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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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617268 |
5b7a ![]() ![]() |
36000 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -21.527 14.678 25.203 2 HA MET 1 HA MET 1 -20.863 14.874 27.503 3 HB2 MET 1 HB2 MET 1 -22.246 12.308 26.713 4 HB3 MET 1 HB3 MET 1 -22.188 12.909 28.361 5 HG2 MET 1 HG2 MET 1 -23.431 14.328 26.016 6 HG3 MET 1 HG3 MET 1 -24.298 13.440 27.266 7 HE1 MET 1 HE1 MET 1 -25.266 17.105 28.145 8 HE2 MET 1 HE2 MET 1 -25.853 15.470 27.839 9 HE3 MET 1 HE3 MET 1 -25.093 16.392 26.541 10 H SER 2 H SER 2 -18.674 13.238 25.841 11 HA SER 2 HA SER 2 -17.897 11.221 27.697 12 HB2 SER 2 HB2 SER 2 -16.243 12.485 25.505 13 HB3 SER 2 HB3 SER 2 -15.965 10.925 26.278 14 HG SER 2 HG SER 2 -17.068 10.306 24.558 15 H ASP 3 H ASP 3 -16.701 14.464 26.917 16 HA ASP 3 HA ASP 3 -15.736 14.747 29.634 17 HB2 ASP 3 HB2 ASP 3 -13.794 13.770 28.502 18 HB3 ASP 3 HB3 ASP 3 -13.864 15.031 27.275 19 H GLN 4 H GLN 4 -16.325 16.681 30.315 20 HA GLN 4 HA GLN 4 -16.866 18.752 28.317 21 HB2 GLN 4 HB2 GLN 4 -18.328 19.767 30.044 22 HB3 GLN 4 HB3 GLN 4 -18.823 18.142 29.603 23 HG2 GLN 4 HG2 GLN 4 -17.850 17.251 31.621 24 HG3 GLN 4 HG3 GLN 4 -17.204 18.837 32.042 25 HE21 GLN 4 HE21 GLN 4 -18.596 20.426 32.800 26 HE22 GLN 4 HE22 GLN 4 -20.190 20.060 33.353 27 H GLU 5 H GLU 5 -14.254 18.142 29.451 28 HA GLU 5 HA GLU 5 -13.725 20.503 31.091 29 HB2 GLU 5 HB2 GLU 5 -12.807 18.295 31.776 30 HB3 GLU 5 HB3 GLU 5 -11.861 18.271 30.297 31 HG2 GLU 5 HG2 GLU 5 -10.576 20.156 31.018 32 HG3 GLU 5 HG3 GLU 5 -11.610 20.369 32.430 33 H ALA 6 H ALA 6 -12.136 22.012 30.487 34 HA ALA 6 HA ALA 6 -12.143 22.489 27.627 35 HB1 ALA 6 HB1 ALA 6 -12.728 24.308 29.160 36 HB2 ALA 6 HB2 ALA 6 -11.314 24.709 28.184 37 HB3 ALA 6 HB3 ALA 6 -11.115 24.226 29.868 38 H LYS 7 H LYS 7 -10.562 21.791 26.379 39 HA LYS 7 HA LYS 7 -8.042 20.962 27.433 40 HB2 LYS 7 HB2 LYS 7 -9.283 21.032 24.728 41 HB3 LYS 7 HB3 LYS 7 -7.541 20.864 24.837 42 HG2 LYS 7 HG2 LYS 7 -9.477 19.045 26.252 43 HG3 LYS 7 HG3 LYS 7 -8.817 18.715 24.649 44 HD2 LYS 7 HD2 LYS 7 -7.071 19.244 27.046 45 HD3 LYS 7 HD3 LYS 7 -7.612 17.623 26.607 46 HE2 LYS 7 HE2 LYS 7 -6.096 19.467 24.762 47 HE3 LYS 7 HE3 LYS 7 -5.334 18.249 25.779 48 HZ1 LYS 7 HZ1 LYS 7 -6.520 16.536 24.627 49 HZ2 LYS 7 HZ2 LYS 7 -5.717 17.491 23.490 50 HZ3 LYS 7 HZ3 LYS 7 -7.383 17.661 23.709 51 HA PRO 8 HA PRO 8 -5.976 24.878 27.183 52 HB2 PRO 8 HB2 PRO 8 -3.490 23.325 26.920 53 HB3 PRO 8 HB3 PRO 8 -3.974 24.446 28.194 54 HG2 PRO 8 HG2 PRO 8 -3.870 21.795 28.614 55 HG3 PRO 8 HG3 PRO 8 -5.089 22.821 29.391 56 HD2 PRO 8 HD2 PRO 8 -5.367 21.011 27.022 57 HD3 PRO 8 HD3 PRO 8 -6.490 21.294 28.366 58 H SER 9 H SER 9 -4.095 22.562 25.330 59 HA SER 9 HA SER 9 -3.286 22.546 23.208 60 HB2 SER 9 HB2 SER 9 -5.880 24.007 22.632 61 HB3 SER 9 HB3 SER 9 -4.850 23.255 21.415 62 HG SER 9 HG SER 9 -5.750 21.425 21.870 63 H THR 10 H THR 10 -2.481 24.624 24.944 64 HA THR 10 HA THR 10 -2.548 27.198 23.897 65 HB THR 10 HB THR 10 -0.286 26.081 25.535 66 HG1 THR 10 HG1 THR 10 -1.683 25.767 27.076 67 HG21 THR 10 HG21 THR 10 -0.016 28.388 24.729 68 HG22 THR 10 HG22 THR 10 -0.243 28.350 26.478 69 HG23 THR 10 HG23 THR 10 -1.580 28.815 25.426 70 H GLU 11 H GLU 11 0.164 24.957 23.789 71 HA GLU 11 HA GLU 11 0.940 26.226 21.267 72 HB2 GLU 11 HB2 GLU 11 3.377 25.697 22.123 73 HB3 GLU 11 HB3 GLU 11 2.565 27.199 22.518 74 HG2 GLU 11 HG2 GLU 11 3.718 26.254 24.457 75 HG3 GLU 11 HG3 GLU 11 1.980 26.338 24.717 76 H ASP 12 H ASP 12 1.701 24.982 19.666 77 HA ASP 12 HA ASP 12 2.731 22.368 20.004 78 HB2 ASP 12 HB2 ASP 12 0.440 21.725 20.398 79 HB3 ASP 12 HB3 ASP 12 -0.075 22.611 18.960 80 H LEU 13 H LEU 13 3.587 21.573 18.167 81 HA LEU 13 HA LEU 13 3.842 23.473 15.985 82 HB2 LEU 13 HB2 LEU 13 5.656 21.909 15.267 83 HB3 LEU 13 HB3 LEU 13 5.913 22.696 16.817 84 HG LEU 13 HG LEU 13 4.625 20.042 16.935 85 HD11 LEU 13 HD11 LEU 13 6.269 19.654 15.163 86 HD12 LEU 13 HD12 LEU 13 6.763 18.855 16.655 87 HD13 LEU 13 HD13 LEU 13 7.533 20.363 16.164 88 HD21 LEU 13 HD21 LEU 13 6.917 21.315 18.433 89 HD22 LEU 13 HD22 LEU 13 6.135 19.787 18.842 90 HD23 LEU 13 HD23 LEU 13 5.228 21.298 18.942 91 H GLY 14 H GLY 14 2.292 20.622 16.819 92 HA2 GLY 14 HA2 GLY 14 0.495 20.022 15.149 93 HA3 GLY 14 HA3 GLY 14 1.821 19.889 14.000 94 H ASP 15 H ASP 15 2.625 18.912 17.142 95 HA ASP 15 HA ASP 15 2.465 16.091 16.310 96 HB2 ASP 15 HB2 ASP 15 4.754 16.946 16.666 97 HB3 ASP 15 HB3 ASP 15 4.326 17.396 18.311 98 H LYS 16 H LYS 16 1.743 18.409 18.813 99 HA LYS 16 HA LYS 16 0.646 16.389 20.610 100 HB2 LYS 16 HB2 LYS 16 0.665 19.406 20.833 101 HB3 LYS 16 HB3 LYS 16 0.243 18.275 22.108 102 HG2 LYS 16 HG2 LYS 16 2.458 17.588 22.391 103 HG3 LYS 16 HG3 LYS 16 2.955 18.267 20.839 104 HD2 LYS 16 HD2 LYS 16 3.716 19.634 22.745 105 HD3 LYS 16 HD3 LYS 16 2.626 20.517 21.677 106 HE2 LYS 16 HE2 LYS 16 0.766 20.032 23.228 107 HE3 LYS 16 HE3 LYS 16 1.903 19.224 24.306 108 HZ1 LYS 16 HZ1 LYS 16 3.101 21.327 24.513 109 HZ2 LYS 16 HZ2 LYS 16 1.505 21.474 25.024 110 HZ3 LYS 16 HZ3 LYS 16 1.964 22.091 23.524 111 H LYS 17 H LYS 17 -0.257 17.739 17.915 112 HA LYS 17 HA LYS 17 -2.864 18.745 18.404 113 HB2 LYS 17 HB2 LYS 17 -1.464 19.303 16.428 114 HB3 LYS 17 HB3 LYS 17 -1.680 17.659 15.853 115 HG2 LYS 17 HG2 LYS 17 -4.176 18.142 15.900 116 HG3 LYS 17 HG3 LYS 17 -3.726 19.835 16.092 117 HD2 LYS 17 HD2 LYS 17 -4.058 19.480 13.781 118 HD3 LYS 17 HD3 LYS 17 -2.310 19.571 14.026 119 HE2 LYS 17 HE2 LYS 17 -2.233 17.100 14.060 120 HE3 LYS 17 HE3 LYS 17 -3.963 17.069 13.729 121 HZ1 LYS 17 HZ1 LYS 17 -2.744 16.763 11.696 122 HZ2 LYS 17 HZ2 LYS 17 -1.846 18.166 11.954 123 HZ3 LYS 17 HZ3 LYS 17 -3.501 18.273 11.637 124 H GLU 18 H GLU 18 -4.855 17.750 17.802 125 HA GLU 18 HA GLU 18 -4.984 14.955 18.397 126 HB2 GLU 18 HB2 GLU 18 -7.158 16.803 17.414 127 HB3 GLU 18 HB3 GLU 18 -7.383 15.223 18.150 128 HG2 GLU 18 HG2 GLU 18 -6.247 17.659 19.462 129 HG3 GLU 18 HG3 GLU 18 -7.857 16.985 19.731 130 H GLY 19 H GLY 19 -5.297 13.303 17.002 131 HA2 GLY 19 HA2 GLY 19 -5.666 13.969 14.174 132 HA3 GLY 19 HA3 GLY 19 -4.335 12.923 14.659 133 H GLU 20 H GLU 20 -6.770 12.424 12.990 134 HA GLU 20 HA GLU 20 -7.801 10.201 14.570 135 HB2 GLU 20 HB2 GLU 20 -9.778 10.295 13.050 136 HB3 GLU 20 HB3 GLU 20 -9.585 11.707 14.077 137 HG2 GLU 20 HG2 GLU 20 -8.550 12.889 12.160 138 HG3 GLU 20 HG3 GLU 20 -8.922 11.487 11.153 139 H TYR 21 H TYR 21 -8.231 8.260 13.414 140 HA TYR 21 HA TYR 21 -6.311 7.865 11.236 141 HB2 TYR 21 HB2 TYR 21 -7.457 5.863 13.198 142 HB3 TYR 21 HB3 TYR 21 -6.328 5.493 11.898 143 HD1 TYR 21 HD1 TYR 21 -6.521 7.966 14.730 144 HD2 TYR 21 HD2 TYR 21 -4.155 5.146 12.589 145 HE1 TYR 21 HE1 TYR 21 -4.650 8.380 16.264 146 HE2 TYR 21 HE2 TYR 21 -2.277 5.562 14.116 147 HH TYR 21 HH TYR 21 -2.641 7.325 17.034 148 H ILE 22 H ILE 22 -6.980 6.946 9.330 149 HA ILE 22 HA ILE 22 -9.841 6.352 9.151 150 HB ILE 22 HB ILE 22 -9.554 6.805 6.712 151 HG12 ILE 22 HG12 ILE 22 -7.146 8.432 7.238 152 HG13 ILE 22 HG13 ILE 22 -6.902 6.691 7.150 153 HG21 ILE 22 HG21 ILE 22 -9.614 9.254 6.938 154 HG22 ILE 22 HG22 ILE 22 -9.012 9.103 8.589 155 HG23 ILE 22 HG23 ILE 22 -10.593 8.448 8.162 156 HD11 ILE 22 HD11 ILE 22 -8.128 8.446 5.050 157 HD12 ILE 22 HD12 ILE 22 -8.033 6.685 4.976 158 HD13 ILE 22 HD13 ILE 22 -6.550 7.649 4.993 159 H LYS 23 H LYS 23 -10.414 4.578 7.818 160 HA LYS 23 HA LYS 23 -8.247 2.628 7.591 161 HB2 LYS 23 HB2 LYS 23 -10.061 0.883 7.609 162 HB3 LYS 23 HB3 LYS 23 -9.880 1.778 9.103 163 HG2 LYS 23 HG2 LYS 23 -12.201 1.530 8.773 164 HG3 LYS 23 HG3 LYS 23 -11.843 3.199 8.332 165 HD2 LYS 23 HD2 LYS 23 -11.996 2.703 6.011 166 HD3 LYS 23 HD3 LYS 23 -12.005 0.967 6.314 167 HE2 LYS 23 HE2 LYS 23 -14.229 1.833 5.735 168 HE3 LYS 23 HE3 LYS 23 -14.175 1.117 7.343 169 HZ1 LYS 23 HZ1 LYS 23 -15.432 3.201 7.282 170 HZ2 LYS 23 HZ2 LYS 23 -14.065 4.046 6.784 171 HZ3 LYS 23 HZ3 LYS 23 -14.099 3.324 8.306 172 H LEU 24 H LEU 24 -7.871 1.570 5.723 173 HA LEU 24 HA LEU 24 -9.587 2.204 3.444 174 HB2 LEU 24 HB2 LEU 24 -6.582 2.257 3.219 175 HB3 LEU 24 HB3 LEU 24 -7.754 2.695 2.007 176 HG LEU 24 HG LEU 24 -8.415 4.562 3.695 177 HD11 LEU 24 HD11 LEU 24 -5.610 3.902 4.569 178 HD12 LEU 24 HD12 LEU 24 -7.070 3.766 5.548 179 HD13 LEU 24 HD13 LEU 24 -6.510 5.352 5.013 180 HD21 LEU 24 HD21 LEU 24 -5.847 4.623 2.137 181 HD22 LEU 24 HD22 LEU 24 -6.762 6.032 2.681 182 HD23 LEU 24 HD23 LEU 24 -7.459 4.929 1.493 183 H LYS 25 H LYS 25 -8.443 0.856 1.459 184 HA LYS 25 HA LYS 25 -7.777 -1.805 2.369 185 HB2 LYS 25 HB2 LYS 25 -10.209 -1.882 2.488 186 HB3 LYS 25 HB3 LYS 25 -10.341 -1.244 0.859 187 HG2 LYS 25 HG2 LYS 25 -8.809 -3.755 1.167 188 HG3 LYS 25 HG3 LYS 25 -10.548 -3.848 1.448 189 HD2 LYS 25 HD2 LYS 25 -9.371 -2.565 -1.005 190 HD3 LYS 25 HD3 LYS 25 -9.738 -4.289 -0.919 191 HE2 LYS 25 HE2 LYS 25 -11.742 -2.124 -0.348 192 HE3 LYS 25 HE3 LYS 25 -11.535 -2.855 -1.941 193 HZ1 LYS 25 HZ1 LYS 25 -11.957 -5.050 -0.791 194 HZ2 LYS 25 HZ2 LYS 25 -13.284 -4.012 -0.907 195 HZ3 LYS 25 HZ3 LYS 25 -12.457 -4.155 0.558 196 H VAL 26 H VAL 26 -6.794 -3.042 0.762 197 HA VAL 26 HA VAL 26 -6.530 -1.781 -1.868 198 HB VAL 26 HB VAL 26 -4.167 -1.851 -1.957 199 HG11 VAL 26 HG11 VAL 26 -5.033 0.016 -0.616 200 HG12 VAL 26 HG12 VAL 26 -3.406 -0.465 -0.131 201 HG13 VAL 26 HG13 VAL 26 -4.799 -0.948 0.839 202 HG21 VAL 26 HG21 VAL 26 -4.194 -3.363 0.636 203 HG22 VAL 26 HG22 VAL 26 -2.749 -2.836 -0.230 204 HG23 VAL 26 HG23 VAL 26 -3.836 -4.021 -0.958 205 H ILE 27 H ILE 27 -6.356 -3.204 -3.558 206 HA ILE 27 HA ILE 27 -6.410 -6.063 -2.841 207 HB ILE 27 HB ILE 27 -7.784 -4.708 -5.170 208 HG12 ILE 27 HG12 ILE 27 -9.096 -5.814 -2.705 209 HG13 ILE 27 HG13 ILE 27 -8.618 -4.127 -2.842 210 HG21 ILE 27 HG21 ILE 27 -7.241 -7.052 -5.584 211 HG22 ILE 27 HG22 ILE 27 -8.983 -6.848 -5.389 212 HG23 ILE 27 HG23 ILE 27 -8.021 -7.512 -4.069 213 HD11 ILE 27 HD11 ILE 27 -10.079 -3.861 -4.760 214 HD12 ILE 27 HD12 ILE 27 -10.971 -4.444 -3.356 215 HD13 ILE 27 HD13 ILE 27 -10.546 -5.559 -4.657 216 H GLY 28 H GLY 28 -5.244 -7.454 -4.157 217 HA2 GLY 28 HA2 GLY 28 -3.552 -6.122 -6.171 218 HA3 GLY 28 HA3 GLY 28 -2.947 -7.402 -5.120 219 H GLN 29 H GLN 29 -2.468 -7.901 -7.584 220 HA GLN 29 HA GLN 29 -4.528 -9.074 -9.141 221 HB2 GLN 29 HB2 GLN 29 -2.870 -9.614 -10.666 222 HB3 GLN 29 HB3 GLN 29 -2.099 -8.299 -9.799 223 HG2 GLN 29 HG2 GLN 29 -1.627 -11.238 -9.315 224 HG3 GLN 29 HG3 GLN 29 -0.569 -10.168 -10.219 225 HE21 GLN 29 HE21 GLN 29 -0.855 -7.934 -8.375 226 HE22 GLN 29 HE22 GLN 29 -0.003 -8.391 -6.934 227 H ASP 30 H ASP 30 -3.070 -10.054 -6.326 228 HA ASP 30 HA ASP 30 -3.162 -12.902 -6.738 229 HB2 ASP 30 HB2 ASP 30 -1.515 -11.683 -5.241 230 HB3 ASP 30 HB3 ASP 30 -2.857 -11.359 -4.153 231 H SER 31 H SER 31 -5.531 -10.690 -6.518 232 HA SER 31 HA SER 31 -7.709 -10.670 -6.010 233 HB2 SER 31 HB2 SER 31 -7.661 -12.960 -7.039 234 HB3 SER 31 HB3 SER 31 -7.441 -13.633 -5.424 235 HG SER 31 HG SER 31 -9.486 -12.101 -5.144 236 H SER 32 H SER 32 -5.433 -10.809 -3.855 237 HA SER 32 HA SER 32 -7.139 -11.240 -1.533 238 HB2 SER 32 HB2 SER 32 -4.880 -12.332 -1.663 239 HB3 SER 32 HB3 SER 32 -4.160 -10.724 -1.623 240 HG SER 32 HG SER 32 -4.534 -12.035 0.432 241 H GLU 33 H GLU 33 -6.837 -9.619 0.254 242 HA GLU 33 HA GLU 33 -6.121 -6.968 -0.575 243 HB2 GLU 33 HB2 GLU 33 -8.274 -5.958 -0.040 244 HB3 GLU 33 HB3 GLU 33 -8.427 -7.120 -1.348 245 HG2 GLU 33 HG2 GLU 33 -9.460 -8.712 0.072 246 HG3 GLU 33 HG3 GLU 33 -9.098 -7.757 1.509 247 H ILE 34 H ILE 34 -6.230 -5.463 1.213 248 HA ILE 34 HA ILE 34 -6.311 -6.723 3.853 249 HB ILE 34 HB ILE 34 -3.933 -6.781 3.172 250 HG12 ILE 34 HG12 ILE 34 -4.152 -4.652 5.261 251 HG13 ILE 34 HG13 ILE 34 -4.811 -6.257 5.575 252 HG21 ILE 34 HG21 ILE 34 -3.828 -4.928 1.682 253 HG22 ILE 34 HG22 ILE 34 -2.697 -4.637 3.005 254 HG23 ILE 34 HG23 ILE 34 -4.249 -3.798 2.969 255 HD11 ILE 34 HD11 ILE 34 -1.970 -5.638 4.835 256 HD12 ILE 34 HD12 ILE 34 -2.642 -7.221 5.233 257 HD13 ILE 34 HD13 ILE 34 -2.565 -5.964 6.465 258 H HIS 35 H HIS 35 -6.936 -5.382 5.499 259 HA HIS 35 HA HIS 35 -7.788 -2.669 4.710 260 HB2 HIS 35 HB2 HIS 35 -8.844 -4.352 7.009 261 HB3 HIS 35 HB3 HIS 35 -9.470 -2.802 6.478 262 HD1 HIS 35 HD1 HIS 35 -11.465 -4.998 6.656 263 HD2 HIS 35 HD2 HIS 35 -9.198 -4.370 3.240 264 HE1 HIS 35 HE1 HIS 35 -12.745 -6.076 4.796 265 HE2 HIS 35 HE2 HIS 35 -11.244 -5.882 2.785 266 H PHE 36 H PHE 36 -6.960 -0.991 5.896 267 HA PHE 36 HA PHE 36 -5.562 -1.617 8.384 268 HB2 PHE 36 HB2 PHE 36 -3.641 -0.112 7.542 269 HB3 PHE 36 HB3 PHE 36 -3.682 -1.778 7.004 270 HD1 PHE 36 HD1 PHE 36 -4.483 1.689 6.013 271 HD2 PHE 36 HD2 PHE 36 -3.828 -2.311 4.740 272 HE1 PHE 36 HE1 PHE 36 -4.431 2.447 3.679 273 HE2 PHE 36 HE2 PHE 36 -3.772 -1.565 2.411 274 HZ PHE 36 HZ PHE 36 -4.079 0.822 1.874 275 HH31 ALY 37 HH31 ALY 37 -2.226 0.142 16.363 276 HH32 ALY 37 HH32 ALY 37 -0.842 1.057 15.731 277 HH33 ALY 37 HH33 ALY 37 -0.683 -0.666 16.128 278 HZ ALY 37 HZ ALY 37 -2.266 1.487 13.537 279 HE3 ALY 37 HE3 ALY 37 -3.844 -0.645 12.659 280 HE2 ALY 37 HE2 ALY 37 -4.509 -0.026 14.171 281 HD3 ALY 37 HD3 ALY 37 -4.748 2.171 13.228 282 HD2 ALY 37 HD2 ALY 37 -3.923 1.666 11.751 283 HG3 ALY 37 HG3 ALY 37 -5.743 0.017 11.376 284 HG2 ALY 37 HG2 ALY 37 -6.576 0.691 12.770 285 HB3 ALY 37 HB3 ALY 37 -7.580 1.768 10.958 286 HB2 ALY 37 HB2 ALY 37 -6.422 2.939 11.561 287 HCA ALY 37 HCA ALY 37 -6.642 2.549 8.981 288 H ALY 37 H ALY 37 -4.955 0.255 9.596 289 H VAL 38 H VAL 38 -5.597 4.293 8.461 290 HA VAL 38 HA VAL 38 -2.875 4.619 9.521 291 HB VAL 38 HB VAL 38 -2.163 5.687 7.463 292 HG11 VAL 38 HG11 VAL 38 -2.273 3.753 5.914 293 HG12 VAL 38 HG12 VAL 38 -3.459 3.007 6.988 294 HG13 VAL 38 HG13 VAL 38 -1.825 3.315 7.561 295 HG21 VAL 38 HG21 VAL 38 -4.939 5.123 6.434 296 HG22 VAL 38 HG22 VAL 38 -3.597 5.730 5.464 297 HG23 VAL 38 HG23 VAL 38 -4.252 6.711 6.776 298 H LYS 39 H LYS 39 -2.225 7.047 9.078 299 HA LYS 39 HA LYS 39 -4.327 8.610 10.396 300 HB2 LYS 39 HB2 LYS 39 -1.415 9.331 9.996 301 HB3 LYS 39 HB3 LYS 39 -2.569 10.143 11.042 302 HG2 LYS 39 HG2 LYS 39 -2.709 8.146 12.442 303 HG3 LYS 39 HG3 LYS 39 -1.546 7.334 11.390 304 HD2 LYS 39 HD2 LYS 39 0.103 9.102 11.919 305 HD3 LYS 39 HD3 LYS 39 -1.062 9.811 13.041 306 HE2 LYS 39 HE2 LYS 39 -1.085 7.711 14.318 307 HE3 LYS 39 HE3 LYS 39 0.116 7.039 13.215 308 HZ1 LYS 39 HZ1 LYS 39 1.132 7.867 15.231 309 HZ2 LYS 39 HZ2 LYS 39 0.495 9.404 14.965 310 HZ3 LYS 39 HZ3 LYS 39 1.649 8.780 13.907 311 H MET 40 H MET 40 -4.541 10.916 9.666 312 HA MET 40 HA MET 40 -5.124 11.170 6.974 313 HB2 MET 40 HB2 MET 40 -5.983 12.751 8.597 314 HB3 MET 40 HB3 MET 40 -4.362 13.302 8.974 315 HG2 MET 40 HG2 MET 40 -5.219 14.999 7.645 316 HG3 MET 40 HG3 MET 40 -4.248 14.056 6.525 317 HE1 MET 40 HE1 MET 40 -6.043 11.640 5.430 318 HE2 MET 40 HE2 MET 40 -5.080 12.813 4.539 319 HE3 MET 40 HE3 MET 40 -6.761 12.528 4.088 320 H THR 41 H THR 41 -2.197 12.015 8.685 321 HA THR 41 HA THR 41 -0.822 12.127 6.086 322 HB THR 41 HB THR 41 0.735 13.759 7.057 323 HG1 THR 41 HG1 THR 41 0.329 12.954 9.301 324 HG21 THR 41 HG21 THR 41 -1.215 14.651 5.933 325 HG22 THR 41 HG22 THR 41 -0.884 15.649 7.352 326 HG23 THR 41 HG23 THR 41 -2.185 14.451 7.386 327 H THR 42 H THR 42 0.487 10.412 5.855 328 HA THR 42 HA THR 42 2.454 9.663 7.714 329 HB THR 42 HB THR 42 0.391 8.660 8.831 330 HG1 THR 42 HG1 THR 42 2.283 7.686 9.415 331 HG21 THR 42 HG21 THR 42 -0.491 6.577 7.852 332 HG22 THR 42 HG22 THR 42 0.481 6.859 6.407 333 HG23 THR 42 HG23 THR 42 -0.820 7.978 6.828 334 H HIS 43 H HIS 43 3.454 7.459 6.912 335 HA HIS 43 HA HIS 43 3.516 7.653 3.994 336 HB2 HIS 43 HB2 HIS 43 5.398 6.356 5.956 337 HB3 HIS 43 HB3 HIS 43 5.585 6.249 4.209 338 HD1 HIS 43 HD1 HIS 43 6.385 8.359 7.066 339 HD2 HIS 43 HD2 HIS 43 6.022 8.843 2.960 340 HE1 HIS 43 HE1 HIS 43 7.578 10.497 6.530 341 HE2 HIS 43 HE2 HIS 43 7.199 10.853 4.072 342 H LEU 44 H LEU 44 2.755 6.129 2.688 343 HA LEU 44 HA LEU 44 1.115 4.059 3.720 344 HB2 LEU 44 HB2 LEU 44 2.085 4.491 0.902 345 HB3 LEU 44 HB3 LEU 44 0.785 3.418 1.376 346 HG LEU 44 HG LEU 44 0.820 6.421 1.524 347 HD11 LEU 44 HD11 LEU 44 -0.844 4.468 -0.044 348 HD12 LEU 44 HD12 LEU 44 0.361 5.596 -0.673 349 HD13 LEU 44 HD13 LEU 44 -1.133 6.205 0.033 350 HD21 LEU 44 HD21 LEU 44 -1.271 4.498 2.551 351 HD22 LEU 44 HD22 LEU 44 -1.484 6.242 2.402 352 HD23 LEU 44 HD23 LEU 44 -0.284 5.593 3.520 353 H LYS 45 H LYS 45 4.432 4.111 3.298 354 HA LYS 45 HA LYS 45 5.021 1.565 2.364 355 HB2 LYS 45 HB2 LYS 45 6.635 3.457 2.768 356 HB3 LYS 45 HB3 LYS 45 6.558 3.078 4.478 357 HG2 LYS 45 HG2 LYS 45 7.282 0.927 2.561 358 HG3 LYS 45 HG3 LYS 45 8.485 2.148 2.953 359 HD2 LYS 45 HD2 LYS 45 7.020 0.442 4.968 360 HD3 LYS 45 HD3 LYS 45 8.648 0.124 4.368 361 HE2 LYS 45 HE2 LYS 45 9.367 2.313 5.246 362 HE3 LYS 45 HE3 LYS 45 7.752 2.568 5.898 363 HZ1 LYS 45 HZ1 LYS 45 9.619 0.398 6.668 364 HZ2 LYS 45 HZ2 LYS 45 8.056 0.589 7.278 365 HZ3 LYS 45 HZ3 LYS 45 9.243 1.760 7.590 366 H LYS 46 H LYS 46 3.869 2.632 5.487 367 HA LYS 46 HA LYS 46 4.509 0.357 7.004 368 HB2 LYS 46 HB2 LYS 46 2.822 1.145 8.597 369 HB3 LYS 46 HB3 LYS 46 3.797 2.485 8.023 370 HG2 LYS 46 HG2 LYS 46 1.762 3.474 7.857 371 HG3 LYS 46 HG3 LYS 46 1.778 2.678 6.285 372 HD2 LYS 46 HD2 LYS 46 -0.279 1.996 7.021 373 HD3 LYS 46 HD3 LYS 46 0.707 0.691 7.676 374 HE2 LYS 46 HE2 LYS 46 -0.230 3.143 9.175 375 HE3 LYS 46 HE3 LYS 46 -0.891 1.521 9.331 376 HZ1 LYS 46 HZ1 LYS 46 1.828 2.422 10.094 377 HZ2 LYS 46 HZ2 LYS 46 1.330 0.804 10.107 378 HZ3 LYS 46 HZ3 LYS 46 0.591 1.921 11.129 379 H LEU 47 H LEU 47 1.777 1.048 4.870 380 HA LEU 47 HA LEU 47 0.330 -1.288 5.653 381 HB2 LEU 47 HB2 LEU 47 -1.285 -0.729 4.041 382 HB3 LEU 47 HB3 LEU 47 -0.705 0.796 4.671 383 HG LEU 47 HG LEU 47 0.878 0.612 2.526 384 HD11 LEU 47 HD11 LEU 47 -1.631 -0.851 1.726 385 HD12 LEU 47 HD12 LEU 47 -0.001 -1.525 1.786 386 HD13 LEU 47 HD13 LEU 47 -0.387 -0.256 0.625 387 HD21 LEU 47 HD21 LEU 47 -1.967 1.582 2.576 388 HD22 LEU 47 HD22 LEU 47 -0.767 2.016 1.357 389 HD23 LEU 47 HD23 LEU 47 -0.524 2.484 3.040 390 H LYS 48 H LYS 48 2.714 -0.509 3.224 391 HA LYS 48 HA LYS 48 2.474 -2.810 1.616 392 HB2 LYS 48 HB2 LYS 48 4.710 -0.940 2.243 393 HB3 LYS 48 HB3 LYS 48 5.111 -2.470 1.484 394 HG2 LYS 48 HG2 LYS 48 4.915 -0.842 -0.211 395 HG3 LYS 48 HG3 LYS 48 3.506 -1.897 -0.336 396 HD2 LYS 48 HD2 LYS 48 2.128 -0.252 0.745 397 HD3 LYS 48 HD3 LYS 48 3.531 0.779 1.058 398 HE2 LYS 48 HE2 LYS 48 2.126 0.195 -1.516 399 HE3 LYS 48 HE3 LYS 48 2.589 1.750 -0.826 400 HZ1 LYS 48 HZ1 LYS 48 4.336 -0.253 -2.129 401 HZ2 LYS 48 HZ2 LYS 48 4.965 0.994 -1.198 402 HZ3 LYS 48 HZ3 LYS 48 4.073 1.352 -2.607 403 H GLU 49 H GLU 49 4.583 -2.216 4.426 404 HA GLU 49 HA GLU 49 5.696 -4.717 4.710 405 HB2 GLU 49 HB2 GLU 49 4.792 -2.973 6.993 406 HB3 GLU 49 HB3 GLU 49 6.113 -4.134 6.995 407 HG2 GLU 49 HG2 GLU 49 7.272 -2.749 5.333 408 HG3 GLU 49 HG3 GLU 49 5.980 -1.565 5.446 409 H SER 50 H SER 50 2.759 -3.462 6.212 410 HA SER 50 HA SER 50 2.045 -5.757 7.607 411 HB2 SER 50 HB2 SER 50 1.088 -3.399 7.819 412 HB3 SER 50 HB3 SER 50 0.063 -3.802 6.443 413 HG SER 50 HG SER 50 0.162 -5.538 8.647 414 H TYR 51 H TYR 51 1.618 -4.938 4.244 415 HA TYR 51 HA TYR 51 -0.390 -6.923 3.736 416 HB2 TYR 51 HB2 TYR 51 0.167 -4.864 2.280 417 HB3 TYR 51 HB3 TYR 51 1.487 -5.835 1.638 418 HD1 TYR 51 HD1 TYR 51 0.525 -8.396 1.075 419 HD2 TYR 51 HD2 TYR 51 -1.639 -4.751 0.872 420 HE1 TYR 51 HE1 TYR 51 -1.011 -9.412 -0.559 421 HE2 TYR 51 HE2 TYR 51 -3.192 -5.766 -0.768 422 HH TYR 51 HH TYR 51 -3.288 -7.540 -2.330 423 H CYS 52 H CYS 52 3.093 -6.763 3.063 424 HA CYS 52 HA CYS 52 3.348 -9.432 2.176 425 HB2 CYS 52 HB2 CYS 52 5.114 -7.920 1.639 426 HB3 CYS 52 HB3 CYS 52 5.413 -7.512 3.313 427 HG CYS 52 HG CYS 52 7.507 -9.030 3.187 428 H GLN 53 H GLN 53 3.478 -8.020 5.376 429 HA GLN 53 HA GLN 53 4.437 -10.359 6.687 430 HB2 GLN 53 HB2 GLN 53 3.108 -7.863 7.725 431 HB3 GLN 53 HB3 GLN 53 3.708 -9.149 8.764 432 HG2 GLN 53 HG2 GLN 53 5.470 -7.828 6.759 433 HG3 GLN 53 HG3 GLN 53 5.214 -7.111 8.351 434 HE21 GLN 53 HE21 GLN 53 7.635 -8.164 7.168 435 HE22 GLN 53 HE22 GLN 53 8.185 -9.429 8.211 436 H ARG 54 H ARG 54 1.222 -9.210 5.886 437 HA ARG 54 HA ARG 54 0.013 -11.247 7.598 438 HB2 ARG 54 HB2 ARG 54 -1.258 -9.147 5.863 439 HB3 ARG 54 HB3 ARG 54 -2.137 -10.260 6.899 440 HG2 ARG 54 HG2 ARG 54 -0.164 -8.181 7.843 441 HG3 ARG 54 HG3 ARG 54 -1.917 -8.026 7.895 442 HD2 ARG 54 HD2 ARG 54 -1.315 -8.662 10.061 443 HD3 ARG 54 HD3 ARG 54 -1.893 -10.144 9.303 444 HE ARG 54 HE ARG 54 0.557 -10.664 8.952 445 HH11 ARG 54 HH11 ARG 54 -0.484 -8.606 11.608 446 HH12 ARG 54 HH12 ARG 54 0.867 -9.015 12.599 447 HH21 ARG 54 HH21 ARG 54 2.335 -11.203 10.283 448 HH22 ARG 54 HH22 ARG 54 2.472 -10.478 11.849 449 H GLN 55 H GLN 55 0.135 -10.450 4.143 450 HA GLN 55 HA GLN 55 -1.329 -12.887 3.538 451 HB2 GLN 55 HB2 GLN 55 -0.388 -10.560 1.892 452 HB3 GLN 55 HB3 GLN 55 -0.878 -12.055 1.110 453 HG2 GLN 55 HG2 GLN 55 -2.737 -10.557 1.110 454 HG3 GLN 55 HG3 GLN 55 -3.082 -11.868 2.229 455 HE21 GLN 55 HE21 GLN 55 -0.965 -9.157 2.929 456 HE22 GLN 55 HE22 GLN 55 -1.978 -8.454 4.142 457 H GLY 56 H GLY 56 1.882 -11.938 3.919 458 HA2 GLY 56 HA2 GLY 56 3.844 -13.081 3.679 459 HA3 GLY 56 HA3 GLY 56 2.881 -14.522 3.380 460 H VAL 57 H VAL 57 2.646 -11.662 1.382 461 HA VAL 57 HA VAL 57 3.988 -13.147 -0.763 462 HB VAL 57 HB VAL 57 2.581 -11.848 -2.380 463 HG11 VAL 57 HG11 VAL 57 1.072 -13.550 -0.400 464 HG12 VAL 57 HG12 VAL 57 1.989 -14.131 -1.790 465 HG13 VAL 57 HG13 VAL 57 0.535 -13.161 -2.035 466 HG21 VAL 57 HG21 VAL 57 1.987 -9.966 -0.975 467 HG22 VAL 57 HG22 VAL 57 1.094 -11.027 0.112 468 HG23 VAL 57 HG23 VAL 57 0.525 -10.777 -1.540 469 HA PRO 58 HA PRO 58 7.040 -10.018 -0.849 470 HB2 PRO 58 HB2 PRO 58 7.802 -10.193 -3.475 471 HB3 PRO 58 HB3 PRO 58 8.287 -11.342 -2.224 472 HG2 PRO 58 HG2 PRO 58 6.109 -11.566 -4.259 473 HG3 PRO 58 HG3 PRO 58 7.260 -12.797 -3.708 474 HD2 PRO 58 HD2 PRO 58 4.714 -12.725 -2.835 475 HD3 PRO 58 HD3 PRO 58 6.054 -13.252 -1.796 476 H MET 59 H MET 59 6.409 -7.987 -0.659 477 HA MET 59 HA MET 59 4.588 -6.676 -2.389 478 HB2 MET 59 HB2 MET 59 6.307 -5.777 -0.110 479 HB3 MET 59 HB3 MET 59 5.434 -4.598 -1.085 480 HG2 MET 59 HG2 MET 59 4.258 -6.863 0.502 481 HG3 MET 59 HG3 MET 59 4.194 -5.152 0.912 482 HE1 MET 59 HE1 MET 59 3.243 -7.826 -1.811 483 HE2 MET 59 HE2 MET 59 1.518 -7.489 -1.921 484 HE3 MET 59 HE3 MET 59 2.215 -8.024 -0.393 485 H ASN 60 H ASN 60 7.795 -7.367 -2.858 486 HA ASN 60 HA ASN 60 8.461 -4.934 -4.310 487 HB2 ASN 60 HB2 ASN 60 9.953 -7.544 -3.970 488 HB3 ASN 60 HB3 ASN 60 10.554 -6.192 -4.920 489 HD21 ASN 60 HD21 ASN 60 8.759 -5.740 -1.977 490 HD22 ASN 60 HD22 ASN 60 10.069 -5.187 -1.005 491 H SER 61 H SER 61 7.590 -8.238 -5.022 492 HA SER 61 HA SER 61 7.962 -8.266 -7.774 493 HB2 SER 61 HB2 SER 61 5.839 -9.744 -6.211 494 HB3 SER 61 HB3 SER 61 6.441 -10.170 -7.812 495 HG SER 61 HG SER 61 7.447 -11.370 -6.122 496 H LEU 62 H LEU 62 5.397 -6.772 -5.950 497 HA LEU 62 HA LEU 62 4.201 -5.947 -8.478 498 HB2 LEU 62 HB2 LEU 62 2.010 -5.777 -7.093 499 HB3 LEU 62 HB3 LEU 62 2.513 -7.308 -7.757 500 HG LEU 62 HG LEU 62 1.526 -7.370 -5.451 501 HD11 LEU 62 HD11 LEU 62 2.810 -9.215 -6.345 502 HD12 LEU 62 HD12 LEU 62 3.051 -9.039 -4.605 503 HD13 LEU 62 HD13 LEU 62 4.294 -8.487 -5.729 504 HD21 LEU 62 HD21 LEU 62 2.592 -5.368 -4.545 505 HD22 LEU 62 HD22 LEU 62 4.165 -6.163 -4.635 506 HD23 LEU 62 HD23 LEU 62 2.919 -6.789 -3.558 507 H ARG 63 H ARG 63 2.719 -3.930 -8.076 508 HA ARG 63 HA ARG 63 4.076 -2.165 -6.165 509 HB2 ARG 63 HB2 ARG 63 4.109 -0.320 -7.730 510 HB3 ARG 63 HB3 ARG 63 4.999 -1.683 -8.388 511 HG2 ARG 63 HG2 ARG 63 2.141 -1.233 -9.149 512 HG3 ARG 63 HG3 ARG 63 3.428 -0.305 -9.917 513 HD2 ARG 63 HD2 ARG 63 4.526 -2.516 -10.451 514 HD3 ARG 63 HD3 ARG 63 3.030 -3.286 -9.917 515 HE ARG 63 HE ARG 63 1.956 -2.502 -11.814 516 HH11 ARG 63 HH11 ARG 63 5.205 -1.201 -11.631 517 HH12 ARG 63 HH12 ARG 63 5.208 -0.642 -13.263 518 HH21 ARG 63 HH21 ARG 63 1.957 -1.736 -13.982 519 HH22 ARG 63 HH22 ARG 63 3.360 -0.936 -14.598 520 H PHE 64 H PHE 64 2.847 -0.070 -5.860 521 HA PHE 64 HA PHE 64 0.009 -0.764 -5.592 522 HB2 PHE 64 HB2 PHE 64 1.826 0.833 -3.802 523 HB3 PHE 64 HB3 PHE 64 0.077 0.927 -3.671 524 HD1 PHE 64 HD1 PHE 64 2.737 -1.692 -3.863 525 HD2 PHE 64 HD2 PHE 64 -0.912 -0.398 -2.101 526 HE1 PHE 64 HE1 PHE 64 2.751 -3.656 -2.399 527 HE2 PHE 64 HE2 PHE 64 -0.897 -2.369 -0.632 528 HZ PHE 64 HZ PHE 64 0.929 -3.996 -0.779 529 H LEU 65 H LEU 65 -1.246 0.316 -6.822 530 HA LEU 65 HA LEU 65 -0.590 3.118 -7.526 531 HB2 LEU 65 HB2 LEU 65 -2.006 1.164 -9.319 532 HB3 LEU 65 HB3 LEU 65 -1.493 2.787 -9.724 533 HG LEU 65 HG LEU 65 0.306 0.406 -9.259 534 HD11 LEU 65 HD11 LEU 65 -0.298 2.003 -11.740 535 HD12 LEU 65 HD12 LEU 65 -0.839 0.358 -11.397 536 HD13 LEU 65 HD13 LEU 65 0.879 0.695 -11.613 537 HD21 LEU 65 HD21 LEU 65 2.146 1.884 -9.882 538 HD22 LEU 65 HD22 LEU 65 1.345 2.442 -8.411 539 HD23 LEU 65 HD23 LEU 65 1.030 3.252 -9.947 540 H PHE 66 H PHE 66 -2.122 4.520 -7.276 541 HA PHE 66 HA PHE 66 -4.763 3.542 -6.452 542 HB2 PHE 66 HB2 PHE 66 -3.812 4.817 -4.680 543 HB3 PHE 66 HB3 PHE 66 -3.291 6.094 -5.763 544 HD1 PHE 66 HD1 PHE 66 -6.612 4.469 -5.734 545 HD2 PHE 66 HD2 PHE 66 -4.351 7.935 -4.755 546 HE1 PHE 66 HE1 PHE 66 -8.682 5.677 -5.289 547 HE2 PHE 66 HE2 PHE 66 -6.432 9.168 -4.285 548 HZ PHE 66 HZ PHE 66 -8.608 8.038 -4.555 549 H GLU 67 H GLU 67 -5.876 3.401 -8.278 550 HA GLU 67 HA GLU 67 -6.795 3.886 -10.293 551 HB2 GLU 67 HB2 GLU 67 -8.173 5.868 -10.317 552 HB3 GLU 67 HB3 GLU 67 -8.170 5.196 -8.704 553 HG2 GLU 67 HG2 GLU 67 -6.726 6.906 -7.903 554 HG3 GLU 67 HG3 GLU 67 -6.430 7.482 -9.543 555 H GLY 68 H GLY 68 -3.996 4.157 -10.367 556 HA2 GLY 68 HA2 GLY 68 -2.771 4.679 -12.383 557 HA3 GLY 68 HA3 GLY 68 -3.730 6.142 -12.531 558 H GLN 69 H GLN 69 -3.051 6.042 -9.354 559 HA GLN 69 HA GLN 69 -0.852 7.910 -9.621 560 HB2 GLN 69 HB2 GLN 69 -2.542 6.966 -7.306 561 HB3 GLN 69 HB3 GLN 69 -1.146 8.009 -7.070 562 HG2 GLN 69 HG2 GLN 69 -3.254 8.847 -8.997 563 HG3 GLN 69 HG3 GLN 69 -3.597 8.953 -7.271 564 HE21 GLN 69 HE21 GLN 69 -0.403 9.411 -8.607 565 HE22 GLN 69 HE22 GLN 69 -0.301 11.099 -8.266 566 H ARG 70 H ARG 70 1.196 7.531 -8.836 567 HA ARG 70 HA ARG 70 1.798 4.718 -8.349 568 HB2 ARG 70 HB2 ARG 70 4.210 5.410 -8.816 569 HB3 ARG 70 HB3 ARG 70 3.105 5.435 -10.177 570 HG2 ARG 70 HG2 ARG 70 3.604 7.942 -8.631 571 HG3 ARG 70 HG3 ARG 70 4.792 7.379 -9.809 572 HD2 ARG 70 HD2 ARG 70 3.165 7.456 -11.574 573 HD3 ARG 70 HD3 ARG 70 1.868 7.809 -10.438 574 HE ARG 70 HE ARG 70 4.079 9.699 -10.586 575 HH11 ARG 70 HH11 ARG 70 0.778 8.920 -11.534 576 HH12 ARG 70 HH12 ARG 70 0.358 10.557 -11.879 577 HH21 ARG 70 HH21 ARG 70 3.515 11.870 -11.071 578 HH22 ARG 70 HH22 ARG 70 1.919 12.242 -11.627 579 H ILE 71 H ILE 71 2.194 4.069 -6.398 580 HA ILE 71 HA ILE 71 3.081 6.041 -4.403 581 HB ILE 71 HB ILE 71 1.332 3.594 -4.038 582 HG12 ILE 71 HG12 ILE 71 -0.201 5.375 -2.973 583 HG13 ILE 71 HG13 ILE 71 0.839 6.560 -3.751 584 HG21 ILE 71 HG21 ILE 71 2.411 5.417 -1.886 585 HG22 ILE 71 HG22 ILE 71 2.943 3.765 -2.195 586 HG23 ILE 71 HG23 ILE 71 1.294 4.070 -1.653 587 HD11 ILE 71 HD11 ILE 71 0.272 5.613 -5.932 588 HD12 ILE 71 HD12 ILE 71 -1.163 6.143 -5.059 589 HD13 ILE 71 HD13 ILE 71 -0.769 4.426 -5.147 590 H ALA 72 H ALA 72 5.295 5.709 -4.533 591 HA ALA 72 HA ALA 72 6.227 2.959 -4.168 592 HB1 ALA 72 HB1 ALA 72 7.157 4.176 -6.081 593 HB2 ALA 72 HB2 ALA 72 8.403 3.741 -4.913 594 HB3 ALA 72 HB3 ALA 72 7.803 5.396 -4.984 595 H ASP 73 H ASP 73 5.516 3.086 -1.950 596 HA ASP 73 HA ASP 73 5.840 3.238 0.300 597 HB2 ASP 73 HB2 ASP 73 8.690 2.936 -0.639 598 HB3 ASP 73 HB3 ASP 73 8.133 2.652 1.009 599 H ASN 74 H ASN 74 5.648 5.856 -0.839 600 HA ASN 74 HA ASN 74 6.966 7.335 1.267 601 HB2 ASN 74 HB2 ASN 74 8.094 8.922 -0.130 602 HB3 ASN 74 HB3 ASN 74 8.623 7.311 -0.595 603 HD21 ASN 74 HD21 ASN 74 8.603 9.840 -2.048 604 HD22 ASN 74 HD22 ASN 74 7.718 9.536 -3.494 605 H HIS 75 H HIS 75 4.738 7.222 -1.410 606 HA HIS 75 HA HIS 75 3.612 9.742 -1.132 607 HB2 HIS 75 HB2 HIS 75 3.149 7.486 -2.722 608 HB3 HIS 75 HB3 HIS 75 1.618 7.824 -1.918 609 HD1 HIS 75 HD1 HIS 75 3.244 8.581 -4.927 610 HD2 HIS 75 HD2 HIS 75 1.169 10.867 -2.146 611 HE1 HIS 75 HE1 HIS 75 2.540 10.663 -6.141 612 HE2 HIS 75 HE2 HIS 75 1.499 12.116 -4.384 613 H THR 76 H THR 76 1.783 10.474 -0.128 614 HA THR 76 HA THR 76 1.070 8.991 2.306 615 HB THR 76 HB THR 76 0.588 11.227 3.277 616 HG1 THR 76 HG1 THR 76 1.900 12.319 1.017 617 HG21 THR 76 HG21 THR 76 2.804 10.234 3.612 618 HG22 THR 76 HG22 THR 76 2.928 11.986 3.449 619 HG23 THR 76 HG23 THR 76 3.357 10.941 2.094 620 HA PRO 77 HA PRO 77 -3.206 8.899 1.098 621 HB2 PRO 77 HB2 PRO 77 -4.453 9.372 3.508 622 HB3 PRO 77 HB3 PRO 77 -3.722 7.821 3.086 623 HG2 PRO 77 HG2 PRO 77 -2.599 10.065 4.724 624 HG3 PRO 77 HG3 PRO 77 -2.546 8.318 5.029 625 HD2 PRO 77 HD2 PRO 77 -0.439 9.640 4.034 626 HD3 PRO 77 HD3 PRO 77 -0.818 7.982 3.523 627 H LYS 78 H LYS 78 -1.918 11.630 2.747 628 HA LYS 78 HA LYS 78 -4.220 13.329 2.381 629 HB2 LYS 78 HB2 LYS 78 -2.758 15.083 3.342 630 HB3 LYS 78 HB3 LYS 78 -2.820 13.641 4.345 631 HG2 LYS 78 HG2 LYS 78 -0.576 13.803 4.389 632 HG3 LYS 78 HG3 LYS 78 -0.646 13.141 2.760 633 HD2 LYS 78 HD2 LYS 78 -0.749 15.460 1.871 634 HD3 LYS 78 HD3 LYS 78 -0.539 16.047 3.526 635 HE2 LYS 78 HE2 LYS 78 1.627 15.070 3.686 636 HE3 LYS 78 HE3 LYS 78 1.418 14.207 2.164 637 HZ1 LYS 78 HZ1 LYS 78 2.826 16.200 1.981 638 HZ2 LYS 78 HZ2 LYS 78 1.510 17.167 2.409 639 HZ3 LYS 78 HZ3 LYS 78 1.474 16.272 0.969 640 H GLU 79 H GLU 79 -1.266 12.602 0.747 641 HA GLU 79 HA GLU 79 -1.289 14.958 -0.900 642 HB2 GLU 79 HB2 GLU 79 0.744 13.714 -0.095 643 HB3 GLU 79 HB3 GLU 79 0.329 12.452 -1.243 644 HG2 GLU 79 HG2 GLU 79 1.991 13.873 -2.204 645 HG3 GLU 79 HG3 GLU 79 0.460 14.137 -3.045 646 H LEU 80 H LEU 80 -2.216 11.599 -1.139 647 HA LEU 80 HA LEU 80 -2.606 11.583 -3.960 648 HB2 LEU 80 HB2 LEU 80 -3.666 9.783 -1.799 649 HB3 LEU 80 HB3 LEU 80 -3.785 9.467 -3.519 650 HG LEU 80 HG LEU 80 -1.112 9.853 -2.205 651 HD11 LEU 80 HD11 LEU 80 -2.378 8.120 -1.001 652 HD12 LEU 80 HD12 LEU 80 -0.973 7.486 -1.864 653 HD13 LEU 80 HD13 LEU 80 -2.598 7.253 -2.525 654 HD21 LEU 80 HD21 LEU 80 -2.025 8.359 -4.667 655 HD22 LEU 80 HD22 LEU 80 -0.366 8.490 -4.089 656 HD23 LEU 80 HD23 LEU 80 -1.221 9.928 -4.648 657 H GLY 81 H GLY 81 -4.410 12.905 -1.389 658 HA2 GLY 81 HA2 GLY 81 -6.378 14.123 -1.548 659 HA3 GLY 81 HA3 GLY 81 -6.497 13.632 -3.231 660 H MET 82 H MET 82 -6.156 11.198 -0.714 661 HA MET 82 HA MET 82 -8.846 10.327 -1.501 662 HB2 MET 82 HB2 MET 82 -8.184 8.038 -1.138 663 HB3 MET 82 HB3 MET 82 -7.049 8.794 -2.242 664 HG2 MET 82 HG2 MET 82 -5.487 9.088 -0.332 665 HG3 MET 82 HG3 MET 82 -6.616 8.172 0.668 666 HE1 MET 82 HE1 MET 82 -3.981 5.404 0.249 667 HE2 MET 82 HE2 MET 82 -5.028 6.306 1.345 668 HE3 MET 82 HE3 MET 82 -3.679 7.116 0.544 669 H GLU 83 H GLU 83 -9.577 8.582 0.374 670 HA GLU 83 HA GLU 83 -9.073 9.740 2.989 671 HB2 GLU 83 HB2 GLU 83 -11.443 10.149 3.469 672 HB3 GLU 83 HB3 GLU 83 -10.879 11.151 2.144 673 HG2 GLU 83 HG2 GLU 83 -11.956 9.679 0.542 674 HG3 GLU 83 HG3 GLU 83 -12.481 8.622 1.854 675 H GLU 84 H GLU 84 -11.352 8.482 4.240 676 HA GLU 84 HA GLU 84 -10.250 5.872 4.481 677 HB2 GLU 84 HB2 GLU 84 -11.858 5.485 6.198 678 HB3 GLU 84 HB3 GLU 84 -11.309 7.141 6.361 679 HG2 GLU 84 HG2 GLU 84 -13.328 7.960 5.345 680 HG3 GLU 84 HG3 GLU 84 -13.882 6.308 5.065 681 H GLU 85 H GLU 85 -11.451 3.868 4.238 682 HA GLU 85 HA GLU 85 -12.509 2.329 3.031 683 HB2 GLU 85 HB2 GLU 85 -14.521 3.653 3.798 684 HB3 GLU 85 HB3 GLU 85 -14.484 4.481 2.249 685 HG2 GLU 85 HG2 GLU 85 -14.943 2.458 1.074 686 HG3 GLU 85 HG3 GLU 85 -14.741 1.499 2.539 687 H ASP 86 H ASP 86 -10.515 4.287 1.831 688 HA ASP 86 HA ASP 86 -11.236 4.350 -0.939 689 HB2 ASP 86 HB2 ASP 86 -9.280 5.571 0.729 690 HB3 ASP 86 HB3 ASP 86 -8.466 4.788 -0.621 691 H VAL 87 H VAL 87 -9.920 3.369 -2.600 692 HA VAL 87 HA VAL 87 -8.921 0.762 -1.721 693 HB VAL 87 HB VAL 87 -11.076 0.546 -2.886 694 HG11 VAL 87 HG11 VAL 87 -10.998 2.493 -4.317 695 HG12 VAL 87 HG12 VAL 87 -11.247 1.043 -5.291 696 HG13 VAL 87 HG13 VAL 87 -9.657 1.802 -5.229 697 HG21 VAL 87 HG21 VAL 87 -9.484 -1.278 -3.056 698 HG22 VAL 87 HG22 VAL 87 -8.734 -0.522 -4.462 699 HG23 VAL 87 HG23 VAL 87 -10.389 -1.123 -4.561 700 H ILE 88 H ILE 88 -7.060 0.091 -2.470 701 HA ILE 88 HA ILE 88 -5.671 1.752 -4.476 702 HB ILE 88 HB ILE 88 -4.292 0.130 -2.326 703 HG12 ILE 88 HG12 ILE 88 -5.574 2.020 -1.324 704 HG13 ILE 88 HG13 ILE 88 -3.834 2.216 -1.147 705 HG21 ILE 88 HG21 ILE 88 -2.294 1.338 -3.006 706 HG22 ILE 88 HG22 ILE 88 -3.234 2.230 -4.205 707 HG23 ILE 88 HG23 ILE 88 -3.017 0.490 -4.377 708 HD11 ILE 88 HD11 ILE 88 -3.815 3.806 -2.976 709 HD12 ILE 88 HD12 ILE 88 -4.947 4.308 -1.718 710 HD13 ILE 88 HD13 ILE 88 -5.549 3.581 -3.210 711 H GLU 89 H GLU 89 -4.462 0.633 -6.041 712 HA GLU 89 HA GLU 89 -5.335 -2.151 -6.349 713 HB2 GLU 89 HB2 GLU 89 -4.500 -0.298 -8.558 714 HB3 GLU 89 HB3 GLU 89 -5.471 -1.765 -8.668 715 HG2 GLU 89 HG2 GLU 89 -7.253 -0.626 -7.386 716 HG3 GLU 89 HG3 GLU 89 -6.285 0.836 -7.397 717 H VAL 90 H VAL 90 -3.810 -3.662 -6.404 718 HA VAL 90 HA VAL 90 -1.015 -2.787 -6.617 719 HB VAL 90 HB VAL 90 -2.110 -5.295 -5.324 720 HG11 VAL 90 HG11 VAL 90 0.168 -5.608 -4.493 721 HG12 VAL 90 HG12 VAL 90 0.697 -4.223 -5.449 722 HG13 VAL 90 HG13 VAL 90 0.089 -5.669 -6.254 723 HG21 VAL 90 HG21 VAL 90 -1.415 -4.259 -3.227 724 HG22 VAL 90 HG22 VAL 90 -2.638 -3.291 -4.056 725 HG23 VAL 90 HG23 VAL 90 -0.941 -2.808 -4.109 726 H TYR 91 H TYR 91 -0.236 -3.086 -8.555 727 HA TYR 91 HA TYR 91 -1.231 -5.299 -10.199 728 HB2 TYR 91 HB2 TYR 91 0.333 -2.827 -10.925 729 HB3 TYR 91 HB3 TYR 91 -0.108 -4.088 -12.070 730 HD1 TYR 91 HD1 TYR 91 -1.371 -1.374 -9.949 731 HD2 TYR 91 HD2 TYR 91 -2.366 -4.293 -12.870 732 HE1 TYR 91 HE1 TYR 91 -3.519 -0.261 -10.313 733 HE2 TYR 91 HE2 TYR 91 -4.527 -3.188 -13.243 734 HH TYR 91 HH TYR 91 -5.246 -0.082 -11.932 735 H GLN 92 H GLN 92 0.072 -6.831 -11.051 736 HA GLN 92 HA GLN 92 2.545 -7.301 -9.650 737 HB2 GLN 92 HB2 GLN 92 1.089 -9.171 -9.927 738 HB3 GLN 92 HB3 GLN 92 0.991 -8.916 -11.663 739 HG2 GLN 92 HG2 GLN 92 2.401 -10.808 -11.133 740 HG3 GLN 92 HG3 GLN 92 3.342 -9.521 -11.883 741 HE21 GLN 92 HE21 GLN 92 5.251 -10.229 -11.059 742 HE22 GLN 92 HE22 GLN 92 5.653 -10.085 -9.389 743 H GLU 93 H GLU 93 4.366 -6.478 -10.293 744 HA GLU 93 HA GLU 93 5.553 -6.919 -12.748 745 HB2 GLU 93 HB2 GLU 93 3.911 -5.257 -13.608 746 HB3 GLU 93 HB3 GLU 93 4.541 -4.072 -12.473 747 HG2 GLU 93 HG2 GLU 93 6.722 -4.186 -13.560 748 HG3 GLU 93 HG3 GLU 93 6.099 -5.379 -14.695 749 H GLN 94 H GLN 94 7.630 -6.555 -12.551 750 HA GLN 94 HA GLN 94 8.750 -6.075 -10.021 751 HB2 GLN 94 HB2 GLN 94 10.942 -5.975 -11.149 752 HB3 GLN 94 HB3 GLN 94 9.981 -7.353 -11.659 753 HG2 GLN 94 HG2 GLN 94 9.398 -6.200 -13.719 754 HG3 GLN 94 HG3 GLN 94 10.318 -4.788 -13.199 755 HE21 GLN 94 HE21 GLN 94 10.648 -6.488 -15.546 756 HE22 GLN 94 HE22 GLN 94 12.270 -7.075 -15.478 757 H THR 95 H THR 95 9.355 -4.285 -8.942 758 HA THR 95 HA THR 95 9.109 -1.726 -10.361 759 HB THR 95 HB THR 95 7.391 -2.048 -8.601 760 HG1 THR 95 HG1 THR 95 9.386 -0.075 -8.267 761 HG21 THR 95 HG21 THR 95 8.053 -2.109 -6.228 762 HG22 THR 95 HG22 THR 95 9.746 -2.209 -6.709 763 HG23 THR 95 HG23 THR 95 8.639 -3.525 -7.101 764 H GLY 96 H GLY 96 11.392 -3.552 -10.024 765 HA2 GLY 96 HA2 GLY 96 13.692 -3.021 -10.029 766 HA3 GLY 96 HA3 GLY 96 13.325 -1.558 -9.128 767 H GLY 97 H GLY 97 14.179 -4.878 -8.957 768 HA2 GLY 97 HA2 GLY 97 13.950 -4.953 -6.057 769 HA3 GLY 97 HA3 GLY 97 14.446 -6.279 -7.103 Start of MODEL 2 1 H MET 1 H MET 1 -25.854 11.287 8.751 2 HA MET 1 HA MET 1 -26.582 10.833 5.924 3 HB2 MET 1 HB2 MET 1 -28.015 9.615 7.528 4 HB3 MET 1 HB3 MET 1 -28.339 11.120 8.375 5 HG2 MET 1 HG2 MET 1 -29.396 12.012 6.353 6 HG3 MET 1 HG3 MET 1 -29.114 10.475 5.541 7 HE1 MET 1 HE1 MET 1 -31.367 8.038 7.628 8 HE2 MET 1 HE2 MET 1 -29.684 8.417 7.982 9 HE3 MET 1 HE3 MET 1 -30.202 8.187 6.313 10 H SER 2 H SER 2 -27.157 12.996 8.720 11 HA SER 2 HA SER 2 -27.999 15.181 7.205 12 HB2 SER 2 HB2 SER 2 -26.647 15.218 9.906 13 HB3 SER 2 HB3 SER 2 -27.636 16.508 9.221 14 HG SER 2 HG SER 2 -29.387 15.441 9.714 15 H ASP 3 H ASP 3 -24.809 14.758 8.747 16 HA ASP 3 HA ASP 3 -23.782 16.792 6.929 17 HB2 ASP 3 HB2 ASP 3 -21.769 16.858 8.364 18 HB3 ASP 3 HB3 ASP 3 -23.238 17.160 9.279 19 H GLN 4 H GLN 4 -23.682 15.636 5.005 20 HA GLN 4 HA GLN 4 -21.855 13.374 4.932 21 HB2 GLN 4 HB2 GLN 4 -22.604 13.118 2.596 22 HB3 GLN 4 HB3 GLN 4 -23.964 13.136 3.712 23 HG2 GLN 4 HG2 GLN 4 -24.523 15.367 3.112 24 HG3 GLN 4 HG3 GLN 4 -23.036 15.549 2.185 25 HE21 GLN 4 HE21 GLN 4 -25.814 15.861 1.388 26 HE22 GLN 4 HE22 GLN 4 -26.048 14.792 0.052 27 H GLU 5 H GLU 5 -21.193 16.236 5.321 28 HA GLU 5 HA GLU 5 -19.756 17.028 2.961 29 HB2 GLU 5 HB2 GLU 5 -20.817 18.677 4.488 30 HB3 GLU 5 HB3 GLU 5 -19.671 18.214 5.738 31 HG2 GLU 5 HG2 GLU 5 -19.089 20.314 4.565 32 HG3 GLU 5 HG3 GLU 5 -17.838 19.076 4.473 33 H ALA 6 H ALA 6 -17.506 17.310 2.847 34 HA ALA 6 HA ALA 6 -16.035 15.387 4.512 35 HB1 ALA 6 HB1 ALA 6 -16.145 14.751 2.151 36 HB2 ALA 6 HB2 ALA 6 -14.491 15.129 2.633 37 HB3 ALA 6 HB3 ALA 6 -15.426 16.296 1.700 38 H LYS 7 H LYS 7 -13.635 15.938 4.545 39 HA LYS 7 HA LYS 7 -13.418 18.658 5.527 40 HB2 LYS 7 HB2 LYS 7 -11.044 17.718 6.175 41 HB3 LYS 7 HB3 LYS 7 -12.469 17.272 7.100 42 HG2 LYS 7 HG2 LYS 7 -11.112 15.322 6.731 43 HG3 LYS 7 HG3 LYS 7 -12.605 15.166 5.814 44 HD2 LYS 7 HD2 LYS 7 -10.900 14.433 4.364 45 HD3 LYS 7 HD3 LYS 7 -11.292 16.066 3.828 46 HE2 LYS 7 HE2 LYS 7 -8.906 15.824 3.862 47 HE3 LYS 7 HE3 LYS 7 -9.381 16.910 5.170 48 HZ1 LYS 7 HZ1 LYS 7 -9.135 15.130 6.749 49 HZ2 LYS 7 HZ2 LYS 7 -7.715 15.217 5.822 50 HZ3 LYS 7 HZ3 LYS 7 -8.850 14.010 5.510 51 HA PRO 8 HA PRO 8 -11.035 20.105 2.057 52 HB2 PRO 8 HB2 PRO 8 -9.839 22.222 3.118 53 HB3 PRO 8 HB3 PRO 8 -11.606 22.169 3.014 54 HG2 PRO 8 HG2 PRO 8 -9.843 21.498 5.352 55 HG3 PRO 8 HG3 PRO 8 -11.257 22.580 5.312 56 HD2 PRO 8 HD2 PRO 8 -11.400 20.011 6.149 57 HD3 PRO 8 HD3 PRO 8 -12.741 20.814 5.304 58 H SER 9 H SER 9 -8.695 20.898 1.624 59 HA SER 9 HA SER 9 -6.872 18.907 2.672 60 HB2 SER 9 HB2 SER 9 -6.339 21.085 0.634 61 HB3 SER 9 HB3 SER 9 -5.347 19.659 0.942 62 HG SER 9 HG SER 9 -6.571 18.602 -0.380 63 H THR 10 H THR 10 -7.088 19.887 4.825 64 HA THR 10 HA THR 10 -5.787 22.433 5.242 65 HB THR 10 HB THR 10 -7.844 21.772 6.512 66 HG1 THR 10 HG1 THR 10 -6.870 23.331 7.600 67 HG21 THR 10 HG21 THR 10 -7.598 20.233 8.413 68 HG22 THR 10 HG22 THR 10 -5.953 19.868 7.889 69 HG23 THR 10 HG23 THR 10 -7.320 19.421 6.873 70 H GLU 11 H GLU 11 -4.393 22.261 7.473 71 HA GLU 11 HA GLU 11 -2.036 20.819 6.631 72 HB2 GLU 11 HB2 GLU 11 -2.478 22.575 9.038 73 HB3 GLU 11 HB3 GLU 11 -0.931 21.988 8.449 74 HG2 GLU 11 HG2 GLU 11 -2.776 23.837 6.951 75 HG3 GLU 11 HG3 GLU 11 -1.338 24.329 7.842 76 H ASP 12 H ASP 12 -1.438 18.912 7.390 77 HA ASP 12 HA ASP 12 -2.292 18.103 10.051 78 HB2 ASP 12 HB2 ASP 12 -3.934 17.109 8.517 79 HB3 ASP 12 HB3 ASP 12 -2.637 16.376 7.583 80 H LEU 13 H LEU 13 -1.098 16.064 10.655 81 HA LEU 13 HA LEU 13 1.367 15.423 9.524 82 HB2 LEU 13 HB2 LEU 13 2.798 16.553 11.376 83 HB3 LEU 13 HB3 LEU 13 2.347 17.462 9.951 84 HG LEU 13 HG LEU 13 0.480 18.484 11.301 85 HD11 LEU 13 HD11 LEU 13 0.644 18.403 13.726 86 HD12 LEU 13 HD12 LEU 13 1.943 17.217 13.596 87 HD13 LEU 13 HD13 LEU 13 0.318 16.808 13.046 88 HD21 LEU 13 HD21 LEU 13 1.940 20.054 12.469 89 HD22 LEU 13 HD22 LEU 13 2.548 19.676 10.856 90 HD23 LEU 13 HD23 LEU 13 3.293 18.939 12.275 91 H GLY 14 H GLY 14 2.832 14.300 11.207 92 HA2 GLY 14 HA2 GLY 14 1.017 12.864 13.039 93 HA3 GLY 14 HA3 GLY 14 2.395 12.125 12.225 94 H ASP 15 H ASP 15 2.178 15.239 13.880 95 HA ASP 15 HA ASP 15 4.223 14.277 15.755 96 HB2 ASP 15 HB2 ASP 15 4.073 16.938 14.334 97 HB3 ASP 15 HB3 ASP 15 5.118 16.638 15.716 98 H LYS 16 H LYS 16 1.857 16.869 15.220 99 HA LYS 16 HA LYS 16 1.559 17.183 18.103 100 HB2 LYS 16 HB2 LYS 16 0.475 18.821 15.809 101 HB3 LYS 16 HB3 LYS 16 0.233 19.185 17.507 102 HG2 LYS 16 HG2 LYS 16 2.711 19.387 17.739 103 HG3 LYS 16 HG3 LYS 16 2.830 19.203 15.990 104 HD2 LYS 16 HD2 LYS 16 2.875 21.562 16.611 105 HD3 LYS 16 HD3 LYS 16 1.417 21.190 15.691 106 HE2 LYS 16 HE2 LYS 16 0.110 21.102 17.738 107 HE3 LYS 16 HE3 LYS 16 1.562 21.361 18.703 108 HZ1 LYS 16 HZ1 LYS 16 0.312 23.395 18.456 109 HZ2 LYS 16 HZ2 LYS 16 0.371 23.276 16.777 110 HZ3 LYS 16 HZ3 LYS 16 1.790 23.536 17.653 111 H LYS 17 H LYS 17 -0.942 18.053 18.404 112 HA LYS 17 HA LYS 17 -2.539 15.666 18.107 113 HB2 LYS 17 HB2 LYS 17 -3.048 18.333 19.411 114 HB3 LYS 17 HB3 LYS 17 -4.235 17.045 19.358 115 HG2 LYS 17 HG2 LYS 17 -2.733 15.602 20.624 116 HG3 LYS 17 HG3 LYS 17 -1.538 16.902 20.674 117 HD2 LYS 17 HD2 LYS 17 -2.814 16.860 22.746 118 HD3 LYS 17 HD3 LYS 17 -3.158 18.327 21.824 119 HE2 LYS 17 HE2 LYS 17 -5.217 17.309 20.975 120 HE3 LYS 17 HE3 LYS 17 -4.886 15.856 21.918 121 HZ1 LYS 17 HZ1 LYS 17 -6.478 17.394 22.963 122 HZ2 LYS 17 HZ2 LYS 17 -5.261 18.559 23.075 123 HZ3 LYS 17 HZ3 LYS 17 -5.119 17.103 23.923 124 H GLU 18 H GLU 18 -5.074 16.658 17.898 125 HA GLU 18 HA GLU 18 -6.658 16.906 16.327 126 HB2 GLU 18 HB2 GLU 18 -4.973 19.336 16.003 127 HB3 GLU 18 HB3 GLU 18 -6.389 19.098 14.985 128 HG2 GLU 18 HG2 GLU 18 -7.723 18.832 17.092 129 HG3 GLU 18 HG3 GLU 18 -6.286 19.336 17.980 130 H GLY 19 H GLY 19 -5.195 14.972 15.470 131 HA2 GLY 19 HA2 GLY 19 -4.861 15.523 12.604 132 HA3 GLY 19 HA3 GLY 19 -3.741 14.482 13.484 133 H GLU 20 H GLU 20 -6.267 14.351 11.444 134 HA GLU 20 HA GLU 20 -7.736 12.285 12.818 135 HB2 GLU 20 HB2 GLU 20 -9.274 12.338 10.957 136 HB3 GLU 20 HB3 GLU 20 -8.949 13.978 11.496 137 HG2 GLU 20 HG2 GLU 20 -7.456 14.330 9.625 138 HG3 GLU 20 HG3 GLU 20 -7.669 12.657 9.114 139 H TYR 21 H TYR 21 -8.056 10.220 11.987 140 HA TYR 21 HA TYR 21 -6.050 9.297 10.092 141 HB2 TYR 21 HB2 TYR 21 -6.256 7.136 11.733 142 HB3 TYR 21 HB3 TYR 21 -4.992 8.347 11.866 143 HD1 TYR 21 HD1 TYR 21 -5.154 10.119 13.592 144 HD2 TYR 21 HD2 TYR 21 -7.921 6.889 13.428 145 HE1 TYR 21 HE1 TYR 21 -5.813 10.581 15.903 146 HE2 TYR 21 HE2 TYR 21 -8.596 7.347 15.745 147 HH TYR 21 HH TYR 21 -7.641 8.413 17.759 148 H ILE 22 H ILE 22 -6.708 7.428 8.805 149 HA ILE 22 HA ILE 22 -9.547 6.897 8.979 150 HB ILE 22 HB ILE 22 -9.642 7.199 6.437 151 HG12 ILE 22 HG12 ILE 22 -8.052 9.124 5.705 152 HG13 ILE 22 HG13 ILE 22 -7.043 8.601 7.043 153 HG21 ILE 22 HG21 ILE 22 -10.768 8.685 8.004 154 HG22 ILE 22 HG22 ILE 22 -10.142 9.582 6.620 155 HG23 ILE 22 HG23 ILE 22 -9.294 9.640 8.165 156 HD11 ILE 22 HD11 ILE 22 -6.298 7.656 4.943 157 HD12 ILE 22 HD12 ILE 22 -7.881 6.917 4.698 158 HD13 ILE 22 HD13 ILE 22 -6.860 6.392 6.036 159 H LYS 23 H LYS 23 -10.211 5.074 7.675 160 HA LYS 23 HA LYS 23 -8.157 2.979 7.569 161 HB2 LYS 23 HB2 LYS 23 -10.024 1.431 7.507 162 HB3 LYS 23 HB3 LYS 23 -10.307 2.591 8.801 163 HG2 LYS 23 HG2 LYS 23 -11.832 3.840 7.389 164 HG3 LYS 23 HG3 LYS 23 -11.512 2.751 6.046 165 HD2 LYS 23 HD2 LYS 23 -12.441 0.889 7.396 166 HD3 LYS 23 HD3 LYS 23 -12.856 2.059 8.656 167 HE2 LYS 23 HE2 LYS 23 -14.282 3.265 7.092 168 HE3 LYS 23 HE3 LYS 23 -13.826 2.156 5.803 169 HZ1 LYS 23 HZ1 LYS 23 -14.806 0.361 7.240 170 HZ2 LYS 23 HZ2 LYS 23 -15.894 1.447 6.543 171 HZ3 LYS 23 HZ3 LYS 23 -15.482 1.595 8.184 172 H LEU 24 H LEU 24 -7.989 1.602 5.691 173 HA LEU 24 HA LEU 24 -9.483 2.308 3.328 174 HB2 LEU 24 HB2 LEU 24 -6.497 2.225 3.013 175 HB3 LEU 24 HB3 LEU 24 -7.709 2.814 1.913 176 HG LEU 24 HG LEU 24 -7.933 4.456 4.140 177 HD11 LEU 24 HD11 LEU 24 -5.048 4.130 3.382 178 HD12 LEU 24 HD12 LEU 24 -5.775 3.517 4.868 179 HD13 LEU 24 HD13 LEU 24 -5.726 5.257 4.560 180 HD21 LEU 24 HD21 LEU 24 -7.039 6.153 2.607 181 HD22 LEU 24 HD22 LEU 24 -8.266 5.134 1.857 182 HD23 LEU 24 HD23 LEU 24 -6.560 4.870 1.495 183 H LYS 25 H LYS 25 -8.433 0.880 1.465 184 HA LYS 25 HA LYS 25 -7.671 -1.755 2.431 185 HB2 LYS 25 HB2 LYS 25 -10.089 -1.869 2.611 186 HB3 LYS 25 HB3 LYS 25 -10.275 -1.229 0.991 187 HG2 LYS 25 HG2 LYS 25 -8.726 -3.728 1.242 188 HG3 LYS 25 HG3 LYS 25 -10.450 -3.830 1.594 189 HD2 LYS 25 HD2 LYS 25 -9.291 -2.646 -0.925 190 HD3 LYS 25 HD3 LYS 25 -9.854 -4.311 -0.778 191 HE2 LYS 25 HE2 LYS 25 -11.527 -1.840 -0.344 192 HE3 LYS 25 HE3 LYS 25 -11.553 -2.858 -1.785 193 HZ1 LYS 25 HZ1 LYS 25 -13.351 -3.572 -0.504 194 HZ2 LYS 25 HZ2 LYS 25 -12.488 -3.497 0.940 195 HZ3 LYS 25 HZ3 LYS 25 -12.154 -4.725 -0.174 196 H VAL 26 H VAL 26 -6.645 -2.992 0.829 197 HA VAL 26 HA VAL 26 -6.538 -1.784 -1.838 198 HB VAL 26 HB VAL 26 -4.193 -1.707 -2.012 199 HG11 VAL 26 HG11 VAL 26 -3.386 -0.343 -0.181 200 HG12 VAL 26 HG12 VAL 26 -4.714 -0.904 0.837 201 HG13 VAL 26 HG13 VAL 26 -5.052 0.086 -0.577 202 HG21 VAL 26 HG21 VAL 26 -3.805 -3.924 -1.018 203 HG22 VAL 26 HG22 VAL 26 -3.908 -3.182 0.580 204 HG23 VAL 26 HG23 VAL 26 -2.620 -2.715 -0.528 205 H ILE 27 H ILE 27 -6.318 -3.291 -3.542 206 HA ILE 27 HA ILE 27 -6.292 -6.084 -2.666 207 HB ILE 27 HB ILE 27 -7.694 -4.869 -5.061 208 HG12 ILE 27 HG12 ILE 27 -9.000 -5.863 -2.545 209 HG13 ILE 27 HG13 ILE 27 -8.544 -4.179 -2.760 210 HG21 ILE 27 HG21 ILE 27 -8.838 -7.026 -5.199 211 HG22 ILE 27 HG22 ILE 27 -7.928 -7.607 -3.804 212 HG23 ILE 27 HG23 ILE 27 -7.089 -7.236 -5.311 213 HD11 ILE 27 HD11 ILE 27 -10.895 -4.565 -3.259 214 HD12 ILE 27 HD12 ILE 27 -10.445 -5.715 -4.521 215 HD13 ILE 27 HD13 ILE 27 -10.011 -4.011 -4.678 216 H GLY 28 H GLY 28 -5.127 -7.503 -4.005 217 HA2 GLY 28 HA2 GLY 28 -3.448 -6.153 -6.024 218 HA3 GLY 28 HA3 GLY 28 -2.809 -7.392 -4.948 219 H GLN 29 H GLN 29 -2.337 -7.837 -7.463 220 HA GLN 29 HA GLN 29 -4.288 -9.084 -9.052 221 HB2 GLN 29 HB2 GLN 29 -2.557 -9.657 -10.484 222 HB3 GLN 29 HB3 GLN 29 -1.822 -8.332 -9.594 223 HG2 GLN 29 HG2 GLN 29 -1.416 -11.263 -8.995 224 HG3 GLN 29 HG3 GLN 29 -0.302 -10.263 -9.911 225 HE21 GLN 29 HE21 GLN 29 -0.618 -7.933 -8.195 226 HE22 GLN 29 HE22 GLN 29 0.182 -8.321 -6.706 227 H ASP 30 H ASP 30 -2.845 -10.097 -6.189 228 HA ASP 30 HA ASP 30 -2.924 -12.925 -6.700 229 HB2 ASP 30 HB2 ASP 30 -1.324 -11.593 -5.134 230 HB3 ASP 30 HB3 ASP 30 -2.657 -11.658 -3.989 231 H SER 31 H SER 31 -5.318 -10.691 -6.257 232 HA SER 31 HA SER 31 -7.459 -10.756 -5.849 233 HB2 SER 31 HB2 SER 31 -8.732 -12.838 -5.848 234 HB3 SER 31 HB3 SER 31 -7.498 -12.913 -7.099 235 HG SER 31 HG SER 31 -6.234 -14.008 -5.307 236 H SER 32 H SER 32 -5.393 -10.626 -3.779 237 HA SER 32 HA SER 32 -7.053 -11.265 -1.456 238 HB2 SER 32 HB2 SER 32 -4.773 -12.348 -1.623 239 HB3 SER 32 HB3 SER 32 -4.079 -10.736 -1.484 240 HG SER 32 HG SER 32 -4.689 -12.282 0.470 241 H GLU 33 H GLU 33 -6.928 -9.698 0.264 242 HA GLU 33 HA GLU 33 -6.144 -6.999 -0.504 243 HB2 GLU 33 HB2 GLU 33 -8.281 -5.984 -0.031 244 HB3 GLU 33 HB3 GLU 33 -8.465 -7.216 -1.270 245 HG2 GLU 33 HG2 GLU 33 -9.380 -8.754 0.371 246 HG3 GLU 33 HG3 GLU 33 -9.166 -7.542 1.634 247 H ILE 34 H ILE 34 -5.774 -5.599 1.148 248 HA ILE 34 HA ILE 34 -5.898 -6.743 3.861 249 HB ILE 34 HB ILE 34 -3.564 -6.589 3.000 250 HG12 ILE 34 HG12 ILE 34 -2.758 -4.913 4.896 251 HG13 ILE 34 HG13 ILE 34 -4.450 -5.025 5.376 252 HG21 ILE 34 HG21 ILE 34 -2.539 -4.342 2.776 253 HG22 ILE 34 HG22 ILE 34 -4.170 -3.664 2.795 254 HG23 ILE 34 HG23 ILE 34 -3.687 -4.781 1.515 255 HD11 ILE 34 HD11 ILE 34 -4.226 -7.458 5.522 256 HD12 ILE 34 HD12 ILE 34 -3.095 -6.618 6.585 257 HD13 ILE 34 HD13 ILE 34 -2.528 -7.312 5.066 258 H HIS 35 H HIS 35 -6.679 -5.432 5.470 259 HA HIS 35 HA HIS 35 -7.641 -2.755 4.656 260 HB2 HIS 35 HB2 HIS 35 -8.719 -4.572 6.838 261 HB3 HIS 35 HB3 HIS 35 -9.332 -2.977 6.450 262 HD1 HIS 35 HD1 HIS 35 -11.654 -4.314 6.153 263 HD2 HIS 35 HD2 HIS 35 -8.728 -5.050 3.289 264 HE1 HIS 35 HE1 HIS 35 -12.839 -5.446 4.249 265 HE2 HIS 35 HE2 HIS 35 -11.072 -5.790 2.480 266 H PHE 36 H PHE 36 -6.936 -1.030 5.879 267 HA PHE 36 HA PHE 36 -5.634 -1.614 8.417 268 HB2 PHE 36 HB2 PHE 36 -3.653 -0.147 7.652 269 HB3 PHE 36 HB3 PHE 36 -3.710 -1.815 7.106 270 HD1 PHE 36 HD1 PHE 36 -4.307 1.676 6.084 271 HD2 PHE 36 HD2 PHE 36 -3.841 -2.358 4.837 272 HE1 PHE 36 HE1 PHE 36 -4.143 2.418 3.751 273 HE2 PHE 36 HE2 PHE 36 -3.676 -1.622 2.505 274 HZ PHE 36 HZ PHE 36 -3.832 0.772 1.958 275 HH31 ALY 37 HH31 ALY 37 -9.528 -0.417 15.025 276 HH32 ALY 37 HH32 ALY 37 -10.850 -0.985 16.063 277 HH33 ALY 37 HH33 ALY 37 -10.580 0.753 15.806 278 HZ ALY 37 HZ ALY 37 -11.660 1.475 13.226 279 HE3 ALY 37 HE3 ALY 37 -10.021 -0.693 12.112 280 HE2 ALY 37 HE2 ALY 37 -10.829 0.563 11.172 281 HD3 ALY 37 HD3 ALY 37 -9.358 2.231 12.344 282 HD2 ALY 37 HD2 ALY 37 -8.459 0.863 13.000 283 HG3 ALY 37 HG3 ALY 37 -8.019 0.090 10.705 284 HG2 ALY 37 HG2 ALY 37 -8.858 1.518 10.094 285 HB3 ALY 37 HB3 ALY 37 -7.231 2.915 11.373 286 HB2 ALY 37 HB2 ALY 37 -6.344 1.444 11.740 287 HCA ALY 37 HCA ALY 37 -6.840 2.545 8.969 288 H ALY 37 H ALY 37 -5.283 0.181 9.743 289 H VAL 38 H VAL 38 -5.381 3.936 8.266 290 HA VAL 38 HA VAL 38 -2.952 4.328 9.866 291 HB VAL 38 HB VAL 38 -1.962 5.357 7.859 292 HG11 VAL 38 HG11 VAL 38 -3.062 2.593 7.409 293 HG12 VAL 38 HG12 VAL 38 -1.572 3.009 8.252 294 HG13 VAL 38 HG13 VAL 38 -1.718 3.310 6.519 295 HG21 VAL 38 HG21 VAL 38 -3.988 6.180 6.794 296 HG22 VAL 38 HG22 VAL 38 -4.519 4.526 6.494 297 HG23 VAL 38 HG23 VAL 38 -3.082 5.152 5.683 298 H LYS 39 H LYS 39 -2.269 6.802 8.880 299 HA LYS 39 HA LYS 39 -4.436 8.427 10.000 300 HB2 LYS 39 HB2 LYS 39 -2.325 8.341 11.360 301 HB3 LYS 39 HB3 LYS 39 -1.490 9.108 10.016 302 HG2 LYS 39 HG2 LYS 39 -2.808 11.090 10.244 303 HG3 LYS 39 HG3 LYS 39 -3.840 10.320 11.448 304 HD2 LYS 39 HD2 LYS 39 -1.985 10.184 12.995 305 HD3 LYS 39 HD3 LYS 39 -0.890 10.859 11.781 306 HE2 LYS 39 HE2 LYS 39 -3.272 12.233 13.020 307 HE3 LYS 39 HE3 LYS 39 -1.576 12.573 13.360 308 HZ1 LYS 39 HZ1 LYS 39 -1.286 13.276 11.076 309 HZ2 LYS 39 HZ2 LYS 39 -2.512 14.177 11.794 310 HZ3 LYS 39 HZ3 LYS 39 -2.900 12.943 10.718 311 H MET 40 H MET 40 -4.633 10.661 9.111 312 HA MET 40 HA MET 40 -4.890 10.752 6.362 313 HB2 MET 40 HB2 MET 40 -6.010 12.382 7.719 314 HB3 MET 40 HB3 MET 40 -4.490 12.974 8.366 315 HG2 MET 40 HG2 MET 40 -5.036 14.628 6.872 316 HG3 MET 40 HG3 MET 40 -3.987 13.608 5.896 317 HE1 MET 40 HE1 MET 40 -6.079 11.148 4.967 318 HE2 MET 40 HE2 MET 40 -4.775 11.975 4.120 319 HE3 MET 40 HE3 MET 40 -6.387 11.904 3.404 320 H THR 41 H THR 41 -2.250 11.810 8.335 321 HA THR 41 HA THR 41 -0.580 11.738 5.927 322 HB THR 41 HB THR 41 0.904 13.373 7.112 323 HG1 THR 41 HG1 THR 41 -1.288 13.922 8.799 324 HG21 THR 41 HG21 THR 41 -0.658 14.159 5.459 325 HG22 THR 41 HG22 THR 41 -0.711 15.279 6.825 326 HG23 THR 41 HG23 THR 41 -1.984 14.068 6.610 327 H THR 42 H THR 42 0.723 10.072 5.856 328 HA THR 42 HA THR 42 2.535 9.420 7.879 329 HB THR 42 HB THR 42 0.414 8.433 8.862 330 HG1 THR 42 HG1 THR 42 2.118 7.422 9.706 331 HG21 THR 42 HG21 THR 42 0.681 6.599 6.475 332 HG22 THR 42 HG22 THR 42 -0.681 7.658 6.862 333 HG23 THR 42 HG23 THR 42 -0.323 6.266 7.885 334 H HIS 43 H HIS 43 3.563 7.144 7.250 335 HA HIS 43 HA HIS 43 3.999 7.304 4.367 336 HB2 HIS 43 HB2 HIS 43 5.525 5.793 6.498 337 HB3 HIS 43 HB3 HIS 43 5.943 5.832 4.791 338 HD1 HIS 43 HD1 HIS 43 7.373 7.107 7.553 339 HD2 HIS 43 HD2 HIS 43 5.760 9.019 4.233 340 HE1 HIS 43 HE1 HIS 43 8.485 9.355 7.465 341 HE2 HIS 43 HE2 HIS 43 7.585 10.449 5.386 342 H LEU 44 H LEU 44 2.963 6.010 3.053 343 HA LEU 44 HA LEU 44 1.320 3.871 3.897 344 HB2 LEU 44 HB2 LEU 44 2.355 4.464 1.133 345 HB3 LEU 44 HB3 LEU 44 1.060 3.348 1.503 346 HG LEU 44 HG LEU 44 1.057 6.339 1.756 347 HD11 LEU 44 HD11 LEU 44 -0.903 6.125 0.280 348 HD12 LEU 44 HD12 LEU 44 -0.616 4.384 0.200 349 HD13 LEU 44 HD13 LEU 44 0.583 5.506 -0.439 350 HD21 LEU 44 HD21 LEU 44 -1.232 6.126 2.669 351 HD22 LEU 44 HD22 LEU 44 -0.006 5.480 3.760 352 HD23 LEU 44 HD23 LEU 44 -0.997 4.382 2.797 353 H LYS 45 H LYS 45 4.635 3.911 3.516 354 HA LYS 45 HA LYS 45 5.210 1.402 2.456 355 HB2 LYS 45 HB2 LYS 45 6.820 3.277 2.961 356 HB3 LYS 45 HB3 LYS 45 6.740 2.808 4.644 357 HG2 LYS 45 HG2 LYS 45 7.466 0.760 2.622 358 HG3 LYS 45 HG3 LYS 45 8.671 1.958 3.071 359 HD2 LYS 45 HD2 LYS 45 7.225 0.082 4.946 360 HD3 LYS 45 HD3 LYS 45 8.897 -0.079 4.404 361 HE2 LYS 45 HE2 LYS 45 9.437 2.062 5.497 362 HE3 LYS 45 HE3 LYS 45 7.774 2.191 6.060 363 HZ1 LYS 45 HZ1 LYS 45 9.754 0.125 6.825 364 HZ2 LYS 45 HZ2 LYS 45 8.125 0.062 7.256 365 HZ3 LYS 45 HZ3 LYS 45 9.102 1.325 7.818 366 H LYS 46 H LYS 46 4.083 2.344 5.634 367 HA LYS 46 HA LYS 46 4.695 -0.053 6.996 368 HB2 LYS 46 HB2 LYS 46 3.161 0.720 8.720 369 HB3 LYS 46 HB3 LYS 46 4.161 2.053 8.166 370 HG2 LYS 46 HG2 LYS 46 2.127 3.096 8.242 371 HG3 LYS 46 HG3 LYS 46 2.092 2.496 6.586 372 HD2 LYS 46 HD2 LYS 46 0.005 1.866 7.356 373 HD3 LYS 46 HD3 LYS 46 0.949 0.406 7.640 374 HE2 LYS 46 HE2 LYS 46 0.362 2.521 9.712 375 HE3 LYS 46 HE3 LYS 46 -0.531 1.017 9.535 376 HZ1 LYS 46 HZ1 LYS 46 1.097 0.816 11.273 377 HZ2 LYS 46 HZ2 LYS 46 2.345 1.283 10.243 378 HZ3 LYS 46 HZ3 LYS 46 1.541 -0.184 9.989 379 H LEU 47 H LEU 47 2.124 0.792 4.787 380 HA LEU 47 HA LEU 47 0.467 -1.401 5.672 381 HB2 LEU 47 HB2 LEU 47 -1.167 -0.687 4.167 382 HB3 LEU 47 HB3 LEU 47 -0.437 0.792 4.741 383 HG LEU 47 HG LEU 47 1.007 0.490 2.530 384 HD11 LEU 47 HD11 LEU 47 -0.016 -1.611 1.868 385 HD12 LEU 47 HD12 LEU 47 -0.388 -0.338 0.702 386 HD13 LEU 47 HD13 LEU 47 -1.608 -0.851 1.868 387 HD21 LEU 47 HD21 LEU 47 -0.270 2.430 3.080 388 HD22 LEU 47 HD22 LEU 47 -1.776 1.593 2.698 389 HD23 LEU 47 HD23 LEU 47 -0.614 1.958 1.415 390 H LYS 48 H LYS 48 2.855 -0.674 3.250 391 HA LYS 48 HA LYS 48 2.506 -2.879 1.543 392 HB2 LYS 48 HB2 LYS 48 4.767 -1.103 2.273 393 HB3 LYS 48 HB3 LYS 48 5.194 -2.657 1.582 394 HG2 LYS 48 HG2 LYS 48 5.156 -1.138 -0.184 395 HG3 LYS 48 HG3 LYS 48 3.667 -2.078 -0.341 396 HD2 LYS 48 HD2 LYS 48 2.391 -0.271 0.601 397 HD3 LYS 48 HD3 LYS 48 3.866 0.643 0.949 398 HE2 LYS 48 HE2 LYS 48 2.510 0.122 -1.658 399 HE3 LYS 48 HE3 LYS 48 3.188 1.623 -1.026 400 HZ1 LYS 48 HZ1 LYS 48 4.653 -0.686 -2.187 401 HZ2 LYS 48 HZ2 LYS 48 5.437 0.496 -1.285 402 HZ3 LYS 48 HZ3 LYS 48 4.657 0.915 -2.735 403 H GLU 49 H GLU 49 4.717 -2.495 4.317 404 HA GLU 49 HA GLU 49 5.620 -5.049 4.564 405 HB2 GLU 49 HB2 GLU 49 4.901 -3.224 6.839 406 HB3 GLU 49 HB3 GLU 49 6.087 -4.525 6.856 407 HG2 GLU 49 HG2 GLU 49 7.336 -3.315 5.114 408 HG3 GLU 49 HG3 GLU 49 6.208 -1.977 5.278 409 H SER 50 H SER 50 2.780 -3.663 6.174 410 HA SER 50 HA SER 50 2.019 -5.961 7.542 411 HB2 SER 50 HB2 SER 50 1.115 -3.564 7.766 412 HB3 SER 50 HB3 SER 50 0.021 -3.987 6.450 413 HG SER 50 HG SER 50 -1.143 -5.092 7.814 414 H TYR 51 H TYR 51 1.482 -5.030 4.204 415 HA TYR 51 HA TYR 51 -0.465 -7.028 3.614 416 HB2 TYR 51 HB2 TYR 51 0.137 -4.919 2.242 417 HB3 TYR 51 HB3 TYR 51 1.479 -5.866 1.616 418 HD1 TYR 51 HD1 TYR 51 0.377 -8.460 1.078 419 HD2 TYR 51 HD2 TYR 51 -1.443 -4.662 0.593 420 HE1 TYR 51 HE1 TYR 51 -1.080 -9.395 -0.669 421 HE2 TYR 51 HE2 TYR 51 -2.922 -5.590 -1.162 422 HH TYR 51 HH TYR 51 -3.042 -7.388 -2.678 423 H CYS 52 H CYS 52 3.068 -6.852 3.191 424 HA CYS 52 HA CYS 52 3.374 -9.454 2.126 425 HB2 CYS 52 HB2 CYS 52 5.097 -7.744 1.823 426 HB3 CYS 52 HB3 CYS 52 5.369 -7.644 3.541 427 HG CYS 52 HG CYS 52 5.797 -10.734 2.408 428 H GLN 53 H GLN 53 3.283 -8.175 5.372 429 HA GLN 53 HA GLN 53 4.263 -10.529 6.656 430 HB2 GLN 53 HB2 GLN 53 2.817 -8.099 7.697 431 HB3 GLN 53 HB3 GLN 53 3.409 -9.397 8.728 432 HG2 GLN 53 HG2 GLN 53 5.203 -7.937 6.845 433 HG3 GLN 53 HG3 GLN 53 4.883 -7.321 8.465 434 HE21 GLN 53 HE21 GLN 53 7.369 -8.229 7.325 435 HE22 GLN 53 HE22 GLN 53 7.914 -9.550 8.296 436 H ARG 54 H ARG 54 1.058 -9.288 5.901 437 HA ARG 54 HA ARG 54 -0.269 -11.330 7.453 438 HB2 ARG 54 HB2 ARG 54 -1.246 -9.112 7.286 439 HB3 ARG 54 HB3 ARG 54 -1.324 -9.264 5.537 440 HG2 ARG 54 HG2 ARG 54 -3.513 -9.591 6.521 441 HG3 ARG 54 HG3 ARG 54 -2.946 -11.083 5.770 442 HD2 ARG 54 HD2 ARG 54 -2.275 -11.932 7.950 443 HD3 ARG 54 HD3 ARG 54 -2.811 -10.434 8.711 444 HE ARG 54 HE ARG 54 -4.961 -11.473 7.285 445 HH11 ARG 54 HH11 ARG 54 -2.967 -12.401 10.026 446 HH12 ARG 54 HH12 ARG 54 -4.241 -13.251 10.824 447 HH21 ARG 54 HH21 ARG 54 -6.644 -12.609 8.340 448 HH22 ARG 54 HH22 ARG 54 -6.335 -13.382 9.859 449 H GLN 55 H GLN 55 0.102 -10.585 3.998 450 HA GLN 55 HA GLN 55 -1.285 -13.044 3.309 451 HB2 GLN 55 HB2 GLN 55 -0.372 -10.653 1.770 452 HB3 GLN 55 HB3 GLN 55 -0.742 -12.144 0.918 453 HG2 GLN 55 HG2 GLN 55 -2.691 -10.813 0.844 454 HG3 GLN 55 HG3 GLN 55 -3.000 -12.098 2.006 455 HE21 GLN 55 HE21 GLN 55 -1.053 -9.251 2.660 456 HE22 GLN 55 HE22 GLN 55 -2.150 -8.549 3.797 457 H GLY 56 H GLY 56 1.903 -12.027 3.799 458 HA2 GLY 56 HA2 GLY 56 3.896 -13.152 3.593 459 HA3 GLY 56 HA3 GLY 56 2.964 -14.588 3.206 460 H VAL 57 H VAL 57 2.511 -11.812 1.203 461 HA VAL 57 HA VAL 57 3.931 -13.228 -0.927 462 HB VAL 57 HB VAL 57 2.617 -11.794 -2.509 463 HG11 VAL 57 HG11 VAL 57 1.007 -13.460 -0.583 464 HG12 VAL 57 HG12 VAL 57 1.902 -14.056 -1.981 465 HG13 VAL 57 HG13 VAL 57 0.508 -13.001 -2.212 466 HG21 VAL 57 HG21 VAL 57 2.132 -9.931 -1.024 467 HG22 VAL 57 HG22 VAL 57 1.151 -10.978 -0.001 468 HG23 VAL 57 HG23 VAL 57 0.635 -10.624 -1.650 469 HA PRO 58 HA PRO 58 7.158 -10.264 -1.082 470 HB2 PRO 58 HB2 PRO 58 7.736 -10.351 -3.766 471 HB3 PRO 58 HB3 PRO 58 8.253 -11.577 -2.606 472 HG2 PRO 58 HG2 PRO 58 5.925 -11.607 -4.481 473 HG3 PRO 58 HG3 PRO 58 7.055 -12.912 -4.079 474 HD2 PRO 58 HD2 PRO 58 4.593 -12.791 -3.014 475 HD3 PRO 58 HD3 PRO 58 5.982 -13.395 -2.087 476 H MET 59 H MET 59 6.566 -8.233 -0.734 477 HA MET 59 HA MET 59 4.674 -6.829 -2.319 478 HB2 MET 59 HB2 MET 59 6.362 -6.133 0.030 479 HB3 MET 59 HB3 MET 59 5.611 -4.830 -0.890 480 HG2 MET 59 HG2 MET 59 4.203 -7.145 0.406 481 HG3 MET 59 HG3 MET 59 4.253 -5.488 1.018 482 HE1 MET 59 HE1 MET 59 1.500 -7.309 -2.077 483 HE2 MET 59 HE2 MET 59 2.047 -7.977 -0.541 484 HE3 MET 59 HE3 MET 59 3.169 -7.850 -1.893 485 H ASN 60 H ASN 60 7.869 -7.444 -2.917 486 HA ASN 60 HA ASN 60 8.360 -4.915 -4.291 487 HB2 ASN 60 HB2 ASN 60 10.096 -7.370 -3.952 488 HB3 ASN 60 HB3 ASN 60 10.568 -5.957 -4.884 489 HD21 ASN 60 HD21 ASN 60 8.752 -5.838 -1.891 490 HD22 ASN 60 HD22 ASN 60 9.980 -5.100 -0.932 491 H SER 61 H SER 61 7.190 -8.020 -4.942 492 HA SER 61 HA SER 61 7.797 -8.121 -7.732 493 HB2 SER 61 HB2 SER 61 5.723 -9.652 -6.150 494 HB3 SER 61 HB3 SER 61 6.230 -10.023 -7.798 495 HG SER 61 HG SER 61 7.396 -11.310 -6.402 496 H LEU 62 H LEU 62 5.408 -6.463 -5.937 497 HA LEU 62 HA LEU 62 4.133 -5.716 -8.439 498 HB2 LEU 62 HB2 LEU 62 1.974 -5.521 -7.044 499 HB3 LEU 62 HB3 LEU 62 2.463 -7.068 -7.677 500 HG LEU 62 HG LEU 62 1.506 -7.059 -5.347 501 HD11 LEU 62 HD11 LEU 62 4.249 -8.222 -5.654 502 HD12 LEU 62 HD12 LEU 62 2.740 -8.947 -6.208 503 HD13 LEU 62 HD13 LEU 62 3.029 -8.723 -4.482 504 HD21 LEU 62 HD21 LEU 62 2.962 -6.465 -3.492 505 HD22 LEU 62 HD22 LEU 62 2.608 -5.059 -4.497 506 HD23 LEU 62 HD23 LEU 62 4.174 -5.863 -4.620 507 H ARG 63 H ARG 63 2.728 -3.685 -8.068 508 HA ARG 63 HA ARG 63 4.096 -1.892 -6.183 509 HB2 ARG 63 HB2 ARG 63 3.927 -0.049 -7.804 510 HB3 ARG 63 HB3 ARG 63 4.926 -1.356 -8.415 511 HG2 ARG 63 HG2 ARG 63 2.034 -1.230 -9.153 512 HG3 ARG 63 HG3 ARG 63 3.203 -0.189 -9.970 513 HD2 ARG 63 HD2 ARG 63 4.499 -2.133 -10.629 514 HD3 ARG 63 HD3 ARG 63 3.394 -3.186 -9.744 515 HE ARG 63 HE ARG 63 1.984 -3.127 -11.522 516 HH11 ARG 63 HH11 ARG 63 4.165 -0.394 -11.822 517 HH12 ARG 63 HH12 ARG 63 3.573 0.078 -13.369 518 HH21 ARG 63 HH21 ARG 63 1.201 -2.508 -13.602 519 HH22 ARG 63 HH22 ARG 63 1.879 -1.123 -14.377 520 H PHE 64 H PHE 64 2.761 0.204 -5.913 521 HA PHE 64 HA PHE 64 -0.027 -0.634 -5.533 522 HB2 PHE 64 HB2 PHE 64 1.792 0.965 -3.738 523 HB3 PHE 64 HB3 PHE 64 0.043 1.015 -3.569 524 HD1 PHE 64 HD1 PHE 64 2.667 -1.624 -3.983 525 HD2 PHE 64 HD2 PHE 64 -0.787 -0.286 -1.892 526 HE1 PHE 64 HE1 PHE 64 2.758 -3.620 -2.559 527 HE2 PHE 64 HE2 PHE 64 -0.696 -2.287 -0.466 528 HZ PHE 64 HZ PHE 64 1.073 -3.951 -0.799 529 H LEU 65 H LEU 65 -1.207 0.396 -6.945 530 HA LEU 65 HA LEU 65 -0.627 3.245 -7.435 531 HB2 LEU 65 HB2 LEU 65 -2.012 1.381 -9.324 532 HB3 LEU 65 HB3 LEU 65 -1.490 3.016 -9.650 533 HG LEU 65 HG LEU 65 0.315 0.627 -9.243 534 HD11 LEU 65 HD11 LEU 65 -0.264 2.280 -11.692 535 HD12 LEU 65 HD12 LEU 65 -0.836 0.638 -11.388 536 HD13 LEU 65 HD13 LEU 65 0.890 0.951 -11.584 537 HD21 LEU 65 HD21 LEU 65 1.020 3.492 -9.872 538 HD22 LEU 65 HD22 LEU 65 2.148 2.134 -9.797 539 HD23 LEU 65 HD23 LEU 65 1.313 2.670 -8.339 540 H PHE 66 H PHE 66 -2.143 4.595 -6.973 541 HA PHE 66 HA PHE 66 -4.793 3.547 -6.285 542 HB2 PHE 66 HB2 PHE 66 -3.909 4.791 -4.462 543 HB3 PHE 66 HB3 PHE 66 -3.384 6.101 -5.503 544 HD1 PHE 66 HD1 PHE 66 -6.674 4.359 -5.390 545 HD2 PHE 66 HD2 PHE 66 -4.515 7.962 -4.727 546 HE1 PHE 66 HE1 PHE 66 -8.774 5.533 -5.004 547 HE2 PHE 66 HE2 PHE 66 -6.628 9.153 -4.323 548 HZ PHE 66 HZ PHE 66 -8.766 7.939 -4.459 549 H GLU 67 H GLU 67 -5.931 3.475 -8.105 550 HA GLU 67 HA GLU 67 -6.823 4.040 -10.105 551 HB2 GLU 67 HB2 GLU 67 -8.176 6.078 -10.057 552 HB3 GLU 67 HB3 GLU 67 -8.254 5.259 -8.517 553 HG2 GLU 67 HG2 GLU 67 -6.855 6.868 -7.488 554 HG3 GLU 67 HG3 GLU 67 -6.423 7.563 -9.044 555 H GLY 68 H GLY 68 -4.021 4.301 -10.117 556 HA2 GLY 68 HA2 GLY 68 -2.763 4.871 -12.104 557 HA3 GLY 68 HA3 GLY 68 -3.712 6.342 -12.217 558 H GLN 69 H GLN 69 -3.093 6.209 -9.053 559 HA GLN 69 HA GLN 69 -0.923 8.107 -9.218 560 HB2 GLN 69 HB2 GLN 69 -2.651 7.041 -7.007 561 HB3 GLN 69 HB3 GLN 69 -1.234 8.023 -6.650 562 HG2 GLN 69 HG2 GLN 69 -3.285 9.007 -8.573 563 HG3 GLN 69 HG3 GLN 69 -3.597 9.082 -6.839 564 HE21 GLN 69 HE21 GLN 69 -1.537 10.209 -9.426 565 HE22 GLN 69 HE22 GLN 69 -0.895 11.558 -8.556 566 H ARG 70 H ARG 70 1.176 7.646 -8.932 567 HA ARG 70 HA ARG 70 1.991 4.960 -8.355 568 HB2 ARG 70 HB2 ARG 70 3.114 6.296 -10.066 569 HB3 ARG 70 HB3 ARG 70 3.569 7.483 -8.858 570 HG2 ARG 70 HG2 ARG 70 5.477 6.120 -9.351 571 HG3 ARG 70 HG3 ARG 70 4.921 5.739 -7.720 572 HD2 ARG 70 HD2 ARG 70 3.837 3.734 -8.508 573 HD3 ARG 70 HD3 ARG 70 4.216 4.137 -10.178 574 HE ARG 70 HE ARG 70 6.205 3.377 -8.130 575 HH11 ARG 70 HH11 ARG 70 5.197 3.583 -11.495 576 HH12 ARG 70 HH12 ARG 70 6.547 2.686 -12.086 577 HH21 ARG 70 HH21 ARG 70 8.006 2.187 -8.928 578 HH22 ARG 70 HH22 ARG 70 8.150 1.894 -10.628 579 H ILE 71 H ILE 71 2.047 4.274 -6.295 580 HA ILE 71 HA ILE 71 2.930 6.168 -4.230 581 HB ILE 71 HB ILE 71 1.381 3.575 -3.959 582 HG12 ILE 71 HG12 ILE 71 -0.217 5.209 -2.721 583 HG13 ILE 71 HG13 ILE 71 0.679 6.473 -3.551 584 HG21 ILE 71 HG21 ILE 71 3.013 3.750 -2.154 585 HG22 ILE 71 HG22 ILE 71 1.369 3.946 -1.548 586 HG23 ILE 71 HG23 ILE 71 2.409 5.359 -1.752 587 HD11 ILE 71 HD11 ILE 71 -0.836 4.230 -4.862 588 HD12 ILE 71 HD12 ILE 71 0.052 5.502 -5.699 589 HD13 ILE 71 HD13 ILE 71 -1.362 5.907 -4.729 590 H ALA 72 H ALA 72 5.162 6.010 -4.340 591 HA ALA 72 HA ALA 72 6.270 3.306 -4.231 592 HB1 ALA 72 HB1 ALA 72 7.173 4.798 -5.955 593 HB2 ALA 72 HB2 ALA 72 8.411 4.318 -4.795 594 HB3 ALA 72 HB3 ALA 72 7.691 5.925 -4.703 595 H ASP 73 H ASP 73 5.432 3.183 -2.062 596 HA ASP 73 HA ASP 73 5.612 3.098 0.202 597 HB2 ASP 73 HB2 ASP 73 8.551 3.056 -0.452 598 HB3 ASP 73 HB3 ASP 73 7.791 2.419 1.005 599 H ASN 74 H ASN 74 5.750 5.955 -0.864 600 HA ASN 74 HA ASN 74 6.543 7.077 1.691 601 HB2 ASN 74 HB2 ASN 74 8.071 8.694 0.903 602 HB3 ASN 74 HB3 ASN 74 8.558 7.195 0.128 603 HD21 ASN 74 HD21 ASN 74 8.237 6.954 -2.087 604 HD22 ASN 74 HD22 ASN 74 7.919 8.313 -3.111 605 H HIS 75 H HIS 75 4.581 7.091 -1.068 606 HA HIS 75 HA HIS 75 3.622 9.717 -1.021 607 HB2 HIS 75 HB2 HIS 75 3.133 7.434 -2.534 608 HB3 HIS 75 HB3 HIS 75 1.596 7.764 -1.739 609 HD1 HIS 75 HD1 HIS 75 3.036 8.384 -4.820 610 HD2 HIS 75 HD2 HIS 75 1.230 10.874 -2.026 611 HE1 HIS 75 HE1 HIS 75 2.346 10.416 -6.086 612 HE2 HIS 75 HE2 HIS 75 1.336 11.959 -4.380 613 H THR 76 H THR 76 1.789 10.584 -0.075 614 HA THR 76 HA THR 76 0.945 9.145 2.329 615 HB THR 76 HB THR 76 0.378 11.384 3.261 616 HG1 THR 76 HG1 THR 76 1.950 12.806 1.565 617 HG21 THR 76 HG21 THR 76 2.652 12.017 3.757 618 HG22 THR 76 HG22 THR 76 3.238 11.143 2.340 619 HG23 THR 76 HG23 THR 76 2.551 10.254 3.701 620 HA PRO 77 HA PRO 77 -3.164 8.858 0.928 621 HB2 PRO 77 HB2 PRO 77 -4.492 9.458 3.309 622 HB3 PRO 77 HB3 PRO 77 -3.915 7.863 2.829 623 HG2 PRO 77 HG2 PRO 77 -2.756 9.806 4.723 624 HG3 PRO 77 HG3 PRO 77 -2.628 8.041 4.699 625 HD2 PRO 77 HD2 PRO 77 -0.631 9.768 3.965 626 HD3 PRO 77 HD3 PRO 77 -0.763 8.094 3.386 627 H LYS 78 H LYS 78 -2.232 11.741 2.681 628 HA LYS 78 HA LYS 78 -4.582 13.228 1.980 629 HB2 LYS 78 HB2 LYS 78 -3.414 15.145 2.938 630 HB3 LYS 78 HB3 LYS 78 -3.238 13.749 3.981 631 HG2 LYS 78 HG2 LYS 78 -1.014 13.571 3.619 632 HG3 LYS 78 HG3 LYS 78 -1.118 14.222 1.982 633 HD2 LYS 78 HD2 LYS 78 -1.466 16.448 2.862 634 HD3 LYS 78 HD3 LYS 78 -1.447 15.821 4.511 635 HE2 LYS 78 HE2 LYS 78 0.835 15.111 4.254 636 HE3 LYS 78 HE3 LYS 78 0.832 15.608 2.564 637 HZ1 LYS 78 HZ1 LYS 78 0.552 17.881 3.216 638 HZ2 LYS 78 HZ2 LYS 78 1.884 17.261 4.041 639 HZ3 LYS 78 HZ3 LYS 78 0.410 17.465 4.845 640 H GLU 79 H GLU 79 -1.393 12.733 0.662 641 HA GLU 79 HA GLU 79 -1.512 14.897 -1.207 642 HB2 GLU 79 HB2 GLU 79 0.592 13.966 -0.246 643 HB3 GLU 79 HB3 GLU 79 0.289 12.480 -1.127 644 HG2 GLU 79 HG2 GLU 79 1.862 13.692 -2.391 645 HG3 GLU 79 HG3 GLU 79 0.318 13.844 -3.228 646 H LEU 80 H LEU 80 -2.362 11.545 -1.131 647 HA LEU 80 HA LEU 80 -2.588 11.207 -3.971 648 HB2 LEU 80 HB2 LEU 80 -3.573 9.574 -1.655 649 HB3 LEU 80 HB3 LEU 80 -3.688 9.083 -3.332 650 HG LEU 80 HG LEU 80 -1.054 9.719 -2.051 651 HD11 LEU 80 HD11 LEU 80 -0.795 7.362 -1.622 652 HD12 LEU 80 HD12 LEU 80 -2.432 7.055 -2.216 653 HD13 LEU 80 HD13 LEU 80 -2.187 8.004 -0.747 654 HD21 LEU 80 HD21 LEU 80 -1.853 8.051 -4.430 655 HD22 LEU 80 HD22 LEU 80 -0.208 8.324 -3.855 656 HD23 LEU 80 HD23 LEU 80 -1.153 9.667 -4.491 657 H GLY 81 H GLY 81 -4.591 12.639 -1.597 658 HA2 GLY 81 HA2 GLY 81 -6.672 13.613 -1.932 659 HA3 GLY 81 HA3 GLY 81 -6.647 12.996 -3.577 660 H MET 82 H MET 82 -6.199 10.807 -0.846 661 HA MET 82 HA MET 82 -8.703 9.596 -1.739 662 HB2 MET 82 HB2 MET 82 -7.920 7.438 -0.995 663 HB3 MET 82 HB3 MET 82 -6.772 8.147 -2.110 664 HG2 MET 82 HG2 MET 82 -5.382 8.794 -0.156 665 HG3 MET 82 HG3 MET 82 -6.505 7.895 0.871 666 HE1 MET 82 HE1 MET 82 -4.938 6.157 1.838 667 HE2 MET 82 HE2 MET 82 -3.536 6.949 1.108 668 HE3 MET 82 HE3 MET 82 -3.762 5.211 0.928 669 H GLU 83 H GLU 83 -9.976 8.429 -0.105 670 HA GLU 83 HA GLU 83 -10.048 10.026 2.391 671 HB2 GLU 83 HB2 GLU 83 -11.814 10.607 0.702 672 HB3 GLU 83 HB3 GLU 83 -12.387 8.951 0.783 673 HG2 GLU 83 HG2 GLU 83 -13.777 10.534 2.045 674 HG3 GLU 83 HG3 GLU 83 -13.108 9.258 3.056 675 H GLU 84 H GLU 84 -11.680 8.790 3.985 676 HA GLU 84 HA GLU 84 -10.498 6.333 4.680 677 HB2 GLU 84 HB2 GLU 84 -12.316 6.106 6.313 678 HB3 GLU 84 HB3 GLU 84 -11.622 7.717 6.344 679 HG2 GLU 84 HG2 GLU 84 -13.507 8.583 5.089 680 HG3 GLU 84 HG3 GLU 84 -14.193 6.963 4.973 681 H GLU 85 H GLU 85 -11.217 4.160 4.472 682 HA GLU 85 HA GLU 85 -12.079 2.416 3.510 683 HB2 GLU 85 HB2 GLU 85 -14.230 3.556 4.420 684 HB3 GLU 85 HB3 GLU 85 -14.540 3.949 2.736 685 HG2 GLU 85 HG2 GLU 85 -14.553 1.631 2.130 686 HG3 GLU 85 HG3 GLU 85 -14.055 1.161 3.754 687 H ASP 86 H ASP 86 -10.444 4.230 2.019 688 HA ASP 86 HA ASP 86 -11.535 4.179 -0.663 689 HB2 ASP 86 HB2 ASP 86 -9.813 5.857 0.605 690 HB3 ASP 86 HB3 ASP 86 -8.703 4.830 -0.295 691 H VAL 87 H VAL 87 -10.203 3.199 -2.436 692 HA VAL 87 HA VAL 87 -8.933 0.756 -1.446 693 HB VAL 87 HB VAL 87 -11.095 0.295 -2.507 694 HG11 VAL 87 HG11 VAL 87 -9.911 1.556 -4.972 695 HG12 VAL 87 HG12 VAL 87 -11.234 2.201 -3.998 696 HG13 VAL 87 HG13 VAL 87 -11.447 0.696 -4.891 697 HG21 VAL 87 HG21 VAL 87 -8.744 -0.622 -4.166 698 HG22 VAL 87 HG22 VAL 87 -10.344 -1.364 -4.168 699 HG23 VAL 87 HG23 VAL 87 -9.360 -1.392 -2.704 700 H ILE 88 H ILE 88 -7.094 0.030 -2.466 701 HA ILE 88 HA ILE 88 -5.869 1.848 -4.429 702 HB ILE 88 HB ILE 88 -4.373 0.185 -2.385 703 HG12 ILE 88 HG12 ILE 88 -5.672 2.052 -1.324 704 HG13 ILE 88 HG13 ILE 88 -3.931 2.194 -1.124 705 HG21 ILE 88 HG21 ILE 88 -3.403 2.357 -4.229 706 HG22 ILE 88 HG22 ILE 88 -3.176 0.628 -4.468 707 HG23 ILE 88 HG23 ILE 88 -2.413 1.434 -3.092 708 HD11 ILE 88 HD11 ILE 88 -3.832 3.868 -2.825 709 HD12 ILE 88 HD12 ILE 88 -5.045 4.324 -1.626 710 HD13 ILE 88 HD13 ILE 88 -5.546 3.666 -3.185 711 H GLU 89 H GLU 89 -4.660 0.780 -6.077 712 HA GLU 89 HA GLU 89 -5.470 -2.024 -6.396 713 HB2 GLU 89 HB2 GLU 89 -4.640 -0.251 -8.640 714 HB3 GLU 89 HB3 GLU 89 -5.710 -1.648 -8.668 715 HG2 GLU 89 HG2 GLU 89 -7.407 -0.342 -7.466 716 HG3 GLU 89 HG3 GLU 89 -6.326 1.041 -7.471 717 H VAL 90 H VAL 90 -3.823 -3.361 -6.017 718 HA VAL 90 HA VAL 90 -1.104 -2.512 -6.521 719 HB VAL 90 HB VAL 90 -2.184 -5.029 -5.240 720 HG11 VAL 90 HG11 VAL 90 0.114 -5.410 -4.499 721 HG12 VAL 90 HG12 VAL 90 0.643 -4.019 -5.447 722 HG13 VAL 90 HG13 VAL 90 -0.022 -5.438 -6.257 723 HG21 VAL 90 HG21 VAL 90 -1.422 -4.038 -3.160 724 HG22 VAL 90 HG22 VAL 90 -2.612 -3.001 -3.958 725 HG23 VAL 90 HG23 VAL 90 -0.894 -2.602 -4.037 726 H TYR 91 H TYR 91 -0.335 -2.785 -8.458 727 HA TYR 91 HA TYR 91 -1.351 -4.938 -10.165 728 HB2 TYR 91 HB2 TYR 91 0.330 -2.513 -10.792 729 HB3 TYR 91 HB3 TYR 91 -0.150 -3.720 -11.975 730 HD1 TYR 91 HD1 TYR 91 -1.435 -1.164 -9.633 731 HD2 TYR 91 HD2 TYR 91 -2.284 -3.591 -13.014 732 HE1 TYR 91 HE1 TYR 91 -3.489 0.096 -10.008 733 HE2 TYR 91 HE2 TYR 91 -4.360 -2.331 -13.401 734 HH TYR 91 HH TYR 91 -5.131 0.554 -11.545 735 H GLN 92 H GLN 92 -0.005 -6.450 -11.081 