 477 HD11 ILE 61 HD11 ILE 61 -9.155 -2.695 0.673 478 HD12 ILE 61 HD12 ILE 61 -8.974 -4.386 1.141 479 HD13 ILE 61 HD13 ILE 61 -7.637 -3.258 1.370 480 H LEU 62 H LEU 62 -8.916 -3.509 5.265 481 HA LEU 62 HA LEU 62 -9.226 -6.229 5.804 482 HB2 LEU 62 HB2 LEU 62 -7.238 -4.210 6.699 483 HB3 LEU 62 HB3 LEU 62 -7.039 -5.941 7.013 484 HG LEU 62 HG LEU 62 -7.196 -4.579 4.331 485 HD11 LEU 62 HD11 LEU 62 -5.081 -4.176 5.423 486 HD12 LEU 62 HD12 LEU 62 -4.855 -5.308 4.090 487 HD13 LEU 62 HD13 LEU 62 -4.887 -5.897 5.752 488 HD21 LEU 62 HD21 LEU 62 -6.841 -7.494 5.007 489 HD22 LEU 62 HD22 LEU 62 -6.598 -6.799 3.405 490 HD23 LEU 62 HD23 LEU 62 -8.195 -6.757 4.149 491 H SER 63 H SER 63 -9.553 -3.447 7.995 492 HA SER 63 HA SER 63 -9.743 -4.945 10.408 493 HB2 SER 63 HB2 SER 63 -9.279 -2.482 10.267 494 HB3 SER 63 HB3 SER 63 -10.960 -2.237 9.806 495 HG SER 63 HG SER 63 -10.536 -3.726 12.111 496 H ASP 64 H ASP 64 -11.754 -4.858 7.776 497 HA ASP 64 HA ASP 64 -14.057 -5.695 9.392 498 HB2 ASP 64 HB2 ASP 64 -13.921 -4.082 6.889 499 HB3 ASP 64 HB3 ASP 64 -15.236 -5.243 7.033 500 HA PRO 65 HA PRO 65 -12.434 -9.576 7.879 501 HB2 PRO 65 HB2 PRO 65 -15.085 -10.424 8.937 502 HB3 PRO 65 HB3 PRO 65 -13.478 -11.103 9.236 503 HG2 PRO 65 HG2 PRO 65 -14.676 -9.598 11.041 504 HG3 PRO 65 HG3 PRO 65 -12.914 -9.448 10.774 505 HD2 PRO 65 HD2 PRO 65 -15.177 -7.676 9.936 506 HD3 PRO 65 HD3 PRO 65 -13.537 -7.230 10.432 507 H GLU 66 H GLU 66 -15.610 -8.346 7.259 508 HA GLU 66 HA GLU 66 -16.244 -10.273 5.226 509 HB2 GLU 66 HB2 GLU 66 -18.194 -8.773 4.810 510 HB3 GLU 66 HB3 GLU 66 -18.056 -9.300 6.484 511 HG2 GLU 66 HG2 GLU 66 -17.069 -7.189 7.106 512 HG3 GLU 66 HG3 GLU 66 -17.110 -6.652 5.424 513 H LYS 67 H LYS 67 -14.893 -7.075 5.387 514 HA LYS 67 HA LYS 67 -14.954 -6.668 2.548 515 HB2 LYS 67 HB2 LYS 67 -13.835 -5.219 4.920 516 HB3 LYS 67 HB3 LYS 67 -13.682 -4.586 3.259 517 HG2 LYS 67 HG2 LYS 67 -16.222 -5.070 4.827 518 HG3 LYS 67 HG3 LYS 67 -15.496 -3.506 4.474 519 HD2 LYS 67 HD2 LYS 67 -15.836 -3.897 2.072 520 HD3 LYS 67 HD3 LYS 67 -16.584 -5.452 2.437 521 HE2 LYS 67 HE2 LYS 67 -18.327 -4.291 3.723 522 HE3 LYS 67 HE3 LYS 67 -17.588 -2.746 3.310 523 HZ1 LYS 67 HZ1 LYS 67 -18.726 -4.690 1.378 524 HZ2 LYS 67 HZ2 LYS 67 -18.024 -3.214 0.968 525 HZ3 LYS 67 HZ3 LYS 67 -19.459 -3.248 1.865 526 H ARG 68 H ARG 68 -12.993 -7.889 5.026 527 HA ARG 68 HA ARG 68 -10.460 -7.700 3.824 528 HB2 ARG 68 HB2 ARG 68 -11.257 -8.082 6.305 529 HB3 ARG 68 HB3 ARG 68 -11.285 -9.764 5.826 530 HG2 ARG 68 HG2 ARG 68 -8.811 -8.877 4.960 531 HG3 ARG 68 HG3 ARG 68 -9.054 -8.073 6.492 532 HD2 ARG 68 HD2 ARG 68 -7.959 -10.305 6.717 533 HD3 ARG 68 HD3 ARG 68 -9.430 -10.095 7.665 534 HE ARG 68 HE ARG 68 -10.587 -11.489 6.117 535 HH11 ARG 68 HH11 ARG 68 -7.107 -11.437 5.667 536 HH12 ARG 68 HH12 ARG 68 -7.078 -12.897 4.748 537 HH21 ARG 68 HH21 ARG 68 -10.564 -13.402 4.895 538 HH22 ARG 68 HH22 ARG 68 -9.055 -14.035 4.314 539 H ASP 69 H ASP 69 -12.995 -10.160 4.154 540 HA ASP 69 HA ASP 69 -11.662 -12.197 2.708 541 HB2 ASP 69 HB2 ASP 69 -14.578 -11.774 3.367 542 HB3 ASP 69 HB3 ASP 69 -14.001 -13.170 2.464 543 H ILE 70 H ILE 70 -13.926 -9.691 1.867 544 HA ILE 70 HA ILE 70 -14.268 -10.355 -0.830 545 HB ILE 70 HB ILE 70 -14.401 -7.787 0.705 546 HG12 ILE 70 HG12 ILE 70 -16.165 -9.371 1.178 547 HG13 ILE 70 HG13 ILE 70 -16.831 -7.988 0.322 548 HG21 ILE 70 HG21 ILE 70 -15.094 -8.152 -2.229 549 HG22 ILE 70 HG22 ILE 70 -13.770 -7.180 -1.588 550 HG23 ILE 70 HG23 ILE 70 -15.440 -6.707 -1.277 551 HD11 ILE 70 HD11 ILE 70 -17.825 -10.019 -0.495 552 HD12 ILE 70 HD12 ILE 70 -16.239 -10.703 -0.835 553 HD13 ILE 70 HD13 ILE 70 -16.816 -9.315 -1.758 554 H TYR 71 H TYR 71 -11.964 -8.181 0.788 555 HA TYR 71 HA TYR 71 -10.493 -7.510 -1.504 556 HB2 TYR 71 HB2 TYR 71 -10.155 -6.269 0.553 557 HB3 TYR 71 HB3 TYR 71 -9.557 -7.711 1.369 558 HD1 TYR 71 HD1 TYR 71 -8.802 -5.382 -1.434 559 HD2 TYR 71 HD2 TYR 71 -7.278 -8.249 1.310 560 HE1 TYR 71 HE1 TYR 71 -6.513 -4.863 -2.167 561 HE2 TYR 71 HE2 TYR 71 -4.991 -7.733 0.589 562 HH TYR 71 HH TYR 71 -3.964 -6.819 -1.596 563 H ASP 72 H ASP 72 -10.100 -10.152 0.781 564 HA ASP 72 HA ASP 72 -7.762 -11.296 -0.152 565 HB2 ASP 72 HB2 ASP 72 -8.799 -11.926 1.948 566 HB3 ASP 72 HB3 ASP 72 -10.188 -12.590 1.099 567 H GLN 73 H GLN 73 -11.109 -11.872 -1.267 568 HA GLN 73 HA GLN 73 -10.588 -13.975 -3.033 569 HB2 GLN 73 HB2 GLN 73 -12.601 -11.745 -3.167 570 HB3 GLN 73 HB3 GLN 73 -12.683 -13.254 -4.073 571 HG2 GLN 73 HG2 GLN 73 -12.622 -13.045 -1.101 572 HG3 GLN 73 HG3 GLN 73 -14.072 -13.192 -2.065 573 HE21 GLN 73 HE21 GLN 73 -12.760 -14.908 -0.024 574 HE22 GLN 73 HE22 GLN 73 -12.609 -16.467 -0.762 575 H PHE 74 H PHE 74 -10.701 -10.484 -3.506 576 HA PHE 74 HA PHE 74 -9.911 -10.627 -6.252 577 HB2 PHE 74 HB2 PHE 74 -10.039 -8.317 -4.314 578 HB3 PHE 74 HB3 PHE 74 -9.543 -8.134 -5.993 579 HD1 PHE 74 HD1 PHE 74 -12.332 -8.733 -3.735 580 HD2 PHE 74 HD2 PHE 74 -11.142 -8.439 -7.804 581 HE1 PHE 74 HE1 PHE 74 -14.689 -8.548 -4.404 582 HE2 PHE 74 HE2 PHE 74 -13.498 -8.252 -8.481 583 HZ PHE 74 HZ PHE 74 -15.275 -8.308 -6.779 584 H GLY 75 H GLY 75 -8.218 -10.360 -3.233 585 HA2 GLY 75 HA2 GLY 75 -5.964 -11.026 -2.959 586 HA3 GLY 75 HA3 GLY 75 -5.687 -10.737 -4.670 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 14.403 1.525 -16.550 2 H2 GLY 1 HT2 GLY 1 14.016 1.551 -18.193 3 H3 GLY 1 HT3 GLY 1 15.151 0.438 -17.611 4 HA2 GLY 1 HA3 GLY 1 13.069 -0.675 -18.013 5 HA3 GLY 1 HA2 GLY 1 13.413 -0.631 -16.287 6 H GLU 2 H GLU 2 10.876 -0.704 -17.953 7 HA GLU 2 HA GLU 2 9.596 1.837 -17.473 8 HB2 GLU 2 HB2 GLU 2 8.386 -0.809 -18.237 9 HB3 GLU 2 HB3 GLU 2 7.607 0.756 -18.323 10 HG2 GLU 2 HG2 GLU 2 9.169 1.445 -20.050 11 HG3 GLU 2 HG3 GLU 2 9.967 -0.129 -19.950 12 H PHE 3 H PHE 3 8.693 2.403 -15.579 13 HA PHE 3 HA PHE 3 8.205 0.598 -13.463 14 HB2 PHE 3 HB2 PHE 3 8.410 3.032 -13.085 15 HB3 PHE 3 HB3 PHE 3 6.949 3.307 -14.025 16 HD1 PHE 3 HD1 PHE 3 8.224 1.678 -10.945 17 HD2 PHE 3 HD2 PHE 3 4.849 3.271 -12.992 18 HE1 PHE 3 HE1 PHE 3 6.887 1.471 -8.892 19 HE2 PHE 3 HE2 PHE 3 3.504 3.065 -10.943 20 HZ PHE 3 HZ PHE 3 4.522 2.163 -8.889 21 H GLY 4 H GLY 4 6.127 2.107 -15.896 22 HA2 GLY 4 HA2 GLY 4 4.124 1.532 -16.817 23 HA3 GLY 4 HA3 GLY 4 4.648 -0.126 -16.572 24 H SER 5 H SER 5 2.938 -1.125 -15.831 25 HA SER 5 HA SER 5 1.766 -0.135 -13.346 26 HB2 SER 5 HB2 SER 5 0.286 -1.415 -15.660 27 HB3 SER 5 HB3 SER 5 -0.425 -1.010 -14.096 28 HG SER 5 HG SER 5 0.404 1.202 -14.607 29 H MET 6 H MET 6 1.338 -1.707 -11.826 30 HA MET 6 HA MET 6 2.102 -4.450 -12.540 31 HB2 MET 6 HB2 MET 6 2.940 -2.936 -10.058 32 HB3 MET 6 HB3 MET 6 3.223 -4.648 -10.334 33 HG2 MET 6 HG2 MET 6 4.649 -4.129 -12.230 34 HG3 MET 6 HG3 MET 6 4.324 -2.410 -12.022 35 HE1 MET 6 HE1 MET 6 8.065 -2.677 -10.941 36 HE2 MET 6 HE2 MET 6 6.901 -1.846 -11.971 37 HE3 MET 6 HE3 MET 6 7.254 -3.552 -12.241 38 H VAL 7 H VAL 7 0.824 -6.017 -11.669 39 HA VAL 7 HA VAL 7 -1.627 -5.155 -10.495 40 HB VAL 7 HB VAL 7 -2.157 -7.624 -10.344 41 HG11 VAL 7 HG11 VAL 7 -2.378 -7.905 -12.774 42 HG12 VAL 7 HG12 VAL 7 -1.282 -6.545 -13.018 43 HG13 VAL 7 HG13 VAL 7 -2.848 -6.289 -12.247 44 HG21 VAL 7 HG21 VAL 7 0.152 -8.456 -10.160 45 HG22 VAL 7 HG22 VAL 7 0.474 -7.911 -11.806 46 HG23 VAL 7 HG23 VAL 7 -0.700 -9.195 -11.515 47 H LYS 8 H LYS 8 -1.609 -4.442 -8.525 48 HA LYS 8 HA LYS 8 0.192 -5.370 -6.531 49 HB2 LYS 8 HB2 LYS 8 -2.205 -3.553 -6.410 50 HB3 LYS 8 HB3 LYS 8 -1.148 -3.863 -5.045 51 HG2 LYS 8 HG2 LYS 8 0.744 -2.953 -6.313 52 HG3 LYS 8 HG3 LYS 8 -0.337 -2.628 -7.668 53 HD2 LYS 8 HD2 LYS 8 -1.644 -1.115 -6.258 54 HD3 LYS 8 HD3 LYS 8 -0.563 -1.445 -4.902 55 HE2 LYS 8 HE2 LYS 8 1.313 -0.528 -6.183 56 HE3 LYS 8 HE3 LYS 8 0.229 -0.199 -7.533 57 HZ1 LYS 8 HZ1 LYS 8 -1.040 1.264 -6.015 58 HZ2 LYS 8 HZ2 LYS 8 0.535 1.795 -6.298 59 HZ3 LYS 8 HZ3 LYS 8 0.154 1.037 -4.839 60 H GLU 9 H GLU 9 0.003 -7.142 -5.355 61 HA GLU 9 HA GLU 9 -2.678 -8.143 -4.724 62 HB2 GLU 9 HB2 GLU 9 -1.500 -9.594 -6.282 63 HB3 GLU 9 HB3 GLU 9 -0.101 -9.629 -5.223 64 HG2 GLU 9 HG2 GLU 9 -1.390 -10.821 -3.540 65 HG3 GLU 9 HG3 GLU 9 -2.810 -10.769 -4.586 66 H THR 10 H THR 10 -3.160 -8.262 -2.651 67 HA THR 10 HA THR 10 -3.097 -8.202 -0.394 68 HB THR 10 HB THR 10 -1.474 -9.685 0.757 69 HG1 THR 10 HG1 THR 10 -0.319 -10.833 -1.361 70 HG21 THR 10 HG21 THR 10 -3.508 -10.608 -0.242 71 HG22 THR 10 HG22 THR 10 -2.175 -11.758 -0.343 72 HG23 THR 10 HG23 THR 10 -2.658 -10.840 -1.769 73 H LYS 11 H LYS 11 -1.549 -6.188 -1.862 74 HA LYS 11 HA LYS 11 0.701 -5.273 -0.484 75 HB2 LYS 11 HB2 LYS 11 -1.388 -3.585 -1.813 76 HB3 LYS 11 HB3 LYS 11 0.237 -3.068 -1.378 77 HG2 LYS 11 HG2 LYS 11 -0.490 -5.223 -3.329 78 HG3 LYS 11 HG3 LYS 11 0.070 -3.592 -3.677 79 HD2 LYS 11 HD2 LYS 11 2.206 -4.065 -2.601 80 HD3 LYS 11 HD3 LYS 11 1.637 -5.677 -2.167 81 HE2 LYS 11 HE2 LYS 11 1.391 -6.192 -4.566 82 HE3 LYS 11 HE3 LYS 11 2.069 -4.612 -4.952 83 HZ1 LYS 11 HZ1 LYS 11 4.110 -5.254 -3.853 84 HZ2 LYS 11 HZ2 LYS 11 3.724 -6.370 -5.063 85 HZ3 LYS 11 HZ3 LYS 11 3.454 -6.758 -3.443 86 H PHE 12 H PHE 12 -2.621 -4.899 0.253 87 HA PHE 12 HA PHE 12 -2.202 -2.855 2.210 88 HB2 PHE 12 HB2 PHE 12 -4.560 -4.565 1.552 89 HB3 PHE 12 HB3 PHE 12 -4.527 -3.692 3.084 90 HD1 PHE 12 HD1 PHE 12 -5.861 -3.488 -0.025 91 HD2 PHE 12 HD2 PHE 12 -3.468 -1.168 2.611 92 HE1 PHE 12 HE1 PHE 12 -6.630 -1.426 -1.133 93 HE2 PHE 12 HE2 PHE 12 -4.233 0.887 1.520 94 HZ PHE 12 HZ PHE 12 -5.815 0.768 -0.339 95 H TYR 13 H TYR 13 -2.116 -6.332 2.269 96 HA TYR 13 HA TYR 13 -2.050 -6.551 5.132 97 HB2 TYR 13 HB2 TYR 13 -1.045 -8.464 2.999 98 HB3 TYR 13 HB3 TYR 13 -1.096 -8.827 4.720 99 HD1 TYR 13 HD1 TYR 13 -2.959 -8.702 1.638 100 HD2 TYR 13 HD2 TYR 13 -3.327 -9.003 5.857 101 HE1 TYR 13 HE1 TYR 13 -5.238 -9.577 1.370 102 HE2 TYR 13 HE2 TYR 13 -5.606 -9.876 5.605 103 HH TYR 13 HH TYR 13 -6.848 -10.926 2.623 104 H ASP 14 H ASP 14 0.347 -6.483 2.542 105 HA ASP 14 HA ASP 14 2.681 -6.540 4.065 106 HB2 ASP 14 HB2 ASP 14 2.047 -5.320 1.405 107 HB3 ASP 14 HB3 ASP 14 3.647 -5.170 2.105 108 H ILE 15 H ILE 15 0.755 -3.780 3.052 109 HA ILE 15 HA ILE 15 2.446 -1.795 4.036 110 HB ILE 15 HB ILE 15 -0.496 -1.871 3.487 111 HG12 ILE 15 HG12 ILE 15 1.732 -0.378 2.099 112 HG13 ILE 15 HG13 ILE 15 1.129 -1.981 1.617 113 HG21 ILE 15 HG21 ILE 15 1.099 0.564 4.334 114 HG22 ILE 15 HG22 ILE 15 -0.173 -0.213 5.275 115 HG23 ILE 15 HG23 ILE 15 -0.566 0.586 3.752 116 HD11 ILE 15 HD11 ILE 15 0.192 -0.225 0.230 117 HD12 ILE 15 HD12 ILE 15 -0.447 0.586 1.657 118 HD13 ILE 15 HD13 ILE 15 -1.070 -0.997 1.191 119 H LEU 16 H LEU 16 -0.409 -3.251 5.632 120 HA LEU 16 HA LEU 16 0.119 -2.012 8.104 121 HB2 LEU 16 HB2 LEU 16 -1.429 -4.517 7.505 122 HB3 LEU 16 HB3 LEU 16 -1.320 -3.820 9.109 123 HG LEU 16 HG LEU 16 -2.570 -2.493 6.688 124 HD11 LEU 16 HD11 LEU 16 -4.662 -2.838 7.846 125 HD12 LEU 16 HD12 LEU 16 -3.822 -3.653 9.165 126 HD13 LEU 16 HD13 LEU 16 -3.854 -4.380 7.560 127 HD21 LEU 16 HD21 LEU 16 -3.337 -0.816 8.318 128 HD22 LEU 16 HD22 LEU 16 -1.581 -0.844 8.174 129 HD23 LEU 16 HD23 LEU 16 -2.364 -1.597 9.564 130 H GLY 17 H GLY 17 1.500 -4.858 6.678 131 HA2 GLY 17 HA2 GLY 17 3.518 -5.837 7.422 132 HA3 GLY 17 HA3 GLY 17 3.277 -5.078 8.993 133 H VAL 18 H VAL 18 0.650 -6.631 7.529 134 HA VAL 18 HA VAL 18 0.782 -8.801 9.519 135 HB VAL 18 HB VAL 18 -1.673 -9.003 9.221 136 HG11 VAL 18 HG11 VAL 18 -2.277 -6.970 10.414 137 HG12 VAL 18 HG12 VAL 18 -0.733 -6.246 9.961 138 HG13 VAL 18 HG13 VAL 18 -0.770 -7.653 11.023 139 HG21 VAL 18 HG21 VAL 18 -1.856 -8.132 6.953 140 HG22 VAL 18 HG22 VAL 18 -1.372 -6.534 7.515 141 HG23 VAL 18 HG23 VAL 18 -2.902 -7.231 8.052 142 HA PRO 19 HA PRO 19 0.986 -11.846 6.247 143 HB2 PRO 19 HB2 PRO 19 -0.494 -13.866 7.285 144 HB3 PRO 19 HB3 PRO 19 1.109 -13.454 7.930 145 HG2 PRO 19 HG2 PRO 19 -1.603 -12.659 8.917 146 HG3 PRO 19 HG3 PRO 19 -0.234 -13.295 9.847 147 HD2 PRO 19 HD2 PRO 19 -0.791 -10.668 9.772 148 HD3 PRO 19 HD3 PRO 19 0.885 -11.242 9.811 149 H VAL 20 H VAL 20 -0.449 -13.009 4.629 150 HA VAL 20 HA VAL 20 -2.721 -11.478 3.958 151 HB VAL 20 HB VAL 20 -1.356 -12.744 2.294 152 HG11 VAL 20 HG11 VAL 20 -0.932 -14.768 3.543 153 HG12 VAL 20 HG12 VAL 20 -1.715 -15.158 2.013 154 HG13 VAL 20 HG13 VAL 20 -2.645 -15.178 3.511 155 HG21 VAL 20 HG21 VAL 20 -4.273 -13.510 2.364 156 HG22 VAL 20 HG22 VAL 20 -3.229 -13.580 0.944 157 HG23 VAL 20 HG23 VAL 20 -3.596 -12.026 1.693 158 H THR 21 H THR 21 -2.154 -14.131 6.026 159 HA THR 21 HA THR 21 -4.972 -14.850 6.284 160 HB THR 21 HB THR 21 -2.706 -16.074 7.848 161 HG1 THR 21 HG1 THR 21 -3.504 -16.743 5.182 162 HG21 THR 21 HG21 THR 21 -5.284 -17.203 6.721 163 HG22 THR 21 HG22 THR 21 -5.020 -16.730 8.399 164 HG23 THR 21 HG23 THR 21 -4.119 -18.082 7.712 165 H ALA 22 H ALA 22 -3.759 -12.262 7.169 166 HA ALA 22 HA ALA 22 -3.309 -12.143 9.900 167 HB1 ALA 22 HB1 ALA 22 -2.803 -10.355 8.290 168 HB2 ALA 22 HB2 ALA 22 -3.669 -9.786 9.719 169 HB3 ALA 22 HB3 ALA 22 -4.527 -9.995 8.193 170 H THR 23 H THR 23 -4.493 -11.709 11.609 171 HA THR 23 HA THR 23 -7.368 -12.159 11.402 172 HB THR 23 HB THR 23 -7.193 -12.473 13.896 173 HG1 THR 23 HG1 THR 23 -4.393 -12.390 13.323 174 HG21 THR 23 HG21 THR 23 -6.125 -14.684 13.769 175 HG22 THR 23 HG22 THR 23 -5.433 -14.256 12.204 176 HG23 THR 23 HG23 THR 23 -7.181 -14.404 12.384 177 H ASP 24 H ASP 24 -8.726 -10.793 12.916 178 HA ASP 24 HA ASP 24 -8.518 -8.110 12.368 179 HB2 ASP 24 HB2 ASP 24 -9.871 -9.422 14.732 180 HB3 ASP 24 HB3 ASP 24 -10.193 -7.797 14.133 181 H VAL 25 H VAL 25 -7.274 -9.919 15.129 182 HA VAL 25 HA VAL 25 -6.667 -7.722 16.781 183 HB VAL 25 HB VAL 25 -5.467 -10.492 16.644 184 HG11 VAL 25 HG11 VAL 25 -3.873 -8.993 17.698 185 HG12 VAL 25 HG12 VAL 25 -4.586 -10.065 18.901 186 HG13 VAL 25 HG13 VAL 25 -5.126 -8.391 18.782 187 HG21 VAL 25 HG21 VAL 25 -6.864 -10.923 18.613 188 HG22 VAL 25 HG22 VAL 25 -7.826 -10.469 17.206 189 HG23 VAL 25 HG23 VAL 25 -7.528 -9.294 18.486 190 H GLU 26 H GLU 26 -4.798 -9.492 14.359 191 HA GLU 26 HA GLU 26 -2.312 -8.151 14.789 192 HB2 GLU 26 HB2 GLU 26 -3.421 -9.687 12.440 193 HB3 GLU 26 HB3 GLU 26 -1.752 -9.130 12.558 194 HG2 GLU 26 HG2 GLU 26 -1.383 -10.507 14.483 195 HG3 GLU 26 HG3 GLU 26 -3.078 -10.981 14.510 196 H ILE 27 H ILE 27 -5.064 -7.732 12.762 197 HA ILE 27 HA ILE 27 -4.075 -5.710 11.096 198 HB ILE 27 HB ILE 27 -6.860 -6.588 11.864 199 HG12 ILE 27 HG12 ILE 27 -5.356 -6.842 9.251 200 HG13 ILE 27 HG13 ILE 27 -5.335 -8.071 10.508 201 HG21 ILE 27 HG21 ILE 27 -7.692 -5.193 10.003 202 HG22 ILE 27 HG22 ILE 27 -6.074 -4.532 9.775 203 HG23 ILE 27 HG23 ILE 27 -6.957 -4.204 11.266 204 HD11 ILE 27 HD11 ILE 27 -7.710 -8.396 10.269 205 HD12 ILE 27 HD12 ILE 27 -6.914 -8.569 8.704 206 HD13 ILE 27 HD13 ILE 27 -7.797 -7.091 9.088 207 H LYS 28 H LYS 28 -5.902 -5.603 14.159 208 HA LYS 28 HA LYS 28 -6.303 -2.813 14.246 209 HB2 LYS 28 HB2 LYS 28 -6.035 -4.821 16.499 210 HB3 LYS 28 HB3 LYS 28 -6.587 -3.171 16.706 211 HG2 LYS 28 HG2 LYS 28 -7.977 -5.238 15.017 212 HG3 LYS 28 HG3 LYS 28 -8.396 -4.853 16.683 213 HD2 LYS 28 HD2 LYS 28 -8.801 -2.505 15.975 214 HD3 LYS 28 HD3 LYS 28 -8.500 -3.018 14.312 215 HE2 LYS 28 HE2 LYS 28 -10.891 -2.939 14.776 216 HE3 LYS 28 HE3 LYS 28 -10.358 -4.586 14.442 217 HZ1 LYS 28 HZ1 LYS 28 -11.869 -4.499 16.323 218 HZ2 LYS 28 HZ2 LYS 28 -10.835 -3.450 17.150 219 HZ3 LYS 28 HZ3 LYS 28 -10.345 -5.033 16.813 220 H LYS 29 H LYS 29 -3.791 -4.879 15.595 221 HA LYS 29 HA LYS 29 -2.450 -2.669 16.786 222 HB2 LYS 29 HB2 LYS 29 -0.700 -4.274 17.445 223 HB3 LYS 29 HB3 LYS 29 -2.314 -4.739 17.938 224 HG2 LYS 29 HG2 LYS 29 -2.406 -6.318 16.066 225 HG3 LYS 29 HG3 LYS 29 -0.744 -5.897 15.640 226 HD2 LYS 29 HD2 LYS 29 0.011 -6.613 17.862 227 HD3 LYS 29 HD3 LYS 29 -1.647 -7.016 18.301 228 HE2 LYS 29 HE2 LYS 29 -1.687 -8.716 16.540 229 HE3 LYS 29 HE3 LYS 29 -0.022 -8.312 16.115 230 HZ1 LYS 29 HZ1 LYS 29 -0.964 -9.418 18.707 231 HZ2 LYS 29 HZ2 LYS 29 0.627 -8.960 18.382 232 HZ3 LYS 29 HZ3 LYS 29 -0.073 -10.241 17.533 233 H ALA 30 H ALA 30 -1.897 -4.485 13.835 234 HA ALA 30 HA ALA 30 0.461 -3.230 13.120 235 HB1 ALA 30 HB1 ALA 30 -0.429 -5.187 11.962 236 HB2 ALA 30 HB2 ALA 30 -0.081 -3.871 10.843 237 HB3 ALA 30 HB3 ALA 30 -1.746 -4.204 11.323 238 H TYR 31 H TYR 31 -2.935 -2.333 12.652 239 HA TYR 31 HA TYR 31 -2.436 -0.017 11.150 240 HB2 TYR 31 HB2 TYR 31 -4.648 -0.894 11.125 241 HB3 TYR 31 HB3 TYR 31 -4.766 -0.847 12.884 242 HD1 TYR 31 HD1 TYR 31 -4.264 1.444 9.961 243 HD2 TYR 31 HD2 TYR 31 -5.867 0.947 13.870 244 HE1 TYR 31 HE1 TYR 31 -5.282 3.680 9.827 245 HE2 TYR 31 HE2 TYR 31 -6.891 3.178 13.742 246 HH TYR 31 HH TYR 31 -7.074 4.950 10.807 247 H ARG 32 H ARG 32 -2.927 -0.557 14.615 248 HA ARG 32 HA ARG 32 -2.747 2.147 15.304 249 HB2 ARG 32 HB2 ARG 32 -2.673 1.502 17.573 250 HB3 ARG 32 HB3 ARG 32 -3.609 0.247 16.784 251 HG2 ARG 32 HG2 ARG 32 -2.277 -1.063 18.071 252 HG3 ARG 32 HG3 ARG 32 -1.211 -0.913 16.673 253 HD2 ARG 32 HD2 ARG 32 -0.170 1.068 17.827 254 HD3 ARG 32 HD3 ARG 32 -1.100 0.632 19.257 255 HE ARG 32 HE ARG 32 0.450 -1.549 18.237 256 HH11 ARG 32 HH11 ARG 32 0.554 1.310 20.289 257 HH12 ARG 32 HH12 ARG 32 1.960 0.805 21.151 258 HH21 ARG 32 HH21 ARG 32 2.323 -2.213 19.365 259 HH22 ARG 32 HH22 ARG 32 2.977 -1.212 20.617 260 H LYS 33 H LYS 33 -0.203 -0.322 15.012 261 HA LYS 33 HA LYS 33 1.816 1.538 15.939 262 HB2 LYS 33 HB2 LYS 33 3.460 -0.078 15.407 263 HB3 LYS 33 HB3 LYS 33 2.095 -0.967 16.058 264 HG2 LYS 33 HG2 LYS 33 1.421 -1.561 13.774 265 HG3 LYS 33 HG3 LYS 33 2.830 -0.668 13.175 266 HD2 LYS 33 HD2 LYS 33 4.314 -2.157 14.397 267 HD3 LYS 33 HD3 LYS 33 2.925 -3.047 15.022 268 HE2 LYS 33 HE2 LYS 33 2.305 -3.684 12.745 269 HE3 LYS 33 HE3 LYS 33 3.677 -2.777 12.114 270 HZ1 LYS 33 HZ1 LYS 33 5.151 -4.244 13.314 271 HZ2 LYS 33 HZ2 LYS 33 4.164 -5.125 12.268 272 HZ3 LYS 33 HZ3 LYS 33 3.841 -5.116 13.929 273 H CYS 34 H CYS 34 0.697 0.508 12.750 274 HA CYS 34 HA CYS 34 2.667 1.952 11.347 275 HB2 CYS 34 HB2 CYS 34 1.220 0.277 10.267 276 HB3 CYS 34 HB3 CYS 34 -0.164 1.348 10.469 277 HG CYS 34 HG CYS 34 0.933 3.355 8.801 278 H ALA 35 H ALA 35 -0.611 2.889 12.331 279 HA ALA 35 HA ALA 35 -0.514 5.500 11.288 280 HB1 ALA 35 HB1 ALA 35 -2.599 4.377 11.901 281 HB2 ALA 35 HB2 ALA 35 -2.444 5.933 12.716 282 HB3 ALA 35 HB3 ALA 35 -2.136 4.439 13.601 283 H LEU 36 H LEU 36 0.095 4.296 14.562 284 HA LEU 36 HA LEU 36 0.691 6.829 15.663 285 HB2 LEU 36 HB2 LEU 36 1.506 4.084 16.564 286 HB3 LEU 36 HB3 LEU 36 1.891 5.539 17.459 287 HG LEU 36 HG LEU 36 -0.911 4.634 16.808 288 HD11 LEU 36 HD11 LEU 36 0.676 4.366 19.349 289 HD12 LEU 36 HD12 LEU 36 0.135 3.055 18.303 290 HD13 LEU 36 HD13 LEU 36 -1.045 4.026 19.184 291 HD21 LEU 36 HD21 LEU 36 -0.739 7.039 17.123 292 HD22 LEU 36 HD22 LEU 36 0.132 6.797 18.637 293 HD23 LEU 36 HD23 LEU 36 -1.553 6.298 18.501 294 H LYS 37 H LYS 37 2.768 4.437 14.180 295 HA LYS 37 HA LYS 37 5.197 5.704 14.800 296 HB2 LYS 37 HB2 LYS 37 4.415 3.716 12.680 297 HB3 LYS 37 HB3 LYS 37 6.077 4.283 12.876 298 HG2 LYS 37 HG2 LYS 37 6.201 3.331 15.074 299 HG3 LYS 37 HG3 LYS 37 4.471 2.993 15.078 300 HD2 LYS 37 HD2 LYS 37 5.665 0.960 14.693 301 HD3 LYS 37 HD3 LYS 37 4.827 1.417 13.216 302 HE2 LYS 37 HE2 LYS 37 6.904 2.330 12.300 303 HE3 LYS 37 HE3 LYS 37 7.750 1.933 13.795 304 HZ1 LYS 37 HZ1 LYS 37 7.279 -0.416 13.366 305 HZ2 LYS 37 HZ2 LYS 37 8.175 0.281 12.119 306 HZ3 LYS 37 HZ3 LYS 37 6.528 -0.004 11.908 307 H TYR 38 H TYR 38 3.053 6.054 11.940 308 HA TYR 38 HA TYR 38 4.790 8.306 11.088 309 HB2 TYR 38 HB2 TYR 38 3.401 6.236 9.405 310 HB3 TYR 38 HB3 TYR 38 4.134 7.688 8.731 311 HD1 TYR 38 HD1 TYR 38 4.742 4.421 10.253 312 HD2 TYR 38 HD2 TYR 38 6.583 7.957 8.766 313 HE1 TYR 38 HE1 TYR 38 6.916 3.274 10.232 314 HE2 TYR 38 HE2 TYR 38 8.759 6.817 8.737 315 HH TYR 38 HH TYR 38 9.831 4.896 9.930 316 H HIS 39 H HIS 39 2.103 8.266 12.600 317 HA HIS 39 HA HIS 39 0.172 9.450 10.916 318 HB2 HIS 39 HB2 HIS 39 -0.894 10.299 12.984 319 HB3 HIS 39 HB3 HIS 39 -0.456 8.601 13.115 320 HD2 HIS 39 HD2 HIS 39 2.803 9.691 13.910 321 HE1 HIS 39 HE1 HIS 39 0.755 10.680 17.474 322 HE2 HIS 39 HE2 HIS 39 2.878 9.835 16.490 323 HA PRO 40 HA PRO 40 1.699 13.541 10.142 324 HB2 PRO 40 HB2 PRO 40 -0.693 14.846 9.897 325 HB3 PRO 40 HB3 PRO 40 -0.026 13.802 8.632 326 HG2 PRO 40 HG2 PRO 40 -2.087 13.176 10.718 327 HG3 PRO 40 HG3 PRO 40 -2.091 12.778 8.989 328 HD2 PRO 40 HD2 PRO 40 -1.425 10.958 10.832 329 HD3 PRO 40 HD3 PRO 40 -0.594 11.026 9.261 330 H ASP 41 H ASP 41 -0.300 12.720 12.780 331 HA ASP 41 HA ASP 41 -0.599 15.155 14.115 332 HB2 ASP 41 HB2 ASP 41 -0.399 12.331 15.168 333 HB3 ASP 41 HB3 ASP 41 -0.831 13.714 16.165 334 H LYS 42 H LYS 42 2.166 13.030 13.821 335 HA LYS 42 HA LYS 42 3.700 14.869 15.456 336 HB2 LYS 42 HB2 LYS 42 3.649 11.883 15.807 337 HB3 LYS 42 HB3 LYS 42 4.996 12.859 16.363 338 HG2 LYS 42 HG2 LYS 42 3.446 14.151 17.762 339 HG3 LYS 42 HG3 LYS 42 2.136 13.096 17.241 340 HD2 LYS 42 HD2 LYS 42 3.264 11.171 18.198 341 HD3 LYS 42 HD3 LYS 42 4.626 12.185 18.680 342 HE2 LYS 42 HE2 LYS 42 3.156 13.464 20.150 343 HE3 LYS 42 HE3 LYS 42 1.787 12.471 19.657 344 HZ1 LYS 42 HZ1 LYS 42 2.789 11.803 21.797 345 HZ2 LYS 42 HZ2 LYS 42 4.215 11.398 20.988 346 HZ3 LYS 42 HZ3 LYS 42 2.785 10.572 20.648 347 H ASN 43 H ASN 43 3.389 12.880 12.726 348 HA ASN 43 HA ASN 43 6.183 13.296 11.978 349 HB2 ASN 43 HB2 ASN 43 4.133 11.363 10.898 350 HB3 ASN 43 HB3 ASN 43 5.758 11.536 10.267 351 HD21 ASN 43 HD21 ASN 43 3.807 10.283 12.739 352 HD22 ASN 43 HD22 ASN 43 5.039 9.389 13.570 353 HA PRO 44 HA PRO 44 4.239 16.486 9.480 354 HB2 PRO 44 HB2 PRO 44 6.510 17.748 8.756 355 HB3 PRO 44 HB3 PRO 44 5.810 17.910 10.372 356 HG2 PRO 44 HG2 PRO 44 8.057 16.155 9.454 357 HG3 PRO 44 HG3 PRO 44 7.952 17.164 10.908 358 HD2 PRO 44 HD2 PRO 44 7.499 14.486 10.935 359 HD3 PRO 44 HD3 PRO 44 6.674 15.621 12.048 360 H SER 45 H SER 45 6.491 14.067 8.451 361 HA SER 45 HA SER 45 6.901 14.828 5.786 362 HB2 SER 45 HB2 SER 45 6.635 12.001 6.484 363 HB3 SER 45 HB3 SER 45 7.867 12.794 5.523 364 HG SER 45 HG SER 45 8.881 13.541 7.330 365 H GLU 46 H GLU 46 5.759 14.641 4.084 366 HA GLU 46 HA GLU 46 2.998 14.122 4.209 367 HB2 GLU 46 HB2 GLU 46 3.006 14.413 1.792 368 HB3 GLU 46 HB3 GLU 46 3.896 15.683 2.624 369 HG2 GLU 46 HG2 GLU 46 5.993 14.595 2.018 370 HG3 GLU 46 HG3 GLU 46 5.091 13.331 1.182 371 H GLU 47 H GLU 47 5.717 12.244 3.076 372 HA GLU 47 HA GLU 47 4.270 10.108 1.958 373 HB2 GLU 47 HB2 GLU 47 7.033 10.285 3.103 374 HB3 GLU 47 HB3 GLU 47 6.426 8.890 2.210 375 HG2 GLU 47 HG2 GLU 47 6.013 10.374 0.267 376 HG3 GLU 47 HG3 GLU 47 6.760 11.693 1.161 377 H ALA 48 H ALA 48 5.518 10.744 5.137 378 HA ALA 48 HA ALA 48 4.873 8.288 6.342 379 HB1 ALA 48 HB1 ALA 48 4.935 9.517 8.479 380 HB2 ALA 48 HB2 ALA 48 4.936 11.038 7.589 381 HB3 ALA 48 HB3 ALA 48 6.306 9.935 7.453 382 H ALA 49 H ALA 49 3.158 11.184 5.837 383 HA ALA 49 HA ALA 49 0.730 10.481 7.106 384 HB1 ALA 49 HB1 ALA 49 -0.276 12.324 5.836 385 HB2 ALA 49 HB2 ALA 49 1.177 12.427 4.841 386 HB3 ALA 49 HB3 ALA 49 1.258 12.802 6.562 387 H GLU 50 H GLU 50 1.958 10.046 3.838 388 HA GLU 50 HA GLU 50 -0.350 9.010 2.610 389 HB2 GLU 50 HB2 GLU 50 2.537 8.261 2.106 390 HB3 GLU 50 HB3 GLU 50 1.194 7.951 1.018 391 HG2 GLU 50 HG2 GLU 50 0.858 10.433 0.926 392 HG3 GLU 50 HG3 GLU 50 2.401 10.580 1.788 393 H LYS 51 H LYS 51 2.284 7.515 4.371 394 HA LYS 51 HA LYS 51 1.495 4.829 4.200 395 HB2 LYS 51 HB2 LYS 51 2.994 6.330 6.345 396 HB3 LYS 51 HB3 LYS 51 2.776 4.586 6.368 397 HG2 LYS 51 HG2 LYS 51 4.032 4.354 4.332 398 HG3 LYS 51 HG3 LYS 51 4.135 6.107 4.157 399 HD2 LYS 51 HD2 LYS 51 6.215 5.216 5.050 400 HD3 LYS 51 HD3 LYS 51 5.404 6.234 6.248 401 HE2 LYS 51 HE2 LYS 51 6.290 4.218 7.283 402 HE3 LYS 51 HE3 LYS 51 4.534 4.226 7.370 403 HZ1 LYS 51 HZ1 LYS 51 6.194 2.698 5.425 404 HZ2 LYS 51 HZ2 LYS 51 4.504 2.720 5.442 405 HZ3 LYS 51 HZ3 LYS 51 5.349 2.050 6.737 406 H PHE 52 H PHE 52 0.674 7.366 6.462 407 HA PHE 52 HA PHE 52 -0.916 5.893 8.236 408 HB2 PHE 52 HB2 PHE 52 -0.184 8.195 8.702 409 HB3 PHE 52 HB3 PHE 52 -1.218 8.780 7.399 410 HD1 PHE 52 HD1 PHE 52 -1.090 7.683 10.850 411 HD2 PHE 52 HD2 PHE 52 -3.686 8.652 7.622 412 HE1 PHE 52 HE1 PHE 52 -2.977 7.869 12.419 413 HE2 PHE 52 HE2 PHE 52 -5.573 8.825 9.175 414 HZ PHE 52 HZ PHE 52 -5.217 8.445 11.586 415 H LYS 53 H LYS 53 -1.784 7.657 5.319 416 HA LYS 53 HA LYS 53 -4.526 7.078 5.494 417 HB2 LYS 53 HB2 LYS 53 -2.837 7.853 3.133 418 HB3 LYS 53 HB3 LYS 53 -4.598 7.778 3.115 419 HG2 LYS 53 HG2 LYS 53 -4.531 9.367 5.082 420 HG3 LYS 53 HG3 LYS 53 -2.829 9.579 4.709 421 HD2 LYS 53 HD2 LYS 53 -5.010 10.050 2.682 422 HD3 LYS 53 HD3 LYS 53 -4.299 11.325 3.668 423 HE2 LYS 53 HE2 LYS 53 -2.083 10.767 2.729 424 HE3 LYS 53 HE3 LYS 53 -2.843 9.550 1.707 425 HZ1 LYS 53 HZ1 LYS 53 -2.477 11.624 0.513 426 HZ2 LYS 53 HZ2 LYS 53 -3.424 12.461 1.632 427 HZ3 LYS 53 HZ3 LYS 53 -4.126 11.291 0.642 428 H GLU 54 H GLU 54 -1.894 5.420 3.784 429 HA GLU 54 HA GLU 54 -3.544 3.533 2.485 430 HB2 GLU 54 HB2 GLU 54 -0.647 3.400 3.318 431 HB3 GLU 54 HB3 GLU 54 -1.443 2.166 2.352 432 HG2 GLU 54 HG2 GLU 54 -1.919 3.801 0.625 433 HG3 GLU 54 HG3 GLU 54 -1.153 5.054 1.600 434 H ALA 55 H ALA 55 -1.994 3.607 5.628 435 HA ALA 55 HA ALA 55 -2.627 0.950 6.402 436 HB1 ALA 55 HB1 ALA 55 -2.167 3.391 8.120 437 HB2 ALA 55 HB2 ALA 55 -0.921 2.279 7.555 438 HB3 ALA 55 HB3 ALA 55 -2.159 1.718 8.677 439 H SER 56 H SER 56 -4.207 4.054 6.671 440 HA SER 56 HA SER 56 -6.367 3.255 8.282 441 HB2 SER 56 HB2 SER 56 -6.138 5.526 6.284 442 HB3 SER 56 HB3 SER 56 -7.435 5.371 7.466 443 HG SER 56 HG SER 56 -4.671 5.724 7.969 444 H ALA 57 H ALA 57 -5.986 3.436 4.732 445 HA ALA 57 HA ALA 57 -8.623 2.564 4.123 446 HB1 ALA 57 HB1 ALA 57 -7.758 2.147 1.870 447 HB2 ALA 57 HB2 ALA 57 -6.106 2.296 2.467 448 HB3 ALA 57 HB3 ALA 57 -7.178 3.697 2.483 449 H ALA 58 H ALA 58 -5.606 0.902 4.609 450 HA ALA 58 HA ALA 58 -6.390 -1.708 3.959 451 HB1 ALA 58 HB1 ALA 58 -4.040 -0.946 4.379 452 HB2 ALA 58 HB2 ALA 58 -4.471 -2.444 5.197 453 HB3 ALA 58 HB3 ALA 58 -4.412 -0.932 6.101 454 H TYR 59 H TYR 59 -6.421 0.094 6.989 455 HA TYR 59 HA TYR 59 -7.551 -1.860 8.627 456 HB2 TYR 59 HB2 TYR 59 -6.525 0.123 9.527 457 HB3 TYR 59 HB3 TYR 59 -7.719 1.160 8.749 458 HD1 TYR 59 HD1 TYR 59 -7.133 -1.301 11.425 459 HD2 TYR 59 HD2 TYR 59 -9.844 1.539 9.797 460 HE1 TYR 59 HE1 TYR 59 -8.469 -1.404 13.475 461 HE2 TYR 59 HE2 TYR 59 -11.191 1.438 11.848 462 HH TYR 59 HH TYR 59 -11.593 -0.111 13.713 463 H GLU 60 H GLU 60 -8.992 0.519 6.499 464 HA GLU 60 HA GLU 60 -11.610 0.360 7.381 465 HB2 GLU 60 HB2 GLU 60 -10.540 0.927 4.621 466 HB3 GLU 60 HB3 GLU 60 -12.222 1.137 5.078 467 HG2 GLU 60 HG2 GLU 60 -9.851 2.595 6.210 468 HG3 GLU 60 HG3 GLU 60 -11.076 3.247 5.125 469 H ILE 61 H ILE 61 -9.891 -1.629 5.002 470 HA ILE 61 HA ILE 61 -12.326 -3.231 4.620 471 HB ILE 61 HB ILE 61 -10.915 -4.489 2.940 472 HG12 ILE 61 HG12 ILE 61 -9.052 -2.131 3.321 473 HG13 ILE 61 HG13 ILE 61 -8.711 -3.784 3.814 474 HG21 ILE 61 HG21 ILE 61 -12.570 -2.859 2.263 475 HG22 ILE 61 HG22 ILE 61 -11.150 -2.731 1.225 476 HG23 ILE 61 HG23 ILE 61 -11.418 -1.548 2.505 477 HD11 ILE 61 HD11 ILE 61 -8.766 -4.498 1.498 478 HD12 ILE 61 HD12 ILE 61 -7.598 -3.199 1.733 479 HD13 ILE 61 HD13 ILE 61 -9.162 -2.857 0.993 480 H LEU 62 H LEU 62 -8.984 -3.727 5.603 481 HA LEU 62 HA LEU 62 -9.258 -6.428 6.180 482 HB2 LEU 62 HB2 LEU 62 -7.352 -4.351 7.126 483 HB3 LEU 62 HB3 LEU 62 -7.129 -6.078 7.461 484 HG LEU 62 HG LEU 62 -7.225 -4.744 4.760 485 HD11 LEU 62 HD11 LEU 62 -5.158 -4.287 5.931 486 HD12 LEU 62 HD12 LEU 62 -4.866 -5.401 4.595 487 HD13 LEU 62 HD13 LEU 62 -4.930 -6.006 6.251 488 HD21 LEU 62 HD21 LEU 62 -6.834 -7.640 5.484 489 HD22 LEU 62 HD22 LEU 62 -6.546 -6.958 3.884 490 HD23 LEU 62 HD23 LEU 62 -8.170 -6.939 4.569 491 H SER 63 H SER 63 -9.754 -3.626 8.335 492 HA SER 63 HA SER 63 -9.910 -5.123 10.729 493 HB2 SER 63 HB2 SER 63 -9.616 -2.658 10.661 494 HB3 SER 63 HB3 SER 63 -11.277 -2.499 10.097 495 HG SER 63 HG SER 63 -11.798 -3.742 12.097 496 H ASP 64 H ASP 64 -11.906 -5.233 8.094 497 HA ASP 64 HA ASP 64 -14.144 -6.173 9.732 498 HB2 ASP 64 HB2 ASP 64 -14.297 -4.835 7.018 499 HB3 ASP 64 HB3 ASP 64 -15.657 -5.595 7.837 500 HA PRO 65 HA PRO 65 -12.455 -9.966 8.109 501 HB2 PRO 65 HB2 PRO 65 -15.146 -10.876 9.012 502 HB3 PRO 65 HB3 PRO 65 -13.551 -11.571 9.345 503 HG2 PRO 65 HG2 PRO 65 -14.819 -10.146 11.165 504 HG3 PRO 65 HG3 PRO 65 -13.047 -9.968 10.975 505 HD2 PRO 65 HD2 PRO 65 -15.296 -8.181 10.135 506 HD3 PRO 65 HD3 PRO 65 -13.675 -7.749 10.697 507 H GLU 66 H GLU 66 -15.593 -8.743 7.344 508 HA GLU 66 HA GLU 66 -16.027 -10.668 5.230 509 HB2 GLU 66 HB2 GLU 66 -18.067 -9.306 4.744 510 HB3 GLU 66 HB3 GLU 66 -17.996 -9.959 6.374 511 HG2 GLU 66 HG2 GLU 66 -17.195 -7.775 7.174 512 HG3 GLU 66 HG3 GLU 66 -17.401 -7.134 5.539 513 H LYS 67 H LYS 67 -14.869 -7.417 5.591 514 HA LYS 67 HA LYS 67 -14.835 -6.850 2.788 515 HB2 LYS 67 HB2 LYS 67 -13.786 -5.553 5.282 516 HB3 LYS 67 HB3 LYS 67 -13.572 -4.832 3.671 517 HG2 LYS 67 HG2 LYS 67 -16.201 -5.422 5.036 518 HG3 LYS 67 HG3 LYS 67 -15.428 -3.838 4.942 519 HD2 LYS 67 HD2 LYS 67 -15.560 -3.941 2.489 520 HD3 LYS 67 HD3 LYS 67 -16.379 -5.499 2.612 521 HE2 LYS 67 HE2 LYS 67 -18.194 -4.441 3.855 522 HE3 LYS 67 HE3 LYS 67 -17.379 -2.884 3.727 523 HZ1 LYS 67 HZ1 LYS 67 -17.574 -3.012 1.332 524 HZ2 LYS 67 HZ2 LYS 67 -19.103 -3.135 2.044 525 HZ3 LYS 67 HZ3 LYS 67 -18.337 -4.515 1.444 526 H ARG 68 H ARG 68 -12.899 -8.106 5.285 527 HA ARG 68 HA ARG 68 -10.334 -7.836 4.199 528 HB2 ARG 68 HB2 ARG 68 -11.207 -8.396 6.599 529 HB3 ARG 68 HB3 ARG 68 -11.232 -10.046 6.016 530 HG2 ARG 68 HG2 ARG 68 -8.716 -9.079 5.319 531 HG3 ARG 68 HG3 ARG 68 -9.029 -8.462 6.925 532 HD2 ARG 68 HD2 ARG 68 -7.940 -10.681 7.000 533 HD3 ARG 68 HD3 ARG 68 -9.512 -10.649 7.794 534 HE ARG 68 HE ARG 68 -10.432 -11.842 5.942 535 HH11 ARG 68 HH11 ARG 68 -6.944 -11.661 5.990 536 HH12 ARG 68 HH12 ARG 68 -6.708 -12.950 4.868 537 HH21 ARG 68 HH21 ARG 68 -10.168 -13.568 4.449 538 HH22 ARG 68 HH22 ARG 68 -8.569 -14.051 3.987 539 H ASP 69 H ASP 69 -12.783 -10.405 4.221 540 HA ASP 69 HA ASP 69 -11.256 -12.238 2.677 541 HB2 ASP 69 HB2 ASP 69 -14.203 -12.126 3.321 542 HB3 ASP 69 HB3 ASP 69 -13.477 -13.411 2.360 543 H ILE 70 H ILE 70 -13.639 -9.812 1.986 544 HA ILE 70 HA ILE 70 -13.930 -10.329 -0.760 545 HB ILE 70 HB ILE 70 -14.237 -7.875 0.925 546 HG12 ILE 70 HG12 ILE 70 -15.908 -9.581 1.245 547 HG13 ILE 70 HG13 ILE 70 -16.639 -8.196 0.443 548 HG21 ILE 70 HG21 ILE 70 -14.831 -8.083 -2.047 549 HG22 ILE 70 HG22 ILE 70 -13.587 -7.078 -1.306 550 HG23 ILE 70 HG23 ILE 70 -15.291 -6.729 -1.015 551 HD11 ILE 70 HD11 ILE 70 -15.826 -10.794 -0.844 552 HD12 ILE 70 HD12 ILE 70 -16.457 -9.391 -1.707 553 HD13 ILE 70 HD13 ILE 70 -17.465 -10.229 -0.530 554 H TYR 71 H TYR 71 -11.747 -8.147 1.003 555 HA TYR 71 HA TYR 71 -10.300 -7.307 -1.249 556 HB2 TYR 71 HB2 TYR 71 -10.020 -6.110 0.826 557 HB3 TYR 71 HB3 TYR 71 -9.370 -7.547 1.616 558 HD1 TYR 71 HD1 TYR 71 -8.681 -5.376 -1.357 559 HD2 TYR 71 HD2 TYR 71 -7.071 -7.746 1.786 560 HE1 TYR 71 HE1 TYR 71 -6.409 -4.743 -2.051 561 HE2 TYR 71 HE2 TYR 71 -4.797 -7.117 1.100 562 HH TYR 71 HH TYR 71 -4.207 -4.647 -1.264 563 H ASP 72 H ASP 72 -9.817 -10.039 0.866 564 HA ASP 72 HA ASP 72 -7.392 -10.976 -0.184 565 HB2 ASP 72 HB2 ASP 72 -8.415 -11.824 1.896 566 HB3 ASP 72 HB3 ASP 72 -9.685 -12.592 0.952 567 H GLN 73 H GLN 73 -10.707 -11.550 -1.205 568 HA GLN 73 HA GLN 73 -10.158 -13.520 -3.172 569 HB2 GLN 73 HB2 GLN 73 -12.518 -11.708 -2.731 570 HB3 GLN 73 HB3 GLN 73 -12.468 -12.930 -3.992 571 HG2 GLN 73 HG2 GLN 73 -12.282 -14.679 -2.371 572 HG3 GLN 73 HG3 GLN 73 -12.112 -13.494 -1.074 573 HE21 GLN 73 HE21 GLN 73 -13.883 -12.482 -0.286 574 HE22 GLN 73 HE22 GLN 73 -15.506 -12.925 -0.691 575 H PHE 74 H PHE 74 -10.507 -10.011 -3.327 576 HA PHE 74 HA PHE 74 -10.044 -10.127 -6.220 577 HB2 PHE 74 HB2 PHE 74 -10.950 -7.835 -4.473 578 HB3 PHE 74 HB3 PHE 74 -10.686 -7.722 -6.210 579 HD1 PHE 74 HD1 PHE 74 -12.957 -8.707 -3.596 580 HD2 PHE 74 HD2 PHE 74 -12.111 -9.078 -7.746 581 HE1 PHE 74 HE1 PHE 74 -15.263 -9.470 -3.993 582 HE2 PHE 74 HE2 PHE 74 -14.411 -9.839 -8.150 583 HZ PHE 74 HZ PHE 74 -15.993 -10.035 -6.274 584 H GLY 75 H GLY 75 -8.228 -9.939 -3.546 585 HA2 GLY 75 HA2 GLY 75 -6.435 -7.820 -4.270 586 HA3 GLY 75 HA3 GLY 75 -6.165 -9.037 -3.030 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 14.229 7.170 -0.734 2 H2 GLY 1 HT2 GLY 1 14.459 6.010 -1.939 3 H3 GLY 1 HT3 GLY 1 14.434 5.544 -0.319 4 HA2 GLY 1 HA3 GLY 1 12.365 4.959 -1.360 5 HA3 GLY 1 HA2 GLY 1 12.120 6.199 -0.138 6 H GLU 2 H GLU 2 10.355 7.187 -0.941 7 HA GLU 2 HA GLU 2 9.082 8.560 -2.186 8 HB2 GLU 2 HB2 GLU 2 11.656 9.217 -3.606 9 HB3 GLU 2 HB3 GLU 2 10.145 10.091 -3.804 10 HG2 GLU 2 HG2 GLU 2 10.201 10.686 -1.425 11 HG3 GLU 2 HG3 GLU 2 11.748 9.852 -1.272 12 H PHE 3 H PHE 3 9.236 5.860 -2.868 13 HA PHE 3 HA PHE 3 8.489 6.050 -5.698 14 HB2 PHE 3 HB2 PHE 3 9.644 3.670 -4.224 15 HB3 PHE 3 HB3 PHE 3 8.953 3.586 -5.840 16 HD1 PHE 3 HD1 PHE 3 11.844 4.452 -3.867 17 HD2 PHE 3 HD2 PHE 3 10.048 4.816 -7.703 18 HE1 PHE 3 HE1 PHE 3 14.023 5.060 -4.828 19 HE2 PHE 3 HE2 PHE 3 12.226 5.424 -8.669 20 HZ PHE 3 HZ PHE 3 14.217 5.546 -7.230 21 H GLY 4 H GLY 4 6.494 5.390 -6.230 22 HA2 GLY 4 HA2 GLY 4 4.571 5.325 -4.152 23 HA3 GLY 4 HA3 GLY 4 4.253 5.090 -5.862 24 H SER 5 H SER 5 3.146 3.758 -3.537 25 HA SER 5 HA SER 5 4.033 1.010 -4.030 26 HB2 SER 5 HB2 SER 5 4.168 1.701 -1.668 27 HB3 SER 5 HB3 SER 5 2.468 2.161 -1.698 28 HG SER 5 HG SER 5 1.944 0.163 -1.405 29 H MET 6 H MET 6 2.439 -0.562 -4.468 30 HA MET 6 HA MET 6 0.017 0.606 -5.615 31 HB2 MET 6 HB2 MET 6 1.325 -2.054 -6.183 32 HB3 MET 6 HB3 MET 6 -0.153 -1.473 -6.939 33 HG2 MET 6 HG2 MET 6 2.536 -0.137 -7.129 34 HG3 MET 6 HG3 MET 6 1.809 -1.154 -8.371 35 HE1 MET 6 HE1 MET 6 2.281 0.918 -10.062 36 HE2 MET 6 HE2 MET 6 2.885 1.904 -8.732 37 HE3 MET 6 HE3 MET 6 1.636 2.538 -9.802 38 H VAL 7 H VAL 7 -2.004 -0.122 -5.122 39 HA VAL 7 HA VAL 7 -2.153 -1.619 -2.610 40 HB VAL 7 HB VAL 7 -4.413 -0.557 -2.390 41 HG11 VAL 7 HG11 VAL 7 -3.564 1.670 -1.807 42 HG12 VAL 7 HG12 VAL 7 -2.082 1.331 -2.701 43 HG13 VAL 7 HG13 VAL 7 -2.479 0.390 -1.264 44 HG21 VAL 7 HG21 VAL 7 -3.523 1.066 -4.782 45 HG22 VAL 7 HG22 VAL 7 -4.969 1.358 -3.815 46 HG23 VAL 7 HG23 VAL 7 -4.830 -0.118 -4.771 47 H LYS 8 H LYS 8 -1.830 -3.267 -4.767 48 HA LYS 8 HA LYS 8 -4.507 -4.072 -5.572 49 HB2 LYS 8 HB2 LYS 8 -1.823 -4.378 -6.823 50 HB3 LYS 8 HB3 LYS 8 -3.005 -5.651 -7.105 51 HG2 LYS 8 HG2 LYS 8 -3.138 -4.060 -8.899 52 HG3 LYS 8 HG3 LYS 8 -4.599 -3.934 -7.920 53 HD2 LYS 8 HD2 LYS 8 -3.075 -2.091 -6.695 54 HD3 LYS 8 HD3 LYS 8 -2.402 -1.995 -8.323 55 HE2 LYS 8 HE2 LYS 8 -5.290 -1.634 -7.523 56 HE3 LYS 8 HE3 LYS 8 -4.191 -0.383 -8.094 57 HZ1 LYS 8 HZ1 LYS 8 -5.174 -2.694 -9.674 58 HZ2 LYS 8 HZ2 LYS 8 -4.096 -1.524 -10.236 59 HZ3 LYS 8 HZ3 LYS 8 -5.679 -1.092 -9.839 60 H GLU 9 H GLU 9 -4.785 -6.467 -5.813 61 HA GLU 9 HA GLU 9 -5.060 -7.773 -3.512 62 HB2 GLU 9 HB2 GLU 9 -4.993 -9.922 -4.656 63 HB3 GLU 9 HB3 GLU 9 -5.842 -8.712 -5.598 64 HG2 GLU 9 HG2 GLU 9 -3.890 -8.439 -7.020 65 HG3 GLU 9 HG3 GLU 9 -3.017 -9.624 -6.054 66 H THR 10 H THR 10 -4.055 -8.860 -2.038 67 HA THR 10 HA THR 10 -2.529 -9.765 -0.691 68 HB THR 10 HB THR 10 -0.475 -10.829 -1.440 69 HG1 THR 10 HG1 THR 10 -0.966 -9.441 -3.871 70 HG21 THR 10 HG21 THR 10 -2.549 -12.046 -1.815 71 HG22 THR 10 HG22 THR 10 -1.392 -12.391 -3.102 72 HG23 THR 10 HG23 THR 10 -2.732 -11.280 -3.393 73 H LYS 11 H LYS 11 -1.334 -7.344 -2.788 74 HA LYS 11 HA LYS 11 0.815 -6.377 -1.277 75 HB2 LYS 11 HB2 LYS 11 -1.005 -4.870 -3.121 76 HB3 LYS 11 HB3 LYS 11 0.478 -4.199 -2.444 77 HG2 LYS 11 HG2 LYS 11 1.762 -6.011 -3.508 78 HG3 LYS 11 HG3 LYS 11 0.256 -6.628 -4.194 79 HD2 LYS 11 HD2 LYS 11 -0.026 -4.566 -5.463 80 HD3 LYS 11 HD3 LYS 11 1.457 -3.917 -4.754 81 HE2 LYS 11 HE2 LYS 11 2.739 -5.743 -5.760 82 HE3 LYS 11 HE3 LYS 11 1.263 -6.401 -6.459 83 HZ1 LYS 11 HZ1 LYS 11 1.040 -4.409 -7.796 84 HZ2 LYS 11 HZ2 LYS 11 2.546 -5.116 -8.053 85 HZ3 LYS 11 HZ3 LYS 11 2.427 -3.742 -7.087 86 H PHE 12 H PHE 12 -2.577 -5.932 -0.773 87 HA PHE 12 HA PHE 12 -2.372 -3.679 0.943 88 HB2 PHE 12 HB2 PHE 12 -4.499 -5.671 0.378 89 HB3 PHE 12 HB3 PHE 12 -4.579 -4.851 1.935 90 HD1 PHE 12 HD1 PHE 12 -6.148 -4.767 -0.974 91 HD2 PHE 12 HD2 PHE 12 -3.712 -2.174 1.352 92 HE1 PHE 12 HE1 PHE 12 -7.232 -2.815 -2.009 93 HE2 PHE 12 HE2 PHE 12 -4.788 -0.225 0.328 94 HZ PHE 12 HZ PHE 12 -6.551 -0.535 -1.344 95 H TYR 13 H TYR 13 -2.052 -7.105 1.388 96 HA TYR 13 HA TYR 13 -1.998 -6.990 4.271 97 HB2 TYR 13 HB2 TYR 13 -0.990 -9.144 2.391 98 HB3 TYR 13 HB3 TYR 13 -1.075 -9.298 4.142 99 HD1 TYR 13 HD1 TYR 13 -2.805 -9.676 1.065 100 HD2 TYR 13 HD2 TYR 13 -3.400 -9.187 5.230 101 HE1 TYR 13 HE1 TYR 13 -5.081 -10.577 0.829 102 HE2 TYR 13 HE2 TYR 13 -5.679 -10.084 5.019 103 HH TYR 13 HH TYR 13 -6.770 -11.643 2.175 104 H ASP 14 H ASP 14 0.358 -7.200 1.673 105 HA ASP 14 HA ASP 14 2.732 -7.110 3.141 106 HB2 ASP 14 HB2 ASP 14 2.039 -6.089 0.407 107 HB3 ASP 14 HB3 ASP 14 3.660 -5.939 1.057 108 H ILE 15 H ILE 15 0.761 -4.453 1.943 109 HA ILE 15 HA ILE 15 2.429 -2.368 2.733 110 HB ILE 15 HB ILE 15 -0.510 -2.584 2.260 111 HG12 ILE 15 HG12 ILE 15 1.619 -1.080 0.738 112 HG13 ILE 15 HG13 ILE 15 1.064 -2.729 0.364 113 HG21 ILE 15 HG21 ILE 15 0.980 -0.061 3.019 114 HG22 ILE 15 HG22 ILE 15 -0.329 -0.824 3.919 115 HG23 ILE 15 HG23 ILE 15 -0.649 -0.091 2.347 116 HD11 ILE 15 HD11 ILE 15 -0.614 -0.226 0.306 117 HD12 ILE 15 HD12 ILE 15 -1.177 -1.856 -0.063 118 HD13 ILE 15 HD13 ILE 15 0.028 -1.083 -1.093 119 H LEU 16 H LEU 16 -0.370 -3.718 4.498 120 HA LEU 16 HA LEU 16 0.201 -2.282 6.852 121 HB2 LEU 16 HB2 LEU 16 -1.384 -4.806 6.470 122 HB3 LEU 16 HB3 LEU 16 -1.252 -3.988 8.014 123 HG LEU 16 HG LEU 16 -2.512 -2.839 5.508 124 HD11 LEU 16 HD11 LEU 16 -4.594 -3.069 6.700 125 HD12 LEU 16 HD12 LEU 16 -3.751 -3.772 8.081 126 HD13 LEU 16 HD13 LEU 16 -3.801 -4.639 6.547 127 HD21 LEU 16 HD21 LEU 16 -2.270 -1.721 8.302 128 HD22 LEU 16 HD22 LEU 16 -3.237 -1.028 7.001 129 HD23 LEU 16 HD23 LEU 16 -1.482 -1.092 6.853 130 H GLY 17 H GLY 17 1.538 -5.274 5.664 131 HA2 GLY 17 HA2 GLY 17 3.561 -6.189 6.473 132 HA3 GLY 17 HA3 GLY 17 3.331 -5.309 7.982 133 H VAL 18 H VAL 18 0.661 -6.883 6.699 134 HA VAL 18 HA VAL 18 0.770 -8.922 8.832 135 HB VAL 18 HB VAL 18 -1.686 -9.070 8.631 136 HG11 VAL 18 HG11 VAL 18 -0.667 -6.282 9.082 137 HG12 VAL 18 HG12 VAL 18 -0.700 -7.588 10.267 138 HG13 VAL 18 HG13 VAL 18 -2.210 -6.925 9.644 139 HG21 VAL 18 HG21 VAL 18 -2.921 -7.397 7.336 140 HG22 VAL 18 HG22 VAL 18 -1.914 -8.404 6.295 141 HG23 VAL 18 HG23 VAL 18 -1.399 -6.770 6.702 142 HA PRO 19 HA PRO 19 0.800 -12.126 5.728 143 HB2 PRO 19 HB2 PRO 19 -0.588 -14.085 6.975 144 HB3 PRO 19 HB3 PRO 19 1.056 -13.642 7.471 145 HG2 PRO 19 HG2 PRO 19 -1.574 -12.812 8.638 146 HG3 PRO 19 HG3 PRO 19 -0.116 -13.375 9.478 147 HD2 PRO 19 HD2 PRO 19 -0.744 -10.755 9.283 148 HD3 PRO 19 HD3 PRO 19 0.940 -11.304 9.257 149 H VAL 20 H VAL 20 -0.637 -13.263 4.261 150 HA VAL 20 HA VAL 20 -2.995 -11.936 3.597 151 HB VAL 20 HB VAL 20 -2.086 -14.753 2.912 152 HG11 VAL 20 HG11 VAL 20 -3.653 -14.619 1.019 153 HG12 VAL 20 HG12 VAL 20 -4.270 -13.096 1.660 154 HG13 VAL 20 HG13 VAL 20 -4.475 -14.587 2.578 155 HG21 VAL 20 HG21 VAL 20 -1.873 -12.169 1.370 156 HG22 VAL 20 HG22 VAL 20 -1.383 -13.758 0.783 157 HG23 VAL 20 HG23 VAL 20 -0.547 -13.028 2.154 158 H THR 21 H THR 21 -2.271 -14.567 5.704 159 HA THR 21 HA THR 21 -5.029 -15.354 6.203 160 HB THR 21 HB THR 21 -2.661 -16.336 7.768 161 HG1 THR 21 HG1 THR 21 -3.372 -17.522 5.293 162 HG21 THR 21 HG21 THR 21 -4.913 -17.149 8.355 163 HG22 THR 21 HG22 THR 21 -3.922 -18.453 7.703 164 HG23 THR 21 HG23 THR 21 -5.153 -17.693 6.695 165 H ALA 22 H ALA 22 -3.749 -12.644 7.011 166 HA ALA 22 HA ALA 22 -3.269 -12.519 9.750 167 HB1 ALA 22 HB1 ALA 22 -4.353 -10.304 8.043 168 HB2 ALA 22 HB2 ALA 22 -2.660 -10.788 8.112 169 HB3 ALA 22 HB3 ALA 22 -3.455 -10.150 9.553 170 H THR 23 H THR 23 -4.376 -11.731 11.447 171 HA THR 23 HA THR 23 -7.265 -12.163 11.405 172 HB THR 23 HB THR 23 -7.054 -12.096 13.895 173 HG1 THR 23 HG1 THR 23 -4.246 -12.046 13.362 174 HG21 THR 23 HG21 THR 23 -5.196 -14.043 12.526 175 HG22 THR 23 HG22 THR 23 -6.937 -14.243 12.722 176 HG23 THR 23 HG23 THR 23 -5.884 -14.242 14.137 177 H ASP 24 H ASP 24 -8.558 -10.575 12.759 178 HA ASP 24 HA ASP 24 -8.407 -8.004 11.761 179 HB2 ASP 24 HB2 ASP 24 -9.708 -8.985 14.304 180 HB3 ASP 24 HB3 ASP 24 -10.034 -7.434 13.541 181 H VAL 25 H VAL 25 -7.143 -9.324 14.785 182 HA VAL 25 HA VAL 25 -6.470 -6.864 15.977 183 HB VAL 25 HB VAL 25 -5.380 -9.646 16.414 184 HG11 VAL 25 HG11 VAL 25 -3.739 -8.008 17.161 185 HG12 VAL 25 HG12 VAL 25 -4.489 -8.807 18.543 186 HG13 VAL 25 HG13 VAL 25 -4.979 -7.173 18.097 187 HG21 VAL 25 HG21 VAL 25 -7.404 -8.020 17.943 188 HG22 VAL 25 HG22 VAL 25 -6.801 -9.608 18.414 189 HG23 VAL 25 HG23 VAL 25 -7.738 -9.424 16.930 190 H GLU 26 H GLU 26 -4.720 -9.096 13.894 191 HA GLU 26 HA GLU 26 -2.153 -7.831 14.093 192 HB2 GLU 26 HB2 GLU 26 -3.364 -9.663 12.029 193 HB3 GLU 26 HB3 GLU 26 -1.693 -9.112 11.969 194 HG2 GLU 26 HG2 GLU 26 -1.228 -10.211 14.062 195 HG3 GLU 26 HG3 GLU 26 -2.920 -10.685 14.216 196 H ILE 27 H ILE 27 -4.875 -7.645 11.996 197 HA ILE 27 HA ILE 27 -3.846 -5.884 10.079 198 HB ILE 27 HB ILE 27 -6.643 -6.600 10.962 199 HG12 ILE 27 HG12 ILE 27 -5.160 -7.225 8.400 200 HG13 ILE 27 HG13 ILE 27 -5.159 -8.274 9.812 201 HG21 ILE 27 HG21 ILE 27 -5.841 -4.850 8.615 202 HG22 ILE 27 HG22 ILE 27 -6.701 -4.310 10.055 203 HG23 ILE 27 HG23 ILE 27 -7.469 -5.443 8.943 204 HD11 ILE 27 HD11 ILE 27 -7.537 -8.587 9.621 205 HD12 ILE 27 HD12 ILE 27 -6.757 -8.971 8.086 206 HD13 ILE 27 HD13 ILE 27 -7.612 -7.441 8.287 207 H LYS 28 H LYS 28 -5.758 -5.321 13.038 208 HA LYS 28 HA LYS 28 -5.969 -2.572 12.708 209 HB2 LYS 28 HB2 LYS 28 -7.444 -3.884 14.133 210 HB3 LYS 28 HB3 LYS 28 -6.098 -4.231 15.210 211 HG2 LYS 28 HG2 LYS 28 -5.872 -1.860 15.672 212 HG3 LYS 28 HG3 LYS 28 -7.256 -1.538 14.628 213 HD2 LYS 28 HD2 LYS 28 -7.327 -3.293 17.075 214 HD3 LYS 28 HD3 LYS 28 -7.823 -1.599 17.050 215 HE2 LYS 28 HE2 LYS 28 -9.521 -2.143 15.348 216 HE3 LYS 28 HE3 LYS 28 -9.041 -3.837 15.428 217 HZ1 LYS 28 HZ1 LYS 28 -10.989 -3.439 16.756 218 HZ2 LYS 28 HZ2 LYS 28 -10.196 -2.246 17.648 219 HZ3 LYS 28 HZ3 LYS 28 -9.698 -3.861 17.760 220 H LYS 29 H LYS 29 -3.643 -4.526 14.500 221 HA LYS 29 HA LYS 29 -2.381 -2.241 15.560 222 HB2 LYS 29 HB2 LYS 29 -0.594 -3.704 16.349 223 HB3 LYS 29 HB3 LYS 29 -2.180 -4.324 16.750 224 HG2 LYS 29 HG2 LYS 29 -2.040 -5.932 14.981 225 HG3 LYS 29 HG3 LYS 29 -0.467 -5.309 14.474 226 HD2 LYS 29 HD2 LYS 29 0.436 -5.838 16.729 227 HD3 LYS 29 HD3 LYS 29 -1.127 -6.519 17.170 228 HE2 LYS 29 HE2 LYS 29 -0.883 -8.222 15.448 229 HE3 LYS 29 HE3 LYS 29 0.658 -7.517 14.956 230 HZ1 LYS 29 HZ1 LYS 29 1.508 -8.002 17.184 231 HZ2 LYS 29 HZ2 LYS 29 1.028 -9.401 16.372 232 HZ3 LYS 29 HZ3 LYS 29 0.048 -8.755 17.582 233 H ALA 30 H ALA 30 -1.820 -4.152 12.714 234 HA ALA 30 HA ALA 30 0.531 -2.964 11.850 235 HB1 ALA 30 HB1 ALA 30 -0.430 -4.980 10.851 236 HB2 ALA 30 HB2 ALA 30 -0.088 -3.741 9.645 237 HB3 ALA 30 HB3 ALA 30 -1.746 -4.014 10.186 238 H TYR 31 H TYR 31 -2.863 -2.085 11.497 239 HA TYR 31 HA TYR 31 -2.489 0.127 9.824 240 HB2 TYR 31 HB2 TYR 31 -4.692 -0.725 10.021 241 HB3 TYR 31 HB3 TYR 31 -4.655 -0.621 11.782 242 HD1 TYR 31 HD1 TYR 31 -4.496 1.552 8.740 243 HD2 TYR 31 HD2 TYR 31 -5.605 1.206 12.831 244 HE1 TYR 31 HE1 TYR 31 -5.526 3.788 8.651 245 HE2 TYR 31 HE2 TYR 31 -6.637 3.431 12.750 246 HH TYR 31 HH TYR 31 -7.307 5.063 9.901 247 H ARG 32 H ARG 32 -2.742 -0.173 13.363 248 HA ARG 32 HA ARG 32 -2.445 2.588 13.808 249 HB2 ARG 32 HB2 ARG 32 -2.058 2.143 16.119 250 HB3 ARG 32 HB3 ARG 32 -3.237 0.966 15.560 251 HG2 ARG 32 HG2 ARG 32 -1.561 -0.723 15.452 252 HG3 ARG 32 HG3 ARG 32 -0.298 0.411 15.827 253 HD2 ARG 32 HD2 ARG 32 -1.341 0.829 18.012 254 HD3 ARG 32 HD3 ARG 32 -2.563 -0.391 17.648 255 HE ARG 32 HE ARG 32 -0.098 -1.606 17.302 256 HH11 ARG 32 HH11 ARG 32 -1.895 -0.173 19.963 257 HH12 ARG 32 HH12 ARG 32 -1.108 -1.127 21.167 258 HH21 ARG 32 HH21 ARG 32 0.930 -2.881 18.905 259 HH22 ARG 32 HH22 ARG 32 0.505 -2.662 20.571 260 H LYS 33 H LYS 33 0.003 -0.019 13.613 261 HA LYS 33 HA LYS 33 2.126 1.782 14.330 262 HB2 LYS 33 HB2 LYS 33 3.684 0.081 13.791 263 HB3 LYS 33 HB3 LYS 33 2.315 -0.721 14.538 264 HG2 LYS 33 HG2 LYS 33 1.524 -1.407 12.328 265 HG3 LYS 33 HG3 LYS 33 2.910 -0.575 11.606 266 HD2 LYS 33 HD2 LYS 33 4.437 -2.043 12.814 267 HD3 LYS 33 HD3 LYS 33 3.070 -2.877 13.552 268 HE2 LYS 33 HE2 LYS 33 2.323 -3.619 11.349 269 HE3 LYS 33 HE3 LYS 33 3.654 -2.748 10.594 270 HZ1 LYS 33 HZ1 LYS 33 5.207 -4.178 11.734 271 HZ2 LYS 33 HZ2 LYS 33 4.126 -5.121 10.845 272 HZ3 LYS 33 HZ3 LYS 33 3.953 -4.988 12.519 273 H CYS 34 H CYS 34 0.833 0.702 11.218 274 HA CYS 34 HA CYS 34 2.813 2.009 9.704 275 HB2 CYS 34 HB2 CYS 34 1.224 0.391 8.728 276 HB3 CYS 34 HB3 CYS 34 -0.082 1.554 8.943 277 HG CYS 34 HG CYS 34 0.593 3.232 6.977 278 H ALA 35 H ALA 35 -0.365 3.146 10.813 279 HA ALA 35 HA ALA 35 -0.172 5.729 9.715 280 HB1 ALA 35 HB1 ALA 35 -1.990 6.298 11.253 281 HB2 ALA 35 HB2 ALA 35 -1.739 4.780 12.112 282 HB3 ALA 35 HB3 ALA 35 -2.287 4.765 10.436 283 H LEU 36 H LEU 36 0.602 4.507 12.951 284 HA LEU 36 HA LEU 36 1.363 7.004 14.039 285 HB2 LEU 36 HB2 LEU 36 2.111 4.206 14.852 286 HB3 LEU 36 HB3 LEU 36 2.570 5.633 15.758 287 HG LEU 36 HG LEU 36 -0.276 4.762 15.235 288 HD11 LEU 36 HD11 LEU 36 0.874 3.210 16.694 289 HD12 LEU 36 HD12 LEU 36 -0.326 4.151 17.580 290 HD13 LEU 36 HD13 LEU 36 1.387 4.545 17.726 291 HD21 LEU 36 HD21 LEU 36 0.874 6.960 16.951 292 HD22 LEU 36 HD22 LEU 36 -0.813 6.453 16.953 293 HD23 LEU 36 HD23 LEU 36 -0.110 7.163 15.501 294 H LYS 37 H LYS 37 3.213 4.521 12.416 295 HA LYS 37 HA LYS 37 5.765 5.644 12.905 296 HB2 LYS 37 HB2 LYS 37 4.739 3.652 10.888 297 HB3 LYS 37 HB3 LYS 37 6.438 4.122 10.975 298 HG2 LYS 37 HG2 LYS 37 6.681 3.146 13.124 299 HG3 LYS 37 HG3 LYS 37 4.934 3.008 13.335 300 HD2 LYS 37 HD2 LYS 37 5.844 0.837 12.854 301 HD3 LYS 37 HD3 LYS 37 4.879 1.377 11.490 302 HE2 LYS 37 HE2 LYS 37 6.891 0.368 10.638 303 HE3 LYS 37 HE3 LYS 37 6.967 2.103 10.348 304 HZ1 LYS 37 HZ1 LYS 37 8.406 2.320 12.280 305 HZ2 LYS 37 HZ2 LYS 37 9.065 1.246 11.158 306 HZ3 LYS 37 HZ3 LYS 37 8.323 0.653 12.553 307 H TYR 38 H TYR 38 3.493 5.929 10.174 308 HA TYR 38 HA TYR 38 5.306 7.912 8.955 309 HB2 TYR 38 HB2 TYR 38 3.324 6.008 7.751 310 HB3 TYR 38 HB3 TYR 38 4.102 7.272 6.805 311 HD1 TYR 38 HD1 TYR 38 4.547 4.094 8.556 312 HD2 TYR 38 HD2 TYR 38 6.522 7.152 6.356 313 HE1 TYR 38 HE1 TYR 38 6.499 2.629 8.288 314 HE2 TYR 38 HE2 TYR 38 8.480 5.690 6.074 315 HH TYR 38 HH TYR 38 8.407 2.348 6.847 316 H HIS 39 H HIS 39 2.930 8.289 10.901 317 HA HIS 39 HA HIS 39 0.965 9.784 9.632 318 HB2 HIS 39 HB2 HIS 39 0.575 10.838 11.840 319 HB3 HIS 39 HB3 HIS 39 0.733 9.089 11.939 320 HD2 HIS 39 HD2 HIS 39 4.256 9.771 11.851 321 HE1 HIS 39 HE1 HIS 39 3.260 10.747 15.855 322 HE2 HIS 39 HE2 HIS 39 5.059 9.965 14.300 323 HA PRO 40 HA PRO 40 2.852 13.497 8.084 324 HB2 PRO 40 HB2 PRO 40 0.316 14.777 8.998 325 HB3 PRO 40 HB3 PRO 40 1.087 14.817 7.405 326 HG2 PRO 40 HG2 PRO 40 -1.033 13.298 7.768 327 HG3 PRO 40 HG3 PRO 40 0.352 12.667 6.857 328 HD2 PRO 40 HD2 PRO 40 -0.451 12.126 9.695 329 HD3 PRO 40 HD3 PRO 40 0.116 10.995 8.445 330 H ASP 41 H ASP 41 1.444 13.456 11.291 331 HA ASP 41 HA ASP 41 2.246 15.996 12.184 332 HB2 ASP 41 HB2 ASP 41 1.665 13.458 13.692 333 HB3 ASP 41 HB3 ASP 41 2.072 14.968 14.499 334 H LYS 42 H LYS 42 4.123 13.248 11.608 335 HA LYS 42 HA LYS 42 6.400 14.558 12.869 336 HB2 LYS 42 HB2 LYS 42 5.797 11.635 13.337 337 HB3 LYS 42 HB3 LYS 42 7.291 12.431 13.794 338 HG2 LYS 42 HG2 LYS 42 4.550 13.109 14.853 339 HG3 LYS 42 HG3 LYS 42 5.781 12.169 15.700 340 HD2 LYS 42 HD2 LYS 42 7.281 14.116 15.666 341 HD3 LYS 42 HD3 LYS 42 6.045 15.050 14.824 342 HE2 LYS 42 HE2 LYS 42 4.535 14.754 16.739 343 HE3 LYS 42 HE3 LYS 42 5.794 13.855 17.582 344 HZ1 LYS 42 HZ1 LYS 42 5.708 16.165 18.294 345 HZ2 LYS 42 HZ2 LYS 42 5.995 16.688 16.714 346 HZ3 LYS 42 HZ3 LYS 42 7.185 15.825 17.545 347 H ASN 43 H ASN 43 5.076 12.606 10.418 348 HA ASN 43 HA ASN 43 7.663 12.522 9.059 349 HB2 ASN 43 HB2 ASN 43 5.155 10.908 8.579 350 HB3 ASN 43 HB3 ASN 43 6.584 10.829 7.571 351 HD21 ASN 43 HD21 ASN 43 7.142 8.780 7.922 352 HD22 ASN 43 HD22 ASN 43 7.589 8.131 9.460 353 HA PRO 44 HA PRO 44 5.603 15.884 6.873 354 HB2 PRO 44 HB2 PRO 44 7.807 16.976 5.816 355 HB3 PRO 44 HB3 PRO 44 7.426 17.138 7.536 356 HG2 PRO 44 HG2 PRO 44 9.313 15.237 6.191 357 HG3 PRO 44 HG3 PRO 44 9.563 16.209 7.653 358 HD2 PRO 44 HD2 PRO 44 8.878 13.569 7.702 359 HD3 PRO 44 HD3 PRO 44 8.422 14.728 8.989 360 H SER 45 H SER 45 7.205 13.164 5.619 361 HA SER 45 HA SER 45 7.351 13.936 2.911 362 HB2 SER 45 HB2 SER 45 7.475 11.335 2.709 363 HB3 SER 45 HB3 SER 45 8.822 12.257 3.378 364 HG SER 45 HG SER 45 7.984 10.323 4.572 365 H GLU 46 H GLU 46 6.044 13.728 1.301 366 HA GLU 46 HA GLU 46 3.294 13.384 1.588 367 HB2 GLU 46 HB2 GLU 46 5.061 13.089 -0.838 368 HB3 GLU 46 HB3 GLU 46 3.307 13.060 -0.916 369 HG2 GLU 46 HG2 GLU 46 3.218 15.330 -0.074 370 HG3 GLU 46 HG3 GLU 46 4.975 15.354 0.074 371 H GLU 47 H GLU 47 5.830 11.185 0.694 372 HA GLU 47 HA GLU 47 4.428 8.915 -0.109 373 HB2 GLU 47 HB2 GLU 47 6.998 9.238 1.411 374 HB3 GLU 47 HB3 GLU 47 6.461 7.710 0.734 375 HG2 GLU 47 HG2 GLU 47 7.089 10.196 -0.839 376 HG3 GLU 47 HG3 GLU 47 8.152 8.809 -0.632 377 H ALA 48 H ALA 48 5.459 10.014 3.051 378 HA ALA 48 HA ALA 48 4.682 7.746 4.520 379 HB1 ALA 48 HB1 ALA 48 4.893 10.599 5.451 380 HB2 ALA 48 HB2 ALA 48 6.202 9.415 5.441 381 HB3 ALA 48 HB3 ALA 48 4.811 9.186 6.501 382 H ALA 49 H ALA 49 3.130 10.688 3.769 383 HA ALA 49 HA ALA 49 0.684 10.232 5.089 384 HB1 ALA 49 HB1 ALA 49 -0.208 12.034 3.712 385 HB2 ALA 49 HB2 ALA 49 1.196 11.933 2.652 386 HB3 ALA 49 HB3 ALA 49 1.392 12.451 4.326 387 H GLU 50 H GLU 50 1.797 9.533 1.832 388 HA GLU 50 HA GLU 50 -0.616 8.527 0.791 389 HB2 GLU 50 HB2 GLU 50 2.213 7.734 0.067 390 HB3 GLU 50 HB3 GLU 50 0.780 7.468 -0.923 391 HG2 GLU 50 HG2 GLU 50 0.470 9.996 -0.815 392 HG3 GLU 50 HG3 GLU 50 2.137 10.025 -0.204 393 H LYS 51 H LYS 51 2.042 7.004 2.480 394 HA LYS 51 HA LYS 51 1.162 4.331 2.410 395 HB2 LYS 51 HB2 LYS 51 2.784 5.841 4.444 396 HB3 LYS 51 HB3 LYS 51 2.492 4.110 4.538 397 HG2 LYS 51 HG2 LYS 51 3.646 3.769 2.449 398 HG3 LYS 51 HG3 LYS 51 3.854 5.512 2.258 399 HD2 LYS 51 HD2 LYS 51 5.884 4.463 3.117 400 HD3 LYS 51 HD3 LYS 51 5.181 5.594 4.285 401 HE2 LYS 51 HE2 LYS 51 5.932 3.526 5.358 402 HE3 LYS 51 HE3 LYS 51 4.198 3.733 5.533 403 HZ1 LYS 51 HZ1 LYS 51 5.571 1.953 3.567 404 HZ2 LYS 51 HZ2 LYS 51 3.904 2.178 3.653 405 HZ3 LYS 51 HZ3 LYS 51 4.717 1.450 4.940 406 H PHE 52 H PHE 52 0.519 6.954 4.604 407 HA PHE 52 HA PHE 52 -1.031 5.617 6.492 408 HB2 PHE 52 HB2 PHE 52 -0.267 7.877 6.887 409 HB3 PHE 52 HB3 PHE 52 -1.192 8.473 5.509 410 HD1 PHE 52 HD1 PHE 52 -1.540 6.986 8.883 411 HD2 PHE 52 HD2 PHE 52 -3.434 9.123 5.733 412 HE1 PHE 52 HE1 PHE 52 -3.476 7.421 10.341 413 HE2 PHE 52 HE2 PHE 52 -5.367 9.559 7.186 414 HZ PHE 52 HZ PHE 52 -5.386 8.709 9.493 415 H LYS 53 H LYS 53 -1.977 7.218 3.478 416 HA LYS 53 HA LYS 53 -4.739 6.705 3.611 417 HB2 LYS 53 HB2 LYS 53 -2.884 7.099 1.265 418 HB3 LYS 53 HB3 LYS 53 -4.626 6.966 1.096 419 HG2 LYS 53 HG2 LYS 53 -3.217 9.062 2.733 420 HG3 LYS 53 HG3 LYS 53 -3.800 9.293 1.082 421 HD2 LYS 53 HD2 LYS 53 -5.538 8.544 3.439 422 HD3 LYS 53 HD3 LYS 53 -5.348 10.178 2.806 423 HE2 LYS 53 HE2 LYS 53 -6.206 9.407 0.626 424 HE3 LYS 53 HE3 LYS 53 -6.448 7.802 1.308 425 HZ1 LYS 53 HZ1 LYS 53 -8.486 9.080 1.291 426 HZ2 LYS 53 HZ2 LYS 53 -7.780 10.285 2.238 427 HZ3 LYS 53 HZ3 LYS 53 -8.017 8.736 2.876 428 H GLU 54 H GLU 54 -2.062 4.801 2.253 429 HA GLU 54 HA GLU 54 -3.644 2.768 1.110 430 HB2 GLU 54 HB2 GLU 54 -0.798 2.840 2.089 431 HB3 GLU 54 HB3 GLU 54 -1.499 1.473 1.230 432 HG2 GLU 54 HG2 GLU 54 -1.856 2.774 -0.713 433 HG3 GLU 54 HG3 GLU 54 -1.433 4.255 0.144 434 H ALA 55 H ALA 55 -2.130 3.168 4.259 435 HA ALA 55 HA ALA 55 -2.677 0.583 5.261 436 HB1 ALA 55 HB1 ALA 55 -2.258 3.161 6.768 437 HB2 ALA 55 HB2 ALA 55 -0.989 2.054 6.245 438 HB3 ALA 55 HB3 ALA 55 -2.170 1.535 7.447 439 H SER 56 H SER 56 -4.403 3.639 5.353 440 HA SER 56 HA SER 56 -6.388 2.722 7.122 441 HB2 SER 56 HB2 SER 56 -7.593 4.798 6.449 442 HB3 SER 56 HB3 SER 56 -5.943 5.090 6.992 443 HG SER 56 HG SER 56 -5.335 5.517 4.978 444 H ALA 57 H ALA 57 -6.197 2.880 3.555 445 HA ALA 57 HA ALA 57 -8.887 2.022 3.124 446 HB1 ALA 57 HB1 ALA 57 -6.479 1.712 1.317 447 HB2 ALA 57 HB2 ALA 57 -7.547 3.114 1.369 448 HB3 ALA 57 HB3 ALA 57 -8.166 1.554 0.830 449 H ALA 58 H ALA 58 -5.846 0.352 3.435 450 HA ALA 58 HA ALA 58 -6.686 -2.257 2.871 451 HB1 ALA 58 HB1 ALA 58 -4.686 -2.981 4.013 452 HB2 ALA 58 HB2 ALA 58 -4.548 -1.427 4.834 453 HB3 ALA 58 HB3 ALA 58 -4.312 -1.525 3.091 454 H TYR 59 H TYR 59 -6.479 -0.414 5.857 455 HA TYR 59 HA TYR 59 -7.492 -2.344 7.594 456 HB2 TYR 59 HB2 TYR 59 -6.403 -0.288 8.340 457 HB3 TYR 59 HB3 TYR 59 -7.749 0.666 7.735 458 HD1 TYR 59 HD1 TYR 59 -6.721 -1.792 10.298 459 HD2 TYR 59 HD2 TYR 59 -9.738 0.932 9.042 460 HE1 TYR 59 HE1 TYR 59 -7.817 -1.993 12.492 461 HE2 TYR 59 HE2 TYR 59 -10.833 0.736 11.229 462 HH TYR 59 HH TYR 59 -10.926 -0.997 13.086 463 H GLU 60 H GLU 60 -9.099 -0.058 5.481 464 HA GLU 60 HA GLU 60 -11.640 -0.191 6.581 465 HB2 GLU 60 HB2 GLU 60 -10.783 0.293 3.738 466 HB3 GLU 60 HB3 GLU 60 -12.440 0.479 4.294 467 HG2 GLU 60 HG2 GLU 60 -10.037 2.013 5.234 468 HG3 GLU 60 HG3 GLU 60 -11.349 2.613 4.219 469 H ILE 61 H ILE 61 -10.117 -2.276 4.115 470 HA ILE 61 HA ILE 61 -12.581 -3.906 4.052 471 HB ILE 61 HB ILE 61 -11.420 -5.224 2.301 472 HG12 ILE 61 HG12 ILE 61 -9.358 -3.019 2.353 473 HG13 ILE 61 HG13 ILE 61 -9.102 -4.643 2.981 474 HG21 ILE 61 HG21 ILE 61 -12.988 -3.476 1.699 475 HG22 ILE 61 HG22 ILE 61 -11.668 -3.546 0.531 476 HG23 ILE 61 HG23 ILE 61 -11.698 -2.273 1.753 477 HD11 ILE 61 HD11 ILE 61 -8.145 -4.390 0.779 478 HD12 ILE 61 HD12 ILE 61 -9.729 -3.932 0.141 479 HD13 ILE 61 HD13 ILE 61 -9.468 -5.558 0.774 480 H LEU 62 H LEU 62 -9.171 -4.283 4.744 481 HA LEU 62 HA LEU 62 -9.283 -6.963 5.462 482 HB2 LEU 62 HB2 LEU 62 -7.418 -4.786 6.287 483 HB3 LEU 62 HB3 LEU 62 -7.109 -6.496 6.617 484 HG LEU 62 HG LEU 62 -7.292 -5.127 3.934 485 HD11 LEU 62 HD11 LEU 62 -5.211 -4.707 5.047 486 HD12 LEU 62 HD12 LEU 62 -4.946 -5.827 3.710 487 HD13 LEU 62 HD13 LEU 62 -4.989 -6.425 5.367 488 HD21 LEU 62 HD21 LEU 62 -6.673 -7.319 2.972 489 HD22 LEU 62 HD22 LEU 62 -8.270 -7.319 3.714 490 HD23 LEU 62 HD23 LEU 62 -6.905 -8.053 4.559 491 H SER 63 H SER 63 -9.708 -4.094 7.512 492 HA SER 63 HA SER 63 -9.873 -5.546 9.949 493 HB2 SER 63 HB2 SER 63 -9.455 -3.074 9.817 494 HB3 SER 63 HB3 SER 63 -11.136 -2.865 9.338 495 HG SER 63 HG SER 63 -11.041 -4.375 11.547 496 H ASP 64 H ASP 64 -11.852 -5.607 7.325 497 HA ASP 64 HA ASP 64 -14.204 -6.287 8.939 498 HB2 ASP 64 HB2 ASP 64 -14.475 -4.484 7.129 499 HB3 ASP 64 HB3 ASP 64 -14.099 -5.729 5.994 500 HA PRO 65 HA PRO 65 -12.332 -10.252 7.992 501 HB2 PRO 65 HB2 PRO 65 -14.899 -11.147 9.193 502 HB3 PRO 65 HB3 PRO 65 -13.239 -11.624 9.588 503 HG2 PRO 65 HG2 PRO 65 -14.567 -9.979 11.161 504 HG3 PRO 65 HG3 PRO 65 -12.838 -9.686 10.829 505 HD2 PRO 65 HD2 PRO 65 -15.282 -8.355 9.699 506 HD3 PRO 65 HD3 PRO 65 -13.740 -7.626 10.180 507 H GLU 66 H GLU 66 -15.540 -9.270 7.103 508 HA GLU 66 HA GLU 66 -15.842 -11.591 5.402 509 HB2 GLU 66 HB2 GLU 66 -17.690 -9.268 5.913 510 HB3 GLU 66 HB3 GLU 66 -18.059 -10.611 4.835 511 HG2 GLU 66 HG2 GLU 66 -17.526 -10.806 7.790 512 HG3 GLU 66 HG3 GLU 66 -19.097 -10.932 7.000 513 H LYS 67 H LYS 67 -15.137 -8.161 5.175 514 HA LYS 67 HA LYS 67 -15.274 -8.075 2.323 515 HB2 LYS 67 HB2 LYS 67 -13.990 -6.395 4.428 516 HB3 LYS 67 HB3 LYS 67 -13.903 -5.965 2.711 517 HG2 LYS 67 HG2 LYS 67 -16.419 -6.230 4.366 518 HG3 LYS 67 HG3 LYS 67 -15.648 -4.710 3.911 519 HD2 LYS 67 HD2 LYS 67 -16.009 -5.265 1.536 520 HD3 LYS 67 HD3 LYS 67 -16.821 -6.754 2.021 521 HE2 LYS 67 HE2 LYS 67 -18.514 -5.437 3.208 522 HE3 LYS 67 HE3 LYS 67 -17.705 -3.953 2.708 523 HZ1 LYS 67 HZ1 LYS 67 -18.891 -5.964 0.877 524 HZ2 LYS 67 HZ2 LYS 67 -18.156 -4.518 0.410 525 HZ3 LYS 67 HZ3 LYS 67 -19.596 -4.487 1.297 526 H ARG 68 H ARG 68 -13.002 -8.703 4.791 527 HA ARG 68 HA ARG 68 -10.628 -8.795 3.359 528 HB2 ARG 68 HB2 ARG 68 -11.196 -8.738 5.897 529 HB3 ARG 68 HB3 ARG 68 -11.301 -10.476 5.749 530 HG2 ARG 68 HG2 ARG 68 -8.835 -9.038 4.862 531 HG3 ARG 68 HG3 ARG 68 -9.084 -9.448 6.557 532 HD2 ARG 68 HD2 ARG 68 -8.905 -11.309 4.190 533 HD3 ARG 68 HD3 ARG 68 -7.800 -11.193 5.559 534 HE ARG 68 HE ARG 68 -10.255 -11.814 6.630 535 HH11 ARG 68 HH11 ARG 68 -8.005 -13.273 4.386 536 HH12 ARG 68 HH12 ARG 68 -8.507 -14.893 4.717 537 HH21 ARG 68 HH21 ARG 68 -10.961 -13.968 7.062 538 HH22 ARG 68 HH22 ARG 68 -10.217 -15.285 6.232 539 H ASP 69 H ASP 69 -13.084 -11.266 4.146 540 HA ASP 69 HA ASP 69 -11.668 -13.410 2.895 541 HB2 ASP 69 HB2 ASP 69 -14.384 -13.087 4.049 542 HB3 ASP 69 HB3 ASP 69 -14.179 -14.357 2.847 543 H ILE 70 H ILE 70 -14.210 -11.232 1.919 544 HA ILE 70 HA ILE 70 -14.686 -12.241 -0.637 545 HB ILE 70 HB ILE 70 -14.811 -9.486 0.552 546 HG12 ILE 70 HG12 ILE 70 -16.432 -11.049 1.442 547 HG13 ILE 70 HG13 ILE 70 -17.256 -9.834 0.475 548 HG21 ILE 70 HG21 ILE 70 -14.463 -9.186 -1.850 549 HG22 ILE 70 HG22 ILE 70 -16.126 -8.766 -1.436 550 HG23 ILE 70 HG23 ILE 70 -15.773 -10.312 -2.207 551 HD11 ILE 70 HD11 ILE 70 -16.642 -12.663 -0.349 552 HD12 ILE 70 HD12 ILE 70 -17.400 -11.447 -1.376 553 HD13 ILE 70 HD13 ILE 70 -18.218 -12.003 0.083 554 H TYR 71 H TYR 71 -12.481 -9.748 0.483 555 HA TYR 71 HA TYR 71 -11.185 -9.185 -1.938 556 HB2 TYR 71 HB2 TYR 71 -10.943 -7.731 -0.030 557 HB3 TYR 71 HB3 TYR 71 -10.222 -9.017 0.923 558 HD1 TYR 71 HD1 TYR 71 -9.641 -6.936 -2.106 559 HD2 TYR 71 HD2 TYR 71 -7.918 -9.220 1.031 560 HE1 TYR 71 HE1 TYR 71 -7.399 -6.153 -2.772 561 HE2 TYR 71 HE2 TYR 71 -5.680 -8.449 0.381 562 HH TYR 71 HH TYR 71 -5.202 -5.914 -1.905 563 H ASP 72 H ASP 72 -10.342 -11.441 0.604 564 HA ASP 72 HA ASP 72 -7.923 -12.413 -0.407 565 HB2 ASP 72 HB2 ASP 72 -8.579 -12.789 1.877 566 HB3 ASP 72 HB3 ASP 72 -9.988 -13.709 1.368 567 H GLN 73 H GLN 73 -11.213 -13.642 -0.867 568 HA GLN 73 HA GLN 73 -10.244 -15.932 -2.337 569 HB2 GLN 73 HB2 GLN 73 -13.041 -15.029 -1.685 570 HB3 GLN 73 HB3 GLN 73 -12.640 -16.539 -2.495 571 HG2 GLN 73 HG2 GLN 73 -11.435 -17.310 -0.558 572 HG3 GLN 73 HG3 GLN 73 -11.678 -15.762 0.247 573 HE21 GLN 73 HE21 GLN 73 -13.693 -15.254 1.044 574 HE22 GLN 73 HE22 GLN 73 -14.909 -16.453 1.314 575 H PHE 74 H PHE 74 -12.080 -12.985 -3.078 576 HA PHE 74 HA PHE 74 -12.443 -13.736 -5.804 577 HB2 PHE 74 HB2 PHE 74 -12.912 -11.165 -4.323 578 HB3 PHE 74 HB3 PHE 74 -13.102 -11.271 -6.071 579 HD1 PHE 74 HD1 PHE 74 -14.425 -12.379 -2.832 580 HD2 PHE 74 HD2 PHE 74 -14.932 -12.462 -7.051 581 HE1 PHE 74 HE1 PHE 74 -16.704 -13.255 -2.538 582 HE2 PHE 74 HE2 PHE 74 -17.212 -13.335 -6.765 583 HZ PHE 74 HZ PHE 74 -18.100 -13.733 -4.504 584 H GLY 75 H GLY 75 -9.985 -12.023 -4.058 585 HA2 GLY 75 HA2 GLY 75 -7.835 -12.301 -5.401 586 HA3 GLY 75 HA3 GLY 75 -8.710 -11.422 -6.645 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 7.557 5.309 -2.829 2 H2 GLY 1 HT2 GLY 1 8.554 4.677 -4.033 3 H3 GLY 1 HT3 GLY 1 9.132 4.830 -2.451 4 HA2 GLY 1 HA3 GLY 1 8.571 2.532 -2.951 5 HA3 GLY 1 HA2 GLY 1 7.561 3.194 -1.671 6 H GLU 2 H GLU 2 7.673 2.561 -5.154 7 HA GLU 2 HA GLU 2 4.949 3.095 -5.662 8 HB2 GLU 2 HB2 GLU 2 6.930 1.344 -7.093 9 HB3 GLU 2 HB3 GLU 2 5.317 1.680 -7.694 10 HG2 GLU 2 HG2 GLU 2 5.865 4.064 -7.774 11 HG3 GLU 2 HG3 GLU 2 7.501 3.688 -7.223 12 H PHE 3 H PHE 3 6.701 0.112 -4.914 13 HA PHE 3 HA PHE 3 6.043 -2.030 -4.546 14 HB2 PHE 3 HB2 PHE 3 3.866 -0.571 -3.030 15 HB3 PHE 3 HB3 PHE 3 4.217 -2.288 -2.867 16 HD1 PHE 3 HD1 PHE 3 5.039 1.018 -1.782 17 HD2 PHE 3 HD2 PHE 3 6.514 -2.964 -2.044 18 HE1 PHE 3 HE1 PHE 3 6.715 1.528 -0.054 19 HE2 PHE 3 HE2 PHE 3 8.191 -2.462 -0.316 20 HZ PHE 3 HZ PHE 3 8.292 -0.212 0.682 21 H GLY 4 H GLY 4 5.153 -0.967 -7.008 22 HA2 GLY 4 HA2 GLY 4 2.583 -2.369 -7.333 23 HA3 GLY 4 HA3 GLY 4 2.993 -0.905 -8.213 24 H SER 5 H SER 5 2.261 -3.536 -9.189 25 HA SER 5 HA SER 5 4.344 -3.826 -11.137 26 HB2 SER 5 HB2 SER 5 4.689 -6.231 -10.697 27 HB3 SER 5 HB3 SER 5 5.190 -5.254 -9.318 28 HG SER 5 HG SER 5 3.345 -5.847 -8.232 29 H MET 6 H MET 6 3.643 -5.518 -12.794 30 HA MET 6 HA MET 6 0.961 -5.099 -13.546 31 HB2 MET 6 HB2 MET 6 3.105 -6.989 -14.466 32 HB3 MET 6 HB3 MET 6 1.464 -7.186 -15.053 33 HG2 MET 6 HG2 MET 6 2.733 -5.914 -16.640 34 HG3 MET 6 HG3 MET 6 1.515 -4.878 -15.907 35 HE1 MET 6 HE1 MET 6 6.038 -4.710 -14.987 36 HE2 MET 6 HE2 MET 6 5.312 -5.728 -16.231 37 HE3 MET 6 HE3 MET 6 5.025 -6.078 -14.528 38 H VAL 7 H VAL 7 -0.867 -6.200 -13.131 39 HA VAL 7 HA VAL 7 -2.298 -7.392 -11.862 40 HB VAL 7 HB VAL 7 -0.236 -9.619 -11.949 41 HG11 VAL 7 HG11 VAL 7 -2.184 -11.099 -11.746 42 HG12 VAL 7 HG12 VAL 7 -3.239 -9.689 -11.644 43 HG13 VAL 7 HG13 VAL 7 -2.057 -10.000 -10.373 44 HG21 VAL 7 HG21 VAL 7 -2.395 -8.973 -13.959 45 HG22 VAL 7 HG22 VAL 7 -1.381 -10.417 -13.972 46 HG23 VAL 7 HG23 VAL 7 -0.656 -8.828 -14.214 47 H LYS 8 H LYS 8 -1.710 -5.797 -10.242 48 HA LYS 8 HA LYS 8 0.214 -6.447 -8.221 49 HB2 LYS 8 HB2 LYS 8 -0.598 -4.404 -7.107 50 HB3 LYS 8 HB3 LYS 8 -0.202 -4.114 -8.795 51 HG2 LYS 8 HG2 LYS 8 -2.575 -4.227 -9.367 52 HG3 LYS 8 HG3 LYS 8 -2.971 -4.508 -7.672 53 HD2 LYS 8 HD2 LYS 8 -2.060 -2.334 -7.084 54 HD3 LYS 8 HD3 LYS 8 -1.580 -2.063 -8.760 55 HE2 LYS 8 HE2 LYS 8 -3.642 -0.883 -8.269 56 HE3 LYS 8 HE3 LYS 8 -3.934 -2.165 -9.441 57 HZ1 LYS 8 HZ1 LYS 8 -4.849 -3.536 -7.698 58 HZ2 LYS 8 HZ2 LYS 8 -5.646 -2.048 -7.718 59 HZ3 LYS 8 HZ3 LYS 8 -4.492 -2.367 -6.529 60 H GLU 9 H GLU 9 -0.115 -7.539 -6.378 61 HA GLU 9 HA GLU 9 -2.851 -7.869 -5.442 62 HB2 GLU 9 HB2 GLU 9 -2.205 -9.753 -6.979 63 HB3 GLU 9 HB3 GLU 9 -0.960 -10.187 -5.820 64 HG2 GLU 9 HG2 GLU 9 -2.663 -10.598 -4.135 65 HG3 GLU 9 HG3 GLU 9 -3.915 -10.129 -5.280 66 H THR 10 H THR 10 -3.042 -8.144 -3.275 67 HA THR 10 HA THR 10 -2.628 -8.170 -1.085 68 HB THR 10 HB THR 10 -0.696 -9.353 -0.138 69 HG1 THR 10 HG1 THR 10 0.418 -8.785 -2.569 70 HG21 THR 10 HG21 THR 10 -1.124 -11.527 -1.094 71 HG22 THR 10 HG22 THR 10 -1.765 -10.794 -2.556 72 HG23 THR 10 HG23 THR 10 -2.633 -10.616 -1.031 73 H LYS 11 H LYS 11 -1.732 -5.882 -2.716 74 HA LYS 11 HA LYS 11 0.553 -4.664 -1.638 75 HB2 LYS 11 HB2 LYS 11 -1.921 -3.433 -2.786 76 HB3 LYS 11 HB3 LYS 11 -0.577 -2.470 -2.194 77 HG2 LYS 11 HG2 LYS 11 0.902 -3.580 -3.797 78 HG3 LYS 11 HG3 LYS 11 -0.482 -4.514 -4.380 79 HD2 LYS 11 HD2 LYS 11 -0.004 -2.562 -5.813 80 HD3 LYS 11 HD3 LYS 11 -1.604 -2.485 -5.074 81 HE2 LYS 11 HE2 LYS 11 -0.468 -0.312 -4.996 82 HE3 LYS 11 HE3 LYS 11 -0.774 -0.935 -3.383 83 HZ1 LYS 11 HZ1 LYS 11 1.825 -1.091 -4.818 84 HZ2 LYS 11 HZ2 LYS 11 1.529 -1.624 -3.243 85 HZ3 LYS 11 HZ3 LYS 11 1.443 0.023 -3.602 86 H PHE 12 H PHE 12 -2.732 -4.651 -0.442 87 HA PHE 12 HA PHE 12 -2.184 -2.681 1.540 88 HB2 PHE 12 HB2 PHE 12 -4.526 -4.469 1.032 89 HB3 PHE 12 HB3 PHE 12 -4.397 -3.584 2.552 90 HD1 PHE 12 HD1 PHE 12 -6.003 -3.448 -0.419 91 HD2 PHE 12 HD2 PHE 12 -3.450 -1.028 1.963 92 HE1 PHE 12 HE1 PHE 12 -6.929 -1.423 -1.474 93 HE2 PHE 12 HE2 PHE 12 -4.371 0.992 0.926 94 HZ PHE 12 HZ PHE 12 -6.112 0.804 -0.783 95 H TYR 13 H TYR 13 -2.050 -6.154 1.433 96 HA TYR 13 HA TYR 13 -1.726 -6.503 4.260 97 HB2 TYR 13 HB2 TYR 13 -0.839 -8.287 1.970 98 HB3 TYR 13 HB3 TYR 13 -0.793 -8.739 3.671 99 HD1 TYR 13 HD1 TYR 13 -2.728 -8.718 0.693 100 HD2 TYR 13 HD2 TYR 13 -3.063 -8.773 4.926 101 HE1 TYR 13 HE1 TYR 13 -5.010 -9.610 0.490 102 HE2 TYR 13 HE2 TYR 13 -5.346 -9.667 4.741 103 HH TYR 13 HH TYR 13 -6.594 -10.893 1.809 104 H ASP 14 H ASP 14 0.419 -6.229 1.487 105 HA ASP 14 HA ASP 14 2.902 -6.264 2.740 106 HB2 ASP 14 HB2 ASP 14 1.945 -4.778 0.305 107 HB3 ASP 14 HB3 ASP 14 3.619 -4.745 0.819 108 H ILE 15 H ILE 15 0.773 -3.514 2.117 109 HA ILE 15 HA ILE 15 2.476 -1.538 3.115 110 HB ILE 15 HB ILE 15 -0.493 -1.677 2.781 111 HG12 ILE 15 HG12 ILE 15 1.578 -0.025 1.334 112 HG13 ILE 15 HG13 ILE 15 0.980 -1.612 0.796 113 HG21 ILE 15 HG21 ILE 15 -0.088 -0.126 4.643 114 HG22 ILE 15 HG22 ILE 15 -0.594 0.766 3.208 115 HG23 ILE 15 HG23 ILE 15 1.106 0.742 3.677 116 HD11 ILE 15 HD11 ILE 15 -0.104 0.209 -0.390 117 HD12 ILE 15 HD12 ILE 15 -0.665 0.885 1.138 118 HD13 ILE 15 HD13 ILE 15 -1.263 -0.682 0.595 119 H LEU 16 H LEU 16 -0.230 -3.151 4.780 120 HA LEU 16 HA LEU 16 0.412 -2.008 7.268 121 HB2 LEU 16 HB2 LEU 16 -1.193 -4.462 6.631 122 HB3 LEU 16 HB3 LEU 16 -1.001 -3.846 8.262 123 HG LEU 16 HG LEU 16 -2.320 -2.368 5.967 124 HD11 LEU 16 HD11 LEU 16 -3.496 -3.623 8.431 125 HD12 LEU 16 HD12 LEU 16 -3.607 -4.272 6.795 126 HD13 LEU 16 HD13 LEU 16 -4.369 -2.729 7.185 127 HD21 LEU 16 HD21 LEU 16 -1.978 -1.629 8.873 128 HD22 LEU 16 HD22 LEU 16 -2.979 -0.764 7.709 129 HD23 LEU 16 HD23 LEU 16 -1.231 -0.821 7.494 130 H GLY 17 H GLY 17 1.754 -4.815 5.704 131 HA2 GLY 17 HA2 GLY 17 3.776 -5.829 6.337 132 HA3 GLY 17 HA3 GLY 17 3.669 -5.020 7.896 133 H VAL 18 H VAL 18 0.923 -6.584 6.704 134 HA VAL 18 HA VAL 18 1.177 -8.719 8.724 135 HB VAL 18 HB VAL 18 -1.289 -8.920 8.557 136 HG11 VAL 18 HG11 VAL 18 -0.326 -6.142 9.165 137 HG12 VAL 18 HG12 VAL 18 -0.271 -7.521 10.263 138 HG13 VAL 18 HG13 VAL 18 -1.824 -6.874 9.738 139 HG21 VAL 18 HG21 VAL 18 -1.594 -8.109 6.279 140 HG22 VAL 18 HG22 VAL 18 -1.071 -6.499 6.769 141 HG23 VAL 18 HG23 VAL 18 -2.574 -7.169 7.406 142 HA PRO 19 HA PRO 19 1.227 -11.774 5.489 143 HB2 PRO 19 HB2 PRO 19 -0.344 -13.745 6.503 144 HB3 PRO 19 HB3 PRO 19 1.291 -13.432 7.114 145 HG2 PRO 19 HG2 PRO 19 -1.351 -12.518 8.191 146 HG3 PRO 19 HG3 PRO 19 0.011 -13.246 9.066 147 HD2 PRO 19 HD2 PRO 19 -0.394 -10.591 9.077 148 HD3 PRO 19 HD3 PRO 19 1.251 -11.251 9.006 149 H VAL 20 H VAL 20 -0.230 -12.906 3.943 150 HA VAL 20 HA VAL 20 -2.413 -11.267 3.187 151 HB VAL 20 HB VAL 20 -1.684 -14.073 2.294 152 HG11 VAL 20 HG11 VAL 20 -3.980 -13.536 1.736 153 HG12 VAL 20 HG12 VAL 20 -2.983 -13.547 0.281 154 HG13 VAL 20 HG13 VAL 20 -3.467 -12.015 1.007 155 HG21 VAL 20 HG21 VAL 20 -0.603 -12.978 0.393 156 HG22 VAL 20 HG22 VAL 20 0.135 -12.504 1.922 157 HG23 VAL 20 HG23 VAL 20 -0.966 -11.403 1.096 158 H THR 21 H THR 21 -1.928 -14.071 5.089 159 HA THR 21 HA THR 21 -4.759 -14.729 5.356 160 HB THR 21 HB THR 21 -2.439 -16.023 6.801 161 HG1 THR 21 HG1 THR 21 -3.260 -16.189 4.110 162 HG21 THR 21 HG21 THR 21 -3.900 -18.006 6.755 163 HG22 THR 21 HG22 THR 21 -5.123 -17.094 5.870 164 HG23 THR 21 HG23 THR 21 -4.719 -16.649 7.528 165 H ALA 22 H ALA 22 -3.464 -12.185 6.414 166 HA ALA 22 HA ALA 22 -3.123 -12.308 9.187 167 HB1 ALA 22 HB1 ALA 22 -3.235 -9.919 9.162 168 HB2 ALA 22 HB2 ALA 22 -4.007 -9.935 7.576 169 HB3 ALA 22 HB3 ALA 22 -2.337 -10.476 7.749 170 H THR 23 H THR 23 -4.359 -11.693 10.862 171 HA THR 23 HA THR 23 -7.252 -11.917 10.493 172 HB THR 23 HB THR 23 -7.274 -12.234 12.978 173 HG1 THR 23 HG1 THR 23 -4.432 -12.340 12.678 174 HG21 THR 23 HG21 THR 23 -7.219 -14.192 11.506 175 HG22 THR 23 HG22 THR 23 -6.288 -14.492 12.974 176 HG23 THR 23 HG23 THR 23 -5.457 -14.121 11.464 177 H ASP 24 H ASP 24 -8.537 -10.449 11.965 178 HA ASP 24 HA ASP 24 -8.056 -7.772 11.348 179 HB2 ASP 24 HB2 ASP 24 -9.699 -7.197 13.081 180 HB3 ASP 24 HB3 ASP 24 -10.297 -8.415 11.946 181 H VAL 25 H VAL 25 -7.052 -9.627 14.103 182 HA VAL 25 HA VAL 25 -6.392 -7.482 15.795 183 HB VAL 25 HB VAL 25 -5.519 -10.329 15.611 184 HG11 VAL 25 HG11 VAL 25 -4.584 -10.078 17.906 185 HG12 VAL 25 HG12 VAL 25 -4.929 -8.350 17.834 186 HG13 VAL 25 HG13 VAL 25 -3.739 -9.056 16.742 187 HG21 VAL 25 HG21 VAL 25 -7.835 -10.050 16.181 188 HG22 VAL 25 HG22 VAL 25 -7.414 -8.935 17.481 189 HG23 VAL 25 HG23 VAL 25 -6.951 -10.632 17.591 190 H GLU 26 H GLU 26 -4.585 -9.394 13.444 191 HA GLU 26 HA GLU 26 -2.016 -8.212 13.929 192 HB2 GLU 26 HB2 GLU 26 -3.156 -9.729 11.577 193 HB3 GLU 26 HB3 GLU 26 -1.460 -9.277 11.733 194 HG2 GLU 26 HG2 GLU 26 -1.175 -10.691 13.612 195 HG3 GLU 26 HG3 GLU 26 -2.911 -10.980 13.733 196 H ILE 27 H ILE 27 -4.639 -7.739 11.744 197 HA ILE 27 HA ILE 27 -3.521 -5.815 10.053 198 HB ILE 27 HB ILE 27 -6.350 -6.529 10.791 199 HG12 ILE 27 HG12 ILE 27 -4.835 -6.956 8.210 200 HG13 ILE 27 HG13 ILE 27 -4.846 -8.126 9.524 201 HG21 ILE 27 HG21 ILE 27 -7.100 -5.175 8.890 202 HG22 ILE 27 HG22 ILE 27 -5.450 -4.610 8.632 203 HG23 ILE 27 HG23 ILE 27 -6.311 -4.171 10.107 204 HD11 ILE 27 HD11 ILE 27 -7.327 -7.146 8.139 205 HD12 ILE 27 HD12 ILE 27 -7.180 -8.489 9.271 206 HD13 ILE 27 HD13 ILE 27 -6.438 -8.595 7.676 207 H LYS 28 H LYS 28 -5.526 -5.484 12.986 208 HA LYS 28 HA LYS 28 -5.723 -2.711 12.887 209 HB2 LYS 28 HB2 LYS 28 -7.187 -4.277 14.134 210 