736 HA GLN 92 HA GLN 92 2.387 -6.992 -9.557 737 HB2 GLN 92 HB2 GLN 92 0.542 -8.623 -10.387 738 HB3 GLN 92 HB3 GLN 92 1.476 -8.643 -11.872 739 HG2 GLN 92 HG2 GLN 92 2.557 -9.352 -9.148 740 HG3 GLN 92 HG3 GLN 92 1.969 -10.522 -10.321 741 HE21 GLN 92 HE21 GLN 92 4.581 -10.218 -9.110 742 HE22 GLN 92 HE22 GLN 92 5.706 -10.023 -10.408 743 H GLU 93 H GLU 93 4.284 -6.350 -10.105 744 HA GLU 93 HA GLU 93 5.545 -6.618 -12.524 745 HB2 GLU 93 HB2 GLU 93 4.058 -4.839 -13.353 746 HB3 GLU 93 HB3 GLU 93 4.581 -3.773 -12.058 747 HG2 GLU 93 HG2 GLU 93 6.858 -3.812 -12.970 748 HG3 GLU 93 HG3 GLU 93 6.315 -4.879 -14.261 749 H GLN 94 H GLN 94 7.618 -6.502 -12.090 750 HA GLN 94 HA GLN 94 8.421 -6.094 -9.386 751 HB2 GLN 94 HB2 GLN 94 10.738 -6.479 -10.193 752 HB3 GLN 94 HB3 GLN 94 9.614 -7.739 -10.672 753 HG2 GLN 94 HG2 GLN 94 9.502 -6.829 -12.906 754 HG3 GLN 94 HG3 GLN 94 10.538 -5.484 -12.436 755 HE21 GLN 94 HE21 GLN 94 12.059 -6.018 -13.984 756 HE22 GLN 94 HE22 GLN 94 13.114 -7.374 -13.816 757 H THR 95 H THR 95 9.449 -4.368 -8.381 758 HA THR 95 HA THR 95 9.891 -2.013 -10.045 759 HB THR 95 HB THR 95 7.790 -1.768 -8.733 760 HG1 THR 95 HG1 THR 95 10.021 -0.158 -8.344 761 HG21 THR 95 HG21 THR 95 7.867 -1.681 -6.277 762 HG22 THR 95 HG22 THR 95 9.565 -2.155 -6.315 763 HG23 THR 95 HG23 THR 95 8.326 -3.274 -6.880 764 H GLY 96 H GLY 96 11.300 -4.366 -8.546 765 HA2 GLY 96 HA2 GLY 96 13.813 -3.406 -8.231 766 HA3 GLY 96 HA3 GLY 96 13.053 -3.076 -6.676 767 H GLY 97 H GLY 97 15.005 -4.675 -6.290 768 HA2 GLY 97 HA2 GLY 97 14.778 -6.744 -4.966 769 HA3 GLY 97 HA3 GLY 97 13.840 -7.385 -6.310 Start of MODEL 3 1 H MET 1 H MET 1 -37.262 0.302 43.632 2 HA MET 1 HA MET 1 -35.881 1.523 42.154 3 HB2 MET 1 HB2 MET 1 -34.539 2.445 44.700 4 HB3 MET 1 HB3 MET 1 -33.816 2.612 43.108 5 HG2 MET 1 HG2 MET 1 -35.744 3.988 42.417 6 HG3 MET 1 HG3 MET 1 -36.375 3.875 44.059 7 HE1 MET 1 HE1 MET 1 -32.579 4.249 42.953 8 HE2 MET 1 HE2 MET 1 -32.426 6.005 42.935 9 HE3 MET 1 HE3 MET 1 -33.482 5.201 41.775 10 H SER 2 H SER 2 -34.111 0.486 41.257 11 HA SER 2 HA SER 2 -32.550 -1.362 42.844 12 HB2 SER 2 HB2 SER 2 -34.274 -2.356 40.553 13 HB3 SER 2 HB3 SER 2 -33.063 -3.311 41.409 14 HG SER 2 HG SER 2 -34.648 -2.251 43.233 15 H ASP 3 H ASP 3 -32.583 1.016 40.779 16 HA ASP 3 HA ASP 3 -30.212 0.144 39.325 17 HB2 ASP 3 HB2 ASP 3 -32.642 1.430 38.050 18 HB3 ASP 3 HB3 ASP 3 -31.079 1.281 37.264 19 H GLN 4 H GLN 4 -28.670 1.594 39.842 20 HA GLN 4 HA GLN 4 -29.010 4.057 41.007 21 HB2 GLN 4 HB2 GLN 4 -26.685 4.489 40.352 22 HB3 GLN 4 HB3 GLN 4 -26.895 2.860 40.981 23 HG2 GLN 4 HG2 GLN 4 -26.886 1.955 38.741 24 HG3 GLN 4 HG3 GLN 4 -26.787 3.576 38.062 25 HE21 GLN 4 HE21 GLN 4 -24.899 3.087 36.992 26 HE22 GLN 4 HE22 GLN 4 -23.383 2.928 37.805 27 H GLU 5 H GLU 5 -27.910 6.078 39.919 28 HA GLU 5 HA GLU 5 -29.715 7.085 37.998 29 HB2 GLU 5 HB2 GLU 5 -28.313 9.084 38.032 30 HB3 GLU 5 HB3 GLU 5 -28.611 8.505 39.664 31 HG2 GLU 5 HG2 GLU 5 -26.387 7.397 39.614 32 HG3 GLU 5 HG3 GLU 5 -26.113 8.142 38.040 33 H ALA 6 H ALA 6 -29.180 7.914 35.904 34 HA ALA 6 HA ALA 6 -27.237 6.242 34.502 35 HB1 ALA 6 HB1 ALA 6 -29.559 7.861 33.484 36 HB2 ALA 6 HB2 ALA 6 -29.502 6.108 33.672 37 HB3 ALA 6 HB3 ALA 6 -28.474 6.904 32.476 38 H LYS 7 H LYS 7 -26.466 7.527 32.409 39 HA LYS 7 HA LYS 7 -24.622 9.412 33.238 40 HB2 LYS 7 HB2 LYS 7 -24.437 9.968 30.743 41 HB3 LYS 7 HB3 LYS 7 -24.122 8.316 31.235 42 HG2 LYS 7 HG2 LYS 7 -25.397 8.104 29.290 43 HG3 LYS 7 HG3 LYS 7 -26.555 7.838 30.589 44 HD2 LYS 7 HD2 LYS 7 -27.557 9.253 28.917 45 HD3 LYS 7 HD3 LYS 7 -27.263 10.212 30.367 46 HE2 LYS 7 HE2 LYS 7 -26.666 11.422 28.307 47 HE3 LYS 7 HE3 LYS 7 -25.280 11.183 29.362 48 HZ1 LYS 7 HZ1 LYS 7 -25.887 9.402 27.070 49 HZ2 LYS 7 HZ2 LYS 7 -24.443 9.492 27.961 50 HZ3 LYS 7 HZ3 LYS 7 -24.895 10.758 26.950 51 HA PRO 8 HA PRO 8 -26.673 13.301 33.589 52 HB2 PRO 8 HB2 PRO 8 -24.663 14.980 32.796 53 HB3 PRO 8 HB3 PRO 8 -24.699 14.186 34.374 54 HG2 PRO 8 HG2 PRO 8 -23.212 13.415 31.895 55 HG3 PRO 8 HG3 PRO 8 -22.654 13.425 33.579 56 HD2 PRO 8 HD2 PRO 8 -23.406 11.159 32.340 57 HD3 PRO 8 HD3 PRO 8 -23.705 11.428 34.071 58 H SER 9 H SER 9 -26.224 15.597 32.018 59 HA SER 9 HA SER 9 -27.661 14.775 29.630 60 HB2 SER 9 HB2 SER 9 -27.145 17.540 30.733 61 HB3 SER 9 HB3 SER 9 -28.211 17.142 29.386 62 HG SER 9 HG SER 9 -28.902 15.591 31.408 63 H THR 10 H THR 10 -24.559 14.721 30.159 64 HA THR 10 HA THR 10 -23.844 15.063 27.473 65 HB THR 10 HB THR 10 -24.031 17.498 28.256 66 HG1 THR 10 HG1 THR 10 -22.334 18.041 26.964 67 HG21 THR 10 HG21 THR 10 -21.499 16.709 29.683 68 HG22 THR 10 HG22 THR 10 -23.000 17.233 30.443 69 HG23 THR 10 HG23 THR 10 -22.063 18.369 29.466 70 H GLU 11 H GLU 11 -21.728 14.367 27.057 71 HA GLU 11 HA GLU 11 -19.844 13.870 29.130 72 HB2 GLU 11 HB2 GLU 11 -19.707 11.405 28.771 73 HB3 GLU 11 HB3 GLU 11 -21.189 11.915 29.561 74 HG2 GLU 11 HG2 GLU 11 -22.408 11.688 27.502 75 HG3 GLU 11 HG3 GLU 11 -20.928 11.267 26.637 76 H ASP 12 H ASP 12 -17.846 12.806 28.197 77 HA ASP 12 HA ASP 12 -17.337 14.162 25.701 78 HB2 ASP 12 HB2 ASP 12 -15.763 13.910 27.789 79 HB3 ASP 12 HB3 ASP 12 -15.311 12.398 27.002 80 H LEU 13 H LEU 13 -15.596 12.741 24.282 81 HA LEU 13 HA LEU 13 -17.315 10.836 23.027 82 HB2 LEU 13 HB2 LEU 13 -14.525 11.741 22.392 83 HB3 LEU 13 HB3 LEU 13 -15.410 10.578 21.428 84 HG LEU 13 HG LEU 13 -16.229 13.435 21.906 85 HD11 LEU 13 HD11 LEU 13 -14.257 13.250 20.496 86 HD12 LEU 13 HD12 LEU 13 -15.659 13.732 19.537 87 HD13 LEU 13 HD13 LEU 13 -15.081 12.063 19.485 88 HD21 LEU 13 HD21 LEU 13 -17.902 12.986 20.152 89 HD22 LEU 13 HD22 LEU 13 -18.166 12.006 21.592 90 HD23 LEU 13 HD23 LEU 13 -17.431 11.287 20.159 91 H GLY 14 H GLY 14 -13.934 10.514 24.333 92 HA2 GLY 14 HA2 GLY 14 -12.922 8.690 25.208 93 HA3 GLY 14 HA3 GLY 14 -14.493 7.905 25.293 94 H ASP 15 H ASP 15 -15.286 7.774 22.780 95 HA ASP 15 HA ASP 15 -13.900 5.542 21.740 96 HB2 ASP 15 HB2 ASP 15 -16.307 5.913 21.408 97 HB3 ASP 15 HB3 ASP 15 -15.947 7.304 20.387 98 H LYS 16 H LYS 16 -14.422 8.672 20.129 99 HA LYS 16 HA LYS 16 -12.181 8.172 18.387 100 HB2 LYS 16 HB2 LYS 16 -14.131 10.457 18.606 101 HB3 LYS 16 HB3 LYS 16 -12.785 10.455 17.476 102 HG2 LYS 16 HG2 LYS 16 -13.669 8.453 16.412 103 HG3 LYS 16 HG3 LYS 16 -15.014 8.436 17.556 104 HD2 LYS 16 HD2 LYS 16 -15.837 10.518 16.709 105 HD3 LYS 16 HD3 LYS 16 -14.411 10.725 15.691 106 HE2 LYS 16 HE2 LYS 16 -16.470 8.532 15.431 107 HE3 LYS 16 HE3 LYS 16 -16.347 9.955 14.396 108 HZ1 LYS 16 HZ1 LYS 16 -14.298 7.814 14.671 109 HZ2 LYS 16 HZ2 LYS 16 -14.136 9.190 13.709 110 HZ3 LYS 16 HZ3 LYS 16 -15.325 8.045 13.352 111 H LYS 17 H LYS 17 -10.241 9.191 18.410 112 HA LYS 17 HA LYS 17 -9.706 10.805 20.779 113 HB2 LYS 17 HB2 LYS 17 -8.574 8.599 20.649 114 HB3 LYS 17 HB3 LYS 17 -7.808 9.103 19.153 115 HG2 LYS 17 HG2 LYS 17 -6.547 10.790 20.296 116 HG3 LYS 17 HG3 LYS 17 -7.419 10.483 21.800 117 HD2 LYS 17 HD2 LYS 17 -5.797 8.409 20.367 118 HD3 LYS 17 HD3 LYS 17 -5.120 9.456 21.622 119 HE2 LYS 17 HE2 LYS 17 -7.471 7.600 21.958 120 HE3 LYS 17 HE3 LYS 17 -5.827 7.256 22.493 121 HZ1 LYS 17 HZ1 LYS 17 -7.565 9.461 23.468 122 HZ2 LYS 17 HZ2 LYS 17 -5.974 9.178 23.971 123 HZ3 LYS 17 HZ3 LYS 17 -7.182 8.044 24.303 124 H GLU 18 H GLU 18 -7.707 12.203 20.389 125 HA GLU 18 HA GLU 18 -8.256 14.264 18.606 126 HB2 GLU 18 HB2 GLU 18 -5.563 13.576 19.750 127 HB3 GLU 18 HB3 GLU 18 -6.163 15.167 19.300 128 HG2 GLU 18 HG2 GLU 18 -7.519 15.327 21.163 129 HG3 GLU 18 HG3 GLU 18 -7.553 13.582 21.412 130 H GLY 19 H GLY 19 -5.970 11.576 18.364 131 HA2 GLY 19 HA2 GLY 19 -4.878 12.421 15.892 132 HA3 GLY 19 HA3 GLY 19 -4.692 10.829 16.619 133 H GLU 20 H GLU 20 -5.754 12.307 13.964 134 HA GLU 20 HA GLU 20 -8.180 10.775 13.598 135 HB2 GLU 20 HB2 GLU 20 -6.766 12.694 11.756 136 HB3 GLU 20 HB3 GLU 20 -8.322 11.942 11.440 137 HG2 GLU 20 HG2 GLU 20 -9.303 13.081 13.313 138 HG3 GLU 20 HG3 GLU 20 -7.738 13.760 13.760 139 H TYR 21 H TYR 21 -8.119 8.800 12.892 140 HA TYR 21 HA TYR 21 -6.082 8.073 10.917 141 HB2 TYR 21 HB2 TYR 21 -7.213 6.293 13.089 142 HB3 TYR 21 HB3 TYR 21 -6.081 5.809 11.830 143 HD1 TYR 21 HD1 TYR 21 -3.726 6.448 11.963 144 HD2 TYR 21 HD2 TYR 21 -6.478 7.643 14.980 145 HE1 TYR 21 HE1 TYR 21 -1.860 7.027 13.427 146 HE2 TYR 21 HE2 TYR 21 -4.608 8.232 16.453 147 HH TYR 21 HH TYR 21 -2.269 7.733 16.751 148 H ILE 22 H ILE 22 -6.813 6.895 9.171 149 HA ILE 22 HA ILE 22 -9.713 6.429 9.096 150 HB ILE 22 HB ILE 22 -9.503 6.749 6.633 151 HG12 ILE 22 HG12 ILE 22 -6.961 8.229 7.106 152 HG13 ILE 22 HG13 ILE 22 -6.898 6.482 6.896 153 HG21 ILE 22 HG21 ILE 22 -9.468 9.209 6.739 154 HG22 ILE 22 HG22 ILE 22 -8.816 9.115 8.376 155 HG23 ILE 22 HG23 ILE 22 -10.432 8.495 8.033 156 HD11 ILE 22 HD11 ILE 22 -6.529 7.615 4.807 157 HD12 ILE 22 HD12 ILE 22 -8.078 8.455 4.975 158 HD13 ILE 22 HD13 ILE 22 -8.039 6.697 4.779 159 H LYS 23 H LYS 23 -10.382 4.670 7.754 160 HA LYS 23 HA LYS 23 -8.368 2.534 7.632 161 HB2 LYS 23 HB2 LYS 23 -10.223 0.961 7.657 162 HB3 LYS 23 HB3 LYS 23 -10.352 2.055 9.028 163 HG2 LYS 23 HG2 LYS 23 -12.122 3.255 8.026 164 HG3 LYS 23 HG3 LYS 23 -11.849 2.487 6.461 165 HD2 LYS 23 HD2 LYS 23 -12.454 0.316 7.495 166 HD3 LYS 23 HD3 LYS 23 -12.877 1.185 8.974 167 HE2 LYS 23 HE2 LYS 23 -14.563 2.440 7.787 168 HE3 LYS 23 HE3 LYS 23 -14.084 1.689 6.265 169 HZ1 LYS 23 HZ1 LYS 23 -16.082 0.687 7.242 170 HZ2 LYS 23 HZ2 LYS 23 -15.186 0.209 8.592 171 HZ3 LYS 23 HZ3 LYS 23 -14.829 -0.430 7.074 172 H LEU 24 H LEU 24 -8.028 1.437 5.750 173 HA LEU 24 HA LEU 24 -9.615 2.165 3.421 174 HB2 LEU 24 HB2 LEU 24 -6.606 2.178 3.298 175 HB3 LEU 24 HB3 LEU 24 -7.733 2.649 2.054 176 HG LEU 24 HG LEU 24 -8.418 4.481 3.813 177 HD11 LEU 24 HD11 LEU 24 -5.578 3.840 4.584 178 HD12 LEU 24 HD12 LEU 24 -7.003 3.660 5.606 179 HD13 LEU 24 HD13 LEU 24 -6.486 5.264 5.088 180 HD21 LEU 24 HD21 LEU 24 -6.805 5.975 2.772 181 HD22 LEU 24 HD22 LEU 24 -7.548 4.894 1.594 182 HD23 LEU 24 HD23 LEU 24 -5.910 4.583 2.166 183 H LYS 25 H LYS 25 -8.479 0.810 1.464 184 HA LYS 25 HA LYS 25 -7.717 -1.825 2.354 185 HB2 LYS 25 HB2 LYS 25 -10.163 -1.953 2.498 186 HB3 LYS 25 HB3 LYS 25 -10.298 -1.368 0.851 187 HG2 LYS 25 HG2 LYS 25 -8.704 -3.831 1.266 188 HG3 LYS 25 HG3 LYS 25 -10.449 -3.954 1.491 189 HD2 LYS 25 HD2 LYS 25 -9.187 -2.745 -0.963 190 HD3 LYS 25 HD3 LYS 25 -9.582 -4.459 -0.828 191 HE2 LYS 25 HE2 LYS 25 -11.565 -2.236 -0.436 192 HE3 LYS 25 HE3 LYS 25 -11.318 -3.066 -1.972 193 HZ1 LYS 25 HZ1 LYS 25 -12.354 -4.191 0.568 194 HZ2 LYS 25 HZ2 LYS 25 -11.818 -5.180 -0.693 195 HZ3 LYS 25 HZ3 LYS 25 -13.129 -4.135 -0.937 196 H VAL 26 H VAL 26 -6.762 -3.034 0.732 197 HA VAL 26 HA VAL 26 -6.604 -1.806 -1.925 198 HB VAL 26 HB VAL 26 -4.266 -1.725 -2.109 199 HG11 VAL 26 HG11 VAL 26 -3.445 -0.385 -0.257 200 HG12 VAL 26 HG12 VAL 26 -4.787 -0.941 0.747 201 HG13 VAL 26 HG13 VAL 26 -5.104 0.063 -0.661 202 HG21 VAL 26 HG21 VAL 26 -3.866 -3.955 -1.144 203 HG22 VAL 26 HG22 VAL 26 -3.971 -3.228 0.463 204 HG23 VAL 26 HG23 VAL 26 -2.684 -2.748 -0.640 205 H ILE 27 H ILE 27 -6.338 -3.229 -3.600 206 HA ILE 27 HA ILE 27 -6.357 -6.088 -2.847 207 HB ILE 27 HB ILE 27 -7.817 -4.783 -5.154 208 HG12 ILE 27 HG12 ILE 27 -9.051 -6.095 -2.761 209 HG13 ILE 27 HG13 ILE 27 -8.641 -4.381 -2.757 210 HG21 ILE 27 HG21 ILE 27 -7.126 -7.070 -5.654 211 HG22 ILE 27 HG22 ILE 27 -8.874 -6.985 -5.435 212 HG23 ILE 27 HG23 ILE 27 -7.855 -7.629 -4.147 213 HD11 ILE 27 HD11 ILE 27 -10.989 -4.773 -3.302 214 HD12 ILE 27 HD12 ILE 27 -10.505 -5.737 -4.699 215 HD13 ILE 27 HD13 ILE 27 -10.124 -4.012 -4.636 216 H GLY 28 H GLY 28 -5.146 -7.469 -4.072 217 HA2 GLY 28 HA2 GLY 28 -3.584 -6.229 -6.244 218 HA3 GLY 28 HA3 GLY 28 -2.834 -7.304 -5.066 219 H GLN 29 H GLN 29 -2.460 -7.971 -7.582 220 HA GLN 29 HA GLN 29 -4.457 -9.524 -8.834 221 HB2 GLN 29 HB2 GLN 29 -2.792 -10.210 -10.364 222 HB3 GLN 29 HB3 GLN 29 -2.375 -8.571 -9.895 223 HG2 GLN 29 HG2 GLN 29 -1.104 -11.071 -8.818 224 HG3 GLN 29 HG3 GLN 29 -0.410 -10.029 -10.056 225 HE21 GLN 29 HE21 GLN 29 -0.921 -10.548 -6.722 226 HE22 GLN 29 HE22 GLN 29 -0.033 -9.180 -6.141 227 H ASP 30 H ASP 30 -3.001 -10.120 -5.993 228 HA ASP 30 HA ASP 30 -2.660 -12.984 -6.247 229 HB2 ASP 30 HB2 ASP 30 -1.165 -11.640 -4.781 230 HB3 ASP 30 HB3 ASP 30 -2.551 -11.182 -3.806 231 H SER 31 H SER 31 -5.324 -11.022 -6.155 232 HA SER 31 HA SER 31 -7.466 -11.281 -5.695 233 HB2 SER 31 HB2 SER 31 -7.170 -13.601 -6.566 234 HB3 SER 31 HB3 SER 31 -6.791 -14.144 -4.933 235 HG SER 31 HG SER 31 -8.943 -13.118 -4.427 236 H SER 32 H SER 32 -5.244 -10.884 -3.595 237 HA SER 32 HA SER 32 -6.901 -11.303 -1.230 238 HB2 SER 32 HB2 SER 32 -3.927 -10.796 -1.488 239 HB3 SER 32 HB3 SER 32 -4.794 -11.006 0.037 240 HG SER 32 HG SER 32 -3.840 -12.877 -1.652 241 H GLU 33 H GLU 33 -6.616 -9.569 0.435 242 HA GLU 33 HA GLU 33 -6.072 -6.949 -0.561 243 HB2 GLU 33 HB2 GLU 33 -8.254 -5.998 -0.064 244 HB3 GLU 33 HB3 GLU 33 -8.400 -7.267 -1.268 245 HG2 GLU 33 HG2 GLU 33 -9.380 -8.761 0.285 246 HG3 GLU 33 HG3 GLU 33 -8.976 -7.713 1.647 247 H ILE 34 H ILE 34 -6.098 -5.382 1.174 248 HA ILE 34 HA ILE 34 -6.007 -6.605 3.839 249 HB ILE 34 HB ILE 34 -3.670 -6.476 2.990 250 HG12 ILE 34 HG12 ILE 34 -2.823 -4.886 4.907 251 HG13 ILE 34 HG13 ILE 34 -4.524 -4.866 5.360 252 HG21 ILE 34 HG21 ILE 34 -2.627 -4.210 2.825 253 HG22 ILE 34 HG22 ILE 34 -4.267 -3.550 2.781 254 HG23 ILE 34 HG23 ILE 34 -3.724 -4.669 1.528 255 HD11 ILE 34 HD11 ILE 34 -4.462 -7.339 5.476 256 HD12 ILE 34 HD12 ILE 34 -3.381 -6.544 6.623 257 HD13 ILE 34 HD13 ILE 34 -2.728 -7.263 5.152 258 H HIS 35 H HIS 35 -6.761 -5.336 5.448 259 HA HIS 35 HA HIS 35 -7.704 -2.651 4.697 260 HB2 HIS 35 HB2 HIS 35 -8.649 -4.500 6.914 261 HB3 HIS 35 HB3 HIS 35 -9.262 -2.878 6.626 262 HD1 HIS 35 HD1 HIS 35 -11.591 -4.221 6.455 263 HD2 HIS 35 HD2 HIS 35 -8.887 -4.815 3.358 264 HE1 HIS 35 HE1 HIS 35 -12.925 -5.218 4.573 265 HE2 HIS 35 HE2 HIS 35 -11.217 -5.791 2.813 266 H PHE 36 H PHE 36 -7.046 -0.938 5.965 267 HA PHE 36 HA PHE 36 -5.578 -1.488 8.403 268 HB2 PHE 36 HB2 PHE 36 -3.638 -0.018 7.555 269 HB3 PHE 36 HB3 PHE 36 -3.704 -1.685 7.003 270 HD1 PHE 36 HD1 PHE 36 -4.350 1.815 6.022 271 HD2 PHE 36 HD2 PHE 36 -3.941 -2.213 4.734 272 HE1 PHE 36 HE1 PHE 36 -4.287 2.572 3.686 273 HE2 PHE 36 HE2 PHE 36 -3.873 -1.468 2.407 274 HZ PHE 36 HZ PHE 36 -4.054 0.930 1.872 275 HH31 ALY 37 HH31 ALY 37 -9.211 5.067 16.592 276 HH32 ALY 37 HH32 ALY 37 -9.090 6.838 16.578 277 HH33 ALY 37 HH33 ALY 37 -7.669 5.832 16.237 278 HZ ALY 37 HZ ALY 37 -7.886 4.424 14.213 279 HE3 ALY 37 HE3 ALY 37 -10.506 3.933 13.496 280 HE2 ALY 37 HE2 ALY 37 -9.785 4.862 12.183 281 HD3 ALY 37 HD3 ALY 37 -8.561 2.340 13.287 282 HD2 ALY 37 HD2 ALY 37 -9.687 2.359 11.930 283 HG3 ALY 37 HG3 ALY 37 -8.164 3.797 10.670 284 HG2 ALY 37 HG2 ALY 37 -7.042 3.814 12.034 285 HB3 ALY 37 HB3 ALY 37 -6.506 1.557 11.774 286 HB2 ALY 37 HB2 ALY 37 -7.934 1.235 10.807 287 HCA ALY 37 HCA ALY 37 -6.916 2.603 8.966 288 H ALY 37 H ALY 37 -5.482 0.196 9.800 289 H VAL 38 H VAL 38 -5.373 3.889 8.233 290 HA VAL 38 HA VAL 38 -2.913 4.204 9.788 291 HB VAL 38 HB VAL 38 -2.000 5.348 7.800 292 HG11 VAL 38 HG11 VAL 38 -1.873 3.346 6.340 293 HG12 VAL 38 HG12 VAL 38 -3.123 2.596 7.336 294 HG13 VAL 38 HG13 VAL 38 -1.562 3.008 8.041 295 HG21 VAL 38 HG21 VAL 38 -4.058 6.229 6.856 296 HG22 VAL 38 HG22 VAL 38 -4.621 4.594 6.511 297 HG23 VAL 38 HG23 VAL 38 -3.215 5.239 5.665 298 H LYS 39 H LYS 39 -2.097 6.644 9.110 299 HA LYS 39 HA LYS 39 -4.011 8.286 10.605 300 HB2 LYS 39 HB2 LYS 39 -1.710 8.082 11.499 301 HB3 LYS 39 HB3 LYS 39 -1.080 8.752 10.004 302 HG2 LYS 39 HG2 LYS 39 -2.248 10.863 10.471 303 HG3 LYS 39 HG3 LYS 39 -2.843 10.181 11.986 304 HD2 LYS 39 HD2 LYS 39 0.082 10.280 11.348 305 HD3 LYS 39 HD3 LYS 39 -0.747 11.659 12.075 306 HE2 LYS 39 HE2 LYS 39 -0.776 8.879 13.236 307 HE3 LYS 39 HE3 LYS 39 0.405 10.107 13.686 308 HZ1 LYS 39 HZ1 LYS 39 -1.271 11.463 14.582 309 HZ2 LYS 39 HZ2 LYS 39 -1.596 9.914 15.175 310 HZ3 LYS 39 HZ3 LYS 39 -2.515 10.552 13.903 311 H MET 40 H MET 40 -4.387 10.511 9.874 312 HA MET 40 HA MET 40 -5.112 10.799 7.228 313 HB2 MET 40 HB2 MET 40 -5.858 12.307 9.021 314 HB3 MET 40 HB3 MET 40 -4.241 12.979 9.133 315 HG2 MET 40 HG2 MET 40 -5.503 14.554 7.931 316 HG3 MET 40 HG3 MET 40 -4.517 13.727 6.731 317 HE1 MET 40 HE1 MET 40 -5.840 11.245 5.589 318 HE2 MET 40 HE2 MET 40 -5.402 12.669 4.653 319 HE3 MET 40 HE3 MET 40 -6.999 11.947 4.462 320 H THR 41 H THR 41 -2.006 11.431 8.738 321 HA THR 41 HA THR 41 -0.860 11.682 6.075 322 HB THR 41 HB THR 41 0.754 13.343 7.018 323 HG1 THR 41 HG1 THR 41 -0.294 14.350 9.068 324 HG21 THR 41 HG21 THR 41 -2.181 14.025 7.195 325 HG22 THR 41 HG22 THR 41 -1.137 14.189 5.782 326 HG23 THR 41 HG23 THR 41 -0.891 15.228 7.189 327 H THR 42 H THR 42 0.549 10.036 5.790 328 HA THR 42 HA THR 42 2.535 9.345 7.656 329 HB THR 42 HB THR 42 0.518 8.277 8.761 330 HG1 THR 42 HG1 THR 42 1.622 6.328 9.168 331 HG21 THR 42 HG21 THR 42 -0.721 7.571 6.806 332 HG22 THR 42 HG22 THR 42 -0.283 6.148 7.756 333 HG23 THR 42 HG23 THR 42 0.617 6.541 6.292 334 H HIS 43 H HIS 43 3.555 7.138 6.915 335 HA HIS 43 HA HIS 43 3.844 7.343 4.022 336 HB2 HIS 43 HB2 HIS 43 5.451 5.812 6.073 337 HB3 HIS 43 HB3 HIS 43 5.803 5.857 4.350 338 HD1 HIS 43 HD1 HIS 43 7.095 7.232 7.231 339 HD2 HIS 43 HD2 HIS 43 5.836 8.904 3.647 340 HE1 HIS 43 HE1 HIS 43 8.229 9.466 7.102 341 HE2 HIS 43 HE2 HIS 43 7.279 10.543 5.033 342 H LEU 44 H LEU 44 2.718 6.065 2.735 343 HA LEU 44 HA LEU 44 1.144 3.927 3.600 344 HB2 LEU 44 HB2 LEU 44 2.157 4.505 0.824 345 HB3 LEU 44 HB3 LEU 44 0.860 3.393 1.213 346 HG LEU 44 HG LEU 44 0.845 6.386 1.545 347 HD11 LEU 44 HD11 LEU 44 -0.732 4.517 -0.201 348 HD12 LEU 44 HD12 LEU 44 0.497 5.673 -0.715 349 HD13 LEU 44 HD13 LEU 44 -1.028 6.248 -0.040 350 HD21 LEU 44 HD21 LEU 44 -1.257 4.376 2.349 351 HD22 LEU 44 HD22 LEU 44 -1.472 6.124 2.330 352 HD23 LEU 44 HD23 LEU 44 -0.313 5.393 3.439 353 H LYS 45 H LYS 45 4.477 3.950 3.158 354 HA LYS 45 HA LYS 45 5.012 1.376 2.233 355 HB2 LYS 45 HB2 LYS 45 6.665 3.227 2.568 356 HB3 LYS 45 HB3 LYS 45 6.562 2.956 4.294 357 HG2 LYS 45 HG2 LYS 45 7.278 0.684 2.525 358 HG3 LYS 45 HG3 LYS 45 8.495 1.912 2.850 359 HD2 LYS 45 HD2 LYS 45 7.006 0.283 4.911 360 HD3 LYS 45 HD3 LYS 45 8.677 0.038 4.405 361 HE2 LYS 45 HE2 LYS 45 9.202 2.324 5.204 362 HE3 LYS 45 HE3 LYS 45 7.557 2.465 5.805 363 HZ1 LYS 45 HZ1 LYS 45 9.619 0.541 6.729 364 HZ2 LYS 45 HZ2 LYS 45 7.999 0.477 7.200 365 HZ3 LYS 45 HZ3 LYS 45 8.945 1.820 7.608 366 H LYS 46 H LYS 46 3.959 2.568 5.341 367 HA LYS 46 HA LYS 46 4.470 0.359 6.958 368 HB2 LYS 46 HB2 LYS 46 3.885 2.376 8.011 369 HB3 LYS 46 HB3 LYS 46 2.450 2.579 7.018 370 HG2 LYS 46 HG2 LYS 46 2.409 0.161 8.597 371 HG3 LYS 46 HG3 LYS 46 2.520 1.628 9.578 372 HD2 LYS 46 HD2 LYS 46 0.550 2.528 8.373 373 HD3 LYS 46 HD3 LYS 46 0.444 1.017 7.461 374 HE2 LYS 46 HE2 LYS 46 -1.111 1.177 9.416 375 HE3 LYS 46 HE3 LYS 46 -0.049 -0.228 9.421 376 HZ1 LYS 46 HZ1 LYS 46 -0.163 0.774 11.610 377 HZ2 LYS 46 HZ2 LYS 46 0.346 2.263 11.005 378 HZ3 LYS 46 HZ3 LYS 46 1.399 0.941 10.996 379 H LEU 47 H LEU 47 1.902 1.023 4.703 380 HA LEU 47 HA LEU 47 0.280 -1.186 5.617 381 HB2 LEU 47 HB2 LEU 47 -1.341 -0.556 4.073 382 HB3 LEU 47 HB3 LEU 47 -0.624 0.959 4.564 383 HG LEU 47 HG LEU 47 0.835 0.547 2.387 384 HD11 LEU 47 HD11 LEU 47 -0.519 -0.435 0.613 385 HD12 LEU 47 HD12 LEU 47 -1.754 -0.865 1.799 386 HD13 LEU 47 HD13 LEU 47 -0.157 -1.609 1.880 387 HD21 LEU 47 HD21 LEU 47 -1.976 1.607 2.444 388 HD22 LEU 47 HD22 LEU 47 -0.792 1.921 1.171 389 HD23 LEU 47 HD23 LEU 47 -0.497 2.496 2.814 390 H LYS 48 H LYS 48 2.641 -0.547 3.105 391 HA LYS 48 HA LYS 48 2.370 -2.893 1.585 392 HB2 LYS 48 HB2 LYS 48 4.632 -1.056 2.188 393 HB3 LYS 48 HB3 LYS 48 5.038 -2.636 1.545 394 HG2 LYS 48 HG2 LYS 48 4.957 -1.189 -0.278 395 HG3 LYS 48 HG3 LYS 48 3.459 -2.121 -0.356 396 HD2 LYS 48 HD2 LYS 48 2.200 -0.289 0.486 397 HD3 LYS 48 HD3 LYS 48 3.667 0.616 0.885 398 HE2 LYS 48 HE2 LYS 48 2.460 0.044 -1.796 399 HE3 LYS 48 HE3 LYS 48 2.968 1.589 -1.113 400 HZ1 LYS 48 HZ1 LYS 48 5.313 0.662 -1.216 401 HZ2 LYS 48 HZ2 LYS 48 4.597 0.991 -2.722 402 HZ3 LYS 48 HZ3 LYS 48 4.690 -0.591 -2.162 403 H GLU 49 H GLU 49 4.224 -2.242 4.506 404 HA GLU 49 HA GLU 49 5.347 -4.800 4.793 405 HB2 GLU 49 HB2 GLU 49 4.669 -2.845 6.988 406 HB3 GLU 49 HB3 GLU 49 5.859 -4.140 7.058 407 HG2 GLU 49 HG2 GLU 49 7.097 -3.024 5.238 408 HG3 GLU 49 HG3 GLU 49 5.956 -1.690 5.316 409 H SER 50 H SER 50 2.510 -3.320 6.277 410 HA SER 50 HA SER 50 1.647 -5.527 7.752 411 HB2 SER 50 HB2 SER 50 -0.094 -3.412 6.462 412 HB3 SER 50 HB3 SER 50 -0.517 -4.423 7.845 413 HG SER 50 HG SER 50 1.521 -2.435 7.722 414 H TYR 51 H TYR 51 1.396 -4.854 4.399 415 HA TYR 51 HA TYR 51 -0.660 -6.815 3.806 416 HB2 TYR 51 HB2 TYR 51 -0.065 -4.776 2.335 417 HB3 TYR 51 HB3 TYR 51 1.322 -5.713 1.799 418 HD1 TYR 51 HD1 TYR 51 0.359 -8.355 1.299 419 HD2 TYR 51 HD2 TYR 51 -1.660 -4.673 0.679 420 HE1 TYR 51 HE1 TYR 51 -1.030 -9.421 -0.421 421 HE2 TYR 51 HE2 TYR 51 -3.071 -5.739 -1.052 422 HH TYR 51 HH TYR 51 -3.077 -7.603 -2.511 423 H CYS 52 H CYS 52 2.828 -6.591 3.276 424 HA CYS 52 HA CYS 52 3.183 -9.220 2.363 425 HB2 CYS 52 HB2 CYS 52 4.815 -7.456 1.953 426 HB3 CYS 52 HB3 CYS 52 5.178 -7.353 3.667 427 HG CYS 52 HG CYS 52 5.812 -10.017 1.629 428 H GLN 53 H GLN 53 3.125 -7.875 5.595 429 HA GLN 53 HA GLN 53 4.239 -10.190 6.840 430 HB2 GLN 53 HB2 GLN 53 2.685 -7.884 8.014 431 HB3 GLN 53 HB3 GLN 53 3.512 -9.126 8.949 432 HG2 GLN 53 HG2 GLN 53 4.870 -7.353 6.968 433 HG3 GLN 53 HG3 GLN 53 4.767 -6.966 8.682 434 HE21 GLN 53 HE21 GLN 53 7.090 -7.403 7.079 435 HE22 GLN 53 HE22 GLN 53 7.935 -8.753 7.744 436 H ARG 54 H ARG 54 0.964 -9.110 6.126 437 HA ARG 54 HA ARG 54 -0.214 -11.207 7.724 438 HB2 ARG 54 HB2 ARG 54 -1.279 -8.985 7.468 439 HB3 ARG 54 HB3 ARG 54 -1.505 -9.324 5.759 440 HG2 ARG 54 HG2 ARG 54 -3.571 -9.702 6.922 441 HG3 ARG 54 HG3 ARG 54 -2.931 -11.250 6.362 442 HD2 ARG 54 HD2 ARG 54 -2.064 -11.718 8.585 443 HD3 ARG 54 HD3 ARG 54 -2.623 -10.145 9.152 444 HE ARG 54 HE ARG 54 -4.578 -12.052 8.087 445 HH11 ARG 54 HH11 ARG 54 -3.266 -10.290 10.830 446 HH12 ARG 54 HH12 ARG 54 -4.598 -10.656 11.869 447 HH21 ARG 54 HH21 ARG 54 -6.352 -12.526 9.470 448 HH22 ARG 54 HH22 ARG 54 -6.359 -11.926 11.090 449 H GLN 55 H GLN 55 0.005 -10.452 4.251 450 HA GLN 55 HA GLN 55 -1.220 -12.995 3.593 451 HB2 GLN 55 HB2 GLN 55 -0.389 -10.595 2.008 452 HB3 GLN 55 HB3 GLN 55 -0.724 -12.112 1.187 453 HG2 GLN 55 HG2 GLN 55 -2.715 -10.837 1.099 454 HG3 GLN 55 HG3 GLN 55 -2.982 -12.100 2.293 455 HE21 GLN 55 HE21 GLN 55 -1.106 -9.163 2.826 456 HE22 GLN 55 HE22 GLN 55 -2.199 -8.482 3.977 457 H GLY 56 H GLY 56 1.915 -11.843 4.100 458 HA2 GLY 56 HA2 GLY 56 3.985 -12.793 3.858 459 HA3 GLY 56 HA3 GLY 56 3.144 -14.329 3.726 460 H VAL 57 H VAL 57 2.995 -11.555 1.535 461 HA VAL 57 HA VAL 57 4.181 -13.251 -0.554 462 HB VAL 57 HB VAL 57 2.732 -11.904 -2.183 463 HG11 VAL 57 HG11 VAL 57 0.768 -13.330 -1.824 464 HG12 VAL 57 HG12 VAL 57 1.363 -13.738 -0.216 465 HG13 VAL 57 HG13 VAL 57 2.270 -14.236 -1.644 466 HG21 VAL 57 HG21 VAL 57 0.697 -10.906 -1.295 467 HG22 VAL 57 HG22 VAL 57 2.120 -10.119 -0.603 468 HG23 VAL 57 HG23 VAL 57 1.210 -11.290 0.348 469 HA PRO 58 HA PRO 58 7.127 -10.067 -1.291 470 HB2 PRO 58 HB2 PRO 58 7.481 -10.176 -3.983 471 HB3 PRO 58 HB3 PRO 58 8.076 -11.427 -2.884 472 HG2 PRO 58 HG2 PRO 58 5.607 -11.404 -4.571 473 HG3 PRO 58 HG3 PRO 58 6.761 -12.720 -4.298 474 HD2 PRO 58 HD2 PRO 58 4.383 -12.571 -3.023 475 HD3 PRO 58 HD3 PRO 58 5.824 -13.289 -2.277 476 H MET 59 H MET 59 6.392 -8.051 -0.872 477 HA MET 59 HA MET 59 4.354 -6.795 -2.424 478 HB2 MET 59 HB2 MET 59 5.766 -6.260 0.064 479 HB3 MET 59 HB3 MET 59 5.440 -4.805 -0.868 480 HG2 MET 59 HG2 MET 59 3.684 -5.340 0.803 481 HG3 MET 59 HG3 MET 59 3.077 -5.242 -0.844 482 HE1 MET 59 HE1 MET 59 1.799 -6.821 -1.959 483 HE2 MET 59 HE2 MET 59 1.485 -8.493 -1.530 484 HE3 MET 59 HE3 MET 59 3.013 -8.062 -2.288 485 H ASN 60 H ASN 60 7.616 -7.130 -3.004 486 HA ASN 60 HA ASN 60 7.886 -4.518 -4.280 487 HB2 ASN 60 HB2 ASN 60 9.893 -6.774 -4.277 488 HB3 ASN 60 HB3 ASN 60 10.186 -5.093 -4.704 489 HD21 ASN 60 HD21 ASN 60 8.428 -4.285 -2.408 490 HD22 ASN 60 HD22 ASN 60 9.405 -4.525 -1.007 491 H SER 61 H SER 61 7.602 -7.910 -5.162 492 HA SER 61 HA SER 61 7.991 -7.836 -7.875 493 HB2 SER 61 HB2 SER 61 5.855 -9.426 -6.451 494 HB3 SER 61 HB3 SER 61 6.610 -9.819 -7.995 495 HG SER 61 HG SER 61 8.640 -9.853 -6.781 496 H LEU 62 H LEU 62 5.286 -6.573 -6.102 497 HA LEU 62 HA LEU 62 4.147 -5.666 -8.629 498 HB2 LEU 62 HB2 LEU 62 1.933 -5.561 -7.287 499 HB3 LEU 62 HB3 LEU 62 2.461 -7.074 -7.971 500 HG LEU 62 HG LEU 62 1.427 -7.179 -5.688 501 HD11 LEU 62 HD11 LEU 62 4.199 -8.285 -5.957 502 HD12 LEU 62 HD12 LEU 62 2.716 -9.008 -6.579 503 HD13 LEU 62 HD13 LEU 62 2.959 -8.851 -4.838 504 HD21 LEU 62 HD21 LEU 62 2.460 -5.200 -4.713 505 HD22 LEU 62 HD22 LEU 62 4.042 -5.975 -4.799 506 HD23 LEU 62 HD23 LEU 62 2.790 -6.640 -3.757 507 H ARG 63 H ARG 63 2.698 -3.668 -8.220 508 HA ARG 63 HA ARG 63 4.000 -1.980 -6.204 509 HB2 ARG 63 HB2 ARG 63 3.988 -0.070 -7.730 510 HB3 ARG 63 HB3 ARG 63 4.971 -1.382 -8.361 511 HG2 ARG 63 HG2 ARG 63 2.130 -1.058 -9.233 512 HG3 ARG 63 HG3 ARG 63 3.409 -0.077 -9.947 513 HD2 ARG 63 HD2 ARG 63 4.613 -2.135 -10.563 514 HD3 ARG 63 HD3 ARG 63 3.292 -3.087 -9.880 515 HE ARG 63 HE ARG 63 2.147 -2.772 -11.812 516 HH11 ARG 63 HH11 ARG 63 4.553 -0.223 -11.584 517 HH12 ARG 63 HH12 ARG 63 4.163 0.445 -13.132 518 HH21 ARG 63 HH21 ARG 63 1.664 -1.891 -13.873 519 HH22 ARG 63 HH22 ARG 63 2.531 -0.502 -14.429 520 H PHE 64 H PHE 64 2.745 0.034 -5.765 521 HA PHE 64 HA PHE 64 -0.095 -0.693 -5.666 522 HB2 PHE 64 HB2 PHE 64 1.604 0.891 -3.730 523 HB3 PHE 64 HB3 PHE 64 -0.151 0.843 -3.648 524 HD1 PHE 64 HD1 PHE 64 2.523 -1.742 -4.111 525 HD2 PHE 64 HD2 PHE 64 -0.887 -0.467 -1.913 526 HE1 PHE 64 HE1 PHE 64 2.661 -3.773 -2.732 527 HE2 PHE 64 HE2 PHE 64 -0.753 -2.500 -0.531 528 HZ PHE 64 HZ PHE 64 1.018 -4.154 -0.941 529 H LEU 65 H LEU 65 -1.322 0.467 -6.905 530 HA LEU 65 HA LEU 65 -0.563 3.258 -7.499 531 HB2 LEU 65 HB2 LEU 65 -2.004 1.412 -9.376 532 HB3 LEU 65 HB3 LEU 65 -1.431 3.026 -9.716 533 HG LEU 65 HG LEU 65 0.287 0.583 -9.287 534 HD11 LEU 65 HD11 LEU 65 -0.229 2.259 -11.737 535 HD12 LEU 65 HD12 LEU 65 -0.828 0.627 -11.448 536 HD13 LEU 65 HD13 LEU 65 0.903 0.911 -11.628 537 HD21 LEU 65 HD21 LEU 65 1.073 3.434 -9.871 538 HD22 LEU 65 HD22 LEU 65 2.167 2.049 -9.867 539 HD23 LEU 65 HD23 LEU 65 1.374 2.553 -8.372 540 H PHE 66 H PHE 66 -2.047 4.683 -7.148 541 HA PHE 66 HA PHE 66 -4.755 3.754 -6.518 542 HB2 PHE 66 HB2 PHE 66 -3.835 5.005 -4.687 543 HB3 PHE 66 HB3 PHE 66 -3.308 6.296 -5.749 544 HD1 PHE 66 HD1 PHE 66 -6.615 4.582 -5.738 545 HD2 PHE 66 HD2 PHE 66 -4.430 8.129 -4.873 546 HE1 PHE 66 HE1 PHE 66 -8.709 5.767 -5.384 547 HE2 PHE 66 HE2 PHE 66 -6.545 9.337 -4.488 548 HZ PHE 66 HZ PHE 66 -8.693 8.154 -4.746 549 H GLU 67 H GLU 67 -5.809 3.705 -8.371 550 HA GLU 67 HA GLU 67 -6.694 4.292 -10.370 551 HB2 GLU 67 HB2 GLU 67 -7.898 6.353 -10.390 552 HB3 GLU 67 HB3 GLU 67 -7.871 5.794 -8.731 553 HG2 GLU 67 HG2 GLU 67 -6.238 7.406 -8.124 554 HG3 GLU 67 HG3 GLU 67 -5.973 7.856 -9.810 555 H GLY 68 H GLY 68 -3.789 4.385 -10.255 556 HA2 GLY 68 HA2 GLY 68 -2.443 4.719 -12.231 557 HA3 GLY 68 HA3 GLY 68 -3.345 6.198 -12.526 558 H GLN 69 H GLN 69 -2.807 6.287 -9.316 559 HA GLN 69 HA GLN 69 -0.545 8.081 -9.579 560 HB2 GLN 69 HB2 GLN 69 -2.230 7.229 -7.222 561 HB3 GLN 69 HB3 GLN 69 -0.888 8.351 -7.091 562 HG2 GLN 69 HG2 GLN 69 -3.272 8.803 -8.868 563 HG3 GLN 69 HG3 GLN 69 -3.171 9.371 -7.203 564 HE21 GLN 69 HE21 GLN 69 -0.347 10.013 -7.352 565 HE22 GLN 69 HE22 GLN 69 -0.226 11.441 -8.314 566 H ARG 70 H ARG 70 1.551 7.560 -9.066 567 HA ARG 70 HA ARG 70 2.136 4.850 -8.421 568 HB2 ARG 70 HB2 ARG 70 3.493 6.017 -10.035 569 HB3 ARG 70 HB3 ARG 70 3.848 7.287 -8.876 570 HG2 ARG 70 HG2 ARG 70 5.760 5.873 -9.081 571 HG3 ARG 70 HG3 ARG 70 5.045 5.629 -7.487 572 HD2 ARG 70 HD2 ARG 70 5.710 3.503 -8.519 573 HD3 ARG 70 HD3 ARG 70 3.969 3.587 -8.265 574 HE ARG 70 HE ARG 70 3.697 3.983 -10.624 575 HH11 ARG 70 HH11 ARG 70 6.920 2.954 -9.659 576 HH12 ARG 70 HH12 ARG 70 7.335 2.372 -11.230 577 HH21 ARG 70 HH21 ARG 70 4.252 3.213 -12.696 578 HH22 ARG 70 HH22 ARG 70 5.816 2.519 -12.969 579 H ILE 71 H ILE 71 2.225 4.105 -6.419 580 HA ILE 71 HA ILE 71 3.152 5.927 -4.310 581 HB ILE 71 HB ILE 71 1.276 3.552 -4.040 582 HG12 ILE 71 HG12 ILE 71 -0.174 5.369 -2.907 583 HG13 ILE 71 HG13 ILE 71 0.909 6.529 -3.661 584 HG21 ILE 71 HG21 ILE 71 1.266 3.977 -1.639 585 HG22 ILE 71 HG22 ILE 71 2.456 5.261 -1.851 586 HG23 ILE 71 HG23 ILE 71 2.892 3.589 -2.203 587 HD11 ILE 71 HD11 ILE 71 -0.783 4.501 -5.101 588 HD12 ILE 71 HD12 ILE 71 0.280 5.691 -5.855 589 HD13 ILE 71 HD13 ILE 71 -1.128 6.221 -4.941 590 H ALA 72 H ALA 72 5.343 5.475 -4.458 591 HA ALA 72 HA ALA 72 6.072 2.646 -4.174 592 HB1 ALA 72 HB1 ALA 72 6.974 3.718 -6.182 593 HB2 ALA 72 HB2 ALA 72 8.260 3.240 -5.074 594 HB3 ALA 72 HB3 ALA 72 7.769 4.930 -5.178 595 H ASP 73 H ASP 73 5.537 2.851 -1.933 596 HA ASP 73 HA ASP 73 5.960 3.142 0.287 597 HB2 ASP 73 HB2 ASP 73 8.785 2.739 -0.722 598 HB3 ASP 73 HB3 ASP 73 8.258 2.535 0.947 599 H ASN 74 H ASN 74 5.549 5.618 -0.820 600 HA ASN 74 HA ASN 74 7.230 7.281 0.830 601 HB2 ASN 74 HB2 ASN 74 7.971 8.746 -0.957 602 HB3 ASN 74 HB3 ASN 74 8.524 7.106 -1.248 603 HD21 ASN 74 HD21 ASN 74 8.164 9.325 -3.078 604 HD22 ASN 74 HD22 ASN 74 7.058 8.764 -4.281 605 H HIS 75 H HIS 75 4.648 7.078 -1.537 606 HA HIS 75 HA HIS 75 3.633 9.651 -1.179 607 HB2 HIS 75 HB2 HIS 75 2.997 7.394 -2.742 608 HB3 HIS 75 HB3 HIS 75 1.519 7.894 -1.927 609 HD1 HIS 75 HD1 HIS 75 3.351 8.519 -4.921 610 HD2 HIS 75 HD2 HIS 75 1.167 10.874 -2.282 611 HE1 HIS 75 HE1 HIS 75 2.771 10.583 -6.189 612 HE2 HIS 75 HE2 HIS 75 1.786 12.119 -4.464 613 H THR 76 H THR 76 1.745 10.373 -0.205 614 HA THR 76 HA THR 76 1.033 8.926 2.251 615 HB THR 76 HB THR 76 0.478 11.160 3.193 616 HG1 THR 76 HG1 THR 76 1.863 12.355 1.052 617 HG21 THR 76 HG21 THR 76 2.788 11.970 3.443 618 HG22 THR 76 HG22 THR 76 3.288 10.926 2.111 619 HG23 THR 76 HG23 THR 76 2.691 10.216 3.612 620 HA PRO 77 HA PRO 77 -3.194 8.711 0.951 621 HB2 PRO 77 HB2 PRO 77 -4.503 9.300 3.312 622 HB3 PRO 77 HB3 PRO 77 -3.792 7.727 2.946 623 HG2 PRO 77 HG2 PRO 77 -2.683 9.976 4.571 624 HG3 PRO 77 HG3 PRO 77 -2.632 8.233 4.888 625 HD2 PRO 77 HD2 PRO 77 -0.511 9.561 3.922 626 HD3 PRO 77 HD3 PRO 77 -0.871 7.895 3.426 627 H LYS 78 H LYS 78 -2.077 11.544 2.597 628 HA LYS 78 HA LYS 78 -4.410 13.140 2.073 629 HB2 LYS 78 HB2 LYS 78 -3.078 14.986 3.014 630 HB3 LYS 78 HB3 LYS 78 -3.091 13.576 4.063 631 HG2 LYS 78 HG2 LYS 78 -0.876 13.308 3.931 632 HG3 LYS 78 HG3 LYS 78 -0.852 13.610 2.194 633 HD2 LYS 78 HD2 LYS 78 -1.027 16.025 2.631 634 HD3 LYS 78 HD3 LYS 78 -0.988 15.702 4.365 635 HE2 LYS 78 HE2 LYS 78 1.225 14.732 4.159 636 HE3 LYS 78 HE3 LYS 78 1.181 14.946 2.412 637 HZ1 LYS 78 HZ1 LYS 78 1.096 17.154 4.400 638 HZ2 LYS 78 HZ2 LYS 78 1.125 17.329 2.719 639 HZ3 LYS 78 HZ3 LYS 78 2.464 16.684 3.522 640 H GLU 79 H GLU 79 -1.242 12.674 0.646 641 HA GLU 79 HA GLU 79 -1.376 14.956 -1.063 642 HB2 GLU 79 HB2 GLU 79 0.728 13.945 -0.261 643 HB3 GLU 79 HB3 GLU 79 0.375 12.507 -1.206 644 HG2 GLU 79 HG2 GLU 79 1.958 13.859 -2.380 645 HG3 GLU 79 HG3 GLU 79 0.424 13.890 -3.247 646 H LEU 80 H LEU 80 -2.305 11.634 -1.221 647 HA LEU 80 HA LEU 80 -2.648 11.560 -4.062 648 HB2 LEU 80 HB2 LEU 80 -3.669 9.772 -1.876 649 HB3 LEU 80 HB3 LEU 80 -3.798 9.433 -3.590 650 HG LEU 80 HG LEU 80 -1.143 9.842 -2.249 651 HD11 LEU 80 HD11 LEU 80 -2.621 7.256 -2.652 652 HD12 LEU 80 HD12 LEU 80 -2.360 8.076 -1.109 653 HD13 LEU 80 HD13 LEU 80 -0.980 7.451 -2.020 654 HD21 LEU 80 HD21 LEU 80 -1.982 8.434 -4.789 655 HD22 LEU 80 HD22 LEU 80 -0.335 8.557 -4.171 656 HD23 LEU 80 HD23 LEU 80 -1.191 10.007 -4.690 657 H GLY 81 H GLY 81 -4.425 12.890 -1.487 658 HA2 GLY 81 HA2 GLY 81 -6.390 14.093 -1.622 659 HA3 GLY 81 HA3 GLY 81 -6.524 13.611 -3.304 660 H MET 82 H MET 82 -6.150 11.134 -0.817 661 HA MET 82 HA MET 82 -8.890 10.368 -1.467 662 HB2 MET 82 HB2 MET 82 -8.142 8.003 -1.037 663 HB3 MET 82 HB3 MET 82 -7.502 8.751 -2.487 664 HG2 MET 82 HG2 MET 82 -5.669 7.650 -1.629 665 HG3 MET 82 HG3 MET 82 -5.446 9.287 -1.018 666 HE1 MET 82 HE1 MET 82 -4.496 6.090 1.483 667 HE2 MET 82 HE2 MET 82 -3.845 6.939 0.076 668 HE3 MET 82 HE3 MET 82 -5.116 5.730 -0.124 669 H GLU 83 H GLU 83 -9.534 8.538 0.372 670 HA GLU 83 HA GLU 83 -8.836 9.550 2.997 671 HB2 GLU 83 HB2 GLU 83 -11.217 10.123 3.541 672 HB3 GLU 83 HB3 GLU 83 -10.441 11.199 2.395 673 HG2 GLU 83 HG2 GLU 83 -11.551 9.992 0.554 674 HG3 GLU 83 HG3 GLU 83 -12.398 9.013 1.751 675 H GLU 84 H GLU 84 -11.175 8.540 4.330 676 HA GLU 84 HA GLU 84 -10.376 5.864 4.646 677 HB2 GLU 84 HB2 GLU 84 -12.213 5.669 6.226 678 HB3 GLU 84 HB3 GLU 84 -11.354 7.178 6.466 679 HG2 GLU 84 HG2 GLU 84 -13.103 8.382 5.278 680 HG3 GLU 84 HG3 GLU 84 -13.972 6.867 5.028 681 H GLU 85 H GLU 85 -11.575 3.949 4.359 682 HA GLU 85 HA GLU 85 -12.667 2.400 3.171 683 HB2 GLU 85 HB2 GLU 85 -14.604 3.914 3.957 684 HB3 GLU 85 HB3 GLU 85 -14.646 4.497 2.298 685 HG2 GLU 85 HG2 GLU 85 -16.295 2.775 2.590 686 HG3 GLU 85 HG3 GLU 85 -15.015 2.175 1.537 687 H ASP 86 H ASP 86 -10.594 4.127 1.921 688 HA ASP 86 HA ASP 86 -11.385 4.340 -0.845 689 HB2 ASP 86 HB2 ASP 86 -9.386 5.459 0.805 690 HB3 ASP 86 HB3 ASP 86 -8.566 4.582 -0.480 691 H VAL 87 H VAL 87 -10.059 3.348 -2.553 692 HA VAL 87 HA VAL 87 -9.048 0.733 -1.732 693 HB VAL 87 HB VAL 87 -11.250 0.409 -2.752 694 HG11 VAL 87 HG11 VAL 87 -11.442 2.351 -4.134 695 HG12 VAL 87 HG12 VAL 87 -11.600 0.924 -5.158 696 HG13 VAL 87 HG13 VAL 87 -10.088 1.836 -5.137 697 HG21 VAL 87 HG21 VAL 87 -10.616 -1.186 -4.519 698 HG22 VAL 87 HG22 VAL 87 -9.586 -1.326 -3.095 699 HG23 VAL 87 HG23 VAL 87 -8.991 -0.502 -4.536 700 H ILE 88 H ILE 88 -7.154 0.230 -2.440 701 HA ILE 88 HA ILE 88 -5.898 1.902 -4.521 702 HB ILE 88 HB ILE 88 -4.441 0.278 -2.420 703 HG12 ILE 88 HG12 ILE 88 -5.743 2.085 -1.340 704 HG13 ILE 88 HG13 ILE 88 -4.010 2.370 -1.225 705 HG21 ILE 88 HG21 ILE 88 -3.165 0.700 -4.445 706 HG22 ILE 88 HG22 ILE 88 -2.490 1.588 -3.076 707 HG23 ILE 88 HG23 ILE 88 -3.463 2.431 -4.284 708 HD11 ILE 88 HD11 ILE 88 -4.147 3.981 -3.036 709 HD12 ILE 88 HD12 ILE 88 -5.243 4.412 -1.721 710 HD13 ILE 88 HD13 ILE 88 -5.875 3.677 -3.195 711 H GLU 89 H GLU 89 -4.571 0.803 -6.058 712 HA GLU 89 HA GLU 89 -5.472 -1.969 -6.435 713 HB2 GLU 89 HB2 GLU 89 -4.576 -0.163 -8.650 714 HB3 GLU 89 HB3 GLU 89 -5.593 -1.595 -8.739 715 HG2 GLU 89 HG2 GLU 89 -7.323 -0.301 -7.439 716 HG3 GLU 89 HG3 GLU 89 -6.316 1.118 -7.681 717 H VAL 90 H VAL 90 -3.957 -3.491 -6.638 718 HA VAL 90 HA VAL 90 -1.164 -2.590 -6.759 719 HB VAL 90 HB VAL 90 -2.259 -5.134 -5.535 720 HG11 VAL 90 HG11 VAL 90 0.027 -5.506 -4.756 721 HG12 VAL 90 HG12 VAL 90 0.560 -4.093 -5.667 722 HG13 VAL 90 HG13 VAL 90 -0.073 -5.500 -6.517 723 HG21 VAL 90 HG21 VAL 90 -1.523 -4.165 -3.418 724 HG22 VAL 90 HG22 VAL 90 -2.738 -3.152 -4.203 725 HG23 VAL 90 HG23 VAL 90 -1.035 -2.698 -4.266 726 H TYR 91 H TYR 91 -0.249 -2.912 -8.615 727 HA TYR 91 HA TYR 91 -1.270 -5.032 -10.372 728 HB2 TYR 91 HB2 TYR 91 0.244 -2.503 -11.005 729 HB3 TYR 91 HB3 TYR 91 -0.191 -3.727 -12.189 730 HD1 TYR 91 HD1 TYR 91 -2.509 -4.012 -12.882 731 HD2 TYR 91 HD2 TYR 91 -1.418 -1.025 -10.066 732 HE1 TYR 91 HE1 TYR 91 -4.687 -2.929 -13.200 733 HE2 TYR 91 HE2 TYR 91 -3.581 0.074 -10.375 734 HH TYR 91 HH TYR 91 -5.423 0.187 -11.788 735 H GLN 92 H GLN 92 0.107 -6.500 -11.293 736 HA GLN 92 HA GLN 92 2.577 -6.904 -9.863 737 HB2 GLN 92 HB2 GLN 92 0.777 -8.645 -10.653 738 HB3 GLN 92 HB3 GLN 92 1.708 -8.632 -12.143 739 HG2 GLN 92 HG2 GLN 92 2.861 -9.221 -9.422 740 HG3 GLN 92 HG3 GLN 92 2.299 -10.452 -10.544 741 HE21 GLN 92 HE21 GLN 92 4.930 -9.952 -9.398 742 HE22 GLN 92 HE22 GLN 92 6.017 -9.771 -10.725 743 H GLU 93 H GLU 93 4.427 -6.176 -10.490 744 HA GLU 93 HA GLU 93 5.531 -6.406 -13.008 745 HB2 GLU 93 HB2 GLU 93 4.027 -4.649 -13.732 746 HB3 GLU 93 HB3 GLU 93 4.532 -3.599 -12.415 747 HG2 GLU 93 HG2 GLU 93 6.808 -3.559 -13.385 748 HG3 GLU 93 HG3 GLU 93 6.237 -4.562 -14.715 749 H GLN 94 H GLN 94 7.456 -6.690 -12.461 750 HA GLN 94 HA GLN 94 8.582 -6.149 -9.980 751 HB2 GLN 94 HB2 GLN 94 10.812 -6.542 -11.109 752 HB3 GLN 94 HB3 GLN 94 9.625 -7.827 -11.253 753 HG2 GLN 94 HG2 GLN 94 9.058 -6.975 -13.510 754 HG3 GLN 94 HG3 GLN 94 10.373 -5.810 -13.352 755 HE21 GLN 94 HE21 GLN 94 9.545 -9.167 -13.653 756 HE22 GLN 94 HE22 GLN 94 11.122 -9.716 -14.101 757 H THR 95 H THR 95 9.952 -4.598 -9.164 758 HA THR 95 HA THR 95 9.877 -2.065 -10.627 759 HB THR 95 HB THR 95 10.102 -1.102 -8.246 760 HG1 THR 95 HG1 THR 95 8.841 -3.464 -7.375 761 HG21 THR 95 HG21 THR 95 7.670 -1.254 -7.868 762 HG22 THR 95 HG22 THR 95 7.579 -2.564 -9.045 763 HG23 THR 95 HG23 THR 95 8.044 -0.944 -9.563 764 H GLY 96 H GLY 96 11.877 -4.418 -10.325 765 HA2 GLY 96 HA2 GLY 96 14.175 -4.328 -10.759 766 HA3 GLY 96 HA3 GLY 96 14.214 -2.694 -10.110 767 H GLY 97 H GLY 97 14.490 -2.374 -7.931 768 HA2 GLY 97 HA2 GLY 97 14.597 -3.118 -5.671 769 HA3 GLY 97 HA3 GLY 97 14.769 -4.769 -6.257 Start of MODEL 4 1 H MET 1 H MET 1 9.589 16.771 -1.430 2 HA MET 1 HA MET 1 12.508 17.227 -1.306 3 HB2 MET 1 HB2 MET 1 10.779 16.044 -3.477 4 HB3 MET 1 HB3 MET 1 12.402 16.647 -3.765 5 HG2 MET 1 HG2 MET 1 13.289 15.009 -2.185 6 HG3 MET 1 HG3 MET 1 11.659 14.400 -1.907 7 HE1 MET 1 HE1 MET 1 13.352 11.526 -3.976 8 HE2 MET 1 HE2 MET 1 12.504 11.940 -2.486 9 HE3 MET 1 HE3 MET 1 14.129 12.560 -2.777 10 H SER 2 H SER 2 9.742 17.917 -3.447 11 HA SER 2 HA SER 2 10.799 20.399 -4.282 12 HB2 SER 2 HB2 SER 2 8.422 20.723 -5.174 13 HB3 SER 2 HB3 SER 2 9.305 19.314 -5.765 14 HG SER 2 HG SER 2 6.965 19.258 -4.753 15 H ASP 3 H ASP 3 8.110 19.616 -2.129 16 HA ASP 3 HA ASP 3 8.019 22.377 -1.203 17 HB2 ASP 3 HB2 ASP 3 5.887 21.321 -1.736 18 HB3 ASP 3 HB3 ASP 3 6.225 20.017 -0.602 19 H GLN 4 H GLN 4 8.766 23.031 0.723 20 HA GLN 4 HA GLN 4 9.253 21.090 2.820 21 HB2 GLN 4 HB2 GLN 4 11.563 21.743 3.179 22 HB3 GLN 4 HB3 GLN 4 11.363 21.120 1.550 23 HG2 GLN 4 HG2 GLN 4 11.367 23.382 0.666 24 HG3 GLN 4 HG3 GLN 4 11.498 24.031 2.300 25 HE21 GLN 4 HE21 GLN 4 13.437 25.062 1.857 26 HE22 GLN 4 HE22 GLN 4 14.921 24.191 1.679 27 H GLU 5 H GLU 5 9.604 22.059 4.893 28 HA GLU 5 HA GLU 5 9.174 24.929 5.129 29 HB2 GLU 5 HB2 GLU 5 7.255 24.649 6.629 30 HB3 GLU 5 HB3 GLU 5 6.900 23.973 5.045 31 HG2 GLU 5 HG2 GLU 5 7.431 21.735 5.916 32 HG3 GLU 5 HG3 GLU 5 7.706 22.460 7.498 33 H ALA 6 H ALA 6 10.113 25.751 7.002 34 HA ALA 6 HA ALA 6 11.622 23.876 8.606 35 HB1 ALA 6 HB1 ALA 6 12.681 25.901 7.762 36 HB2 ALA 6 HB2 ALA 6 12.669 25.864 9.528 37 HB3 ALA 6 HB3 ALA 6 11.516 26.878 8.654 38 H LYS 7 H LYS 7 10.436 22.903 10.121 39 HA LYS 7 HA LYS 7 9.067 24.522 12.094 40 HB2 LYS 7 HB2 LYS 7 7.063 22.928 11.872 41 HB3 LYS 7 HB3 LYS 7 7.247 24.187 10.661 42 HG2 LYS 7 HG2 LYS 7 6.767 22.398 9.331 43 HG3 LYS 7 HG3 LYS 7 8.528 22.317 9.353 44 HD2 LYS 7 HD2 LYS 7 7.799 20.114 9.709 45 HD3 LYS 7 HD3 LYS 7 8.260 20.705 11.306 46 HE2 LYS 7 HE2 LYS 7 6.173 19.517 11.472 47 HE3 LYS 7 HE3 LYS 7 5.888 21.231 11.757 48 HZ1 LYS 7 HZ1 LYS 7 5.185 21.409 9.389 49 HZ2 LYS 7 HZ2 LYS 7 4.192 20.402 10.316 50 HZ3 LYS 7 HZ3 LYS 7 5.315 19.725 9.258 51 HA PRO 8 HA PRO 8 10.520 21.378 14.871 52 HB2 PRO 8 HB2 PRO 8 8.492 21.147 16.668 53 HB3 PRO 8 HB3 PRO 8 9.553 22.558 16.604 54 HG2 PRO 8 HG2 PRO 8 6.817 22.196 15.435 55 HG3 PRO 8 HG3 PRO 8 7.466 23.565 16.358 56 HD2 PRO 8 HD2 PRO 8 7.295 23.628 13.682 57 HD3 PRO 8 HD3 PRO 8 8.642 24.395 14.547 58 H SER 9 H SER 9 9.035 19.475 16.307 59 HA SER 9 HA SER 9 7.673 17.857 14.303 60 HB2 SER 9 HB2 SER 9 9.949 16.796 16.000 61 HB3 SER 9 HB3 SER 9 9.018 15.895 14.804 62 HG SER 9 HG SER 9 10.595 18.182 14.237 63 H THR 10 H THR 10 6.048 16.606 15.172 64 HA THR 10 HA THR 10 5.922 16.258 18.051 65 HB THR 10 HB THR 10 3.654 17.520 16.475 66 HG1 THR 10 HG1 THR 10 5.809 18.575 17.740 67 HG21 THR 10 HG21 THR 10 3.931 16.933 19.435 68 HG22 THR 10 HG22 THR 10 2.883 16.068 18.311 69 HG23 THR 10 HG23 THR 10 2.576 17.767 18.674 70 H GLU 11 H GLU 11 5.039 14.335 18.592 71 HA GLU 11 HA GLU 11 3.591 12.827 16.549 72 HB2 GLU 11 HB2 GLU 11 4.871 10.795 17.281 73 HB3 GLU 11 HB3 GLU 11 5.821 11.983 16.399 74 HG2 GLU 11 HG2 GLU 11 6.635 12.831 18.601 75 HG3 GLU 11 HG3 GLU 11 5.817 11.464 19.359 76 H ASP 12 H ASP 12 2.751 10.683 17.723 77 HA ASP 12 HA ASP 12 1.098 11.708 19.816 78 HB2 ASP 12 HB2 ASP 12 -0.020 9.560 19.825 79 HB3 ASP 12 HB3 ASP 12 0.110 10.189 18.185 80 H LEU 13 H LEU 13 1.844 11.962 21.748 81 HA LEU 13 HA LEU 13 3.660 10.029 22.910 82 HB2 LEU 13 HB2 LEU 13 3.663 11.618 24.801 83 HB3 LEU 13 HB3 LEU 13 4.207 12.294 23.275 84 HG LEU 13 HG LEU 13 1.351 12.685 23.857 85 HD11 LEU 13 HD11 LEU 13 1.782 14.526 25.422 86 HD12 LEU 13 HD12 LEU 13 3.487 14.082 25.470 87 HD13 LEU 13 HD13 LEU 13 2.268 12.973 26.099 88 HD21 LEU 13 HD21 LEU 13 1.880 14.939 23.028 89 HD22 LEU 13 HD22 LEU 13 2.420 13.683 21.914 90 HD23 LEU 13 HD23 LEU 13 3.585 14.503 22.955 91 H GLY 14 H GLY 14 0.517 10.358 22.518 92 HA2 GLY 14 HA2 GLY 14 -0.936 8.591 23.412 93 HA3 GLY 14 HA3 GLY 14 -0.116 8.801 24.953 94 H ASP 15 H ASP 15 -0.279 11.811 24.298 95 HA ASP 15 HA ASP 15 -3.017 12.106 25.326 96 HB2 ASP 15 HB2 ASP 15 -0.654 13.952 25.708 97 HB3 ASP 15 HB3 ASP 15 -2.272 14.217 26.347 98 H LYS 16 H LYS 16 -0.716 14.318 23.757 99 HA LYS 16 HA LYS 16 -2.738 15.714 22.392 100 HB2 LYS 16 HB2 LYS 16 0.245 15.611 22.003 101 HB3 LYS 16 HB3 LYS 16 -0.801 16.642 21.037 102 HG2 LYS 16 HG2 LYS 16 -1.513 17.845 22.991 103 HG3 LYS 16 HG3 LYS 16 -0.626 16.738 24.038 104 HD2 LYS 16 HD2 LYS 16 1.473 17.504 23.173 105 HD3 LYS 16 HD3 LYS 16 0.666 18.460 21.929 106 HE2 LYS 16 HE2 LYS 16 1.469 19.828 23.825 107 HE3 LYS 16 HE3 LYS 16 -0.273 19.928 23.597 108 HZ1 LYS 16 HZ1 LYS 16 0.336 19.698 25.936 109 HZ2 LYS 16 HZ2 LYS 16 1.094 18.226 25.612 110 HZ3 LYS 16 HZ3 LYS 16 -0.573 18.376 25.413 111 H LYS 17 H LYS 17 -3.753 15.343 20.593 112 HA LYS 17 HA LYS 17 -3.289 12.898 19.144 113 HB2 LYS 17 HB2 LYS 17 -5.556 13.534 19.689 114 HB3 LYS 17 HB3 LYS 17 -5.360 15.080 18.881 115 HG2 LYS 17 HG2 LYS 17 -6.668 13.660 17.483 116 HG3 LYS 17 HG3 LYS 17 -5.085 13.859 16.736 117 HD2 LYS 17 HD2 LYS 17 -5.708 11.571 16.542 118 HD3 LYS 17 HD3 LYS 17 -4.420 11.667 17.744 119 HE2 LYS 17 HE2 LYS 17 -6.168 10.149 18.484 120 HE3 LYS 17 HE3 LYS 17 -6.110 11.565 19.531 121 HZ1 LYS 17 HZ1 LYS 17 -8.043 11.181 17.303 122 HZ2 LYS 17 HZ2 LYS 17 -8.021 12.468 18.400 123 HZ3 LYS 17 HZ3 LYS 17 -8.377 10.913 18.933 124 H GLU 18 H GLU 18 -2.294 12.698 17.232 125 HA GLU 18 HA GLU 18 -0.924 14.861 15.973 126 HB2 GLU 18 HB2 GLU 18 -1.621 12.220 14.674 127 HB3 GLU 18 HB3 GLU 18 -0.258 13.264 14.321 128 HG2 GLU 18 HG2 GLU 18 0.815 12.664 16.361 129 HG3 GLU 18 HG3 GLU 18 -0.619 11.797 16.916 130 H GLY 19 H GLY 19 -3.345 12.720 14.735 131 HA2 GLY 19 HA2 GLY 19 -5.105 14.798 13.806 132 HA3 GLY 19 HA3 GLY 19 -4.221 14.020 12.495 133 H GLU 20 H GLU 20 -6.379 13.360 11.778 134 HA GLU 20 HA GLU 20 -7.706 11.379 13.373 135 HB2 GLU 20 HB2 GLU 20 -8.268 12.351 10.570 136 HB3 GLU 20 HB3 GLU 20 -9.305 11.290 11.510 137 HG2 GLU 20 HG2 GLU 20 -8.641 14.165 12.077 138 HG3 GLU 20 HG3 GLU 20 -10.198 13.497 11.593 139 H TYR 21 H TYR 21 -8.225 9.277 12.444 140 HA TYR 21 HA TYR 21 -6.065 8.244 10.740 141 HB2 TYR 21 HB2 TYR 21 -7.380 6.812 13.065 142 HB3 TYR 21 HB3 TYR 21 -6.101 6.176 12.044 143 HD1 TYR 21 HD1 TYR 21 -6.768 9.072 14.337 144 HD2 TYR 21 HD2 TYR 21 -3.910 6.306 12.813 145 HE1 TYR 21 HE1 TYR 21 -5.112 9.900 15.939 146 HE2 TYR 21 HE2 TYR 21 -2.239 7.159 14.409 147 HH TYR 21 HH TYR 21 -1.824 9.280 15.727 148 H ILE 22 H ILE 22 -6.799 7.210 8.962 149 HA ILE 22 HA ILE 22 -9.610 6.409 8.994 150 HB ILE 22 HB ILE 22 -9.627 6.948 6.515 151 HG12 ILE 22 HG12 ILE 22 -7.938 8.976 6.123 152 HG13 ILE 22 HG13 ILE 22 -6.964 8.062 7.266 153 HG21 ILE 22 HG21 ILE 22 -9.320 9.213 8.474 154 HG22 ILE 22 HG22 ILE 22 -10.797 8.315 8.117 155 HG23 ILE 22 HG23 ILE 22 -10.065 9.335 6.881 156 HD11 ILE 22 HD11 ILE 22 -6.411 7.542 4.944 157 HD12 ILE 22 HD12 ILE 22 -8.068 6.986 4.681 158 HD13 ILE 22 HD13 ILE 22 -7.018 6.133 5.812 159 H LYS 23 H LYS 23 -10.186 4.583 7.810 160 HA LYS 23 HA LYS 23 -7.977 2.716 7.455 161 HB2 LYS 23 HB2 LYS 23 -9.587 0.955 7.552 162 HB3 LYS 23 HB3 LYS 23 -9.951 2.070 8.860 163 HG2 LYS 23 HG2 LYS 23 -11.879 2.838 7.846 164 HG3 LYS 23 HG3 LYS 23 -11.354 2.336 6.238 165 HD2 LYS 23 HD2 LYS 23 -11.530 -0.040 7.048 166 HD3 LYS 23 HD3 LYS 23 -12.310 0.600 8.498 167 HE2 LYS 23 HE2 LYS 23 -14.108 1.489 7.238 168 HE3 LYS 23 HE3 LYS 23 -13.278 1.182 5.713 169 HZ1 LYS 23 HZ1 LYS 23 -14.418 -0.825 7.576 170 HZ2 LYS 23 HZ2 LYS 23 -13.423 -1.222 6.271 171 HZ3 LYS 23 HZ3 LYS 23 -14.914 -0.469 5.994 172 H LEU 24 H LEU 24 -7.696 1.530 5.599 173 HA LEU 24 HA LEU 24 -9.247 2.332 3.250 174 HB2 LEU 24 HB2 LEU 24 -6.250 2.101 3.180 175 HB3 LEU 24 HB3 LEU 24 -7.317 2.733 1.950 176 HG LEU 24 HG LEU 24 -7.476 4.191 4.471 177 HD11 LEU 24 HD11 LEU 24 -5.353 5.327 4.208 178 HD12 LEU 24 HD12 LEU 24 -4.913 4.221 2.901 179 HD13 LEU 24 HD13 LEU 24 -5.136 3.609 4.545 180 HD21 LEU 24 HD21 LEU 24 -7.271 6.086 2.922 181 HD22 LEU 24 HD22 LEU 24 -8.551 4.959 2.477 182 HD23 LEU 24 HD23 LEU 24 -7.020 4.947 1.596 183 H LYS 25 H LYS 25 -8.231 0.889 1.333 184 HA LYS 25 HA LYS 25 -7.675 -1.794 2.226 185 HB2 LYS 25 HB2 LYS 25 -10.069 -1.822 2.390 186 HB3 LYS 25 HB3 LYS 25 -10.240 -1.022 0.840 187 HG2 LYS 25 HG2 LYS 25 -8.802 -3.558 0.679 188 HG3 LYS 25 HG3 LYS 25 -10.449 -3.719 1.291 189 HD2 LYS 25 HD2 LYS 25 -9.664 -2.316 -1.268 190 HD3 LYS 25 HD3 LYS 25 -10.328 -3.948 -1.165 191 HE2 LYS 25 HE2 LYS 25 -12.358 -3.021 -0.115 192 HE3 LYS 25 HE3 LYS 25 -11.696 -1.400 -0.299 193 HZ1 LYS 25 HZ1 LYS 25 -13.234 -1.895 -2.064 194 HZ2 LYS 25 HZ2 LYS 25 -12.370 -3.273 -2.501 195 HZ3 LYS 25 HZ3 LYS 25 -11.679 -1.744 -2.706 196 H VAL 26 H VAL 26 -6.731 -3.011 0.634 197 HA VAL 26 HA VAL 26 -6.487 -1.814 -2.028 198 HB VAL 26 HB VAL 26 -4.161 -1.756 -2.180 199 HG11 VAL 26 HG11 VAL 26 -4.620 -1.030 0.697 200 HG12 VAL 26 HG12 VAL 26 -4.980 0.002 -0.678 201 HG13 VAL 26 HG13 VAL 26 -3.309 -0.459 -0.334 202 HG21 VAL 26 HG21 VAL 26 -4.008 -3.450 0.280 203 HG22 VAL 26 HG22 VAL 26 -2.615 -2.783 -0.572 204 HG23 VAL 26 HG23 VAL 26 -3.666 -3.957 -1.372 205 H ILE 27 H ILE 27 -6.190 -3.247 -3.681 206 HA ILE 27 HA ILE 27 -6.295 -6.091 -2.908 207 HB ILE 27 HB ILE 27 -7.798 -4.789 -5.190 208 HG12 ILE 27 HG12 ILE 27 -8.951 -5.927 -2.657 209 HG13 ILE 27 HG13 ILE 27 -8.543 -4.224 -2.826 210 HG21 ILE 27 HG21 ILE 27 -8.950 -6.957 -5.354 211 HG22 ILE 27 HG22 ILE 27 -7.912 -7.598 -4.081 212 HG23 ILE 27 HG23 ILE 27 -7.215 -7.120 -5.628 213 HD11 ILE 27 HD11 ILE 27 -10.102 -4.049 -4.699 214 HD12 ILE 27 HD12 ILE 27 -10.899 -4.587 -3.223 215 HD13 ILE 27 HD13 ILE 27 -10.528 -5.749 -4.500 216 H GLY 28 H GLY 28 -5.164 -7.503 -4.200 217 HA2 GLY 28 HA2 GLY 28 -3.588 -6.242 -6.353 218 HA3 GLY 28 HA3 GLY 28 -2.870 -7.389 -5.226 219 H GLN 29 H GLN 29 -2.493 -8.002 -7.723 220 HA GLN 29 HA GLN 29 -4.549 -9.389 -9.067 221 HB2 GLN 29 HB2 GLN 29 -2.881 -10.127 -10.591 222 HB3 GLN 29 HB3 GLN 29 -2.452 -8.500 -10.097 223 HG2 GLN 29 HG2 GLN 29 -1.212 -11.027 -9.044 224 HG3 GLN 29 HG3 GLN 29 -0.503 -9.979 -10.272 225 HE21 GLN 29 HE21 GLN 29 -0.969 -10.560 -6.962 226 HE22 GLN 29 HE22 GLN 29 -0.090 -9.196 -6.357 227 H ASP 30 H ASP 30 -3.035 -10.205 -6.263 228 HA ASP 30 HA ASP 30 -2.959 -13.072 -6.650 229 HB2 ASP 30 HB2 ASP 30 -1.332 -11.974 -5.142 230 HB3 ASP 30 HB3 ASP 30 -2.652 -11.394 -4.139 231 H SER 31 H SER 31 -5.431 -10.861 -6.327 232 HA SER 31 HA SER 31 -7.573 -10.968 -5.811 233 HB2 SER 31 HB2 SER 31 -7.078 -13.944 -5.530 234 HB3 SER 31 HB3 SER 31 -8.670 -13.182 -5.572 235 HG SER 31 HG SER 31 -7.256 -12.285 -7.639 236 H SER 32 H SER 32 -5.399 -10.750 -3.795 237 HA SER 32 HA SER 32 -6.995 -11.329 -1.408 238 HB2 SER 32 HB2 SER 32 -4.774 -12.481 -1.533 239 HB3 SER 32 HB3 SER 32 -3.998 -10.901 -1.616 240 HG SER 32 HG SER 32 -5.132 -12.220 0.539 241 H GLU 33 H GLU 33 -6.570 -9.656 0.355 242 HA GLU 33 HA GLU 33 -5.943 -7.022 -0.629 243 HB2 GLU 33 HB2 GLU 33 -8.015 -5.990 -0.282 244 HB3 GLU 33 HB3 GLU 33 -8.429 -7.480 -1.112 245 HG2 GLU 33 HG2 GLU 33 -8.493 -7.356 1.872 246 HG3 GLU 33 HG3 GLU 33 -9.820 -6.694 0.928 247 H ILE 34 H ILE 34 -5.846 -5.443 1.088 248 HA ILE 34 HA ILE 34 -5.778 -6.606 3.785 249 HB ILE 34 HB ILE 34 -3.442 -6.429 2.959 250 HG12 ILE 34 HG12 ILE 34 -2.614 -4.799 4.809 251 HG13 ILE 34 HG13 ILE 34 -4.319 -4.679 5.232 252 HG21 ILE 34 HG21 ILE 34 -2.501 -4.087 2.763 253 HG22 ILE 34 HG22 ILE 34 -4.183 -3.568 2.556 254 HG23 ILE 34 HG23 ILE 34 -3.460 -4.721 1.430 255 HD11 ILE 34 HD11 ILE 34 -2.630 -7.157 5.199 256 HD12 ILE 34 HD12 ILE 34 -4.369 -7.133 5.500 257 HD13 ILE 34 HD13 ILE 34 -3.268 -6.320 6.615 258 H HIS 35 H HIS 35 -6.520 -5.284 5.397 259 HA HIS 35 HA HIS 35 -7.544 -2.632 4.598 260 HB2 HIS 35 HB2 HIS 35 -8.508 -4.327 6.914 261 HB3 HIS 35 HB3 HIS 35 -9.243 -2.854 6.305 262 HD1 HIS 35 HD1 HIS 35 -10.718 -5.605 6.628 263 HD2 HIS 35 HD2 HIS 35 -9.169 -4.105 3.081 264 HE1 HIS 35 HE1 HIS 35 -12.007 -6.750 4.794 265 HE2 HIS 35 HE2 HIS 35 -11.231 -5.618 2.686 266 H PHE 36 H PHE 36 -6.749 -0.895 5.737 267 HA PHE 36 HA PHE 36 -5.434 -1.411 8.290 268 HB2 PHE 36 HB2 PHE 36 -3.449 0.012 7.444 269 HB3 PHE 36 HB3 PHE 36 -3.511 -1.678 6.971 270 HD1 PHE 36 HD1 PHE 36 -4.038 1.770 5.822 271 HD2 PHE 36 HD2 PHE 36 -3.769 -2.319 4.714 272 HE1 PHE 36 HE1 PHE 36 -3.920 2.420 3.459 273 HE2 PHE 36 HE2 PHE 36 -3.651 -1.673 2.355 274 HZ PHE 36 HZ PHE 36 -3.733 0.699 1.724 275 HH31 ALY 37 HH31 ALY 37 -6.903 -0.927 17.022 276 HH32 ALY 37 HH32 ALY 37 -8.169 -2.107 17.422 277 HH33 ALY 37 HH33 ALY 37 -8.483 -0.366 17.547 278 HZ ALY 37 HZ ALY 37 -8.917 0.695 14.928 279 HE3 ALY 37 HE3 ALY 37 -6.274 0.465 14.391 280 HE2 ALY 37 HE2 ALY 37 -7.028 -0.785 13.398 281 HD3 ALY 37 HD3 ALY 37 -8.517 0.942 12.436 282 HD2 ALY 37 HD2 ALY 37 -7.641 2.163 13.359 283 HG3 ALY 37 HG3 ALY 37 -5.605 1.660 12.189 284 HG2 ALY 37 HG2 ALY 37 -6.382 0.310 11.353 285 HB3 ALY 37 HB3 ALY 37 -7.977 1.930 10.352 286 HB2 ALY 37 HB2 ALY 37 -7.064 3.231 11.095 287 HCA ALY 37 HCA ALY 37 -6.607 2.770 8.632 288 H ALY 37 H ALY 37 -5.272 0.365 9.621 289 H VAL 38 H VAL 38 -5.244 4.223 8.105 290 HA VAL 38 HA VAL 38 -2.743 4.443 9.622 291 HB VAL 38 HB VAL 38 -1.824 5.617 7.665 292 HG11 VAL 38 HG11 VAL 38 -3.062 2.944 7.035 293 HG12 VAL 38 HG12 VAL 38 -1.515 3.227 7.825 294 HG13 VAL 38 HG13 VAL 38 -1.739 3.686 6.136 295 HG21 VAL 38 HG21 VAL 38 -3.875 6.607 6.798 296 HG22 VAL 38 HG22 VAL 38 -4.482 5.008 6.373 297 HG23 VAL 38 HG23 VAL 38 -3.068 5.661 5.546 298 H LYS 39 H LYS 39 -1.981 6.954 8.909 299 HA LYS 39 HA LYS 39 -3.836 8.556 10.509 300 HB2 LYS 39 HB2 LYS 39 -1.033 9.259 9.624 301 HB3 LYS 39 HB3 LYS 39 -1.991 10.061 10.859 302 HG2 LYS 39 HG2 LYS 39 -1.849 8.097 12.276 303 HG3 LYS 39 HG3 LYS 39 -0.938 7.247 11.025 304 HD2 LYS 39 HD2 LYS 39 0.821 8.966 11.173 305 HD3 LYS 39 HD3 LYS 39 -0.083 9.754 12.470 306 HE2 LYS 39 HE2 LYS 39 0.094 7.695 13.803 307 HE3 LYS 39 HE3 LYS 39 1.053 6.962 12.519 308 HZ1 LYS 39 HZ1 LYS 39 2.727 8.655 12.833 309 HZ2 LYS 39 HZ2 LYS 39 2.430 7.865 14.298 310 HZ3 LYS 39 HZ3 LYS 39 1.792 9.409 14.032 311 H MET 40 H MET 40 -4.116 10.850 9.812 312 HA MET 40 HA MET 40 -5.054 11.139 7.221 313 HB2 MET 40 HB2 MET 40 -5.619 12.670 9.063 314 HB3 MET 40 HB3 MET 40 -3.977 13.289 9.057 315 HG2 MET 40 HG2 MET 40 -5.270 14.903 7.946 316 HG3 MET 40 HG3 MET 40 -4.403 14.044 6.680 317 HE1 MET 40 HE1 MET 40 -5.807 11.662 5.597 318 HE2 MET 40 HE2 MET 40 -5.503 13.100 4.628 319 HE3 MET 40 HE3 MET 40 -7.094 12.341 4.604 320 H THR 41 H THR 41 -1.839 11.790 8.555 321 HA THR 41 HA THR 41 -0.822 11.966 5.815 322 HB THR 41 HB THR 41 0.721 13.727 6.493 323 HG1 THR 41 HG1 THR 41 0.673 12.850 8.809 324 HG21 THR 41 HG21 THR 41 -0.789 15.552 6.826 325 HG22 THR 41 HG22 THR 41 -1.960 14.507 7.626 326 HG23 THR 41 HG23 THR 41 -1.688 14.343 5.902 327 H THR 42 H THR 42 0.574 10.214 5.582 328 HA THR 42 HA THR 42 2.696 9.713 7.371 329 HB THR 42 HB THR 42 0.780 8.704 8.702 330 HG1 THR 42 HG1 THR 42 2.611 7.772 9.345 331 HG21 THR 42 HG21 THR 42 -0.519 7.794 6.836 332 HG22 THR 42 HG22 THR 42 -0.063 6.513 7.964 333 HG23 THR 42 HG23 THR 42 0.810 6.699 6.441 334 H HIS 43 H HIS 43 3.821 7.559 6.746 335 HA HIS 43 HA HIS 43 3.884 7.507 3.843 336 HB2 HIS 43 HB2 HIS 43 5.681 6.209 5.892 337 HB3 HIS 43 HB3 HIS 43 5.914 6.101 4.152 338 HD1 HIS 43 HD1 HIS 43 7.275 7.810 6.846 339 HD2 HIS 43 HD2 HIS 43 5.895 9.054 3.134 340 HE1 HIS 43 HE1 HIS 43 8.405 10.015 6.414 341 HE2 HIS 43 HE2 HIS 43 7.346 10.859 4.291 342 H LEU 44 H LEU 44 2.900 6.054 2.680 343 HA LEU 44 HA LEU 44 1.313 4.008 3.786 344 HB2 LEU 44 HB2 LEU 44 2.168 4.440 0.935 345 HB3 LEU 44 HB3 LEU 44 0.912 3.329 1.442 346 HG LEU 44 HG LEU 44 0.887 6.334 1.599 347 HD11 LEU 44 HD11 LEU 44 -0.779 4.319 0.120 348 HD12 LEU 44 HD12 LEU 44 0.293 5.549 -0.553 349 HD13 LEU 44 HD13 LEU 44 -1.196 6.026 0.261 350 HD21 LEU 44 HD21 LEU 44 -1.365 6.108 2.610 351 HD22 LEU 44 HD22 LEU 44 -0.077 5.528 3.664 352 HD23 LEU 44 HD23 LEU 44 -1.084 4.377 2.784 353 H LYS 45 H LYS 45 4.613 3.957 3.280 354 HA LYS 45 HA LYS 45 5.133 1.378 2.364 355 HB2 LYS 45 HB2 LYS 45 6.776 3.275 2.781 356 HB3 LYS 45 HB3 LYS 45 6.737 2.821 4.475 357 HG2 LYS 45 HG2 LYS 45 7.373 0.750 2.439 358 HG3 LYS 45 HG3 LYS 45 8.610 1.923 2.868 359 HD2 LYS 45 HD2 LYS 45 7.141 0.150 4.816 360 HD3 LYS 45 HD3 LYS 45 8.752 -0.171 4.170 361 HE2 LYS 45 HE2 LYS 45 9.544 1.938 5.152 362 HE3 LYS 45 HE3 LYS 45 7.944 2.219 5.830 363 HZ1 LYS 45 HZ1 LYS 45 9.724 -0.066 6.473 364 HZ2 LYS 45 HZ2 LYS 45 8.178 0.179 7.121 365 HZ3 LYS 45 HZ3 LYS 45 9.425 1.267 7.465 366 H LYS 46 H LYS 46 4.041 2.502 5.491 367 HA LYS 46 HA LYS 46 4.619 0.167 6.972 368 HB2 LYS 46 HB2 LYS 46 3.170 1.069 8.675 369 HB3 LYS 46 HB3 LYS 46 4.096 2.387 7.978 370 HG2 LYS 46 HG2 LYS 46 2.037 3.364 8.074 371 HG3 LYS 46 HG3 LYS 46 1.945 2.641 6.468 372 HD2 LYS 46 HD2 LYS 46 -0.065 1.956 7.368 373 HD3 LYS 46 HD3 LYS 46 0.966 0.589 7.770 374 HE2 LYS 46 HE2 LYS 46 0.200 2.862 9.612 375 HE3 LYS 46 HE3 LYS 46 -0.399 1.206 9.678 376 HZ1 LYS 46 HZ1 LYS 46 1.332 1.663 11.325 377 HZ2 LYS 46 HZ2 LYS 46 2.439 1.994 10.100 378 HZ3 LYS 46 HZ3 LYS 46 1.789 0.440 10.258 379 H LEU 47 H LEU 47 2.123 0.899 4.682 380 HA LEU 47 HA LEU 47 0.393 -1.217 5.640 381 HB2 LEU 47 HB2 LEU 47 -1.184 -0.584 4.042 382 HB3 LEU 47 HB3 LEU 47 -0.443 0.926 4.521 383 HG LEU 47 HG LEU 47 1.049 0.481 2.386 384 HD11 LEU 47 HD11 LEU 47 -0.243 -0.544 0.578 385 HD12 LEU 47 HD12 LEU 47 -1.500 -0.992 1.733 386 HD13 LEU 47 HD13 LEU 47 0.110 -1.701 1.863 387 HD21 LEU 47 HD21 LEU 47 -0.541 1.824 1.100 388 HD22 LEU 47 HD22 LEU 47 -0.340 2.413 2.754 389 HD23 LEU 47 HD23 LEU 47 -1.779 1.495 2.315 390 H LYS 48 H LYS 48 2.803 -0.649 3.183 391 HA LYS 48 HA LYS 48 2.492 -3.015 1.687 392 HB2 LYS 48 HB2 LYS 48 4.831 -1.253 2.294 393 HB3 LYS 48 HB3 LYS 48 5.124 -2.814 1.549 394 HG2 LYS 48 HG2 LYS 48 5.047 -1.220 -0.170 395 HG3 LYS 48 HG3 LYS 48 3.539 -2.134 -0.266 396 HD2 LYS 48 HD2 LYS 48 2.326 -0.345 0.747 397 HD3 LYS 48 HD3 LYS 48 3.817 0.527 1.122 398 HE2 LYS 48 HE2 LYS 48 2.502 0.084 -1.532 399 HE3 LYS 48 HE3 LYS 48 3.016 1.601 -0.791 400 HZ1 LYS 48 HZ1 LYS 48 5.360 0.709 -1.008 401 HZ2 LYS 48 HZ2 LYS 48 4.601 1.116 -2.465 402 HZ3 LYS 48 HZ3 LYS 48 4.730 -0.499 -2.001 403 H GLU 49 H GLU 49 4.347 -2.335 4.603 404 HA GLU 49 HA GLU 49 5.462 -4.870 4.986 405 HB2 GLU 49 HB2 GLU 49 4.603 -2.932 7.133 406 HB3 GLU 49 HB3 GLU 49 5.818 -4.198 7.281 407 HG2 GLU 49 HG2 GLU 49 7.170 -3.065 5.597 408 HG3 GLU 49 HG3 GLU 49 5.973 -1.784 5.495 409 H SER 50 H SER 50 2.536 -3.462 6.391 410 HA SER 50 HA SER 50 1.700 -5.728 7.792 411 HB2 SER 50 HB2 SER 50 -0.029 -3.543 6.604 412 HB3 SER 50 HB3 SER 50 -0.488 -4.640 7.909 413 HG SER 50 HG SER 50 1.258 -2.458 7.930 414 H TYR 51 H TYR 51 1.489 -4.994 4.448 415 HA TYR 51 HA TYR 51 -0.577 -6.940 3.828 416 HB2 TYR 51 HB2 TYR 51 0.009 -4.879 2.389 417 HB3 TYR 51 HB3 TYR 51 1.394 -5.806 1.830 418 HD1 TYR 51 HD1 TYR 51 0.304 -8.476 1.407 419 HD2 TYR 51 HD2 TYR 51 -1.471 -4.705 0.611 420 HE1 TYR 51 HE1 TYR 51 -1.079 -9.507 -0.335 421 HE2 TYR 51 HE2 TYR 51 -2.880 -5.734 -1.145 422 HH TYR 51 HH TYR 51 -2.930 -7.641 -2.559 423 H CYS 52 H CYS 52 2.915 -6.722 3.311 424 HA CYS 52 HA CYS 52 3.256 -9.343 2.344 425 HB2 CYS 52 HB2 CYS 52 4.867 -7.484 2.025 426 HB3 CYS 52 HB3 CYS 52 5.299 -7.585 3.725 427 HG CYS 52 HG CYS 52 5.721 -10.126 1.485 428 H GLN 53 H GLN 53 3.161 -8.045 5.580 429 HA GLN 53 HA GLN 53 4.261 -10.347 6.852 430 HB2 GLN 53 HB2 GLN 53 2.692 -8.007 7.904 431 HB3 GLN 53 HB3 GLN 53 3.341 -9.277 8.933 432 HG2 GLN 53 HG2 GLN 53 5.040 -7.676 7.059 433 HG3 GLN 53 HG3 GLN 53 4.758 -7.168 8.721 434 HE21 GLN 53 HE21 GLN 53 6.890 -7.405 9.339 435 HE22 GLN 53 HE22 GLN 53 7.686 -8.935 9.453 436 H ARG 54 H ARG 54 0.958 -9.209 6.286 437 HA ARG 54 HA ARG 54 -0.181 -11.377 7.797 438 HB2 ARG 54 HB2 ARG 54 -1.325 -9.295 7.814 439 HB3 ARG 54 HB3 ARG 54 -1.392 -9.269 6.054 440 HG2 ARG 54 HG2 ARG 54 -2.960 -11.033 5.988 441 HG3 ARG 54 HG3 ARG 54 -2.727 -11.396 7.699 442 HD2 ARG 54 HD2 ARG 54 -3.843 -9.496 8.377 443 HD3 ARG 54 HD3 ARG 54 -3.683 -8.720 6.804 444 HE ARG 54 HE ARG 54 -5.215 -10.668 6.061 445 HH11 ARG 54 HH11 ARG 54 -5.443 -9.027 9.160 446 HH12 ARG 54 HH12 ARG 54 -7.146 -9.266 9.305 447 HH21 ARG 54 HH21 ARG 54 -7.474 -10.991 6.257 448 HH22 ARG 54 HH22 ARG 54 -8.305 -10.409 7.657 449 H GLN 55 H GLN 55 0.034 -10.542 4.353 450 HA GLN 55 HA GLN 55 -1.327 -13.006 3.679 451 HB2 GLN 55 HB2 GLN 55 -0.411 -10.630 2.118 452 HB3 GLN 55 HB3 GLN 55 -0.836 -12.118 1.284 453 HG2 GLN 55 HG2 GLN 55 -2.766 -10.759 1.251 454 HG3 GLN 55 HG3 GLN 55 -3.066 -12.008 2.450 455 HE21 GLN 55 HE21 GLN 55 -1.048 -9.161 2.922 456 HE22 GLN 55 HE22 GLN 55 -2.075 -8.423 4.098 457 H GLY 56 H GLY 56 1.843 -11.985 4.163 458 HA2 GLY 56 HA2 GLY 56 3.874 -13.009 3.859 459 HA3 GLY 56 HA3 GLY 56 2.969 -14.509 3.730 460 H VAL 57 H VAL 57 2.614 -11.809 1.522 461 HA VAL 57 HA VAL 57 3.722 -13.502 -0.605 462 HB VAL 57 HB VAL 57 2.331 -12.050 -2.168 463 HG11 VAL 57 HG11 VAL 57 0.240 -13.241 -1.694 464 HG12 VAL 57 HG12 VAL 57 0.872 -13.702 -0.114 465 HG13 VAL 57 HG13 VAL 57 1.643 -14.301 -1.581 466 HG21 VAL 57 HG21 VAL 57 1.011 -11.227 0.414 467 HG22 VAL 57 HG22 VAL 57 0.447 -10.838 -1.213 468 HG23 VAL 57 HG23 VAL 57 1.976 -10.182 -0.624 469 HA PRO 58 HA PRO 58 6.880 -10.545 -1.394 470 HB2 PRO 58 HB2 PRO 58 7.118 -10.603 -4.095 471 HB3 PRO 58 HB3 PRO 58 7.646 -11.932 -3.055 472 HG2 PRO 58 HG2 PRO 58 5.109 -11.652 -4.619 473 HG3 PRO 58 HG3 PRO 58 6.174 -13.060 -4.459 474 HD2 PRO 58 HD2 PRO 58 3.893 -12.809 -3.048 475 HD3 PRO 58 HD3 PRO 58 5.326 -13.627 -2.395 476 H MET 59 H MET 59 6.285 -8.497 -0.890 477 HA MET 59 HA MET 59 4.338 -7.042 -2.395 478 HB2 MET 59 HB2 MET 59 5.812 -6.671 0.088 479 HB3 MET 59 HB3 MET 59 5.609 -5.179 -0.820 480 HG2 MET 59 HG2 MET 59 3.828 -5.583 0.856 481 HG3 MET 59 HG3 MET 59 3.222 -5.406 -0.784 482 HE1 MET 59 HE1 MET 59 2.894 -8.181 -2.272 483 HE2 MET 59 HE2 MET 59 1.809 -6.841 -1.912 484 HE3 MET 59 HE3 MET 59 1.333 -8.487 -1.513 485 H ASN 60 H ASN 60 7.539 -7.672 -2.986 486 HA ASN 60 HA ASN 60 8.138 -5.096 -4.204 487 HB2 ASN 60 HB2 ASN 60 9.728 -7.666 -4.061 488 HB3 ASN 60 HB3 ASN 60 10.282 -6.224 -4.899 489 HD21 ASN 60 HD21 ASN 60 8.466 -6.038 -1.938 490 HD22 ASN 60 HD22 ASN 60 9.770 -5.517 -0.929 491 H SER 61 H SER 61 7.484 -8.416 -5.216 492 HA SER 61 HA SER 61 7.820 -8.224 -7.924 493 HB2 SER 61 HB2 SER 61 5.658 -9.795 -6.519 494 HB3 SER 61 HB3 SER 61 6.319 -10.121 -8.121 495 HG SER 61 HG SER 61 7.393 -11.447 -6.718 496 H LEU 62 H LEU 62 5.232 -6.801 -6.075 497 HA LEU 62 HA LEU 62 4.140 -5.806 -8.585 498 HB2 LEU 62 HB2 LEU 62 1.913 -5.658 -7.279 499 HB3 LEU 62 HB3 LEU 62 2.401 -7.175 -7.991 500 HG LEU 62 HG LEU 62 1.335 -7.291 -5.710 501 HD11 LEU 62 HD11 LEU 62 2.554 -9.151 -6.632 502 HD12 LEU 62 HD12 LEU 62 2.795 -9.035 -4.888 503 HD13 LEU 62 HD13 LEU 62 4.062 -8.501 -5.991 504 HD21 LEU 62 HD21 LEU 62 2.695 -6.840 -3.760 505 HD22 LEU 62 HD22 LEU 62 2.451 -5.369 -4.696 506 HD23 LEU 62 HD23 LEU 62 3.993 -6.222 -4.777 507 H ARG 63 H ARG 63 2.816 -3.749 -8.224 508 HA ARG 63 HA ARG 63 4.111 -2.155 -6.126 509 HB2 ARG 63 HB2 ARG 63 4.287 -0.243 -7.554 510 HB3 ARG 63 HB3 ARG 63 5.082 -1.597 -8.334 511 HG2 ARG 63 HG2 ARG 63 2.255 -0.927 -9.031 512 HG3 ARG 63 HG3 ARG 63 3.575 0.030 -9.700 513 HD2 ARG 63 HD2 ARG 63 4.521 -2.352 -10.311 514 HD3 ARG 63 HD3 ARG 63 2.818 -2.808 -10.195 515 HE ARG 63 HE ARG 63 3.521 -0.496 -11.831 516 HH11 ARG 63 HH11 ARG 63 2.520 -3.845 -11.788 517 HH12 ARG 63 HH12 ARG 63 2.023 -3.838 -13.444 518 HH21 ARG 63 HH21 ARG 63 2.880 -0.488 -13.995 519 HH22 ARG 63 HH22 ARG 63 2.212 -1.924 -14.702 520 H PHE 64 H PHE 64 2.914 -0.077 -5.670 521 HA PHE 64 HA PHE 64 0.058 -0.737 -5.547 522 HB2 PHE 64 HB2 PHE 64 1.800 0.766 -3.586 523 HB3 PHE 64 HB3 PHE 64 0.047 0.693 -3.468 524 HD1 PHE 64 HD1 PHE 64 2.946 -1.653 -3.837 525 HD2 PHE 64 HD2 PHE 64 -0.830 -0.877 -2.031 526 HE1 PHE 64 HE1 PHE 64 3.138 -3.739 -2.550 527 HE2 PHE 64 HE2 PHE 64 -0.638 -2.966 -0.743 528 HZ PHE 64 HZ PHE 64 1.340 -4.398 -1.001 529 H LEU 65 H LEU 65 -1.087 0.450 -6.855 530 HA LEU 65 HA LEU 65 -0.395 3.304 -7.193 531 HB2 LEU 65 HB2 LEU 65 -1.668 1.636 -9.336 532 HB3 LEU 65 HB3 LEU 65 -0.975 3.245 -9.484 533 HG LEU 65 HG LEU 65 0.584 0.694 -9.064 534 HD11 LEU 65 HD11 LEU 65 1.382 1.075 -11.334 535 HD12 LEU 65 HD12 LEU 65 0.341 2.491 -11.473 536 HD13 LEU 65 HD13 LEU 65 -0.371 0.887 -11.306 537 HD21 LEU 65 HD21 LEU 65 1.539 3.509 -9.533 538 HD22 LEU 65 HD22 LEU 65 2.552 2.071 -9.369 539 HD23 LEU 65 HD23 LEU 65 1.605 2.651 -7.994 540 H PHE 66 H PHE 66 -1.986 4.692 -6.930 541 HA PHE 66 HA PHE 66 -4.623 3.618 -6.233 542 HB2 PHE 66 HB2 PHE 66 -3.739 4.994 -4.493 543 HB3 PHE 66 HB3 PHE 66 -3.295 6.259 -5.616 544 HD1 PHE 66 HD1 PHE 66 -6.503 4.406 -5.406 545 HD2 PHE 66 HD2 PHE 66 -4.471 8.094 -4.822 546 HE1 PHE 66 HE1 PHE 66 -8.646 5.512 -5.014 547 HE2 PHE 66 HE2 PHE 66 -6.623 9.217 -4.415 548 HZ PHE 66 HZ PHE 66 -8.716 7.923 -4.511 549 H GLU 67 H GLU 67 -5.791 3.434 -8.030 550 HA GLU 67 HA GLU 67 -6.756 3.881 -10.034 551 HB2 GLU 67 HB2 GLU 67 -8.166 5.838 -10.051 552 HB3 GLU 67 HB3 GLU 67 -8.110 5.210 -8.422 553 HG2 GLU 67 HG2 GLU 67 -6.743 6.979 -7.673 554 HG3 GLU 67 HG3 GLU 67 -6.371 7.481 -9.321 555 H GLY 68 H GLY 68 -3.907 4.274 -10.079 556 HA2 GLY 68 HA2 GLY 68 -2.696 4.787 -12.108 557 HA3 GLY 68 HA3 GLY 68 -3.742 6.181 -12.320 558 H GLN 69 H GLN 69 -2.942 6.056 -9.103 559 HA GLN 69 HA GLN 69 -0.824 8.063 -9.396 560 HB2 GLN 69 HB2 GLN 69 -2.610 7.197 -7.143 561 HB3 GLN 69 HB3 GLN 69 -1.219 8.228 -6.864 562 HG2 GLN 69 HG2 GLN 69 -3.503 8.868 -8.699 563 HG3 GLN 69 HG3 GLN 69 -3.369 9.410 -7.027 564 HE21 GLN 69 HE21 GLN 69 -0.392 9.689 -7.383 565 HE22 GLN 69 HE22 GLN 69 -0.220 11.195 -8.202 566 H ARG 70 H ARG 70 1.305 7.482 -8.965 567 HA ARG 70 HA ARG 70 1.650 4.807 -8.018 568 HB2 ARG 70 HB2 ARG 70 3.973 5.099 -8.632 569 HB3 ARG 70 HB3 ARG 70 2.881 5.536 -9.940 570 HG2 ARG 70 HG2 ARG 70 3.206 7.899 -9.393 571 HG3 ARG 70 HG3 ARG 70 4.361 7.428 -8.146 572 HD2 ARG 70 HD2 ARG 70 5.728 6.337 -9.822 573 HD3 ARG 70 HD3 ARG 70 4.567 6.792 -11.067 574 HE ARG 70 HE ARG 70 5.117 9.164 -10.402 575 HH11 ARG 70 HH11 ARG 70 7.447 6.563 -10.065 576 HH12 ARG 70 HH12 ARG 70 8.819 7.602 -10.194 577 HH21 ARG 70 HH21 ARG 70 6.940 10.540 -10.598 578 HH22 ARG 70 HH22 ARG 70 8.534 9.867 -10.510 579 H ILE 71 H ILE 71 1.935 4.286 -6.061 580 HA ILE 71 HA ILE 71 2.946 6.266 -4.151 581 HB ILE 71 HB ILE 71 1.365 3.719 -3.693 582 HG12 ILE 71 HG12 ILE 71 -0.248 5.368 -2.588 583 HG13 ILE 71 HG13 ILE 71 0.691 6.649 -3.339 584 HG21 ILE 71 HG21 ILE 71 1.441 4.172 -1.323 585 HG22 ILE 71 HG22 ILE 71 2.401 5.625 -1.599 586 HG23 ILE 71 HG23 ILE 71 3.082 4.037 -1.952 587 HD11 ILE 71 HD11 ILE 71 0.122 5.761 -5.547 588 HD12 ILE 71 HD12 ILE 71 -1.318 6.136 -4.608 589 HD13 ILE 71 HD13 ILE 71 -0.795 4.463 -4.785 590 H ALA 72 H ALA 72 5.188 6.029 -4.430 591 HA ALA 72 HA ALA 72 6.214 3.309 -4.210 592 HB1 ALA 72 HB1 ALA 72 7.105 4.715 -6.005 593 HB2 ALA 72 HB2 ALA 72 8.365 4.235 -4.870 594 HB3 ALA 72 HB3 ALA 72 7.697 5.866 -4.808 595 H ASP 73 H ASP 73 5.421 3.296 -2.017 596 HA ASP 73 HA ASP 73 5.641 3.315 0.233 597 HB2 ASP 73 HB2 ASP 73 8.494 2.949 -0.645 598 HB3 ASP 73 HB3 ASP 73 7.910 2.644 0.995 599 H ASN 74 H ASN 74 5.683 6.030 -0.831 600 HA ASN 74 HA ASN 74 6.680 7.268 1.583 601 HB2 ASN 74 HB2 ASN 74 8.015 8.978 0.567 602 HB3 ASN 74 HB3 ASN 74 8.592 7.433 -0.041 603 HD21 ASN 74 HD21 ASN 74 8.424 6.992 -2.184 604 HD22 ASN 74 HD22 ASN 74 7.923 8.153 -3.355 605 H HIS 75 H HIS 75 4.699 7.310 -1.245 606 HA HIS 75 HA HIS 75 3.596 9.857 -1.050 607 HB2 HIS 75 HB2 HIS 75 3.236 7.639 -2.679 608 HB3 HIS 75 HB3 HIS 75 1.676 7.837 -1.890 609 HD1 HIS 75 HD1 HIS 75 2.978 8.640 -4.946 610 HD2 HIS 75 HD2 HIS 75 1.262 10.990 -1.976 611 HE1 HIS 75 HE1 HIS 75 2.225 10.737 -6.087 612 HE2 HIS 75 HE2 HIS 75 1.002 12.032 -4.326 613 H THR 76 H THR 76 1.704 10.592 -0.092 614 HA THR 76 HA THR 76 0.901 9.057 2.273 615 HB THR 76 HB THR 76 0.334 11.270 3.271 616 HG1 THR 76 HG1 THR 76 1.851 12.725 1.544 617 HG21 THR 76 HG21 THR 76 2.642 11.992 3.655 618 HG22 THR 76 HG22 THR 76 3.175 11.035 2.270 619 HG23 THR 76 HG23 THR 76 2.523 10.230 3.696 620 HA PRO 77 HA PRO 77 -3.264 8.891 0.846 621 HB2 PRO 77 HB2 PRO 77 -4.662 9.274 3.168 622 HB3 PRO 77 HB3 PRO 77 -3.838 7.761 2.773 623 HG2 PRO 77 HG2 PRO 77 -2.915 10.020 4.513 624 HG3 PRO 77 HG3 PRO 77 -2.811 8.271 4.799 625 HD2 PRO 77 HD2 PRO 77 -0.703 9.699 3.941 626 HD3 PRO 77 HD3 PRO 77 -0.977 8.030 3.401 627 H LYS 78 H LYS 78 -2.196 11.633 2.654 628 HA LYS 78 HA LYS 78 -4.537 13.237 2.178 629 HB2 LYS 78 HB2 LYS 78 -3.262 15.006 3.290 630 HB3 LYS 78 HB3 LYS 78 -3.175 13.514 4.212 631 HG2 LYS 78 HG2 LYS 78 -0.962 13.959 4.286 632 HG3 LYS 78 HG3 LYS 78 -0.962 13.294 2.658 633 HD2 LYS 78 HD2 LYS 78 -1.362 15.600 1.796 634 HD3 LYS 78 HD3 LYS 78 -1.140 16.178 3.452 635 HE2 LYS 78 HE2 LYS 78 1.105 15.369 3.501 636 HE3 LYS 78 HE3 LYS 78 0.903 14.572 1.944 637 HZ1 LYS 78 HZ1 LYS 78 2.111 16.732 1.845 638 HZ2 LYS 78 HZ2 LYS 78 0.692 17.519 2.307 639 HZ3 LYS 78 HZ3 LYS 78 0.752 16.661 0.842 640 H GLU 79 H GLU 79 -1.412 12.723 0.750 641 HA GLU 79 HA GLU 79 -1.444 15.047 -0.919 642 HB2 GLU 79 HB2 GLU 79 0.581 13.774 -0.075 643 HB3 GLU 79 HB3 GLU 79 0.181 12.535 -1.252 644 HG2 GLU 79 HG2 GLU 79 1.751 13.775 -2.374 645 HG3 GLU 79 HG3 GLU 79 0.246 14.503 -2.937 646 H LEU 80 H LEU 80 -2.393 11.711 -1.133 647 HA LEU 80 HA LEU 80 -2.821 11.685 -3.973 648 HB2 LEU 80 HB2 LEU 80 -3.754 9.818 -1.800 649 HB3 LEU 80 HB3 LEU 80 -3.855 9.506 -3.521 650 HG LEU 80 HG LEU 80 -1.211 10.005 -2.177 651 HD11 LEU 80 HD11 LEU 80 -2.345 8.177 -1.016 652 HD12 LEU 80 HD12 LEU 80 -0.953 7.616 -1.944 653 HD13 LEU 80 HD13 LEU 80 -2.590 7.352 -2.557 654 HD21 LEU 80 HD21 LEU 80 -0.366 8.752 -4.090 655 HD22 LEU 80 HD22 LEU 80 -1.302 10.148 -4.621 656 HD23 LEU 80 HD23 LEU 80 -2.011 8.535 -4.693 657 H GLY 81 H GLY 81 -4.569 12.870 -1.287 658 HA2 GLY 81 HA2 GLY 81 -6.578 14.007 -1.287 659 HA3 GLY 81 HA3 GLY 81 -6.731 13.648 -2.997 660 H MET 82 H MET 82 -6.272 10.952 -0.800 661 HA MET 82 HA MET 82 -8.988 10.137 -1.538 662 HB2 MET 82 HB2 MET 82 -8.315 7.862 -1.158 663 HB3 MET 82 HB3 MET 82 -7.124 8.635 -2.187 664 HG2 MET 82 HG2 MET 82 -5.670 8.926 -0.204 665 HG3 MET 82 HG3 MET 82 -6.852 8.027 0.747 666 HE1 MET 82 HE1 MET 82 -4.146 5.277 0.468 667 HE2 MET 82 HE2 MET 82 -5.251 6.155 1.524 668 HE3 MET 82 HE3 MET 82 -3.900 6.997 0.761 669 H GLU 83 H GLU 83 -10.090 8.670 0.160 670 HA GLU 83 HA GLU 83 -9.618 9.723 2.859 671 HB2 GLU 83 HB2 GLU 83 -12.132 9.809 3.182 672 HB3 GLU 83 HB3 GLU 83 -11.442 11.055 2.165 673 HG2 GLU 83 HG2 GLU 83 -12.607 8.569 0.994 674 HG3 GLU 83 HG3 GLU 83 -13.627 9.933 1.440 675 H GLU 84 H GLU 84 -11.695 8.387 4.191 676 HA GLU 84 HA GLU 84 -10.466 5.873 4.544 677 HB2 GLU 84 HB2 GLU 84 -12.151 5.399 6.181 678 HB3 GLU 84 HB3 GLU 84 -11.690 7.088 6.337 679 HG2 GLU 84 HG2 GLU 84 -13.706 7.804 5.262 680 HG3 GLU 84 HG3 GLU 84 -14.135 6.143 4.859 681 H GLU 85 H GLU 85 -11.589 3.775 4.487 682 HA GLU 85 HA GLU 85 -12.396 2.041 3.268 683 HB2 GLU 85 HB2 GLU 85 -14.513 3.305 4.011 684 HB3 GLU 85 HB3 GLU 85 -14.588 3.910 2.366 685 HG2 GLU 85 HG2 GLU 85 -16.057 2.049 2.524 686 HG3 GLU 85 HG3 GLU 85 -14.662 1.544 1.577 687 H ASP 86 H ASP 86 -10.498 3.889 1.963 688 HA ASP 86 HA ASP 86 -11.409 4.118 -0.753 689 HB2 ASP 86 HB2 ASP 86 -9.606 5.517 0.703 690 HB3 ASP 86 HB3 ASP 86 -8.543 4.473 -0.237 691 H VAL 87 H VAL 87 -9.912 3.358 -2.534 692 HA VAL 87 HA VAL 87 -9.005 0.644 -1.915 693 HB VAL 87 HB VAL 87 -11.178 0.439 -2.976 694 HG11 VAL 87 HG11 VAL 87 -11.273 2.556 -4.163 695 HG12 VAL 87 HG12 VAL 87 -11.595 1.215 -5.262 696 HG13 VAL 87 HG13 VAL 87 -10.019 2.006 -5.275 697 HG21 VAL 87 HG21 VAL 87 -10.575 -0.991 -4.877 698 HG22 VAL 87 HG22 VAL 87 -9.521 -1.266 -3.490 699 HG23 VAL 87 HG23 VAL 87 -8.946 -0.316 -4.859 700 H ILE 88 H ILE 88 -7.081 0.206 -2.530 701 HA ILE 88 HA ILE 88 -5.755 1.902 -4.541 702 HB ILE 88 HB ILE 88 -4.377 0.190 -2.463 703 HG12 ILE 88 HG12 ILE 88 -5.673 2.018 -1.385 704 HG13 ILE 88 HG13 ILE 88 -3.937 2.213 -1.184 705 HG21 ILE 88 HG21 ILE 88 -2.380 1.458 -3.060 706 HG22 ILE 88 HG22 ILE 88 -3.319 2.372 -4.244 707 HG23 ILE 88 HG23 ILE 88 -3.071 0.644 -4.468 708 HD11 ILE 88 HD11 ILE 88 -5.066 4.321 -1.663 709 HD12 ILE 88 HD12 ILE 88 -5.633 3.664 -3.200 710 HD13 ILE 88 HD13 ILE 88 -3.906 3.889 -2.917 711 H GLU 89 H GLU 89 -4.467 0.848 -6.105 712 HA GLU 89 HA GLU 89 -5.349 -1.910 -6.555 713 HB2 GLU 89 HB2 GLU 89 -4.416 0.000 -8.667 714 HB3 GLU 89 HB3 GLU 89 -5.343 -1.485 -8.861 715 HG2 GLU 89 HG2 GLU 89 -7.203 -0.374 -7.601 716 HG3 GLU 89 HG3 GLU 89 -6.268 1.106 -7.679 717 H VAL 90 H VAL 90 -3.864 -3.416 -6.713 718 HA VAL 90 HA VAL 90 -1.070 -2.565 -6.766 719 HB VAL 90 HB VAL 90 -2.261 -5.129 -5.676 720 HG11 VAL 90 HG11 VAL 90 0.580 -4.149 -5.668 721 HG12 VAL 90 HG12 VAL 90 -0.055 -5.517 -6.582 722 HG13 VAL 90 HG13 VAL 90 -0.014 -5.576 -4.820 723 HG21 VAL 90 HG21 VAL 90 -1.579 -4.269 -3.493 724 HG22 VAL 90 HG22 VAL 90 -2.753 -3.207 -4.272 725 HG23 VAL 90 HG23 VAL 90 -1.044 -2.773 -4.255 726 H TYR 91 H TYR 91 -0.057 -2.910 -8.570 727 HA TYR 91 HA TYR 91 -1.122 -4.907 -10.450 728 HB2 TYR 91 HB2 TYR 91 0.526 -2.438 -10.927 729 HB3 TYR 91 HB3 TYR 91 0.032 -3.558 -12.182 730 HD1 TYR 91 HD1 TYR 91 -2.388 -3.699 -12.793 731 HD2 TYR 91 HD2 TYR 91 -0.934 -0.837 -10.019 732 HE1 TYR 91 HE1 TYR 91 -4.456 -2.393 -13.066 733 HE2 TYR 91 HE2 TYR 91 -2.995 0.476 -10.281 734 HH TYR 91 HH TYR 91 -5.753 -0.608 -11.483 735 H GLN 92 H GLN 92 0.235 -6.391 -11.358 736 HA GLN 92 HA GLN 92 2.617 -6.959 -9.865 737 HB2 GLN 92 HB2 GLN 92 0.825 -8.583 -10.858 738 HB3 GLN 92 HB3 GLN 92 1.798 -8.467 -12.313 739 HG2 GLN 92 HG2 GLN 92 2.849 -9.325 -9.627 740 HG3 GLN 92 HG3 GLN 92 2.300 -10.432 -10.878 741 HE21 GLN 92 HE21 GLN 92 4.891 -10.160 -9.627 742 HE22 GLN 92 HE22 GLN 92 6.024 -9.862 -10.897 743 H GLU 93 H GLU 93 4.523 -6.211 -10.310 744 HA GLU 93 HA GLU 93 5.686 -6.255 -12.865 745 HB2 GLU 93 HB2 GLU 93 4.581 -4.275 -13.372 746 HB3 GLU 93 HB3 GLU 93 4.870 -3.559 -11.797 747 HG2 GLU 93 HG2 GLU 93 7.326 -3.566 -12.406 748 HG3 GLU 93 HG3 GLU 93 6.842 -4.044 -14.028 749 H GLN 94 H GLN 94 7.443 -7.174 -12.176 750 HA GLN 94 HA GLN 94 8.538 -6.950 -9.612 751 HB2 GLN 94 HB2 GLN 94 8.914 -8.814 -11.265 752 HB3 GLN 94 HB3 GLN 94 10.007 -7.748 -12.130 753 HG2 GLN 94 HG2 GLN 94 11.147 -9.365 -10.656 754 HG3 GLN 94 HG3 GLN 94 11.512 -7.683 -10.272 755 HE21 GLN 94 HE21 GLN 94 9.765 -10.535 -9.275 756 HE22 GLN 94 HE22 GLN 94 9.511 -10.045 -7.634 757 H THR 95 H THR 95 10.644 -5.989 -8.985 758 HA THR 95 HA THR 95 10.977 -3.436 -10.359 759 HB THR 95 HB THR 95 12.017 -2.771 -8.089 760 HG1 THR 95 HG1 THR 95 10.342 -4.820 -7.071 761 HG21 THR 95 HG21 THR 95 9.874 -1.897 -8.876 762 HG22 THR 95 HG22 THR 95 9.803 -2.230 -7.145 763 HG23 THR 95 HG23 THR 95 9.053 -3.343 -8.289 764 H GLY 96 H GLY 96 13.122 -2.674 -10.696 765 HA2 GLY 96 HA2 GLY 96 15.515 -3.448 -9.984 766 HA3 GLY 96 HA3 GLY 96 15.043 -4.871 -10.903 767 H GLY 97 H GLY 97 13.607 -3.624 -12.954 768 HA2 GLY 97 HA2 GLY 97 13.845 -2.199 -14.793 769 HA3 GLY 97 HA3 GLY 97 15.396 -1.670 -14.154 Start of MODEL 5 1 H MET 1 H MET 1 -14.211 -13.693 13.030 2 HA MET 1 HA MET 1 -14.693 -13.603 15.950 3 HB2 MET 1 HB2 MET 1 -15.376 -15.885 15.820 4 HB3 MET 1 HB3 MET 1 -16.303 -14.999 14.619 5 HG2 MET 1 HG2 MET 1 -14.889 -15.807 12.858 6 HG3 MET 1 HG3 MET 1 -13.831 -16.589 14.031 7 HE1 MET 1 HE1 MET 1 -15.474 -19.666 12.289 8 HE2 MET 1 HE2 MET 1 -13.965 -18.899 12.779 9 HE3 MET 1 HE3 MET 1 -14.972 -18.150 11.539 10 H SER 2 H SER 2 -12.255 -13.395 13.825 11 HA SER 2 HA SER 2 -10.635 -15.597 14.743 12 HB2 SER 2 HB2 SER 2 -9.838 -13.226 13.043 13 HB3 SER 2 HB3 SER 2 -8.965 -14.749 13.217 14 HG SER 2 HG SER 2 -10.476 -15.780 12.046 15 H ASP 3 H ASP 3 -10.406 -15.270 16.938 16 HA ASP 3 HA ASP 3 -9.337 -14.637 18.827 17 HB2 ASP 3 HB2 ASP 3 -7.296 -14.458 17.455 18 HB3 ASP 3 HB3 ASP 3 -7.709 -12.790 17.075 19 H GLN 4 H GLN 4 -10.775 -12.334 16.869 20 HA GLN 4 HA GLN 4 -11.176 -10.529 19.144 21 HB2 GLN 4 HB2 GLN 4 -11.624 -8.773 17.416 22 HB3 GLN 4 HB3 GLN 4 -9.977 -9.386 17.397 23 HG2 GLN 4 HG2 GLN 4 -10.680 -10.909 15.529 24 HG3 GLN 4 HG3 GLN 4 -12.202 -10.023 15.487 25 HE21 GLN 4 HE21 GLN 4 -8.783 -9.882 14.895 26 HE22 GLN 4 HE22 GLN 4 -8.798 -8.439 13.945 27 H GLU 5 H GLU 5 -13.259 -9.757 19.510 28 HA GLU 5 HA GLU 5 -15.423 -11.059 18.022 29 HB2 GLU 5 HB2 GLU 5 -16.561 -11.660 20.059 30 HB3 GLU 5 HB3 GLU 5 -14.939 -12.325 20.123 31 HG2 GLU 5 HG2 GLU 5 -15.779 -9.772 21.497 32 HG3 GLU 5 HG3 GLU 5 -15.751 -11.352 22.271 33 H ALA 6 H ALA 6 -17.612 -10.038 18.946 34 HA ALA 6 HA ALA 6 -17.325 -7.191 18.626 35 HB1 ALA 6 HB1 ALA 6 -19.151 -8.397 17.505 36 HB2 ALA 6 HB2 ALA 6 -19.762 -7.151 18.593 37 HB3 ALA 6 HB3 ALA 6 -19.811 -8.846 19.077 38 H LYS 7 H LYS 7 -16.080 -6.941 20.593 39 HA LYS 7 HA LYS 7 -17.365 -7.362 23.118 40 HB2 LYS 7 HB2 LYS 7 -15.345 -6.137 24.029 41 HB3 LYS 7 HB3 LYS 7 -15.006 -7.599 23.128 42 HG2 LYS 7 HG2 LYS 7 -13.378 -6.143 22.368 43 HG3 LYS 7 HG3 LYS 7 -14.614 -6.013 21.122 44 HD2 LYS 7 HD2 LYS 7 -13.739 -3.812 21.717 45 HD3 LYS 7 HD3 LYS 7 -15.438 -3.948 22.171 46 HE2 LYS 7 HE2 LYS 7 -14.878 -4.274 24.465 47 HE3 LYS 7 HE3 LYS 7 -13.154 -4.409 24.091 48 HZ1 LYS 7 HZ1 LYS 7 -13.634 -2.255 24.980 49 HZ2 LYS 7 HZ2 LYS 7 -14.880 -2.011 23.870 50 HZ3 LYS 7 HZ3 LYS 7 -13.277 -2.056 23.333 51 HA PRO 8 HA PRO 8 -19.597 -3.604 23.516 52 HB2 PRO 8 HB2 PRO 8 -19.491 -3.182 26.196 53 HB3 PRO 8 HB3 PRO 8 -20.466 -4.463 25.466 54 HG2 PRO 8 HG2 PRO 8 -17.758 -4.637 26.728 55 HG3 PRO 8 HG3 PRO 8 -19.151 -5.718 26.918 56 HD2 PRO 8 HD2 PRO 8 -17.080 -6.309 25.291 57 HD3 PRO 8 HD3 PRO 8 -18.745 -6.796 24.919 58 H SER 9 H SER 9 -19.417 -1.466 24.939 59 HA SER 9 HA SER 9 -16.691 -0.447 25.068 60 HB2 SER 9 HB2 SER 9 -17.547 -0.114 22.700 61 HB3 SER 9 HB3 SER 9 -18.797 0.927 23.377 62 HG SER 9 HG SER 9 -17.397 2.465 23.390 63 H THR 10 H THR 10 -16.455 1.305 26.408 64 HA THR 10 HA THR 10 -18.517 1.649 28.336 65 HB THR 10 HB THR 10 -16.746 3.336 29.177 66 HG1 THR 10 HG1 THR 10 -14.801 3.248 28.215 67 HG21 THR 10 HG21 THR 10 -16.125 0.388 28.970 68 HG22 THR 10 HG22 THR 10 -17.137 1.146 30.201 69 HG23 THR 10 HG23 THR 10 -15.410 1.501 30.136 70 H GLU 11 H GLU 11 -18.458 4.211 29.116 71 HA GLU 11 HA GLU 11 -20.090 5.542 27.199 72 HB2 GLU 11 HB2 GLU 11 -18.852 6.649 29.726 73 HB3 GLU 11 HB3 GLU 11 -20.175 7.369 28.823 74 HG2 GLU 11 HG2 GLU 11 -20.229 4.752 30.307 75 HG3 GLU 11 HG3 GLU 11 -21.008 6.258 30.789 76 H ASP 12 H ASP 12 -19.589 8.039 26.897 77 HA ASP 12 HA ASP 12 -17.282 8.176 25.239 78 HB2 ASP 12 HB2 ASP 12 -19.412 10.126 26.018 79 HB3 ASP 12 HB3 ASP 12 -17.954 10.703 25.220 80 H LEU 13 H LEU 13 -15.770 10.042 25.388 81 HA LEU 13 HA LEU 13 -15.116 11.078 27.947 82 HB2 LEU 13 HB2 LEU 13 -12.850 9.936 28.064 83 HB3 LEU 13 HB3 LEU 13 -14.240 8.978 28.519 84 HG LEU 13 HG LEU 13 -14.147 8.021 26.142 85 HD11 LEU 13 HD11 LEU 13 -11.376 9.190 26.262 86 HD12 LEU 13 HD12 LEU 13 -12.658 9.659 25.148 87 HD13 LEU 13 HD13 LEU 13 -11.961 8.041 25.060 88 HD21 LEU 13 HD21 LEU 13 -12.442 6.377 26.781 89 HD22 LEU 13 HD22 LEU 13 -13.543 6.742 28.110 90 HD23 LEU 13 HD23 LEU 13 -11.922 7.438 28.088 91 H GLY 14 H GLY 14 -13.192 12.420 27.893 92 HA2 GLY 14 HA2 GLY 14 -12.642 13.351 25.146 93 HA3 GLY 14 HA3 GLY 14 -12.637 14.385 26.571 94 H ASP 15 H ASP 15 -11.309 11.311 27.045 95 HA ASP 15 HA ASP 15 -8.726 12.353 27.616 96 HB2 ASP 15 HB2 ASP 15 -9.680 10.483 28.873 97 HB3 ASP 15 HB3 ASP 15 -9.694 9.499 27.416 98 H LYS 16 H LYS 16 -10.184 11.149 24.775 99 HA LYS 16 HA LYS 16 -7.905 10.094 23.496 100 HB2 LYS 16 HB2 LYS 16 -10.554 11.083 22.522 101 HB3 LYS 16 HB3 LYS 16 -9.293 10.656 21.374 102 HG2 LYS 16 HG2 LYS 16 -10.546 8.844 23.430 103 HG3 LYS 16 HG3 LYS 16 -10.778 8.787 21.679 104 HD2 LYS 16 HD2 LYS 16 -8.297 8.418 21.473 105 HD3 LYS 16 HD3 LYS 16 -8.255 8.222 23.224 106 HE2 LYS 16 HE2 LYS 16 -9.806 6.347 23.052 107 HE3 LYS 16 HE3 LYS 16 -9.851 6.547 21.298 108 HZ1 LYS 16 HZ1 LYS 16 -8.296 4.851 21.734 109 HZ2 LYS 16 HZ2 LYS 16 -7.552 5.727 22.971 110 HZ3 LYS 16 HZ3 LYS 16 -7.372 6.230 21.365 111 H LYS 17 H LYS 17 -6.397 10.970 22.223 112 HA LYS 17 HA LYS 17 -6.455 13.863 21.804 113 HB2 LYS 17 HB2 LYS 17 -4.212 14.185 22.652 114 HB3 LYS 17 HB3 LYS 17 -5.239 13.507 23.905 115 HG2 LYS 17 HG2 LYS 17 -3.384 11.842 22.220 116 HG3 LYS 17 HG3 LYS 17 -2.907 12.569 23.755 117 HD2 LYS 17 HD2 LYS 17 -4.351 11.229 24.980 118 HD3 LYS 17 HD3 LYS 17 -5.362 10.863 23.589 119 HE2 LYS 17 HE2 LYS 17 -4.149 8.905 24.037 120 HE3 LYS 17 HE3 LYS 17 -3.398 9.655 22.626 121 HZ1 LYS 17 HZ1 LYS 17 -1.650 10.505 24.002 122 HZ2 LYS 17 HZ2 LYS 17 -1.778 8.843 24.282 123 HZ3 LYS 17 HZ3 LYS 17 -2.396 9.939 25.405 124 H GLU 18 H GLU 18 -5.917 10.848 20.602 125 HA GLU 18 HA GLU 18 -3.749 11.206 18.878 126 HB2 GLU 18 HB2 GLU 18 -6.194 9.487 18.431 127 HB3 GLU 18 HB3 GLU 18 -4.659 9.327 17.594 128 HG2 GLU 18 HG2 GLU 18 -4.427 7.682 19.144 129 HG3 GLU 18 HG3 GLU 18 -3.751 9.030 20.056 130 H GLY 19 H GLY 19 -3.741 11.541 16.596 131 HA2 GLY 19 HA2 GLY 19 -5.335 13.790 15.828 132 HA3 GLY 19 HA3 GLY 19 -4.140 12.971 14.835 133 H GLU 20 H GLU 20 -5.582 13.197 13.068 134 HA GLU 20 HA GLU 20 -8.056 11.670 13.222 135 HB2 GLU 20 HB2 GLU 20 -6.990 13.496 11.077 136 HB3 GLU 20 HB3 GLU 20 -8.500 12.603 10.949 137 HG2 GLU 20 HG2 GLU 20 -9.301 13.750 12.986 138 HG3 GLU 20 HG3 GLU 20 -7.822 14.707 12.989 139 H TYR 21 H TYR 21 -8.149 9.668 12.633 140 HA TYR 21 HA TYR 21 -6.197 8.667 10.691 141 HB2 TYR 21 HB2 TYR 21 -6.574 6.428 11.989 142 HB3 TYR 21 HB3 TYR 21 -5.455 7.626 12.623 143 HD1 TYR 21 HD1 TYR 21 -8.790 6.106 13.047 144 HD2 TYR 21 HD2 TYR 21 -5.899 8.758 14.678 145 HE1 TYR 21 HE1 TYR 21 -10.025 6.132 15.175 146 HE2 TYR 21 HE2 TYR 21 -7.112 8.795 16.801 147 HH TYR 21 HH TYR 21 -9.404 8.402 17.617 148 H ILE 22 H ILE 22 -6.931 7.273 9.106 149 HA ILE 22 HA ILE 22 -9.781 6.687 9.154 150 HB ILE 22 HB ILE 22 -9.767 7.166 6.633 151 HG12 ILE 22 HG12 ILE 22 -8.177 9.185 6.153 152 HG13 ILE 22 HG13 ILE 22 -7.206 8.503 7.448 153 HG21 ILE 22 HG21 ILE 22 -9.562 9.461 8.569 154 HG22 ILE 22 HG22 ILE 22 -11.007 8.507 8.232 155 HG23 ILE 22 HG23 ILE 22 -10.310 9.531 6.974 156 HD11 ILE 22 HD11 ILE 22 -7.008 6.429 6.220 157 HD12 ILE 22 HD12 ILE 22 -6.433 7.789 5.256 158 HD13 ILE 22 HD13 ILE 22 -8.015 7.074 4.924 159 H LYS 23 H LYS 23 -10.427 4.867 7.965 160 HA LYS 23 HA LYS 23 -8.327 2.866 7.638 161 HB2 LYS 23 HB2 LYS 23 -10.183 1.267 7.447 162 HB3 LYS 23 HB3 LYS 23 -10.312 2.233 8.911 163 HG2 LYS 23 HG2 LYS 23 -12.040 3.584 7.936 164 HG3 LYS 23 HG3 LYS 23 -11.824 2.806 6.370 165 HD2 LYS 23 HD2 LYS 23 -12.604 0.716 7.246 166 HD3 LYS 23 HD3 LYS 23 -12.691 1.380 8.882 167 HE2 LYS 23 HE2 LYS 23 -14.287 2.316 6.510 168 HE3 LYS 23 HE3 LYS 23 -14.888 1.234 7.765 169 HZ1 LYS 23 HZ1 LYS 23 -15.631 3.421 8.254 170 HZ2 LYS 23 HZ2 LYS 23 -14.100 4.091 8.060 171 HZ3 LYS 23 HZ3 LYS 23 -14.416 3.066 9.377 172 H LEU 24 H LEU 24 -8.203 1.530 5.769 173 HA LEU 24 HA LEU 24 -9.591 2.355 3.372 174 HB2 LEU 24 HB2 LEU 24 -6.584 2.197 3.229 175 HB3 LEU 24 HB3 LEU 24 -7.701 2.779 2.029 176 HG LEU 24 HG LEU 24 -8.177 4.631 3.844 177 HD11 LEU 24 HD11 LEU 24 -5.391 3.698 4.490 178 HD12 LEU 24 HD12 LEU 24 -6.779 3.723 5.575 179 HD13 LEU 24 HD13 LEU 24 -6.081 5.234 4.992 180 HD21 LEU 24 HD21 LEU 24 -7.363 5.003 1.581 181 HD22 LEU 24 HD22 LEU 24 -5.734 4.575 2.096 182 HD23 LEU 24 HD23 LEU 24 -6.514 6.019 2.745 183 H LYS 25 H LYS 25 -8.489 0.892 1.475 184 HA LYS 25 HA LYS 25 -7.823 -1.746 2.458 185 HB2 LYS 25 HB2 LYS 25 -10.241 -1.839 2.584 186 HB3 LYS 25 HB3 LYS 25 -10.389 -1.198 0.956 187 HG2 LYS 25 HG2 LYS 25 -8.829 -3.680 1.173 188 HG3 LYS 25 HG3 LYS 25 -10.533 -3.829 1.601 189 HD2 LYS 25 HD2 LYS 25 -9.555 -2.568 -0.958 190 HD3 LYS 25 HD3 LYS 25 -9.982 -4.274 -0.812 191 HE2 LYS 25 HE2 LYS 25 -11.828 -1.966 -0.219 192 HE3 LYS 25 HE3 LYS 25 -11.821 -2.890 -1.719 193 HZ1 LYS 25 HZ1 LYS 25 -13.534 -3.731 -0.295 194 HZ2 LYS 25 HZ2 LYS 25 -12.466 -3.905 0.996 195 HZ3 LYS 25 HZ3 LYS 25 -12.308 -4.895 -0.360 196 H VAL 26 H VAL 26 -6.827 -3.012 0.885 197 HA VAL 26 HA VAL 26 -6.573 -1.802 -1.771 198 HB VAL 26 HB VAL 26 -4.217 -1.854 -1.866 199 HG11 VAL 26 HG11 VAL 26 -5.071 0.014 -0.532 200 HG12 VAL 26 HG12 VAL 26 -3.445 -0.465 -0.047 201 HG13 VAL 26 HG13 VAL 26 -4.838 -0.943 0.926 202 HG21 VAL 26 HG21 VAL 26 -4.166 -3.325 0.754 203 HG22 VAL 26 HG22 VAL 26 -2.761 -2.849 -0.203 204 HG23 VAL 26 HG23 VAL 26 -3.902 -4.039 -0.835 205 H ILE 27 H ILE 27 -6.441 -3.231 -3.424 206 HA ILE 27 HA ILE 27 -6.412 -6.082 -2.692 207 HB ILE 27 HB ILE 27 -7.877 -4.748 -4.990 208 HG12 ILE 27 HG12 ILE 27 -9.132 -6.045 -2.594 209 HG13 ILE 27 HG13 ILE 27 -8.693 -4.338 -2.586 210 HG21 ILE 27 HG21 ILE 27 -7.211 -7.053 -5.482 211 HG22 ILE 27 HG22 ILE 27 -8.958 -6.936 -5.277 212 HG23 ILE 27 HG23 ILE 27 -7.962 -7.597 -3.982 213 HD11 ILE 27 HD11 ILE 27 -11.045 -4.690 -3.124 214 HD12 ILE 27 HD12 ILE 27 -10.580 -5.658 -4.527 215 HD13 ILE 27 HD13 ILE 27 -10.170 -3.942 -4.459 216 H GLY 28 H GLY 28 -5.309 -7.466 -4.153 217 HA2 GLY 28 HA2 GLY 28 -3.685 -6.046 -6.152 218 HA3 GLY 28 HA3 GLY 28 -2.938 -7.178 -5.032 219 H GLN 29 H GLN 29 -2.392 -7.755 -7.441 220 HA GLN 29 HA GLN 29 -4.215 -9.241 -8.996 221 HB2 GLN 29 HB2 GLN 29 -2.403 -9.748 -10.352 222 HB3 GLN 29 HB3 GLN 29 -1.819 -8.302 -9.547 223 HG2 GLN 29 HG2 GLN 29 -1.141 -11.137 -8.759 224 HG3 GLN 29 HG3 GLN 29 -0.105 -10.069 -9.694 225 HE21 GLN 29 HE21 GLN 29 -0.685 -7.702 -8.125 226 HE22 GLN 29 HE22 GLN 29 0.088 -7.939 -6.592 227 H ASP 30 H ASP 30 -2.900 -9.907 -6.024 228 HA ASP 30 HA ASP 30 -2.562 -12.751 -6.277 229 HB2 ASP 30 HB2 ASP 30 -1.244 -11.180 -4.761 230 HB3 ASP 30 HB3 ASP 30 -2.691 -11.078 -3.767 231 H SER 31 H SER 31 -5.179 -10.768 -6.174 232 HA SER 31 HA SER 31 -7.394 -11.014 -5.798 233 HB2 SER 31 HB2 SER 31 -6.786 -13.924 -5.190 234 HB3 SER 31 HB3 SER 31 -8.356 -13.244 -5.614 235 HG SER 31 HG SER 31 -6.220 -13.919 -7.225 236 H SER 32 H SER 32 -5.232 -10.779 -3.656 237 HA SER 32 HA SER 32 -6.902 -11.328 -1.324 238 HB2 SER 32 HB2 SER 32 -3.935 -10.758 -1.510 239 HB3 SER 32 HB3 SER 32 -4.819 -11.173 -0.040 240 HG SER 32 HG SER 32 -3.758 -12.813 -1.892 241 H GLU 33 H GLU 33 -6.712 -9.645 0.403 242 HA GLU 33 HA GLU 33 -6.063 -6.997 -0.498 243 HB2 GLU 33 HB2 GLU 33 -8.235 -6.037 -0.090 244 HB3 GLU 33 HB3 GLU 33 -8.398 -7.330 -1.268 245 HG2 GLU 33 HG2 GLU 33 -9.311 -8.798 0.393 246 HG3 GLU 33 HG3 GLU 33 -9.029 -7.602 1.657 247 H ILE 34 H ILE 34 -6.289 -5.455 1.297 248 HA ILE 34 HA ILE 34 -6.372 -6.715 3.918 249 HB ILE 34 HB ILE 34 -4.003 -6.804 3.280 250 HG12 ILE 34 HG12 ILE 34 -4.303 -4.679 5.368 251 HG13 ILE 34 HG13 ILE 34 -4.880 -6.322 5.651 252 HG21 ILE 34 HG21 ILE 34 -4.250 -3.812 3.081 253 HG22 ILE 34 HG22 ILE 34 -3.856 -4.942 1.785 254 HG23 ILE 34 HG23 ILE 34 -2.723 -4.695 3.113 255 HD11 ILE 34 HD11 ILE 34 -2.071 -5.501 5.002 256 HD12 ILE 34 HD12 ILE 34 -2.643 -7.153 5.252 257 HD13 ILE 34 HD13 ILE 34 -2.688 -5.993 6.582 258 H HIS 35 H HIS 35 -7.077 -5.426 5.518 259 HA HIS 35 HA HIS 35 -7.912 -2.709 4.755 260 HB2 HIS 35 HB2 HIS 35 -8.949 -4.422 7.042 261 HB3 HIS 35 HB3 HIS 35 -9.598 -2.877 6.518 262 HD1 HIS 35 HD1 HIS 35 -11.621 -4.997 6.631 263 HD2 HIS 35 HD2 HIS 35 -9.210 -4.511 3.292 264 HE1 HIS 35 HE1 HIS 35 -12.841 -6.126 4.747 265 HE2 HIS 35 HE2 HIS 35 -11.309 -5.896 2.748 266 H PHE 36 H PHE 36 -7.154 -1.012 5.948 267 HA PHE 36 HA PHE 36 -5.820 -1.556 8.471 268 HB2 PHE 36 HB2 PHE 36 -3.831 -0.117 7.665 269 HB3 PHE 36 HB3 PHE 36 -3.891 -1.796 7.156 270 HD1 PHE 36 HD1 PHE 36 -4.508 1.672 6.052 271 HD2 PHE 36 HD2 PHE 36 -3.990 -2.384 4.903 272 HE1 PHE 36 HE1 PHE 36 -4.326 2.361 3.700 273 HE2 PHE 36 HE2 PHE 36 -3.813 -1.701 2.556 274 HZ PHE 36 HZ PHE 36 -3.984 0.680 1.955 275 HH31 ALY 37 HH31 ALY 37 -4.309 3.339 13.789 276 HH32 ALY 37 HH32 ALY 37 -4.965 1.699 13.603 277 HH33 ALY 37 HH33 ALY 37 -3.994 2.129 15.026 278 HZ ALY 37 HZ ALY 37 -6.912 4.264 13.937 279 HE3 ALY 37 HE3 ALY 37 -7.702 1.546 13.529 280 HE2 ALY 37 HE2 ALY 37 -8.777 2.406 14.627 281 HD3 ALY 37 HD3 ALY 37 -9.609 2.483 12.330 282 HD2 ALY 37 HD2 ALY 37 -9.201 4.093 12.922 283 HG3 ALY 37 HG3 ALY 37 -8.417 3.814 10.634 284 HG2 ALY 37 HG2 ALY 37 -7.047 3.968 11.734 285 HB3 ALY 37 HB3 ALY 37 -6.714 1.571 11.709 286 HB2 ALY 37 HB2 ALY 37 -8.145 1.356 10.712 287 HCA ALY 37 HCA ALY 37 -7.018 2.619 8.889 288 H ALY 37 H ALY 37 -5.553 0.244 9.782 289 H VAL 38 H VAL 38 -5.502 3.984 8.260 290 HA VAL 38 HA VAL 38 -3.087 4.242 9.905 291 HB VAL 38 HB VAL 38 -2.043 5.344 7.991 292 HG11 VAL 38 HG11 VAL 38 -1.857 2.939 8.151 293 HG12 VAL 38 HG12 VAL 38 -1.947 3.429 6.458 294 HG13 VAL 38 HG13 VAL 38 -3.361 2.740 7.257 295 HG21 VAL 38 HG21 VAL 38 -3.175 5.453 5.814 296 HG22 VAL 38 HG22 VAL 38 -4.001 6.427 7.029 297 HG23 VAL 38 HG23 VAL 38 -4.656 4.857 6.563 298 H LYS 39 H LYS 39 -2.250 6.693 9.273 299 HA LYS 39 HA LYS 39 -4.246 8.369 10.606 300 HB2 LYS 39 HB2 LYS 39 -1.857 8.116 11.492 301 HB3 LYS 39 HB3 LYS 39 -1.344 9.028 10.083 302 HG2 LYS 39 HG2 LYS 39 -1.469 10.609 11.796 303 HG3 LYS 39 HG3 LYS 39 -2.952 10.845 10.873 304 HD2 LYS 39 HD2 LYS 39 -3.538 10.906 13.196 305 HD3 LYS 39 HD3 LYS 39 -4.121 9.372 12.552 306 HE2 LYS 39 HE2 LYS 39 -3.059 9.087 14.739 307 HE3 LYS 39 HE3 LYS 39 -2.176 8.226 13.481 308 HZ1 LYS 39 HZ1 LYS 39 -0.734 9.453 15.032 309 HZ2 LYS 39 HZ2 LYS 39 -1.424 10.905 14.521 310 HZ3 LYS 39 HZ3 LYS 39 -0.542 9.960 13.435 311 H MET 40 H MET 40 -4.579 10.573 9.757 312 HA MET 40 HA MET 40 -5.084 10.749 7.036 313 HB2 MET 40 HB2 MET 40 -6.011 12.282 8.740 314 HB3 MET 40 HB3 MET 40 -4.428 13.016 8.925 315 HG2 MET 40 HG2 MET 40 -5.737 14.467 7.582 316 HG3 MET 40 HG3 MET 40 -4.550 13.708 6.529 317 HE1 MET 40 HE1 MET 40 -5.333 11.287 5.171 318 HE2 MET 40 HE2 MET 40 -5.160 12.798 4.282 319 HE3 MET 40 HE3 MET 40 -6.556 11.759 3.992 320 H THR 41 H THR 41 -2.178 11.433 8.812 321 HA THR 41 HA THR 41 -0.804 11.751 6.245 322 HB THR 41 HB THR 41 0.748 13.356 7.368 323 HG1 THR 41 HG1 THR 41 -1.001 14.056 9.338 324 HG21 THR 41 HG21 THR 41 -0.789 15.249 7.266 325 HG22 THR 41 HG22 THR 41 -2.164 14.149 7.432 326 HG23 THR 41 HG23 THR 41 -1.169 14.094 5.984 327 H THR 42 H THR 42 0.537 10.112 5.950 328 HA THR 42 HA THR 42 2.585 9.404 7.721 329 HB THR 42 HB THR 42 0.622 8.279 8.892 330 HG1 THR 42 HG1 THR 42 2.204 7.043 9.552 331 HG21 THR 42 HG21 THR 42 -0.212 6.177 7.894 332 HG22 THR 42 HG22 THR 42 0.678 6.545 6.416 333 HG23 THR 42 HG23 THR 42 -0.650 7.588 6.929 334 H HIS 43 H HIS 43 3.632 7.237 6.839 335 HA HIS 43 HA HIS 43 3.590 7.485 3.925 336 HB2 HIS 43 HB2 HIS 43 5.561 6.189 5.801 337 HB3 HIS 43 HB3 HIS 43 5.673 6.056 4.052 338 HD1 HIS 43 HD1 HIS 43 6.697 8.151 6.817 339 HD2 HIS 43 HD2 HIS 43 5.970 8.684 2.765 340 HE1 HIS 43 HE1 HIS 43 7.852 10.288 6.197 341 HE2 HIS 43 HE2 HIS 43 7.494 10.530 3.714 342 H LEU 44 H LEU 44 2.785 5.990 2.633 343 HA LEU 44 HA LEU 44 1.163 3.924 3.672 344 HB2 LEU 44 HB2 LEU 44 2.103 4.344 0.843 345 HB3 LEU 44 HB3 LEU 44 0.798 3.284 1.333 346 HG LEU 44 HG LEU 44 0.865 6.291 1.469 347 HD11 LEU 44 HD11 LEU 44 0.347 5.464 -0.710 348 HD12 LEU 44 HD12 LEU 44 -1.135 6.073 0.026 349 HD13 LEU 44 HD13 LEU 44 -0.837 4.336 -0.054 350 HD21 LEU 44 HD21 LEU 44 -0.205 5.498 3.494 351 HD22 LEU 44 HD22 LEU 44 -1.215 4.394 2.565 352 HD23 LEU 44 HD23 LEU 44 -1.428 6.135 2.393 353 H LYS 45 H LYS 45 4.475 3.936 3.230 354 HA LYS 45 HA LYS 45 5.028 1.376 2.298 355 HB2 LYS 45 HB2 LYS 45 6.655 3.273 2.681 356 HB3 LYS 45 HB3 LYS 45 6.612 2.879 4.387 357 HG2 LYS 45 HG2 LYS 45 7.295 0.747 2.431 358 HG3 LYS 45 HG3 LYS 45 8.508 1.960 2.816 359 HD2 LYS 45 HD2 LYS 45 7.088 0.187 4.809 360 HD3 LYS 45 HD3 LYS 45 8.728 -0.056 4.207 361 HE2 LYS 45 HE2 LYS 45 9.346 2.154 5.135 362 HE3 LYS 45 HE3 LYS 45 7.730 2.295 5.815 363 HZ1 LYS 45 HZ1 LYS 45 9.238 1.515 7.481 364 HZ2 LYS 45 HZ2 LYS 45 9.755 0.243 6.498 365 HZ3 LYS 45 HZ3 LYS 45 8.170 0.251 7.094 366 H LYS 46 H LYS 46 3.910 2.470 5.433 367 HA LYS 46 HA LYS 46 4.556 0.150 6.910 368 HB2 LYS 46 HB2 LYS 46 2.983 0.958 8.588 369 HB3 LYS 46 HB3 LYS 46 3.975 2.278 8.002 370 HG2 LYS 46 HG2 LYS 46 1.940 3.310 8.017 371 HG3 LYS 46 HG3 LYS 46 1.924 2.644 6.385 372 HD2 LYS 46 HD2 LYS 46 -0.201 2.157 7.293 373 HD3 LYS 46 HD3 LYS 46 0.699 0.645 7.346 374 HE2 LYS 46 HE2 LYS 46 0.671 2.454 9.736 375 HE3 LYS 46 HE3 LYS 46 -0.713 1.414 9.412 376 HZ1 LYS 46 HZ1 LYS 46 0.777 0.312 10.900 377 HZ2 LYS 46 HZ2 LYS 46 2.094 0.536 9.879 378 HZ3 LYS 46 HZ3 LYS 46 0.831 -0.491 9.419 379 H LEU 47 H LEU 47 1.861 0.929 4.803 380 HA LEU 47 HA LEU 47 0.342 -1.342 5.651 381 HB2 LEU 47 HB2 LEU 47 -1.289 -0.766 4.074 382 HB3 LEU 47 HB3 LEU 47 -0.658 0.754 4.658 383 HG LEU 47 HG LEU 47 0.862 0.518 2.487 384 HD11 LEU 47 HD11 LEU 47 -1.671 -0.950 1.756 385 HD12 LEU 47 HD12 LEU 47 -0.046 -1.636 1.804 386 HD13 LEU 47 HD13 LEU 47 -0.441 -0.385 0.625 387 HD21 LEU 47 HD21 LEU 47 -1.972 1.494 2.613 388 HD22 LEU 47 HD22 LEU 47 -0.824 1.891 1.327 389 HD23 LEU 47 HD23 LEU 47 -0.503 2.398 2.988 390 H LYS 48 H LYS 48 2.699 -0.638 3.168 391 HA LYS 48 HA LYS 48 2.423 -2.957 1.599 392 HB2 LYS 48 HB2 LYS 48 4.701 -1.138 2.223 393 HB3 LYS 48 HB3 LYS 48 5.074 -2.693 1.501 394 HG2 LYS 48 HG2 LYS 48 4.946 -1.112 -0.239 395 HG3 LYS 48 HG3 LYS 48 3.496 -2.113 -0.346 396 HD2 LYS 48 HD2 LYS 48 2.166 -0.400 0.636 397 HD3 LYS 48 HD3 LYS 48 3.595 0.571 1.018 398 HE2 LYS 48 HE2 LYS 48 2.305 0.046 -1.631 399 HE3 LYS 48 HE3 LYS 48 2.784 1.584 -0.913 400 HZ1 LYS 48 HZ1 LYS 48 5.152 0.767 -1.168 401 HZ2 LYS 48 HZ2 LYS 48 4.338 1.120 -2.621 402 HZ3 LYS 48 HZ3 LYS 48 4.532 -0.476 -2.132 403 H GLU 49 H GLU 49 4.475 -2.362 4.440 404 HA GLU 49 HA GLU 49 5.484 -4.917 4.772 405 HB2 GLU 49 HB2 GLU 49 4.725 -2.996 6.969 406 HB3 GLU 49 HB3 GLU 49 5.929 -4.279 7.055 407 HG2 GLU 49 HG2 GLU 49 7.215 -3.137 5.315 408 HG3 GLU 49 HG3 GLU 49 6.046 -1.828 5.322 409 H SER 50 H SER 50 2.632 -3.448 6.254 410 HA SER 50 HA SER 50 1.724 -5.626 7.704 411 HB2 SER 50 HB2 SER 50 0.828 -3.290 7.814 412 HB3 SER 50 HB3 SER 50 -0.013 -3.586 6.295 413 HG SER 50 HG SER 50 -0.485 -5.524 8.166 414 H TYR 51 H TYR 51 1.419 -4.942 4.279 415 HA TYR 51 HA TYR 51 -0.550 -6.953 3.752 416 HB2 TYR 51 HB2 TYR 51 0.027 -4.890 2.313 417 HB3 TYR 51 HB3 TYR 51 1.392 -5.830 1.727 418 HD1 TYR 51 HD1 TYR 51 0.589 -8.355 0.995 419 HD2 TYR 51 HD2 TYR 51 -1.795 -4.845 0.943 420 HE1 TYR 51 HE1 TYR 51 -0.870 -9.386 -0.702 421 HE2 TYR 51 HE2 TYR 51 -3.264 -5.870 -0.762 422 HH TYR 51 HH TYR 51 -3.259 -7.580 -2.397 423 H CYS 52 H CYS 52 2.936 -6.721 3.237 424 HA CYS 52 HA CYS 52 3.286 -9.356 2.279 425 HB2 CYS 52 HB2 CYS 52 4.913 -7.532 1.918 426 HB3 CYS 52 HB3 CYS 52 5.325 -7.551 3.624 427 HG CYS 52 HG CYS 52 5.854 -10.070 1.389 428 H GLN 53 H GLN 53 3.211 -8.007 5.485 429 HA GLN 53 HA GLN 53 4.188 -10.328 6.835 430 HB2 GLN 53 HB2 GLN 53 2.691 -7.896 7.788 431 HB3 GLN 53 HB3 GLN 53 3.271 -9.150 8.870 432 HG2 GLN 53 HG2 GLN 53 5.046 -7.629 6.993 433 HG3 GLN 53 HG3 GLN 53 4.750 -7.099 8.641 434 HE21 GLN 53 HE21 GLN 53 4.685 -9.948 9.572 435 HE22 GLN 53 HE22 GLN 53 6.334 -10.453 9.590 436 H ARG 54 H ARG 54 1.008 -9.184 5.896 437 HA ARG 54 HA ARG 54 -0.369 -11.172 7.486 438 HB2 ARG 54 HB2 ARG 54 -1.298 -8.899 7.100 439 HB3 ARG 54 HB3 ARG 54 -1.450 -9.287 5.396 440 HG2 ARG 54 HG2 ARG 54 -3.594 -9.537 6.385 441 HG3 ARG 54 HG3 ARG 54 -2.981 -11.153 6.030 442 HD2 ARG 54 HD2 ARG 54 -2.303 -11.404 8.370 443 HD3 ARG 54 HD3 ARG 54 -2.908 -9.787 8.719 444 HE ARG 54 HE ARG 54 -4.818 -11.666 7.599 445 HH11 ARG 54 HH11 ARG 54 -3.553 -10.111 10.476 446 HH12 ARG 54 HH12 ARG 54 -4.915 -10.520 11.455 447 HH21 ARG 54 HH21 ARG 54 -6.641 -12.192 8.889 448 HH22 ARG 54 HH22 ARG 54 -6.686 -11.703 10.549 449 H GLN 55 H GLN 55 0.084 -10.500 4.026 450 HA GLN 55 HA GLN 55 -1.198 -13.015 3.342 451 HB2 GLN 55 HB2 GLN 55 -0.294 -10.639 1.765 452 HB3 GLN 55 HB3 GLN 55 -0.631 -12.159 0.950 453 HG2 GLN 55 HG2 GLN 55 -2.591 -10.849 0.797 454 HG3 GLN 55 HG3 GLN 55 -2.914 -12.102 1.989 455 HE21 GLN 55 HE21 GLN 55 -1.008 -9.189 2.583 456 HE22 GLN 55 HE22 GLN 55 -2.138 -8.483 3.685 457 H GLY 56 H GLY 56 1.950 -11.905 3.909 458 HA2 GLY 56 HA2 GLY 56 4.002 -12.920 3.727 459 HA3 GLY 56 HA3 GLY 56 3.133 -14.425 3.499 460 H VAL 57 H VAL 57 2.746 -11.738 1.317 461 HA VAL 57 HA VAL 57 4.079 -13.322 -0.762 462 HB VAL 57 HB VAL 57 2.697 -11.945 -2.373 463 HG11 VAL 57 HG11 VAL 57 1.197 -13.624 -0.362 464 HG12 VAL 57 HG12 VAL 57 2.066 -14.222 -1.778 465 HG13 VAL 57 HG13 VAL 57 0.633 -13.214 -1.983 466 HG21 VAL 57 HG21 VAL 57 0.733 -10.790 -1.506 467 HG22 VAL 57 HG22 VAL 57 2.214 -10.078 -0.863 468 HG23 VAL 57 HG23 VAL 57 1.241 -11.146 0.144 469 HA PRO 58 HA PRO 58 7.105 -10.178 -1.319 470 HB2 PRO 58 HB2 PRO 58 7.560 -10.237 -3.993 471 HB3 PRO 58 HB3 PRO 58 8.091 -11.520 -2.900 472 HG2 PRO 58 HG2 PRO 58 5.701 -11.428 -4.695 473 HG3 PRO 58 HG3 PRO 58 6.811 -12.770 -4.372 474 HD2 PRO 58 HD2 PRO 58 4.362 -12.555 -3.213 475 HD3 PRO 58 HD3 PRO 58 5.736 -13.357 -2.429 476 H MET 59 H MET 59 6.387 -8.181 -0.880 477 HA MET 59 HA MET 59 4.460 -6.792 -2.457 478 HB2 MET 59 HB2 MET 59 5.906 -6.342 0.043 479 HB3 MET 59 HB3 MET 59 5.634 -4.872 -0.882 480 HG2 MET 59 HG2 MET 59 3.883 -5.365 0.815 481 HG3 MET 59 HG3 MET 59 3.261 -5.193 -0.822 482 HE1 MET 59 HE1 MET 59 3.075 -8.020 -2.314 483 HE2 MET 59 HE2 MET 59 1.965 -6.687 -1.996 484 HE3 MET 59 HE3 MET 59 1.502 -8.333 -1.580 485 H ASN 60 H ASN 60 7.693 -7.334 -2.958 486 HA ASN 60 HA ASN 60 8.294 -4.766 -4.188 487 HB2 ASN 60 HB2 ASN 60 9.868 -7.340 -4.001 488 HB3 ASN 60 HB3 ASN 60 10.446 -5.917 -4.852 489 HD21 ASN 60 HD21 ASN 60 8.586 -5.681 -1.920 490 HD22 ASN 60 HD22 ASN 60 9.870 -5.158 -0.896 491 H SER 61 H SER 61 7.713 -8.065 -5.223 492 HA SER 61 HA SER 61 8.113 -7.891 -7.941 493 HB2 SER 61 HB2 SER 61 5.922 -9.485 -6.614 494 HB3 SER 61 HB3 SER 61 6.696 -9.828 -8.162 495 HG SER 61 HG SER 61 8.071 -10.928 -7.042 496 H LEU 62 H LEU 62 5.410 -6.602 -6.162 497 HA LEU 62 HA LEU 62 4.279 -5.696 -8.694 498 HB2 LEU 62 HB2 LEU 62 2.054 -5.607 -7.343 499 HB3 LEU 62 HB3 LEU 62 2.600 -7.100 -8.063 500 HG LEU 62 HG LEU 62 1.579 -7.256 -5.768 501 HD11 LEU 62 HD11 LEU 62 2.873 -9.050 -6.760 502 HD12 LEU 62 HD12 LEU 62 3.082 -8.971 -5.009 503 HD13 LEU 62 HD13 LEU 62 4.346 -8.363 -6.077 504 HD21 LEU 62 HD21 LEU 62 4.218 -6.100 -4.882 505 HD22 LEU 62 HD22 LEU 62 2.949 -6.752 -3.847 506 HD23 LEU 62 HD23 LEU 62 2.654 -5.292 -4.786 507 H ARG 63 H ARG 63 2.829 -3.718 -8.379 508 HA ARG 63 HA ARG 63 4.128 -1.958 -6.420 509 HB2 ARG 63 HB2 ARG 63 4.057 -0.099 -7.931 510 HB3 ARG 63 HB3 ARG 63 4.893 -1.430 -8.714 511 HG2 ARG 63 HG2 ARG 63 1.982 -0.990 -9.229 512 HG3 ARG 63 HG3 ARG 63 3.178 0.027 -10.028 513 HD2 ARG 63 HD2 ARG 63 4.285 -2.130 -10.780 514 HD3 ARG 63 HD3 ARG 63 2.831 -2.953 -10.220 515 HE ARG 63 HE ARG 63 1.642 -2.063 -12.001 516 HH11 ARG 63 HH11 ARG 63 4.889 -0.715 -11.950 517 HH12 ARG 63 HH12 ARG 63 4.733 0.034 -13.502 518 HH21 ARG 63 HH21 ARG 63 1.454 -1.065 -14.055 519 HH22 ARG 63 HH22 ARG 63 2.780 -0.149 -14.685 520 H PHE 64 H PHE 64 2.843 0.028 -5.945 521 HA PHE 64 HA PHE 64 0.040 -0.764 -5.652 522 HB2 PHE 64 HB2 PHE 64 1.841 0.797 -3.802 523 HB3 PHE 64 HB3 PHE 64 0.091 0.804 -3.637 524 HD1 PHE 64 HD1 PHE 64 2.785 -1.764 -4.103 525 HD2 PHE 64 HD2 PHE 64 -0.728 -0.583 -2.010 526 HE1 PHE 64 HE1 PHE 64 2.918 -3.804 -2.736 527 HE2 PHE 64 HE2 PHE 64 -0.599 -2.626 -0.642 528 HZ PHE 64 HZ PHE 64 1.223 -4.235 -1.003 529 H LEU 65 H LEU 65 -1.177 0.296 -6.935 530 HA LEU 65 HA LEU 65 -0.616 3.151 -7.489 531 HB2 LEU 65 HB2 LEU 65 -2.006 1.246 -9.341 532 HB3 LEU 65 HB3 LEU 65 -1.532 2.891 -9.685 533 HG LEU 65 HG LEU 65 0.330 0.542 -9.320 534 HD11 LEU 65 HD11 LEU 65 -0.854 0.542 -11.445 535 HD12 LEU 65 HD12 LEU 65 0.858 0.901 -11.672 536 HD13 LEU 65 HD13 LEU 65 -0.333 2.200 -11.747 537 HD21 LEU 65 HD21 LEU 65 0.958 3.431 -9.913 538 HD22 LEU 65 HD22 LEU 65 2.116 2.100 -9.935 539 HD23 LEU 65 HD23 LEU 65 1.336 2.565 -8.423 540 H PHE 66 H PHE 66 -2.144 4.510 -7.112 541 HA PHE 66 HA PHE 66 -4.777 3.478 -6.343 542 HB2 PHE 66 HB2 PHE 66 -3.862 4.816 -4.588 543 HB3 PHE 66 HB3 PHE 66 -3.370 6.079 -5.699 544 HD1 PHE 66 HD1 PHE 66 -6.665 4.398 -5.692 545 HD2 PHE 66 HD2 PHE 66 -4.470 7.904 -4.693 546 HE1 PHE 66 HE1 PHE 66 -8.762 5.585 -5.294 547 HE2 PHE 66 HE2 PHE 66 -6.574 9.107 -4.272 548 HZ PHE 66 HZ PHE 66 -8.728 7.944 -4.577 549 H GLU 67 H GLU 67 -5.896 3.291 -8.161 550 HA GLU 67 HA GLU 67 -6.786 3.708 -10.207 551 HB2 GLU 67 HB2 GLU 67 -8.172 5.718 -10.313 552 HB3 GLU 67 HB3 GLU 67 -8.263 4.975 -8.735 553 HG2 GLU 67 HG2 GLU 67 -6.788 6.655 -7.821 554 HG3 GLU 67 HG3 GLU 67 -6.588 7.358 -9.423 555 H GLY 68 H GLY 68 -4.008 4.048 -10.222 556 HA2 GLY 68 HA2 GLY 68 -2.775 4.501 -12.252 557 HA3 GLY 68 HA3 GLY 68 -3.742 5.951 -12.453 558 H GLN 69 H GLN 69 -3.115 6.021 -9.281 559 HA GLN 69 HA GLN 69 -0.971 7.926 -9.593 560 HB2 GLN 69 HB2 GLN 69 -2.599 6.961 -7.250 561 HB3 GLN 69 HB3 GLN 69 -1.236 8.054 -7.029 562 HG2 GLN 69 HG2 GLN 69 -3.639 8.609 -8.761 563 HG3 GLN 69 HG3 GLN 69 -3.453 9.159 -7.098 564 HE21 GLN 69 HE21 GLN 69 -0.618 9.705 -7.368 565 HE22 GLN 69 HE22 GLN 69 -0.484 11.139 -8.315 566 H ARG 70 H ARG 70 1.111 7.704 -8.882 567 HA ARG 70 HA ARG 70 2.052 4.979 -8.520 568 HB2 ARG 70 HB2 ARG 70 3.219 6.317 -10.153 569 HB3 ARG 70 HB3 ARG 70 3.453 7.613 -8.996 570 HG2 ARG 70 HG2 ARG 70 5.531 6.497 -9.277 571 HG3 ARG 70 HG3 ARG 70 4.916 6.083 -7.679 572 HD2 ARG 70 HD2 ARG 70 4.147 3.933 -8.508 573 HD3 ARG 70 HD3 ARG 70 4.666 4.358 -10.140 574 HE ARG 70 HE ARG 70 6.836 4.579 -8.354 575 HH11 ARG 70 HH11 ARG 70 4.887 2.166 -10.001 576 HH12 ARG 70 HH12 ARG 70 6.130 0.960 -9.992 577 HH21 ARG 70 HH21 ARG 70 8.488 2.990 -8.349 578 HH22 ARG 70 HH22 ARG 70 8.197 1.425 -9.024 579 H ILE 71 H ILE 71 2.150 4.206 -6.481 580 HA ILE 71 HA ILE 71 3.016 6.070 -4.372 581 HB ILE 71 HB ILE 71 1.292 3.587 -4.099 582 HG12 ILE 71 HG12 ILE 71 -0.251 5.317 -2.956 583 HG13 ILE 71 HG13 ILE 71 0.760 6.533 -3.722 584 HG21 ILE 71 HG21 ILE 71 2.915 3.724 -2.267 585 HG22 ILE 71 HG22 ILE 71 1.266 3.981 -1.703 586 HG23 ILE 71 HG23 ILE 71 2.355 5.356 -1.897 587 HD11 ILE 71 HD11 ILE 71 -1.255 6.114 -5.004 588 HD12 ILE 71 HD12 ILE 71 -0.833 4.408 -5.140 589 HD13 ILE 71 HD13 ILE 71 0.176 5.631 -5.914 590 H ALA 72 H ALA 72 5.230 5.762 -4.517 591 HA ALA 72 HA ALA 72 6.148 2.991 -4.279 592 HB1 ALA 72 HB1 ALA 72 8.316 3.771 -5.049 593 HB2 ALA 72 HB2 ALA 72 7.729 5.433 -5.065 594 HB3 ALA 72 HB3 ALA 72 7.047 4.246 -6.177 595 H ASP 73 H ASP 73 5.489 3.050 -2.058 596 HA ASP 73 HA ASP 73 5.829 3.158 0.195 597 HB2 ASP 73 HB2 ASP 73 8.677 2.868 -0.759 598 HB3 ASP 73 HB3 ASP 73 8.115 2.538 0.881 599 H ASN 74 H ASN 74 5.654 5.802 -0.895 600 HA ASN 74 HA ASN 74 6.943 7.218 1.268 601 HB2 ASN 74 HB2 ASN 74 8.169 8.791 -0.026 602 HB3 ASN 74 HB3 ASN 74 8.639 7.189 -0.580 603 HD21 ASN 74 HD21 ASN 74 8.754 9.796 -1.873 604 HD22 ASN 74 HD22 ASN 74 7.879 9.615 -3.350 605 H HIS 75 H HIS 75 4.681 7.102 -1.352 606 HA HIS 75 HA HIS 75 3.648 9.677 -1.118 607 HB2 HIS 75 HB2 HIS 75 3.140 7.440 -2.703 608 HB3 HIS 75 HB3 HIS 75 1.621 7.769 -1.873 609 HD1 HIS 75 HD1 HIS 75 3.173 8.546 -4.913 610 HD2 HIS 75 HD2 HIS 75 1.171 10.822 -2.069 611 HE1 HIS 75 HE1 HIS 75 2.452 10.634 -6.095 612 HE2 HIS 75 HE2 HIS 75 1.325 12.035 -4.354 613 H THR 76 H THR 76 1.788 10.441 -0.128 614 HA THR 76 HA THR 76 1.023 8.974 2.298 615 HB THR 76 HB THR 76 0.596 11.201 3.296 616 HG1 THR 76 HG1 THR 76 1.987 12.367 1.135 617 HG21 THR 76 HG21 THR 76 3.367 10.870 2.139 618 HG22 THR 76 HG22 THR 76 2.779 10.155 3.639 619 HG23 THR 76 HG23 THR 76 2.949 11.907 3.502 620 HA PRO 77 HA PRO 77 -3.197 9.020 0.959 621 HB2 PRO 77 HB2 PRO 77 -4.496 9.555 3.335 622 HB3 PRO 77 HB3 PRO 77 -3.877 7.965 2.880 623 HG2 PRO 77 HG2 PRO 77 -2.669 10.033 4.664 624 HG3 PRO 77 HG3 PRO 77 -2.696 8.270 4.846 625 HD2 PRO 77 HD2 PRO 77 -0.515 9.595 3.987 626 HD3 PRO 77 HD3 PRO 77 -0.921 7.970 3.403 627 H LYS 78 H LYS 78 -1.940 11.741 2.724 628 HA LYS 78 HA LYS 78 -4.172 13.481 2.239 629 HB2 LYS 78 HB2 LYS 78 -2.708 15.270 3.101 630 HB3 LYS 78 HB3 LYS 78 -2.701 13.872 4.162 631 HG2 LYS 78 HG2 LYS 78 -0.531 13.283 3.601 632 HG3 LYS 78 HG3 LYS 78 -0.571 14.182 2.084 633 HD2 LYS 78 HD2 LYS 78 -0.509 16.281 3.299 634 HD3 LYS 78 HD3 LYS 78 -0.562 15.430 4.839 635 HE2 LYS 78 HE2 LYS 78 1.579 14.329 4.252 636 HE3 LYS 78 HE3 LYS 78 1.631 15.280 2.771 637 HZ1 LYS 78 HZ1 LYS 78 1.684 17.291 4.120 638 HZ2 LYS 78 HZ2 LYS 78 2.984 16.279 4.499 639 HZ3 LYS 78 HZ3 LYS 78 1.653 16.370 5.536 640 H GLU 79 H GLU 79 -1.153 12.733 0.669 641 HA GLU 79 HA GLU 79 -1.208 14.976 -1.124 642 HB2 GLU 79 HB2 GLU 79 0.859 13.884 -0.279 643 HB3 GLU 79 HB3 GLU 79 0.432 12.452 -1.196 644 HG2 GLU 79 HG2 GLU 79 2.013 13.578 -2.503 645 HG3 GLU 79 HG3 GLU 79 0.454 13.944 -3.243 646 H LEU 80 H LEU 80 -2.267 11.678 -1.101 647 HA LEU 80 HA LEU 80 -2.593 11.447 -3.942 648 HB2 LEU 80 HB2 LEU 80 -3.580 9.771 -1.659 649 HB3 LEU 80 HB3 LEU 80 -3.789 9.359 -3.348 650 HG LEU 80 HG LEU 80 -1.074 9.791 -2.145 651 HD11 LEU 80 HD11 LEU 80 -2.265 8.087 -0.885 652 HD12 LEU 80 HD12 LEU 80 -0.935 7.408 -1.834 653 HD13 LEU 80 HD13 LEU 80 -2.604 7.218 -2.386 654 HD21 LEU 80 HD21 LEU 80 -0.371 8.423 -4.039 655 HD22 LEU 80 HD22 LEU 80 -1.236 9.860 -4.583 656 HD23 LEU 80 HD23 LEU 80 -2.045 8.292 -4.578 657 H GLY 81 H GLY 81 -4.425 12.922 -1.485 658 HA2 GLY 81 HA2 GLY 81 -6.442 14.040 -1.731 659 HA3 GLY 81 HA3 GLY 81 -6.514 13.453 -3.383 660 H MET 82 H MET 82 -6.125 11.158 -0.732 661 HA MET 82 HA MET 82 -8.797 10.209 -1.465 662 HB2 MET 82 HB2 MET 82 -8.098 7.943 -1.034 663 HB3 MET 82 HB3 MET 82 -6.997 8.678 -2.184 664 HG2 MET 82 HG2 MET 82 -5.417 9.069 -0.293 665 HG3 MET 82 HG3 MET 82 -6.506 8.125 0.727 666 HE1 MET 82 HE1 MET 82 -3.797 5.428 0.295 667 HE2 MET 82 HE2 MET 82 -4.877 6.283 1.396 668 HE3 MET 82 HE3 MET 82 -3.560 7.148 0.604 669 H GLU 83 H GLU 83 -9.584 8.593 0.418 670 HA GLU 83 HA GLU 83 -9.093 9.805 3.015 671 HB2 GLU 83 HB2 GLU 83 -11.067 10.922 1.599 672 HB3 GLU 83 HB3 GLU 83 -11.963 9.549 2.235 673 HG2 GLU 83 HG2 GLU 83 -11.373 10.236 4.525 674 HG3 GLU 83 HG3 GLU 83 -10.490 11.607 3.869 675 H GLU 84 H GLU 84 -11.483 8.539 4.178 676 HA GLU 84 HA GLU 84 -10.316 5.990 4.593 677 HB2 GLU 84 HB2 GLU 84 -11.967 5.604 6.229 678 HB3 GLU 84 HB3 GLU 84 -11.572 7.310 6.328 679 HG2 GLU 84 HG2 GLU 84 -13.589 7.918 5.236 680 HG3 GLU 84 HG3 GLU 84 -13.958 6.230 4.869 681 H GLU 85 H GLU 85 -11.347 3.943 4.367 682 HA GLU 85 HA GLU 85 -12.144 2.262 3.141 683 HB2 GLU 85 HB2 GLU 85 -14.339 4.205 2.455 684 HB3 GLU 85 HB3 GLU 85 -14.384 2.462 2.192 685 HG2 GLU 85 HG2 GLU 85 -14.030 2.168 4.596 686 HG3 GLU 85 HG3 GLU 85 -14.224 3.911 4.781 687 H ASP 86 H ASP 86 -10.371 4.342 1.893 688 HA ASP 86 HA ASP 86 -11.219 4.333 -0.790 689 HB2 ASP 86 HB2 ASP 86 -9.055 5.483 0.738 690 HB3 ASP 86 HB3 ASP 86 -8.493 4.891 -0.822 691 H VAL 87 H VAL 87 -9.947 3.357 -2.553 692 HA VAL 87 HA VAL 87 -8.935 0.751 -1.687 693 HB VAL 87 HB VAL 87 -11.104 0.535 -2.814 694 HG11 VAL 87 HG11 VAL 87 -11.041 2.494 -4.234 695 HG12 VAL 87 HG12 VAL 87 -11.347 1.048 -5.196 696 HG13 VAL 87 HG13 VAL 87 -9.744 1.784 -5.194 697 HG21 VAL 87 HG21 VAL 87 -9.511 -1.287 -3.026 698 HG22 VAL 87 HG22 VAL 87 -8.801 -0.528 -4.450 699 HG23 VAL 87 HG23 VAL 87 -10.457 -1.129 -4.506 700 H ILE 88 H ILE 88 -7.075 0.088 -2.412 701 HA ILE 88 HA ILE 88 -5.684 1.737 -4.428 702 HB ILE 88 HB ILE 88 -4.326 0.095 -2.282 703 HG12 ILE 88 HG12 ILE 88 -5.584 2.003 -1.285 704 HG13 ILE 88 HG13 ILE 88 -3.843 2.175 -1.105 705 HG21 ILE 88 HG21 ILE 88 -3.053 0.436 -4.338 706 HG22 ILE 88 HG22 ILE 88 -2.310 1.262 -2.962 707 HG23 ILE 88 HG23 ILE 88 -3.231 2.181 -4.156 708 HD11 ILE 88 HD11 ILE 88 -4.936 4.279 -1.678 709 HD12 ILE 88 HD12 ILE 88 -5.527 3.561 -3.179 710 HD13 ILE 88 HD13 ILE 88 -3.795 3.769 -2.921 711 H GLU 89 H GLU 89 -4.517 0.626 -6.029 712 HA GLU 89 HA GLU 89 -5.328 -2.183 -6.284 713 HB2 GLU 89 HB2 GLU 89 -4.637 -0.294 -8.518 714 HB3 GLU 89 HB3 GLU 89 -5.439 -1.857 -8.635 715 HG2 GLU 89 HG2 GLU 89 -7.299 -0.855 -7.264 716 HG3 GLU 89 HG3 GLU 89 -6.520 0.697 -7.506 717 H VAL 90 H VAL 90 -3.794 -3.653 -6.414 718 HA VAL 90 HA VAL 90 -1.025 -2.725 -6.677 719 HB VAL 90 HB VAL 90 -2.066 -5.283 -5.447 720 HG11 VAL 90 HG11 VAL 90 0.118 -5.604 -6.445 721 HG12 VAL 90 HG12 VAL 90 0.230 -5.612 -4.686 722 HG13 VAL 90 HG13 VAL 90 0.732 -4.186 -5.596 723 HG21 VAL 90 HG21 VAL 90 -2.575 -3.325 -4.102 724 HG22 VAL 90 HG22 VAL 90 -0.884 -2.824 -4.188 725 HG23 VAL 90 HG23 VAL 90 -1.322 -4.305 -3.336 726 H TYR 91 H TYR 91 -0.324 -2.908 -8.651 727 HA TYR 91 HA TYR 91 -1.290 -5.080 -10.369 728 HB2 TYR 91 HB2 TYR 91 0.276 -2.583 -11.003 729 HB3 TYR 91 HB3 TYR 91 -0.208 -3.790 -12.183 730 HD1 TYR 91 HD1 TYR 91 -1.469 -1.222 -9.842 731 HD2 TYR 91 HD2 TYR 91 -2.380 -3.769 -13.119 732 HE1 TYR 91 HE1 TYR 91 -3.561 0.001 -10.200 733 HE2 TYR 91 HE2 TYR 91 -4.477 -2.551 -13.492 734 HH TYR 91 HH TYR 91 -5.149 0.447 -11.992 735 H GLN 92 H GLN 92 0.087 -6.564 -11.296 736 HA GLN 92 HA GLN 92 2.581 -6.996 -9.922 737 HB2 GLN 92 HB2 GLN 92 1.272 -8.936 -10.361 738 HB3 GLN 92 HB3 GLN 92 1.129 -8.542 -12.067 739 HG2 GLN 92 HG2 GLN 92 2.677 -10.379 -11.698 740 HG3 GLN 92 HG3 GLN 92 3.506 -8.977 -12.375 741 HE21 GLN 92 HE21 GLN 92 5.498 -9.546 -11.646 742 HE22 GLN 92 HE22 GLN 92 5.933 -9.533 -9.977 743 H GLU 93 H GLU 93 4.419 -6.110 -10.481 744 HA GLU 93 HA GLU 93 5.556 -6.184 -13.005 745 HB2 GLU 93 HB2 GLU 93 3.896 -4.526 -13.635 746 HB3 GLU 93 HB3 GLU 93 4.380 -3.482 -12.310 747 HG2 GLU 93 HG2 GLU 93 5.280 -2.674 -14.403 748 HG3 GLU 93 HG3 GLU 93 6.584 -3.220 -13.352 749 H GLN 94 H GLN 94 7.497 -6.362 -12.453 750 HA GLN 94 HA GLN 94 8.617 -5.861 -9.949 751 HB2 GLN 94 HB2 GLN 94 9.496 -7.393 -11.756 752 HB3 GLN 94 HB3 GLN 94 10.175 -5.973 -12.529 753 HG2 GLN 94 HG2 GLN 94 11.662 -5.596 -10.717 754 HG3 GLN 94 HG3 GLN 94 10.850 -6.809 -9.723 755 HE21 GLN 94 HE21 GLN 94 13.643 -6.634 -10.548 756 HE22 GLN 94 HE22 GLN 94 13.985 -8.113 -11.378 757 H THR 95 H THR 95 9.761 -4.165 -9.036 758 HA THR 95 HA THR 95 9.882 -1.697 -10.616 759 HB THR 95 HB THR 95 7.944 -1.665 -9.038 760 HG1 THR 95 HG1 THR 95 10.093 0.123 -8.482 761 HG21 THR 95 HG21 THR 95 8.842 -3.068 -7.259 762 HG22 THR 95 HG22 THR 95 8.370 -1.496 -6.616 763 HG23 THR 95 HG23 THR 95 10.072 -1.856 -6.902 764 H GLY 96 H GLY 96 11.772 -3.849 -9.716 765 HA2 GLY 96 HA2 GLY 96 13.904 -2.042 -8.874 766 HA3 GLY 96 HA3 GLY 96 13.555 -3.379 -7.785 767 H GLY 97 H GLY 97 15.958 -2.747 -9.413 768 HA2 GLY 97 HA2 GLY 97 16.787 -5.279 -10.024 769 HA3 GLY 97 HA3 GLY 97 16.062 -4.671 -11.508 Start of MODEL 6 1 H MET 1 H MET 1 12.028 5.861 54.403 2 HA MET 1 HA MET 1 14.959 5.998 54.815 3 HB2 MET 1 HB2 MET 1 13.688 6.711 56.796 4 HB3 MET 1 HB3 MET 1 12.751 5.225 56.732 5 HG2 MET 1 HG2 MET 1 14.824 3.938 57.107 6 HG3 MET 1 HG3 MET 1 15.707 5.454 57.255 7 HE1 MET 1 HE1 MET 1 12.453 4.033 60.208 8 HE2 MET 1 HE2 MET 1 12.984 3.114 58.799 9 HE3 MET 1 HE3 MET 1 12.070 4.607 58.586 10 H SER 2 H SER 2 12.071 3.867 54.771 11 HA SER 2 HA SER 2 13.789 1.543 54.591 12 HB2 SER 2 HB2 SER 2 10.766 1.748 54.484 13 HB3 SER 2 HB3 SER 2 11.707 0.273 54.707 14 HG SER 2 HG SER 2 10.893 1.137 56.686 15 H ASP 3 H ASP 3 11.689 3.523 52.643 16 HA ASP 3 HA ASP 3 12.045 1.861 50.299 17 HB2 ASP 3 HB2 ASP 3 10.604 4.494 50.684 18 HB3 ASP 3 HB3 ASP 3 10.653 3.594 49.173 19 H GLN 4 H GLN 4 13.335 2.365 48.594 20 HA GLN 4 HA GLN 4 14.912 4.825 48.826 21 HB2 GLN 4 HB2 GLN 4 16.817 3.651 47.820 22 HB3 GLN 4 HB3 GLN 4 16.320 2.870 49.311 23 HG2 GLN 4 HG2 GLN 4 15.142 1.159 48.001 24 HG3 GLN 4 HG3 GLN 4 15.698 1.936 46.518 25 HE21 GLN 4 HE21 GLN 4 16.219 -0.750 47.456 26 HE22 GLN 4 HE22 GLN 4 17.934 -0.901 47.590 27 H GLU 5 H GLU 5 12.442 4.170 47.529 28 HA GLU 5 HA GLU 5 12.966 4.160 44.688 29 HB2 GLU 5 HB2 GLU 5 11.016 2.978 45.750 30 HB3 GLU 5 HB3 GLU 5 10.349 4.546 46.165 31 HG2 GLU 5 HG2 GLU 5 9.346 3.503 44.152 32 HG3 GLU 5 HG3 GLU 5 10.034 5.102 43.869 33 H ALA 6 H ALA 6 11.748 5.911 43.375 34 HA ALA 6 HA ALA 6 11.971 8.522 44.686 35 HB1 ALA 6 HB1 ALA 6 13.106 7.837 41.973 36 HB2 ALA 6 HB2 ALA 6 14.045 8.129 43.437 37 HB3 ALA 6 HB3 ALA 6 13.100 9.434 42.721 38 H LYS 7 H LYS 7 11.214 10.181 42.788 39 HA LYS 7 HA LYS 7 8.452 9.823 42.539 40 HB2 LYS 7 HB2 LYS 7 8.511 11.776 41.044 41 HB3 LYS 7 HB3 LYS 7 9.483 12.035 42.484 42 HG2 LYS 7 HG2 LYS 7 11.503 11.801 41.299 43 HG3 LYS 7 HG3 LYS 7 10.695 11.088 39.905 44 HD2 LYS 7 HD2 LYS 7 10.261 13.926 40.834 45 HD3 LYS 7 HD3 LYS 7 11.422 13.465 39.589 46 HE2 LYS 7 HE2 LYS 7 9.550 12.465 38.290 47 HE3 LYS 7 HE3 LYS 7 8.427 13.073 39.504 48 HZ1 LYS 7 HZ1 LYS 7 9.176 15.324 38.992 49 HZ2 LYS 7 HZ2 LYS 7 8.540 14.569 37.628 50 HZ3 LYS 7 HZ3 LYS 7 10.210 14.725 37.802 51 HA PRO 8 HA PRO 8 8.155 7.450 38.767 52 HB2 PRO 8 HB2 PRO 8 5.600 7.984 38.100 53 HB3 PRO 8 HB3 PRO 8 5.992 6.987 39.505 54 HG2 PRO 8 HG2 PRO 8 5.220 9.874 39.390 55 HG3 PRO 8 HG3 PRO 8 4.687 8.618 40.521 56 HD2 PRO 8 HD2 PRO 8 6.631 10.455 41.099 57 HD3 PRO 8 HD3 PRO 8 6.551 8.843 41.835 58 H SER 9 H SER 9 6.512 8.275 36.559 59 HA SER 9 HA SER 9 7.337 10.921 35.826 60 HB2 SER 9 HB2 SER 9 8.460 10.060 33.719 61 HB3 SER 9 HB3 SER 9 9.362 9.797 35.213 62 HG SER 9 HG SER 9 9.092 7.711 35.029 63 H THR 10 H THR 10 5.904 11.777 34.432 64 HA THR 10 HA THR 10 3.644 10.131 33.634 65 HB THR 10 HB THR 10 3.976 13.068 33.022 66 HG1 THR 10 HG1 THR 10 3.402 11.783 35.492 67 HG21 THR 10 HG21 THR 10 2.056 11.857 32.054 68 HG22 THR 10 HG22 THR 10 1.540 13.067 33.231 69 HG23 THR 10 HG23 THR 10 1.566 11.358 33.673 70 H GLU 11 H GLU 11 5.834 9.274 32.291 71 HA GLU 11 HA GLU 11 5.501 10.366 29.580 72 HB2 GLU 11 HB2 GLU 11 8.031 9.470 30.917 73 HB3 GLU 11 HB3 GLU 11 7.908 9.884 29.212 74 HG2 GLU 11 HG2 GLU 11 7.281 12.165 29.787 75 HG3 GLU 11 HG3 GLU 11 7.339 11.761 31.501 76 H ASP 12 H ASP 12 4.781 7.841 31.316 77 HA ASP 12 HA ASP 12 5.724 5.777 29.472 78 HB2 ASP 12 HB2 ASP 12 4.490 5.780 32.168 79 HB3 ASP 12 HB3 ASP 12 4.270 4.344 31.171 80 H LEU 13 H LEU 13 3.197 7.829 29.775 81 HA LEU 13 HA LEU 13 1.483 6.095 28.142 82 HB2 LEU 13 HB2 LEU 13 -0.441 7.531 29.083 83 HB3 LEU 13 HB3 LEU 13 0.222 6.247 30.068 84 HG LEU 13 HG LEU 13 1.616 8.017 31.226 85 HD11 LEU 13 HD11 LEU 13 0.801 10.319 31.120 86 HD12 LEU 13 HD12 LEU 13 -0.277 9.863 29.800 87 HD13 LEU 13 HD13 LEU 13 1.472 9.774 29.581 88 HD21 LEU 13 HD21 LEU 13 -0.236 8.741 32.657 89 HD22 LEU 13 HD22 LEU 13 -0.337 7.026 32.264 90 HD23 LEU 13 HD23 LEU 13 -1.384 8.183 31.441 91 H GLY 14 H GLY 14 -0.098 7.378 26.764 92 HA2 GLY 14 HA2 GLY 14 1.446 9.194 25.185 93 HA3 GLY 14 HA3 GLY 14 -0.218 8.700 24.894 94 H ASP 15 H ASP 15 -1.782 9.568 26.644 95 HA ASP 15 HA ASP 15 -2.661 11.205 27.956 96 HB2 ASP 15 HB2 ASP 15 -0.547 11.687 29.046 97 HB3 ASP 15 HB3 ASP 15 0.012 12.592 27.646 98 H LYS 16 H LYS 16 -0.883 12.206 25.117 99 HA LYS 16 HA LYS 16 -3.194 13.852 24.367 100 HB2 LYS 16 HB2 LYS 16 -1.512 15.288 23.130 101 HB3 LYS 16 HB3 LYS 16 -1.499 15.408 24.886 102 HG2 LYS 16 HG2 LYS 16 0.408 13.816 24.924 103 HG3 LYS 16 HG3 LYS 16 0.435 13.875 23.162 104 HD2 LYS 16 HD2 LYS 16 0.869 16.264 23.238 105 HD3 LYS 16 HD3 LYS 16 0.787 16.236 25.000 106 HE2 LYS 16 HE2 LYS 16 2.692 14.704 25.061 107 HE3 LYS 16 HE3 LYS 16 2.773 14.738 23.304 108 HZ1 LYS 16 HZ1 LYS 16 3.278 17.079 23.388 109 HZ2 LYS 16 HZ2 LYS 16 4.384 16.221 24.334 110 HZ3 LYS 16 HZ3 LYS 16 3.140 17.091 25.073 111 H LYS 17 H LYS 17 -4.207 12.869 22.750 112 HA LYS 17 HA LYS 17 -2.919 11.038 20.995 113 HB2 LYS 17 HB2 LYS 17 -5.263 10.791 21.684 114 HB3 LYS 17 HB3 LYS 17 -5.662 12.294 20.876 115 HG2 LYS 17 HG2 LYS 17 -6.338 10.401 19.544 116 HG3 LYS 17 HG3 LYS 17 -5.063 11.307 18.732 117 HD2 LYS 17 HD2 LYS 17 -4.568 8.987 18.466 118 HD3 LYS 17 HD3 LYS 17 -3.424 9.633 19.636 119 HE2 LYS 17 HE2 LYS 17 -5.968 8.373 20.560 120 HE3 LYS 17 HE3 LYS 17 -4.607 7.357 20.084 121 HZ1 LYS 17 HZ1 LYS 17 -3.271 8.554 21.769 122 HZ2 LYS 17 HZ2 LYS 17 -4.569 7.707 22.429 123 HZ3 LYS 17 HZ3 LYS 17 -4.662 9.376 22.268 124 H GLU 18 H GLU 18 -2.226 11.345 18.937 125 HA GLU 18 HA GLU 18 -1.599 13.934 18.012 126 HB2 GLU 18 HB2 GLU 18 -1.758 11.381 16.405 127 HB3 GLU 18 HB3 GLU 18 -0.854 12.829 15.987 128 HG2 GLU 18 HG2 GLU 18 0.605 12.482 17.905 129 HG3 GLU 18 HG3 GLU 18 -0.324 11.048 18.349 130 H GLY 19 H GLY 19 -3.988 11.564 16.954 131 HA2 GLY 19 HA2 GLY 19 -6.061 13.334 16.493 132 HA3 GLY 19 HA3 GLY 19 -5.161 13.249 14.987 133 H GLU 20 H GLU 20 -6.859 12.316 13.882 134 HA GLU 20 HA GLU 20 -7.798 9.723 14.806 135 HB2 GLU 20 HB2 GLU 20 -9.579 9.985 13.117 136 HB3 GLU 20 HB3 GLU 20 -9.563 11.298 14.281 137 HG2 GLU 20 HG2 GLU 20 -8.253 11.539 11.586 138 HG3 GLU 20 HG3 GLU 20 -9.959 11.893 11.839 139 H TYR 21 H TYR 21 -8.102 8.078 13.185 140 HA TYR 21 HA TYR 21 -6.023 8.075 11.118 141 HB2 TYR 21 HB2 TYR 21 -7.023 5.757 12.803 142 HB3 TYR 21 HB3 TYR 21 -5.819 5.655 11.526 143 HD1 TYR 21 HD1 TYR 21 -6.406 7.522 14.735 144 HD2 TYR 21 HD2 TYR 21 -3.602 5.617 12.160 145 HE1 TYR 21 HE1 TYR 21 -4.643 7.878 16.401 146 HE2 TYR 21 HE2 TYR 21 -1.827 5.983 13.823 147 HH TYR 21 HH TYR 21 -2.392 6.682 16.948 148 H ILE 22 H ILE 22 -6.640 7.094 9.143 149 HA ILE 22 HA ILE 22 -9.521 6.633 8.943 150 HB ILE 22 HB ILE 22 -9.261 7.073 6.525 151 HG12 ILE 22 HG12 ILE 22 -6.696 8.465 6.895 152 HG13 ILE 22 HG13 ILE 22 -6.606 6.707 6.896 153 HG21 ILE 22 HG21 ILE 22 -8.403 9.312 8.352 154 HG22 ILE 22 HG22 ILE 22 -10.061 8.825 7.991 155 HG23 ILE 22 HG23 ILE 22 -9.048 9.515 6.723 156 HD11 ILE 22 HD11 ILE 22 -7.817 6.684 4.756 157 HD12 ILE 22 HD12 ILE 22 -6.265 7.528 4.670 158 HD13 ILE 22 HD13 ILE 22 -7.772 8.450 4.741 159 H LYS 23 H LYS 23 -10.256 4.894 7.770 160 HA LYS 23 HA LYS 23 -8.361 2.665 7.618 161 HB2 LYS 23 HB2 LYS 23 -10.365 1.238 7.589 162 HB3 LYS 23 HB3 LYS 23 -10.342 2.290 9.000 163 HG2 LYS 23 HG2 LYS 23 -11.977 3.732 8.053 164 HG3 LYS 23 HG3 LYS 23 -11.872 2.919 6.492 165 HD2 LYS 23 HD2 LYS 23 -12.706 0.851 7.576 166 HD3 LYS 23 HD3 LYS 23 -12.923 1.771 9.068 167 HE2 LYS 23 HE2 LYS 23 -14.182 2.494 6.443 168 HE3 LYS 23 HE3 LYS 23 -14.985 1.513 7.671 169 HZ1 LYS 23 HZ1 LYS 23 -15.671 3.791 7.874 170 HZ2 LYS 23 HZ2 LYS 23 -14.082 4.345 7.970 171 HZ3 LYS 23 HZ3 LYS 23 -14.733 3.399 9.220 172 H LEU 24 H LEU 24 -8.146 1.462 5.757 173 HA LEU 24 HA LEU 24 -9.660 2.237 3.406 174 HB2 LEU 24 HB2 LEU 24 -6.654 2.129 3.240 175 HB3 LEU 24 HB3 LEU 24 -7.787 2.649 2.023 176 HG LEU 24 HG LEU 24 -8.347 4.504 3.811 177 HD11 LEU 24 HD11 LEU 24 -5.481 3.820 4.436 178 HD12 LEU 24 HD12 LEU 24 -6.854 3.580 5.517 179 HD13 LEU 24 HD13 LEU 24 -6.387 5.209 5.035 180 HD21 LEU 24 HD21 LEU 24 -6.699 5.932 2.704 181 HD22 LEU 24 HD22 LEU 24 -7.586 4.916 1.569 182 HD23 LEU 24 HD23 LEU 24 -5.935 4.497 2.025 183 H LYS 25 H LYS 25 -8.577 0.803 1.473 184 HA LYS 25 HA LYS 25 -7.919 -1.848 2.417 185 HB2 LYS 25 HB2 LYS 25 -10.355 -1.881 2.537 186 HB3 LYS 25 HB3 LYS 25 -10.467 -1.264 0.902 187 HG2 LYS 25 HG2 LYS 25 -8.994 -3.804 1.251 188 HG3 LYS 25 HG3 LYS 25 -10.733 -3.857 1.525 189 HD2 LYS 25 HD2 LYS 25 -9.399 -2.780 -0.956 190 HD3 LYS 25 HD3 LYS 25 -10.091 -4.397 -0.800 191 HE2 LYS 25 HE2 LYS 25 -11.607 -1.813 -0.473 192 HE3 LYS 25 HE3 LYS 25 -11.609 -2.815 -1.923 193 HZ1 LYS 25 HZ1 LYS 25 -12.609 -3.622 0.761 194 HZ2 LYS 25 HZ2 LYS 25 -12.574 -4.619 -0.601 195 HZ3 LYS 25 HZ3 LYS 25 -13.551 -3.245 -0.589 196 H VAL 26 H VAL 26 -6.926 -3.083 0.833 197 HA VAL 26 HA VAL 26 -6.666 -1.871 -1.825 198 HB VAL 26 HB VAL 26 -4.307 -1.937 -1.928 199 HG11 VAL 26 HG11 VAL 26 -3.543 -0.515 -0.139 200 HG12 VAL 26 HG12 VAL 26 -4.907 -1.017 0.863 201 HG13 VAL 26 HG13 VAL 26 -5.193 -0.067 -0.587 202 HG21 VAL 26 HG21 VAL 26 -2.869 -2.892 -0.189 203 HG22 VAL 26 HG22 VAL 26 -3.939 -4.095 -0.915 204 HG23 VAL 26 HG23 VAL 26 -4.307 -3.433 0.677 205 H ILE 27 H ILE 27 -6.414 -3.284 -3.492 206 HA ILE 27 HA ILE 27 -6.438 -6.151 -2.781 207 HB ILE 27 HB ILE 27 -7.977 -4.829 -5.029 208 HG12 ILE 27 HG12 ILE 27 -9.120 -6.125 -2.571 209 HG13 ILE 27 HG13 ILE 27 -8.734 -4.408 -2.622 210 HG21 ILE 27 HG21 ILE 27 -7.985 -7.679 -4.025 211 HG22 ILE 27 HG22 ILE 27 -7.292 -7.119 -5.546 212 HG23 ILE 27 HG23 ILE 27 -9.035 -7.031 -5.287 213 HD11 ILE 27 HD11 ILE 27 -11.089 -4.821 -3.068 214 HD12 ILE 27 HD12 ILE 27 -10.657 -5.832 -4.450 215 HD13 ILE 27 HD13 ILE 27 -10.283 -4.105 -4.462 216 H GLY 28 H GLY 28 -5.254 -7.494 -4.080 217 HA2 GLY 28 HA2 GLY 28 -3.719 -6.152 -6.200 218 HA3 GLY 28 HA3 GLY 28 -2.990 -7.336 -5.117 219 H GLN 29 H GLN 29 -2.665 -7.772 -7.689 220 HA GLN 29 HA GLN 29 -4.724 -9.201 -8.997 221 HB2 GLN 29 HB2 GLN 29 -3.105 -9.753 -10.647 222 HB3 GLN 29 HB3 GLN 29 -2.749 -8.135 -10.080 223 HG2 GLN 29 HG2 GLN 29 -1.280 -10.640 -9.321 224 HG3 GLN 29 HG3 GLN 29 -0.716 -9.404 -10.442 225 HE21 GLN 29 HE21 GLN 29 -0.937 -10.408 -7.221 226 HE22 GLN 29 HE22 GLN 29 -0.140 -9.051 -6.488 227 H ASP 30 H ASP 30 -2.961 -10.021 -6.354 228 HA ASP 30 HA ASP 30 -2.743 -12.864 -6.816 229 HB2 ASP 30 HB2 ASP 30 -1.103 -11.632 -5.407 230 HB3 ASP 30 HB3 ASP 30 -2.400 -11.226 -4.291 231 H SER 31 H SER 31 -5.286 -10.867 -6.332 232 HA SER 31 HA SER 31 -7.417 -11.094 -5.691 233 HB2 SER 31 HB2 SER 31 -6.752 -14.013 -5.217 234 HB3 SER 31 HB3 SER 31 -8.370 -13.321 -5.350 235 HG SER 31 HG SER 31 -6.504 -13.892 -7.319 236 H SER 32 H SER 32 -5.040 -10.812 -3.816 237 HA SER 32 HA SER 32 -6.403 -11.414 -1.316 238 HB2 SER 32 HB2 SER 32 -3.526 -10.694 -1.916 239 HB3 SER 32 HB3 SER 32 -4.177 -10.880 -0.286 240 HG SER 32 HG SER 32 -3.428 -12.794 -2.104 241 H GLU 33 H GLU 33 -6.417 -9.747 0.323 242 HA GLU 33 HA GLU 33 -6.046 -7.032 -0.555 243 HB2 GLU 33 HB2 GLU 33 -8.308 -6.308 -0.122 244 HB3 GLU 33 HB3 GLU 33 -8.344 -7.602 -1.312 245 HG2 GLU 33 HG2 GLU 33 -9.075 -9.177 0.345 246 HG3 GLU 33 HG3 GLU 33 -8.900 -7.971 1.619 247 H ILE 34 H ILE 34 -6.220 -5.537 1.239 248 HA ILE 34 HA ILE 34 -6.355 -6.798 3.862 249 HB ILE 34 HB ILE 34 -3.967 -6.807 3.242 250 HG12 ILE 34 HG12 ILE 34 -4.430 -4.785 5.412 251 HG13 ILE 34 HG13 ILE 34 -4.882 -6.477 5.605 252 HG21 ILE 34 HG21 ILE 34 -2.764 -4.635 3.196 253 HG22 ILE 34 HG22 ILE 34 -4.330 -3.822 3.122 254 HG23 ILE 34 HG23 ILE 34 -3.831 -4.902 1.819 255 HD11 ILE 34 HD11 ILE 34 -2.589 -7.126 5.240 256 HD12 ILE 34 HD12 ILE 34 -2.733 -6.004 6.597 257 HD13 ILE 34 HD13 ILE 34 -2.129 -5.437 5.035 258 H HIS 35 H HIS 35 -7.052 -5.487 5.485 259 HA HIS 35 HA HIS 35 -7.955 -2.795 4.688 260 HB2 HIS 35 HB2 HIS 35 -8.995 -4.493 6.988 261 HB3 HIS 35 HB3 HIS 35 -9.690 -2.996 6.391 262 HD1 HIS 35 HD1 HIS 35 -11.494 -5.434 6.584 263 HD2 HIS 35 HD2 HIS 35 -9.304 -4.505 3.178 264 HE1 HIS 35 HE1 HIS 35 -12.667 -6.590 4.682 265 HE2 HIS 35 HE2 HIS 35 -11.223 -6.151 2.657 266 H PHE 36 H PHE 36 -7.187 -1.076 5.898 267 HA PHE 36 HA PHE 36 -5.798 -1.638 8.405 268 HB2 PHE 36 HB2 PHE 36 -3.834 -0.200 7.545 269 HB3 PHE 36 HB3 PHE 36 -3.896 -1.874 7.039 270 HD1 PHE 36 HD1 PHE 36 -4.628 1.574 5.985 271 HD2 PHE 36 HD2 PHE 36 -4.024 -2.448 4.782 272 HE1 PHE 36 HE1 PHE 36 -4.534 2.296 3.638 273 HE2 PHE 36 HE2 PHE 36 -3.933 -1.740 2.440 274 HZ PHE 36 HZ PHE 36 -4.191 0.643 1.866 275 HH31 ALY 37 HH31 ALY 37 -4.417 -2.168 15.787 276 HH32 ALY 37 HH32 ALY 37 -5.889 -2.600 16.683 277 HH33 ALY 37 HH33 ALY 37 -5.265 -0.938 16.712 278 HZ ALY 37 HZ ALY 37 -5.105 -0.792 13.434 279 HE3 ALY 37 HE3 ALY 37 -6.493 1.005 15.297 280 HE2 ALY 37 HE2 ALY 37 -4.965 1.339 14.483 281 HD3 ALY 37 HD3 ALY 37 -7.668 1.138 13.152 282 HD2 ALY 37 HD2 ALY 37 -6.800 2.631 13.511 283 HG3 ALY 37 HG3 ALY 37 -4.974 1.916 12.031 284 HG2 ALY 37 HG2 ALY 37 -5.864 0.435 11.663 285 HB3 ALY 37 HB3 ALY 37 -7.678 1.738 10.708 286 HB2 ALY 37 HB2 ALY 37 -6.856 3.228 11.136 287 HCA ALY 37 HCA ALY 37 -6.661 2.661 8.719 288 H ALY 37 H ALY 37 -5.082 0.327 9.504 289 H VAL 38 H VAL 38 -5.339 4.119 7.966 290 HA VAL 38 HA VAL 38 -2.672 4.365 9.139 291 HB VAL 38 HB VAL 38 -1.922 5.402 7.131 292 HG11 VAL 38 HG11 VAL 38 -2.408 2.884 7.135 293 HG12 VAL 38 HG12 VAL 38 -2.118 3.664 5.583 294 HG13 VAL 38 HG13 VAL 38 -3.762 3.281 6.084 295 HG21 VAL 38 HG21 VAL 38 -4.804 5.486 6.241 296 HG22 VAL 38 HG22 VAL 38 -3.419 5.950 5.252 297 HG23 VAL 38 HG23 VAL 38 -3.815 6.871 6.704 298 H LYS 39 H LYS 39 -1.915 6.813 8.844 299 HA LYS 39 HA LYS 39 -3.810 8.329 10.489 300 HB2 LYS 39 HB2 LYS 39 -0.991 9.123 9.719 301 HB3 LYS 39 HB3 LYS 39 -1.949 9.727 11.063 302 HG2 LYS 39 HG2 LYS 39 -1.789 7.598 12.190 303 HG3 LYS 39 HG3 LYS 39 -0.936 6.906 10.813 304 HD2 LYS 39 HD2 LYS 39 0.703 7.424 12.456 305 HD3 LYS 39 HD3 LYS 39 0.854 8.635 11.183 306 HE2 LYS 39 HE2 LYS 39 -0.390 10.232 12.525 307 HE3 LYS 39 HE3 LYS 39 -0.642 9.016 13.777 308 HZ1 LYS 39 HZ1 LYS 39 1.784 8.915 14.052 309 HZ2 LYS 39 HZ2 LYS 39 1.169 10.443 14.408 310 HZ3 LYS 39 HZ3 LYS 39 1.962 10.175 12.938 311 H MET 40 H MET 40 -3.846 10.781 9.947 312 HA MET 40 HA MET 40 -4.933 11.172 7.402 313 HB2 MET 40 HB2 MET 40 -5.348 12.655 9.348 314 HB3 MET 40 HB3 MET 40 -3.702 13.252 9.221 315 HG2 MET 40 HG2 MET 40 -5.114 14.884 8.252 316 HG3 MET 40 HG3 MET 40 -4.271 14.086 6.929 317 HE1 MET 40 HE1 MET 40 -5.592 11.790 5.728 318 HE2 MET 40 HE2 MET 40 -5.455 13.310 4.849 319 HE3 MET 40 HE3 MET 40 -6.986 12.437 4.864 320 H THR 41 H THR 41 -1.712 11.818 8.650 321 HA THR 41 HA THR 41 -0.752 11.908 5.870 322 HB THR 41 HB THR 41 0.897 13.593 6.485 323 HG1 THR 41 HG1 THR 41 0.819 12.716 8.828 324 HG21 THR 41 HG21 THR 41 -1.390 14.384 5.889 325 HG22 THR 41 HG22 THR 41 -0.547 15.494 6.968 326 HG23 THR 41 HG23 THR 41 -1.792 14.412 7.600 327 H THR 42 H THR 42 0.560 10.141 5.570 328 HA THR 42 HA THR 42 2.661 9.475 7.325 329 HB THR 42 HB THR 42 0.686 8.545 8.633 330 HG1 THR 42 HG1 THR 42 2.685 7.644 9.059 331 HG21 THR 42 HG21 THR 42 -0.279 6.429 7.840 332 HG22 THR 42 HG22 THR 42 0.623 6.589 6.332 333 HG23 THR 42 HG23 THR 42 -0.645 7.753 6.729 334 H HIS 43 H HIS 43 3.867 7.603 6.575 335 HA HIS 43 HA HIS 43 3.815 7.385 3.716 336 HB2 HIS 43 HB2 HIS 43 5.518 6.039 5.810 337 HB3 HIS 43 HB3 HIS 43 5.742 5.829 4.078 338 HD1 HIS 43 HD1 HIS 43 7.595 7.292 6.423 339 HD2 HIS 43 HD2 HIS 43 5.605 8.984 3.195 340 HE1 HIS 43 HE1 HIS 43 8.784 9.451 5.957 341 HE2 HIS 43 HE2 HIS 43 7.750 10.278 3.821 342 H LEU 44 H LEU 44 2.652 5.979 2.610 343 HA LEU 44 HA LEU 44 1.057 3.993 3.753 344 HB2 LEU 44 HB2 LEU 44 1.950 4.281 0.891 345 HB3 LEU 44 HB3 LEU 44 0.649 3.242 1.438 346 HG LEU 44 HG LEU 44 0.731 6.249 1.491 347 HD11 LEU 44 HD11 LEU 44 0.164 5.395 -0.659 348 HD12 LEU 44 HD12 LEU 44 -1.307 6.005 0.096 349 HD13 LEU 44 HD13 LEU 44 -1.000 4.268 0.034 350 HD21 LEU 44 HD21 LEU 44 -1.567 6.104 2.437 351 HD22 LEU 44 HD22 LEU 44 -0.312 5.554 3.545 352 HD23 LEU 44 HD23 LEU 44 -1.312 4.378 2.691 353 H LYS 45 H LYS 45 4.354 3.871 3.294 354 HA LYS 45 HA LYS 45 4.878 1.271 2.502 355 HB2 LYS 45 HB2 LYS 45 6.531 3.138 2.900 356 HB3 LYS 45 HB3 LYS 45 6.389 2.817 4.617 357 HG2 LYS 45 HG2 LYS 45 7.109 0.567 2.822 358 HG3 LYS 45 HG3 LYS 45 8.334 1.786 3.145 359 HD2 LYS 45 HD2 LYS 45 6.837 0.191 5.229 360 HD3 LYS 45 HD3 LYS 45 8.487 -0.121 4.689 361 HE2 LYS 45 HE2 LYS 45 9.145 2.116 5.500 362 HE3 LYS 45 HE3 LYS 45 7.505 2.374 6.087 363 HZ1 LYS 45 HZ1 LYS 45 8.828 1.664 7.906 364 HZ2 LYS 45 HZ2 LYS 45 9.454 0.360 7.043 365 HZ3 LYS 45 HZ3 LYS 45 7.829 0.356 7.499 366 H LYS 46 H LYS 46 3.659 2.504 5.547 367 HA LYS 46 HA LYS 46 4.152 0.271 7.175 368 HB2 LYS 46 HB2 LYS 46 2.448 1.166 8.668 369 HB3 LYS 46 HB3 LYS 46 3.468 2.462 8.069 370 HG2 LYS 46 HG2 LYS 46 1.479 3.495 7.770 371 HG3 LYS 46 HG3 LYS 46 1.485 2.587 6.259 372 HD2 LYS 46 HD2 LYS 46 -0.661 2.285 7.257 373 HD3 LYS 46 HD3 LYS 46 0.216 0.770 7.452 374 HE2 LYS 46 HE2 LYS 46 0.742 1.325 9.746 375 HE3 LYS 46 HE3 LYS 46 -0.020 2.912 9.561 376 HZ1 LYS 46 HZ1 LYS 46 -1.410 0.295 9.387 377 HZ2 LYS 46 HZ2 LYS 46 -2.143 1.819 9.279 378 HZ3 LYS 46 HZ3 LYS 46 -1.427 1.328 10.719 379 H LEU 47 H LEU 47 1.710 0.843 4.749 380 HA LEU 47 HA LEU 47 0.108 -1.375 5.684 381 HB2 LEU 47 HB2 LEU 47 -1.464 -0.863 4.006 382 HB3 LEU 47 HB3 LEU 47 -0.901 0.676 4.607 383 HG LEU 47 HG LEU 47 0.734 0.453 2.516 384 HD11 LEU 47 HD11 LEU 47 -1.725 -1.075 1.678 385 HD12 LEU 47 HD12 LEU 47 -0.090 -1.724 1.814 386 HD13 LEU 47 HD13 LEU 47 -0.453 -0.494 0.602 387 HD21 LEU 47 HD21 LEU 47 -0.712 2.315 2.932 388 HD22 LEU 47 HD22 LEU 47 -2.126 1.373 2.461 389 HD23 LEU 47 HD23 LEU 47 -0.905 1.796 1.257 390 H LYS 48 H LYS 48 2.466 -0.649 3.204 391 HA LYS 48 HA LYS 48 2.345 -3.027 1.735 392 HB2 LYS 48 HB2 LYS 48 4.551 -1.113 2.351 393 HB3 LYS 48 HB3 LYS 48 4.966 -2.658 1.632 394 HG2 LYS 48 HG2 LYS 48 4.792 -1.126 -0.125 395 HG3 LYS 48 HG3 LYS 48 3.330 -2.114 -0.199 396 HD2 LYS 48 HD2 LYS 48 2.041 -0.363 0.805 397 HD3 LYS 48 HD3 LYS 48 3.495 0.595 1.113 398 HE2 LYS 48 HE2 LYS 48 2.105 0.025 -1.473 399 HE3 LYS 48 HE3 LYS 48 2.632 1.571 -0.809 400 HZ1 LYS 48 HZ1 LYS 48 4.977 0.692 -1.116 401 HZ2 LYS 48 HZ2 LYS 48 4.138 1.057 -2.543 402 HZ3 LYS 48 HZ3 LYS 48 4.302 -0.543 -2.045 403 H GLU 49 H GLU 49 4.032 -2.290 4.737 404 HA GLU 49 HA GLU 49 5.339 -4.778 4.980 405 HB2 GLU 49 HB2 GLU 49 4.521 -2.847 7.140 406 HB3 GLU 49 HB3 GLU 49 5.692 -4.149 7.304 407 HG2 GLU 49 HG2 GLU 49 7.028 -3.068 5.530 408 HG3 GLU 49 HG3 GLU 49 5.913 -1.708 5.582 409 H SER 50 H SER 50 2.427 -3.497 6.546 410 HA SER 50 HA SER 50 1.738 -5.851 7.880 411 HB2 SER 50 HB2 SER 50 0.000 -3.572 6.898 412 HB3 SER 50 HB3 SER 50 -0.591 -4.871 7.941 413 HG SER 50 HG SER 50 1.744 -3.655 8.771 414 H TYR 51 H TYR 51 1.363 -4.965 4.592 415 HA TYR 51 HA TYR 51 -0.567 -7.016 3.917 416 HB2 TYR 51 HB2 TYR 51 -0.098 -4.870 2.556 417 HB3 TYR 51 HB3 TYR 51 1.326 -5.704 1.956 418 HD1 TYR 51 HD1 TYR 51 0.579 -8.312 1.236 419 HD2 TYR 51 HD2 TYR 51 -1.808 -4.807 1.028 420 HE1 TYR 51 HE1 TYR 51 -0.775 -9.352 -0.534 421 HE2 TYR 51 HE2 TYR 51 -3.182 -5.846 -0.748 422 HH TYR 51 HH TYR 51 -3.021 -7.570 -2.403 423 H CYS 52 H CYS 52 2.884 -6.579 3.269 424 HA CYS 52 HA CYS 52 3.392 -9.135 2.269 425 HB2 CYS 52 HB2 CYS 52 4.910 -7.218 1.988 426 HB3 CYS 52 HB3 CYS 52 5.314 -7.274 3.694 427 HG CYS 52 HG CYS 52 5.940 -9.830 1.519 428 H GLN 53 H GLN 53 3.356 -7.978 5.576 429 HA GLN 53 HA GLN 53 4.528 -10.312 6.709 430 HB2 GLN 53 HB2 GLN 53 2.869 -8.114 7.935 431 HB3 GLN 53 HB3 GLN 53 3.666 -9.386 8.853 432 HG2 GLN 53 HG2 GLN 53 5.167 -7.614 6.993 433 HG3 GLN 53 HG3 GLN 53 4.847 -7.128 8.657 434 HE21 GLN 53 HE21 GLN 53 7.369 -7.588 7.415 435 HE22 GLN 53 HE22 GLN 53 8.137 -8.892 8.249 436 H ARG 54 H ARG 54 1.194 -9.277 6.136 437 HA ARG 54 HA ARG 54 0.131 -11.525 7.601 438 HB2 ARG 54 HB2 ARG 54 -0.991 -9.335 7.590 439 HB3 ARG 54 HB3 ARG 54 -1.295 -9.526 5.867 440 HG2 ARG 54 HG2 ARG 54 -2.819 -11.265 6.207 441 HG3 ARG 54 HG3 ARG 54 -2.268 -11.542 7.861 442 HD2 ARG 54 HD2 ARG 54 -3.160 -9.392 8.531 443 HD3 ARG 54 HD3 ARG 54 -3.692 -9.078 6.878 444 HE ARG 54 HE ARG 54 -4.907 -11.422 7.490 445 HH11 ARG 54 HH11 ARG 54 -4.795 -8.324 9.135 446 HH12 ARG 54 HH12 ARG 54 -6.378 -8.476 9.807 447 HH21 ARG 54 HH21 ARG 54 -7.025 -11.617 8.384 448 HH22 ARG 54 HH22 ARG 54 -7.640 -10.346 9.384 449 H GLN 55 H GLN 55 0.156 -10.501 4.190 450 HA GLN 55 HA GLN 55 -1.080 -12.980 3.392 451 HB2 GLN 55 HB2 GLN 55 -0.199 -10.515 1.948 452 HB3 GLN 55 HB3 GLN 55 -0.532 -11.980 1.035 453 HG2 GLN 55 HG2 GLN 55 -2.502 -10.661 1.008 454 HG3 GLN 55 HG3 GLN 55 -2.801 -12.025 2.078 455 HE21 GLN 55 HE21 GLN 55 -0.947 -9.118 2.870 456 HE22 GLN 55 HE22 GLN 55 -2.054 -8.540 4.066 457 H GLY 56 H GLY 56 2.072 -11.947 3.973 458 HA2 GLY 56 HA2 GLY 56 4.110 -12.950 3.699 459 HA3 GLY 56 HA3 GLY 56 3.216 -14.447 3.488 460 H VAL 57 H VAL 57 3.132 -11.586 1.425 461 HA VAL 57 HA VAL 57 4.333 -13.194 -0.717 462 HB VAL 57 HB VAL 57 2.903 -11.849 -2.322 463 HG11 VAL 57 HG11 VAL 57 1.478 -13.650 -0.367 464 HG12 VAL 57 HG12 VAL 57 2.377 -14.162 -1.795 465 HG13 VAL 57 HG13 VAL 57 0.896 -13.222 -1.975 466 HG21 VAL 57 HG21 VAL 57 2.306 -10.037 -0.788 467 HG22 VAL 57 HG22 VAL 57 1.385 -11.172 0.196 468 HG23 VAL 57 HG23 VAL 57 0.869 -10.816 -1.454 469 HA PRO 58 HA PRO 58 7.278 -9.979 -1.255 470 HB2 PRO 58 HB2 PRO 58 7.646 -10.035 -3.966 471 HB3 PRO 58 HB3 PRO 58 8.318 -11.242 -2.865 472 HG2 PRO 58 HG2 PRO 58 5.851 -11.383 -4.551 473 HG3 PRO 58 HG3 PRO 58 7.085 -12.624 -4.264 474 HD2 PRO 58 HD2 PRO 58 4.713 -12.648 -2.993 475 HD3 PRO 58 HD3 PRO 58 6.207 -13.203 -2.211 476 H MET 59 H MET 59 6.472 -7.995 -0.821 477 HA MET 59 HA MET 59 4.441 -6.745 -2.375 478 HB2 MET 59 HB2 MET 59 5.872 -6.203 0.098 479 HB3 MET 59 HB3 MET 59 5.595 -4.748 -0.847 480 HG2 MET 59 HG2 MET 59 3.832 -5.214 0.840 481 HG3 MET 59 HG3 MET 59 3.218 -5.097 -0.804 482 HE1 MET 59 HE1 MET 59 1.935 -6.638 -1.938 483 HE2 MET 59 HE2 MET 59 1.496 -8.271 -1.460 484 HE3 MET 59 HE3 MET 59 3.057 -7.977 -2.214 485 H ASN 60 H ASN 60 7.671 -7.151 -2.959 486 HA ASN 60 HA ASN 60 8.110 -4.573 -4.244 487 HB2 ASN 60 HB2 ASN 60 9.854 -7.025 -3.981 488 HB3 ASN 60 HB3 ASN 60 10.326 -5.602 -4.897 489 HD21 ASN 60 HD21 ASN 60 8.464 -5.349 -1.975 490 HD22 ASN 60 HD22 ASN 60 9.713 -4.691 -0.985 491 H SER 61 H SER 61 7.708 -7.955 -5.221 492 HA SER 61 HA SER 61 8.114 -7.748 -7.934 493 HB2 SER 61 HB2 SER 61 6.095 -9.489 -6.513 494 HB3 SER 61 HB3 SER 61 6.672 -9.735 -8.163 495 HG SER 61 HG SER 61 8.762 -10.004 -7.338 496 H LEU 62 H LEU 62 5.327 -6.688 -6.145 497 HA LEU 62 HA LEU 62 4.205 -5.702 -8.651 498 HB2 LEU 62 HB2 LEU 62 1.977 -5.689 -7.315 499 HB3 LEU 62 HB3 LEU 62 2.543 -7.173 -8.030 500 HG LEU 62 HG LEU 62 1.512 -7.349 -5.739 501 HD11 LEU 62 HD11 LEU 62 2.830 -9.130 -6.697 502 HD12 LEU 62 HD12 LEU 62 3.062 -9.024 -4.951 503 HD13 LEU 62 HD13 LEU 62 4.300 -8.409 -6.046 504 HD21 LEU 62 HD21 LEU 62 2.532 -5.375 -4.732 505 HD22 LEU 62 HD22 LEU 62 4.119 -6.138 -4.837 506 HD23 LEU 62 HD23 LEU 62 2.871 -6.834 -3.808 507 H ARG 63 H ARG 63 2.790 -3.702 -8.254 508 HA ARG 63 HA ARG 63 4.002 -2.121 -6.099 509 HB2 ARG 63 HB2 ARG 63 4.033 -0.126 -7.494 510 HB3 ARG 63 HB3 ARG 63 5.025 -1.395 -8.186 511 HG2 ARG 63 HG2 ARG 63 2.218 -1.080 -9.125 512 HG3 ARG 63 HG3 ARG 63 3.450 0.054 -9.684 513 HD2 ARG 63 HD2 ARG 63 4.812 -2.019 -10.287 514 HD3 ARG 63 HD3 ARG 63 3.308 -2.913 -10.048 515 HE ARG 63 HE ARG 63 2.412 -1.920 -11.950 516 HH11 ARG 63 HH11 ARG 63 5.621 -0.604 -11.288 517 HH12 ARG 63 HH12 ARG 63 5.786 0.100 -12.855 518 HH21 ARG 63 HH21 ARG 63 2.644 -0.959 -14.011 519 HH22 ARG 63 HH22 ARG 63 4.084 -0.089 -14.405 520 H PHE 64 H PHE 64 2.738 -0.075 -5.675 521 HA PHE 64 HA PHE 64 -0.086 -0.850 -5.559 522 HB2 PHE 64 HB2 PHE 64 1.605 0.733 -3.617 523 HB3 PHE 64 HB3 PHE 64 -0.150 0.659 -3.520 524 HD1 PHE 64 HD1 PHE 64 2.707 -1.745 -3.867 525 HD2 PHE 64 HD2 PHE 64 -1.003 -0.824 -1.993 526 HE1 PHE 64 HE1 PHE 64 2.877 -3.800 -2.530 527 HE2 PHE 64 HE2 PHE 64 -0.837 -2.881 -0.654 528 HZ PHE 64 HZ PHE 64 1.102 -4.372 -0.922 529 H LEU 65 H LEU 65 -1.311 0.287 -6.798 530 HA LEU 65 HA LEU 65 -0.575 3.078 -7.405 531 HB2 LEU 65 HB2 LEU 65 -2.002 1.197 -9.267 532 HB3 LEU 65 HB3 LEU 65 -1.488 2.829 -9.616 533 HG LEU 65 HG LEU 65 0.313 0.443 -9.196 534 HD11 LEU 65 HD11 LEU 65 -0.247 2.119 -11.634 535 HD12 LEU 65 HD12 LEU 65 -0.814 0.473 -11.354 536 HD13 LEU 65 HD13 LEU 65 0.912 0.794 -11.532 537 HD21 LEU 65 HD21 LEU 65 2.151 1.958 -9.753 538 HD22 LEU 65 HD22 LEU 65 1.336 2.444 -8.265 539 HD23 LEU 65 HD23 LEU 65 1.026 3.316 -9.770 540 H PHE 66 H PHE 66 -2.115 4.550 -7.306 541 HA PHE 66 HA PHE 66 -4.765 3.628 -6.439 542 HB2 PHE 66 HB2 PHE 66 -3.732 4.863 -4.665 543 HB3 PHE 66 HB3 PHE 66 -3.251 6.145 -5.757 544 HD1 PHE 66 HD1 PHE 66 -6.539 4.444 -5.508 545 HD2 PHE 66 HD2 PHE 66 -4.305 8.009 -4.907 546 HE1 PHE 66 HE1 PHE 66 -8.607 5.647 -5.040 547 HE2 PHE 66 HE2 PHE 66 -6.378 9.228 -4.424 548 HZ PHE 66 HZ PHE 66 -8.530 8.050 -4.489 549 H GLU 67 H GLU 67 -5.928 3.593 -8.243 550 HA GLU 67 HA GLU 67 -6.884 4.203 -10.208 551 HB2 GLU 67 HB2 GLU 67 -8.174 6.234 -10.097 552 HB3 GLU 67 HB3 GLU 67 -8.112 5.541 -8.493 553 HG2 GLU 67 HG2 GLU 67 -6.506 7.168 -7.786 554 HG3 GLU 67 HG3 GLU 67 -6.358 7.790 -9.430 555 H GLY 68 H GLY 68 -4.030 4.391 -10.283 556 HA2 GLY 68 HA2 GLY 68 -2.817 4.894 -12.319 557 HA3 GLY 68 HA3 GLY 68 -3.742 6.384 -12.431 558 H GLN 69 H GLN 69 -2.910 6.020 -9.253 559 HA GLN 69 HA GLN 69 -0.665 7.880 -9.503 560 HB2 GLN 69 HB2 GLN 69 -2.515 7.087 -7.289 561 HB3 GLN 69 HB3 GLN 69 -1.014 7.919 -6.934 562 HG2 GLN 69 HG2 GLN 69 -3.155 8.950 -8.765 563 HG3 GLN 69 HG3 GLN 69 -2.999 9.370 -7.061 564 HE21 GLN 69 HE21 GLN 69 -0.044 9.336 -7.231 565 HE22 GLN 69 HE22 GLN 69 0.376 10.816 -8.008 566 H ARG 70 H ARG 70 1.400 7.280 -9.027 567 HA ARG 70 HA ARG 70 1.840 4.570 -8.196 568 HB2 ARG 70 HB2 ARG 70 4.305 5.367 -8.432 569 HB3 ARG 70 HB3 ARG 70 3.333 5.106 -9.872 570 HG2 ARG 70 HG2 ARG 70 3.417 7.826 -8.684 571 HG3 ARG 70 HG3 ARG 70 4.823 7.248 -9.581 572 HD2 ARG 70 HD2 ARG 70 3.569 6.949 -11.558 573 HD3 ARG 70 HD3 ARG 70 2.035 7.088 -10.703 574 HE ARG 70 HE ARG 70 3.396 9.479 -10.356 575 HH11 ARG 70 HH11 ARG 70 2.062 7.625 -13.024 576 HH12 ARG 70 HH12 ARG 70 1.649 9.023 -13.954 577 HH21 ARG 70 HH21 ARG 70 2.853 11.333 -11.604 578 HH22 ARG 70 HH22 ARG 70 2.115 11.132 -13.153 579 H ILE 71 H ILE 71 2.100 3.989 -6.204 580 HA ILE 71 HA ILE 71 2.948 6.001 -4.244 581 HB ILE 71 HB ILE 71 1.241 3.525 -3.875 582 HG12 ILE 71 HG12 ILE 71 -0.301 5.298 -2.791 583 HG13 ILE 71 HG13 ILE 71 0.716 6.481 -3.601 584 HG21 ILE 71 HG21 ILE 71 2.261 5.353 -1.698 585 HG22 ILE 71 HG22 ILE 71 2.867 3.733 -2.035 586 HG23 ILE 71 HG23 ILE 71 1.205 3.953 -1.493 587 HD11 ILE 71 HD11 ILE 71 0.138 5.489 -5.759 588 HD12 ILE 71 HD12 ILE 71 -1.292 6.018 -4.878 589 HD13 ILE 71 HD13 ILE 71 -0.878 4.305 -4.938 590 H ALA 72 H ALA 72 5.179 5.701 -4.353 591 HA ALA 72 HA ALA 72 6.120 2.957 -4.049 592 HB1 ALA 72 HB1 ALA 72 7.102 4.316 -5.847 593 HB2 ALA 72 HB2 ALA 72 8.304 3.776 -4.676 594 HB3 ALA 72 HB3 ALA 72 7.720 5.440 -4.635 595 H ASP 73 H ASP 73 5.265 3.010 -1.879 596 HA ASP 73 HA ASP 73 5.496 2.967 0.380 597 HB2 ASP 73 HB2 ASP 73 8.431 2.889 -0.279 598 HB3 ASP 73 HB3 ASP 73 7.651 2.248 1.167 599 H ASN 74 H ASN 74 5.616 5.769 -0.786 600 HA ASN 74 HA ASN 74 6.460 7.011 1.687 601 HB2 ASN 74 HB2 ASN 74 7.981 8.606 0.799 602 HB3 ASN 74 HB3 ASN 74 8.497 7.040 0.192 603 HD21 ASN 74 HD21 ASN 74 8.284 6.590 -1.982 604 HD22 ASN 74 HD22 ASN 74 7.991 7.833 -3.149 605 H HIS 75 H HIS 75 4.665 7.064 -1.250 606 HA HIS 75 HA HIS 75 3.600 9.636 -1.123 607 HB2 HIS 75 HB2 HIS 75 3.245 7.420 -2.744 608 HB3 HIS 75 HB3 HIS 75 1.682 7.590 -1.949 609 HD1 HIS 75 HD1 HIS 75 2.953 8.398 -5.016 610 HD2 HIS 75 HD2 HIS 75 1.196 10.736 -2.059 611 HE1 HIS 75 HE1 HIS 75 2.112 10.453 -6.184 612 HE2 HIS 75 HE2 HIS 75 0.979 11.811 -4.404 613 H THR 76 H THR 76 1.631 10.378 -0.208 614 HA THR 76 HA THR 76 0.820 8.865 2.171 615 HB THR 76 HB THR 76 0.344 11.089 3.193 616 HG1 THR 76 HG1 THR 76 1.914 12.462 1.424 617 HG21 THR 76 HG21 THR 76 2.486 10.002 3.642 618 HG22 THR 76 HG22 THR 76 2.689 11.753 3.538 619 HG23 THR 76 HG23 THR 76 3.167 10.725 2.184 620 HA PRO 77 HA PRO 77 -3.407 8.928 0.811 621 HB2 PRO 77 HB2 PRO 77 -4.700 9.583 3.164 622 HB3 PRO 77 HB3 PRO 77 -4.090 7.967 2.795 623 HG2 PRO 77 HG2 PRO 77 -2.839 10.138 4.433 624 HG3 PRO 77 HG3 PRO 77 -2.930 8.399 4.763 625 HD2 PRO 77 HD2 PRO 77 -0.696 9.516 3.823 626 HD3 PRO 77 HD3 PRO 77 -1.208 7.905 3.287 627 H LYS 78 H LYS 78 -2.185 11.615 2.606 628 HA LYS 78 HA LYS 78 -4.344 13.414 2.057 629 HB2 LYS 78 HB2 LYS 78 -2.922 15.082 3.162 630 HB3 LYS 78 HB3 LYS 78 -3.016 13.605 4.108 631 HG2 LYS 78 HG2 LYS 78 -0.767 13.867 4.251 632 HG3 LYS 78 HG3 LYS 78 -0.787 13.106 2.666 633 HD2 LYS 78 HD2 LYS 78 -0.887 15.366 1.638 634 HD3 LYS 78 HD3 LYS 78 -0.721 16.043 3.261 635 HE2 LYS 78 HE2 LYS 78 1.450 15.064 3.521 636 HE3 LYS 78 HE3 LYS 78 1.280 14.174 2.010 637 HZ1 LYS 78 HZ1 LYS 78 1.307 17.140 2.181 638 HZ2 LYS 78 HZ2 LYS 78 1.391 16.204 0.768 639 HZ3 LYS 78 HZ3 LYS 78 2.678 16.209 1.863 640 H GLU 79 H GLU 79 -1.316 12.587 0.606 641 HA GLU 79 HA GLU 79 -1.189 14.931 -1.064 642 HB2 GLU 79 HB2 GLU 79 0.799 13.751 -0.143 643 HB3 GLU 79 HB3 GLU 79 0.414 12.385 -1.175 644 HG2 GLU 79 HG2 GLU 79 2.154 13.714 -2.167 645 HG3 GLU 79 HG3 GLU 79 0.682 13.834 -3.134 646 H LEU 80 H LEU 80 -2.292 11.646 -1.249 647 HA LEU 80 HA LEU 80 -2.558 11.574 -4.104 648 HB2 LEU 80 HB2 LEU 80 -3.719 9.847 -1.931 649 HB3 LEU 80 HB3 LEU 80 -3.842 9.507 -3.646 650 HG LEU 80 HG LEU 80 -1.175 9.795 -2.298 651 HD11 LEU 80 HD11 LEU 80 -1.134 7.392 -2.013 652 HD12 LEU 80 HD12 LEU 80 -2.796 7.277 -2.604 653 HD13 LEU 80 HD13 LEU 80 -2.452 8.113 -1.087 654 HD21 LEU 80 HD21 LEU 80 -2.089 8.336 -4.778 655 HD22 LEU 80 HD22 LEU 80 -0.435 8.420 -4.168 656 HD23 LEU 80 HD23 LEU 80 -1.237 9.881 -4.742 657 H GLY 81 H GLY 81 -4.328 13.019 -1.598 658 HA2 GLY 81 HA2 GLY 81 -6.238 14.315 -1.760 659 HA3 GLY 81 HA3 GLY 81 -6.386 13.816 -3.438 660 H MET 82 H MET 82 -6.090 11.312 -1.044 661 HA MET 82 HA MET 82 -8.892 10.690 -1.608 662 HB2 MET 82 HB2 MET 82 -8.274 8.307 -1.156 663 HB3 MET 82 HB3 MET 82 -7.566 9.008 -2.596 664 HG2 MET 82 HG2 MET 82 -5.799 7.841 -1.725 665 HG3 MET 82 HG3 MET 82 -5.521 9.446 -1.054 666 HE1 MET 82 HE1 MET 82 -4.706 6.213 1.399 667 HE2 MET 82 HE2 MET 82 -3.975 7.151 0.092 668 HE3 MET 82 HE3 MET 82 -5.193 5.927 -0.268 669 H GLU 83 H GLU 83 -9.589 8.884 0.205 670 HA GLU 83 HA GLU 83 -9.022 10.027 2.835 671 HB2 GLU 83 HB2 GLU 83 -11.682 10.065 1.445 672 HB3 GLU 83 HB3 GLU 83 -11.594 10.049 3.194 673 HG2 GLU 83 HG2 GLU 83 -10.393 12.096 3.218 674 HG3 GLU 83 HG3 GLU 83 -10.268 12.101 1.457 675 H GLU 84 H GLU 84 -11.071 8.753 4.229 676 HA GLU 84 HA GLU 