HB3 LYS 28 HB3 LYS 28 -5.874 -4.527 15.276 211 HG2 LYS 28 HG2 LYS 28 -5.912 -2.190 15.845 212 HG3 LYS 28 HG3 LYS 28 -7.216 -1.924 14.686 213 HD2 LYS 28 HD2 LYS 28 -8.546 -3.627 15.947 214 HD3 LYS 28 HD3 LYS 28 -7.269 -3.595 17.168 215 HE2 LYS 28 HE2 LYS 28 -8.897 -1.232 16.277 216 HE3 LYS 28 HE3 LYS 28 -9.165 -2.150 17.757 217 HZ1 LYS 28 HZ1 LYS 28 -7.890 -0.117 18.135 218 HZ2 LYS 28 HZ2 LYS 28 -6.674 -0.672 17.107 219 HZ3 LYS 28 HZ3 LYS 28 -7.005 -1.490 18.545 220 H LYS 29 H LYS 29 -3.472 -4.880 14.570 221 HA LYS 29 HA LYS 29 -2.132 -2.759 15.901 222 HB2 LYS 29 HB2 LYS 29 -0.390 -4.419 16.464 223 HB3 LYS 29 HB3 LYS 29 -2.007 -4.982 16.846 224 HG2 LYS 29 HG2 LYS 29 -1.977 -6.265 14.710 225 HG3 LYS 29 HG3 LYS 29 -0.276 -5.838 14.533 226 HD2 LYS 29 HD2 LYS 29 -1.500 -7.354 16.850 227 HD3 LYS 29 HD3 LYS 29 -0.558 -8.064 15.542 228 HE2 LYS 29 HE2 LYS 29 0.462 -6.020 17.517 229 HE3 LYS 29 HE3 LYS 29 0.752 -7.755 17.610 230 HZ1 LYS 29 HZ1 LYS 29 1.658 -5.937 15.445 231 HZ2 LYS 29 HZ2 LYS 29 1.877 -7.613 15.455 232 HZ3 LYS 29 HZ3 LYS 29 2.626 -6.660 16.626 233 H ALA 30 H ALA 30 -1.575 -4.391 12.864 234 HA ALA 30 HA ALA 30 0.760 -3.068 12.171 235 HB1 ALA 30 HB1 ALA 30 -0.117 -5.005 10.977 236 HB2 ALA 30 HB2 ALA 30 0.203 -3.650 9.895 237 HB3 ALA 30 HB3 ALA 30 -1.454 -4.023 10.377 238 H TYR 31 H TYR 31 -2.668 -2.210 11.818 239 HA TYR 31 HA TYR 31 -2.248 0.145 10.356 240 HB2 TYR 31 HB2 TYR 31 -4.465 -0.685 10.394 241 HB3 TYR 31 HB3 TYR 31 -4.494 -0.739 12.160 242 HD1 TYR 31 HD1 TYR 31 -4.155 1.704 9.341 243 HD2 TYR 31 HD2 TYR 31 -5.456 1.013 13.334 244 HE1 TYR 31 HE1 TYR 31 -5.105 3.973 9.427 245 HE2 TYR 31 HE2 TYR 31 -6.412 3.271 13.423 246 HH TYR 31 HH TYR 31 -6.080 5.432 12.323 247 H ARG 32 H ARG 32 -2.687 -0.415 13.847 248 HA ARG 32 HA ARG 32 -2.263 2.303 14.372 249 HB2 ARG 32 HB2 ARG 32 -1.962 1.740 16.753 250 HB3 ARG 32 HB3 ARG 32 -3.431 1.110 16.033 251 HG2 ARG 32 HG2 ARG 32 -2.563 -1.054 15.966 252 HG3 ARG 32 HG3 ARG 32 -0.944 -0.514 16.433 253 HD2 ARG 32 HD2 ARG 32 -1.751 0.144 18.600 254 HD3 ARG 32 HD3 ARG 32 -3.415 -0.198 18.133 255 HE ARG 32 HE ARG 32 -2.310 -2.584 17.799 256 HH11 ARG 32 HH11 ARG 32 -1.946 -0.318 20.456 257 HH12 ARG 32 HH12 ARG 32 -1.773 -1.556 21.655 258 HH21 ARG 32 HH21 ARG 32 -2.097 -4.230 19.397 259 HH22 ARG 32 HH22 ARG 32 -1.854 -3.778 21.050 260 H LYS 33 H LYS 33 0.065 -0.308 14.074 261 HA LYS 33 HA LYS 33 2.214 1.338 15.051 262 HB2 LYS 33 HB2 LYS 33 3.719 -0.335 14.377 263 HB3 LYS 33 HB3 LYS 33 2.266 -1.251 14.734 264 HG2 LYS 33 HG2 LYS 33 1.739 -1.317 12.334 265 HG3 LYS 33 HG3 LYS 33 3.216 -0.400 12.019 266 HD2 LYS 33 HD2 LYS 33 4.552 -2.224 12.953 267 HD3 LYS 33 HD3 LYS 33 3.076 -3.142 13.270 268 HE2 LYS 33 HE2 LYS 33 2.574 -3.175 10.876 269 HE3 LYS 33 HE3 LYS 33 4.029 -2.237 10.552 270 HZ1 LYS 33 HZ1 LYS 33 3.914 -4.990 11.663 271 HZ2 LYS 33 HZ2 LYS 33 5.326 -4.079 11.493 272 HZ3 LYS 33 HZ3 LYS 33 4.457 -4.539 10.126 273 H CYS 34 H CYS 34 0.976 0.657 11.793 274 HA CYS 34 HA CYS 34 2.928 2.244 10.496 275 HB2 CYS 34 HB2 CYS 34 0.153 1.418 9.650 276 HB3 CYS 34 HB3 CYS 34 1.250 2.319 8.603 277 HG CYS 34 HG CYS 34 1.219 -0.925 9.393 278 H ALA 35 H ALA 35 -0.326 3.022 11.656 279 HA ALA 35 HA ALA 35 -0.342 5.676 10.706 280 HB1 ALA 35 HB1 ALA 35 -2.379 4.451 11.291 281 HB2 ALA 35 HB2 ALA 35 -2.269 5.979 12.164 282 HB3 ALA 35 HB3 ALA 35 -1.899 4.464 12.989 283 H LEU 36 H LEU 36 0.346 4.327 13.899 284 HA LEU 36 HA LEU 36 0.904 6.830 15.083 285 HB2 LEU 36 HB2 LEU 36 1.748 4.085 15.969 286 HB3 LEU 36 HB3 LEU 36 1.974 5.546 16.911 287 HG LEU 36 HG LEU 36 -0.670 4.342 16.097 288 HD11 LEU 36 HD11 LEU 36 0.654 4.559 18.786 289 HD12 LEU 36 HD12 LEU 36 0.435 3.088 17.837 290 HD13 LEU 36 HD13 LEU 36 -0.969 3.941 18.476 291 HD21 LEU 36 HD21 LEU 36 -0.065 6.829 17.690 292 HD22 LEU 36 HD22 LEU 36 -1.654 6.082 17.553 293 HD23 LEU 36 HD23 LEU 36 -0.869 6.748 16.123 294 H LYS 37 H LYS 37 3.007 4.500 13.518 295 HA LYS 37 HA LYS 37 5.426 5.740 14.270 296 HB2 LYS 37 HB2 LYS 37 4.729 3.864 12.015 297 HB3 LYS 37 HB3 LYS 37 6.373 4.453 12.282 298 HG2 LYS 37 HG2 LYS 37 6.470 3.376 14.428 299 HG3 LYS 37 HG3 LYS 37 4.754 2.981 14.361 300 HD2 LYS 37 HD2 LYS 37 6.042 1.012 13.868 301 HD3 LYS 37 HD3 LYS 37 5.214 1.536 12.405 302 HE2 LYS 37 HE2 LYS 37 7.277 2.589 11.608 303 HE3 LYS 37 HE3 LYS 37 8.105 2.104 13.086 304 HZ1 LYS 37 HZ1 LYS 37 8.598 0.602 11.265 305 HZ2 LYS 37 HZ2 LYS 37 6.961 0.267 11.052 306 HZ3 LYS 37 HZ3 LYS 37 7.740 -0.215 12.472 307 H TYR 38 H TYR 38 3.349 6.230 11.388 308 HA TYR 38 HA TYR 38 5.126 8.479 10.637 309 HB2 TYR 38 HB2 TYR 38 3.544 6.612 8.880 310 HB3 TYR 38 HB3 TYR 38 4.412 8.029 8.289 311 HD1 TYR 38 HD1 TYR 38 4.701 4.614 9.520 312 HD2 TYR 38 HD2 TYR 38 6.877 8.087 8.387 313 HE1 TYR 38 HE1 TYR 38 6.760 3.278 9.398 314 HE2 TYR 38 HE2 TYR 38 8.937 6.761 8.257 315 HH TYR 38 HH TYR 38 9.832 4.668 9.203 316 H HIS 39 H HIS 39 2.578 8.410 12.274 317 HA HIS 39 HA HIS 39 0.484 9.669 10.966 318 HB2 HIS 39 HB2 HIS 39 -0.127 10.608 13.208 319 HB3 HIS 39 HB3 HIS 39 0.176 8.876 13.210 320 HD2 HIS 39 HD2 HIS 39 3.627 9.888 13.378 321 HE1 HIS 39 HE1 HIS 39 2.319 10.433 17.378 322 HE2 HIS 39 HE2 HIS 39 4.265 9.894 15.873 323 HA PRO 40 HA PRO 40 1.908 13.707 9.677 324 HB2 PRO 40 HB2 PRO 40 -0.931 14.412 10.294 325 HB3 PRO 40 HB3 PRO 40 0.007 14.717 8.825 326 HG2 PRO 40 HG2 PRO 40 -1.791 12.796 8.829 327 HG3 PRO 40 HG3 PRO 40 -0.208 12.516 8.080 328 HD2 PRO 40 HD2 PRO 40 -1.233 11.593 10.737 329 HD3 PRO 40 HD3 PRO 40 -0.261 10.718 9.532 330 H ASP 41 H ASP 41 0.200 13.144 12.663 331 HA ASP 41 HA ASP 41 0.366 15.713 13.796 332 HB2 ASP 41 HB2 ASP 41 0.112 12.997 15.076 333 HB3 ASP 41 HB3 ASP 41 0.120 14.489 16.009 334 H LYS 42 H LYS 42 2.844 13.416 13.277 335 HA LYS 42 HA LYS 42 4.639 15.052 14.867 336 HB2 LYS 42 HB2 LYS 42 4.464 12.059 15.116 337 HB3 LYS 42 HB3 LYS 42 5.893 12.967 15.584 338 HG2 LYS 42 HG2 LYS 42 3.143 13.414 16.723 339 HG3 LYS 42 HG3 LYS 42 4.400 12.426 17.474 340 HD2 LYS 42 HD2 LYS 42 5.882 14.432 17.479 341 HD3 LYS 42 HD3 LYS 42 4.523 15.384 16.884 342 HE2 LYS 42 HE2 LYS 42 4.581 13.841 19.470 343 HE3 LYS 42 HE3 LYS 42 4.814 15.581 19.311 344 HZ1 LYS 42 HZ1 LYS 42 2.360 14.064 18.625 345 HZ2 LYS 42 HZ2 LYS 42 2.576 15.717 18.357 346 HZ3 LYS 42 HZ3 LYS 42 2.559 15.115 19.933 347 H ASN 43 H ASN 43 4.057 12.918 12.227 348 HA ASN 43 HA ASN 43 6.741 13.413 11.198 349 HB2 ASN 43 HB2 ASN 43 4.603 11.475 10.285 350 HB3 ASN 43 HB3 ASN 43 6.172 11.656 9.529 351 HD21 ASN 43 HD21 ASN 43 6.909 9.639 9.901 352 HD22 ASN 43 HD22 ASN 43 7.210 8.993 11.474 353 HA PRO 44 HA PRO 44 4.426 16.512 8.870 354 HB2 PRO 44 HB2 PRO 44 6.515 18.053 8.215 355 HB3 PRO 44 HB3 PRO 44 5.850 18.035 9.853 356 HG2 PRO 44 HG2 PRO 44 8.256 16.617 8.775 357 HG3 PRO 44 HG3 PRO 44 8.075 17.507 10.297 358 HD2 PRO 44 HD2 PRO 44 7.919 14.786 10.110 359 HD3 PRO 44 HD3 PRO 44 7.067 15.741 11.361 360 H SER 45 H SER 45 6.710 14.238 7.783 361 HA SER 45 HA SER 45 7.147 15.143 5.136 362 HB2 SER 45 HB2 SER 45 7.033 12.272 5.813 363 HB3 SER 45 HB3 SER 45 8.152 13.120 4.764 364 HG SER 45 HG SER 45 9.064 14.110 6.642 365 H GLU 46 H GLU 46 6.077 14.896 3.367 366 HA GLU 46 HA GLU 46 3.325 14.397 3.384 367 HB2 GLU 46 HB2 GLU 46 5.272 14.549 1.084 368 HB3 GLU 46 HB3 GLU 46 3.547 14.324 0.848 369 HG2 GLU 46 HG2 GLU 46 4.018 16.629 0.547 370 HG3 GLU 46 HG3 GLU 46 3.176 16.463 2.085 371 H GLU 47 H GLU 47 6.042 12.376 2.480 372 HA GLU 47 HA GLU 47 4.625 10.181 1.451 373 HB2 GLU 47 HB2 GLU 47 7.256 10.389 2.852 374 HB3 GLU 47 HB3 GLU 47 6.687 8.907 2.094 375 HG2 GLU 47 HG2 GLU 47 6.577 10.096 -0.069 376 HG3 GLU 47 HG3 GLU 47 7.254 11.522 0.712 377 H ALA 48 H ALA 48 5.620 11.048 4.670 378 HA ALA 48 HA ALA 48 4.914 8.657 5.976 379 HB1 ALA 48 HB1 ALA 48 4.950 11.464 7.079 380 HB2 ALA 48 HB2 ALA 48 6.314 10.346 7.055 381 HB3 ALA 48 HB3 ALA 48 4.898 9.991 8.046 382 H ALA 49 H ALA 49 3.213 11.547 5.299 383 HA ALA 49 HA ALA 49 0.754 10.856 6.504 384 HB1 ALA 49 HB1 ALA 49 -0.227 12.636 5.118 385 HB2 ALA 49 HB2 ALA 49 1.280 12.734 4.205 386 HB3 ALA 49 HB3 ALA 49 1.256 13.154 5.917 387 H GLU 50 H GLU 50 2.073 10.350 3.287 388 HA GLU 50 HA GLU 50 -0.215 9.317 2.010 389 HB2 GLU 50 HB2 GLU 50 2.680 8.553 1.572 390 HB3 GLU 50 HB3 GLU 50 1.362 8.276 0.446 391 HG2 GLU 50 HG2 GLU 50 1.057 10.766 0.372 392 HG3 GLU 50 HG3 GLU 50 2.570 10.882 1.293 393 H LYS 51 H LYS 51 2.405 7.799 3.779 394 HA LYS 51 HA LYS 51 1.631 5.116 3.590 395 HB2 LYS 51 HB2 LYS 51 3.136 6.631 5.721 396 HB3 LYS 51 HB3 LYS 51 2.973 4.879 5.714 397 HG2 LYS 51 HG2 LYS 51 4.204 4.706 3.680 398 HG3 LYS 51 HG3 LYS 51 4.198 6.460 3.470 399 HD2 LYS 51 HD2 LYS 51 6.353 5.757 4.313 400 HD3 LYS 51 HD3 LYS 51 5.504 6.682 5.552 401 HE2 LYS 51 HE2 LYS 51 6.589 4.743 6.510 402 HE3 LYS 51 HE3 LYS 51 4.842 4.593 6.667 403 HZ1 LYS 51 HZ1 LYS 51 5.826 2.516 5.945 404 HZ2 LYS 51 HZ2 LYS 51 6.561 3.265 4.623 405 HZ3 LYS 51 HZ3 LYS 51 4.881 3.136 4.692 406 H PHE 52 H PHE 52 0.856 7.622 5.906 407 HA PHE 52 HA PHE 52 -0.602 6.116 7.750 408 HB2 PHE 52 HB2 PHE 52 0.169 8.418 8.163 409 HB3 PHE 52 HB3 PHE 52 -0.947 9.016 6.939 410 HD1 PHE 52 HD1 PHE 52 -0.613 7.737 10.338 411 HD2 PHE 52 HD2 PHE 52 -3.331 9.147 7.388 412 HE1 PHE 52 HE1 PHE 52 -2.345 8.008 12.065 413 HE2 PHE 52 HE2 PHE 52 -5.065 9.413 9.106 414 HZ PHE 52 HZ PHE 52 -4.572 8.846 11.451 415 H LYS 53 H LYS 53 -1.696 7.973 4.914 416 HA LYS 53 HA LYS 53 -4.428 7.352 5.201 417 HB2 LYS 53 HB2 LYS 53 -2.861 8.240 2.786 418 HB3 LYS 53 HB3 LYS 53 -4.612 8.100 2.816 419 HG2 LYS 53 HG2 LYS 53 -2.907 9.953 4.469 420 HG3 LYS 53 HG3 LYS 53 -4.012 10.395 3.163 421 HD2 LYS 53 HD2 LYS 53 -4.796 9.166 5.815 422 HD3 LYS 53 HD3 LYS 53 -4.983 10.856 5.368 423 HE2 LYS 53 HE2 LYS 53 -6.322 8.514 4.019 424 HE3 LYS 53 HE3 LYS 53 -7.086 9.627 5.150 425 HZ1 LYS 53 HZ1 LYS 53 -6.634 11.430 3.578 426 HZ2 LYS 53 HZ2 LYS 53 -7.618 10.235 2.907 427 HZ3 LYS 53 HZ3 LYS 53 -5.990 10.316 2.480 428 H GLU 54 H GLU 54 -1.883 5.777 3.275 429 HA GLU 54 HA GLU 54 -3.641 3.937 2.056 430 HB2 GLU 54 HB2 GLU 54 -0.675 3.821 2.556 431 HB3 GLU 54 HB3 GLU 54 -1.555 2.595 1.652 432 HG2 GLU 54 HG2 GLU 54 -2.286 4.287 0.062 433 HG3 GLU 54 HG3 GLU 54 -1.398 5.510 0.966 434 H ALA 55 H ALA 55 -1.851 3.920 5.058 435 HA ALA 55 HA ALA 55 -2.345 1.228 5.760 436 HB1 ALA 55 HB1 ALA 55 -1.893 3.609 7.562 437 HB2 ALA 55 HB2 ALA 55 -0.632 2.589 6.871 438 HB3 ALA 55 HB3 ALA 55 -1.773 1.914 8.034 439 H SER 56 H SER 56 -4.129 4.245 6.239 440 HA SER 56 HA SER 56 -6.077 3.068 7.902 441 HB2 SER 56 HB2 SER 56 -7.354 5.148 7.565 442 HB3 SER 56 HB3 SER 56 -5.691 5.464 8.029 443 HG SER 56 HG SER 56 -5.945 5.377 5.328 444 H ALA 57 H ALA 57 -5.887 3.582 4.386 445 HA ALA 57 HA ALA 57 -8.545 2.733 3.827 446 HB1 ALA 57 HB1 ALA 57 -6.079 2.550 2.084 447 HB2 ALA 57 HB2 ALA 57 -7.167 3.934 2.182 448 HB3 ALA 57 HB3 ALA 57 -7.746 2.402 1.530 449 H ALA 58 H ALA 58 -5.499 1.073 4.109 450 HA ALA 58 HA ALA 58 -6.285 -1.519 3.405 451 HB1 ALA 58 HB1 ALA 58 -3.928 -0.743 3.758 452 HB2 ALA 58 HB2 ALA 58 -4.310 -2.265 4.556 453 HB3 ALA 58 HB3 ALA 58 -4.235 -0.773 5.493 454 H TYR 59 H TYR 59 -6.209 0.202 6.461 455 HA TYR 59 HA TYR 59 -7.233 -1.787 8.113 456 HB2 TYR 59 HB2 TYR 59 -6.194 0.254 8.931 457 HB3 TYR 59 HB3 TYR 59 -7.513 1.215 8.284 458 HD1 TYR 59 HD1 TYR 59 -6.686 -1.397 10.781 459 HD2 TYR 59 HD2 TYR 59 -9.434 1.619 9.586 460 HE1 TYR 59 HE1 TYR 59 -7.835 -1.598 12.936 461 HE2 TYR 59 HE2 TYR 59 -10.594 1.425 11.745 462 HH TYR 59 HH TYR 59 -10.864 -0.350 13.529 463 H GLU 60 H GLU 60 -8.836 0.597 6.086 464 HA GLU 60 HA GLU 60 -11.402 0.382 7.081 465 HB2 GLU 60 HB2 GLU 60 -10.466 0.942 4.272 466 HB3 GLU 60 HB3 GLU 60 -12.133 1.114 4.792 467 HG2 GLU 60 HG2 GLU 60 -9.762 2.642 5.829 468 HG3 GLU 60 HG3 GLU 60 -11.022 3.252 4.758 469 H ILE 61 H ILE 61 -9.795 -1.563 4.588 470 HA ILE 61 HA ILE 61 -12.226 -3.228 4.331 471 HB ILE 61 HB ILE 61 -10.892 -4.401 2.546 472 HG12 ILE 61 HG12 ILE 61 -9.028 -2.041 2.896 473 HG13 ILE 61 HG13 ILE 61 -8.656 -3.701 3.341 474 HG21 ILE 61 HG21 ILE 61 -12.585 -2.744 2.012 475 HG22 ILE 61 HG22 ILE 61 -11.229 -2.617 0.893 476 HG23 ILE 61 HG23 ILE 61 -11.403 -1.449 2.203 477 HD11 ILE 61 HD11 ILE 61 -8.828 -4.368 1.015 478 HD12 ILE 61 HD12 ILE 61 -7.634 -3.089 1.238 479 HD13 ILE 61 HD13 ILE 61 -9.221 -2.707 0.567 480 H LEU 62 H LEU 62 -8.827 -3.615 5.118 481 HA LEU 62 HA LEU 62 -8.994 -6.337 5.647 482 HB2 LEU 62 HB2 LEU 62 -7.072 -4.239 6.523 483 HB3 LEU 62 HB3 LEU 62 -6.784 -5.966 6.776 484 HG LEU 62 HG LEU 62 -7.039 -4.505 4.150 485 HD11 LEU 62 HD11 LEU 62 -4.919 -4.123 5.214 486 HD12 LEU 62 HD12 LEU 62 -4.700 -5.196 3.831 487 HD13 LEU 62 HD13 LEU 62 -4.694 -5.853 5.467 488 HD21 LEU 62 HD21 LEU 62 -6.635 -7.447 4.677 489 HD22 LEU 62 HD22 LEU 62 -6.440 -6.669 3.107 490 HD23 LEU 62 HD23 LEU 62 -8.020 -6.688 3.888 491 H SER 63 H SER 63 -9.368 -3.575 7.897 492 HA SER 63 HA SER 63 -9.416 -5.120 10.265 493 HB2 SER 63 HB2 SER 63 -9.124 -2.648 10.223 494 HB3 SER 63 HB3 SER 63 -10.814 -2.487 9.753 495 HG SER 63 HG SER 63 -11.438 -3.337 11.698 496 H ASP 64 H ASP 64 -11.605 -4.981 7.714 497 HA ASP 64 HA ASP 64 -13.778 -5.897 9.439 498 HB2 ASP 64 HB2 ASP 64 -13.772 -4.272 6.980 499 HB3 ASP 64 HB3 ASP 64 -14.997 -5.535 7.039 500 HA PRO 65 HA PRO 65 -12.273 -9.832 8.116 501 HB2 PRO 65 HB2 PRO 65 -14.951 -10.598 9.183 502 HB3 PRO 65 HB3 PRO 65 -13.356 -11.283 9.536 503 HG2 PRO 65 HG2 PRO 65 -14.511 -9.688 11.280 504 HG3 PRO 65 HG3 PRO 65 -12.772 -9.518 10.951 505 HD2 PRO 65 HD2 PRO 65 -15.072 -7.860 9.998 506 HD3 PRO 65 HD3 PRO 65 -13.462 -7.340 10.531 507 H GLU 66 H GLU 66 -15.456 -8.625 7.299 508 HA GLU 66 HA GLU 66 -15.812 -10.770 5.354 509 HB2 GLU 66 HB2 GLU 66 -17.648 -8.454 5.983 510 HB3 GLU 66 HB3 GLU 66 -18.017 -9.796 4.906 511 HG2 GLU 66 HG2 GLU 66 -17.605 -9.886 7.876 512 HG3 GLU 66 HG3 GLU 66 -19.083 -10.226 6.980 513 H LYS 67 H LYS 67 -14.843 -7.450 5.525 514 HA LYS 67 HA LYS 67 -15.108 -6.971 2.719 515 HB2 LYS 67 HB2 LYS 67 -13.883 -5.502 5.041 516 HB3 LYS 67 HB3 LYS 67 -13.922 -4.841 3.390 517 HG2 LYS 67 HG2 LYS 67 -16.304 -5.556 5.105 518 HG3 LYS 67 HG3 LYS 67 -15.694 -3.925 4.814 519 HD2 LYS 67 HD2 LYS 67 -16.136 -4.200 2.416 520 HD3 LYS 67 HD3 LYS 67 -16.766 -5.819 2.722 521 HE2 LYS 67 HE2 LYS 67 -18.517 -4.860 4.134 522 HE3 LYS 67 HE3 LYS 67 -17.886 -3.247 3.814 523 HZ1 LYS 67 HZ1 LYS 67 -18.970 -5.114 1.776 524 HZ2 LYS 67 HZ2 LYS 67 -18.365 -3.564 1.470 525 HZ3 LYS 67 HZ3 LYS 67 -19.766 -3.756 2.393 526 H ARG 68 H ARG 68 -12.914 -8.189 4.993 527 HA ARG 68 HA ARG 68 -10.501 -7.809 3.580 528 HB2 ARG 68 HB2 ARG 68 -11.046 -8.344 6.116 529 HB3 ARG 68 HB3 ARG 68 -10.942 -10.009 5.563 530 HG2 ARG 68 HG2 ARG 68 -8.675 -8.658 4.562 531 HG3 ARG 68 HG3 ARG 68 -8.858 -8.202 6.245 532 HD2 ARG 68 HD2 ARG 68 -7.477 -10.156 6.161 533 HD3 ARG 68 HD3 ARG 68 -9.034 -10.590 6.859 534 HE ARG 68 HE ARG 68 -8.240 -11.168 4.077 535 HH11 ARG 68 HH11 ARG 68 -9.944 -12.030 7.029 536 HH12 ARG 68 HH12 ARG 68 -10.515 -13.536 6.412 537 HH21 ARG 68 HH21 ARG 68 -8.990 -13.208 3.274 538 HH22 ARG 68 HH22 ARG 68 -9.999 -14.188 4.276 539 H ASP 69 H ASP 69 -12.855 -10.461 3.992 540 HA ASP 69 HA ASP 69 -11.514 -12.358 2.350 541 HB2 ASP 69 HB2 ASP 69 -14.436 -12.091 3.092 542 HB3 ASP 69 HB3 ASP 69 -13.804 -13.421 2.140 543 H ILE 70 H ILE 70 -13.956 -9.939 1.807 544 HA ILE 70 HA ILE 70 -14.512 -10.533 -0.878 545 HB ILE 70 HB ILE 70 -14.778 -8.073 0.802 546 HG12 ILE 70 HG12 ILE 70 -16.287 -9.894 1.341 547 HG13 ILE 70 HG13 ILE 70 -17.190 -8.551 0.654 548 HG21 ILE 70 HG21 ILE 70 -15.723 -8.393 -2.067 549 HG22 ILE 70 HG22 ILE 70 -14.458 -7.299 -1.508 550 HG23 ILE 70 HG23 ILE 70 -16.131 -7.043 -1.010 551 HD11 ILE 70 HD11 ILE 70 -17.258 -9.741 -1.503 552 HD12 ILE 70 HD12 ILE 70 -18.029 -10.639 -0.197 553 HD13 ILE 70 HD13 ILE 70 -16.422 -11.102 -0.753 554 H TYR 71 H TYR 71 -12.316 -8.120 0.588 555 HA TYR 71 HA TYR 71 -11.345 -7.240 -1.913 556 HB2 TYR 71 HB2 TYR 71 -11.050 -5.900 0.146 557 HB3 TYR 71 HB3 TYR 71 -9.872 -7.084 0.722 558 HD1 TYR 71 HD1 TYR 71 -10.539 -4.530 -1.852 559 HD2 TYR 71 HD2 TYR 71 -7.644 -7.144 -0.156 560 HE1 TYR 71 HE1 TYR 71 -8.779 -3.415 -3.153 561 HE2 TYR 71 HE2 TYR 71 -5.880 -6.035 -1.442 562 HH TYR 71 HH TYR 71 -5.919 -4.693 -3.777 563 H ASP 72 H ASP 72 -10.267 -9.751 0.268 564 HA ASP 72 HA ASP 72 -7.799 -10.354 -0.889 565 HB2 ASP 72 HB2 ASP 72 -8.603 -11.280 1.262 566 HB3 ASP 72 HB3 ASP 72 -9.749 -12.284 0.382 567 H GLN 73 H GLN 73 -11.041 -11.411 -1.737 568 HA GLN 73 HA GLN 73 -10.306 -13.324 -3.685 569 HB2 GLN 73 HB2 GLN 73 -12.821 -11.688 -3.340 570 HB3 GLN 73 HB3 GLN 73 -12.647 -12.951 -4.550 571 HG2 GLN 73 HG2 GLN 73 -12.311 -14.607 -2.819 572 HG3 GLN 73 HG3 GLN 73 -12.376 -13.350 -1.584 573 HE21 GLN 73 HE21 GLN 73 -14.334 -12.457 -1.038 574 HE22 GLN 73 HE22 GLN 73 -15.848 -13.153 -1.505 575 H PHE 74 H PHE 74 -11.031 -9.862 -3.859 576 HA PHE 74 HA PHE 74 -10.586 -9.667 -6.679 577 HB2 PHE 74 HB2 PHE 74 -10.658 -7.589 -4.493 578 HB3 PHE 74 HB3 PHE 74 -10.351 -7.179 -6.174 579 HD1 PHE 74 HD1 PHE 74 -12.842 -8.195 -3.736 580 HD2 PHE 74 HD2 PHE 74 -12.104 -7.434 -7.851 581 HE1 PHE 74 HE1 PHE 74 -15.263 -8.090 -4.148 582 HE2 PHE 74 HE2 PHE 74 -14.524 -7.328 -8.270 583 HZ PHE 74 HZ PHE 74 -16.106 -7.657 -6.416 584 H GLY 75 H GLY 75 -8.565 -9.525 -3.871 585 HA2 GLY 75 HA2 GLY 75 -6.273 -9.582 -3.662 586 HA3 GLY 75 HA3 GLY 75 -6.179 -9.860 -5.397 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 13.034 6.588 -4.696 2 H2 GLY 1 HT2 GLY 1 13.131 6.385 -6.373 3 H3 GLY 1 HT3 GLY 1 12.714 5.081 -5.385 4 HA2 GLY 1 HA3 GLY 1 10.662 6.108 -4.770 5 HA3 GLY 1 HA2 GLY 1 11.099 7.533 -5.706 6 H GLU 2 H GLU 2 8.889 5.426 -5.868 7 HA GLU 2 HA GLU 2 9.380 4.406 -8.560 8 HB2 GLU 2 HB2 GLU 2 7.085 3.905 -6.661 9 HB3 GLU 2 HB3 GLU 2 7.279 3.152 -8.237 10 HG2 GLU 2 HG2 GLU 2 9.331 2.085 -7.488 11 HG3 GLU 2 HG3 GLU 2 9.166 2.859 -5.913 12 H PHE 3 H PHE 3 7.862 6.979 -6.960 13 HA PHE 3 HA PHE 3 6.595 8.726 -7.592 14 HB2 PHE 3 HB2 PHE 3 7.457 7.896 -10.370 15 HB3 PHE 3 HB3 PHE 3 6.666 9.420 -9.981 16 HD1 PHE 3 HD1 PHE 3 9.773 7.550 -9.922 17 HD2 PHE 3 HD2 PHE 3 7.838 11.108 -8.618 18 HE1 PHE 3 HE1 PHE 3 11.961 8.550 -9.418 19 HE2 PHE 3 HE2 PHE 3 10.025 12.116 -8.115 20 HZ PHE 3 HZ PHE 3 12.088 10.838 -8.515 21 H GLY 4 H GLY 4 5.471 5.952 -7.511 22 HA2 GLY 4 HA2 GLY 4 2.793 6.630 -8.120 23 HA3 GLY 4 HA3 GLY 4 3.437 5.531 -9.338 24 H SER 5 H SER 5 1.321 4.825 -7.597 25 HA SER 5 HA SER 5 2.672 2.689 -6.148 26 HB2 SER 5 HB2 SER 5 2.230 4.404 -4.479 27 HB3 SER 5 HB3 SER 5 0.533 4.459 -4.953 28 HG SER 5 HG SER 5 1.899 2.591 -3.412 29 H MET 6 H MET 6 1.760 0.794 -6.277 30 HA MET 6 HA MET 6 -1.025 0.508 -7.101 31 HB2 MET 6 HB2 MET 6 0.335 0.302 -9.159 32 HB3 MET 6 HB3 MET 6 1.314 -0.934 -8.387 33 HG2 MET 6 HG2 MET 6 -0.289 -1.926 -9.905 34 HG3 MET 6 HG3 MET 6 -0.632 -2.397 -8.242 35 HE1 MET 6 HE1 MET 6 -3.063 -3.216 -8.893 36 HE2 MET 6 HE2 MET 6 -2.732 -2.805 -10.576 37 HE3 MET 6 HE3 MET 6 -4.212 -2.237 -9.805 38 H VAL 7 H VAL 7 -1.958 -1.496 -6.272 39 HA VAL 7 HA VAL 7 -0.220 -2.908 -4.437 40 HB VAL 7 HB VAL 7 -2.851 -1.710 -3.523 41 HG11 VAL 7 HG11 VAL 7 -2.402 -3.895 -2.552 42 HG12 VAL 7 HG12 VAL 7 -2.250 -2.627 -1.335 43 HG13 VAL 7 HG13 VAL 7 -0.804 -3.352 -2.039 44 HG21 VAL 7 HG21 VAL 7 -1.115 0.004 -3.653 45 HG22 VAL 7 HG22 VAL 7 -0.029 -1.008 -2.701 46 HG23 VAL 7 HG23 VAL 7 -1.501 -0.365 -1.973 47 H LYS 8 H LYS 8 -0.434 -4.900 -5.247 48 HA LYS 8 HA LYS 8 -3.064 -5.801 -6.102 49 HB2 LYS 8 HB2 LYS 8 -0.334 -7.032 -6.490 50 HB3 LYS 8 HB3 LYS 8 -1.839 -7.685 -7.116 51 HG2 LYS 8 HG2 LYS 8 -2.127 -5.629 -8.460 52 HG3 LYS 8 HG3 LYS 8 -0.554 -5.073 -7.887 53 HD2 LYS 8 HD2 LYS 8 -1.023 -7.650 -9.390 54 HD3 LYS 8 HD3 LYS 8 -0.472 -6.147 -10.129 55 HE2 LYS 8 HE2 LYS 8 1.506 -6.177 -8.656 56 HE3 LYS 8 HE3 LYS 8 0.957 -7.707 -7.977 57 HZ1 LYS 8 HZ1 LYS 8 2.583 -8.149 -9.639 58 HZ2 LYS 8 HZ2 LYS 8 1.782 -7.198 -10.779 59 HZ3 LYS 8 HZ3 LYS 8 1.087 -8.644 -10.252 60 H GLU 9 H GLU 9 -3.724 -7.888 -5.479 61 HA GLU 9 HA GLU 9 -4.068 -8.814 -3.063 62 HB2 GLU 9 HB2 GLU 9 -3.888 -11.160 -3.815 63 HB3 GLU 9 HB3 GLU 9 -4.740 -10.134 -4.962 64 HG2 GLU 9 HG2 GLU 9 -2.625 -9.926 -6.253 65 HG3 GLU 9 HG3 GLU 9 -1.896 -11.091 -5.156 66 H THR 10 H THR 10 -3.104 -9.769 -1.332 67 HA THR 10 HA THR 10 -1.597 -10.610 0.087 68 HB THR 10 HB THR 10 0.469 -10.677 -2.114 69 HG1 THR 10 HG1 THR 10 -1.851 -12.055 -1.874 70 HG21 THR 10 HG21 THR 10 1.296 -10.983 0.152 71 HG22 THR 10 HG22 THR 10 1.360 -12.514 -0.731 72 HG23 THR 10 HG23 THR 10 0.068 -12.212 0.438 73 H LYS 11 H LYS 11 -0.510 -8.100 -2.046 74 HA LYS 11 HA LYS 11 1.542 -7.047 -0.455 75 HB2 LYS 11 HB2 LYS 11 -0.172 -5.689 -2.484 76 HB3 LYS 11 HB3 LYS 11 1.179 -4.903 -1.668 77 HG2 LYS 11 HG2 LYS 11 2.692 -6.616 -2.517 78 HG3 LYS 11 HG3 LYS 11 1.328 -7.377 -3.341 79 HD2 LYS 11 HD2 LYS 11 1.017 -5.398 -4.703 80 HD3 LYS 11 HD3 LYS 11 2.320 -4.575 -3.843 81 HE2 LYS 11 HE2 LYS 11 2.621 -7.100 -5.463 82 HE3 LYS 11 HE3 LYS 11 3.033 -5.482 -6.026 83 HZ1 LYS 11 HZ1 LYS 11 4.270 -6.911 -3.735 84 HZ2 LYS 11 HZ2 LYS 11 4.636 -5.326 -4.196 85 HZ3 LYS 11 HZ3 LYS 11 4.993 -6.608 -5.234 86 H PHE 12 H PHE 12 -1.889 -6.503 -0.229 87 HA PHE 12 HA PHE 12 -1.689 -4.202 1.422 88 HB2 PHE 12 HB2 PHE 12 -3.892 -6.076 0.746 89 HB3 PHE 12 HB3 PHE 12 -4.051 -5.165 2.246 90 HD1 PHE 12 HD1 PHE 12 -5.171 -5.136 -0.939 91 HD2 PHE 12 HD2 PHE 12 -3.089 -2.596 1.753 92 HE1 PHE 12 HE1 PHE 12 -5.985 -3.159 -2.169 93 HE2 PHE 12 HE2 PHE 12 -3.897 -0.622 0.544 94 HZ PHE 12 HZ PHE 12 -5.345 -0.891 -1.407 95 H TYR 13 H TYR 13 -1.645 -7.625 2.042 96 HA TYR 13 HA TYR 13 -1.816 -7.386 4.914 97 HB2 TYR 13 HB2 TYR 13 -0.741 -9.655 3.211 98 HB3 TYR 13 HB3 TYR 13 -1.042 -9.740 4.943 99 HD1 TYR 13 HD1 TYR 13 -2.465 -9.982 1.647 100 HD2 TYR 13 HD2 TYR 13 -3.410 -9.625 5.771 101 HE1 TYR 13 HE1 TYR 13 -4.746 -10.757 1.179 102 HE2 TYR 13 HE2 TYR 13 -5.700 -10.397 5.318 103 HH TYR 13 HH TYR 13 -6.601 -11.814 2.362 104 H ASP 14 H ASP 14 0.678 -7.828 2.512 105 HA ASP 14 HA ASP 14 2.949 -7.911 4.120 106 HB2 ASP 14 HB2 ASP 14 2.858 -8.433 1.672 107 HB3 ASP 14 HB3 ASP 14 2.737 -6.711 1.357 108 H ILE 15 H ILE 15 1.313 -5.124 2.691 109 HA ILE 15 HA ILE 15 3.098 -3.136 3.504 110 HB ILE 15 HB ILE 15 0.151 -3.066 2.866 111 HG12 ILE 15 HG12 ILE 15 2.521 -1.926 1.373 112 HG13 ILE 15 HG13 ILE 15 1.807 -3.527 1.064 113 HG21 ILE 15 HG21 ILE 15 0.282 -0.611 2.834 114 HG22 ILE 15 HG22 ILE 15 1.928 -0.688 3.461 115 HG23 ILE 15 HG23 ILE 15 0.581 -1.249 4.452 116 HD11 ILE 15 HD11 ILE 15 0.416 -0.868 0.777 117 HD12 ILE 15 HD12 ILE 15 -0.300 -2.450 0.468 118 HD13 ILE 15 HD13 ILE 15 1.029 -1.872 -0.537 119 H LEU 16 H LEU 16 0.077 -4.190 5.107 120 HA LEU 16 HA LEU 16 0.555 -2.675 7.423 121 HB2 LEU 16 HB2 LEU 16 -1.125 -5.140 7.040 122 HB3 LEU 16 HB3 LEU 16 -1.054 -4.265 8.557 123 HG LEU 16 HG LEU 16 -2.081 -3.146 5.930 124 HD11 LEU 16 HD11 LEU 16 -3.555 -3.952 8.423 125 HD12 LEU 16 HD12 LEU 16 -3.519 -4.864 6.916 126 HD13 LEU 16 HD13 LEU 16 -4.255 -3.261 6.959 127 HD21 LEU 16 HD21 LEU 16 -2.829 -1.261 7.312 128 HD22 LEU 16 HD22 LEU 16 -1.074 -1.412 7.316 129 HD23 LEU 16 HD23 LEU 16 -2.007 -1.961 8.707 130 H GLY 17 H GLY 17 1.816 -5.751 6.455 131 HA2 GLY 17 HA2 GLY 17 3.712 -6.761 7.417 132 HA3 GLY 17 HA3 GLY 17 3.489 -5.764 8.849 133 H VAL 18 H VAL 18 0.749 -7.299 7.584 134 HA VAL 18 HA VAL 18 0.742 -9.210 9.822 135 HB VAL 18 HB VAL 18 -1.714 -9.271 9.548 136 HG11 VAL 18 HG11 VAL 18 -0.720 -7.741 11.138 137 HG12 VAL 18 HG12 VAL 18 -2.179 -7.053 10.427 138 HG13 VAL 18 HG13 VAL 18 -0.592 -6.508 9.884 139 HG21 VAL 18 HG21 VAL 18 -2.828 -7.593 8.131 140 HG22 VAL 18 HG22 VAL 18 -1.879 -8.738 7.183 141 HG23 VAL 18 HG23 VAL 18 -1.256 -7.117 7.486 142 HA PRO 19 HA PRO 19 0.699 -12.600 6.914 143 HB2 PRO 19 HB2 PRO 19 -0.943 -14.361 8.161 144 HB3 PRO 19 HB3 PRO 19 0.697 -14.032 8.748 145 HG2 PRO 19 HG2 PRO 19 -1.918 -12.901 9.683 146 HG3 PRO 19 HG3 PRO 19 -0.577 -13.550 10.648 147 HD2 PRO 19 HD2 PRO 19 -0.920 -10.910 10.303 148 HD3 PRO 19 HD3 PRO 19 0.702 -11.622 10.374 149 H VAL 20 H VAL 20 -0.769 -13.769 5.426 150 HA VAL 20 HA VAL 20 -2.955 -12.268 4.520 151 HB VAL 20 HB VAL 20 -2.236 -15.188 4.059 152 HG11 VAL 20 HG11 VAL 20 -4.612 -14.854 3.642 153 HG12 VAL 20 HG12 VAL 20 -3.746 -15.108 2.127 154 HG13 VAL 20 HG13 VAL 20 -4.250 -13.483 2.595 155 HG21 VAL 20 HG21 VAL 20 -1.390 -14.396 1.902 156 HG22 VAL 20 HG22 VAL 20 -0.567 -13.598 3.242 157 HG23 VAL 20 HG23 VAL 20 -1.816 -12.743 2.339 158 H THR 21 H THR 21 -2.540 -14.818 6.784 159 HA THR 21 HA THR 21 -5.376 -15.384 7.160 160 HB THR 21 HB THR 21 -3.069 -16.454 8.804 161 HG1 THR 21 HG1 THR 21 -4.164 -17.531 6.390 162 HG21 THR 21 HG21 THR 21 -5.800 -17.584 8.121 163 HG22 THR 21 HG22 THR 21 -5.318 -16.913 9.679 164 HG23 THR 21 HG23 THR 21 -4.573 -18.398 9.091 165 H ALA 22 H ALA 22 -4.002 -12.719 7.847 166 HA ALA 22 HA ALA 22 -3.732 -12.448 10.607 167 HB1 ALA 22 HB1 ALA 22 -3.796 -10.079 10.236 168 HB2 ALA 22 HB2 ALA 22 -4.517 -10.316 8.643 169 HB3 ALA 22 HB3 ALA 22 -2.866 -10.854 8.952 170 H THR 23 H THR 23 -5.007 -11.619 12.143 171 HA THR 23 HA THR 23 -7.886 -11.836 11.694 172 HB THR 23 HB THR 23 -7.996 -11.820 14.202 173 HG1 THR 23 HG1 THR 23 -5.163 -12.134 13.985 174 HG21 THR 23 HG21 THR 23 -8.065 -13.926 12.973 175 HG22 THR 23 HG22 THR 23 -7.151 -14.124 14.469 176 HG23 THR 23 HG23 THR 23 -6.304 -13.975 12.928 177 H ASP 24 H ASP 24 -9.170 -10.252 13.095 178 HA ASP 24 HA ASP 24 -8.830 -7.668 12.160 179 HB2 ASP 24 HB2 ASP 24 -10.298 -8.599 14.641 180 HB3 ASP 24 HB3 ASP 24 -10.452 -7.003 13.915 181 H VAL 25 H VAL 25 -7.738 -9.129 15.194 182 HA VAL 25 HA VAL 25 -6.955 -6.732 16.457 183 HB VAL 25 HB VAL 25 -6.063 -9.588 16.876 184 HG11 VAL 25 HG11 VAL 25 -5.204 -8.848 19.062 185 HG12 VAL 25 HG12 VAL 25 -5.557 -7.177 18.623 186 HG13 VAL 25 HG13 VAL 25 -4.346 -8.088 17.721 187 HG21 VAL 25 HG21 VAL 25 -7.554 -9.518 18.822 188 HG22 VAL 25 HG22 VAL 25 -8.424 -9.225 17.315 189 HG23 VAL 25 HG23 VAL 25 -8.035 -7.878 18.385 190 H GLU 26 H GLU 26 -5.237 -9.105 14.496 191 HA GLU 26 HA GLU 26 -2.624 -7.982 14.775 192 HB2 GLU 26 HB2 GLU 26 -3.851 -9.782 12.685 193 HB3 GLU 26 HB3 GLU 26 -2.139 -9.363 12.731 194 HG2 GLU 26 HG2 GLU 26 -1.856 -10.452 14.826 195 HG3 GLU 26 HG3 GLU 26 -3.593 -10.695 14.995 196 H ILE 27 H ILE 27 -5.214 -7.686 12.493 197 HA ILE 27 HA ILE 27 -3.986 -5.993 10.648 198 HB ILE 27 HB ILE 27 -6.870 -6.483 11.388 199 HG12 ILE 27 HG12 ILE 27 -5.302 -7.245 8.915 200 HG13 ILE 27 HG13 ILE 27 -5.464 -8.280 10.328 201 HG21 ILE 27 HG21 ILE 27 -6.711 -4.208 10.462 202 HG22 ILE 27 HG22 ILE 27 -7.486 -5.292 9.306 203 HG23 ILE 27 HG23 ILE 27 -5.803 -4.822 9.081 204 HD11 ILE 27 HD11 ILE 27 -7.730 -7.282 8.621 205 HD12 ILE 27 HD12 ILE 27 -7.863 -8.370 10.002 206 HD13 ILE 27 HD13 ILE 27 -7.011 -8.890 8.550 207 H LYS 28 H LYS 28 -6.002 -5.240 13.509 208 HA LYS 28 HA LYS 28 -5.913 -2.452 13.118 209 HB2 LYS 28 HB2 LYS 28 -6.494 -4.086 15.556 210 HB3 LYS 28 HB3 LYS 28 -6.537 -2.329 15.553 211 HG2 LYS 28 HG2 LYS 28 -8.233 -2.418 13.777 212 HG3 LYS 28 HG3 LYS 28 -8.233 -4.178 13.908 213 HD2 LYS 28 HD2 LYS 28 -8.914 -4.016 16.208 214 HD3 LYS 28 HD3 LYS 28 -8.793 -2.254 16.120 215 HE2 LYS 28 HE2 LYS 28 -11.129 -2.970 15.922 216 HE3 LYS 28 HE3 LYS 28 -10.567 -2.200 14.441 217 HZ1 LYS 28 HZ1 LYS 28 -10.758 -5.129 14.883 218 HZ2 LYS 28 HZ2 LYS 28 -10.288 -4.365 13.445 219 HZ3 LYS 28 HZ3 LYS 28 -11.869 -4.197 14.014 220 H LYS 29 H LYS 29 -3.848 -4.593 15.011 221 HA LYS 29 HA LYS 29 -2.440 -2.428 16.177 222 HB2 LYS 29 HB2 LYS 29 -0.735 -4.102 16.852 223 HB3 LYS 29 HB3 LYS 29 -2.369 -4.549 17.309 224 HG2 LYS 29 HG2 LYS 29 -2.462 -6.049 15.357 225 HG3 LYS 29 HG3 LYS 29 -0.775 -5.669 15.012 226 HD2 LYS 29 HD2 LYS 29 -1.807 -6.888 17.578 227 HD3 LYS 29 HD3 LYS 29 -1.044 -7.785 16.266 228 HE2 LYS 29 HE2 LYS 29 0.274 -5.564 17.831 229 HE3 LYS 29 HE3 LYS 29 0.494 -7.282 18.147 230 HZ1 LYS 29 HZ1 LYS 29 1.434 -7.549 15.967 231 HZ2 LYS 29 HZ2 LYS 29 2.277 -6.345 16.802 232 HZ3 LYS 29 HZ3 LYS 29 1.167 -5.924 15.599 233 H ALA 30 H ALA 30 -1.869 -4.336 13.297 234 HA ALA 30 HA ALA 30 0.522 -3.149 12.544 235 HB1 ALA 30 HB1 ALA 30 -1.694 -4.163 10.779 236 HB2 ALA 30 HB2 ALA 30 -0.417 -5.149 11.493 237 HB3 ALA 30 HB3 ALA 30 -0.013 -3.904 10.309 238 H TYR 31 H TYR 31 -2.864 -2.228 12.009 239 HA TYR 31 HA TYR 31 -2.313 -0.021 10.358 240 HB2 TYR 31 HB2 TYR 31 -4.522 -0.922 10.369 241 HB3 TYR 31 HB3 TYR 31 -4.670 -0.693 12.111 242 HD1 TYR 31 HD1 TYR 31 -4.176 1.250 8.955 243 HD2 TYR 31 HD2 TYR 31 -5.717 1.214 12.922 244 HE1 TYR 31 HE1 TYR 31 -5.199 3.456 8.579 245 HE2 TYR 31 HE2 TYR 31 -6.742 3.412 12.551 246 HH TYR 31 HH TYR 31 -7.122 4.775 9.515 247 H ARG 32 H ARG 32 -2.982 -0.285 13.854 248 HA ARG 32 HA ARG 32 -2.638 2.440 14.307 249 HB2 ARG 32 HB2 ARG 32 -2.548 1.983 16.666 250 HB3 ARG 32 HB3 ARG 32 -3.762 0.964 15.921 251 HG2 ARG 32 HG2 ARG 32 -2.799 -0.573 17.270 252 HG3 ARG 32 HG3 ARG 32 -1.733 -0.739 15.872 253 HD2 ARG 32 HD2 ARG 32 -0.073 0.653 16.885 254 HD3 ARG 32 HD3 ARG 32 -1.159 1.078 18.208 255 HE ARG 32 HE ARG 32 -0.946 -1.658 18.288 256 HH11 ARG 32 HH11 ARG 32 1.290 1.034 18.516 257 HH12 ARG 32 HH12 ARG 32 2.388 0.203 19.556 258 HH21 ARG 32 HH21 ARG 32 0.514 -2.767 19.680 259 HH22 ARG 32 HH22 ARG 32 1.950 -1.964 20.215 260 H LYS 33 H LYS 33 -0.228 -0.127 14.171 261 HA LYS 33 HA LYS 33 1.828 1.695 15.075 262 HB2 LYS 33 HB2 LYS 33 3.413 0.009 14.796 263 HB3 LYS 33 HB3 LYS 33 1.960 -0.904 15.162 264 HG2 LYS 33 HG2 LYS 33 1.683 -1.501 12.854 265 HG3 LYS 33 HG3 LYS 33 2.979 -0.392 12.388 266 HD2 LYS 33 HD2 LYS 33 3.807 -2.670 12.377 267 HD3 LYS 33 HD3 LYS 33 4.581 -1.747 13.664 268 HE2 LYS 33 HE2 LYS 33 3.057 -2.735 15.291 269 HE3 LYS 33 HE3 LYS 33 2.264 -3.645 14.007 270 HZ1 LYS 33 HZ1 LYS 33 4.340 -4.809 13.593 271 HZ2 LYS 33 HZ2 LYS 33 3.883 -4.994 15.207 272 HZ3 LYS 33 HZ3 LYS 33 5.112 -3.914 14.803 273 H CYS 34 H CYS 34 0.827 0.531 11.884 274 HA CYS 34 HA CYS 34 2.887 1.909 10.531 275 HB2 CYS 34 HB2 CYS 34 1.578 0.103 9.490 276 HB3 CYS 34 HB3 CYS 34 0.163 1.150 9.472 277 HG CYS 34 HG CYS 34 1.328 3.026 7.718 278 H ALA 35 H ALA 35 -0.485 2.845 11.174 279 HA ALA 35 HA ALA 35 -0.332 5.341 9.857 280 HB1 ALA 35 HB1 ALA 35 -2.174 4.480 12.085 281 HB2 ALA 35 HB2 ALA 35 -2.450 4.231 10.361 282 HB3 ALA 35 HB3 ALA 35 -2.406 5.866 11.019 283 H LEU 36 H LEU 36 -0.064 4.499 13.284 284 HA LEU 36 HA LEU 36 0.437 7.147 14.126 285 HB2 LEU 36 HB2 LEU 36 1.035 4.553 15.507 286 HB3 LEU 36 HB3 LEU 36 1.322 6.120 16.235 287 HG LEU 36 HG LEU 36 -1.375 5.114 15.323 288 HD11 LEU 36 HD11 LEU 36 -1.896 4.895 17.694 289 HD12 LEU 36 HD12 LEU 36 -0.240 5.342 18.103 290 HD13 LEU 36 HD13 LEU 36 -0.558 3.843 17.229 291 HD21 LEU 36 HD21 LEU 36 -2.239 7.044 16.584 292 HD22 LEU 36 HD22 LEU 36 -1.230 7.532 15.226 293 HD23 LEU 36 HD23 LEU 36 -0.585 7.583 16.867 294 H LYS 37 H LYS 37 2.678 4.616 13.172 295 HA LYS 37 HA LYS 37 5.020 5.980 13.960 296 HB2 LYS 37 HB2 LYS 37 4.531 3.822 11.917 297 HB3 LYS 37 HB3 LYS 37 6.139 4.468 12.249 298 HG2 LYS 37 HG2 LYS 37 6.054 3.672 14.510 299 HG3 LYS 37 HG3 LYS 37 4.353 3.232 14.339 300 HD2 LYS 37 HD2 LYS 37 5.727 1.256 14.190 301 HD3 LYS 37 HD3 LYS 37 4.989 1.586 12.626 302 HE2 LYS 37 HE2 LYS 37 7.068 2.607 11.843 303 HE3 LYS 37 HE3 LYS 37 7.808 2.329 13.418 304 HZ1 LYS 37 HZ1 LYS 37 7.605 -0.034 13.076 305 HZ2 LYS 37 HZ2 LYS 37 8.440 0.654 11.778 306 HZ3 LYS 37 HZ3 LYS 37 6.819 0.206 11.601 307 H TYR 38 H TYR 38 3.193 6.054 10.899 308 HA TYR 38 HA TYR 38 5.091 8.100 9.891 309 HB2 TYR 38 HB2 TYR 38 3.374 6.116 8.392 310 HB3 TYR 38 HB3 TYR 38 4.444 7.290 7.630 311 HD1 TYR 38 HD1 TYR 38 4.197 4.115 9.364 312 HD2 TYR 38 HD2 TYR 38 6.914 7.038 7.893 313 HE1 TYR 38 HE1 TYR 38 6.029 2.499 9.572 314 HE2 TYR 38 HE2 TYR 38 8.761 5.420 8.092 315 HH TYR 38 HH TYR 38 9.316 3.408 9.281 316 H HIS 39 H HIS 39 2.453 8.327 11.463 317 HA HIS 39 HA HIS 39 0.452 9.384 9.886 318 HB2 HIS 39 HB2 HIS 39 -0.299 10.617 11.933 319 HB3 HIS 39 HB3 HIS 39 0.002 8.904 12.192 320 HD2 HIS 39 HD2 HIS 39 3.435 9.945 12.469 321 HE1 HIS 39 HE1 HIS 39 1.836 11.043 16.244 322 HE2 HIS 39 HE2 HIS 39 3.911 10.417 14.965 323 HA PRO 40 HA PRO 40 2.057 13.086 8.147 324 HB2 PRO 40 HB2 PRO 40 -0.339 14.316 7.629 325 HB3 PRO 40 HB3 PRO 40 0.333 13.013 6.638 326 HG2 PRO 40 HG2 PRO 40 -1.719 12.868 8.815 327 HG3 PRO 40 HG3 PRO 40 -1.717 12.076 7.226 328 HD2 PRO 40 HD2 PRO 40 -1.041 10.745 9.440 329 HD3 PRO 40 HD3 PRO 40 -0.201 10.456 7.900 330 H ASP 41 H ASP 41 0.134 13.016 10.984 331 HA ASP 41 HA ASP 41 0.093 15.809 11.532 332 HB2 ASP 41 HB2 ASP 41 -0.297 13.425 13.341 333 HB3 ASP 41 HB3 ASP 41 -0.466 15.092 13.882 334 H LYS 42 H LYS 42 2.602 13.519 11.681 335 HA LYS 42 HA LYS 42 4.219 15.416 13.197 336 HB2 LYS 42 HB2 LYS 42 4.170 12.442 13.725 337 HB3 LYS 42 HB3 LYS 42 5.396 13.536 14.343 338 HG2 LYS 42 HG2 LYS 42 2.456 13.758 14.957 339 HG3 LYS 42 HG3 LYS 42 3.639 12.950 15.988 340 HD2 LYS 42 HD2 LYS 42 4.886 15.070 16.174 341 HD3 LYS 42 HD3 LYS 42 3.655 15.863 15.189 342 HE2 LYS 42 HE2 LYS 42 1.967 15.348 16.864 343 HE3 LYS 42 HE3 LYS 42 3.174 14.514 17.840 344 HZ1 LYS 42 HZ1 LYS 42 3.137 17.410 17.178 345 HZ2 LYS 42 HZ2 LYS 42 4.370 16.631 18.025 346 HZ3 LYS 42 HZ3 LYS 42 2.820 16.714 18.685 347 H ASN 43 H ASN 43 3.993 12.695 11.024 348 HA ASN 43 HA ASN 43 6.670 13.128 10.002 349 HB2 ASN 43 HB2 ASN 43 4.511 11.123 9.325 350 HB3 ASN 43 HB3 ASN 43 6.094 11.162 8.564 351 HD21 ASN 43 HD21 ASN 43 7.817 10.331 9.608 352 HD22 ASN 43 HD22 ASN 43 7.724 9.520 11.131 353 HA PRO 44 HA PRO 44 4.480 15.890 7.183 354 HB2 PRO 44 HB2 PRO 44 6.531 17.437 6.524 355 HB3 PRO 44 HB3 PRO 44 5.839 17.496 8.150 356 HG2 PRO 44 HG2 PRO 44 8.303 16.082 7.200 357 HG3 PRO 44 HG3 PRO 44 8.072 17.059 8.661 358 HD2 PRO 44 HD2 PRO 44 7.961 14.306 8.602 359 HD3 PRO 44 HD3 PRO 44 7.139 15.322 9.825 360 H SER 45 H SER 45 6.907 13.606 6.466 361 HA SER 45 HA SER 45 7.489 14.284 3.781 362 HB2 SER 45 HB2 SER 45 7.491 11.549 4.924 363 HB3 SER 45 HB3 SER 45 8.466 12.170 3.609 364 HG SER 45 HG SER 45 9.290 13.730 5.274 365 H GLU 46 H GLU 46 6.683 13.682 1.980 366 HA GLU 46 HA GLU 46 3.937 13.223 1.756 367 HB2 GLU 46 HB2 GLU 46 6.139 12.880 -0.275 368 HB3 GLU 46 HB3 GLU 46 4.431 12.782 -0.664 369 HG2 GLU 46 HG2 GLU 46 4.127 15.089 0.041 370 HG3 GLU 46 HG3 GLU 46 5.837 15.185 0.461 371 H GLU 47 H GLU 47 6.712 11.083 1.429 372 HA GLU 