84 -10.032 6.123 4.392 677 HB2 GLU 84 HB2 GLU 84 -11.468 5.797 6.231 678 HB3 GLU 84 HB3 GLU 84 -11.026 7.493 6.292 679 HG2 GLU 84 HG2 GLU 84 -13.135 8.154 5.426 680 HG3 GLU 84 HG3 GLU 84 -13.585 6.477 5.111 681 H GLU 85 H GLU 85 -11.511 4.198 4.438 682 HA GLU 85 HA GLU 85 -12.626 2.653 3.254 683 HB2 GLU 85 HB2 GLU 85 -14.427 4.489 4.032 684 HB3 GLU 85 HB3 GLU 85 -14.620 4.636 2.292 685 HG2 GLU 85 HG2 GLU 85 -14.678 1.961 3.580 686 HG3 GLU 85 HG3 GLU 85 -16.112 2.992 3.627 687 H ASP 86 H ASP 86 -10.510 4.031 1.960 688 HA ASP 86 HA ASP 86 -11.476 4.336 -0.751 689 HB2 ASP 86 HB2 ASP 86 -9.680 5.793 0.622 690 HB3 ASP 86 HB3 ASP 86 -8.599 4.643 -0.157 691 H VAL 87 H VAL 87 -10.001 3.375 -2.488 692 HA VAL 87 HA VAL 87 -9.081 0.724 -1.635 693 HB VAL 87 HB VAL 87 -11.269 0.432 -2.652 694 HG11 VAL 87 HG11 VAL 87 -11.691 1.002 -5.002 695 HG12 VAL 87 HG12 VAL 87 -10.121 1.807 -5.074 696 HG13 VAL 87 HG13 VAL 87 -11.381 2.428 -4.010 697 HG21 VAL 87 HG21 VAL 87 -9.054 -0.495 -4.484 698 HG22 VAL 87 HG22 VAL 87 -10.687 -1.161 -4.433 699 HG23 VAL 87 HG23 VAL 87 -9.624 -1.321 -3.033 700 H ILE 88 H ILE 88 -7.134 0.195 -2.269 701 HA ILE 88 HA ILE 88 -5.859 1.762 -4.407 702 HB ILE 88 HB ILE 88 -4.449 0.135 -2.282 703 HG12 ILE 88 HG12 ILE 88 -5.695 1.987 -1.222 704 HG13 ILE 88 HG13 ILE 88 -3.956 2.236 -1.123 705 HG21 ILE 88 HG21 ILE 88 -3.156 0.474 -4.295 706 HG22 ILE 88 HG22 ILE 88 -2.469 1.400 -2.958 707 HG23 ILE 88 HG23 ILE 88 -3.424 2.215 -4.197 708 HD11 ILE 88 HD11 ILE 88 -5.822 3.562 -3.081 709 HD12 ILE 88 HD12 ILE 88 -4.080 3.819 -2.973 710 HD13 ILE 88 HD13 ILE 88 -5.126 4.300 -1.639 711 H GLU 89 H GLU 89 -4.578 0.615 -5.925 712 HA GLU 89 HA GLU 89 -5.471 -2.169 -6.249 713 HB2 GLU 89 HB2 GLU 89 -4.678 -0.368 -8.509 714 HB3 GLU 89 HB3 GLU 89 -5.678 -1.816 -8.552 715 HG2 GLU 89 HG2 GLU 89 -7.397 -0.571 -7.238 716 HG3 GLU 89 HG3 GLU 89 -6.410 0.866 -7.421 717 H VAL 90 H VAL 90 -3.942 -3.684 -6.626 718 HA VAL 90 HA VAL 90 -1.166 -2.725 -6.767 719 HB VAL 90 HB VAL 90 -2.178 -5.329 -5.605 720 HG11 VAL 90 HG11 VAL 90 0.126 -5.664 -4.871 721 HG12 VAL 90 HG12 VAL 90 0.608 -4.215 -5.757 722 HG13 VAL 90 HG13 VAL 90 -0.010 -5.617 -6.627 723 HG21 VAL 90 HG21 VAL 90 -1.001 -2.899 -4.285 724 HG22 VAL 90 HG22 VAL 90 -1.431 -4.405 -3.472 725 HG23 VAL 90 HG23 VAL 90 -2.689 -3.406 -4.205 726 H TYR 91 H TYR 91 -0.096 -3.120 -8.551 727 HA TYR 91 HA TYR 91 -1.137 -5.185 -10.372 728 HB2 TYR 91 HB2 TYR 91 0.316 -2.622 -11.028 729 HB3 TYR 91 HB3 TYR 91 -0.161 -3.842 -12.201 730 HD1 TYR 91 HD1 TYR 91 -1.354 -1.209 -9.947 731 HD2 TYR 91 HD2 TYR 91 -2.470 -4.058 -12.897 732 HE1 TYR 91 HE1 TYR 91 -3.526 -0.102 -10.177 733 HE2 TYR 91 HE2 TYR 91 -4.656 -2.961 -13.136 734 HH TYR 91 HH TYR 91 -5.356 0.104 -11.639 735 H GLN 92 H GLN 92 0.201 -6.709 -11.105 736 HA GLN 92 HA GLN 92 2.757 -7.034 -9.859 737 HB2 GLN 92 HB2 GLN 92 1.466 -9.014 -10.166 738 HB3 GLN 92 HB3 GLN 92 1.212 -8.669 -11.868 739 HG2 GLN 92 HG2 GLN 92 2.798 -10.487 -11.533 740 HG3 GLN 92 HG3 GLN 92 3.549 -9.107 -12.332 741 HE21 GLN 92 HE21 GLN 92 5.597 -9.657 -11.744 742 HE22 GLN 92 HE22 GLN 92 6.172 -9.534 -10.123 743 H GLU 93 H GLU 93 4.498 -6.017 -10.507 744 HA GLU 93 HA GLU 93 5.475 -6.196 -13.124 745 HB2 GLU 93 HB2 GLU 93 3.664 -4.516 -13.498 746 HB3 GLU 93 HB3 GLU 93 4.475 -3.447 -12.364 747 HG2 GLU 93 HG2 GLU 93 4.942 -2.898 -14.712 748 HG3 GLU 93 HG3 GLU 93 6.397 -3.307 -13.803 749 H GLN 94 H GLN 94 7.549 -5.624 -13.201 750 HA GLN 94 HA GLN 94 8.968 -5.543 -10.757 751 HB2 GLN 94 HB2 GLN 94 9.867 -6.507 -12.847 752 HB3 GLN 94 HB3 GLN 94 10.008 -4.885 -13.510 753 HG2 GLN 94 HG2 GLN 94 11.663 -4.299 -11.891 754 HG3 GLN 94 HG3 GLN 94 11.416 -5.813 -11.025 755 HE21 GLN 94 HE21 GLN 94 12.744 -4.325 -13.858 756 HE22 GLN 94 HE22 GLN 94 13.732 -5.660 -14.339 757 H THR 95 H THR 95 9.459 -3.910 -9.472 758 HA THR 95 HA THR 95 9.065 -1.187 -10.484 759 HB THR 95 HB THR 95 7.478 -1.928 -8.680 760 HG1 THR 95 HG1 THR 95 7.815 0.261 -8.782 761 HG21 THR 95 HG21 THR 95 9.979 -1.985 -6.980 762 HG22 THR 95 HG22 THR 95 8.993 -3.379 -7.422 763 HG23 THR 95 HG23 THR 95 8.328 -2.124 -6.378 764 H GLY 96 H GLY 96 10.325 0.379 -8.857 765 HA2 GLY 96 HA2 GLY 96 12.352 0.816 -7.697 766 HA3 GLY 96 HA3 GLY 96 12.998 -0.696 -8.317 767 H GLY 97 H GLY 97 13.106 -0.743 -10.794 768 HA2 GLY 97 HA2 GLY 97 13.525 0.425 -12.811 769 HA3 GLY 97 HA3 GLY 97 13.779 1.893 -11.876 Start of MODEL 7 1 H MET 1 H MET 1 -10.132 18.416 33.311 2 HA MET 1 HA MET 1 -11.180 20.204 31.205 3 HB2 MET 1 HB2 MET 1 -11.447 17.212 31.574 4 HB3 MET 1 HB3 MET 1 -12.395 18.157 30.443 5 HG2 MET 1 HG2 MET 1 -9.392 17.949 30.353 6 HG3 MET 1 HG3 MET 1 -10.483 16.918 29.437 7 HE1 MET 1 HE1 MET 1 -8.383 20.039 29.428 8 HE2 MET 1 HE2 MET 1 -9.793 20.829 30.130 9 HE3 MET 1 HE3 MET 1 -9.279 21.234 28.494 10 H SER 2 H SER 2 -13.705 19.775 31.142 11 HA SER 2 HA SER 2 -14.617 20.520 33.743 12 HB2 SER 2 HB2 SER 2 -16.193 20.028 31.209 13 HB3 SER 2 HB3 SER 2 -16.743 20.906 32.637 14 HG SER 2 HG SER 2 -16.043 22.513 31.406 15 H ASP 3 H ASP 3 -14.788 18.930 35.200 16 HA ASP 3 HA ASP 3 -16.720 16.860 34.772 17 HB2 ASP 3 HB2 ASP 3 -15.287 14.957 35.220 18 HB3 ASP 3 HB3 ASP 3 -14.645 15.824 33.833 19 H GLN 4 H GLN 4 -16.943 15.538 36.839 20 HA GLN 4 HA GLN 4 -16.251 17.217 39.147 21 HB2 GLN 4 HB2 GLN 4 -18.446 16.639 40.140 22 HB3 GLN 4 HB3 GLN 4 -18.599 17.564 38.654 23 HG2 GLN 4 HG2 GLN 4 -19.156 15.560 37.424 24 HG3 GLN 4 HG3 GLN 4 -18.898 14.577 38.863 25 HE21 GLN 4 HE21 GLN 4 -20.400 14.638 40.504 26 HE22 GLN 4 HE22 GLN 4 -21.991 15.270 40.286 27 H GLU 5 H GLU 5 -14.991 14.872 38.038 28 HA GLU 5 HA GLU 5 -15.692 12.761 39.903 29 HB2 GLU 5 HB2 GLU 5 -15.214 12.304 37.471 30 HB3 GLU 5 HB3 GLU 5 -13.534 12.700 37.799 31 HG2 GLU 5 HG2 GLU 5 -13.953 10.287 37.797 32 HG3 GLU 5 HG3 GLU 5 -13.355 10.869 39.350 33 H ALA 6 H ALA 6 -14.071 11.717 41.203 34 HA ALA 6 HA ALA 6 -12.443 13.652 42.580 35 HB1 ALA 6 HB1 ALA 6 -13.712 11.997 43.845 36 HB2 ALA 6 HB2 ALA 6 -11.982 11.832 44.155 37 HB3 ALA 6 HB3 ALA 6 -12.797 10.698 43.079 38 H LYS 7 H LYS 7 -11.126 13.999 40.583 39 HA LYS 7 HA LYS 7 -8.704 12.440 40.804 40 HB2 LYS 7 HB2 LYS 7 -8.646 12.573 38.155 41 HB3 LYS 7 HB3 LYS 7 -9.361 11.214 39.003 42 HG2 LYS 7 HG2 LYS 7 -10.730 11.939 37.106 43 HG3 LYS 7 HG3 LYS 7 -11.585 12.116 38.633 44 HD2 LYS 7 HD2 LYS 7 -12.007 14.043 37.229 45 HD3 LYS 7 HD3 LYS 7 -11.043 14.526 38.622 46 HE2 LYS 7 HE2 LYS 7 -9.026 14.484 37.237 47 HE3 LYS 7 HE3 LYS 7 -9.993 13.984 35.847 48 HZ1 LYS 7 HZ1 LYS 7 -11.220 16.052 35.979 49 HZ2 LYS 7 HZ2 LYS 7 -9.568 16.377 35.831 50 HZ3 LYS 7 HZ3 LYS 7 -10.328 16.535 37.334 51 HA PRO 8 HA PRO 8 -6.762 16.404 40.446 52 HB2 PRO 8 HB2 PRO 8 -4.388 15.570 39.325 53 HB3 PRO 8 HB3 PRO 8 -4.760 15.478 41.051 54 HG2 PRO 8 HG2 PRO 8 -4.983 13.355 38.954 55 HG3 PRO 8 HG3 PRO 8 -4.334 13.234 40.604 56 HD2 PRO 8 HD2 PRO 8 -6.773 12.351 40.027 57 HD3 PRO 8 HD3 PRO 8 -6.456 13.200 41.555 58 H SER 9 H SER 9 -5.434 14.652 37.705 59 HA SER 9 HA SER 9 -6.682 16.632 35.918 60 HB2 SER 9 HB2 SER 9 -3.888 15.513 35.684 61 HB3 SER 9 HB3 SER 9 -4.638 16.661 34.574 62 HG SER 9 HG SER 9 -4.156 18.195 35.889 63 H THR 10 H THR 10 -6.409 13.374 36.606 64 HA THR 10 HA THR 10 -6.354 11.399 35.435 65 HB THR 10 HB THR 10 -8.754 12.083 35.713 66 HG1 THR 10 HG1 THR 10 -7.807 10.334 33.739 67 HG21 THR 10 HG21 THR 10 -8.539 12.779 32.788 68 HG22 THR 10 HG22 THR 10 -8.780 13.931 34.098 69 HG23 THR 10 HG23 THR 10 -10.026 12.733 33.736 70 H GLU 11 H GLU 11 -4.666 13.429 34.052 71 HA GLU 11 HA GLU 11 -4.780 12.292 31.342 72 HB2 GLU 11 HB2 GLU 11 -3.843 15.031 32.219 73 HB3 GLU 11 HB3 GLU 11 -3.599 14.381 30.608 74 HG2 GLU 11 HG2 GLU 11 -6.246 14.947 31.919 75 HG3 GLU 11 HG3 GLU 11 -5.475 15.905 30.658 76 H ASP 12 H ASP 12 -2.529 12.485 30.284 77 HA ASP 12 HA ASP 12 -0.457 11.923 32.278 78 HB2 ASP 12 HB2 ASP 12 -1.316 9.805 31.277 79 HB3 ASP 12 HB3 ASP 12 -0.797 10.378 29.698 80 H LEU 13 H LEU 13 -0.148 11.759 28.777 81 HA LEU 13 HA LEU 13 1.180 14.367 28.801 82 HB2 LEU 13 HB2 LEU 13 2.267 11.843 27.576 83 HB3 LEU 13 HB3 LEU 13 2.894 13.440 27.242 84 HG LEU 13 HG LEU 13 2.833 12.222 29.980 85 HD11 LEU 13 HD11 LEU 13 5.104 12.345 27.997 86 HD12 LEU 13 HD12 LEU 13 4.264 10.887 28.522 87 HD13 LEU 13 HD13 LEU 13 5.235 11.807 29.670 88 HD21 LEU 13 HD21 LEU 13 2.918 14.636 29.997 89 HD22 LEU 13 HD22 LEU 13 4.258 14.621 28.852 90 HD23 LEU 13 HD23 LEU 13 4.483 13.982 30.480 91 H GLY 14 H GLY 14 0.412 15.621 27.319 92 HA2 GLY 14 HA2 GLY 14 -0.935 14.416 24.987 93 HA3 GLY 14 HA3 GLY 14 -1.314 16.001 25.658 94 H ASP 15 H ASP 15 1.879 14.651 25.067 95 HA ASP 15 HA ASP 15 2.717 17.021 23.704 96 HB2 ASP 15 HB2 ASP 15 4.076 14.383 24.227 97 HB3 ASP 15 HB3 ASP 15 4.855 15.718 23.389 98 H LYS 16 H LYS 16 1.544 13.915 22.765 99 HA LYS 16 HA LYS 16 2.662 13.873 20.165 100 HB2 LYS 16 HB2 LYS 16 1.617 11.949 21.565 101 HB3 LYS 16 HB3 LYS 16 0.099 12.497 20.872 102 HG2 LYS 16 HG2 LYS 16 0.951 10.680 19.561 103 HG3 LYS 16 HG3 LYS 16 1.044 12.167 18.617 104 HD2 LYS 16 HD2 LYS 16 3.098 10.900 18.328 105 HD3 LYS 16 HD3 LYS 16 3.434 12.373 19.239 106 HE2 LYS 16 HE2 LYS 16 4.586 10.389 20.154 107 HE3 LYS 16 HE3 LYS 16 3.496 11.153 21.307 108 HZ1 LYS 16 HZ1 LYS 16 2.836 8.745 19.694 109 HZ2 LYS 16 HZ2 LYS 16 1.874 9.444 20.893 110 HZ3 LYS 16 HZ3 LYS 16 3.339 8.722 21.308 111 H LYS 17 H LYS 17 1.790 14.435 18.206 112 HA LYS 17 HA LYS 17 0.072 16.692 18.202 113 HB2 LYS 17 HB2 LYS 17 2.018 15.926 16.572 114 HB3 LYS 17 HB3 LYS 17 0.702 15.145 15.718 115 HG2 LYS 17 HG2 LYS 17 0.711 18.073 16.401 116 HG3 LYS 17 HG3 LYS 17 1.366 17.429 14.898 117 HD2 LYS 17 HD2 LYS 17 -1.470 17.046 15.845 118 HD3 LYS 17 HD3 LYS 17 -0.957 18.290 14.704 119 HE2 LYS 17 HE2 LYS 17 -0.092 16.463 13.229 120 HE3 LYS 17 HE3 LYS 17 -0.820 15.300 14.336 121 HZ1 LYS 17 HZ1 LYS 17 -2.264 17.388 12.804 122 HZ2 LYS 17 HZ2 LYS 17 -2.979 16.330 13.905 123 HZ3 LYS 17 HZ3 LYS 17 -2.276 15.728 12.487 124 H GLU 18 H GLU 18 -2.073 16.791 17.907 125 HA GLU 18 HA GLU 18 -3.569 14.357 17.967 126 HB2 GLU 18 HB2 GLU 18 -5.578 15.881 17.929 127 HB3 GLU 18 HB3 GLU 18 -4.468 16.137 19.263 128 HG2 GLU 18 HG2 GLU 18 -4.399 17.819 16.770 129 HG3 GLU 18 HG3 GLU 18 -5.442 18.197 18.138 130 H GLY 19 H GLY 19 -3.855 13.168 16.247 131 HA2 GLY 19 HA2 GLY 19 -4.739 14.483 13.779 132 HA3 GLY 19 HA3 GLY 19 -3.430 13.306 13.715 133 H GLU 20 H GLU 20 -6.117 13.224 12.476 134 HA GLU 20 HA GLU 20 -7.447 11.137 13.961 135 HB2 GLU 20 HB2 GLU 20 -9.183 11.282 12.215 136 HB3 GLU 20 HB3 GLU 20 -8.871 12.832 12.975 137 HG2 GLU 20 HG2 GLU 20 -7.583 12.071 10.374 138 HG3 GLU 20 HG3 GLU 20 -9.200 12.766 10.439 139 H TYR 21 H TYR 21 -8.248 9.259 12.670 140 HA TYR 21 HA TYR 21 -6.134 8.235 10.901 141 HB2 TYR 21 HB2 TYR 21 -7.730 6.690 12.958 142 HB3 TYR 21 HB3 TYR 21 -6.519 6.032 11.865 143 HD1 TYR 21 HD1 TYR 21 -6.749 8.769 14.449 144 HD2 TYR 21 HD2 TYR 21 -4.473 5.566 12.805 145 HE1 TYR 21 HE1 TYR 21 -5.047 9.084 16.190 146 HE2 TYR 21 HE2 TYR 21 -2.766 5.895 14.531 147 HH TYR 21 HH TYR 21 -3.274 7.733 17.303 148 H ILE 22 H ILE 22 -6.913 6.890 9.108 149 HA ILE 22 HA ILE 22 -9.805 6.695 8.954 150 HB ILE 22 HB ILE 22 -9.503 6.997 6.500 151 HG12 ILE 22 HG12 ILE 22 -6.868 8.289 7.024 152 HG13 ILE 22 HG13 ILE 22 -6.927 6.539 6.842 153 HG21 ILE 22 HG21 ILE 22 -9.284 9.444 6.564 154 HG22 ILE 22 HG22 ILE 22 -8.654 9.337 8.209 155 HG23 ILE 22 HG23 ILE 22 -10.312 8.844 7.866 156 HD11 ILE 22 HD11 ILE 22 -7.949 6.788 4.677 157 HD12 ILE 22 HD12 ILE 22 -6.409 7.654 4.755 158 HD13 ILE 22 HD13 ILE 22 -7.934 8.544 4.851 159 H LYS 23 H LYS 23 -10.429 4.922 7.512 160 HA LYS 23 HA LYS 23 -8.468 2.728 7.567 161 HB2 LYS 23 HB2 LYS 23 -10.333 1.207 7.536 162 HB3 LYS 23 HB3 LYS 23 -10.618 2.389 8.806 163 HG2 LYS 23 HG2 LYS 23 -12.140 3.611 7.342 164 HG3 LYS 23 HG3 LYS 23 -11.842 2.445 6.053 165 HD2 LYS 23 HD2 LYS 23 -12.729 0.666 7.517 166 HD3 LYS 23 HD3 LYS 23 -13.105 1.896 8.728 167 HE2 LYS 23 HE2 LYS 23 -14.550 3.027 7.079 168 HE3 LYS 23 HE3 LYS 23 -14.220 1.729 5.935 169 HZ1 LYS 23 HZ1 LYS 23 -16.334 1.445 7.123 170 HZ2 LYS 23 HZ2 LYS 23 -15.499 1.353 8.587 171 HZ3 LYS 23 HZ3 LYS 23 -15.268 0.169 7.407 172 H LEU 24 H LEU 24 -8.130 1.512 5.703 173 HA LEU 24 HA LEU 24 -9.572 2.273 3.307 174 HB2 LEU 24 HB2 LEU 24 -6.559 2.216 3.268 175 HB3 LEU 24 HB3 LEU 24 -7.643 2.683 1.985 176 HG LEU 24 HG LEU 24 -8.334 4.540 3.745 177 HD11 LEU 24 HD11 LEU 24 -5.463 3.945 4.432 178 HD12 LEU 24 HD12 LEU 24 -6.850 3.718 5.497 179 HD13 LEU 24 HD13 LEU 24 -6.395 5.340 4.974 180 HD21 LEU 24 HD21 LEU 24 -6.744 6.018 2.637 181 HD22 LEU 24 HD22 LEU 24 -7.544 4.935 1.501 182 HD23 LEU 24 HD23 LEU 24 -5.887 4.613 2.009 183 H LYS 25 H LYS 25 -8.420 0.856 1.413 184 HA LYS 25 HA LYS 25 -7.799 -1.807 2.347 185 HB2 LYS 25 HB2 LYS 25 -10.230 -1.856 2.445 186 HB3 LYS 25 HB3 LYS 25 -10.339 -1.216 0.815 187 HG2 LYS 25 HG2 LYS 25 -8.794 -3.690 0.991 188 HG3 LYS 25 HG3 LYS 25 -10.471 -3.860 1.506 189 HD2 LYS 25 HD2 LYS 25 -9.631 -2.597 -1.097 190 HD3 LYS 25 HD3 LYS 25 -10.067 -4.299 -0.923 191 HE2 LYS 25 HE2 LYS 25 -11.844 -1.961 -0.248 192 HE3 LYS 25 HE3 LYS 25 -11.941 -2.921 -1.724 193 HZ1 LYS 25 HZ1 LYS 25 -12.398 -4.880 -0.332 194 HZ2 LYS 25 HZ2 LYS 25 -13.573 -3.682 -0.142 195 HZ3 LYS 25 HZ3 LYS 25 -12.397 -3.902 1.046 196 H VAL 26 H VAL 26 -6.830 -3.066 0.743 197 HA VAL 26 HA VAL 26 -6.546 -1.854 -1.902 198 HB VAL 26 HB VAL 26 -4.188 -1.874 -1.994 199 HG11 VAL 26 HG11 VAL 26 -5.067 -0.011 -0.655 200 HG12 VAL 26 HG12 VAL 26 -3.428 -0.465 -0.184 201 HG13 VAL 26 HG13 VAL 26 -4.804 -0.961 0.803 202 HG21 VAL 26 HG21 VAL 26 -2.722 -2.855 -0.343 203 HG22 VAL 26 HG22 VAL 26 -3.869 -4.056 -0.947 204 HG23 VAL 26 HG23 VAL 26 -4.114 -3.317 0.634 205 H ILE 27 H ILE 27 -6.281 -3.319 -3.560 206 HA ILE 27 HA ILE 27 -6.383 -6.175 -2.778 207 HB ILE 27 HB ILE 27 -7.733 -4.871 -5.155 208 HG12 ILE 27 HG12 ILE 27 -9.116 -6.027 -2.762 209 HG13 ILE 27 HG13 ILE 27 -8.595 -4.345 -2.782 210 HG21 ILE 27 HG21 ILE 27 -8.876 -7.026 -5.400 211 HG22 ILE 27 HG22 ILE 27 -7.959 -7.672 -4.040 212 HG23 ILE 27 HG23 ILE 27 -7.128 -7.217 -5.527 213 HD11 ILE 27 HD11 ILE 27 -10.926 -4.548 -3.399 214 HD12 ILE 27 HD12 ILE 27 -10.500 -5.642 -4.715 215 HD13 ILE 27 HD13 ILE 27 -9.973 -3.959 -4.758 216 H GLY 28 H GLY 28 -5.175 -7.608 -3.986 217 HA2 GLY 28 HA2 GLY 28 -3.515 -6.402 -6.110 218 HA3 GLY 28 HA3 GLY 28 -2.801 -7.445 -4.883 219 H GLN 29 H GLN 29 -2.228 -8.272 -7.249 220 HA GLN 29 HA GLN 29 -4.181 -9.803 -8.615 221 HB2 GLN 29 HB2 GLN 29 -2.443 -10.583 -10.012 222 HB3 GLN 29 HB3 GLN 29 -2.023 -8.936 -9.584 223 HG2 GLN 29 HG2 GLN 29 -0.855 -11.405 -8.317 224 HG3 GLN 29 HG3 GLN 29 -0.087 -10.456 -9.580 225 HE21 GLN 29 HE21 GLN 29 -0.757 -10.742 -6.251 226 HE22 GLN 29 HE22 GLN 29 0.133 -9.350 -5.733 227 H ASP 30 H ASP 30 -2.855 -10.356 -5.659 228 HA ASP 30 HA ASP 30 -2.682 -13.240 -5.827 229 HB2 ASP 30 HB2 ASP 30 -1.252 -12.004 -4.237 230 HB3 ASP 30 HB3 ASP 30 -2.682 -11.369 -3.434 231 H SER 31 H SER 31 -5.093 -11.048 -5.908 232 HA SER 31 HA SER 31 -7.334 -11.120 -5.757 233 HB2 SER 31 HB2 SER 31 -7.057 -14.029 -4.950 234 HB3 SER 31 HB3 SER 31 -8.490 -13.237 -5.604 235 HG SER 31 HG SER 31 -7.711 -13.430 -7.555 236 H SER 32 H SER 32 -5.313 -11.033 -3.387 237 HA SER 32 HA SER 32 -7.270 -11.328 -1.247 238 HB2 SER 32 HB2 SER 32 -4.933 -12.438 -1.154 239 HB3 SER 32 HB3 SER 32 -4.322 -10.808 -0.889 240 HG SER 32 HG SER 32 -4.985 -10.926 1.111 241 H GLU 33 H GLU 33 -6.920 -9.624 0.484 242 HA GLU 33 HA GLU 33 -6.173 -7.042 -0.516 243 HB2 GLU 33 HB2 GLU 33 -8.334 -6.009 -0.049 244 HB3 GLU 33 HB3 GLU 33 -8.488 -7.254 -1.278 245 HG2 GLU 33 HG2 GLU 33 -9.435 -8.783 0.334 246 HG3 GLU 33 HG3 GLU 33 -9.196 -7.605 1.625 247 H ILE 34 H ILE 34 -6.186 -5.469 1.203 248 HA ILE 34 HA ILE 34 -6.270 -6.674 3.863 249 HB ILE 34 HB ILE 34 -3.909 -6.716 3.127 250 HG12 ILE 34 HG12 ILE 34 -4.151 -4.624 5.250 251 HG13 ILE 34 HG13 ILE 34 -4.750 -6.258 5.535 252 HG21 ILE 34 HG21 ILE 34 -2.700 -4.539 2.996 253 HG22 ILE 34 HG22 ILE 34 -4.275 -3.742 2.933 254 HG23 ILE 34 HG23 ILE 34 -3.802 -4.868 1.661 255 HD11 ILE 34 HD11 ILE 34 -2.524 -5.980 6.410 256 HD12 ILE 34 HD12 ILE 34 -1.940 -5.490 4.815 257 HD13 ILE 34 HD13 ILE 34 -2.539 -7.132 5.076 258 H HIS 35 H HIS 35 -6.886 -5.339 5.484 259 HA HIS 35 HA HIS 35 -7.828 -2.665 4.670 260 HB2 HIS 35 HB2 HIS 35 -8.872 -4.316 6.989 261 HB3 HIS 35 HB3 HIS 35 -9.594 -2.871 6.295 262 HD1 HIS 35 HD1 HIS 35 -10.961 -5.755 6.629 263 HD2 HIS 35 HD2 HIS 35 -9.414 -4.117 3.146 264 HE1 HIS 35 HE1 HIS 35 -12.133 -6.938 4.748 265 HE2 HIS 35 HE2 HIS 35 -11.145 -5.965 2.635 266 H PHE 36 H PHE 36 -7.047 -0.960 5.847 267 HA PHE 36 HA PHE 36 -5.725 -1.541 8.378 268 HB2 PHE 36 HB2 PHE 36 -3.775 -0.028 7.592 269 HB3 PHE 36 HB3 PHE 36 -3.804 -1.702 7.059 270 HD1 PHE 36 HD1 PHE 36 -4.484 1.774 6.012 271 HD2 PHE 36 HD2 PHE 36 -3.930 -2.259 4.791 272 HE1 PHE 36 HE1 PHE 36 -4.340 2.505 3.668 273 HE2 PHE 36 HE2 PHE 36 -3.789 -1.537 2.453 274 HZ PHE 36 HZ PHE 36 -3.996 0.851 1.889 275 HH31 ALY 37 HH31 ALY 37 -7.912 5.030 14.665 276 HH32 ALY 37 HH32 ALY 37 -9.321 4.345 15.502 277 HH33 ALY 37 HH33 ALY 37 -9.382 5.982 14.815 278 HZ ALY 37 HZ ALY 37 -8.154 2.947 13.362 279 HE3 ALY 37 HE3 ALY 37 -10.601 1.855 13.511 280 HE2 ALY 37 HE2 ALY 37 -10.556 2.446 11.855 281 HD3 ALY 37 HD3 ALY 37 -8.482 0.586 13.020 282 HD2 ALY 37 HD2 ALY 37 -9.913 0.036 12.153 283 HG3 ALY 37 HG3 ALY 37 -8.183 0.044 10.548 284 HG2 ALY 37 HG2 ALY 37 -9.127 1.497 10.221 285 HB3 ALY 37 HB3 ALY 37 -7.498 2.835 11.454 286 HB2 ALY 37 HB2 ALY 37 -6.561 1.388 11.794 287 HCA ALY 37 HCA ALY 37 -7.060 2.562 9.048 288 H ALY 37 H ALY 37 -5.530 0.164 9.779 289 H VAL 38 H VAL 38 -5.439 3.821 8.278 290 HA VAL 38 HA VAL 38 -3.032 4.136 9.915 291 HB VAL 38 HB VAL 38 -2.045 5.273 7.965 292 HG11 VAL 38 HG11 VAL 38 -1.896 3.307 6.489 293 HG12 VAL 38 HG12 VAL 38 -3.237 2.574 7.373 294 HG13 VAL 38 HG13 VAL 38 -1.713 2.898 8.195 295 HG21 VAL 38 HG21 VAL 38 -4.071 6.220 6.994 296 HG22 VAL 38 HG22 VAL 38 -4.644 4.605 6.584 297 HG23 VAL 38 HG23 VAL 38 -3.202 5.254 5.803 298 H LYS 39 H LYS 39 -2.201 6.590 9.218 299 HA LYS 39 HA LYS 39 -4.125 8.260 10.665 300 HB2 LYS 39 HB2 LYS 39 -1.187 8.704 10.097 301 HB3 LYS 39 HB3 LYS 39 -2.211 9.775 11.040 302 HG2 LYS 39 HG2 LYS 39 -2.532 8.038 12.708 303 HG3 LYS 39 HG3 LYS 39 -1.566 6.918 11.744 304 HD2 LYS 39 HD2 LYS 39 0.388 8.331 12.013 305 HD3 LYS 39 HD3 LYS 39 -0.570 9.523 12.895 306 HE2 LYS 39 HE2 LYS 39 0.742 8.136 14.424 307 HE3 LYS 39 HE3 LYS 39 -0.986 7.894 14.663 308 HZ1 LYS 39 HZ1 LYS 39 -0.829 5.858 13.344 309 HZ2 LYS 39 HZ2 LYS 39 0.183 5.796 14.691 310 HZ3 LYS 39 HZ3 LYS 39 0.833 6.088 13.164 311 H MET 40 H MET 40 -4.431 10.498 9.929 312 HA MET 40 HA MET 40 -5.132 10.776 7.255 313 HB2 MET 40 HB2 MET 40 -5.868 12.274 9.097 314 HB3 MET 40 HB3 MET 40 -4.263 12.982 9.130 315 HG2 MET 40 HG2 MET 40 -5.679 14.477 7.954 316 HG3 MET 40 HG3 MET 40 -4.621 13.720 6.767 317 HE1 MET 40 HE1 MET 40 -6.912 11.854 4.424 318 HE2 MET 40 HE2 MET 40 -5.557 11.370 5.437 319 HE3 MET 40 HE3 MET 40 -5.499 12.899 4.564 320 H THR 41 H THR 41 -2.118 11.498 8.857 321 HA THR 41 HA THR 41 -0.862 11.682 6.213 322 HB THR 41 HB THR 41 0.703 13.373 7.125 323 HG1 THR 41 HG1 THR 41 0.325 12.685 9.375 324 HG21 THR 41 HG21 THR 41 -0.883 15.250 7.184 325 HG22 THR 41 HG22 THR 41 -2.210 14.118 7.463 326 HG23 THR 41 HG23 THR 41 -1.344 14.093 5.931 327 H THR 42 H THR 42 0.530 10.048 5.976 328 HA THR 42 HA THR 42 2.551 9.435 7.818 329 HB THR 42 HB THR 42 0.579 8.345 8.987 330 HG1 THR 42 HG1 THR 42 2.567 7.506 9.478 331 HG21 THR 42 HG21 THR 42 -0.266 6.226 8.052 332 HG22 THR 42 HG22 THR 42 0.663 6.516 6.582 333 HG23 THR 42 HG23 THR 42 -0.660 7.599 7.016 334 H HIS 43 H HIS 43 3.675 7.293 7.046 335 HA HIS 43 HA HIS 43 3.784 7.447 4.146 336 HB2 HIS 43 HB2 HIS 43 5.525 6.019 6.152 337 HB3 HIS 43 HB3 HIS 43 5.750 5.893 4.413 338 HD1 HIS 43 HD1 HIS 43 7.299 7.473 7.037 339 HD2 HIS 43 HD2 HIS 43 5.781 8.895 3.440 340 HE1 HIS 43 HE1 HIS 43 8.499 9.642 6.603 341 HE2 HIS 43 HE2 HIS 43 7.742 10.327 4.296 342 H LEU 44 H LEU 44 2.870 6.041 2.843 343 HA LEU 44 HA LEU 44 1.223 3.957 3.815 344 HB2 LEU 44 HB2 LEU 44 2.164 4.494 1.003 345 HB3 LEU 44 HB3 LEU 44 0.864 3.405 1.445 346 HG LEU 44 HG LEU 44 0.913 6.403 1.706 347 HD11 LEU 44 HD11 LEU 44 -0.808 4.518 0.117 348 HD12 LEU 44 HD12 LEU 44 0.388 5.657 -0.505 349 HD13 LEU 44 HD13 LEU 44 -1.081 6.253 0.263 350 HD21 LEU 44 HD21 LEU 44 -1.383 6.192 2.621 351 HD22 LEU 44 HD22 LEU 44 -0.146 5.548 3.699 352 HD23 LEU 44 HD23 LEU 44 -1.141 4.449 2.743 353 H LYS 45 H LYS 45 4.525 4.016 3.389 354 HA LYS 45 HA LYS 45 5.187 1.532 2.370 355 HB2 LYS 45 HB2 LYS 45 6.751 3.408 2.937 356 HB3 LYS 45 HB3 LYS 45 6.587 2.971 4.627 357 HG2 LYS 45 HG2 LYS 45 7.438 0.890 2.694 358 HG3 LYS 45 HG3 LYS 45 8.602 2.118 3.157 359 HD2 LYS 45 HD2 LYS 45 7.101 0.297 5.045 360 HD3 LYS 45 HD3 LYS 45 8.777 0.089 4.539 361 HE2 LYS 45 HE2 LYS 45 9.350 2.236 5.570 362 HE3 LYS 45 HE3 LYS 45 7.676 2.444 6.076 363 HZ1 LYS 45 HZ1 LYS 45 7.951 0.294 7.316 364 HZ2 LYS 45 HZ2 LYS 45 8.822 1.609 7.920 365 HZ3 LYS 45 HZ3 LYS 45 9.613 0.421 7.020 366 H LYS 46 H LYS 46 4.009 2.418 5.560 367 HA LYS 46 HA LYS 46 4.647 0.008 6.859 368 HB2 LYS 46 HB2 LYS 46 3.060 0.674 8.580 369 HB3 LYS 46 HB3 LYS 46 4.051 2.040 8.101 370 HG2 LYS 46 HG2 LYS 46 2.010 3.061 8.180 371 HG3 LYS 46 HG3 LYS 46 1.998 2.513 6.504 372 HD2 LYS 46 HD2 LYS 46 -0.108 1.891 7.297 373 HD3 LYS 46 HD3 LYS 46 0.832 0.406 7.400 374 HE2 LYS 46 HE2 LYS 46 0.427 2.284 9.726 375 HE3 LYS 46 HE3 LYS 46 -0.637 0.925 9.386 376 HZ1 LYS 46 HZ1 LYS 46 2.265 0.769 10.017 377 HZ2 LYS 46 HZ2 LYS 46 1.295 -0.557 9.630 378 HZ3 LYS 46 HZ3 LYS 46 0.994 0.328 11.030 379 H LEU 47 H LEU 47 1.899 0.932 4.853 380 HA LEU 47 HA LEU 47 0.400 -1.399 5.523 381 HB2 LEU 47 HB2 LEU 47 -1.229 -0.717 3.998 382 HB3 LEU 47 HB3 LEU 47 -0.563 0.776 4.618 383 HG LEU 47 HG LEU 47 0.935 0.554 2.422 384 HD11 LEU 47 HD11 LEU 47 -0.405 -0.263 0.554 385 HD12 LEU 47 HD12 LEU 47 -1.652 -0.805 1.677 386 HD13 LEU 47 HD13 LEU 47 -0.057 -1.556 1.702 387 HD21 LEU 47 HD21 LEU 47 -0.364 2.461 2.991 388 HD22 LEU 47 HD22 LEU 47 -1.865 1.614 2.610 389 HD23 LEU 47 HD23 LEU 47 -0.721 2.012 1.322 390 H LYS 48 H LYS 48 2.809 -0.580 3.138 391 HA LYS 48 HA LYS 48 2.534 -2.809 1.434 392 HB2 LYS 48 HB2 LYS 48 4.809 -1.022 2.191 393 HB3 LYS 48 HB3 LYS 48 5.190 -2.532 1.381 394 HG2 LYS 48 HG2 LYS 48 5.081 -0.768 -0.219 395 HG3 LYS 48 HG3 LYS 48 3.717 -1.860 -0.484 396 HD2 LYS 48 HD2 LYS 48 2.258 -0.313 0.705 397 HD3 LYS 48 HD3 LYS 48 3.624 0.781 0.976 398 HE2 LYS 48 HE2 LYS 48 2.104 0.188 -1.517 399 HE3 LYS 48 HE3 LYS 48 2.681 1.732 -0.893 400 HZ1 LYS 48 HZ1 LYS 48 4.993 0.913 -1.462 401 HZ2 LYS 48 HZ2 LYS 48 3.988 1.227 -2.788 402 HZ3 LYS 48 HZ3 LYS 48 4.254 -0.364 -2.285 403 H GLU 49 H GLU 49 4.625 -2.349 4.281 404 HA GLU 49 HA GLU 49 5.540 -4.940 4.550 405 HB2 GLU 49 HB2 GLU 49 4.879 -3.020 6.776 406 HB3 GLU 49 HB3 GLU 49 6.009 -4.367 6.853 407 HG2 GLU 49 HG2 GLU 49 7.363 -3.294 5.142 408 HG3 GLU 49 HG3 GLU 49 6.265 -1.924 5.132 409 H SER 50 H SER 50 2.727 -3.421 6.060 410 HA SER 50 HA SER 50 1.771 -5.568 7.526 411 HB2 SER 50 HB2 SER 50 0.088 -3.521 6.056 412 HB3 SER 50 HB3 SER 50 -0.429 -4.497 7.428 413 HG SER 50 HG SER 50 1.766 -2.690 7.528 414 H TYR 51 H TYR 51 1.528 -4.955 4.089 415 HA TYR 51 HA TYR 51 -0.464 -6.951 3.588 416 HB2 TYR 51 HB2 TYR 51 0.165 -4.907 2.124 417 HB3 TYR 51 HB3 TYR 51 1.477 -5.915 1.530 418 HD1 TYR 51 HD1 TYR 51 0.537 -8.430 0.909 419 HD2 TYR 51 HD2 TYR 51 -1.659 -4.802 0.761 420 HE1 TYR 51 HE1 TYR 51 -1.008 -9.442 -0.737 421 HE2 TYR 51 HE2 TYR 51 -3.206 -5.809 -0.891 422 HH TYR 51 HH TYR 51 -3.320 -7.567 -2.461 423 H CYS 52 H CYS 52 3.052 -6.773 3.153 424 HA CYS 52 HA CYS 52 3.328 -9.434 2.223 425 HB2 CYS 52 HB2 CYS 52 5.021 -7.730 1.778 426 HB3 CYS 52 HB3 CYS 52 5.389 -7.609 3.491 427 HG CYS 52 HG CYS 52 5.997 -10.251 1.421 428 H GLN 53 H GLN 53 3.260 -8.005 5.392 429 HA GLN 53 HA GLN 53 4.268 -10.286 6.781 430 HB2 GLN 53 HB2 GLN 53 2.681 -7.903 7.746 431 HB3 GLN 53 HB3 GLN 53 3.363 -9.126 8.807 432 HG2 GLN 53 HG2 GLN 53 5.039 -7.551 6.890 433 HG3 GLN 53 HG3 GLN 53 4.689 -6.970 8.520 434 HE21 GLN 53 HE21 GLN 53 5.575 -8.073 10.271 435 HE22 GLN 53 HE22 GLN 53 6.895 -9.173 10.092 436 H ARG 54 H ARG 54 1.064 -9.199 5.825 437 HA ARG 54 HA ARG 54 -0.213 -11.263 7.396 438 HB2 ARG 54 HB2 ARG 54 -1.227 -8.999 7.068 439 HB3 ARG 54 HB3 ARG 54 -1.463 -9.411 5.375 440 HG2 ARG 54 HG2 ARG 54 -3.528 -9.785 6.471 441 HG3 ARG 54 HG3 ARG 54 -2.828 -11.370 6.139 442 HD2 ARG 54 HD2 ARG 54 -1.882 -11.274 8.502 443 HD3 ARG 54 HD3 ARG 54 -2.950 -9.895 8.756 444 HE ARG 54 HE ARG 54 -4.009 -12.508 7.905 445 HH11 ARG 54 HH11 ARG 54 -4.003 -9.805 10.165 446 HH12 ARG 54 HH12 ARG 54 -5.317 -10.421 11.098 447 HH21 ARG 54 HH21 ARG 54 -5.759 -13.314 9.145 448 HH22 ARG 54 HH22 ARG 54 -6.321 -12.418 10.515 449 H GLN 55 H GLN 55 0.105 -10.495 3.924 450 HA GLN 55 HA GLN 55 -1.136 -13.020 3.235 451 HB2 GLN 55 HB2 GLN 55 -0.187 -10.651 1.674 452 HB3 GLN 55 HB3 GLN 55 -0.496 -12.171 0.847 453 HG2 GLN 55 HG2 GLN 55 -2.446 -10.843 0.646 454 HG3 GLN 55 HG3 GLN 55 -2.808 -12.127 1.793 455 HE21 GLN 55 HE21 GLN 55 -0.941 -9.215 2.525 456 HE22 GLN 55 HE22 GLN 55 -2.117 -8.547 3.610 457 H GLY 56 H GLY 56 2.012 -11.905 3.809 458 HA2 GLY 56 HA2 GLY 56 4.066 -12.893 3.608 459 HA3 GLY 56 HA3 GLY 56 3.202 -14.418 3.493 460 H VAL 57 H VAL 57 3.231 -11.638 1.291 461 HA VAL 57 HA VAL 57 4.410 -13.366 -0.773 462 HB VAL 57 HB VAL 57 3.006 -12.024 -2.447 463 HG11 VAL 57 HG11 VAL 57 1.576 -13.851 -0.524 464 HG12 VAL 57 HG12 VAL 57 2.534 -14.354 -1.918 465 HG13 VAL 57 HG13 VAL 57 1.037 -13.452 -2.155 466 HG21 VAL 57 HG21 VAL 57 0.924 -11.047 -1.610 467 HG22 VAL 57 HG22 VAL 57 2.330 -10.229 -0.919 468 HG23 VAL 57 HG23 VAL 57 1.425 -11.392 0.046 469 HA PRO 58 HA PRO 58 7.391 -10.193 -1.395 470 HB2 PRO 58 HB2 PRO 58 7.807 -10.294 -4.086 471 HB3 PRO 58 HB3 PRO 58 8.408 -11.523 -2.966 472 HG2 PRO 58 HG2 PRO 58 5.962 -11.571 -4.694 473 HG3 PRO 58 HG3 PRO 58 7.149 -12.857 -4.399 474 HD2 PRO 58 HD2 PRO 58 4.761 -12.799 -3.156 475 HD3 PRO 58 HD3 PRO 58 6.221 -13.416 -2.362 476 H MET 59 H MET 59 6.589 -8.205 -0.974 477 HA MET 59 HA MET 59 4.569 -6.953 -2.512 478 HB2 MET 59 HB2 MET 59 6.028 -6.410 -0.065 479 HB3 MET 59 HB3 MET 59 5.736 -4.954 -1.005 480 HG2 MET 59 HG2 MET 59 3.987 -5.418 0.692 481 HG3 MET 59 HG3 MET 59 3.360 -5.318 -0.948 482 HE1 MET 59 HE1 MET 59 3.099 -8.058 -2.376 483 HE2 MET 59 HE2 MET 59 1.918 -6.823 -1.940 484 HE3 MET 59 HE3 MET 59 1.612 -8.507 -1.543 485 H ASN 60 H ASN 60 7.822 -7.277 -3.185 486 HA ASN 60 HA ASN 60 8.038 -4.677 -4.501 487 HB2 ASN 60 HB2 ASN 60 10.038 -6.934 -4.238 488 HB3 ASN 60 HB3 ASN 60 10.345 -5.472 -5.164 489 HD21 ASN 60 HD21 ASN 60 8.575 -5.597 -2.151 490 HD22 ASN 60 HD22 ASN 60 9.722 -4.735 -1.200 491 H SER 61 H SER 61 7.573 -8.027 -5.329 492 HA SER 61 HA SER 61 7.972 -7.905 -8.078 493 HB2 SER 61 HB2 SER 61 5.988 -9.624 -6.584 494 HB3 SER 61 HB3 SER 61 6.623 -9.933 -8.202 495 HG SER 61 HG SER 61 8.727 -10.018 -7.232 496 H LEU 62 H LEU 62 5.376 -6.608 -6.206 497 HA LEU 62 HA LEU 62 4.108 -5.772 -8.688 498 HB2 LEU 62 HB2 LEU 62 1.956 -5.655 -7.275 499 HB3 LEU 62 HB3 LEU 62 2.472 -7.192 -7.913 500 HG LEU 62 HG LEU 62 1.522 -7.225 -5.595 501 HD11 LEU 62 HD11 LEU 62 4.313 -8.281 -5.897 502 HD12 LEU 62 HD12 LEU 62 2.829 -9.064 -6.437 503 HD13 LEU 62 HD13 LEU 62 3.120 -8.820 -4.716 504 HD21 LEU 62 HD21 LEU 62 4.141 -5.947 -4.833 505 HD22 LEU 62 HD22 LEU 62 2.908 -6.551 -3.729 506 HD23 LEU 62 HD23 LEU 62 2.561 -5.168 -4.763 507 H ARG 63 H ARG 63 2.629 -3.779 -8.197 508 HA ARG 63 HA ARG 63 4.016 -2.043 -6.275 509 HB2 ARG 63 HB2 ARG 63 3.859 -0.142 -7.849 510 HB3 ARG 63 HB3 ARG 63 4.898 -1.423 -8.448 511 HG2 ARG 63 HG2 ARG 63 2.034 -1.312 -9.288 512 HG3 ARG 63 HG3 ARG 63 3.227 -0.253 -10.046 513 HD2 ARG 63 HD2 ARG 63 4.535 -2.148 -10.749 514 HD3 ARG 63 HD3 ARG 63 3.500 -3.242 -9.831 515 HE ARG 63 HE ARG 63 2.112 -3.314 -11.602 516 HH11 ARG 63 HH11 ARG 63 3.933 -0.328 -11.867 517 HH12 ARG 63 HH12 ARG 63 3.219 0.128 -13.374 518 HH21 ARG 63 HH21 ARG 63 1.186 -2.710 -13.636 519 HH22 ARG 63 HH22 ARG 63 1.674 -1.235 -14.383 520 H PHE 64 H PHE 64 2.739 -0.008 -5.841 521 HA PHE 64 HA PHE 64 -0.084 -0.770 -5.588 522 HB2 PHE 64 HB2 PHE 64 1.690 0.804 -3.714 523 HB3 PHE 64 HB3 PHE 64 -0.059 0.740 -3.551 524 HD1 PHE 64 HD1 PHE 64 2.788 -1.665 -3.964 525 HD2 PHE 64 HD2 PHE 64 -0.877 -0.745 -2.005 526 HE1 PHE 64 HE1 PHE 64 3.002 -3.710 -2.615 527 HE2 PHE 64 HE2 PHE 64 -0.668 -2.793 -0.655 528 HZ PHE 64 HZ PHE 64 1.270 -4.277 -0.958 529 H LEU 65 H LEU 65 -1.252 0.324 -6.933 530 HA LEU 65 HA LEU 65 -0.607 3.166 -7.429 531 HB2 LEU 65 HB2 LEU 65 -1.971 1.319 -9.361 532 HB3 LEU 65 HB3 LEU 65 -1.405 2.944 -9.668 533 HG LEU 65 HG LEU 65 0.332 0.516 -9.200 534 HD11 LEU 65 HD11 LEU 65 1.011 0.869 -11.528 535 HD12 LEU 65 HD12 LEU 65 -0.177 2.167 -11.665 536 HD13 LEU 65 HD13 LEU 65 -0.709 0.510 -11.380 537 HD21 LEU 65 HD21 LEU 65 2.210 1.994 -9.728 538 HD22 LEU 65 HD22 LEU 65 1.370 2.506 -8.264 539 HD23 LEU 65 HD23 LEU 65 1.111 3.373 -9.780 540 H PHE 66 H PHE 66 -2.169 4.580 -7.234 541 HA PHE 66 HA PHE 66 -4.844 3.587 -6.507 542 HB2 PHE 66 HB2 PHE 66 -3.978 4.804 -4.657 543 HB3 PHE 66 HB3 PHE 66 -3.354 6.082 -5.685 544 HD1 PHE 66 HD1 PHE 66 -6.721 4.485 -5.536 545 HD2 PHE 66 HD2 PHE 66 -4.413 8.029 -5.068 546 HE1 PHE 66 HE1 PHE 66 -8.775 5.771 -5.198 547 HE2 PHE 66 HE2 PHE 66 -6.470 9.327 -4.720 548 HZ PHE 66 HZ PHE 66 -8.659 8.200 -4.783 549 H GLU 67 H GLU 67 -6.030 3.621 -8.288 550 HA GLU 67 HA GLU 67 -6.977 4.254 -10.246 551 HB2 GLU 67 HB2 GLU 67 -8.153 6.348 -10.187 552 HB3 GLU 67 HB3 GLU 67 -8.117 5.705 -8.559 553 HG2 GLU 67 HG2 GLU 67 -6.531 7.302 -7.850 554 HG3 GLU 67 HG3 GLU 67 -6.155 7.767 -9.507 555 H GLY 68 H GLY 68 -4.055 4.353 -10.258 556 HA2 GLY 68 HA2 GLY 68 -2.781 4.767 -12.265 557 HA3 GLY 68 HA3 GLY 68 -3.725 6.228 -12.504 558 H GLN 69 H GLN 69 -2.956 6.063 -9.277 559 HA GLN 69 HA GLN 69 -0.800 8.003 -9.579 560 HB2 GLN 69 HB2 GLN 69 -2.387 7.077 -7.180 561 HB3 GLN 69 HB3 GLN 69 -1.096 8.266 -7.088 562 HG2 GLN 69 HG2 GLN 69 -3.611 8.560 -8.724 563 HG3 GLN 69 HG3 GLN 69 -3.379 9.227 -7.112 564 HE21 GLN 69 HE21 GLN 69 -0.595 9.935 -7.601 565 HE22 GLN 69 HE22 GLN 69 -0.631 11.313 -8.632 566 H ARG 70 H ARG 70 1.234 7.740 -8.648 567 HA ARG 70 HA ARG 70 2.033 4.951 -8.337 568 HB2 ARG 70 HB2 ARG 70 3.215 6.320 -9.999 569 HB3 ARG 70 HB3 ARG 70 3.676 7.452 -8.738 570 HG2 ARG 70 HG2 ARG 70 5.549 6.085 -9.199 571 HG3 ARG 70 HG3 ARG 70 4.902 5.599 -7.630 572 HD2 ARG 70 HD2 ARG 70 3.743 3.718 -8.688 573 HD3 ARG 70 HD3 ARG 70 4.379 4.207 -10.258 574 HE ARG 70 HE ARG 70 6.326 3.641 -8.176 575 HH11 ARG 70 HH11 ARG 70 4.634 2.523 -11.042 576 HH12 ARG 70 HH12 ARG 70 5.762 1.254 -11.366 577 HH21 ARG 70 HH21 ARG 70 7.822 1.922 -8.603 578 HH22 ARG 70 HH22 ARG 70 7.579 0.913 -9.983 579 H ILE 71 H ILE 71 2.029 4.232 -6.268 580 HA ILE 71 HA ILE 71 2.918 6.118 -4.195 581 HB ILE 71 HB ILE 71 1.271 3.589 -3.912 582 HG12 ILE 71 HG12 ILE 71 -0.380 5.265 -2.877 583 HG13 ILE 71 HG13 ILE 71 0.618 6.524 -3.587 584 HG21 ILE 71 HG21 ILE 71 1.171 4.084 -1.518 585 HG22 ILE 71 HG22 ILE 71 2.251 5.460 -1.752 586 HG23 ILE 71 HG23 ILE 71 2.836 3.824 -2.045 587 HD11 ILE 71 HD11 ILE 71 -0.817 4.349 -5.100 588 HD12 ILE 71 HD12 ILE 71 0.163 5.631 -5.814 589 HD13 ILE 71 HD13 ILE 71 -1.326 6.030 -4.964 590 H ALA 72 H ALA 72 5.147 5.868 -4.256 591 HA ALA 72 HA ALA 72 6.128 3.119 -4.018 592 HB1 ALA 72 HB1 ALA 72 8.302 3.974 -4.651 593 HB2 ALA 72 HB2 ALA 72 7.684 5.627 -4.619 594 HB3 ALA 72 HB3 ALA 72 7.081 4.482 -5.818 595 H ASP 73 H ASP 73 5.307 3.152 -1.823 596 HA ASP 73 HA ASP 73 5.543 3.168 0.436 597 HB2 ASP 73 HB2 ASP 73 8.384 2.849 -0.496 598 HB3 ASP 73 HB3 ASP 73 7.897 2.650 1.185 599 H ASN 74 H ASN 74 5.673 5.933 -0.749 600 HA ASN 74 HA ASN 74 6.611 7.200 1.685 601 HB2 ASN 74 HB2 ASN 74 8.105 8.763 0.720 602 HB3 ASN 74 HB3 ASN 74 8.570 7.198 0.069 603 HD21 ASN 74 HD21 ASN 74 8.204 6.763 -2.091 604 HD22 ASN 74 HD22 ASN 74 7.848 8.016 -3.230 605 H HIS 75 H HIS 75 4.667 7.191 -1.141 606 HA HIS 75 HA HIS 75 3.671 9.795 -1.029 607 HB2 HIS 75 HB2 HIS 75 3.231 7.544 -2.601 608 HB3 HIS 75 HB3 HIS 75 1.674 7.846 -1.837 609 HD1 HIS 75 HD1 HIS 75 3.091 8.486 -4.887 610 HD2 HIS 75 HD2 HIS 75 1.390 11.001 -2.047 611 HE1 HIS 75 HE1 HIS 75 2.461 10.554 -6.122 612 HE2 HIS 75 HE2 HIS 75 1.769 12.167 -4.329 613 H THR 76 H THR 76 1.781 10.602 -0.081 614 HA THR 76 HA THR 76 0.944 9.096 2.297 615 HB THR 76 HB THR 76 0.390 11.309 3.290 616 HG1 THR 76 HG1 THR 76 1.937 12.733 1.536 617 HG21 THR 76 HG21 THR 76 2.565 10.226 3.708 618 HG22 THR 76 HG22 THR 76 2.682 11.987 3.724 619 HG23 THR 76 HG23 THR 76 3.235 11.079 2.316 620 HA PRO 77 HA PRO 77 -3.252 8.938 0.948 621 HB2 PRO 77 HB2 PRO 77 -4.562 9.583 3.312 622 HB3 PRO 77 HB3 PRO 77 -3.935 7.981 2.925 623 HG2 PRO 77 HG2 PRO 77 -2.738 10.131 4.608 624 HG3 PRO 77 HG3 PRO 77 -2.739 8.375 4.857 625 HD2 PRO 77 HD2 PRO 77 -0.580 9.683 3.945 626 HD3 PRO 77 HD3 PRO 77 -0.980 8.042 3.400 627 H LYS 78 H LYS 78 -2.124 11.756 2.630 628 HA LYS 78 HA LYS 78 -4.407 13.386 2.017 629 HB2 LYS 78 HB2 LYS 78 -3.118 15.220 3.032 630 HB3 LYS 78 HB3 LYS 78 -3.099 13.795 4.049 631 HG2 LYS 78 HG2 LYS 78 -0.874 13.407 3.725 632 HG3 LYS 78 HG3 LYS 78 -0.859 14.179 2.139 633 HD2 LYS 78 HD2 LYS 78 -1.037 16.367 3.175 634 HD3 LYS 78 HD3 LYS 78 -1.132 15.630 4.774 635 HE2 LYS 78 HE2 LYS 78 1.106 14.724 4.514 636 HE3 LYS 78 HE3 LYS 78 1.198 15.374 2.879 637 HZ1 LYS 78 HZ1 LYS 78 1.045 17.602 3.789 638 HZ2 LYS 78 HZ2 LYS 78 2.353 16.785 4.473 639 HZ3 LYS 78 HZ3 LYS 78 0.931 16.987 5.356 640 H GLU 79 H GLU 79 -1.217 12.825 0.686 641 HA GLU 79 HA GLU 79 -1.289 15.082 -1.081 642 HB2 GLU 79 HB2 GLU 79 0.786 14.113 -0.124 643 HB3 GLU 79 HB3 GLU 79 0.515 12.671 -1.086 644 HG2 GLU 79 HG2 GLU 79 2.145 14.057 -2.169 645 HG3 GLU 79 HG3 GLU 79 0.664 14.043 -3.126 646 H LEU 80 H LEU 80 -2.229 11.766 -1.185 647 HA LEU 80 HA LEU 80 -2.334 11.568 -4.050 648 HB2 LEU 80 HB2 LEU 80 -3.452 9.858 -1.851 649 HB3 LEU 80 HB3 LEU 80 -3.576 9.463 -3.554 650 HG LEU 80 HG LEU 80 -0.921 9.905 -2.239 651 HD11 LEU 80 HD11 LEU 80 -2.433 7.317 -2.491 652 HD12 LEU 80 HD12 LEU 80 -2.133 8.203 -0.993 653 HD13 LEU 80 HD13 LEU 80 -0.780 7.520 -1.898 654 HD21 LEU 80 HD21 LEU 80 -0.142 8.525 -4.088 655 HD22 LEU 80 HD22 LEU 80 -1.011 9.940 -4.683 656 HD23 LEU 80 HD23 LEU 80 -1.796 8.359 -4.677 657 H GLY 81 H GLY 81 -4.323 13.000 -1.711 658 HA2 GLY 81 HA2 GLY 81 -6.313 14.133 -2.058 659 HA3 GLY 81 HA3 GLY 81 -6.307 13.548 -3.714 660 H MET 82 H MET 82 -5.974 11.187 -1.184 661 HA MET 82 HA MET 82 -8.694 10.330 -1.836 662 HB2 MET 82 HB2 MET 82 -7.932 8.025 -1.194 663 HB3 MET 82 HB3 MET 82 -7.219 8.675 -2.656 664 HG2 MET 82 HG2 MET 82 -5.404 7.713 -1.654 665 HG3 MET 82 HG3 MET 82 -5.278 9.368 -1.067 666 HE1 MET 82 HE1 MET 82 -4.451 6.207 1.553 667 HE2 MET 82 HE2 MET 82 -3.691 7.066 0.208 668 HE3 MET 82 HE3 MET 82 -4.923 5.840 -0.103 669 H GLU 83 H GLU 83 -9.591 8.807 0.006 670 HA GLU 83 HA GLU 83 -9.063 10.114 2.580 671 HB2 GLU 83 HB2 GLU 83 -11.519 10.469 2.885 672 HB3 GLU 83 HB3 GLU 83 -10.801 11.451 1.619 673 HG2 GLU 83 HG2 GLU 83 -11.615 9.802 -0.049 674 HG3 GLU 83 HG3 GLU 83 -12.454 8.968 1.259 675 H GLU 84 H GLU 84 -11.336 9.019 3.905 676 HA GLU 84 HA GLU 84 -10.325 6.443 4.507 677 HB2 GLU 84 HB2 GLU 84 -12.251 6.280 6.056 678 HB3 GLU 84 HB3 GLU 84 -11.321 7.758 6.258 679 HG2 GLU 84 HG2 GLU 84 -13.018 8.953 4.914 680 HG3 GLU 84 HG3 GLU 84 -13.973 7.472 4.873 681 H GLU 85 H GLU 85 -11.566 4.461 4.522 682 HA GLU 85 HA GLU 85 -12.465 2.743 3.415 683 HB2 GLU 85 HB2 GLU 85 -14.502 4.142 4.103 684 HB3 GLU 85 HB3 GLU 85 -14.571 4.654 2.424 685 HG2 GLU 85 HG2 GLU 85 -14.907 2.389 1.695 686 HG3 GLU 85 HG3 GLU 85 -14.684 1.791 3.339 687 H ASP 86 H ASP 86 -10.467 4.343 2.018 688 HA ASP 86 HA ASP 86 -11.349 4.420 -0.727 689 HB2 ASP 86 HB2 ASP 86 -9.423 5.766 0.756 690 HB3 ASP 86 HB3 ASP 86 -8.511 4.747 -0.351 691 H VAL 87 H VAL 87 -9.972 3.428 -2.409 692 HA VAL 87 HA VAL 87 -8.967 0.825 -1.526 693 HB VAL 87 HB VAL 87 -11.169 0.529 -2.554 694 HG11 VAL 87 HG11 VAL 87 -11.536 1.027 -4.923 695 HG12 VAL 87 HG12 VAL 87 -9.967 1.829 -4.987 696 HG13 VAL 87 HG13 VAL 87 -11.251 2.478 -3.966 697 HG21 VAL 87 HG21 VAL 87 -10.569 -1.120 -4.276 698 HG22 VAL 87 HG22 VAL 87 -9.534 -1.248 -2.854 699 HG23 VAL 87 HG23 VAL 87 -8.930 -0.468 -4.317 700 H ILE 88 H ILE 88 -7.208 0.057 -2.519 701 HA ILE 88 HA ILE 88 -5.873 1.791 -4.507 702 HB ILE 88 HB ILE 88 -4.415 0.153 -2.415 703 HG12 ILE 88 HG12 ILE 88 -5.683 2.028 -1.360 704 HG13 ILE 88 HG13 ILE 88 -3.939 2.205 -1.206 705 HG21 ILE 88 HG21 ILE 88 -3.413 2.287 -4.283 706 HG22 ILE 88 HG22 ILE 88 -3.204 0.552 -4.495 707 HG23 ILE 88 HG23 ILE 88 -2.443 1.368 -3.125 708 HD11 ILE 88 HD11 ILE 88 -5.660 3.624 -3.227 709 HD12 ILE 88 HD12 ILE 88 -3.927 3.845 -2.975 710 HD13 ILE 88 HD13 ILE 88 -5.068 4.315 -1.717 711 H GLU 89 H GLU 89 -4.643 0.663 -6.107 712 HA GLU 89 HA GLU 89 -5.459 -2.148 -6.332 713 HB2 GLU 89 HB2 GLU 89 -4.764 -0.334 -8.626 714 HB3 GLU 89 HB3 GLU 89 -5.604 -1.879 -8.677 715 HG2 GLU 89 HG2 GLU 89 -7.428 -0.766 -7.320 716 HG3 GLU 89 HG3 GLU 89 -6.617 0.752 -7.664 717 H VAL 90 H VAL 90 -3.919 -3.626 -6.474 718 HA VAL 90 HA VAL 90 -1.153 -2.697 -6.746 719 HB VAL 90 HB VAL 90 -2.207 -5.242 -5.489 720 HG11 VAL 90 HG11 VAL 90 -0.046 -5.611 -6.510 721 HG12 VAL 90 HG12 VAL 90 0.098 -5.597 -4.751 722 HG13 VAL 90 HG13 VAL 90 0.603 -4.192 -5.691 723 HG21 VAL 90 HG21 VAL 90 -2.667 -3.261 -4.155 724 HG22 VAL 90 HG22 VAL 90 -0.967 -2.798 -4.259 725 HG23 VAL 90 HG23 VAL 90 -1.429 -4.263 -3.394 726 H TYR 91 H TYR 91 -0.218 -3.078 -8.594 727 HA TYR 91 HA TYR 91 -1.310 -5.189 -10.334 728 HB2 TYR 91 HB2 TYR 91 0.321 -2.749 -11.024 729 HB3 TYR 91 HB3 TYR 91 -0.258 -3.937 -12.181 730 HD1 TYR 91 HD1 TYR 91 -1.251 -1.269 -9.858 731 HD2 TYR 91 HD2 TYR 91 -2.538 -3.897 -12.936 732 HE1 TYR 91 HE1 TYR 91 -3.316 0.024 -10.086 733 HE2 TYR 91 HE2 TYR 91 -4.620 -2.605 -13.169 734 HH TYR 91 HH TYR 91 -6.002 -1.077 -11.763 735 H GLN 92 H GLN 92 -0.030 -6.807 -11.041 736 HA GLN 92 HA GLN 92 2.537 -7.126 -9.789 737 HB2 GLN 92 HB2 GLN 92 0.719 -8.915 -10.341 738 HB3 GLN 92 HB3 GLN 92 1.490 -8.960 -11.921 739 HG2 GLN 92 HG2 GLN 92 2.909 -9.451 -9.301 740 HG3 GLN 92 HG3 GLN 92 2.266 -10.720 -10.336 741 HE21 GLN 92 HE21 GLN 92 4.989 -10.158 -9.445 742 HE22 GLN 92 HE22 GLN 92 5.950 -9.996 -10.868 743 H GLU 93 H GLU 93 4.355 -6.418 -10.579 744 HA GLU 93 HA GLU 93 5.206 -6.718 -13.222 745 HB2 GLU 93 HB2 GLU 93 3.693 -4.881 -13.702 746 HB3 GLU 93 HB3 GLU 93 4.426 -3.896 -12.444 747 HG2 GLU 93 HG2 GLU 93 6.551 -3.966 -13.719 748 HG3 GLU 93 HG3 GLU 93 5.716 -4.852 -14.995 749 H GLN 94 H GLN 94 7.312 -6.915 -13.042 750 HA GLN 94 HA GLN 94 8.639 -6.709 -10.630 751 HB2 GLN 94 HB2 GLN 94 10.681 -7.126 -11.849 752 HB3 GLN 94 HB3 GLN 94 9.388 -8.101 -12.527 753 HG2 GLN 94 HG2 GLN 94 9.172 -6.606 -14.397 754 HG3 GLN 94 HG3 GLN 94 10.346 -5.498 -13.690 755 HE21 GLN 94 HE21 GLN 94 9.876 -8.480 -15.365 756 HE22 GLN 94 HE22 GLN 94 11.534 -8.764 -15.749 757 H THR 95 H THR 95 10.098 -5.274 -9.744 758 HA THR 95 HA THR 95 10.105 -2.596 -10.915 759 HB THR 95 HB THR 95 10.619 -1.900 -8.495 760 HG1 THR 95 HG1 THR 95 9.269 -4.182 -7.620 761 HG21 THR 95 HG21 THR 95 7.914 -3.113 -9.104 762 HG22 THR 95 HG22 THR 95 8.441 -1.492 -9.553 763 HG23 THR 95 HG23 THR 95 8.246 -1.915 -7.852 764 H GLY 96 H GLY 96 12.095 -1.575 -11.117 765 HA2 GLY 96 HA2 GLY 96 14.432 -1.361 -10.678 766 HA3 GLY 96 HA3 GLY 96 14.459 -3.044 -10.167 767 H GLY 97 H GLY 97 12.866 -1.938 -13.060 768 HA2 GLY 97 HA2 GLY 97 14.710 -3.575 -14.638 769 HA3 GLY 97 HA3 GLY 97 13.120 -3.015 -15.150 Start of MODEL 8 1 H MET 1 H MET 1 14.795 -9.437 5.278 2 HA MET 1 HA MET 1 15.020 -10.883 7.174 3 HB2 MET 1 HB2 MET 1 17.395 -9.100 6.624 4 HB3 MET 1 HB3 MET 1 17.497 -10.569 7.576 5 HG2 MET 1 HG2 MET 1 16.858 -11.895 5.670 6 HG3 MET 1 HG3 MET 1 16.603 -10.440 4.709 7 HE1 MET 1 HE1 MET 1 19.295 -12.556 6.677 8 HE2 MET 1 HE2 MET 1 19.539 -10.923 7.293 9 HE3 MET 1 HE3 MET 1 20.770 -11.678 6.284 10 H SER 2 H SER 2 14.439 -10.942 9.243 11 HA SER 2 HA SER 2 14.232 -8.821 10.984 12 HB2 SER 2 HB2 SER 2 14.841 -11.691 11.702 13 HB3 SER 2 HB3 SER 2 14.149 -10.480 12.780 14 HG SER 2 HG SER 2 12.742 -12.073 11.507 15 H ASP 3 H ASP 3 15.775 -7.469 11.569 16 HA ASP 3 HA ASP 3 18.225 -8.468 12.756 17 HB2 ASP 3 HB2 ASP 3 18.489 -8.017 10.189 18 HB3 ASP 3 HB3 ASP 3 18.443 -6.322 10.659 19 H GLN 4 H GLN 4 19.510 -6.286 13.529 20 HA GLN 4 HA GLN 4 17.886 -5.009 15.326 21 HB2 GLN 4 HB2 GLN 4 20.563 -4.344 14.178 22 HB3 GLN 4 HB3 GLN 4 19.784 -3.288 15.350 23 HG2 GLN 4 HG2 GLN 4 19.654 -5.061 16.916 24 HG3 GLN 4 HG3 GLN 4 20.369 -6.187 15.759 25 HE21 GLN 4 HE21 GLN 4 20.931 -3.574 17.942 26 HE22 GLN 4 HE22 GLN 4 22.658 -3.646 17.923 27 H GLU 5 H GLU 5 16.712 -3.268 15.384 28 HA GLU 5 HA GLU 5 16.965 -1.265 13.402 29 HB2 GLU 5 HB2 GLU 5 15.425 -2.935 12.349 30 HB3 GLU 5 HB3 GLU 5 14.338 -2.749 13.716 31 HG2 GLU 5 HG2 GLU 5 14.091 -0.354 13.113 32 HG3 GLU 5 HG3 GLU 5 15.058 -0.664 11.671 33 H ALA 6 H ALA 6 15.423 0.580 13.970 34 HA ALA 6 HA ALA 6 15.030 0.647 16.881 35 HB1 ALA 6 HB1 ALA 6 15.267 3.085 16.702 36 HB2 ALA 6 HB2 ALA 6 15.518 2.933 14.963 37 HB3 ALA 6 HB3 ALA 6 16.700 2.259 16.086 38 H LYS 7 H LYS 7 13.159 2.071 17.528 39 HA LYS 7 HA LYS 7 10.844 1.249 16.178 40 HB2 LYS 7 HB2 LYS 7 9.771 3.190 17.620 41 HB3 LYS 7 HB3 LYS 7 10.323 1.704 18.365 42 HG2 LYS 7 HG2 LYS 7 11.008 3.545 19.722 43 HG3 LYS 7 HG3 LYS 7 12.439 2.850 18.973 44 HD2 LYS 7 HD2 LYS 7 12.601 5.253 18.888 45 HD3 LYS 7 HD3 LYS 7 12.324 4.646 17.253 46 HE2 LYS 7 HE2 LYS 7 10.034 5.250 17.330 47 HE3 LYS 7 HE3 LYS 7 10.143 5.657 19.046 48 HZ1 LYS 7 HZ1 LYS 7 11.614 7.062 16.879 49 HZ2 LYS 7 HZ2 LYS 7 11.596 7.476 18.519 50 HZ3 LYS 7 HZ3 LYS 7 10.190 7.615 17.601 51 HA PRO 8 HA PRO 8 10.646 3.904 12.703 52 HB2 PRO 8 HB2 PRO 8 7.931 3.884 12.343 53 HB3 PRO 8 HB3 PRO 8 9.000 2.559 11.868 54 HG2 PRO 8 HG2 PRO 8 7.400 2.876 14.388 55 HG3 PRO 8 HG3 PRO 8 7.528 1.451 13.326 56 HD2 PRO 8 HD2 PRO 8 8.909 1.586 15.570 57 HD3 PRO 8 HD3 PRO 8 9.675 0.953 14.095 58 H SER 9 H SER 9 7.581 4.666 14.168 59 HA SER 9 HA SER 9 6.597 6.542 14.848 60 HB2 SER 9 HB2 SER 9 9.405 7.400 15.528 61 HB3 SER 9 HB3 SER 9 7.961 8.320 15.956 62 HG SER 9 HG SER 9 7.234 6.361 17.037 63 H THR 10 H THR 10 5.815 7.005 12.812 64 HA THR 10 HA THR 10 7.166 8.355 10.776 65 HB THR 10 HB THR 10 4.209 8.624 11.297 66 HG1 THR 10 HG1 THR 10 3.915 6.557 10.734 67 HG21 THR 10 HG21 THR 10 5.141 9.808 9.355 68 HG22 THR 10 HG22 THR 10 4.076 8.497 8.852 69 HG23 THR 10 HG23 THR 10 5.825 8.296 8.761 70 H GLU 11 H GLU 11 7.207 10.548 10.187 71 HA GLU 11 HA GLU 11 7.461 12.393 12.255 72 HB2 GLU 11 HB2 GLU 11 7.244 14.122 10.340 73 HB3 GLU 11 HB3 GLU 11 8.635 13.055 10.395 74 HG2 GLU 11 HG2 GLU 11 6.223 12.370 8.744 75 HG3 GLU 11 HG3 GLU 11 7.459 13.467 8.134 76 H ASP 12 H ASP 12 6.138 13.531 13.357 77 HA ASP 12 HA ASP 12 3.304 13.646 12.563 78 HB2 ASP 12 HB2 ASP 12 3.951 12.231 14.551 79 HB3 ASP 12 HB3 ASP 12 4.486 13.714 15.331 80 H LEU 13 H LEU 13 2.312 15.518 14.160 81 HA LEU 13 HA LEU 13 3.424 17.940 13.164 82 HB2 LEU 13 HB2 LEU 13 1.276 17.501 15.235 83 HB3 LEU 13 HB3 LEU 13 1.639 19.026 14.453 84 HG LEU 13 HG LEU 13 0.563 16.561 13.090 85 HD11 LEU 13 HD11 LEU 13 -1.469 17.904 12.821 86 HD12 LEU 13 HD12 LEU 13 -0.735 19.188 13.785 87 HD13 LEU 13 HD13 LEU 13 -1.080 17.623 14.519 88 HD21 LEU 13 HD21 LEU 13 1.991 17.825 11.602 89 HD22 LEU 13 HD22 LEU 13 1.162 19.318 12.037 90 HD23 LEU 13 HD23 LEU 13 0.301 18.059 11.148 91 H GLY 14 H GLY 14 3.486 16.206 16.190 92 HA2 GLY 14 HA2 GLY 14 5.145 16.422 17.841 93 HA3 GLY 14 HA3 GLY 14 5.651 17.935 17.097 94 H ASP 15 H ASP 15 3.284 19.309 17.006 95 HA ASP 15 HA ASP 15 2.973 20.169 19.716 96 HB2 ASP 15 HB2 ASP 15 2.784 21.837 18.005 97 HB3 ASP 15 HB3 ASP 15 1.566 20.900 17.143 98 H LYS 16 H LYS 16 0.572 19.033 17.369 99 HA LYS 16 HA LYS 16 -0.828 17.745 19.591 100 HB2 LYS 16 HB2 LYS 16 -1.920 18.766 16.967 101 HB3 LYS 16 HB3 LYS 16 -2.844 17.860 18.158 102 HG2 LYS 16 HG2 LYS 16 -2.494 19.660 19.786 103 HG3 LYS 16 HG3 LYS 16 -1.586 20.564 18.575 104 HD2 LYS 16 HD2 LYS 16 -3.851 21.398 18.675 105 HD3 LYS 16 HD3 LYS 16 -3.583 20.585 17.134 106 HE2 LYS 16 HE2 LYS 16 -5.765 19.991 18.062 107 HE3 LYS 16 HE3 LYS 16 -4.713 18.582 17.985 108 HZ1 LYS 16 HZ1 LYS 16 -4.233 18.923 20.368 109 HZ2 LYS 16 HZ2 LYS 16 -5.860 18.613 20.075 110 HZ3 LYS 16 HZ3 LYS 16 -5.351 20.188 20.399 111 H LYS 17 H LYS 17 -0.367 15.672 19.619 112 HA LYS 17 HA LYS 17 0.351 14.240 17.212 113 HB2 LYS 17 HB2 LYS 17 1.067 13.971 19.811 114 HB3 LYS 17 HB3 LYS 17 -0.216 12.773 19.731 115 HG2 LYS 17 HG2 LYS 17 2.078 12.847 17.806 116 HG3 LYS 17 HG3 LYS 17 2.120 11.943 19.318 117 HD2 LYS 17 HD2 LYS 17 -0.039 11.596 17.273 118 HD3 LYS 17 HD3 LYS 17 1.462 10.654 17.218 119 HE2 LYS 17 HE2 LYS 17 -0.546 10.736 19.476 120 HE3 LYS 17 HE3 LYS 17 -0.319 9.411 18.337 121 HZ1 LYS 17 HZ1 LYS 17 1.959 9.162 19.198 122 HZ2 LYS 17 HZ2 LYS 17 0.791 8.908 20.385 123 HZ3 LYS 17 HZ3 LYS 17 1.651 10.357 20.352 124 H GLU 18 H GLU 18 -2.366 15.244 18.564 125 HA GLU 18 HA GLU 18 -4.135 13.041 18.208 126 HB2 GLU 18 HB2 GLU 18 -4.723 15.988 18.424 127 HB3 GLU 18 HB3 GLU 18 -5.922 14.710 18.479 128 HG2 GLU 18 HG2 GLU 18 -4.976 13.872 20.533 129 HG3 GLU 18 HG3 GLU 18 -3.697 15.088 20.459 130 H GLY 19 H GLY 19 -3.520 12.440 16.022 131 HA2 GLY 19 HA2 GLY 19 -4.714 14.203 14.009 132 HA3 GLY 19 HA3 GLY 19 -3.479 12.981 13.683 133 H GLU 20 H GLU 20 -6.210 13.161 12.481 134 HA GLU 20 HA GLU 20 -7.598 11.035 13.787 135 HB2 GLU 20 HB2 GLU 20 -8.196 12.610 11.283 136 HB3 GLU 20 HB3 GLU 20 -9.272 11.425 12.015 137 HG2 GLU 20 HG2 GLU 20 -9.501 12.766 13.988 138 HG3 GLU 20 HG3 GLU 20 -8.294 13.905 13.406 139 H TYR 21 H TYR 21 -7.826 9.019 13.013 140 HA TYR 21 HA TYR 21 -6.006 8.281 10.844 141 HB2 TYR 21 HB2 TYR 21 -7.066 6.632 13.149 142 HB3 TYR 21 HB3 TYR 21 -6.055 6.019 11.844 143 HD1 TYR 21 HD1 TYR 21 -6.017 8.733 14.439 144 HD2 TYR 21 HD2 TYR 21 -3.767 5.879 12.226 145 HE1 TYR 21 HE1 TYR 21 -4.025 9.291 15.751 146 HE2 TYR 21 HE2 TYR 21 -1.766 6.447 13.533 147 HH TYR 21 HH TYR 21 -1.890 8.183 16.392 148 H ILE 22 H ILE 22 -6.739 7.048 9.149 149 HA ILE 22 HA ILE 22 -9.633 6.621 9.073 150 HB ILE 22 HB ILE 22 -9.350 6.774 6.597 151 HG12 ILE 22 HG12 ILE 22 -6.749 8.158 7.138 152 HG13 ILE 22 HG13 ILE 22 -6.794 6.421 6.858 153 HG21 ILE 22 HG21 ILE 22 -10.263 8.631 7.869 154 HG22 ILE 22 HG22 ILE 22 -9.259 9.230 6.550 155 HG23 ILE 22 HG23 ILE 22 -8.639 9.229 8.202 156 HD11 ILE 22 HD11 ILE 22 -7.795 8.543 4.985 157 HD12 ILE 22 HD12 ILE 22 -7.845 6.798 4.705 158 HD13 ILE 22 HD13 ILE 22 -6.291 7.627 4.827 159 H LYS 23 H LYS 23 -10.198 4.891 7.502 160 HA LYS 23 HA LYS 23 -8.240 2.711 7.603 161 HB2 LYS 23 HB2 LYS 23 -10.085 1.122 7.807 162 HB3 LYS 23 HB3 LYS 23 -10.126 2.273 9.133 163 HG2 LYS 23 HG2 LYS 23 -11.778 2.758 6.699 164 HG3 LYS 23 HG3 LYS 23 -12.325 1.600 7.916 165 HD2 LYS 23 HD2 LYS 23 -12.251 3.355 9.608 166 HD3 LYS 23 HD3 LYS 23 -11.638 4.503 8.415 167 HE2 LYS 23 HE2 LYS 23 -13.655 4.224 7.104 168 HE3 LYS 23 HE3 LYS 23 -14.276 3.070 8.281 169 HZ1 LYS 23 HZ1 LYS 23 -14.094 4.934 9.958 170 HZ2 LYS 23 HZ2 LYS 23 -15.280 5.126 8.775 171 HZ3 LYS 23 HZ3 LYS 23 -13.839 5.992 8.653 172 H LEU 24 H LEU 24 -7.999 1.536 5.752 173 HA LEU 24 HA LEU 24 -9.626 2.262 3.450 174 HB2 LEU 24 HB2 LEU 24 -6.622 2.221 3.238 175 HB3 LEU 24 HB3 LEU 24 -7.777 2.708 2.027 176 HG LEU 24 HG LEU 24 -8.383 4.548 3.812 177 HD11 LEU 24 HD11 LEU 24 -5.511 3.909 4.464 178 HD12 LEU 24 HD12 LEU 24 -6.889 3.677 5.538 179 HD13 LEU 24 HD13 LEU 24 -6.421 5.302 5.038 180 HD21 LEU 24 HD21 LEU 24 -6.736 6.015 2.722 181 HD22 LEU 24 HD22 LEU 24 -7.626 5.004 1.584 182 HD23 LEU 24 HD23 LEU 24 -5.972 4.585 2.025 183 H LYS 25 H LYS 25 -8.515 0.906 1.466 184 HA LYS 25 HA LYS 25 -7.990 -1.822 2.329 185 HB2 LYS 25 HB2 LYS 25 -10.400 -1.802 2.292 186 HB3 LYS 25 HB3 LYS 25 -10.411 -1.016 0.724 187 HG2 LYS 25 HG2 LYS 25 -8.931 -3.450 0.517 188 HG3 LYS 25 HG3 LYS 25 -10.478 -3.779 1.299 189 HD2 LYS 25 HD2 LYS 25 -10.090 -2.347 -1.333 190 HD3 LYS 25 HD3 LYS 25 -10.641 -4.013 -1.132 191 HE2 LYS 25 HE2 LYS 25 -12.552 -3.113 0.213 192 HE3 LYS 25 HE3 LYS 25 -12.035 -1.496 -0.258 193 HZ1 LYS 25 HZ1 LYS 25 -12.388 -2.097 -2.578 194 HZ2 LYS 25 HZ2 LYS 25 -13.801 -2.317 -1.685 195 HZ3 LYS 25 HZ3 LYS 25 -12.873 -3.652 -2.124 196 H VAL 26 H VAL 26 -6.924 -3.015 0.770 197 HA VAL 26 HA VAL 26 -6.561 -1.789 -1.860 198 HB VAL 26 HB VAL 26 -4.194 -1.884 -1.889 199 HG11 VAL 26 HG11 VAL 26 -3.461 -0.443 -0.115 200 HG12 VAL 26 HG12 VAL 26 -4.831 -0.924 0.883 201 HG13 VAL 26 HG13 VAL 26 -5.104 0.011 -0.579 202 HG21 VAL 26 HG21 VAL 26 -4.259 -3.320 0.749 203 HG22 VAL 26 HG22 VAL 26 -2.810 -2.860 -0.145 204 HG23 VAL 26 HG23 VAL 26 -3.925 -4.050 -0.818 205 H ILE 27 H ILE 27 -6.335 -3.239 -3.517 206 HA ILE 27 HA ILE 27 -6.385 -6.102 -2.779 207 HB ILE 27 HB ILE 27 -7.832 -4.775 -5.086 208 HG12 ILE 27 HG12 ILE 27 -9.115 -5.988 -2.659 209 HG13 ILE 27 HG13 ILE 27 -8.653 -4.288 -2.698 210 HG21 ILE 27 HG21 ILE 27 -7.201 -7.097 -5.524 211 HG22 ILE 27 HG22 ILE 27 -8.947 -6.946 -5.334 212 HG23 ILE 27 HG23 ILE 27 -7.971 -7.598 -4.018 213 HD11 ILE 27 HD11 ILE 27 -10.549 -5.640 -4.602 214 HD12 ILE 27 HD12 ILE 27 -10.104 -3.932 -4.602 215 HD13 ILE 27 HD13 ILE 27 -11.001 -4.608 -3.243 216 H GLY 28 H GLY 28 -5.155 -7.446 -4.030 217 HA2 GLY 28 HA2 GLY 28 -3.555 -6.101 -6.108 218 HA3 GLY 28 HA3 GLY 28 -2.867 -7.289 -5.005 219 H GLN 29 H GLN 29 -2.347 -7.835 -7.437 220 HA GLN 29 HA GLN 29 -4.249 -9.179 -9.020 221 HB2 GLN 29 HB2 GLN 29 -2.486 -9.685 -10.430 222 HB3 GLN 29 HB3 GLN 29 -1.799 -8.334 -9.545 223 HG2 GLN 29 HG2 GLN 29 -1.299 -11.250 -8.945 224 HG3 GLN 29 HG3 GLN 29 -0.212 -10.196 -9.837 225 HE21 GLN 29 HE21 GLN 29 -0.593 -7.898 -8.110 226 HE22 GLN 29 HE22 GLN 29 0.190 -8.281 -6.612 227 H ASP 30 H ASP 30 -2.923 -10.006 -6.088 228 HA ASP 30 HA ASP 30 -2.723 -12.849 -6.445 229 HB2 ASP 30 HB2 ASP 30 -1.258 -11.536 -4.910 230 HB3 ASP 30 HB3 ASP 30 -2.671 -11.166 -3.933 231 H SER 31 H SER 31 -5.259 -10.714 -6.098 232 HA SER 31 HA SER 31 -7.486 -10.989 -5.823 233 HB2 SER 31 HB2 SER 31 -6.952 -13.909 -5.181 234 HB3 SER 31 HB3 SER 31 -8.494 -13.189 -5.647 235 HG SER 31 HG SER 31 -6.157 -13.470 -7.234 236 H SER 32 H SER 32 -5.250 -10.931 -3.655 237 HA SER 32 HA SER 32 -6.968 -11.371 -1.345 238 HB2 SER 32 HB2 SER 32 -3.975 -10.989 -1.575 239 HB3 SER 32 HB3 SER 32 -4.845 -11.199 -0.051 240 HG SER 32 HG SER 32 -4.006 -13.064 -1.837 241 H GLU 33 H GLU 33 -6.839 -9.698 0.341 242 HA GLU 33 HA GLU 33 -6.064 -7.072 -0.547 243 HB2 GLU 33 HB2 GLU 33 -8.197 -6.030 -0.272 244 HB3 GLU 33 HB3 GLU 33 -8.429 -7.390 -1.355 245 HG2 GLU 33 HG2 GLU 33 -8.975 -7.660 1.574 246 HG3 GLU 33 HG3 GLU 33 -10.159 -6.931 0.497 247 H ILE 34 H ILE 34 -6.225 -5.510 1.211 248 HA ILE 34 HA ILE 34 -6.415 -6.736 3.854 249 HB ILE 34 HB ILE 34 -4.025 -6.820 3.233 250 HG12 ILE 34 HG12 ILE 34 -4.327 -4.701 5.325 251 HG13 ILE 34 HG13 ILE 34 -4.946 -6.327 5.605 252 HG21 ILE 34 HG21 ILE 34 -2.755 -4.704 3.094 253 HG22 ILE 34 HG22 ILE 34 -4.288 -3.828 3.047 254 HG23 ILE 34 HG23 ILE 34 -3.871 -4.953 1.752 255 HD11 ILE 34 HD11 ILE 34 -2.108 -5.581 4.977 256 HD12 ILE 34 HD12 ILE 34 -2.724 -7.213 5.248 257 HD13 ILE 34 HD13 ILE 34 -2.752 -6.032 6.559 258 H HIS 35 H HIS 35 -7.109 -5.396 5.443 259 HA HIS 35 HA HIS 35 -7.847 -2.654 4.649 260 HB2 HIS 35 HB2 HIS 35 -9.079 -4.354 6.840 261 HB3 HIS 35 HB3 HIS 35 -9.624 -2.770 6.322 262 HD1 HIS 35 HD1 HIS 35 -11.560 -5.153 6.337 263 HD2 HIS 35 HD2 HIS 35 -9.349 -3.978 3.027 264 HE1 HIS 35 HE1 HIS 35 -12.810 -6.025 4.341 265 HE2 HIS 35 HE2 HIS 35 -11.596 -5.074 2.370 266 H PHE 36 H PHE 36 -7.028 -1.026 5.878 267 HA PHE 36 HA PHE 36 -5.738 -1.737 8.406 268 HB2 PHE 36 HB2 PHE 36 -3.779 -0.213 7.666 269 HB3 PHE 36 HB3 PHE 36 -3.828 -1.869 7.082 270 HD1 PHE 36 HD1 PHE 36 -4.514 1.647 6.149 271 HD2 PHE 36 HD2 PHE 36 -3.961 -2.352 4.809 272 HE1 PHE 36 HE1 PHE 36 -4.395 2.440 3.827 273 HE2 PHE 36 HE2 PHE 36 -3.837 -1.566 2.499 274 HZ PHE 36 HZ PHE 36 -4.060 0.838 1.998 275 HH31 ALY 37 HH31 ALY 37 -11.440 -0.808 7.904 276 HH32 ALY 37 HH32 ALY 37 -12.125 -0.778 9.542 277 HH33 ALY 37 HH33 ALY 37 -12.477 -2.123 8.438 278 HZ ALY 37 HZ ALY 37 -9.193 -0.674 9.105 279 HE3 ALY 37 HE3 ALY 37 -9.541 -1.354 11.778 280 HE2 ALY 37 HE2 ALY 37 -8.510 -2.585 11.054 281 HD3 ALY 37 HD3 ALY 37 -7.144 -0.858 12.058 282 HD2 ALY 37 HD2 ALY 37 -6.964 -0.824 10.304 283 HG3 ALY 37 HG3 ALY 37 -8.612 1.034 10.211 284 HG2 ALY 37 HG2 ALY 37 -8.668 1.027 11.973 285 HB3 ALY 37 HB3 ALY 37 -7.153 2.724 11.521 286 HB2 ALY 37 HB2 ALY 37 -6.120 1.345 11.850 287 HCA ALY 37 HCA ALY 37 -6.799 2.468 9.115 288 H ALY 37 H ALY 37 -5.055 0.168 9.646 289 H VAL 38 H VAL 38 -5.303 3.835 8.317 290 HA VAL 38 HA VAL 38 -2.827 4.219 9.855 291 HB VAL 38 HB VAL 38 -1.890 5.291 7.847 292 HG11 VAL 38 HG11 VAL 38 -1.660 3.290 6.470 293 HG12 VAL 38 HG12 VAL 38 -3.033 2.559 7.303 294 HG13 VAL 38 HG13 VAL 38 -1.551 2.907 8.189 295 HG21 VAL 38 HG21 VAL 38 -3.071 5.168 5.701 296 HG22 VAL 38 HG22 VAL 38 -3.947 6.158 6.867 297 HG23 VAL 38 HG23 VAL 38 -4.489 4.515 6.525 298 H LYS 39 H LYS 39 -2.076 6.673 9.147 299 HA LYS 39 HA LYS 39 -4.134 8.291 10.480 300 HB2 LYS 39 HB2 LYS 39 -1.751 8.176 11.384 301 HB3 LYS 39 HB3 LYS 39 -1.268 9.097 9.967 302 HG2 LYS 39 HG2 LYS 39 -2.901 10.869 10.678 303 HG3 LYS 39 HG3 LYS 39 -3.114 9.972 12.180 304 HD2 LYS 39 HD2 LYS 39 -0.516 11.120 11.149 305 HD3 LYS 39 HD3 LYS 39 -1.509 11.783 12.451 306 HE2 LYS 39 HE2 LYS 39 -1.113 9.824 13.804 307 HE3 LYS 39 HE3 LYS 39 -0.236 9.051 12.485 308 HZ1 LYS 39 HZ1 LYS 39 1.262 9.987 14.126 309 HZ2 LYS 39 HZ2 LYS 39 0.632 11.537 13.898 310 HZ3 LYS 39 HZ3 LYS 39 1.454 10.760 12.646 311 H MET 40 H MET 40 -4.643 10.431 9.639 312 HA MET 40 HA MET 40 -5.150 10.629 6.929 313 HB2 MET 40 HB2 MET 40 -6.124 12.109 8.667 314 HB3 MET 40 HB3 MET 40 -4.575 12.919 8.818 315 HG2 MET 40 HG2 MET 40 -5.982 14.307 7.500 316 HG3 MET 40 HG3 MET 40 -4.780 13.604 6.422 317 HE1 MET 40 HE1 MET 40 -6.742 11.572 3.920 318 HE2 MET 40 HE2 MET 40 -5.454 11.182 5.057 319 HE3 MET 40 HE3 MET 40 -5.412 12.703 4.170 320 H THR 41 H THR 41 -2.305 11.603 8.716 321 HA THR 41 HA THR 41 -0.936 11.834 6.142 322 HB THR 41 HB THR 41 0.521 13.559 7.165 323 HG1 THR 41 HG1 THR 41 0.226 14.179 9.212 324 HG21 THR 41 HG21 THR 41 -1.451 14.198 5.849 325 HG22 THR 41 HG22 THR 41 -1.151 15.360 7.147 326 HG23 THR 41 HG23 THR 41 -2.436 14.156 7.308 327 H THR 42 H THR 42 0.465 10.243 5.923 328 HA THR 42 HA THR 42 2.497 9.655 7.758 329 HB THR 42 HB THR 42 0.551 8.520 8.926 330 HG1 THR 42 HG1 THR 42 1.976 7.141 9.625 331 HG21 THR 42 HG21 THR 42 0.654 6.720 6.499 332 HG22 THR 42 HG22 THR 42 -0.689 7.766 6.965 333 HG23 THR 42 HG23 THR 42 -0.250 6.389 7.977 334 H HIS 43 H HIS 43 3.573 7.451 6.969 335 HA HIS 43 HA HIS 43 3.646 7.659 4.056 336 HB2 HIS 43 HB2 HIS 43 5.505 6.343 6.034 337 HB3 HIS 43 HB3 HIS 43 5.673 6.143 4.294 338 HD1 HIS 43 HD1 HIS 43 7.500 7.748 6.590 339 HD2 HIS 43 HD2 HIS 43 5.333 9.272 3.383 340 HE1 HIS 43 HE1 HIS 43 8.551 9.963 6.050 341 HE2 HIS 43 HE2 HIS 43 7.108 10.941 4.232 342 H LEU 44 H LEU 44 2.936 6.119 2.731 343 HA LEU 44 HA LEU 44 1.206 4.124 3.782 344 HB2 LEU 44 HB2 LEU 44 2.197 4.499 0.964 345 HB3 LEU 44 HB3 LEU 44 0.918 3.404 1.445 346 HG LEU 44 HG LEU 44 0.880 6.408 1.520 347 HD11 LEU 44 HD11 LEU 44 0.442 5.504 -0.646 348 HD12 LEU 44 HD12 LEU 44 -1.073 6.093 0.040 349 HD13 LEU 44 HD13 LEU 44 -0.728 4.364 0.014 350 HD21 LEU 44 HD21 LEU 44 -0.202 5.627 3.541 351 HD22 LEU 44 HD22 LEU 44 -1.160 4.472 2.615 352 HD23 LEU 44 HD23 LEU 44 -1.420 6.202 2.402 353 H LYS 45 H LYS 45 4.527 4.088 3.441 354 HA LYS 45 HA LYS 45 5.111 1.525 2.547 355 HB2 LYS 45 HB2 LYS 45 6.721 3.429 3.066 356 HB3 LYS 45 HB3 LYS 45 6.596 2.959 4.752 357 HG2 LYS 45 HG2 LYS 45 7.340 0.878 2.773 358 HG3 LYS 45 HG3 LYS 45 8.546 2.094 3.188 359 HD2 LYS 45 HD2 LYS 45 7.078 0.363 5.181 360 HD3 LYS 45 HD3 LYS 45 8.688 0.014 4.553 361 HE2 LYS 45 HE2 LYS 45 9.457 2.193 5.453 362 HE3 LYS 45 HE3 LYS 45 7.862 2.429 6.163 363 HZ1 LYS 45 HZ1 LYS 45 8.216 0.324 7.399 364 HZ2 LYS 45 HZ2 LYS 45 9.290 1.564 7.826 365 HZ3 LYS 45 HZ3 LYS 45 9.816 0.303 6.833 366 H LYS 46 H LYS 46 3.886 2.635 5.632 367 HA LYS 46 HA LYS 46 4.381 0.444 7.234 368 HB2 LYS 46 HB2 LYS 46 3.583 2.471 8.191 369 HB3 LYS 46 HB3 LYS 46 2.155 2.476 7.169 370 HG2 LYS 46 HG2 LYS 46 2.541 0.215 9.027 371 HG3 LYS 46 HG3 LYS 46 2.052 1.775 9.702 372 HD2 LYS 46 HD2 LYS 46 0.143 1.792 8.118 373 HD3 LYS 46 HD3 LYS 46 0.632 0.197 7.550 374 HE2 LYS 46 HE2 LYS 46 -0.214 0.915 10.345 375 HE3 LYS 46 HE3 LYS 46 -1.181 0.043 9.159 376 HZ1 LYS 46 HZ1 LYS 46 0.521 -1.727 9.187 377 HZ2 LYS 46 HZ2 LYS 46 -0.193 -1.495 10.703 378 HZ3 LYS 46 HZ3 LYS 46 1.349 -0.888 10.402 379 H LEU 47 H LEU 47 1.611 1.085 5.080 380 HA LEU 47 HA LEU 47 0.271 -1.332 5.769 381 HB2 LEU 47 HB2 LEU 47 -1.352 -0.755 4.184 382 HB3 LEU 47 HB3 LEU 47 -0.801 0.769 4.840 383 HG LEU 47 HG LEU 47 0.802 0.570 2.671 384 HD11 LEU 47 HD11 LEU 47 -1.806 -0.718 1.884 385 HD12 LEU 47 HD12 LEU 47 -0.220 -1.489 1.886 386 HD13 LEU 47 HD13 LEU 47 -0.555 -0.162 0.773 387 HD21 LEU 47 HD21 LEU 47 -0.786 2.108 1.586 388 HD22 LEU 47 HD22 LEU 47 -0.454 2.506 3.270 389 HD23 LEU 47 HD23 LEU 47 -1.972 1.716 2.836 390 H LYS 48 H LYS 48 2.684 -0.430 3.440 391 HA LYS 48 HA LYS 48 2.458 -2.622 1.680 392 HB2 LYS 48 HB2 LYS 48 4.691 -0.769 2.440 393 HB3 LYS 48 HB3 LYS 48 5.077 -2.211 1.519 394 HG2 LYS 48 HG2 LYS 48 4.747 -0.141 0.154 395 HG3 LYS 48 HG3 LYS 48 3.730 -1.502 -0.315 396 HD2 LYS 48 HD2 LYS 48 1.839 -0.534 0.826 397 HD3 LYS 48 HD3 LYS 48 2.846 0.764 1.464 398 HE2 LYS 48 HE2 LYS 48 3.147 1.700 -0.696 399 HE3 LYS 48 HE3 LYS 48 2.444 0.283 -1.477 400 HZ1 LYS 48 HZ1 LYS 48 0.317 0.827 -0.523 401 HZ2 LYS 48 HZ2 LYS 48 0.897 2.164 -1.379 402 HZ3 LYS 48 HZ3 LYS 48 0.973 2.140 0.313 403 H GLU 49 H GLU 49 4.569 -2.168 4.536 404 HA GLU 49 HA GLU 49 5.553 -4.731 4.746 405 HB2 GLU 49 HB2 GLU 49 4.774 -2.897 7.007 406 HB3 GLU 49 HB3 GLU 49 5.919 -4.227 7.087 407 HG2 GLU 49 HG2 GLU 49 7.299 -3.060 5.435 408 HG3 GLU 49 HG3 GLU 49 6.202 -1.688 5.525 409 H SER 50 H SER 50 2.696 -3.340 6.308 410 HA SER 50 HA SER 50 1.840 -5.576 7.690 411 HB2 SER 50 HB2 SER 50 0.111 -3.439 6.424 412 HB3 SER 50 HB3 SER 50 -0.375 -4.523 7.727 413 HG SER 50 HG SER 50 1.903 -3.385 8.459 414 H TYR 51 H TYR 51 1.441 -4.819 4.285 415 HA TYR 51 HA TYR 51 -0.518 -6.852 3.794 416 HB2 TYR 51 HB2 TYR 51 -0.017 -4.803 2.321 417 HB3 TYR 51 HB3 TYR 51 1.371 -5.703 1.729 418 HD1 TYR 51 HD1 TYR 51 0.596 -8.290 1.067 419 HD2 TYR 51 HD2 TYR 51 -1.827 -4.807 0.897 420 HE1 TYR 51 HE1 TYR 51 -0.842 -9.369 -0.627 421 HE2 TYR 51 HE2 TYR 51 -3.253 -5.880 -0.807 422 HH TYR 51 HH TYR 51 -3.095 -9.194 -1.505 423 H CYS 52 H CYS 52 2.985 -6.621 3.247 424 HA CYS 52 HA CYS 52 3.305 -9.248 2.263 425 HB2 CYS 52 HB2 CYS 52 4.954 -7.424 1.948 426 HB3 CYS 52 HB3 CYS 52 5.357 -7.506 3.656 427 HG CYS 52 HG CYS 52 5.860 -9.983 1.357 428 H GLN 53 H GLN 53 3.334 -7.916 5.498 429 HA GLN 53 HA GLN 53 4.332 -10.258 6.781 430 HB2 GLN 53 HB2 GLN 53 2.825 -7.885 7.881 431 HB3 GLN 53 HB3 GLN 53 3.547 -9.145 8.871 432 HG2 GLN 53 HG2 GLN 53 5.164 -7.572 6.909 433 HG3 GLN 53 HG3 GLN 53 4.856 -6.969 8.538 434 HE21 GLN 53 HE21 GLN 53 5.815 -7.996 10.271 435 HE22 GLN 53 HE22 GLN 53 7.121 -9.115 10.088 436 H ARG 54 H ARG 54 1.131 -9.166 5.885 437 HA ARG 54 HA ARG 54 -0.110 -11.272 7.472 438 HB2 ARG 54 HB2 ARG 54 -1.271 -9.076 5.783 439 HB3 ARG 54 HB3 ARG 54 -2.253 -10.318 6.546 440 HG2 ARG 54 HG2 ARG 54 -0.434 -8.425 8.028 441 HG3 ARG 54 HG3 ARG 54 -2.169 -8.193 7.815 442 HD2 ARG 54 HD2 ARG 54 -1.779 -9.152 9.987 443 HD3 ARG 54 HD3 ARG 54 -2.549 -10.357 8.957 444 HE ARG 54 HE ARG 54 0.356 -10.439 9.148 445 HH11 ARG 54 HH11 ARG 54 -2.710 -11.772 10.208 446 HH12 ARG 54 HH12 ARG 54 -2.027 -13.270 10.723 447 HH21 ARG 54 HH21 ARG 54 1.264 -12.441 9.808 448 HH22 ARG 54 HH22 ARG 54 0.249 -13.650 10.502 449 H GLN 55 H GLN 55 0.083 -10.354 4.053 450 HA GLN 55 HA GLN 55 -1.249 -12.804 3.293 451 HB2 GLN 55 HB2 GLN 55 -0.274 -10.402 1.787 452 HB3 GLN 55 HB3 GLN 55 -0.679 -11.878 0.925 453 HG2 GLN 55 HG2 GLN 55 -2.569 -10.430 0.864 454 HG3 GLN 55 HG3 GLN 55 -2.947 -11.787 1.916 455 HE21 GLN 55 HE21 GLN 55 -0.965 -8.999 2.823 456 HE22 GLN 55 HE22 GLN 55 -2.085 -8.393 3.999 457 H GLY 56 H GLY 56 1.926 -11.835 3.890 458 HA2 GLY 56 HA2 GLY 56 3.952 -12.857 3.604 459 HA3 GLY 56 HA3 GLY 56 3.040 -14.354 3.474 460 H VAL 57 H VAL 57 3.101 -11.533 1.337 461 HA VAL 57 HA VAL 57 4.168 -13.261 -0.787 462 HB VAL 57 HB VAL 57 2.772 -11.853 -2.399 463 HG11 VAL 57 HG11 VAL 57 0.747 -13.195 -2.055 464 HG12 VAL 57 HG12 VAL 57 1.316 -13.634 -0.443 465 HG13 VAL 57 HG13 VAL 57 2.207 -14.166 -1.870 466 HG21 VAL 57 HG21 VAL 57 2.230 -10.045 -0.842 467 HG22 VAL 57 HG22 VAL 57 1.294 -11.170 0.141 468 HG23 VAL 57 HG23 VAL 57 0.769 -10.786 -1.500 469 HA PRO 58 HA PRO 58 7.287 -10.245 -1.440 470 HB2 PRO 58 HB2 PRO 58 7.551 -10.284 -4.156 471 HB3 PRO 58 HB3 PRO 58 8.174 -11.552 -3.095 472 HG2 PRO 58 HG2 PRO 58 5.642 -11.485 -4.690 473 HG3 PRO 58 HG3 PRO 58 6.794 -12.815 -4.481 474 HD2 PRO 58 HD2 PRO 58 4.489 -12.717 -3.117 475 HD3 PRO 58 HD3 PRO 58 5.974 -13.367 -2.394 476 H MET 59 H MET 59 6.507 -8.249 -0.886 477 HA MET 59 HA MET 59 4.571 -6.848 -2.401 478 HB2 MET 59 HB2 MET 59 6.001 -6.460 0.086 479 HB3 MET 59 HB3 MET 59 5.815 -4.958 -0.805 480 HG2 MET 59 HG2 MET 59 3.995 -5.360 0.822 481 HG3 MET 59 HG3 MET 59 3.416 -5.203 -0.829 482 HE1 MET 59 HE1 MET 59 2.012 -6.652 -1.951 483 HE2 MET 59 HE2 MET 59 1.546 -8.292 -1.529 484 HE3 MET 59 HE3 MET 59 3.109 -7.999 -2.288 485 H ASN 60 H ASN 60 7.830 -7.272 -3.039 486 HA ASN 60 HA ASN 60 8.131 -4.642 -4.281 487 HB2 ASN 60 HB2 ASN 60 10.102 -6.931 -4.345 488 HB3 ASN 60 HB3 ASN 60 10.413 -5.256 -4.774 489 HD21 ASN 60 HD21 ASN 60 8.662 -4.551 -2.365 490 HD22 ASN 60 HD22 ASN 60 9.724 -4.765 -1.023 491 H SER 61 H SER 61 7.612 -7.963 -5.171 492 HA SER 61 HA SER 61 8.082 -7.863 -7.909 493 HB2 SER 61 HB2 SER 61 6.061 -9.484 -6.362 494 HB3 SER 61 HB3 SER 61 6.478 -9.772 -8.052 495 HG SER 61 HG SER 61 8.487 -10.373 -7.477 496 H LEU 62 H LEU 62 5.444 -6.534 -6.119 497 HA LEU 62 HA LEU 62 4.245 -5.700 -8.641 498 HB2 LEU 62 HB2 LEU 62 2.052 -5.584 -7.255 499 HB3 LEU 62 HB3 LEU 62 2.585 -7.099 -7.932 500 HG LEU 62 HG LEU 62 1.602 -7.182 -5.627 501 HD11 LEU 62 HD11 LEU 62 3.136 -8.862 -4.824 502 HD12 LEU 62 HD12 LEU 62 4.368 -8.291 -5.947 503 HD13 LEU 62 HD13 LEU 62 2.881 -9.010 -6.563 504 HD21 LEU 62 HD21 LEU 62 3.051 -6.641 -3.742 505 HD22 LEU 62 HD22 LEU 62 2.644 -5.207 -4.677 506 HD23 LEU 62 HD23 LEU 62 4.237 -5.945 -4.843 507 H ARG 63 H ARG 63 2.779 -3.722 -8.278 508 HA ARG 63 HA ARG 63 4.112 -1.927 -6.372 509 HB2 ARG 63 HB2 ARG 63 3.905 -0.074 -7.964 510 HB3 ARG 63 HB3 ARG 63 4.908 -1.363 -8.602 511 HG2 ARG 63 HG2 ARG 63 2.010 -1.262 -9.308 512 HG3 ARG 63 HG3 ARG 63 3.150 -0.187 -10.117 513 HD2 ARG 63 HD2 ARG 63 4.500 -2.156 -10.752 514 HD3 ARG 63 HD3 ARG 63 3.291 -3.192 -9.989 515 HE ARG 63 HE ARG 63 1.989 -2.974 -11.840 516 HH11 ARG 63 HH11 ARG 63 4.332 -0.361 -11.868 517 HH12 ARG 63 HH12 ARG 63 3.898 0.178 -13.448 518 HH21 ARG 63 HH21 ARG 63 1.409 -2.252 -13.928 519 HH22 ARG 63 HH22 ARG 63 2.217 -0.891 -14.623 520 H PHE 64 H PHE 64 2.812 0.058 -5.922 521 HA PHE 64 HA PHE 64 0.009 -0.745 -5.598 522 HB2 PHE 64 HB2 PHE 64 1.791 0.934 -3.824 523 HB3 PHE 64 HB3 PHE 64 0.049 0.832 -3.616 524 HD1 PHE 64 HD1 PHE 64 3.049 -1.388 -3.866 525 HD2 PHE 64 HD2 PHE 64 -0.799 -0.738 -2.162 526 HE1 PHE 64 HE1 PHE 64 3.342 -3.380 -2.454 527 HE2 PHE 64 HE2 PHE 64 -0.512 -2.733 -0.751 528 HZ PHE 64 HZ PHE 64 1.558 -4.055 -0.894 529 H LEU 65 H LEU 65 -1.238 0.306 -6.932 530 HA LEU 65 HA LEU 65 -0.631 3.134 -7.549 531 HB2 LEU 65 HB2 LEU 65 -2.090 1.215 -9.341 532 HB3 LEU 65 HB3 LEU 65 -1.579 2.840 -9.727 533 HG LEU 65 HG LEU 65 0.237 0.464 -9.307 534 HD11 LEU 65 HD11 LEU 65 0.762 0.755 -11.673 535 HD12 LEU 65 HD12 LEU 65 -0.427 2.052 -11.778 536 HD13 LEU 65 HD13 LEU 65 -0.947 0.404 -11.426 537 HD21 LEU 65 HD21 LEU 65 1.277 2.504 -8.480 538 HD22 LEU 65 HD22 LEU 65 0.913 3.318 -10.003 539 HD23 LEU 65 HD23 LEU 65 2.046 1.967 -9.974 540 H PHE 66 H PHE 66 -2.162 4.556 -7.281 541 HA PHE 66 HA PHE 66 -4.814 3.605 -6.426 542 HB2 PHE 66 HB2 PHE 66 -3.843 4.836 -4.628 543 HB3 PHE 66 HB3 PHE 66 -3.275 6.101 -5.699 544 HD1 PHE 66 HD1 PHE 66 -6.635 4.520 -5.441 545 HD2 PHE 66 HD2 PHE 66 -4.297 8.040 -4.973 546 HE1 PHE 66 HE1 PHE 66 -8.673 5.807 -5.015 547 HE2 PHE 66 HE2 PHE 66 -6.336 9.340 -4.534 548 HZ PHE 66 HZ PHE 66 -8.532 8.224 -4.555 549 H GLU 67 H GLU 67 -6.055 3.623 -8.173 550 HA GLU 67 HA GLU 67 -7.030 4.234 -10.124 551 HB2 GLU 67 HB2 GLU 67 -8.187 6.352 -10.065 552 HB3 GLU 67 HB3 GLU 67 -8.145 5.695 -8.444 553 HG2 GLU 67 HG2 GLU 67 -6.581 7.275 -7.713 554 HG3 GLU 67 HG3 GLU 67 -6.139 7.718 -9.358 555 H GLY 68 H GLY 68 -4.115 4.316 -10.210 556 HA2 GLY 68 HA2 GLY 68 -2.882 4.713 -12.247 557 HA3 GLY 68 HA3 GLY 68 -3.812 6.187 -12.468 558 H GLN 69 H GLN 69 -3.035 6.115 -9.275 559 HA GLN 69 HA GLN 69 -0.857 8.007 -9.623 560 HB2 GLN 69 HB2 GLN 69 -2.431 7.082 -7.220 561 HB3 GLN 69 HB3 GLN 69 -1.071 8.182 -7.079 562 HG2 GLN 69 HG2 GLN 69 -3.549 8.709 -8.713 563 HG3 GLN 69 HG3 GLN 69 -3.303 9.268 -7.060 564 HE21 GLN 69 HE21 GLN 69 -0.469 9.818 -7.477 565 HE22 GLN 69 HE22 GLN 69 -0.395 11.253 -8.426 566 H ARG 70 H ARG 70 1.224 7.702 -8.840 567 HA ARG 70 HA ARG 70 1.966 4.910 -8.499 568 HB2 ARG 70 HB2 ARG 70 3.183 6.146 -10.196 569 HB3 ARG 70 HB3 ARG 70 3.627 7.379 -9.026 570 HG2 ARG 70 HG2 ARG 70 5.489 5.898 -9.498 571 HG3 ARG 70 HG3 ARG 70 4.979 5.756 -7.815 572 HD2 ARG 70 HD2 ARG 70 3.737 3.719 -8.368 573 HD3 ARG 70 HD3 ARG 70 4.240 3.867 -10.051 574 HE ARG 70 HE ARG 70 6.550 3.562 -9.244 575 HH11 ARG 70 HH11 ARG 70 3.913 2.447 -7.206 576 HH12 ARG 70 HH12 ARG 70 4.883 1.264 -6.396 577 HH21 ARG 70 HH21 ARG 70 7.814 1.972 -8.174 578 HH22 ARG 70 HH22 ARG 70 7.093 0.995 -6.942 579 H ILE 71 H ILE 71 2.103 4.152 -6.496 580 HA ILE 71 HA ILE 71 3.046 5.973 -4.390 581 HB ILE 71 HB ILE 71 1.250 3.544 -4.130 582 HG12 ILE 71 HG12 ILE 71 -0.254 5.321 -3.002 583 HG13 ILE 71 HG13 ILE 71 0.782 6.502 -3.793 584 HG21 ILE 71 HG21 ILE 71 2.850 3.648 -2.284 585 HG22 ILE 71 HG22 ILE 71 1.209 3.977 -1.733 586 HG23 ILE 71 HG23 ILE 71 2.352 5.306 -1.942 587 HD11 ILE 71 HD11 ILE 71 0.180 5.566 -5.964 588 HD12 ILE 71 HD12 ILE 71 -1.238 6.103 -5.068 589 HD13 ILE 71 HD13 ILE 71 -0.856 4.384 -5.166 590 H ALA 72 H ALA 72 5.225 5.575 -4.447 591 HA ALA 72 HA ALA 72 6.067 2.780 -4.304 592 HB1 ALA 72 HB1 ALA 72 8.289 3.571 -4.895 593 HB2 ALA 72 HB2 ALA 72 7.729 5.243 -4.831 594 HB3 ALA 72 HB3 ALA 72 7.099 4.148 -6.061 595 H ASP 73 H ASP 73 5.300 2.667 -2.133 596 HA ASP 73 HA ASP 73 5.414 2.730 0.144 597 HB2 ASP 73 HB2 ASP 73 7.494 1.883 1.044 598 HB3 ASP 73 HB3 ASP 73 7.103 1.074 -0.466 599 H ASN 74 H ASN 74 5.589 5.490 -0.885 600 HA ASN 74 HA ASN 74 6.687 6.643 1.540 601 HB2 ASN 74 HB2 ASN 74 8.131 8.225 0.501 602 HB3 ASN 74 HB3 ASN 74 8.567 6.630 -0.093 603 HD21 ASN 74 HD21 ASN 74 9.007 9.267 -1.207 604 HD22 ASN 74 HD22 ASN 74 8.299 9.232 -2.778 605 H HIS 75 H HIS 75 4.656 6.888 -1.239 606 HA HIS 75 HA HIS 75 3.788 9.521 -1.008 607 HB2 HIS 75 HB2 HIS 75 3.157 7.312 -2.595 608 HB3 HIS 75 HB3 HIS 75 1.648 7.736 -1.797 609 HD1 HIS 75 HD1 HIS 75 3.276 8.365 -4.821 610 HD2 HIS 75 HD2 HIS 75 1.384 10.817 -2.051 611 HE1 HIS 75 HE1 HIS 75 2.676 10.447 -6.070 612 HE2 HIS 75 HE2 HIS 75 1.371 11.833 -4.432 613 H THR 76 H THR 76 1.916 10.407 -0.090 614 HA THR 76 HA THR 76 1.027 9.020 2.347 615 HB THR 76 HB THR 76 0.524 11.252 3.261 616 HG1 THR 76 HG1 THR 76 1.875 12.413 1.071 617 HG21 THR 76 HG21 THR 76 3.325 11.021 2.156 618 HG22 THR 76 HG22 THR 76 2.741 10.309 3.660 619 HG23 THR 76 HG23 THR 76 2.831 12.064 3.491 620 HA PRO 77 HA PRO 77 -3.137 8.887 0.906 621 HB2 PRO 77 HB2 PRO 77 -4.500 9.482 3.242 622 HB3 PRO 77 HB3 PRO 77 -3.841 7.893 2.854 623 HG2 PRO 77 HG2 PRO 77 -2.726 10.037 4.594 624 HG3 PRO 77 HG3 PRO 77 -2.695 8.280 4.815 625 HD2 PRO 77 HD2 PRO 77 -0.549 9.681 3.961 626 HD3 PRO 77 HD3 PRO 77 -0.868 8.017 3.435 627 H LYS 78 H LYS 78 -2.010 11.734 2.582 628 HA LYS 78 HA LYS 78 -4.325 13.324 1.932 629 HB2 LYS 78 HB2 LYS 78 -3.075 15.200 2.897 630 HB3 LYS 78 HB3 LYS 78 -3.023 13.805 3.957 631 HG2 LYS 78 HG2 LYS 78 -0.787 13.425 3.584 632 HG3 LYS 78 HG3 LYS 78 -0.798 14.252 2.026 633 HD2 LYS 78 HD2 LYS 78 -0.981 16.393 3.112 634 HD3 LYS 78 HD3 LYS 78 -1.137 15.629 4.690 635 HE2 LYS 78 HE2 LYS 78 1.119 14.685 4.432 636 HE3 LYS 78 HE3 LYS 78 1.264 15.500 2.876 637 HZ1 LYS 78 HZ1 LYS 78 2.339 16.746 4.643 638 HZ2 LYS 78 HZ2 LYS 78 0.887 16.846 5.497 639 HZ3 LYS 78 HZ3 LYS 78 1.044 17.623 4.005 640 H GLU 79 H GLU 79 -1.162 12.723 0.589 641 HA GLU 79 HA GLU 79 -1.243 14.935 -1.231 642 HB2 GLU 79 HB2 GLU 79 0.854 13.985 -0.339 643 HB3 GLU 79 HB3 GLU 79 0.519 12.491 -1.196 644 HG2 GLU 79 HG2 GLU 79 2.127 13.790 -2.430 645 HG3 GLU 79 HG3 GLU 79 0.606 13.724 -3.324 646 H LEU 80 H LEU 80 -2.165 11.607 -1.205 647 HA LEU 80 HA LEU 80 -2.441 11.362 -4.044 648 HB2 LEU 80 HB2 LEU 80 -3.456 9.695 -1.768 649 HB3 LEU 80 HB3 LEU 80 -3.614 9.262 -3.459 650 HG LEU 80 HG LEU 80 -0.938 9.757 -2.188 651 HD11 LEU 80 HD11 LEU 80 -2.116 8.029 -0.950 652 HD12 LEU 80 HD12 LEU 80 -0.752 7.380 -1.869 653 HD13 LEU 80 HD13 LEU 80 -2.406 7.149 -2.455 654 HD21 LEU 80 HD21 LEU 80 -1.059 9.814 -4.635 655 HD22 LEU 80 HD22 LEU 80 -1.810 8.219 -4.635 656 HD23 LEU 80 HD23 LEU 80 -0.154 8.415 -4.062 657 H GLY 81 H GLY 81 -4.317 12.824 -1.621 658 HA2 GLY 81 HA2 GLY 81 -6.336 13.920 -1.864 659 HA3 GLY 81 HA3 GLY 81 -6.393 13.352 -3.526 660 H MET 82 H MET 82 -5.955 11.021 -0.948 661 HA MET 82 HA MET 82 -8.605 10.012 -1.684 662 HB2 MET 82 HB2 MET 82 -7.855 7.788 -1.199 663 HB3 MET 82 HB3 MET 82 -6.694 8.536 -2.279 664 HG2 MET 82 HG2 MET 82 -5.253 8.984 -0.312 665 HG3 MET 82 HG3 MET 82 -6.391 8.061 0.671 666 HE1 MET 82 HE1 MET 82 -3.806 5.277 0.577 667 HE2 MET 82 HE2 MET 82 -4.975 6.212 1.513 668 HE3 MET 82 HE3 MET 82 -3.521 6.990 0.885 669 H GLU 83 H GLU 83 -9.563 8.585 0.165 670 HA GLU 83 HA GLU 83 -9.147 9.962 2.733 671 HB2 GLU 83 HB2 GLU 83 -11.124 10.807 1.138 672 HB3 GLU 83 HB3 GLU 83 -11.958 9.452 1.879 673 HG2 GLU 83 HG2 GLU 83 -11.399 10.441 4.119 674 HG3 GLU 83 HG3 GLU 83 -10.764 11.840 3.265 675 H GLU 84 H GLU 84 -11.403 8.734 3.997 676 HA GLU 84 HA GLU 84 -10.304 6.151 4.500 677 HB2 GLU 84 HB2 GLU 84 -12.238 5.953 6.090 678 HB3 GLU 84 HB3 GLU 84 -11.173 7.310 6.388 679 HG2 GLU 84 HG2 GLU 84 -12.842 8.711 5.079 680 HG3 GLU 84 HG3 GLU 84 -13.929 7.327 5.207 681 H GLU 85 H GLU 85 -11.563 4.154 4.436 682 HA GLU 85 HA GLU 85 -12.572 2.548 3.286 683 HB2 GLU 85 HB2 GLU 85 -14.549 4.087 4.017 684 HB3 GLU 85 HB3 GLU 85 -14.621 4.516 2.314 685 HG2 GLU 85 HG2 GLU 85 -14.951 2.165 1.737 686 HG3 GLU 85 HG3 GLU 85 -14.874 1.739 3.445 687 H ASP 86 H ASP 86 -10.560 4.306 1.973 688 HA ASP 86 HA ASP 86 -11.393 4.448 -0.783 689 HB2 ASP 86 HB2 ASP 86 -9.569 5.806 0.759 690 HB3 ASP 86 HB3 ASP 86 -8.553 4.760 -0.226 691 H VAL 87 H VAL 87 -10.021 3.458 -2.490 692 HA VAL 87 HA VAL 87 -9.012 0.852 -1.603 693 HB VAL 87 HB VAL 87 -11.156 0.526 -2.696 694 HG11 VAL 87 HG11 VAL 87 -9.952 1.942 -5.066 695 HG12 VAL 87 HG12 VAL 87 -11.261 2.534 -4.042 696 HG13 VAL 87 HG13 VAL 87 -11.506 1.109 -5.053 697 HG21 VAL 87 HG21 VAL 87 -8.839 -0.339 -4.426 698 HG22 VAL 87 HG22 VAL 87 -10.465 -1.009 -4.511 699 HG23 VAL 87 HG23 VAL 87 -9.505 -1.208 -3.045 700 H ILE 88 H ILE 88 -7.228 0.074 -2.523 701 HA ILE 88 HA ILE 88 -5.801 1.780 -4.473 702 HB ILE 88 HB ILE 88 -4.437 0.150 -2.316 703 HG12 ILE 88 HG12 ILE 88 -5.697 2.053 -1.317 704 HG13 ILE 88 HG13 ILE 88 -3.956 2.226 -1.137 705 HG21 ILE 88 HG21 ILE 88 -3.143 0.480 -4.345 706 HG22 ILE 88 HG22 ILE 88 -2.428 1.346 -2.981 707 HG23 ILE 88 HG23 ILE 88 -3.351 2.226 -4.203 708 HD11 ILE 88 HD11 ILE 88 -5.653 3.612 -3.199 709 HD12 ILE 88 HD12 ILE 88 -3.913 3.809 -2.968 710 HD13 ILE 88 HD13 ILE 88 -5.033 4.332 -1.712 711 H GLU 89 H GLU 89 -4.622 0.639 -6.067 712 HA GLU 89 HA GLU 89 -5.397 -2.189 -6.260 713 HB2 GLU 89 HB2 GLU 89 -4.691 -0.423 -8.579 714 HB3 GLU 89 HB3 GLU 89 -5.612 -1.923 -8.585 715 HG2 GLU 89 HG2 GLU 89 -7.375 -0.726 -7.266 716 HG3 GLU 89 HG3 GLU 89 -6.471 0.752 -7.535 717 H VAL 90 H VAL 90 -3.831 -3.655 -6.368 718 HA VAL 90 HA VAL 90 -1.072 -2.705 -6.681 719 HB VAL 90 HB VAL 90 -2.068 -5.243 -5.371 720 HG11 VAL 90 HG11 VAL 90 0.108 -5.562 -6.387 721 HG12 VAL 90 HG12 VAL 90 0.242 -5.523 -4.628 722 HG13 VAL 90 HG13 VAL 90 0.711 -4.116 -5.581 723 HG21 VAL 90 HG21 VAL 90 -1.324 -4.206 -3.295 724 HG22 VAL 90 HG22 VAL 90 -2.586 -3.249 -4.078 725 HG23 VAL 90 HG23 VAL 90 -0.896 -2.746 -4.185 726 H TYR 91 H TYR 91 -0.227 -3.045 -8.581 727 HA TYR 91 HA TYR 91 -1.237 -5.259 -10.230 728 HB2 TYR 91 HB2 TYR 91 0.223 -2.737 -11.007 729 HB3 TYR 91 HB3 TYR 91 -0.246 -4.007 -12.128 730 HD1 TYR 91 HD1 TYR 91 -1.457 -1.307 -9.965 731 HD2 TYR 91 HD2 TYR 91 -2.536 -4.246 -12.837 732 HE1 TYR 91 HE1 TYR 91 -3.624 -0.215 -10.248 733 HE2 TYR 91 HE2 TYR 91 -4.725 -3.162 -13.130 734 HH TYR 91 HH TYR 91 -6.229 -1.684 -11.835 735 H GLN 92 H GLN 92 0.099 -6.794 -11.015 736 HA GLN 92 HA GLN 92 2.678 -7.063 -9.762 737 HB2 GLN 92 HB2 GLN 92 1.432 -9.060 -9.862 738 HB3 GLN 92 HB3 GLN 92 1.039 -8.831 -11.559 739 HG2 GLN 92 HG2 GLN 92 2.646 -10.615 -11.288 740 HG3 GLN 92 HG3 GLN 92 3.369 -9.260 -12.151 741 HE21 GLN 92 HE21 GLN 92 5.432 -9.861 -11.659 742 HE22 GLN 92 HE22 GLN 92 6.106 -9.716 -10.074 743 H GLU 93 H GLU 93 4.455 -6.271 -10.510 744 HA GLU 93 HA GLU 93 5.418 -6.671 -13.093 745 HB2 GLU 93 HB2 GLU 93 3.912 -4.934 -13.815 746 HB3 GLU 93 HB3 GLU 93 4.449 -3.852 -12.537 747 HG2 GLU 93 HG2 GLU 93 6.640 -3.703 -13.563 748 HG3 GLU 93 HG3 GLU 93 6.174 -4.879 -14.786 749 H GLN 94 H GLN 94 7.490 -6.782 -12.847 750 HA GLN 94 HA GLN 94 8.791 -6.383 -10.439 751 HB2 GLN 94 HB2 GLN 94 9.560 -7.863 -12.248 752 HB3 GLN 94 HB3 GLN 94 9.984 -6.460 -13.210 753 HG2 GLN 94 HG2 GLN 94 11.759 -5.891 -11.775 754 HG3 GLN 94 HG3 GLN 94 11.200 -7.005 -10.524 755 HE21 GLN 94 HE21 GLN 94 13.781 -6.819 -11.943 756 HE22 GLN 94 HE22 GLN 94 14.031 -8.385 -12.627 757 H THR 95 H THR 95 9.767 -4.681 -9.467 758 HA THR 95 HA THR 95 9.573 -2.105 -10.825 759 HB THR 95 HB THR 95 9.993 -1.278 -8.412 760 HG1 THR 95 HG1 THR 95 8.920 -3.766 -7.613 761 HG21 THR 95 HG21 THR 95 7.460 -2.791 -9.076 762 HG22 THR 95 HG22 THR 95 7.819 -1.128 -9.538 763 HG23 THR 95 HG23 THR 95 7.615 -1.546 -7.836 764 H GLY 96 H GLY 96 11.716 -4.351 -10.756 765 HA2 GLY 96 HA2 GLY 96 13.997 -2.505 -10.608 766 HA3 GLY 96 HA3 GLY 96 14.084 -4.049 -9.765 767 H GLY 97 H GLY 97 13.360 -2.716 -12.968 768 HA2 GLY 97 HA2 GLY 97 13.913 -5.226 -14.265 769 HA3 GLY 97 HA3 GLY 97 13.534 -3.703 -15.053 Start of MODEL 9 1 H MET 1 H MET 1 20.328 -11.433 30.217 2 HA MET 1 HA MET 1 18.598 -11.751 31.855 3 HB2 MET 1 HB2 MET 1 21.197 -10.520 32.727 4 HB3 MET 1 HB3 MET 1 20.022 -11.084 33.906 5 HG2 MET 1 HG2 MET 1 21.409 -12.718 31.803 6 HG3 MET 1 HG3 MET 1 21.653 -12.788 33.545 7 HE1 MET 1 HE1 MET 1 21.303 -15.454 33.483 8 HE2 MET 1 HE2 MET 1 21.097 -15.340 31.736 9 HE3 MET 1 HE3 MET 1 19.918 -16.222 32.707 10 H SER 2 H SER 2 20.020 -8.515 32.536 11 HA SER 2 HA SER 2 17.382 -7.808 33.623 12 HB2 SER 2 HB2 SER 2 20.067 -6.611 34.306 13 HB3 SER 2 HB3 SER 2 18.529 -6.257 35.092 14 HG SER 2 HG SER 2 18.506 -8.640 35.485 15 H ASP 3 H ASP 3 19.059 -7.319 30.876 16 HA ASP 3 HA ASP 3 18.438 -4.468 30.707 17 HB2 ASP 3 HB2 ASP 3 20.676 -5.181 29.968 18 HB3 ASP 3 HB3 ASP 3 19.936 -6.211 28.747 19 H GLN 4 H GLN 4 17.019 -3.626 29.281 20 HA GLN 4 HA GLN 4 15.096 -5.520 28.194 21 HB2 GLN 4 HB2 GLN 4 13.544 -3.706 27.954 22 HB3 GLN 4 HB3 GLN 4 14.276 -3.573 29.542 23 HG2 GLN 4 HG2 GLN 4 15.143 -1.991 27.148 24 HG3 GLN 4 HG3 GLN 4 13.959 -1.416 28.322 25 HE21 GLN 4 HE21 GLN 4 16.530 -0.292 27.595 26 HE22 GLN 4 HE22 GLN 4 17.468 -0.216 29.041 27 H GLU 5 H GLU 5 15.203 -6.154 26.216 28 HA GLU 5 HA GLU 5 16.423 -4.420 24.185 29 HB2 GLU 5 HB2 GLU 5 17.965 -6.235 24.855 30 HB3 GLU 5 HB3 GLU 5 16.744 -7.415 24.407 31 HG2 GLU 5 HG2 GLU 5 18.366 -7.278 22.661 32 HG3 GLU 5 HG3 GLU 5 16.854 -6.582 22.082 33 H ALA 6 H ALA 6 13.973 -6.791 24.995 34 HA ALA 6 HA ALA 6 12.999 -6.817 22.263 35 HB1 ALA 6 HB1 ALA 6 11.444 -8.526 23.044 36 HB2 ALA 6 HB2 ALA 6 11.992 -8.286 24.703 37 HB3 ALA 6 HB3 ALA 6 13.097 -8.942 23.496 38 H LYS 7 H LYS 7 12.486 -4.567 22.307 39 HA LYS 7 HA LYS 7 10.158 -3.888 23.940 40 HB2 LYS 7 HB2 LYS 7 10.683 -1.541 23.327 41 HB3 LYS 7 HB3 LYS 7 11.964 -2.337 24.227 42 HG2 LYS 7 HG2 LYS 7 13.164 -2.723 22.098 43 HG3 LYS 7 HG3 LYS 7 11.900 -1.819 21.260 44 HD2 LYS 7 HD2 LYS 7 13.680 -0.753 23.451 45 HD3 LYS 7 HD3 LYS 7 13.845 -0.410 21.728 46 HE2 LYS 7 HE2 LYS 7 11.670 0.669 21.711 47 HE3 LYS 7 HE3 LYS 7 11.431 0.263 23.408 48 HZ1 LYS 7 HZ1 LYS 7 13.350 1.637 23.957 49 HZ2 LYS 7 HZ2 LYS 7 12.152 2.533 23.178 50 HZ3 LYS 7 HZ3 LYS 7 13.530 2.059 22.330 51 HA PRO 8 HA PRO 8 7.342 -4.212 20.630 52 HB2 PRO 8 HB2 PRO 8 5.840 -1.916 21.115 53 HB3 PRO 8 HB3 PRO 8 5.573 -3.499 21.854 54 HG2 PRO 8 HG2 PRO 8 6.994 -1.110 22.931 55 HG3 PRO 8 HG3 PRO 8 5.986 -2.295 23.780 56 HD2 PRO 8 HD2 PRO 8 8.655 -2.327 23.964 57 HD3 PRO 8 HD3 PRO 8 7.711 -3.829 23.937 58 H SER 9 H SER 9 8.514 -0.912 21.121 59 HA SER 9 HA SER 9 9.041 0.778 19.670 60 HB2 SER 9 HB2 SER 9 9.654 -1.546 17.812 61 HB3 SER 9 HB3 SER 9 10.155 0.124 17.543 62 HG SER 9 HG SER 9 11.208 -1.785 19.221 63 H THR 10 H THR 10 6.476 0.314 19.955 64 HA THR 10 HA THR 10 4.932 -0.280 17.696 65 HB THR 10 HB THR 10 4.046 1.580 19.890 66 HG1 THR 10 HG1 THR 10 3.553 -0.362 21.042 67 HG21 THR 10 HG21 THR 10 2.510 1.187 17.986 68 HG22 THR 10 HG22 THR 10 1.878 0.522 19.493 69 HG23 THR 10 HG23 THR 10 2.602 -0.548 18.291 70 H GLU 11 H GLU 11 4.021 0.935 16.125 71 HA GLU 11 HA GLU 11 5.312 3.228 15.224 72 HB2 GLU 11 HB2 GLU 11 4.215 1.656 13.750 73 HB3 GLU 11 HB3 GLU 11 2.669 2.004 14.502 74 HG2 GLU 11 HG2 GLU 11 2.812 4.291 13.680 75 HG3 GLU 11 HG3 GLU 11 4.323 3.881 12.861 76 H ASP 12 H ASP 12 2.294 2.747 16.820 77 HA ASP 12 HA ASP 12 2.029 5.652 17.165 78 HB2 ASP 12 HB2 ASP 12 0.081 4.345 16.182 79 HB3 ASP 12 HB3 ASP 12 -0.093 3.600 17.770 80 H LEU 13 H LEU 13 1.610 6.473 19.224 81 HA LEU 13 HA LEU 13 2.910 4.903 21.276 82 HB2 LEU 13 HB2 LEU 13 2.302 7.329 22.422 83 HB3 LEU 13 HB3 LEU 13 3.826 6.849 21.714 84 HG LEU 13 HG LEU 13 3.004 7.802 19.528 85 HD11 LEU 13 HD11 LEU 13 0.640 7.825 19.925 86 HD12 LEU 13 HD12 LEU 13 1.199 9.481 19.691 87 HD13 LEU 13 HD13 LEU 13 0.845 8.888 21.313 88 HD21 LEU 13 HD21 LEU 13 3.477 10.113 20.177 89 HD22 LEU 13 HD22 LEU 13 4.594 8.981 20.936 90 HD23 LEU 13 HD23 LEU 13 3.271 9.675 21.874 91 H GLY 14 H GLY 14 -0.271 6.018 20.488 92 HA2 GLY 14 HA2 GLY 14 -2.263 5.300 21.371 93 HA3 GLY 14 HA3 GLY 14 -1.369 4.374 22.566 94 H ASP 15 H ASP 15 0.015 6.175 23.925 95 HA ASP 15 HA ASP 15 -1.850 7.261 25.716 96 HB2 ASP 15 HB2 ASP 15 0.379 6.668 26.441 97 HB3 ASP 15 HB3 ASP 15 1.085 7.877 25.372 98 H LYS 16 H LYS 16 0.065 8.823 23.199 99 HA LYS 16 HA LYS 16 -1.383 11.320 23.680 100 HB2 LYS 16 HB2 LYS 16 1.014 10.757 21.914 101 HB3 LYS 16 HB3 LYS 16 0.275 12.328 22.149 102 HG2 LYS 16 HG2 LYS 16 0.879 12.288 24.497 103 HG3 LYS 16 HG3 LYS 16 1.571 10.678 24.305 104 HD2 LYS 16 HD2 LYS 16 3.426 12.113 24.234 105 HD3 LYS 16 HD3 LYS 16 3.099 11.754 22.542 106 HE2 LYS 16 HE2 LYS 16 1.986 14.206 23.886 107 HE3 LYS 16 HE3 LYS 16 3.601 14.191 23.187 108 HZ1 LYS 16 HZ1 LYS 16 2.596 13.609 21.045 109 HZ2 LYS 16 HZ2 LYS 16 2.010 15.078 21.632 110 HZ3 LYS 16 HZ3 LYS 16 1.055 13.699 21.733 111 H LYS 17 H LYS 17 -2.828 12.121 22.193 112 HA LYS 17 HA LYS 17 -3.051 10.656 19.687 113 HB2 LYS 17 HB2 LYS 17 -4.853 10.287 21.546 114 HB3 LYS 17 HB3 LYS 17 -5.437 11.855 21.003 115 HG2 LYS 17 HG2 LYS 17 -6.672 10.486 19.687 116 HG3 LYS 17 HG3 LYS 17 -5.269 10.751 18.650 117 HD2 LYS 17 HD2 LYS 17 -5.609 8.392 20.494 118 HD3 LYS 17 HD3 LYS 17 -5.990 8.370 18.770 119 HE2 LYS 17 HE2 LYS 17 -3.609 8.900 18.303 120 HE3 LYS 17 HE3 LYS 17 -3.285 8.808 20.035 121 HZ1 LYS 17 HZ1 LYS 17 -2.718 6.739 18.867 122 HZ2 LYS 17 HZ2 LYS 17 -4.336 6.566 18.394 123 HZ3 LYS 17 HZ3 LYS 17 -3.927 6.503 20.025 124 H GLU 18 H GLU 18 -2.810 11.893 18.016 125 HA GLU 18 HA GLU 18 -2.954 14.800 18.423 126 HB2 GLU 18 HB2 GLU 18 -1.522 13.249 16.265 127 HB3 GLU 18 HB3 GLU 18 -1.476 14.993 16.485 128 HG2 GLU 18 HG2 GLU 18 -0.379 14.712 18.636 129 HG3 GLU 18 HG3 GLU 18 -0.459 12.960 18.459 130 H GLY 19 H GLY 19 -4.003 12.231 16.318 131 HA2 GLY 19 HA2 GLY 19 -6.190 13.918 15.388 132 HA3 GLY 19 HA3 GLY 19 -5.048 13.443 14.145 133 H GLU 20 H GLU 20 -7.078 12.601 13.262 134 HA GLU 20 HA GLU 20 -8.069 10.125 14.446 135 HB2 GLU 20 HB2 GLU 20 -8.960 11.642 11.995 136 HB3 GLU 20 HB3 GLU 20 -9.730 10.196 12.621 137 HG2 GLU 20 HG2 GLU 20 -10.350 11.382 14.641 138 HG3 GLU 20 HG3 GLU 20 -9.526 12.830 14.056 139 H TYR 21 H TYR 21 -8.133 8.188 13.229 140 HA TYR 21 HA TYR 21 -6.130 8.070 11.096 141 HB2 TYR 21 HB2 TYR 21 -7.028 5.793 12.876 142 HB3 TYR 21 HB3 TYR 21 -5.719 5.776 11.695 143 HD1 TYR 21 HD1 TYR 21 -4.639 8.576 12.488 144 HD2 TYR 21 HD2 TYR 21 -5.686 5.136 14.763 145 HE1 TYR 21 HE1 TYR 21 -3.083 9.273 14.240 146 HE2 TYR 21 HE2 TYR 21 -4.128 5.840 16.533 147 HH TYR 21 HH TYR 21 -1.961 7.338 16.613 148 H ILE 22 H ILE 22 -6.708 7.189 9.185 149 HA ILE 22 HA ILE 22 -9.552 6.563 8.939 150 HB ILE 22 HB ILE 22 -9.308 7.083 6.556 151 HG12 ILE 22 HG12 ILE 22 -6.741 8.476 6.923 152 HG13 ILE 22 HG13 ILE 22 -6.655 6.715 6.890 153 HG21 ILE 22 HG21 ILE 22 -9.120 9.518 6.786 154 HG22 ILE 22 HG22 ILE 22 -8.424 9.308 8.393 155 HG23 ILE 22 HG23 ILE 22 -10.088 8.812 8.080 156 HD11 ILE 22 HD11 ILE 22 -6.331 7.602 4.681 157 HD12 ILE 22 HD12 ILE 22 -7.858 8.486 4.784 158 HD13 ILE 22 HD13 ILE 22 -7.860 6.718 4.764 159 H LYS 23 H LYS 23 -10.174 4.818 7.782 160 HA LYS 23 HA LYS 23 -8.163 2.713 7.527 161 HB2 LYS 23 HB2 LYS 23 -10.129 1.202 7.456 162 HB3 LYS 23 HB3 LYS 23 -10.052 2.150 8.936 163 HG2 LYS 23 HG2 LYS 23 -11.743 3.650 8.126 164 HG3 LYS 23 HG3 LYS 23 -11.751 2.850 6.555 165 HD2 LYS 23 HD2 LYS 23 -12.495 0.772 7.673 166 HD3 LYS 23 HD3 LYS 23 -12.586 1.664 9.195 167 HE2 LYS 23 HE2 LYS 23 -14.042 2.472 6.707 168 HE3 LYS 23 HE3 LYS 23 -14.758 1.420 7.934 169 HZ1 LYS 23 HZ1 LYS 23 -14.313 3.277 9.549 170 HZ2 LYS 23 HZ2 LYS 23 -15.470 3.620 8.374 171 HZ3 LYS 23 HZ3 LYS 23 -13.920 4.266 8.226 172 H LEU 24 H LEU 24 -8.056 1.491 5.639 173 HA LEU 24 HA LEU 24 -9.678 2.273 3.382 174 HB2 LEU 24 HB2 LEU 24 -6.682 2.237 3.040 175 HB3 LEU 24 HB3 LEU 24 -7.895 2.728 1.891 176 HG LEU 24 HG LEU 24 -8.365 4.512 3.847 177 HD11 LEU 24 HD11 LEU 24 -6.294 5.319 4.746 178 HD12 LEU 24 HD12 LEU 24 -5.390 4.085 3.874 179 HD13 LEU 24 HD13 LEU 24 -6.486 3.616 5.177 180 HD21 LEU 24 HD21 LEU 24 -6.340 4.724 1.636 181 HD22 LEU 24 HD22 LEU 24 -7.081 6.084 2.482 182 HD23 LEU 24 HD23 LEU 24 -8.074 5.007 1.500 183 H LYS 25 H LYS 25 -8.644 0.872 1.393 184 HA LYS 25 HA LYS 25 -8.042 -1.805 2.330 185 HB2 LYS 25 HB2 LYS 25 -10.461 -1.777 2.441 186 HB3 LYS 25 HB3 LYS 25 -10.567 -1.092 0.837 187 HG2 LYS 25 HG2 LYS 25 -9.238 -3.736 1.145 188 HG3 LYS 25 HG3 LYS 25 -10.991 -3.659 1.310 189 HD2 LYS 25 HD2 LYS 25 -9.399 -2.675 -1.058 190 HD3 LYS 25 HD3 LYS 25 -10.300 -4.189 -0.985 191 HE2 LYS 25 HE2 LYS 25 -11.478 -1.437 -0.683 192 HE3 LYS 25 HE3 LYS 25 -11.533 -2.403 -2.155 193 HZ1 LYS 25 HZ1 LYS 25 -12.806 -3.051 0.450 194 HZ2 LYS 25 HZ2 LYS 25 -12.773 -4.092 -0.878 195 HZ3 LYS 25 HZ3 LYS 25 -13.592 -2.620 -0.983 196 H VAL 26 H VAL 26 -6.984 -3.019 0.800 197 HA VAL 26 HA VAL 26 -6.700 -1.853 -1.877 198 HB VAL 26 HB VAL 26 -4.324 -1.908 -1.926 199 HG11 VAL 26 HG11 VAL 26 -4.975 -0.871 0.812 200 HG12 VAL 26 HG12 VAL 26 -5.328 -0.004 -0.676 201 HG13 VAL 26 HG13 VAL 26 -3.651 -0.359 -0.236 202 HG21 VAL 26 HG21 VAL 26 -4.244 -3.076 0.831 203 HG22 VAL 26 HG22 VAL 26 -2.906 -2.873 -0.306 204 HG23 VAL 26 HG23 VAL 26 -4.185 -4.047 -0.633 205 H ILE 27 H ILE 27 -6.420 -3.322 -3.503 206 HA ILE 27 HA ILE 27 -6.389 -6.162 -2.681 207 HB ILE 27 HB ILE 27 -7.879 -5.039 -5.047 208 HG12 ILE 27 HG12 ILE 27 -9.070 -5.880 -2.425 209 HG13 ILE 27 HG13 ILE 27 -8.654 -4.212 -2.783 210 HG21 ILE 27 HG21 ILE 27 -9.033 -7.213 -4.987 211 HG22 ILE 27 HG22 ILE 27 -8.021 -7.705 -3.629 212 HG23 ILE 27 HG23 ILE 27 -7.293 -7.405 -5.208 213 HD11 ILE 27 HD11 ILE 27 -10.995 -4.580 -3.173 214 HD12 ILE 27 HD12 ILE 27 -10.637 -5.919 -4.266 215 HD13 ILE 27 HD13 ILE 27 -10.177 -4.272 -4.701 216 H GLY 28 H GLY 28 -5.030 -7.443 -3.751 217 HA2 GLY 28 HA2 GLY 28 -3.550 -6.197 -5.953 218 HA3 GLY 28 HA3 GLY 28 -2.925 -7.498 -4.938 219 H GLN 29 H GLN 29 -2.665 -7.778 -7.546 220 HA GLN 29 HA GLN 29 -4.816 -8.999 -8.917 221 HB2 GLN 29 HB2 GLN 29 -3.317 -9.354 -10.646 222 HB3 GLN 29 HB3 GLN 29 -2.512 -8.056 -9.784 223 HG2 GLN 29 HG2 GLN 29 -1.860 -10.992 -9.570 224 HG3 GLN 29 HG3 GLN 29 -0.954 -9.803 -10.495 225 HE21 GLN 29 HE21 GLN 29 -1.138 -7.731 -8.453 226 HE22 GLN 29 HE22 GLN 29 -0.117 -8.249 -7.150 227 H ASP 30 H ASP 30 -3.079 -10.008 -6.308 228 HA ASP 30 HA ASP 30 -2.981 -12.834 -6.831 229 HB2 ASP 30 HB2 ASP 30 -1.292 -11.619 -5.414 230 HB3 ASP 30 HB3 ASP 30 -2.574 -11.273 -4.266 231 H SER 31 H SER 31 -5.496 -10.767 -6.250 232 HA SER 31 HA SER 31 -7.600 -10.938 -5.535 233 HB2 SER 31 HB2 SER 31 -7.002 -13.901 -5.312 234 HB3 SER 31 HB3 SER 31 -8.610 -13.180 -5.212 235 HG SER 31 HG SER 31 -6.921 -13.500 -7.415 236 H SER 32 H SER 32 -5.145 -10.928 -3.692 237 HA SER 32 HA SER 32 -6.553 -11.492 -1.204 238 HB2 SER 32 HB2 SER 32 -3.602 -11.141 -1.763 239 HB3 SER 32 HB3 SER 32 -4.302 -11.426 -0.165 240 HG SER 32 HG SER 32 -3.672 -13.204 -2.096 241 H GLU 33 H GLU 33 -7.367 -9.808 -0.253 242 HA GLU 33 HA GLU 33 -6.151 -7.181 -0.710 243 HB2 GLU 33 HB2 GLU 33 -8.295 -6.187 -0.214 244 HB3 GLU 33 HB3 GLU 33 -8.498 -7.434 -1.433 245 HG2 GLU 33 HG2 GLU 33 -9.028 -7.940 1.478 246 HG3 GLU 33 HG3 GLU 33 -10.253 -7.291 0.394 247 H ILE 34 H ILE 34 -6.287 -5.619 1.065 248 HA ILE 34 HA ILE 34 -6.358 -6.829 3.713 249 HB ILE 34 HB ILE 34 -3.955 -6.848 2.976 250 HG12 ILE 34 HG12 ILE 34 -4.295 -4.888 5.208 251 HG13 ILE 34 HG13 ILE 34 -4.885 -6.540 5.386 252 HG21 ILE 34 HG21 ILE 34 -2.760 -4.700 2.958 253 HG22 ILE 34 HG22 ILE 34 -4.313 -3.864 3.025 254 HG23 ILE 34 HG23 ILE 34 -3.908 -4.868 1.631 255 HD11 ILE 34 HD11 ILE 34 -2.063 -5.710 4.799 256 HD12 ILE 34 HD12 ILE 34 -2.652 -7.368 4.964 257 HD13 ILE 34 HD13 ILE 34 -2.691 -6.278 6.348 258 H HIS 35 H HIS 35 -6.958 -5.429 5.345 259 HA HIS 35 HA HIS 35 -7.793 -2.723 4.504 260 HB2 HIS 35 HB2 HIS 35 -8.913 -4.529 6.670 261 HB3 HIS 35 HB3 HIS 35 -9.366 -2.848 6.469 262 HD1 HIS 35 HD1 HIS 35 -11.827 -3.605 6.110 263 HD2 HIS 35 HD2 HIS 35 -9.171 -4.953 3.221 264 HE1 HIS 35 HE1 HIS 35 -13.253 -4.472 4.246 265 HE2 HIS 35 HE2 HIS 35 -11.634 -5.551 2.668 266 H PHE 36 H PHE 36 -7.132 -1.003 5.833 267 HA PHE 36 HA PHE 36 -5.716 -1.621 8.293 268 HB2 PHE 36 HB2 PHE 36 -3.752 -0.149 7.483 269 HB3 PHE 36 HB3 PHE 36 -3.803 -1.817 6.947 270 HD1 PHE 36 HD1 PHE 36 -4.565 1.650 5.923 271 HD2 PHE 36 HD2 PHE 36 -3.862 -2.353 4.690 272 HE1 PHE 36 HE1 PHE 36 -4.435 2.397 3.589 273 HE2 PHE 36 HE2 PHE 36 -3.733 -1.618 2.358 274 HZ PHE 36 HZ PHE 36 -4.022 0.768 1.802 275 HH31 ALY 37 HH31 ALY 37 -8.118 -1.740 16.782 276 HH32 ALY 37 HH32 ALY 37 -6.640 -2.234 17.632 277 HH33 ALY 37 HH33 ALY 37 -6.753 -2.360 15.865 278 HZ ALY 37 HZ ALY 37 -7.840 0.545 15.489 279 HE3 ALY 37 HE3 ALY 37 -5.188 0.855 14.502 280 HE2 ALY 37 HE2 ALY 37 -5.966 -0.621 13.934 281 HD3 ALY 37 HD3 ALY 37 -7.839 0.718 13.069 282 HD2 ALY 37 HD2 ALY 37 -7.017 2.186 13.602 283 HG3 ALY 37 HG3 ALY 37 -5.136 1.655 12.127 284 HG2 ALY 37 HG2 ALY 37 -5.980 0.200 11.593 285 HB3 ALY 37 HB3 ALY 37 -7.803 1.577 10.720 286 HB2 ALY 37 HB2 ALY 37 -6.979 3.025 11.272 287 HCA ALY 37 HCA ALY 37 -6.748 2.604 8.814 288 H ALY 37 H ALY 37 -5.200 0.233 9.556 289 H VAL 38 H VAL 38 -5.447 4.140 8.186 290 HA VAL 38 HA VAL 38 -2.797 4.335 9.461 291 HB VAL 38 HB VAL 38 -1.996 5.479 7.468 292 HG11 VAL 38 HG11 VAL 38 -1.811 3.069 7.533 293 HG12 VAL 38 HG12 VAL 38 -2.107 3.607 5.879 294 HG13 VAL 38 HG13 VAL 38 -3.415 2.900 6.829 295 HG21 VAL 38 HG21 VAL 38 -3.386 5.667 5.454 296 HG22 VAL 38 HG22 VAL 38 -4.055 6.597 6.795 297 HG23 VAL 38 HG23 VAL 38 -4.768 5.046 6.356 298 H LYS 39 H LYS 39 -1.963 6.716 9.107 299 HA LYS 39 HA LYS 39 -3.858 8.367 10.608 300 HB2 LYS 39 HB2 LYS 39 -1.480 7.950 11.394 301 HB3 LYS 39 HB3 LYS 39 -0.929 8.866 10.005 302 HG2 LYS 39 HG2 LYS 39 -1.952 10.870 10.852 303 HG3 LYS 39 HG3 LYS 39 -2.697 9.971 12.178 304 HD2 LYS 39 HD2 LYS 39 -0.436 9.366 12.990 305 HD3 LYS 39 HD3 LYS 39 0.263 10.354 11.708 306 HE2 LYS 39 HE2 LYS 39 -0.756 12.340 12.644 307 HE3 LYS 39 HE3 LYS 39 -1.578 11.376 13.871 308 HZ1 LYS 39 HZ1 LYS 39 0.585 10.747 14.762 309 HZ2 LYS 39 HZ2 LYS 39 0.404 12.428 14.764 310 HZ3 LYS 39 HZ3 LYS 39 1.365 11.685 13.591 311 H MET 40 H MET 40 -4.106 10.677 9.946 312 HA MET 40 HA MET 40 -4.846 11.043 7.301 313 HB2 MET 40 HB2 MET 40 -5.507 12.530 9.167 314 HB3 MET 40 HB3 MET 40 -3.874 13.169 9.214 315 HG2 MET 40 HG2 MET 40 -5.213 14.758 8.082 316 HG3 MET 40 HG3 MET 40 -4.211 13.974 6.867 317 HE1 MET 40 HE1 MET 40 -5.287 11.696 5.507 318 HE2 MET 40 HE2 MET 40 -5.145 13.235 4.660 319 HE3 MET 40 HE3 MET 40 -6.619 12.279 4.511 320 H THR 41 H THR 41 -1.784 11.730 8.851 321 HA THR 41 HA THR 41 -0.609 11.866 6.170 322 HB THR 41 HB THR 41 1.037 13.488 7.024 323 HG1 THR 41 HG1 THR 41 0.738 12.766 9.297 324 HG21 THR 41 HG21 THR 41 -0.455 15.412 7.165 325 HG22 THR 41 HG22 THR 41 -1.804 14.348 7.580 326 HG23 THR 41 HG23 THR 41 -1.084 14.261 5.979 327 H THR 42 H THR 42 0.686 10.179 5.858 328 HA THR 42 HA THR 42 2.770 9.478 7.598 329 HB THR 42 HB THR 42 0.798 8.431 8.825 330 HG1 THR 42 HG1 THR 42 2.714 7.524 9.325 331 HG21 THR 42 HG21 THR 42 0.811 6.603 6.416 332 HG22 THR 42 HG22 THR 42 -0.491 7.705 6.871 333 HG23 THR 42 HG23 THR 42 -0.097 6.329 7.904 334 H HIS 43 H HIS 43 3.794 7.338 6.767 335 HA HIS 43 HA HIS 43 3.750 7.507 3.853 336 HB2 HIS 43 HB2 HIS 43 5.688 6.195 5.758 337 HB3 HIS 43 HB3 HIS 43 5.825 6.098 4.007 338 HD1 HIS 43 HD1 HIS 43 7.060 7.980 6.750 339 HD2 HIS 43 HD2 HIS 43 5.921 8.903 2.871 340 HE1 HIS 43 HE1 HIS 43 8.151 10.175 6.233 341 HE2 HIS 43 HE2 HIS 43 7.241 10.820 3.982 342 H LEU 44 H LEU 44 2.816 6.041 2.623 343 HA LEU 44 HA LEU 44 1.236 3.984 3.669 344 HB2 LEU 44 HB2 LEU 44 2.193 4.360 0.841 345 HB3 LEU 44 HB3 LEU 44 0.883 3.307 1.338 346 HG LEU 44 HG LEU 44 0.958 6.313 1.429 347 HD11 LEU 44 HD11 LEU 44 0.437 5.461 -0.733 348 HD12 LEU 44 HD12 LEU 44 -1.048 6.072 -0.005 349 HD13 LEU 44 HD13 LEU 44 -0.742 4.335 -0.064 350 HD21 LEU 44 HD21 LEU 44 -1.130 4.445 2.556 351 HD22 LEU 44 HD22 LEU 44 -1.334 6.183 2.354 352 HD23 LEU 44 HD23 LEU 44 -0.116 5.565 3.468 353 H LYS 45 H LYS 45 4.556 3.945 3.250 354 HA LYS 45 HA LYS 45 5.103 1.372 2.377 355 HB2 LYS 45 HB2 LYS 45 6.750 3.228 2.798 356 HB3 LYS 45 HB3 LYS 45 6.610 2.890 4.512 357 HG2 LYS 45 HG2 LYS 45 7.335 0.668 2.684 358 HG3 LYS 45 HG3 LYS 45 8.559 1.876 3.046 359 HD2 LYS 45 HD2 LYS 45 7.041 0.212 5.060 360 HD3 LYS 45 HD3 LYS 45 8.710 -0.048 4.553 361 HE2 LYS 45 HE2 LYS 45 9.258 2.227 5.417 362 HE3 LYS 45 HE3 LYS 45 7.616 2.342 6.039 363 HZ1 LYS 45 HZ1 LYS 45 8.043 0.380 7.398 364 HZ2 LYS 45 HZ2 LYS 45 9.112 1.644 7.766 365 HZ3 LYS 45 HZ3 LYS 45 9.645 0.337 6.837 366 H LYS 46 H LYS 46 3.937 2.519 5.469 367 HA LYS 46 HA LYS 46 4.473 0.220 7.001 368 HB2 LYS 46 HB2 LYS 46 2.868 1.102 8.600 369 HB3 LYS 46 HB3 LYS 46 3.873 2.404 7.988 370 HG2 LYS 46 HG2 LYS 46 1.807 3.407 7.935 371 HG3 LYS 46 HG3 LYS 46 1.880 2.731 6.308 372 HD2 LYS 46 HD2 LYS 46 -0.234 2.084 6.984 373 HD3 LYS 46 HD3 LYS 46 0.725 0.667 7.392 374 HE2 LYS 46 HE2 LYS 46 -0.105 2.849 9.312 375 HE3 LYS 46 HE3 LYS 46 -0.836 1.252 9.184 376 HZ1 LYS 46 HZ1 LYS 46 1.270 0.277 9.863 377 HZ2 LYS 46 HZ2 LYS 46 0.735 1.397 11.013 378 HZ3 LYS 46 HZ3 LYS 46 1.973 1.814 9.968 379 H LEU 47 H LEU 47 1.938 0.943 4.694 380 HA LEU 47 HA LEU 47 0.327 -1.260 5.601 381 HB2 LEU 47 HB2 LEU 47 -1.271 -0.689 3.981 382 HB3 LEU 47 HB3 LEU 47 -0.637 0.833 4.556 383 HG LEU 47 HG LEU 47 0.919 0.561 2.419 384 HD11 LEU 47 HD11 LEU 47 0.027 -1.604 1.757 385 HD12 LEU 47 HD12 LEU 47 -0.347 -0.375 0.547 386 HD13 LEU 47 HD13 LEU 47 -1.597 -0.921 1.666 387 HD21 LEU 47 HD21 LEU 47 -0.467 2.448 2.862 388 HD22 LEU 47 HD22 LEU 47 -1.921 1.533 2.458 389 HD23 LEU 47 HD23 LEU 47 -0.738 1.920 1.200 390 H LYS 48 H LYS 48 2.696 -0.585 3.124 391 HA LYS 48 HA LYS 48 2.508 -2.952 1.638 392 HB2 LYS 48 HB2 LYS 48 4.755 -1.090 2.281 393 HB3 LYS 48 HB3 LYS 48 5.158 -2.657 1.602 394 HG2 LYS 48 HG2 LYS 48 5.077 -1.177 -0.199 395 HG3 LYS 48 HG3 LYS 48 3.571 -2.093 -0.289 396 HD2 LYS 48 HD2 LYS 48 2.372 -0.235 0.717 397 HD3 LYS 48 HD3 LYS 48 3.882 0.663 0.901 398 HE2 LYS 48 HE2 LYS 48 2.401 -0.050 -1.610 399 HE3 LYS 48 HE3 LYS 48 2.900 1.542 -1.040 400 HZ1 LYS 48 HZ1 LYS 48 4.589 -0.594 -2.213 401 HZ2 LYS 48 HZ2 LYS 48 5.263 0.664 -1.322 402 HZ3 LYS 48 HZ3 LYS 48 4.399 1.004 -2.749 403 H GLU 49 H GLU 49 4.211 -2.237 4.645 404 HA GLU 49 HA GLU 49 5.408 -4.740 5.049 405 HB2 GLU 49 HB2 GLU 49 4.396 -2.786 7.107 406 HB3 GLU 49 HB3 GLU 49 5.541 -4.088 7.397 407 HG2 GLU 49 HG2 GLU 49 7.088 -3.041 5.851 408 HG3 GLU 49 HG3 GLU 49 5.959 -1.713 5.620 409 H SER 50 H SER 50 2.428 -3.404 6.389 410 HA SER 50 HA SER 50 1.584 -5.643 7.800 411 HB2 SER 50 HB2 SER 50 -0.189 -3.600 6.441 412 HB3 SER 50 HB3 SER 50 -0.608 -4.607 7.830 413 HG SER 50 HG SER 50 1.249 -2.466 7.696 414 H TYR 51 H TYR 51 1.374 -4.919 4.453 415 HA TYR 51 HA TYR 51 -0.610 -6.919 3.787 416 HB2 TYR 51 HB2 TYR 51 0.004 -4.773 2.470 417 HB3 TYR 51 HB3 TYR 51 1.359 -5.705 1.858 418 HD1 TYR 51 HD1 TYR 51 0.236 -8.293 1.219 419 HD2 TYR 51 HD2 TYR 51 -1.516 -4.455 0.806 420 HE1 TYR 51 HE1 TYR 51 -1.169 -9.120 -0.658 421 HE2 TYR 51 HE2 TYR 51 -2.886 -5.273 -1.075 422 HH TYR 51 HH TYR 51 -3.469 -8.325 -1.735 423 H CYS 52 H CYS 52 2.874 -6.594 3.280 424 HA CYS 52 HA CYS 52 3.345 -9.195 2.327 425 HB2 CYS 52 HB2 CYS 52 4.953 -7.372 2.049 426 HB3 CYS 52 HB3 CYS 52 5.230 -7.322 3.784 427 HG CYS 52 HG CYS 52 5.893 -10.140 1.979 428 H GLN 53 H GLN 53 3.211 -7.926 5.592 429 HA GLN 53 HA GLN 53 4.274 -10.279 6.834 430 HB2 GLN 53 HB2 GLN 53 2.680 -8.012 8.033 431 HB3 GLN 53 HB3 GLN 53 3.533 -9.248 8.948 432 HG2 GLN 53 HG2 GLN 53 4.891 -7.420 7.002 433 HG3 GLN 53 HG3 GLN 53 4.699 -7.009 8.703 434 HE21 GLN 53 HE21 GLN 53 6.900 -6.975 9.075 435 HE22 GLN 53 HE22 GLN 53 7.874 -8.403 9.089 436 H ARG 54 H ARG 54 1.082 -9.204 5.948 437 HA ARG 54 HA ARG 54 -0.242 -11.274 7.477 438 HB2 ARG 54 HB2 ARG 54 -1.416 -9.222 7.324 439 HB3 ARG 54 HB3 ARG 54 -1.178 -9.139 5.586 440 HG2 ARG 54 HG2 ARG 54 -3.454 -9.683 5.984 441 HG3 ARG 54 HG3 ARG 54 -2.658 -11.122 5.351 442 HD2 ARG 54 HD2 ARG 54 -2.419 -11.929 7.698 443 HD3 ARG 54 HD3 ARG 54 -3.391 -10.553 8.218 444 HE ARG 54 HE ARG 54 -4.319 -12.966 7.022 445 HH11 ARG 54 HH11 ARG 54 -5.039 -9.547 7.414 446 HH12 ARG 54 HH12 ARG 54 -6.697 -9.701 6.950 447 HH21 ARG 54 HH21 ARG 54 -6.552 -13.187 6.452 448 HH22 ARG 54 HH22 ARG 54 -7.568 -11.794 6.422 449 H GLN 55 H GLN 55 0.131 -10.483 4.024 450 HA GLN 55 HA GLN 55 -1.043 -13.022 3.279 451 HB2 GLN 55 HB2 GLN 55 -0.139 -10.597 1.776 452 HB3 GLN 55 HB3 GLN 55 -0.402 -12.106 0.913 453 HG2 GLN 55 HG2 GLN 55 -2.386 -10.847 0.705 454 HG3 GLN 55 HG3 GLN 55 -2.729 -12.126 1.862 455 HE21 GLN 55 HE21 GLN 55 -0.913 -9.187 2.602 456 HE22 GLN 55 HE22 GLN 55 -2.115 -8.526 3.655 457 H GLY 56 H GLY 56 2.071 -11.853 3.932 458 HA2 GLY 56 HA2 GLY 56 4.148 -12.812 3.773 459 HA3 GLY 56 HA3 GLY 56 3.320 -14.338 3.495 460 H VAL 57 H VAL 57 2.782 -11.680 1.342 461 HA VAL 57 HA VAL 57 4.184 -13.175 -0.751 462 HB VAL 57 HB VAL 57 2.781 -11.832 -2.353 463 HG11 VAL 57 HG11 VAL 57 1.300 -13.506 -0.328 464 HG12 VAL 57 HG12 VAL 57 2.157 -14.101 -1.750 465 HG13 VAL 57 HG13 VAL 57 0.718 -13.102 -1.943 466 HG21 VAL 57 HG21 VAL 57 0.804 -10.686 -1.500 467 HG22 VAL 57 HG22 VAL 57 2.282 -9.948 -0.875 468 HG23 VAL 57 HG23 VAL 57 1.324 -11.009 0.156 469 HA PRO 58 HA PRO 58 7.222 -10.056 -1.295 470 HB2 PRO 58 HB2 PRO 58 7.566 -10.075 -4.002 471 HB3 PRO 58 HB3 PRO 58 8.185 -11.340 -2.934 472 HG2 PRO 58 HG2 PRO 58 5.696 -11.316 -4.598 473 HG3 PRO 58 HG3 PRO 58 6.874 -12.622 -4.364 474 HD2 PRO 58 HD2 PRO 58 4.521 -12.571 -3.063 475 HD3 PRO 58 HD3 PRO 58 5.996 -13.217 -2.315 476 H MET 59 H MET 59 6.451 -8.086 -0.785 477 HA MET 59 HA MET 59 4.439 -6.720 -2.251 478 HB2 MET 59 HB2 MET 59 5.890 -6.352 0.205 479 HB3 MET 59 HB3 MET 59 5.752 -4.838 -0.676 480 HG2 MET 59 HG2 MET 59 3.935 -5.161 0.929 481 HG3 MET 59 HG3 MET 59 3.347 -5.039 -0.724 482 HE1 MET 59 HE1 MET 59 3.045 -7.924 -2.075 483 HE2 MET 59 HE2 MET 59 1.982 -6.534 -1.843 484 HE3 MET 59 HE3 MET 59 1.449 -8.139 -1.354 485 H ASN 60 H ASN 60 7.655 -7.126 -2.962 486 HA ASN 60 HA ASN 60 7.947 -4.493 -4.177 487 HB2 ASN 60 HB2 ASN 60 9.873 -6.766 -3.777 488 HB3 ASN 60 HB3 ASN 60 10.261 -5.341 -4.738 489 HD21 ASN 60 HD21 ASN 60 9.293 -6.423 -1.538 490 HD22 ASN 60 HD22 ASN 60 9.950 -5.079 -0.686 491 H SER 61 H SER 61 7.702 -7.878 -5.117 492 HA SER 61 HA SER 61 8.136 -7.705 -7.842 493 HB2 SER 61 HB2 SER 61 6.038 -9.442 -6.534 494 HB3 SER 61 HB3 SER 61 6.883 -9.752 -8.050 495 HG SER 61 HG SER 61 8.814 -9.938 -6.872 496 H LEU 62 H LEU 62 5.330 -6.692 -6.036 497 HA LEU 62 HA LEU 62 4.160 -5.773 -8.547 498 HB2 LEU 62 HB2 LEU 62 1.950 -5.726 -7.186 499 HB3 LEU 62 HB3 LEU 62 2.515 -7.230 -7.860 500 HG LEU 62 HG LEU 62 1.504 -7.331 -5.566 501 HD11 LEU 62 HD11 LEU 62 3.117 -8.948 -4.716 502 HD12 LEU 62 HD12 LEU 62 4.281 -8.399 -5.924 503 HD13 LEU 62 HD13 LEU 62 2.774 -9.159 -6.433 504 HD21 LEU 62 HD21 LEU 62 2.509 -5.329 -4.628 505 HD22 LEU 62 HD22 LEU 62 4.108 -6.065 -4.743 506 HD23 LEU 62 HD23 LEU 62 2.895 -6.751 -3.667 507 H ARG 63 H ARG 63 2.767 -3.799 -8.262 508 HA ARG 63 HA ARG 63 4.041 -2.051 -6.278 509 HB2 ARG 63 HB2 ARG 63 4.015 -0.195 -7.802 510 HB3 ARG 63 HB3 ARG 63 4.877 -1.532 -8.543 511 HG2 ARG 63 HG2 ARG 63 1.988 -1.118 -9.156 512 HG3 ARG 63 HG3 ARG 63 3.197 -0.090 -9.922 513 HD2 ARG 63 HD2 ARG 63 4.344 -2.202 -10.670 514 HD3 ARG 63 HD3 ARG 63 2.927 -3.078 -10.081 515 HE ARG 63 HE ARG 63 1.608 -1.996 -11.745 516 HH11 ARG 63 HH11 ARG 63 5.058 -1.438 -12.108 517 HH12 ARG 63 HH12 ARG 63 4.930 -0.958 -13.756 518 HH21 ARG 63 HH21 ARG 63 1.442 -1.348 -13.931 519 HH22 ARG 63 HH22 ARG 63 2.865 -0.894 -14.796 520 H PHE 64 H PHE 64 2.783 -0.124 -5.743 521 HA PHE 64 HA PHE 64 -0.045 -0.857 -5.565 522 HB2 PHE 64 HB2 PHE 64 1.723 0.714 -3.685 523 HB3 PHE 64 HB3 PHE 64 -0.028 0.700 -3.543 524 HD1 PHE 64 HD1 PHE 64 2.683 -1.847 -3.986 525 HD2 PHE 64 HD2 PHE 64 -0.838 -0.679 -1.907 526 HE1 PHE 64 HE1 PHE 64 2.826 -3.882 -2.614 527 HE2 PHE 64 HE2 PHE 64 -0.701 -2.717 -0.533 528 HZ PHE 64 HZ PHE 64 1.131 -4.321 -0.886 529 H LEU 65 H LEU 65 -1.307 0.290 -6.780 530 HA LEU 65 HA LEU 65 -0.576 3.080 -7.391 531 HB2 LEU 65 HB2 LEU 65 -1.964 1.210 -9.296 532 HB3 LEU 65 HB3 LEU 65 -1.413 2.836 -9.624 533 HG LEU 65 HG LEU 65 0.348 0.426 -9.157 534 HD11 LEU 65 HD11 LEU 65 -0.749 0.427 -11.331 535 HD12 LEU 65 HD12 LEU 65 0.981 0.728 -11.489 536 HD13 LEU 65 HD13 LEU 65 -0.162 2.062 -11.633 537 HD21 LEU 65 HD21 LEU 65 1.384 2.428 -8.255 538 HD22 LEU 65 HD22 LEU 65 1.092 3.281 -9.773 539 HD23 LEU 65 HD23 LEU 65 2.205 1.913 -9.729 540 H PHE 66 H PHE 66 -2.132 4.516 -7.284 541 HA PHE 66 HA PHE 66 -4.808 3.563 -6.530 542 HB2 PHE 66 HB2 PHE 66 -3.858 4.704 -4.661 543 HB3 PHE 66 HB3 PHE 66 -3.281 6.019 -5.667 544 HD1 PHE 66 HD1 PHE 66 -6.646 4.422 -5.585 545 HD2 PHE 66 HD2 PHE 66 -4.319 7.902 -4.828 546 HE1 PHE 66 HE1 PHE 66 -8.690 5.681 -5.138 547 HE2 PHE 66 HE2 PHE 66 -6.368 9.176 -4.365 548 HZ PHE 66 HZ PHE 66 -8.559 8.070 -4.516 549 H GLU 67 H GLU 67 -5.963 3.646 -8.339 550 HA GLU 67 HA GLU 67 -6.872 4.363 -10.297 551 HB2 GLU 67 HB2 GLU 67 -8.048 6.473 -10.139 552 HB3 GLU 67 HB3 GLU 67 -8.075 5.686 -8.578 553 HG2 GLU 67 HG2 GLU 67 -6.482 7.187 -7.685 554 HG3 GLU 67 HG3 GLU 67 -6.098 7.826 -9.280 555 H GLY 68 H GLY 68 -3.986 4.450 -10.358 556 HA2 GLY 68 HA2 GLY 68 -2.737 4.999 -12.347 557 HA3 GLY 68 HA3 GLY 68 -3.645 6.499 -12.450 558 H GLN 69 H GLN 69 -2.863 6.090 -9.260 559 HA GLN 69 HA GLN 69 -0.604 7.937 -9.447 560 HB2 GLN 69 HB2 GLN 69 -2.336 7.022 -7.143 561 HB3 GLN 69 HB3 GLN 69 -0.971 8.112 -6.956 562 HG2 GLN 69 HG2 GLN 69 -3.118 8.822 -8.882 563 HG3 GLN 69 HG3 GLN 69 -3.441 8.975 -7.157 564 HE21 GLN 69 HE21 GLN 69 -0.233 9.450 -8.466 565 HE22 GLN 69 HE22 GLN 69 -0.202 11.160 -8.225 566 H ARG 70 H ARG 70 1.448 7.263 -8.975 567 HA ARG 70 HA ARG 70 1.728 4.507 -8.163 568 HB2 ARG 70 HB2 ARG 70 4.224 5.011 -8.642 569 HB3 ARG 70 HB3 ARG 70 3.105 4.837 -9.983 570 HG2 ARG 70 HG2 ARG 70 3.650 7.547 -8.904 571 HG3 ARG 70 HG3 ARG 70 4.859 6.769 -9.929 572 HD2 ARG 70 HD2 ARG 70 3.269 6.513 -11.717 573 HD3 ARG 70 HD3 ARG 70 1.954 7.082 -10.696 574 HE ARG 70 HE ARG 70 4.025 9.024 -10.939 575 HH11 ARG 70 HH11 ARG 70 1.297 7.628 -12.657 576 HH12 ARG 70 HH12 ARG 70 0.967 9.068 -13.556 577 HH21 ARG 70 HH21 ARG 70 3.585 10.923 -12.132 578 HH22 ARG 70 HH22 ARG 70 2.267 10.956 -13.256 579 H ILE 71 H ILE 71 2.264 3.902 -6.247 580 HA ILE 71 HA ILE 71 3.139 5.960 -4.360 581 HB ILE 71 HB ILE 71 1.460 3.486 -3.888 582 HG12 ILE 71 HG12 ILE 71 -0.068 5.283 -2.811 583 HG13 ILE 71 HG13 ILE 71 0.916 6.448 -3.683 584 HG21 ILE 71 HG21 ILE 71 3.120 3.734 -2.098 585 HG22 ILE 71 HG22 ILE 71 1.472 3.975 -1.527 586 HG23 ILE 71 HG23 ILE 71 2.526 5.367 -1.788 587 HD11 ILE 71 HD11 ILE 71 -1.134 5.928 -4.885 588 HD12 ILE 71 HD12 ILE 71 -0.699 4.221 -4.917 589 HD13 ILE 71 HD13 ILE 71 0.275 5.396 -5.798 590 H ALA 72 H ALA 72 5.353 5.698 -4.446 591 HA ALA 72 HA ALA 72 6.383 2.993 -4.071 592 HB1 ALA 72 HB1 ALA 72 7.866 5.524 -4.767 593 HB2 ALA 72 HB2 ALA 72 7.348 4.284 -5.909 594 HB3 ALA 72 HB3 ALA 72 8.559 3.905 -4.685 595 H ASP 73 H ASP 73 5.529 3.076 -1.902 596 HA ASP 73 HA ASP 73 5.739 3.105 0.353 597 HB2 ASP 73 HB2 ASP 73 8.670 3.100 -0.327 598 HB3 ASP 73 HB3 ASP 73 7.956 2.573 1.194 599 H ASN 74 H ASN 74 5.804 5.903 -0.897 600 HA ASN 74 HA ASN 74 6.592 7.182 1.567 601 HB2 ASN 74 HB2 ASN 74 7.946 8.935 0.490 602 HB3 ASN 74 HB3 ASN 74 8.659 7.335 0.360 603 HD21 ASN 74 HD21 ASN 74 9.848 7.633 -1.398 604 HD22 ASN 74 HD22 ASN 74 9.193 7.981 -2.954 605 H HIS 75 H HIS 75 4.731 7.145 -1.297 606 HA HIS 75 HA HIS 75 3.624 9.696 -1.218 607 HB2 HIS 75 HB2 HIS 75 3.174 7.361 -2.691 608 HB3 HIS 75 HB3 HIS 75 1.646 7.676 -1.881 609 HD1 HIS 75 HD1 HIS 75 2.996 8.263 -5.009 610 HD2 HIS 75 HD2 HIS 75 1.236 10.780 -2.207 611 HE1 HIS 75 HE1 HIS 75 2.229 10.274 -6.288 612 HE2 HIS 75 HE2 HIS 75 1.369 11.863 -4.558 613 H THR 76 H THR 76 1.738 10.480 -0.243 614 HA THR 76 HA THR 76 0.988 9.040 2.209 615 HB THR 76 HB THR 76 0.543 11.287 3.189 616 HG1 THR 76 HG1 THR 76 2.028 12.430 1.091 617 HG21 THR 76 HG21 THR 76 2.687 10.202 3.611 618 HG22 THR 76 HG22 THR 76 2.906 11.947 3.453 619 HG23 THR 76 HG23 THR 76 3.336 10.876 2.117 620 HA PRO 77 HA PRO 77 -3.272 9.075 0.963 621 HB2 PRO 77 HB2 PRO 77 -4.489 9.704 3.368 622 HB3 PRO 77 HB3 PRO 77 -3.924 8.090 2.935 623 HG2 PRO 77 HG2 PRO 77 -2.606 10.171 4.621 624 HG3 PRO 77 HG3 PRO 77 -2.674 8.414 4.852 625 HD2 PRO 77 HD2 PRO 77 -0.483 9.640 3.898 626 HD3 PRO 77 HD3 PRO 77 -0.968 8.026 3.341 627 H LYS 78 H LYS 78 -1.960 11.795 2.685 628 HA LYS 78 HA LYS 78 -4.142 13.592 2.207 629 HB2 LYS 78 HB2 LYS 78 -2.605 15.336 3.042 630 HB3 LYS 78 HB3 LYS 78 -2.605 13.933 4.097 631 HG2 LYS 78 HG2 LYS 78 -0.483 13.283 3.476 632 HG3 LYS 78 HG3 LYS 78 -0.550 14.152 1.945 633 HD2 LYS 78 HD2 LYS 78 -0.469 16.283 3.220 634 HD3 LYS 78 HD3 LYS 78 -0.252 15.350 4.700 635 HE2 LYS 78 HE2 LYS 78 1.791 14.362 3.786 636 HE3 LYS 78 HE3 LYS 78 1.573 15.282 2.299 637 HZ1 LYS 78 HZ1 LYS 78 3.149 16.387 3.688 638 HZ2 LYS 78 HZ2 LYS 78 2.096 16.382 5.004 639 HZ3 LYS 78 HZ3 LYS 78 1.743 17.325 3.648 640 H GLU 79 H GLU 79 -1.160 12.748 0.617 641 HA GLU 79 HA GLU 79 -1.138 14.940 -1.224 642 HB2 GLU 79 HB2 GLU 79 0.882 13.747 -0.439 643 HB3 GLU 79 HB3 GLU 79 0.326 12.305 -1.270 644 HG2 GLU 79 HG2 GLU 79 1.797 13.131 -2.797 645 HG3 GLU 79 HG3 GLU 79 0.310 13.896 -3.346 646 H LEU 80 H LEU 80 -2.230 11.615 -1.197 647 HA LEU 80 HA LEU 80 -2.693 11.452 -4.018 648 HB2 LEU 80 HB2 LEU 80 -3.654 9.737 -1.745 649 HB3 LEU 80 HB3 LEU 80 -3.829 9.346 -3.442 650 HG LEU 80 HG LEU 80 -1.127 9.795 -2.218 651 HD11 LEU 80 HD11 LEU 80 -0.977 7.396 -1.890 652 HD12 LEU 80 HD12 LEU 80 -2.673 7.223 -2.365 653 HD13 LEU 80 HD13 LEU 80 -2.250 8.116 -0.899 654 HD21 LEU 80 HD21 LEU 80 -1.312 9.801 -4.669 655 HD22 LEU 80 HD22 LEU 80 -2.065 8.207 -4.610 656 HD23 LEU 80 HD23 LEU 80 -0.396 8.415 -4.083 657 H GLY 81 H GLY 81 -4.456 12.802 -1.396 658 HA2 GLY 81 HA2 GLY 81 -6.456 13.957 -1.512 659 HA3 GLY 81 HA3 GLY 81 -6.545 13.537 -3.215 660 H MET 82 H MET 82 -6.212 10.995 -0.776 661 HA MET 82 HA MET 82 -8.776 10.034 -1.808 662 HB2 MET 82 HB2 MET 82 -8.096 7.794 -1.171 663 HB3 MET 82 HB3 MET 82 -6.884 8.525 -2.205 664 HG2 MET 82 HG2 MET 82 -5.555 9.034 -0.155 665 HG3 MET 82 HG3 MET 82 -6.735 8.102 0.768 666 HE1 MET 82 HE1 MET 82 -5.107 6.383 1.712 667 HE2 MET 82 HE2 MET 82 -3.715 7.195 0.988 668 HE3 MET 82 HE3 MET 82 -3.934 5.459 0.779 669 H GLU 83 H GLU 83 -9.972 8.578 -0.145 670 HA GLU 83 HA GLU 83 -10.032 10.055 2.410 671 HB2 GLU 83 HB2 GLU 83 -11.871 10.611 0.749 672 HB3 GLU 83 HB3 GLU 83 -12.430 8.958 0.936 673 HG2 GLU 83 HG2 GLU 83 -13.663 10.661 2.268 674 HG3 GLU 83 HG3 GLU 83 -13.010 9.316 3.199 675 H GLU 84 H GLU 84 -11.505 8.708 4.033 676 HA GLU 84 HA GLU 84 -10.216 6.188 4.365 677 HB2 GLU 84 HB2 GLU 84 -11.442 5.953 6.393 678 HB3 GLU 84 HB3 GLU 84 -11.005 7.648 6.253 679 HG2 GLU 84 HG2 GLU 84 -13.114 8.136 6.665 680 HG3 GLU 84 HG3 GLU 84 -13.523 7.449 5.092 681 H GLU 85 H GLU 85 -10.931 4.150 3.915 682 HA GLU 85 HA GLU 85 -12.279 2.441 3.400 683 HB2 GLU 85 HB2 GLU 85 -14.228 3.776 4.384 684 HB3 GLU 85 HB3 GLU 85 -14.517 4.380 2.762 685 HG2 GLU 85 HG2 GLU 85 -14.988 2.158 1.969 686 HG3 GLU 85 HG3 GLU 85 -14.554 1.472 3.535 687 H ASP 86 H ASP 86 -10.572 4.240 1.831 688 HA ASP 86 HA ASP 86 -11.645 4.237 -0.840 689 HB2 ASP 86 HB2 ASP 86 -9.724 5.668 0.500 690 HB3 ASP 86 HB3 ASP 86 -8.777 4.625 -0.553 691 H VAL 87 H VAL 87 -10.185 3.328 -2.623 692 HA VAL 87 HA VAL 87 -9.185 0.698 -1.791 693 HB VAL 87 HB VAL 87 -11.345 0.414 -2.883 694 HG11 VAL 87 HG11 VAL 87 -10.111 1.793 -5.262 695 HG12 VAL 87 HG12 VAL 87 -11.387 2.436 -4.232 696 HG13 VAL 87 HG13 VAL 87 -11.694 1.015 -5.229 697 HG21 VAL 87 HG21 VAL 87 -9.052 -0.483 -4.629 698 HG22 VAL 87 HG22 VAL 87 -10.683 -1.154 -4.657 699 HG23 VAL 87 HG23 VAL 87 -9.683 -1.328 -3.215 700 H ILE 88 H ILE 88 -7.246 0.149 -2.452 701 HA ILE 88 HA ILE 88 -5.924 1.771 -4.523 702 HB ILE 88 HB ILE 88 -4.528 0.182 -2.358 703 HG12 ILE 88 HG12 ILE 88 -5.854 2.028 -1.348 704 HG13 ILE 88 HG13 ILE 88 -4.122 2.270 -1.167 705 HG21 ILE 88 HG21 ILE 88 -3.228 0.572 -4.376 706 HG22 ILE 88 HG22 ILE 88 -2.556 1.457 -3.003 707 HG23 ILE 88 HG23 ILE 88 -3.504 2.307 -4.226 708 HD11 ILE 88 HD11 ILE 88 -5.315 4.328 -1.727 709 HD12 ILE 88 HD12 ILE 88 -5.850 3.595 -3.241 710 HD13 ILE 88 HD13 ILE 88 -4.133 3.881 -2.953 711 H GLU 89 H GLU 89 -4.568 0.614 -5.990 712 HA GLU 89 HA GLU 89 -5.465 -2.165 -6.335 713 HB2 GLU 89 HB2 GLU 89 -4.549 -0.363 -8.549 714 HB3 GLU 89 HB3 GLU 89 -5.579 -1.789 -8.642 715 HG2 GLU 89 HG2 GLU 89 -7.363 -0.565 -7.478 716 HG3 GLU 89 HG3 GLU 89 -6.322 0.841 -7.397 717 H VAL 90 H VAL 90 -3.913 -3.701 -6.536 718 HA VAL 90 HA VAL 90 -1.130 -2.762 -6.674 719 HB VAL 90 HB VAL 90 -2.140 -5.281 -5.336 720 HG11 VAL 90 HG11 VAL 90 0.632 -4.138 -5.512 721 HG12 VAL 90 HG12 VAL 90 0.052 -5.603 -6.304 722 HG13 VAL 90 HG13 VAL 90 0.152 -5.531 -4.544 723 HG21 VAL 90 HG21 VAL 90 -2.703 -3.270 -4.085 724 HG22 VAL 90 HG22 VAL 90 -1.017 -2.754 -4.170 725 HG23 VAL 90 HG23 VAL 90 -1.448 -4.204 -3.266 726 H TYR 91 H TYR 91 -0.311 -3.071 -8.573 727 HA TYR 91 HA TYR 91 -1.262 -5.298 -10.232 728 HB2 TYR 91 HB2 TYR 91 0.292 -2.823 -10.947 729 HB3 TYR 91 HB3 TYR 91 -0.242 -4.035 -12.101 730 HD1 TYR 91 HD1 TYR 91 -1.224 -1.253 -9.961 731 HD2 TYR 91 HD2 TYR 91 -2.628 -4.184 -12.697 732 HE1 TYR 91 HE1 TYR 91 -3.316 -0.007 -10.209 733 HE2 TYR 91 HE2 TYR 91 -4.737 -2.937 -12.951 734 HH TYR 91 HH TYR 91 -6.061 -1.229 -11.435 735 H GLN 92 H GLN 92 0.127 -6.798 -11.048 736 HA GLN 92 HA GLN 92 2.666 -7.069 -9.682 737 HB2 GLN 92 HB2 GLN 92 0.880 -8.925 -10.274 738 HB3 GLN 92 HB3 GLN 92 1.715 -8.945 -11.818 739 HG2 GLN 92 HG2 GLN 92 3.026 -9.417 -9.143 740 HG3 GLN 92 HG3 GLN 92 2.488 -10.684 -10.236 741 HE21 GLN 92 HE21 GLN 92 5.140 -10.084 -9.206 742 HE22 GLN 92 HE22 GLN 92 6.151 -9.829 -10.583 743 H GLU 93 H GLU 93 4.458 -6.228 -10.475 744 HA GLU 93 HA GLU 93 5.392 -6.489 -13.061 745 HB2 GLU 93 HB2 GLU 93 3.360 -4.865 -13.257 746 HB3 GLU 93 HB3 GLU 93 4.477 -3.650 -12.690 747 HG2 GLU 93 HG2 GLU 93 4.850 -5.396 -15.113 748 HG3 GLU 93 HG3 GLU 93 4.223 -3.751 -15.154 749 H GLN 94 H GLN 94 7.448 -6.202 -12.873 750 HA GLN 94 HA GLN 94 8.577 -5.480 -10.366 751 HB2 GLN 94 HB2 GLN 94 10.783 -5.810 -11.482 752 HB3 GLN 94 HB3 GLN 94 9.683 -7.172 -11.611 753 HG2 GLN 94 HG2 GLN 94 9.130 -6.524 -13.886 754 HG3 GLN 94 HG3 GLN 94 10.195 -5.128 -13.752 755 HE21 GLN 94 HE21 GLN 94 10.218 -7.465 -15.535 756 HE22 GLN 94 HE22 GLN 94 11.792 -8.160 -15.373 757 H THR 95 H THR 95 9.667 -3.738 -9.669 758 HA THR 95 HA THR 95 9.255 -1.300 -11.162 759 HB THR 95 HB THR 95 10.250 -0.287 -9.009 760 HG1 THR 95 HG1 THR 95 9.470 -2.425 -7.524 761 HG21 THR 95 HG21 THR 95 7.857 -0.238 -9.538 762 HG22 THR 95 HG22 THR 95 8.111 -0.522 -7.816 763 HG23 THR 95 HG23 THR 95 7.671 -1.862 -8.874 764 H GLY 96 H GLY 96 10.953 0.186 -11.621 765 HA2 GLY 96 HA2 GLY 96 13.292 0.727 -11.627 766 HA3 GLY 96 HA3 GLY 96 13.631 -0.999 -11.526 767 H GLY 97 H GLY 97 15.064 -0.488 -13.356 768 HA2 GLY 97 HA2 GLY 97 15.076 -1.405 -15.615 769 HA3 GLY 97 HA3 GLY 97 13.548 -0.570 -15.882 Start of MODEL 10 1 H MET 1 H MET 1 4.440 21.918 5.297 2 HA MET 1 HA MET 1 4.440 24.217 5.927 3 HB2 MET 1 HB2 MET 1 6.158 24.503 3.464 4 HB3 MET 1 HB3 MET 1 5.335 25.855 4.227 5 HG2 MET 1 HG2 MET 1 7.391 24.093 5.534 6 HG3 MET 1 HG3 MET 1 7.677 25.707 4.885 7 HE1 MET 1 HE1 MET 1 8.484 24.937 7.839 8 HE2 MET 1 HE2 MET 1 7.909 26.358 8.715 9 HE3 MET 1 HE3 MET 1 8.697 26.545 7.149 10 H SER 2 H SER 2 2.423 24.699 5.619 11 HA SER 2 HA SER 2 1.352 24.705 2.896 12 HB2 SER 2 HB2 SER 2 -0.812 23.766 3.892 13 HB3 SER 2 HB3 SER 2 0.520 22.634 3.661 14 HG SER 2 HG SER 2 0.499 22.282 5.724 15 H ASP 3 H ASP 3 -0.574 25.994 2.642 16 HA ASP 3 HA ASP 3 -0.473 28.348 4.297 17 HB2 ASP 3 HB2 ASP 3 -2.146 29.258 2.705 18 HB3 ASP 3 HB3 ASP 3 -0.704 28.653 1.901 19 H GLN 4 H GLN 4 -2.036 29.045 5.682 20 HA GLN 4 HA GLN 4 -4.509 27.779 6.106 21 HB2 GLN 4 HB2 GLN 4 -3.986 26.599 8.229 22 HB3 GLN 4 HB3 GLN 4 -3.206 25.865 6.837 23 HG2 GLN 4 HG2 GLN 4 -1.105 26.993 7.441 24 HG3 GLN 4 HG3 GLN 4 -1.896 27.681 8.857 25 HE21 GLN 4 HE21 GLN 4 -0.482 26.664 10.277 26 HE22 GLN 4 HE22 GLN 4 -0.541 24.967 10.586 27 H GLU 5 H GLU 5 -5.074 28.217 8.649 28 HA GLU 5 HA GLU 5 -4.678 31.078 8.961 29 HB2 GLU 5 HB2 GLU 5 -6.937 30.085 9.141 30 HB3 GLU 5 HB3 GLU 5 -6.397 29.131 10.513 31 HG2 GLU 5 HG2 GLU 5 -5.985 31.208 11.761 32 HG3 GLU 5 HG3 GLU 5 -6.598 32.129 10.388 33 H ALA 6 H ALA 6 -3.481 28.130 10.160 34 HA ALA 6 HA ALA 6 -1.884 27.557 11.614 35 HB1 ALA 6 HB1 ALA 6 -0.371 29.206 12.539 36 HB2 ALA 6 HB2 ALA 6 -1.484 30.502 12.099 37 HB3 ALA 6 HB3 ALA 6 -0.697 29.553 10.839 38 H LYS 7 H LYS 7 -2.032 26.715 13.566 39 HA LYS 7 HA LYS 7 -3.912 27.964 15.460 40 HB2 LYS 7 HB2 LYS 7 -4.323 25.724 16.340 41 HB3 LYS 7 HB3 LYS 7 -4.653 25.766 14.617 42 HG2 LYS 7 HG2 LYS 7 -2.712 24.547 14.097 43 HG3 LYS 7 HG3 LYS 7 -2.011 24.825 15.692 44 HD2 LYS 7 HD2 LYS 7 -4.502 23.196 15.186 45 HD3 LYS 7 HD3 LYS 7 -2.885 22.512 15.354 46 HE2 LYS 7 HE2 LYS 7 -2.723 23.451 17.620 47 HE3 LYS 7 HE3 LYS 7 -4.336 24.138 17.451 48 HZ1 LYS 7 HZ1 LYS 7 -4.563 22.138 18.644 49 HZ2 LYS 7 HZ2 LYS 7 -3.589 21.273 17.573 50 HZ3 LYS 7 HZ3 LYS 7 -5.123 21.799 17.087 51 HA PRO 8 HA PRO 8 -0.521 28.149 18.335 52 HB2 PRO 8 HB2 PRO 8 -1.806 28.043 20.699 53 HB3 PRO 8 HB3 PRO 8 -1.932 29.455 19.641 54 HG2 PRO 8 HG2 PRO 8 -3.834 27.176 19.988 55 HG3 PRO 8 HG3 PRO 8 -4.182 28.915 19.901 56 HD2 PRO 8 HD2 PRO 8 -4.476 27.246 17.777 57 HD3 PRO 8 HD3 PRO 8 -4.029 28.955 17.602 58 H SER 9 H SER 9 0.182 26.929 20.417 59 HA SER 9 HA SER 9 -0.038 24.081 19.783 60 HB2 SER 9 HB2 SER 9 1.976 25.512 21.521 61 HB3 SER 9 HB3 SER 9 2.008 23.807 21.072 62 HG SER 9 HG SER 9 1.863 24.944 18.798 63 H THR 10 H THR 10 -1.397 22.901 20.977 64 HA THR 10 HA THR 10 -2.424 23.790 23.455 65 HB THR 10 HB THR 10 -3.726 22.329 21.953 66 HG1 THR 10 HG1 THR 10 -4.643 21.945 23.824 67 HG21 THR 10 HG21 THR 10 -3.197 19.916 21.849 68 HG22 THR 10 HG22 THR 10 -1.693 20.238 22.714 69 HG23 THR 10 HG23 THR 10 -1.948 20.919 21.110 70 H GLU 11 H GLU 11 -2.397 21.884 25.282 71 HA GLU 11 HA GLU 11 0.343 21.966 26.213 72 HB2 GLU 11 HB2 GLU 11 -2.146 20.950 27.566 73 HB3 GLU 11 HB3 GLU 11 -0.582 21.172 28.338 74 HG2 GLU 11 HG2 GLU 11 -0.708 23.561 27.958 75 HG3 GLU 11 HG3 GLU 11 -2.240 23.357 27.107 76 H ASP 12 H ASP 12 -1.082 19.949 24.236 77 HA ASP 12 HA ASP 12 -0.781 17.776 23.548 78 HB2 ASP 12 HB2 ASP 12 1.596 18.567 23.727 79 HB3 ASP 12 HB3 ASP 12 1.628 17.830 25.329 80 H LEU 13 H LEU 13 -2.514 18.078 25.515 81 HA LEU 13 HA LEU 13 -2.257 16.655 27.845 82 HB2 LEU 13 HB2 LEU 13 -4.825 16.269 27.494 83 HB3 LEU 13 HB3 LEU 13 -4.181 17.866 27.809 84 HG LEU 13 HG LEU 13 -4.151 18.058 25.191 85 HD11 LEU 13 HD11 LEU 13 -4.762 15.743 24.755 86 HD12 LEU 13 HD12 LEU 13 -5.967 16.861 24.117 87 HD13 LEU 13 HD13 LEU 13 -6.287 15.979 25.609 88 HD21 LEU 13 HD21 LEU 13 -6.689 18.206 26.818 89 HD22 LEU 13 HD22 LEU 13 -6.421 18.991 25.263 90 HD23 LEU 13 HD23 LEU 13 -5.469 19.469 26.666 91 H GLY 14 H GLY 14 -2.979 15.387 24.633 92 HA2 GLY 14 HA2 GLY 14 -2.215 13.245 23.969 93 HA3 GLY 14 HA3 GLY 14 -2.201 12.751 25.653 94 H ASP 15 H ASP 15 -4.867 13.723 26.190 95 HA ASP 15 HA ASP 15 -6.353 11.421 25.656 96 HB2 ASP 15 HB2 ASP 15 -6.837 13.107 27.451 97 HB3 ASP 15 HB3 ASP 15 -7.520 14.151 26.210 98 H LYS 16 H LYS 16 -6.257 14.483 23.944 99 HA LYS 16 HA LYS 16 -7.892 13.295 21.815 100 HB2 LYS 16 HB2 LYS 16 -7.326 16.221 22.345 101 HB3 LYS 16 HB3 LYS 16 -8.399 15.575 21.109 102 HG2 LYS 16 HG2 LYS 16 -9.857 14.664 22.840 103 HG3 LYS 16 HG3 LYS 16 -8.779 15.296 24.083 104 HD2 LYS 16 HD2 LYS 16 -10.620 16.805 23.854 105 HD3 LYS 16 HD3 LYS 16 -9.191 17.582 23.173 106 HE2 LYS 16 HE2 LYS 16 -9.918 17.040 20.934 107 HE3 LYS 16 HE3 LYS 16 -11.286 16.125 21.567 108 HZ1 LYS 16 HZ1 LYS 16 -12.112 18.195 22.550 109 HZ2 LYS 16 HZ2 LYS 16 -12.016 18.276 20.872 110 HZ3 LYS 16 HZ3 LYS 16 -10.848 19.046 21.823 111 H LYS 17 H LYS 17 -7.123 13.507 19.646 112 HA LYS 17 HA LYS 17 -4.214 13.749 19.597 113 HB2 LYS 17 HB2 LYS 17 -5.779 11.699 18.768 114 HB3 LYS 17 HB3 LYS 17 -5.590 12.597 17.267 115 HG2 LYS 17 HG2 LYS 17 -3.791 11.227 17.116 116 HG3 LYS 17 HG3 LYS 17 -3.059 12.581 17.978 117 HD2 LYS 17 HD2 LYS 17 -4.102 10.025 19.217 118 HD3 LYS 17 HD3 LYS 17 -2.411 10.468 19.001 119 HE2 LYS 17 HE2 LYS 17 -2.678 12.331 20.544 120 HE3 LYS 17 HE3 LYS 17 -4.395 11.967 20.710 121 HZ1 LYS 17 HZ1 LYS 17 -2.119 10.283 21.598 122 HZ2 LYS 17 HZ2 LYS 17 -3.728 9.771 21.608 123 HZ3 LYS 17 HZ3 LYS 17 -3.258 11.066 22.577 124 H GLU 18 H GLU 18 -3.155 14.841 17.950 125 HA GLU 18 HA GLU 18 -4.550 17.160 16.946 126 HB2 GLU 18 HB2 GLU 18 -1.684 16.253 16.876 127 HB3 GLU 18 HB3 GLU 18 -2.228 17.678 16.000 128 HG2 GLU 18 HG2 GLU 18 -2.610 17.303 18.957 129 HG3 GLU 18 HG3 GLU 18 -1.210 18.107 18.245 130 H GLY 19 H GLY 19 -4.052 14.058 15.840 131 HA2 GLY 19 HA2 GLY 19 -4.672 14.914 13.106 132 HA3 GLY 19 HA3 GLY 19 -3.400 13.729 13.382 133 H GLU 20 H GLU 20 -6.093 13.598 12.015 134 HA GLU 20 HA GLU 20 -7.441 11.619 13.646 135 HB2 GLU 20 HB2 GLU 20 -9.172 11.699 11.892 136 HB3 GLU 20 HB3 GLU 20 -8.837 13.280 12.579 137 HG2 GLU 20 HG2 GLU 20 -7.479 13.838 10.631 138 HG3 GLU 20 HG3 GLU 20 -7.808 12.245 9.948 139 H TYR 21 H TYR 21 -8.148 9.588 12.582 140 HA TYR 21 HA TYR 21 -6.095 8.579 10.734 141 HB2 TYR 21 HB2 TYR 21 -7.214 7.193 13.180 142 HB3 TYR 21 HB3 TYR 21 -6.261 6.398 11.931 143 HD1 TYR 21 HD1 TYR 21 -6.021 9.374 14.219 144 HD2 TYR 21 HD2 TYR 21 -3.993 6.153 12.315 145 HE1 TYR 21 HE1 TYR 21 -3.968 9.961 15.422 146 HE2 TYR 21 HE2 TYR 21 -1.932 6.741 13.513 147 HH TYR 21 HH TYR 21 -1.856 8.805 16.147 148 H ILE 22 H ILE 22 -6.792 7.101 9.187 149 HA ILE 22 HA ILE 22 -9.681 6.575 9.120 150 HB ILE 22 HB ILE 22 -9.506 6.771 6.640 151 HG12 ILE 22 HG12 ILE 22 -7.012 8.368 7.034 152 HG13 ILE 22 HG13 ILE 22 -6.900 6.618 6.869 153 HG21 ILE 22 HG21 ILE 22 -9.588 9.231 6.600 154 HG22 ILE 22 HG22 ILE 22 -8.902 9.271 8.225 155 HG23 ILE 22 HG23 ILE 22 -10.496 8.563 7.958 156 HD11 ILE 22 HD11 ILE 22 -8.136 8.511 4.902 157 HD12 ILE 22 HD12 ILE 22 -8.065 6.750 4.757 158 HD13 ILE 22 HD13 ILE 22 -6.573 7.696 4.752 159 H LYS 23 H LYS 23 -10.227 4.709 7.771 160 HA LYS 23 HA LYS 23 -8.006 2.798 7.595 161 HB2 LYS 23 HB2 LYS 23 -9.748 0.990 7.931 162 HB3 LYS 23 HB3 LYS 23 -9.413 1.990 9.332 163 HG2 LYS 23 HG2 LYS 23 -11.708 1.819 9.388 164 HG3 LYS 23 HG3 LYS 23 -11.476 3.348 8.539 165 HD2 LYS 23 HD2 LYS 23 -11.725 2.144 6.390 166 HD3 LYS 23 HD3 LYS 23 -12.067 0.666 7.293 167 HE2 LYS 23 HE2 LYS 23 -13.652 3.219 7.440 168 HE3 LYS 23 HE3 LYS 23 -14.103 1.788 6.517 169 HZ1 LYS 23 HZ1 LYS 23 -15.253 1.860 8.637 170 HZ2 LYS 23 HZ2 LYS 23 -13.785 1.915 9.471 171 HZ3 LYS 23 HZ3 LYS 23 -14.204 0.537 8.590 172 H LEU 24 H LEU 24 -7.697 1.697 5.755 173 HA LEU 24 HA LEU 24 -9.588 2.157 3.568 174 HB2 LEU 24 HB2 LEU 24 -6.606 2.256 3.174 175 HB3 LEU 24 HB3 LEU 24 -7.855 2.653 2.023 176 HG LEU 24 HG LEU 24 -8.452 4.530 3.733 177 HD11 LEU 24 HD11 LEU 24 -6.917 3.739 5.476 178 HD12 LEU 24 HD12 LEU 24 -6.531 5.378 4.948 179 HD13 LEU 24 HD13 LEU 24 -5.556 4.020 4.390 180 HD21 LEU 24 HD21 LEU 24 -6.013 4.615 1.982 181 HD22 LEU 24 HD22 LEU 24 -6.904 6.019 2.578 182 HD23 LEU 24 HD23 LEU 24 -7.674 4.888 1.466 183 H LYS 25 H LYS 25 -8.442 0.812 1.552 184 HA LYS 25 HA LYS 25 -7.756 -1.852 2.444 185 HB2 LYS 25 HB2 LYS 25 -10.168 -1.981 2.592 186 HB3 LYS 25 HB3 LYS 25 -10.348 -1.254 1.007 187 HG2 LYS 25 HG2 LYS 25 -8.823 -3.797 1.153 188 HG3 LYS 25 HG3 LYS 25 -10.560 -3.886 1.432 189 HD2 LYS 25 HD2 LYS 25 -9.285 -2.583 -0.972 190 HD3 LYS 25 HD3 LYS 25 -9.879 -4.243 -0.940 191 HE2 LYS 25 HE2 LYS 25 -11.594 -1.870 -0.273 192 HE3 LYS 25 HE3 LYS 25 -11.454 -2.513 -1.908 193 HZ1 LYS 25 HZ1 LYS 25 -12.410 -4.034 0.465 194 HZ2 LYS 25 HZ2 LYS 25 -12.327 -4.613 -1.119 195 HZ3 LYS 25 HZ3 LYS 25 -13.395 -3.368 -0.736 196 H VAL 26 H VAL 26 -6.768 -3.066 0.815 197 HA VAL 26 HA VAL 26 -6.567 -1.817 -1.822 198 HB VAL 26 HB VAL 26 -4.219 -1.765 -1.957 199 HG11 VAL 26 HG11 VAL 26 -3.449 -0.393 -0.110 200 HG12 VAL 26 HG12 VAL 26 -4.809 -0.940 0.872 201 HG13 VAL 26 HG13 VAL 26 -5.103 0.043 -0.554 202 HG21 VAL 26 HG21 VAL 26 -4.090 -3.300 0.605 203 HG22 VAL 26 HG22 VAL 26 -2.700 -2.725 -0.315 204 HG23 VAL 26 HG23 VAL 26 -3.777 -3.946 -1.001 205 H ILE 27 H ILE 27 -6.313 -3.256 -3.491 206 HA ILE 27 HA ILE 27 -6.340 -6.111 -2.726 207 HB ILE 27 HB ILE 27 -7.731 -4.827 -5.092 208 HG12 ILE 27 HG12 ILE 27 -9.030 -5.867 -2.584 209 HG13 ILE 27 HG13 ILE 27 -8.571 -4.180 -2.776 210 HG21 ILE 27 HG21 ILE 27 -7.152 -7.190 -5.410 211 HG22 ILE 27 HG22 ILE 27 -8.896 -6.979 -5.264 212 HG23 ILE 27 HG23 ILE 27 -7.967 -7.595 -3.899 213 HD11 ILE 27 HD11 ILE 27 -10.515 -5.699 -4.494 214 HD12 ILE 27 HD12 ILE 27 -10.039 -4.014 -4.718 215 HD13 ILE 27 HD13 ILE 27 -10.911 -4.497 -3.265 216 H GLY 28 H GLY 28 -5.205 -7.532 -4.066 217 HA2 GLY 28 HA2 GLY 28 -3.509 -6.203 -6.071 218 HA3 GLY 28 HA3 GLY 28 -2.828 -7.357 -4.930 219 H GLN 29 H GLN 29 -2.194 -8.034 -7.245 220 HA GLN 29 HA GLN 29 -4.028 -9.308 -8.954 221 HB2 GLN 29 HB2 GLN 29 -2.193 -9.930 -10.221 222 HB3 GLN 29 HB3 GLN 29 -1.525 -8.579 -9.319 223 HG2 GLN 29 HG2 GLN 29 -1.154 -11.500 -8.649 224 HG3 GLN 29 HG3 GLN 29 0.030 -10.471 -9.442 225 HE21 GLN 29 HE21 GLN 29 -0.453 -8.167 -7.759 226 HE22 GLN 29 HE22 GLN 29 0.198 -8.560 -6.202 227 H ASP 30 H ASP 30 -2.858 -10.199 -5.942 228 HA ASP 30 HA ASP 30 -2.954 -13.057 -6.295 229 HB2 ASP 30 HB2 ASP 30 -1.382 -11.880 -4.719 230 HB3 ASP 30 HB3 ASP 30 -2.777 -11.411 -3.761 231 H SER 31 H SER 31 -5.214 -10.682 -6.095 232 HA SER 31 HA SER 31 -7.467 -10.657 -5.863 233 HB2 SER 31 HB2 SER 31 -7.303 -13.608 -5.195 234 HB3 SER 31 HB3 SER 31 -8.736 -12.718 -5.707 235 HG SER 31 HG SER 31 -7.201 -12.220 -7.626 236 H SER 32 H SER 32 -5.316 -10.951 -3.572 237 HA SER 32 HA SER 32 -7.134 -11.249 -1.330 238 HB2 SER 32 HB2 SER 32 -4.123 -10.982 -1.464 239 HB3 SER 32 HB3 SER 32 -5.051 -11.212 0.023 240 HG SER 32 HG SER 32 -4.166 -13.050 -1.699 241 H GLU 33 H GLU 33 -6.732 -9.620 0.480 242 HA GLU 33 HA GLU 33 -6.041 -6.986 -0.468 243 HB2 GLU 33 HB2 GLU 33 -8.170 -6.002 0.143 244 HB3 GLU 33 HB3 GLU 33 -8.409 -7.243 -1.080 245 HG2 GLU 33 HG2 GLU 33 -9.102 -8.810 0.681 246 HG3 GLU 33 HG3 GLU 33 -8.929 -7.520 1.869 247 H ILE 34 H ILE 34 -5.964 -5.454 1.271 248 HA ILE 34 HA ILE 34 -5.905 -6.675 3.936 249 HB ILE 34 HB ILE 34 -3.565 -6.492 3.036 250 HG12 ILE 34 HG12 ILE 34 -2.727 -5.010 5.037 251 HG13 ILE 34 HG13 ILE 34 -4.425 -5.042 5.503 252 HG21 ILE 34 HG21 ILE 34 -4.248 -3.589 2.946 253 HG22 ILE 34 HG22 ILE 34 -3.573 -4.632 1.686 254 HG23 ILE 34 HG23 ILE 34 -2.584 -4.164 3.065 255 HD11 ILE 34 HD11 ILE 34 -4.348 -7.495 5.508 256 HD12 ILE 34 HD12 ILE 34 -3.194 -6.779 6.634 257 HD13 ILE 34 HD13 ILE 34 -2.636 -7.418 5.089 258 H HIS 35 H HIS 35 -6.656 -5.397 5.551 259 HA HIS 35 HA HIS 35 -7.661 -2.731 4.796 260 HB2 HIS 35 HB2 HIS 35 -8.573 -4.508 7.094 261 HB3 HIS 35 HB3 HIS 35 -9.298 -2.985 6.603 262 HD1 HIS 35 HD1 HIS 35 -10.811 -5.777 6.748 263 HD2 HIS 35 HD2 HIS 35 -9.307 -3.982 3.319 264 HE1 HIS 35 HE1 HIS 35 -12.134 -6.740 4.847 265 HE2 HIS 35 HE2 HIS 35 -11.089 -5.771 2.766 266 H PHE 36 H PHE 36 -6.978 -0.995 6.063 267 HA PHE 36 HA PHE 36 -5.478 -1.548 8.495 268 HB2 PHE 36 HB2 PHE 36 -3.566 -0.082 7.604 269 HB3 PHE 36 HB3 PHE 36 -3.631 -1.746 7.050 270 HD1 PHE 36 HD1 PHE 36 -4.412 1.751 6.090 271 HD2 PHE 36 HD2 PHE 36 -3.845 -2.258 4.782 272 HE1 PHE 36 HE1 PHE 36 -4.408 2.513 3.759 273 HE2 PHE 36 HE2 PHE 36 -3.843 -1.501 2.456 274 HZ PHE 36 HZ PHE 36 -4.130 0.891 1.938 275 HH31 ALY 37 HH31 ALY 37 -5.321 -0.440 17.000 276 HH32 ALY 37 HH32 ALY 37 -6.908 -0.200 17.759 277 HH33 ALY 37 HH33 ALY 37 -5.416 0.199 18.634 278 HZ ALY 37 HZ ALY 37 -7.427 2.036 15.855 279 HE3 ALY 37 HE3 ALY 37 -4.889 2.039 14.664 280 HE2 ALY 37 HE2 ALY 37 -5.565 0.411 14.601 281 HD3 ALY 37 HD3 ALY 37 -7.528 1.245 13.445 282 HD2 ALY 37 HD2 ALY 37 -6.920 2.896 13.568 283 HG3 ALY 37 HG3 ALY 37 -4.944 2.213 12.241 284 HG2 ALY 37 HG2 ALY 37 -5.678 0.619 12.041 285 HB3 ALY 37 HB3 ALY 37 -7.566 1.579 10.897 286 HB2 ALY 37 HB2 ALY 37 -6.979 3.199 11.218 287 HCA ALY 37 HCA ALY 37 -6.572 2.635 8.893 288 H ALY 37 H ALY 37 -5.085 0.287 9.771 289 H VAL 38 H VAL 38 -5.450 4.335 8.510 290 HA VAL 38 HA VAL 38 -2.754 4.548 9.638 291 HB VAL 38 HB VAL 38 -2.040 5.666 7.571 292 HG11 VAL 38 HG11 VAL 38 -2.038 3.707 6.091 293 HG12 VAL 38 HG12 VAL 38 -3.283 2.963 7.099 294 HG13 VAL 38 HG13 VAL 38 -1.687 3.288 7.768 295 HG21 VAL 38 HG21 VAL 38 -4.176 6.601 6.871 296 HG22 VAL 38 HG22 VAL 38 -4.789 4.983 6.532 297 HG23 VAL 38 HG23 VAL 38 -3.464 5.642 5.573 298 H LYS 39 H LYS 39 -2.060 6.995 9.103 299 HA LYS 39 HA LYS 39 -4.110 8.603 10.439 300 HB2 LYS 39 HB2 LYS 39 -1.698 8.473 11.288 301 HB3 LYS 39 HB3 LYS 39 -1.256 9.411 9.866 302 HG2 LYS 39 HG2 LYS 39 -2.872 11.166 10.632 303 HG3 LYS 39 HG3 LYS 39 -3.052 10.250 12.128 304 HD2 LYS 39 HD2 LYS 39 -0.497 11.441 11.053 305 HD3 LYS 39 HD3 LYS 39 -1.454 12.042 12.409 306 HE2 LYS 39 HE2 LYS 39 -1.008 9.997 13.651 307 HE3 LYS 39 HE3 LYS 39 -0.097 9.351 12.288 308 HZ1 LYS 39 HZ1 LYS 39 1.523 11.084 12.554 309 HZ2 LYS 39 HZ2 LYS 39 1.318 10.294 14.033 310 HZ3 LYS 39 HZ3 LYS 39 0.619 11.809 13.786 311 H MET 40 H MET 40 -4.515 10.815 9.590 312 HA MET 40 HA MET 40 -5.089 10.916 6.875 313 HB2 MET 40 HB2 MET 40 -6.003 12.472 8.598 314 HB3 MET 40 HB3 MET 40 -4.448 13.286 8.642 315 HG2 MET 40 HG2 MET 40 -5.963 14.580 7.315 316 HG3 MET 40 HG3 MET 40 -4.741 13.890 6.255 317 HE1 MET 40 HE1 MET 40 -5.349 11.322 5.063 318 HE2 MET 40 HE2 MET 40 -5.312 12.782 4.081 319 HE3 MET 40 HE3 MET 40 -6.626 11.621 3.886 320 H THR 41 H THR 41 -2.194 11.778 8.576 321 HA THR 41 HA THR 41 -0.835 11.949 5.978 322 HB THR 41 HB THR 41 0.689 13.630 6.918 323 HG1 THR 41 HG1 THR 41 0.217 12.788 9.176 324 HG21 THR 41 HG21 THR 41 -0.908 15.495 7.095 325 HG22 THR 41 HG22 THR 41 -2.222 14.336 7.338 326 HG23 THR 41 HG23 THR 41 -1.376 14.388 5.801 327 H THR 42 H THR 42 0.496 10.254 5.778 328 HA THR 42 HA THR 42 2.488 9.597 7.646 329 HB THR 42 HB THR 42 0.449 8.583 8.797 330 HG1 THR 42 HG1 THR 42 1.561 6.703 9.321 331 HG21 THR 42 HG21 THR 42 -0.361 6.437 7.878 332 HG22 THR 42 HG22 THR 42 0.563 6.742 6.408 333 HG23 THR 42 HG23 THR 42 -0.773 7.810 6.851 334 H HIS 43 H HIS 43 3.568 7.435 6.895 335 HA HIS 43 HA HIS 43 3.589 7.497 3.983 336 HB2 HIS 43 HB2 HIS 43 5.490 6.441 6.040 337 HB3 HIS 43 HB3 HIS 43 5.573 5.840 4.389 338 HD1 HIS 43 HD1 HIS 43 8.037 7.189 5.083 339 HD2 HIS 43 HD2 HIS 43 4.727 9.380 3.861 340 HE1 HIS 43 HE1 HIS 43 8.944 9.376 4.255 341 HE2 HIS 43 HE2 HIS 43 6.921 10.700 3.548 342 H LEU 44 H LEU 44 2.761 5.999 2.742 343 HA LEU 44 HA LEU 44 1.105 3.963 3.786 344 HB2 LEU 44 HB2 LEU 44 2.111 4.316 0.970 345 HB3 LEU 44 HB3 LEU 44 0.786 3.277 1.453 346 HG LEU 44 HG LEU 44 0.884 6.281 1.480 347 HD11 LEU 44 HD11 LEU 44 0.331 5.369 -0.649 348 HD12 LEU 44 HD12 LEU 44 -1.143 6.013 0.074 349 HD13 LEU 44 HD13 LEU 44 -0.849 4.274 0.065 350 HD21 LEU 44 HD21 LEU 44 -1.212 4.472 2.688 351 HD22 LEU 44 HD22 LEU 44 -1.402 6.206 2.430 352 HD23 LEU 44 HD23 LEU 44 -0.177 5.612 3.552 353 H LYS 45 H LYS 45 4.417 3.955 3.467 354 HA LYS 45 HA LYS 45 5.024 1.400 2.552 355 HB2 LYS 45 HB2 LYS 45 6.583 3.371 3.098 356 HB3 LYS 45 HB3 LYS 45 6.537 2.796 4.753 357 HG2 LYS 45 HG2 LYS 45 7.276 0.886 2.595 358 HG3 LYS 45 HG3 LYS 45 8.454 2.089 3.106 359 HD2 LYS 45 HD2 LYS 45 7.058 0.157 4.954 360 HD3 LYS 45 HD3 LYS 45 8.669 -0.090 4.277 361 HE2 LYS 45 HE2 LYS 45 9.389 2.028 5.346 362 HE3 LYS 45 HE3 LYS 45 7.802 2.158 6.097 363 HZ1 LYS 45 HZ1 LYS 45 8.232 -0.007 7.183 364 HZ2 LYS 45 HZ2 LYS 45 9.326 1.195 7.648 365 HZ3 LYS 45 HZ3 LYS 45 9.801 0.011 6.547 366 H LYS 46 H LYS 46 3.763 2.471 5.641 367 HA LYS 46 HA LYS 46 4.293 0.188 7.178 368 HB2 LYS 46 HB2 LYS 46 2.526 0.956 8.679 369 HB3 LYS 46 HB3 LYS 46 3.500 2.318 8.156 370 HG2 LYS 46 HG2 LYS 46 1.462 3.270 7.884 371 HG3 LYS 46 HG3 LYS 46 1.553 2.467 6.318 372 HD2 LYS 46 HD2 LYS 46 -0.591 1.917 7.140 373 HD3 LYS 46 HD3 LYS 46 0.386 0.490 7.462 374 HE2 LYS 46 HE2 LYS 46 0.665 1.126 9.771 375 HE3 LYS 46 HE3 LYS 46 -0.166 2.660 9.480 376 HZ1 LYS 46 HZ1 LYS 46 -1.493 0.849 10.568 377 HZ2 LYS 46 HZ2 LYS 46 -1.491 0.038 9.090 378 HZ3 LYS 46 HZ3 LYS 46 -2.206 1.566 9.222 379 H LEU 47 H LEU 47 1.705 0.888 4.892 380 HA LEU 47 HA LEU 47 0.228 -1.460 5.590 381 HB2 LEU 47 HB2 LEU 47 -1.335 -0.865 3.955 382 HB3 LEU 47 HB3 LEU 47 -0.755 0.657 4.589 383 HG LEU 47 HG LEU 47 0.876 0.448 2.485 384 HD11 LEU 47 HD11 LEU 47 -0.012 -1.692 1.748 385 HD12 LEU 47 HD12 LEU 47 -0.337 -0.430 0.562 386 HD13 LEU 47 HD13 LEU 47 -1.626 -0.992 1.624 387 HD21 LEU 47 HD21 LEU 47 -1.963 1.438 2.457 388 HD22 LEU 47 HD22 LEU 47 -0.729 1.856 1.266 389 HD23 LEU 47 HD23 LEU 47 -0.526 2.334 2.953 390 H LYS 48 H LYS 48 2.699 -0.635 3.255 391 HA LYS 48 HA LYS 48 2.529 -2.900 1.596 392 HB2 LYS 48 HB2 LYS 48 4.718 -1.043 2.363 393 HB3 LYS 48 HB3 LYS 48 5.188 -2.579 1.658 394 HG2 LYS 48 HG2 LYS 48 5.100 -1.018 -0.092 395 HG3 LYS 48 HG3 LYS 48 3.676 -2.043 -0.266 396 HD2 LYS 48 HD2 LYS 48 2.272 -0.349 0.667 397 HD3 LYS 48 HD3 LYS 48 3.671 0.651 1.087 398 HE2 LYS 48 HE2 LYS 48 2.493 0.063 -1.601 399 HE3 LYS 48 HE3 LYS 48 2.894 1.622 -0.880 400 HZ1 LYS 48 HZ1 LYS 48 4.760 -0.400 -1.987 401 HZ2 LYS 48 HZ2 LYS 48 5.293 0.860 -1.021 402 HZ3 LYS 48 HZ3 LYS 48 4.541 1.191 -2.510 403 H GLU 49 H GLU 49 4.511 -2.412 4.509 404 HA GLU 49 HA GLU 49 5.508 -5.007 4.690 405 HB2 GLU 49 HB2 GLU 49 4.891 -3.146 6.975 406 HB3 GLU 49 HB3 GLU 49 6.039 -4.483 6.985 407 HG2 GLU 49 HG2 GLU 49 7.283 -3.314 5.194 408 HG3 GLU 49 HG3 GLU 49 6.213 -1.936 5.408 409 H SER 50 H SER 50 2.700 -3.545 6.243 410 HA SER 50 HA SER 50 1.860 -5.780 7.680 411 HB2 SER 50 HB2 SER 50 0.117 -3.606 6.491 412 HB3 SER 50 HB3 SER 50 -0.307 -4.666 7.836 413 HG SER 50 HG SER 50 1.688 -2.647 7.743 414 H TYR 51 H TYR 51 1.448 -4.989 4.296 415 HA TYR 51 HA TYR 51 -0.556 -6.971 3.756 416 HB2 TYR 51 HB2 TYR 51 0.007 -4.893 2.339 417 HB3 TYR 51 HB3 TYR 51 1.379 -5.812 1.740 418 HD1 TYR 51 HD1 TYR 51 0.431 -8.417 1.133 419 HD2 TYR 51 HD2 TYR 51 -1.650 -4.739 0.770 420 HE1 TYR 51 HE1 TYR 51 -1.000 -9.413 -0.598 421 HE2 TYR 51 HE2 TYR 51 -3.101 -5.731 -0.970 422 HH TYR 51 HH TYR 51 -3.148 -7.510 -2.515 423 H CYS 52 H CYS 52 2.921 -6.743 3.147 424 HA CYS 52 HA CYS 52 3.269 -9.346 2.130 425 HB2 CYS 52 HB2 CYS 52 4.902 -7.498 1.849 426 HB3 CYS 52 HB3 CYS 52 5.329 -7.612 3.535 427 HG CYS 52 HG CYS 52 5.701 -10.239 1.395 428 H GLN 53 H GLN 53 3.242 -8.108 5.397 429 HA GLN 53 HA GLN 53 4.282 -10.466 6.625 430 HB2 GLN 53 HB2 GLN 53 2.856 -8.036 7.674 431 HB3 GLN 53 HB3 GLN 53 3.351 -9.362 8.721 432 HG2 GLN 53 HG2 GLN 53 5.312 -8.030 6.910 433 HG3 GLN 53 HG3 GLN 53 4.905 -7.312 8.466 434 HE21 GLN 53 HE21 GLN 53 6.405 -9.995 6.832 435 HE22 GLN 53 HE22 GLN 53 7.212 -10.649 8.209 436 H ARG 54 H ARG 54 1.063 -9.285 5.889 437 HA ARG 54 HA ARG 54 -0.220 -11.337 7.465 438 HB2 ARG 54 HB2 ARG 54 -1.191 -9.093 7.250 439 HB3 ARG 54 HB3 ARG 54 -1.369 -9.348 5.521 440 HG2 ARG 54 HG2 ARG 54 -3.493 -9.656 6.611 441 HG3 ARG 54 HG3 ARG 54 -2.926 -11.200 5.973 442 HD2 ARG 54 HD2 ARG 54 -2.180 -11.872 8.177 443 HD3 ARG 54 HD3 ARG 54 -2.623 -10.296 8.835 444 HE ARG 54 HE ARG 54 -4.857 -11.509 7.603 445 HH11 ARG 54 HH11 ARG 54 -2.866 -11.744 10.482 446 HH12 ARG 54 HH12 ARG 54 -4.135 -12.399 11.453 447 HH21 ARG 54 HH21 ARG 54 -6.527 -12.372 8.886 448 HH22 ARG 54 HH22 ARG 54 -6.225 -12.755 10.545 449 H GLN 55 H GLN 55 0.068 -10.585 3.999 450 HA GLN 55 HA GLN 55 -1.287 -13.057 3.325 451 HB2 GLN 55 HB2 GLN 55 -0.357 -10.680 1.778 452 HB3 GLN 55 HB3 GLN 55 -0.674 -12.181 0.924 453 HG2 GLN 55 HG2 GLN 55 -2.635 -10.854 0.791 454 HG3 GLN 55 HG3 GLN 55 -2.967 -12.175 1.905 455 HE21 GLN 55 HE21 GLN 55 -1.097 -9.311 2.717 456 HE22 GLN 55 HE22 GLN 55 -2.253 -8.665 3.827 457 H GLY 56 H GLY 56 1.903 -12.061 3.846 458 HA2 GLY 56 HA2 GLY 56 3.908 -13.165 3.623 459 HA3 GLY 56 HA3 GLY 56 2.974 -14.623 3.328 460 H VAL 57 H VAL 57 2.634 -11.818 1.294 461 HA VAL 57 HA VAL 57 3.864 -13.349 -0.887 462 HB VAL 57 HB VAL 57 2.528 -11.899 -2.427 463 HG11 VAL 57 HG11 VAL 57 1.740 -14.112 -1.820 464 HG12 VAL 57 HG12 VAL 57 0.383 -12.999 -1.997 465 HG13 VAL 57 HG13 VAL 57 0.947 -13.454 -0.390 466 HG21 VAL 57 HG21 VAL 57 1.205 -10.976 0.120 467 HG22 VAL 57 HG22 VAL 57 0.666 -10.605 -1.518 468 HG23 VAL 57 HG23 VAL 57 2.217 -9.995 -0.939 469 HA PRO 58 HA PRO 58 7.104 -10.411 -1.314 470 HB2 PRO 58 HB2 PRO 58 7.541 -10.505 -3.994 471 HB3 PRO 58 HB3 PRO 58 8.010 -11.811 -2.898 472 HG2 PRO 58 HG2 PRO 58 5.575 -11.582 -4.630 473 HG3 PRO 58 HG3 PRO 58 6.647 -12.974 -4.396 474 HD2 PRO 58 HD2 PRO 58 4.291 -12.783 -3.134 475 HD3 PRO 58 HD3 PRO 58 5.709 -13.513 -2.353 476 H MET 59 H MET 59 6.437 -8.368 -0.879 477 HA MET 59 HA MET 59 4.556 -6.958 -2.473 478 HB2 MET 59 HB2 MET 59 6.226 -6.270 -0.103 479 HB3 MET 59 HB3 MET 59 5.460 -4.970 -1.013 480 HG2 MET 59 HG2 MET 59 4.057 -7.320 0.229 481 HG3 MET 59 HG3 MET 59 4.129 -5.692 0.912 482 HE1 MET 59 HE1 MET 59 1.357 -7.303 -2.306 483 HE2 MET 59 HE2 MET 59 1.842 -8.069 -0.799 484 HE3 MET 59 HE3 MET 59 3.008 -7.895 -2.104 485 H ASN 60 H ASN 60 7.746 -7.569 -3.058 486 HA ASN 60 HA ASN 60 8.332 -5.025 -4.349 487 HB2 ASN 60 HB2 ASN 60 9.920 -7.591 -4.120 488 HB3 ASN 60 HB3 ASN 60 10.483 -6.177 -5.001 489 HD21 ASN 60 HD21 ASN 60 8.652 -5.870 -2.050 490 HD22 ASN 60 HD22 ASN 60 9.952 -5.339 -1.053 491 H SER 61 H SER 61 7.562 -8.315 -5.194 492 HA SER 61 HA SER 61 7.914 -8.252 -7.941 493 HB2 SER 61 HB2 SER 61 5.834 -9.824 -6.418 494 HB3 SER 61 HB3 SER 61 6.425 -10.179 -8.041 495 HG SER 61 HG SER 61 8.566 -10.322 -7.032 496 H LEU 62 H LEU 62 5.450 -6.627 -6.154 497 HA LEU 62 HA LEU 62 4.246 -5.846 -8.682 498 HB2 LEU 62 HB2 LEU 62 2.054 -5.644 -7.320 499 HB3 LEU 62 HB3 LEU 62 2.541 -7.187 -7.969 500 HG LEU 62 HG LEU 62 1.546 -7.196 -5.654 501 HD11 LEU 62 HD11 LEU 62 3.047 -8.890 -4.789 502 HD12 LEU 62 HD12 LEU 62 4.271 -8.397 -5.959 503 HD13 LEU 62 HD13 LEU 62 2.749 -9.092 -6.519 504 HD21 LEU 62 HD21 LEU 62 2.948 -6.637 -3.767 505 HD22 LEU 62 HD22 LEU 62 2.687 -5.216 -4.775 506 HD23 LEU 62 HD23 LEU 62 4.223 -6.078 -4.849 507 H ARG 63 H ARG 63 2.731 -3.822 -8.202 508 HA ARG 63 HA ARG 63 4.154 -2.062 -6.333 509 HB2 ARG 63 HB2 ARG 63 3.986 -0.183 -7.940 510 HB3 ARG 63 HB3 ARG 63 5.043 -1.469 -8.487 511 HG2 ARG 63 HG2 ARG 63 2.200 -1.415 -9.402 512 HG3 ARG 63 HG3 ARG 63 3.381 -0.330 -10.140 513 HD2 ARG 63 HD2 ARG 63 4.815 -2.344 -10.545 514 HD3 ARG 63 HD3 ARG 63 3.452 -3.331 -10.016 515 HE ARG 63 HE ARG 63 2.366 -2.881 -12.006 516 HH11 ARG 63 HH11 ARG 63 5.223 -0.833 -11.749 517 HH12 ARG 63 HH12 ARG 63 5.231 -0.437 -13.434 518 HH21 ARG 63 HH21 ARG 63 2.387 -2.322 -14.240 519 HH22 ARG 63 HH22 ARG 63 3.619 -1.269 -14.849 520 H PHE 64 H PHE 64 2.939 0.007 -5.944 521 HA PHE 64 HA PHE 64 0.101 -0.673 -5.609 522 HB2 PHE 64 HB2 PHE 64 1.988 0.867 -3.843 523 HB3 PHE 64 HB3 PHE 64 0.243 0.997 -3.670 524 HD1 PHE 64 HD1 PHE 64 2.889 -1.625 -3.901 525 HD2 PHE 64 HD2 PHE 64 -0.790 -0.379 -2.172 526 HE1 PHE 64 HE1 PHE 64 2.886 -3.623 -2.476 527 HE2 PHE 64 HE2 PHE 64 -0.796 -2.377 -0.746 528 HZ PHE 64 HZ PHE 64 1.039 -4.000 -0.895 529 H LEU 65 H LEU 65 -1.092 0.380 -6.913 530 HA LEU 65 HA LEU 65 -0.481 3.218 -7.482 531 HB2 LEU 65 HB2 LEU 65 -1.829 1.382 -9.442 532 HB3 LEU 65 HB3 LEU 65 -1.220 3.007 -9.718 533 HG LEU 65 HG LEU 65 0.471 0.546 -9.250 534 HD11 LEU 65 HD11 LEU 65 0.030 2.188 -11.735 535 HD12 LEU 65 HD12 LEU 65 -0.627 0.581 -11.429 536 HD13 LEU 65 HD13 LEU 65 1.116 0.807 -11.576 537 HD21 LEU 65 HD21 LEU 65 1.299 3.373 -9.909 538 HD22 LEU 65 HD22 LEU 65 2.371 1.976 -9.763 539 HD23 LEU 65 HD23 LEU 65 1.506 2.578 -8.347 540 H PHE 66 H PHE 66 -2.083 4.609 -7.355 541 HA PHE 66 HA PHE 66 -4.697 3.545 -6.550 542 HB2 PHE 66 HB2 PHE 66 -3.788 4.775 -4.726 543 HB3 PHE 66 HB3 PHE 66 -3.285 6.096 -5.763 544 HD1 PHE 66 HD1 PHE 66 -6.574 4.371 -5.699 545 HD2 PHE 66 HD2 PHE 66 -4.388 7.919 -4.838 546 HE1 PHE 66 HE1 PHE 66 -8.667 5.536 -5.250 547 HE2 PHE 66 HE2 PHE 66 -6.490 9.104 -4.364 548 HZ PHE 66 HZ PHE 66 -8.636 7.916 -4.569 549 H GLU 67 H GLU 67 -5.825 3.462 -8.376 550 HA GLU 67 HA GLU 67 -6.760 4.022 -10.367 551 HB2 GLU 67 HB2 GLU 67 -8.205 5.968 -10.263 552 HB3 GLU 67 HB3 GLU 67 -8.192 5.156 -8.715 553 HG2 GLU 67 HG2 GLU 67 -6.791 6.840 -7.761 554 HG3 GLU 67 HG3 GLU 67 -6.541 7.576 -9.344 555 H GLY 68 H GLY 68 -3.982 4.417 -10.462 556 HA2 GLY 68 HA2 GLY 68 -2.816 5.112 -12.465 557 HA3 GLY 68 HA3 GLY 68 -3.838 6.542 -12.500 558 H GLN 69 H GLN 69 -2.969 6.073 -9.338 559 HA GLN 69 HA GLN 69 -0.841 8.064 -9.518 560 HB2 GLN 69 HB2 GLN 69 -2.582 7.052 -7.281 561 HB3 GLN 69 HB3 GLN 69 -1.173 8.057 -6.961 562 HG2 GLN 69 HG2 GLN 69 -3.533 8.813 -8.673 563 HG3 GLN 69 HG3 GLN 69 -3.274 9.314 -7.003 564 HE21 GLN 69 HE21 GLN 69 -0.386 9.617 -7.402 565 HE22 GLN 69 HE22 GLN 69 -0.195 11.087 -8.282 566 H ARG 70 H ARG 70 1.160 7.727 -8.481 567 HA ARG 70 HA ARG 70 1.787 4.889 -8.191 568 HB2 ARG 70 HB2 ARG 70 4.129 5.438 -8.766 569 HB3 ARG 70 HB3 ARG 70 3.002 5.838 -10.049 570 HG2 ARG 70 HG2 ARG 70 3.933 7.933 -8.121 571 HG3 ARG 70 HG3 ARG 70 4.919 7.468 -9.509 572 HD2 ARG 70 HD2 ARG 70 2.083 8.505 -9.611 573 HD3 ARG 70 HD3 ARG 70 3.533 9.416 -10.012 574 HE ARG 70 HE ARG 70 3.621 7.240 -11.642 575 HH11 ARG 70 HH11 ARG 70 1.312 9.829 -11.070 576 HH12 ARG 70 HH12 ARG 70 0.627 9.733 -12.654 577 HH21 ARG 70 HH21 ARG 70 2.730 7.133 -13.746 578 HH22 ARG 70 HH22 ARG 70 1.436 8.196 -14.184 579 H ILE 71 H ILE 71 2.194 4.176 -6.276 580 HA ILE 71 HA ILE 71 3.009 6.098 -4.210 581 HB ILE 71 HB ILE 71 1.431 3.529 -3.950 582 HG12 ILE 71 HG12 ILE 71 -0.258 5.156 -2.876 583 HG13 ILE 71 HG13 ILE 71 0.707 6.443 -3.584 584 HG21 ILE 71 HG21 ILE 71 2.344 5.375 -1.740 585 HG22 ILE 71 HG22 ILE 71 3.015 3.785 -2.090 586 HG23 ILE 71 HG23 ILE 71 1.342 3.933 -1.555 587 HD11 ILE 71 HD11 ILE 71 0.242 5.572 -5.821 588 HD12 ILE 71 HD12 ILE 71 -1.250 5.904 -4.949 589 HD13 ILE 71 HD13 ILE 71 -0.683 4.245 -5.118 590 H ALA 72 H ALA 72 5.239 5.904 -4.340 591 HA ALA 72 HA ALA 72 6.325 3.203 -4.100 592 HB1 ALA 72 HB1 ALA 72 8.471 4.170 -4.718 593 HB2 ALA 72 HB2 ALA 72 7.755 5.782 -4.722 594 HB3 ALA 72 HB3 ALA 72 7.231 4.582 -5.903 595 H ASP 73 H ASP 73 5.514 3.184 -1.924 596 HA ASP 73 HA ASP 73 5.749 3.146 0.329 597 HB2 ASP 73 HB2 ASP 73 8.665 3.201 -0.422 598 HB3 ASP 73 HB3 ASP 73 8.018 2.688 1.135 599 H ASN 74 H ASN 74 5.762 6.010 -0.837 600 HA ASN 74 HA ASN 74 6.493 7.190 1.709 601 HB2 ASN 74 HB2 ASN 74 7.968 8.871 0.912 602 HB3 ASN 74 HB3 ASN 74 8.547 7.349 0.251 603 HD21 ASN 74 HD21 ASN 74 8.431 7.001 -1.946 604 HD22 ASN 74 HD22 ASN 74 8.125 8.284 -3.063 605 H HIS 75 H HIS 75 4.468 7.047 -0.937 606 HA HIS 75 HA HIS 75 3.533 9.704 -0.957 607 HB2 HIS 75 HB2 HIS 75 3.080 7.437 -2.494 608 HB3 HIS 75 HB3 HIS 75 1.535 7.719 -1.697 609 HD1 HIS 75 HD1 HIS 75 2.965 8.438 -4.770 610 HD2 HIS 75 HD2 HIS 75 1.117 10.823 -1.914 611 HE1 HIS 75 HE1 HIS 75 2.205 10.489 -5.992 612 HE2 HIS 75 HE2 HIS 75 1.005 11.874 -4.280 613 H THR 76 H THR 76 1.646 10.531 -0.036 614 HA THR 76 HA THR 76 0.810 9.115 2.390 615 HB THR 76 HB THR 76 0.338 11.343 3.357 616 HG1 THR 76 HG1 THR 76 1.800 12.770 1.547 617 HG21 THR 76 HG21 THR 76 2.642 12.020 3.700 