47 HA GLU 47 5.347 8.794 0.573 373 HB2 GLU 47 HB2 GLU 47 7.893 9.176 2.089 374 HB3 GLU 47 HB3 GLU 47 7.368 7.615 1.463 375 HG2 GLU 47 HG2 GLU 47 7.390 8.542 -0.813 376 HG3 GLU 47 HG3 GLU 47 7.974 10.074 -0.167 377 H ALA 48 H ALA 48 6.137 10.033 3.729 378 HA ALA 48 HA ALA 48 5.312 7.795 5.243 379 HB1 ALA 48 HB1 ALA 48 5.325 10.702 6.053 380 HB2 ALA 48 HB2 ALA 48 6.676 9.580 6.223 381 HB3 ALA 48 HB3 ALA 48 5.199 9.333 7.156 382 H ALA 49 H ALA 49 3.748 10.609 4.144 383 HA ALA 49 HA ALA 49 1.179 10.146 5.232 384 HB1 ALA 49 HB1 ALA 49 1.857 12.345 4.389 385 HB2 ALA 49 HB2 ALA 49 0.369 11.797 3.616 386 HB3 ALA 49 HB3 ALA 49 1.902 11.703 2.748 387 H GLU 50 H GLU 50 2.702 9.238 2.207 388 HA GLU 50 HA GLU 50 0.481 8.099 0.913 389 HB2 GLU 50 HB2 GLU 50 3.407 7.341 0.717 390 HB3 GLU 50 HB3 GLU 50 2.160 6.897 -0.440 391 HG2 GLU 50 HG2 GLU 50 1.779 9.352 -0.792 392 HG3 GLU 50 HG3 GLU 50 3.232 9.619 0.190 393 H LYS 51 H LYS 51 2.938 6.791 3.050 394 HA LYS 51 HA LYS 51 2.108 4.134 3.123 395 HB2 LYS 51 HB2 LYS 51 3.466 5.850 5.173 396 HB3 LYS 51 HB3 LYS 51 3.208 4.119 5.376 397 HG2 LYS 51 HG2 LYS 51 4.539 3.663 3.414 398 HG3 LYS 51 HG3 LYS 51 4.752 5.395 3.138 399 HD2 LYS 51 HD2 LYS 51 6.703 4.460 4.232 400 HD3 LYS 51 HD3 LYS 51 5.857 5.600 5.296 401 HE2 LYS 51 HE2 LYS 51 6.564 3.567 6.480 402 HE3 LYS 51 HE3 LYS 51 4.818 3.755 6.508 403 HZ1 LYS 51 HZ1 LYS 51 6.355 1.965 4.672 404 HZ2 LYS 51 HZ2 LYS 51 4.675 2.138 4.667 405 HZ3 LYS 51 HZ3 LYS 51 5.448 1.457 6.003 406 H PHE 52 H PHE 52 1.150 6.898 5.028 407 HA PHE 52 HA PHE 52 -0.581 5.592 6.802 408 HB2 PHE 52 HB2 PHE 52 0.129 7.912 7.135 409 HB3 PHE 52 HB3 PHE 52 -0.746 8.404 5.686 410 HD1 PHE 52 HD1 PHE 52 -1.112 7.254 9.159 411 HD2 PHE 52 HD2 PHE 52 -3.114 8.739 5.711 412 HE1 PHE 52 HE1 PHE 52 -3.137 7.652 10.504 413 HE2 PHE 52 HE2 PHE 52 -5.136 9.136 7.050 414 HZ PHE 52 HZ PHE 52 -5.147 8.592 9.449 415 H LYS 53 H LYS 53 -1.146 7.037 3.618 416 HA LYS 53 HA LYS 53 -3.901 6.483 3.448 417 HB2 LYS 53 HB2 LYS 53 -1.820 6.919 1.317 418 HB3 LYS 53 HB3 LYS 53 -3.529 6.728 0.962 419 HG2 LYS 53 HG2 LYS 53 -2.408 8.864 2.760 420 HG3 LYS 53 HG3 LYS 53 -2.754 9.083 1.041 421 HD2 LYS 53 HD2 LYS 53 -5.111 8.492 1.466 422 HD3 LYS 53 HD3 LYS 53 -4.748 8.342 3.187 423 HE2 LYS 53 HE2 LYS 53 -4.097 10.686 3.261 424 HE3 LYS 53 HE3 LYS 53 -4.418 10.844 1.537 425 HZ1 LYS 53 HZ1 LYS 53 -6.429 10.189 3.620 426 HZ2 LYS 53 HZ2 LYS 53 -6.741 10.322 1.966 427 HZ3 LYS 53 HZ3 LYS 53 -6.256 11.679 2.845 428 H GLU 54 H GLU 54 -1.078 4.539 2.414 429 HA GLU 54 HA GLU 54 -2.693 2.553 1.165 430 HB2 GLU 54 HB2 GLU 54 -0.648 1.240 0.996 431 HB3 GLU 54 HB3 GLU 54 -0.314 2.912 0.568 432 HG2 GLU 54 HG2 GLU 54 0.514 3.237 2.904 433 HG3 GLU 54 HG3 GLU 54 0.373 1.501 3.126 434 H ALA 55 H ALA 55 -1.337 2.963 4.381 435 HA ALA 55 HA ALA 55 -1.956 0.382 5.371 436 HB1 ALA 55 HB1 ALA 55 -1.609 1.350 7.577 437 HB2 ALA 55 HB2 ALA 55 -1.649 2.971 6.882 438 HB3 ALA 55 HB3 ALA 55 -0.343 1.863 6.461 439 H SER 56 H SER 56 -3.685 3.440 5.299 440 HA SER 56 HA SER 56 -5.801 2.547 6.934 441 HB2 SER 56 HB2 SER 56 -6.945 4.616 6.157 442 HB3 SER 56 HB3 SER 56 -5.341 4.904 6.821 443 HG SER 56 HG SER 56 -4.574 5.313 4.853 444 H ALA 57 H ALA 57 -5.338 2.646 3.415 445 HA ALA 57 HA ALA 57 -7.980 1.823 2.761 446 HB1 ALA 57 HB1 ALA 57 -5.417 1.387 1.210 447 HB2 ALA 57 HB2 ALA 57 -6.454 2.809 1.099 448 HB3 ALA 57 HB3 ALA 57 -7.053 1.237 0.567 449 H ALA 58 H ALA 58 -5.026 0.116 3.438 450 HA ALA 58 HA ALA 58 -5.870 -2.514 2.951 451 HB1 ALA 58 HB1 ALA 58 -3.506 -1.769 3.388 452 HB2 ALA 58 HB2 ALA 58 -4.000 -3.207 4.278 453 HB3 ALA 58 HB3 ALA 58 -3.930 -1.644 5.093 454 H TYR 59 H TYR 59 -5.925 -0.472 5.807 455 HA TYR 59 HA TYR 59 -7.132 -2.241 7.588 456 HB2 TYR 59 HB2 TYR 59 -6.056 -0.169 8.255 457 HB3 TYR 59 HB3 TYR 59 -7.296 0.770 7.435 458 HD1 TYR 59 HD1 TYR 59 -6.614 -1.479 10.255 459 HD2 TYR 59 HD2 TYR 59 -9.387 1.216 8.506 460 HE1 TYR 59 HE1 TYR 59 -7.899 -1.476 12.319 461 HE2 TYR 59 HE2 TYR 59 -10.696 1.230 10.586 462 HH TYR 59 HH TYR 59 -11.029 -0.348 12.546 463 H GLU 60 H GLU 60 -8.484 0.003 5.258 464 HA GLU 60 HA GLU 60 -11.116 -0.031 6.105 465 HB2 GLU 60 HB2 GLU 60 -10.003 0.320 3.328 466 HB3 GLU 60 HB3 GLU 60 -11.683 0.605 3.752 467 HG2 GLU 60 HG2 GLU 60 -9.275 2.078 4.779 468 HG3 GLU 60 HG3 GLU 60 -10.501 2.687 3.669 469 H ILE 61 H ILE 61 -9.399 -2.218 3.924 470 HA ILE 61 HA ILE 61 -11.880 -3.730 3.560 471 HB ILE 61 HB ILE 61 -10.534 -5.161 2.016 472 HG12 ILE 61 HG12 ILE 61 -8.439 -3.000 2.328 473 HG13 ILE 61 HG13 ILE 61 -8.308 -4.631 2.975 474 HG21 ILE 61 HG21 ILE 61 -10.501 -3.502 0.196 475 HG22 ILE 61 HG22 ILE 61 -10.671 -2.214 1.390 476 HG23 ILE 61 HG23 ILE 61 -11.965 -3.393 1.175 477 HD11 ILE 61 HD11 ILE 61 -7.045 -4.378 0.921 478 HD12 ILE 61 HD12 ILE 61 -8.515 -3.905 0.068 479 HD13 ILE 61 HD13 ILE 61 -8.360 -5.535 0.721 480 H LEU 62 H LEU 62 -8.605 -4.301 4.722 481 HA LEU 62 HA LEU 62 -9.030 -6.951 5.477 482 HB2 LEU 62 HB2 LEU 62 -7.078 -4.900 6.388 483 HB3 LEU 62 HB3 LEU 62 -6.930 -6.619 6.790 484 HG LEU 62 HG LEU 62 -6.796 -5.322 4.068 485 HD11 LEU 62 HD11 LEU 62 -4.716 -6.740 5.717 486 HD12 LEU 62 HD12 LEU 62 -4.777 -5.022 5.317 487 HD13 LEU 62 HD13 LEU 62 -4.500 -6.214 4.048 488 HD21 LEU 62 HD21 LEU 62 -6.273 -7.589 3.216 489 HD22 LEU 62 HD22 LEU 62 -7.921 -7.435 3.820 490 HD23 LEU 62 HD23 LEU 62 -6.697 -8.249 4.796 491 H SER 63 H SER 63 -9.358 -3.990 7.407 492 HA SER 63 HA SER 63 -9.689 -5.337 9.904 493 HB2 SER 63 HB2 SER 63 -8.999 -2.924 9.621 494 HB3 SER 63 HB3 SER 63 -10.684 -2.567 9.252 495 HG SER 63 HG SER 63 -11.272 -3.080 11.283 496 H ASP 64 H ASP 64 -11.695 -5.092 7.273 497 HA ASP 64 HA ASP 64 -14.022 -5.736 8.925 498 HB2 ASP 64 HB2 ASP 64 -13.886 -4.415 6.216 499 HB3 ASP 64 HB3 ASP 64 -15.346 -5.227 6.773 500 HA PRO 65 HA PRO 65 -12.612 -9.745 7.526 501 HB2 PRO 65 HB2 PRO 65 -15.234 -10.419 8.772 502 HB3 PRO 65 HB3 PRO 65 -13.648 -11.172 9.004 503 HG2 PRO 65 HG2 PRO 65 -14.627 -9.543 10.824 504 HG3 PRO 65 HG3 PRO 65 -12.898 -9.460 10.411 505 HD2 PRO 65 HD2 PRO 65 -15.159 -7.656 9.637 506 HD3 PRO 65 HD3 PRO 65 -13.479 -7.238 10.022 507 H GLU 66 H GLU 66 -15.759 -8.364 6.973 508 HA GLU 66 HA GLU 66 -16.630 -10.331 5.110 509 HB2 GLU 66 HB2 GLU 66 -17.499 -7.464 5.555 510 HB3 GLU 66 HB3 GLU 66 -18.330 -8.595 4.497 511 HG2 GLU 66 HG2 GLU 66 -18.005 -8.851 7.475 512 HG3 GLU 66 HG3 GLU 66 -19.473 -8.386 6.618 513 H LYS 67 H LYS 67 -14.960 -7.308 4.979 514 HA LYS 67 HA LYS 67 -14.954 -7.159 2.121 515 HB2 LYS 67 HB2 LYS 67 -13.791 -5.605 4.397 516 HB3 LYS 67 HB3 LYS 67 -13.442 -5.172 2.702 517 HG2 LYS 67 HG2 LYS 67 -16.170 -5.267 4.010 518 HG3 LYS 67 HG3 LYS 67 -15.239 -3.803 3.687 519 HD2 LYS 67 HD2 LYS 67 -15.312 -4.309 1.275 520 HD3 LYS 67 HD3 LYS 67 -16.284 -5.741 1.616 521 HE2 LYS 67 HE2 LYS 67 -18.032 -4.315 2.575 522 HE3 LYS 67 HE3 LYS 67 -17.059 -2.888 2.219 523 HZ1 LYS 67 HZ1 LYS 67 -17.193 -3.460 -0.142 524 HZ2 LYS 67 HZ2 LYS 67 -18.725 -3.219 0.519 525 HZ3 LYS 67 HZ3 LYS 67 -18.179 -4.784 0.222 526 H ARG 68 H ARG 68 -13.090 -8.352 4.705 527 HA ARG 68 HA ARG 68 -10.570 -8.476 3.454 528 HB2 ARG 68 HB2 ARG 68 -11.343 -8.568 5.963 529 HB3 ARG 68 HB3 ARG 68 -11.531 -10.273 5.639 530 HG2 ARG 68 HG2 ARG 68 -8.940 -8.875 5.095 531 HG3 ARG 68 HG3 ARG 68 -9.314 -9.541 6.680 532 HD2 ARG 68 HD2 ARG 68 -9.044 -10.983 4.033 533 HD3 ARG 68 HD3 ARG 68 -8.055 -11.190 5.476 534 HE ARG 68 HE ARG 68 -10.737 -12.259 5.011 535 HH11 ARG 68 HH11 ARG 68 -7.980 -11.963 7.164 536 HH12 ARG 68 HH12 ARG 68 -8.526 -13.209 8.225 537 HH21 ARG 68 HH21 ARG 68 -11.453 -13.892 6.401 538 HH22 ARG 68 HH22 ARG 68 -10.500 -14.327 7.788 539 H ASP 69 H ASP 69 -13.282 -10.706 4.003 540 HA ASP 69 HA ASP 69 -12.046 -12.904 2.700 541 HB2 ASP 69 HB2 ASP 69 -14.809 -12.324 3.667 542 HB3 ASP 69 HB3 ASP 69 -14.572 -13.656 2.538 543 H ILE 70 H ILE 70 -14.230 -10.382 1.712 544 HA ILE 70 HA ILE 70 -14.619 -11.223 -0.926 545 HB ILE 70 HB ILE 70 -14.608 -8.542 0.402 546 HG12 ILE 70 HG12 ILE 70 -16.431 -9.995 1.022 547 HG13 ILE 70 HG13 ILE 70 -17.049 -8.668 0.047 548 HG21 ILE 70 HG21 ILE 70 -15.631 -7.584 -1.656 549 HG22 ILE 70 HG22 ILE 70 -15.349 -9.114 -2.488 550 HG23 ILE 70 HG23 ILE 70 -13.982 -8.146 -1.937 551 HD11 ILE 70 HD11 ILE 70 -16.584 -11.503 -0.857 552 HD12 ILE 70 HD12 ILE 70 -17.089 -10.181 -1.909 553 HD13 ILE 70 HD13 ILE 70 -18.137 -10.709 -0.593 554 H TYR 71 H TYR 71 -12.177 -9.076 0.502 555 HA TYR 71 HA TYR 71 -10.681 -8.621 -1.832 556 HB2 TYR 71 HB2 TYR 71 -10.266 -7.277 0.130 557 HB3 TYR 71 HB3 TYR 71 -9.786 -8.695 1.057 558 HD1 TYR 71 HD1 TYR 71 -8.806 -6.801 -2.022 559 HD2 TYR 71 HD2 TYR 71 -7.529 -9.167 1.276 560 HE1 TYR 71 HE1 TYR 71 -6.459 -6.427 -2.666 561 HE2 TYR 71 HE2 TYR 71 -5.185 -8.798 0.640 562 HH TYR 71 HH TYR 71 -4.266 -6.494 -1.754 563 H ASP 72 H ASP 72 -10.369 -11.136 0.603 564 HA ASP 72 HA ASP 72 -8.124 -12.468 -0.381 565 HB2 ASP 72 HB2 ASP 72 -9.058 -12.931 1.819 566 HB3 ASP 72 HB3 ASP 72 -10.532 -13.556 1.091 567 H GLN 73 H GLN 73 -11.533 -12.910 -1.134 568 HA GLN 73 HA GLN 73 -11.151 -15.130 -2.875 569 HB2 GLN 73 HB2 GLN 73 -13.469 -13.231 -2.511 570 HB3 GLN 73 HB3 GLN 73 -13.514 -14.631 -3.575 571 HG2 GLN 73 HG2 GLN 73 -13.184 -16.117 -1.712 572 HG3 GLN 73 HG3 GLN 73 -12.979 -14.748 -0.621 573 HE21 GLN 73 HE21 GLN 73 -14.758 -13.577 0.008 574 HE22 GLN 73 HE22 GLN 73 -16.381 -14.136 -0.216 575 H PHE 74 H PHE 74 -11.503 -11.661 -3.342 576 HA PHE 74 HA PHE 74 -11.473 -11.715 -6.181 577 HB2 PHE 74 HB2 PHE 74 -12.316 -9.803 -4.827 578 HB3 PHE 74 HB3 PHE 74 -10.669 -9.466 -4.315 579 HD1 PHE 74 HD1 PHE 74 -12.919 -9.569 -7.246 580 HD2 PHE 74 HD2 PHE 74 -9.220 -8.184 -5.662 581 HE1 PHE 74 HE1 PHE 74 -12.626 -8.117 -9.211 582 HE2 PHE 74 HE2 PHE 74 -8.918 -6.732 -7.625 583 HZ PHE 74 HZ PHE 74 -10.623 -6.696 -9.402 584 H GLY 75 H GLY 75 -9.027 -11.657 -3.713 585 HA2 GLY 75 HA2 GLY 75 -6.875 -11.119 -5.599 586 HA3 GLY 75 HA3 GLY 75 -6.716 -11.339 -3.864 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 11.372 4.251 -8.003 2 H2 GLY 1 HT2 GLY 1 11.608 2.988 -6.914 3 H3 GLY 1 HT3 GLY 1 11.337 4.557 -6.345 4 HA2 GLY 1 HA3 GLY 1 9.349 3.217 -6.105 5 HA3 GLY 1 HA2 GLY 1 9.110 4.540 -7.238 6 H GLU 2 H GLU 2 7.729 1.937 -7.011 7 HA GLU 2 HA GLU 2 8.597 0.493 -9.368 8 HB2 GLU 2 HB2 GLU 2 7.789 -0.747 -7.392 9 HB3 GLU 2 HB3 GLU 2 6.221 0.029 -7.551 10 HG2 GLU 2 HG2 GLU 2 5.886 -1.058 -9.704 11 HG3 GLU 2 HG3 GLU 2 7.474 -1.812 -9.578 12 H PHE 3 H PHE 3 7.985 1.054 -11.311 13 HA PHE 3 HA PHE 3 6.077 3.076 -11.819 14 HB2 PHE 3 HB2 PHE 3 7.438 1.124 -13.676 15 HB3 PHE 3 HB3 PHE 3 6.441 2.467 -14.218 16 HD1 PHE 3 HD1 PHE 3 9.653 1.470 -12.828 17 HD2 PHE 3 HD2 PHE 3 7.209 4.767 -13.946 18 HE1 PHE 3 HE1 PHE 3 11.619 2.946 -12.762 19 HE2 PHE 3 HE2 PHE 3 9.170 6.248 -13.883 20 HZ PHE 3 HZ PHE 3 11.380 5.339 -13.290 21 H GLY 4 H GLY 4 5.964 -0.451 -12.088 22 HA2 GLY 4 HA2 GLY 4 3.194 -0.564 -11.696 23 HA3 GLY 4 HA3 GLY 4 3.521 -0.638 -13.420 24 H SER 5 H SER 5 2.339 -2.727 -12.778 25 HA SER 5 HA SER 5 4.235 -4.850 -12.933 26 HB2 SER 5 HB2 SER 5 4.159 -4.475 -10.468 27 HB3 SER 5 HB3 SER 5 2.416 -4.727 -10.507 28 HG SER 5 HG SER 5 4.470 -6.595 -11.075 29 H MET 6 H MET 6 3.165 -6.864 -13.506 30 HA MET 6 HA MET 6 0.886 -6.538 -15.123 31 HB2 MET 6 HB2 MET 6 2.129 -9.027 -13.947 32 HB3 MET 6 HB3 MET 6 0.788 -9.063 -15.078 33 HG2 MET 6 HG2 MET 6 2.133 -8.060 -16.790 34 HG3 MET 6 HG3 MET 6 3.466 -7.830 -15.661 35 HE1 MET 6 HE1 MET 6 1.033 -10.906 -16.193 36 HE2 MET 6 HE2 MET 6 2.014 -11.905 -17.264 37 HE3 MET 6 HE3 MET 6 1.415 -10.343 -17.821 38 H VAL 7 H VAL 7 1.285 -7.660 -11.811 39 HA VAL 7 HA VAL 7 -1.584 -7.329 -11.404 40 HB VAL 7 HB VAL 7 -0.072 -9.790 -10.471 41 HG11 VAL 7 HG11 VAL 7 -1.710 -9.030 -8.845 42 HG12 VAL 7 HG12 VAL 7 -2.216 -10.542 -9.596 43 HG13 VAL 7 HG13 VAL 7 -2.958 -9.020 -10.091 44 HG21 VAL 7 HG21 VAL 7 -0.612 -9.921 -12.845 45 HG22 VAL 7 HG22 VAL 7 -2.295 -9.531 -12.496 46 HG23 VAL 7 HG23 VAL 7 -1.604 -11.046 -11.918 47 H LYS 8 H LYS 8 -1.720 -5.872 -9.852 48 HA LYS 8 HA LYS 8 0.368 -5.819 -7.782 49 HB2 LYS 8 HB2 LYS 8 -1.648 -3.672 -8.476 50 HB3 LYS 8 HB3 LYS 8 -0.456 -3.553 -7.189 51 HG2 LYS 8 HG2 LYS 8 1.318 -3.869 -8.941 52 HG3 LYS 8 HG3 LYS 8 0.048 -3.705 -10.151 53 HD2 LYS 8 HD2 LYS 8 0.695 -1.639 -8.051 54 HD3 LYS 8 HD3 LYS 8 1.299 -1.601 -9.707 55 HE2 LYS 8 HE2 LYS 8 -1.028 -1.518 -10.515 56 HE3 LYS 8 HE3 LYS 8 -1.589 -1.482 -8.844 57 HZ1 LYS 8 HZ1 LYS 8 0.087 0.567 -10.191 58 HZ2 LYS 8 HZ2 LYS 8 -0.306 0.585 -8.551 59 HZ3 LYS 8 HZ3 LYS 8 -1.523 0.740 -9.709 60 H GLU 9 H GLU 9 -0.038 -6.782 -5.946 61 HA GLU 9 HA GLU 9 -2.742 -6.745 -4.870 62 HB2 GLU 9 HB2 GLU 9 -1.252 -9.252 -5.535 63 HB3 GLU 9 HB3 GLU 9 -2.528 -9.210 -4.327 64 HG2 GLU 9 HG2 GLU 9 -4.045 -8.345 -5.982 65 HG3 GLU 9 HG3 GLU 9 -2.790 -8.473 -7.215 66 H THR 10 H THR 10 -2.966 -7.340 -2.744 67 HA THR 10 HA THR 10 -2.504 -7.577 -0.585 68 HB THR 10 HB THR 10 -0.620 -8.793 0.223 69 HG1 THR 10 HG1 THR 10 1.074 -7.656 -0.802 70 HG21 THR 10 HG21 THR 10 -0.509 -10.737 -1.275 71 HG22 THR 10 HG22 THR 10 -1.228 -9.776 -2.568 72 HG23 THR 10 HG23 THR 10 -2.160 -10.136 -1.114 73 H LYS 11 H LYS 11 -1.815 -5.200 -2.221 74 HA LYS 11 HA LYS 11 0.418 -3.872 -1.137 75 HB2 LYS 11 HB2 LYS 11 -2.154 -2.715 -2.188 76 HB3 LYS 11 HB3 LYS 11 -0.790 -1.731 -1.689 77 HG2 LYS 11 HG2 LYS 11 0.597 -2.858 -3.398 78 HG3 LYS 11 HG3 LYS 11 -0.842 -3.743 -3.919 79 HD2 LYS 11 HD2 LYS 11 -0.547 -1.840 -5.375 80 HD3 LYS 11 HD3 LYS 11 -1.958 -1.552 -4.352 81 HE2 LYS 11 HE2 LYS 11 -0.605 -0.158 -2.864 82 HE3 LYS 11 HE3 LYS 11 0.819 -0.470 -3.852 83 HZ1 LYS 11 HZ1 LYS 11 -0.141 1.674 -4.352 84 HZ2 LYS 11 HZ2 LYS 11 -1.629 0.964 -4.732 85 HZ3 LYS 11 HZ3 LYS 11 -0.282 0.660 -5.695 86 H PHE 12 H PHE 12 -2.890 -4.060 0.045 87 HA PHE 12 HA PHE 12 -2.430 -2.153 2.098 88 HB2 PHE 12 HB2 PHE 12 -4.676 -4.063 1.554 89 HB3 PHE 12 HB3 PHE 12 -4.610 -3.125 3.047 90 HD1 PHE 12 HD1 PHE 12 -6.306 -3.165 0.189 91 HD2 PHE 12 HD2 PHE 12 -3.675 -0.536 2.252 92 HE1 PHE 12 HE1 PHE 12 -7.323 -1.239 -0.962 93 HE2 PHE 12 HE2 PHE 12 -4.688 1.386 1.114 94 HZ PHE 12 HZ PHE 12 -6.513 1.042 -0.488 95 H TYR 13 H TYR 13 -2.190 -5.652 1.887 96 HA TYR 13 HA TYR 13 -1.885 -6.076 4.694 97 HB2 TYR 13 HB2 TYR 13 -0.896 -7.751 2.365 98 HB3 TYR 13 HB3 TYR 13 -0.847 -8.256 4.050 99 HD1 TYR 13 HD1 TYR 13 -2.603 -8.584 1.084 100 HD2 TYR 13 HD2 TYR 13 -3.271 -8.048 5.245 101 HE1 TYR 13 HE1 TYR 13 -4.851 -9.547 0.841 102 HE2 TYR 13 HE2 TYR 13 -5.515 -9.011 5.017 103 HH TYR 13 HH TYR 13 -7.213 -9.296 3.215 104 H ASP 14 H ASP 14 0.377 -5.759 2.014 105 HA ASP 14 HA ASP 14 2.770 -5.789 3.428 106 HB2 ASP 14 HB2 ASP 14 1.984 -4.454 0.865 107 HB3 ASP 14 HB3 ASP 14 3.603 -4.267 1.513 108 H ILE 15 H ILE 15 0.710 -3.016 2.672 109 HA ILE 15 HA ILE 15 2.419 -1.080 3.773 110 HB ILE 15 HB ILE 15 -0.529 -1.113 3.253 111 HG12 ILE 15 HG12 ILE 15 1.695 0.480 1.965 112 HG13 ILE 15 HG13 ILE 15 1.079 -1.077 1.361 113 HG21 ILE 15 HG21 ILE 15 -0.192 0.403 5.157 114 HG22 ILE 15 HG22 ILE 15 -0.570 1.328 3.703 115 HG23 ILE 15 HG23 ILE 15 1.093 1.237 4.281 116 HD11 ILE 15 HD11 ILE 15 0.139 0.790 0.131 117 HD12 ILE 15 HD12 ILE 15 -0.486 1.484 1.628 118 HD13 ILE 15 HD13 ILE 15 -1.117 -0.054 1.038 119 H LEU 16 H LEU 16 -0.413 -2.654 5.284 120 HA LEU 16 HA LEU 16 0.077 -1.532 7.823 121 HB2 LEU 16 HB2 LEU 16 -1.448 -4.018 7.087 122 HB3 LEU 16 HB3 LEU 16 -1.354 -3.412 8.728 123 HG LEU 16 HG LEU 16 -2.639 -1.980 6.375 124 HD11 LEU 16 HD11 LEU 16 -3.869 -3.929 7.189 125 HD12 LEU 16 HD12 LEU 16 -4.705 -2.410 7.513 126 HD13 LEU 16 HD13 LEU 16 -3.853 -3.244 8.814 127 HD21 LEU 16 HD21 LEU 16 -2.425 -1.212 9.287 128 HD22 LEU 16 HD22 LEU 16 -3.400 -0.383 8.074 129 HD23 LEU 16 HD23 LEU 16 -1.642 -0.392 7.935 130 H GLY 17 H GLY 17 1.469 -4.360 6.303 131 HA2 GLY 17 HA2 GLY 17 3.532 -5.287 7.010 132 HA3 GLY 17 HA3 GLY 17 3.257 -4.620 8.617 133 H VAL 18 H VAL 18 0.578 -5.987 7.270 134 HA VAL 18 HA VAL 18 0.729 -8.328 9.046 135 HB VAL 18 HB VAL 18 -1.706 -8.558 8.635 136 HG11 VAL 18 HG11 VAL 18 -0.860 -5.835 9.569 137 HG12 VAL 18 HG12 VAL 18 -0.917 -7.303 10.546 138 HG13 VAL 18 HG13 VAL 18 -2.407 -6.609 9.907 139 HG21 VAL 18 HG21 VAL 18 -2.934 -6.777 7.503 140 HG22 VAL 18 HG22 VAL 18 -1.789 -7.554 6.408 141 HG23 VAL 18 HG23 VAL 18 -1.413 -5.981 7.101 142 HA PRO 19 HA PRO 19 1.139 -11.056 5.528 143 HB2 PRO 19 HB2 PRO 19 -0.136 -13.259 6.356 144 HB3 PRO 19 HB3 PRO 19 1.371 -12.743 7.130 145 HG2 PRO 19 HG2 PRO 19 -1.460 -12.238 7.994 146 HG3 PRO 19 HG3 PRO 19 -0.129 -12.911 8.949 147 HD2 PRO 19 HD2 PRO 19 -0.789 -10.298 9.096 148 HD3 PRO 19 HD3 PRO 19 0.912 -10.793 9.158 149 H VAL 20 H VAL 20 -0.154 -12.125 3.855 150 HA VAL 20 HA VAL 20 -2.588 -10.905 3.217 151 HB VAL 20 HB VAL 20 -1.522 -13.625 2.376 152 HG11 VAL 20 HG11 VAL 20 -3.710 -11.972 1.139 153 HG12 VAL 20 HG12 VAL 20 -3.897 -13.515 1.970 154 HG13 VAL 20 HG13 VAL 20 -3.018 -13.437 0.446 155 HG21 VAL 20 HG21 VAL 20 -0.803 -12.458 0.336 156 HG22 VAL 20 HG22 VAL 20 -0.009 -11.844 1.783 157 HG23 VAL 20 HG23 VAL 20 -1.325 -10.932 1.048 158 H THR 21 H THR 21 -1.695 -13.767 4.986 159 HA THR 21 HA THR 21 -4.310 -14.792 5.513 160 HB THR 21 HB THR 21 -2.882 -16.059 7.297 161 HG1 THR 21 HG1 THR 21 -0.797 -15.720 7.252 162 HG21 THR 21 HG21 THR 21 -2.320 -16.369 4.337 163 HG22 THR 21 HG22 THR 21 -3.710 -17.048 5.182 164 HG23 THR 21 HG23 THR 21 -2.083 -17.610 5.567 165 H ALA 22 H ALA 22 -3.306 -11.927 6.492 166 HA ALA 22 HA ALA 22 -3.089 -11.915 9.249 167 HB1 ALA 22 HB1 ALA 22 -4.294 -9.734 7.587 168 HB2 ALA 22 HB2 ALA 22 -2.566 -10.050 7.721 169 HB3 ALA 22 HB3 ALA 22 -3.492 -9.582 9.152 170 H THR 23 H THR 23 -4.370 -11.666 10.891 171 HA THR 23 HA THR 23 -7.245 -12.024 10.506 172 HB THR 23 HB THR 23 -7.263 -12.462 12.962 173 HG1 THR 23 HG1 THR 23 -4.417 -12.340 12.734 174 HG21 THR 23 HG21 THR 23 -6.105 -14.628 12.888 175 HG22 THR 23 HG22 THR 23 -5.261 -14.127 11.423 176 HG23 THR 23 HG23 THR 23 -7.011 -14.340 11.403 177 H ASP 24 H ASP 24 -8.630 -10.667 12.050 178 HA ASP 24 HA ASP 24 -8.224 -7.974 11.492 179 HB2 ASP 24 HB2 ASP 24 -10.014 -7.594 13.164 180 HB3 ASP 24 HB3 ASP 24 -10.456 -8.685 11.843 181 H VAL 25 H VAL 25 -7.396 -9.868 14.283 182 HA VAL 25 HA VAL 25 -6.922 -7.738 16.063 183 HB VAL 25 HB VAL 25 -5.895 -10.539 15.896 184 HG11 VAL 25 HG11 VAL 25 -5.124 -10.275 18.248 185 HG12 VAL 25 HG12 VAL 25 -5.549 -8.565 18.177 186 HG13 VAL 25 HG13 VAL 25 -4.256 -9.194 17.157 187 HG21 VAL 25 HG21 VAL 25 -8.261 -10.357 16.313 188 HG22 VAL 25 HG22 VAL 25 -7.969 -9.254 17.657 189 HG23 VAL 25 HG23 VAL 25 -7.446 -10.934 17.767 190 H GLU 26 H GLU 26 -4.839 -9.485 13.770 191 HA GLU 26 HA GLU 26 -2.388 -8.176 14.393 192 HB2 GLU 26 HB2 GLU 26 -3.390 -9.566 11.905 193 HB3 GLU 26 HB3 GLU 26 -1.731 -9.010 12.112 194 HG2 GLU 26 HG2 GLU 26 -1.393 -10.532 13.928 195 HG3 GLU 26 HG3 GLU 26 -3.094 -10.995 13.914 196 H ILE 27 H ILE 27 -5.037 -7.580 12.283 197 HA ILE 27 HA ILE 27 -3.926 -5.491 10.761 198 HB ILE 27 HB ILE 27 -6.753 -6.412 11.288 199 HG12 ILE 27 HG12 ILE 27 -5.101 -6.522 8.764 200 HG13 ILE 27 HG13 ILE 27 -5.078 -7.798 9.974 201 HG21 ILE 27 HG21 ILE 27 -5.842 -4.264 9.356 202 HG22 ILE 27 HG22 ILE 27 -6.812 -4.002 10.806 203 HG23 ILE 27 HG23 ILE 27 -7.471 -4.934 9.462 204 HD11 ILE 27 HD11 ILE 27 -6.576 -8.153 7.991 205 HD12 ILE 27 HD12 ILE 27 -7.606 -6.876 8.652 206 HD13 ILE 27 HD13 ILE 27 -7.320 -8.347 9.574 207 H LYS 28 H LYS 28 -5.894 -5.556 13.725 208 HA LYS 28 HA LYS 28 -6.395 -2.806 13.966 209 HB2 LYS 28 HB2 LYS 28 -6.083 -4.972 16.058 210 HB3 LYS 28 HB3 LYS 28 -6.652 -3.354 16.417 211 HG2 LYS 28 HG2 LYS 28 -8.016 -5.253 14.521 212 HG3 LYS 28 HG3 LYS 28 -8.440 -5.062 16.221 213 HD2 LYS 28 HD2 LYS 28 -8.459 -2.848 14.197 214 HD3 LYS 28 HD3 LYS 28 -9.886 -3.774 14.657 215 HE2 LYS 28 HE2 LYS 28 -9.470 -3.058 17.027 216 HE3 LYS 28 HE3 LYS 28 -8.205 -1.995 16.422 217 HZ1 LYS 28 HZ1 LYS 28 -9.883 -0.856 15.074 218 HZ2 LYS 28 HZ2 LYS 28 -10.254 -0.788 16.718 219 HZ3 LYS 28 HZ3 LYS 28 -11.086 -1.857 15.719 220 H LYS 29 H LYS 29 -3.833 -4.842 15.227 221 HA LYS 29 HA LYS 29 -2.535 -2.650 16.529 222 HB2 LYS 29 HB2 LYS 29 -0.696 -4.211 17.030 223 HB3 LYS 29 HB3 LYS 29 -2.268 -4.820 17.515 224 HG2 LYS 29 HG2 LYS 29 -2.318 -6.217 15.495 225 HG3 LYS 29 HG3 LYS 29 -0.689 -5.670 15.090 226 HD2 LYS 29 HD2 LYS 29 -1.505 -7.153 17.602 227 HD3 LYS 29 HD3 LYS 29 -0.629 -7.841 16.233 228 HE2 LYS 29 HE2 LYS 29 1.221 -6.266 16.649 229 HE3 LYS 29 HE3 LYS 29 0.346 -5.618 18.034 230 HZ1 LYS 29 HZ1 LYS 29 1.365 -8.391 17.740 231 HZ2 LYS 29 HZ2 LYS 29 0.439 -7.836 19.042 232 HZ3 LYS 29 HZ3 LYS 29 1.972 -7.194 18.764 233 H ALA 30 H ALA 30 -2.028 -4.282 13.465 234 HA ALA 30 HA ALA 30 0.313 -2.951 12.753 235 HB1 ALA 30 HB1 ALA 30 -0.571 -4.892 11.552 236 HB2 ALA 30 HB2 ALA 30 -0.243 -3.536 10.474 237 HB3 ALA 30 HB3 ALA 30 -1.901 -3.902 10.953 238 H TYR 31 H TYR 31 -3.099 -2.119 12.403 239 HA TYR 31 HA TYR 31 -2.712 0.248 10.934 240 HB2 TYR 31 HB2 TYR 31 -4.887 -0.708 10.948 241 HB3 TYR 31 HB3 TYR 31 -4.945 -0.733 12.709 242 HD1 TYR 31 HD1 TYR 31 -4.729 1.651 9.834 243 HD2 TYR 31 HD2 TYR 31 -6.013 0.983 13.833 244 HE1 TYR 31 HE1 TYR 31 -5.871 3.832 9.833 245 HE2 TYR 31 HE2 TYR 31 -7.155 3.152 13.839 246 HH TYR 31 HH TYR 31 -7.790 4.887 11.051 247 H ARG 32 H ARG 32 -3.136 -0.396 14.383 248 HA ARG 32 HA ARG 32 -2.985 2.283 15.163 249 HB2 ARG 32 HB2 ARG 32 -2.942 1.568 17.397 250 HB3 ARG 32 HB3 ARG 32 -3.811 0.295 16.564 251 HG2 ARG 32 HG2 ARG 32 -2.445 -0.972 17.873 252 HG3 ARG 32 HG3 ARG 32 -1.386 -0.789 16.471 253 HD2 ARG 32 HD2 ARG 32 -0.371 1.200 17.602 254 HD3 ARG 32 HD3 ARG 32 -1.322 0.808 19.032 255 HE ARG 32 HE ARG 32 0.178 -1.446 18.241 256 HH11 ARG 32 HH11 ARG 32 0.582 1.724 19.697 257 HH12 ARG 32 HH12 ARG 32 2.031 1.298 20.536 258 HH21 ARG 32 HH21 ARG 32 2.122 -2.008 19.368 259 HH22 ARG 32 HH22 ARG 32 2.905 -0.819 20.352 260 H LYS 33 H LYS 33 -0.453 -0.147 14.723 261 HA LYS 33 HA LYS 33 1.550 1.632 15.757 262 HB2 LYS 33 HB2 LYS 33 3.198 0.036 15.184 263 HB3 LYS 33 HB3 LYS 33 1.806 -0.889 15.713 264 HG2 LYS 33 HG2 LYS 33 1.229 -1.325 13.365 265 HG3 LYS 33 HG3 LYS 33 2.655 -0.394 12.882 266 HD2 LYS 33 HD2 LYS 33 4.098 -1.975 14.064 267 HD3 LYS 33 HD3 LYS 33 2.682 -2.911 14.548 268 HE2 LYS 33 HE2 LYS 33 2.179 -3.368 12.195 269 HE3 LYS 33 HE3 LYS 33 3.580 -2.416 11.708 270 HZ1 LYS 33 HZ1 LYS 33 4.055 -4.784 11.704 271 HZ2 LYS 33 HZ2 LYS 33 3.663 -4.897 13.338 272 HZ3 LYS 33 HZ3 LYS 33 5.004 -3.989 12.852 273 H CYS 34 H CYS 34 0.413 0.785 12.516 274 HA CYS 34 HA CYS 34 2.416 2.202 11.142 275 HB2 CYS 34 HB2 CYS 34 0.898 0.629 10.013 276 HB3 CYS 34 HB3 CYS 34 -0.448 1.731 10.285 277 HG CYS 34 HG CYS 34 0.434 3.699 8.580 278 H ALA 35 H ALA 35 -0.822 3.244 12.159 279 HA ALA 35 HA ALA 35 -0.594 5.872 11.181 280 HB1 ALA 35 HB1 ALA 35 -2.502 6.370 12.640 281 HB2 ALA 35 HB2 ALA 35 -2.280 4.823 13.457 282 HB3 ALA 35 HB3 ALA 35 -2.737 4.863 11.753 283 H LEU 36 H LEU 36 -0.057 4.573 14.429 284 HA LEU 36 HA LEU 36 0.654 7.059 15.590 285 HB2 LEU 36 HB2 LEU 36 1.269 4.252 16.471 286 HB3 LEU 36 HB3 LEU 36 1.724 5.668 17.397 287 HG LEU 36 HG LEU 36 -1.115 4.940 16.675 288 HD11 LEU 36 HD11 LEU 36 -0.159 3.298 18.193 289 HD12 LEU 36 HD12 LEU 36 -1.350 4.300 19.022 290 HD13 LEU 36 HD13 LEU 36 0.372 4.586 19.272 291 HD21 LEU 36 HD21 LEU 36 -1.698 6.631 18.363 292 HD22 LEU 36 HD22 LEU 36 -0.810 7.328 17.011 293 HD23 LEU 36 HD23 LEU 36 0.011 7.027 18.543 294 H LYS 37 H LYS 37 2.619 4.551 14.128 295 HA LYS 37 HA LYS 37 5.102 5.741 14.809 296 HB2 LYS 37 HB2 LYS 37 4.367 3.646 12.769 297 HB3 LYS 37 HB3 LYS 37 6.022 4.164 13.078 298 HG2 LYS 37 HG2 LYS 37 5.923 3.347 15.335 299 HG3 LYS 37 HG3 LYS 37 4.199 3.015 15.188 300 HD2 LYS 37 HD2 LYS 37 5.396 0.951 14.992 301 HD3 LYS 37 HD3 LYS 37 4.740 1.364 13.411 302 HE2 LYS 37 HE2 LYS 37 6.993 0.571 13.137 303 HE3 LYS 37 HE3 LYS 37 6.960 2.299 12.795 304 HZ1 LYS 37 HZ1 LYS 37 7.833 1.061 15.349 305 HZ2 LYS 37 HZ2 LYS 37 7.824 2.719 15.013 306 HZ3 LYS 37 HZ3 LYS 37 8.858 1.691 14.160 307 H TYR 38 H TYR 38 3.047 5.931 11.909 308 HA TYR 38 HA TYR 38 4.987 7.848 10.769 309 HB2 TYR 38 HB2 TYR 38 3.116 5.912 9.466 310 HB3 TYR 38 HB3 TYR 38 3.986 7.141 8.556 311 HD1 TYR 38 HD1 TYR 38 4.240 4.024 10.443 312 HD2 TYR 38 HD2 TYR 38 6.429 6.985 8.318 313 HE1 TYR 38 HE1 TYR 38 6.182 2.531 10.378 314 HE2 TYR 38 HE2 TYR 38 8.381 5.493 8.243 315 HH TYR 38 HH TYR 38 8.186 2.164 9.249 316 H HIS 39 H HIS 39 2.347 8.341 12.400 317 HA HIS 39 HA HIS 39 0.640 9.795 10.684 318 HB2 HIS 39 HB2 HIS 39 -0.267 10.820 12.713 319 HB3 HIS 39 HB3 HIS 39 -0.021 9.091 12.946 320 HD2 HIS 39 HD2 HIS 39 3.315 9.628 13.652 321 HE1 HIS 39 HE1 HIS 39 1.592 11.434 17.067 322 HE2 HIS 39 HE2 HIS 39 3.501 10.098 16.188 323 HA PRO 40 HA PRO 40 2.875 13.481 9.687 324 HB2 PRO 40 HB2 PRO 40 0.825 15.295 9.559 325 HB3 PRO 40 HB3 PRO 40 1.159 14.097 8.299 326 HG2 PRO 40 HG2 PRO 40 -0.837 13.991 10.533 327 HG3 PRO 40 HG3 PRO 40 -1.048 13.554 8.827 328 HD2 PRO 40 HD2 PRO 40 -0.668 11.684 10.703 329 HD3 PRO 40 HD3 PRO 40 0.049 11.523 9.084 330 H ASP 41 H ASP 41 0.939 13.361 12.539 331 HA ASP 41 HA ASP 41 1.436 15.920 13.620 332 HB2 ASP 41 HB2 ASP 41 0.751 13.300 14.937 333 HB3 ASP 41 HB3 ASP 41 0.853 14.826 15.809 334 H LYS 42 H LYS 42 3.485 13.264 13.270 335 HA LYS 42 HA LYS 42 5.503 14.525 14.962 336 HB2 LYS 42 HB2 LYS 42 4.705 11.622 15.148 337 HB3 LYS 42 HB3 LYS 42 6.244 12.212 15.734 338 HG2 LYS 42 HG2 LYS 42 3.575 13.202 16.698 339 HG3 LYS 42 HG3 LYS 42 4.528 11.946 17.492 340 HD2 LYS 42 HD2 LYS 42 6.387 13.568 17.729 341 HD3 LYS 42 HD3 LYS 42 5.350 14.813 17.033 342 HE2 LYS 42 HE2 LYS 42 3.761 14.517 18.864 343 HE3 LYS 42 HE3 LYS 42 4.788 13.264 19.555 344 HZ1 LYS 42 HZ1 LYS 42 6.528 14.902 19.859 345 HZ2 LYS 42 HZ2 LYS 42 5.117 15.379 20.648 346 HZ3 LYS 42 HZ3 LYS 42 5.548 16.107 19.188 347 H ASN 43 H ASN 43 4.585 12.531 12.324 348 HA ASN 43 HA ASN 43 7.332 12.382 11.354 349 HB2 ASN 43 HB2 ASN 43 4.835 10.892 10.533 350 HB3 ASN 43 HB3 ASN 43 6.431 10.629 9.854 351 HD21 ASN 43 HD21 ASN 43 7.915 9.445 10.970 352 HD22 ASN 43 HD22 ASN 43 7.540 8.611 12.435 353 HA PRO 44 HA PRO 44 5.800 15.853 8.931 354 HB2 PRO 44 HB2 PRO 44 8.187 16.646 7.971 355 HB3 PRO 44 HB3 PRO 44 7.691 16.946 9.640 356 HG2 PRO 44 HG2 PRO 44 9.460 14.787 8.554 357 HG3 PRO 44 HG3 PRO 44 9.693 15.807 9.986 358 HD2 PRO 44 HD2 PRO 44 8.748 13.267 10.122 359 HD3 PRO 44 HD3 PRO 44 8.262 14.546 11.278 360 H SER 45 H SER 45 7.321 13.000 7.739 361 HA SER 45 HA SER 45 7.499 13.776 5.031 362 HB2 SER 45 HB2 SER 45 7.490 11.191 4.796 363 HB3 SER 45 HB3 SER 45 8.880 12.029 5.478 364 HG SER 45 HG SER 45 6.757 11.060 7.078 365 H GLU 46 H GLU 46 6.069 13.897 3.584 366 HA GLU 46 HA GLU 46 3.356 13.402 4.084 367 HB2 GLU 46 HB2 GLU 46 4.788 13.984 1.506 368 HB3 GLU 46 HB3 GLU 46 3.040 13.800 1.613 369 HG2 GLU 46 HG2 GLU 46 2.988 15.619 3.276 370 HG3 GLU 46 HG3 GLU 46 4.719 15.837 3.046 371 H GLU 47 H GLU 47 5.820 11.481 2.595 372 HA GLU 47 HA GLU 47 4.312 9.420 1.437 373 HB2 GLU 47 HB2 GLU 47 6.916 9.394 2.943 374 HB3 GLU 47 HB3 GLU 47 6.313 8.003 2.058 375 HG2 GLU 47 HG2 GLU 47 6.783 10.637 0.709 376 HG3 GLU 47 HG3 GLU 47 8.082 9.472 0.945 377 H ALA 48 H ALA 48 5.405 9.990 4.693 378 HA ALA 48 HA ALA 48 4.445 7.586 5.853 379 HB1 ALA 48 HB1 ALA 48 5.020 10.259 7.130 380 HB2 ALA 48 HB2 ALA 48 6.150 8.913 6.976 381 HB3 ALA 48 HB3 ALA 48 4.736 8.765 8.017 382 H ALA 49 H ALA 49 3.166 10.764 5.563 383 HA ALA 49 HA ALA 49 0.699 10.311 6.823 384 HB1 ALA 49 HB1 ALA 49 1.521 12.560 6.281 385 HB2 ALA 49 HB2 ALA 49 -0.105 12.296 5.651 386 HB3 ALA 49 HB3 ALA 49 1.284 12.229 4.565 387 H GLU 50 H GLU 50 1.697 9.939 3.470 388 HA GLU 50 HA GLU 50 -0.784 9.165 2.413 389 HB2 GLU 50 HB2 GLU 50 1.951 8.288 1.499 390 HB3 GLU 50 HB3 GLU 50 0.470 8.205 0.556 391 HG2 GLU 50 HG2 GLU 50 0.394 10.770 1.039 392 HG3 GLU 50 HG3 GLU 50 2.138 10.531 1.318 393 H LYS 51 H LYS 51 1.822 7.300 3.818 394 HA LYS 51 HA LYS 51 0.593 4.776 3.319 395 HB2 LYS 51 HB2 LYS 51 2.258 3.789 4.721 396 HB3 LYS 51 HB3 LYS 51 3.034 5.052 3.788 397 HG2 LYS 51 HG2 LYS 51 2.913 6.508 5.721 398 HG3 LYS 51 HG3 LYS 51 2.159 5.211 6.640 399 HD2 LYS 51 HD2 LYS 51 4.796 4.809 5.288 400 HD3 LYS 51 HD3 LYS 51 4.684 5.583 6.874 401 HE2 LYS 51 HE2 LYS 51 5.015 3.331 7.416 402 HE3 LYS 51 HE3 LYS 51 3.266 3.518 7.520 403 HZ1 LYS 51 HZ1 LYS 51 4.735 2.400 5.191 404 HZ2 LYS 51 HZ2 LYS 51 3.058 2.516 5.333 405 HZ3 LYS 51 HZ3 LYS 51 3.923 1.493 6.357 406 H PHE 52 H PHE 52 0.424 7.102 5.946 407 HA PHE 52 HA PHE 52 -1.172 5.659 7.701 408 HB2 PHE 52 HB2 PHE 52 -0.282 7.734 8.451 409 HB3 PHE 52 HB3 PHE 52 -0.980 8.607 7.088 410 HD1 PHE 52 HD1 PHE 52 -1.991 6.644 10.093 411 HD2 PHE 52 HD2 PHE 52 -2.979 9.726 7.337 412 HE1 PHE 52 HE1 PHE 52 -3.981 7.205 11.432 413 HE2 PHE 52 HE2 PHE 52 -4.965 10.291 8.669 414 HZ PHE 52 HZ PHE 52 -5.468 9.030 10.720 415 H LYS 53 H LYS 53 -2.111 7.799 5.007 416 HA LYS 53 HA LYS 53 -4.888 7.472 5.238 417 HB2 LYS 53 HB2 LYS 53 -3.189 8.057 2.806 418 HB3 LYS 53 HB3 LYS 53 -4.942 8.174 2.832 419 HG2 LYS 53 HG2 LYS 53 -3.097 9.773 4.595 420 HG3 LYS 53 HG3 LYS 53 -3.790 10.347 3.075 421 HD2 LYS 53 HD2 LYS 53 -6.047 10.030 4.010 422 HD3 LYS 53 HD3 LYS 53 -5.328 9.502 5.534 423 HE2 LYS 53 HE2 LYS 53 -4.244 11.674 5.784 424 HE3 LYS 53 HE3 LYS 53 -4.931 12.200 4.250 425 HZ1 LYS 53 HZ1 LYS 53 -6.482 11.448 6.668 426 HZ2 LYS 53 HZ2 LYS 53 -7.138 11.963 5.201 427 HZ3 LYS 53 HZ3 LYS 53 -6.207 13.024 6.126 428 H GLU 54 H GLU 54 -2.524 5.689 3.326 429 HA GLU 54 HA GLU 54 -4.405 3.922 2.177 430 HB2 GLU 54 HB2 GLU 54 -1.432 3.666 2.587 431 HB3 GLU 54 HB3 GLU 54 -2.398 2.493 1.694 432 HG2 GLU 54 HG2 GLU 54 -3.094 4.227 0.145 433 HG3 GLU 54 HG3 GLU 54 -2.153 5.411 1.042 434 H ALA 55 H ALA 55 -2.561 3.839 5.147 435 HA ALA 55 HA ALA 55 -3.123 1.168 5.876 436 HB1 ALA 55 HB1 ALA 55 -2.455 1.841 8.127 437 HB2 ALA 55 HB2 ALA 55 -2.517 3.537 7.644 438 HB3 ALA 55 HB3 ALA 55 -1.325 2.457 6.921 439 H SER 56 H SER 56 -4.759 4.251 6.444 440 HA SER 56 HA SER 56 -6.699 3.178 8.167 441 HB2 SER 56 HB2 SER 56 -7.930 5.282 7.773 442 HB3 SER 56 HB3 SER 56 -6.239 5.571 8.157 443 HG SER 56 HG SER 56 -6.210 5.443 5.612 444 H ALA 57 H ALA 57 -6.597 3.595 4.630 445 HA ALA 57 HA ALA 57 -9.271 2.721 4.181 446 HB1 ALA 57 HB1 ALA 57 -8.550 2.374 1.858 447 HB2 ALA 57 HB2 ALA 57 -6.866 2.562 2.348 448 HB3 ALA 57 HB3 ALA 57 -7.977 3.926 2.468 449 H ALA 58 H ALA 58 -6.173 1.116 4.391 450 HA ALA 58 HA ALA 58 -6.932 -1.487 3.743 451 HB1 ALA 58 HB1 ALA 58 -4.594 -0.751 3.971 452 HB2 ALA 58 HB2 ALA 58 -4.928 -2.172 4.956 453 HB3 ALA 58 HB3 ALA 58 -4.826 -0.582 5.709 454 H TYR 59 H TYR 59 -6.774 0.232 6.811 455 HA TYR 59 HA TYR 59 -7.758 -1.748 8.480 456 HB2 TYR 59 HB2 TYR 59 -6.799 0.244 9.383 457 HB3 TYR 59 HB3 TYR 59 -8.004 1.259 8.597 458 HD1 TYR 59 HD1 TYR 59 -7.472 -1.249 11.261 459 HD2 TYR 59 HD2 TYR 59 -10.070 1.701 9.653 460 HE1 TYR 59 HE1 TYR 59 -8.843 -1.356 13.286 461 HE2 TYR 59 HE2 TYR 59 -11.450 1.605 11.675 462 HH TYR 59 HH TYR 59 -11.947 0.044 13.478 463 H GLU 60 H GLU 60 -9.437 0.569 6.458 464 HA GLU 60 HA GLU 60 -11.984 0.279 7.494 465 HB2 GLU 60 HB2 GLU 60 -11.085 0.902 4.690 466 HB3 GLU 60 HB3 GLU 60 -12.761 0.989 5.206 467 HG2 GLU 60 HG2 GLU 60 -10.469 2.598 6.294 468 HG3 GLU 60 HG3 GLU 60 -11.731 3.174 5.203 469 H ILE 61 H ILE 61 -10.332 -1.651 4.970 470 HA ILE 61 HA ILE 61 -12.728 -3.361 4.776 471 HB ILE 61 HB ILE 61 -11.407 -4.476 2.937 472 HG12 ILE 61 HG12 ILE 61 -9.649 -2.028 3.240 473 HG13 ILE 61 HG13 ILE 61 -9.175 -3.676 3.631 474 HG21 ILE 61 HG21 ILE 61 -12.091 -1.551 2.627 475 HG22 ILE 61 HG22 ILE 61 -13.206 -2.909 2.469 476 HG23 ILE 61 HG23 ILE 61 -11.900 -2.699 1.302 477 HD11 ILE 61 HD11 ILE 61 -9.409 -4.302 1.296 478 HD12 ILE 61 HD12 ILE 61 -8.283 -2.960 1.492 479 HD13 ILE 61 HD13 ILE 61 -9.919 -2.661 0.903 480 H LEU 62 H LEU 62 -9.307 -3.616 5.461 481 HA LEU 62 HA LEU 62 -9.294 -6.343 5.984 482 HB2 LEU 62 HB2 LEU 62 -7.516 -4.151 6.957 483 HB3 LEU 62 HB3 LEU 62 -7.132 -5.865 7.151 484 HG LEU 62 HG LEU 62 -7.371 -4.290 4.588 485 HD11 LEU 62 HD11 LEU 62 -5.309 -3.927 5.779 486 HD12 LEU 62 HD12 LEU 62 -5.019 -4.849 4.304 487 HD13 LEU 62 HD13 LEU 62 -5.025 -5.663 5.869 488 HD21 LEU 62 HD21 LEU 62 -8.288 -6.502 4.213 489 HD22 LEU 62 HD22 LEU 62 -6.866 -7.239 4.953 490 HD23 LEU 62 HD23 LEU 62 -6.712 -6.360 3.433 491 H SER 63 H SER 63 -9.845 -3.629 8.268 492 HA SER 63 HA SER 63 -9.825 -5.164 10.592 493 HB2 SER 63 HB2 SER 63 -9.777 -2.700 10.591 494 HB3 SER 63 HB3 SER 63 -11.449 -2.668 10.043 495 HG SER 63 HG SER 63 -11.601 -4.159 12.093 496 H ASP 64 H ASP 64 -12.057 -5.292 8.045 497 HA ASP 64 HA ASP 64 -14.051 -6.519 9.801 498 HB2 ASP 64 HB2 ASP 64 -14.387 -5.275 7.064 499 HB3 ASP 64 HB3 ASP 64 -15.614 -6.282 7.814 500 HA PRO 65 HA PRO 65 -12.018 -10.191 8.305 501 HB2 PRO 65 HB2 PRO 65 -14.577 -11.332 9.329 502 HB3 PRO 65 HB3 PRO 65 -12.909 -11.838 9.646 503 HG2 PRO 65 HG2 PRO 65 -14.242 -10.468 11.458 504 HG3 PRO 65 HG3 PRO 65 -12.533 -10.093 11.156 505 HD2 PRO 65 HD2 PRO 65 -15.001 -8.639 10.313 506 HD3 PRO 65 HD3 PRO 65 -13.438 -7.983 10.825 507 H GLU 66 H GLU 66 -15.203 -9.209 7.465 508 HA GLU 66 HA GLU 66 -15.404 -11.304 5.434 509 HB2 GLU 66 HB2 GLU 66 -17.420 -9.217 6.255 510 HB3 GLU 66 HB3 GLU 66 -17.680 -10.399 4.977 511 HG2 GLU 66 HG2 GLU 66 -17.238 -10.972 7.898 512 HG3 GLU 66 HG3 GLU 66 -18.739 -11.160 6.992 513 H LYS 67 H LYS 67 -14.700 -7.911 5.749 514 HA LYS 67 HA LYS 67 -14.922 -7.378 2.943 515 HB2 LYS 67 HB2 LYS 67 -13.865 -5.930 5.358 516 HB3 LYS 67 HB3 LYS 67 -13.843 -5.220 3.733 517 HG2 LYS 67 HG2 LYS 67 -16.322 -6.089 5.224 518 HG3 LYS 67 HG3 LYS 67 -15.700 -4.439 5.193 519 HD2 LYS 67 HD2 LYS 67 -15.943 -4.442 2.725 520 HD3 LYS 67 HD3 LYS 67 -16.662 -6.052 2.829 521 HE2 LYS 67 HE2 LYS 67 -18.460 -5.165 4.222 522 HE3 LYS 67 HE3 LYS 67 -17.737 -3.560 4.148 523 HZ1 LYS 67 HZ1 LYS 67 -18.102 -3.550 1.758 524 HZ2 LYS 67 HZ2 LYS 67 -19.555 -3.785 2.584 525 HZ3 LYS 67 HZ3 LYS 67 -18.796 -5.089 1.833 526 H ARG 68 H ARG 68 -12.733 -8.409 5.334 527 HA ARG 68 HA ARG 68 -10.280 -7.872 4.065 528 HB2 ARG 68 HB2 ARG 68 -10.892 -8.434 6.557 529 HB3 ARG 68 HB3 ARG 68 -10.714 -10.096 6.026 530 HG2 ARG 68 HG2 ARG 68 -8.475 -8.523 5.157 531 HG3 ARG 68 HG3 ARG 68 -8.705 -8.372 6.891 532 HD2 ARG 68 HD2 ARG 68 -7.213 -10.222 6.423 533 HD3 ARG 68 HD3 ARG 68 -8.723 -10.814 7.106 534 HE