618 HG22 THR 76 HG22 THR 76 3.140 11.132 2.257 619 HG23 THR 76 HG23 THR 76 2.543 10.256 3.667 620 HA PRO 77 HA PRO 77 -3.340 9.027 0.962 621 HB2 PRO 77 HB2 PRO 77 -4.720 9.590 3.291 622 HB3 PRO 77 HB3 PRO 77 -4.049 8.008 2.890 623 HG2 PRO 77 HG2 PRO 77 -2.961 10.132 4.671 624 HG3 PRO 77 HG3 PRO 77 -2.915 8.372 4.861 625 HD2 PRO 77 HD2 PRO 77 -0.781 9.825 4.040 626 HD3 PRO 77 HD3 PRO 77 -1.067 8.154 3.505 627 H LYS 78 H LYS 78 -2.223 11.849 2.664 628 HA LYS 78 HA LYS 78 -4.516 13.464 1.969 629 HB2 LYS 78 HB2 LYS 78 -3.267 15.327 2.961 630 HB3 LYS 78 HB3 LYS 78 -3.252 13.931 4.023 631 HG2 LYS 78 HG2 LYS 78 -1.021 13.602 3.795 632 HG3 LYS 78 HG3 LYS 78 -0.984 14.233 2.148 633 HD2 LYS 78 HD2 LYS 78 -1.175 16.489 2.956 634 HD3 LYS 78 HD3 LYS 78 -1.381 15.923 4.613 635 HE2 LYS 78 HE2 LYS 78 0.862 14.991 4.590 636 HE3 LYS 78 HE3 LYS 78 1.066 15.481 2.911 637 HZ1 LYS 78 HZ1 LYS 78 0.649 17.330 5.203 638 HZ2 LYS 78 HZ2 LYS 78 0.843 17.786 3.590 639 HZ3 LYS 78 HZ3 LYS 78 2.119 17.054 4.417 640 H GLU 79 H GLU 79 -1.389 12.736 0.681 641 HA GLU 79 HA GLU 79 -1.271 14.939 -1.149 642 HB2 GLU 79 HB2 GLU 79 0.688 13.712 -0.159 643 HB3 GLU 79 HB3 GLU 79 0.270 12.356 -1.187 644 HG2 GLU 79 HG2 GLU 79 1.979 13.475 -2.318 645 HG3 GLU 79 HG3 GLU 79 0.494 13.979 -3.131 646 H LEU 80 H LEU 80 -2.274 11.601 -1.162 647 HA LEU 80 HA LEU 80 -2.607 11.391 -3.997 648 HB2 LEU 80 HB2 LEU 80 -3.644 9.725 -1.718 649 HB3 LEU 80 HB3 LEU 80 -3.797 9.300 -3.412 650 HG LEU 80 HG LEU 80 -1.117 9.758 -2.144 651 HD11 LEU 80 HD11 LEU 80 -0.976 7.367 -1.787 652 HD12 LEU 80 HD12 LEU 80 -2.647 7.177 -2.328 653 HD13 LEU 80 HD13 LEU 80 -2.292 8.078 -0.848 654 HD21 LEU 80 HD21 LEU 80 -1.246 9.757 -4.586 655 HD22 LEU 80 HD22 LEU 80 -2.024 8.174 -4.546 656 HD23 LEU 80 HD23 LEU 80 -0.362 8.357 -3.982 657 H GLY 81 H GLY 81 -4.428 12.851 -1.517 658 HA2 GLY 81 HA2 GLY 81 -6.430 13.992 -1.709 659 HA3 GLY 81 HA3 GLY 81 -6.518 13.465 -3.383 660 H MET 82 H MET 82 -6.125 11.077 -0.837 661 HA MET 82 HA MET 82 -8.757 10.097 -1.661 662 HB2 MET 82 HB2 MET 82 -8.041 7.858 -1.179 663 HB3 MET 82 HB3 MET 82 -6.859 8.610 -2.232 664 HG2 MET 82 HG2 MET 82 -5.445 9.026 -0.224 665 HG3 MET 82 HG3 MET 82 -6.605 8.086 0.717 666 HE1 MET 82 HE1 MET 82 -3.622 7.118 0.824 667 HE2 MET 82 HE2 MET 82 -3.863 5.392 0.551 668 HE3 MET 82 HE3 MET 82 -5.004 6.294 1.547 669 H GLU 83 H GLU 83 -9.711 8.577 0.121 670 HA GLU 83 HA GLU 83 -9.507 9.935 2.723 671 HB2 GLU 83 HB2 GLU 83 -11.968 9.494 1.050 672 HB3 GLU 83 HB3 GLU 83 -12.066 9.750 2.785 673 HG2 GLU 83 HG2 GLU 83 -11.256 11.907 2.638 674 HG3 GLU 83 HG3 GLU 83 -10.627 11.667 1.006 675 H GLU 84 H GLU 84 -11.523 8.578 4.020 676 HA GLU 84 HA GLU 84 -10.295 6.046 4.460 677 HB2 GLU 84 HB2 GLU 84 -12.075 5.670 6.099 678 HB3 GLU 84 HB3 GLU 84 -11.330 7.242 6.308 679 HG2 GLU 84 HG2 GLU 84 -13.227 8.268 5.125 680 HG3 GLU 84 HG3 GLU 84 -13.981 6.677 5.017 681 H GLU 85 H GLU 85 -11.476 3.964 4.402 682 HA GLU 85 HA GLU 85 -12.325 2.312 3.170 683 HB2 GLU 85 HB2 GLU 85 -14.413 3.451 4.025 684 HB3 GLU 85 HB3 GLU 85 -14.524 4.265 2.472 685 HG2 GLU 85 HG2 GLU 85 -14.853 2.201 1.332 686 HG3 GLU 85 HG3 GLU 85 -14.491 1.274 2.784 687 H ASP 86 H ASP 86 -10.446 4.138 1.868 688 HA ASP 86 HA ASP 86 -11.354 4.268 -0.864 689 HB2 ASP 86 HB2 ASP 86 -9.379 5.560 0.684 690 HB3 ASP 86 HB3 ASP 86 -8.542 4.708 -0.610 691 H VAL 87 H VAL 87 -9.992 3.315 -2.596 692 HA VAL 87 HA VAL 87 -8.962 0.722 -1.710 693 HB VAL 87 HB VAL 87 -11.117 0.443 -2.856 694 HG11 VAL 87 HG11 VAL 87 -11.088 2.398 -4.291 695 HG12 VAL 87 HG12 VAL 87 -11.356 0.936 -5.241 696 HG13 VAL 87 HG13 VAL 87 -9.769 1.707 -5.236 697 HG21 VAL 87 HG21 VAL 87 -8.773 -0.567 -4.467 698 HG22 VAL 87 HG22 VAL 87 -10.414 -1.211 -4.534 699 HG23 VAL 87 HG23 VAL 87 -9.477 -1.339 -3.046 700 H ILE 88 H ILE 88 -7.094 0.098 -2.426 701 HA ILE 88 HA ILE 88 -5.708 1.792 -4.414 702 HB ILE 88 HB ILE 88 -4.336 0.155 -2.269 703 HG12 ILE 88 HG12 ILE 88 -5.607 2.026 -1.256 704 HG13 ILE 88 HG13 ILE 88 -3.870 2.260 -1.108 705 HG21 ILE 88 HG21 ILE 88 -3.006 0.495 -4.274 706 HG22 ILE 88 HG22 ILE 88 -2.334 1.402 -2.915 707 HG23 ILE 88 HG23 ILE 88 -3.262 2.235 -4.164 708 HD11 ILE 88 HD11 ILE 88 -3.928 3.808 -2.994 709 HD12 ILE 88 HD12 ILE 88 -4.975 4.332 -1.675 710 HD13 ILE 88 HD13 ILE 88 -5.674 3.588 -3.116 711 H GLU 89 H GLU 89 -4.522 0.740 -6.021 712 HA GLU 89 HA GLU 89 -5.359 -2.047 -6.402 713 HB2 GLU 89 HB2 GLU 89 -4.451 -0.270 -8.617 714 HB3 GLU 89 HB3 GLU 89 -5.591 -1.611 -8.660 715 HG2 GLU 89 HG2 GLU 89 -7.204 -0.214 -7.400 716 HG3 GLU 89 HG3 GLU 89 -6.064 1.120 -7.492 717 H VAL 90 H VAL 90 -3.813 -3.540 -6.478 718 HA VAL 90 HA VAL 90 -1.041 -2.627 -6.726 719 HB VAL 90 HB VAL 90 -2.113 -5.175 -5.496 720 HG11 VAL 90 HG11 VAL 90 0.031 -5.577 -6.546 721 HG12 VAL 90 HG12 VAL 90 0.191 -5.583 -4.790 722 HG13 VAL 90 HG13 VAL 90 0.715 -4.178 -5.719 723 HG21 VAL 90 HG21 VAL 90 -2.516 -3.195 -4.142 724 HG22 VAL 90 HG22 VAL 90 -0.806 -2.772 -4.257 725 HG23 VAL 90 HG23 VAL 90 -1.297 -4.235 -3.403 726 H TYR 91 H TYR 91 -0.171 -2.905 -8.608 727 HA TYR 91 HA TYR 91 -1.231 -4.952 -10.413 728 HB2 TYR 91 HB2 TYR 91 0.445 -2.502 -10.928 729 HB3 TYR 91 HB3 TYR 91 0.001 -3.671 -12.169 730 HD1 TYR 91 HD1 TYR 91 -1.263 -1.104 -9.860 731 HD2 TYR 91 HD2 TYR 91 -2.233 -3.706 -13.076 732 HE1 TYR 91 HE1 TYR 91 -3.373 0.088 -10.176 733 HE2 TYR 91 HE2 TYR 91 -4.358 -2.517 -13.402 734 HH TYR 91 HH TYR 91 -5.076 0.454 -11.741 735 H GLN 92 H GLN 92 0.013 -6.466 -11.344 736 HA GLN 92 HA GLN 92 2.390 -7.164 -9.860 737 HB2 GLN 92 HB2 GLN 92 0.689 -8.831 -10.271 738 HB3 GLN 92 HB3 GLN 92 0.855 -8.617 -12.003 739 HG2 GLN 92 HG2 GLN 92 1.969 -10.637 -11.295 740 HG3 GLN 92 HG3 GLN 92 3.151 -9.462 -11.871 741 HE21 GLN 92 HE21 GLN 92 4.789 -10.470 -10.740 742 HE22 GLN 92 HE22 GLN 92 4.933 -10.322 -9.028 743 H GLU 93 H GLU 93 4.329 -6.658 -10.454 744 HA GLU 93 HA GLU 93 5.551 -7.175 -12.845 745 HB2 GLU 93 HB2 GLU 93 4.300 -5.425 -13.906 746 HB3 GLU 93 HB3 GLU 93 4.730 -4.255 -12.665 747 HG2 GLU 93 HG2 GLU 93 7.042 -4.309 -13.389 748 HG3 GLU 93 HG3 GLU 93 6.692 -5.612 -14.518 749 H GLN 94 H GLN 94 7.372 -7.659 -12.021 750 HA GLN 94 HA GLN 94 8.298 -6.512 -9.552 751 HB2 GLN 94 HB2 GLN 94 8.496 -8.933 -10.179 752 HB3 GLN 94 HB3 GLN 94 9.769 -8.461 -11.295 753 HG2 GLN 94 HG2 GLN 94 11.164 -7.718 -9.510 754 HG3 GLN 94 HG3 GLN 94 9.863 -7.911 -8.340 755 HE21 GLN 94 HE21 GLN 94 12.240 -9.524 -10.271 756 HE22 GLN 94 HE22 GLN 94 12.122 -11.064 -9.496 757 H THR 95 H THR 95 8.261 -4.454 -11.036 758 HA THR 95 HA THR 95 11.010 -3.938 -11.934 759 HB THR 95 HB THR 95 9.182 -3.419 -13.554 760 HG1 THR 95 HG1 THR 95 11.163 -2.199 -13.553 761 HG21 THR 95 HG21 THR 95 8.395 -1.320 -11.529 762 HG22 THR 95 HG22 THR 95 7.461 -2.761 -11.934 763 HG23 THR 95 HG23 THR 95 7.716 -1.506 -13.148 764 H GLY 96 H GLY 96 8.999 -3.586 -9.298 765 HA2 GLY 96 HA2 GLY 96 9.239 -2.489 -7.294 766 HA3 GLY 96 HA3 GLY 96 10.854 -2.044 -7.825 767 H GLY 97 H GLY 97 7.647 -1.236 -9.122 768 HA2 GLY 97 HA2 GLY 97 7.094 1.193 -8.255 769 HA3 GLY 97 HA3 GLY 97 8.464 1.539 -9.308 Start of MODEL 11 1 H MET 1 H MET 1 -14.334 -18.032 36.872 2 HA MET 1 HA MET 1 -12.271 -17.635 37.986 3 HB2 MET 1 HB2 MET 1 -13.037 -20.118 39.526 4 HB3 MET 1 HB3 MET 1 -11.400 -19.485 39.483 5 HG2 MET 1 HG2 MET 1 -12.213 -17.389 40.479 6 HG3 MET 1 HG3 MET 1 -13.832 -18.078 40.566 7 HE1 MET 1 HE1 MET 1 -14.445 -20.210 42.077 8 HE2 MET 1 HE2 MET 1 -13.279 -21.048 43.101 9 HE3 MET 1 HE3 MET 1 -13.134 -21.136 41.347 10 H SER 2 H SER 2 -10.522 -18.279 36.883 11 HA SER 2 HA SER 2 -10.558 -20.885 35.569 12 HB2 SER 2 HB2 SER 2 -11.339 -19.107 33.960 13 HB3 SER 2 HB3 SER 2 -9.774 -18.320 34.161 14 HG SER 2 HG SER 2 -10.080 -19.831 32.316 15 H ASP 3 H ASP 3 -8.244 -21.111 34.472 16 HA ASP 3 HA ASP 3 -6.337 -20.675 36.643 17 HB2 ASP 3 HB2 ASP 3 -6.649 -22.943 35.642 18 HB3 ASP 3 HB3 ASP 3 -6.041 -22.317 34.116 19 H GLN 4 H GLN 4 -7.250 -18.619 34.638 20 HA GLN 4 HA GLN 4 -4.605 -17.859 33.600 21 HB2 GLN 4 HB2 GLN 4 -5.733 -16.735 31.736 22 HB3 GLN 4 HB3 GLN 4 -6.090 -18.457 31.753 23 HG2 GLN 4 HG2 GLN 4 -8.258 -18.004 32.769 24 HG3 GLN 4 HG3 GLN 4 -7.903 -16.278 32.770 25 HE21 GLN 4 HE21 GLN 4 -9.655 -15.801 31.478 26 HE22 GLN 4 HE22 GLN 4 -9.706 -16.200 29.797 27 H GLU 5 H GLU 5 -4.287 -15.513 33.432 28 HA GLU 5 HA GLU 5 -5.768 -14.132 35.548 29 HB2 GLU 5 HB2 GLU 5 -2.978 -14.308 34.944 30 HB3 GLU 5 HB3 GLU 5 -3.494 -12.633 34.802 31 HG2 GLU 5 HG2 GLU 5 -3.812 -14.419 37.196 32 HG3 GLU 5 HG3 GLU 5 -2.717 -13.044 37.023 33 H ALA 6 H ALA 6 -6.051 -11.809 35.222 34 HA ALA 6 HA ALA 6 -7.066 -11.331 32.560 35 HB1 ALA 6 HB1 ALA 6 -8.467 -10.810 34.457 36 HB2 ALA 6 HB2 ALA 6 -8.064 -9.328 33.580 37 HB3 ALA 6 HB3 ALA 6 -7.234 -9.726 35.089 38 H LYS 7 H LYS 7 -5.424 -10.862 31.229 39 HA LYS 7 HA LYS 7 -3.234 -9.208 31.957 40 HB2 LYS 7 HB2 LYS 7 -2.762 -9.270 29.434 41 HB3 LYS 7 HB3 LYS 7 -2.724 -10.793 30.297 42 HG2 LYS 7 HG2 LYS 7 -3.839 -11.280 28.306 43 HG3 LYS 7 HG3 LYS 7 -5.131 -11.122 29.487 44 HD2 LYS 7 HD2 LYS 7 -5.774 -10.003 27.451 45 HD3 LYS 7 HD3 LYS 7 -5.495 -8.789 28.699 46 HE2 LYS 7 HE2 LYS 7 -3.365 -8.228 27.767 47 HE3 LYS 7 HE3 LYS 7 -3.442 -9.582 26.634 48 HZ1 LYS 7 HZ1 LYS 7 -3.965 -7.529 25.542 49 HZ2 LYS 7 HZ2 LYS 7 -5.167 -7.177 26.667 50 HZ3 LYS 7 HZ3 LYS 7 -5.364 -8.481 25.601 51 HA PRO 8 HA PRO 8 -4.816 -5.173 31.253 52 HB2 PRO 8 HB2 PRO 8 -2.631 -3.889 30.244 53 HB3 PRO 8 HB3 PRO 8 -2.781 -4.340 31.945 54 HG2 PRO 8 HG2 PRO 8 -1.333 -5.753 29.736 55 HG3 PRO 8 HG3 PRO 8 -0.794 -5.424 31.393 56 HD2 PRO 8 HD2 PRO 8 -1.746 -7.829 30.666 57 HD3 PRO 8 HD3 PRO 8 -2.053 -7.154 32.279 58 H SER 9 H SER 9 -4.129 -3.336 29.310 59 HA SER 9 HA SER 9 -4.462 -4.570 26.719 60 HB2 SER 9 HB2 SER 9 -6.564 -2.692 27.829 61 HB3 SER 9 HB3 SER 9 -6.503 -3.308 26.177 62 HG SER 9 HG SER 9 -6.394 -5.234 28.147 63 H THR 10 H THR 10 -3.908 -3.195 25.015 64 HA THR 10 HA THR 10 -2.528 -0.777 25.904 65 HB THR 10 HB THR 10 -1.001 -2.332 24.883 66 HG1 THR 10 HG1 THR 10 -0.251 -0.472 24.182 67 HG21 THR 10 HG21 THR 10 -2.834 -2.287 22.488 68 HG22 THR 10 HG22 THR 10 -2.584 -3.646 23.583 69 HG23 THR 10 HG23 THR 10 -1.261 -3.087 22.556 70 H GLU 11 H GLU 11 -3.359 1.114 25.413 71 HA GLU 11 HA GLU 11 -5.066 1.358 23.027 72 HB2 GLU 11 HB2 GLU 11 -5.424 2.732 25.698 73 HB3 GLU 11 HB3 GLU 11 -6.354 3.096 24.256 74 HG2 GLU 11 HG2 GLU 11 -7.166 0.743 24.274 75 HG3 GLU 11 HG3 GLU 11 -6.353 0.533 25.826 76 H ASP 12 H ASP 12 -5.404 4.055 22.970 77 HA ASP 12 HA ASP 12 -2.809 4.966 22.145 78 HB2 ASP 12 HB2 ASP 12 -3.956 6.926 21.315 79 HB3 ASP 12 HB3 ASP 12 -4.900 5.504 20.886 80 H LEU 13 H LEU 13 -2.939 7.691 22.785 81 HA LEU 13 HA LEU 13 -2.967 7.818 25.679 82 HB2 LEU 13 HB2 LEU 13 -0.676 8.507 25.918 83 HB3 LEU 13 HB3 LEU 13 -0.721 6.948 25.129 84 HG LEU 13 HG LEU 13 -0.307 9.552 23.643 85 HD11 LEU 13 HD11 LEU 13 1.744 7.569 24.612 86 HD12 LEU 13 HD12 LEU 13 1.510 9.204 25.229 87 HD13 LEU 13 HD13 LEU 13 2.060 8.955 23.571 88 HD21 LEU 13 HD21 LEU 13 0.156 6.677 22.841 89 HD22 LEU 13 HD22 LEU 13 0.547 8.093 21.865 90 HD23 LEU 13 HD23 LEU 13 -1.133 7.725 22.250 91 H GLY 14 H GLY 14 -3.116 9.896 26.488 92 HA2 GLY 14 HA2 GLY 14 -3.900 11.917 24.533 93 HA3 GLY 14 HA3 GLY 14 -4.152 11.995 26.275 94 H ASP 15 H ASP 15 -1.436 11.662 24.081 95 HA ASP 15 HA ASP 15 -0.021 13.744 25.620 96 HB2 ASP 15 HB2 ASP 15 0.755 11.333 26.033 97 HB3 ASP 15 HB3 ASP 15 1.362 11.374 24.382 98 H LYS 16 H LYS 16 0.252 11.821 22.644 99 HA LYS 16 HA LYS 16 0.558 14.317 21.154 100 HB2 LYS 16 HB2 LYS 16 2.243 11.836 20.903 101 HB3 LYS 16 HB3 LYS 16 2.134 13.047 19.636 102 HG2 LYS 16 HG2 LYS 16 3.141 13.507 22.442 103 HG3 LYS 16 HG3 LYS 16 4.135 13.357 20.992 104 HD2 LYS 16 HD2 LYS 16 2.086 15.513 21.528 105 HD3 LYS 16 HD3 LYS 16 3.835 15.703 21.617 106 HE2 LYS 16 HE2 LYS 16 4.050 15.268 19.247 107 HE3 LYS 16 HE3 LYS 16 2.330 14.909 19.120 108 HZ1 LYS 16 HZ1 LYS 16 3.487 17.540 19.848 109 HZ2 LYS 16 HZ2 LYS 16 1.838 17.188 19.707 110 HZ3 LYS 16 HZ3 LYS 16 2.829 17.132 18.346 111 H LYS 17 H LYS 17 -1.341 14.375 20.181 112 HA LYS 17 HA LYS 17 -2.314 11.972 18.865 113 HB2 LYS 17 HB2 LYS 17 -3.588 14.236 20.082 114 HB3 LYS 17 HB3 LYS 17 -4.113 14.086 18.409 115 HG2 LYS 17 HG2 LYS 17 -5.587 12.858 19.871 116 HG3 LYS 17 HG3 LYS 17 -4.709 11.758 18.809 117 HD2 LYS 17 HD2 LYS 17 -3.019 11.752 20.854 118 HD3 LYS 17 HD3 LYS 17 -4.490 12.151 21.739 119 HE2 LYS 17 HE2 LYS 17 -4.084 9.782 19.928 120 HE3 LYS 17 HE3 LYS 17 -4.096 9.747 21.690 121 HZ1 LYS 17 HZ1 LYS 17 -6.438 10.753 21.417 122 HZ2 LYS 17 HZ2 LYS 17 -6.219 9.104 21.170 123 HZ3 LYS 17 HZ3 LYS 17 -6.358 10.143 19.837 124 H GLU 18 H GLU 18 -1.639 11.619 16.929 125 HA GLU 18 HA GLU 18 -0.783 13.776 15.198 126 HB2 GLU 18 HB2 GLU 18 -0.879 10.820 14.616 127 HB3 GLU 18 HB3 GLU 18 0.059 12.043 13.768 128 HG2 GLU 18 HG2 GLU 18 1.325 12.436 15.879 129 HG3 GLU 18 HG3 GLU 18 0.467 11.065 16.582 130 H GLY 19 H GLY 19 -3.588 13.530 15.927 131 HA2 GLY 19 HA2 GLY 19 -5.433 14.210 14.621 132 HA3 GLY 19 HA3 GLY 19 -4.696 13.421 13.230 133 H GLU 20 H GLU 20 -6.205 12.003 12.621 134 HA GLU 20 HA GLU 20 -6.956 9.961 14.572 135 HB2 GLU 20 HB2 GLU 20 -8.756 11.223 12.496 136 HB3 GLU 20 HB3 GLU 20 -9.165 9.787 13.420 137 HG2 GLU 20 HG2 GLU 20 -8.945 11.141 15.496 138 HG3 GLU 20 HG3 GLU 20 -8.719 12.565 14.481 139 H TYR 21 H TYR 21 -7.568 7.916 13.498 140 HA TYR 21 HA TYR 21 -5.838 7.543 11.171 141 HB2 TYR 21 HB2 TYR 21 -7.006 5.360 12.884 142 HB3 TYR 21 HB3 TYR 21 -5.654 5.267 11.761 143 HD1 TYR 21 HD1 TYR 21 -4.082 7.674 12.643 144 HD2 TYR 21 HD2 TYR 21 -6.084 4.673 14.904 145 HE1 TYR 21 HE1 TYR 21 -2.533 8.054 14.520 146 HE2 TYR 21 HE2 TYR 21 -4.551 5.052 16.781 147 HH TYR 21 HH TYR 21 -2.430 7.722 16.923 148 H ILE 22 H ILE 22 -6.637 6.831 9.259 149 HA ILE 22 HA ILE 22 -9.525 6.348 9.171 150 HB ILE 22 HB ILE 22 -9.307 6.807 6.743 151 HG12 ILE 22 HG12 ILE 22 -6.682 8.123 7.210 152 HG13 ILE 22 HG13 ILE 22 -6.699 6.375 6.989 153 HG21 ILE 22 HG21 ILE 22 -8.447 9.022 8.600 154 HG22 ILE 22 HG22 ILE 22 -10.103 8.541 8.222 155 HG23 ILE 22 HG23 ILE 22 -9.086 9.251 6.970 156 HD11 ILE 22 HD11 ILE 22 -7.871 6.663 4.886 157 HD12 ILE 22 HD12 ILE 22 -6.306 7.485 4.902 158 HD13 ILE 22 HD13 ILE 22 -7.799 8.418 5.088 159 H LYS 23 H LYS 23 -10.243 4.660 7.818 160 HA LYS 23 HA LYS 23 -8.303 2.467 7.619 161 HB2 LYS 23 HB2 LYS 23 -10.223 0.980 7.616 162 HB3 LYS 23 HB3 LYS 23 -10.330 2.069 8.994 163 HG2 LYS 23 HG2 LYS 23 -11.877 3.489 7.688 164 HG3 LYS 23 HG3 LYS 23 -11.838 2.282 6.406 165 HD2 LYS 23 HD2 LYS 23 -12.708 0.616 7.983 166 HD3 LYS 23 HD3 LYS 23 -12.789 1.864 9.231 167 HE2 LYS 23 HE2 LYS 23 -14.261 3.172 7.715 168 HE3 LYS 23 HE3 LYS 23 -14.274 1.787 6.624 169 HZ1 LYS 23 HZ1 LYS 23 -16.218 1.787 8.038 170 HZ2 LYS 23 HZ2 LYS 23 -15.254 1.810 9.423 171 HZ3 LYS 23 HZ3 LYS 23 -15.238 0.460 8.411 172 H LEU 24 H LEU 24 -8.055 1.389 5.704 173 HA LEU 24 HA LEU 24 -9.639 2.244 3.426 174 HB2 LEU 24 HB2 LEU 24 -6.629 2.139 3.224 175 HB3 LEU 24 HB3 LEU 24 -7.767 2.657 2.010 176 HG LEU 24 HG LEU 24 -8.346 4.499 3.796 177 HD11 LEU 24 HD11 LEU 24 -5.500 3.790 4.468 178 HD12 LEU 24 HD12 LEU 24 -6.893 3.588 5.527 179 HD13 LEU 24 HD13 LEU 24 -6.380 5.203 5.042 180 HD21 LEU 24 HD21 LEU 24 -5.886 4.536 2.069 181 HD22 LEU 24 HD22 LEU 24 -6.710 5.953 2.719 182 HD23 LEU 24 HD23 LEU 24 -7.528 4.913 1.552 183 H LYS 25 H LYS 25 -8.691 0.881 1.431 184 HA LYS 25 HA LYS 25 -8.103 -1.839 2.275 185 HB2 LYS 25 HB2 LYS 25 -10.500 -1.839 2.346 186 HB3 LYS 25 HB3 LYS 25 -10.593 -1.010 0.804 187 HG2 LYS 25 HG2 LYS 25 -9.140 -3.457 0.477 188 HG3 LYS 25 HG3 LYS 25 -10.671 -3.781 1.292 189 HD2 LYS 25 HD2 LYS 25 -10.310 -2.296 -1.310 190 HD3 LYS 25 HD3 LYS 25 -10.931 -3.939 -1.124 191 HE2 LYS 25 HE2 LYS 25 -12.792 -3.045 0.227 192 HE3 LYS 25 HE3 LYS 25 -12.185 -1.418 -0.047 193 HZ1 LYS 25 HZ1 LYS 25 -12.582 -1.718 -2.426 194 HZ2 LYS 25 HZ2 LYS 25 -14.001 -1.942 -1.545 195 HZ3 LYS 25 HZ3 LYS 25 -13.170 -3.273 -2.149 196 H VAL 26 H VAL 26 -7.031 -2.970 0.735 197 HA VAL 26 HA VAL 26 -6.753 -1.761 -1.910 198 HB VAL 26 HB VAL 26 -4.395 -1.717 -1.951 199 HG11 VAL 26 HG11 VAL 26 -5.381 0.103 -0.605 200 HG12 VAL 26 HG12 VAL 26 -3.719 -0.277 -0.152 201 HG13 VAL 26 HG13 VAL 26 -5.060 -0.842 0.846 202 HG21 VAL 26 HG21 VAL 26 -4.303 -3.129 0.692 203 HG22 VAL 26 HG22 VAL 26 -2.930 -2.684 -0.325 204 HG23 VAL 26 HG23 VAL 26 -4.084 -3.902 -0.873 205 H ILE 27 H ILE 27 -6.461 -3.223 -3.553 206 HA ILE 27 HA ILE 27 -6.396 -6.057 -2.741 207 HB ILE 27 HB ILE 27 -7.846 -4.881 -5.115 208 HG12 ILE 27 HG12 ILE 27 -9.141 -6.006 -2.669 209 HG13 ILE 27 HG13 ILE 27 -8.676 -4.310 -2.736 210 HG21 ILE 27 HG21 ILE 27 -7.909 -7.639 -3.882 211 HG22 ILE 27 HG22 ILE 27 -7.161 -7.204 -5.420 212 HG23 ILE 27 HG23 ILE 27 -8.911 -7.096 -5.228 213 HD11 ILE 27 HD11 ILE 27 -10.097 -4.028 -4.712 214 HD12 ILE 27 HD12 ILE 27 -11.007 -4.590 -3.313 215 HD13 ILE 27 HD13 ILE 27 -10.577 -5.721 -4.598 216 H GLY 28 H GLY 28 -5.027 -7.345 -3.821 217 HA2 GLY 28 HA2 GLY 28 -3.495 -6.067 -5.978 218 HA3 GLY 28 HA3 GLY 28 -2.818 -7.264 -4.874 219 H GLN 29 H GLN 29 -2.472 -7.660 -7.484 220 HA GLN 29 HA GLN 29 -4.511 -9.114 -8.796 221 HB2 GLN 29 HB2 GLN 29 -2.894 -9.630 -10.447 222 HB3 GLN 29 HB3 GLN 29 -2.495 -8.031 -9.851 223 HG2 GLN 29 HG2 GLN 29 -1.109 -10.590 -9.096 224 HG3 GLN 29 HG3 GLN 29 -0.503 -9.378 -10.220 225 HE21 GLN 29 HE21 GLN 29 -0.858 -10.310 -6.958 226 HE22 GLN 29 HE22 GLN 29 0.006 -8.990 -6.242 227 H ASP 30 H ASP 30 -2.907 -9.921 -6.079 228 HA ASP 30 HA ASP 30 -2.547 -12.758 -6.540 229 HB2 ASP 30 HB2 ASP 30 -1.054 -11.445 -5.017 230 HB3 ASP 30 HB3 ASP 30 -2.433 -11.142 -3.971 231 H SER 31 H SER 31 -5.150 -10.825 -6.215 232 HA SER 31 HA SER 31 -7.339 -11.087 -5.712 233 HB2 SER 31 HB2 SER 31 -6.664 -14.007 -5.240 234 HB3 SER 31 HB3 SER 31 -8.274 -13.338 -5.501 235 HG SER 31 HG SER 31 -7.289 -12.533 -7.567 236 H SER 32 H SER 32 -5.124 -10.775 -3.695 237 HA SER 32 HA SER 32 -6.695 -11.390 -1.302 238 HB2 SER 32 HB2 SER 32 -3.706 -10.993 -1.587 239 HB3 SER 32 HB3 SER 32 -4.556 -11.328 -0.076 240 HG SER 32 HG SER 32 -3.721 -13.040 -2.005 241 H GLU 33 H GLU 33 -7.353 -9.713 -0.141 242 HA GLU 33 HA GLU 33 -6.223 -7.065 -0.746 243 HB2 GLU 33 HB2 GLU 33 -8.382 -6.094 -0.252 244 HB3 GLU 33 HB3 GLU 33 -8.589 -7.381 -1.429 245 HG2 GLU 33 HG2 GLU 33 -9.037 -7.819 1.506 246 HG3 GLU 33 HG3 GLU 33 -10.301 -7.217 0.438 247 H ILE 34 H ILE 34 -6.338 -5.510 1.042 248 HA ILE 34 HA ILE 34 -6.375 -6.753 3.683 249 HB ILE 34 HB ILE 34 -3.993 -6.718 3.036 250 HG12 ILE 34 HG12 ILE 34 -4.444 -4.605 5.115 251 HG13 ILE 34 HG13 ILE 34 -4.918 -6.275 5.405 252 HG21 ILE 34 HG21 ILE 34 -3.961 -4.858 1.536 253 HG22 ILE 34 HG22 ILE 34 -2.843 -4.542 2.864 254 HG23 ILE 34 HG23 ILE 34 -4.421 -3.751 2.828 255 HD11 ILE 34 HD11 ILE 34 -2.152 -5.335 4.731 256 HD12 ILE 34 HD12 ILE 34 -2.650 -6.984 5.125 257 HD13 ILE 34 HD13 ILE 34 -2.746 -5.720 6.348 258 H HIS 35 H HIS 35 -7.148 -5.504 5.283 259 HA HIS 35 HA HIS 35 -7.975 -2.754 4.605 260 HB2 HIS 35 HB2 HIS 35 -9.073 -4.619 6.728 261 HB3 HIS 35 HB3 HIS 35 -9.621 -2.981 6.450 262 HD1 HIS 35 HD1 HIS 35 -11.934 -4.514 6.283 263 HD2 HIS 35 HD2 HIS 35 -9.313 -4.599 3.062 264 HE1 HIS 35 HE1 HIS 35 -13.279 -5.364 4.347 265 HE2 HIS 35 HE2 HIS 35 -11.718 -5.283 2.381 266 H PHE 36 H PHE 36 -7.078 -1.145 5.782 267 HA PHE 36 HA PHE 36 -5.762 -1.832 8.299 268 HB2 PHE 36 HB2 PHE 36 -3.739 -0.444 7.550 269 HB3 PHE 36 HB3 PHE 36 -3.879 -2.066 6.897 270 HD1 PHE 36 HD1 PHE 36 -4.439 1.507 6.114 271 HD2 PHE 36 HD2 PHE 36 -3.991 -2.447 4.624 272 HE1 PHE 36 HE1 PHE 36 -4.273 2.390 3.827 273 HE2 PHE 36 HE2 PHE 36 -3.819 -1.572 2.345 274 HZ PHE 36 HZ PHE 36 -3.968 0.851 1.939 275 HH31 ALY 37 HH31 ALY 37 -4.046 -0.146 13.348 276 HH32 ALY 37 HH32 ALY 37 -3.700 -0.435 15.066 277 HH33 ALY 37 HH33 ALY 37 -4.117 1.192 14.487 278 HZ ALY 37 HZ ALY 37 -6.381 1.404 13.557 279 HE3 ALY 37 HE3 ALY 37 -7.719 -0.987 12.899 280 HE2 ALY 37 HE2 ALY 37 -8.510 -0.231 14.277 281 HD3 ALY 37 HD3 ALY 37 -9.671 0.535 12.356 282 HD2 ALY 37 HD2 ALY 37 -8.659 1.877 12.881 283 HG3 ALY 37 HG3 ALY 37 -7.834 -0.053 10.708 284 HG2 ALY 37 HG2 ALY 37 -8.711 1.441 10.387 285 HB3 ALY 37 HB3 ALY 37 -6.891 2.711 11.447 286 HB2 ALY 37 HB2 ALY 37 -6.015 1.210 11.705 287 HCA ALY 37 HCA ALY 37 -6.740 2.377 9.006 288 H ALY 37 H ALY 37 -5.221 -0.060 9.618 289 H VAL 38 H VAL 38 -5.315 3.806 8.247 290 HA VAL 38 HA VAL 38 -2.720 4.007 9.623 291 HB VAL 38 HB VAL 38 -1.826 5.090 7.596 292 HG11 VAL 38 HG11 VAL 38 -1.736 3.080 6.184 293 HG12 VAL 38 HG12 VAL 38 -3.047 2.379 7.133 294 HG13 VAL 38 HG13 VAL 38 -1.497 2.719 7.893 295 HG21 VAL 38 HG21 VAL 38 -4.494 4.391 6.375 296 HG22 VAL 38 HG22 VAL 38 -3.090 4.992 5.492 297 HG23 VAL 38 HG23 VAL 38 -3.884 6.016 6.690 298 H LYS 39 H LYS 39 -1.821 6.370 9.069 299 HA LYS 39 HA LYS 39 -3.677 8.099 10.509 300 HB2 LYS 39 HB2 LYS 39 -0.798 8.642 9.777 301 HB3 LYS 39 HB3 LYS 39 -1.762 9.462 10.999 302 HG2 LYS 39 HG2 LYS 39 -1.797 7.502 12.374 303 HG3 LYS 39 HG3 LYS 39 -1.016 6.550 11.115 304 HD2 LYS 39 HD2 LYS 39 0.965 8.049 11.301 305 HD3 LYS 39 HD3 LYS 39 0.181 8.842 12.670 306 HE2 LYS 39 HE2 LYS 39 0.100 6.688 13.852 307 HE3 LYS 39 HE3 LYS 39 0.908 5.918 12.490 308 HZ1 LYS 39 HZ1 LYS 39 2.037 8.082 14.179 309 HZ2 LYS 39 HZ2 LYS 39 2.829 7.337 12.880 310 HZ3 LYS 39 HZ3 LYS 39 2.453 6.443 14.266 311 H MET 40 H MET 40 -3.937 10.353 9.825 312 HA MET 40 HA MET 40 -4.732 10.711 7.179 313 HB2 MET 40 HB2 MET 40 -5.448 12.155 9.044 314 HB3 MET 40 HB3 MET 40 -3.822 12.802 9.164 315 HG2 MET 40 HG2 MET 40 -5.088 14.430 8.044 316 HG3 MET 40 HG3 MET 40 -4.108 13.651 6.806 317 HE1 MET 40 HE1 MET 40 -5.055 12.889 4.608 318 HE2 MET 40 HE2 MET 40 -6.581 12.018 4.451 319 HE3 MET 40 HE3 MET 40 -5.296 11.363 5.459 320 H THR 41 H THR 41 -1.761 11.513 8.768 321 HA THR 41 HA THR 41 -0.501 11.705 6.118 322 HB THR 41 HB THR 41 1.099 13.347 7.088 323 HG1 THR 41 HG1 THR 41 0.696 12.668 9.320 324 HG21 THR 41 HG21 THR 41 -1.818 14.095 7.350 325 HG22 THR 41 HG22 THR 41 -0.899 14.091 5.848 326 HG23 THR 41 HG23 THR 41 -0.482 15.232 7.134 327 H THR 42 H THR 42 0.841 10.076 5.795 328 HA THR 42 HA THR 42 2.898 9.354 7.564 329 HB THR 42 HB THR 42 0.919 8.276 8.738 330 HG1 THR 42 HG1 THR 42 3.165 7.439 8.785 331 HG21 THR 42 HG21 THR 42 -0.033 6.240 7.746 332 HG22 THR 42 HG22 THR 42 0.909 6.515 6.279 333 HG23 THR 42 HG23 THR 42 -0.363 7.651 6.737 334 H HIS 43 H HIS 43 3.939 7.231 6.697 335 HA HIS 43 HA HIS 43 3.955 7.444 3.792 336 HB2 HIS 43 HB2 HIS 43 5.743 5.917 5.686 337 HB3 HIS 43 HB3 HIS 43 5.946 5.962 3.938 338 HD1 HIS 43 HD1 HIS 43 7.492 7.313 6.688 339 HD2 HIS 43 HD2 HIS 43 5.922 9.032 3.251 340 HE1 HIS 43 HE1 HIS 43 8.639 9.544 6.468 341 HE2 HIS 43 HE2 HIS 43 7.782 10.498 4.298 342 H LEU 44 H LEU 44 2.930 6.058 2.518 343 HA LEU 44 HA LEU 44 1.289 4.017 3.536 344 HB2 LEU 44 HB2 LEU 44 2.235 4.428 0.707 345 HB3 LEU 44 HB3 LEU 44 0.928 3.364 1.186 346 HG LEU 44 HG LEU 44 1.002 6.368 1.307 347 HD11 LEU 44 HD11 LEU 44 -1.030 6.130 -0.092 348 HD12 LEU 44 HD12 LEU 44 -0.724 4.393 -0.164 349 HD13 LEU 44 HD13 LEU 44 0.443 5.526 -0.846 350 HD21 LEU 44 HD21 LEU 44 -1.056 4.492 2.476 351 HD22 LEU 44 HD22 LEU 44 -1.286 6.225 2.261 352 HD23 LEU 44 HD23 LEU 44 -0.041 5.632 3.361 353 H LYS 45 H LYS 45 4.604 3.936 3.047 354 HA LYS 45 HA LYS 45 5.084 1.331 2.210 355 HB2 LYS 45 HB2 LYS 45 6.763 3.194 2.545 356 HB3 LYS 45 HB3 LYS 45 6.686 2.865 4.264 357 HG2 LYS 45 HG2 LYS 45 7.348 0.654 2.387 358 HG3 LYS 45 HG3 LYS 45 8.586 1.841 2.776 359 HD2 LYS 45 HD2 LYS 45 7.061 0.150 4.760 360 HD3 LYS 45 HD3 LYS 45 8.719 -0.130 4.227 361 HE2 LYS 45 HE2 LYS 45 9.367 2.056 5.155 362 HE3 LYS 45 HE3 LYS 45 7.718 2.300 5.718 363 HZ1 LYS 45 HZ1 LYS 45 7.968 0.291 7.092 364 HZ2 LYS 45 HZ2 LYS 45 9.061 1.517 7.506 365 HZ3 LYS 45 HZ3 LYS 45 9.590 0.184 6.614 366 H LYS 46 H LYS 46 3.994 2.603 5.274 367 HA LYS 46 HA LYS 46 4.492 0.462 6.958 368 HB2 LYS 46 HB2 LYS 46 3.813 2.562 7.851 369 HB3 LYS 46 HB3 LYS 46 2.339 2.569 6.897 370 HG2 LYS 46 HG2 LYS 46 2.717 0.361 8.799 371 HG3 LYS 46 HG3 LYS 46 2.379 1.961 9.470 372 HD2 LYS 46 HD2 LYS 46 0.368 2.071 8.013 373 HD3 LYS 46 HD3 LYS 46 0.706 0.429 7.467 374 HE2 LYS 46 HE2 LYS 46 0.144 1.276 10.301 375 HE3 LYS 46 HE3 LYS 46 -0.990 0.469 9.218 376 HZ1 LYS 46 HZ1 LYS 46 0.516 -1.448 9.156 377 HZ2 LYS 46 HZ2 LYS 46 0.007 -1.108 10.726 378 HZ3 LYS 46 HZ3 LYS 46 1.564 -0.665 10.233 379 H LEU 47 H LEU 47 1.686 1.129 4.878 380 HA LEU 47 HA LEU 47 0.260 -1.190 5.681 381 HB2 LEU 47 HB2 LEU 47 -1.329 -0.670 4.035 382 HB3 LEU 47 HB3 LEU 47 -0.756 0.863 4.650 383 HG LEU 47 HG LEU 47 0.858 0.628 2.530 384 HD11 LEU 47 HD11 LEU 47 -1.673 -0.788 1.721 385 HD12 LEU 47 HD12 LEU 47 -0.063 -1.504 1.813 386 HD13 LEU 47 HD13 LEU 47 -0.401 -0.240 0.629 387 HD21 LEU 47 HD21 LEU 47 -1.961 1.645 2.589 388 HD22 LEU 47 HD22 LEU 47 -0.771 2.032 1.336 389 HD23 LEU 47 HD23 LEU 47 -0.487 2.525 3.008 390 H LYS 48 H LYS 48 2.656 -0.536 3.200 391 HA LYS 48 HA LYS 48 2.371 -2.876 1.673 392 HB2 LYS 48 HB2 LYS 48 4.646 -1.055 2.276 393 HB3 LYS 48 HB3 LYS 48 5.037 -2.636 1.625 394 HG2 LYS 48 HG2 LYS 48 4.949 -1.232 -0.216 395 HG3 LYS 48 HG3 LYS 48 3.405 -2.089 -0.245 396 HD2 LYS 48 HD2 LYS 48 2.261 -0.182 0.617 397 HD3 LYS 48 HD3 LYS 48 3.783 0.650 0.955 398 HE2 LYS 48 HE2 LYS 48 2.461 0.107 -1.673 399 HE3 LYS 48 HE3 LYS 48 3.079 1.628 -1.031 400 HZ1 LYS 48 HZ1 LYS 48 4.625 0.929 -2.672 401 HZ2 LYS 48 HZ2 LYS 48 4.635 -0.658 -2.101 402 HZ3 LYS 48 HZ3 LYS 48 5.362 0.553 -1.186 403 H GLU 49 H GLU 49 4.394 -2.264 4.526 404 HA GLU 49 HA GLU 49 5.384 -4.833 4.898 405 HB2 GLU 49 HB2 GLU 49 4.617 -2.891 7.071 406 HB3 GLU 49 HB3 GLU 49 5.818 -4.175 7.169 407 HG2 GLU 49 HG2 GLU 49 7.120 -3.031 5.441 408 HG3 GLU 49 HG3 GLU 49 5.952 -1.718 5.450 409 H SER 50 H SER 50 2.530 -3.294 6.250 410 HA SER 50 HA SER 50 1.578 -5.406 7.792 411 HB2 SER 50 HB2 SER 50 -0.174 -3.443 6.302 412 HB3 SER 50 HB3 SER 50 -0.515 -4.252 7.832 413 HG SER 50 HG SER 50 1.618 -2.402 7.432 414 H TYR 51 H TYR 51 1.308 -4.792 4.363 415 HA TYR 51 HA TYR 51 -0.702 -6.770 3.826 416 HB2 TYR 51 HB2 TYR 51 -0.069 -4.700 2.423 417 HB3 TYR 51 HB3 TYR 51 1.288 -5.654 1.853 418 HD1 TYR 51 HD1 TYR 51 0.183 -8.259 1.271 419 HD2 TYR 51 HD2 TYR 51 -1.594 -4.443 0.747 420 HE1 TYR 51 HE1 TYR 51 -1.212 -9.150 -0.571 421 HE2 TYR 51 HE2 TYR 51 -2.963 -5.332 -1.107 422 HH TYR 51 HH TYR 51 -3.586 -8.350 -1.650 423 H CYS 52 H CYS 52 2.792 -6.585 3.328 424 HA CYS 52 HA CYS 52 3.152 -9.212 2.377 425 HB2 CYS 52 HB2 CYS 52 4.817 -7.376 2.156 426 HB3 CYS 52 HB3 CYS 52 5.165 -7.513 3.872 427 HG CYS 52 HG CYS 52 5.734 -9.894 1.492 428 H GLN 53 H GLN 53 3.100 -7.901 5.615 429 HA GLN 53 HA GLN 53 3.994 -10.285 6.914 430 HB2 GLN 53 HB2 GLN 53 2.570 -7.847 7.982 431 HB3 GLN 53 HB3 GLN 53 3.211 -9.138 8.988 432 HG2 GLN 53 HG2 GLN 53 4.952 -7.662 7.063 433 HG3 GLN 53 HG3 GLN 53 4.624 -7.002 8.666 434 HE21 GLN 53 HE21 GLN 53 6.214 -9.470 6.831 435 HE22 GLN 53 HE22 GLN 53 7.172 -10.112 8.115 436 H ARG 54 H ARG 54 0.874 -9.042 5.950 437 HA ARG 54 HA ARG 54 -0.555 -10.977 7.568 438 HB2 ARG 54 HB2 ARG 54 -1.313 -8.594 7.134 439 HB3 ARG 54 HB3 ARG 54 -1.687 -9.109 5.498 440 HG2 ARG 54 HG2 ARG 54 -3.685 -9.104 6.834 441 HG3 ARG 54 HG3 ARG 54 -3.263 -10.763 6.403 442 HD2 ARG 54 HD2 ARG 54 -2.381 -11.184 8.576 443 HD3 ARG 54 HD3 ARG 54 -2.482 -9.478 9.009 444 HE ARG 54 HE ARG 54 -5.017 -9.936 8.611 445 HH11 ARG 54 HH11 ARG 54 -2.713 -12.111 10.127 446 HH12 ARG 54 HH12 ARG 54 -3.879 -12.804 11.195 447 HH21 ARG 54 HH21 ARG 54 -6.565 -10.851 10.041 448 HH22 ARG 54 HH22 ARG 54 -6.072 -12.088 11.150 449 H GLN 55 H GLN 55 -0.211 -10.249 4.097 450 HA GLN 55 HA GLN 55 -1.589 -12.704 3.410 451 HB2 GLN 55 HB2 GLN 55 -0.562 -10.373 1.833 452 HB3 GLN 55 HB3 GLN 55 -1.013 -11.865 1.019 453 HG2 GLN 55 HG2 GLN 55 -2.872 -10.409 0.915 454 HG3 GLN 55 HG3 GLN 55 -3.266 -11.671 2.074 455 HE21 GLN 55 HE21 GLN 55 -1.178 -8.894 2.708 456 HE22 GLN 55 HE22 GLN 55 -2.246 -8.154 3.846 457 H GLY 56 H GLY 56 1.616 -11.758 3.946 458 HA2 GLY 56 HA2 GLY 56 3.610 -12.832 3.684 459 HA3 GLY 56 HA3 GLY 56 2.671 -14.312 3.540 460 H VAL 57 H VAL 57 2.848 -11.458 1.448 461 HA VAL 57 HA VAL 57 3.872 -13.179 -0.707 462 HB VAL 57 HB VAL 57 2.536 -11.717 -2.300 463 HG11 VAL 57 HG11 VAL 57 0.441 -12.942 -1.946 464 HG12 VAL 57 HG12 VAL 57 0.987 -13.400 -0.333 465 HG13 VAL 57 HG13 VAL 57 1.846 -13.991 -1.755 466 HG21 VAL 57 HG21 VAL 57 2.104 -9.877 -0.748 467 HG22 VAL 57 HG22 VAL 57 1.107 -10.943 0.240 468 HG23 VAL 57 HG23 VAL 57 0.603 -10.536 -1.402 469 HA PRO 58 HA PRO 58 7.060 -10.201 -1.301 470 HB2 PRO 58 HB2 PRO 58 7.327 -10.153 -4.012 471 HB3 PRO 58 HB3 PRO 58 7.907 -11.484 -3.004 472 HG2 PRO 58 HG2 PRO 58 5.378 -11.273 -4.589 473 HG3 PRO 58 HG3 PRO 58 6.492 -12.643 -4.441 474 HD2 PRO 58 HD2 PRO 58 4.191 -12.530 -3.068 475 HD3 PRO 58 HD3 PRO 58 5.654 -13.264 -2.381 476 H MET 59 H MET 59 6.364 -8.214 -0.708 477 HA MET 59 HA MET 59 4.442 -6.716 -2.197 478 HB2 MET 59 HB2 MET 59 5.833 -6.463 0.330 479 HB3 MET 59 HB3 MET 59 5.740 -4.929 -0.518 480 HG2 MET 59 HG2 MET 59 3.875 -5.270 1.049 481 HG3 MET 59 HG3 MET 59 3.332 -5.066 -0.611 482 HE1 MET 59 HE1 MET 59 1.384 -8.086 -1.416 483 HE2 MET 59 HE2 MET 59 2.997 -7.905 -2.076 484 HE3 MET 59 HE3 MET 59 1.979 -6.477 -1.839 485 H ASN 60 H ASN 60 7.669 -7.288 -2.736 486 HA ASN 60 HA ASN 60 8.228 -4.660 -3.850 487 HB2 ASN 60 HB2 ASN 60 9.920 -7.149 -3.629 488 HB3 ASN 60 HB3 ASN 60 10.448 -5.692 -4.454 489 HD21 ASN 60 HD21 ASN 60 8.502 -5.677 -1.549 490 HD22 ASN 60 HD22 ASN 60 9.715 -5.056 -0.492 491 H SER 61 H SER 61 7.863 -7.993 -5.007 492 HA SER 61 HA SER 61 8.291 -7.699 -7.695 493 HB2 SER 61 HB2 SER 61 6.076 -9.363 -6.472 494 HB3 SER 61 HB3 SER 61 6.816 -9.611 -8.054 495 HG SER 61 HG SER 61 7.957 -10.956 -6.831 496 H LEU 62 H LEU 62 5.452 -6.675 -5.923 497 HA LEU 62 HA LEU 62 4.422 -5.573 -8.424 498 HB2 LEU 62 HB2 LEU 62 2.166 -5.522 -7.145 499 HB3 LEU 62 HB3 LEU 62 2.710 -7.007 -7.871 500 HG LEU 62 HG LEU 62 1.617 -7.177 -5.612 501 HD11 LEU 62 HD11 LEU 62 3.123 -8.916 -4.824 502 HD12 LEU 62 HD12 LEU 62 4.359 -8.341 -5.943 503 HD13 LEU 62 HD13 LEU 62 2.848 -9.003 -6.564 504 HD21 LEU 62 HD21 LEU 62 2.979 -6.761 -3.651 505 HD22 LEU 62 HD22 LEU 62 2.694 -5.270 -4.542 506 HD23 LEU 62 HD23 LEU 62 4.255 -6.080 -4.652 507 H ARG 63 H ARG 63 2.995 -3.603 -8.054 508 HA ARG 63 HA ARG 63 4.150 -1.975 -5.911 509 HB2 ARG 63 HB2 ARG 63 4.206 -0.007 -7.378 510 HB3 ARG 63 HB3 ARG 63 5.276 -1.279 -7.938 511 HG2 ARG 63 HG2 ARG 63 2.531 -0.952 -9.094 512 HG3 ARG 63 HG3 ARG 63 3.882 0.033 -9.656 513 HD2 ARG 63 HD2 ARG 63 5.096 -2.227 -9.943 514 HD3 ARG 63 HD3 ARG 63 3.476 -2.920 -9.843 515 HE ARG 63 HE ARG 63 2.878 -1.698 -11.814 516 HH11 ARG 63 HH11 ARG 63 6.322 -1.771 -11.086 517 HH12 ARG 63 HH12 ARG 63 6.798 -1.285 -12.676 518 HH21 ARG 63 HH21 ARG 63 3.522 -1.059 -13.920 519 HH22 ARG 63 HH22 ARG 63 5.204 -0.894 -14.292 520 H PHE 64 H PHE 64 2.830 0.143 -5.684 521 HA PHE 64 HA PHE 64 0.035 -0.731 -5.583 522 HB2 PHE 64 HB2 PHE 64 1.637 0.933 -3.638 523 HB3 PHE 64 HB3 PHE 64 -0.119 0.856 -3.593 524 HD1 PHE 64 HD1 PHE 64 2.693 -1.616 -3.868 525 HD2 PHE 64 HD2 PHE 64 -0.955 -0.523 -1.966 526 HE1 PHE 64 HE1 PHE 64 2.825 -3.634 -2.471 527 HE2 PHE 64 HE2 PHE 64 -0.828 -2.544 -0.565 528 HZ PHE 64 HZ PHE 64 1.063 -4.101 -0.817 529 H LEU 65 H LEU 65 -1.244 0.340 -6.816 530 HA LEU 65 HA LEU 65 -0.630 3.150 -7.473 531 HB2 LEU 65 HB2 LEU 65 -1.983 1.204 -9.324 532 HB3 LEU 65 HB3 LEU 65 -1.490 2.838 -9.688 533 HG LEU 65 HG LEU 65 0.366 0.500 -9.203 534 HD11 LEU 65 HD11 LEU 65 -0.246 2.052 -11.710 535 HD12 LEU 65 HD12 LEU 65 -0.783 0.412 -11.349 536 HD13 LEU 65 HD13 LEU 65 0.936 0.751 -11.553 537 HD21 LEU 65 HD21 LEU 65 1.002 3.361 -9.924 538 HD22 LEU 65 HD22 LEU 65 2.162 2.033 -9.844 539 HD23 LEU 65 HD23 LEU 65 1.346 2.579 -8.380 540 H PHE 66 H PHE 66 -2.208 4.536 -7.269 541 HA PHE 66 HA PHE 66 -4.843 3.520 -6.425 542 HB2 PHE 66 HB2 PHE 66 -3.899 4.820 -4.660 543 HB3 PHE 66 HB3 PHE 66 -3.373 6.078 -5.759 544 HD1 PHE 66 HD1 PHE 66 -6.710 4.446 -5.567 545 HD2 PHE 66 HD2 PHE 66 -4.419 7.976 -4.932 546 HE1 PHE 66 HE1 PHE 66 -8.765 5.696 -5.145 547 HE2 PHE 66 HE2 PHE 66 -6.483 9.241 -4.492 548 HZ PHE 66 HZ PHE 66 -8.662 8.100 -4.601 549 H GLU 67 H GLU 67 -6.067 3.443 -8.189 550 HA GLU 67 HA GLU 67 -7.035 3.961 -10.178 551 HB2 GLU 67 HB2 GLU 67 -8.267 6.059 -10.203 552 HB3 GLU 67 HB3 GLU 67 -8.295 5.383 -8.592 553 HG2 GLU 67 HG2 GLU 67 -6.749 6.987 -7.791 554 HG3 GLU 67 HG3 GLU 67 -6.379 7.533 -9.425 555 H GLY 68 H GLY 68 -4.172 4.120 -10.251 556 HA2 GLY 68 HA2 GLY 68 -2.937 4.511 -12.285 557 HA3 GLY 68 HA3 GLY 68 -3.870 5.980 -12.514 558 H GLN 69 H GLN 69 -3.137 5.955 -9.316 559 HA GLN 69 HA GLN 69 -0.996 7.868 -9.677 560 HB2 GLN 69 HB2 GLN 69 -2.612 6.962 -7.322 561 HB3 GLN 69 HB3 GLN 69 -1.171 7.940 -7.094 562 HG2 GLN 69 HG2 GLN 69 -3.681 8.665 -8.570 563 HG3 GLN 69 HG3 GLN 69 -3.072 9.358 -7.070 564 HE21 GLN 69 HE21 GLN 69 -1.106 10.591 -7.177 565 HE22 GLN 69 HE22 GLN 69 -0.711 11.444 -8.620 566 H ARG 70 H ARG 70 1.053 7.675 -8.924 567 HA ARG 70 HA ARG 70 2.015 4.963 -8.574 568 HB2 ARG 70 HB2 ARG 70 3.179 6.243 -10.206 569 HB3 ARG 70 HB3 ARG 70 3.323 7.613 -9.115 570 HG2 ARG 70 HG2 ARG 70 5.458 6.449 -9.408 571 HG3 ARG 70 HG3 ARG 70 4.902 6.385 -7.736 572 HD2 ARG 70 HD2 ARG 70 5.752 4.231 -8.310 573 HD3 ARG 70 HD3 ARG 70 4.001 4.106 -8.200 574 HE ARG 70 HE ARG 70 4.028 4.261 -10.707 575 HH11 ARG 70 HH11 ARG 70 6.842 3.094 -8.954 576 HH12 ARG 70 HH12 ARG 70 7.378 2.062 -10.229 577 HH21 ARG 70 HH21 ARG 70 4.749 2.883 -12.418 578 HH22 ARG 70 HH22 ARG 70 6.205 1.961 -12.212 579 H ILE 71 H ILE 71 2.116 4.207 -6.531 580 HA ILE 71 HA ILE 71 2.954 6.103 -4.449 581 HB ILE 71 HB ILE 71 1.338 3.554 -4.152 582 HG12 ILE 71 HG12 ILE 71 -0.266 5.222 -3.006 583 HG13 ILE 71 HG13 ILE 71 0.688 6.479 -3.776 584 HG21 ILE 71 HG21 ILE 71 2.967 3.751 -2.339 585 HG22 ILE 71 HG22 ILE 71 1.319 3.969 -1.753 586 HG23 ILE 71 HG23 ILE 71 2.372 5.372 -1.973 587 HD11 ILE 71 HD11 ILE 71 0.127 5.549 -5.967 588 HD12 ILE 71 HD12 ILE 71 -1.313 5.982 -5.051 589 HD13 ILE 71 HD13 ILE 71 -0.829 4.293 -5.183 590 H ALA 72 H ALA 72 5.183 5.883 -4.625 591 HA ALA 72 HA ALA 72 6.224 3.160 -4.412 592 HB1 ALA 72 HB1 ALA 72 8.395 4.117 -4.993 593 HB2 ALA 72 HB2 ALA 72 7.692 5.734 -4.979 594 HB3 ALA 72 HB3 ALA 72 7.169 4.556 -6.183 595 H ASP 73 H ASP 73 5.362 3.160 -2.230 596 HA ASP 73 HA ASP 73 5.562 3.136 0.028 597 HB2 ASP 73 HB2 ASP 73 8.467 2.942 -0.740 598 HB3 ASP 73 HB3 ASP 73 7.803 2.508 0.838 599 H ASN 74 H ASN 74 5.786 5.956 -1.157 600 HA ASN 74 HA ASN 74 6.558 7.149 1.371 601 HB2 ASN 74 HB2 ASN 74 8.117 8.735 0.543 602 HB3 ASN 74 HB3 ASN 74 8.620 7.179 -0.102 603 HD21 ASN 74 HD21 ASN 74 8.415 6.790 -2.298 604 HD22 ASN 74 HD22 ASN 74 8.160 8.070 -3.430 605 H HIS 75 H HIS 75 4.527 7.019 -1.269 606 HA HIS 75 HA HIS 75 3.655 9.705 -1.304 607 HB2 HIS 75 HB2 HIS 75 3.196 7.506 -2.893 608 HB3 HIS 75 HB3 HIS 75 1.665 7.673 -2.044 609 HD1 HIS 75 HD1 HIS 75 2.914 8.538 -5.140 610 HD2 HIS 75 HD2 HIS 75 1.097 10.790 -2.152 611 HE1 HIS 75 HE1 HIS 75 2.037 10.588 -6.278 612 HE2 HIS 75 HE2 HIS 75 0.923 11.928 -4.475 613 H THR 76 H THR 76 1.742 10.527 -0.351 614 HA THR 76 HA THR 76 1.008 9.099 2.106 615 HB THR 76 HB THR 76 0.531 11.351 3.056 616 HG1 THR 76 HG1 THR 76 2.039 12.581 1.062 617 HG21 THR 76 HG21 THR 76 2.896 12.033 3.291 618 HG22 THR 76 HG22 THR 76 3.321 10.920 1.989 619 HG23 THR 76 HG23 THR 76 2.673 10.295 3.506 620 HA PRO 77 HA PRO 77 -3.245 8.992 0.918 621 HB2 PRO 77 HB2 PRO 77 -4.422 9.574 3.377 622 HB3 PRO 77 HB3 PRO 77 -3.854 7.977 2.895 623 HG2 PRO 77 HG2 PRO 77 -2.534 10.027 4.604 624 HG3 PRO 77 HG3 PRO 77 -2.539 8.261 4.760 625 HD2 PRO 77 HD2 PRO 77 -0.422 9.625 3.799 626 HD3 PRO 77 HD3 PRO 77 -0.841 7.999 3.222 627 H LYS 78 H LYS 78 -1.977 11.757 2.606 628 HA LYS 78 HA LYS 78 -4.233 13.474 2.169 629 HB2 LYS 78 HB2 LYS 78 -2.745 15.253 3.020 630 HB3 LYS 78 HB3 LYS 78 -2.701 13.838 4.055 631 HG2 LYS 78 HG2 LYS 78 -0.560 13.298 3.489 632 HG3 LYS 78 HG3 LYS 78 -0.668 14.062 1.905 633 HD2 LYS 78 HD2 LYS 78 -0.649 16.270 3.020 634 HD3 LYS 78 HD3 LYS 78 -0.420 15.455 4.568 635 HE2 LYS 78 HE2 LYS 78 1.657 14.476 3.762 636 HE3 LYS 78 HE3 LYS 78 1.421 15.241 2.193 637 HZ1 LYS 78 HZ1 LYS 78 1.818 16.662 4.769 638 HZ2 LYS 78 HZ2 LYS 78 1.577 17.400 3.267 639 HZ3 LYS 78 HZ3 LYS 78 2.968 16.481 3.541 640 H GLU 79 H GLU 79 -1.239 12.731 0.527 641 HA GLU 79 HA GLU 79 -1.336 14.972 -1.262 642 HB2 GLU 79 HB2 GLU 79 0.765 13.916 -0.521 643 HB3 GLU 79 HB3 GLU 79 0.292 12.441 -1.341 644 HG2 GLU 79 HG2 GLU 79 1.834 13.531 -2.750 645 HG3 GLU 79 HG3 GLU 79 0.244 13.753 -3.477 646 H LEU 80 H LEU 80 -2.296 11.621 -1.286 647 HA LEU 80 HA LEU 80 -2.720 11.422 -4.101 648 HB2 LEU 80 HB2 LEU 80 -3.732 9.768 -1.806 649 HB3 LEU 80 HB3 LEU 80 -3.908 9.344 -3.497 650 HG LEU 80 HG LEU 80 -1.206 9.788 -2.265 651 HD11 LEU 80 HD11 LEU 80 -2.406 8.110 -0.966 652 HD12 LEU 80 HD12 LEU 80 -1.060 7.423 -1.882 653 HD13 LEU 80 HD13 LEU 80 -2.721 7.199 -2.447 654 HD21 LEU 80 HD21 LEU 80 -2.157 8.211 -4.653 655 HD22 LEU 80 HD22 LEU 80 -0.486 8.380 -4.113 656 HD23 LEU 80 HD23 LEU 80 -1.366 9.786 -4.706 657 H GLY 81 H GLY 81 -4.508 12.900 -1.592 658 HA2 GLY 81 HA2 GLY 81 -6.495 14.065 -1.788 659 HA3 GLY 81 HA3 GLY 81 -6.590 13.534 -3.462 660 H MET 82 H MET 82 -6.192 11.173 -0.895 661 HA MET 82 HA MET 82 -8.847 10.206 -1.660 662 HB2 MET 82 HB2 MET 82 -8.122 7.960 -1.260 663 HB3 MET 82 HB3 MET 82 -6.958 8.725 -2.325 664 HG2 MET 82 HG2 MET 82 -5.486 9.082 -0.361 665 HG3 MET 82 HG3 MET 82 -6.638 8.163 0.611 666 HE1 MET 82 HE1 MET 82 -3.705 7.146 0.663 667 HE2 MET 82 HE2 MET 82 -3.955 5.425 0.364 668 HE3 MET 82 HE3 MET 82 -5.079 6.315 1.390 669 H GLU 83 H GLU 83 -9.672 8.627 0.190 670 HA GLU 83 HA GLU 83 -9.298 9.969 2.780 671 HB2 GLU 83 HB2 GLU 83 -11.917 9.617 1.325 672 HB3 GLU 83 HB3 GLU 83 -11.826 9.945 3.046 673 HG2 GLU 83 HG2 GLU 83 -10.732 12.015 2.641 674 HG3 GLU 83 HG3 GLU 83 -10.693 11.707 0.904 675 H GLU 84 H GLU 84 -11.302 8.689 4.160 676 HA GLU 84 HA GLU 84 -10.193 6.102 4.533 677 HB2 GLU 84 HB2 GLU 84 -11.879 5.817 6.263 678 HB3 GLU 84 HB3 GLU 84 -11.165 7.414 6.382 679 HG2 GLU 84 HG2 GLU 84 -13.107 8.382 5.283 680 HG3 GLU 84 HG3 GLU 84 -13.829 6.779 5.144 681 H GLU 85 H GLU 85 -11.441 4.077 4.447 682 HA GLU 85 HA GLU 85 -12.523 2.471 3.311 683 HB2 GLU 85 HB2 GLU 85 -14.488 3.898 4.086 684 HB3 GLU 85 HB3 GLU 85 -14.503 4.599 2.477 685 HG2 GLU 85 HG2 GLU 85 -16.173 2.846 2.716 686 HG3 GLU 85 HG3 GLU 85 -14.964 2.425 1.506 687 H ASP 86 H ASP 86 -10.509 4.262 1.978 688 HA ASP 86 HA ASP 86 -11.363 4.411 -0.765 689 HB2 ASP 86 HB2 ASP 86 -9.407 5.644 0.792 690 HB3 ASP 86 HB3 ASP 86 -8.532 4.704 -0.409 691 H VAL 87 H VAL 87 -10.163 3.407 -2.518 692 HA VAL 87 HA VAL 87 -9.130 0.792 -1.713 693 HB VAL 87 HB VAL 87 -11.305 0.514 -2.757 694 HG11 VAL 87 HG11 VAL 87 -11.400 2.550 -4.076 695 HG12 VAL 87 HG12 VAL 87 -11.711 1.141 -5.090 696 HG13 VAL 87 HG13 VAL 87 -10.138 1.936 -5.144 697 HG21 VAL 87 HG21 VAL 87 -9.658 -1.222 -3.159 698 HG22 VAL 87 HG22 VAL 87 -9.052 -0.354 -4.570 699 HG23 VAL 87 HG23 VAL 87 -10.682 -1.024 -4.579 700 H ILE 88 H ILE 88 -7.277 0.179 -2.437 701 HA ILE 88 HA ILE 88 -5.889 1.789 -4.498 702 HB ILE 88 HB ILE 88 -4.529 0.242 -2.280 703 HG12 ILE 88 HG12 ILE 88 -5.846 2.123 -1.333 704 HG13 ILE 88 HG13 ILE 88 -4.113 2.356 -1.141 705 HG21 ILE 88 HG21 ILE 88 -3.179 0.539 -4.261 706 HG22 ILE 88 HG22 ILE 88 -2.540 1.509 -2.932 707 HG23 ILE 88 HG23 ILE 88 -3.466 2.277 -4.223 708 HD11 ILE 88 HD11 ILE 88 -5.271 4.408 -1.769 709 HD12 ILE 88 HD12 ILE 88 -5.816 3.640 -3.261 710 HD13 ILE 88 HD13 ILE 88 -4.094 3.911 -2.981 711 H GLU 89 H GLU 89 -4.576 0.585 -5.986 712 HA GLU 89 HA GLU 89 -5.324 -2.256 -6.079 713 HB2 GLU 89 HB2 GLU 89 -4.759 -0.540 -8.479 714 HB3 GLU 89 HB3 GLU 89 -5.560 -2.109 -8.421 715 HG2 GLU 89 HG2 GLU 89 -7.360 -0.968 -7.048 716 HG3 GLU 89 HG3 GLU 89 -6.601 0.543 -7.506 717 H VAL 90 H VAL 90 -3.741 -3.707 -6.403 718 HA VAL 90 HA VAL 90 -1.017 -2.634 -6.620 719 HB VAL 90 HB VAL 90 -1.927 -5.270 -5.449 720 HG11 VAL 90 HG11 VAL 90 0.269 -5.453 -6.415 721 HG12 VAL 90 HG12 VAL 90 0.368 -5.467 -4.654 722 HG13 VAL 90 HG13 VAL 90 0.792 -4.009 -5.551 723 HG21 VAL 90 HG21 VAL 90 -2.574 -3.374 -4.074 724 HG22 VAL 90 HG22 VAL 90 -0.917 -2.770 -4.126 725 HG23 VAL 90 HG23 VAL 90 -1.275 -4.293 -3.310 726 H TYR 91 H TYR 91 0.075 -3.008 -8.405 727 HA TYR 91 HA TYR 91 -0.878 -5.113 -10.236 728 HB2 TYR 91 HB2 TYR 91 0.532 -2.512 -10.848 729 HB3 TYR 91 HB3 TYR 91 0.139 -3.738 -12.042 730 HD1 TYR 91 HD1 TYR 91 -1.267 -1.231 -9.742 731 HD2 TYR 91 HD2 TYR 91 -2.093 -3.942 -12.911 732 HE1 TYR 91 HE1 TYR 91 -3.459 -0.182 -10.055 733 HE2 TYR 91 HE2 TYR 91 -4.297 -2.898 -13.232 734 HH TYR 91 HH TYR 91 -5.911 -1.578 -11.934 735 H GLN 92 H GLN 92 0.548 -6.573 -11.037 736 HA GLN 92 HA GLN 92 3.076 -6.803 -9.615 737 HB2 GLN 92 HB2 GLN 92 1.293 -8.664 -10.089 738 HB3 GLN 92 HB3 GLN 92 2.104 -8.786 -11.638 739 HG2 GLN 92 HG2 GLN 92 3.505 -9.087 -8.986 740 HG3 GLN 92 HG3 GLN 92 2.825 -10.433 -9.888 741 HE21 GLN 92 HE21 GLN 92 5.400 -8.153 -9.656 742 HE22 GLN 92 HE22 GLN 92 6.400 -8.837 -10.881 743 H GLU 93 H GLU 93 4.802 -5.863 -10.378 744 HA GLU 93 HA GLU 93 5.976 -6.553 -12.780 745 HB2 GLU 93 HB2 GLU 93 4.257 -5.156 -13.862 746 HB3 GLU 93 HB3 GLU 93 4.743 -3.782 -12.877 747 HG2 GLU 93 HG2 GLU 93 6.876 -3.691 -13.931 748 HG3 GLU 93 HG3 GLU 93 6.581 -5.202 -14.792 749 H GLN 94 H GLN 94 8.003 -5.789 -12.937 750 HA GLN 94 HA GLN 94 9.255 -5.125 -10.484 751 HB2 GLN 94 HB2 GLN 94 11.342 -4.889 -11.846 752 HB3 GLN 94 HB3 GLN 94 10.499 -6.415 -12.056 753 HG2 GLN 94 HG2 GLN 94 9.487 -5.487 -14.129 754 HG3 GLN 94 HG3 GLN 94 10.519 -4.072 -13.929 755 HE21 GLN 94 HE21 GLN 94 10.403 -6.097 -16.038 756 HE22 GLN 94 HE22 GLN 94 12.004 -6.748 -16.153 757 H THR 95 H THR 95 9.574 -3.265 -9.548 758 HA THR 95 HA THR 95 9.250 -0.801 -11.117 759 HB THR 95 HB THR 95 7.445 -1.156 -9.447 760 HG1 THR 95 HG1 THR 95 8.771 0.931 -8.228 761 HG21 THR 95 HG21 THR 95 8.681 -2.442 -7.784 762 HG22 THR 95 HG22 THR 95 7.964 -1.013 -7.039 763 HG23 THR 95 HG23 THR 95 9.686 -1.039 -7.420 764 H GLY 96 H GLY 96 10.424 1.127 -9.934 765 HA2 GLY 96 HA2 GLY 96 12.308 1.808 -8.666 766 HA3 GLY 96 HA3 GLY 96 12.953 0.179 -8.802 767 H GLY 97 H GLY 97 14.897 0.597 -9.720 768 HA2 GLY 97 HA2 GLY 97 15.235 0.762 -12.410 769 HA3 GLY 97 HA3 GLY 97 15.200 2.444 -11.887 Start of MODEL 12 1 H MET 1 H MET 1 6.796 -3.827 46.316 2 HA MET 1 HA MET 1 8.868 -2.735 45.844 3 HB2 MET 1 HB2 MET 1 10.011 -4.959 47.549 4 HB3 MET 1 HB3 MET 1 10.980 -3.953 46.485 5 HG2 MET 1 HG2 MET 1 10.326 -1.976 47.772 6 HG3 MET 1 HG3 MET 1 9.373 -2.996 48.844 7 HE1 MET 1 HE1 MET 1 12.469 -1.902 51.033 8 HE2 MET 1 HE2 MET 1 10.711 -1.889 50.900 9 HE3 MET 1 HE3 MET 1 11.686 -0.939 49.780 10 H SER 2 H SER 2 8.061 -3.317 43.810 11 HA SER 2 HA SER 2 9.075 -5.880 42.819 12 HB2 SER 2 HB2 SER 2 6.550 -5.752 43.013 13 HB3 SER 2 HB3 SER 2 6.595 -4.443 41.833 14 HG SER 2 HG SER 2 6.407 -6.936 41.268 15 H ASP 3 H ASP 3 8.677 -5.463 40.150 16 HA ASP 3 HA ASP 3 10.619 -3.335 39.620 17 HB2 ASP 3 HB2 ASP 3 9.746 -5.727 37.999 18 HB3 ASP 3 HB3 ASP 3 10.789 -4.466 37.353 19 H GLN 4 H GLN 4 10.222 -2.703 37.047 20 HA GLN 4 HA GLN 4 7.604 -2.207 36.242 21 HB2 GLN 4 HB2 GLN 4 7.533 0.250 36.565 22 HB3 GLN 4 HB3 GLN 4 7.489 -0.621 38.088 23 HG2 GLN 4 HG2 GLN 4 9.849 -0.146 38.439 24 HG3 GLN 4 HG3 GLN 4 9.911 0.700 36.894 25 HE21 GLN 4 HE21 GLN 4 10.548 2.614 37.887 26 HE22 GLN 4 HE22 GLN 4 9.449 3.587 38.799 27 H GLU 5 H GLU 5 7.612 -1.413 34.155 28 HA GLU 5 HA GLU 5 10.138 -0.461 33.057 29 HB2 GLU 5 HB2 GLU 5 10.130 -2.053 31.232 30 HB3 GLU 5 HB3 GLU 5 10.128 -2.930 32.752 31 HG2 GLU 5 HG2 GLU 5 7.591 -2.402 31.232 32 HG3 GLU 5 HG3 GLU 5 8.625 -3.779 30.864 33 H ALA 6 H ALA 6 9.569 -0.282 30.472 34 HA ALA 6 HA ALA 6 7.771 1.849 30.222 35 HB1 ALA 6 HB1 ALA 6 8.740 -0.009 28.048 36 HB2 ALA 6 HB2 ALA 6 9.597 1.417 28.634 37 HB3 ALA 6 HB3 ALA 6 8.046 1.597 27.816 38 H LYS 7 H LYS 7 5.657 1.763 30.459 39 HA LYS 7 HA LYS 7 4.234 -0.706 30.191 40 HB2 LYS 7 HB2 LYS 7 2.249 0.701 30.815 41 HB3 LYS 7 HB3 LYS 7 3.552 0.663 31.991 42 HG2 LYS 7 HG2 LYS 7 4.304 2.858 31.262 43 HG3 LYS 7 HG3 LYS 7 3.056 2.888 30.015 44 HD2 LYS 7 HD2 LYS 7 2.454 2.619 32.953 45 HD3 LYS 7 HD3 LYS 7 2.528 4.171 32.120 46 HE2 LYS 7 HE2 LYS 7 0.705 3.586 30.705 47 HE3 LYS 7 HE3 LYS 7 0.744 1.910 31.238 48 HZ1 LYS 7 HZ1 LYS 7 0.084 4.220 32.982 49 HZ2 LYS 7 HZ2 LYS 7 0.017 2.586 33.404 50 HZ3 LYS 7 HZ3 LYS 7 -1.052 3.203 32.257 51 HA PRO 8 HA PRO 8 2.985 -0.475 25.985 52 HB2 PRO 8 HB2 PRO 8 0.453 -1.563 26.292 53 HB3 PRO 8 HB3 PRO 8 1.942 -2.495 26.133 54 HG2 PRO 8 HG2 PRO 8 0.442 -1.733 28.602 55 HG3 PRO 8 HG3 PRO 8 1.233 -3.272 28.202 56 HD2 PRO 8 HD2 PRO 8 2.364 -1.528 29.865 57 HD3 PRO 8 HD3 PRO 8 3.348 -2.445 28.703 58 H SER 9 H SER 9 0.861 0.625 28.490 59 HA SER 9 HA SER 9 -0.574 2.350 28.705 60 HB2 SER 9 HB2 SER 9 0.840 3.492 26.283 61 HB3 SER 9 HB3 SER 9 -0.164 4.390 27.425 62 HG SER 9 HG SER 9 2.325 3.113 27.912 63 H THR 10 H THR 10 -2.168 0.758 28.136 64 HA THR 10 HA THR 10 -3.230 0.735 25.477 65 HB THR 10 HB THR 10 -4.438 -0.392 28.011 66 HG1 THR 10 HG1 THR 10 -2.516 -1.368 26.173 67 HG21 THR 10 HG21 THR 10 -5.687 -1.845 26.495 68 HG22 THR 10 HG22 THR 10 -4.916 -1.086 25.104 69 HG23 THR 10 HG23 THR 10 -6.016 -0.154 26.120 70 H GLU 11 H GLU 11 -4.242 2.505 24.768 71 HA GLU 11 HA GLU 11 -5.763 4.170 26.553 72 HB2 GLU 11 HB2 GLU 11 -6.224 5.518 24.532 73 HB3 GLU 11 HB3 GLU 11 -4.506 5.286 24.836 74 HG2 GLU 11 HG2 GLU 11 -4.706 3.333 23.157 75 HG3 GLU 11 HG3 GLU 11 -6.223 4.101 22.687 76 H ASP 12 H ASP 12 -7.896 4.252 26.766 77 HA ASP 12 HA ASP 12 -9.437 1.998 26.008 78 HB2 ASP 12 HB2 ASP 12 -10.493 4.622 27.029 79 HB3 ASP 12 HB3 ASP 12 -11.231 3.033 27.194 80 H LEU 13 H LEU 13 -9.931 5.416 25.299 81 HA LEU 13 HA LEU 13 -11.313 4.591 22.843 82 HB2 LEU 13 HB2 LEU 13 -12.293 7.004 23.123 83 HB3 LEU 13 HB3 LEU 13 -12.984 5.612 23.930 84 HG LEU 13 HG LEU 13 -11.552 6.296 25.946 85 HD11 LEU 13 HD11 LEU 13 -11.472 8.885 24.419 86 HD12 LEU 13 HD12 LEU 13 -10.091 7.856 24.797 87 HD13 LEU 13 HD13 LEU 13 -10.981 8.652 26.096 88 HD21 LEU 13 HD21 LEU 13 -13.957 6.515 25.906 89 HD22 LEU 13 HD22 LEU 13 -13.825 8.043 25.033 90 HD23 LEU 13 HD23 LEU 13 -13.227 7.918 26.688 91 H GLY 14 H GLY 14 -8.770 6.531 24.089 92 HA2 GLY 14 HA2 GLY 14 -6.996 7.402 22.856 93 HA3 GLY 14 HA3 GLY 14 -7.911 7.109 21.385 94 H ASP 15 H ASP 15 -8.362 9.082 24.321 95 HA ASP 15 HA ASP 15 -9.650 11.191 22.889 96 HB2 ASP 15 HB2 ASP 15 -9.490 12.413 25.055 97 HB3 ASP 15 HB3 ASP 15 -10.216 10.816 25.225 98 H LYS 16 H LYS 16 -6.449 10.632 24.145 99 HA LYS 16 HA LYS 16 -5.556 13.185 23.048 100 HB2 LYS 16 HB2 LYS 16 -4.203 11.234 24.908 101 HB3 LYS 16 HB3 LYS 16 -3.489 12.743 24.344 102 HG2 LYS 16 HG2 LYS 16 -5.173 14.030 25.462 103 HG3 LYS 16 HG3 LYS 16 -6.069 12.573 25.882 104 HD2 LYS 16 HD2 LYS 16 -4.815 13.436 27.780 105 HD3 LYS 16 HD3 LYS 16 -4.244 11.841 27.297 106 HE2 LYS 16 HE2 LYS 16 -2.372 13.342 27.809 107 HE3 LYS 16 HE3 LYS 16 -2.363 12.846 26.119 108 HZ1 LYS 16 HZ1 LYS 16 -3.308 15.454 27.181 109 HZ2 LYS 16 HZ2 LYS 16 -3.410 14.985 25.562 110 HZ3 LYS 16 HZ3 LYS 16 -1.900 15.183 26.284 111 H LYS 17 H LYS 17 -4.807 13.163 21.069 112 HA LYS 17 HA LYS 17 -2.977 11.124 20.178 113 HB2 LYS 17 HB2 LYS 17 -4.216 10.263 18.374 114 HB3 LYS 17 HB3 LYS 17 -5.382 10.306 19.686 115 HG2 LYS 17 HG2 LYS 17 -5.145 12.304 17.438 116 HG3 LYS 17 HG3 LYS 17 -6.387 11.065 17.613 117 HD2 LYS 17 HD2 LYS 17 -7.362 12.155 19.451 118 HD3 LYS 17 HD3 LYS 17 -5.935 13.162 19.707 119 HE2 LYS 17 HE2 LYS 17 -7.467 14.600 18.720 120 HE3 LYS 17 HE3 LYS 17 -6.395 14.098 17.409 121 HZ1 LYS 17 HZ1 LYS 17 -8.075 12.510 16.672 122 HZ2 LYS 17 HZ2 LYS 17 -8.741 14.057 16.753 123 HZ3 LYS 17 HZ3 LYS 17 -9.074 12.940 17.963 124 H GLU 18 H GLU 18 -2.212 11.679 17.903 125 HA GLU 18 HA GLU 18 -1.732 14.540 17.853 126 HB2 GLU 18 HB2 GLU 18 -0.083 13.995 16.084 127 HB3 GLU 18 HB3 GLU 18 0.192 13.111 17.577 128 HG2 GLU 18 HG2 GLU 18 -0.825 11.134 16.623 129 HG3 GLU 18 HG3 GLU 18 -1.184 12.016 15.141 130 H GLY 19 H GLY 19 -3.241 12.077 15.854 131 HA2 GLY 19 HA2 GLY 19 -4.821 14.125 14.550 132 HA3 GLY 19 HA3 GLY 19 -3.718 13.260 13.491 133 H GLU 20 H GLU 20 -6.146 12.985 12.688 134 HA GLU 20 HA GLU 20 -7.468 10.778 13.972 135 HB2 GLU 20 HB2 GLU 20 -8.097 12.463 11.556 136 HB3 GLU 20 HB3 GLU 20 -9.065 11.073 12.026 137 HG2 GLU 20 HG2 GLU 20 -8.540 13.460 13.779 138 HG3 GLU 20 HG3 GLU 20 -9.984 13.231 12.790 139 H TYR 21 H TYR 21 -7.835 8.789 12.997 140 HA TYR 21 HA TYR 21 -5.913 8.163 10.877 141 HB2 TYR 21 HB2 TYR 21 -6.872 6.172 12.922 142 HB3 TYR 21 HB3 TYR 21 -5.467 6.087 11.861 143 HD1 TYR 21 HD1 TYR 21 -3.976 8.529 12.311 144 HD2 TYR 21 HD2 TYR 21 -6.203 6.237 15.140 145 HE1 TYR 21 HE1 TYR 21 -2.596 9.426 14.123 146 HE2 TYR 21 HE2 TYR 21 -4.820 7.150 16.960 147 HH TYR 21 HH TYR 21 -2.609 8.151 17.273 148 H ILE 22 H ILE 22 -6.671 7.130 9.127 149 HA ILE 22 HA ILE 22 -9.557 6.571 9.074 150 HB ILE 22 HB ILE 22 -9.307 6.798 6.594 151 HG12 ILE 22 HG12 ILE 22 -6.797 8.327 7.091 152 HG13 ILE 22 HG13 ILE 22 -6.706 6.577 6.920 153 HG21 ILE 22 HG21 ILE 22 -9.280 9.270 6.643 154 HG22 ILE 22 HG22 ILE 22 -8.733 9.201 8.321 155 HG23 ILE 22 HG23 ILE 22 -10.316 8.555 7.878 156 HD11 ILE 22 HD11 ILE 22 -6.300 7.649 4.819 157 HD12 ILE 22 HD12 ILE 22 -7.849 8.501 4.930 158 HD13 ILE 22 HD13 ILE 22 -7.812 6.739 4.770 159 H LYS 23 H LYS 23 -10.245 4.860 7.684 160 HA LYS 23 HA LYS 23 -8.340 2.626 7.599 161 HB2 LYS 23 HB2 LYS 23 -10.265 1.160 7.634 162 HB3 LYS 23 HB3 LYS 23 -10.406 2.304 8.962 163 HG2 LYS 23 HG2 LYS 23 -11.942 3.658 7.598 164 HG3 LYS 23 HG3 LYS 23 -11.837 2.451 6.320 165 HD2 LYS 23 HD2 LYS 23 -12.712 0.771 7.916 166 HD3 LYS 23 HD3 LYS 23 -12.925 2.064 9.099 167 HE2 LYS 23 HE2 LYS 23 -14.318 3.250 7.368 168 HE3 LYS 23 HE3 LYS 23 -14.270 1.761 6.430 169 HZ1 LYS 23 HZ1 LYS 23 -15.302 0.615 8.312 170 HZ2 LYS 23 HZ2 LYS 23 -16.276 1.874 7.740 171 HZ3 LYS 23 HZ3 LYS 23 -15.387 2.074 9.161 172 H LEU 24 H LEU 24 -8.086 1.502 5.704 173 HA LEU 24 HA LEU 24 -9.638 2.300 3.383 174 HB2 LEU 24 HB2 LEU 24 -6.630 2.215 3.195 175 HB3 LEU 24 HB3 LEU 24 -7.773 2.750 1.994 176 HG LEU 24 HG LEU 24 -8.335 4.576 3.802 177 HD11 LEU 24 HD11 LEU 24 -5.482 3.864 4.450 178 HD12 LEU 24 HD12 LEU 24 -6.869 3.628 5.512 179 HD13 LEU 24 HD13 LEU 24 -6.374 5.258 5.056 180 HD21 LEU 24 HD21 LEU 24 -7.525 5.004 1.560 181 HD22 LEU 24 HD22 LEU 24 -5.885 4.610 2.068 182 HD23 LEU 24 HD23 LEU 24 -6.697 6.031 2.732 183 H LYS 25 H LYS 25 -8.550 0.874 1.423 184 HA LYS 25 HA LYS 25 -7.913 -1.771 2.388 185 HB2 LYS 25 HB2 LYS 25 -10.345 -1.796 2.494 186 HB3 LYS 25 HB3 LYS 25 -10.450 -1.200 0.846 187 HG2 LYS 25 HG2 LYS 25 -8.928 -3.689 1.180 188 HG3 LYS 25 HG3 LYS 25 -10.647 -3.798 1.557 189 HD2 LYS 25 HD2 LYS 25 -9.608 -2.585 -0.991 190 HD3 LYS 25 HD3 LYS 25 -9.979 -4.303 -0.830 191 HE2 LYS 25 HE2 LYS 25 -11.906 -2.039 -0.346 192 HE3 LYS 25 HE3 LYS 25 -11.847 -3.030 -1.803 193 HZ1 LYS 25 HZ1 LYS 25 -13.498 -4.031 -0.541 194 HZ2 LYS 25 HZ2 LYS 25 -12.701 -3.790 0.919 195 HZ3 LYS 25 HZ3 LYS 25 -12.153 -4.980 -0.145 196 H VAL 26 H VAL 26 -6.921 -3.023 0.834 197 HA VAL 26 HA VAL 26 -6.635 -1.843 -1.837 198 HB VAL 26 HB VAL 26 -4.259 -1.971 -1.907 199 HG11 VAL 26 HG11 VAL 26 -3.529 -0.456 -0.172 200 HG12 VAL 26 HG12 VAL 26 -4.947 -0.863 0.798 201 HG13 VAL 26 HG13 VAL 26 -5.146 -0.006 -0.727 202 HG21 VAL 26 HG21 VAL 26 -4.294 -3.226 0.824 203 HG22 VAL 26 HG22 VAL 26 -2.869 -2.877 -0.160 204 HG23 VAL 26 HG23 VAL 26 -4.044 -4.080 -0.694 205 H ILE 27 H ILE 27 -6.370 -3.281 -3.478 206 HA ILE 27 HA ILE 27 -6.407 -6.146 -2.743 207 HB ILE 27 HB ILE 27 -7.947 -4.870 -5.010 208 HG12 ILE 27 HG12 ILE 27 -9.101 -6.060 -2.508 209 HG13 ILE 27 HG13 ILE 27 -8.705 -4.349 -2.623 210 HG21 ILE 27 HG21 ILE 27 -9.033 -7.069 -5.183 211 HG22 ILE 27 HG22 ILE 27 -7.988 -7.680 -3.900 212 HG23 ILE 27 HG23 ILE 27 -7.292 -7.181 -5.442 213 HD11 ILE 27 HD11 ILE 27 -10.252 -4.112 -4.477 214 HD12 ILE 27 HD12 ILE 27 -11.060 -4.758 -3.050 215 HD13 ILE 27 HD13 ILE 27 -10.641 -5.831 -4.389 216 H GLY 28 H GLY 28 -5.086 -7.415 -3.884 217 HA2 GLY 28 HA2 GLY 28 -3.563 -6.080 -6.015 218 HA3 GLY 28 HA3 GLY 28 -2.886 -7.305 -4.948 219 H GLN 29 H GLN 29 -2.368 -7.795 -7.366 220 HA GLN 29 HA GLN 29 -4.302 -9.052 -8.993 221 HB2 GLN 29 HB2 GLN 29 -2.557 -9.496 -10.447 222 HB3 GLN 29 HB3 GLN 29 -1.879 -8.164 -9.527 223 HG2 GLN 29 HG2 GLN 29 -1.306 -11.094 -9.069 224 HG3 GLN 29 HG3 GLN 29 -0.247 -9.957 -9.893 225 HE21 GLN 29 HE21 GLN 29 -0.683 -7.780 -8.040 226 HE22 GLN 29 HE22 GLN 29 0.108 -8.228 -6.565 227 H ASP 30 H ASP 30 -2.953 -10.015 -6.091 228 HA ASP 30 HA ASP 30 -2.755 -12.834 -6.617 229 HB2 ASP 30 HB2 ASP 30 -1.262 -11.563 -5.038 230 HB3 ASP 30 HB3 ASP 30 -2.661 -11.299 -4.020 231 H SER 31 H SER 31 -5.318 -10.747 -6.275 232 HA SER 31 HA SER 31 -7.483 -10.956 -5.824 233 HB2 SER 31 HB2 SER 31 -6.928 -13.886 -5.245 234 HB3 SER 31 HB3 SER 31 -8.512 -13.156 -5.510 235 HG SER 31 HG SER 31 -6.443 -13.671 -7.337 236 H SER 32 H SER 32 -5.127 -10.861 -3.839 237 HA SER 32 HA SER 32 -6.534 -11.445 -1.376 238 HB2 SER 32 HB2 SER 32 -4.289 -11.113 -0.365 239 HB3 SER 32 HB3 SER 32 -4.262 -12.311 -1.662 240 HG SER 32 HG SER 32 -2.689 -11.171 -2.332 241 H GLU 33 H GLU 33 -6.456 -9.764 0.317 242 HA GLU 33 HA GLU 33 -5.951 -7.067 -0.530 243 HB2 GLU 33 HB2 GLU 33 -8.146 -6.190 -0.298 244 HB3 GLU 33 HB3 GLU 33 -8.264 -7.571 -1.377 245 HG2 GLU 33 HG2 GLU 33 -9.176 -8.927 0.394 246 HG3 GLU 33 HG3 GLU 33 -8.955 -7.613 1.551 247 H ILE 34 H ILE 34 -6.223 -5.539 1.240 248 HA ILE 34 HA ILE 34 -6.432 -6.780 3.862 249 HB ILE 34 HB ILE 34 -4.021 -6.847 3.294 250 HG12 ILE 34 HG12 ILE 34 -4.374 -4.778 5.421 251 HG13 ILE 34 HG13 ILE 34 -5.053 -6.389 5.644 252 HG21 ILE 34 HG21 ILE 34 -2.759 -4.731 3.230 253 HG22 ILE 34 HG22 ILE 34 -4.289 -3.852 3.187 254 HG23 ILE 34 HG23 ILE 34 -3.853 -4.928 1.862 255 HD11 ILE 34 HD11 ILE 34 -2.850 -7.346 5.368 256 HD12 ILE 34 HD12 ILE 34 -2.882 -6.175 6.687 257 HD13 ILE 34 HD13 ILE 34 -2.168 -5.736 5.131 258 H HIS 35 H HIS 35 -7.165 -5.446 5.440 259 HA HIS 35 HA HIS 35 -7.953 -2.735 4.600 260 HB2 HIS 35 HB2 HIS 35 -9.164 -4.425 6.814 261 HB3 HIS 35 HB3 HIS 35 -9.761 -2.881 6.238 262 HD1 HIS 35 HD1 HIS 35 -11.993 -4.556 6.083 263 HD2 HIS 35 HD2 HIS 35 -9.040 -4.983 3.191 264 HE1 HIS 35 HE1 HIS 35 -13.079 -5.787 4.184 265 HE2 HIS 35 HE2 HIS 35 -11.307 -5.919 2.386 266 H PHE 36 H PHE 36 -7.102 -1.077 5.763 267 HA PHE 36 HA PHE 36 -5.849 -1.685 8.337 268 HB2 PHE 36 HB2 PHE 36 -3.831 -0.296 7.565 269 HB3 PHE 36 HB3 PHE 36 -3.935 -1.950 6.991 270 HD1 PHE 36 HD1 PHE 36 -4.559 1.572 6.030 271 HD2 PHE 36 HD2 PHE 36 -4.004 -2.435 4.728 272 HE1 PHE 36 HE1 PHE 36 -4.400 2.351 3.707 273 HE2 PHE 36 HE2 PHE 36 -3.842 -1.664 2.412 274 HZ PHE 36 HZ PHE 36 -4.046 0.735 1.894 275 HH31 ALY 37 HH31 ALY 37 -3.423 0.128 17.370 276 HH32 ALY 37 HH32 ALY 37 -5.129 0.611 17.260 277 HH33 ALY 37 HH33 ALY 37 -3.834 1.751 16.834 278 HZ ALY 37 HZ ALY 37 -4.729 1.675 14.138 279 HE3 ALY 37 HE3 ALY 37 -6.357 -0.621 13.991 280 HE2 ALY 37 HE2 ALY 37 -6.984 0.482 15.215 281 HD3 ALY 37 HD3 ALY 37 -8.055 0.856 13.053 282 HD2 ALY 37 HD2 ALY 37 -7.114 2.263 13.554 283 HG3 ALY 37 HG3 ALY 37 -5.270 1.532 12.106 284 HG2 ALY 37 HG2 ALY 37 -6.235 0.147 11.592 285 HB3 ALY 37 HB3 ALY 37 -7.908 1.632 10.657 286 HB2 ALY 37 HB2 ALY 37 -7.014 3.031 11.230 287 HCA ALY 37 HCA ALY 37 -6.745 2.568 8.778 288 H ALY 37 H ALY 37 -5.326 0.148 9.594 289 H VAL 38 H VAL 38 -5.326 3.976 8.116 290 HA VAL 38 HA VAL 38 -2.738 4.134 9.498 291 HB VAL 38 HB VAL 38 -1.866 5.278 7.507 292 HG11 VAL 38 HG11 VAL 38 -1.597 2.896 7.598 293 HG12 VAL 38 HG12 VAL 38 -1.957 3.357 5.934 294 HG13 VAL 38 HG13 VAL 38 -3.211 2.641 6.946 295 HG21 VAL 38 HG21 VAL 38 -3.937 6.341 6.753 296 HG22 VAL 38 HG22 VAL 38 -4.582 4.763 6.297 297 HG23 VAL 38 HG23 VAL 38 -3.180 5.420 5.452 298 H LYS 39 H LYS 39 -1.945 6.631 8.821 299 HA LYS 39 HA LYS 39 -3.816 8.216 10.422 300 HB2 LYS 39 HB2 LYS 39 -1.499 7.924 11.294 301 HB3 LYS 39 HB3 LYS 39 -0.886 8.693 9.841 302 HG2 LYS 39 HG2 LYS 39 -1.743 10.793 10.458 303 HG3 LYS 39 HG3 LYS 39 -2.778 10.097 11.706 304 HD2 LYS 39 HD2 LYS 39 -0.786 11.212 12.655 305 HD3 LYS 39 HD3 LYS 39 -0.829 9.489 13.026 306 HE2 LYS 39 HE2 LYS 39 0.709 9.078 11.156 307 HE3 LYS 39 HE3 LYS 39 0.799 10.814 10.864 308 HZ1 LYS 39 HZ1 LYS 39 2.681 10.207 12.151 309 HZ2 LYS 39 HZ2 LYS 39 1.747 9.327 13.249 310 HZ3 LYS 39 HZ3 LYS 39 1.628 11.015 13.211 311 H MET 40 H MET 40 -4.228 10.442 9.788 312 HA MET 40 HA MET 40 -4.998 10.854 7.191 313 HB2 MET 40 HB2 MET 40 -5.656 12.290 9.079 314 HB3 MET 40 HB3 MET 40 -4.034 12.957 9.134 315 HG2 MET 40 HG2 MET 40 -5.398 14.561 8.059 316 HG3 MET 40 HG3 MET 40 -4.411 13.822 6.804 317 HE1 MET 40 HE1 MET 40 -5.550 11.502 5.453 318 HE2 MET 40 HE2 MET 40 -5.368 13.039 4.611 319 HE3 MET 40 HE3 MET 40 -6.870 12.127 4.467 320 H THR 41 H THR 41 -1.786 11.444 8.593 321 HA THR 41 HA THR 41 -0.797 11.710 5.881 322 HB THR 41 HB THR 41 0.795 13.433 6.641 323 HG1 THR 41 HG1 THR 41 0.552 12.626 8.939 324 HG21 THR 41 HG21 THR 41 -1.398 14.142 5.727 325 HG22 THR 41 HG22 THR 41 -0.769 15.295 6.908 326 HG23 THR 41 HG23 THR 41 -2.048 14.164 7.364 327 H THR 42 H THR 42 0.591 10.053 5.595 328 HA THR 42 HA THR 42 2.719 9.498 7.339 329 HB THR 42 HB THR 42 0.815 8.438 8.646 330 HG1 THR 42 HG1 THR 42 2.598 7.443 9.266 331 HG21 THR 42 HG21 THR 42 -0.510 7.609 6.761 332 HG22 THR 42 HG22 THR 42 -0.052 6.283 7.832 333 HG23 THR 42 HG23 THR 42 0.805 6.523 6.308 334 H HIS 43 H HIS 43 3.838 7.405 6.584 335 HA HIS 43 HA HIS 43 3.773 7.418 3.681 336 HB2 HIS 43 HB2 HIS 43 5.661 6.130 5.654 337 HB3 HIS 43 HB3 HIS 43 5.817 5.980 3.908 338 HD1 HIS 43 HD1 HIS 43 7.034 7.930 6.623 339 HD2 HIS 43 HD2 HIS 43 6.009 8.725 2.682 340 HE1 HIS 43 HE1 HIS 43 8.202 10.073 6.047 341 HE2 HIS 43 HE2 HIS 43 7.358 10.654 3.752 342 H LEU 44 H LEU 44 2.764 5.949 2.523 343 HA LEU 44 HA LEU 44 1.164 3.948 3.650 344 HB2 LEU 44 HB2 LEU 44 2.091 4.237 0.805 345 HB3 LEU 44 HB3 LEU 44 0.805 3.174 1.337 346 HG LEU 44 HG LEU 44 0.821 6.184 1.356 347 HD11 LEU 44 HD11 LEU 44 0.318 5.269 -0.778 348 HD12 LEU 44 HD12 LEU 44 -1.188 5.851 -0.065 349 HD13 LEU 44 HD13 LEU 44 -0.825 4.124 -0.082 350 HD21 LEU 44 HD21 LEU 44 -0.228 5.433 3.419 351 HD22 LEU 44 HD22 LEU 44 -1.244 4.310 2.516 352 HD23 LEU 44 HD23 LEU 44 -1.449 6.047 2.304 353 H LYS 45 H LYS 45 4.473 3.821 3.198 354 HA LYS 45 HA LYS 45 4.928 1.185 2.431 355 HB2 LYS 45 HB2 LYS 45 6.605 3.070 2.708 356 HB3 LYS 45 HB3 LYS 45 6.569 2.742 4.431 357 HG2 LYS 45 HG2 LYS 45 7.174 0.523 2.545 358 HG3 LYS 45 HG3 LYS 45 8.422 1.717 2.880 359 HD2 LYS 45 HD2 LYS 45 6.970 0.050 4.933 360 HD3 LYS 45 HD3 LYS 45 8.610 -0.235 4.342 361 HE2 LYS 45 HE2 LYS 45 9.231 2.027 5.184 362 HE3 LYS 45 HE3 LYS 45 7.625 2.162 5.889 363 HZ1 LYS 45 HZ1 LYS 45 8.090 0.192 7.227 364 HZ2 LYS 45 HZ2 LYS 45 9.208 1.428 7.528 365 HZ3 LYS 45 HZ3 LYS 45 9.652 0.110 6.574 366 H LYS 46 H LYS 46 3.808 2.531 5.454 367 HA LYS 46 HA LYS 46 4.284 0.417 7.212 368 HB2 LYS 46 HB2 LYS 46 3.619 2.527 8.075 369 HB3 LYS 46 HB3 LYS 46 2.181 2.569 7.070 370 HG2 LYS 46 HG2 LYS 46 2.405 0.363 8.986 371 HG3 LYS 46 HG3 LYS 46 2.134 1.975 9.665 372 HD2 LYS 46 HD2 LYS 46 0.197 2.145 8.008 373 HD3 LYS 46 HD3 LYS 46 0.409 0.417 7.730 374 HE2 LYS 46 HE2 LYS 46 -0.217 1.748 10.366 375 HE3 LYS 46 HE3 LYS 46 -1.342 0.825 9.375 376 HZ1 LYS 46 HZ1 LYS 46 -0.003 -1.156 9.757 377 HZ2 LYS 46 HZ2 LYS 46 -0.471 -0.474 11.227 378 HZ3 LYS 46 HZ3 LYS 46 1.105 -0.262 10.669 379 H LEU 47 H LEU 47 1.824 0.924 4.832 380 HA LEU 47 HA LEU 47 0.173 -1.256 5.798 381 HB2 LEU 47 HB2 LEU 47 -1.411 -0.718 4.160 382 HB3 LEU 47 HB3 LEU 47 -0.772 0.821 4.687 383 HG LEU 47 HG LEU 47 0.799 0.473 2.577 384 HD11 LEU 47 HD11 LEU 47 -0.080 -1.712 1.992 385 HD12 LEU 47 HD12 LEU 47 -0.442 -0.535 0.730 386 HD13 LEU 47 HD13 LEU 47 -1.704 -1.039 1.856 387 HD21 LEU 47 HD21 LEU 47 -0.841 1.787 1.292 388 HD22 LEU 47 HD22 LEU 47 -0.592 2.372 2.937 389 HD23 LEU 47 HD23 LEU 47 -2.041 1.444 2.543 390 H LYS 48 H LYS 48 2.596 -0.646 3.371 391 HA LYS 48 HA LYS 48 2.350 -3.024 1.887 392 HB2 LYS 48 HB2 LYS 48 4.545 -1.102 2.399 393 HB3 LYS 48 HB3 LYS 48 5.019 -2.698 1.847 394 HG2 LYS 48 HG2 LYS 48 4.870 -1.446 -0.086 395 HG3 LYS 48 HG3 LYS 48 3.346 -2.334 -0.050 396 HD2 LYS 48 HD2 LYS 48 2.148 -0.415 0.642 397 HD3 LYS 48 HD3 LYS 48 3.633 0.470 1.010 398 HE2 LYS 48 HE2 LYS 48 2.430 -0.203 -1.644 399 HE3 LYS 48 HE3 LYS 48 2.993 1.357 -1.040 400 HZ1 LYS 48 HZ1 LYS 48 4.637 -0.934 -1.974 401 HZ2 LYS 48 HZ2 LYS 48 5.300 0.306 -1.065 402 HZ3 LYS 48 HZ3 LYS 48 4.624 0.644 -2.584 403 H GLU 49 H GLU 49 4.110 -2.305 4.873 404 HA GLU 49 HA GLU 49 5.327 -4.822 5.173 405 HB2 GLU 49 HB2 GLU 49 4.465 -2.856 7.296 406 HB3 GLU 49 HB3 GLU 49 5.558 -4.214 7.543 407 HG2 GLU 49 HG2 GLU 49 7.075 -3.230 5.890 408 HG3 GLU 49 HG3 GLU 49 6.016 -1.833 5.775 409 H SER 50 H SER 50 2.388 -3.486 6.591 410 HA SER 50 HA SER 50 1.550 -5.792 7.921 411 HB2 SER 50 HB2 SER 50 0.607 -3.467 8.190 412 HB3 SER 50 HB3 SER 50 -0.281 -3.719 6.688 413 HG SER 50 HG SER 50 -0.490 -5.583 8.785 414 H TYR 51 H TYR 51 1.367 -4.934 4.595 415 HA TYR 51 HA TYR 51 -0.618 -6.917 3.853 416 HB2 TYR 51 HB2 TYR 51 -0.090 -4.769 2.541 417 HB3 TYR 51 HB3 TYR 51 1.343 -5.603 1.960 418 HD1 TYR 51 HD1 TYR 51 0.662 -8.140 1.063 419 HD2 TYR 51 HD2 TYR 51 -1.831 -4.704 1.054 420 HE1 TYR 51 HE1 TYR 51 -0.653 -9.107 -0.785 421 HE2 TYR 51 HE2 TYR 51 -3.150 -5.669 -0.801 422 HH TYR 51 HH TYR 51 -2.928 -8.891 -1.764 423 H CYS 52 H CYS 52 2.869 -6.580 3.358 424 HA CYS 52 HA CYS 52 3.319 -9.132 2.280 425 HB2 CYS 52 HB2 CYS 52 4.932 -7.298 2.098 426 HB3 CYS 52 HB3 CYS 52 5.227 -7.349 3.827 427 HG CYS 52 HG CYS 52 5.881 -9.973 1.747 428 H GLN 53 H GLN 53 3.255 -7.997 5.590 429 HA GLN 53 HA GLN 53 4.215 -10.421 6.746 430 HB2 GLN 53 HB2 GLN 53 2.811 -8.023 7.899 431 HB3 GLN 53 HB3 GLN 53 3.352 -9.382 8.879 432 HG2 GLN 53 HG2 GLN 53 5.232 -7.945 7.064 433 HG3 GLN 53 HG3 GLN 53 4.878 -7.312 8.670 434 HE21 GLN 53 HE21 GLN 53 5.578 -8.481 10.461 435 HE22 GLN 53 HE22 GLN 53 6.761 -9.738 10.354 436 H ARG 54 H ARG 54 1.058 -9.212 5.887 437 HA ARG 54 HA ARG 54 -0.305 -11.265 7.400 438 HB2 ARG 54 HB2 ARG 54 -1.346 -9.097 7.255 439 HB3 ARG 54 HB3 ARG 54 -1.301 -9.157 5.500 440 HG2 ARG 54 HG2 ARG 54 -3.543 -9.584 6.390 441 HG3 ARG 54 HG3 ARG 54 -2.912 -10.956 5.478 442 HD2 ARG 54 HD2 ARG 54 -2.218 -11.983 7.637 443 HD3 ARG 54 HD3 ARG 54 -3.029 -10.658 8.471 444 HE ARG 54 HE ARG 54 -5.099 -11.498 7.765 445 HH11 ARG 54 HH11 ARG 54 -2.433 -13.514 6.652 446 HH12 ARG 54 HH12 ARG 54 -3.441 -14.883 6.348 447 HH21 ARG 54 HH21 ARG 54 -6.418 -13.307 7.352 448 HH22 ARG 54 HH22 ARG 54 -5.725 -14.775 6.759 449 H GLN 55 H GLN 55 0.128 -10.464 3.964 450 HA GLN 55 HA GLN 55 -1.207 -12.916 3.200 451 HB2 GLN 55 HB2 GLN 55 -0.190 -10.532 1.712 452 HB3 GLN 55 HB3 GLN 55 -0.505 -12.022 0.838 453 HG2 GLN 55 HG2 GLN 55 -2.435 -10.675 0.637 454 HG3 GLN 55 HG3 GLN 55 -2.830 -11.973 1.758 455 HE21 GLN 55 HE21 GLN 55 -0.934 -9.116 2.586 456 HE22 GLN 55 HE22 GLN 55 -2.120 -8.441 3.647 457 H GLY 56 H GLY 56 1.966 -11.962 3.873 458 HA2 GLY 56 HA2 GLY 56 3.967 -13.091 3.737 459 HA3 GLY 56 HA3 GLY 56 3.032 -14.533 3.377 460 H VAL 57 H VAL 57 2.938 -11.660 1.394 461 HA VAL 57 HA VAL 57 4.352 -13.144 -0.714 462 HB VAL 57 HB VAL 57 2.970 -11.793 -2.349 463 HG11 VAL 57 HG11 VAL 57 1.468 -13.632 -0.486 464 HG12 VAL 57 HG12 VAL 57 2.441 -14.121 -1.872 465 HG13 VAL 57 HG13 VAL 57 0.964 -13.191 -2.119 466 HG21 VAL 57 HG21 VAL 57 0.887 -10.791 -1.545 467 HG22 VAL 57 HG22 VAL 57 2.291 -10.007 -0.815 468 HG23 VAL 57 HG23 VAL 57 1.345 -11.165 0.116 469 HA PRO 58 HA PRO 58 7.225 -9.814 -1.003 470 HB2 PRO 58 HB2 PRO 58 7.770 -9.748 -3.668 471 HB3 PRO 58 HB3 PRO 58 8.362 -11.022 -2.595 472 HG2 PRO 58 HG2 PRO 58 6.017 -11.049 -4.450 473 HG3 PRO 58 HG3 PRO 58 7.224 -12.312 -4.155 474 HD2 PRO 58 HD2 PRO 58 4.759 -12.369 -3.049 475 HD3 PRO 58 HD3 PRO 58 6.187 -13.029 -2.229 476 H MET 59 H MET 59 6.581 -7.785 -0.659 477 HA MET 59 HA MET 59 4.471 -6.566 -2.171 478 HB2 MET 59 HB2 MET 59 5.866 -6.051 0.320 479 HB3 MET 59 HB3 MET 59 5.568 -4.583 -0.600 480 HG2 MET 59 HG2 MET 59 3.801 -5.118 1.043 481 HG3 MET 59 HG3 MET 59 3.212 -4.988 -0.611 482 HE1 MET 59 HE1 MET 59 3.200 -7.891 -2.064 483 HE2 MET 59 HE2 MET 59 2.061 -6.564 -1.835 484 HE3 MET 59 HE3 MET 59 1.602 -8.202 -1.385 485 H ASN 60 H ASN 60 7.694 -6.892 -2.723 486 HA ASN 60 HA ASN 60 8.117 -4.272 -3.879 487 HB2 ASN 60 HB2 ASN 60 9.883 -6.711 -4.016 488 HB3 ASN 60 HB3 ASN 60 10.337 -5.066 -4.440 489 HD21 ASN 60 HD21 ASN 60 8.778 -4.072 -2.093 490 HD22 ASN 60 HD22 ASN 60 9.768 -4.438 -0.728 491 H SER 61 H SER 61 7.774 -7.609 -5.029 492 HA SER 61 HA SER 61 8.226 -7.310 -7.717 493 HB2 SER 61 HB2 SER 61 6.155 -9.127 -6.488 494 HB3 SER 61 HB3 SER 61 7.007 -9.365 -8.014 495 HG SER 61 HG SER 61 8.078 -10.570 -6.521 496 H LEU 62 H LEU 62 5.393 -6.369 -5.961 497 HA LEU 62 HA LEU 62 4.224 -5.494 -8.484 498 HB2 LEU 62 HB2 LEU 62 1.995 -5.552 -7.144 499 HB3 LEU 62 HB3 LEU 62 2.630 -7.016 -7.843 500 HG LEU 62 HG LEU 62 1.611 -7.221 -5.555 501 HD11 LEU 62 HD11 LEU 62 3.313 -8.764 -4.725 502 HD12 LEU 62 HD12 LEU 62 4.446 -8.125 -5.916 503 HD13 LEU 62 HD13 LEU 62 2.991 -8.959 -6.448 504 HD21 LEU 62 HD21 LEU 62 2.497 -5.195 -4.554 505 HD22 LEU 62 HD22 LEU 62 4.139 -5.818 -4.700 506 HD23 LEU 62 HD23 LEU 62 2.987 -6.616 -3.633 507 H ARG 63 H ARG 63 2.754 -3.566 -8.200 508 HA ARG 63 HA ARG 63 3.887 -1.826 -6.127 509 HB2 ARG 63 HB2 ARG 63 3.804 0.082 -7.626 510 HB3 ARG 63 HB3 ARG 63 4.844 -1.176 -8.270 511 HG2 ARG 63 HG2 ARG 63 2.007 -1.024 -9.171 512 HG3 ARG 63 HG3 ARG 63 3.188 0.117 -9.821 513 HD2 ARG 63 HD2 ARG 63 4.596 -1.968 -10.315 514 HD3 ARG 63 HD3 ARG 63 3.100 -2.862 -10.033 515 HE ARG 63 HE ARG 63 2.133 -1.798 -11.928 516 HH11 ARG 63 HH11 ARG 63 5.522 -0.965 -11.477 517 HH12 ARG 63 HH12 ARG 63 5.766 -0.511 -13.123 518 HH21 ARG 63 HH21 ARG 63 2.455 -1.169 -14.109 519 HH22 ARG 63 HH22 ARG 63 4.010 -0.619 -14.622 520 H PHE 64 H PHE 64 2.554 0.013 -5.566 521 HA PHE 64 HA PHE 64 -0.260 -0.793 -5.552 522 HB2 PHE 64 HB2 PHE 64 1.373 0.837 -3.587 523 HB3 PHE 64 HB3 PHE 64 -0.375 0.693 -3.494 524 HD1 PHE 64 HD1 PHE 64 2.475 -1.704 -3.965 525 HD2 PHE 64 HD2 PHE 64 -1.065 -0.710 -1.819 526 HE1 PHE 64 HE1 PHE 64 2.730 -3.739 -2.611 527 HE2 PHE 64 HE2 PHE 64 -0.813 -2.749 -0.464 528 HZ PHE 64 HZ PHE 64 1.083 -4.264 -0.859 529 H LEU 65 H LEU 65 -1.460 0.359 -6.915 530 HA LEU 65 HA LEU 65 -0.725 3.172 -7.371 531 HB2 LEU 65 HB2 LEU 65 -2.049 1.363 -9.369 532 HB3 LEU 65 HB3 LEU 65 -1.447 2.990 -9.634 533 HG LEU 65 HG LEU 65 0.258 0.547 -9.126 534 HD11 LEU 65 HD11 LEU 65 0.962 0.846 -11.450 535 HD12 LEU 65 HD12 LEU 65 -0.211 2.151 -11.633 536 HD13 LEU 65 HD13 LEU 65 -0.763 0.505 -11.325 537 HD21 LEU 65 HD21 LEU 65 2.138 2.009 -9.657 538 HD22 LEU 65 HD22 LEU 65 1.272 2.568 -8.227 539 HD23 LEU 65 HD23 LEU 65 1.038 3.383 -9.777 540 H PHE 66 H PHE 66 -2.271 4.603 -7.199 541 HA PHE 66 HA PHE 66 -4.986 3.640 -6.587 542 HB2 PHE 66 HB2 PHE 66 -4.079 4.665 -4.633 543 HB3 PHE 66 HB3 PHE 66 -3.467 6.026 -5.546 544 HD1 PHE 66 HD1 PHE 66 -6.825 4.401 -5.504 545 HD2 PHE 66 HD2 PHE 66 -4.519 7.898 -4.798 546 HE1 PHE 66 HE1 PHE 66 -8.885 5.652 -5.050 547 HE2 PHE 66 HE2 PHE 66 -6.579 9.168 -4.338 548 HZ PHE 66 HZ PHE 66 -8.768 8.043 -4.460 549 H GLU 67 H GLU 67 -6.147 3.892 -8.377 550 HA GLU 67 HA GLU 67 -7.053 4.777 -10.262 551 HB2 GLU 67 HB2 GLU 67 -8.181 6.861 -9.934 552 HB3 GLU 67 HB3 GLU 67 -8.098 6.057 -8.372 553 HG2 GLU 67 HG2 GLU 67 -6.493 7.548 -7.557 554 HG3 GLU 67 HG3 GLU 67 -6.088 8.138 -9.166 555 H GLY 68 H GLY 68 -4.144 4.749 -10.331 556 HA2 GLY 68 HA2 GLY 68 -2.864 5.391 -12.273 557 HA3 GLY 68 HA3 GLY 68 -3.736 6.918 -12.276 558 H GLN 69 H GLN 69 -2.995 6.241 -9.131 559 HA GLN 69 HA GLN 69 -0.750 8.096 -9.146 560 HB2 GLN 69 HB2 GLN 69 -2.628 7.061 -7.059 561 HB3 GLN 69 HB3 GLN 69 -1.119 7.832 -6.597 562 HG2 GLN 69 HG2 GLN 69 -3.053 9.155 -8.439 563 HG3 GLN 69 HG3 GLN 69 -3.228 9.232 -6.682 564 HE21 GLN 69 HE21 GLN 69 -1.074 9.980 -9.359 565 HE22 GLN 69 HE22 GLN 69 -0.241 11.250 -8.531 566 H ARG 70 H ARG 70 1.277 7.321 -9.048 567 HA ARG 70 HA ARG 70 1.686 4.615 -8.326 568 HB2 ARG 70 HB2 ARG 70 3.880 4.896 -9.179 569 HB3 ARG 70 HB3 ARG 70 2.825 5.858 -10.206 570 HG2 ARG 70 HG2 ARG 70 4.440 7.053 -7.967 571 HG3 ARG 70 HG3 ARG 70 5.038 6.902 -9.618 572 HD2 ARG 70 HD2 ARG 70 3.140 8.252 -10.410 573 HD3 ARG 70 HD3 ARG 70 2.569 8.398 -8.750 574 HE ARG 70 HE ARG 70 5.033 9.369 -8.529 575 HH11 ARG 70 HH11 ARG 70 2.556 10.032 -10.935 576 HH12 ARG 70 HH12 ARG 70 3.011 11.685 -11.143 577 HH21 ARG 70 HH21 ARG 70 5.637 11.573 -8.814 578 HH22 ARG 70 HH22 ARG 70 4.774 12.561 -9.940 579 H ILE 71 H ILE 71 1.976 3.959 -6.342 580 HA ILE 71 HA ILE 71 3.055 5.855 -4.372 581 HB ILE 71 HB ILE 71 1.356 3.381 -3.914 582 HG12 ILE 71 HG12 ILE 71 -0.137 5.192 -2.766 583 HG13 ILE 71 HG13 ILE 71 0.790 6.336 -3.724 584 HG21 ILE 71 HG21 ILE 71 2.463 5.268 -1.841 585 HG22 ILE 71 HG22 ILE 71 3.080 3.652 -2.182 586 HG23 ILE 71 HG23 ILE 71 1.446 3.854 -1.551 587 HD11 ILE 71 HD11 ILE 71 0.038 5.250 -5.761 588 HD12 ILE 71 HD12 ILE 71 -1.329 5.753 -4.772 589 HD13 ILE 71 HD13 ILE 71 -0.845 4.059 -4.810 590 H ALA 72 H ALA 72 5.273 5.511 -4.618 591 HA ALA 72 HA ALA 72 6.168 2.739 -4.362 592 HB1 ALA 72 HB1 ALA 72 7.103 4.054 -6.221 593 HB2 ALA 72 HB2 ALA 72 8.348 3.524 -5.090 594 HB3 ALA 72 HB3 ALA 72 7.779 5.194 -5.058 595 H ASP 73 H ASP 73 5.413 2.826 -2.156 596 HA ASP 73 HA ASP 73 5.645 3.002 0.107 597 HB2 ASP 73 HB2 ASP 73 8.489 2.477 -0.749 598 HB3 ASP 73 HB3 ASP 73 7.873 2.258 0.891 599 H ASN 74 H ASN 74 5.568 5.584 -0.978 600 HA ASN 74 HA ASN 74 6.972 7.025 1.091 601 HB2 ASN 74 HB2 ASN 74 8.152 8.540 -0.334 602 HB3 ASN 74 HB3 ASN 74 8.601 6.903 -0.790 603 HD21 ASN 74 HD21 ASN 74 8.702 9.409 -2.262 604 HD22 ASN 74 HD22 ASN 74 7.791 9.145 -3.705 605 H HIS 75 H HIS 75 4.750 7.012 -1.605 606 HA HIS 75 HA HIS 75 3.692 9.577 -1.375 607 HB2 HIS 75 HB2 HIS 75 3.248 7.384 -2.981 608 HB3 HIS 75 HB3 HIS 75 1.735 7.518 -2.096 609 HD1 HIS 75 HD1 HIS 75 2.889 8.396 -5.213 610 HD2 HIS 75 HD2 HIS 75 1.129 10.636 -2.184 611 HE1 HIS 75 HE1 HIS 75 1.892 10.394 -6.346 612 HE2 HIS 75 HE2 HIS 75 0.808 11.728 -4.518 613 H THR 76 H THR 76 1.848 10.368 -0.330 614 HA THR 76 HA THR 76 1.123 8.895 2.104 615 HB THR 76 HB THR 76 0.613 11.135 3.069 616 HG1 THR 76 HG1 THR 76 2.038 12.539 1.205 617 HG21 THR 76 HG21 THR 76 3.407 10.889 1.951 618 HG22 THR 76 HG22 THR 76 2.817 10.115 3.422 619 HG23 THR 76 HG23 THR 76 2.924 11.876 3.333 620 HA PRO 77 HA PRO 77 -3.116 8.741 0.884 621 HB2 PRO 77 HB2 PRO 77 -4.396 9.392 3.242 622 HB3 PRO 77 HB3 PRO 77 -3.726 7.798 2.887 623 HG2 PRO 77 HG2 PRO 77 -2.562 10.031 4.492 624 HG3 PRO 77 HG3 PRO 77 -2.529 8.287 4.807 625 HD2 PRO 77 HD2 PRO 77 -0.404 9.602 3.814 626 HD3 PRO 77 HD3 PRO 77 -0.775 7.930 3.342 627 H LYS 78 H LYS 78 -1.980 11.624 2.510 628 HA LYS 78 HA LYS 78 -4.295 13.192 1.858 629 HB2 LYS 78 HB2 LYS 78 -3.005 15.096 2.738 630 HB3 LYS 78 HB3 LYS 78 -2.944 13.729 3.834 631 HG2 LYS 78 HG2 LYS 78 -0.728 13.315 3.429 632 HG3 LYS 78 HG3 LYS 78 -0.759 14.091 1.845 633 HD2 LYS 78 HD2 LYS 78 -0.977 16.275 2.924 634 HD3 LYS 78 HD3 LYS 78 -0.941 15.506 4.508 635 HE2 LYS 78 HE2 LYS 78 1.298 14.634 4.018 636 HE3 LYS 78 HE3 LYS 78 1.256 15.431 2.447 637 HZ1 LYS 78 HZ1 LYS 78 1.067 17.566 3.586 638 HZ2 LYS 78 HZ2 LYS 78 2.480 16.758 4.038 639 HZ3 LYS 78 HZ3 LYS 78 1.156 16.794 5.087 640 H GLU 79 H GLU 79 -1.100 12.662 0.513 641 HA GLU 79 HA GLU 79 -1.175 14.773 -1.391 642 HB2 GLU 79 HB2 GLU 79 0.863 13.664 -0.488 643 HB3 GLU 79 HB3 GLU 79 0.441 12.235 -1.411 644 HG2 GLU 79 HG2 GLU 79 2.021 13.293 -2.736 645 HG3 GLU 79 HG3 GLU 79 0.492 13.809 -3.448 646 H LEU 80 H LEU 80 -2.252 11.482 -1.300 647 HA LEU 80 HA LEU 80 -2.618 11.188 -4.140 648 HB2 LEU 80 HB2 LEU 80 -3.658 9.602 -1.796 649 HB3 LEU 80 HB3 LEU 80 -3.805 9.125 -3.474 650 HG LEU 80 HG LEU 80 -1.112 9.602 -2.238 651 HD11 LEU 80 HD11 LEU 80 -2.692 7.039 -2.241 652 HD12 LEU 80 HD12 LEU 80 -2.251 8.005 -0.830 653 HD13 LEU 80 HD13 LEU 80 -0.996 7.217 -1.783 654 HD21 LEU 80 HD21 LEU 80 -0.398 8.087 -3.994 655 HD22 LEU 80 HD22 LEU 80 -1.268 9.462 -4.672 656 HD23 LEU 80 HD23 LEU 80 -2.066 7.895 -4.529 657 H GLY 81 H GLY 81 -4.347 12.735 -1.642 658 HA2 GLY 81 HA2 GLY 81 -6.316 13.932 -1.783 659 HA3 GLY 81 HA3 GLY 81 -6.483 13.382 -3.443 660 H MET 82 H MET 82 -6.049 10.942 -0.970 661 HA MET 82 HA MET 82 -8.818 10.157 -1.504 662 HB2 MET 82 HB2 MET 82 -8.172 7.880 -1.142 663 HB3 MET 82 HB3 MET 82 -7.055 8.590 -2.293 664 HG2 MET 82 HG2 MET 82 -5.426 8.890 -0.459 665 HG3 MET 82 HG3 MET 82 -6.544 8.058 0.622 666 HE1 MET 82 HE1 MET 82 -3.634 6.906 0.435 667 HE2 MET 82 HE2 MET 82 -4.028 5.193 0.269 668 HE3 MET 82 HE3 MET 82 -4.987 6.220 1.335 669 H GLU 83 H GLU 83 -9.681 8.691 0.346 670 HA GLU 83 HA GLU 83 -8.950 9.779 2.957 671 HB2 GLU 83 HB2 GLU 83 -11.624 10.069 1.609 672 HB3 GLU 83 HB3 GLU 83 -11.505 10.083 3.356 673 HG2 GLU 83 HG2 GLU 83 -10.068 11.984 3.295 674 HG3 GLU 83 HG3 GLU 83 -10.035 11.954 1.531 675 H GLU 84 H GLU 84 -11.163 8.705 4.318 676 HA GLU 84 HA GLU 84 -10.340 6.051 4.650 677 HB2 GLU 84 HB2 GLU 84 -12.444 5.899 6.107 678 HB3 GLU 84 HB3 GLU 84 -11.220 7.063 6.559 679 HG2 GLU 84 HG2 GLU 84 -13.226 8.188 6.849 680 HG3 GLU 84 HG3 GLU 84 -12.623 8.790 5.313 681 H GLU 85 H GLU 85 -11.570 4.105 4.437 682 HA GLU 85 HA GLU 85 -12.657 2.520 3.275 683 HB2 GLU 85 HB2 GLU 85 -14.620 4.005 3.956 684 HB3 GLU 85 HB3 GLU 85 -14.568 4.659 2.326 685 HG2 GLU 85 HG2 GLU 85 -14.955 2.410 1.425 686 HG3 GLU 85 HG3 GLU 85 -15.046 1.780 3.069 687 H ASP 86 H ASP 86 -10.590 4.356 1.928 688 HA ASP 86 HA ASP 86 -11.392 4.339 -0.831 689 HB2 ASP 86 HB2 ASP 86 -9.284 5.498 0.741 690 HB3 ASP 86 HB3 ASP 86 -8.631 4.744 -0.708 691 H VAL 87 H VAL 87 -9.897 3.374 -2.493 692 HA VAL 87 HA VAL 87 -8.944 0.760 -1.600 693 HB VAL 87 HB VAL 87 -11.154 0.410 -2.578 694 HG11 VAL 87 HG11 VAL 87 -11.615 0.892 -4.926 695 HG12 VAL 87 HG12 VAL 87 -10.036 1.662 -5.081 696 HG13 VAL 87 HG13 VAL 87 -11.261 2.367 -4.025 697 HG21 VAL 87 HG21 VAL 87 -9.476 -1.331 -2.896 698 HG22 VAL 87 HG22 VAL 87 -8.938 -0.560 -4.386 699 HG23 VAL 87 HG23 VAL 87 -10.556 -1.251 -4.287 700 H ILE 88 H ILE 88 -7.086 0.131 -2.405 701 HA ILE 88 HA ILE 88 -5.844 1.730 -4.563 702 HB ILE 88 HB ILE 88 -4.330 0.193 -2.442 703 HG12 ILE 88 HG12 ILE 88 -5.703 1.971 -1.358 704 HG13 ILE 88 HG13 ILE 88 -3.973 2.255 -1.211 705 HG21 ILE 88 HG21 ILE 88 -3.098 0.644 -4.466 706 HG22 ILE 88 HG22 ILE 88 -2.448 1.597 -3.129 707 HG23 ILE 88 HG23 ILE 88 -3.476 2.362 -4.341 708 HD11 ILE 88 HD11 ILE 88 -4.054 3.932 -2.901 709 HD12 ILE 88 HD12 ILE 88 -5.297 4.276 -1.699 710 HD13 ILE 88 HD13 ILE 88 -5.742 3.567 -3.251 711 H GLU 89 H GLU 89 -4.980 0.578 -6.248 712 HA GLU 89 HA GLU 89 -5.455 -2.303 -6.224 713 HB2 GLU 89 HB2 GLU 89 -4.839 -0.480 -8.543 714 HB3 GLU 89 HB3 GLU 89 -5.318 -2.168 -8.642 715 HG2 GLU 89 HG2 GLU 89 -7.270 -0.873 -7.108 716 HG3 GLU 89 HG3 GLU 89 -6.956 0.167 -8.490 717 H VAL 90 H VAL 90 -3.872 -3.766 -6.624 718 HA VAL 90 HA VAL 90 -1.135 -2.697 -6.700 719 HB VAL 90 HB VAL 90 -2.036 -5.271 -5.385 720 HG11 VAL 90 HG11 VAL 90 0.253 -5.390 -4.548 721 HG12 VAL 90 HG12 VAL 90 0.668 -3.971 -5.511 722 HG13 VAL 90 HG13 VAL 90 0.184 -5.466 -6.308 723 HG21 VAL 90 HG21 VAL 90 -1.451 -4.167 -3.291 724 HG22 VAL 90 HG22 VAL 90 -2.739 -3.303 -4.135 725 HG23 VAL 90 HG23 VAL 90 -1.084 -2.689 -4.180 726 H TYR 91 H TYR 91 -0.216 -3.030 -8.555 727 HA TYR 91 HA TYR 91 -1.092 -5.289 -10.214 728 HB2 TYR 91 HB2 TYR 91 0.328 -2.748 -10.986 729 HB3 TYR 91 HB3 TYR 91 -0.212 -3.989 -12.104 730 HD1 TYR 91 HD1 TYR 91 -2.653 -4.302 -12.500 731 HD2 TYR 91 HD2 TYR 91 -1.178 -1.147 -10.066 732 HE1 TYR 91 HE1 TYR 91 -4.815 -3.143 -12.697 733 HE2 TYR 91 HE2 TYR 91 -3.327 0.019 -10.256 734 HH TYR 91 HH TYR 91 -6.102 -1.338 -11.148 735 H GLN 92 H GLN 92 0.311 -6.806 -10.866 736 HA GLN 92 HA GLN 92 2.943 -6.876 -9.668 737 HB2 GLN 92 HB2 GLN 92 1.767 -8.938 -9.605 738 HB3 GLN 92 HB3 GLN 92 1.317 -8.824 -11.298 739 HG2 GLN 92 HG2 GLN 92 3.012 -10.527 -10.964 740 HG3 GLN 92 HG3 GLN 92 3.635 -9.204 -11.947 741 HE21 GLN 92 HE21 GLN 92 5.747 -9.692 -11.484 742 HE22 GLN 92 HE22 GLN 92 6.453 -9.392 -9.936 743 H GLU 93 H GLU 93 4.702 -6.090 -10.618 744 HA GLU 93 HA GLU 93 5.258 -6.480 -13.399 745 HB2 GLU 93 HB2 GLU 93 3.614 -4.707 -13.673 746 HB3 GLU 93 HB3 GLU 93 4.465 -3.691 -12.523 747 HG2 GLU 93 HG2 GLU 93 5.018 -2.843 -14.629 748 HG3 GLU 93 HG3 GLU 93 6.425 -3.779 -14.128 749 H GLN 94 H GLN 94 5.869 -4.335 -10.702 750 HA GLN 94 HA GLN 94 8.589 -3.782 -11.293 751 HB2 GLN 94 HB2 GLN 94 7.105 -2.351 -9.947 752 HB3 GLN 94 HB3 GLN 94 7.131 -3.564 -8.678 753 HG2 GLN 94 HG2 GLN 94 9.540 -3.225 -8.416 754 HG3 GLN 94 HG3 GLN 94 9.493 -1.986 -9.670 755 HE21 GLN 94 HE21 GLN 94 8.511 -2.825 -6.441 756 HE22 GLN 94 HE22 GLN 94 8.181 -1.212 -5.911 757 H THR 95 H THR 95 8.879 -6.268 -11.600 758 HA THR 95 HA THR 95 9.563 -7.625 -9.107 759 HB THR 95 HB THR 95 8.223 -8.840 -10.827 760 HG1 THR 95 HG1 THR 95 10.299 -9.736 -9.460 761 HG21 THR 95 HG21 THR 95 9.331 -9.675 -12.852 762 HG22 THR 95 HG22 THR 95 10.772 -8.742 -12.449 763 HG23 THR 95 HG23 THR 95 9.266 -7.913 -12.838 764 H GLY 96 H GLY 96 11.140 -5.366 -10.354 765 HA2 GLY 96 HA2 GLY 96 13.725 -6.408 -9.839 766 HA3 GLY 96 HA3 GLY 96 13.480 -6.178 -11.566 767 H GLY 97 H GLY 97 12.741 -4.353 -8.584 768 HA2 GLY 97 HA2 GLY 97 14.423 -2.306 -8.651 769 HA3 GLY 97 HA3 GLY 97 13.354 -1.882 -9.984 Start of MODEL 13 1 H MET 1 H MET 1 11.355 27.974 38.505 2 HA MET 1 HA MET 1 9.381 28.712 37.414 3 HB2 MET 1 HB2 MET 1 9.463 30.355 35.632 4 HB3 MET 1 HB3 MET 1 10.078 31.066 37.116 5 HG2 MET 1 HG2 MET 1 12.342 30.805 36.347 6 HG3 MET 1 HG3 MET 1 11.780 29.972 34.903 7 HE1 MET 1 HE1 MET 1 9.235 31.681 34.013 8 HE2 MET 1 HE2 MET 1 10.501 31.094 32.936 9 HE3 MET 1 HE3 MET 1 10.018 32.790 32.886 10 H SER 2 H SER 2 8.783 27.977 35.271 11 HA SER 2 HA SER 2 10.784 26.129 34.174 12 HB2 SER 2 HB2 SER 2 7.776 26.122 33.822 13 HB3 SER 2 HB3 SER 2 8.891 24.888 33.243 14 HG SER 2 HG SER 2 9.345 25.263 35.831 15 H ASP 3 H ASP 3 10.058 25.688 31.667 16 HA ASP 3 HA ASP 3 10.724 28.149 30.365 17 HB2 ASP 3 HB2 ASP 3 10.853 26.827 28.331 18 HB3 ASP 3 HB3 ASP 3 11.681 25.993 29.639 19 H GLN 4 H GLN 4 9.545 29.028 28.557 20 HA GLN 4 HA GLN 4 6.734 29.265 29.203 21 HB2 GLN 4 HB2 GLN 4 6.695 31.146 27.632 22 HB3 GLN 4 HB3 GLN 4 8.021 31.302 28.774 23 HG2 GLN 4 HG2 GLN 4 8.373 30.178 26.007 24 HG3 GLN 4 HG3 GLN 4 8.522 31.896 26.371 25 HE21 GLN 4 HE21 GLN 4 10.474 29.894 25.410 26 HE22 GLN 4 HE22 GLN 4 11.792 29.970 26.529 27 H GLU 5 H GLU 5 7.785 26.862 27.836 28 HA GLU 5 HA GLU 5 6.036 26.954 25.468 29 HB2 GLU 5 HB2 GLU 5 8.374 26.494 24.879 30 HB3 GLU 5 HB3 GLU 5 8.401 25.142 26.001 31 HG2 GLU 5 HG2 GLU 5 6.656 24.036 24.635 32 HG3 GLU 5 HG3 GLU 5 6.774 25.361 23.481 33 H ALA 6 H ALA 6 4.769 25.066 25.053 34 HA ALA 6 HA ALA 6 3.450 24.002 27.294 35 HB1 ALA 6 HB1 ALA 6 2.404 24.126 25.081 36 HB2 ALA 6 HB2 ALA 6 2.375 22.475 25.700 37 HB3 ALA 6 HB3 ALA 6 3.551 22.934 24.467 38 H LYS 7 H LYS 7 3.817 22.188 28.482 39 HA LYS 7 HA LYS 7 6.393 21.136 28.534 40 HB2 LYS 7 HB2 LYS 7 5.548 19.500 30.131 41 HB3 LYS 7 HB3 LYS 7 5.000 21.124 30.502 42 HG2 LYS 7 HG2 LYS 7 2.811 20.593 29.524 43 HG3 LYS 7 HG3 LYS 7 3.376 18.955 29.184 44 HD2 LYS 7 HD2 LYS 7 3.188 20.212 31.924 45 HD3 LYS 7 HD3 LYS 7 2.041 19.054 31.242 46 HE2 LYS 7 HE2 LYS 7 3.702 17.345 31.172 47 HE3 LYS 7 HE3 LYS 7 4.977 18.472 31.618 48 HZ1 LYS 7 HZ1 LYS 7 2.687 17.710 33.352 49 HZ2 LYS 7 HZ2 LYS 7 3.949 18.744 33.777 50 HZ3 LYS 7 HZ3 LYS 7 4.261 17.113 33.497 51 HA PRO 8 HA PRO 8 6.566 18.082 25.369 52 HB2 PRO 8 HB2 PRO 8 8.334 16.377 26.605 53 HB3 PRO 8 HB3 PRO 8 8.809 17.853 25.754 54 HG2 PRO 8 HG2 PRO 8 8.405 17.384 28.682 55 HG3 PRO 8 HG3 PRO 8 9.686 18.303 27.865 56 HD2 PRO 8 HD2 PRO 8 7.627 19.520 29.046 57 HD3 PRO 8 HD3 PRO 8 8.306 20.141 27.530 58 H SER 9 H SER 9 5.981 17.200 28.652 59 HA SER 9 HA SER 9 5.091 14.534 28.011 60 HB2 SER 9 HB2 SER 9 4.881 16.001 30.641 61 HB3 SER 9 HB3 SER 9 4.756 14.264 30.381 62 HG SER 9 HG SER 9 6.958 15.806 30.704 63 H THR 10 H THR 10 3.008 13.830 28.994 64 HA THR 10 HA THR 10 0.853 15.745 28.583 65 HB THR 10 HB THR 10 -0.302 13.882 27.181 66 HG1 THR 10 HG1 THR 10 0.926 12.346 26.435 67 HG21 THR 10 HG21 THR 10 0.556 14.853 25.092 68 HG22 THR 10 HG22 THR 10 1.890 15.586 25.987 69 HG23 THR 10 HG23 THR 10 0.229 16.096 26.301 70 H GLU 11 H GLU 11 -1.313 14.470 28.904 71 HA GLU 11 HA GLU 11 -1.048 13.060 31.429 72 HB2 GLU 11 HB2 GLU 11 -3.535 13.244 31.488 73 HB3 GLU 11 HB3 GLU 11 -2.721 14.792 31.367 74 HG2 GLU 11 HG2 GLU 11 -3.733 13.409 28.911 75 HG3 GLU 11 HG3 GLU 11 -4.823 14.346 29.931 76 H ASP 12 H ASP 12 -2.968 11.268 31.580 77 HA ASP 12 HA ASP 12 -2.143 9.245 29.670 78 HB2 ASP 12 HB2 ASP 12 -2.274 8.701 32.085 79 HB3 ASP 12 HB3 ASP 12 -4.005 9.012 32.046 80 H LEU 13 H LEU 13 -4.494 11.533 29.834 81 HA LEU 13 HA LEU 13 -6.641 10.048 28.635 82 HB2 LEU 13 HB2 LEU 13 -6.224 13.018 28.919 83 HB3 LEU 13 HB3 LEU 13 -7.684 12.272 28.307 84 HG LEU 13 HG LEU 13 -6.575 11.938 31.077 85 HD11 LEU 13 HD11 LEU 13 -7.475 14.167 30.704 86 HD12 LEU 13 HD12 LEU 13 -8.529 13.241 31.773 87 HD13 LEU 13 HD13 LEU 13 -8.971 13.471 30.081 88 HD21 LEU 13 HD21 LEU 13 -9.108 10.895 29.825 89 HD22 LEU 13 HD22 LEU 13 -8.718 10.814 31.542 90 HD23 LEU 13 HD23 LEU 13 -7.728 9.942 30.373 91 H GLY 14 H GLY 14 -7.369 10.189 26.530 92 HA2 GLY 14 HA2 GLY 14 -5.221 10.629 24.607 93 HA3 GLY 14 HA3 GLY 14 -6.750 9.814 24.299 94 H ASP 15 H ASP 15 -7.135 12.681 25.984 95 HA ASP 15 HA ASP 15 -8.635 13.901 23.931 96 HB2 ASP 15 HB2 ASP 15 -8.971 14.265 26.383 97 HB3 ASP 15 HB3 ASP 15 -7.496 15.225 26.394 98 H LYS 16 H LYS 16 -5.338 14.378 25.076 99 HA LYS 16 HA LYS 16 -4.947 16.521 23.140 100 HB2 LYS 16 HB2 LYS 16 -3.390 15.547 25.503 101 HB3 LYS 16 HB3 LYS 16 -2.575 16.485 24.262 102 HG2 LYS 16 HG2 LYS 16 -3.270 17.914 26.092 103 HG3 LYS 16 HG3 LYS 16 -4.149 18.330 24.623 104 HD2 LYS 16 HD2 LYS 16 -6.069 17.006 25.433 105 HD3 LYS 16 HD3 LYS 16 -5.183 16.676 26.925 106 HE2 LYS 16 HE2 LYS 16 -5.142 19.018 27.473 107 HE3 LYS 16 HE3 LYS 16 -5.875 19.430 25.924 108 HZ1 LYS 16 HZ1 LYS 16 -7.145 17.906 28.126 109 HZ2 LYS 16 HZ2 LYS 16 -7.844 18.147 26.611 110 HZ3 LYS 16 HZ3 LYS 16 -7.540 19.470 27.625 111 H LYS 17 H LYS 17 -4.997 13.405 22.893 112 HA LYS 17 HA LYS 17 -2.465 12.832 21.671 113 HB2 LYS 17 HB2 LYS 17 -4.600 11.309 22.624 114 HB3 LYS 17 HB3 LYS 17 -4.605 11.042 20.888 115 HG2 LYS 17 HG2 LYS 17 -2.253 10.624 22.717 116 HG3 LYS 17 HG3 LYS 17 -3.297 9.359 22.068 117 HD2 LYS 17 HD2 LYS 17 -1.654 11.245 20.380 118 HD3 LYS 17 HD3 LYS 17 -1.132 9.629 20.856 119 HE2 LYS 17 HE2 LYS 17 -3.166 8.717 19.740 120 HE3 LYS 17 HE3 LYS 17 -3.522 10.347 19.165 121 HZ1 LYS 17 HZ1 LYS 17 -1.518 10.367 17.899 122 HZ2 LYS 17 HZ2 LYS 17 -2.317 8.912 17.542 123 HZ3 LYS 17 HZ3 LYS 17 -0.997 8.917 18.591 124 H GLU 18 H GLU 18 -1.907 13.577 19.751 125 HA GLU 18 HA GLU 18 -3.969 14.410 17.880 126 HB2 GLU 18 HB2 GLU 18 -0.972 14.679 17.646 127 HB3 GLU 18 HB3 GLU 18 -2.186 15.495 16.670 128 HG2 GLU 18 HG2 GLU 18 -2.967 16.690 18.650 129 HG3 GLU 18 HG3 GLU 18 -1.732 15.885 19.615 130 H GLY 19 H GLY 19 -4.709 12.919 16.540 131 HA2 GLY 19 HA2 GLY 19 -3.017 11.625 14.715 132 HA3 GLY 19 HA3 GLY 19 -3.437 10.495 15.992 133 H GLU 20 H GLU 20 -4.418 11.950 13.097 134 HA GLU 20 HA GLU 20 -7.120 10.922 13.385 135 HB2 GLU 20 HB2 GLU 20 -5.774 12.652 11.323 136 HB3 GLU 20 HB3 GLU 20 -7.320 11.881 11.001 137 HG2 GLU 20 HG2 GLU 20 -6.703 13.881 13.155 138 HG3 GLU 20 HG3 GLU 20 -7.707 14.120 11.725 139 H TYR 21 H TYR 21 -7.521 8.923 12.776 140 HA TYR 21 HA TYR 21 -5.714 7.721 10.796 141 HB2 TYR 21 HB2 TYR 21 -7.158 6.228 12.992 142 HB3 TYR 21 HB3 TYR 21 -5.955 5.607 11.861 143 HD1 TYR 21 HD1 TYR 21 -6.456 7.784 14.809 144 HD2 TYR 21 HD2 TYR 21 -3.611 5.843 12.314 145 HE1 TYR 21 HE1 TYR 21 -4.698 8.280 16.446 146 HE2 TYR 21 HE2 TYR 21 -1.838 6.342 13.950 147 HH TYR 21 HH TYR 21 -1.365 7.873 15.742 148 H ILE 22 H ILE 22 -6.637 6.634 9.103 149 HA ILE 22 HA ILE 22 -9.546 6.336 9.153 150 HB ILE 22 HB ILE 22 -9.419 6.711 6.667 151 HG12 ILE 22 HG12 ILE 22 -6.953 8.303 7.075 152 HG13 ILE 22 HG13 ILE 22 -6.773 6.556 6.939 153 HG21 ILE 22 HG21 ILE 22 -10.388 8.376 8.104 154 HG22 ILE 22 HG22 ILE 22 -9.431 9.173 6.856 155 HG23 ILE 22 HG23 ILE 22 -8.794 9.023 8.495 156 HD11 ILE 22 HD11 ILE 22 -8.064 8.385 4.951 157 HD12 ILE 22 HD12 ILE 22 -7.999 6.622 4.843 158 HD13 ILE 22 HD13 ILE 22 -6.503 7.565 4.800 159 H LYS 23 H LYS 23 -10.295 4.586 7.869 160 HA LYS 23 HA LYS 23 -8.255 2.511 7.535 161 HB2 LYS 23 HB2 LYS 23 -10.231 0.903 7.618 162 HB3 LYS 23 HB3 LYS 23 -9.836 1.728 9.113 163 HG2 LYS 23 HG2 LYS 23 -12.151 1.828 9.048 164 HG3 LYS 23 HG3 LYS 23 -11.674 3.403 8.418 165 HD2 LYS 23 HD2 LYS 23 -11.901 2.414 6.107 166 HD3 LYS 23 HD3 LYS 23 -12.634 1.004 6.874 167 HE2 LYS 23 HE2 LYS 23 -13.635 3.838 7.078 168 HE3 LYS 23 HE3 LYS 23 -14.309 2.589 6.035 169 HZ1 LYS 23 HZ1 LYS 23 -14.881 1.305 8.002 170 HZ2 LYS 23 HZ2 LYS 23 -15.588 2.837 8.072 171 HZ3 LYS 23 HZ3 LYS 23 -14.224 2.497 9.005 172 H LEU 24 H LEU 24 -7.917 1.556 5.634 173 HA LEU 24 HA LEU 24 -9.720 2.193 3.427 174 HB2 LEU 24 HB2 LEU 24 -6.727 2.186 3.085 175 HB3 LEU 24 HB3 LEU 24 -7.945 2.696 1.946 176 HG LEU 24 HG LEU 24 -8.462 4.501 3.788 177 HD11 LEU 24 HD11 LEU 24 -5.571 3.823 4.311 178 HD12 LEU 24 HD12 LEU 24 -6.908 3.627 5.444 179 HD13 LEU 24 HD13 LEU 24 -6.423 5.239 4.921 180 HD21 LEU 24 HD21 LEU 24 -6.866 5.990 2.649 181 HD22 LEU 24 HD22 LEU 24 -7.801 4.993 1.532 182 HD23 LEU 24 HD23 LEU 24 -6.129 4.572 1.899 183 H LYS 25 H LYS 25 -8.642 0.839 1.408 184 HA LYS 25 HA LYS 25 -8.051 -1.859 2.297 185 HB2 LYS 25 HB2 LYS 25 -10.424 -1.944 2.377 186 HB3 LYS 25 HB3 LYS 25 -10.566 -1.077 0.859 187 HG2 LYS 25 HG2 LYS 25 -9.081 -3.525 0.499 188 HG3 LYS 25 HG3 LYS 25 -10.646 -3.840 1.252 189 HD2 LYS 25 HD2 LYS 25 -10.186 -2.291 -1.302 190 HD3 LYS 25 HD3 LYS 25 -10.807 -3.940 -1.189 191 HE2 LYS 25 HE2 LYS 25 -12.732 -3.110 0.086 192 HE3 LYS 25 HE3 LYS 25 -12.106 -1.473 -0.056 193 HZ1 LYS 25 HZ1 LYS 25 -13.818 -1.873 -1.675 194 HZ2 LYS 25 HZ2 LYS 25 -12.981 -3.195 -2.306 195 HZ3 LYS 25 HZ3 LYS 25 -12.344 -1.642 -2.463 196 H VAL 26 H VAL 26 -7.026 -3.069 0.744 197 HA VAL 26 HA VAL 26 -6.705 -1.850 -1.909 198 HB VAL 26 HB VAL 26 -4.340 -1.970 -1.955 199 HG11 VAL 26 HG11 VAL 26 -4.966 -1.003 0.818 200 HG12 VAL 26 HG12 VAL 26 -5.231 -0.074 -0.648 201 HG13 VAL 26 HG13 VAL 26 -3.590 -0.535 -0.181 202 HG21 VAL 26 HG21 VAL 26 -2.962 -2.954 -0.195 203 HG22 VAL 26 HG22 VAL 26 -4.064 -4.137 -0.899 204 HG23 VAL 26 HG23 VAL 26 -4.420 -3.424 0.674 205 H ILE 27 H ILE 27 -6.492 -3.257 -3.576 206 HA ILE 27 HA ILE 27 -6.457 -6.129 -2.895 207 HB ILE 27 HB ILE 27 -7.999 -4.811 -5.135 208 HG12 ILE 27 HG12 ILE 27 -9.138 -6.091 -2.667 209 HG13 ILE 27 HG13 ILE 27 -8.776 -4.371 -2.742 210 HG21 ILE 27 HG21 ILE 27 -7.303 -7.105 -5.632 211 HG22 ILE 27 HG22 ILE 27 -9.048 -7.008 -5.407 212 HG23 ILE 27 HG23 ILE 27 -8.029 -7.656 -4.122 213 HD11 ILE 27 HD11 ILE 27 -10.682 -5.853 -4.532 214 HD12 ILE 27 HD12 ILE 27 -10.321 -4.124 -4.593 215 HD13 ILE 27 HD13 ILE 27 -11.118 -4.809 -3.178 216 H GLY 28 H GLY 28 -5.138 -7.381 -4.096 217 HA2 GLY 28 HA2 GLY 28 -3.632 -5.987 -6.213 218 HA3 GLY 28 HA3 GLY 28 -2.884 -7.137 -5.108 219 H GLN 29 H GLN 29 -2.372 -7.637 -7.578 220 HA GLN 29 HA GLN 29 -4.270 -9.087 -9.076 221 HB2 GLN 29 HB2 GLN 29 -2.479 -9.674 -10.527 222 HB3 GLN 29 HB3 GLN 29 -2.177 -8.044 -9.954 223 HG2 GLN 29 HG2 GLN 29 -0.828 -10.538 -8.945 224 HG3 GLN 29 HG3 GLN 29 -0.131 -9.367 -10.061 225 HE21 GLN 29 HE21 GLN 29 -0.780 -10.159 -6.811 226 HE22 GLN 29 HE22 GLN 29 -0.011 -8.786 -6.084 227 H ASP 30 H ASP 30 -2.894 -9.921 -6.204 228 HA ASP 30 HA ASP 30 -2.657 -12.773 -6.671 229 HB2 ASP 30 HB2 ASP 30 -1.206 -11.583 -5.020 230 HB3 ASP 30 HB3 ASP 30 -2.637 -11.190 -4.082 231 H SER 31 H SER 31 -5.123 -10.659 -6.449 232 HA SER 31 HA SER 31 -7.357 -10.786 -6.160 233 HB2 SER 31 HB2 SER 31 -7.181 -13.028 -7.243 234 HB3 SER 31 HB3 SER 31 -6.953 -13.755 -5.655 235 HG SER 31 HG SER 31 -9.062 -12.542 -5.216 236 H SER 32 H SER 32 -5.217 -10.868 -3.874 237 HA SER 32 HA SER 32 -7.033 -11.386 -1.653 238 HB2 SER 32 HB2 SER 32 -4.048 -10.904 -1.747 239 HB3 SER 32 HB3 SER 32 -4.969 -11.179 -0.264 240 HG SER 32 HG SER 32 -3.980 -12.965 -2.008 241 H GLU 33 H GLU 33 -6.826 -9.762 0.194 242 HA GLU 33 HA GLU 33 -6.252 -7.073 -0.653 243 HB2 GLU 33 HB2 GLU 33 -8.420 -6.157 -0.351 244 HB3 GLU 33 HB3 GLU 33 -8.626 -7.553 -1.394 245 HG2 GLU 33 HG2 GLU 33 -9.136 -7.604 1.572 246 HG3 GLU 33 HG3 GLU 33 -10.372 -7.248 0.370 247 H ILE 34 H ILE 34 -6.480 -5.536 1.165 248 HA ILE 34 HA ILE 34 -6.632 -6.773 3.806 249 HB ILE 34 HB ILE 34 -4.240 -6.899 3.196 250 HG12 ILE 34 HG12 ILE 34 -4.611 -4.778 5.293 251 HG13 ILE 34 HG13 ILE 34 -5.106 -6.449 5.560 252 HG21 ILE 34 HG21 ILE 34 -2.942 -4.798 3.053 253 HG22 ILE 34 HG22 ILE 34 -4.464 -3.904 2.990 254 HG23 ILE 34 HG23 ILE 34 -4.050 -5.042 1.705 255 HD11 ILE 34 HD11 ILE 34 -2.334 -5.512 4.904 256 HD12 ILE 34 HD12 ILE 34 -2.844 -7.174 5.219 257 HD13 ILE 34 HD13 ILE 34 -2.928 -5.968 6.502 258 H HIS 35 H HIS 35 -7.260 -5.389 5.419 259 HA HIS 35 HA HIS 35 -7.936 -2.632 4.620 260 HB2 HIS 35 HB2 HIS 35 -9.144 -4.375 6.796 261 HB3 HIS 35 HB3 HIS 35 -9.571 -2.697 6.504 262 HD1 HIS 35 HD1 HIS 35 -12.036 -3.657 6.202 263 HD2 HIS 35 HD2 HIS 35 -9.308 -4.744 3.264 264 HE1 HIS 35 HE1 HIS 35 -13.411 -4.574 4.321 265 HE2 HIS 35 HE2 HIS 35 -11.726 -5.475 2.693 266 H PHE 36 H PHE 36 -7.249 -0.961 5.969 267 HA PHE 36 HA PHE 36 -5.847 -1.601 8.426 268 HB2 PHE 36 HB2 PHE 36 -3.782 -0.312 7.594 269 HB3 PHE 36 HB3 PHE 36 -3.972 -1.965 7.031 270 HD1 PHE 36 HD1 PHE 36 -4.472 1.577 6.054 271 HD2 PHE 36 HD2 PHE 36 -4.094 -2.458 4.771 272 HE1 PHE 36 HE1 PHE 36 -4.338 2.333 3.721 273 HE2 PHE 36 HE2 PHE 36 -3.955 -1.711 2.446 274 HZ PHE 36 HZ PHE 36 -4.084 0.691 1.913 275 HH31 ALY 37 HH31 ALY 37 -8.443 0.924 16.469 276 HH32 ALY 37 HH32 ALY 37 -7.799 -0.327 17.551 277 HH33 ALY 37 HH33 ALY 37 -9.112 -0.700 16.415 278 HZ ALY 37 HZ ALY 37 -8.445 0.037 14.090 279 HE3 ALY 37 HE3 ALY 37 -5.758 -0.836 13.357 280 HE2 ALY 37 HE2 ALY 37 -7.104 -1.907 12.969 281 HD3 ALY 37 HD3 ALY 37 -6.539 -0.533 11.048 282 HD2 ALY 37 HD2 ALY 37 -8.141 -0.111 11.655 283 HG3 ALY 37 HG3 ALY 37 -7.078 1.767 12.927 284 HG2 ALY 37 HG2 ALY 37 -5.568 1.396 12.095 285 HB3 ALY 37 HB3 ALY 37 -8.080 1.918 10.552 286 HB2 ALY 37 HB2 ALY 37 -7.130 3.248 11.178 287 HCA ALY 37 HCA ALY 37 -6.692 2.658 8.766 288 H ALY 37 H ALY 37 -5.482 0.188 9.752 289 H VAL 38 H VAL 38 -5.131 3.856 8.074 290 HA VAL 38 HA VAL 38 -2.638 4.016 9.596 291 HB VAL 38 HB VAL 38 -1.681 5.106 7.592 292 HG11 VAL 38 HG11 VAL 38 -1.482 2.703 7.875 293 HG12 VAL 38 HG12 VAL 38 -1.635 3.116 6.168 294 HG13 VAL 38 HG13 VAL 38 -3.017 2.463 7.047 295 HG21 VAL 38 HG21 VAL 38 -3.706 6.125 6.692 296 HG22 VAL 38 HG22 VAL 38 -4.370 4.530 6.342 297 HG23 VAL 38 HG23 VAL 38 -2.940 5.098 5.480 298 H LYS 39 H LYS 39 -1.655 6.385 8.958 299 HA LYS 39 HA LYS 39 -3.360 8.174 10.503 300 HB2 LYS 39 HB2 LYS 39 -0.506 8.591 9.593 301 HB3 LYS 39 HB3 LYS 39 -1.372 9.528 10.798 302 HG2 LYS 39 HG2 LYS 39 -1.426 7.640 12.293 303 HG3 LYS 39 HG3 LYS 39 -0.678 6.613 11.068 304 HD2 LYS 39 HD2 LYS 39 1.316 8.091 11.116 305 HD3 LYS 39 HD3 LYS 39 0.570 9.005 12.428 306 HE2 LYS 39 HE2 LYS 39 0.528 6.998 13.817 307 HE3 LYS 39 HE3 LYS 39 1.228 6.061 12.501 308 HZ1 LYS 39 HZ1 LYS 39 2.907 6.674 14.101 309 HZ2 LYS 39 HZ2 LYS 39 2.544 8.312 13.931 310 HZ3 LYS 39 HZ3 LYS 39 3.215 7.458 12.636 311 H MET 40 H MET 40 -3.736 10.352 9.808 312 HA MET 40 HA MET 40 -4.620 10.750 7.228 313 HB2 MET 40 HB2 MET 40 -5.150 12.214 9.155 314 HB3 MET 40 HB3 MET 40 -3.519 12.857 9.095 315 HG2 MET 40 HG2 MET 40 -4.910 14.463 8.072 316 HG3 MET 40 HG3 MET 40 -4.037 13.670 6.767 317 HE1 MET 40 HE1 MET 40 -5.321 11.336 5.580 318 HE2 MET 40 HE2 MET 40 -5.154 12.845 4.691 319 HE3 MET 40 HE3 MET 40 -6.687 11.977 4.670 320 H THR 41 H THR 41 -1.473 11.538 8.592 321 HA THR 41 HA THR 41 -0.452 11.690 5.835 322 HB THR 41 HB THR 41 1.111 13.417 6.495 323 HG1 THR 41 HG1 THR 41 1.143 12.415 8.800 324 HG21 THR 41 HG21 THR 41 -0.367 15.230 6.998 325 HG22 THR 41 HG22 THR 41 -1.489 14.155 7.829 326 HG23 THR 41 HG23 THR 41 -1.328 14.058 6.087 327 H THR 42 H THR 42 0.830 9.931 5.482 328 HA THR 42 HA THR 42 3.035 9.295 7.107 329 HB THR 42 HB THR 42 1.213 8.303 8.552 330 HG1 THR 42 HG1 THR 42 2.698 6.126 7.581 331 HG21 THR 42 HG21 THR 42 -0.296 7.565 6.757 332 HG22 THR 42 HG22 THR 42 0.154 6.216 7.803 333 HG23 THR 42 HG23 THR 42 0.918 6.399 6.223 334 H HIS 43 H HIS 43 4.298 7.541 6.203 335 HA HIS 43 HA HIS 43 4.074 7.297 3.375 336 HB2 HIS 43 HB2 HIS 43 5.744 5.786 5.381 337 HB3 HIS 43 HB3 HIS 43 5.872 5.556 3.645 338 HD1 HIS 43 HD1 HIS 43 7.914 6.861 5.950 339 HD2 HIS 43 HD2 HIS 43 6.050 8.672 2.705 340 HE1 HIS 43 HE1 HIS 43 9.319 8.871 5.399 341 HE2 HIS 43 HE2 HIS 43 8.262 9.853 3.336 342 H LEU 44 H LEU 44 2.900 5.873 2.212 343 HA LEU 44 HA LEU 44 1.216 3.969 3.424 344 HB2 LEU 44 HB2 LEU 44 2.069 4.208 0.545 345 HB3 LEU 44 HB3 LEU 44 0.765 3.190 1.119 346 HG LEU 44 HG LEU 44 0.879 6.195 1.106 347 HD11 LEU 44 HD11 LEU 44 -1.189 5.923 -0.232 348 HD12 LEU 44 HD12 LEU 44 -0.895 4.182 -0.251 349 HD13 LEU 44 HD13 LEU 44 0.261 5.286 -0.999 350 HD21 LEU 44 HD21 LEU 44 -1.169 4.387 2.390 351 HD22 LEU 44 HD22 LEU 44 -1.387 6.111 2.109 352 HD23 LEU 44 HD23 LEU 44 -0.125 5.551 3.207 353 H LYS 45 H LYS 45 4.489 3.799 2.829 354 HA LYS 45 HA LYS 45 4.951 1.173 2.089 355 HB2 LYS 45 HB2 LYS 45 6.630 3.038 2.316 356 HB3 LYS 45 HB3 LYS 45 6.579 2.805 4.049 357 HG2 LYS 45 HG2 LYS 45 7.256 0.520 2.259 358 HG3 LYS 45 HG3 LYS 45 8.478 1.730 2.624 359 HD2 LYS 45 HD2 LYS 45 6.964 0.046 4.620 360 HD3 LYS 45 HD3 LYS 45 8.646 -0.169 4.132 361 HE2 LYS 45 HE2 LYS 45 9.179 2.052 5.044 362 HE3 LYS 45 HE3 LYS 45 7.505 2.243 5.554 363 HZ1 LYS 45 HZ1 LYS 45 8.823 1.542 7.394 364 HZ2 LYS 45 HZ2 LYS 45 9.429 0.223 6.541 365 HZ3 LYS 45 HZ3 LYS 45 7.791 0.267 6.971 366 H LYS 46 H LYS 46 3.868 2.504 5.139 367 HA LYS 46 HA LYS 46 4.422 0.405 6.866 368 HB2 LYS 46 HB2 LYS 46 3.694 2.553 7.678 369 HB3 LYS 46 HB3 LYS 46 2.186 2.434 6.789 370 HG2 LYS 46 HG2 LYS 46 2.762 0.340 8.779 371 HG3 LYS 46 HG3 LYS 46 2.360 1.952 9.384 372 HD2 LYS 46 HD2 LYS 46 0.283 1.884 8.045 373 HD3 LYS 46 HD3 LYS 46 0.699 0.259 7.506 374 HE2 LYS 46 HE2 LYS 46 0.224 1.121 10.349 375 HE3 LYS 46 HE3 LYS 46 -0.907 0.218 9.340 376 HZ1 LYS 46 HZ1 LYS 46 1.792 -0.737 10.168 377 HZ2 LYS 46 HZ2 LYS 46 0.671 -1.612 9.247 378 HZ3 LYS 46 HZ3 LYS 46 0.327 -1.228 10.854 379 H LEU 47 H LEU 47 1.463 1.095 5.073 380 HA LEU 47 HA LEU 47 0.116 -1.256 5.738 381 HB2 LEU 47 HB2 LEU 47 -1.471 -0.768 4.067 382 HB3 LEU 47 HB3 LEU 47 -0.914 0.769 4.688 383 HG LEU 47 HG LEU 47 0.723 0.534 2.579 384 HD11 LEU 47 HD11 LEU 47 -0.527 -0.324 0.673 385 HD12 LEU 47 HD12 LEU 47 -1.810 -0.870 1.754 386 HD13 LEU 47 HD13 LEU 47 -0.202 -1.591 1.857 387 HD21 LEU 47 HD21 LEU 47 -0.902 1.948 1.376 388 HD22 LEU 47 HD22 LEU 47 -0.605 2.439 3.044 389 HD23 LEU 47 HD23 LEU 47 -2.090 1.575 2.632 390 H LYS 48 H LYS 48 2.495 -0.646 3.221 391 HA LYS 48 HA LYS 48 2.204 -3.029 1.761 392 HB2 LYS 48 HB2 LYS 48 4.474 -1.173 2.269 393 HB3 LYS 48 HB3 LYS 48 4.860 -2.764 1.641 394 HG2 LYS 48 HG2 LYS 48 4.716 -1.333 -0.204 395 HG3 LYS 48 HG3 LYS 48 3.236 -2.295 -0.223 396 HD2 LYS 48 HD2 LYS 48 1.952 -0.483 0.585 397 HD3 LYS 48 HD3 LYS 48 3.393 0.457 0.991 398 HE2 LYS 48 HE2 LYS 48 2.178 -0.122 -1.674 399 HE3 LYS 48 HE3 LYS 48 2.715 1.417 -1.003 400 HZ1 LYS 48 HZ1 LYS 48 4.290 0.791 -2.644 401 HZ2 LYS 48 HZ2 LYS 48 4.395 -0.787 -2.050 402 HZ3 LYS 48 HZ3 LYS 48 5.037 0.482 -1.147 403 H GLU 49 H GLU 49 4.306 -2.332 4.552 404 HA GLU 49 HA GLU 49 5.310 -4.883 4.948 405 HB2 GLU 49 HB2 GLU 49 4.587 -2.894 7.090 406 HB3 GLU 49 HB3 GLU 49 5.752 -4.206 7.224 407 HG2 GLU 49 HG2 GLU 49 7.053 -3.139 5.431 408 HG3 GLU 49 HG3 GLU 49 5.942 -1.780 5.474 409 H SER 50 H SER 50 2.454 -3.370 6.363 410 HA SER 50 HA SER 50 1.577 -5.525 7.894 411 HB2 SER 50 HB2 SER 50 -0.184 -3.523 6.466 412 HB3 SER 50 HB3 SER 50 -0.574 -4.430 7.929 413 HG SER 50 HG SER 50 1.735 -3.143 8.303 414 H TYR 51 H TYR 51 1.232 -4.893 4.468 415 HA TYR 51 HA TYR 51 -0.687 -6.966 3.970 416 HB2 TYR 51 HB2 TYR 51 -0.196 -4.905 2.506 417 HB3 TYR 51 HB3 TYR 51 1.217 -5.783 1.940 418 HD1 TYR 51 HD1 TYR 51 0.438 -8.407 1.325 419 HD2 TYR 51 HD2 TYR 51 -1.909 -4.886 0.987 420 HE1 TYR 51 HE1 TYR 51 -0.936 -9.499 -0.396 421 HE2 TYR 51 HE2 TYR 51 -3.301 -5.975 -0.744 422 HH TYR 51 HH TYR 51 -3.219 -9.283 -1.321 423 H CYS 52 H CYS 52 2.815 -6.652 3.463 424 HA CYS 52 HA CYS 52 3.235 -9.282 2.521 425 HB2 CYS 52 HB2 CYS 52 4.902 -7.575 2.125 426 HB3 CYS 52 HB3 CYS 52 5.155 -7.334 3.838 427 HG CYS 52 HG CYS 52 5.993 -10.201 3.960 428 H GLN 53 H GLN 53 3.152 -7.934 5.749 429 HA GLN 53 HA GLN 53 4.184 -10.240 7.075 430 HB2 GLN 53 HB2 GLN 53 2.618 -7.863 8.069 431 HB3 GLN 53 HB3 GLN 53 3.257 -9.116 9.125 432 HG2 GLN 53 HG2 GLN 53 5.006 -7.596 7.242 433 HG3 GLN 53 HG3 GLN 53 4.622 -6.965 8.843 434 HE21 GLN 53 HE21 GLN 53 5.395 -8.105 10.651 435 HE22 GLN 53 HE22 GLN 53 6.705 -9.226 10.524 436 H ARG 54 H ARG 54 0.965 -9.142 6.219 437 HA ARG 54 HA ARG 54 -0.306 -11.169 7.852 438 HB2 ARG 54 HB2 ARG 54 -1.163 -8.851 7.619 439 HB3 ARG 54 HB3 ARG 54 -1.541 -9.219 5.944 440 HG2 ARG 54 HG2 ARG 54 -3.263 -10.665 6.519 441 HG3 ARG 54 HG3 ARG 54 -2.667 -10.870 8.170 442 HD2 ARG 54 HD2 ARG 54 -3.226 -8.577 8.684 443 HD3 ARG 54 HD3 ARG 54 -3.752 -8.307 7.026 444 HE ARG 54 HE ARG 54 -5.490 -10.052 7.522 445 HH11 ARG 54 HH11 ARG 54 -4.098 -8.139 10.123 446 HH12 ARG 54 HH12 ARG 54 -5.544 -8.130 11.066 447 HH21 ARG 54 HH21 ARG 54 -7.404 -10.054 8.777 448 HH22 ARG 54 HH22 ARG 54 -7.434 -9.248 10.305 449 H GLN 55 H GLN 55 0.103 -10.477 4.392 450 HA GLN 55 HA GLN 55 -1.286 -12.964 3.757 451 HB2 GLN 55 HB2 GLN 55 -0.454 -10.591 2.128 452 HB3 GLN 55 HB3 GLN 55 -0.829 -12.114 1.336 453 HG2 GLN 55 HG2 GLN 55 -2.795 -10.787 1.274 454 HG3 GLN 55 HG3 GLN 55 -3.061 -12.059 2.462 455 HE21 GLN 55 HE21 GLN 55 -1.131 -9.184 3.023 456 HE22 GLN 55 HE22 GLN 55 -2.206 -8.479 4.178 457 H GLY 56 H GLY 56 1.859 -11.841 4.210 458 HA2 GLY 56 HA2 GLY 56 3.890 -12.898 4.041 459 HA3 GLY 56 HA3 GLY 56 3.004 -14.379 3.724 460 H VAL 57 H VAL 57 2.721 -11.556 1.666 461 HA VAL 57 HA VAL 57 4.165 -13.046 -0.421 462 HB VAL 57 HB VAL 57 2.750 -11.793 -2.086 463 HG11 VAL 57 HG11 VAL 57 1.278 -13.559 -0.133 464 HG12 VAL 57 HG12 VAL 57 2.259 -14.103 -1.495 465 HG13 VAL 57 HG13 VAL 57 0.770 -13.203 -1.784 466 HG21 VAL 57 HG21 VAL 57 1.153 -11.059 0.370 467 HG22 VAL 57 HG22 VAL 57 0.652 -10.791 -1.301 468 HG23 VAL 57 HG23 VAL 57 2.059 -9.946 -0.651 469 HA PRO 58 HA PRO 58 7.111 -9.811 -0.784 470 HB2 PRO 58 HB2 PRO 58 7.599 -9.843 -3.476 471 HB3 PRO 58 HB3 PRO 58 8.226 -11.054 -2.352 472 HG2 PRO 58 HG2 PRO 58 5.833 -11.189 -4.139 473 HG3 PRO 58 HG3 PRO 58 7.066 -12.426 -3.825 474 HD2 PRO 58 HD2 PRO 58 4.662 -12.504 -2.652 475 HD3 PRO 58 HD3 PRO 58 6.131 -13.022 -1.799 476 H MET 59 H MET 59 6.457 -7.792 -0.447 477 HA MET 59 HA MET 59 4.456 -6.529 -2.064 478 HB2 MET 59 HB2 MET 59 5.993 -5.732 0.365 479 HB3 MET 59 HB3 MET 59 5.089 -4.524 -0.542 480 HG2 MET 59 HG2 MET 59 3.961 -7.044 0.632 481 HG3 MET 59 HG3 MET 59 3.839 -5.439 1.355 482 HE1 MET 59 HE1 MET 59 3.039 -7.630 -1.777 483 HE2 MET 59 HE2 MET 59 1.342 -7.224 -2.006 484 HE3 MET 59 HE3 MET 59 1.866 -8.007 -0.518 485 H ASN 60 H ASN 60 7.724 -6.872 -2.484 486 HA ASN 60 HA ASN 60 8.080 -4.259 -3.687 487 HB2 ASN 60 HB2 ASN 60 9.967 -6.578 -3.364 488 HB3 ASN 60 HB3 ASN 60 10.375 -5.106 -4.234 489 HD21 ASN 60 HD21 ASN 60 9.461 -6.404 -1.116 490 HD22 ASN 60 HD22 ASN 60 10.093 -5.098 -0.186 491 H SER 61 H SER 61 7.873 -7.639 -4.711 492 HA SER 61 HA SER 61 8.370 -7.475 -7.396 493 HB2 SER 61 HB2 SER 61 6.135 -9.091 -6.159 494 HB3 SER 61 HB3 SER 61 6.979 -9.440 -7.665 495 HG SER 61 HG SER 61 7.997 -10.675 -6.230 496 H LEU 62 H LEU 62 5.461 -6.434 -5.742 497 HA LEU 62 HA LEU 62 4.463 -5.438 -8.299 498 HB2 LEU 62 HB2 LEU 62 2.175 -5.438 -7.078 499 HB3 LEU 62 HB3 LEU 62 2.792 -6.923 -7.749 500 HG LEU 62 HG LEU 62 1.642 -7.094 -5.517 501 HD11 LEU 62 HD11 LEU 62 3.202 -8.719 -4.610 502 HD12 LEU 62 HD12 LEU 62 4.456 -8.110 -5.688 503 HD13 LEU 62 HD13 LEU 62 3.016 -8.876 -6.356 504 HD21 LEU 62 HD21 LEU 62 2.608 -5.080 -4.493 505 HD22 LEU 62 HD22 LEU 62 4.189 -5.865 -4.464 506 HD23 LEU 62 HD23 LEU 62 2.859 -6.522 -3.513 507 H ARG 63 H ARG 63 3.009 -3.485 -8.038 508 HA ARG 63 HA ARG 63 4.064 -1.788 -5.890 509 HB2 ARG 63 HB2 ARG 63 4.129 0.142 -7.361 510 HB3 ARG 63 HB3 ARG 63 5.167 -1.133 -7.969 511 HG2 ARG 63 HG2 ARG 63 2.389 -0.859 -9.022 512 HG3 ARG 63 HG3 ARG 63 3.659 0.226 -9.594 513 HD2 ARG 63 HD2 ARG 63 4.981 -1.979 -9.969 514 HD3 ARG 63 HD3 ARG 63 3.382 -2.726 -9.896 515 HE ARG 63 HE ARG 63 2.762 -1.582 -11.853 516 HH11 ARG 63 HH11 ARG 63 6.107 -0.968 -10.955 517 HH12 ARG 63 HH12 ARG 63 6.550 -0.341 -12.503 518 HH21 ARG 63 HH21 ARG 63 3.348 -0.746 -13.914 519 HH22 ARG 63 HH22 ARG 63 4.967 -0.210 -14.192 520 H PHE 64 H PHE 64 2.680 0.292 -5.713 521 HA PHE 64 HA PHE 64 -0.097 -0.633 -5.677 522 HB2 PHE 64 HB2 PHE 64 1.474 0.988 -3.684 523 HB3 PHE 64 HB3 PHE 64 -0.283 1.006 -3.695 524 HD1 PHE 64 HD1 PHE 64 2.331 -1.663 -3.979 525 HD2 PHE 64 HD2 PHE 64 -1.174 -0.256 -2.017 526 HE1 PHE 64 HE1 PHE 64 2.314 -3.676 -2.570 527 HE2 PHE 64 HE2 PHE 64 -1.190 -2.269 -0.610 528 HZ PHE 64 HZ PHE 64 0.550 -3.981 -0.883 529 H LEU 65 H LEU 65 -1.282 0.393 -7.047 530 HA LEU 65 HA LEU 65 -0.739 3.245 -7.582 531 HB2 LEU 65 HB2 LEU 65 -2.054 1.309 -9.460 532 HB3 LEU 65 HB3 LEU 65 -1.599 2.959 -9.802 533 HG LEU 65 HG LEU 65 0.281 0.631 -9.391 534 HD11 LEU 65 HD11 LEU 65 0.914 1.067 -11.709 535 HD12 LEU 65 HD12 LEU 65 -0.319 2.323 -11.808 536 HD13 LEU 65 HD13 LEU 65 -0.791 0.641 -11.561 537 HD21 LEU 65 HD21 LEU 65 2.077 2.210 -9.910 538 HD22 LEU 65 HD22 LEU 65 1.242 2.636 -8.417 539 HD23 LEU 65 HD23 LEU 65 0.913 3.535 -9.900 540 H PHE 66 H PHE 66 -2.294 4.580 -7.246 541 HA PHE 66 HA PHE 66 -4.894 3.482 -6.450 542 HB2 PHE 66 HB2 PHE 66 -4.026 4.640 -4.597 543 HB3 PHE 66 HB3 PHE 66 -3.410 5.955 -5.580 544 HD1 PHE 66 HD1 PHE 66 -6.780 4.387 -5.470 545 HD2 PHE 66 HD2 PHE 66 -4.434 7.871 -4.824 546 HE1 PHE 66 HE1 PHE 66 -8.809 5.660 -5.045 547 HE2 PHE 66 HE2 PHE 66 -6.472 9.168 -4.383 548 HZ PHE 66 HZ PHE 66 -8.668 8.068 -4.486 549 H GLU 67 H GLU 67 -6.085 3.449 -8.229 550 HA GLU 67 HA GLU 67 -7.039 4.037 -10.199 551 HB2 GLU 67 HB2 GLU 67 -8.458 6.009 -10.060 552 HB3 GLU 67 HB3 GLU 67 -8.456 5.152 -8.536 553 HG2 GLU 67 HG2 GLU 67 -7.013 6.788 -7.552 554 HG3 GLU 67 HG3 GLU 67 -6.798 7.577 -9.113 555 H GLY 68 H GLY 68 -4.275 4.389 -10.332 556 HA2 GLY 68 HA2 GLY 68 -3.111 5.104 -12.322 557 HA3 GLY 68 HA3 GLY 68 -4.097 6.555 -12.322 558 H GLN 69 H GLN 69 -3.328 6.207 -9.186 559 HA GLN 69 HA GLN 69 -1.237 8.188 -9.321 560 HB2 GLN 69 HB2 GLN 69 -2.810 6.919 -7.102 561 HB3 GLN 69 HB3 GLN 69 -1.406 7.923 -6.751 562 HG2 GLN 69 HG2 GLN 69 -3.673 8.913 -8.439 563 HG3 GLN 69 HG3 GLN 69 -3.743 8.971 -6.679 564 HE21 GLN 69 HE21 GLN 69 -2.127 10.164 -9.518 565 HE22 GLN 69 HE22 GLN 69 -1.396 11.526 -8.743 566 H ARG 70 H ARG 70 0.845 7.920 -8.553 567 HA ARG 70 HA ARG 70 1.771 5.147 -8.602 568 HB2 ARG 70 HB2 ARG 70 2.749 6.604 -10.270 569 HB3 ARG 70 HB3 ARG 70 3.203 7.767 -9.039 570 HG2 ARG 70 HG2 ARG 70 5.133 6.499 -9.776 571 HG3 ARG 70 HG3 ARG 70 4.770 6.156 -8.085 572 HD2 ARG 70 HD2 ARG 70 5.347 4.117 -9.310 573 HD3 ARG 70 HD3 ARG 70 3.688 4.070 -8.718 574 HE ARG 70 HE ARG 70 3.063 4.755 -11.068 575 HH11 ARG 70 HH11 ARG 70 6.002 2.915 -10.401 576 HH12 ARG 70 HH12 ARG 70 6.027 2.184 -11.965 577 HH21 ARG 70 HH21 ARG 70 3.106 3.743 -13.121 578 HH22 ARG 70 HH22 ARG 70 4.385 2.651 -13.516 579 H ILE 71 H ILE 71 2.026 4.260 -6.626 580 HA ILE 71 HA ILE 71 3.045 6.008 -4.498 581 HB ILE 71 HB ILE 71 1.317 3.535 -4.216 582 HG12 ILE 71 HG12 ILE 71 -0.193 5.256 -3.007 583 HG13 ILE 71 HG13 ILE 71 0.780 6.477 -3.813 584 HG21 ILE 71 HG21 ILE 71 1.382 3.891 -1.824 585 HG22 ILE 71 HG22 ILE 71 2.423 5.298 -2.035 586 HG23 ILE 71 HG23 ILE 71 3.022 3.690 -2.445 587 HD11 ILE 71 HD11 ILE 71 -0.861 4.341 -5.163 588 HD12 ILE 71 HD12 ILE 71 0.110 5.568 -5.981 589 HD13 ILE 71 HD13 ILE 71 -1.284 6.048 -5.015 590 H ALA 72 H ALA 72 5.248 5.647 -4.813 591 HA ALA 72 HA ALA 72 6.124 2.868 -4.585 592 HB1 ALA 72 HB1 ALA 72 7.743 5.321 -5.267 593 HB2 ALA 72 HB2 ALA 72 7.096 4.165 -6.429 594 HB3 ALA 72 HB3 ALA 72 8.326 3.658 -5.270 595 H ASP 73 H ASP 73 5.378 2.911 -2.401 596 HA ASP 73 HA ASP 73 5.616 2.956 -0.150 597 HB2 ASP 73 HB2 ASP 73 8.476 2.610 -1.023 598 HB3 ASP 73 HB3 ASP 73 7.925 2.387 0.639 599 H ASN 74 H ASN 74 5.676 5.723 -1.298 600 HA ASN 74 HA ASN 74 6.747 6.935 1.101 601 HB2 ASN 74 HB2 ASN 74 8.202 8.503 0.108 602 HB3 ASN 74 HB3 ASN 74 8.603 6.959 -0.625 603 HD21 ASN 74 HD21 ASN 74 8.057 6.597 -2.783 604 HD22 ASN 74 HD22 ASN 74 7.702 7.910 -3.852 605 H HIS 75 H HIS 75 4.598 7.021 -1.586 606 HA HIS 75 HA HIS 75 3.613 9.621 -1.264 607 HB2 HIS 75 HB2 HIS 75 2.997 7.423 -2.901 608 HB3 HIS 75 HB3 HIS 75 1.524 7.769 -2.011 609 HD1 HIS 75 HD1 HIS 75 2.861 8.540 -5.124 610 HD2 HIS 75 HD2 HIS 75 1.230 10.875 -2.096 611 HE1 HIS 75 HE1 HIS 75 2.172 10.680 -6.221 612 HE2 HIS 75 HE2 HIS 75 1.490 12.172 -4.325 613 H THR 76 H THR 76 1.779 10.359 -0.198 614 HA THR 76 HA THR 76 1.040 8.778 2.165 615 HB THR 76 HB THR 76 0.526 11.010 3.206 616 HG1 THR 76 HG1 THR 76 2.156 12.414 1.556 617 HG21 THR 76 HG21 THR 76 2.855 11.597 3.636 618 HG22 THR 76 HG22 THR 76 3.361 10.619 2.256 619 HG23 THR 76 HG23 THR 76 2.632 9.847 3.665 620 HA PRO 77 HA PRO 77 -3.204 8.738 0.904 621 HB2 PRO 77 HB2 PRO 77 -4.467 9.225 3.312 622 HB3 PRO 77 HB3 PRO 77 -3.807 7.655 2.847 623 HG2 PRO 77 HG2 PRO 77 -2.601 9.782 4.573 624 HG3 PRO 77 HG3 PRO 77 -2.613 8.024 4.804 625 HD2 PRO 77 HD2 PRO 77 -0.451 9.295 3.881 626 HD3 PRO 77 HD3 PRO 77 -0.901 7.689 3.276 627 H LYS 78 H LYS 78 -2.035 11.419 2.778 628 HA LYS 78 HA LYS 78 -4.289 13.125 2.329 629 HB2 LYS 78 HB2 LYS 78 -2.871 14.847 3.386 630 HB3 LYS 78 HB3 LYS 78 -2.924 13.368 4.332 631 HG2 LYS 78 HG2 LYS 78 -0.675 13.701 4.434 632 HG3 LYS 78 HG3 LYS 78 -0.717 12.885 2.876 633 HD2 LYS 78 HD2 LYS 78 -0.804 15.056 1.748 634 HD3 LYS 78 HD3 LYS 78 -0.744 15.851 3.324 635 HE2 LYS 78 HE2 LYS 78 1.448 14.935 3.747 636 HE3 LYS 78 HE3 LYS 78 1.384 14.014 2.247 637 HZ1 LYS 78 HZ1 LYS 78 1.305 16.974 2.390 638 HZ2 LYS 78 HZ2 LYS 78 1.455 16.039 0.983 639 HZ3 LYS 78 HZ3 LYS 78 2.704 16.075 2.124 640 H GLU 79 H GLU 79 -1.280 12.452 0.768 641 HA GLU 79 HA GLU 79 -1.312 14.827 -0.861 642 HB2 GLU 79 HB2 GLU 79 0.742 13.721 0.034 643 HB3 GLU 79 HB3 GLU 79 0.431 12.388 -1.062 644 HG2 GLU 79 HG2 GLU 79 2.071 13.835 -2.020 645 HG3 GLU 79 HG3 GLU 79 0.571 13.970 -2.942 646 H LEU 80 H LEU 80 -2.285 11.513 -1.065 647 HA LEU 80 HA LEU 80 -2.545 11.455 -3.934 648 HB2 LEU 80 HB2 LEU 80 -3.582 9.637 -1.768 649 HB3 LEU 80 HB3 LEU 80 -3.714 9.315 -3.486 650 HG LEU 80 HG LEU 80 -1.044 9.737 -2.193 651 HD11 LEU 80 HD11 LEU 80 -2.546 7.140 -2.476 652 HD12 LEU 80 HD12 LEU 80 -2.184 7.970 -0.961 653 HD13 LEU 80 HD13 LEU 80 -0.871 7.326 -1.950 654 HD21 LEU 80 HD21 LEU 80 -1.188 9.830 -4.629 655 HD22 LEU 80 HD22 LEU 80 -1.945 8.235 -4.643 656 HD23 LEU 80 HD23 LEU 80 -0.282 8.419 -4.082 657 H GLY 81 H GLY 81 -4.357 12.744 -1.384 658 HA2 GLY 81 HA2 GLY 81 -6.366 13.882 -1.473 659 HA3 GLY 81 HA3 GLY 81 -6.483 13.451 -3.173 660 H MET 82 H MET 82 -5.968 10.898 -0.882 661 HA MET 82 HA MET 82 -8.635 9.944 -1.608 662 HB2 MET 82 HB2 MET 82 -7.880 7.710 -1.229 663 HB3 MET 82 HB3 MET 82 -6.691 8.507 -2.239 664 HG2 MET 82 HG2 MET 82 -5.286 8.845 -0.229 665 HG3 MET 82 HG3 MET 82 -6.463 7.913 0.699 666 HE1 MET 82 HE1 MET 82 -4.972 6.108 1.523 667 HE2 MET 82 HE2 MET 82 -3.509 6.815 0.830 668 HE3 MET 82 HE3 MET 82 -3.883 5.114 0.558 669 H GLU 83 H GLU 83 -9.636 8.501 0.136 670 HA GLU 83 HA GLU 83 -9.204 9.731 2.770 671 HB2 GLU 83 HB2 GLU 83 -11.792 9.618 1.239 672 HB3 GLU 83 HB3 GLU 83 -11.729 9.895 2.973 673 HG2 GLU 83 HG2 GLU 83 -10.584 11.907 2.718 674 HG3 GLU 83 HG3 GLU 83 -10.248 11.602 1.013 675 H GLU 84 H GLU 84 -11.286 8.601 4.102 676 HA GLU 84 HA GLU 84 -10.364 5.975 4.545 677 HB2 GLU 84 HB2 GLU 84 -12.319 5.791 6.068 678 HB3 GLU 84 HB3 GLU 84 -11.328 7.208 6.356 679 HG2 GLU 84 HG2 GLU 84 -12.915 8.639 5.339 680 HG3 GLU 84 HG3 GLU 84 -13.844 7.271 4.726 681 H GLU 85 H GLU 85 -11.522 3.999 4.324 682 HA GLU 85 HA GLU 85 -12.562 2.393 3.169 683 HB2 GLU 85 HB2 GLU 85 -14.546 3.927 3.887 684 HB3 GLU 85 HB3 GLU 85 -14.594 4.371 2.186 685 HG2 GLU 85 HG2 GLU 85 -16.189 2.635 2.572 686 HG3 GLU 85 HG3 GLU 85 -14.858 1.979 1.616 687 H ASP 86 H ASP 86 -10.574 4.252 1.840 688 HA ASP 86 HA ASP 86 -11.448 4.307 -0.902 689 HB2 ASP 86 HB2 ASP 86 -9.547 5.680 0.601 690 HB3 ASP 86 HB3 ASP 86 -8.619 4.722 -0.545 691 H VAL 87 H VAL 87 -10.050 3.368 -2.608 692 HA VAL 87 HA VAL 87 -9.057 0.752 -1.742 693 HB VAL 87 HB VAL 87 -11.195 0.417 -2.817 694 HG11 VAL 87 HG11 VAL 87 -11.336 2.448 -4.126 695 HG12 VAL 87 HG12 VAL 87 -11.589 1.039 -5.159 696 HG13 VAL 87 HG13 VAL 87 -10.040 1.882 -5.181 697 HG21 VAL 87 HG21 VAL 87 -8.890 -0.404 -4.582 698 HG22 VAL 87 HG22 VAL 87 -10.514 -1.078 -4.676 699 HG23 VAL 87 HG23 VAL 87 -9.552 -1.301 -3.216 700 H ILE 88 H ILE 88 -7.182 0.148 -2.421 701 HA ILE 88 HA ILE 88 -5.789 1.766 -4.474 702 HB ILE 88 HB ILE 88 -4.439 0.085 -2.353 703 HG12 ILE 88 HG12 ILE 88 -5.711 1.964 -1.318 704 HG13 ILE 88 HG13 ILE 88 -3.971 2.126 -1.119 705 HG21 ILE 88 HG21 ILE 88 -3.371 2.193 -4.217 706 HG22 ILE 88 HG22 ILE 88 -3.121 0.455 -4.351 707 HG23 ILE 88 HG23 ILE 88 -2.436 1.342 -2.985 708 HD11 ILE 88 HD11 ILE 88 -5.617 3.562 -3.186 709 HD12 ILE 88 HD12 ILE 88 -3.892 3.771 -2.871 710 HD13 ILE 88 HD13 ILE 88 -5.074 4.243 -1.652 711 H GLU 89 H GLU 89 -4.697 0.679 -6.123 712 HA GLU 89 HA GLU 89 -5.423 -2.154 -6.343 713 HB2 GLU 89 HB2 GLU 89 -4.784 -0.328 -8.645 714 HB3 GLU 89 HB3 GLU 89 -5.652 -1.860 -8.675 715 HG2 GLU 89 HG2 GLU 89 -7.384 -0.669 -7.203 716 HG3 GLU 89 HG3 GLU 89 -6.592 0.814 -7.714 717 H VAL 90 H VAL 90 -3.833 -3.584 -6.463 718 HA VAL 90 HA VAL 90 -1.094 -2.560 -6.672 719 HB VAL 90 HB VAL 90 -2.069 -5.197 -5.563 720 HG11 VAL 90 HG11 VAL 90 0.150 -5.404 -6.496 721 HG12 VAL 90 HG12 VAL 90 0.213 -5.456 -4.734 722 HG13 VAL 90 HG13 VAL 90 0.681 -3.987 -5.591 723 HG21 VAL 90 HG21 VAL 90 -1.031 -2.739 -4.186 724 HG22 VAL 90 HG22 VAL 90 -1.445 -4.263 -3.398 725 HG23 VAL 90 HG23 VAL 90 -2.704 -3.301 -4.178 726 H TYR 91 H TYR 91 0.087 -2.966 -8.396 727 HA TYR 91 HA TYR 91 -0.844 -5.033 -10.286 728 HB2 TYR 91 HB2 TYR 91 0.645 -2.466 -10.831 729 HB3 TYR 91 HB3 TYR 91 0.250 -3.674 -12.045 730 HD1 TYR 91 HD1 TYR 91 -1.181 -1.188 -9.719 731 HD2 TYR 91 HD2 TYR 91 -1.904 -3.736 -13.037 732 HE1 TYR 91 HE1 TYR 91 -3.317 -0.049 -10.117 733 HE2 TYR 91 HE2 TYR 91 -4.052 -2.603 -13.442 734 HH TYR 91 HH TYR 91 -5.680 -1.251 -12.245 735 H GLN 92 H GLN 92 0.559 -6.553 -10.922 736 HA GLN 92 HA GLN 92 3.102 -6.755 -9.578 737 HB2 GLN 92 HB2 GLN 92 1.838 -8.779 -9.783 738 HB3 GLN 92 HB3 GLN 92 1.662 -8.568 -11.517 739 HG2 GLN 92 HG2 GLN 92 3.270 -10.313 -11.015 740 HG3 GLN 92 HG3 GLN 92 4.057 -8.954 -11.812 741 HE21 GLN 92 HE21 GLN 92 6.070 -9.505 -11.034 742 HE22 GLN 92 HE22 GLN 92 6.520 -9.301 -9.383 743 H GLU 93 H GLU 93 4.925 -5.971 -10.293 744 HA GLU 93 HA GLU 93 5.821 -6.270 -12.938 745 HB2 GLU 93 HB2 GLU 93 4.273 -4.501 -13.443 746 HB3 GLU 93 HB3 GLU 93 4.937 -3.480 -12.176 747 HG2 GLU 93 HG2 GLU 93 5.824 -2.670 -14.196 748 HG3 GLU 93 HG3 GLU 93 7.126 -3.593 -13.451 749 H GLN 94 H GLN 94 7.762 -6.739 -12.462 750 HA GLN 94 HA GLN 94 9.117 -5.805 -10.155 751 HB2 GLN 94 HB2 GLN 94 11.086 -7.004 -11.035 752 HB3 GLN 94 HB3 GLN 94 9.647 -8.004 -11.021 753 HG2 GLN 94 HG2 GLN 94 10.687 -6.599 -13.474 754 HG3 GLN 94 HG3 GLN 94 11.110 -8.252 -13.036 755 HE21 GLN 94 HE21 GLN 94 9.749 -7.278 -15.392 756 HE22 GLN 94 HE22 GLN 94 8.210 -8.059 -15.434 757 H THR 95 H THR 95 10.812 -4.372 -9.953 758 HA THR 95 HA THR 95 11.486 -2.744 -12.262 759 HB THR 95 HB THR 95 9.577 -1.578 -11.266 760 HG1 THR 95 HG1 THR 95 11.480 -0.354 -12.003 761 HG21 THR 95 HG21 THR 95 9.639 -0.739 -8.964 762 HG22 THR 95 HG22 THR 95 11.186 -1.545 -8.706 763 HG23 THR 95 HG23 THR 95 9.732 -2.501 -8.993 764 H GLY 96 H GLY 96 13.479 -1.495 -11.909 765 HA2 GLY 96 HA2 GLY 96 14.893 -1.609 -9.494 766 HA3 GLY 96 HA3 GLY 96 15.439 -2.891 -10.567 767 H GLY 97 H GLY 97 17.490 -1.875 -10.736 768 HA2 GLY 97 HA2 GLY 97 17.546 0.752 -12.001 769 HA3 GLY 97 HA3 GLY 97 18.939 -0.155 -11.421 Start of MODEL 14 1 H MET 1 H MET 1 -18.499 30.808 40.198 2 HA MET 1 HA MET 1 -18.670 32.905 41.375 3 HB2 MET 1 HB2 MET 1 -17.959 30.435 42.949 4 HB3 MET 1 HB3 MET 1 -18.540 31.898 43.727 5 HG2 MET 1 HG2 MET 1 -20.355 30.356 43.436 6 HG3 MET 1 HG3 MET 1 -20.602 31.754 42.392 7 HE1 MET 1 HE1 MET 1 -22.192 28.932 40.255 8 HE2 MET 1 HE2 MET 1 -22.400 30.538 40.948 9 HE3 MET 1 HE3 MET 1 -22.272 29.132 42.004 10 H SER 2 H SER 2 -17.812 34.288 43.034 11 HA SER 2 HA SER 2 -15.116 34.964 42.476 12 HB2 SER 2 HB2 SER 2 -16.983 36.572 43.041 13 HB3 SER 2 HB3 SER 2 -16.810 36.070 44.721 14 HG SER 2 HG SER 2 -15.196 37.677 43.156 15 H ASP 3 H ASP 3 -16.628 33.147 45.047 16 HA ASP 3 HA ASP 3 -14.268 33.252 46.732 17 HB2 ASP 3 HB2 ASP 3 -16.563 33.199 47.702 18 HB3 ASP 3 HB3 ASP 3 -16.764 31.571 47.068 19 H GLN 4 H GLN 4 -14.274 31.992 43.996 20 HA GLN 4 HA GLN 4 -12.623 29.752 44.701 21 HB2 GLN 4 HB2 GLN 4 -13.835 28.188 43.130 22 HB3 GLN 4 HB3 GLN 4 -14.662 28.520 44.645 23 HG2 GLN 4 HG2 GLN 4 -16.177 29.999 43.583 24 HG3 GLN 4 HG3 GLN 4 -15.262 29.957 42.079 25 HE21 GLN 4 HE21 GLN 4 -15.812 27.089 43.969 26 HE22 GLN 4 HE22 GLN 4 -16.924 26.346 42.876 27 H GLU 5 H GLU 5 -11.633 28.810 42.679 28 HA GLU 5 HA GLU 5 -11.420 30.895 40.626 29 HB2 GLU 5 HB2 GLU 5 -9.454 30.699 42.231 30 HB3 GLU 5 HB3 GLU 5 -9.169 29.103 41.563 31 HG2 GLU 5 HG2 GLU 5 -8.659 30.009 39.420 32 HG3 GLU 5 HG3 GLU 5 -9.183 31.620 39.917 33 H ALA 6 H ALA 6 -10.078 29.707 38.696 34 HA ALA 6 HA ALA 6 -11.092 27.038 38.211 35 HB1 ALA 6 HB1 ALA 6 -12.171 27.649 36.097 36 HB2 ALA 6 HB2 ALA 6 -11.836 29.351 36.412 37 HB3 ALA 6 HB3 ALA 6 -12.943 28.462 37.459 38 H LYS 7 H LYS 7 -9.900 25.951 36.628 39 HA LYS 7 HA LYS 7 -7.274 26.905 36.223 40 HB2 LYS 7 HB2 LYS 7 -7.125 24.888 34.609 41 HB3 LYS 7 HB3 LYS 7 -7.399 24.573 36.310 42 HG2 LYS 7 HG2 LYS 7 -8.816 23.101 35.151 43 HG3 LYS 7 HG3 LYS 7 -9.864 24.380 35.744 44 HD2 LYS 7 HD2 LYS 7 -10.489 23.842 33.480 45 HD3 LYS 7 HD3 LYS 7 -9.752 25.444 33.500 46 HE2 LYS 7 HE2 LYS 7 -8.976 24.111 31.596 47 HE3 LYS 7 HE3 LYS 7 -7.654 24.510 32.686 48 HZ1 LYS 7 HZ1 LYS 7 -7.742 22.300 33.586 49 HZ2 LYS 7 HZ2 LYS 7 -7.599 22.209 31.907 50 HZ3 LYS 7 HZ3 LYS 7 -9.090 21.910 32.639 51 HA PRO 8 HA PRO 8 -7.530 29.332 32.565 52 HB2 PRO 8 HB2 PRO 8 -5.192 28.702 31.298 53 HB3 PRO 8 HB3 PRO 8 -5.271 29.726 32.736 54 HG2 PRO 8 HG2 PRO 8 -4.633 26.810 32.519 55 HG3 PRO 8 HG3 PRO 8 -3.822 28.063 33.480 56 HD2 PRO 8 HD2 PRO 8 -5.572 26.346 34.579 57 HD3 PRO 8 HD3 PRO 8 -5.450 28.033 35.120 58 H SER 9 H SER 9 -6.456 28.762 30.040 59 HA SER 9 HA SER 9 -8.093 26.474 29.179 60 HB2 SER 9 HB2 SER 9 -7.820 29.077 27.665 61 HB3 SER 9 HB3 SER 9 -8.897 27.730 27.291 62 HG SER 9 HG SER 9 -8.977 29.310 29.648 63 H THR 10 H THR 10 -7.065 25.055 27.901 64 HA THR 10 HA THR 10 -4.384 25.770 26.975 65 HB THR 10 HB THR 10 -5.587 23.005 27.201 66 HG1 THR 10 HG1 THR 10 -4.262 24.665 29.066 67 HG21 THR 10 HG21 THR 10 -3.658 23.179 25.688 68 HG22 THR 10 HG22 THR 10 -3.236 22.281 27.148 69 HG23 THR 10 HG23 THR 10 -2.724 23.958 26.965 70 H GLU 11 H GLU 11 -4.040 26.077 24.890 71 HA GLU 11 HA GLU 11 -6.090 25.931 22.950 72 HB2 GLU 11 HB2 GLU 11 -3.107 26.185 22.554 73 HB3 GLU 11 HB3 GLU 11 -4.342 26.555 21.358 74 HG2 GLU 11 HG2 GLU 11 -5.155 28.383 22.673 75 HG3 GLU 11 HG3 GLU 11 -4.083 27.955 24.006 76 H ASP 12 H ASP 12 -6.343 24.544 21.179 77 HA ASP 12 HA ASP 12 -4.635 22.262 20.815 78 HB2 ASP 12 HB2 ASP 12 -6.009 21.503 22.718 79 HB3 ASP 12 HB3 ASP 12 -7.472 21.855 21.807 80 H LEU 13 H LEU 13 -5.538 20.834 18.990 81 HA LEU 13 HA LEU 13 -7.483 21.990 17.272 82 HB2 LEU 13 HB2 LEU 13 -5.753 22.130 15.346 83 HB3 LEU 13 HB3 LEU 13 -5.888 23.470 16.462 84 HG LEU 13 HG LEU 13 -3.887 22.491 17.687 85 HD11 LEU 13 HD11 LEU 13 -2.424 21.017 16.412 86 HD12 LEU 13 HD12 LEU 13 -3.660 20.869 15.161 87 HD13 LEU 13 HD13 LEU 13 -3.966 20.244 16.782 88 HD21 LEU 13 HD21 LEU 13 -2.288 23.438 16.096 89 HD22 LEU 13 HD22 LEU 13 -3.726 24.447 16.255 90 HD23 LEU 13 HD23 LEU 13 -3.525 23.415 14.840 91 H GLY 14 H GLY 14 -7.103 20.651 14.954 92 HA2 GLY 14 HA2 GLY 14 -7.259 17.887 15.874 93 HA3 GLY 14 HA3 GLY 14 -7.793 18.498 14.320 94 H ASP 15 H ASP 15 -5.628 19.598 13.223 95 HA ASP 15 HA ASP 15 -4.028 17.482 12.410 96 HB2 ASP 15 HB2 ASP 15 -3.705 20.418 12.070 97 HB3 ASP 15 HB3 ASP 15 -2.567 19.247 11.413 98 H LYS 16 H LYS 16 -3.505 16.879 14.552 99 HA LYS 16 HA LYS 16 -0.660 17.380 14.924 100 HB2 LYS 16 HB2 LYS 16 -0.662 18.006 17.181 101 HB3 LYS 16 HB3 LYS 16 -2.027 18.906 16.549 102 HG2 LYS 16 HG2 LYS 16 -2.220 16.292 18.047 103 HG3 LYS 16 HG3 LYS 16 -2.465 17.886 18.753 104 HD2 LYS 16 HD2 LYS 16 -4.379 18.262 17.347 105 HD3 LYS 16 HD3 LYS 16 -4.076 16.766 16.468 106 HE2 LYS 16 HE2 LYS 16 -5.869 16.441 18.070 107 HE3 LYS 16 HE3 LYS 16 -4.462 15.490 18.535 108 HZ1 LYS 16 HZ1 LYS 16 -3.888 17.227 20.141 109 HZ2 LYS 16 HZ2 LYS 16 -5.412 16.568 20.446 110 HZ3 LYS 16 HZ3 LYS 16 -5.285 18.092 19.726 111 H LYS 17 H LYS 17 -0.008 15.809 16.983 112 HA LYS 17 HA LYS 17 -0.474 13.197 16.056 113 HB2 LYS 17 HB2 LYS 17 0.596 12.491 18.220 114 HB3 LYS 17 HB3 LYS 17 1.538 13.623 17.268 115 HG2 LYS 17 HG2 LYS 17 1.797 14.650 19.253 116 HG3 LYS 17 HG3 LYS 17 0.232 15.352 18.853 117 HD2 LYS 17 HD2 LYS 17 0.189 14.553 21.127 118 HD3 LYS 17 HD3 LYS 17 -0.862 13.537 20.140 119 HE2 LYS 17 HE2 LYS 17 0.775 11.794 20.065 120 HE3 LYS 17 HE3 LYS 17 1.994 12.834 20.800 121 HZ1 LYS 17 HZ1 LYS 17 0.986 11.217 22.345 122 HZ2 LYS 17 HZ2 LYS 17 -0.513 11.990 22.153 123 HZ3 LYS 17 HZ3 LYS 17 0.791 12.820 22.839 124 H GLU 18 H GLU 18 -1.728 11.496 16.885 125 HA GLU 18 HA GLU 18 -3.577 10.485 17.694 126 HB2 GLU 18 HB2 GLU 18 -3.426 12.726 19.670 127 HB3 GLU 18 HB3 GLU 18 -4.611 11.429 19.784 128 HG2 GLU 18 HG2 GLU 18 -2.778 9.818 19.997 129 HG3 GLU 18 HG3 GLU 18 -1.618 11.145 19.905 130 H GLY 19 H GLY 19 -3.600 12.999 15.888 131 HA2 GLY 19 HA2 GLY 19 -6.148 14.194 16.239 132 HA3 GLY 19 HA3 GLY 19 -5.140 14.318 14.811 133 H GLU 20 H GLU 20 -5.596 13.047 13.043 134 HA GLU 20 HA GLU 20 -8.091 11.519 13.274 135 HB2 GLU 20 HB2 GLU 20 -7.021 13.083 10.934 136 HB3 GLU 20 HB3 GLU 20 -8.437 12.044 10.861 137 HG2 GLU 20 HG2 GLU 20 -8.103 14.515 12.548 138 HG3 GLU 20 HG3 GLU 20 -9.112 14.339 11.113 139 H TYR 21 H TYR 21 -8.306 9.557 12.403 140 HA TYR 21 HA TYR 21 -6.085 8.381 10.878 141 HB2 TYR 21 HB2 TYR 21 -7.596 6.975 13.094 142 HB3 TYR 21 HB3 TYR 21 -6.335 6.296 12.072 143 HD1 TYR 21 HD1 TYR 21 -6.983 8.803 14.736 144 HD2 TYR 21 HD2 TYR 21 -4.073 6.457 12.715 145 HE1 TYR 21 HE1 TYR 21 -5.322 9.398 16.449 146 HE2 TYR 21 HE2 TYR 21 -2.405 7.054 14.419 147 HH TYR 21 HH TYR 21 -3.198 8.388 17.362 148 H ILE 22 H ILE 22 -6.851 7.069 9.130 149 HA ILE 22 HA ILE 22 -9.727 6.594 9.156 150 HB ILE 22 HB ILE 22 -9.531 6.720 6.644 151 HG12 ILE 22 HG12 ILE 22 -7.080 8.368 7.115 152 HG13 ILE 22 HG13 ILE 22 -6.927 6.632 6.893 153 HG21 ILE 22 HG21 ILE 22 -9.033 9.231 8.239 154 HG22 ILE 22 HG22 ILE 22 -10.599 8.476 7.932 155 HG23 ILE 22 HG23 ILE 22 -9.678 9.171 6.598 156 HD11 ILE 22 HD11 ILE 22 -8.165 8.572 4.977 157 HD12 ILE 22 HD12 ILE 22 -8.062 6.819 4.757 158 HD13 ILE 22 HD13 ILE 22 -6.586 7.790 4.826 159 H LYS 23 H LYS 23 -10.320 4.855 7.646 160 HA LYS 23 HA LYS 23 -8.423 2.597 7.768 161 HB2 LYS 23 HB2 LYS 23 -10.678 1.309 7.436 162 HB3 LYS 23 HB3 LYS 23 -10.279 1.934 9.030 163 HG2 LYS 23 HG2 LYS 23 -11.764 3.762 8.795 164 HG3 LYS 23 HG3 LYS 23 -11.967 3.463 7.072 165 HD2 LYS 23 HD2 LYS 23 -12.820 1.503 9.191 166 HD3 LYS 23 HD3 LYS 23 -13.884 2.761 8.562 167 HE2 LYS 23 HE2 LYS 23 -13.325 1.819 6.249 168 HE3 LYS 23 HE3 LYS 23 -12.683 0.421 7.111 169 HZ1 LYS 23 HZ1 LYS 23 -14.945 0.019 6.499 170 HZ2 LYS 23 HZ2 LYS 23 -15.460 1.448 7.229 171 HZ3 LYS 23 HZ3 LYS 23 -14.870 0.178 8.176 172 H LEU 24 H LEU 24 -7.857 1.675 5.821 173 HA LEU 24 HA LEU 24 -9.557 2.246 3.522 174 HB2 LEU 24 HB2 LEU 24 -6.559 2.354 3.277 175 HB3 LEU 24 HB3 LEU 24 -7.766 2.811 2.109 176 HG LEU 24 HG LEU 24 -8.411 4.611 3.883 177 HD11 LEU 24 HD11 LEU 24 -5.536 4.062 4.591 178 HD12 LEU 24 HD12 LEU 24 -6.927 3.751 5.628 179 HD13 LEU 24 HD13 LEU 24 -6.517 5.406 5.174 180 HD21 LEU 24 HD21 LEU 24 -5.941 4.759 2.182 181 HD22 LEU 24 HD22 LEU 24 -6.813 6.145 2.839 182 HD23 LEU 24 HD23 LEU 24 -7.591 5.089 1.660 183 H LYS 25 H LYS 25 -8.395 0.884 1.549 184 HA LYS 25 HA LYS 25 -7.657 -1.747 2.486 185 HB2 LYS 25 HB2 LYS 25 -10.050 -1.896 2.728 186 HB3 LYS 25 HB3 LYS 25 -10.305 -1.171 1.158 187 HG2 LYS 25 HG2 LYS 25 -8.802 -3.727 1.249 188 HG3 LYS 25 HG3 LYS 25 -10.530 -3.784 1.594 189 HD2 LYS 25 HD2 LYS 25 -9.290 -2.559 -0.871 190 HD3 LYS 25 HD3 LYS 25 -10.004 -4.171 -0.792 191 HE2 LYS 25 HE2 LYS 25 -11.478 -1.602 -0.203 192 HE3 LYS 25 HE3 LYS 25 -11.530 -2.457 -1.740 193 HZ1 LYS 25 HZ1 LYS 25 -12.485 -3.473 0.884 194 HZ2 LYS 25 HZ2 LYS 25 -12.432 -4.386 -0.535 195 HZ3 LYS 25 HZ3 LYS 25 -13.436 -3.039 -0.444 196 H VAL 26 H VAL 26 -6.726 -3.003 0.846 197 HA VAL 26 HA VAL 26 -6.587 -1.791 -1.815 198 HB VAL 26 HB VAL 26 -4.234 -1.798 -2.005 199 HG11 VAL 26 HG11 VAL 26 -5.052 0.072 -0.660 200 HG12 VAL 26 HG12 VAL 26 -3.413 -0.392 -0.198 201 HG13 VAL 26 HG13 VAL 26 -4.787 -0.872 0.800 202 HG21 VAL 26 HG21 VAL 26 -2.696 -2.753 -0.405 203 HG22 VAL 26 HG22 VAL 26 -3.849 -3.975 -0.952 204 HG23 VAL 26 HG23 VAL 26 -4.045 -3.215 0.628 205 H ILE 27 H ILE 27 -6.412 -3.232 -3.473 206 HA ILE 27 HA ILE 27 -6.362 -6.085 -2.713 207 HB ILE 27 HB ILE 27 -7.945 -4.816 -4.963 208 HG12 ILE 27 HG12 ILE 27 -9.044 -5.958 -2.409 209 HG13 ILE 27 HG13 ILE 27 -8.651 -4.251 -2.579 210 HG21 ILE 27 HG21 ILE 27 -7.325 -7.139 -5.386 211 HG22 ILE 27 HG22 ILE 27 -9.056 -7.006 -5.077 212 HG23 ILE 27 HG23 ILE 27 -7.980 -7.611 -3.819 213 HD11 ILE 27 HD11 ILE 27 -10.239 -4.074 -4.413 214 HD12 ILE 27 HD12 ILE 27 -11.010 -4.653 -2.937 215 HD13 ILE 27 HD13 ILE 27 -10.637 -5.784 -4.239 216 H GLY 28 H GLY 28 -5.219 -7.454 -4.049 217 HA2 GLY 28 HA2 GLY 28 -3.688 -6.102 -6.172 218 HA3 GLY 28 HA3 GLY 28 -2.973 -7.324 -5.124 219 H GLN 29 H GLN 29 -2.646 -7.744 -7.680 220 HA GLN 29 HA GLN 29 -4.727 -9.043 -9.061 221 HB2 GLN 29 HB2 GLN 29 -3.107 -9.666 -10.675 222 HB3 GLN 29 HB3 GLN 29 -2.628 -8.096 -10.059 223 HG2 GLN 29 HG2 GLN 29 -1.417 -10.730 -9.261 224 HG3 GLN 29 HG3 GLN 29 -0.718 -9.584 -10.399 225 HE21 GLN 29 HE21 GLN 29 -1.116 -10.457 -7.137 226 HE22 GLN 29 HE22 GLN 29 -0.185 -9.171 -6.437 227 H ASP 30 H ASP 30 -3.109 -10.048 -6.353 228 HA ASP 30 HA ASP 30 -3.064 -12.881 -6.928 229 HB2 ASP 30 HB2 ASP 30 -1.409 -11.820 -5.376 230 HB3 ASP 30 HB3 ASP 30 -2.730 -11.430 -4.284 231 H SER 31 H SER 31 -5.393 -10.656 -6.270 232 HA SER 31 HA SER 31 -7.627 -10.795 -5.874 233 HB2 SER 31 HB2 SER 31 -7.238 -13.766 -5.396 234 HB3 SER 31 HB3 SER 31 -8.771 -12.942 -5.682 235 HG SER 31 HG SER 31 -7.442 -12.246 -7.719 236 H SER 32 H SER 32 -5.299 -10.842 -3.848 237 HA SER 32 HA SER 32 -6.843 -11.407 -1.434 238 HB2 SER 32 HB2 SER 32 -4.507 -12.388 -1.832 239 HB3 SER 32 HB3 SER 32 -3.900 -10.748 -1.623 240 HG SER 32 HG SER 32 -3.984 -12.192 0.275 241 H GLU 33 H GLU 33 -6.483 -9.751 0.357 242 HA GLU 33 HA GLU 33 -5.894 -7.085 -0.539 243 HB2 GLU 33 HB2 GLU 33 -8.063 -6.140 0.019 244 HB3 GLU 33 HB3 GLU 33 -8.212 -7.352 -1.243 245 HG2 GLU 33 HG2 GLU 33 -9.082 -8.952 0.321 246 HG3 GLU 33 HG3 GLU 33 -8.823 -7.832 1.659 247 H ILE 34 H ILE 34 -5.956 -5.536 1.210 248 HA ILE 34 HA ILE 34 -5.868 -6.739 3.882 249 HB ILE 34 HB ILE 34 -3.518 -6.571 3.017 250 HG12 ILE 34 HG12 ILE 34 -2.681 -5.077 4.985 251 HG13 ILE 34 HG13 ILE 34 -4.384 -5.000 5.419 252 HG21 ILE 34 HG21 ILE 34 -2.507 -4.296 2.914 253 HG22 ILE 34 HG22 ILE 34 -4.149 -3.642 2.915 254 HG23 ILE 34 HG23 ILE 34 -3.615 -4.705 1.611 255 HD11 ILE 34 HD11 ILE 34 -4.419 -7.475 5.487 256 HD12 ILE 34 HD12 ILE 34 -3.329 -6.740 6.664 257 HD13 ILE 34 HD13 ILE 34 -2.678 -7.457 5.191 258 H HIS 35 H HIS 35 -6.521 -5.383 5.531 259 HA HIS 35 HA HIS 35 -7.561 -2.742 4.708 260 HB2 HIS 35 HB2 HIS 35 -8.508 -4.527 6.978 261 HB3 HIS 35 HB3 HIS 35 -9.185 -2.964 6.555 262 HD1 HIS 35 HD1 HIS 35 -11.365 -4.695 6.529 263 HD2 HIS 35 HD2 HIS 35 -8.710 -4.869 3.345 264 HE1 HIS 35 HE1 HIS 35 -12.608 -5.839 4.672 265 HE2 HIS 35 HE2 HIS 35 -10.964 -5.978 2.763 266 H PHE 36 H PHE 36 -6.937 -0.984 5.999 267 HA PHE 36 HA PHE 36 -5.415 -1.568 8.405 268 HB2 PHE 36 HB2 PHE 36 -3.561 0.006 7.554 269 HB3 PHE 36 HB3 PHE 36 -3.580 -1.653 6.974 270 HD1 PHE 36 HD1 PHE 36 -4.413 1.841 6.063 271 HD2 PHE 36 HD2 PHE 36 -3.827 -2.148 4.705 272 HE1 PHE 36 HE1 PHE 36 -4.427 2.630 3.737 273 HE2 PHE 36 HE2 PHE 36 -3.842 -1.369 2.390 274 HZ PHE 36 HZ PHE 36 -4.145 1.028 1.897 275 HH31 ALY 37 HH31 ALY 37 -6.259 2.840 14.112 276 HH32 ALY 37 HH32 ALY 37 -6.221 4.247 15.195 277 HH33 ALY 37 HH33 ALY 37 -5.797 4.414 13.478 278 HZ ALY 37 HZ ALY 37 -7.927 4.328 11.884 279 HE3 ALY 37 HE3 ALY 37 -9.387 2.185 13.256 280 HE2 ALY 37 HE2 ALY 37 -10.278 3.381 12.320 281 HD3 ALY 37 HD3 ALY 37 -9.992 1.464 10.926 282 HD2 ALY 37 HD2 ALY 37 -8.903 2.714 10.325 283 HG3 ALY 37 HG3 ALY 37 -8.017 0.534 12.210 284 HG2 ALY 37 HG2 ALY 37 -7.951 0.369 10.457 285 HB3 ALY 37 HB3 ALY 37 -6.723 2.758 11.726 286 HB2 ALY 37 HB2 ALY 37 -5.882 1.221 11.842 287 HCA ALY 37 HCA ALY 37 -6.733 2.514 9.248 288 H ALY 37 H ALY 37 -5.046 0.165 9.761 289 H VAL 38 H VAL 38 -5.289 3.922 8.368 290 HA VAL 38 HA VAL 38 -2.749 4.335 9.772 291 HB VAL 38 HB VAL 38 -1.976 5.529 7.767 292 HG11 VAL 38 HG11 VAL 38 -1.795 3.596 6.282 293 HG12 VAL 38 HG12 VAL 38 -3.077 2.790 7.188 294 HG13 VAL 38 HG13 VAL 38 -1.544 3.160 7.973 295 HG21 VAL 38 HG21 VAL 38 -3.293 5.460 5.694 296 HG22 VAL 38 HG22 VAL 38 -4.106 6.382 6.959 297 HG23 VAL 38 HG23 VAL 38 -4.638 4.742 6.583 298 H LYS 39 H LYS 39 -2.091 6.818 9.096 299 HA LYS 39 HA LYS 39 -4.036 8.411 10.598 300 HB2 LYS 39 HB2 LYS 39 -1.150 9.015 9.923 301 HB3 LYS 39 HB3 LYS 39 -2.186 9.950 10.993 302 HG2 LYS 39 HG2 LYS 39 -2.285 8.131 12.563 303 HG3 LYS 39 HG3 LYS 39 -1.375 7.093 11.465 304 HD2 LYS 39 HD2 LYS 39 0.076 7.950 13.208 305 HD3 LYS 39 HD3 LYS 39 0.542 8.613 11.644 306 HE2 LYS 39 HE2 LYS 39 -0.543 10.699 12.152 307 HE3 LYS 39 HE3 LYS 39 -1.189 10.041 13.654 308 HZ1 LYS 39 HZ1 LYS 39 0.781 11.432 13.999 309 HZ2 LYS 39 HZ2 LYS 39 1.702 10.373 13.057 310 HZ3 LYS 39 HZ3 LYS 39 1.034 9.844 14.513 311 H MET 40 H MET 40 -4.140 10.767 9.904 312 HA MET 40 HA MET 40 -5.022 11.041 7.269 313 HB2 MET 40 HB2 MET 40 -5.623 12.593 9.085 314 HB3 MET 40 HB3 MET 40 -3.968 13.168 9.145 315 HG2 MET 40 HG2 MET 40 -5.173 14.816 7.991 316 HG3 MET 40 HG3 MET 40 -4.279 13.938 6.757 317 HE1 MET 40 HE1 MET 40 -6.917 12.333 4.558 318 HE2 MET 40 HE2 MET 40 -5.622 11.668 5.550 319 HE3 MET 40 HE3 MET 40 -5.350 13.137 4.614 320 H THR 41 H THR 41 -1.888 11.605 8.721 321 HA THR 41 HA THR 41 -0.731 11.692 6.026 322 HB THR 41 HB THR 41 0.907 13.386 6.796 323 HG1 THR 41 HG1 THR 41 0.585 12.827 9.097 324 HG21 THR 41 HG21 THR 41 -1.962 14.242 7.211 325 HG22 THR 41 HG22 THR 41 -1.172 14.082 5.648 326 HG23 THR 41 HG23 THR 41 -0.609 15.300 6.798 327 H THR 42 H THR 42 0.615 10.004 5.814 328 HA THR 42 HA THR 42 2.776 9.545 7.551 329 HB THR 42 HB THR 42 0.896 8.498 8.916 330 HG1 THR 42 HG1 THR 42 2.210 6.865 9.552 331 HG21 THR 42 HG21 THR 42 -0.424 7.573 7.073 332 HG22 THR 42 HG22 THR 42 0.064 6.296 8.188 333 HG23 THR 42 HG23 THR 42 0.908 6.494 6.652 334 H HIS 43 H HIS 43 3.994 7.516 6.818 335 HA HIS 43 HA HIS 43 3.956 7.451 3.930 336 HB2 HIS 43 HB2 HIS 43 5.744 6.145 5.979 337 HB3 HIS 43 HB3 HIS 43 5.893 5.819 4.258 338 HD1 HIS 43 HD1 HIS 43 7.841 7.425 6.410 339 HD2 HIS 43 HD2 HIS 43 5.732 8.914 3.158 340 HE1 HIS 43 HE1 HIS 43 9.049 9.519 5.727 341 HE2 HIS 43 HE2 HIS 43 7.876 10.276 3.632 342 H LEU 44 H LEU 44 2.838 6.074 2.740 343 HA LEU 44 HA LEU 44 1.242 4.023 3.795 344 HB2 LEU 44 HB2 LEU 44 2.118 4.474 0.948 345 HB3 LEU 44 HB3 LEU 44 0.826 3.400 1.444 346 HG LEU 44 HG LEU 44 0.884 6.403 1.652 347 HD11 LEU 44 HD11 LEU 44 0.364 5.608 -0.550 348 HD12 LEU 44 HD12 LEU 44 -1.102 6.235 0.204 349 HD13 LEU 44 HD13 LEU 44 -0.842 4.494 0.095 350 HD21 LEU 44 HD21 LEU 44 -0.175 5.567 3.657 351 HD22 LEU 44 HD22 LEU 44 -1.165 4.456 2.712 352 HD23 LEU 44 HD23 LEU 44 -1.415 6.195 2.570 353 H LYS 45 H LYS 45 4.538 3.968 3.258 354 HA LYS 45 HA LYS 45 5.076 1.431 2.292 355 HB2 LYS 45 HB2 LYS 45 6.723 3.276 2.764 356 HB3 LYS 45 HB3 LYS 45 6.606 2.869 4.465 357 HG2 LYS 45 HG2 LYS 45 7.329 0.745 2.516 358 HG3 LYS 45 HG3 LYS 45 8.548 1.927 2.967 359 HD2 LYS 45 HD2 LYS 45 6.999 0.182 4.883 360 HD3 LYS 45 HD3 LYS 45 8.649 -0.120 4.339 361 HE2 LYS 45 HE2 LYS 45 9.340 2.030 5.328 362 HE3 LYS 45 HE3 LYS 45 7.698 2.277 5.910 363 HZ1 LYS 45 HZ1 LYS 45 9.507 0.060 6.700 364 HZ2 LYS 45 HZ2 LYS 45 7.913 0.242 7.232 365 HZ3 LYS 45 HZ3 LYS 45 9.085 1.391 7.652 366 H LYS 46 H LYS 46 3.966 2.446 5.464 367 HA LYS 46 HA LYS 46 4.557 0.061 6.825 368 HB2 LYS 46 HB2 LYS 46 3.115 0.845 8.586 369 HB3 LYS 46 HB3 LYS 46 3.991 2.215 7.951 370 HG2 LYS 46 HG2 LYS 46 1.845 3.045 8.266 371 HG3 LYS 46 HG3 LYS 46 1.885 2.661 6.548 372 HD2 LYS 46 HD2 LYS 46 -0.224 1.917 7.427 373 HD3 LYS 46 HD3 LYS 46 0.747 0.502 7.057 374 HE2 LYS 46 HE2 LYS 46 0.667 1.654 9.833 375 HE3 LYS 46 HE3 LYS 46 -0.593 0.567 9.266 376 HZ1 LYS 46 HZ1 LYS 46 2.311 -0.048 9.589 377 HZ2 LYS 46 HZ2 LYS 46 1.262 -1.054 8.734 378 HZ3 LYS 46 HZ3 LYS 46 1.005 -0.769 10.375 379 H LEU 47 H LEU 47 1.872 0.964 4.750 380 HA LEU 47 HA LEU 47 0.273 -1.260 5.554 381 HB2 LEU 47 HB2 LEU 47 -1.318 -0.621 3.962 382 HB3 LEU 47 HB3 LEU 47 -0.621 0.882 4.515 383 HG LEU 47 HG LEU 47 0.894 0.552 2.366 384 HD11 LEU 47 HD11 LEU 47 -1.653 -0.889 1.637 385 HD12 LEU 47 HD12 LEU 47 -0.048 -1.608 1.738 386 HD13 LEU 47 HD13 LEU 47 -0.390 -0.389 0.511 387 HD21 LEU 47 HD21 LEU 47 -0.493 2.462 2.822 388 HD22 LEU 47 HD22 LEU 47 -1.936 1.563 2.353 389 HD23 LEU 47 HD23 LEU 47 -0.703 1.950 1.148 390 H LYS 48 H LYS 48 2.652 -0.616 3.081 391 HA LYS 48 HA LYS 48 2.381 -2.957 1.555 392 HB2 LYS 48 HB2 LYS 48 4.718 -1.214 2.237 393 HB3 LYS 48 HB3 LYS 48 5.009 -2.752 1.448 394 HG2 LYS 48 HG2 LYS 48 4.958 -1.057 -0.200 395 HG3 LYS 48 HG3 LYS 48 3.494 -2.029 -0.382 396 HD2 LYS 48 HD2 LYS 48 2.185 -0.333 0.702 397 HD3 LYS 48 HD3 LYS 48 3.637 0.600 1.090 398 HE2 LYS 48 HE2 LYS 48 2.336 0.141 -1.573 399 HE3 LYS 48 HE3 LYS 48 2.763 1.667 -0.799 400 HZ1 LYS 48 HZ1 LYS 48 5.150 0.933 -1.040 401 HZ2 LYS 48 HZ2 LYS 48 4.355 1.304 -2.497 402 HZ3 LYS 48 HZ3 LYS 48 4.592 -0.306 -2.047 403 H GLU 49 H GLU 49 4.355 -2.338 4.437 404 HA GLU 49 HA GLU 49 5.351 -4.891 4.828 405 HB2 GLU 49 HB2 GLU 49 4.543 -2.949 6.982 406 HB3 GLU 49 HB3 GLU 49 5.734 -4.238 7.114 407 HG2 GLU 49 HG2 GLU 49 7.048 -3.106 5.365 408 HG3 GLU 49 HG3 GLU 49 5.909 -1.769 5.423 409 H SER 50 H SER 50 2.458 -3.427 6.282 410 HA SER 50 HA SER 50 1.564 -5.613 7.715 411 HB2 SER 50 HB2 SER 50 -0.146 -3.567 6.283 412 HB3 SER 50 HB3 SER 50 -0.648 -4.580 7.638 413 HG SER 50 HG SER 50 1.031 -3.558 8.867 414 H TYR 51 H TYR 51 1.294 -4.965 4.292 415 HA TYR 51 HA TYR 51 -0.634 -7.020 3.749 416 HB2 TYR 51 HB2 TYR 51 -0.055 -4.941 2.319 417 HB3 TYR 51 HB3 TYR 51 1.318 -5.880 1.748 418 HD1 TYR 51 HD1 TYR 51 0.255 -8.522 1.287 419 HD2 TYR 51 HD2 TYR 51 -1.592 -4.761 0.626 420 HE1 TYR 51 HE1 TYR 51 -1.156 -9.533 -0.451 421 HE2 TYR 51 HE2 TYR 51 -3.023 -5.763 -1.120 422 HH TYR 51 HH TYR 51 -3.102 -7.622 -2.568 423 H CYS 52 H CYS 52 2.868 -6.719 3.279 424 HA CYS 52 HA CYS 52 3.262 -9.347 2.329 425 HB2 CYS 52 HB2 CYS 52 4.850 -7.485 1.976 426 HB3 CYS 52 HB3 CYS 52 5.257 -7.519 3.686 427 HG CYS 52 HG CYS 52 5.810 -10.055 1.467 428 H GLN 53 H GLN 53 3.166 -8.000 5.559 429 HA GLN 53 HA GLN 53 4.331 -10.272 6.849 430 HB2 GLN 53 HB2 GLN 53 2.658 -8.027 7.982 431 HB3 GLN 53 HB3 GLN 53 3.539 -9.213 8.938 432 HG2 GLN 53 HG2 GLN 53 4.835 -7.385 6.956 433 HG3 GLN 53 HG3 GLN 53 4.660 -6.974 8.664 434 HE21 GLN 53 HE21 GLN 53 6.310 -8.871 6.301 435 HE22 GLN 53 HE22 GLN 53 7.530 -9.504 7.346 436 H ARG 54 H ARG 54 1.049 -9.288 6.065 437 HA ARG 54 HA ARG 54 -0.085 -11.429 7.657 438 HB2 ARG 54 HB2 ARG 54 -1.333 -9.362 5.856 439 HB3 ARG 54 HB3 ARG 54 -2.256 -10.590 6.710 440 HG2 ARG 54 HG2 ARG 54 -0.467 -8.609 8.100 441 HG3 ARG 54 HG3 ARG 54 -2.180 -8.324 7.792 442 HD2 ARG 54 HD2 ARG 54 -1.959 -9.149 10.021 443 HD3 ARG 54 HD3 ARG 54 -2.680 -10.415 9.034 444 HE ARG 54 HE ARG 54 0.199 -10.421 9.658 445 HH11 ARG 54 HH11 ARG 54 -2.940 -11.985 9.747 446 HH12 ARG 54 HH12 ARG 54 -2.323 -13.501 10.296 447 HH21 ARG 54 HH21 ARG 54 1.033 -12.444 10.377 448 HH22 ARG 54 HH22 ARG 54 -0.048 -13.769 10.641 449 H GLN 55 H GLN 55 0.000 -10.582 4.205 450 HA GLN 55 HA GLN 55 -1.169 -13.128 3.505 451 HB2 GLN 55 HB2 GLN 55 -0.318 -10.717 1.938 452 HB3 GLN 55 HB3 GLN 55 -0.714 -12.222 1.120 453 HG2 GLN 55 HG2 GLN 55 -2.654 -10.860 1.083 454 HG3 GLN 55 HG3 GLN 55 -2.946 -12.154 2.238 455 HE21 GLN 55 HE21 GLN 55 -0.981 -9.295 2.850 456 HE22 GLN 55 HE22 GLN 55 -2.044 -8.626 4.039 457 H GLY 56 H GLY 56 1.950 -11.946 4.020 458 HA2 GLY 56 HA2 GLY 56 4.012 -12.889 3.809 459 HA3 GLY 56 HA3 GLY 56 3.184 -14.425 3.607 460 H VAL 57 H VAL 57 2.644 -11.803 1.391 461 HA VAL 57 HA VAL 57 4.031 -13.352 -0.675 462 HB VAL 57 HB VAL 57 2.638 -11.984 -2.297 463 HG11 VAL 57 HG11 VAL 57 2.066 -14.282 -1.724 464 HG12 VAL 57 HG12 VAL 57 0.609 -13.312 -1.950 465 HG13 VAL 57 HG13 VAL 57 1.157 -13.717 -0.323 466 HG21 VAL 57 HG21 VAL 57 1.108 -11.262 0.203 467 HG22 VAL 57 HG22 VAL 57 0.643 -10.877 -1.457 468 HG23 VAL 57 HG23 VAL 57 2.090 -10.150 -0.749 469 HA PRO 58 HA PRO 58 7.063 -10.222 -1.190 470 HB2 PRO 58 HB2 PRO 58 7.500 -10.294 -3.883 471 HB3 PRO 58 HB3 PRO 58 8.083 -11.538 -2.771 472 HG2 PRO 58 HG2 PRO 58 5.662 -11.553 -4.527 473 HG3 PRO 58 HG3 PRO 58 6.827 -12.852 -4.213 474 HD2 PRO 58 HD2 PRO 58 4.414 -12.752 -3.014 475 HD3 PRO 58 HD3 PRO 58 5.851 -13.416 -2.207 476 H MET 59 H MET 59 6.367 -8.209 -0.787 477 HA MET 59 HA MET 59 4.363 -6.907 -2.342 478 HB2 MET 59 HB2 MET 59 5.781 -6.419 0.145 479 HB3 MET 59 HB3 MET 59 5.523 -4.952 -0.785 480 HG2 MET 59 HG2 MET 59 3.741 -5.417 0.878 481 HG3 MET 59 HG3 MET 59 3.149 -5.275 -0.771 482 HE1 MET 59 HE1 MET 59 1.852 -6.785 -1.936 483 HE2 MET 59 HE2 MET 59 1.392 -8.422 -1.492 484 HE3 MET 59 HE3 MET 59 2.966 -8.128 -2.223 485 H ASN 60 H ASN 60 7.586 -7.357 -2.909 486 HA ASN 60 HA ASN 60 8.030 -4.747 -4.130 487 HB2 ASN 60 HB2 ASN 60 9.852 -7.151 -4.112 488 HB3 ASN 60 HB3 ASN 60 10.286 -5.504 -4.556 489 HD21 ASN 60 HD21 ASN 60 8.629 -4.445 -2.347 490 HD22 ASN 60 HD22 ASN 60 9.525 -4.755 -0.910 491 H SER 61 H SER 61 7.675 -8.110 -5.115 492 HA SER 61 HA SER 61 8.067 -7.985 -7.819 493 HB2 SER 61 HB2 SER 61 5.783 -9.515 -6.582 494 HB3 SER 61 HB3 SER 61 6.726 -9.938 -8.012 495 HG SER 61 HG SER 61 8.492 -10.332 -6.716 496 H LEU 62 H LEU 62 5.312 -6.768 -6.050 497 HA LEU 62 HA LEU 62 4.235 -5.749 -8.567 498 HB2 LEU 62 HB2 LEU 62 1.993 -5.695 -7.274 499 HB3 LEU 62 HB3 LEU 62 2.544 -7.197 -7.965 500 HG LEU 62 HG LEU 62 1.467 -7.335 -5.695 501 HD11 LEU 62 HD11 LEU 62 2.759 -9.155 -6.590 502 HD12 LEU 62 HD12 LEU 62 2.995 -9.014 -4.848 503 HD13 LEU 62 HD13 LEU 62 4.239 -8.438 -5.956 504 HD21 LEU 62 HD21 LEU 62 2.830 -6.837 -3.743 505 HD22 LEU 62 HD22 LEU 62 2.478 -5.380 -4.666 506 HD23 LEU 62 HD23 LEU 62 4.070 -6.130 -4.774 507 H ARG 63 H ARG 63 2.809 -3.748 -8.167 508 HA ARG 63 HA ARG 63 4.046 -2.137 -6.050 509 HB2 ARG 63 HB2 ARG 63 4.101 -0.169 -7.487 510 HB3 ARG 63 HB3 ARG 63 5.079 -1.464 -8.152 511 HG2 ARG 63 HG2 ARG 63 2.271 -1.049 -9.096 512 HG3 ARG 63 HG3 ARG 63 3.587 -0.055 -9.720 513 HD2 ARG 63 HD2 ARG 63 4.757 -2.297 -10.185 514 HD3 ARG 63 HD3 ARG 63 3.156 -3.005 -9.962 515 HE ARG 63 HE ARG 63 2.378 -1.694 -11.827 516 HH11 ARG 63 HH11 ARG 63 5.863 -1.898 -11.433 517 HH12 ARG 63 HH12 ARG 63 6.201 -1.401 -13.051 518 HH21 ARG 63 HH21 ARG 63 2.835 -1.019 -13.968 519 HH22 ARG 63 HH22 ARG 63 4.480 -0.933 -14.500 520 H PHE 64 H PHE 64 2.763 0.009 -5.783 521 HA PHE 64 HA PHE 64 -0.047 -0.798 -5.564 522 HB2 PHE 64 HB2 PHE 64 1.656 0.808 -3.652 523 HB3 PHE 64 HB3 PHE 64 -0.096 0.707 -3.532 524 HD1 PHE 64 HD1 PHE 64 2.835 -1.610 -3.842 525 HD2 PHE 64 HD2 PHE 64 -0.944 -0.826 -2.049 526 HE1 PHE 64 HE1 PHE 64 3.050 -3.661 -2.504 527 HE2 PHE 64 HE2 PHE 64 -0.731 -2.880 -0.709 528 HZ PHE 64 HZ PHE 64 1.263 -4.297 -0.935 529 H LEU 65 H LEU 65 -1.151 0.249 -6.959 530 HA LEU 65 HA LEU 65 -0.562 3.107 -7.456 531 HB2 LEU 65 HB2 LEU 65 -1.877 1.228 -9.399 532 HB3 LEU 65 HB3 LEU 65 -1.340 2.862 -9.705 533 HG LEU 65 HG LEU 65 0.431 0.463 -9.217 534 HD11 LEU 65 HD11 LEU 65 -0.010 2.139 -11.678 535 HD12 LEU 65 HD12 LEU 65 -0.606 0.500 -11.415 536 HD13 LEU 65 HD13 LEU 65 1.130 0.802 -11.519 537 HD21 LEU 65 HD21 LEU 65 1.421 2.469 -8.248 538 HD22 LEU 65 HD22 LEU 65 1.191 3.330 -9.771 539 HD23 LEU 65 HD23 LEU 65 2.302 1.962 -9.688 540 H PHE 66 H PHE 66 -2.158 4.525 -7.432 541 HA PHE 66 HA PHE 66 -4.815 3.524 -6.677 542 HB2 PHE 66 HB2 PHE 66 -3.885 4.669 -4.794 543 HB3 PHE 66 HB3 PHE 66 -3.361 6.017 -5.784 544 HD1 PHE 66 HD1 PHE 66 -6.652 4.293 -5.749 545 HD2 PHE 66 HD2 PHE 66 -4.469 7.836 -4.882 546 HE1 PHE 66 HE1 PHE 66 -8.747 5.456 -5.280 547 HE2 PHE 66 HE2 PHE 66 -6.569 9.016 -4.397 548 HZ PHE 66 HZ PHE 66 -8.715 7.828 -4.591 549 H GLU 67 H GLU 67 -5.925 3.586 -8.506 550 HA GLU 67 HA GLU 67 -6.831 4.288 -10.465 551 HB2 GLU 67 HB2 GLU 67 -8.147 6.284 -10.264 552 HB3 GLU 67 HB3 GLU 67 -8.080 5.514 -8.693 553 HG2 GLU 67 HG2 GLU 67 -6.610 7.136 -7.839 554 HG3 GLU 67 HG3 GLU 67 -6.267 7.776 -9.447 555 H GLY 68 H GLY 68 -4.002 4.451 -10.552 556 HA2 GLY 68 HA2 GLY 68 -2.759 5.126 -12.507 557 HA3 GLY 68 HA3 GLY 68 -3.686 