ARG 68 HE ARG 68 -8.845 -10.851 4.283 535 HH11 ARG 68 HH11 ARG 68 -7.289 -12.510 6.943 536 HH12 ARG 68 HH12 ARG 68 -7.232 -14.035 6.134 537 HH21 ARG 68 HH21 ARG 68 -8.773 -12.869 3.198 538 HH22 ARG 68 HH22 ARG 68 -8.077 -14.236 3.990 539 H ASP 69 H ASP 69 -12.475 -10.650 4.252 540 HA ASP 69 HA ASP 69 -10.819 -12.398 2.724 541 HB2 ASP 69 HB2 ASP 69 -12.620 -13.241 4.211 542 HB3 ASP 69 HB3 ASP 69 -13.816 -12.543 3.119 543 H ILE 70 H ILE 70 -13.398 -10.183 2.060 544 HA ILE 70 HA ILE 70 -13.788 -10.763 -0.675 545 HB ILE 70 HB ILE 70 -14.219 -8.319 1.013 546 HG12 ILE 70 HG12 ILE 70 -15.722 -10.187 1.424 547 HG13 ILE 70 HG13 ILE 70 -16.601 -8.829 0.733 548 HG21 ILE 70 HG21 ILE 70 -15.478 -7.295 -0.869 549 HG22 ILE 70 HG22 ILE 70 -14.959 -8.616 -1.916 550 HG23 ILE 70 HG23 ILE 70 -13.767 -7.499 -1.249 551 HD11 ILE 70 HD11 ILE 70 -16.569 -9.942 -1.450 552 HD12 ILE 70 HD12 ILE 70 -17.359 -10.919 -0.213 553 HD13 ILE 70 HD13 ILE 70 -15.719 -11.308 -0.729 554 H TYR 71 H TYR 71 -11.750 -8.365 1.012 555 HA TYR 71 HA TYR 71 -10.491 -7.342 -1.267 556 HB2 TYR 71 HB2 TYR 71 -10.273 -6.171 0.822 557 HB3 TYR 71 HB3 TYR 71 -9.494 -7.560 1.579 558 HD1 TYR 71 HD1 TYR 71 -9.040 -5.061 -1.152 559 HD2 TYR 71 HD2 TYR 71 -7.174 -7.775 1.536 560 HE1 TYR 71 HE1 TYR 71 -6.832 -4.232 -1.849 561 HE2 TYR 71 HE2 TYR 71 -4.971 -6.949 0.853 562 HH TYR 71 HH TYR 71 -4.092 -5.844 -1.379 563 H ASP 72 H ASP 72 -9.641 -10.029 0.813 564 HA ASP 72 HA ASP 72 -7.143 -10.711 -0.170 565 HB2 ASP 72 HB2 ASP 72 -8.011 -11.791 1.781 566 HB3 ASP 72 HB3 ASP 72 -9.364 -12.462 0.880 567 H GLN 73 H GLN 73 -10.328 -11.741 -1.407 568 HA GLN 73 HA GLN 73 -9.397 -13.542 -3.343 569 HB2 GLN 73 HB2 GLN 73 -11.859 -11.814 -3.344 570 HB3 GLN 73 HB3 GLN 73 -11.622 -13.300 -4.260 571 HG2 GLN 73 HG2 GLN 73 -11.622 -13.079 -1.280 572 HG3 GLN 73 HG3 GLN 73 -12.979 -13.579 -2.251 573 HE21 GLN 73 HE21 GLN 73 -11.530 -14.938 -0.153 574 HE22 GLN 73 HE22 GLN 73 -10.947 -16.428 -0.817 575 H PHE 74 H PHE 74 -10.352 -10.131 -3.521 576 HA PHE 74 HA PHE 74 -9.667 -9.847 -6.277 577 HB2 PHE 74 HB2 PHE 74 -10.238 -7.816 -4.124 578 HB3 PHE 74 HB3 PHE 74 -9.836 -7.357 -5.774 579 HD1 PHE 74 HD1 PHE 74 -12.387 -8.715 -3.572 580 HD2 PHE 74 HD2 PHE 74 -11.362 -7.894 -7.618 581 HE1 PHE 74 HE1 PHE 74 -14.746 -8.975 -4.218 582 HE2 PHE 74 HE2 PHE 74 -13.719 -8.152 -8.273 583 HZ PHE 74 HZ PHE 74 -15.415 -8.694 -6.571 584 H GLY 75 H GLY 75 -7.910 -9.471 -3.311 585 HA2 GLY 75 HA2 GLY 75 -5.563 -9.618 -3.156 586 HA3 GLY 75 HA3 GLY 75 -5.440 -9.188 -4.855 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 5.583 9.790 -7.543 2 H2 GLY 1 HT2 GLY 1 6.775 9.114 -8.529 3 H3 GLY 1 HT3 GLY 1 6.522 8.508 -6.976 4 HA2 GLY 1 HA3 GLY 1 4.304 7.782 -7.603 5 HA3 GLY 1 HA2 GLY 1 4.611 8.376 -9.223 6 H GLU 2 H GLU 2 6.401 6.354 -6.863 7 HA GLU 2 HA GLU 2 7.307 4.709 -9.060 8 HB2 GLU 2 HB2 GLU 2 7.863 4.494 -6.103 9 HB3 GLU 2 HB3 GLU 2 8.588 3.479 -7.341 10 HG2 GLU 2 HG2 GLU 2 9.550 5.525 -8.364 11 HG3 GLU 2 HG3 GLU 2 8.936 6.441 -6.988 12 H PHE 3 H PHE 3 6.724 2.689 -9.498 13 HA PHE 3 HA PHE 3 4.993 1.192 -7.747 14 HB2 PHE 3 HB2 PHE 3 3.188 0.938 -9.386 15 HB3 PHE 3 HB3 PHE 3 3.386 2.632 -8.958 16 HD1 PHE 3 HD1 PHE 3 3.659 0.144 -11.612 17 HD2 PHE 3 HD2 PHE 3 4.313 4.222 -10.574 18 HE1 PHE 3 HE1 PHE 3 3.881 0.711 -13.995 19 HE2 PHE 3 HE2 PHE 3 4.534 4.794 -12.957 20 HZ PHE 3 HZ PHE 3 4.319 3.038 -14.669 21 H GLY 4 H GLY 4 4.683 -0.995 -8.539 22 HA2 GLY 4 HA2 GLY 4 6.830 -1.769 -10.394 23 HA3 GLY 4 HA3 GLY 4 6.082 -2.828 -9.199 24 H SER 5 H SER 5 6.346 -2.706 -12.322 25 HA SER 5 HA SER 5 3.653 -2.623 -13.224 26 HB2 SER 5 HB2 SER 5 4.711 -3.797 -15.270 27 HB3 SER 5 HB3 SER 5 5.262 -2.169 -14.877 28 HG SER 5 HG SER 5 6.706 -4.371 -15.085 29 H MET 6 H MET 6 2.456 -3.967 -11.944 30 HA MET 6 HA MET 6 2.444 -6.754 -12.595 31 HB2 MET 6 HB2 MET 6 2.812 -7.596 -10.335 32 HB3 MET 6 HB3 MET 6 4.226 -6.697 -10.872 33 HG2 MET 6 HG2 MET 6 3.512 -4.763 -9.568 34 HG3 MET 6 HG3 MET 6 2.069 -5.630 -9.055 35 HE1 MET 6 HE1 MET 6 5.817 -6.889 -9.407 36 HE2 MET 6 HE2 MET 6 6.379 -6.642 -7.755 37 HE3 MET 6 HE3 MET 6 5.931 -5.257 -8.750 38 H VAL 7 H VAL 7 0.770 -7.829 -11.165 39 HA VAL 7 HA VAL 7 -1.578 -6.128 -11.023 40 HB VAL 7 HB VAL 7 -1.238 -9.052 -10.258 41 HG11 VAL 7 HG11 VAL 7 -3.082 -8.021 -9.037 42 HG12 VAL 7 HG12 VAL 7 -3.688 -9.152 -10.247 43 HG13 VAL 7 HG13 VAL 7 -3.759 -7.418 -10.549 44 HG21 VAL 7 HG21 VAL 7 -0.935 -8.661 -12.653 45 HG22 VAL 7 HG22 VAL 7 -2.479 -7.813 -12.715 46 HG23 VAL 7 HG23 VAL 7 -2.433 -9.534 -12.339 47 H LYS 8 H LYS 8 -1.999 -4.942 -9.243 48 HA LYS 8 HA LYS 8 -0.390 -5.291 -6.926 49 HB2 LYS 8 HB2 LYS 8 -2.769 -3.508 -7.443 50 HB3 LYS 8 HB3 LYS 8 -1.869 -3.498 -5.933 51 HG2 LYS 8 HG2 LYS 8 0.186 -2.950 -7.233 52 HG3 LYS 8 HG3 LYS 8 -0.817 -2.811 -8.673 53 HD2 LYS 8 HD2 LYS 8 -1.220 -1.189 -6.162 54 HD3 LYS 8 HD3 LYS 8 -0.295 -0.636 -7.556 55 HE2 LYS 8 HE2 LYS 8 -2.311 -0.898 -8.955 56 HE3 LYS 8 HE3 LYS 8 -3.218 -1.374 -7.519 57 HZ1 LYS 8 HZ1 LYS 8 -3.558 0.952 -8.009 58 HZ2 LYS 8 HZ2 LYS 8 -1.898 1.249 -7.959 59 HZ3 LYS 8 HZ3 LYS 8 -2.717 0.800 -6.551 60 H GLU 9 H GLU 9 -0.604 -7.010 -5.777 61 HA GLU 9 HA GLU 9 -3.230 -7.759 -4.720 62 HB2 GLU 9 HB2 GLU 9 -2.609 -9.224 -6.594 63 HB3 GLU 9 HB3 GLU 9 -1.066 -9.555 -5.827 64 HG2 GLU 9 HG2 GLU 9 -2.274 -10.611 -3.955 65 HG3 GLU 9 HG3 GLU 9 -3.785 -10.354 -4.832 66 H THR 10 H THR 10 -3.171 -8.315 -2.549 67 HA THR 10 HA THR 10 -2.430 -8.681 -0.471 68 HB THR 10 HB THR 10 0.279 -9.361 -1.627 69 HG1 THR 10 HG1 THR 10 -2.159 -10.585 -1.991 70 HG21 THR 10 HG21 THR 10 0.214 -9.265 0.767 71 HG22 THR 10 HG22 THR 10 0.239 -10.969 0.282 72 HG23 THR 10 HG23 THR 10 -1.274 -10.203 0.787 73 H LYS 11 H LYS 11 -1.641 -6.256 -2.237 74 HA LYS 11 HA LYS 11 0.620 -4.983 -1.159 75 HB2 LYS 11 HB2 LYS 11 -1.872 -3.746 -2.297 76 HB3 LYS 11 HB3 LYS 11 -0.371 -2.884 -1.980 77 HG2 LYS 11 HG2 LYS 11 -0.693 -5.195 -3.868 78 HG3 LYS 11 HG3 LYS 11 -0.648 -3.488 -4.297 79 HD2 LYS 11 HD2 LYS 11 1.622 -3.311 -3.390 80 HD3 LYS 11 HD3 LYS 11 1.571 -5.009 -2.921 81 HE2 LYS 11 HE2 LYS 11 1.317 -5.628 -5.296 82 HE3 LYS 11 HE3 LYS 11 1.439 -3.924 -5.734 83 HZ1 LYS 11 HZ1 LYS 11 3.668 -3.876 -4.816 84 HZ2 LYS 11 HZ2 LYS 11 3.561 -5.094 -5.981 85 HZ3 LYS 11 HZ3 LYS 11 3.540 -5.491 -4.341 86 H PHE 12 H PHE 12 -2.697 -4.972 -0.175 87 HA PHE 12 HA PHE 12 -2.310 -2.941 1.786 88 HB2 PHE 12 HB2 PHE 12 -4.596 -4.774 1.185 89 HB3 PHE 12 HB3 PHE 12 -4.584 -3.805 2.663 90 HD1 PHE 12 HD1 PHE 12 -5.918 -3.831 -0.465 91 HD2 PHE 12 HD2 PHE 12 -3.621 -1.289 2.045 92 HE1 PHE 12 HE1 PHE 12 -6.735 -1.861 -1.702 93 HE2 PHE 12 HE2 PHE 12 -4.432 0.672 0.833 94 HZ PHE 12 HZ PHE 12 -5.988 0.402 -1.028 95 H TYR 13 H TYR 13 -2.147 -6.437 1.845 96 HA TYR 13 HA TYR 13 -1.982 -6.613 4.713 97 HB2 TYR 13 HB2 TYR 13 -1.066 -8.557 2.571 98 HB3 TYR 13 HB3 TYR 13 -1.033 -8.897 4.297 99 HD1 TYR 13 HD1 TYR 13 -2.986 -8.966 1.309 100 HD2 TYR 13 HD2 TYR 13 -3.263 -8.912 5.543 101 HE1 TYR 13 HE1 TYR 13 -5.278 -9.835 1.163 102 HE2 TYR 13 HE2 TYR 13 -5.554 -9.778 5.413 103 HH TYR 13 HH TYR 13 -6.880 -11.033 2.538 104 H ASP 14 H ASP 14 0.310 -6.596 2.048 105 HA ASP 14 HA ASP 14 2.711 -6.659 3.453 106 HB2 ASP 14 HB2 ASP 14 1.987 -5.356 0.847 107 HB3 ASP 14 HB3 ASP 14 3.629 -5.358 1.463 108 H ILE 15 H ILE 15 0.781 -3.879 2.537 109 HA ILE 15 HA ILE 15 2.561 -1.926 3.471 110 HB ILE 15 HB ILE 15 -0.384 -1.906 2.952 111 HG12 ILE 15 HG12 ILE 15 1.880 -0.476 1.551 112 HG13 ILE 15 HG13 ILE 15 1.235 -2.065 1.075 113 HG21 ILE 15 HG21 ILE 15 -0.377 0.548 3.236 114 HG22 ILE 15 HG22 ILE 15 1.298 0.481 3.780 115 HG23 ILE 15 HG23 ILE 15 0.026 -0.263 4.749 116 HD11 ILE 15 HD11 ILE 15 -0.263 0.549 1.100 117 HD12 ILE 15 HD12 ILE 15 -0.945 -1.016 0.666 118 HD13 ILE 15 HD13 ILE 15 0.334 -0.306 -0.320 119 H LEU 16 H LEU 16 -0.303 -3.298 5.120 120 HA LEU 16 HA LEU 16 0.301 -2.019 7.565 121 HB2 LEU 16 HB2 LEU 16 -1.379 -4.451 7.024 122 HB3 LEU 16 HB3 LEU 16 -1.227 -3.733 8.613 123 HG LEU 16 HG LEU 16 -2.437 -2.423 6.168 124 HD11 LEU 16 HD11 LEU 16 -3.698 -3.360 8.732 125 HD12 LEU 16 HD12 LEU 16 -3.793 -4.193 7.183 126 HD13 LEU 16 HD13 LEU 16 -4.518 -2.595 7.370 127 HD21 LEU 16 HD21 LEU 16 -2.101 -1.394 8.987 128 HD22 LEU 16 HD22 LEU 16 -3.064 -0.622 7.728 129 HD23 LEU 16 HD23 LEU 16 -1.316 -0.758 7.539 130 H GLY 17 H GLY 17 1.514 -4.978 6.187 131 HA2 GLY 17 HA2 GLY 17 3.508 -6.014 6.918 132 HA3 GLY 17 HA3 GLY 17 3.321 -5.223 8.479 133 H VAL 18 H VAL 18 0.548 -6.568 7.248 134 HA VAL 18 HA VAL 18 0.626 -8.712 9.261 135 HB VAL 18 HB VAL 18 -1.830 -8.893 8.899 136 HG11 VAL 18 HG11 VAL 18 -0.850 -6.139 9.584 137 HG12 VAL 18 HG12 VAL 18 -0.936 -7.516 10.684 138 HG13 VAL 18 HG13 VAL 18 -2.415 -6.819 10.022 139 HG21 VAL 18 HG21 VAL 18 -1.468 -6.447 7.175 140 HG22 VAL 18 HG22 VAL 18 -3.005 -7.183 7.632 141 HG23 VAL 18 HG23 VAL 18 -1.879 -8.056 6.590 142 HA PRO 19 HA PRO 19 0.823 -11.893 6.147 143 HB2 PRO 19 HB2 PRO 19 -0.683 -13.839 7.297 144 HB3 PRO 19 HB3 PRO 19 0.947 -13.446 7.877 145 HG2 PRO 19 HG2 PRO 19 -1.712 -12.550 8.924 146 HG3 PRO 19 HG3 PRO 19 -0.314 -13.173 9.827 147 HD2 PRO 19 HD2 PRO 19 -0.830 -10.537 9.660 148 HD3 PRO 19 HD3 PRO 19 0.838 -11.143 9.650 149 H VAL 20 H VAL 20 -0.617 -13.040 4.600 150 HA VAL 20 HA VAL 20 -2.856 -11.501 3.873 151 HB VAL 20 HB VAL 20 -2.199 -14.354 3.087 152 HG11 VAL 20 HG11 VAL 20 -4.455 -13.743 2.493 153 HG12 VAL 20 HG12 VAL 20 -3.457 -13.826 1.040 154 HG13 VAL 20 HG13 VAL 20 -3.883 -12.262 1.728 155 HG21 VAL 20 HG21 VAL 20 -0.293 -12.969 2.643 156 HG22 VAL 20 HG22 VAL 20 -1.309 -11.754 1.876 157 HG23 VAL 20 HG23 VAL 20 -1.102 -13.332 1.118 158 H THR 21 H THR 21 -2.286 -14.224 5.889 159 HA THR 21 HA THR 21 -5.073 -14.992 6.217 160 HB THR 21 HB THR 21 -2.735 -16.060 7.793 161 HG1 THR 21 HG1 THR 21 -2.767 -17.662 5.910 162 HG21 THR 21 HG21 THR 21 -4.045 -18.140 7.735 163 HG22 THR 21 HG22 THR 21 -5.265 -17.354 6.733 164 HG23 THR 21 HG23 THR 21 -5.011 -16.819 8.394 165 H ALA 22 H ALA 22 -3.812 -12.349 7.156 166 HA ALA 22 HA ALA 22 -3.486 -12.305 9.931 167 HB1 ALA 22 HB1 ALA 22 -2.760 -10.535 8.378 168 HB2 ALA 22 HB2 ALA 22 -3.634 -9.931 9.788 169 HB3 ALA 22 HB3 ALA 22 -4.443 -10.029 8.223 170 H THR 23 H THR 23 -4.720 -11.662 11.582 171 HA THR 23 HA THR 23 -7.609 -12.004 11.272 172 HB THR 23 HB THR 23 -7.588 -12.174 13.767 173 HG1 THR 23 HG1 THR 23 -4.744 -12.137 13.431 174 HG21 THR 23 HG21 THR 23 -5.681 -14.052 12.367 175 HG22 THR 23 HG22 THR 23 -7.437 -14.207 12.400 176 HG23 THR 23 HG23 THR 23 -6.508 -14.374 13.890 177 H ASP 24 H ASP 24 -8.933 -10.504 12.751 178 HA ASP 24 HA ASP 24 -8.630 -7.859 11.990 179 HB2 ASP 24 HB2 ASP 24 -10.073 -8.989 14.395 180 HB3 ASP 24 HB3 ASP 24 -10.216 -7.327 13.832 181 H VAL 25 H VAL 25 -7.507 -9.507 14.910 182 HA VAL 25 HA VAL 25 -6.811 -7.211 16.374 183 HB VAL 25 HB VAL 25 -5.778 -10.045 16.511 184 HG11 VAL 25 HG11 VAL 25 -5.367 -7.793 18.476 185 HG12 VAL 25 HG12 VAL 25 -4.124 -8.541 17.473 186 HG13 VAL 25 HG13 VAL 25 -4.919 -9.478 18.739 187 HG21 VAL 25 HG21 VAL 25 -7.254 -10.227 18.455 188 HG22 VAL 25 HG22 VAL 25 -8.153 -9.812 16.995 189 HG23 VAL 25 HG23 VAL 25 -7.799 -8.570 18.196 190 H GLU 26 H GLU 26 -4.974 -9.282 14.171 191 HA GLU 26 HA GLU 26 -2.437 -8.028 14.518 192 HB2 GLU 26 HB2 GLU 26 -3.615 -9.669 12.274 193 HB3 GLU 26 HB3 GLU 26 -1.930 -9.153 12.323 194 HG2 GLU 26 HG2 GLU 26 -1.521 -10.440 14.282 195 HG3 GLU 26 HG3 GLU 26 -3.236 -10.809 14.462 196 H ILE 27 H ILE 27 -5.134 -7.618 12.385 197 HA ILE 27 HA ILE 27 -4.050 -5.704 10.656 198 HB ILE 27 HB ILE 27 -6.877 -6.442 11.419 199 HG12 ILE 27 HG12 ILE 27 -5.360 -6.849 8.834 200 HG13 ILE 27 HG13 ILE 27 -5.393 -8.027 10.141 201 HG21 ILE 27 HG21 ILE 27 -7.638 -5.091 9.499 202 HG22 ILE 27 HG22 ILE 27 -5.995 -4.489 9.272 203 HG23 ILE 27 HG23 ILE 27 -6.888 -4.084 10.738 204 HD11 ILE 27 HD11 ILE 27 -7.766 -8.297 9.888 205 HD12 ILE 27 HD12 ILE 27 -6.978 -8.525 8.327 206 HD13 ILE 27 HD13 ILE 27 -7.821 -7.017 8.681 207 H LYS 28 H LYS 28 -5.913 -5.376 13.669 208 HA LYS 28 HA LYS 28 -6.169 -2.562 13.592 209 HB2 LYS 28 HB2 LYS 28 -6.108 -4.396 16.009 210 HB3 LYS 28 HB3 LYS 28 -6.697 -2.744 15.998 211 HG2 LYS 28 HG2 LYS 28 -7.907 -5.067 14.511 212 HG3 LYS 28 HG3 LYS 28 -8.524 -4.345 15.994 213 HD2 LYS 28 HD2 LYS 28 -8.929 -2.256 14.829 214 HD3 LYS 28 HD3 LYS 28 -8.229 -2.930 13.354 215 HE2 LYS 28 HE2 LYS 28 -10.643 -3.008 13.225 216 HE3 LYS 28 HE3 LYS 28 -9.988 -4.640 13.313 217 HZ1 LYS 28 HZ1 LYS 28 -11.139 -3.137 15.598 218 HZ2 LYS 28 HZ2 LYS 28 -10.587 -4.736 15.637 219 HZ3 LYS 28 HZ3 LYS 28 -11.940 -4.329 14.711 220 H LYS 29 H LYS 29 -3.798 -4.705 15.088 221 HA LYS 29 HA LYS 29 -2.359 -2.571 16.303 222 HB2 LYS 29 HB2 LYS 29 -0.642 -4.249 16.870 223 HB3 LYS 29 HB3 LYS 29 -2.258 -4.745 17.338 224 HG2 LYS 29 HG2 LYS 29 -2.369 -6.146 15.314 225 HG3 LYS 29 HG3 LYS 29 -0.692 -5.729 14.962 226 HD2 LYS 29 HD2 LYS 29 -1.694 -7.138 17.444 227 HD3 LYS 29 HD3 LYS 29 -0.858 -7.901 16.095 228 HE2 LYS 29 HE2 LYS 29 0.293 -5.768 17.900 229 HE3 LYS 29 HE3 LYS 29 0.633 -7.492 18.005 230 HZ1 LYS 29 HZ1 LYS 29 1.291 -5.709 15.727 231 HZ2 LYS 29 HZ2 LYS 29 1.557 -7.378 15.751 232 HZ3 LYS 29 HZ3 LYS 29 2.388 -6.378 16.827 233 H ALA 30 H ALA 30 -1.904 -4.351 13.302 234 HA ALA 30 HA ALA 30 0.465 -3.131 12.538 235 HB1 ALA 30 HB1 ALA 30 -0.113 -3.778 10.291 236 HB2 ALA 30 HB2 ALA 30 -1.790 -4.040 10.771 237 HB3 ALA 30 HB3 ALA 30 -0.515 -5.076 11.414 238 H TYR 31 H TYR 31 -2.917 -2.176 12.161 239 HA TYR 31 HA TYR 31 -2.424 0.127 10.639 240 HB2 TYR 31 HB2 TYR 31 -4.651 -0.738 10.723 241 HB3 TYR 31 HB3 TYR 31 -4.697 -0.621 12.483 242 HD1 TYR 31 HD1 TYR 31 -4.375 1.484 9.414 243 HD2 TYR 31 HD2 TYR 31 -5.606 1.283 13.481 244 HE1 TYR 31 HE1 TYR 31 -5.352 3.734 9.228 245 HE2 TYR 31 HE2 TYR 31 -6.584 3.528 13.304 246 HH TYR 31 HH TYR 31 -7.092 5.073 10.336 247 H ARG 32 H ARG 32 -2.823 -0.390 14.124 248 HA ARG 32 HA ARG 32 -2.490 2.313 14.786 249 HB2 ARG 32 HB2 ARG 32 -2.261 1.665 17.086 250 HB3 ARG 32 HB3 ARG 32 -3.469 0.633 16.345 251 HG2 ARG 32 HG2 ARG 32 -2.334 -0.944 17.494 252 HG3 ARG 32 HG3 ARG 32 -1.345 -0.939 16.031 253 HD2 ARG 32 HD2 ARG 32 0.141 -0.876 17.890 254 HD3 ARG 32 HD3 ARG 32 0.148 0.730 17.163 255 HE ARG 32 HE ARG 32 -1.779 0.682 19.186 256 HH11 ARG 32 HH11 ARG 32 1.716 0.574 18.838 257 HH12 ARG 32 HH12 ARG 32 2.013 1.232 20.409 258 HH21 ARG 32 HH21 ARG 32 -1.384 1.559 21.246 259 HH22 ARG 32 HH22 ARG 32 0.247 1.795 21.780 260 H LYS 33 H LYS 33 -0.093 -0.267 14.362 261 HA LYS 33 HA LYS 33 2.049 1.431 15.277 262 HB2 LYS 33 HB2 LYS 33 3.594 -0.223 14.588 263 HB3 LYS 33 HB3 LYS 33 2.200 -1.120 15.160 264 HG2 LYS 33 HG2 LYS 33 1.493 -1.468 12.832 265 HG3 LYS 33 HG3 LYS 33 2.915 -0.560 12.301 266 HD2 LYS 33 HD2 LYS 33 4.374 -2.219 13.346 267 HD3 LYS 33 HD3 LYS 33 2.965 -3.135 13.880 268 HE2 LYS 33 HE2 LYS 33 2.311 -3.491 11.544 269 HE3 LYS 33 HE3 LYS 33 3.709 -2.562 11.009 270 HZ1 LYS 33 HZ1 LYS 33 5.146 -4.223 12.037 271 HZ2 LYS 33 HZ2 LYS 33 4.139 -4.932 10.881 272 HZ3 LYS 33 HZ3 LYS 33 3.798 -5.115 12.522 273 H CYS 34 H CYS 34 0.772 0.620 12.079 274 HA CYS 34 HA CYS 34 2.726 2.111 10.690 275 HB2 CYS 34 HB2 CYS 34 -0.091 1.346 9.933 276 HB3 CYS 34 HB3 CYS 34 1.010 2.175 8.832 277 HG CYS 34 HG CYS 34 0.940 -1.033 9.794 278 H ALA 35 H ALA 35 -0.478 3.063 11.885 279 HA ALA 35 HA ALA 35 -0.361 5.705 10.879 280 HB1 ALA 35 HB1 ALA 35 -2.219 6.153 12.417 281 HB2 ALA 35 HB2 ALA 35 -1.946 4.596 13.200 282 HB3 ALA 35 HB3 ALA 35 -2.465 4.658 11.516 283 H LEU 36 H LEU 36 0.311 4.393 14.106 284 HA LEU 36 HA LEU 36 1.016 6.881 15.243 285 HB2 LEU 36 HB2 LEU 36 1.723 4.092 16.101 286 HB3 LEU 36 HB3 LEU 36 2.177 5.519 17.010 287 HG LEU 36 HG LEU 36 -0.663 4.714 16.387 288 HD11 LEU 36 HD11 LEU 36 0.914 4.443 18.937 289 HD12 LEU 36 HD12 LEU 36 0.383 3.124 17.893 290 HD13 LEU 36 HD13 LEU 36 -0.807 4.107 18.747 291 HD21 LEU 36 HD21 LEU 36 0.463 6.868 18.176 292 HD22 LEU 36 HD22 LEU 36 -1.237 6.411 18.075 293 HD23 LEU 36 HD23 LEU 36 -0.430 7.113 16.674 294 H LYS 37 H LYS 37 2.968 4.440 13.673 295 HA LYS 37 HA LYS 37 5.459 5.619 14.249 296 HB2 LYS 37 HB2 LYS 37 4.565 3.727 12.079 297 HB3 LYS 37 HB3 LYS 37 6.240 4.251 12.259 298 HG2 LYS 37 HG2 LYS 37 6.414 3.184 14.393 299 HG3 LYS 37 HG3 LYS 37 4.677 2.884 14.446 300 HD2 LYS 37 HD2 LYS 37 5.829 0.845 13.885 301 HD3 LYS 37 HD3 LYS 37 4.914 1.402 12.489 302 HE2 LYS 37 HE2 LYS 37 6.951 2.352 11.516 303 HE3 LYS 37 HE3 LYS 37 7.873 1.835 12.925 304 HZ1 LYS 37 HZ1 LYS 37 6.525 0.076 10.946 305 HZ2 LYS 37 HZ2 LYS 37 7.284 -0.472 12.353 306 HZ3 LYS 37 HZ3 LYS 37 8.191 0.280 11.148 307 H TYR 38 H TYR 38 3.227 6.064 11.478 308 HA TYR 38 HA TYR 38 5.057 8.166 10.451 309 HB2 TYR 38 HB2 TYR 38 3.138 6.362 8.985 310 HB3 TYR 38 HB3 TYR 38 4.202 7.534 8.215 311 HD1 TYR 38 HD1 TYR 38 3.861 4.200 9.431 312 HD2 TYR 38 HD2 TYR 38 6.748 7.219 8.639 313 HE1 TYR 38 HE1 TYR 38 5.632 2.499 9.463 314 HE2 TYR 38 HE2 TYR 38 8.533 5.521 8.656 315 HH TYR 38 HH TYR 38 7.966 2.258 8.449 316 H HIS 39 H HIS 39 2.459 8.334 12.222 317 HA HIS 39 HA HIS 39 0.551 9.761 10.724 318 HB2 HIS 39 HB2 HIS 39 -0.293 10.601 12.894 319 HB3 HIS 39 HB3 HIS 39 0.006 8.869 12.922 320 HD2 HIS 39 HD2 HIS 39 3.396 9.722 13.467 321 HE1 HIS 39 HE1 HIS 39 1.743 10.566 17.263 322 HE2 HIS 39 HE2 HIS 39 3.767 9.797 16.006 323 HA PRO 40 HA PRO 40 2.326 13.776 9.844 324 HB2 PRO 40 HB2 PRO 40 -0.460 14.695 10.406 325 HB3 PRO 40 HB3 PRO 40 0.569 15.011 9.000 326 HG2 PRO 40 HG2 PRO 40 -1.401 13.271 8.799 327 HG3 PRO 40 HG3 PRO 40 0.180 12.899 8.083 328 HD2 PRO 40 HD2 PRO 40 -1.036 11.879 10.621 329 HD3 PRO 40 HD3 PRO 40 -0.092 11.014 9.390 330 H ASP 41 H ASP 41 0.476 13.165 12.742 331 HA ASP 41 HA ASP 41 0.736 15.588 14.105 332 HB2 ASP 41 HB2 ASP 41 -0.701 13.784 14.913 333 HB3 ASP 41 HB3 ASP 41 0.711 12.793 15.262 334 H LYS 42 H LYS 42 3.123 13.131 13.541 335 HA LYS 42 HA LYS 42 5.019 14.646 15.147 336 HB2 LYS 42 HB2 LYS 42 4.627 11.667 15.324 337 HB3 LYS 42 HB3 LYS 42 6.053 12.484 15.940 338 HG2 LYS 42 HG2 LYS 42 4.638 13.802 17.436 339 HG3 LYS 42 HG3 LYS 42 3.222 12.943 16.833 340 HD2 LYS 42 HD2 LYS 42 4.162 10.835 17.622 341 HD3 LYS 42 HD3 LYS 42 5.580 11.692 18.232 342 HE2 LYS 42 HE2 LYS 42 4.158 12.965 19.750 343 HE3 LYS 42 HE3 LYS 42 2.736 12.127 19.132 344 HZ1 LYS 42 HZ1 LYS 42 5.013 10.884 20.568 345 HZ2 LYS 42 HZ2 LYS 42 3.689 10.045 19.937 346 HZ3 LYS 42 HZ3 LYS 42 3.468 11.150 21.196 347 H ASN 43 H ASN 43 4.249 12.819 12.381 348 HA ASN 43 HA ASN 43 6.999 12.990 11.416 349 HB2 ASN 43 HB2 ASN 43 4.692 11.294 10.491 350 HB3 ASN 43 HB3 ASN 43 6.254 11.352 9.698 351 HD21 ASN 43 HD21 ASN 43 4.483 10.275 12.385 352 HD22 ASN 43 HD22 ASN 43 5.696 9.238 13.061 353 HA PRO 44 HA PRO 44 5.116 16.398 9.152 354 HB2 PRO 44 HB2 PRO 44 7.415 17.610 8.471 355 HB3 PRO 44 HB3 PRO 44 6.766 17.697 10.114 356 HG2 PRO 44 HG2 PRO 44 8.912 15.915 9.021 357 HG3 PRO 44 HG3 PRO 44 8.896 16.839 10.534 358 HD2 PRO 44 HD2 PRO 44 8.327 14.183 10.406 359 HD3 PRO 44 HD3 PRO 44 7.604 15.278 11.625 360 H SER 45 H SER 45 7.104 13.851 8.040 361 HA SER 45 HA SER 45 7.540 14.721 5.406 362 HB2 SER 45 HB2 SER 45 7.794 12.130 5.142 363 HB3 SER 45 HB3 SER 45 9.009 13.081 5.996 364 HG SER 45 HG SER 45 8.536 11.435 7.353 365 H GLU 46 H GLU 46 6.441 14.548 3.649 366 HA GLU 46 HA GLU 46 3.693 14.113 3.705 367 HB2 GLU 46 HB2 GLU 46 4.751 15.513 2.012 368 HB3 GLU 46 HB3 GLU 46 5.590 14.114 1.360 369 HG2 GLU 46 HG2 GLU 46 3.482 13.109 0.773 370 HG3 GLU 46 HG3 GLU 46 2.617 14.504 1.413 371 H GLU 47 H GLU 47 6.415 12.080 2.810 372 HA GLU 47 HA GLU 47 5.074 9.919 1.689 373 HB2 GLU 47 HB2 GLU 47 7.565 10.057 3.349 374 HB3 GLU 47 HB3 GLU 47 7.058 8.625 2.463 375 HG2 GLU 47 HG2 GLU 47 7.224 9.878 0.370 376 HG3 GLU 47 HG3 GLU 47 7.776 11.291 1.271 377 H ALA 48 H ALA 48 5.877 10.686 5.022 378 HA ALA 48 HA ALA 48 4.996 8.283 6.177 379 HB1 ALA 48 HB1 ALA 48 4.922 9.518 8.293 380 HB2 ALA 48 HB2 ALA 48 5.063 11.034 7.402 381 HB3 ALA 48 HB3 ALA 48 6.394 9.877 7.392 382 H ALA 49 H ALA 49 3.469 11.253 5.499 383 HA ALA 49 HA ALA 49 0.913 10.668 6.573 384 HB1 ALA 49 HB1 ALA 49 1.606 12.962 6.049 385 HB2 ALA 49 HB2 ALA 49 0.096 12.549 5.236 386 HB3 ALA 49 HB3 ALA 49 1.610 12.569 4.330 387 H GLU 50 H GLU 50 2.372 10.212 3.416 388 HA GLU 50 HA GLU 50 0.113 9.305 2.004 389 HB2 GLU 50 HB2 GLU 50 3.016 8.532 1.622 390 HB3 GLU 50 HB3 GLU 50 1.733 8.336 0.436 391 HG2 GLU 50 HG2 GLU 50 1.450 10.832 0.521 392 HG3 GLU 50 HG3 GLU 50 2.941 10.863 1.479 393 H LYS 51 H LYS 51 2.598 7.668 3.864 394 HA LYS 51 HA LYS 51 1.775 5.022 3.445 395 HB2 LYS 51 HB2 LYS 51 3.202 6.345 5.743 396 HB3 LYS 51 HB3 LYS 51 2.948 4.605 5.644 397 HG2 LYS 51 HG2 LYS 51 4.263 4.461 3.654 398 HG3 LYS 51 HG3 LYS 51 4.379 6.220 3.550 399 HD2 LYS 51 HD2 LYS 51 6.432 5.263 4.440 400 HD3 LYS 51 HD3 LYS 51 5.618 6.261 5.653 401 HE2 LYS 51 HE2 LYS 51 6.465 4.192 6.612 402 HE3 LYS 51 HE3 LYS 51 4.712 4.256 6.724 403 HZ1 LYS 51 HZ1 LYS 51 6.326 2.725 4.737 404 HZ2 LYS 51 HZ2 LYS 51 4.644 2.825 4.707 405 HZ3 LYS 51 HZ3 LYS 51 5.417 2.078 6.004 406 H PHE 52 H PHE 52 0.902 7.371 5.884 407 HA PHE 52 HA PHE 52 -0.903 5.835 7.310 408 HB2 PHE 52 HB2 PHE 52 -0.160 8.013 8.103 409 HB3 PHE 52 HB3 PHE 52 -0.978 8.808 6.762 410 HD1 PHE 52 HD1 PHE 52 -1.591 6.761 9.784 411 HD2 PHE 52 HD2 PHE 52 -3.224 9.447 6.928 412 HE1 PHE 52 HE1 PHE 52 -3.641 6.944 11.133 413 HE2 PHE 52 HE2 PHE 52 -5.276 9.635 8.274 414 HZ PHE 52 HZ PHE 52 -5.485 8.383 10.375 415 H LYS 53 H LYS 53 -1.389 7.740 4.337 416 HA LYS 53 HA LYS 53 -4.170 7.423 4.074 417 HB2 LYS 53 HB2 LYS 53 -2.014 7.693 1.966 418 HB3 LYS 53 HB3 LYS 53 -3.733 7.777 1.620 419 HG2 LYS 53 HG2 LYS 53 -2.299 9.645 3.493 420 HG3 LYS 53 HG3 LYS 53 -2.586 9.980 1.781 421 HD2 LYS 53 HD2 LYS 53 -5.010 9.761 2.182 422 HD3 LYS 53 HD3 LYS 53 -4.686 9.507 3.898 423 HE2 LYS 53 HE2 LYS 53 -3.652 11.719 4.027 424 HE3 LYS 53 HE3 LYS 53 -3.961 11.968 2.310 425 HZ1 LYS 53 HZ1 LYS 53 -6.308 11.903 2.720 426 HZ2 LYS 53 HZ2 LYS 53 -5.619 13.028 3.774 427 HZ3 LYS 53 HZ3 LYS 53 -6.072 11.508 4.341 428 H GLU 54 H GLU 54 -1.488 5.446 2.849 429 HA GLU 54 HA GLU 54 -3.113 3.476 1.657 430 HB2 GLU 54 HB2 GLU 54 -0.256 3.637 2.479 431 HB3 GLU 54 HB3 GLU 54 -0.935 2.086 2.019 432 HG2 GLU 54 HG2 GLU 54 0.212 3.211 0.203 433 HG3 GLU 54 HG3 GLU 54 -1.489 2.917 -0.167 434 H ALA 55 H ALA 55 -1.721 3.764 4.878 435 HA ALA 55 HA ALA 55 -2.325 1.148 5.759 436 HB1 ALA 55 HB1 ALA 55 -1.995 3.660 7.400 437 HB2 ALA 55 HB2 ALA 55 -0.691 2.591 6.886 438 HB3 ALA 55 HB3 ALA 55 -1.923 2.004 8.004 439 H SER 56 H SER 56 -4.082 4.189 5.848 440 HA SER 56 HA SER 56 -6.181 3.238 7.456 441 HB2 SER 56 HB2 SER 56 -7.360 5.293 6.708 442 HB3 SER 56 HB3 SER 56 -5.746 5.603 7.338 443 HG SER 56 HG SER 56 -5.025 6.015 5.343 444 H ALA 57 H ALA 57 -5.733 3.372 3.921 445 HA ALA 57 HA ALA 57 -8.366 2.505 3.271 446 HB1 ALA 57 HB1 ALA 57 -6.866 3.516 1.609 447 HB2 ALA 57 HB2 ALA 57 -7.425 1.932 1.076 448 HB3 ALA 57 HB3 ALA 57 -5.797 2.121 1.723 449 H ALA 58 H ALA 58 -5.386 0.839 3.918 450 HA ALA 58 HA ALA 58 -6.171 -1.794 3.400 451 HB1 ALA 58 HB1 ALA 58 -3.824 -0.995 3.857 452 HB2 ALA 58 HB2 ALA 58 -4.285 -2.465 4.708 453 HB3 ALA 58 HB3 ALA 58 -4.257 -0.924 5.562 454 H TYR 59 H TYR 59 -6.265 0.179 6.320 455 HA TYR 59 HA TYR 59 -7.448 -1.686 8.028 456 HB2 TYR 59 HB2 TYR 59 -6.390 0.335 8.820 457 HB3 TYR 59 HB3 TYR 59 -7.590 1.337 8.011 458 HD1 TYR 59 HD1 TYR 59 -6.989 -1.026 10.781 459 HD2 TYR 59 HD2 TYR 59 -9.681 1.799 9.092 460 HE1 TYR 59 HE1 TYR 59 -8.268 -1.002 12.874 461 HE2 TYR 59 HE2 TYR 59 -10.971 1.825 11.185 462 HH TYR 59 HH TYR 59 -9.815 0.734 14.041 463 H GLU 60 H GLU 60 -8.818 0.600 5.741 464 HA GLU 60 HA GLU 60 -11.450 0.507 6.580 465 HB2 GLU 60 HB2 GLU 60 -10.328 0.902 3.814 466 HB3 GLU 60 HB3 GLU 60 -12.022 1.135 4.219 467 HG2 GLU 60 HG2 GLU 60 -9.676 2.658 5.312 468 HG3 GLU 60 HG3 GLU 60 -10.885 3.247 4.172 469 H ILE 61 H ILE 61 -9.722 -1.647 4.348 470 HA ILE 61 HA ILE 61 -12.186 -3.224 4.037 471 HB ILE 61 HB ILE 61 -10.851 -4.609 2.453 472 HG12 ILE 61 HG12 ILE 61 -8.792 -2.412 2.723 473 HG13 ILE 61 HG13 ILE 61 -8.618 -4.039 3.369 474 HG21 ILE 61 HG21 ILE 61 -12.333 -2.862 1.653 475 HG22 ILE 61 HG22 ILE 61 -10.889 -2.939 0.643 476 HG23 ILE 61 HG23 ILE 61 -11.055 -1.662 1.847 477 HD11 ILE 61 HD11 ILE 61 -8.893 -3.313 0.468 478 HD12 ILE 61 HD12 ILE 61 -8.719 -4.945 1.112 479 HD13 ILE 61 HD13 ILE 61 -7.406 -3.782 1.293 480 H LEU 62 H LEU 62 -8.891 -3.674 5.136 481 HA LEU 62 HA LEU 62 -9.195 -6.340 5.877 482 HB2 LEU 62 HB2 LEU 62 -7.298 -4.219 6.739 483 HB3 LEU 62 HB3 LEU 62 -7.102 -5.918 7.201 484 HG LEU 62 HG LEU 62 -7.106 -4.785 4.409 485 HD11 LEU 62 HD11 LEU 62 -5.073 -4.247 5.588 486 HD12 LEU 62 HD12 LEU 62 -4.749 -5.477 4.366 487 HD13 LEU 62 HD13 LEU 62 -4.869 -5.932 6.066 488 HD21 LEU 62 HD21 LEU 62 -6.424 -7.060 3.718 489 HD22 LEU 62 HD22 LEU 62 -8.064 -6.976 4.354 490 HD23 LEU 62 HD23 LEU 62 -6.762 -7.620 5.356 491 H SER 63 H SER 63 -9.700 -3.403 7.838 492 HA SER 63 HA SER 63 -10.010 -4.714 10.317 493 HB2 SER 63 HB2 SER 63 -9.664 -2.266 10.066 494 HB3 SER 63 HB3 SER 63 -11.280 -2.127 9.382 495 HG SER 63 HG SER 63 -12.162 -2.657 11.318 496 H ASP 64 H ASP 64 -11.912 -4.950 7.586 497 HA ASP 64 HA ASP 64 -14.200 -5.784 9.207 498 HB2 ASP 64 HB2 ASP 64 -14.267 -4.415 6.513 499 HB3 ASP 64 HB3 ASP 64 -15.650 -5.260 7.201 500 HA PRO 65 HA PRO 65 -12.570 -9.659 7.775 501 HB2 PRO 65 HB2 PRO 65 -15.269 -10.409 8.811 502 HB3 PRO 65 HB3 PRO 65 -13.699 -11.179 9.094 503 HG2 PRO 65 HG2 PRO 65 -14.766 -9.629 10.922 504 HG3 PRO 65 HG3 PRO 65 -13.016 -9.524 10.600 505 HD2 PRO 65 HD2 PRO 65 -15.242 -7.684 9.836 506 HD3 PRO 65 HD3 PRO 65 -13.567 -7.298 10.259 507 H GLU 66 H GLU 66 -15.741 -8.448 6.980 508 HA GLU 66 HA GLU 66 -16.206 -10.464 4.960 509 HB2 GLU 66 HB2 GLU 66 -17.659 -7.900 5.602 510 HB3 GLU 66 HB3 GLU 66 -18.104 -8.926 4.243 511 HG2 GLU 66 HG2 GLU 66 -18.056 -9.778 7.127 512 HG3 GLU 66 HG3 GLU 66 -19.497 -9.344 6.205 513 H LYS 67 H LYS 67 -15.000 -7.207 5.089 514 HA LYS 67 HA LYS 67 -14.820 -6.847 2.280 515 HB2 LYS 67 HB2 LYS 67 -13.818 -5.457 4.732 516 HB3 LYS 67 HB3 LYS 67 -13.377 -4.889 3.105 517 HG2 LYS 67 HG2 LYS 67 -16.197 -5.168 4.157 518 HG3 LYS 67 HG3 LYS 67 -15.275 -3.661 4.130 519 HD2 LYS 67 HD2 LYS 67 -15.053 -3.901 1.668 520 HD3 LYS 67 HD3 LYS 67 -16.093 -5.321 1.745 521 HE2 LYS 67 HE2 LYS 67 -16.877 -2.547 2.632 522 HE3 LYS 67 HE3 LYS 67 -17.294 -3.268 1.082 523 HZ1 LYS 67 HZ1 LYS 67 -18.168 -4.181 3.766 524 HZ2 LYS 67 HZ2 LYS 67 -18.436 -5.049 2.341 525 HZ3 LYS 67 HZ3 LYS 67 -19.132 -3.526 2.538 526 H ARG 68 H ARG 68 -12.893 -7.905 4.915 527 HA ARG 68 HA ARG 68 -10.359 -7.914 3.785 528 HB2 ARG 68 HB2 ARG 68 -11.303 -8.216 6.218 529 HB3 ARG 68 HB3 ARG 68 -11.339 -9.908 5.781 530 HG2 ARG 68 HG2 ARG 68 -8.800 -9.045 5.035 531 HG3 ARG 68 HG3 ARG 68 -9.122 -8.284 6.574 532 HD2 ARG 68 HD2 ARG 68 -8.063 -10.514 6.834 533 HD3 ARG 68 HD3 ARG 68 -9.613 -10.353 7.647 534 HE ARG 68 HE ARG 68 -10.602 -11.727 5.961 535 HH11 ARG 68 HH11 ARG 68 -7.114 -11.551 5.812 536 HH12 ARG 68 HH12 ARG 68 -6.941 -13.004 4.899 537 HH21 ARG 68 HH21 ARG 68 -10.395 -13.670 4.749 538 HH22 ARG 68 HH22 ARG 68 -8.810 -14.220 4.295 539 H ASP 69 H ASP 69 -12.928 -10.348 4.069 540 HA ASP 69 HA ASP 69 -11.516 -12.405 2.724 541 HB2 ASP 69 HB2 ASP 69 -14.443 -12.067 3.355 542 HB3 ASP 69 HB3 ASP 69 -13.811 -13.468 2.494 543 H ILE 70 H ILE 70 -13.764 -9.946 1.749 544 HA ILE 70 HA ILE 70 -14.065 -10.711 -0.921 545 HB ILE 70 HB ILE 70 -14.134 -8.080 0.507 546 HG12 ILE 70 HG12 ILE 70 -15.958 -9.590 0.994 547 HG13 ILE 70 HG13 ILE 70 -16.558 -8.208 0.085 548 HG21 ILE 70 HG21 ILE 70 -14.786 -8.521 -2.426 549 HG22 ILE 70 HG22 ILE 70 -13.429 -7.588 -1.795 550 HG23 ILE 70 HG23 ILE 70 -15.082 -7.031 -1.530 551 HD11 ILE 70 HD11 ILE 70 -16.584 -9.577 -1.946 552 HD12 ILE 70 HD12 ILE 70 -17.598 -10.251 -0.674 553 HD13 ILE 70 HD13 ILE 70 -16.022 -10.963 -1.011 554 H TYR 71 H TYR 71 -11.742 -8.525 0.614 555 HA TYR 71 HA TYR 71 -10.208 -8.029 -1.714 556 HB2 TYR 71 HB2 TYR 71 -9.981 -6.647 0.302 557 HB3 TYR 71 HB3 TYR 71 -9.297 -8.011 1.176 558 HD1 TYR 71 HD1 TYR 71 -8.663 -6.103 -1.989 559 HD2 TYR 71 HD2 TYR 71 -7.002 -8.033 1.417 560 HE1 TYR 71 HE1 TYR 71 -6.413 -5.392 -2.690 561 HE2 TYR 71 HE2 TYR 71 -4.750 -7.333 0.722 562 HH TYR 71 HH TYR 71 -4.251 -5.111 -1.931 563 H ASP 72 H ASP 72 -9.863 -10.488 0.762 564 HA ASP 72 HA ASP 72 -7.548 -11.756 -0.176 565 HB2 ASP 72 HB2 ASP 72 -8.361 -12.210 2.023 566 HB3 ASP 72 HB3 ASP 72 -9.908 -12.766 1.403 567 H GLN 73 H GLN 73 -10.958 -12.526 -0.873 568 HA GLN 73 HA GLN 73 -10.375 -14.788 -2.488 569 HB2 GLN 73 HB2 GLN 73 -12.856 -13.110 -2.239 570 HB3 GLN 73 HB3 GLN 73 -12.758 -14.558 -3.229 571 HG2 GLN 73 HG2 GLN 73 -12.270 -15.892 -1.272 572 HG3 GLN 73 HG3 GLN 73 -12.282 -14.438 -0.271 573 HE21 GLN 73 HE21 GLN 73 -14.211 -13.443 0.186 574 HE22 GLN 73 HE22 GLN 73 -15.743 -14.208 -0.059 575 H PHE 74 H PHE 74 -11.044 -11.413 -3.230 576 HA PHE 74 HA PHE 74 -10.922 -11.978 -6.062 577 HB2 PHE 74 HB2 PHE 74 -11.342 -9.402 -4.548 578 HB3 PHE 74 HB3 PHE 74 -11.248 -9.489 -6.305 579 HD1 PHE 74 HD1 PHE 74 -13.301 -10.117 -3.377 580 HD2 PHE 74 HD2 PHE 74 -12.987 -10.670 -7.576 581 HE1 PHE 74 HE1 PHE 74 -15.695 -10.655 -3.478 582 HE2 PHE 74 HE2 PHE 74 -15.388 -11.204 -7.685 583 HZ PHE 74 HZ PHE 74 -16.742 -11.197 -5.632 584 H GLY 75 H GLY 75 -8.703 -11.453 -3.667 585 HA2 GLY 75 HA2 GLY 75 -6.761 -10.204 -5.459 586 HA3 GLY 75 HA3 GLY 75 -6.509 -10.601 -3.762 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 6.147 0.569 -12.788 2 H2 GLY 1 HT2 GLY 1 5.365 -0.915 -12.990 3 H3 GLY 1 HT3 GLY 1 4.695 0.491 -13.648 4 HA2 GLY 1 HA3 GLY 1 5.729 -0.791 -15.384 5 HA3 GLY 1 HA2 GLY 1 6.567 0.736 -15.142 6 H GLU 2 H GLU 2 8.611 0.740 -14.105 7 HA GLU 2 HA GLU 2 10.315 -1.369 -14.863 8 HB2 GLU 2 HB2 GLU 2 10.727 0.902 -12.927 9 HB3 GLU 2 HB3 GLU 2 12.001 -0.206 -13.409 10 HG2 GLU 2 HG2 GLU 2 11.726 0.511 -15.729 11 HG3 GLU 2 HG3 GLU 2 10.476 1.648 -15.217 12 H PHE 3 H PHE 3 8.828 -0.543 -11.805 13 HA PHE 3 HA PHE 3 10.184 -2.733 -10.445 14 HB2 PHE 3 HB2 PHE 3 8.292 -0.601 -9.424 15 HB3 PHE 3 HB3 PHE 3 9.077 -1.813 -8.420 16 HD1 PHE 3 HD1 PHE 3 9.503 1.286 -10.286 17 HD2 PHE 3 HD2 PHE 3 11.465 -1.696 -7.972 18 HE1 PHE 3 HE1 PHE 3 11.438 2.779 -10.009 19 HE2 PHE 3 HE2 PHE 3 13.401 -0.208 -7.690 20 HZ PHE 3 HZ PHE 3 13.390 2.033 -8.710 21 H GLY 4 H GLY 4 8.067 -3.021 -12.555 22 HA2 GLY 4 HA2 GLY 4 6.341 -4.471 -12.955 23 HA3 GLY 4 HA3 GLY 4 6.577 -5.104 -11.328 24 H SER 5 H SER 5 4.810 -4.954 -10.160 25 HA SER 5 HA SER 5 2.854 -4.219 -9.291 26 HB2 SER 5 HB2 SER 5 4.153 -1.523 -9.753 27 HB3 SER 5 HB3 SER 5 2.749 -1.806 -8.724 28 HG SER 5 HG SER 5 5.212 -3.158 -8.361 29 H MET 6 H MET 6 2.779 -4.839 -11.996 30 HA MET 6 HA MET 6 1.356 -2.834 -13.465 31 HB2 MET 6 HB2 MET 6 1.773 -5.789 -13.946 32 HB3 MET 6 HB3 MET 6 0.898 -4.741 -15.054 33 HG2 MET 6 HG2 MET 6 2.877 -3.410 -15.421 34 HG3 MET 6 HG3 MET 6 3.764 -4.349 -14.224 35 HE1 MET 6 HE1 MET 6 2.418 -5.877 -18.362 36 HE2 MET 6 HE2 MET 6 2.264 -4.211 -17.806 37 HE3 MET 6 HE3 MET 6 1.264 -5.475 -17.091 38 H VAL 7 H VAL 7 0.620 -4.847 -10.978 39 HA VAL 7 HA VAL 7 -2.197 -4.288 -11.176 40 HB VAL 7 HB VAL 7 -2.820 -6.606 -10.443 41 HG11 VAL 7 HG11 VAL 7 -1.476 -6.485 -13.137 42 HG12 VAL 7 HG12 VAL 7 -3.129 -5.991 -12.771 43 HG13 VAL 7 HG13 VAL 7 -2.664 -7.688 -12.635 44 HG21 VAL 7 HG21 VAL 7 -0.655 -7.324 -9.577 45 HG22 VAL 7 HG22 VAL 7 0.017 -7.301 -11.207 46 HG23 VAL 7 HG23 VAL 7 -1.247 -8.457 -10.792 47 H LYS 8 H LYS 8 -3.038 -3.962 -9.106 48 HA LYS 8 HA LYS 8 -1.030 -4.160 -6.985 49 HB2 LYS 8 HB2 LYS 8 -3.482 -2.420 -7.155 50 HB3 LYS 8 HB3 LYS 8 -2.562 -2.627 -5.670 51 HG2 LYS 8 HG2 LYS 8 -0.556 -1.779 -6.815 52 HG3 LYS 8 HG3 LYS 8 -1.518 -1.522 -8.270 53 HD2 LYS 8 HD2 LYS 8 -2.927 0.067 -7.066 54 HD3 LYS 8 HD3 LYS 8 -1.997 -0.212 -5.592 55 HE2 LYS 8 HE2 LYS 8 0.018 0.626 -6.713 56 HE3 LYS 8 HE3 LYS 8 -0.917 0.914 -8.177 57 HZ1 LYS 8 HZ1 LYS 8 -0.608 2.934 -6.875 58 HZ2 LYS 8 HZ2 LYS 8 -1.383 2.226 -5.555 59 HZ3 LYS 8 HZ3 LYS 8 -2.245 2.529 -6.976 60 H GLU 9 H GLU 9 -1.081 -6.010 -5.999 61 HA GLU 9 HA GLU 9 -3.655 -6.930 -4.937 62 HB2 GLU 9 HB2 GLU 9 -3.062 -8.247 -6.936 63 HB3 GLU 9 HB3 GLU 9 -1.518 -8.651 -6.203 64 HG2 GLU 9 HG2 GLU 9 -2.719 -9.798 -4.387 65 HG3 GLU 9 HG3 GLU 9 -4.241 -9.456 -5.210 66 H THR 10 H THR 10 -3.595 -7.647 -2.899 67 HA THR 10 HA THR 10 -2.978 -7.962 -0.783 68 HB THR 10 HB THR 10 -0.974 -9.442 -0.359 69 HG1 THR 10 HG1 THR 10 0.393 -9.036 -2.050 70 HG21 THR 10 HG21 THR 10 -1.984 -11.398 -1.482 71 HG22 THR 10 HG22 THR 10 -2.978 -10.308 -2.447 72 HG23 THR 10 HG23 THR 10 -3.188 -10.376 -0.699 73 H LYS 11 H LYS 11 -1.463 -5.732 -2.410 74 HA LYS 11 HA LYS 11 0.814 -5.047 -0.943 75 HB2 LYS 11 HB2 LYS 11 -1.064 -3.309 -2.486 76 HB3 LYS 11 HB3 LYS 11 0.438 -2.716 -1.778 77 HG2 LYS 11 HG2 LYS 11 1.679 -4.384 -3.091 78 HG3 LYS 11 HG3 LYS 11 0.155 -4.895 -3.820 79 HD2 LYS 11 HD2 LYS 11 -0.142 -2.671 -4.775 80 HD3 LYS 11 HD3 LYS 11 1.363 -2.137 -4.021 81 HE2 LYS 11 HE2 LYS 11 1.095 -4.332 -6.074 82 HE3 LYS 11 HE3 LYS 11 1.691 -2.703 -6.383 83 HZ1 LYS 11 HZ1 LYS 11 3.495 -3.148 -4.786 84 HZ2 LYS 11 HZ2 LYS 11 3.537 -4.191 -6.113 85 HZ3 LYS 11 HZ3 LYS 11 2.955 -4.743 -4.629 86 H PHE 12 H PHE 12 -2.500 -4.612 -0.171 87 HA PHE 12 HA PHE 12 -2.059 -2.604 1.793 88 HB2 PHE 12 HB2 PHE 12 -4.374 -4.378 1.160 89 HB3 PHE 12 HB3 PHE 12 -4.325 -3.564 2.722 90 HD1 PHE 12 HD1 PHE 12 -5.816 -3.302 -0.288 91 HD2 PHE 12 HD2 PHE 12 -3.339 -0.986 2.273 92 HE1 PHE 12 HE1 PHE 12 -6.713 -1.231 -1.281 93 HE2 PHE 12 HE2 PHE 12 -4.227 1.076 1.296 94 HZ PHE 12 HZ PHE 12 -5.915 0.966 -0.467 95 H TYR 13 H TYR 13 -1.886 -6.072 1.754 96 HA TYR 13 HA TYR 13 -1.743 -6.345 4.619 97 HB2 TYR 13 HB2 TYR 13 -0.721 -8.304 2.486 98 HB3 TYR 13 HB3 TYR 13 -0.901 -8.625 4.202 99 HD1 TYR 13 HD1 TYR 13 -2.588 -8.355 1.018 100 HD2 TYR 13 HD2 TYR 13 -3.159 -8.897 5.190 101 HE1 TYR 13 HE1 TYR 13 -4.854 -9.202 0.582 102 HE2 TYR 13 HE2 TYR 13 -5.434 -9.750 4.771 103 HH TYR 13 HH TYR 13 -6.506 -10.662 1.683 104 H ASP 14 H ASP 14 0.536 -6.150 1.945 105 HA ASP 14 HA ASP 14 2.952 -6.247 3.345 106 HB2 ASP 14 HB2 ASP 14 2.151 -4.949 0.769 107 HB3 ASP 14 HB3 ASP 14 3.783 -4.776 1.390 108 H ILE 15 H ILE 15 0.940 -3.445 2.528 109 HA ILE 15 HA ILE 15 2.652 -1.488 3.514 110 HB ILE 15 HB ILE 15 -0.309 -1.606 3.093 111 HG12 ILE 15 HG12 ILE 15 1.820 -0.005 1.669 112 HG13 ILE 15 HG13 ILE 15 1.223 -1.599 1.149 113 HG21 ILE 15 HG21 ILE 15 -0.405 0.851 3.441 114 HG22 ILE 15 HG22 ILE 15 1.262 0.811 4.012 115 HG23 ILE 15 HG23 ILE 15 0.001 -0.021 4.919 116 HD11 ILE 15 HD11 ILE 15 0.188 0.195 -0.118 117 HD12 ILE 15 HD12 ILE 15 -0.397 0.935 1.371 118 HD13 ILE 15 HD13 ILE 15 -1.012 -0.641 0.869 119 H LEU 16 H LEU 16 -0.139 -2.987 5.189 120 HA LEU 16 HA LEU 16 0.506 -1.829 7.667 121 HB2 LEU 16 HB2 LEU 16 -1.084 -4.304 7.043 122 HB3 LEU 16 HB3 LEU 16 -0.902 -3.684 8.671 123 HG LEU 16 HG LEU 16 -2.230 -2.221 6.370 124 HD11 LEU 16 HD11 LEU 16 -3.420 -3.486 8.825 125 HD12 LEU 16 HD12 LEU 16 -3.491 -4.154 7.197 126 HD13 LEU 16 HD13 LEU 16 -4.287 -2.620 7.556 127 HD21 LEU 16 HD21 LEU 16 -2.920 -0.625 8.105 128 HD22 LEU 16 HD22 LEU 16 -1.169 -0.670 7.916 129 HD23 LEU 16 HD23 LEU 16 -1.929 -1.486 9.282 130 H GLY 17 H GLY 17 1.788 -4.612 6.080 131 HA2 GLY 17 HA2 GLY 17 3.864 -5.588 6.628 132 HA3 GLY 17 HA3 GLY 17 3.732 -4.898 8.241 133 H VAL 18 H VAL 18 0.925 -6.332 7.180 134 HA VAL 18 HA VAL 18 1.304 -8.590 9.009 135 HB VAL 18 HB VAL 18 -1.150 -8.857 8.848 136 HG11 VAL 18 HG11 VAL 18 -1.742 -6.868 10.094 137 HG12 VAL 18 HG12 VAL 18 -0.277 -6.067 9.530 138 HG13 VAL 18 HG13 VAL 18 -0.163 -7.473 10.589 139 HG21 VAL 18 HG21 VAL 18 -1.023 -6.384 7.124 140 HG22 VAL 18 HG22 VAL 18 -2.498 -7.116 7.754 141 HG23 VAL 18 HG23 VAL 18 -1.502 -7.996 6.595 142 HA PRO 19 HA PRO 19 1.392 -11.530 5.646 143 HB2 PRO 19 HB2 PRO 19 -0.059 -13.593 6.641 144 HB3 PRO 19 HB3 PRO 19 1.571 -13.221 7.238 145 HG2 PRO 19 HG2 PRO 19 -1.092 -12.454 8.380 146 HG3 PRO 19 HG3 PRO 19 0.310 -13.150 9.216 147 HD2 PRO 19 HD2 PRO 19 -0.212 -10.516 9.298 148 HD3 PRO 19 HD3 PRO 19 1.459 -11.103 9.211 149 H VAL 20 H VAL 20 -0.130 -12.654 4.086 150 HA VAL 20 HA VAL 20 -2.412 -11.010 3.654 151 HB VAL 20 HB VAL 20 -2.847 -12.550 1.728 152 HG11 VAL 20 HG11 VAL 20 -0.020 -11.526 1.966 153 HG12 VAL 20 HG12 VAL 20 -1.424 -10.582 1.471 154 HG13 VAL 20 HG13 VAL 20 -0.853 -11.909 0.459 155 HG21 VAL 20 HG21 VAL 20 -1.196 -14.240 1.178 156 HG22 VAL 20 HG22 VAL 20 -1.928 -14.587 2.750 157 HG23 VAL 20 HG23 VAL 20 -0.316 -13.870 2.659 158 H THR 21 H THR 21 -1.719 -13.820 5.399 159 HA THR 21 HA THR 21 -4.505 -14.630 5.667 160 HB THR 21 HB THR 21 -2.262 -15.905 7.167 161 HG1 THR 21 HG1 THR 21 -2.607 -16.905 4.604 162 HG21 THR 21 HG21 THR 21 -4.629 -17.009 5.629 163 HG22 THR 21 HG22 THR 21 -4.572 -16.738 7.371 164 HG23 THR 21 HG23 THR 21 -3.522 -17.948 6.632 165 H ALA 22 H ALA 22 -3.337 -12.081 6.752 166 HA ALA 22 HA ALA 22 -2.796 -12.286 9.494 167 HB1 ALA 22 HB1 ALA 22 -2.193 -10.372 8.073 168 HB2 ALA 22 HB2 ALA 22 -3.012 -9.913 9.568 169 HB3 ALA 22 HB3 ALA 22 -3.893 -9.901 8.039 170 H THR 23 H THR 23 -3.961 -11.896 11.271 171 HA THR 23 HA THR 23 -6.839 -12.283 11.037 172 HB THR 23 HB THR 23 -6.736 -12.659 13.505 173 HG1 THR 23 HG1 THR 23 -3.913 -12.454 13.094 174 HG21 THR 23 HG21 THR 23 -6.555 -14.569 11.979 175 HG22 THR 23 HG22 THR 23 -5.559 -14.819 13.413 176 HG23 THR 23 HG23 THR 23 -4.809 -14.341 11.890 177 H ASP 24 H ASP 24 -8.130 -10.985 12.702 178 HA ASP 24 HA ASP 24 -8.049 -8.293 12.032 179 HB2 ASP 24 HB2 ASP 24 -9.359 -9.664 14.382 180 HB3 ASP 24 HB3 ASP 24 -9.645 -7.984 13.943 181 H VAL 25 H VAL 25 -6.730 -9.959 14.833 182 HA VAL 25 HA VAL 25 -6.115 -7.649 16.325 183 HB VAL 25 HB VAL 25 -4.944 -10.434 16.409 184 HG11 VAL 25 HG11 VAL 25 -4.035 -9.842 18.617 185 HG12 VAL 25 HG12 VAL 25 -4.568 -8.178 18.380 186 HG13 VAL 25 HG13 VAL 25 -3.326 -8.864 17.333 187 HG21 VAL 25 HG21 VAL 25 -6.982 -9.067 18.164 188 HG22 VAL 25 HG22 VAL 25 -6.337 -10.689 18.418 189 HG23 VAL 25 HG23 VAL 25 -7.302 -10.338 16.983 190 H GLU 26 H GLU 26 -4.275 -9.592 14.025 191 HA GLU 26 HA GLU 26 -1.761 -8.261 14.350 192 HB2 GLU 26 HB2 GLU 26 -2.913 -9.890 12.085 193 HB3 GLU 26 HB3 GLU 26 -1.232 -9.362 12.165 194 HG2 GLU 26 HG2 GLU 26 -0.839 -10.700 14.096 195 HG3 GLU 26 HG3 GLU 26 -2.554 -11.089 14.240 196 H ILE 27 H ILE 27 -4.441 -7.971 12.213 197 HA ILE 27 HA ILE 27 -3.451 -6.008 10.485 198 HB ILE 27 HB ILE 27 -6.229 -6.866 11.278 199 HG12 ILE 27 HG12 ILE 27 -4.714 -7.225 8.682 200 HG13 ILE 27 HG13 ILE 27 -4.728 -8.404 9.987 201 HG21 ILE 27 HG21 ILE 27 -5.458 -4.880 9.114 202 HG22 ILE 27 HG22 ILE 27 -6.352 -4.512 10.588 203 HG23 ILE 27 HG23 ILE 27 -7.071 -5.552 9.358 204 HD11 ILE 27 HD11 ILE 27 -6.289 -8.969 8.199 205 HD12 ILE 27 HD12 ILE 27 -7.149 -7.452 8.476 206 HD13 ILE 27 HD13 ILE 27 -7.114 -8.689 9.731 207 H LYS 28 H LYS 28 -5.475 -5.751 13.401 208 HA LYS 28 HA LYS 28 -5.739 -3.001 13.279 209 HB2 LYS 28 HB2 LYS 28 -7.260 -4.458 14.465 210 HB3 LYS 28 HB3 LYS 28 -5.988 -4.884 15.598 211 HG2 LYS 28 HG2 LYS 28 -5.881 -2.620 16.373 212 HG3 LYS 28 HG3 LYS 28 -7.108 -2.142 15.197 213 HD2 LYS 28 HD2 LYS 28 -7.519 -4.187 17.368 214 HD3 LYS 28 HD3 LYS 28 -8.012 -2.494 17.480 215 HE2 LYS 28 HE2 LYS 28 -9.453 -2.784 15.513 216 HE3 LYS 28 HE3 LYS 28 -8.964 -4.472 15.401 217 HZ1 LYS 28 HZ1 LYS 28 -10.469 -3.227 17.631 218 HZ2 LYS 28 HZ2 LYS 28 -9.940 -4.831 17.594 219 HZ3 LYS 28 HZ3 LYS 28 -11.081 -4.293 16.468 220 H LYS 29 H LYS 29 -3.479 -5.052 15.059 221 HA LYS 29 HA LYS 29 -2.318 -2.830 16.386 222 HB2 LYS 29 HB2 LYS 29 -0.547 -4.322 17.132 223 HB3 LYS 29 HB3 LYS 29 -2.132 -5.027 17.374 224 HG2 LYS 29 HG2 LYS 29 -1.807 -6.415 15.402 225 HG3 LYS 29 HG3 LYS 29 -0.190 -5.758 15.178 226 HD2 LYS 29 HD2 LYS 29 0.370 -6.522 17.508 227 HD3 LYS 29 HD3 LYS 29 -1.206 -7.303 17.580 228 HE2 LYS 29 HE2 LYS 29 0.426 -8.960 17.051 229 HE3 LYS 29 HE3 LYS 29 -0.523 -8.676 15.602 230 HZ1 LYS 29 HZ1 LYS 29 1.773 -8.784 15.024 231 HZ2 LYS 29 HZ2 LYS 29 2.192 -7.647 16.192 232 HZ3 LYS 29 HZ3 LYS 29 1.284 -7.176 14.843 233 H ALA 30 H ALA 30 -1.574 -4.418 13.379 234 HA ALA 30 HA ALA 30 0.782 -3.059 12.776 235 HB1 ALA 30 HB1 ALA 30 -1.358 -4.012 10.883 236 HB2 ALA 30 HB2 ALA 30 -0.020 -4.983 11.501 237 HB3 ALA 30 HB3 ALA 30 0.303 -3.600 10.455 238 H TYR 31 H TYR 31 -2.633 -2.241 12.274 239 HA TYR 31 HA TYR 31 -2.195 0.194 10.940 240 HB2 TYR 31 HB2 TYR 31 -4.384 -0.728 10.833 241 HB3 TYR 31 HB3 TYR 31 -4.504 -0.847 12.590 242 HD1 TYR 31 HD1 TYR 31 -4.144 1.681 9.852 243 HD2 TYR 31 HD2 TYR 31 -5.565 0.857 13.778 244 HE1 TYR 31 HE1 TYR 31 -5.200 3.901 9.934 245 HE2 TYR 31 HE2 TYR 31 -6.626 3.070 13.867 246 HH TYR 31 HH TYR 31 -6.420 5.243 12.833 247 H ARG 32 H ARG 32 -2.659 -0.689 14.310 248 HA ARG 32 HA ARG 32 -2.620 1.840 15.450 249 HB2 ARG 32 HB2 ARG 32 -1.682 -0.838 16.456 250 HB3 ARG 32 HB3 ARG 32 -1.750 0.595 17.468 251 HG2 ARG 32 HG2 ARG 32 -4.167 -0.328 15.994 252 HG3 ARG 32 HG3 ARG 32 -3.692 -1.094 17.511 253 HD2 ARG 32 HD2 ARG 32 -3.717 1.085 18.604 254 HD3 ARG 32 HD3 ARG 32 -4.160 1.851 17.084 255 HE ARG 32 HE ARG 32 -6.166 0.126 17.374 256 HH11 ARG 32 HH11 ARG 32 -4.702 2.277 19.736 257 HH12 ARG 32 HH12 ARG 32 -6.178 2.539 20.596 258 HH21 ARG 32 HH21 ARG 32 -8.128 0.495 18.511 259 HH22 ARG 32 HH22 ARG 32 -8.125 1.527 19.903 260 H LYS 33 H LYS 33 0.037 -0.392 14.762 261 HA LYS 33 HA LYS 33 1.963 1.426 15.847 262 HB2 LYS 33 HB2 LYS 33 3.643 -0.093 15.244 263 HB3 LYS 33 HB3 LYS 33 2.244 -1.118 15.536 264 HG2 LYS 33 HG2 LYS 33 1.833 -1.233 13.121 265 HG3 LYS 33 HG3 LYS 33 3.239 -0.189 12.871 266 HD2 LYS 33 HD2 LYS 33 4.695 -1.895 13.816 267 HD3 LYS 33 HD3 LYS 33 3.303 -2.941 14.111 268 HE2 LYS 33 HE2 LYS 33 2.838 -3.018 11.717 269 HE3 LYS 33 HE3 LYS 33 4.206 -1.950 11.404 270 HZ1 LYS 33 HZ1 LYS 33 4.359 -4.672 12.578 271 HZ2 LYS 33 HZ2 LYS 33 5.681 -3.661 12.271 272 HZ3 LYS 33 HZ3 LYS 33 4.758 -4.258 10.991 273 H CYS 34 H CYS 34 0.907 0.701 12.537 274 HA CYS 34 HA CYS 34 2.849 2.328 11.289 275 HB2 CYS 34 HB2 CYS 34 1.566 0.631 10.072 276 HB3 CYS 34 HB3 CYS 34 0.099 1.582 10.284 277 HG CYS 34 HG CYS 34 0.764 3.599 8.594 278 H ALA 35 H ALA 35 -0.531 3.038 12.143 279 HA ALA 35 HA ALA 35 -0.462 5.689 11.141 280 HB1 ALA 35 HB1 ALA 35 -2.538 4.419 11.431 281 HB2 ALA 35 HB2 ALA 35 -2.593 5.964 12.281 282 HB3 ALA 35 HB3 ALA 35 -2.324 4.471 13.180 283 H LEU 36 H LEU 36 -0.207 4.375 14.427 284 HA LEU 36 HA LEU 36 0.075 6.879 15.692 285 HB2 LEU 36 HB2 LEU 36 0.877 4.135 16.605 286 HB3 LEU 36 HB3 LEU 36 1.012 5.564 17.611 287 HG LEU 36 HG LEU 36 -1.579 4.554 16.441 288 HD11 LEU 36 HD11 LEU 36 -0.775 2.931 18.002 289 HD12 LEU 36 HD12 LEU 36 -2.079 3.846 18.763 290 HD13 LEU 36 HD13 LEU 36 -0.398 4.183 19.180 291 HD21 LEU 36 HD21 LEU 36 -1.606 6.941 16.891 292 HD22 LEU 36 HD22 LEU 36 -0.995 6.661 18.520 293 HD23 LEU 36 HD23 LEU 36 -2.600 6.087 18.072 294 H LYS 37 H LYS 37 2.524 4.644 14.480 295 HA LYS 37 HA LYS 37 4.737 6.053 15.518 296 HB2 LYS 37 HB2 LYS 37 4.487 4.118 13.221 297 HB3 LYS 37 HB3 LYS 37 6.032 4.825 13.701 298 HG2 LYS 37 HG2 LYS 37 5.849 3.774 15.885 299 HG3 LYS 37 HG3 LYS 37 4.242 3.175 15.487 300 HD2 LYS 37 HD2 LYS 37 5.859 1.401 15.245 301 HD3 LYS 37 HD3 LYS 37 5.236 1.851 13.656 302 HE2 LYS 37 HE2 LYS 37 7.233 3.167 13.225 303 HE3 LYS 37 HE3 LYS 37 7.839 2.820 14.841 304 HZ1 LYS 37 HZ1 LYS 37 8.889 1.406 13.240 305 HZ2 LYS 37 HZ2 LYS 37 7.402 0.850 12.668 306 HZ3 LYS 37 HZ3 LYS 37 7.905 0.466 14.236 307 H TYR 38 H TYR 38 2.980 6.369 12.462 308 HA TYR 38 HA TYR 38 4.743 8.640 11.743 309 HB2 TYR 38 HB2 TYR 38 3.339 6.627 9.997 310 HB3 TYR 38 HB3 TYR 38 4.112 8.079 9.368 311 HD1 TYR 38 HD1 TYR 38 4.646 4.772 10.851 312 HD2 TYR 38 HD2 TYR 38 6.540 8.288 9.390 313 HE1 TYR 38 HE1 TYR 38 6.797 3.584 10.795 314 HE2 TYR 38 HE2 TYR 38 8.692 7.109 9.327 315 HH TYR 38 HH TYR 38 8.966 3.760 9.595 316 H HIS 39 H HIS 39 2.230 8.672 13.306 317 HA HIS 39 HA HIS 39 0.121 9.721 11.761 318 HB2 HIS 39 HB2 HIS 39 -0.760 10.609 13.894 319 HB3 HIS 39 HB3 HIS 39 -0.253 8.929 14.038 320 HD2 HIS 39 HD2 HIS 39 3.018 9.991 14.502 321 HE1 HIS 39 HE1 HIS 39 1.307 11.326 18.136 322 HE2 HIS 39 HE2 HIS 39 3.374 10.459 17.009 323 HA PRO 40 HA PRO 40 1.467 13.776 10.639 324 HB2 PRO 40 HB2 PRO 40 -0.954 15.048 10.566 325 HB3 PRO 40 HB3 PRO 40 -0.393 13.940 9.305 326 HG2 PRO 40 HG2 PRO 40 -2.227 13.406 11.616 327 HG3 PRO 40 HG3 PRO 40 -2.392 12.909 9.920 328 HD2 PRO 40 HD2 PRO 40 -1.512 11.205 11.784 329 HD3 PRO 40 HD3 PRO 40 -0.833 11.201 10.142 330 H ASP 41 H ASP 41 -0.249 13.179 13.554 331 HA ASP 41 HA ASP 41 -0.336 15.766 14.653 332 HB2 ASP 41 HB2 ASP 41 -0.261 13.055 15.964 333 HB3 ASP 41 HB3 ASP 41 -0.423 14.552 16.874 334 H LYS 42 H LYS 42 2.340 13.622 14.200 335 HA LYS 42 HA LYS 42 4.008 15.444 15.697 336 HB2 LYS 42 HB2 LYS 42 4.037 12.467 16.186 337 HB3 LYS 42 HB3 LYS 42 5.278 13.578 16.754 338 HG2 LYS 42 HG2 LYS 42 3.520 14.785 18.040 339 HG3 LYS 42 HG3 LYS 42 2.376 13.538 17.554 340 HD2 LYS 42 HD2 LYS 42 3.155 12.986 19.740 341 HD3 LYS 42 HD3 LYS 42 3.895 11.849 18.611 342 HE2 LYS 42 HE2 LYS 42 5.543 12.610 20.219 343 HE3 LYS 42 HE3 LYS 42 5.950 13.215 18.616 344 HZ1 LYS 42 HZ1 LYS 42 6.199 14.913 20.331 345 HZ2 LYS 42 HZ2 LYS 42 4.566 14.772 20.736 346 HZ3 LYS 42 HZ3 LYS 42 5.010 15.356 19.214 347 H ASN 43 H ASN 43 3.495 13.211 13.170 348 HA ASN 43 HA ASN 43 6.219 13.620 12.189 349 HB2 ASN 43 HB2 ASN 43 4.141 11.559 11.441 350 HB3 ASN 43 HB3 ASN 43 5.694 11.722 10.643 351 HD21 ASN 43 HD21 ASN 43 4.040 10.714 13.443 352 HD22 ASN 43 HD22 ASN 43 5.359 9.885 14.200 353 HA PRO 44 HA PRO 44 3.927 16.506 9.616 354 HB2 PRO 44 HB2 PRO 44 5.993 18.052 8.951 355 HB3 PRO 44 HB3 PRO 44 5.319 18.076 10.588 356 HG2 PRO 44 HG2 PRO 44 7.744 16.647 9.563 357 HG3 PRO 44 HG3 PRO 44 7.558 17.604 11.044 358 HD2 PRO 44 HD2 PRO 44 7.425 14.874 10.977 359 HD3 PRO 44 HD3 PRO 44 6.569 15.878 12.187 360 H SER 45 H SER 45 6.258 14.194 8.723 361 HA SER 45 HA SER 45 6.876 15.002 6.109 362 HB2 SER 45 HB2 SER 45 6.606 12.173 6.957 363 HB3 SER 45 HB3 SER 45 7.693 12.848 5.768 364 HG SER 45 HG SER 45 8.689 14.036 7.534 365 H GLU 46 H GLU 46 5.894 14.831 4.350 366 HA GLU 46 HA GLU 46 3.156 14.311 4.131 367 HB2 GLU 46 HB2 GLU 46 5.282 14.561 2.013 368 HB3 GLU 46 HB3 GLU 46 3.561 14.450 1.659 369 HG2 GLU 46 HG2 GLU 46 3.159 16.479 2.951 370 HG3 GLU 46 HG3 GLU 46 4.880 16.592 3.309 371 H GLU 47 H GLU 47 5.981 12.370 3.389 372 HA GLU 47 HA GLU 47 4.767 10.163 2.170 373 HB2 GLU 47 HB2 GLU 47 7.183 10.441 3.921 374 HB3 GLU 47 HB3 GLU 47 6.782 8.957 3.062 375 HG2 GLU 47 HG2 GLU 47 7.369 11.625 1.802 376 HG3 GLU 47 HG3 GLU 47 8.466 10.245 1.867 377 H ALA 48 H ALA 48 5.373 10.975 5.495 378 HA ALA 48 HA ALA 48 4.491 8.569 6.698 379 HB1 ALA 48 HB1 ALA 48 4.556 11.379 7.806 380 HB2 ALA 48 HB2 ALA 48 5.817 10.156 7.975 381 HB3 ALA 48 HB3 ALA 48 4.258 9.934 8.766 382 H ALA 49 H ALA 49 2.943 11.515 5.897 383 HA ALA 49 HA ALA 49 0.368 10.856 6.835 384 HB1 ALA 49 HB1 ALA 49 -0.456 12.645 5.386 385 HB2 ALA 49 HB2 ALA 49 1.096 12.690 4.547 386 HB3 ALA 49 HB3 ALA 49 0.999 13.153 6.246 387 H GLU 50 H GLU 50 1.981 10.342 3.755 388 HA GLU 50 HA GLU 50 -0.209 9.281 2.337 389 HB2 GLU 50 HB2 GLU 50 2.718 8.624 1.975 390 HB3 GLU 50 HB3 GLU 50 1.444 8.345 0.796 391 HG2 GLU 50 HG2 GLU 50 1.058 10.892 0.997 392 HG3 GLU 50 HG3 GLU 50 2.689 10.894 1.699 393 H LYS 51 H LYS 51 2.316 7.730 4.247 394 HA LYS 51 HA LYS 51 1.276 5.116 3.834 395 HB2 LYS 51 HB2 LYS 51 2.794 4.436 5.680 396 HB3 LYS 51 HB3 LYS 51 3.602 5.327 4.400 397 HG2 LYS 51 HG2 LYS 51 3.387 7.326 5.862 398 HG3 LYS 51 HG3 LYS 51 2.826 6.245 7.136 399 HD2 LYS 51 HD2 LYS 51 5.475 6.008 5.703 400 HD3 LYS 51 HD3 LYS 51 5.243 6.747 7.290 401 HE2 LYS 51 HE2 LYS 51 5.938 4.595 7.832 402 HE3 LYS 51 HE3 LYS 51 4.183 4.464 7.924 403 HZ1 LYS 51 HZ1 LYS 51 5.842 3.635 5.596 404 HZ2 LYS 51 HZ2 LYS 51 4.172 3.442 5.736 405 HZ3 LYS 51 HZ3 LYS 51 5.205 2.590 6.755 406 H PHE 52 H PHE 52 0.686 7.597 6.230 407 HA PHE 52 HA PHE 52 -0.771 6.110 8.079 408 HB2 PHE 52 HB2 PHE 52 -0.027 8.405 8.502 409 HB3 PHE 52 HB3 PHE 52 -1.093 9.000 7.233 410 HD1 PHE 52 HD1 PHE 52 -0.904 7.708 10.647 411 HD2 PHE 52 HD2 PHE 52 -3.475 9.210 7.608 412 HE1 PHE 52 HE1 PHE 52 -2.690 8.017 12.311 413 HE2 PHE 52 HE2 PHE 52 -5.263 9.516 9.266 414 HZ PHE 52 HZ PHE 52 -4.870 8.922 11.622 415 H LYS 53 H LYS 53 -1.901 7.963 5.232 416 HA LYS 53 HA LYS 53 -4.617 7.263 5.501 417 HB2 LYS 53 HB2 LYS 53 -4.906 8.069 3.216 418 HB3 LYS 53 HB3 LYS 53 -3.924 9.173 4.167 419 HG2 LYS 53 HG2 LYS 53 -1.919 8.309 3.099 420 HG3 LYS 53 HG3 LYS 53 -2.902 7.184 2.159 421 HD2 LYS 53 HD2 LYS 53 -3.205 10.184 2.051 422 HD3 LYS 53 HD3 LYS 53 -2.219 9.251 0.922 423 HE2 LYS 53 HE2 LYS 53 -4.224 7.961 0.285 424 HE3 LYS 53 HE3 LYS 53 -5.192 8.966 1.364 425 HZ1 LYS 53 HZ1 LYS 53 -5.327 9.703 -0.933 426 HZ2 LYS 53 HZ2 LYS 53 -3.656 9.948 -0.978 427 HZ3 LYS 53 HZ3 LYS 53 -4.620 10.887 0.040 428 H GLU 54 H GLU 54 -2.003 5.712 3.739 429 HA GLU 54 HA GLU 54 -3.634 3.809 2.435 430 HB2 GLU 54 HB2 GLU 54 -0.718 3.734 3.196 431 HB3 GLU 54 HB3 GLU 54 -1.507 2.520 2.194 432 HG2 GLU 54 HG2 GLU 54 -2.070 4.209 0.558 433 HG3 GLU 54 HG3 GLU 54 -1.329 5.444 1.571 434 H ALA 55 H ALA 55 -2.026 3.911 5.540 435 HA ALA 55 HA ALA 55 -2.504 1.223 6.274 436 HB1 ALA 55 HB1 ALA 55 -0.824 2.616 7.391 437 HB2 ALA 55 HB2 ALA 55 -1.983 1.948 8.541 438 HB3 ALA 55 HB3 ALA 55 -2.109 3.635 8.042 439 H SER 56 H SER 56 -4.313 4.246 6.698 440 HA SER 56 HA SER 56 -6.270 3.097 8.363 441 HB2 SER 56 HB2 SER 56 -7.542 5.169 7.921 442 HB3 SER 56 HB3 SER 56 -5.880 5.502 8.387 443 HG SER 56 HG SER 56 -6.737 6.699 6.548 444 H ALA 57 H ALA 57 -6.092 3.635 4.839 445 HA ALA 57 HA ALA 57 -8.733 2.705 4.308 446 HB1 ALA 57 HB1 ALA 57 -7.437 4.004 2.669 447 HB2 ALA 57 HB2 ALA 57 -7.983 2.473 1.983 448 HB3 ALA 57 HB3 ALA 57 -6.306 2.661 2.499 449 H ALA 58 H ALA 58 -5.640 1.140 4.493 450 HA ALA 58 HA ALA 58 -6.362 -1.452 3.707 451 HB1 ALA 58 HB1 ALA 58 -4.270 -0.716 5.754 452 HB2 ALA 58 HB2 ALA 58 -4.024 -0.619 4.017 453 HB3 ALA 58 HB3 ALA 58 -4.333 -2.181 4.775 454 H TYR 59 H TYR 59 -6.239 0.143 6.840 455 HA TYR 59 HA TYR 59 -7.161 -1.974 8.407 456 HB2 TYR 59 HB2 TYR 59 -6.123 0.034 9.307 457 HB3 TYR 59 HB3 TYR 59 -7.486 1.007 8.779 458 HD1 TYR 59 HD1 TYR 59 -6.547 -1.786 11.052 459 HD2 TYR 59 HD2 TYR 59 -9.305 1.338 10.219 460 HE1 TYR 59 HE1 TYR 59 -7.591 -2.125 13.250 461 HE2 TYR 59 HE2 TYR 59 -10.356 1.006 12.412 462 HH TYR 59 HH TYR 59 -10.572 -0.866 14.074 463 H GLU 60 H GLU 60 -8.851 0.478 6.566 464 HA GLU 60 HA GLU 60 -11.380 0.080 7.607 465 HB2 GLU 60 HB2 GLU 60 -10.524 1.009 4.881 466 HB3 GLU 60 HB3 GLU 60 -12.198 1.013 5.419 467 HG2 GLU 60 HG2 GLU 60 -9.905 2.512 6.641 468 HG3 GLU 60 HG3 GLU 60 -11.242 3.193 5.707 469 H ILE 61 H ILE 61 -9.731 -1.629 4.986 470 HA ILE 61 HA ILE 61 -12.118 -3.312 4.624 471 HB ILE 61 HB ILE 61 -10.787 -4.396 2.798 472 HG12 ILE 61 HG12 ILE 61 -8.883 -2.087 3.251 473 HG13 ILE 61 HG13 ILE 61 -8.546 -3.767 3.647 474 HG21 ILE 61 HG21 ILE 61 -12.446 -2.691 2.316 475 HG22 ILE 61 HG22 ILE 61 -11.072 -2.526 1.222 476 HG23 ILE 61 HG23 ILE 61 -11.250 -1.423 2.586 477 HD11 ILE 61 HD11 ILE 61 -8.715 -4.358 1.297 478 HD12 ILE 61 HD12 ILE 61 -7.492 -3.116 1.570 479 HD13 ILE 61 HD13 ILE 61 -9.064 -2.676 0.900 480 H LEU 62 H LEU 62 -8.721 -3.700 5.428 481 HA LEU 62 HA LEU 62 -8.812 -6.435 5.866 482 HB2 LEU 62 HB2 LEU 62 -6.992 -4.313 6.894 483 HB3 LEU 62 HB3 LEU 62 -6.653 -6.042 7.061 484 HG LEU 62 HG LEU 62 -6.877 -4.439 4.512 485 HD11 LEU 62 HD11 LEU 62 -4.531 -5.788 5.824 486 HD12 LEU 62 HD12 LEU 62 -4.802 -4.053 5.646 487 HD13 LEU 62 HD13 LEU 62 -4.513 -5.052 4.223 488 HD21 LEU 62 HD21 LEU 62 -7.786 -6.628 4.100 489 HD22 LEU 62 HD22 LEU 62 -6.403 -7.393 4.881 490 HD23 LEU 62 HD23 LEU 62 -6.187 -6.522 3.364 491 H SER 63 H SER 63 -9.346 -3.769 8.189 492 HA SER 63 HA SER 63 -9.324 -5.402 10.496 493 HB2 SER 63 HB2 SER 63 -9.096 -2.925 10.554 494 HB3 SER 63 HB3 SER 63 -10.795 -2.786 10.112 495 HG SER 63 HG SER 63 -11.149 -4.145 12.075 496 H ASP 64 H ASP 64 -11.493 -5.356 7.974 497 HA ASP 64 HA ASP 64 -13.537 -6.561 9.685 498 HB2 ASP 64 HB2 ASP 64 -13.921 -4.994 7.134 499 HB3 ASP 64 HB3 ASP 64 -15.172 -6.029 7.818 500 HA PRO 65 HA PRO 65 -11.863 -10.183 7.732 501 HB2 PRO 65 HB2 PRO 65 -14.408 -11.264 8.848 502 HB3 PRO 65 HB3 PRO 65 -12.756 -11.881 9.009 503 HG2 PRO 65 HG2 PRO 65 -13.904 -10.614 11.010 504 HG3 PRO 65 HG3 PRO 65 -12.193 -10.306 10.639 505 HD2 PRO 65 HD2 PRO 65 -14.619 -8.654 10.062 506 HD3 PRO 65 HD3 PRO 65 -12.997 -8.133 10.553 507 H GLU 66 H GLU 66 -15.087 -9.031 7.386 508 HA GLU 66 HA GLU 66 -15.768 -10.832 5.237 509 HB2 GLU 66 HB2 GLU 66 -17.181 -8.391 6.324 510 HB3 GLU 66 HB3 GLU 66 -17.819 -9.398 5.030 511 HG2 GLU 66 HG2 GLU 66 -17.190 -10.362 7.812 512 HG3 GLU 66 HG3 GLU 66 -18.792 -9.910 7.236 513 H LYS 67 H LYS 67 -14.651 -7.522 5.626 514 HA LYS 67 HA LYS 67 -14.916 -6.804 2.895 515 HB2 LYS 67 HB2 LYS 67 -13.616 -5.671 5.343 516 HB3 LYS 67 HB3 LYS 67 -13.486 -4.865 3.766 517 HG2 LYS 67 HG2 LYS 67 -16.070 -5.487 5.200 518 HG3 LYS 67 HG3 LYS 67 -15.240 -3.930 5.262 519 HD2 LYS 67 HD2 LYS 67 -15.432 -3.784 2.792 520 HD3 LYS 67 HD3 LYS 67 -16.368 -5.277 2.807 521 HE2 LYS 67 HE2 LYS 67 -17.126 -2.737 4.247 522 HE3 LYS 67 HE3 LYS 67 -17.780 -3.252 2.695 523 HZ1 LYS 67 HZ1 LYS 67 -18.672 -5.222 3.774 524 HZ2 LYS 67 HZ2 LYS 67 -19.262 -3.818 4.493 525 HZ3 LYS 67 HZ3 LYS 67 -18.060 -4.717 5.266 526 H ARG 68 H ARG 68 -12.632 -8.208 5.020 527 HA ARG 68 HA ARG 68 -10.252 -7.749 3.608 528 HB2 ARG 68 HB2 ARG 68 -10.854 -8.561 6.071 529 HB3 ARG 68 HB3 ARG 68 -10.685 -10.144 5.333 530 HG2 ARG 68 HG2 ARG 68 -8.440 -8.597 4.567 531 HG3 ARG 68 HG3 ARG 68 -8.667 -8.403 6.297 532 HD2 ARG 68 HD2 ARG 68 -7.291 -10.273 6.156 533 HD3 ARG 68 HD3 ARG 68 -8.898 -10.958 6.373 534 HE ARG 68 HE ARG 68 -7.966 -10.671 3.628 535 HH11 ARG 68 HH11 ARG 68 -8.382 -12.782 6.397 536 HH12 ARG 68 HH12 ARG 68 -8.183 -14.238 5.489 537 HH21 ARG 68 HH21 ARG 68 -7.669 -12.621 2.412 538 HH22 ARG 68 HH22 ARG 68 -7.787 -14.145 3.214 539 H ASP 69 H ASP 69 -12.584 -10.414 3.832 540 HA ASP 69 HA ASP 69 -11.240 -12.113 1.995 541 HB2 ASP 69 HB2 ASP 69 -12.814 -12.981 3.658 542 HB3 ASP 69 HB3 ASP 69 -14.131 -12.122 2.864 543 H ILE 70 H ILE 70 -13.817 -9.786 1.765 544 HA ILE 70 HA ILE 70 -14.545 -10.215 -0.911 545 HB ILE 70 HB ILE 70 -14.676 -7.844 0.910 546 HG12 ILE 70 HG12 ILE 70 -16.187 -9.666 1.427 547 HG13 ILE 70 HG13 ILE 70 -17.099 -8.271 0.867 548 HG21 ILE 70 HG21 ILE 70 -14.464 -6.943 -1.361 549 HG22 ILE 70 HG22 ILE 70 -16.100 -6.686 -0.759 550 HG23 ILE 70 HG23 ILE 70 -15.779 -7.979 -1.916 551 HD11 ILE 70 HD11 ILE 70 -17.282 -9.331 -1.355 552 HD12 ILE 70 HD12 ILE 70 -18.031 -10.272 -0.068 553 HD13 ILE 70 HD13 ILE 70 -16.464 -10.756 -0.711 554 H TYR 71 H TYR 71 -12.247 -7.928 0.549 555 HA TYR 71 HA TYR 71 -11.322 -6.957 -1.949 556 HB2 TYR 71 HB2 TYR 71 -10.923 -5.754 0.184 557 HB3 TYR 71 HB3 TYR 71 -9.782 -7.014 0.655 558 HD1 TYR 71 HD1 TYR 71 -10.399 -4.267 -1.722 559 HD2 TYR 71 HD2 TYR 71 -7.563 -7.081 -0.260 560 HE1 TYR 71 HE1 TYR 71 -8.615 -3.094 -2.941 561 HE2 TYR 71 HE2 TYR 71 -5.771 -5.913 -1.469 562 HH TYR 71 HH TYR 71 -5.767 -4.348 -3.676 563 H ASP 72 H ASP 72 -10.335 -9.630 0.074 564 HA ASP 72 HA ASP 72 -7.865 -10.240 -1.033 565 HB2 ASP 72 HB2 ASP 72 -8.839 -11.124 1.079 566 HB3 ASP 72 HB3 ASP 72 -9.901 -12.145 0.120 567 H GLN 73 H GLN 73 -11.099 -11.499 -1.935 568 HA GLN 73 HA GLN 73 -9.895 -13.109 -4.033 569 HB2 GLN 73 HB2 GLN 73 -12.776 -12.789 -3.228 570 HB3 GLN 73 HB3 GLN 73 -12.177 -13.922 -4.430 571 HG2 GLN 73 HG2 GLN 73 -10.846 -15.032 -2.711 572 HG3 GLN 73 HG3 GLN 73 -11.466 -13.897 -1.514 573 HE21 GLN 73 HE21 GLN 73 -13.582 -14.032 -0.875 574 HE22 GLN 73 HE22 GLN 73 -14.550 -15.438 -1.161 575 H PHE 74 H PHE 74 -11.850 -10.197 -3.782 576 HA PHE 74 HA PHE 74 -12.220 -10.133 -6.667 577 HB2 PHE 74 HB2 PHE 74 -13.180 -8.269 -4.492 578 HB3 PHE 74 HB3 PHE 74 -13.523 -8.049 -6.204 579 HD1 PHE 74 HD1 PHE 74 -14.305 -9.957 -3.198 580 HD2 PHE 74 HD2 PHE 74 -15.031 -9.568 -7.368 581 HE1 PHE 74 HE1 PHE 74 -16.287 -11.394 -2.980 582 HE2 PHE 74 HE2 PHE 74 -17.016 -11.004 -7.157 583 HZ PHE 74 HZ PHE 74 -17.646 -11.919 -4.961 584 H GLY 75 H GLY 75 -9.808 -9.308 -4.639 585 HA2 GLY 75 HA2 GLY 75 -9.034 -6.835 -5.963 586 HA3 GLY 75 HA3 GLY 75 -8.165 -7.644 -4.664 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 12.854 3.832 -14.680 2 H2 GLY 1 HT2 GLY 1 13.276 4.686 -13.284 3 H3 GLY 1 HT3 GLY 1 14.244 4.793 -14.663 4 HA2 GLY 1 HA3 GLY 1 12.884 6.774 -14.350 5 HA3 GLY 1 HA2 GLY 1 12.543 5.942 -15.860 6 H GLU 2 H GLU 2 10.813 4.165 -15.562 7 HA GLU 2 HA GLU 2 8.452 5.494 -14.605 8 HB2 GLU 2 HB2 GLU 2 8.852 2.778 -15.869 9 HB3 GLU 2 HB3 GLU 2 7.289 3.507 -15.527 10 HG2 GLU 2 HG2 GLU 2 9.376 4.603 -17.395 11 HG3 GLU 2 HG3 GLU 2 7.900 3.761 -17.866 12 H PHE 3 H PHE 3 7.001 4.678 -13.061 13 HA PHE 3 HA PHE 3 8.119 3.638 -10.709 14 HB2 PHE 3 HB2 PHE 3 6.074 4.977 -10.685 15 HB3 PHE 3 HB3 PHE 3 5.221 3.735 -11.592 16 HD1 PHE 3 HD1 PHE 3 6.866 4.460 -8.356 17 HD2 PHE 3 HD2 PHE 3 4.180 1.938 -10.488 18 HE1 PHE 3 HE1 PHE 3 6.174 3.411 -6.240 19 HE2 PHE 3 HE2 PHE 3 3.486 0.884 -8.377 20 HZ PHE 3 HZ PHE 3 4.483 1.622 -6.249 21 H GLY 4 H GLY 4 6.172 2.110 -13.227 22 HA2 GLY 4 HA2 GLY 4 6.851 -0.157 -13.892 23 HA3 GLY 4 HA3 GLY 4 7.018 -0.511 -12.176 24 H SER 5 H SER 5 5.446 -2.176 -13.566 25 HA SER 5 HA SER 5 2.799 -1.438 -12.589 26 HB2 SER 5 HB2 SER 5 1.764 -2.324 -14.661 27 HB3 SER 5 HB3 SER 5 2.760 -0.899 -14.958 28 HG SER 5 HG SER 5 4.286 -2.133 -15.897 29 H MET 6 H MET 6 1.521 -3.138 -11.937 30 HA MET 6 HA MET 6 2.119 -5.871 -12.370 31 HB2 MET 6 HB2 MET 6 2.821 -6.514 -10.142 32 HB3 MET 6 HB3 MET 6 3.953 -5.324 -10.764 33 HG2 MET 6 HG2 MET 6 2.863 -3.584 -9.440 34 HG3 MET 6 HG3 MET 6 1.720 -4.773 -8.819 35 HE1 MET 6 HE1 MET 6 3.974 -7.082 -6.647 36 HE2 MET 6 HE2 MET 6 3.427 -7.316 -8.304 37 HE3 MET 6 HE3 MET 6 2.321 -6.666 -7.096 38 H VAL 7 H VAL 7 0.562 -7.251 -11.157 39 HA VAL 7 HA VAL 7 -1.927 -5.925 -10.781 40 HB VAL 7 HB VAL 7 -1.088 -8.775 -10.147 41 HG11 VAL 7 HG11 VAL 7 -3.476 -9.294 -10.090 42 HG12 VAL 7 HG12 VAL 7 -3.858 -7.591 -10.337 43 HG13 VAL 7 HG13 VAL 7 -3.055 -8.107 -8.854 44 HG21 VAL 7 HG21 VAL 7 -0.904 -8.235 -12.523 45 HG22 VAL 7 HG22 VAL 7 -2.569 -7.652 -12.526 46 HG23 VAL 7 HG23 VAL 7 -2.233 -9.359 -12.232 47 H LYS 8 H LYS 8 -2.541 -4.937 -8.984 48 HA LYS 8 HA LYS 8 -0.942 -5.103 -6.605 49 HB2 LYS 8 HB2 LYS 8 -3.517 -3.653 -7.222 50 HB3 LYS 8 HB3 LYS 8 -2.675 -3.532 -5.685 51 HG2 LYS 8 HG2 LYS 8 -0.787 -2.500 -6.711 52 HG3 LYS 8 HG3 LYS 8 -1.422 -2.822 -8.325 53 HD2 LYS 8 HD2 LYS 8 -1.783 -0.499 -7.736 54 HD3 LYS 8 HD3 LYS 8 -3.325 -1.342 -7.852 55 HE2 LYS 8 HE2 LYS 8 -3.389 -1.554 -5.412 56 HE3 LYS 8 HE3 LYS 8 -1.836 -0.727 -5.300 57 HZ1 LYS 8 HZ1 LYS 8 -2.860 1.224 -6.297 58 HZ2 LYS 8 HZ2 LYS 8 -3.638 0.791 -4.870 59 HZ3 LYS 8 HZ3 LYS 8 -4.355 0.435 -6.362 60 H GLU 9 H GLU 9 -1.073 -7.014 -5.579 61 HA GLU 9 HA GLU 9 -3.690 -7.814 -4.575 62 HB2 GLU 9 HB2 GLU 9 -3.079 -9.141 -6.570 63 HB3 GLU 9 HB3 GLU 9 -1.569 -9.586 -5.799 64 HG2 GLU 9 HG2 GLU 9 -2.798 -10.787 -4.082 65 HG3 GLU 9 HG3 GLU 9 -4.320 -10.325 -4.849 66 H THR 10 H THR 10 -3.635 -8.450 -2.471 67 HA THR 10 HA THR 10 -2.983 -8.703 -0.361 68 HB THR 10 HB THR 10 -0.937 -10.031 0.170 69 HG1 THR 10 HG1 THR 10 -0.287 -9.309 -2.387 70 HG21 THR 10 HG21 THR 10 -3.022 -11.173 -0.348 71 HG22 THR 10 HG22 THR 10 -1.652 -12.089 -0.975 72 HG23 THR 10 HG23 THR 10 -2.643 -11.125 -2.069 73 H LYS 11 H LYS 11 -1.861 -6.469 -2.084 74 HA LYS 11 HA LYS 11 0.442 -5.359 -0.946 75 HB2 LYS 11 HB2 LYS 11 -1.934 -4.022 -2.186 76 HB3 LYS 11 HB3 LYS 11 -0.484 -3.158 -1.698 77 HG2 LYS 11 HG2 LYS 11 -0.518 -5.440 -3.635 78 HG3 LYS 11 HG3 LYS 11 -0.609 -3.731 -4.063 79 HD2 LYS 11 HD2 LYS 11 1.551 -3.351 -2.918 80 HD3 LYS 11 HD3 LYS 11 1.634 -5.070 -2.540 81 HE2 LYS 11 HE2 LYS 11 1.685 -5.582 -4.933 82 HE3 LYS 11 HE3 LYS 11 1.616 -3.858 -5.299 83 HZ1 LYS 11 HZ1 LYS 11 3.876 -4.647 -5.406 84 HZ2 LYS 11 HZ2 LYS 11 3.787 -5.248 -3.828 85 HZ3 LYS 11 HZ3 LYS 11 3.717 -3.580 -4.105 86 H PHE 12 H PHE 12 -2.857 -5.160 0.027 87 HA PHE 12 HA PHE 12 -2.382 -3.109 1.943 88 HB2 PHE 12 HB2 PHE 12 -4.735 -4.855 1.383 89 HB3 PHE 12 HB3 PHE 12 -4.669 -3.928 2.884 90 HD1 PHE 12 HD1 PHE 12 -5.972 -3.833 -0.289 91 HD2 PHE 12 HD2 PHE 12 -3.721 -1.426 2.387 92 HE1 PHE 12 HE1 PHE 12 -6.753 -1.801 -1.448 93 HE2 PHE 12 HE2 PHE 12 -4.497 0.598 1.250 94 HZ PHE 12 HZ PHE 12 -6.011 0.425 -0.652 95 H TYR 13 H TYR 13 -2.244 -6.600 2.068 96 HA TYR 13 HA TYR 13 -2.099 -6.759 4.942 97 HB2 TYR 13 HB2 TYR 13 -0.988 -8.685 2.870 98 HB3 TYR 13 HB3 TYR 13 -1.175 -9.019 4.587 99 HD1 TYR 13 HD1 TYR 13 -2.661 -9.174 1.388 100 HD2 TYR 13 HD2 TYR 13 -3.593 -9.026 5.522 101 HE1 TYR 13 HE1 TYR 13 -4.883 -10.091 0.901 102 HE2 TYR 13 HE2 TYR 13 -5.833 -9.948 5.054 103 HH TYR 13 HH TYR 13 -6.644 -11.230 1.945 104 H ASP 14 H ASP 14 0.183 -6.681 2.271 105 HA ASP 14 HA ASP 14 2.598 -6.691 3.663 106 HB2 ASP 14 HB2 ASP 14 1.819 -5.446 1.048 107 HB3 ASP 14 HB3 ASP 14 3.460 -5.363 1.656 108 H ILE 15 H ILE 15 0.594 -3.942 2.705 109 HA ILE 15 HA ILE 15 2.309 -1.935 3.576 110 HB ILE 15 HB ILE 15 -0.653 -2.076 3.191 111 HG12 ILE 15 HG12 ILE 15 1.461 -0.572 1.645 112 HG13 ILE 15 HG13 ILE 15 0.876 -2.202 1.240 113 HG21 ILE 15 HG21 ILE 15 0.944 0.390 3.923 114 HG22 ILE 15 HG22 ILE 15 -0.299 -0.376 4.910 115 HG23 ILE 15 HG23 ILE 15 -0.735 0.397 3.387 116 HD11 ILE 15 HD11 ILE 15 -0.182 -0.517 -0.141 117 HD12 ILE 15 HD12 ILE 15 -0.761 0.325 1.294 118 HD13 ILE 15 HD13 ILE 15 -1.369 -1.284 0.912 119 H LEU 16 H LEU 16 -0.466 -3.346 5.324 120 HA LEU 16 HA LEU 16 0.158 -2.064 7.743 121 HB2 LEU 16 HB2 LEU 16 -1.420 -4.565 7.239 122 HB3 LEU 16 HB3 LEU 16 -1.244 -3.864 8.835 123 HG LEU 16 HG LEU 16 -2.540 -2.519 6.457 124 HD11 LEU 16 HD11 LEU 16 -3.757 -3.670 8.959 125 HD12 LEU 16 HD12 LEU 16 -3.822 -4.405 7.359 126 HD13 LEU 16 HD13 LEU 16 -4.616 -2.858 7.650 127 HD21 LEU 16 HD21 LEU 16 -1.502 -0.894 7.936 128 HD22 LEU 16 HD22 LEU 16 -2.265 -1.649 9.334 129 HD23 LEU 16 HD23 LEU 16 -3.256 -0.845 8.117 130 H GLY 17 H GLY 17 1.513 -4.930 6.347 131 HA2 GLY 17 HA2 GLY 17 3.497 -5.953 7.069 132 HA3 GLY 17 HA3 GLY 17 3.363 -5.083 8.594 133 H VAL 18 H VAL 18 0.639 -6.677 7.323 134 HA VAL 18 HA VAL 18 0.805 -8.729 9.432 135 HB VAL 18 HB VAL 18 -1.646 -8.932 9.221 136 HG11 VAL 18 HG11 VAL 18 -0.698 -7.459 10.888 137 HG12 VAL 18 HG12 VAL 18 -2.225 -6.832 10.275 138 HG13 VAL 18 HG13 VAL 18 -0.704 -6.131 9.729 139 HG21 VAL 18 HG21 VAL 18 -1.396 -6.610 7.311 140 HG22 VAL 18 HG22 VAL 18 -2.911 -7.226 7.970 141 HG23 VAL 18 HG23 VAL 18 -1.932 -8.242 6.912 142 HA PRO 19 HA PRO 19 0.876 -11.867 6.272 143 HB2 PRO 19 HB2 PRO 19 -0.556 -13.839 7.456 144 HB3 PRO 19 HB3 PRO 19 1.085 -13.432 7.974 145 HG2 PRO 19 HG2 PRO 19 -1.536 -12.582 9.145 146 HG3 PRO 19 HG3 PRO 19 -0.091 -13.190 9.978 147 HD2 PRO 19 HD2 PRO 19 -0.654 -10.568 9.860 148 HD3 PRO 19 HD3 PRO 19 1.018 -11.156 9.784 149 H VAL 20 H VAL 20 -0.553 -12.917 4.720 150 HA VAL 20 HA VAL 20 -2.929 -11.594 4.136 151 HB VAL 20 HB VAL 20 -2.036 -14.392 3.368 152 HG11 VAL 20 HG11 VAL 20 -4.444 -14.157 3.117 153 HG12 VAL 20 HG12 VAL 20 -3.642 -14.269 1.551 154 HG13 VAL 20 HG13 VAL 20 -4.206 -12.707 2.143 155 HG21 VAL 20 HG21 VAL 20 -1.366 -13.349 1.251 156 HG22 VAL 20 HG22 VAL 20 -0.500 -12.660 2.625 157 HG23 VAL 20 HG23 VAL 20 -1.834 -11.773 1.888 158 H THR 21 H THR 21 -2.158 -14.374 6.049 159 HA THR 21 HA THR 21 -4.872 -15.240 6.570 160 HB THR 21 HB THR 21 -2.416 -16.105 8.099 161 HG1 THR 21 HG1 THR 21 -3.268 -17.141 5.574 162 HG21 THR 21 HG21 THR 21 -4.588 -16.983 8.848 163 HG22 THR 21 HG22 THR 21 -3.591 -18.268 8.166 164 HG23 THR 21 HG23 THR 21 -4.912 -17.583 7.223 165 H ALA 22 H ALA 22 -3.721 -12.475 7.437 166 HA ALA 22 HA ALA 22 -3.317 -12.398 10.197 167 HB1 ALA 22 HB1 ALA 22 -2.683 -10.614 8.634 168 HB2 ALA 22 HB2 ALA 22 -3.565 -10.027 10.044 169 HB3 ALA 22 HB3 ALA 22 -4.384 -10.173 8.489 170 H THR 23 H THR 23 -4.507 -11.851 11.889 171 HA THR 23 HA THR 23 -7.400 -12.206 11.693 172 HB THR 23 HB THR 23 -7.272 -12.398 14.183 173 HG1 THR 23 HG1 THR 23 -4.446 -12.383 13.797 174 HG21 THR 23 HG21 THR 23 -6.109 -14.568 14.246 175 HG22 THR 23 HG22 THR 23 -5.377 -14.216 12.681 176 HG23 THR 23 HG23 THR 23 -7.123 -14.425 12.811 177 H ASP 24 H ASP 24 -8.676 -10.709 13.236 178 HA ASP 24 HA ASP 24 -8.485 -8.067 12.410 179 HB2 ASP 24 HB2 ASP 24 -9.780 -9.190 14.904 180 HB3 ASP 24 HB3 ASP 24 -10.015 -7.555 14.292 181 H VAL 25 H VAL 25 -7.262 -9.603 15.348 182 HA VAL 25 HA VAL 25 -6.511 -7.217 16.652 183 HB VAL 25 HB VAL 25 -5.575 -10.064 17.016 184 HG11 VAL 25 HG11 VAL 25 -5.070 -7.660 18.772 185 HG12 VAL 25 HG12 VAL 25 -3.861 -8.566 17.865 186 HG13 VAL 25 HG13 VAL 25 -4.709 -9.329 19.208 187 HG21 VAL 25 HG21 VAL 25 -7.929 -9.733 17.495 188 HG22 VAL 25 HG22 VAL 25 -7.546 -8.378 18.555 189 HG23 VAL 25 HG23 VAL 25 -7.041 -10.008 18.994 190 H GLU 26 H GLU 26 -4.788 -9.466 14.545 191 HA GLU 26 HA GLU 26 -2.202 -8.258 14.764 192 HB2 GLU 26 HB2 GLU 26 -3.456 -9.975 12.619 193 HB3 GLU 26 HB3 GLU 26 -1.769 -9.466 12.598 194 HG2 GLU 26 HG2 GLU 26 -1.333 -10.668 14.630 195 HG3 GLU 26 HG3 GLU 26 -3.041 -11.079 14.792 196 H ILE 27 H ILE 27 -4.931 -7.891 12.652 197 HA ILE 27 HA ILE 27 -3.842 -6.045 10.860 198 HB ILE 27 HB ILE 27 -6.674 -6.680 11.690 199 HG12 ILE 27 HG12 ILE 27 -5.205 -7.200 9.097 200 HG13 ILE 27 HG13 ILE 27 -5.281 -8.346 10.429 201 HG21 ILE 27 HG21 ILE 27 -7.432 -5.355 9.750 202 HG22 ILE 27 HG22 ILE 27 -5.777 -4.811 9.475 203 HG23 ILE 27 HG23 ILE 27 -6.627 -4.338 10.947 204 HD11 ILE 27 HD11 ILE 27 -6.896 -8.863 8.683 205 HD12 ILE 27 HD12 ILE 27 -7.640 -7.278 8.899 206 HD13 ILE 27 HD13 ILE 27 -7.694 -8.464 10.203 207 H LYS 28 H LYS 28 -5.696 -5.552 13.860 208 HA LYS 28 HA LYS 28 -5.734 -2.737 13.641 209 HB2 LYS 28 HB2 LYS 28 -6.122 -4.539 16.002 210 HB3 LYS 28 HB3 LYS 28 -6.297 -2.793 16.079 211 HG2 LYS 28 HG2 LYS 28 -8.067 -2.918 14.392 212 HG3 LYS 28 HG3 LYS 28 -7.906 -4.677 14.385 213 HD2 LYS 28 HD2 LYS 28 -8.425 -4.713 16.758 214 HD3 LYS 28 HD3 LYS 28 -8.581 -2.952 16.725 215 HE2 LYS 28 HE2 LYS 28 -10.428 -3.127 15.136 216 HE3 LYS 28 HE3 LYS 28 -10.262 -4.881 15.118 217 HZ1 LYS 28 HZ1 LYS 28 -11.012 -3.248 17.481 218 HZ2 LYS 28 HZ2 LYS 28 -10.872 -4.929 17.453 219 HZ3 LYS 28 HZ3 LYS 28 -12.072 -4.169 16.543 220 H LYS 29 H LYS 29 -3.525 -4.926 15.334 221 HA LYS 29 HA LYS 29 -2.139 -2.845 16.646 222 HB2 LYS 29 HB2 LYS 29 -0.356 -4.493 17.054 223 HB3 LYS 29 HB3 LYS 29 -1.946 -5.131 17.441 224 HG2 LYS 29 HG2 LYS 29 -1.990 -6.357 15.364 225 HG3 LYS 29 HG3 LYS 29 -0.427 -5.689 14.903 226 HD2 LYS 29 HD2 LYS 29 -0.092 -7.892 15.760 227 HD3 LYS 29 HD3 LYS 29 0.539 -6.740 16.939 228 HE2 LYS 29 HE2 LYS 29 -1.511 -6.962 18.249 229 HE3 LYS 29 HE3 LYS 29 -2.149 -8.091 17.056 230 HZ1 LYS 29 HZ1 LYS 29 -1.264 -9.286 18.905 231 HZ2 LYS 29 HZ2 LYS 29 0.224 -8.491 18.778 232 HZ3 LYS 29 HZ3 LYS 29 -0.266 -9.561 17.566 233 H ALA 30 H ALA 30 -1.635 -4.465 13.597 234 HA ALA 30 HA ALA 30 0.693 -3.159 12.843 235 HB1 ALA 30 HB1 ALA 30 0.106 -3.805 10.582 236 HB2 ALA 30 HB2 ALA 30 -1.532 -4.194 11.110 237 HB3 ALA 30 HB3 ALA 30 -0.164 -5.132 11.710 238 H TYR 31 H TYR 31 -2.739 -2.330 12.471 239 HA TYR 31 HA TYR 31 -2.266 -0.034 10.920 240 HB2 TYR 31 HB2 TYR 31 -4.473 -0.906 10.899 241 HB3 TYR 31 HB3 TYR 31 -4.589 -0.837 12.661 242 HD1 TYR 31 HD1 TYR 31 -4.095 1.397 9.703 243 HD2 TYR 31 HD2 TYR 31 -5.616 0.991 13.655 244 HE1 TYR 31 HE1 TYR 31 -5.049 3.658 9.565 245 HE2 TYR 31 HE2 TYR 31 -6.577 3.242 13.523 246 HH TYR 31 HH TYR 31 -6.227 5.315 12.294 247 H ARG 32 H ARG 32 -2.844 -0.484 14.418 248 HA ARG 32 HA ARG 32 -2.543 2.232 14.982 249 HB2 ARG 32 HB2 ARG 32 -2.283 1.679 17.301 250 HB3 ARG 32 HB3 ARG 32 -3.517 0.657 16.585 251 HG2 ARG 32 HG2 ARG 32 -1.937 -1.137 16.416 252 HG3 ARG 32 HG3 ARG 32 -0.679 -0.149 17.129 253 HD2 ARG 32 HD2 ARG 32 -1.598 -1.530 18.862 254 HD3 ARG 32 HD3 ARG 32 -2.119 0.138 19.127 255 HE ARG 32 HE ARG 32 -4.068 -1.169 17.599 256 HH11 ARG 32 HH11 ARG 32 -2.771 -1.284 20.855 257 HH12 ARG 32 HH12 ARG 32 -4.254 -1.814 21.564 258 HH21 ARG 32 HH21 ARG 32 -6.017 -1.852 18.522 259 HH22 ARG 32 HH22 ARG 32 -6.124 -2.150 20.220 260 H LYS 33 H LYS 33 -0.082 -0.305 14.802 261 HA LYS 33 HA LYS 33 2.018 1.452 15.709 262 HB2 LYS 33 HB2 LYS 33 3.547 -0.266 15.235 263 HB3 LYS 33 HB3 LYS 33 2.092 -1.105 15.738 264 HG2 LYS 33 HG2 LYS 33 1.587 -1.271 13.219 265 HG3 LYS 33 HG3 LYS 33 3.296 -0.840 13.037 266 HD2 LYS 33 HD2 LYS 33 2.325 -3.155 14.724 267 HD3 LYS 33 HD3 LYS 33 2.802 -3.328 13.039 268 HE2 LYS 33 HE2 LYS 33 4.583 -2.244 15.214 269 HE3 LYS 33 HE3 LYS 33 4.577 -3.923 14.678 270 HZ1 LYS 33 HZ1 LYS 33 5.176 -1.582 12.955 271 HZ2 LYS 33 HZ2 LYS 33 5.226 -3.201 12.481 272 HZ3 LYS 33 HZ3 LYS 33 6.326 -2.621 13.627 273 H CYS 34 H CYS 34 0.882 0.519 12.483 274 HA CYS 34 HA CYS 34 2.884 2.018 11.155 275 HB2 CYS 34 HB2 CYS 34 0.128 1.162 10.270 276 HB3 CYS 34 HB3 CYS 34 1.264 1.995 9.209 277 HG CYS 34 HG CYS 34 1.224 -1.196 10.236 278 H ALA 35 H ALA 35 -0.378 2.876 12.234 279 HA ALA 35 HA ALA 35 -0.348 5.497 11.153 280 HB1 ALA 35 HB1 ALA 35 -2.302 5.883 12.578 281 HB2 ALA 35 HB2 ALA 35 -1.995 4.360 13.411 282 HB3 ALA 35 HB3 ALA 35 -2.427 4.358 11.701 283 H LEU 36 H LEU 36 0.207 4.294 14.444 284 HA LEU 36 HA LEU 36 0.734 6.813 15.581 285 HB2 LEU 36 HB2 LEU 36 1.721 4.098 16.440 286 HB3 LEU 36 HB3 LEU 36 1.940 5.560 17.376 287 HG LEU 36 HG LEU 36 -0.712 4.278 16.691 288 HD11 LEU 36 HD11 LEU 36 0.532 3.014 18.322 289 HD12 LEU 36 HD12 LEU 36 -0.853 3.814 19.066 290 HD13 LEU 36 HD13 LEU 36 0.769 4.467 19.295 291 HD21 LEU 36 HD21 LEU 36 -1.667 5.958 18.206 292 HD22 LEU 36 HD22 LEU 36 -0.922 6.702 16.795 293 HD23 LEU 36 HD23 LEU 36 -0.085 6.724 18.347 294 H LYS 37 H LYS 37 2.870 4.478 14.089 295 HA LYS 37 HA LYS 37 5.272 5.819 14.669 296 HB2 LYS 37 HB2 LYS 37 4.536 3.799 12.571 297 HB3 LYS 37 HB3 LYS 37 6.176 4.421 12.763 298 HG2 LYS 37 HG2 LYS 37 6.314 3.464 14.977 299 HG3 LYS 37 HG3 LYS 37 4.609 3.014 14.923 300 HD2 LYS 37 HD2 LYS 37 5.955 1.085 14.498 301 HD3 LYS 37 HD3 LYS 37 5.097 1.536 13.029 302 HE2 LYS 37 HE2 LYS 37 7.113 2.659 12.178 303 HE3 LYS 37 HE3 LYS 37 7.976 2.237 13.651 304 HZ1 LYS 37 HZ1 LYS 37 7.717 -0.101 13.074 305 HZ2 LYS 37 HZ2 LYS 37 8.527 0.743 11.860 306 HZ3 LYS 37 HZ3 LYS 37 6.909 0.321 11.647 307 H TYR 38 H TYR 38 3.055 6.102 11.852 308 HA TYR 38 HA TYR 38 4.797 8.303 10.834 309 HB2 TYR 38 HB2 TYR 38 3.208 6.254 9.283 310 HB3 TYR 38 HB3 TYR 38 4.159 7.541 8.558 311 HD1 TYR 38 HD1 TYR 38 4.212 4.303 10.202 312 HD2 TYR 38 HD2 TYR 38 6.647 7.431 8.663 313 HE1 TYR 38 HE1 TYR 38 6.149 2.807 10.269 314 HE2 TYR 38 HE2 TYR 38 8.603 5.935 8.723 315 HH TYR 38 HH TYR 38 9.365 3.920 9.799 316 H HIS 39 H HIS 39 2.076 8.315 12.423 317 HA HIS 39 HA HIS 39 0.156 9.374 10.669 318 HB2 HIS 39 HB2 HIS 39 -0.952 10.343 12.686 319 HB3 HIS 39 HB3 HIS 39 -0.562 8.636 12.842 320 HD2 HIS 39 HD2 HIS 39 2.704 9.767 13.742 321 HE1 HIS 39 HE1 HIS 39 0.502 10.578 17.265 322 HE2 HIS 39 HE2 HIS 39 2.744 10.004 16.316 323 HA PRO 40 HA PRO 40 1.808 13.256 9.439 324 HB2 PRO 40 HB2 PRO 40 -0.554 14.436 8.690 325 HB3 PRO 40 HB3 PRO 40 0.315 13.249 7.707 326 HG2 PRO 40 HG2 PRO 40 -2.007 12.846 9.556 327 HG3 PRO 40 HG3 PRO 40 -1.746 12.187 7.930 328 HD2 PRO 40 HD2 PRO 40 -1.317 10.699 10.100 329 HD3 PRO 40 HD3 PRO 40 -0.249 10.584 8.685 330 H ASP 41 H ASP 41 -0.634 12.999 11.887 331 HA ASP 41 HA ASP 41 -0.840 15.708 12.617 332 HB2 ASP 41 HB2 ASP 41 -1.300 13.179 14.190 333 HB3 ASP 41 HB3 ASP 41 -1.549 14.776 14.884 334 H LYS 42 H LYS 42 1.690 13.411 13.152 335 HA LYS 42 HA LYS 42 3.024 15.375 14.866 336 HB2 LYS 42 HB2 LYS 42 3.124 12.372 15.232 337 HB3 LYS 42 HB3 LYS 42 4.083 13.534 16.137 338 HG2 LYS 42 HG2 LYS 42 1.075 13.335 16.172 339 HG3 LYS 42 HG3 LYS 42 2.165 12.729 17.421 340 HD2 LYS 42 HD2 LYS 42 2.971 15.019 17.805 341 HD3 LYS 42 HD3 LYS 42 1.851 15.611 16.577 342 HE2 LYS 42 HE2 LYS 42 -0.031 14.762 17.914 343 HE3 LYS 42 HE3 LYS 42 1.105 14.218 19.147 344 HZ1 LYS 42 HZ1 LYS 42 1.804 16.531 19.438 345 HZ2 LYS 42 HZ2 LYS 42 0.157 16.332 19.753 346 HZ3 LYS 42 HZ3 LYS 42 0.658 17.024 18.298 347 H ASN 43 H ASN 43 3.173 12.954 12.385 348 HA ASN 43 HA ASN 43 6.006 13.460 11.914 349 HB2 ASN 43 HB2 ASN 43 4.165 11.308 10.906 350 HB3 ASN 43 HB3 ASN 43 5.889 11.429 10.554 351 HD21 ASN 43 HD21 ASN 43 4.149 9.523 12.103 352 HD22 ASN 43 HD22 ASN 43 4.996 9.315 13.594 353 HA PRO 44 HA PRO 44 4.259 16.154 8.783 354 HB2 PRO 44 HB2 PRO 44 6.495 17.520 8.242 355 HB3 PRO 44 HB3 PRO 44 5.592 17.753 9.743 356 HG2 PRO 44 HG2 PRO 44 8.050 16.111 9.257 357 HG3 PRO 44 HG3 PRO 44 7.708 17.239 10.581 358 HD2 PRO 44 HD2 PRO 44 7.428 14.544 10.813 359 HD3 PRO 44 HD3 PRO 44 6.423 15.714 11.724 360 H SER 45 H SER 45 6.646 13.725 8.294 361 HA SER 45 HA SER 45 7.471 14.312 5.669 362 HB2 SER 45 HB2 SER 45 7.087 11.527 6.549 363 HB3 SER 45 HB3 SER 45 8.424 12.234 5.661 364 HG SER 45 HG SER 45 9.072 13.313 7.580 365 H GLU 46 H GLU 46 6.590 14.031 3.812 366 HA GLU 46 HA GLU 46 3.831 13.652 3.522 367 HB2 GLU 46 HB2 GLU 46 6.029 13.526 1.475 368 HB3 GLU 46 HB3 GLU 46 4.330 13.409 1.058 369 HG2 GLU 46 HG2 GLU 46 3.978 15.644 2.041 370 HG3 GLU 46 HG3 GLU 46 5.715 15.751 2.334 371 H GLU 47 H GLU 47 6.539 11.495 3.011 372 HA GLU 47 HA GLU 47 5.187 9.287 1.908 373 HB2 GLU 47 HB2 GLU 47 7.635 9.514 3.622 374 HB3 GLU 47 HB3 GLU 47 7.138 8.013 2.853 375 HG2 GLU 47 HG2 GLU 47 7.868 10.555 1.413 376 HG3 GLU 47 HG3 GLU 47 8.918 9.156 1.614 377 H ALA 48 H ALA 48 5.898 10.263 5.166 378 HA ALA 48 HA ALA 48 4.981 7.966 6.507 379 HB1 ALA 48 HB1 ALA 48 6.386 9.621 7.624 380 HB2 ALA 48 HB2 ALA 48 4.879 9.400 8.514 381 HB3 ALA 48 HB3 ALA 48 5.099 10.816 7.488 382 H ALA 49 H ALA 49 3.511 10.922 5.628 383 HA ALA 49 HA ALA 49 0.943 10.427 6.678 384 HB1 ALA 49 HB1 ALA 49 1.725 12.663 6.025 385 HB2 ALA 49 HB2 ALA 49 0.183 12.251 5.279 386 HB3 ALA 49 HB3 ALA 49 1.670 12.172 4.332 387 H GLU 50 H GLU 50 2.410 9.782 3.546 388 HA GLU 50 HA GLU 50 0.143 8.816 2.192 389 HB2 GLU 50 HB2 GLU 50 3.014 7.909 1.887 390 HB3 GLU 50 HB3 GLU 50 1.726 7.651 0.723 391 HG2 GLU 50 HG2 GLU 50 1.537 10.173 0.610 392 HG3 GLU 50 HG3 GLU 50 3.068 10.202 1.515 393 H LYS 51 H LYS 51 2.562 7.249 4.169 394 HA LYS 51 HA LYS 51 1.654 4.605 3.972 395 HB2 LYS 51 HB2 LYS 51 3.144 6.065 6.142 396 HB3 LYS 51 HB3 LYS 51 2.821 4.335 6.199 397 HG2 LYS 51 HG2 LYS 51 4.136 3.958 4.245 398 HG3 LYS 51 HG3 LYS 51 4.305 5.692 3.964 399 HD2 LYS 51 HD2 LYS 51 6.328 4.769 4.959 400 HD3 LYS 51 HD3 LYS 51 5.542 5.911 6.056 401 HE2 LYS 51 HE2 LYS 51 6.303 3.960 7.266 402 HE3 LYS 51 HE3 LYS 51 4.547 4.033 7.292 403 HZ1 LYS 51 HZ1 LYS 51 6.218 2.304 5.533 404 HZ2 LYS 51 HZ2 LYS 51 4.532 2.390 5.473 405 HZ3 LYS 51 HZ3 LYS 51 5.295 1.794 6.850 406 H PHE 52 H PHE 52 0.859 7.182 6.228 407 HA PHE 52 HA PHE 52 -0.912 5.752 7.839 408 HB2 PHE 52 HB2 PHE 52 -0.137 7.967 8.484 409 HB3 PHE 52 HB3 PHE 52 -0.979 8.686 7.113 410 HD1 PHE 52 HD1 PHE 52 -1.462 6.983 10.347 411 HD2 PHE 52 HD2 PHE 52 -3.300 9.186 7.206 412 HE1 PHE 52 HE1 PHE 52 -3.492 7.242 11.716 413 HE2 PHE 52 HE2 PHE 52 -5.328 9.447 8.575 414 HZ PHE 52 HZ PHE 52 -5.424 8.475 10.829 415 H LYS 53 H LYS 53 -1.514 7.611 4.875 416 HA LYS 53 HA LYS 53 -4.295 7.254 4.732 417 HB2 LYS 53 HB2 LYS 53 -2.234 7.598 2.552 418 HB3 LYS 53 HB3 LYS 53 -3.962 7.611 2.257 419 HG2 LYS 53 HG2 LYS 53 -2.535 9.540 4.072 420 HG3 LYS 53 HG3 LYS 53 -2.929 9.862 2.378 421 HD2 LYS 53 HD2 LYS 53 -5.339 9.408 2.983 422 HD3 LYS 53 HD3 LYS 53 -4.829 9.403 4.672 423 HE2 LYS 53 HE2 LYS 53 -4.479 11.693 2.736 424 HE3 LYS 53 HE3 LYS 53 -5.724 11.587 3.976 425 HZ1 LYS 53 HZ1 LYS 53 -3.957 11.541 5.649 426 HZ2 LYS 53 HZ2 LYS 53 -3.923 12.952 4.729 427 HZ3 LYS 53 HZ3 LYS 53 -2.792 11.735 4.434 428 H GLU 54 H GLU 54 -1.650 5.288 3.440 429 HA GLU 54 HA GLU 54 -3.341 3.389 2.170 430 HB2 GLU 54 HB2 GLU 54 -0.457 3.240 3.018 431 HB3 GLU 54 HB3 GLU 54 -1.272 2.017 2.049 432 HG2 GLU 54 HG2 GLU 54 -1.713 3.633 0.318 433 HG3 GLU 54 HG3 GLU 54 -0.980 4.900 1.298 434 H ALA 55 H ALA 55 -1.801 3.535 5.328 435 HA ALA 55 HA ALA 55 -2.407 0.892 6.141 436 HB1 ALA 55 HB1 ALA 55 -1.957 3.345 7.845 437 HB2 ALA 55 HB2 ALA 55 -0.700 2.256 7.257 438 HB3 ALA 55 HB3 ALA 55 -1.908 1.671 8.402 439 H SER 56 H SER 56 -4.083 3.961 6.393 440 HA SER 56 HA SER 56 -6.154 2.969 8.029 441 HB2 SER 56 HB2 SER 56 -7.296 5.108 7.448 442 HB3 SER 56 HB3 SER 56 -5.669 5.316 8.088 443 HG SER 56 HG SER 56 -4.941 5.827 6.116 444 H ALA 57 H ALA 57 -5.814 3.340 4.494 445 HA ALA 57 HA ALA 57 -8.484 2.548 3.887 446 HB1 ALA 57 HB1 ALA 57 -5.978 2.236 2.215 447 HB2 ALA 57 HB2 ALA 57 -7.028 3.653 2.236 448 HB3 ALA 57 HB3 ALA 57 -7.635 2.115 1.623 449 H ALA 58 H ALA 58 -5.504 0.834 4.317 450 HA ALA 58 HA ALA 58 -6.318 -1.770 3.697 451 HB1 ALA 58 HB1 ALA 58 -4.342 -1.070 5.857 452 HB2 ALA 58 HB2 ALA 58 -3.956 -0.928 4.153 453 HB3 ALA 58 HB3 ALA 58 -4.367 -2.505 4.830 454 H TYR 59 H TYR 59 -6.328 0.075 6.682 455 HA TYR 59 HA TYR 59 -7.402 -1.876 8.369 456 HB2 TYR 59 HB2 TYR 59 -6.322 0.225 9.090 457 HB3 TYR 59 HB3 TYR 59 -7.714 1.127 8.511 458 HD1 TYR 59 HD1 TYR 59 -6.607 -1.398 10.963 459 HD2 TYR 59 HD2 TYR 59 -9.614 1.405 9.898 460 HE1 TYR 59 HE1 TYR 59 -7.615 -1.656 13.171 461 HE2 TYR 59 HE2 TYR 59 -10.642 1.148 12.118 462 HH TYR 59 HH TYR 59 -10.711 -0.548 13.908 463 H GLU 60 H GLU 60 -8.869 0.448 6.216 464 HA GLU 60 HA GLU 60 -11.485 0.321 7.105 465 HB2 GLU 60 HB2 GLU 60 -10.369 0.831 4.358 466 HB3 GLU 60 HB3 GLU 60 -12.077 0.993 4.739 467 HG2 GLU 60 HG2 GLU 60 -9.830 2.515 6.021 468 HG3 GLU 60 HG3 GLU 60 -10.916 3.126 4.774 469 H ILE 61 H ILE 61 -9.783 -1.732 4.760 470 HA ILE 61 HA ILE 61 -12.232 -3.322 4.480 471 HB ILE 61 HB ILE 61 -10.909 -4.626 2.789 472 HG12 ILE 61 HG12 ILE 61 -8.959 -2.326 3.045 473 HG13 ILE 61 HG13 ILE 61 -8.661 -3.967 3.604 474 HG21 ILE 61 HG21 ILE 61 -12.523 -2.948 2.125 475 HG22 ILE 61 HG22 ILE 61 -11.130 -2.900 1.044 476 HG23 ILE 61 HG23 ILE 61 -11.313 -1.678 2.302 477 HD11 ILE 61 HD11 ILE 61 -9.144 -3.141 0.756 478 HD12 ILE 61 HD12 ILE 61 -8.817 -4.780 1.320 479 HD13 ILE 61 HD13 ILE 61 -7.582 -3.530 1.477 480 H LEU 62 H LEU 62 -8.870 -3.798 5.389 481 HA LEU 62 HA LEU 62 -9.113 -6.489 6.032 482 HB2 LEU 62 HB2 LEU 62 -7.206 -4.389 6.933 483 HB3 LEU 62 HB3 LEU 62 -6.961 -6.115 7.244 484 HG LEU 62 HG LEU 62 -7.067 -4.720 4.569 485 HD11 LEU 62 HD11 LEU 62 -4.728 -5.466 4.380 486 HD12 LEU 62 HD12 LEU 62 -4.807 -6.050 6.043 487 HD13 LEU 62 HD13 LEU 62 -4.995 -4.329 5.698 488 HD21 LEU 62 HD21 LEU 62 -6.449 -6.923 3.620 489 HD22 LEU 62 HD22 LEU 62 -8.067 -6.887 4.316 490 HD23 LEU 62 HD23 LEU 62 -6.742 -7.649 5.200 491 H SER 63 H SER 63 -9.499 -3.633 8.170 492 HA SER 63 HA SER 63 -9.663 -5.183 10.564 493 HB2 SER 63 HB2 SER 63 -9.118 -2.722 10.449 494 HB3 SER 63 HB3 SER 63 -10.818 -2.432 10.107 495 HG SER 63 HG SER 63 -11.218 -3.634 12.123 496 H ASP 64 H ASP 64 -11.712 -5.016 8.005 497 HA ASP 64 HA ASP 64 -13.990 -5.810 9.661 498 HB2 ASP 64 HB2 ASP 64 -13.952 -4.441 6.970 499 HB3 ASP 64 HB3 ASP 64 -15.364 -5.318 7.540 500 HA PRO 65 HA PRO 65 -12.410 -9.727 8.182 501 HB2 PRO 65 HB2 PRO 65 -15.019 -10.503 9.397 502 HB3 PRO 65 HB3 PRO 65 -13.418 -11.233 9.598 503 HG2 PRO 65 HG2 PRO 65 -14.410 -9.685 11.477 504 HG3 PRO 65 HG3 PRO 65 -12.688 -9.548 11.043 505 HD2 PRO 65 HD2 PRO 65 -14.995 -7.767 10.368 506 HD3 PRO 65 HD3 PRO 65 -13.315 -7.331 10.726 507 H GLU 66 H GLU 66 -15.582 -8.426 7.551 508 HA GLU 66 HA GLU 66 -16.181 -10.491 5.603 509 HB2 GLU 66 HB2 GLU 66 -17.671 -7.940 6.238 510 HB3 GLU 66 HB3 GLU 66 -18.260 -9.253 5.224 511 HG2 GLU 66 HG2 GLU 66 -17.726 -9.331 8.181 512 HG3 GLU 66 HG3 GLU 66 -19.282 -9.450 7.365 513 H LYS 67 H LYS 67 -14.837 -7.330 5.749 514 HA LYS 67 HA LYS 67 -14.991 -6.889 2.914 515 HB2 LYS 67 HB2 LYS 67 -13.727 -5.451 5.227 516 HB3 LYS 67 HB3 LYS 67 -13.715 -4.823 3.562 517 HG2 LYS 67 HG2 LYS 67 -16.126 -5.329 5.310 518 HG3 LYS 67 HG3 LYS 67 -15.428 -3.755 4.930 519 HD2 LYS 67 HD2 LYS 67 -15.931 -4.118 2.555 520 HD3 LYS 67 HD3 LYS 67 -16.650 -5.679 2.954 521 HE2 LYS 67 HE2 LYS 67 -18.291 -4.540 4.378 522 HE3 LYS 67 HE3 LYS 67 -17.585 -2.988 3.934 523 HZ1 LYS 67 HZ1 LYS 67 -18.185 -3.414 1.636 524 HZ2 LYS 67 HZ2 LYS 67 -19.551 -3.484 2.628 525 HZ3 LYS 67 HZ3 LYS 67 -18.847 -4.912 2.062 526 H ARG 68 H ARG 68 -12.917 -8.115 5.348 527 HA ARG 68 HA ARG 68 -10.459 -8.037 3.963 528 HB2 ARG 68 HB2 ARG 68 -11.181 -8.466 6.517 529 HB3 ARG 68 HB3 ARG 68 -11.086 -10.138 5.987 530 HG2 ARG 68 HG2 ARG 68 -8.746 -8.720 5.135 531 HG3 ARG 68 HG3 ARG 68 -8.999 -8.482 6.856 532 HD2 ARG 68 HD2 ARG 68 -7.711 -10.404 6.808 533 HD3 ARG 68 HD3 ARG 68 -9.349 -11.037 6.933 534 HE ARG 68 HE ARG 68 -8.584 -10.836 4.217 535 HH11 ARG 68 HH11 ARG 68 -8.005 -12.761 7.091 536 HH12 ARG 68 HH12 ARG 68 -7.542 -14.176 6.216 537 HH21 ARG 68 HH21 ARG 68 -7.948 -12.720 3.049 538 HH22 ARG 68 HH22 ARG 68 -7.507 -14.150 3.904 539 H ASP 69 H ASP 69 -13.108 -10.279 4.397 540 HA ASP 69 HA ASP 69 -12.081 -12.449 2.896 541 HB2 ASP 69 HB2 ASP 69 -13.939 -12.731 4.468 542 HB3 ASP 69 HB3 ASP 69 -14.942 -11.664 3.494 543 H ILE 70 H ILE 70 -14.133 -9.716 2.157 544 HA ILE 70 HA ILE 70 -14.605 -10.241 -0.548 545 HB ILE 70 HB ILE 70 -14.473 -7.746 1.096 546 HG12 ILE 70 HG12 ILE 70 -16.349 -9.192 1.546 547 HG13 ILE 70 HG13 ILE 70 -16.916 -7.714 0.781 548 HG21 ILE 70 HG21 ILE 70 -15.482 -6.486 -0.800 549 HG22 ILE 70 HG22 ILE 70 -15.263 -7.899 -1.833 550 HG23 ILE 70 HG23 ILE 70 -13.857 -7.062 -1.175 551 HD11 ILE 70 HD11 ILE 70 -16.605 -10.413 -0.516 552 HD12 ILE 70 HD12 ILE 70 -17.053 -8.934 -1.365 553 HD13 ILE 70 HD13 ILE 70 -18.111 -9.587 -0.114 554 H TYR 71 H TYR 71 -12.078 -8.306 1.024 555 HA TYR 71 HA TYR 71 -10.647 -7.651 -1.311 556 HB2 TYR 71 HB2 TYR 71 -10.233 -6.511 0.816 557 HB3 TYR 71 HB3 TYR 71 -9.616 -8.000 1.516 558 HD1 TYR 71 HD1 TYR 71 -8.952 -5.954 -1.563 559 HD2 TYR 71 HD2 TYR 71 -7.329 -8.056 1.761 560 HE1 TYR 71 HE1 TYR 71 -6.683 -5.320 -2.277 561 HE2 TYR 71 HE2 TYR 71 -5.059 -7.433 1.054 562 HH TYR 71 HH TYR 71 -4.504 -5.175 -1.573 563 H ASP 72 H ASP 72 -10.384 -10.385 0.847 564 HA ASP 72 HA ASP 72 -8.195 -11.674 -0.308 565 HB2 ASP 72 HB2 ASP 72 -9.125 -12.271 1.869 566 HB3 ASP 72 HB3 ASP 72 -10.603 -12.830 1.104 567 H GLN 73 H GLN 73 -11.648 -11.908 -1.079 568 HA GLN 73 HA GLN 73 -11.410 -14.001 -2.981 569 HB2 GLN 73 HB2 GLN 73 -13.538 -11.916 -2.573 570 HB3 GLN 73 HB3 GLN 73 -13.666 -13.213 -3.752 571 HG2 GLN 73 HG2 GLN 73 -13.541 -14.858 -1.985 572 HG3 GLN 73 HG3 GLN 73 -13.341 -13.570 -0.795 573 HE21 GLN 73 HE21 GLN 73 -15.074 -12.318 -0.242 574 HE22 GLN 73 HE22 GLN 73 -16.702 -12.743 -0.638 575 H PHE 74 H PHE 74 -11.393 -10.495 -3.280 576 HA PHE 74 HA PHE 74 -11.163 -10.720 -6.167 577 HB2 PHE 74 HB2 PHE 74 -11.347 -8.306 -4.361 578 HB3 PHE 74 HB3 PHE 74 -11.164 -8.206 -6.110 579 HD1 PHE 74 HD1 PHE 74 -13.441 -8.907 -3.363 580 HD2 PHE 74 HD2 PHE 74 -12.975 -8.945 -7.586 581 HE1 PHE 74 HE1 PHE 74 -15.879 -9.099 -3.627 582 HE2 PHE 74 HE2 PHE 74 -15.410 -9.135 -7.858 583 HZ PHE 74 HZ PHE 74 -16.864 -9.214 -5.877 584 H GLY 75 H GLY 75 -9.099 -10.818 -3.591 585 HA2 GLY 75 HA2 GLY 75 -6.858 -10.259 -5.408 586 HA3 GLY 75 HA3 GLY 75 -6.872 -9.543 -3.802 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 18.162 -0.208 -10.609 2 H2 GLY 1 HT2 GLY 1 17.028 -0.533 -9.403 3 H3 GLY 1 HT3 GLY 1 17.313 1.060 -9.879 4 HA2 GLY 1 HA3 GLY 1 16.430 0.585 -12.077 5 HA3 GLY 1 HA2 GLY 1 16.120 -1.067 -11.558 6 H GLU 2 H GLU 2 13.947 -0.090 -12.406 7 HA GLU 2 HA GLU 2 12.548 1.525 -10.473 8 HB2 GLU 2 HB2 GLU 2 10.629 1.311 -11.937 9 HB3 GLU 2 HB3 GLU 2 12.051 1.694 -12.893 10 HG2 GLU 2 HG2 GLU 2 12.244 -0.671 -13.524 11 HG3 GLU 2 HG3 GLU 2 10.790 -1.023 -12.595 12 H PHE 3 H PHE 3 10.647 0.812 -9.339 13 HA PHE 3 HA PHE 3 11.001 -1.689 -8.056 14 HB2 PHE 3 HB2 PHE 3 8.669 0.242 -8.036 15 HB3 PHE 3 HB3 PHE 3 8.793 -1.167 -6.991 16 HD1 PHE 3 HD1 PHE 3 10.013 2.201 -7.659 17 HD2 PHE 3 HD2 PHE 3 10.394 -1.222 -5.166 18 HE1 PHE 3 HE1 PHE 3 11.258 3.541 -6.019 19 HE2 PHE 3 HE2 PHE 3 11.641 0.112 -3.518 20 HZ PHE 3 HZ PHE 3 12.075 2.498 -3.943 21 H GLY 4 H GLY 4 8.972 -0.521 -10.635 22 HA2 GLY 4 HA2 GLY 4 8.306 -2.041 -12.389 23 HA3 GLY 4 HA3 GLY 4 8.098 -3.285 -11.156 24 H SER 5 H SER 5 6.664 -2.260 -9.266 25 HA SER 5 HA SER 5 4.467 -0.725 -10.361 26 HB2 SER 5 HB2 SER 5 4.074 -3.432 -9.058 27 HB3 SER 5 HB3 SER 5 2.781 -2.322 -9.516 28 HG SER 5 HG SER 5 4.203 -2.570 -11.665 29 H MET 6 H MET 6 3.342 0.436 -8.783 30 HA MET 6 HA MET 6 4.705 0.581 -6.212 31 HB2 MET 6 HB2 MET 6 4.254 2.692 -7.356 32 HB3 MET 6 HB3 MET 6 2.539 2.317 -7.422 33 HG2 MET 6 HG2 MET 6 2.984 3.927 -5.679 34 HG3 MET 6 HG3 MET 6 2.429 2.408 -4.980 35 HE1 MET 6 HE1 MET 6 3.282 3.013 -2.559 36 HE2 MET 6 HE2 MET 6 3.726 4.599 -3.187 37 HE3 MET 6 HE3 MET 6 4.883 3.674 -2.229 38 H VAL 7 H VAL 7 4.045 -0.730 -4.684 39 HA VAL 7 HA VAL 7 2.773 -1.976 -3.302 40 HB VAL 7 HB VAL 7 0.427 -0.275 -4.196 41 HG11 VAL 7 HG11 VAL 7 -0.557 -0.902 -2.058 42 HG12 VAL 7 HG12 VAL 7 0.859 -1.885 -1.684 43 HG13 VAL 7 HG13 VAL 7 -0.195 -2.331 -3.025 44 HG21 VAL 7 HG21 VAL 7 2.316 0.155 -1.881 45 HG22 VAL 7 HG22 VAL 7 0.885 1.116 -2.239 46 HG23 VAL 7 HG23 VAL 7 2.253 1.123 -3.352 47 H LYS 8 H LYS 8 2.971 -3.976 -4.359 48 HA LYS 8 HA LYS 8 1.764 -4.802 -6.654 49 HB2 LYS 8 HB2 LYS 8 3.627 -5.847 -5.302 50 HB3 LYS 8 HB3 LYS 8 2.398 -6.461 -4.213 51 HG2 LYS 8 HG2 LYS 8 2.987 -8.229 -5.660 52 HG3 LYS 8 HG3 LYS 8 1.402 -7.661 -6.184 53 HD2 LYS 8 HD2 LYS 8 2.412 -6.403 -7.993 54 HD3 LYS 8 HD3 LYS 8 4.026 -6.842 -7.430 55 HE2 LYS 8 HE2 LYS 8 3.500 -9.209 -7.838 56 HE3 LYS 8 HE3 LYS 8 1.914 -8.739 -8.444 57 HZ1 LYS 8 HZ1 LYS 8 3.476 -9.119 -10.239 58 HZ2 LYS 8 HZ2 LYS 8 4.519 -7.946 -9.619 59 HZ3 LYS 8 HZ3 LYS 8 3.001 -7.498 -10.211 60 H GLU 9 H GLU 9 0.012 -6.273 -6.988 61 HA GLU 9 HA GLU 9 -2.422 -5.591 -5.815 62 HB2 GLU 9 HB2 GLU 9 -2.110 -6.754 -8.030 63 HB3 GLU 9 HB3 GLU 9 -1.831 -8.245 -7.142 64 HG2 GLU 9 HG2 GLU 9 -4.030 -8.379 -6.426 65 HG3 GLU 9 HG3 GLU 9 -4.330 -6.666 -6.712 66 H THR 10 H THR 10 -3.863 -6.993 -4.478 67 HA THR 10 HA THR 10 -4.310 -7.639 -2.343 68 HB THR 10 HB THR 10 -2.922 -9.184 -1.075 69 HG1 THR 10 HG1 THR 10 -0.816 -8.316 -2.739 70 HG21 THR 10 HG21 THR 10 -3.993 -10.230 -2.982 71 HG22 THR 10 HG22 THR 10 -2.439 -10.997 -2.655 72 HG23 THR 10 HG23 THR 10 -2.598 -9.857 -3.993 73 H LYS 11 H LYS 11 -3.664 -5.315 -3.056 74 HA LYS 11 HA LYS 11 -1.406 -3.983 -2.137 75 HB2 LYS 11 HB2 LYS 11 -4.153 -2.898 -2.699 76 HB3 LYS 11 HB3 LYS 11 -2.715 -1.929 -2.399 77 HG2 LYS 11 HG2 LYS 11 -1.651 -2.767 -4.374 78 HG3 LYS 11 HG3 LYS 11 -2.967 -3.914 -4.633 79 HD2 LYS 11 HD2 LYS 11 -3.254 -2.033 -6.123 80 HD3 LYS 11 HD3 LYS 11 -4.526 -2.007 -4.902 81 HE2 LYS 11 HE2 LYS 11 -3.301 -0.314 -3.643 82 HE3 LYS 11 HE3 LYS 11 -1.994 -0.363 -4.825 83 HZ1 LYS 11 HZ1 LYS 11 -3.530 0.435 -6.504 84 HZ2 LYS 11 HZ2 LYS 11 -3.480 1.508 -5.197 85 HZ3 LYS 11 HZ3 LYS 11 -4.791 0.466 -5.378 86 H PHE 12 H PHE 12 -4.523 -4.382 -0.483 87 HA PHE 12 HA PHE 12 -3.738 -2.539 1.534 88 HB2 PHE 12 HB2 PHE 12 -6.083 -4.372 1.263 89 HB3 PHE 12 HB3 PHE 12 -5.734 -3.595 2.811 90 HD1 PHE 12 HD1 PHE 12 -7.865 -3.284 0.251 91 HD2 PHE 12 HD2 PHE 12 -4.860 -0.971 2.169 92 HE1 PHE 12 HE1 PHE 12 -8.970 -1.214 -0.498 93 HE2 PHE 12 HE2 PHE 12 -5.958 1.090 1.434 94 HZ PHE 12 HZ PHE 12 -8.014 0.978 0.108 95 H TYR 13 H TYR 13 -3.453 -5.976 1.122 96 HA TYR 13 HA TYR 13 -2.603 -6.472 3.821 97 HB2 TYR 13 HB2 TYR 13 -2.065 -8.047 1.285 98 HB3 TYR 13 HB3 TYR 13 -1.683 -8.598 2.911 99 HD1 TYR 13 HD1 TYR 13 -4.065 -8.671 0.316 100 HD2 TYR 13 HD2 TYR 13 -3.741 -8.743 4.552 101 HE1 TYR 13 HE1 TYR 13 -6.267 -9.744 0.459 102 HE2 TYR 13 HE2 TYR 13 -5.948 -9.812 4.707 103 HH TYR 13 HH TYR 13 -7.525 -11.131 1.972 104 H ASP 14 H ASP 14 -1.052 -5.915 0.721 105 HA ASP 14 HA ASP 14 1.637 -5.967 1.408 106 HB2 ASP 14 HB2 ASP 14 0.667 -5.709 -0.933 107 HB3 ASP 14 HB3 ASP 14 0.388 -4.029 -0.540 108 H ILE 15 H ILE 15 -0.570 -3.227 1.429 109 HA ILE 15 HA ILE 15 1.262 -1.259 2.211 110 HB ILE 15 HB ILE 15 -1.742 -1.410 2.438 111 HG12 ILE 15 HG12 ILE 15 0.031 0.302 0.682 112 HG13 ILE 15 HG13 ILE 15 -0.617 -1.284 0.202 113 HG21 ILE 15 HG21 ILE 15 -0.953 0.064 4.232 114 HG22 ILE 15 HG22 ILE 15 -1.730 1.002 2.957 115 HG23 ILE 15 HG23 ILE 15 0.029 0.963 3.077 116 HD11 ILE 15 HD11 ILE 15 -2.896 -0.362 0.516 117 HD12 ILE 15 HD12 ILE 15 -1.964 0.447 -0.742 118 HD13 ILE 15 HD13 ILE 15 -2.169 1.214 0.828 119 H LEU 16 H LEU 16 -1.075 -3.031 4.240 120 HA LEU 16 HA LEU 16 -0.031 -2.001 6.639 121 HB2 LEU 16 HB2 LEU 16 -1.643 -4.489 6.151 122 HB3 LEU 16 HB3 LEU 16 -1.190 -3.945 7.754 123 HG LEU 16 HG LEU 16 -2.968 -2.445 5.808 124 HD11 LEU 16 HD11 LEU 16 -3.606 -3.830 8.398 125 HD12 LEU 16 HD12 LEU 16 -3.991 -4.434 6.789 126 HD13 LEU 16 HD13 LEU 16 -4.733 -2.944 7.371 127 HD21 LEU 16 HD21 LEU 16 -1.673 -0.895 7.164 128 HD22 LEU 16 HD22 LEU 16 -2.117 -1.776 8.626 129 HD23 LEU 16 HD23 LEU 16 -3.353 -0.924 7.700 130 H GLY 17 H GLY 17 1.072 -4.669 4.684 131 HA2 GLY 17 HA2 GLY 17 3.202 -5.646 4.886 132 HA3 GLY 17 HA3 GLY 17 3.340 -4.959 6.502 133 H VAL 18 H VAL 18 0.477 -6.509 5.605 134 HA VAL 18 HA VAL 18 1.055 -8.752 7.431 135 HB VAL 18 HB VAL 18 -1.401 -8.998 7.645 136 HG11 VAL 18 HG11 VAL 18 -0.376 -6.242 8.257 137 HG12 VAL 18 HG12 VAL 18 -0.175 -7.677 9.262 138 HG13 VAL 18 HG13 VAL 18 -1.783 -7.007 8.991 139 HG21 VAL 18 HG21 VAL 18 -2.881 -7.227 6.808 140 HG22 VAL 18 HG22 VAL 18 -2.069 -8.076 5.491 141 HG23 VAL 18 HG23 VAL 18 -1.510 -6.481 5.985 142 HA PRO 19 HA PRO 19 0.663 -11.647 4.075 143 HB2 PRO 19 HB2 PRO 19 -0.640 -13.715 5.245 144 HB3 PRO 19 HB3 PRO 19 1.056 -13.344 5.614 145 HG2 PRO 19 HG2 PRO 19 -1.424 -12.573 7.107 146 HG3 PRO 19 HG3 PRO 19 0.071 -13.286 7.741 147 HD2 PRO 19 HD2 PRO 19 -0.394 -10.655 7.925 148 HD3 PRO 19 HD3 PRO 19 1.237 -11.255 7.568 149 H VAL 20 H VAL 20 -0.948 -12.733 2.696 150 HA VAL 20 HA VAL 20 -3.310 -11.280 2.330 151 HB VAL 20 HB VAL 20 -2.513 -14.052 1.365 152 HG11 VAL 20 HG11 VAL 20 -4.925 -13.788 1.239 153 HG12 VAL 20 HG12 VAL 20 -4.215 -13.773 -0.374 154 HG13 VAL 20 HG13 VAL 20 -4.729 -12.262 0.378 155 HG21 VAL 20 HG21 VAL 20 -1.943 -12.915 -0.732 156 HG22 VAL 20 HG22 VAL 20 -0.990 -12.308 0.622 157 HG23 VAL 20 HG23 VAL 20 -2.347 -11.364 0.005 158 H THR 21 H THR 21 -2.440 -14.055 4.180 159 HA THR 21 HA THR 21 -5.185 -14.757 4.888 160 HB THR 21 HB THR 21 -2.739 -16.071 6.032 161 HG1 THR 21 HG1 THR 21 -2.592 -17.338 4.164 162 HG21 THR 21 HG21 THR 21 -4.166 -18.050 5.984 163 HG22 THR 21 HG22 THR 21 -5.420 -17.156 5.127 164 HG23 THR 21 HG23 THR 21 -5.013 -16.730 6.789 165 H ALA 22 H ALA 22 -3.869 -12.193 5.779 166 HA ALA 22 HA ALA 22 -2.972 -12.310 8.409 167 HB1 ALA 22 HB1 ALA 22 -4.402 -10.020 7.094 168 HB2 ALA 22 HB2 ALA 22 -2.694 -10.399 6.887 169 HB3 ALA 22 HB3 ALA 22 -3.309 -9.941 8.477 170 H THR 23 H THR 23 -3.861 -11.974 10.339 171 HA THR 23 HA THR 23 -6.757 -12.359 10.563 172 HB THR 23 HB THR 23 -6.245 -13.055 12.907 173 HG1 THR 23 HG1 THR 23 -3.546 -12.872 11.961 174 HG21 THR 23 HG21 THR 23 -5.290 -15.242 12.310 175 HG22 THR 23 HG22 THR 23 -4.807 -14.595 10.741 176 HG23 THR 23 HG23 THR 23 -6.517 -14.732 11.150 177 H ASP 24 H ASP 24 -7.657 -11.301 12.695 178 HA ASP 24 HA ASP 24 -7.810 -8.576 12.267 179 HB2 ASP 24 HB2 ASP 24 -8.320 -10.101 14.828 180 HB3 ASP 24 HB3 ASP 24 -8.826 -8.445 14.521 181 H VAL 25 H VAL 25 -5.839 -10.332 14.605 182 HA VAL 25 HA VAL 25 -4.906 -8.040 15.972 183 HB VAL 25 HB VAL 25 -3.801 -10.845 15.813 184 HG11 VAL 25 HG11 VAL 25 -2.918 -8.590 17.625 185 HG12 VAL 25 HG12 VAL 25 -1.971 -9.287 16.310 186 HG13 VAL 25 HG13 VAL 25 -2.370 -10.264 17.722 187 HG21 VAL 25 HG21 VAL 25 -5.267 -9.390 18.013 188 HG22 VAL 25 HG22 VAL 25 -4.712 -11.064 18.061 189 HG23 VAL 25 HG23 VAL 25 -5.975 -10.584 16.928 190 H GLU 26 H GLU 26 -3.633 -9.929 13.310 191 HA GLU 26 HA GLU 26 -1.072 -8.654 13.154 192 HB2 GLU 26 HB2 GLU 26 -2.698 -10.160 11.098 193 HB3 GLU 26 HB3 GLU 26 -1.023 -9.664 10.871 194 HG2 GLU 26 HG2 GLU 26 -0.329 -11.077 12.701 195 HG3 GLU 26 HG3 GLU 26 -2.005 -11.517 13.024 196 H ILE 27 H ILE 27 -4.147 -8.260 11.629 197 HA ILE 27 HA ILE 27 -3.525 -6.231 9.810 198 HB ILE 27 HB ILE 27 -6.078 -7.099 11.159 199 HG12 ILE 27 HG12 ILE 27 -5.202 -7.350 8.275 200 HG13 ILE 27 HG13 ILE 27 -4.905 -8.581 9.497 201 HG21 ILE 27 HG21 ILE 27 -5.776 -5.031 8.962 202 HG22 ILE 27 HG22 ILE 27 -6.303 -4.716 10.614 203 HG23 ILE 27 HG23 ILE 27 -7.303 -5.697 9.542 204 HD11 ILE 27 HD11 ILE 27 -6.862 -9.044 8.074 205 HD12 ILE 27 HD12 ILE 27 -7.633 -7.589 8.710 206 HD13 ILE 27 HD13 ILE 27 -7.256 -8.930 9.787 207 H LYS 28 H LYS 28 -4.896 -6.071 13.101 208 HA LYS 28 HA LYS 28 -5.114 -3.314 13.177 209 HB2 LYS 28 HB2 LYS 28 -6.337 -4.781 14.664 210 HB3 LYS 28 HB3 LYS 28 -4.833 -5.306 15.413 211 HG2 LYS 28 HG2 LYS 28 -4.425 -3.042 16.166 212 HG3 LYS 28 HG3 LYS 28 -5.948 -2.531 15.439 213 HD2 LYS 28 HD2 LYS 28 -5.701 -4.639 17.578 214 HD3 LYS 28 HD3 LYS 28 -6.079 -2.945 17.896 215 HE2 LYS 28 HE2 LYS 28 -8.073 -3.156 16.447 216 HE3 LYS 28 HE3 LYS 28 -7.708 -4.867 16.232 217 HZ1 LYS 28 HZ1 LYS 28 -7.981 -5.183 18.612 218 HZ2 LYS 28 HZ2 LYS 28 -9.376 -4.515 17.931 219 HZ3 LYS 28 HZ3 LYS 28 -8.322 -3.540 18.812 220 H LYS 29 H LYS 29 -2.549 -5.470 14.324 221 HA LYS 29 HA LYS 29 -1.055 -3.391 15.546 222 HB2 LYS 29 HB2 LYS 29 0.778 -5.001 15.706 223 HB3 LYS 29 HB3 LYS 29 -0.741 -5.716 16.209 224 HG2 LYS 29 HG2 LYS 29 -0.926 -6.794 14.014 225 HG3 LYS 29 HG3 LYS 29 0.653 -6.158 13.569 226 HD2 LYS 29 HD2 LYS 29 0.031 -8.062 15.840 227 HD3 LYS 29 HD3 LYS 29 0.863 -8.458 14.339 228 HE2 LYS 29 HE2 LYS 29 1.870 -6.551 16.457 229 HE3 LYS 29 HE3 LYS 29 2.416 -8.208 16.228 230 HZ1 LYS 29 HZ1 LYS 29 3.955 -6.720 15.213 231 HZ2 LYS 29 HZ2 LYS 29 2.748 -5.957 14.320 232 HZ3 LYS 29 HZ3 LYS 29 3.161 -7.564 13.985 233 H ALA 30 H ALA 30 -0.996 -4.751 12.349 234 HA ALA 30 HA ALA 30 1.217 -3.381 11.358 235 HB1 ALA 30 HB1 ALA 30 -1.258 -4.239 9.883 236 HB2 ALA 30 HB2 ALA 30 0.152 -5.249 10.203 237 HB3 ALA 30 HB3 ALA 30 0.300 -3.833 9.163 238 H TYR 31 H TYR 31 -2.205 -2.537 11.571 239 HA TYR 31 HA TYR 31 -2.036 -0.061 10.260 240 HB2 TYR 31 HB2 TYR 31 -4.198 -1.017 10.584 241 HB3 TYR 31 HB3 TYR 31 -3.948 -1.169 12.324 242 HD1 TYR 31 HD1 TYR 31 -4.162 1.409 9.630 243 HD2 TYR 31 HD2 TYR 31 -4.785 0.488 13.735 244 HE1 TYR 31 HE1 TYR 31 -5.214 3.604 9.961 245 HE2 TYR 31 HE2 TYR 31 -5.843 2.682 14.073 246 HH TYR 31 HH TYR 31 -5.786 4.946 12.974 247 H ARG 32 H ARG 32 -1.781 -1.074 13.601 248 HA ARG 32 HA ARG 32 -1.542 1.429 14.809 249 HB2 ARG 32 HB2 ARG 32 -0.326 -1.217 15.612 250 HB3 ARG 32 HB3 ARG 32 -0.489 0.186 16.659 251 HG2 ARG 32 HG2 ARG 32 -2.756 -1.293 15.378 252 HG3 ARG 32 HG3 ARG 32 -2.226 -1.514 17.037 253 HD2 ARG 32 HD2 ARG 32 -2.691 0.871 17.447 254 HD3 ARG 32 HD3 ARG 32 -3.254 1.022 15.784 255 HE ARG 32 HE ARG 32 -4.624 -1.016 17.273 256 HH11 ARG 32 HH11 ARG 32 -4.562 2.404 16.512 257 HH12 ARG 32 HH12 ARG 32 -6.227 2.663 16.888 258 HH21 ARG 32 HH21 ARG 32 -6.868 -0.673 17.787 259 HH22 ARG 32 HH22 ARG 32 -7.535 0.908 17.611 260 H LYS 33 H LYS 33 0.921 -0.798 13.586 261 HA LYS 33 HA LYS 33 3.078 0.962 14.321 262 HB2 LYS 33 HB2 LYS 33 4.553 -0.555 13.311 263 HB3 LYS 33 HB3 LYS 33 3.240 -1.552 13.922 264 HG2 LYS 33 HG2 LYS 33 2.281 -1.678 11.675 265 HG3 LYS 33 HG3 LYS 33 3.591 -0.647 11.082 266 HD2 LYS 33 HD2 LYS 33 5.227 -2.355 11.705 267 HD3 LYS 33 HD3 LYS 33 3.929 -3.387 12.310 268 HE2 LYS 33 HE2 LYS 33 2.960 -3.494 10.061 269 HE3 LYS 33 HE3 LYS 33 4.236 -2.441 9.456 270 HZ1 LYS 33 HZ1 LYS 33 4.647 -5.137 10.631 271 HZ2 LYS 33 HZ2 LYS 33 5.857 -4.135 10.014 272 HZ3 LYS 33 HZ3 LYS 33 4.687 -4.776 8.981 273 H CYS 34 H CYS 34 1.292 0.408 11.323 274 HA CYS 34 HA CYS 34 2.938 2.079 9.765 275 HB2 CYS 34 HB2 CYS 34 1.277 0.534 8.793 276 HB3 CYS 34 HB3 CYS 34 -0.018 1.557 9.408 277 HG CYS 34 HG CYS 34 0.435 3.679 7.755 278 H ALA 35 H ALA 35 -0.053 2.799 11.554 279 HA ALA 35 HA ALA 35 -0.130 5.534 10.863 280 HB1 ALA 35 HB1 ALA 35 -1.733 5.745 12.700 281 HB2 ALA 35 HB2 ALA 35 -1.300 4.133 13.271 282 HB3 ALA 35 HB3 ALA 35 -2.083 4.332 11.702 283 H LEU 36 H LEU 36 1.153 3.867 13.739 284 HA LEU 36 HA LEU 36 1.967 6.203 15.094 285 HB2 LEU 36 HB2 LEU 36 3.067 3.407 15.234 286 HB3 LEU 36 HB3 LEU 36 3.616 4.706 16.269 287 HG LEU 36 HG LEU 36 0.786 3.668 16.180 288 HD11 LEU 36 HD11 LEU 36 2.282 1.969 17.039 289 HD12 LEU 36 HD12 LEU 36 1.332 2.653 18.358 290 HD13 LEU 36 HD13 LEU 36 3.013 3.135 18.141 291 HD21 LEU 36 HD21 LEU 36 2.166 5.569 18.074 292 HD22 LEU 36 HD22 LEU 36 0.521 4.959 18.248 293 HD23 LEU 36 HD23 LEU 36 0.935 5.999 16.886 294 H LYS 37 H LYS 37 3.651 4.163 12.811 295 HA LYS 37 HA LYS 37 6.135 5.489 13.002 296 HB2 LYS 37 HB2 LYS 37 4.939 3.646 10.946 297 HB3 LYS 37 HB3 LYS 37 6.589 4.266 10.821 298 HG2 LYS 37 HG2 LYS 37 7.231 3.137 12.822 299 HG3 LYS 37 HG3 LYS 37 5.556 2.740 13.206 300 HD2 LYS 37 HD2 LYS 37 6.639 0.782 12.370 301 HD3 LYS 37 HD3 LYS 37 5.485 1.340 11.167 302 HE2 LYS 37 HE2 LYS 37 7.282 2.372 9.885 303 HE3 LYS 37 HE3 LYS 37 8.454 1.886 11.109 304 HZ1 LYS 37 HZ1 LYS 37 7.959 -0.429 10.615 305 HZ2 LYS 37 HZ2 LYS 37 8.461 0.377 9.220 306 HZ3 LYS 37 HZ3 LYS 37 6.827 0.035 9.451 307 H TYR 38 H TYR 38 3.371 5.949 10.747 308 HA TYR 38 HA TYR 38 4.815 8.314 9.708 309 HB2 TYR 38 HB2 TYR 38 3.220 6.253 8.220 310 HB3 TYR 38 HB3 TYR 38 3.682 7.786 7.492 311 HD1 TYR 38 HD1 TYR 38 4.794 4.478 8.524 312 HD2 TYR 38 HD2 TYR 38 6.102 8.285 7.159 313 HE1 TYR 38 HE1 TYR 38 6.996 3.522 7.981 314 HE2 TYR 38 HE2 TYR 38 8.303 7.339 6.606 315 HH TYR 38 HH TYR 38 9.704 5.438 7.295 316 H HIS 39 H HIS 39 2.491 8.102 11.743 317 HA HIS 39 HA HIS 39 0.247 9.288 10.538 318 HB2 HIS 39 HB2 HIS 39 -0.388 10.037 12.817 319 HB3 HIS 39 HB3 HIS 39 0.069 8.341 12.758 320 HD2 HIS 39 HD2 HIS 39 3.431 9.460 12.959 321 HE1 HIS 39 HE1 HIS 39 2.095 10.098 16.933 322 HE2 HIS 39 HE2 HIS 39 4.054 9.535 15.466 323 HA PRO 40 HA PRO 40 1.578 13.379 9.505 324 HB2 PRO 40 HB2 PRO 40 -0.865 14.609 9.549 325 HB3 PRO 40 HB3 PRO 40 -0.323 13.566 8.226 326 HG2 PRO 40 HG2 PRO 40 -2.087 12.908 10.557 327 HG3 PRO 40 HG3 PRO 40 -2.290 12.480 8.847 328 HD2 PRO 40 HD2 PRO 40 -1.340 10.715 10.619 329 HD3 PRO 40 HD3 PRO 40 -0.709 10.783 8.959 330 H ASP 41 H ASP 41 -0.012 12.585 12.417 331 HA ASP 41 HA ASP 41 -0.165 15.104 13.670 332 HB2 ASP 41 HB2 ASP 41 0.093 12.338 14.859 333 HB3 ASP 41 HB3 ASP 41 -0.249 13.789 15.794 334 H LYS 42 H LYS 42 2.521 13.001 13.059 335 HA LYS 42 HA LYS 42 4.232 14.811 14.559 336 HB2 LYS 42 HB2 LYS 42 4.311 11.802 14.750 337 HB3 LYS 42 HB3 LYS 42 5.650 12.830 15.248 338 HG2 LYS 42 HG2 LYS 42 4.151 13.954 16.846 339 HG3 LYS 42 HG3 LYS 42 2.866 12.844 16.381 340 HD2 LYS 42 HD2 LYS 42 4.217 10.954 17.131 341 HD3 LYS 42 HD3 LYS 42 5.513 12.059 17.594 342 HE2 LYS 42 HE2 LYS 42 2.721 12.048 18.736 343 HE3 LYS 42 HE3 LYS 42 4.146 11.376 19.522 344 HZ1 LYS 42 HZ1 LYS 42 3.704 14.227 18.824 345 HZ2 LYS 42 HZ2 LYS 42 5.128 13.608 19.490 346 HZ3 LYS 42 HZ3 LYS 42 3.690 13.556 20.375 347 H ASN 43 H ASN 43 3.697 12.637 11.937 348 HA ASN 43 HA ASN 43 6.286 13.240 10.757 349 HB2 ASN 43 HB2 ASN 43 4.090 11.337 9.930 350 HB3 ASN 43 HB3 ASN 43 5.609 11.540 9.073 351 HD21 ASN 43 HD21 ASN 43 7.463 10.661 9.892 352 HD22 ASN 43 HD22 ASN 43 7.460 9.572 11.233 353 HA PRO 44 HA PRO 44 3.864 16.447 8.726 354 HB2 PRO 44 HB2 PRO 44 5.931 17.939 7.885 355 HB3 PRO 44 HB3 PRO 44 5.441 17.901 9.584 356 HG2 PRO 44 HG2 PRO 44 7.664 16.424 8.227 357 HG3 PRO 44 HG3 PRO 44 7.679 17.289 9.775 358 HD2 PRO 44 HD2 PRO 44 7.408 14.582 9.566 359 HD3 PRO 44 HD3 PRO 44 6.712 15.541 10.909 360 H SER 45 H SER 45 5.937 14.127 7.379 361 HA SER 45 HA SER 45 6.122 15.053 4.725 362 HB2 SER 45 HB2 SER 45 5.896 12.181 5.206 363 HB3 SER 45 HB3 SER 45 7.099 13.062 4.281 364 HG SER 45 HG SER 45 8.076 13.730 6.223 365 H GLU 46 H GLU 46 4.759 14.973 3.150 366 HA GLU 46 HA GLU 46 2.041 14.410 3.579 367 HB2 GLU 46 HB2 GLU 46 1.723 14.837 1.225 368 HB3 GLU 46 HB3 GLU 46 2.793 16.032 1.942 369 HG2 GLU 46 HG2 GLU 46 4.706 14.937 0.959 370 HG3 GLU 46 HG3 GLU 46 3.665 13.685 0.282 371 H GLU 47 H GLU 47 4.658 12.593 2.187 372 HA GLU 47 HA GLU 47 3.318 10.438 1.017 373 HB2 GLU 47 HB2 GLU 47 5.922 10.444 2.560 374 HB3 GLU 47 HB3 GLU 47 5.440 9.266 1.350 375 HG2 GLU 47 HG2 GLU 47 6.076 12.166 0.852 376 HG3 GLU 47 HG3 GLU 47 7.127 10.805 0.503 377 H ALA 48 H ALA 48 4.460 11.065 4.244 378 HA ALA 48 HA ALA 48 3.853 8.601 5.436 379 HB1 ALA 48 HB1 ALA 48 3.967 11.331 6.708 380 HB2 ALA 48 HB2 ALA 48 5.336 10.245 6.480 381 HB3 ALA 48 HB3 ALA 48 4.025 9.796 7.571 382 H ALA 49 H ALA 49 2.125 11.520 5.109 383 HA ALA 49 HA ALA 49 -0.212 10.792 6.508 384 HB1 ALA 49 HB1 ALA 49 0.098 12.770 4.251 385 HB2 ALA 49 HB2 ALA 49 0.260 13.114 5.973 386 HB3 ALA 49 HB3 ALA 49 -1.304 12.643 5.312 387 H GLU 50 H GLU 50 0.776 10.462 3.147 388 HA GLU 50 HA GLU 50 -1.624 9.489 2.056 389 HB2 GLU 50 HB2 GLU 50 1.216 8.745 1.315 390 HB3 GLU 50 HB3 GLU 50 -0.202 8.497 0.312 391 HG2 GLU 50 HG2 GLU 50 -0.511 10.993 0.354 392 HG3 GLU 50 HG3 GLU 50 1.095 11.071 1.118 393 H LYS 51 H LYS 51 1.147 7.901 3.481 394 HA LYS 51 HA LYS 51 0.354 5.223 3.220 395 HB2 LYS 51 HB2 LYS 51 2.070 6.599 5.270 396 HB3 LYS 51 HB3 LYS 51 1.917 4.851 5.126 397 HG2 LYS 51 HG2 LYS 51 2.850 4.931 2.897 398 HG3 LYS 51 HG3 LYS 51 2.935 6.691 2.981 399 HD2 LYS 51 HD2 LYS 51 5.102 5.702 3.454 400 HD3 LYS 51 HD3 LYS 51 4.450 6.524 4.883 401 HE2 LYS 51 HE2 LYS 51 5.450 4.343 5.426 402 HE3 LYS 51 HE3 LYS 51 3.736 4.400 5.820 403 HZ1 LYS 51 HZ1 LYS 51 4.900 3.181 3.356 404 HZ2 LYS 51 HZ2 LYS 51 3.259 3.203 3.758 405 HZ3 LYS 51 HZ3 LYS 51 4.344 2.318 4.700 406 H PHE 52 H PHE 52 -0.103 7.525 5.829 407 HA PHE 52 HA PHE 52 -1.375 5.869 7.657 408 HB2 PHE 52 HB2 PHE 52 -0.595 8.043 8.328 409 HB3 PHE 52 HB3 PHE 52 -1.671 8.837 7.181 410 HD1 PHE 52 HD1 PHE 52 -1.649 6.775 10.261 411 HD2 PHE 52 HD2 PHE 52 -3.850 9.436 7.778 412 HE1 PHE 52 HE1 PHE 52 -3.405 6.926 11.979 413 HE2 PHE 52 HE2 PHE 52 -5.606 9.592 9.490 414 HZ PHE 52 HZ PHE 52 -5.384 8.335 11.593 415 H LYS 53 H LYS 53 -2.770 7.882 5.093 416 HA LYS 53 HA LYS 53 -5.460 7.271 5.620 417 HB2 LYS 53 HB2 LYS 53 -4.152 8.049 3.012 418 HB3 LYS 53 HB3 LYS 53 -5.884 8.043 3.306 419 HG2 LYS 53 HG2 LYS 53 -3.851 9.752 4.724 420 HG3 LYS 53 HG3 LYS 53 -4.981 10.286 3.475 421 HD2 LYS 53 HD2 LYS 53 -6.861 9.723 4.933 422 HD3 LYS 53 HD3 LYS 53 -5.738 9.167 6.176 423 HE2 LYS 53 HE2 LYS 53 -6.491 11.406 6.695 424 HE3 LYS 53 HE3 LYS 53 -4.778 11.425 6.291 425 HZ1 LYS 53 HZ1 LYS 53 -6.971 12.139 4.427 426 HZ2 LYS 53 HZ2 LYS 53 -5.319 12.218 4.095 427 HZ3 LYS 53 HZ3 LYS 53 -5.996 13.243 5.255 428 H GLU 54 H GLU 54 -3.081 5.661 3.552 429 HA GLU 54 HA GLU 54 -4.902 3.781 2.461 430 HB2 GLU 54 HB2 GLU 54 -1.917 3.687 2.806 431 HB3 GLU 54 HB3 GLU 54 -2.857 2.502 1.910 432 HG2 GLU 54 HG2 GLU 54 -3.615 4.209 0.393 433 HG3 GLU 54 HG3 GLU 54 -2.733 5.424 1.317 434 H ALA 55 H ALA 55 -2.806 3.776 5.285 435 HA ALA 55 HA ALA 55 -3.141 1.053 5.975 436 HB1 ALA 55 HB1 ALA 55 -1.324 2.430 6.863 437 HB2 ALA 55 HB2 ALA 55 -2.272 1.698 8.157 438 HB3 ALA 55 HB3 ALA 55 -2.496 3.401 7.755 439 H SER 56 H SER 56 -4.840 4.003 6.808 440 HA SER 56 HA SER 56 -6.517 2.806 8.716 441 HB2 SER 56 HB2 SER 56 -7.845 4.917 8.475 442 HB3 SER 56 HB3 SER 56 -6.143 5.167 8.845 443 HG SER 56 HG SER 56 -5.807 5.939 6.897 444 H ALA 57 H ALA 57 -6.909 3.435 5.223 445 HA ALA 57 HA ALA 57 -9.615 2.548 5.121 446 HB1 ALA 57 HB1 ALA 57 -9.270 2.364 2.704 447 HB2 ALA 57 HB2 ALA 57 -7.527 2.501 2.930 448 HB3 ALA 57 HB3 ALA 57 -8.576 3.867 3.313 449 H ALA 58 H ALA 58 -6.552 0.940 4.797 450 HA ALA 58 HA ALA 58 -7.423 -1.618 4.052 451 HB1 ALA 58 HB1 ALA 58 -5.051 -0.827 4.037 452 HB2 ALA 58 HB2 ALA 58 -5.276 -2.399 4.799 453 HB3 ALA 58 HB3 ALA 58 -5.048 -0.961 5.794 454 H TYR 59 H TYR 59 -6.800 -0.121 7.171 455 HA TYR 59 HA TYR 59 -7.519 -2.282 8.790 456 HB2 TYR 59 HB2 TYR 59 -6.271 -0.327 9.557 457 HB3 TYR 59 HB3 TYR 59 -7.694 0.684 9.349 458 HD1 TYR 59 HD1 TYR 59 -6.394 -2.248 11.233 459 HD2 TYR 59 HD2 TYR 59 -9.198 0.951 11.139 460 HE1 TYR 59 HE1 TYR 59 -7.006 -2.723 13.565 461 HE2 TYR 59 HE2 TYR 59 -9.818 0.480 13.474 462 HH TYR 59 HH TYR 59 -9.743 -1.424 15.054 463 H GLU 60 H GLU 60 -9.421 0.281 7.322 464 HA GLU 60 HA GLU 60 -11.735 -0.071 8.793 465 HB2 GLU 60 HB2 GLU 60 -11.380 0.858 5.952 466 HB3 GLU 60 HB3 GLU 60 -12.911 0.932 6.814 467 HG2 GLU 60 HG2 GLU 60 -10.357 2.330 7.552 468 HG3 GLU 60 HG3 GLU 60 -11.816 3.069 6.890 469 H ILE 61 H ILE 61 -10.648 -1.757 5.866 470 HA ILE 61 HA ILE 61 -13.097 -3.409 5.916 471 HB ILE 61 HB ILE 61 -12.160 -4.454 3.856 472 HG12 ILE 61 HG12 ILE 61 -10.137 -2.210 3.984 473 HG13 ILE 61 HG13 ILE 61 -9.783 -3.907 4.290 474 HG21 ILE 61 HG21 ILE 61 -12.663 -2.535 2.397 475 HG22 ILE 61 HG22 ILE 61 -12.566 -1.467 3.797 476 HG23 ILE 61 HG23 ILE 61 -13.823 -2.700 3.714 477 HD11 ILE 61 HD11 ILE 61 -10.790 -2.769 1.702 478 HD12 ILE 61 HD12 ILE 61 -10.389 -4.458 2.012 479 HD13 ILE 61 HD13 ILE 61 -9.126 -3.228 2.055 480 H LEU 62 H LEU 62 -9.619 -3.849 6.090 481 HA LEU 62 HA LEU 62 -9.699 -6.599 6.456 482 HB2 LEU 62 HB2 LEU 62 -7.691 -4.542 7.242 483 HB3 LEU 62 HB3 LEU 62 -7.361 -6.279 7.311 484 HG LEU 62 HG LEU 62 -7.951 -4.604 4.867 485 HD11 LEU 62 HD11 LEU 62 -5.452 -6.021 5.756 486 HD12 LEU 62 HD12 LEU 62 -5.721 -4.278 5.689 487 HD13 LEU 62 HD13 LEU 62 -5.672 -5.223 4.200 488 HD21 LEU 62 HD21 LEU 62 -7.486 -6.655 3.568 489 HD22 LEU 62 HD22 LEU 62 -8.943 -6.780 4.547 490 HD23 LEU 62 HD23 LEU 62 -7.456 -7.574 5.072 491 H SER 63 H SER 63 -9.792 -4.025 8.896 492 HA SER 63 HA SER 63 -9.540 -5.698 11.170 493 HB2 SER 63 HB2 SER 63 -9.224 -3.235 11.241 494 HB3 SER 63 HB3 SER 63 -10.948 -3.024 10.968 495 HG SER 63 HG SER 63 -10.584 -4.690 13.033 496 H ASP 64 H ASP 64 -12.031 -5.482 8.937 497 HA ASP 64 HA ASP 64 -13.904 -6.706 10.827 498 HB2 ASP 64 HB2 ASP 64 -14.483 -5.139 8.299 499 HB3 ASP 64 HB3 ASP 64 -15.671 -6.189 9.057 500 HA PRO 65 HA PRO 65 -12.181 -10.221 8.613 501 HB2 PRO 65 HB2 PRO 65 -14.441 -11.479 10.101 502 HB3 PRO 65 HB3 PRO 65 -12.746 -11.984 9.986 503 HG2 PRO 65 HG2 PRO 65 -13.639 -10.796 12.158 504 HG3 PRO 65 HG3 PRO 65 -12.032 -10.376 11.521 505 HD2 PRO 65 HD2 PRO 65 -14.621 -8.881 11.377 506 HD3 PRO 65 HD3 PRO 65 -12.977 -8.249 11.579 507 H GLU 66 H GLU 66 -15.484 -9.269 8.725 508 HA GLU 66 HA GLU 66 -16.380 -11.118 6.714 509 HB2 GLU 66 HB2 GLU 66 -17.673 -8.672 7.919 510 HB3 GLU 66 HB3 GLU 66 -18.446 -9.654 6.680 511 HG2 GLU 66 HG2 GLU 66 -17.551 -10.651 9.373 512 HG3 GLU 66 HG3 GLU 66 -19.205 -10.215 8.942 513 H LYS 67 H LYS 67 -15.249 -7.836 6.862 514 HA LYS 67 HA LYS 67 -15.773 -7.292 4.103 515 HB2 LYS 67 HB2 LYS 67 -14.450 -5.914 6.404 516 HB3 LYS 67 HB3 LYS 67 -14.458 -5.199 4.773 517 HG2 LYS 67 HG2 LYS 67 -16.906 -5.943 6.375 518 HG3 LYS 67 HG3 LYS 67 -16.225 -4.318 6.284 519 HD2 LYS 67 HD2 LYS 67 -16.552 -4.364 3.828 520 HD3 LYS 67 HD3 LYS 67 -17.321 -5.943 3.986 521 HE2 LYS 67 HE2 LYS 67 -18.287 -3.412 5.309 522 HE3 LYS 67 HE3 LYS 67 -18.933 -4.074 3.810 523 HZ1 LYS 67 HZ1 LYS 67 -18.990 -5.392 6.472 524 HZ2 LYS 67 HZ2 LYS 67 -19.558 -6.082 5.038 525 HZ3 LYS 67 HZ3 LYS 67 -20.304 -4.706 5.666 526 H ARG 68 H ARG 68 -13.343 -8.504 6.148 527 HA ARG 68 HA ARG 68 -11.073 -8.063 4.547 528 HB2 ARG 68 HB2 ARG 68 -11.439 -8.707 7.094 529 HB3 ARG 68 HB3 ARG 68 -11.360 -10.338 6.465 530 HG2 ARG 68 HG2 ARG 68 -9.207 -8.345 5.894 531 HG3 ARG 68 HG3 ARG 68 -9.202 -9.304 7.367 532 HD2 ARG 68 HD2 ARG 68 -9.166 -10.310 4.521 533 HD3 ARG 68 HD3 ARG 68 -7.823 -10.322 5.659 534 HE ARG 68 HE ARG 68 -9.798 -11.756 6.892 535 HH11 ARG 68 HH11 ARG 68 -8.066 -11.948 3.862 536 HH12 ARG 68 HH12 ARG 68 -8.176 -13.671 3.750 537 HH21 ARG 68 HH21 ARG 68 -9.955 -14.041 6.760 538 HH22 ARG 68 HH22 ARG 68 -9.259 -14.875 5.414 539 H ASP 69 H ASP 69 -13.345 -10.760 5.064 540 HA ASP 69 HA ASP 69 -12.137 -12.540 3.211 541 HB2 ASP 69 HB2 ASP 69 -14.937 -12.410 4.327 542 HB3 ASP 69 HB3 ASP 69 -14.398 -13.677 3.235 543 H ILE 70 H ILE 70 -14.645 -10.152 3.038 544 HA ILE 70 HA ILE 70 -15.468 -10.639 0.397 545 HB ILE 70 HB ILE 70 -15.557 -8.243 2.187 546 HG12 ILE 70 HG12 ILE 70 -17.023 -10.051 2.809 547 HG13 ILE 70 HG13 ILE 70 -17.987 -8.707 2.211 548 HG21 ILE 70 HG21 ILE 70 -17.069 -7.138 0.551 549 HG22 ILE 70 HG22 ILE 70 -16.747 -8.437 -0.598 550 HG23 ILE 70 HG23 ILE 70 -15.443 -7.362 -0.096 551 HD11 ILE 70 HD11 ILE 70 -18.880 -10.784 1.395 552 HD12 ILE 70 HD12 ILE 70 -17.317 -11.242 0.728 553 HD13 ILE 70 HD13 ILE 70 -18.199 -9.876 0.044 554 H TYR 71 H TYR 71 -13.087 -8.375 1.753 555 HA TYR 71 HA TYR 71 -12.175 -7.331 -0.681 556 HB2 TYR 71 HB2 TYR 71 -11.536 -6.275 1.393 557 HB3 TYR 71 HB3 TYR 71 -10.715 -7.735 1.937 558 HD1 TYR 71 HD1 TYR 71 -10.594 -5.069 -0.651 559 HD2 TYR 71 HD2 TYR 71 -8.447 -8.085 1.437 560 HE1 TYR 71 HE1 TYR 71 -8.497 -4.267 -1.653 561 HE2 TYR 71 HE2 TYR 71 -6.347 -7.289 0.444 562 HH TYR 71 HH TYR 71 -5.797 -5.969 -1.834 563 H ASP 72 H ASP 72 -11.087 -10.106 1.176 564 HA ASP 72 HA ASP 72 -8.875 -10.824 -0.371 565 HB2 ASP 72 HB2 ASP 72 -9.395 -11.698 1.883 566 HB3 ASP 72 HB3 ASP 72 -10.715 -12.634 1.195 567 H GLN 73 H GLN 73 -12.253 -11.815 -0.627 568 HA GLN 73 HA GLN 73 -11.889 -13.786 -2.626 569 HB2 GLN 73 HB2 GLN 73 -14.315 -12.235 -1.758 570 HB3 GLN 73 HB3 GLN 73 -14.369 -13.509 -2.968 571 HG2 GLN 73 HG2 GLN 73 -13.617 -15.130 -1.360 572 HG3 GLN 73 HG3 GLN 73 -13.397 -13.858 -0.155 573 HE21 GLN 73 HE21 GLN 73 -15.147 -13.027 0.884 574 HE22 GLN 73 HE22 GLN 73 -16.726 -13.728 0.807 575 H PHE 74 H PHE 74 -12.707 -10.359 -2.791 576 HA PHE 74 HA PHE 74 -12.924 -10.534 -5.681 577 HB2 PHE 74 HB2 PHE 74 -13.252 -8.192 -3.804 578 HB3 PHE 74 HB3 PHE 74 -13.422 -8.082 -5.553 579 HD1 PHE 74 HD1 PHE 74 -15.117 -8.651 -2.510 580 HD2 PHE 74 HD2 PHE 74 -15.138 -9.718 -6.623 581 HE1 PHE 74 HE1 PHE 74 -17.478 -9.325 -2.321 582 HE2 PHE 74 HE2 PHE 74 -17.494 -10.388 -6.444 583 HZ PHE 74 HZ PHE 74 -18.668 -10.190 -4.289 584 H GLY 75 H GLY 75 -10.527 -9.929 -3.386 585 HA2 GLY 75 HA2 GLY 75 -8.237 -9.862 -3.938 586 HA3 GLY 75 HA3 GLY 75 -8.659 -9.302 -5.548 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 7.893 6.286 -6.642 2 H2 GLY 1 HT2 GLY 1 9.099 6.606 -7.785 3 H3 GLY 1 HT3 GLY 1 8.763 5.017 -7.337 4 HA2 GLY 1 HA3 GLY 1 6.572 5.162 -8.309 5 HA3 GLY 1 HA2 GLY 1 6.923 6.821 -8.778 6 H GLU 2 H GLU 2 6.554 6.219 -10.976 7 HA GLU 2 HA GLU 2 7.221 5.670 -13.081 8 HB2 GLU 2 HB2 GLU 2 9.958 5.566 -11.799 9 HB3 GLU 2 HB3 GLU 2 9.638 5.671 -13.522 10 HG2 GLU 2 HG2 GLU 2 8.734 7.859 -13.298 11 HG3 GLU 2 HG3 GLU 2 8.760 7.749 -11.539 12 H PHE 3 H PHE 3 6.205 3.538 -11.622 13 HA PHE 3 HA PHE 3 7.674 1.314 -12.805 14 HB2 PHE 3 HB2 PHE 3 7.635 -0.024 -10.787 15 HB3 PHE 3 HB3 PHE 3 8.471 1.487 -10.456 16 HD1 PHE 3 HD1 PHE 3 5.496 -0.523 -9.770 17 HD2 PHE 3 HD2 PHE 3 7.495 3.141 -8.965 18 HE1 PHE 3 HE1 PHE 3 4.016 -0.148 -7.844 19 HE2 PHE 3 HE2 PHE 3 6.016 3.524 -7.035 20 HZ PHE 3 HZ PHE 3 4.275 1.879 -6.473 21 H GLY 4 H GLY 4 6.413 -0.654 -12.890 22 HA2 GLY 4 HA2 GLY 4 3.525 -0.094 -12.866 23 HA3 GLY 4 HA3 GLY 4 4.310 -1.164 -14.021 24 H SER 5 H SER 5 2.204 -1.491 -11.825 25 HA SER 5 HA SER 5 3.516 -3.510 -10.188 26 HB2 SER 5 HB2 SER 5 2.001 -1.904 -9.081 27 HB3 SER 5 HB3 SER 5 0.683 -2.422 -10.130 28 HG SER 5 HG SER 5 0.700 -4.409 -9.150 29 H MET 6 H MET 6 3.638 -5.510 -11.027 30 HA MET 6 HA MET 6 1.656 -6.284 -13.026 31 HB2 MET 6 HB2 MET 6 4.050 -6.515 -13.604 32 HB3 MET 6 HB3 MET 6 4.259 -7.628 -12.265 33 HG2 MET 6 HG2 MET 6 2.285 -8.213 -14.441 34 HG3 MET 6 HG3 MET 6 3.997 -8.554 -14.663 35 HE1 MET 6 HE1 MET 6 4.721 -11.283 -12.021 36 HE2 MET 6 HE2 MET 6 5.016 -9.550 -11.894 37 HE3 MET 6 HE3 MET 6 5.325 -10.388 -13.415 38 H VAL 7 H VAL 7 -0.036 -7.228 -12.327 39 HA VAL 7 HA VAL 7 -1.530 -8.306 -10.928 40 HB VAL 7 HB VAL 7 0.426 -10.584 -11.282 41 HG11 VAL 7 HG11 VAL 7 -2.580 -10.513 -11.061 42 HG12 VAL 7 HG12 VAL 7 -1.450 -11.109 -9.844 43 HG13 VAL 7 HG13 VAL 7 -1.616 -11.954 -11.383 44 HG21 VAL 7 HG21 VAL 7 0.152 -9.481 -13.420 45 HG22 VAL 7 HG22 VAL 7 -1.601 -9.522 -13.243 46 HG23 VAL 7 HG23 VAL 7 -0.698 -11.025 -13.426 47 H LYS 8 H LYS 8 -0.740 -6.918 -9.091 48 HA LYS 8 HA LYS 8 0.565 -8.565 -7.045 49 HB2 LYS 8 HB2 LYS 8 0.570 -5.566 -7.284 50 HB3 LYS 8 HB3 LYS 8 1.043 -6.412 -5.818 51 HG2 LYS 8 HG2 LYS 8 2.813 -7.561 -7.072 52 HG3 LYS 8 HG3 LYS 8 2.353 -6.657 -8.516 53 HD2 LYS 8 HD2 LYS 8 2.867 -4.560 -7.371 54 HD3 LYS 8 HD3 LYS 8 3.309 -5.457 -5.916 55 HE2 LYS 8 HE2 LYS 8 5.095 -6.571 -7.160 56 HE3 LYS 8 HE3 LYS 8 4.649 -5.667 -8.603 57 HZ1 LYS 8 HZ1 LYS 8 6.517 -4.646 -7.505 58 HZ2 LYS 8 HZ2 LYS 8 5.653 -4.506 -6.064 59 HZ3 LYS 8 HZ3 LYS 8 5.183 -3.619 -7.421 60 H GLU 9 H GLU 9 -0.795 -9.413 -5.641 61 HA GLU 9 HA GLU 9 -3.009 -7.706 -4.750 62 HB2 GLU 9 HB2 GLU 9 -4.240 -9.752 -4.170 63 HB3 GLU 9 HB3 GLU 9 -3.852 -9.709 -5.879 64 HG2 GLU 9 HG2 GLU 9 -2.232 -11.243 -3.865 65 HG3 GLU 9 HG3 GLU 9 -3.605 -11.930 -4.728 66 H THR 10 H THR 10 -3.757 -8.662 -2.477 67 HA THR 10 HA THR 10 -3.367 -8.573 -0.276 68 HB THR 10 HB THR 10 -1.662 -10.066 0.685 69 HG1 THR 10 HG1 THR 10 -0.572 -9.895 -1.898 70 HG21 THR 10 HG21 THR 10 -2.359 -12.160 -0.408 71 HG22 THR 10 HG22 THR 10 -3.013 -11.227 -1.753 72 HG23 THR 10 HG23 THR 10 -3.719 -11.067 -0.146 73 H LYS 11 H LYS 11 -2.107 -6.637 -2.048 74 HA LYS 11 HA LYS 11 0.309 -5.596 -1.127 75 HB2 LYS 11 HB2 LYS 11 -2.072 -4.173 -2.291 76 HB3 LYS 11 HB3 LYS 11 -0.538 -3.381 -1.963 77 HG2 LYS 11 HG2 LYS 11 0.584 -4.789 -3.560 78 HG3 LYS 11 HG3 LYS 11 -0.878 -5.751 -3.790 79 HD2 LYS 11 HD2 LYS 11 -0.643 -4.207 -5.634 80 HD3 LYS 11 HD3 LYS 11 -2.024 -3.728 -4.647 81 HE2 LYS 11 HE2 LYS 11 -0.646 -2.026 -3.550 82 HE3 LYS 11 HE3 LYS 11 0.735 -2.514 -4.532 83 HZ1 LYS 11 HZ1 LYS 11 -0.504 -1.865 -6.508 84 HZ2 LYS 11 HZ2 LYS 11 -0.338 -0.563 -5.445 85 HZ3 LYS 11 HZ3 LYS 11 -1.812 -1.384 -5.548 86 H PHE 12 H PHE 12 -2.925 -5.174 0.103 87 HA PHE 12 HA PHE 12 -2.194 -3.060 1.864 88 HB2 PHE 12 HB2 PHE 12 -4.660 -4.730 1.582 89 HB3 PHE 12 HB3 PHE 12 -4.447 -3.672 2.976 90 HD1 PHE 12 HD1 PHE 12 -3.305 -1.283 2.022 91 HD2 PHE 12 HD2 PHE 12 -6.126 -3.792 0.066 92 HE1 PHE 12 HE1 PHE 12 -4.132 0.649 0.762 93 HE2 PHE 12 HE2 PHE 12 -6.956 -1.856 -1.209 94 HZ PHE 12 HZ PHE 12 -5.955 0.373 -0.846 95 H TYR 13 H TYR 13 -2.157 -6.508 2.043 96 HA TYR 13 HA TYR 13 -1.900 -6.647 4.911 97 HB2 TYR 13 HB2 TYR 13 -1.082 -8.652 2.786 98 HB3 TYR 13 HB3 TYR 13 -1.061 -8.961 4.519 99 HD1 TYR 13 HD1 TYR 13 -3.014 -8.972 1.534 100 HD2 TYR 13 HD2 TYR 13 -3.288 -8.932 5.763 101 HE1 TYR 13 HE1 TYR 13 -5.324 -9.781 1.377 102 HE2 TYR 13 HE2 TYR 13 -5.605 -9.740 5.628 103 HH TYR 13 HH TYR 13 -7.468 -9.686 3.918 104 H ASP 14 H ASP 14 0.279 -6.734 2.137 105 HA ASP 14 HA ASP 14 2.737 -6.809 3.447 106 HB2 ASP 14 HB2 ASP 14 1.917 -5.519 0.858 107 HB3 ASP 14 HB3 ASP 14 3.581 -5.543 1.402 108 H ILE 15 H ILE 15 0.770 -4.037 2.496 109 HA ILE 15 HA ILE 15 2.574 -2.060 3.307 110 HB ILE 15 HB ILE 15 -0.394 -2.078 2.926 111 HG12 ILE 15 HG12 ILE 15 1.782 -0.700 1.351 112 HG13 ILE 15 HG13 ILE 15 1.112 -2.304 0.970 113 HG21 ILE 15 HG21 ILE 15 0.039 -0.360 4.612 114 HG22 ILE 15 HG22 ILE 15 -0.360 0.403 3.073 115 HG23 ILE 15 HG23 ILE 15 1.318 0.326 3.611 116 HD11 ILE 15 HD11 ILE 15 -0.404 0.303 1.005 117 HD12 ILE 15 HD12 ILE 15 -1.083 -1.282 0.636 118 HD13 ILE 15 HD13 ILE 15 0.134 -0.576 -0.427 119 H LEU 16 H LEU 16 -0.260 -3.323 5.100 120 HA LEU 16 HA LEU 16 0.388 -1.951 7.464 121 HB2 LEU 16 HB2 LEU 16 -1.307 -4.399 7.073 122 HB3 LEU 16 HB3 LEU 16 -1.123 -3.604 8.624 123 HG LEU 16 HG LEU 16 -2.353 -2.382 6.140 124 HD11 LEU 16 HD11 LEU 16 -3.704 -4.125 7.217 125 HD12 LEU 16 HD12 LEU 16 -4.428 -2.523 7.339 126 HD13 LEU 16 HD13 LEU 16 -3.615 -3.231 8.734 127 HD21 LEU 16 HD21 LEU 16 -2.966 -0.534 7.644 128 HD22 LEU 16 HD22 LEU 16 -1.219 -0.688 7.471 129 HD23 LEU 16 HD23 LEU 16 -2.014 -1.276 8.931 130 H GLY 17 H GLY 17 1.654 -4.933 6.238 131 HA2 GLY 17 HA2 GLY 17 3.643 -5.916 7.060 132 HA3 GLY 17 HA3 GLY 17 3.411 -5.057 8.578 133 H VAL 18 H VAL 18 0.708 -6.566 7.289 134 HA VAL 18 HA VAL 18 0.854 -8.678 9.339 135 HB VAL 18 HB VAL 18 -1.614 -8.842 9.130 136 HG11 VAL 18 HG11 VAL 18 -2.135 -6.771 10.288 137 HG12 VAL 18 HG12 VAL 18 -0.604 -6.083 9.745 138 HG13 VAL 18 HG13 VAL 18 -0.609 -7.456 10.852 139 HG21 VAL 18 HG21 VAL 18 -1.345 -6.414 7.361 140 HG22 VAL 18 HG22 VAL 18 -2.859 -7.106 7.943 141 HG23 VAL 18 HG23 VAL 18 -1.837 -8.021 6.835 142 HA PRO 19 HA PRO 19 0.946 -11.763 6.148 143 HB2 PRO 19 HB2 PRO 19 -0.448 -13.769 7.307 144 HB3 PRO 19 HB3 PRO 19 1.187 -13.335 7.836 145 HG2 PRO 19 HG2 PRO 19 -1.458 -12.560 9.000 146 HG3 PRO 19 HG3 PRO 19 -0.007 -13.147 9.835 147 HD2 PRO 19 HD2 PRO 19 -0.640 -10.529 9.734 148 HD3 PRO 19 HD3 PRO 19 1.047 -11.066 9.689 149 H VAL 20 H VAL 20 -0.459 -12.892 4.636 150 HA VAL 20 HA VAL 20 -2.812 -11.546 3.957 151 HB VAL 20 HB VAL 20 -1.961 -14.376 3.270 152 HG11 VAL 20 HG11 VAL 20 -3.441 -14.173 1.334 153 HG12 VAL 20 HG12 VAL 20 -3.967 -12.590 1.903 154 HG13 VAL 20 HG13 VAL 20 -4.333 -14.030 2.850 155 HG21 VAL 20 HG21 VAL 20 -1.519 -11.793 1.783 156 HG22 VAL 20 HG22 VAL 20 -1.100 -13.399 1.189 157 HG23 VAL 20 HG23 VAL 20 -0.288 -12.744 2.611 158 H THR 21 H THR 21 -2.092 -14.277 5.943 159 HA THR 21 HA THR 21 -4.858 -15.025 6.426 160 HB THR 21 HB THR 21 -2.425 -16.115 7.841 161 HG1 THR 21 HG1 THR 21 -3.490 -16.901 5.300 162 HG21 THR 21 HG21 THR 21 -4.634 -16.844 8.656 163 HG22 THR 21 HG22 THR 21 -3.774 -18.183 7.895 164 HG23 THR 21 HG23 THR 21 -5.070 -17.359 7.027 165 H ALA 22 H ALA 22 -3.604 -12.365 7.319 166 HA ALA 22 HA ALA 22 -3.170 -12.336 10.073 167 HB1 ALA 22 HB1 ALA 22 -2.557 -10.525 8.524 168 HB2 ALA 22 HB2 ALA 22 -3.426 -9.961 9.953 169 HB3 ALA 22 HB3 ALA 22 -4.261 -10.089 8.403 170 H THR 23 H THR 23 -4.379 -11.783 11.780 171 HA THR 23 HA THR 23 -7.236 -12.233 11.544 172 HB THR 23 HB THR 23 -7.186 -12.307 14.017 173 HG1 THR 23 HG1 THR 23 -4.828 -12.446 14.809 174 HG21 THR 23 HG21 THR 23 -6.816 -14.380 12.776 175 HG22 THR 23 HG22 THR 23 -5.861 -14.368 14.258 176 HG23 THR 23 HG23 THR 23 -5.087 -14.042 12.707 177 H ASP 24 H ASP 24 -8.650 -10.744 12.896 178 HA ASP 24 HA ASP 24 -8.452 -8.118 12.085 179 HB2 ASP 24 HB2 ASP 24 -9.912 -9.354 14.427 180 HB3 ASP 24 HB3 ASP 24 -10.117 -7.683 13.924 181 H VAL 25 H VAL 25 -7.257 -9.717 14.999 182 HA VAL 25 HA VAL 25 -6.622 -7.425 16.492 183 HB VAL 25 HB VAL 25 -5.417 -10.200 16.513 184 HG11 VAL 25 HG11 VAL 25 -3.772 -8.616 17.380 185 HG12 VAL 25 HG12 VAL 25 -4.423 -9.614 18.680 186 HG13 VAL 25 HG13 VAL 25 -4.979 -7.951 18.481 187 HG21 VAL 25 HG21 VAL 25 -7.337 -8.842 18.401 188 HG22 VAL 25 HG22 VAL 25 -6.748 -10.500 18.525 189 HG23 VAL 25 HG23 VAL 25 -7.776 -10.028 17.175 190 H GLU 26 H GLU 26 -4.552 -9.407 14.286 191 HA GLU 26 HA GLU 26 -2.276 -7.797 14.481 192 HB2 GLU 26 HB2 GLU 26 -3.259 -9.589 12.267 193 HB3 GLU 26 HB3 GLU 26 -1.691 -8.785 12.217 194 HG2 GLU 26 HG2 GLU 26 -2.629 -10.772 14.263 195 HG3 GLU 26 HG3 GLU 26 -1.442 -11.043 12.986 196 H ILE 27 H ILE 27 -5.090 -7.589 12.484 197 HA ILE 27 HA ILE 27 -4.176 -5.605 10.725 198 HB ILE 27 HB ILE 27 -6.928 -6.510 11.583 199 HG12 ILE 27 HG12 ILE 27 -5.477 -6.813 8.947 200 HG13 ILE 27 HG13 ILE 27 -5.391 -7.997 10.243 201 HG21 ILE 27 HG21 ILE 27 -6.221 -4.498 9.425 202 HG22 ILE 27 HG22 ILE 27 -7.094 -4.150 10.918 203 HG23 ILE 27 HG23 ILE 27 -7.820 -5.190 9.693 204 HD11 ILE 27 HD11 ILE 27 -6.994 -8.606 8.501 205 HD12 ILE 27 HD12 ILE 27 -7.911 -7.138 8.846 206 HD13 ILE 27 HD13 ILE 27 -7.762 -8.396 10.073 207 H LYS 28 H LYS 28 -5.941 -5.425 13.805 208 HA LYS 28 HA LYS 28 -6.357 -2.644 13.905 209 HB2 LYS 28 HB2 LYS 28 -5.956 -4.670 16.129 210 HB3 LYS 28 HB3 LYS 28 -6.506 -3.026 16.389 211 HG2 LYS 28 HG2 LYS 28 -7.978 -5.010 14.675 212 HG3 LYS 28 HG3 LYS 28 -8.279 -4.799 16.399 213 HD2 LYS 28 HD2 LYS 28 -8.434 -2.562 14.406 214 HD3 LYS 28 HD3 LYS 28 -9.828 -3.548 14.856 215 HE2 LYS 28 HE2 LYS 28 -9.425 -2.882 17.229 216 HE3 LYS 28 HE3 LYS 28 -8.160 -1.793 16.661 217 HZ1 LYS 28 HZ1 LYS 28 -9.831 -0.632 15.333 218 HZ2 LYS 28 HZ2 LYS 28 -10.225 -0.609 16.979 219 HZ3 LYS 28 HZ3 LYS 28 -11.031 -1.660 15.936 220 H LYS 29 H LYS 29 -3.798 -4.665 15.261 221 HA LYS 29 HA LYS 29 -2.371 -2.498 16.435 222 HB2 LYS 29 HB2 LYS 29 -0.542 -4.158 16.820 223 HB3 LYS 29 HB3 LYS 29 -2.108 -4.638 17.451 224 HG2 LYS 29 HG2 LYS 29 -2.404 -6.004 15.362 225 HG3 LYS 29 HG3 LYS 29 -0.705 -5.673 15.003 226 HD2 LYS 29 HD2 LYS 29 -1.554 -6.830 17.642 227 HD3 LYS 29 HD3 LYS 29 -1.297 -7.859 16.236 228 HE2 LYS 29 HE2 LYS 29 0.762 -5.949 17.315 229 HE3 LYS 29 HE3 LYS 29 0.666 -7.646 17.777 230 HZ1 LYS 29 HZ1 LYS 29 0.874 -8.172 15.350 231 HZ2 LYS 29 HZ2 LYS 29 2.246 -7.472 16.050 232 HZ3 LYS 29 HZ3 LYS 29 1.236 -6.535 15.087 233 H ALA 30 H ALA 30 -2.000 -4.193 13.406 234 HA ALA 30 HA ALA 30 0.357 -2.967 12.596 235 HB1 ALA 30 HB1 ALA 30 -1.899 -3.859 10.824 236 HB2 ALA 30 HB2 ALA 30 -0.655 -4.917 11.488 237 HB3 ALA 30 HB3 ALA 30 -0.210 -3.631 10.367 238 H TYR 31 H TYR 31 -3.027 -2.040 12.263 239 HA TYR 31 HA TYR 31 -2.590 0.293 10.766 240 HB2 TYR 31 HB2 TYR 31 -4.803 -0.588 10.889 241 HB3 TYR 31 HB3 TYR 31 -4.807 -0.534 12.653 242 HD1 TYR 31 HD1 TYR 31 -4.638 1.643 9.628 243 HD2 TYR 31 HD2 TYR 31 -5.643 1.369 13.752 244 HE1 TYR 31 HE1 TYR 31 -5.627 3.895 9.535 245 HE2 TYR 31 HE2 TYR 31 -6.633 3.616 13.666 246 HH TYR 31 HH TYR 31 -6.374 5.680 12.267 247 H ARG 32 H ARG 32 -2.841 -0.385 14.198 248 HA ARG 32 HA ARG 32 -2.621 2.209 15.203 249 HB2 ARG 32 HB2 ARG 32 -1.695 -0.431 16.322 250 HB3 ARG 32 HB3 ARG 32 -1.704 1.066 17.240 251 HG2 ARG 32 HG2 ARG 32 -4.149 -0.072 15.953 252 HG3 ARG 32 HG3 ARG 32 -3.646 -0.498 17.586 253 HD2 ARG 32 HD2 ARG 32 -3.711 1.895 18.184 254 HD3 ARG 32 HD3 ARG 32 -4.238 2.274 16.548 255 HE ARG 32 HE ARG 32 -6.340 1.379 17.018 256 HH11 ARG 32 HH11 ARG 32 -4.226 1.150 19.816 257 HH12 ARG 32 HH12 ARG 32 -5.515 0.777 20.909 258 HH21 ARG 32 HH21 ARG 32 -8.029 0.895 18.468 259 HH22 ARG 32 HH22 ARG 32 -7.682 0.631 20.143 260 H LYS 33 H LYS 33 -0.103 -0.186 14.513 261 HA LYS 33 HA LYS 33 1.981 1.576 15.387 262 HB2 LYS 33 HB2 LYS 33 3.527 -0.071 14.733 263 HB3 LYS 33 HB3 LYS 33 2.119 -0.940 15.327 264 HG2 LYS 33 HG2 LYS 33 1.404 -1.315 13.001 265 HG3 LYS 33 HG3 LYS 33 2.867 -0.474 12.466 266 HD2 LYS 33 HD2 LYS 33 4.250 -2.156 13.562 267 HD3 LYS 33 HD3 LYS 33 2.800 -2.997 14.115 268 HE2 LYS 33 HE2 LYS 33 2.145 -3.392 11.787 269 HE3 LYS 33 HE3 LYS 33 3.591 -2.549 11.238 270 HZ1 LYS 33 HZ1 LYS 33 3.992 -4.882 11.167 271 HZ2 LYS 33 HZ2 LYS 33 3.483 -5.090 12.765 272 HZ3 LYS 33 HZ3 LYS 33 4.907 -4.247 12.436 273 H CYS 34 H CYS 34 0.679 0.739 12.194 274 HA CYS 34 HA CYS 34 2.628 2.197 10.764 275 HB2 CYS 34 HB2 CYS 34 -0.209 1.464 10.052 276 HB3 CYS 34 HB3 CYS 34 0.890 2.263 8.929 277 HG CYS 34 HG CYS 34 0.785 -0.928 9.936 278 H ALA 35 H ALA 35 -0.559 3.175 11.964 279 HA ALA 35 HA ALA 35 -0.402 5.806 10.911 280 HB1 ALA 35 HB1 ALA 35 -2.097 4.673 13.137 281 HB2 ALA 35 HB2 ALA 35 -2.542 4.823 11.435 282 HB3 ALA 35 HB3 ALA 35 -2.308 6.267 12.421 283 H LEU 36 H LEU 36 0.161 4.495 14.163 284 HA LEU 36 HA LEU 36 0.798 6.980 15.347 285 HB2 LEU 36 HB2 LEU 36 1.502 4.185 16.185 286 HB3 LEU 36 HB3 LEU 36 1.916 5.601 17.130 287 HG LEU 36 HG LEU 36 -0.902 4.802 16.403 288 HD11 LEU 36 HD11 LEU 36 0.090 3.155 17.882 289 HD12 LEU 36 HD12 LEU 36 -1.108 4.120 18.744 290 HD13 LEU 36 HD13 LEU 36 0.612 4.432 18.981 291 HD21 LEU 36 HD21 LEU 36 -1.523 6.442 18.131 292 HD22 LEU 36 HD22 LEU 36 -0.669 7.190 16.782 293 HD23 LEU 36 HD23 LEU 36 0.175 6.888 18.301 294 H LYS 37 H LYS 37 2.835 4.572 13.815 295 HA LYS 37 HA LYS 37 5.286 5.766 14.530 296 HB2 LYS 37 HB2 LYS 37 4.529 3.879 12.308 297 HB3 LYS 37 HB3 LYS 37 6.185 4.429 12.572 298 HG2 LYS 37 HG2 LYS 37 6.244 3.365 14.732 299 HG3 LYS 37 HG3 LYS 37 4.525 2.987 14.635 300 HD2 LYS 37 HD2 LYS 37 5.829 1.022 14.141 301 HD3 LYS 37 HD3 LYS 37 4.981 1.557 12.692 302 HE2 LYS 37 HE2 LYS 37 7.018 2.631 11.870 303 HE3 LYS 37 HE3 LYS 37 7.873 2.169 13.337 304 HZ1 LYS 37 HZ1 LYS 37 8.392 0.685 11.529 305 HZ2 LYS 37 HZ2 LYS 37 6.761 0.297 11.312 306 HZ3 LYS 37 HZ3 LYS 37 7.556 -0.152 12.731 307 H TYR 38 H TYR 38 3.173 6.223 11.692 308 HA TYR 38 HA TYR 38 5.064 8.298 10.735 309 HB2 TYR 38 HB2 TYR 38 3.127 6.574 9.208 310 HB3 TYR 38 HB3 TYR 38 4.233 7.736 8.486 311 HD1 TYR 38 HD1 TYR 38 3.806 4.415 9.795 312 HD2 TYR 38 HD2 TYR 38 6.734 7.303 8.703 313 HE1 TYR 38 HE1 TYR 38 5.503 2.649 9.728 314 HE2 TYR 38 HE2 TYR 38 8.445 5.538 8.624 315 HH TYR 38 HH TYR 38 7.703 2.263 8.575 316 H HIS 39 H HIS 39 2.462 8.554 12.483 317 HA HIS 39 HA HIS 39 0.598 9.957 10.877 318 HB2 HIS 39 HB2 HIS 39 -0.366 10.779 12.994 319 HB3 HIS 39 HB3 HIS 39 -0.054 9.050 13.046 320 HD2 HIS 39 HD2 HIS 39 3.282 9.853 13.819 321 HE1 HIS 39 HE1 HIS 39 1.385 10.826 17.468 322 HE2 HIS 39 HE2 HIS 39 3.452 9.921 16.376 323 HA PRO 40 HA PRO 40 2.572 13.875 10.197 324 HB2 PRO 40 HB2 PRO 40 0.344 15.429 9.885 325 HB3 PRO 40 HB3 PRO 40 0.941 14.322 8.638 326 HG2 PRO 40 HG2 PRO 40 -1.242 13.907 10.649 327 HG3 PRO 40 HG3 PRO 40 -1.230 13.523 8.918 328 HD2 PRO 40 HD2 PRO 40 -0.821 11.629 10.766 329 HD3 PRO 40 HD3 PRO 40 0.061 11.616 9.222 330 H ASP 41 H ASP 41 0.423 13.285 12.799 331 HA ASP 41 HA ASP 41 0.426 15.794 14.069 332 HB2 ASP 41 HB2 ASP 41 0.106 13.016 15.212 333 HB3 ASP 41 HB3 ASP 41 -0.109 14.488 16.151 334 H LYS 42 H LYS 42 2.862 13.338 13.859 335 HA LYS 42 HA LYS 42 4.551 14.976 15.564 336 HB2 LYS 42 HB2 LYS 42 4.306 11.985 15.859 337 HB3 LYS 42 HB3 LYS 42 5.640 12.912 16.530 338 HG2 LYS 42 HG2 LYS 42 3.682 14.303 17.626 339 HG3 LYS 42 HG3 LYS 42 2.789 12.804 17.370 340 HD2 LYS 42 HD2 LYS 42 5.402 13.059 18.869 341 HD3 LYS 42 HD3 LYS 42 3.811 12.911 19.609 342 HE2 LYS 42 HE2 LYS 42 3.544 10.711 18.571 343 HE3 LYS 42 HE3 LYS 42 5.140 10.867 17.837 344 HZ1 LYS 42 HZ1 LYS 42 5.339 9.558 19.803 345 HZ2 LYS 42 HZ2 LYS 42 4.521 10.703 20.735 346 HZ3 LYS 42 HZ3 LYS 42 6.050 11.059 20.121 347 H ASN 43 H ASN 43 4.200 12.737 12.955 348 HA ASN 43 HA ASN 43 6.987 12.985 12.174 349 HB2 ASN 43 HB2 ASN 43 4.686 11.453 10.953 350 HB3 ASN 43 HB3 ASN 43 6.349 11.396 10.391 351 HD21 ASN 43 HD21 ASN 43 7.807 10.139 11.439 352 HD22 ASN 43 HD22 ASN 43 7.381 9.098 12.757 353 HA PRO 44 HA PRO 44 5.469 16.473 9.791 354 HB2 PRO 44 HB2 PRO 44 7.844 17.571 9.225 355 HB3 PRO 44 HB3 PRO 44 7.168 17.627 10.857 356 HG2 PRO 44 HG2 PRO 44 9.245 15.784 9.734 357 HG3 PRO 44 HG3 PRO 44 9.228 16.629 11.292 358 HD2 PRO 44 HD2 PRO 44 8.507 14.003 10.973 359 HD3 PRO 44 HD3 PRO 44 7.878 15.059 12.276 360 H SER 45 H SER 45 6.958 13.719 8.657 361 HA SER 45 HA SER 45 7.665 14.675 6.042 362 HB2 SER 45 HB2 SER 45 7.176 11.831 6.604 363 HB3 SER 45 HB3 SER 45 8.431 12.573 5.632 364 HG SER 45 HG SER 45 9.422 13.322 7.568 365 H GLU 46 H GLU 46 6.471 14.774 4.376 366 HA GLU 46 HA GLU 46 3.676 14.476 4.443 367 HB2 GLU 46 HB2 GLU 46 5.562 14.818 2.117 368 HB3 GLU 46 HB3 GLU 46 3.813 14.818 1.955 369 HG2 GLU 46 HG2 GLU 46 3.665 16.758 3.414 370 HG3 GLU 46 HG3 GLU 46 5.417 16.752 3.602 371 H GLU 47 H GLU 47 6.256 12.500 3.196 372 HA GLU 47 HA GLU 47 4.826 10.515 1.843 373 HB2 GLU 47 HB2 GLU 47 7.369 10.396 3.440 374 HB3 GLU 47 HB3 GLU 47 6.820 9.109 2.372 375 HG2 GLU 47 HG2 GLU 47 6.990 10.589 0.460 376 HG3 GLU 47 HG3 GLU 47 7.472 11.919 1.509 377 H ALA 48 H ALA 48 5.727 10.875 5.200 378 HA ALA 48 HA ALA 48 4.783 8.404 6.181 379 HB1 ALA 48 HB1 ALA 48 5.090 11.072 7.566 380 HB2 ALA 48 HB2 ALA 48 6.288 9.779 7.504 381 HB3 ALA 48 HB3 ALA 48 4.785 9.550 8.396 382 H ALA 49 H ALA 49 3.351 11.477 5.763 383 HA ALA 49 HA ALA 49 0.800 10.865 6.854 384 HB1 ALA 49 HB1 ALA 49 1.475 12.918 4.741 385 HB2 ALA 49 HB2 ALA 49 1.521 13.182 6.483 386 HB3 ALA 49 HB3 ALA 49 -0.015 12.854 5.682 387 H GLU 50 H GLU 50 2.179 10.620 3.637 388 HA GLU 50 HA GLU 50 -0.128 9.866 2.205 389 HB2 GLU 50 HB2 GLU 50 2.738 9.063 1.686 390 HB3 GLU 50 HB3 GLU 50 1.425 9.021 0.520 391 HG2 GLU 50 HG2 GLU 50 1.225 11.504 0.845 392 HG3 GLU 50 HG3 GLU 50 2.738 11.403 1.768 393 H LYS 51 H LYS 51 2.381 7.987 3.778 394 HA LYS 51 HA LYS 51 1.280 5.466 3.077 395 HB2 LYS 51 HB2 LYS 51 2.827 4.516 4.776 396 HB3 LYS 51 HB3 LYS 51 3.605 5.517 3.558 397 HG2 LYS 51 HG2 LYS 51 3.556 7.339 5.241 398 HG3 LYS 51 HG3 LYS 51 3.009 6.144 6.417 399 HD2 LYS 51 HD2 LYS 51 5.556 5.933 4.808 400 HD3 LYS 51 HD3 LYS 51 5.460 6.518 6.471 401 HE2 LYS 51 HE2 LYS 51 6.066 4.290 6.734 402 HE3 LYS 51 HE3 LYS 51 4.320 4.265 6.977 403 HZ1 LYS 51 HZ1 LYS 51 5.737 3.550 4.453 404 HZ2 LYS 51 HZ2 LYS 51 4.069 3.453 4.694 405 HZ3 LYS 51 HZ3 LYS 51 5.109 2.444 5.557 406 H PHE 52 H PHE 52 0.844 7.557 5.810 407 HA PHE 52 HA PHE 52 -0.750 5.967 7.414 408 HB2 PHE 52 HB2 PHE 52 -0.075 8.135 8.189 409 HB3 PHE 52 HB3 PHE 52 -0.887 8.931 6.842 410 HD1 PHE 52 HD1 PHE 52 -1.479 7.036 9.959 411 HD2 PHE 52 HD2 PHE 52 -3.153 9.530 6.959 412 HE1 PHE 52 HE1 PHE 52 -3.523 7.293 11.312 413 HE2 PHE 52 HE2 PHE 52 -5.189 9.792 8.304 414 HZ PHE 52 HZ PHE 52 -5.375 8.672 10.484 415 H LYS 53 H LYS 53 -1.669 7.938 4.597 416 HA LYS 53 HA LYS 53 -4.451 7.500 4.737 417 HB2 LYS 53 HB2 LYS 53 -2.708 8.082 2.346 418 HB3 LYS 53 HB3 LYS 53 -4.462 8.135 2.331 419 HG2 LYS 53 HG2 LYS 53 -2.662 9.879 3.997 420 HG3 LYS 53 HG3 LYS 53 -3.479 10.350 2.507 421 HD2 LYS 53 HD2 LYS 53 -5.653 9.820 3.654 422 HD3 LYS 53 HD3 LYS 53 -4.734 9.626 5.148 423 HE2 LYS 53 HE2 LYS 53 -4.877 12.123 3.457 424 HE3 LYS 53 HE3 LYS 53 -5.691 11.866 4.998 425 HZ1 LYS 53 HZ1 LYS 53 -2.752 11.924 4.576 426 HZ2 LYS 53 HZ2 LYS 53 -3.526 11.678 6.062 427 HZ3 LYS 53 HZ3 LYS 53 -3.679 13.158 5.265 428 H GLU 54 H GLU 54 -1.927 5.730 2.944 429 HA GLU 54 HA GLU 54 -3.821 3.933 1.789 430 HB2 GLU 54 HB2 GLU 54 -1.871 2.616 1.060 431 HB3 GLU 54 HB3 GLU 54 -1.716 4.319 0.662 432 HG2 GLU 54 HG2 GLU 54 -0.311 4.571 2.701 433 HG3 GLU 54 HG3 GLU 54 -0.335 2.817 2.860 434 H ALA 55 H ALA 55 -1.916 3.908 4.716 435 HA ALA 55 HA ALA 55 -2.322 1.199 5.424 436 HB1 ALA 55 HB1 ALA 55 -1.865 3.575 7.230 437 HB2 ALA 55 HB2 ALA 55 -0.605 2.598 6.476 438 HB3 ALA 55 HB3 ALA 55 -1.678 1.879 7.676 439 H SER 56 H SER 56 -4.167 4.145 5.978 440 HA SER 56 HA SER 56 -6.012 2.968 7.760 441 HB2 SER 56 HB2 SER 56 -7.335 5.027 7.394 442 HB3 SER 56 HB3 SER 56 -5.657 5.365 7.798 443 HG SER 56 HG SER 56 -5.273 5.977 5.759 444 H ALA 57 H ALA 57 -5.944 3.368 4.248 445 HA ALA 57 HA ALA 57 -8.621 2.550 3.756 446 HB1 ALA 57 HB1 ALA 57 -6.190 2.277 1.977 447 HB2 ALA 57 HB2 ALA 57 -7.248 3.684 2.059 448 HB3 ALA 57 HB3 ALA 57 -7.870 2.147 1.457 449 H ALA 58 H ALA 58 -5.607 0.844 4.077 450 HA ALA 58 HA ALA 58 -6.420 -1.759 3.440 451 HB1 ALA 58 HB1 ALA 58 -4.065 -1.078 3.743 452 HB2 ALA 58 HB2 ALA 58 -4.479 -2.487 4.718 453 HB3 ALA 58 HB3 ALA 58 -4.357 -0.897 5.471 454 H TYR 59 H TYR 59 -6.314 0.033 6.459 455 HA TYR 59 HA TYR 59 -7.390 -1.913 8.144 456 HB2 TYR 59 HB2 TYR 59 -6.276 0.039 8.979 457 HB3 TYR 59 HB3 TYR 59 -7.490 1.105 8.280 458 HD1 TYR 59 HD1 TYR 59 -6.896 -1.520 10.809 459 HD2 TYR 59 HD2 TYR 59 -9.402 1.668 9.547 460 HE1 TYR 59 HE1 TYR 59 -8.052 -1.590 12.955 461 HE2 TYR 59 HE2 TYR 59 -10.582 1.602 11.704 462 HH TYR 59 HH TYR 59 -10.977 0.113 13.526 463 H GLU 60 H GLU 60 -8.901 0.459 6.066 464 HA GLU 60 HA GLU 60 -11.478 0.312 7.052 465 HB2 GLU 60 HB2 GLU 60 -10.500 0.827 4.253 466 HB3 GLU 60 HB3 GLU 60 -12.183 0.997 4.732 467 HG2 GLU 60 HG2 GLU 60 -9.844 2.528 5.827 468 HG3 GLU 60 HG3 GLU 60 -11.078 3.135 4.721 469 H ILE 61 H ILE 61 -9.871 -1.737 4.637 470 HA ILE 61 HA ILE 61 -12.338 -3.323 4.399 471 HB ILE 61 HB ILE 61 -11.019 -4.646 2.714 472 HG12 ILE 61 HG12 ILE 61 -9.091 -2.325 2.926 473 HG13 ILE 61 HG13 ILE 61 -8.773 -3.956 3.504 474 HG21 ILE 61 HG21 ILE 61 -11.472 -1.708 2.210 475 HG22 ILE 61 HG22 ILE 61 -12.653 -3.005 2.031 476 HG23 ILE 61 HG23 ILE 61 -11.259 -2.927 0.954 477 HD11 ILE 61 HD11 ILE 61 -9.289 -3.175 0.649 478 HD12 ILE 61 HD12 ILE 61 -8.930 -4.799 1.236 479 HD13 ILE 61 HD13 ILE 61 -7.716 -3.526 1.363 480 H LEU 62 H LEU 62 -8.982 -3.772 5.326 481 HA LEU 62 HA LEU 62 -9.207 -6.467 5.978 482 HB2 LEU 62 HB2 LEU 62 -7.365 -4.334 6.945 483 HB3 LEU 62 HB3 LEU 62 -7.104 -6.054 7.276 484 HG LEU 62 HG LEU 62 -7.120 -4.664 4.597 485 HD11 LEU 62 HD11 LEU 62 -4.775 -5.396 4.490 486 HD12 LEU 62 HD12 LEU 62 -4.910 -5.989 6.147 487 HD13 LEU 62 HD13 LEU 62 -5.097 -4.268 5.804 488 HD21 LEU 62 HD21 LEU 62 -6.804 -7.595 5.227 489 HD22 LEU 62 HD22 LEU 62 -6.475 -6.858 3.660 490 HD23 LEU 62 HD23 LEU 62 -8.111 -6.839 4.313 491 H SER 63 H SER 63 -9.721 -3.623 8.046 492 HA SER 63 HA SER 63 -9.981 -5.013 10.490 493 HB2 SER 63 HB2 SER 63 -9.626 -2.571 10.371 494 HB3 SER 63 HB3 SER 63 -11.222 -2.377 9.663 495 HG SER 63 HG SER 63 -12.159 -3.004 11.553 496 H ASP 64 H ASP 64 -11.955 -5.078 7.795 497 HA ASP 64 HA ASP 64 -14.195 -6.034 9.409 498 HB2 ASP 64 HB2 ASP 64 -14.305 -4.728 6.675 499 HB3 ASP 64 HB3 ASP 64 -15.673 -5.510 7.456 500 HA PRO 65 HA PRO 65 -12.350 -9.818 7.904 501 HB2 PRO 65 HB2 PRO 65 -14.969 -10.759 8.968 502 HB3 PRO 65 HB3 PRO 65 -13.343 -11.415 9.228 503 HG2 PRO 65 HG2 PRO 65 -14.501 -9.969 11.090 504 HG3 PRO 65 HG3 PRO 65 -12.769 -9.733 10.749 505 HD2 PRO 65 HD2 PRO 65 -15.133 -8.051 10.015 506 HD3 PRO 65 HD3 PRO 65 -13.490 -7.546 10.449 507 H GLU 66 H GLU 66 -15.556 -8.754 7.181 508 HA GLU 66 HA GLU 66 -15.962 -10.807 5.175 509 HB2 GLU 66 HB2 GLU 66 -17.601 -8.356 5.815 510 HB3 GLU 66 HB3 GLU 66 -18.019 -9.521 4.564 511 HG2 GLU 66 HG2 GLU 66 -17.765 -10.080 7.507 512 HG3 GLU 66 HG3 GLU 66 -19.261 -9.986 6.578 513 H LYS 67 H LYS 67 -14.903 -7.490 5.351 514 HA LYS 67 HA LYS 67 -14.844 -7.064 2.539 515 HB2 LYS 67 HB2 LYS 67 -13.753 -5.673 4.965 516 HB3 LYS 67 HB3 LYS 67 -13.551 -5.030 3.321 517 HG2 LYS 67 HG2 LYS 67 -16.164 -5.517 4.752 518 HG3 LYS 67 HG3 LYS 67 -15.377 -3.950 4.554 519 HD2 LYS 67 HD2 LYS 67 -15.554 -4.204 2.108 520 HD3 LYS 67 HD3 LYS 67 -16.410 -5.728 2.346 521 HE2 LYS 67 HE2 LYS 67 -18.163 -4.535 3.580 522 HE3 LYS 67 HE3 LYS 67 -17.311 -3.018 3.305 523 HZ1 LYS 67 HZ1 LYS 67 -18.409 -4.787 1.191 524 HZ2 LYS 67 HZ2 LYS 67 -17.605 -3.324 0.929 525 HZ3 LYS 67 HZ3 LYS 67 -19.101 -3.336 1.717 526 H ARG 68 H ARG 68 -12.889 -8.272 5.069 527 HA ARG 68 HA ARG 68 -10.347 -8.079 3.889 528 HB2 ARG 68 HB2 ARG 68 -11.163 -8.462 6.352 529 HB3 ARG 68 HB3 ARG 68 -11.207 -10.149 5.891 530 HG2 ARG 68 HG2 ARG 68 -8.696 -8.735 5.298 531 HG3 ARG 68 HG3 ARG 68 -9.068 -8.965 7.003 532 HD2 ARG 68 HD2 ARG 68 -8.994 -11.152 4.912 533 HD3 ARG 68 HD3 ARG 68 -7.699 -10.804 6.055 534 HE ARG 68 HE ARG 68 -10.018 -11.221 7.534 535 HH11 ARG 68 HH11 ARG 68 -7.845 -13.058 5.475 536 HH12 ARG 68 HH12 ARG 68 -8.236 -14.581 6.190 537 HH21 ARG 68 HH21 ARG 68 -10.537 -13.249 8.487 538 HH22 ARG 68 HH22 ARG 68 -9.784 -14.688 7.909 539 H ASP 69 H ASP 69 -12.867 -10.558 4.046 540 HA ASP 69 HA ASP 69 -11.471 -12.488 2.474 541 HB2 ASP 69 HB2 ASP 69 -14.370 -12.230 3.261 542 HB3 ASP 69 HB3 ASP 69 -13.771 -13.542 2.252 543 H ILE 70 H ILE 70 -13.800 -9.981 1.846 544 HA ILE 70 HA ILE 70 -14.251 -10.483 -0.872 545 HB ILE 70 HB ILE 70 -14.305 -7.997 0.801 546 HG12 ILE 70 HG12 ILE 70 -16.063 -9.605 1.248 547 HG13 ILE 70 HG13 ILE 70 -16.744 -8.155 0.521 548 HG21 ILE 70 HG21 ILE 70 -13.754 -7.260 -1.466 549 HG22 ILE 70 HG22 ILE 70 -15.406 -6.794 -1.061 550 HG23 ILE 70 HG23 ILE 70 -15.115 -8.178 -2.114 551 HD11 ILE 70 HD11 ILE 70 -17.799 -10.119 -0.389 552 HD12 ILE 70 HD12 ILE 70 -16.237 -10.783 -0.860 553 HD13 ILE 70 HD13 ILE 70 -16.847 -9.325 -1.642 554 H TYR 71 H TYR 71 -11.859 -8.436 0.748 555 HA TYR 71 HA TYR 71 -10.504 -7.591 -1.560 556 HB2 TYR 71 HB2 TYR 71 -10.102 -6.503 0.568 557 HB3 TYR 71 HB3 TYR 71 -9.437 -7.986 1.241 558 HD1 TYR 71 HD1 TYR 71 -8.864 -5.682 -1.652 559 HD2 TYR 71 HD2 TYR 71 -7.141 -8.181 1.326 560 HE1 TYR 71 HE1 TYR 71 -6.619 -4.997 -2.384 561 HE2 TYR 71 HE2 TYR 71 -4.895 -7.504 0.602 562 HH TYR 71 HH TYR 71 -4.396 -4.913 -1.648 563 H ASP 72 H ASP 72 -9.991 -10.409 0.442 564 HA ASP 72 HA ASP 72 -7.701 -11.452 -0.822 565 HB2 ASP 72 HB2 ASP 72 -8.470 -12.349 1.277 566 HB3 ASP 72 HB3 ASP 72 -9.997 -12.848 0.558 567 H GLN 73 H GLN 73 -11.125 -12.073 -1.447 568 HA GLN 73 HA GLN 73 -10.699 -13.925 -3.560 569 HB2 GLN 73 HB2 GLN 73 -13.130 -12.389 -2.687 570 HB3 GLN 73 HB3 GLN 73 -13.149 -13.604 -3.959 571 HG2 GLN 73 HG2 GLN 73 -12.439 -15.301 -2.405 572 HG3 GLN 73 HG3 GLN 73 -12.281 -14.095 -1.130 573 HE21 GLN 73 HE21 GLN 73 -14.097 -13.279 -0.167 574 HE22 GLN 73 HE22 GLN 73 -15.659 -14.003 -0.344 575 H PHE 74 H PHE 74 -11.400 -10.479 -3.462 576 HA PHE 74 HA PHE 74 -11.437 -10.360 -6.368 577 HB2 PHE 74 HB2 PHE 74 -11.913 -8.262 -4.252 578 HB3 PHE 74 HB3 PHE 74 -11.868 -7.896 -5.975 579 HD1 PHE 74 HD1 PHE 74 -13.748 -9.515 -3.293 580 HD2 PHE 74 HD2 PHE 74 -13.635 -8.624 -7.444 581 HE1 PHE 74 HE1 PHE 74 -16.120 -10.120 -3.480 582 HE2 PHE 74 HE2 PHE 74 -16.006 -9.228 -7.637 583 HZ PHE 74 HZ PHE 74 -17.251 -9.975 -5.654 584 H GLY 75 H GLY 75 -9.103 -10.563 -4.179 585 HA2 GLY 75 HA2 GLY 75 -7.297 -8.567 -5.185 586 HA3 GLY 75 HA3 GLY 75 -6.885 -9.917 -4.131
Contact the webmaster for help, if required. Saturday, September 28, 2024 2:52:47 PM GMT (wattos1)