6.620 -12.519 558 H GLN 69 H GLN 69 -2.926 6.064 -9.362 559 HA GLN 69 HA GLN 69 -0.724 7.958 -9.479 560 HB2 GLN 69 HB2 GLN 69 -2.500 6.956 -7.276 561 HB3 GLN 69 HB3 GLN 69 -1.050 7.880 -6.926 562 HG2 GLN 69 HG2 GLN 69 -3.338 8.821 -8.642 563 HG3 GLN 69 HG3 GLN 69 -3.111 9.224 -6.942 564 HE21 GLN 69 HE21 GLN 69 -0.187 9.395 -7.263 565 HE22 GLN 69 HE22 GLN 69 0.098 10.906 -8.045 566 H ARG 70 H ARG 70 1.220 7.562 -8.588 567 HA ARG 70 HA ARG 70 1.863 4.727 -8.230 568 HB2 ARG 70 HB2 ARG 70 4.281 5.575 -8.621 569 HB3 ARG 70 HB3 ARG 70 3.195 5.400 -9.991 570 HG2 ARG 70 HG2 ARG 70 3.453 8.032 -8.617 571 HG3 ARG 70 HG3 ARG 70 4.680 7.513 -9.776 572 HD2 ARG 70 HD2 ARG 70 2.934 7.207 -11.479 573 HD3 ARG 70 HD3 ARG 70 1.712 7.726 -10.320 574 HE ARG 70 HE ARG 70 3.846 9.606 -10.766 575 HH11 ARG 70 HH11 ARG 70 0.639 8.561 -11.796 576 HH12 ARG 70 HH12 ARG 70 0.235 10.085 -12.491 577 HH21 ARG 70 HH21 ARG 70 3.322 11.602 -11.698 578 HH22 ARG 70 HH22 ARG 70 1.779 11.835 -12.445 579 H ILE 71 H ILE 71 2.133 4.083 -6.244 580 HA ILE 71 HA ILE 71 2.991 6.072 -4.273 581 HB ILE 71 HB ILE 71 1.372 3.536 -3.897 582 HG12 ILE 71 HG12 ILE 71 -0.280 5.244 -2.888 583 HG13 ILE 71 HG13 ILE 71 0.697 6.473 -3.679 584 HG21 ILE 71 HG21 ILE 71 2.321 5.458 -1.775 585 HG22 ILE 71 HG22 ILE 71 2.936 3.828 -2.042 586 HG23 ILE 71 HG23 ILE 71 1.267 4.064 -1.527 587 HD11 ILE 71 HD11 ILE 71 0.209 5.466 -5.850 588 HD12 ILE 71 HD12 ILE 71 -1.270 5.894 -4.997 589 HD13 ILE 71 HD13 ILE 71 -0.745 4.212 -5.058 590 H ALA 72 H ALA 72 5.226 5.834 -4.438 591 HA ALA 72 HA ALA 72 6.271 3.135 -4.068 592 HB1 ALA 72 HB1 ALA 72 8.434 4.041 -4.708 593 HB2 ALA 72 HB2 ALA 72 7.753 5.666 -4.760 594 HB3 ALA 72 HB3 ALA 72 7.210 4.447 -5.912 595 H ASP 73 H ASP 73 5.423 3.223 -1.902 596 HA ASP 73 HA ASP 73 5.651 3.258 0.351 597 HB2 ASP 73 HB2 ASP 73 8.548 3.103 -0.444 598 HB3 ASP 73 HB3 ASP 73 7.907 2.694 1.145 599 H ASN 74 H ASN 74 5.644 6.010 -0.805 600 HA ASN 74 HA ASN 74 6.592 7.298 1.612 601 HB2 ASN 74 HB2 ASN 74 8.018 8.907 0.634 602 HB3 ASN 74 HB3 ASN 74 8.500 7.375 -0.084 603 HD21 ASN 74 HD21 ASN 74 8.026 6.983 -2.237 604 HD22 ASN 74 HD22 ASN 74 7.604 8.259 -3.323 605 H HIS 75 H HIS 75 4.667 7.279 -1.240 606 HA HIS 75 HA HIS 75 3.525 9.814 -1.173 607 HB2 HIS 75 HB2 HIS 75 3.207 7.475 -2.648 608 HB3 HIS 75 HB3 HIS 75 1.644 7.710 -1.877 609 HD1 HIS 75 HD1 HIS 75 3.405 8.572 -4.845 610 HD2 HIS 75 HD2 HIS 75 0.731 10.552 -2.360 611 HE1 HIS 75 HE1 HIS 75 2.454 10.424 -6.221 612 HE2 HIS 75 HE2 HIS 75 0.891 11.656 -4.698 613 H THR 76 H THR 76 1.578 10.540 -0.241 614 HA THR 76 HA THR 76 0.816 9.051 2.179 615 HB THR 76 HB THR 76 0.316 11.249 3.211 616 HG1 THR 76 HG1 THR 76 1.753 12.755 1.472 617 HG21 THR 76 HG21 THR 76 2.508 10.226 3.562 618 HG22 THR 76 HG22 THR 76 2.632 11.986 3.494 619 HG23 THR 76 HG23 THR 76 3.104 11.009 2.100 620 HA PRO 77 HA PRO 77 -3.411 8.994 0.908 621 HB2 PRO 77 HB2 PRO 77 -4.671 9.706 3.277 622 HB3 PRO 77 HB3 PRO 77 -4.103 8.080 2.900 623 HG2 PRO 77 HG2 PRO 77 -2.818 10.203 4.551 624 HG3 PRO 77 HG3 PRO 77 -2.870 8.452 4.814 625 HD2 PRO 77 HD2 PRO 77 -0.683 9.691 3.863 626 HD3 PRO 77 HD3 PRO 77 -1.134 8.056 3.342 627 H LYS 78 H LYS 78 -2.224 11.804 2.617 628 HA LYS 78 HA LYS 78 -4.416 13.522 1.930 629 HB2 LYS 78 HB2 LYS 78 -3.034 15.326 2.848 630 HB3 LYS 78 HB3 LYS 78 -3.001 13.936 3.915 631 HG2 LYS 78 HG2 LYS 78 -0.810 13.440 3.439 632 HG3 LYS 78 HG3 LYS 78 -0.855 14.251 1.876 633 HD2 LYS 78 HD2 LYS 78 -0.907 16.417 2.983 634 HD3 LYS 78 HD3 LYS 78 -0.919 15.631 4.560 635 HE2 LYS 78 HE2 LYS 78 1.256 14.611 4.049 636 HE3 LYS 78 HE3 LYS 78 1.267 15.438 2.494 637 HZ1 LYS 78 HZ1 LYS 78 2.583 16.622 4.129 638 HZ2 LYS 78 HZ2 LYS 78 1.248 16.768 5.153 639 HZ3 LYS 78 HZ3 LYS 78 1.255 17.557 3.662 640 H GLU 79 H GLU 79 -1.336 12.677 0.556 641 HA GLU 79 HA GLU 79 -1.259 14.839 -1.323 642 HB2 GLU 79 HB2 GLU 79 0.761 13.829 -0.366 643 HB3 GLU 79 HB3 GLU 79 0.347 12.295 -1.102 644 HG2 GLU 79 HG2 GLU 79 0.733 13.149 -3.280 645 HG3 GLU 79 HG3 GLU 79 0.907 14.795 -2.666 646 H LEU 80 H LEU 80 -2.439 11.591 -1.214 647 HA LEU 80 HA LEU 80 -2.731 11.318 -4.072 648 HB2 LEU 80 HB2 LEU 80 -3.768 9.686 -1.768 649 HB3 LEU 80 HB3 LEU 80 -3.947 9.248 -3.455 650 HG LEU 80 HG LEU 80 -1.245 9.683 -2.231 651 HD11 LEU 80 HD11 LEU 80 -2.822 7.125 -2.337 652 HD12 LEU 80 HD12 LEU 80 -2.385 8.038 -0.887 653 HD13 LEU 80 HD13 LEU 80 -1.125 7.285 -1.868 654 HD21 LEU 80 HD21 LEU 80 -1.403 9.653 -4.669 655 HD22 LEU 80 HD22 LEU 80 -2.209 8.086 -4.601 656 HD23 LEU 80 HD23 LEU 80 -0.537 8.244 -4.062 657 H GLY 81 H GLY 81 -4.500 12.812 -1.575 658 HA2 GLY 81 HA2 GLY 81 -6.477 13.994 -1.742 659 HA3 GLY 81 HA3 GLY 81 -6.599 13.469 -3.415 660 H MET 82 H MET 82 -6.190 11.045 -0.947 661 HA MET 82 HA MET 82 -8.906 10.158 -1.616 662 HB2 MET 82 HB2 MET 82 -8.220 7.895 -1.170 663 HB3 MET 82 HB3 MET 82 -7.082 8.616 -2.292 664 HG2 MET 82 HG2 MET 82 -5.528 8.987 -0.404 665 HG3 MET 82 HG3 MET 82 -6.663 8.143 0.649 666 HE1 MET 82 HE1 MET 82 -4.027 5.349 0.400 667 HE2 MET 82 HE2 MET 82 -5.034 6.357 1.438 668 HE3 MET 82 HE3 MET 82 -3.695 7.075 0.542 669 H GLU 83 H GLU 83 -9.754 8.618 0.260 670 HA GLU 83 HA GLU 83 -9.217 9.852 2.852 671 HB2 GLU 83 HB2 GLU 83 -11.210 10.925 1.421 672 HB3 GLU 83 HB3 GLU 83 -12.090 9.561 2.090 673 HG2 GLU 83 HG2 GLU 83 -11.523 10.313 4.364 674 HG3 GLU 83 HG3 GLU 83 -10.630 11.665 3.680 675 H GLU 84 H GLU 84 -11.537 8.625 4.077 676 HA GLU 84 HA GLU 84 -10.449 6.077 4.587 677 HB2 GLU 84 HB2 GLU 84 -12.402 5.743 6.019 678 HB3 GLU 84 HB3 GLU 84 -11.655 7.310 6.293 679 HG2 GLU 84 HG2 GLU 84 -13.366 8.386 4.969 680 HG3 GLU 84 HG3 GLU 84 -14.103 6.824 4.618 681 H GLU 85 H GLU 85 -11.521 4.069 4.388 682 HA GLU 85 HA GLU 85 -12.112 2.361 3.107 683 HB2 GLU 85 HB2 GLU 85 -14.480 2.334 2.296 684 HB3 GLU 85 HB3 GLU 85 -14.264 2.644 4.006 685 HG2 GLU 85 HG2 GLU 85 -14.671 5.023 3.606 686 HG3 GLU 85 HG3 GLU 85 -14.908 4.684 1.890 687 H ASP 86 H ASP 86 -10.471 4.113 1.805 688 HA ASP 86 HA ASP 86 -11.396 4.225 -0.926 689 HB2 ASP 86 HB2 ASP 86 -9.340 5.448 0.643 690 HB3 ASP 86 HB3 ASP 86 -8.606 4.670 -0.750 691 H VAL 87 H VAL 87 -9.988 3.221 -2.634 692 HA VAL 87 HA VAL 87 -8.871 0.709 -1.643 693 HB VAL 87 HB VAL 87 -11.051 0.247 -2.685 694 HG11 VAL 87 HG11 VAL 87 -9.835 1.433 -5.168 695 HG12 VAL 87 HG12 VAL 87 -11.204 2.058 -4.248 696 HG13 VAL 87 HG13 VAL 87 -11.348 0.528 -5.110 697 HG21 VAL 87 HG21 VAL 87 -8.707 -0.764 -4.294 698 HG22 VAL 87 HG22 VAL 87 -10.315 -1.489 -4.264 699 HG23 VAL 87 HG23 VAL 87 -9.332 -1.462 -2.800 700 H ILE 88 H ILE 88 -7.030 0.134 -2.374 701 HA ILE 88 HA ILE 88 -5.749 1.762 -4.488 702 HB ILE 88 HB ILE 88 -4.293 0.157 -2.372 703 HG12 ILE 88 HG12 ILE 88 -5.575 2.034 -1.346 704 HG13 ILE 88 HG13 ILE 88 -3.833 2.246 -1.206 705 HG21 ILE 88 HG21 ILE 88 -3.301 2.248 -4.294 706 HG22 ILE 88 HG22 ILE 88 -3.051 0.509 -4.431 707 HG23 ILE 88 HG23 ILE 88 -2.327 1.402 -3.089 708 HD11 ILE 88 HD11 ILE 88 -5.598 3.588 -3.238 709 HD12 ILE 88 HD12 ILE 88 -3.862 3.827 -3.036 710 HD13 ILE 88 HD13 ILE 88 -4.974 4.324 -1.762 711 H GLU 89 H GLU 89 -4.573 0.649 -6.098 712 HA GLU 89 HA GLU 89 -5.393 -2.156 -6.318 713 HB2 GLU 89 HB2 GLU 89 -4.757 -0.329 -8.620 714 HB3 GLU 89 HB3 GLU 89 -5.644 -1.850 -8.645 715 HG2 GLU 89 HG2 GLU 89 -7.373 -0.712 -7.195 716 HG3 GLU 89 HG3 GLU 89 -6.536 0.791 -7.537 717 H VAL 90 H VAL 90 -3.863 -3.628 -6.466 718 HA VAL 90 HA VAL 90 -1.095 -2.704 -6.724 719 HB VAL 90 HB VAL 90 -2.147 -5.301 -5.582 720 HG11 VAL 90 HG11 VAL 90 0.045 -5.589 -6.541 721 HG12 VAL 90 HG12 VAL 90 0.133 -5.633 -4.778 722 HG13 VAL 90 HG13 VAL 90 0.638 -4.186 -5.654 723 HG21 VAL 90 HG21 VAL 90 -1.018 -2.873 -4.216 724 HG22 VAL 90 HG22 VAL 90 -1.463 -4.385 -3.424 725 HG23 VAL 90 HG23 VAL 90 -2.705 -3.388 -4.190 726 H TYR 91 H TYR 91 -0.028 -3.114 -8.512 727 HA TYR 91 HA TYR 91 -1.060 -5.179 -10.350 728 HB2 TYR 91 HB2 TYR 91 0.479 -2.662 -10.982 729 HB3 TYR 91 HB3 TYR 91 -0.050 -3.853 -12.163 730 HD1 TYR 91 HD1 TYR 91 -1.154 -1.246 -9.820 731 HD2 TYR 91 HD2 TYR 91 -2.334 -3.903 -12.919 732 HE1 TYR 91 HE1 TYR 91 -3.267 -0.034 -10.043 733 HE2 TYR 91 HE2 TYR 91 -4.463 -2.692 -13.142 734 HH TYR 91 HH TYR 91 -5.908 -1.233 -11.774 735 H GLN 92 H GLN 92 0.331 -6.666 -11.166 736 HA GLN 92 HA GLN 92 2.847 -6.943 -9.770 737 HB2 GLN 92 HB2 GLN 92 1.059 -8.784 -10.353 738 HB3 GLN 92 HB3 GLN 92 1.916 -8.850 -11.883 739 HG2 GLN 92 HG2 GLN 92 3.242 -9.210 -9.204 740 HG3 GLN 92 HG3 GLN 92 2.621 -10.538 -10.177 741 HE21 GLN 92 HE21 GLN 92 5.329 -9.886 -9.285 742 HE22 GLN 92 HE22 GLN 92 6.293 -9.808 -10.714 743 H GLU 93 H GLU 93 4.661 -6.166 -10.495 744 HA GLU 93 HA GLU 93 5.743 -6.618 -12.966 745 HB2 GLU 93 HB2 GLU 93 4.069 -5.131 -13.881 746 HB3 GLU 93 HB3 GLU 93 4.593 -3.826 -12.824 747 HG2 GLU 93 HG2 GLU 93 6.658 -3.625 -13.968 748 HG3 GLU 93 HG3 GLU 93 6.414 -5.144 -14.828 749 H GLN 94 H GLN 94 7.417 -6.979 -11.980 750 HA GLN 94 HA GLN 94 8.631 -5.408 -9.930 751 HB2 GLN 94 HB2 GLN 94 10.564 -6.839 -10.084 752 HB3 GLN 94 HB3 GLN 94 9.112 -7.819 -10.189 753 HG2 GLN 94 HG2 GLN 94 9.388 -8.045 -12.570 754 HG3 GLN 94 HG3 GLN 94 10.766 -6.950 -12.543 755 HE21 GLN 94 HE21 GLN 94 9.620 -10.122 -11.772 756 HE22 GLN 94 HE22 GLN 94 11.171 -10.828 -11.489 757 H THR 95 H THR 95 10.649 -4.239 -10.032 758 HA THR 95 HA THR 95 11.327 -3.214 -12.683 759 HB THR 95 HB THR 95 9.753 -1.587 -11.731 760 HG1 THR 95 HG1 THR 95 12.473 -0.735 -11.717 761 HG21 THR 95 HG21 THR 95 11.698 -1.398 -9.421 762 HG22 THR 95 HG22 THR 95 10.070 -2.075 -9.353 763 HG23 THR 95 HG23 THR 95 10.296 -0.354 -9.670 764 H GLY 96 H GLY 96 12.598 -5.107 -10.798 765 HA2 GLY 96 HA2 GLY 96 14.909 -5.473 -10.623 766 HA3 GLY 96 HA3 GLY 96 15.162 -3.731 -10.611 767 H GLY 97 H GLY 97 14.379 -2.561 -8.688 768 HA2 GLY 97 HA2 GLY 97 14.088 -2.322 -6.406 769 HA3 GLY 97 HA3 GLY 97 13.879 -4.064 -6.288 Start of MODEL 15 1 H MET 1 H MET 1 -22.506 35.855 38.697 2 HA MET 1 HA MET 1 -22.656 33.970 37.251 3 HB2 MET 1 HB2 MET 1 -19.663 33.815 37.679 4 HB3 MET 1 HB3 MET 1 -20.632 32.582 36.893 5 HG2 MET 1 HG2 MET 1 -21.197 34.141 35.115 6 HG3 MET 1 HG3 MET 1 -20.260 35.401 35.911 7 HE1 MET 1 HE1 MET 1 -18.822 35.872 33.767 8 HE2 MET 1 HE2 MET 1 -19.787 34.682 32.892 9 HE3 MET 1 HE3 MET 1 -18.027 34.615 32.821 10 H SER 2 H SER 2 -22.414 31.654 38.112 11 HA SER 2 HA SER 2 -22.872 31.706 40.927 12 HB2 SER 2 HB2 SER 2 -23.063 29.195 40.594 13 HB3 SER 2 HB3 SER 2 -24.179 30.172 39.642 14 HG SER 2 HG SER 2 -23.148 28.519 38.417 15 H ASP 3 H ASP 3 -21.680 30.162 42.404 16 HA ASP 3 HA ASP 3 -18.941 30.811 42.350 17 HB2 ASP 3 HB2 ASP 3 -18.715 29.697 44.398 18 HB3 ASP 3 HB3 ASP 3 -20.385 30.241 44.413 19 H GLN 4 H GLN 4 -17.270 29.849 41.499 20 HA GLN 4 HA GLN 4 -17.480 27.060 40.642 21 HB2 GLN 4 HB2 GLN 4 -16.421 27.708 38.461 22 HB3 GLN 4 HB3 GLN 4 -18.078 28.258 38.675 23 HG2 GLN 4 HG2 GLN 4 -16.971 30.439 39.528 24 HG3 GLN 4 HG3 GLN 4 -15.546 29.828 38.688 25 HE21 GLN 4 HE21 GLN 4 -18.797 30.988 38.351 26 HE22 GLN 4 HE22 GLN 4 -18.731 31.269 36.644 27 H GLU 5 H GLU 5 -15.516 25.974 40.465 28 HA GLU 5 HA GLU 5 -13.092 27.379 41.171 29 HB2 GLU 5 HB2 GLU 5 -12.592 25.780 43.043 30 HB3 GLU 5 HB3 GLU 5 -13.871 26.937 43.379 31 HG2 GLU 5 HG2 GLU 5 -15.512 25.136 42.786 32 HG3 GLU 5 HG3 GLU 5 -14.153 24.014 42.730 33 H ALA 6 H ALA 6 -14.601 24.286 40.446 34 HA ALA 6 HA ALA 6 -12.081 23.436 39.205 35 HB1 ALA 6 HB1 ALA 6 -14.419 21.736 40.074 36 HB2 ALA 6 HB2 ALA 6 -12.908 21.932 40.961 37 HB3 ALA 6 HB3 ALA 6 -12.907 21.148 39.381 38 H LYS 7 H LYS 7 -12.293 24.414 37.226 39 HA LYS 7 HA LYS 7 -14.742 24.043 35.693 40 HB2 LYS 7 HB2 LYS 7 -13.697 25.517 34.036 41 HB3 LYS 7 HB3 LYS 7 -13.646 26.240 35.635 42 HG2 LYS 7 HG2 LYS 7 -11.343 25.844 35.861 43 HG3 LYS 7 HG3 LYS 7 -11.322 24.716 34.506 44 HD2 LYS 7 HD2 LYS 7 -11.911 27.668 34.275 45 HD3 LYS 7 HD3 LYS 7 -10.332 26.937 33.986 46 HE2 LYS 7 HE2 LYS 7 -11.410 25.504 32.230 47 HE3 LYS 7 HE3 LYS 7 -12.883 26.443 32.451 48 HZ1 LYS 7 HZ1 LYS 7 -11.633 28.440 31.834 49 HZ2 LYS 7 HZ2 LYS 7 -11.622 27.294 30.597 50 HZ3 LYS 7 HZ3 LYS 7 -10.255 27.504 31.560 51 HA PRO 8 HA PRO 8 -13.133 20.680 33.283 52 HB2 PRO 8 HB2 PRO 8 -14.454 21.026 30.949 53 HB3 PRO 8 HB3 PRO 8 -15.271 20.481 32.418 54 HG2 PRO 8 HG2 PRO 8 -15.168 23.215 31.212 55 HG3 PRO 8 HG3 PRO 8 -16.548 22.357 31.916 56 HD2 PRO 8 HD2 PRO 8 -15.138 24.258 33.257 57 HD3 PRO 8 HD3 PRO 8 -15.949 22.902 34.067 58 H SER 9 H SER 9 -12.574 20.517 30.637 59 HA SER 9 HA SER 9 -10.852 22.766 29.938 60 HB2 SER 9 HB2 SER 9 -9.465 21.135 31.199 61 HB3 SER 9 HB3 SER 9 -9.896 19.891 30.029 62 HG SER 9 HG SER 9 -8.314 20.584 28.881 63 H THR 10 H THR 10 -10.830 23.168 27.777 64 HA THR 10 HA THR 10 -12.585 21.585 26.129 65 HB THR 10 HB THR 10 -11.016 24.072 25.416 66 HG1 THR 10 HG1 THR 10 -13.630 23.644 26.455 67 HG21 THR 10 HG21 THR 10 -13.379 22.748 24.073 68 HG22 THR 10 HG22 THR 10 -11.720 22.721 23.484 69 HG23 THR 10 HG23 THR 10 -12.603 24.249 23.559 70 H GLU 11 H GLU 11 -11.649 19.709 25.569 71 HA GLU 11 HA GLU 11 -9.635 19.782 23.555 72 HB2 GLU 11 HB2 GLU 11 -8.131 18.150 24.751 73 HB3 GLU 11 HB3 GLU 11 -8.110 19.786 25.393 74 HG2 GLU 11 HG2 GLU 11 -9.755 19.016 27.118 75 HG3 GLU 11 HG3 GLU 11 -9.458 17.369 26.555 76 H ASP 12 H ASP 12 -9.504 17.775 22.416 77 HA ASP 12 HA ASP 12 -12.018 16.401 22.461 78 HB2 ASP 12 HB2 ASP 12 -10.944 16.917 20.342 79 HB3 ASP 12 HB3 ASP 12 -9.556 15.929 20.790 80 H LEU 13 H LEU 13 -8.706 15.601 23.404 81 HA LEU 13 HA LEU 13 -9.770 13.236 24.711 82 HB2 LEU 13 HB2 LEU 13 -7.351 13.362 22.923 83 HB3 LEU 13 HB3 LEU 13 -7.554 12.109 24.130 84 HG LEU 13 HG LEU 13 -9.459 12.610 21.859 85 HD11 LEU 13 HD11 LEU 13 -7.318 10.513 22.166 86 HD12 LEU 13 HD12 LEU 13 -7.301 11.856 21.023 87 HD13 LEU 13 HD13 LEU 13 -8.509 10.581 20.867 88 HD21 LEU 13 HD21 LEU 13 -10.346 10.397 22.467 89 HD22 LEU 13 HD22 LEU 13 -10.536 11.575 23.763 90 HD23 LEU 13 HD23 LEU 13 -9.260 10.362 23.855 91 H GLY 14 H GLY 14 -8.708 12.716 26.648 92 HA2 GLY 14 HA2 GLY 14 -6.774 14.739 27.554 93 HA3 GLY 14 HA3 GLY 14 -8.110 14.198 28.568 94 H ASP 15 H ASP 15 -5.987 12.376 26.429 95 HA ASP 15 HA ASP 15 -4.750 11.029 28.688 96 HB2 ASP 15 HB2 ASP 15 -6.714 9.639 28.228 97 HB3 ASP 15 HB3 ASP 15 -6.295 9.570 26.521 98 H LYS 16 H LYS 16 -4.832 9.770 25.416 99 HA LYS 16 HA LYS 16 -2.062 10.605 25.090 100 HB2 LYS 16 HB2 LYS 16 -1.876 9.025 23.298 101 HB3 LYS 16 HB3 LYS 16 -2.722 8.212 24.595 102 HG2 LYS 16 HG2 LYS 16 -4.066 9.404 22.167 103 HG3 LYS 16 HG3 LYS 16 -3.591 7.715 22.318 104 HD2 LYS 16 HD2 LYS 16 -5.037 7.774 24.479 105 HD3 LYS 16 HD3 LYS 16 -5.743 9.220 23.756 106 HE2 LYS 16 HE2 LYS 16 -5.685 6.434 22.594 107 HE3 LYS 16 HE3 LYS 16 -7.098 7.321 23.159 108 HZ1 LYS 16 HZ1 LYS 16 -7.017 7.399 20.787 109 HZ2 LYS 16 HZ2 LYS 16 -5.427 7.953 20.784 110 HZ3 LYS 16 HZ3 LYS 16 -6.666 8.948 21.356 111 H LYS 17 H LYS 17 -1.624 11.245 22.574 112 HA LYS 17 HA LYS 17 -2.991 13.695 22.375 113 HB2 LYS 17 HB2 LYS 17 -0.767 12.420 21.041 114 HB3 LYS 17 HB3 LYS 17 -1.757 13.396 19.963 115 HG2 LYS 17 HG2 LYS 17 -1.625 15.197 21.615 116 HG3 LYS 17 HG3 LYS 17 -0.402 14.253 22.481 117 HD2 LYS 17 HD2 LYS 17 0.832 15.687 21.108 118 HD3 LYS 17 HD3 LYS 17 0.785 14.165 20.208 119 HE2 LYS 17 HE2 LYS 17 0.315 15.980 18.703 120 HE3 LYS 17 HE3 LYS 17 -1.138 15.006 18.954 121 HZ1 LYS 17 HZ1 LYS 17 -0.568 17.551 20.382 122 HZ2 LYS 17 HZ2 LYS 17 -1.985 16.642 20.473 123 HZ3 LYS 17 HZ3 LYS 17 -1.577 17.416 19.033 124 H GLU 18 H GLU 18 -4.021 14.506 20.523 125 HA GLU 18 HA GLU 18 -5.802 12.495 19.390 126 HB2 GLU 18 HB2 GLU 18 -7.341 14.377 18.929 127 HB3 GLU 18 HB3 GLU 18 -6.998 14.177 20.637 128 HG2 GLU 18 HG2 GLU 18 -5.385 16.023 20.502 129 HG3 GLU 18 HG3 GLU 18 -5.807 16.242 18.806 130 H GLY 19 H GLY 19 -6.095 12.358 17.266 131 HA2 GLY 19 HA2 GLY 19 -4.971 14.143 15.348 132 HA3 GLY 19 HA3 GLY 19 -4.042 12.650 15.501 133 H GLU 20 H GLU 20 -5.217 13.035 13.040 134 HA GLU 20 HA GLU 20 -7.716 11.596 13.196 135 HB2 GLU 20 HB2 GLU 20 -7.657 13.708 11.933 136 HB3 GLU 20 HB3 GLU 20 -6.446 13.013 10.863 137 HG2 GLU 20 HG2 GLU 20 -8.622 12.929 9.856 138 HG3 GLU 20 HG3 GLU 20 -8.007 11.309 10.188 139 H TYR 21 H TYR 21 -8.006 9.642 12.369 140 HA TYR 21 HA TYR 21 -5.832 8.331 10.893 141 HB2 TYR 21 HB2 TYR 21 -7.314 7.059 13.213 142 HB3 TYR 21 HB3 TYR 21 -6.041 6.319 12.257 143 HD1 TYR 21 HD1 TYR 21 -6.792 8.779 14.881 144 HD2 TYR 21 HD2 TYR 21 -3.712 6.845 12.674 145 HE1 TYR 21 HE1 TYR 21 -5.136 9.576 16.505 146 HE2 TYR 21 HE2 TYR 21 -2.049 7.640 14.296 147 HH TYR 21 HH TYR 21 -2.880 8.910 17.300 148 H ILE 22 H ILE 22 -6.652 7.163 9.119 149 HA ILE 22 HA ILE 22 -9.501 6.580 9.215 150 HB ILE 22 HB ILE 22 -9.531 7.122 6.740 151 HG12 ILE 22 HG12 ILE 22 -7.788 9.105 6.331 152 HG13 ILE 22 HG13 ILE 22 -6.827 8.149 7.450 153 HG21 ILE 22 HG21 ILE 22 -10.644 8.523 8.370 154 HG22 ILE 22 HG22 ILE 22 -9.910 9.526 7.119 155 HG23 ILE 22 HG23 ILE 22 -9.138 9.379 8.697 156 HD11 ILE 22 HD11 ILE 22 -6.312 7.606 5.138 157 HD12 ILE 22 HD12 ILE 22 -7.998 7.163 4.858 158 HD13 ILE 22 HD13 ILE 22 -7.014 6.225 5.978 159 H LYS 23 H LYS 23 -10.163 4.876 7.766 160 HA LYS 23 HA LYS 23 -8.065 2.836 7.490 161 HB2 LYS 23 HB2 LYS 23 -9.870 1.215 7.472 162 HB3 LYS 23 HB3 LYS 23 -10.063 2.281 8.857 163 HG2 LYS 23 HG2 LYS 23 -11.823 3.482 7.792 164 HG3 LYS 23 HG3 LYS 23 -11.530 2.660 6.261 165 HD2 LYS 23 HD2 LYS 23 -12.171 0.527 7.320 166 HD3 LYS 23 HD3 LYS 23 -12.530 1.401 8.811 167 HE2 LYS 23 HE2 LYS 23 -14.232 2.704 7.655 168 HE3 LYS 23 HE3 LYS 23 -13.844 1.896 6.141 169 HZ1 LYS 23 HZ1 LYS 23 -14.933 0.581 8.568 170 HZ2 LYS 23 HZ2 LYS 23 -14.565 -0.186 7.107 171 HZ3 LYS 23 HZ3 LYS 23 -15.800 0.963 7.172 172 H LEU 24 H LEU 24 -7.890 1.608 5.582 173 HA LEU 24 HA LEU 24 -9.513 2.386 3.303 174 HB2 LEU 24 HB2 LEU 24 -6.529 2.237 2.964 175 HB3 LEU 24 HB3 LEU 24 -7.728 2.849 1.858 176 HG LEU 24 HG LEU 24 -8.018 4.530 3.993 177 HD11 LEU 24 HD11 LEU 24 -5.076 4.034 3.631 178 HD12 LEU 24 HD12 LEU 24 -6.018 3.517 5.028 179 HD13 LEU 24 HD13 LEU 24 -5.831 5.237 4.675 180 HD21 LEU 24 HD21 LEU 24 -8.016 5.201 1.699 181 HD22 LEU 24 HD22 LEU 24 -6.312 4.787 1.535 182 HD23 LEU 24 HD23 LEU 24 -6.799 6.137 2.567 183 H LYS 25 H LYS 25 -8.525 0.964 1.344 184 HA LYS 25 HA LYS 25 -7.982 -1.744 2.280 185 HB2 LYS 25 HB2 LYS 25 -10.408 -1.671 2.221 186 HB3 LYS 25 HB3 LYS 25 -10.376 -0.984 0.607 187 HG2 LYS 25 HG2 LYS 25 -8.914 -3.429 0.562 188 HG3 LYS 25 HG3 LYS 25 -10.457 -3.710 1.363 189 HD2 LYS 25 HD2 LYS 25 -10.083 -2.441 -1.345 190 HD3 LYS 25 HD3 LYS 25 -10.613 -4.097 -1.046 191 HE2 LYS 25 HE2 LYS 25 -12.525 -3.127 0.265 192 HE3 LYS 25 HE3 LYS 25 -12.033 -1.547 -0.342 193 HZ1 LYS 25 HZ1 LYS 25 -13.801 -2.494 -1.685 194 HZ2 LYS 25 HZ2 LYS 25 -12.864 -3.855 -2.019 195 HZ3 LYS 25 HZ3 LYS 25 -12.390 -2.342 -2.604 196 H VAL 26 H VAL 26 -6.859 -2.934 0.783 197 HA VAL 26 HA VAL 26 -6.534 -1.763 -1.883 198 HB VAL 26 HB VAL 26 -4.176 -1.817 -1.911 199 HG11 VAL 26 HG11 VAL 26 -5.052 0.067 -0.615 200 HG12 VAL 26 HG12 VAL 26 -3.441 -0.416 -0.083 201 HG13 VAL 26 HG13 VAL 26 -4.860 -0.876 0.860 202 HG21 VAL 26 HG21 VAL 26 -3.856 -3.980 -0.884 203 HG22 VAL 26 HG22 VAL 26 -4.227 -3.302 0.701 204 HG23 VAL 26 HG23 VAL 26 -2.776 -2.786 -0.163 205 H ILE 27 H ILE 27 -6.364 -3.206 -3.514 206 HA ILE 27 HA ILE 27 -6.353 -6.053 -2.753 207 HB ILE 27 HB ILE 27 -7.814 -4.748 -5.062 208 HG12 ILE 27 HG12 ILE 27 -9.086 -6.058 -2.682 209 HG13 ILE 27 HG13 ILE 27 -8.650 -4.350 -2.648 210 HG21 ILE 27 HG21 ILE 27 -8.880 -6.952 -5.330 211 HG22 ILE 27 HG22 ILE 27 -7.840 -7.592 -4.055 212 HG23 ILE 27 HG23 ILE 27 -7.132 -7.025 -5.567 213 HD11 ILE 27 HD11 ILE 27 -10.989 -4.684 -3.219 214 HD12 ILE 27 HD12 ILE 27 -10.516 -5.657 -4.615 215 HD13 ILE 27 HD13 ILE 27 -10.099 -3.942 -4.546 216 H GLY 28 H GLY 28 -5.084 -7.394 -3.961 217 HA2 GLY 28 HA2 GLY 28 -3.525 -6.097 -6.098 218 HA3 GLY 28 HA3 GLY 28 -2.795 -7.218 -4.949 219 H GLN 29 H GLN 29 -2.371 -7.794 -7.466 220 HA GLN 29 HA GLN 29 -4.341 -9.305 -8.799 221 HB2 GLN 29 HB2 GLN 29 -2.646 -9.959 -10.316 222 HB3 GLN 29 HB3 GLN 29 -2.257 -8.326 -9.806 223 HG2 GLN 29 HG2 GLN 29 -0.958 -10.836 -8.771 224 HG3 GLN 29 HG3 GLN 29 -0.274 -9.750 -9.976 225 HE21 GLN 29 HE21 GLN 29 -0.799 -10.350 -6.656 226 HE22 GLN 29 HE22 GLN 29 0.062 -8.981 -6.038 227 H ASP 30 H ASP 30 -2.913 -9.997 -5.953 228 HA ASP 30 HA ASP 30 -2.582 -12.854 -6.269 229 HB2 ASP 30 HB2 ASP 30 -1.157 -11.538 -4.716 230 HB3 ASP 30 HB3 ASP 30 -2.584 -11.109 -3.785 231 H SER 31 H SER 31 -5.170 -10.877 -6.176 232 HA SER 31 HA SER 31 -7.397 -11.095 -5.813 233 HB2 SER 31 HB2 SER 31 -6.768 -14.014 -5.267 234 HB3 SER 31 HB3 SER 31 -8.373 -13.341 -5.562 235 HG SER 31 HG SER 31 -6.921 -12.527 -7.562 236 H SER 32 H SER 32 -5.277 -10.823 -3.658 237 HA SER 32 HA SER 32 -7.018 -11.325 -1.367 238 HB2 SER 32 HB2 SER 32 -4.016 -10.990 -1.500 239 HB3 SER 32 HB3 SER 32 -4.942 -11.202 -0.012 240 HG SER 32 HG SER 32 -4.070 -13.050 -1.788 241 H GLU 33 H GLU 33 -6.677 -9.659 0.394 242 HA GLU 33 HA GLU 33 -5.982 -7.037 -0.518 243 HB2 GLU 33 HB2 GLU 33 -8.150 -6.031 -0.222 244 HB3 GLU 33 HB3 GLU 33 -8.264 -7.328 -1.400 245 HG2 GLU 33 HG2 GLU 33 -9.268 -8.784 0.234 246 HG3 GLU 33 HG3 GLU 33 -9.069 -7.552 1.482 247 H ILE 34 H ILE 34 -6.323 -5.453 1.234 248 HA ILE 34 HA ILE 34 -6.490 -6.661 3.880 249 HB ILE 34 HB ILE 34 -4.102 -6.745 3.330 250 HG12 ILE 34 HG12 ILE 34 -4.563 -4.581 5.358 251 HG13 ILE 34 HG13 ILE 34 -5.023 -6.257 5.653 252 HG21 ILE 34 HG21 ILE 34 -2.829 -4.641 3.138 253 HG22 ILE 34 HG22 ILE 34 -4.357 -3.761 3.046 254 HG23 ILE 34 HG23 ILE 34 -3.926 -4.920 1.789 255 HD11 ILE 34 HD11 ILE 34 -2.725 -6.929 5.344 256 HD12 ILE 34 HD12 ILE 34 -2.890 -5.741 6.639 257 HD13 ILE 34 HD13 ILE 34 -2.263 -5.252 5.061 258 H HIS 35 H HIS 35 -7.261 -5.335 5.429 259 HA HIS 35 HA HIS 35 -7.966 -2.590 4.615 260 HB2 HIS 35 HB2 HIS 35 -9.270 -4.276 6.776 261 HB3 HIS 35 HB3 HIS 35 -9.812 -2.707 6.209 262 HD1 HIS 35 HD1 HIS 35 -11.839 -4.956 6.139 263 HD2 HIS 35 HD2 HIS 35 -9.276 -4.144 2.978 264 HE1 HIS 35 HE1 HIS 35 -12.949 -5.915 4.100 265 HE2 HIS 35 HE2 HIS 35 -11.280 -5.587 2.238 266 H PHE 36 H PHE 36 -7.028 -0.994 5.775 267 HA PHE 36 HA PHE 36 -5.868 -1.696 8.372 268 HB2 PHE 36 HB2 PHE 36 -3.799 -0.319 7.660 269 HB3 PHE 36 HB3 PHE 36 -3.933 -1.970 7.074 270 HD1 PHE 36 HD1 PHE 36 -4.392 1.565 6.127 271 HD2 PHE 36 HD2 PHE 36 -4.026 -2.452 4.808 272 HE1 PHE 36 HE1 PHE 36 -4.174 2.349 3.813 273 HE2 PHE 36 HE2 PHE 36 -3.804 -1.679 2.496 274 HZ PHE 36 HZ PHE 36 -3.885 0.728 1.992 275 HH31 ALY 37 HH31 ALY 37 -12.146 4.238 10.528 276 HH32 ALY 37 HH32 ALY 37 -10.482 4.446 9.944 277 HH33 ALY 37 HH33 ALY 37 -11.302 5.750 10.826 278 HZ ALY 37 HZ ALY 37 -11.174 2.246 11.696 279 HE3 ALY 37 HE3 ALY 37 -8.622 2.808 13.028 280 HE2 ALY 37 HE2 ALY 37 -9.925 2.020 13.911 281 HD3 ALY 37 HD3 ALY 37 -8.352 0.366 13.081 282 HD2 ALY 37 HD2 ALY 37 -9.914 0.183 12.281 283 HG3 ALY 37 HG3 ALY 37 -8.131 -0.030 10.652 284 HG2 ALY 37 HG2 ALY 37 -9.040 1.450 10.349 285 HB3 ALY 37 HB3 ALY 37 -7.327 2.749 11.499 286 HB2 ALY 37 HB2 ALY 37 -6.427 1.279 11.837 287 HCA ALY 37 HCA ALY 37 -6.955 2.466 9.103 288 H ALY 37 H ALY 37 -5.616 -0.048 9.809 289 H VAL 38 H VAL 38 -5.403 3.834 8.446 290 HA VAL 38 HA VAL 38 -2.922 3.924 10.015 291 HB VAL 38 HB VAL 38 -1.879 5.029 8.062 292 HG11 VAL 38 HG11 VAL 38 -1.792 3.048 6.603 293 HG12 VAL 38 HG12 VAL 38 -3.162 2.368 7.485 294 HG13 VAL 38 HG13 VAL 38 -1.633 2.646 8.312 295 HG21 VAL 38 HG21 VAL 38 -3.870 6.039 7.077 296 HG22 VAL 38 HG22 VAL 38 -4.500 4.439 6.682 297 HG23 VAL 38 HG23 VAL 38 -3.036 5.029 5.894 298 H LYS 39 H LYS 39 -1.966 6.340 9.320 299 HA LYS 39 HA LYS 39 -3.811 8.108 10.739 300 HB2 LYS 39 HB2 LYS 39 -1.454 7.856 11.562 301 HB3 LYS 39 HB3 LYS 39 -0.896 8.564 10.051 302 HG2 LYS 39 HG2 LYS 39 -2.155 10.615 10.588 303 HG3 LYS 39 HG3 LYS 39 -2.609 9.903 12.132 304 HD2 LYS 39 HD2 LYS 39 0.246 10.325 11.259 305 HD3 LYS 39 HD3 LYS 39 -0.668 11.499 12.202 306 HE2 LYS 39 HE2 LYS 39 0.445 10.366 13.864 307 HE3 LYS 39 HE3 LYS 39 -1.065 9.466 13.800 308 HZ1 LYS 39 HZ1 LYS 39 0.794 7.968 13.892 309 HZ2 LYS 39 HZ2 LYS 39 1.510 8.688 12.548 310 HZ3 LYS 39 HZ3 LYS 39 0.075 7.822 12.369 311 H MET 40 H MET 40 -4.193 10.267 9.909 312 HA MET 40 HA MET 40 -4.895 10.409 7.227 313 HB2 MET 40 HB2 MET 40 -5.711 11.920 9.031 314 HB3 MET 40 HB3 MET 40 -4.154 12.729 9.009 315 HG2 MET 40 HG2 MET 40 -5.713 14.056 7.796 316 HG3 MET 40 HG3 MET 40 -4.573 13.366 6.646 317 HE1 MET 40 HE1 MET 40 -5.334 12.412 4.470 318 HE2 MET 40 HE2 MET 40 -6.643 11.235 4.336 319 HE3 MET 40 HE3 MET 40 -5.265 10.907 5.384 320 H THR 41 H THR 41 -1.908 11.358 8.808 321 HA THR 41 HA THR 41 -0.719 11.616 6.136 322 HB THR 41 HB THR 41 0.850 13.269 7.135 323 HG1 THR 41 HG1 THR 41 0.557 12.551 9.352 324 HG21 THR 41 HG21 THR 41 -2.114 13.812 7.298 325 HG22 THR 41 HG22 THR 41 -1.023 14.183 5.963 326 HG23 THR 41 HG23 THR 41 -0.903 15.083 7.473 327 H THR 42 H THR 42 0.645 9.972 5.782 328 HA THR 42 HA THR 42 2.768 9.308 7.484 329 HB THR 42 HB THR 42 0.821 8.202 8.719 330 HG1 THR 42 HG1 THR 42 3.168 7.475 8.654 331 HG21 THR 42 HG21 THR 42 0.891 6.367 6.318 332 HG22 THR 42 HG22 THR 42 -0.444 7.429 6.772 333 HG23 THR 42 HG23 THR 42 -0.005 6.069 7.809 334 H HIS 43 H HIS 43 3.932 7.288 6.556 335 HA HIS 43 HA HIS 43 3.762 7.452 3.657 336 HB2 HIS 43 HB2 HIS 43 5.744 6.135 5.510 337 HB3 HIS 43 HB3 HIS 43 5.798 5.916 3.767 338 HD1 HIS 43 HD1 HIS 43 7.848 7.484 5.832 339 HD2 HIS 43 HD2 HIS 43 5.353 9.083 2.920 340 HE1 HIS 43 HE1 HIS 43 8.860 9.692 5.220 341 HE2 HIS 43 HE2 HIS 43 7.440 10.547 3.324 342 H LEU 44 H LEU 44 2.909 5.944 2.368 343 HA LEU 44 HA LEU 44 1.266 3.931 3.441 344 HB2 LEU 44 HB2 LEU 44 2.240 4.260 0.612 345 HB3 LEU 44 HB3 LEU 44 0.933 3.206 1.113 346 HG LEU 44 HG LEU 44 0.989 6.214 1.155 347 HD11 LEU 44 HD11 LEU 44 -1.045 5.908 -0.251 348 HD12 LEU 44 HD12 LEU 44 -0.667 4.184 -0.313 349 HD13 LEU 44 HD13 LEU 44 0.461 5.363 -0.983 350 HD21 LEU 44 HD21 LEU 44 -0.077 5.490 3.210 351 HD22 LEU 44 HD22 LEU 44 -1.096 4.365 2.314 352 HD23 LEU 44 HD23 LEU 44 -1.294 6.102 2.089 353 H LYS 45 H LYS 45 4.594 3.852 3.019 354 HA LYS 45 HA LYS 45 5.085 1.208 2.272 355 HB2 LYS 45 HB2 LYS 45 6.756 3.104 2.553 356 HB3 LYS 45 HB3 LYS 45 6.679 2.815 4.278 357 HG2 LYS 45 HG2 LYS 45 7.353 0.567 2.449 358 HG3 LYS 45 HG3 LYS 45 8.583 1.769 2.816 359 HD2 LYS 45 HD2 LYS 45 7.068 0.104 4.826 360 HD3 LYS 45 HD3 LYS 45 8.730 -0.168 4.301 361 HE2 LYS 45 HE2 LYS 45 9.325 2.074 5.173 362 HE3 LYS 45 HE3 LYS 45 7.683 2.246 5.780 363 HZ1 LYS 45 HZ1 LYS 45 8.058 0.249 7.152 364 HZ2 LYS 45 HZ2 LYS 45 9.108 1.515 7.537 365 HZ3 LYS 45 HZ3 LYS 45 9.667 0.212 6.627 366 H LYS 46 H LYS 46 3.951 2.611 5.233 367 HA LYS 46 HA LYS 46 4.421 0.620 7.085 368 HB2 LYS 46 HB2 LYS 46 3.606 2.843 7.638 369 HB3 LYS 46 HB3 LYS 46 2.118 2.549 6.757 370 HG2 LYS 46 HG2 LYS 46 2.827 0.764 8.997 371 HG3 LYS 46 HG3 LYS 46 2.222 2.384 9.361 372 HD2 LYS 46 HD2 LYS 46 0.266 1.817 7.849 373 HD3 LYS 46 HD3 LYS 46 0.861 0.157 7.855 374 HE2 LYS 46 HE2 LYS 46 -0.063 1.788 10.205 375 HE3 LYS 46 HE3 LYS 46 -0.825 0.352 9.524 376 HZ1 LYS 46 HZ1 LYS 46 0.381 -0.212 11.518 377 HZ2 LYS 46 HZ2 LYS 46 1.800 0.459 10.907 378 HZ3 LYS 46 HZ3 LYS 46 1.152 -0.930 10.193 379 H LEU 47 H LEU 47 1.566 1.152 5.070 380 HA LEU 47 HA LEU 47 0.216 -1.172 5.864 381 HB2 LEU 47 HB2 LEU 47 -1.361 -0.734 4.167 382 HB3 LEU 47 HB3 LEU 47 -0.818 0.823 4.755 383 HG LEU 47 HG LEU 47 0.848 0.535 2.668 384 HD11 LEU 47 HD11 LEU 47 -0.068 -1.604 1.980 385 HD12 LEU 47 HD12 LEU 47 -0.381 -0.366 0.763 386 HD13 LEU 47 HD13 LEU 47 -1.673 -0.889 1.844 387 HD21 LEU 47 HD21 LEU 47 -0.744 1.928 1.412 388 HD22 LEU 47 HD22 LEU 47 -0.492 2.450 3.080 389 HD23 LEU 47 HD23 LEU 47 -1.963 1.575 2.644 390 H LYS 48 H LYS 48 2.614 -0.595 3.357 391 HA LYS 48 HA LYS 48 2.302 -2.931 1.845 392 HB2 LYS 48 HB2 LYS 48 4.545 -1.089 2.406 393 HB3 LYS 48 HB3 LYS 48 4.991 -2.695 1.860 394 HG2 LYS 48 HG2 LYS 48 4.907 -1.378 -0.051 395 HG3 LYS 48 HG3 LYS 48 3.415 -2.319 -0.080 396 HD2 LYS 48 HD2 LYS 48 2.131 -0.460 0.577 397 HD3 LYS 48 HD3 LYS 48 3.566 0.469 1.032 398 HE2 LYS 48 HE2 LYS 48 2.478 -0.156 -1.674 399 HE3 LYS 48 HE3 LYS 48 3.054 1.379 -1.025 400 HZ1 LYS 48 HZ1 LYS 48 4.701 -0.937 -1.904 401 HZ2 LYS 48 HZ2 LYS 48 5.340 0.336 -1.018 402 HZ3 LYS 48 HZ3 LYS 48 4.698 0.621 -2.561 403 H GLU 49 H GLU 49 4.345 -2.346 4.692 404 HA GLU 49 HA GLU 49 5.296 -4.917 5.029 405 HB2 GLU 49 HB2 GLU 49 4.577 -2.973 7.214 406 HB3 GLU 49 HB3 GLU 49 5.712 -4.315 7.332 407 HG2 GLU 49 HG2 GLU 49 7.029 -3.229 5.529 408 HG3 GLU 49 HG3 GLU 49 5.974 -1.833 5.665 409 H SER 50 H SER 50 2.410 -3.427 6.433 410 HA SER 50 HA SER 50 1.505 -5.648 7.862 411 HB2 SER 50 HB2 SER 50 -0.157 -3.505 6.515 412 HB3 SER 50 HB3 SER 50 -0.716 -4.586 7.791 413 HG SER 50 HG SER 50 1.586 -3.329 8.490 414 H TYR 51 H TYR 51 1.186 -4.847 4.455 415 HA TYR 51 HA TYR 51 -0.725 -6.883 3.834 416 HB2 TYR 51 HB2 TYR 51 -0.163 -4.790 2.452 417 HB3 TYR 51 HB3 TYR 51 1.257 -5.665 1.901 418 HD1 TYR 51 HD1 TYR 51 0.555 -8.212 1.080 419 HD2 TYR 51 HD2 TYR 51 -1.920 -4.765 0.980 420 HE1 TYR 51 HE1 TYR 51 -0.790 -9.241 -0.708 421 HE2 TYR 51 HE2 TYR 51 -3.269 -5.791 -0.818 422 HH TYR 51 HH TYR 51 -3.055 -9.060 -1.631 423 H CYS 52 H CYS 52 2.779 -6.621 3.349 424 HA CYS 52 HA CYS 52 3.150 -9.225 2.349 425 HB2 CYS 52 HB2 CYS 52 4.791 -7.387 2.112 426 HB3 CYS 52 HB3 CYS 52 5.152 -7.494 3.826 427 HG CYS 52 HG CYS 52 5.779 -9.848 1.440 428 H GLN 53 H GLN 53 2.991 -7.977 5.602 429 HA GLN 53 HA GLN 53 3.942 -10.332 6.899 430 HB2 GLN 53 HB2 GLN 53 2.404 -7.928 7.850 431 HB3 GLN 53 HB3 GLN 53 2.877 -9.237 8.922 432 HG2 GLN 53 HG2 GLN 53 4.872 -7.799 7.227 433 HG3 GLN 53 HG3 GLN 53 4.409 -7.172 8.805 434 HE21 GLN 53 HE21 GLN 53 6.087 -9.632 7.062 435 HE22 GLN 53 HE22 GLN 53 6.867 -10.371 8.413 436 H ARG 54 H ARG 54 0.804 -9.226 5.838 437 HA ARG 54 HA ARG 54 -0.586 -11.279 7.348 438 HB2 ARG 54 HB2 ARG 54 -1.494 -9.000 7.049 439 HB3 ARG 54 HB3 ARG 54 -1.676 -9.346 5.335 440 HG2 ARG 54 HG2 ARG 54 -3.226 -11.138 5.837 441 HG3 ARG 54 HG3 ARG 54 -3.017 -10.848 7.567 442 HD2 ARG 54 HD2 ARG 54 -3.779 -8.543 7.210 443 HD3 ARG 54 HD3 ARG 54 -4.135 -8.949 5.532 444 HE ARG 54 HE ARG 54 -5.569 -9.873 7.911 445 HH11 ARG 54 HH11 ARG 54 -5.273 -9.938 4.389 446 HH12 ARG 54 HH12 ARG 54 -6.884 -10.507 4.154 447 HH21 ARG 54 HH21 ARG 54 -7.698 -10.610 7.568 448 HH22 ARG 54 HH22 ARG 54 -8.266 -10.897 5.958 449 H GLN 55 H GLN 55 -0.160 -10.417 3.924 450 HA GLN 55 HA GLN 55 -1.384 -12.912 3.112 451 HB2 GLN 55 HB2 GLN 55 -0.408 -10.489 1.638 452 HB3 GLN 55 HB3 GLN 55 -0.797 -11.967 0.771 453 HG2 GLN 55 HG2 GLN 55 -2.711 -10.590 0.658 454 HG3 GLN 55 HG3 GLN 55 -3.081 -11.862 1.813 455 HE21 GLN 55 HE21 GLN 55 -1.079 -9.037 2.492 456 HE22 GLN 55 HE22 GLN 55 -2.188 -8.323 3.610 457 H GLY 56 H GLY 56 1.752 -11.827 3.797 458 HA2 GLY 56 HA2 GLY 56 3.804 -12.826 3.621 459 HA3 GLY 56 HA3 GLY 56 2.937 -14.330 3.359 460 H VAL 57 H VAL 57 2.934 -11.438 1.320 461 HA VAL 57 HA VAL 57 4.203 -13.038 -0.801 462 HB VAL 57 HB VAL 57 2.834 -11.644 -2.431 463 HG11 VAL 57 HG11 VAL 57 2.288 -13.973 -1.945 464 HG12 VAL 57 HG12 VAL 57 0.822 -13.022 -2.183 465 HG13 VAL 57 HG13 VAL 57 1.328 -13.465 -0.554 466 HG21 VAL 57 HG21 VAL 57 1.270 -11.002 0.068 467 HG22 VAL 57 HG22 VAL 57 0.768 -10.634 -1.583 468 HG23 VAL 57 HG23 VAL 57 2.196 -9.854 -0.898 469 HA PRO 58 HA PRO 58 7.256 -9.894 -1.265 470 HB2 PRO 58 HB2 PRO 58 7.570 -9.831 -3.986 471 HB3 PRO 58 HB3 PRO 58 8.223 -11.110 -2.955 472 HG2 PRO 58 HG2 PRO 58 5.721 -11.078 -4.595 473 HG3 PRO 58 HG3 PRO 58 6.920 -12.373 -4.407 474 HD2 PRO 58 HD2 PRO 58 4.586 -12.406 -3.096 475 HD3 PRO 58 HD3 PRO 58 6.079 -13.024 -2.358 476 H MET 59 H MET 59 6.524 -7.894 -0.713 477 HA MET 59 HA MET 59 4.459 -6.565 -2.141 478 HB2 MET 59 HB2 MET 59 5.850 -6.233 0.345 479 HB3 MET 59 HB3 MET 59 5.697 -4.695 -0.489 480 HG2 MET 59 HG2 MET 59 3.848 -5.141 1.080 481 HG3 MET 59 HG3 MET 59 3.299 -4.917 -0.577 482 HE1 MET 59 HE1 MET 59 3.106 -7.810 -2.103 483 HE2 MET 59 HE2 MET 59 2.096 -6.380 -1.893 484 HE3 MET 59 HE3 MET 59 1.464 -7.969 -1.479 485 H ASN 60 H ASN 60 7.730 -6.786 -2.845 486 HA ASN 60 HA ASN 60 7.736 -4.118 -4.059 487 HB2 ASN 60 HB2 ASN 60 10.014 -6.085 -3.707 488 HB3 ASN 60 HB3 ASN 60 10.151 -4.559 -4.561 489 HD21 ASN 60 HD21 ASN 60 8.230 -5.010 -1.679 490 HD22 ASN 60 HD22 ASN 60 9.201 -4.045 -0.631 491 H SER 61 H SER 61 7.784 -7.518 -4.931 492 HA SER 61 HA SER 61 8.347 -7.370 -7.612 493 HB2 SER 61 HB2 SER 61 6.339 -9.178 -6.261 494 HB3 SER 61 HB3 SER 61 7.010 -9.437 -7.873 495 HG SER 61 HG SER 61 9.123 -9.196 -6.595 496 H LEU 62 H LEU 62 5.446 -6.409 -6.004 497 HA LEU 62 HA LEU 62 4.371 -5.520 -8.564 498 HB2 LEU 62 HB2 LEU 62 2.111 -5.519 -7.252 499 HB3 LEU 62 HB3 LEU 62 2.710 -6.998 -7.944 500 HG LEU 62 HG LEU 62 1.658 -7.179 -5.672 501 HD11 LEU 62 HD11 LEU 62 2.972 -8.961 -6.556 502 HD12 LEU 62 HD12 LEU 62 3.312 -8.778 -4.834 503 HD13 LEU 62 HD13 LEU 62 4.460 -8.179 -6.033 504 HD21 LEU 62 HD21 LEU 62 2.625 -5.174 -4.675 505 HD22 LEU 62 HD22 LEU 62 4.229 -5.896 -4.758 506 HD23 LEU 62 HD23 LEU 62 2.993 -6.614 -3.731 507 H ARG 63 H ARG 63 2.998 -3.538 -8.349 508 HA ARG 63 HA ARG 63 4.143 -1.820 -6.264 509 HB2 ARG 63 HB2 ARG 63 4.055 0.094 -7.771 510 HB3 ARG 63 HB3 ARG 63 5.076 -1.175 -8.423 511 HG2 ARG 63 HG2 ARG 63 2.226 -0.991 -9.288 512 HG3 ARG 63 HG3 ARG 63 3.418 0.127 -9.958 513 HD2 ARG 63 HD2 ARG 63 4.791 -2.000 -10.450 514 HD3 ARG 63 HD3 ARG 63 3.269 -2.853 -10.174 515 HE ARG 63 HE ARG 63 2.312 -1.641 -12.027 516 HH11 ARG 63 HH11 ARG 63 5.824 -1.476 -11.778 517 HH12 ARG 63 HH12 ARG 63 6.036 -0.966 -13.417 518 HH21 ARG 63 HH21 ARG 63 2.621 -0.951 -14.193 519 HH22 ARG 63 HH22 ARG 63 4.224 -0.663 -14.780 520 H PHE 64 H PHE 64 2.786 0.198 -5.895 521 HA PHE 64 HA PHE 64 0.008 -0.706 -5.687 522 HB2 PHE 64 HB2 PHE 64 1.701 0.913 -3.786 523 HB3 PHE 64 HB3 PHE 64 -0.053 0.883 -3.674 524 HD1 PHE 64 HD1 PHE 64 2.654 -1.680 -4.108 525 HD2 PHE 64 HD2 PHE 64 -0.840 -0.464 -2.001 526 HE1 PHE 64 HE1 PHE 64 2.786 -3.711 -2.728 527 HE2 PHE 64 HE2 PHE 64 -0.712 -2.495 -0.618 528 HZ PHE 64 HZ PHE 64 1.099 -4.120 -0.980 529 H LEU 65 H LEU 65 -1.208 0.325 -7.049 530 HA LEU 65 HA LEU 65 -0.646 3.169 -7.585 531 HB2 LEU 65 HB2 LEU 65 -2.054 1.276 -9.434 532 HB3 LEU 65 HB3 LEU 65 -1.542 2.906 -9.782 533 HG LEU 65 HG LEU 65 0.281 0.531 -9.377 534 HD11 LEU 65 HD11 LEU 65 -0.861 0.494 -11.515 535 HD12 LEU 65 HD12 LEU 65 0.846 0.880 -11.730 536 HD13 LEU 65 HD13 LEU 65 -0.366 2.157 -11.827 537 HD21 LEU 65 HD21 LEU 65 2.088 2.064 -10.007 538 HD22 LEU 65 HD22 LEU 65 1.308 2.546 -8.499 539 HD23 LEU 65 HD23 LEU 65 0.944 3.407 -9.996 540 H PHE 66 H PHE 66 -2.139 4.516 -7.098 541 HA PHE 66 HA PHE 66 -4.759 3.508 -6.259 542 HB2 PHE 66 HB2 PHE 66 -3.805 4.896 -4.586 543 HB3 PHE 66 HB3 PHE 66 -3.324 6.120 -5.744 544 HD1 PHE 66 HD1 PHE 66 -6.611 4.434 -5.425 545 HD2 PHE 66 HD2 PHE 66 -4.390 8.025 -4.946 546 HE1 PHE 66 HE1 PHE 66 -8.683 5.648 -4.998 547 HE2 PHE 66 HE2 PHE 66 -6.473 9.256 -4.500 548 HZ PHE 66 HZ PHE 66 -8.628 8.065 -4.525 549 H GLU 67 H GLU 67 -6.006 3.296 -7.989 550 HA GLU 67 HA GLU 67 -7.056 3.687 -9.963 551 HB2 GLU 67 HB2 GLU 67 -8.370 5.700 -10.046 552 HB3 GLU 67 HB3 GLU 67 -8.258 5.201 -8.374 553 HG2 GLU 67 HG2 GLU 67 -6.723 6.938 -7.865 554 HG3 GLU 67 HG3 GLU 67 -6.495 7.310 -9.572 555 H GLY 68 H GLY 68 -4.168 3.960 -10.088 556 HA2 GLY 68 HA2 GLY 68 -3.000 4.267 -12.177 557 HA3 GLY 68 HA3 GLY 68 -4.006 5.675 -12.472 558 H GLN 69 H GLN 69 -3.222 5.924 -9.308 559 HA GLN 69 HA GLN 69 -1.134 7.873 -9.802 560 HB2 GLN 69 HB2 GLN 69 -2.546 6.961 -7.290 561 HB3 GLN 69 HB3 GLN 69 -1.318 8.219 -7.294 562 HG2 GLN 69 HG2 GLN 69 -3.866 8.343 -8.895 563 HG3 GLN 69 HG3 GLN 69 -3.700 8.999 -7.269 564 HE21 GLN 69 HE21 GLN 69 -1.015 9.944 -7.631 565 HE22 GLN 69 HE22 GLN 69 -1.106 11.318 -8.665 566 H ARG 70 H ARG 70 0.987 7.745 -8.976 567 HA ARG 70 HA ARG 70 1.955 5.008 -8.728 568 HB2 ARG 70 HB2 ARG 70 2.978 6.536 -10.377 569 HB3 ARG 70 HB3 ARG 70 3.463 7.606 -9.073 570 HG2 ARG 70 HG2 ARG 70 5.372 6.364 -9.689 571 HG3 ARG 70 HG3 ARG 70 4.814 5.705 -8.152 572 HD2 ARG 70 HD2 ARG 70 3.781 3.834 -9.271 573 HD3 ARG 70 HD3 ARG 70 4.147 4.531 -10.847 574 HE ARG 70 HE ARG 70 6.414 3.943 -9.110 575 HH11 ARG 70 HH11 ARG 70 4.434 2.951 -11.838 576 HH12 ARG 70 HH12 ARG 70 5.623 1.871 -12.470 577 HH21 ARG 70 HH21 ARG 70 7.989 2.491 -9.949 578 HH22 ARG 70 HH22 ARG 70 7.654 1.590 -11.389 579 H ILE 71 H ILE 71 2.073 4.218 -6.699 580 HA ILE 71 HA ILE 71 3.059 6.035 -4.601 581 HB ILE 71 HB ILE 71 1.270 3.605 -4.323 582 HG12 ILE 71 HG12 ILE 71 -0.180 5.343 -3.096 583 HG13 ILE 71 HG13 ILE 71 0.856 6.556 -3.834 584 HG21 ILE 71 HG21 ILE 71 1.357 3.899 -1.928 585 HG22 ILE 71 HG22 ILE 71 2.443 5.278 -2.106 586 HG23 ILE 71 HG23 ILE 71 2.989 3.664 -2.557 587 HD11 ILE 71 HD11 ILE 71 -0.843 4.548 -5.300 588 HD12 ILE 71 HD12 ILE 71 0.193 5.763 -6.047 589 HD13 ILE 71 HD13 ILE 71 -1.198 6.261 -5.087 590 H ALA 72 H ALA 72 5.229 5.677 -4.502 591 HA ALA 72 HA ALA 72 6.061 2.863 -4.347 592 HB1 ALA 72 HB1 ALA 72 7.039 4.087 -6.226 593 HB2 ALA 72 HB2 ALA 72 8.270 3.573 -5.071 594 HB3 ALA 72 HB3 ALA 72 7.736 5.255 -5.103 595 H ASP 73 H ASP 73 5.324 2.999 -2.135 596 HA ASP 73 HA ASP 73 5.609 3.098 0.118 597 HB2 ASP 73 HB2 ASP 73 8.455 2.667 -0.780 598 HB3 ASP 73 HB3 ASP 73 7.888 2.439 0.876 599 H ASN 74 H ASN 74 5.799 5.763 -1.203 600 HA ASN 74 HA ASN 74 7.057 7.139 1.049 601 HB2 ASN 74 HB2 ASN 74 8.219 8.706 -0.336 602 HB3 ASN 74 HB3 ASN 74 8.674 7.086 -0.849 603 HD21 ASN 74 HD21 ASN 74 8.674 9.680 -2.221 604 HD22 ASN 74 HD22 ASN 74 7.762 9.426 -3.662 605 H HIS 75 H HIS 75 4.643 6.966 -1.385 606 HA HIS 75 HA HIS 75 3.699 9.605 -1.162 607 HB2 HIS 75 HB2 HIS 75 3.119 7.357 -2.752 608 HB3 HIS 75 HB3 HIS 75 1.616 7.792 -1.941 609 HD1 HIS 75 HD1 HIS 75 3.413 8.509 -4.925 610 HD2 HIS 75 HD2 HIS 75 1.176 10.780 -2.251 611 HE1 HIS 75 HE1 HIS 75 2.785 10.588 -6.159 612 HE2 HIS 75 HE2 HIS 75 1.266 11.842 -4.604 613 H THR 76 H THR 76 1.818 10.328 -0.177 614 HA THR 76 HA THR 76 1.081 8.817 2.234 615 HB THR 76 HB THR 76 0.544 11.015 3.251 616 HG1 THR 76 HG1 THR 76 1.863 12.233 1.058 617 HG21 THR 76 HG21 THR 76 2.776 10.055 3.584 618 HG22 THR 76 HG22 THR 76 2.845 11.818 3.517 619 HG23 THR 76 HG23 THR 76 3.340 10.860 2.119 620 HA PRO 77 HA PRO 77 -3.105 8.656 0.850 621 HB2 PRO 77 HB2 PRO 77 -4.473 9.041 3.200 622 HB3 PRO 77 HB3 PRO 77 -3.695 7.517 2.764 623 HG2 PRO 77 HG2 PRO 77 -2.710 9.704 4.548 624 HG3 PRO 77 HG3 PRO 77 -2.609 7.948 4.768 625 HD2 PRO 77 HD2 PRO 77 -0.512 9.409 3.926 626 HD3 PRO 77 HD3 PRO 77 -0.790 7.752 3.357 627 H LYS 78 H LYS 78 -2.016 11.374 2.669 628 HA LYS 78 HA LYS 78 -4.349 12.986 2.199 629 HB2 LYS 78 HB2 LYS 78 -3.050 14.751 3.312 630 HB3 LYS 78 HB3 LYS 78 -3.065 13.261 4.246 631 HG2 LYS 78 HG2 LYS 78 -0.849 13.354 4.330 632 HG3 LYS 78 HG3 LYS 78 -0.822 13.097 2.590 633 HD2 LYS 78 HD2 LYS 78 -1.145 15.583 2.331 634 HD3 LYS 78 HD3 LYS 78 -0.828 15.709 4.064 635 HE2 LYS 78 HE2 LYS 78 1.344 14.687 3.765 636 HE3 LYS 78 HE3 LYS 78 1.028 14.467 2.047 637 HZ1 LYS 78 HZ1 LYS 78 1.329 17.046 3.482 638 HZ2 LYS 78 HZ2 LYS 78 0.825 16.909 1.877 639 HZ3 LYS 78 HZ3 LYS 78 2.369 16.391 2.317 640 H GLU 79 H GLU 79 -1.235 12.460 0.724 641 HA GLU 79 HA GLU 79 -1.314 14.846 -0.891 642 HB2 GLU 79 HB2 GLU 79 0.790 13.784 -0.112 643 HB3 GLU 79 HB3 GLU 79 0.429 12.396 -1.124 644 HG2 GLU 79 HG2 GLU 79 1.980 13.684 -2.324 645 HG3 GLU 79 HG3 GLU 79 0.419 13.998 -3.078 646 H LEU 80 H LEU 80 -2.251 11.531 -1.126 647 HA LEU 80 HA LEU 80 -2.529 11.470 -3.978 648 HB2 LEU 80 HB2 LEU 80 -3.554 9.667 -1.807 649 HB3 LEU 80 HB3 LEU 80 -3.722 9.345 -3.521 650 HG LEU 80 HG LEU 80 -1.038 9.726 -2.231 651 HD11 LEU 80 HD11 LEU 80 -2.520 7.148 -2.674 652 HD12 LEU 80 HD12 LEU 80 -2.259 7.929 -1.110 653 HD13 LEU 80 HD13 LEU 80 -0.879 7.335 -2.041 654 HD21 LEU 80 HD21 LEU 80 -1.944 8.377 -4.774 655 HD22 LEU 80 HD22 LEU 80 -0.283 8.471 -4.187 656 HD23 LEU 80 HD23 LEU 80 -1.133 9.939 -4.659 657 H GLY 81 H GLY 81 -4.392 12.786 -1.463 658 HA2 GLY 81 HA2 GLY 81 -6.384 13.940 -1.660 659 HA3 GLY 81 HA3 GLY 81 -6.466 13.431 -3.343 660 H MET 82 H MET 82 -6.019 10.994 -0.883 661 HA MET 82 HA MET 82 -8.692 10.070 -1.615 662 HB2 MET 82 HB2 MET 82 -8.007 7.812 -1.184 663 HB3 MET 82 HB3 MET 82 -6.851 8.551 -2.273 664 HG2 MET 82 HG2 MET 82 -5.330 8.885 -0.345 665 HG3 MET 82 HG3 MET 82 -6.484 8.003 0.660 666 HE1 MET 82 HE1 MET 82 -3.948 5.141 0.388 667 HE2 MET 82 HE2 MET 82 -4.916 6.190 1.423 668 HE3 MET 82 HE3 MET 82 -3.512 6.836 0.575 669 H GLU 83 H GLU 83 -9.673 8.614 0.162 670 HA GLU 83 HA GLU 83 -9.308 9.946 2.763 671 HB2 GLU 83 HB2 GLU 83 -11.857 9.659 1.193 672 HB3 GLU 83 HB3 GLU 83 -11.855 9.952 2.924 673 HG2 GLU 83 HG2 GLU 83 -10.860 12.037 2.682 674 HG3 GLU 83 HG3 GLU 83 -10.411 11.730 1.003 675 H GLU 84 H GLU 84 -11.338 8.758 4.142 676 HA GLU 84 HA GLU 84 -10.303 6.169 4.612 677 HB2 GLU 84 HB2 GLU 84 -12.133 5.936 6.239 678 HB3 GLU 84 HB3 GLU 84 -11.303 7.472 6.415 679 HG2 GLU 84 HG2 GLU 84 -13.117 8.565 5.169 680 HG3 GLU 84 HG3 GLU 84 -13.960 7.018 5.104 681 H GLU 85 H GLU 85 -11.429 4.134 4.445 682 HA GLU 85 HA GLU 85 -12.434 2.505 3.294 683 HB2 GLU 85 HB2 GLU 85 -14.455 3.833 4.112 684 HB3 GLU 85 HB3 GLU 85 -14.534 4.528 2.501 685 HG2 GLU 85 HG2 GLU 85 -16.096 2.662 2.797 686 HG3 GLU 85 HG3 GLU 85 -14.906 2.348 1.534 687 H ASP 86 H ASP 86 -10.492 4.338 1.939 688 HA ASP 86 HA ASP 86 -11.413 4.376 -0.803 689 HB2 ASP 86 HB2 ASP 86 -9.594 5.857 0.649 690 HB3 ASP 86 HB3 ASP 86 -8.585 4.871 -0.402 691 H VAL 87 H VAL 87 -9.973 3.441 -2.518 692 HA VAL 87 HA VAL 87 -8.885 0.883 -1.588 693 HB VAL 87 HB VAL 87 -11.038 0.468 -2.643 694 HG11 VAL 87 HG11 VAL 87 -11.179 2.423 -4.073 695 HG12 VAL 87 HG12 VAL 87 -11.430 0.952 -5.010 696 HG13 VAL 87 HG13 VAL 87 -9.883 1.795 -5.090 697 HG21 VAL 87 HG21 VAL 87 -9.338 -1.234 -2.920 698 HG22 VAL 87 HG22 VAL 87 -8.707 -0.415 -4.347 699 HG23 VAL 87 HG23 VAL 87 -10.314 -1.136 -4.385 700 H ILE 88 H ILE 88 -7.076 0.147 -2.464 701 HA ILE 88 HA ILE 88 -5.717 1.811 -4.495 702 HB ILE 88 HB ILE 88 -4.328 0.151 -2.382 703 HG12 ILE 88 HG12 ILE 88 -5.563 2.056 -1.348 704 HG13 ILE 88 HG13 ILE 88 -3.817 2.207 -1.188 705 HG21 ILE 88 HG21 ILE 88 -2.321 1.325 -3.083 706 HG22 ILE 88 HG22 ILE 88 -3.262 2.252 -4.253 707 HG23 ILE 88 HG23 ILE 88 -3.086 0.511 -4.454 708 HD11 ILE 88 HD11 ILE 88 -5.511 3.629 -3.225 709 HD12 ILE 88 HD12 ILE 88 -3.772 3.813 -2.987 710 HD13 ILE 88 HD13 ILE 88 -4.893 4.327 -1.727 711 H GLU 89 H GLU 89 -4.576 0.667 -6.115 712 HA GLU 89 HA GLU 89 -5.349 -2.159 -6.297 713 HB2 GLU 89 HB2 GLU 89 -4.736 -0.348 -8.614 714 HB3 GLU 89 HB3 GLU 89 -5.589 -1.888 -8.629 715 HG2 GLU 89 HG2 GLU 89 -7.370 -0.795 -7.242 716 HG3 GLU 89 HG3 GLU 89 -6.549 0.727 -7.522 717 H VAL 90 H VAL 90 -3.775 -3.610 -6.463 718 HA VAL 90 HA VAL 90 -1.034 -2.614 -6.768 719 HB VAL 90 HB VAL 90 -1.991 -5.201 -5.533 720 HG11 VAL 90 HG11 VAL 90 0.318 -5.423 -4.755 721 HG12 VAL 90 HG12 VAL 90 0.755 -3.994 -5.696 722 HG13 VAL 90 HG13 VAL 90 0.194 -5.452 -6.513 723 HG21 VAL 90 HG21 VAL 90 -2.587 -3.266 -4.192 724 HG22 VAL 90 HG22 VAL 90 -0.917 -2.697 -4.268 725 HG23 VAL 90 HG23 VAL 90 -1.301 -4.194 -3.417 726 H TYR 91 H TYR 91 0.040 -3.072 -8.546 727 HA TYR 91 HA TYR 91 -0.942 -5.256 -10.267 728 HB2 TYR 91 HB2 TYR 91 0.421 -2.680 -11.050 729 HB3 TYR 91 HB3 TYR 91 -0.021 -3.963 -12.167 730 HD1 TYR 91 HD1 TYR 91 -1.284 -1.274 -10.019 731 HD2 TYR 91 HD2 TYR 91 -2.314 -4.271 -12.851 732 HE1 TYR 91 HE1 TYR 91 -3.474 -0.223 -10.317 733 HE2 TYR 91 HE2 TYR 91 -4.519 -3.231 -13.155 734 HH TYR 91 HH TYR 91 -6.046 -1.751 -11.886 735 H GLN 92 H GLN 92 0.453 -6.805 -10.843 736 HA GLN 92 HA GLN 92 3.097 -6.836 -9.679 737 HB2 GLN 92 HB2 GLN 92 1.377 -8.805 -10.036 738 HB3 GLN 92 HB3 GLN 92 2.128 -8.905 -11.620 739 HG2 GLN 92 HG2 GLN 92 3.598 -9.117 -8.994 740 HG3 GLN 92 HG3 GLN 92 3.062 -10.486 -9.962 741 HE21 GLN 92 HE21 GLN 92 5.725 -9.679 -9.123 742 HE22 GLN 92 HE22 GLN 92 6.655 -9.480 -10.565 743 H GLU 93 H GLU 93 4.834 -5.998 -10.608 744 HA GLU 93 HA GLU 93 5.707 -6.475 -13.179 745 HB2 GLU 93 HB2 GLU 93 3.726 -5.185 -13.927 746 HB3 GLU 93 HB3 GLU 93 4.276 -3.808 -12.989 747 HG2 GLU 93 HG2 GLU 93 4.761 -3.530 -15.353 748 HG3 GLU 93 HG3 GLU 93 6.239 -3.608 -14.396 749 H GLN 94 H GLN 94 7.623 -5.385 -13.665 750 HA GLN 94 HA GLN 94 9.597 -4.348 -13.294 751 HB2 GLN 94 HB2 GLN 94 8.037 -2.390 -12.947 752 HB3 GLN 94 HB3 GLN 94 8.200 -2.691 -11.226 753 HG2 GLN 94 HG2 GLN 94 10.631 -2.347 -11.434 754 HG3 GLN 94 HG3 GLN 94 10.395 -1.951 -13.136 755 HE21 GLN 94 HE21 GLN 94 11.476 -0.323 -10.995 756 HE22 GLN 94 HE22 GLN 94 10.491 1.098 -10.916 757 H THR 95 H THR 95 9.766 -6.572 -12.306 758 HA THR 95 HA THR 95 11.048 -6.246 -9.688 759 HB THR 95 HB THR 95 8.772 -7.194 -9.357 760 HG1 THR 95 HG1 THR 95 11.117 -8.618 -8.696 761 HG21 THR 95 HG21 THR 95 9.863 -9.494 -10.973 762 HG22 THR 95 HG22 THR 95 8.522 -8.432 -11.409 763 HG23 THR 95 HG23 THR 95 8.365 -9.535 -10.041 764 H GLY 96 H GLY 96 11.649 -6.802 -12.717 765 HA2 GLY 96 HA2 GLY 96 13.070 -9.340 -12.506 766 HA3 GLY 96 HA3 GLY 96 12.873 -8.374 -13.960 767 H GLY 97 H GLY 97 13.729 -6.073 -11.974 768 HA2 GLY 97 HA2 GLY 97 16.334 -6.404 -11.187 769 HA3 GLY 97 HA3 GLY 97 16.414 -6.014 -12.901 Start of MODEL 16 1 H MET 1 H MET 1 27.776 32.267 0.935 2 HA MET 1 HA MET 1 26.088 33.888 0.485 3 HB2 MET 1 HB2 MET 1 26.775 33.258 -2.389 4 HB3 MET 1 HB3 MET 1 25.279 34.047 -1.914 5 HG2 MET 1 HG2 MET 1 28.050 35.102 -1.396 6 HG3 MET 1 HG3 MET 1 26.979 35.629 -2.689 7 HE1 MET 1 HE1 MET 1 24.127 35.653 -1.226 8 HE2 MET 1 HE2 MET 1 24.703 36.932 -2.295 9 HE3 MET 1 HE3 MET 1 24.064 37.336 -0.703 10 H SER 2 H SER 2 24.949 32.410 1.635 11 HA SER 2 HA SER 2 23.643 30.314 0.053 12 HB2 SER 2 HB2 SER 2 23.471 29.106 2.323 13 HB3 SER 2 HB3 SER 2 25.048 29.129 1.535 14 HG SER 2 HG SER 2 24.212 30.331 3.887 15 H ASP 3 H ASP 3 21.484 29.719 0.867 16 HA ASP 3 HA ASP 3 19.941 32.095 1.457 17 HB2 ASP 3 HB2 ASP 3 19.291 29.291 0.658 18 HB3 ASP 3 HB3 ASP 3 18.037 30.272 1.405 19 H GLN 4 H GLN 4 21.722 30.930 3.629 20 HA GLN 4 HA GLN 4 20.099 31.256 5.788 21 HB2 GLN 4 HB2 GLN 4 19.957 29.004 6.718 22 HB3 GLN 4 HB3 GLN 4 19.124 29.046 5.175 23 HG2 GLN 4 HG2 GLN 4 21.943 28.041 5.471 24 HG3 GLN 4 HG3 GLN 4 20.535 27.003 5.674 25 HE21 GLN 4 HE21 GLN 4 19.206 26.611 3.863 26 HE22 GLN 4 HE22 GLN 4 19.807 26.792 2.253 27 H GLU 5 H GLU 5 21.388 30.923 7.763 28 HA GLU 5 HA GLU 5 24.186 31.370 7.186 29 HB2 GLU 5 HB2 GLU 5 23.000 32.750 8.860 30 HB3 GLU 5 HB3 GLU 5 22.730 31.316 9.837 31 HG2 GLU 5 HG2 GLU 5 24.568 32.703 10.680 32 HG3 GLU 5 HG3 GLU 5 25.097 31.083 10.231 33 H ALA 6 H ALA 6 25.904 30.180 8.266 34 HA ALA 6 HA ALA 6 25.205 27.346 8.446 35 HB1 ALA 6 HB1 ALA 6 27.558 26.906 7.994 36 HB2 ALA 6 HB2 ALA 6 27.895 28.636 8.001 37 HB3 ALA 6 HB3 ALA 6 26.872 27.942 6.743 38 H LYS 7 H LYS 7 24.433 27.534 10.569 39 HA LYS 7 HA LYS 7 26.529 27.496 12.567 40 HB2 LYS 7 HB2 LYS 7 25.059 28.996 14.043 41 HB3 LYS 7 HB3 LYS 7 25.959 29.768 12.751 42 HG2 LYS 7 HG2 LYS 7 23.877 30.792 12.643 43 HG3 LYS 7 HG3 LYS 7 23.790 29.567 11.383 44 HD2 LYS 7 HD2 LYS 7 21.728 29.490 12.563 45 HD3 LYS 7 HD3 LYS 7 22.653 28.074 13.064 46 HE2 LYS 7 HE2 LYS 7 21.608 29.095 14.997 47 HE3 LYS 7 HE3 LYS 7 23.354 29.279 15.101 48 HZ1 LYS 7 HZ1 LYS 7 22.198 31.319 15.696 49 HZ2 LYS 7 HZ2 LYS 7 21.456 31.365 14.184 50 HZ3 LYS 7 HZ3 LYS 7 23.129 31.554 14.303 51 HA PRO 8 HA PRO 8 24.051 24.253 14.340 52 HB2 PRO 8 HB2 PRO 8 24.449 24.624 17.008 53 HB3 PRO 8 HB3 PRO 8 25.702 23.987 15.941 54 HG2 PRO 8 HG2 PRO 8 25.311 26.784 16.941 55 HG3 PRO 8 HG3 PRO 8 26.803 25.828 16.857 56 HD2 PRO 8 HD2 PRO 8 26.210 27.689 15.017 57 HD3 PRO 8 HD3 PRO 8 27.054 26.188 14.588 58 H SER 9 H SER 9 22.699 24.360 16.860 59 HA SER 9 HA SER 9 20.729 24.970 17.801 60 HB2 SER 9 HB2 SER 9 21.265 27.699 16.611 61 HB3 SER 9 HB3 SER 9 20.216 27.332 17.980 62 HG SER 9 HG SER 9 22.311 26.359 18.845 63 H THR 10 H THR 10 20.056 23.484 15.870 64 HA THR 10 HA THR 10 18.695 24.723 13.691 65 HB THR 10 HB THR 10 18.456 21.873 14.662 66 HG1 THR 10 HG1 THR 10 20.515 23.211 13.276 67 HG21 THR 10 HG21 THR 10 18.220 23.066 11.895 68 HG22 THR 10 HG22 THR 10 16.858 22.602 12.915 69 HG23 THR 10 HG23 THR 10 17.980 21.373 12.327 70 H GLU 11 H GLU 11 16.617 25.410 13.660 71 HA GLU 11 HA GLU 11 15.006 25.118 15.984 72 HB2 GLU 11 HB2 GLU 11 13.207 26.115 14.278 73 HB3 GLU 11 HB3 GLU 11 14.411 27.107 15.075 74 HG2 GLU 11 HG2 GLU 11 14.347 27.778 12.821 75 HG3 GLU 11 HG3 GLU 11 15.831 26.862 13.015 76 H ASP 12 H ASP 12 12.908 24.154 16.090 77 HA ASP 12 HA ASP 12 13.032 21.550 14.803 78 HB2 ASP 12 HB2 ASP 12 11.528 22.518 17.229 79 HB3 ASP 12 HB3 ASP 12 11.303 20.916 16.540 80 H LEU 13 H LEU 13 10.728 20.578 14.807 81 HA LEU 13 HA LEU 13 9.191 22.189 12.872 82 HB2 LEU 13 HB2 LEU 13 9.239 19.198 13.259 83 HB3 LEU 13 HB3 LEU 13 8.229 20.038 12.098 84 HG LEU 13 HG LEU 13 11.239 20.069 12.087 85 HD11 LEU 13 HD11 LEU 13 10.369 17.841 11.590 86 HD12 LEU 13 HD12 LEU 13 11.075 18.588 10.157 87 HD13 LEU 13 HD13 LEU 13 9.324 18.526 10.346 88 HD21 LEU 13 HD21 LEU 13 10.967 21.023 9.837 89 HD22 LEU 13 HD22 LEU 13 10.287 22.062 11.087 90 HD23 LEU 13 HD23 LEU 13 9.222 21.076 10.085 91 H GLY 14 H GLY 14 6.839 22.006 12.890 92 HA2 GLY 14 HA2 GLY 14 5.746 21.267 15.517 93 HA3 GLY 14 HA3 GLY 14 5.424 22.860 14.848 94 H ASP 15 H ASP 15 5.656 20.109 12.744 95 HA ASP 15 HA ASP 15 2.891 20.465 11.960 96 HB2 ASP 15 HB2 ASP 15 4.780 20.128 10.319 97 HB3 ASP 15 HB3 ASP 15 4.898 18.474 10.904 98 H LYS 16 H LYS 16 4.601 18.622 14.155 99 HA LYS 16 HA LYS 16 2.964 16.256 14.059 100 HB2 LYS 16 HB2 LYS 16 5.045 17.222 16.011 101 HB3 LYS 16 HB3 LYS 16 4.197 15.693 16.170 102 HG2 LYS 16 HG2 LYS 16 5.880 16.443 13.795 103 HG3 LYS 16 HG3 LYS 16 6.472 15.537 15.184 104 HD2 LYS 16 HD2 LYS 16 4.551 13.914 14.718 105 HD3 LYS 16 HD3 LYS 16 4.414 14.723 13.155 106 HE2 LYS 16 HE2 LYS 16 5.810 12.758 12.936 107 HE3 LYS 16 HE3 LYS 16 6.788 14.208 12.716 108 HZ1 LYS 16 HZ1 LYS 16 7.532 13.991 15.029 109 HZ2 LYS 16 HZ2 LYS 16 7.926 12.625 14.126 110 HZ3 LYS 16 HZ3 LYS 16 6.621 12.577 15.198 111 H LYS 17 H LYS 17 1.028 16.122 14.935 112 HA LYS 17 HA LYS 17 0.456 17.104 17.535 113 HB2 LYS 17 HB2 LYS 17 -1.277 18.664 17.073 114 HB3 LYS 17 HB3 LYS 17 0.071 19.156 16.064 115 HG2 LYS 17 HG2 LYS 17 -2.223 17.480 15.079 116 HG3 LYS 17 HG3 LYS 17 -2.175 19.239 14.973 117 HD2 LYS 17 HD2 LYS 17 -0.379 19.207 13.475 118 HD3 LYS 17 HD3 LYS 17 0.023 17.534 13.877 119 HE2 LYS 17 HE2 LYS 17 -1.900 16.720 12.790 120 HE3 LYS 17 HE3 LYS 17 -2.547 18.345 12.565 121 HZ1 LYS 17 HZ1 LYS 17 -0.038 17.355 11.308 122 HZ2 LYS 17 HZ2 LYS 17 -0.804 18.832 11.014 123 HZ3 LYS 17 HZ3 LYS 17 -1.538 17.396 10.535 124 H GLU 18 H GLU 18 -2.116 16.755 17.808 125 HA GLU 18 HA GLU 18 -2.467 13.982 17.418 126 HB2 GLU 18 HB2 GLU 18 -4.749 14.330 18.286 127 HB3 GLU 18 HB3 GLU 18 -3.523 15.070 19.301 128 HG2 GLU 18 HG2 GLU 18 -4.076 17.246 18.488 129 HG3 GLU 18 HG3 GLU 18 -5.150 16.568 17.265 130 H GLY 19 H GLY 19 -3.694 12.851 16.007 131 HA2 GLY 19 HA2 GLY 19 -5.131 14.329 13.930 132 HA3 GLY 19 HA3 GLY 19 -3.834 13.249 13.432 133 H GLU 20 H GLU 20 -6.418 12.942 12.577 134 HA GLU 20 HA GLU 20 -7.460 10.718 14.136 135 HB2 GLU 20 HB2 GLU 20 -8.678 12.145 11.766 136 HB3 GLU 20 HB3 GLU 20 -9.442 10.855 12.685 137 HG2 GLU 20 HG2 GLU 20 -9.205 12.351 14.713 138 HG3 GLU 20 HG3 GLU 20 -8.795 13.643 13.586 139 H TYR 21 H TYR 21 -8.007 8.756 13.057 140 HA TYR 21 HA TYR 21 -6.123 8.200 10.890 141 HB2 TYR 21 HB2 TYR 21 -7.125 6.297 13.023 142 HB3 TYR 21 HB3 TYR 21 -5.948 5.937 11.762 143 HD1 TYR 21 HD1 TYR 21 -6.440 8.403 14.557 144 HD2 TYR 21 HD2 TYR 21 -3.672 6.006 12.368 145 HE1 TYR 21 HE1 TYR 21 -4.646 9.076 16.081 146 HE2 TYR 21 HE2 TYR 21 -1.880 6.693 13.894 147 HH TYR 21 HH TYR 21 -2.494 8.292 16.843 148 H ILE 22 H ILE 22 -6.850 7.104 9.104 149 HA ILE 22 HA ILE 22 -9.744 6.660 8.996 150 HB ILE 22 HB ILE 22 -9.458 6.950 6.545 151 HG12 ILE 22 HG12 ILE 22 -6.836 8.277 7.066 152 HG13 ILE 22 HG13 ILE 22 -6.884 6.530 6.852 153 HG21 ILE 22 HG21 ILE 22 -8.662 9.300 8.260 154 HG22 ILE 22 HG22 ILE 22 -10.308 8.771 7.909 155 HG23 ILE 22 HG23 ILE 22 -9.290 9.401 6.615 156 HD11 ILE 22 HD11 ILE 22 -7.892 8.573 4.902 157 HD12 ILE 22 HD12 ILE 22 -7.937 6.817 4.697 158 HD13 ILE 22 HD13 ILE 22 -6.386 7.659 4.780 159 H LYS 23 H LYS 23 -10.401 4.958 7.537 160 HA LYS 23 HA LYS 23 -8.498 2.718 7.545 161 HB2 LYS 23 HB2 LYS 23 -10.449 1.260 7.447 162 HB3 LYS 23 HB3 LYS 23 -10.565 2.344 8.829 163 HG2 LYS 23 HG2 LYS 23 -12.207 3.673 7.776 164 HG3 LYS 23 HG3 LYS 23 -11.904 2.927 6.206 165 HD2 LYS 23 HD2 LYS 23 -12.699 0.770 7.167 166 HD3 LYS 23 HD3 LYS 23 -13.152 1.653 8.626 167 HE2 LYS 23 HE2 LYS 23 -14.163 2.293 5.866 168 HE3 LYS 23 HE3 LYS 23 -15.022 1.279 7.024 169 HZ1 LYS 23 HZ1 LYS 23 -15.900 3.459 7.161 170 HZ2 LYS 23 HZ2 LYS 23 -14.378 4.173 7.305 171 HZ3 LYS 23 HZ3 LYS 23 -14.989 3.217 8.562 172 H LEU 24 H LEU 24 -8.144 1.585 5.667 173 HA LEU 24 HA LEU 24 -9.629 2.353 3.301 174 HB2 LEU 24 HB2 LEU 24 -6.619 2.243 3.186 175 HB3 LEU 24 HB3 LEU 24 -7.731 2.787 1.961 176 HG LEU 24 HG LEU 24 -8.308 4.626 3.747 177 HD11 LEU 24 HD11 LEU 24 -5.476 3.892 4.469 178 HD12 LEU 24 HD12 LEU 24 -6.890 3.663 5.496 179 HD13 LEU 24 HD13 LEU 24 -6.378 5.292 5.052 180 HD21 LEU 24 HD21 LEU 24 -7.443 5.042 1.525 181 HD22 LEU 24 HD22 LEU 24 -5.819 4.620 2.065 182 HD23 LEU 24 HD23 LEU 24 -6.621 6.054 2.712 183 H LYS 25 H LYS 25 -8.572 0.897 1.400 184 HA LYS 25 HA LYS 25 -7.978 -1.765 2.387 185 HB2 LYS 25 HB2 LYS 25 -10.357 -1.807 2.553 186 HB3 LYS 25 HB3 LYS 25 -10.552 -1.014 1.019 187 HG2 LYS 25 HG2 LYS 25 -9.260 -3.701 1.095 188 HG3 LYS 25 HG3 LYS 25 -11.004 -3.583 1.310 189 HD2 LYS 25 HD2 LYS 25 -9.382 -2.640 -1.053 190 HD3 LYS 25 HD3 LYS 25 -10.540 -3.970 -1.014 191 HE2 LYS 25 HE2 LYS 25 -11.146 -1.042 -0.652 192 HE3 LYS 25 HE3 LYS 25 -11.530 -2.018 -2.064 193 HZ1 LYS 25 HZ1 LYS 25 -13.450 -1.696 -0.649 194 HZ2 LYS 25 HZ2 LYS 25 -12.655 -2.398 0.662 195 HZ3 LYS 25 HZ3 LYS 25 -13.029 -3.331 -0.700 196 H VAL 26 H VAL 26 -6.994 -3.062 0.828 197 HA VAL 26 HA VAL 26 -6.718 -1.901 -1.850 198 HB VAL 26 HB VAL 26 -4.360 -2.012 -1.939 199 HG11 VAL 26 HG11 VAL 26 -3.559 -0.587 -0.179 200 HG12 VAL 26 HG12 VAL 26 -4.915 -1.045 0.849 201 HG13 VAL 26 HG13 VAL 26 -5.201 -0.107 -0.612 202 HG21 VAL 26 HG21 VAL 26 -4.071 -4.178 -0.882 203 HG22 VAL 26 HG22 VAL 26 -4.371 -3.453 0.697 204 HG23 VAL 26 HG23 VAL 26 -2.939 -2.997 -0.226 205 H ILE 27 H ILE 27 -6.573 -3.363 -3.490 206 HA ILE 27 HA ILE 27 -6.435 -6.212 -2.743 207 HB ILE 27 HB ILE 27 -8.163 -4.973 -4.893 208 HG12 ILE 27 HG12 ILE 27 -9.146 -6.366 -2.431 209 HG13 ILE 27 HG13 ILE 27 -8.788 -4.643 -2.410 210 HG21 ILE 27 HG21 ILE 27 -7.399 -7.213 -5.475 211 HG22 ILE 27 HG22 ILE 27 -9.124 -7.227 -5.104 212 HG23 ILE 27 HG23 ILE 27 -7.962 -7.823 -3.918 213 HD11 ILE 27 HD11 ILE 27 -11.160 -5.096 -2.782 214 HD12 ILE 27 HD12 ILE 27 -10.754 -5.995 -4.247 215 HD13 ILE 27 HD13 ILE 27 -10.421 -4.263 -4.148 216 H GLY 28 H GLY 28 -5.121 -7.406 -3.959 217 HA2 GLY 28 HA2 GLY 28 -3.764 -5.998 -6.154 218 HA3 GLY 28 HA3 GLY 28 -2.997 -7.220 -5.141 219 H GLN 29 H GLN 29 -2.719 -7.545 -7.709 220 HA GLN 29 HA GLN 29 -4.749 -8.987 -9.066 221 HB2 GLN 29 HB2 GLN 29 -3.207 -9.234 -10.771 222 HB3 GLN 29 HB3 GLN 29 -2.516 -7.859 -9.926 223 HG2 GLN 29 HG2 GLN 29 -1.640 -10.734 -9.649 224 HG3 GLN 29 HG3 GLN 29 -0.816 -9.491 -10.577 225 HE21 GLN 29 HE21 GLN 29 -1.157 -7.400 -8.575 226 HE22 GLN 29 HE22 GLN 29 -0.114 -7.817 -7.260 227 H ASP 30 H ASP 30 -2.997 -9.749 -6.411 228 HA ASP 30 HA ASP 30 -2.526 -12.554 -6.843 229 HB2 ASP 30 HB2 ASP 30 -1.054 -11.083 -5.451 230 HB3 ASP 30 HB3 ASP 30 -2.384 -10.875 -4.325 231 H SER 31 H SER 31 -5.216 -10.742 -6.298 232 HA SER 31 HA SER 31 -7.374 -11.213 -5.772 233 HB2 SER 31 HB2 SER 31 -6.402 -14.047 -5.276 234 HB3 SER 31 HB3 SER 31 -8.091 -13.546 -5.353 235 HG SER 31 HG SER 31 -7.747 -14.161 -7.366 236 H SER 32 H SER 32 -4.964 -10.926 -3.796 237 HA SER 32 HA SER 32 -6.390 -11.573 -1.345 238 HB2 SER 32 HB2 SER 32 -3.514 -10.784 -1.860 239 HB3 SER 32 HB3 SER 32 -4.192 -11.089 -0.256 240 HG SER 32 HG SER 32 -3.290 -12.846 -2.111 241 H GLU 33 H GLU 33 -6.506 -9.937 0.330 242 HA GLU 33 HA GLU 33 -6.232 -7.187 -0.562 243 HB2 GLU 33 HB2 GLU 33 -8.512 -6.595 -0.073 244 HB3 GLU 33 HB3 GLU 33 -8.532 -7.935 -1.205 245 HG2 GLU 33 HG2 GLU 33 -8.991 -8.164 1.769 246 HG3 GLU 33 HG3 GLU 33 -10.250 -8.134 0.539 247 H ILE 34 H ILE 34 -6.339 -5.670 1.214 248 HA ILE 34 HA ILE 34 -6.431 -6.847 3.880 249 HB ILE 34 HB ILE 34 -4.045 -6.884 3.205 250 HG12 ILE 34 HG12 ILE 34 -4.424 -4.780 5.309 251 HG13 ILE 34 HG13 ILE 34 -4.903 -6.454 5.588 252 HG21 ILE 34 HG21 ILE 34 -2.842 -4.719 3.060 253 HG22 ILE 34 HG22 ILE 34 -4.408 -3.906 2.992 254 HG23 ILE 34 HG23 ILE 34 -3.937 -5.032 1.717 255 HD11 ILE 34 HD11 ILE 34 -2.629 -7.154 5.176 256 HD12 ILE 34 HD12 ILE 34 -2.720 -5.986 6.496 257 HD13 ILE 34 HD13 ILE 34 -2.153 -5.480 4.901 258 H HIS 35 H HIS 35 -7.091 -5.446 5.470 259 HA HIS 35 HA HIS 35 -7.897 -2.748 4.592 260 HB2 HIS 35 HB2 HIS 35 -9.100 -4.533 6.731 261 HB3 HIS 35 HB3 HIS 35 -9.551 -2.859 6.481 262 HD1 HIS 35 HD1 HIS 35 -11.999 -3.774 6.105 263 HD2 HIS 35 HD2 HIS 35 -9.233 -4.897 3.220 264 HE1 HIS 35 HE1 HIS 35 -13.350 -4.638 4.183 265 HE2 HIS 35 HE2 HIS 35 -11.642 -5.637 2.642 266 H PHE 36 H PHE 36 -7.228 -1.046 5.860 267 HA PHE 36 HA PHE 36 -5.926 -1.618 8.393 268 HB2 PHE 36 HB2 PHE 36 -3.909 -0.202 7.633 269 HB3 PHE 36 HB3 PHE 36 -3.977 -1.873 7.096 270 HD1 PHE 36 HD1 PHE 36 -4.686 1.611 6.016 271 HD2 PHE 36 HD2 PHE 36 -3.905 -2.404 4.851 272 HE1 PHE 36 HE1 PHE 36 -4.455 2.336 3.682 273 HE2 PHE 36 HE2 PHE 36 -3.674 -1.686 2.520 274 HZ PHE 36 HZ PHE 36 -3.953 0.690 1.930 275 HH31 ALY 37 HH31 ALY 37 -8.363 0.975 16.401 276 HH32 ALY 37 HH32 ALY 37 -8.750 -0.492 17.321 277 HH33 ALY 37 HH33 ALY 37 -9.804 0.052 15.999 278 HZ ALY 37 HZ ALY 37 -8.526 0.335 13.879 279 HE3 ALY 37 HE3 ALY 37 -5.958 -0.658 13.516 280 HE2 ALY 37 HE2 ALY 37 -7.079 -1.914 12.991 281 HD3 ALY 37 HD3 ALY 37 -6.418 -0.529 11.106 282 HD2 ALY 37 HD2 ALY 37 -8.133 -0.308 11.457 283 HG3 ALY 37 HG3 ALY 37 -7.463 1.717 12.822 284 HG2 ALY 37 HG2 ALY 37 -5.855 1.544 12.121 285 HB3 ALY 37 HB3 ALY 37 -8.309 1.731 10.403 286 HB2 ALY 37 HB2 ALY 37 -7.526 3.164 11.031 287 HCA ALY 37 HCA ALY 37 -6.883 2.619 8.683 288 H ALY 37 H ALY 37 -5.525 0.234 9.666 289 H VAL 38 H VAL 38 -5.394 3.934 8.121 290 HA VAL 38 HA VAL 38 -2.978 4.191 9.759 291 HB VAL 38 HB VAL 38 -1.932 5.257 7.827 292 HG11 VAL 38 HG11 VAL 38 -3.300 2.675 7.092 293 HG12 VAL 38 HG12 VAL 38 -1.801 2.838 8.004 294 HG13 VAL 38 HG13 VAL 38 -1.862 3.337 6.313 295 HG21 VAL 38 HG21 VAL 38 -3.890 6.366 6.879 296 HG22 VAL 38 HG22 VAL 38 -4.562 4.805 6.414 297 HG23 VAL 38 HG23 VAL 38 -3.079 5.385 5.659 298 H LYS 39 H LYS 39 -2.144 6.655 9.162 299 HA LYS 39 HA LYS 39 -4.210 8.260 10.480 300 HB2 LYS 39 HB2 LYS 39 -2.010 8.045 11.631 301 HB3 LYS 39 HB3 LYS 39 -1.247 8.818 10.249 302 HG2 LYS 39 HG2 LYS 39 -2.121 10.894 10.757 303 HG3 LYS 39 HG3 LYS 39 -3.453 10.221 11.698 304 HD2 LYS 39 HD2 LYS 39 -1.777 11.305 13.132 305 HD3 LYS 39 HD3 LYS 39 -1.910 9.582 13.466 306 HE2 LYS 39 HE2 LYS 39 0.410 10.184 13.456 307 HE3 LYS 39 HE3 LYS 39 0.065 9.197 12.035 308 HZ1 LYS 39 HZ1 LYS 39 1.495 11.218 11.657 309 HZ2 LYS 39 HZ2 LYS 39 0.122 12.166 11.929 310 HZ3 LYS 39 HZ3 LYS 39 0.164 11.082 10.635 311 H MET 40 H MET 40 -4.536 10.479 9.770 312 HA MET 40 HA MET 40 -5.033 10.856 7.103 313 HB2 MET 40 HB2 MET 40 -5.841 12.345 8.892 314 HB3 MET 40 HB3 MET 40 -4.219 12.980 9.093 315 HG2 MET 40 HG2 MET 40 -5.413 14.590 7.856 316 HG3 MET 40 HG3 MET 40 -4.349 13.786 6.711 317 HE1 MET 40 HE1 MET 40 -5.124 12.916 4.485 318 HE2 MET 40 HE2 MET 40 -6.654 12.079 4.228 319 HE3 MET 40 HE3 MET 40 -5.474 11.423 5.357 320 H THR 41 H THR 41 -2.041 11.456 8.831 321 HA THR 41 HA THR 41 -0.728 11.718 6.243 322 HB THR 41 HB THR 41 0.846 13.330 7.272 323 HG1 THR 41 HG1 THR 41 0.050 14.262 9.337 324 HG21 THR 41 HG21 THR 41 -1.199 14.076 6.061 325 HG22 THR 41 HG22 THR 41 -0.674 15.223 7.296 326 HG23 THR 41 HG23 THR 41 -2.042 14.151 7.603 327 H THR 42 H THR 42 0.630 10.067 5.960 328 HA THR 42 HA THR 42 2.632 9.373 7.784 329 HB THR 42 HB THR 42 0.655 8.243 8.919 330 HG1 THR 42 HG1 THR 42 2.640 7.392 9.399 331 HG21 THR 42 HG21 THR 42 -0.573 7.547 6.923 332 HG22 THR 42 HG22 THR 42 -0.165 6.146 7.915 333 HG23 THR 42 HG23 THR 42 0.764 6.492 6.456 334 H HIS 43 H HIS 43 3.645 7.148 6.969 335 HA HIS 43 HA HIS 43 3.770 7.420 4.056 336 HB2 HIS 43 HB2 HIS 43 5.655 6.098 6.012 337 HB3 HIS 43 HB3 HIS 43 5.863 6.045 4.266 338 HD1 HIS 43 HD1 HIS 43 6.989 7.881 7.088 339 HD2 HIS 43 HD2 HIS 43 5.920 8.884 3.201 340 HE1 HIS 43 HE1 HIS 43 8.040 10.114 6.653 341 HE2 HIS 43 HE2 HIS 43 7.134 10.813 4.421 342 H LEU 44 H LEU 44 2.866 5.975 2.775 343 HA LEU 44 HA LEU 44 1.276 3.881 3.778 344 HB2 LEU 44 HB2 LEU 44 2.214 4.359 0.959 345 HB3 LEU 44 HB3 LEU 44 0.926 3.267 1.422 346 HG LEU 44 HG LEU 44 0.934 6.272 1.638 347 HD11 LEU 44 HD11 LEU 44 -0.676 4.324 0.011 348 HD12 LEU 44 HD12 LEU 44 0.489 5.514 -0.574 349 HD13 LEU 44 HD13 LEU 44 -1.031 6.047 0.143 350 HD21 LEU 44 HD21 LEU 44 -0.166 5.382 3.611 351 HD22 LEU 44 HD22 LEU 44 -1.134 4.299 2.612 352 HD23 LEU 44 HD23 LEU 44 -1.371 6.043 2.504 353 H LYS 45 H LYS 45 4.590 3.895 3.290 354 HA LYS 45 HA LYS 45 5.130 1.332 2.355 355 HB2 LYS 45 HB2 LYS 45 6.763 3.223 2.706 356 HB3 LYS 45 HB3 LYS 45 6.717 2.866 4.419 357 HG2 LYS 45 HG2 LYS 45 7.397 0.683 2.524 358 HG3 LYS 45 HG3 LYS 45 8.611 1.908 2.857 359 HD2 LYS 45 HD2 LYS 45 7.218 0.169 4.897 360 HD3 LYS 45 HD3 LYS 45 8.874 -0.031 4.320 361 HE2 LYS 45 HE2 LYS 45 9.407 2.217 5.214 362 HE3 LYS 45 HE3 LYS 45 7.776 2.319 5.867 363 HZ1 LYS 45 HZ1 LYS 45 9.881 0.383 6.635 364 HZ2 LYS 45 HZ2 LYS 45 8.283 0.265 7.152 365 HZ3 LYS 45 HZ3 LYS 45 9.221 1.606 7.596 366 H LYS 46 H LYS 46 4.040 2.441 5.483 367 HA LYS 46 HA LYS 46 4.704 0.128 6.957 368 HB2 LYS 46 HB2 LYS 46 3.131 0.944 8.645 369 HB3 LYS 46 HB3 LYS 46 4.165 2.239 8.074 370 HG2 LYS 46 HG2 LYS 46 2.132 3.307 8.126 371 HG3 LYS 46 HG3 LYS 46 2.155 2.719 6.465 372 HD2 LYS 46 HD2 LYS 46 -0.001 2.227 7.268 373 HD3 LYS 46 HD3 LYS 46 0.872 0.700 7.298 374 HE2 LYS 46 HE2 LYS 46 0.566 2.484 9.709 375 HE3 LYS 46 HE3 LYS 46 -0.568 1.200 9.309 376 HZ1 LYS 46 HZ1 LYS 46 2.288 0.931 10.070 377 HZ2 LYS 46 HZ2 LYS 46 1.419 -0.334 9.369 378 HZ3 LYS 46 HZ3 LYS 46 0.930 0.300 10.848 379 H LEU 47 H LEU 47 1.937 0.939 4.924 380 HA LEU 47 HA LEU 47 0.402 -1.297 5.811 381 HB2 LEU 47 HB2 LEU 47 -1.228 -0.709 4.242 382 HB3 LEU 47 HB3 LEU 47 -0.547 0.809 4.773 383 HG LEU 47 HG LEU 47 0.937 0.477 2.597 384 HD11 LEU 47 HD11 LEU 47 -0.016 -1.689 2.005 385 HD12 LEU 47 HD12 LEU 47 -0.379 -0.476 0.778 386 HD13 LEU 47 HD13 LEU 47 -1.623 -0.968 1.927 387 HD21 LEU 47 HD21 LEU 47 -1.887 1.486 2.691 388 HD22 LEU 47 HD22 LEU 47 -0.726 1.835 1.402 389 HD23 LEU 47 HD23 LEU 47 -0.413 2.389 3.049 390 H LYS 48 H LYS 48 2.743 -0.658 3.302 391 HA LYS 48 HA LYS 48 2.439 -2.976 1.757 392 HB2 LYS 48 HB2 LYS 48 4.666 -1.110 2.326 393 HB3 LYS 48 HB3 LYS 48 5.121 -2.696 1.733 394 HG2 LYS 48 HG2 LYS 48 5.003 -1.295 -0.129 395 HG3 LYS 48 HG3 LYS 48 3.549 -2.297 -0.190 396 HD2 LYS 48 HD2 LYS 48 2.188 -0.503 0.542 397 HD3 LYS 48 HD3 LYS 48 3.595 0.472 0.996 398 HE2 LYS 48 HE2 LYS 48 2.491 -0.145 -1.707 399 HE3 LYS 48 HE3 LYS 48 3.008 1.403 -1.035 400 HZ1 LYS 48 HZ1 LYS 48 5.338 0.438 -1.071 401 HZ2 LYS 48 HZ2 LYS 48 4.663 0.765 -2.594 402 HZ3 LYS 48 HZ3 LYS 48 4.723 -0.817 -2.020 403 H GLU 49 H GLU 49 4.522 -2.379 4.586 404 HA GLU 49 HA GLU 49 5.499 -4.947 4.889 405 HB2 GLU 49 HB2 GLU 49 4.842 -2.973 7.074 406 HB3 GLU 49 HB3 GLU 49 5.936 -4.347 7.209 407 HG2 GLU 49 HG2 GLU 49 7.272 -3.329 5.377 408 HG3 GLU 49 HG3 GLU 49 6.269 -1.893 5.520 409 H SER 50 H SER 50 2.672 -3.485 6.461 410 HA SER 50 HA SER 50 1.796 -5.709 7.864 411 HB2 SER 50 HB2 SER 50 0.028 -3.639 6.542 412 HB3 SER 50 HB3 SER 50 -0.386 -4.652 7.924 413 HG SER 50 HG SER 50 1.861 -3.415 8.528 414 H TYR 51 H TYR 51 1.428 -4.938 4.479 415 HA TYR 51 HA TYR 51 -0.492 -6.998 3.917 416 HB2 TYR 51 HB2 TYR 51 -0.074 -4.880 2.534 417 HB3 TYR 51 HB3 TYR 51 1.358 -5.687 1.915 418 HD1 TYR 51 HD1 TYR 51 0.613 -8.331 1.249 419 HD2 TYR 51 HD2 TYR 51 -1.765 -4.824 0.981 420 HE1 TYR 51 HE1 TYR 51 -0.733 -9.391 -0.509 421 HE2 TYR 51 HE2 TYR 51 -3.131 -5.886 -0.790 422 HH TYR 51 HH TYR 51 -2.984 -9.186 -1.466 423 H CYS 52 H CYS 52 3.008 -6.626 3.353 424 HA CYS 52 HA CYS 52 3.433 -9.176 2.234 425 HB2 CYS 52 HB2 CYS 52 5.074 -7.437 1.914 426 HB3 CYS 52 HB3 CYS 52 5.344 -7.274 3.632 427 HG CYS 52 HG CYS 52 6.097 -10.127 1.901 428 H GLN 53 H GLN 53 3.456 -8.053 5.548 429 HA GLN 53 HA GLN 53 4.541 -10.427 6.672 430 HB2 GLN 53 HB2 GLN 53 2.915 -8.216 7.924 431 HB3 GLN 53 HB3 GLN 53 3.780 -9.464 8.816 432 HG2 GLN 53 HG2 GLN 53 5.103 -7.587 6.904 433 HG3 GLN 53 HG3 GLN 53 4.932 -7.218 8.620 434 HE21 GLN 53 HE21 GLN 53 6.095 -8.522 10.098 435 HE22 GLN 53 HE22 GLN 53 7.470 -9.441 9.601 436 H ARG 54 H ARG 54 1.247 -9.244 6.164 437 HA ARG 54 HA ARG 54 0.075 -11.407 7.660 438 HB2 ARG 54 HB2 ARG 54 -0.958 -9.228 7.662 439 HB3 ARG 54 HB3 ARG 54 -1.155 -9.303 5.915 440 HG2 ARG 54 HG2 ARG 54 -2.783 -10.998 6.070 441 HG3 ARG 54 HG3 ARG 54 -2.420 -11.288 7.776 442 HD2 ARG 54 HD2 ARG 54 -3.283 -9.165 8.385 443 HD3 ARG 54 HD3 ARG 54 -3.474 -8.692 6.699 444 HE ARG 54 HE ARG 54 -5.080 -10.721 6.675 445 HH11 ARG 54 HH11 ARG 54 -4.661 -8.500 9.370 446 HH12 ARG 54 HH12 ARG 54 -6.282 -8.681 9.933 447 HH21 ARG 54 HH21 ARG 54 -7.244 -10.935 7.409 448 HH22 ARG 54 HH22 ARG 54 -7.762 -10.073 8.816 449 H GLN 55 H GLN 55 0.230 -10.510 4.223 450 HA GLN 55 HA GLN 55 -1.151 -12.955 3.504 451 HB2 GLN 55 HB2 GLN 55 -0.264 -10.532 2.002 452 HB3 GLN 55 HB3 GLN 55 -0.651 -12.002 1.119 453 HG2 GLN 55 HG2 GLN 55 -2.594 -10.653 1.117 454 HG3 GLN 55 HG3 GLN 55 -2.892 -11.977 2.238 455 HE21 GLN 55 HE21 GLN 55 -0.927 -9.153 2.940 456 HE22 GLN 55 HE22 GLN 55 -1.991 -8.486 4.126 457 H GLY 56 H GLY 56 2.017 -11.968 3.993 458 HA2 GLY 56 HA2 GLY 56 4.027 -12.997 3.670 459 HA3 GLY 56 HA3 GLY 56 3.113 -14.484 3.454 460 H VAL 57 H VAL 57 3.168 -11.527 1.503 461 HA VAL 57 HA VAL 57 4.338 -13.074 -0.695 462 HB VAL 57 HB VAL 57 2.885 -11.782 -2.300 463 HG11 VAL 57 HG11 VAL 57 0.883 -13.162 -1.957 464 HG12 VAL 57 HG12 VAL 57 1.457 -13.575 -0.340 465 HG13 VAL 57 HG13 VAL 57 2.371 -14.090 -1.757 466 HG21 VAL 57 HG21 VAL 57 2.265 -9.957 -0.813 467 HG22 VAL 57 HG22 VAL 57 1.359 -11.076 0.204 468 HG23 VAL 57 HG23 VAL 57 0.833 -10.763 -1.451 469 HA PRO 58 HA PRO 58 7.293 -9.836 -0.970 470 HB2 PRO 58 HB2 PRO 58 7.835 -9.945 -3.665 471 HB3 PRO 58 HB3 PRO 58 8.481 -11.081 -2.476 472 HG2 PRO 58 HG2 PRO 58 6.143 -11.387 -4.313 473 HG3 PRO 58 HG3 PRO 58 7.395 -12.568 -3.887 474 HD2 PRO 58 HD2 PRO 58 4.948 -12.642 -2.789 475 HD3 PRO 58 HD3 PRO 58 6.399 -13.081 -1.863 476 H MET 59 H MET 59 6.482 -7.855 -0.635 477 HA MET 59 HA MET 59 4.526 -6.639 -2.285 478 HB2 MET 59 HB2 MET 59 6.123 -5.757 0.071 479 HB3 MET 59 HB3 MET 59 5.226 -4.563 -0.865 480 HG2 MET 59 HG2 MET 59 4.079 -7.009 0.450 481 HG3 MET 59 HG3 MET 59 3.978 -5.363 1.078 482 HE1 MET 59 HE1 MET 59 1.427 -7.340 -2.127 483 HE2 MET 59 HE2 MET 59 1.977 -8.028 -0.605 484 HE3 MET 59 HE3 MET 59 3.131 -7.740 -1.899 485 H ASN 60 H ASN 60 7.769 -6.992 -2.822 486 HA ASN 60 HA ASN 60 8.133 -4.428 -4.155 487 HB2 ASN 60 HB2 ASN 60 9.952 -6.835 -3.918 488 HB3 ASN 60 HB3 ASN 60 10.365 -5.376 -4.806 489 HD21 ASN 60 HD21 ASN 60 8.560 -5.335 -1.816 490 HD22 ASN 60 HD22 ASN 60 9.789 -4.624 -0.841 491 H SER 61 H SER 61 7.612 -7.782 -4.984 492 HA SER 61 HA SER 61 8.002 -7.773 -7.712 493 HB2 SER 61 HB2 SER 61 5.812 -9.285 -6.289 494 HB3 SER 61 HB3 SER 61 6.639 -9.743 -7.778 495 HG SER 61 HG SER 61 8.486 -10.119 -6.644 496 H LEU 62 H LEU 62 5.321 -6.432 -5.930 497 HA LEU 62 HA LEU 62 4.142 -5.629 -8.474 498 HB2 LEU 62 HB2 LEU 62 1.937 -5.512 -7.133 499 HB3 LEU 62 HB3 LEU 62 2.499 -7.047 -7.738 500 HG LEU 62 HG LEU 62 1.473 -7.023 -5.434 501 HD11 LEU 62 HD11 LEU 62 4.214 -8.181 -5.753 502 HD12 LEU 62 HD12 LEU 62 2.679 -8.910 -6.234 503 HD13 LEU 62 HD13 LEU 62 3.036 -8.650 -4.525 504 HD21 LEU 62 HD21 LEU 62 2.882 -6.419 -3.554 505 HD22 LEU 62 HD22 LEU 62 2.542 -5.017 -4.564 506 HD23 LEU 62 HD23 LEU 62 4.116 -5.807 -4.653 507 H ARG 63 H ARG 63 2.650 -3.670 -8.177 508 HA ARG 63 HA ARG 63 3.920 -1.810 -6.290 509 HB2 ARG 63 HB2 ARG 63 3.665 0.019 -7.926 510 HB3 ARG 63 HB3 ARG 63 4.748 -1.239 -8.502 511 HG2 ARG 63 HG2 ARG 63 1.868 -1.266 -9.298 512 HG3 ARG 63 HG3 ARG 63 3.003 -0.182 -10.105 513 HD2 ARG 63 HD2 ARG 63 4.409 -2.079 -10.702 514 HD3 ARG 63 HD3 ARG 63 3.318 -3.162 -9.834 515 HE ARG 63 HE ARG 63 1.982 -3.202 -11.657 516 HH11 ARG 63 HH11 ARG 63 3.952 -0.294 -11.921 517 HH12 ARG 63 HH12 ARG 63 3.384 0.096 -13.507 518 HH21 ARG 63 HH21 ARG 63 1.269 -2.689 -13.778 519 HH22 ARG 63 HH22 ARG 63 1.868 -1.263 -14.554 520 H PHE 64 H PHE 64 2.572 0.150 -5.890 521 HA PHE 64 HA PHE 64 -0.214 -0.711 -5.573 522 HB2 PHE 64 HB2 PHE 64 1.590 0.894 -3.774 523 HB3 PHE 64 HB3 PHE 64 -0.159 0.982 -3.620 524 HD1 PHE 64 HD1 PHE 64 2.434 -1.687 -3.973 525 HD2 PHE 64 HD2 PHE 64 -1.062 -0.315 -1.979 526 HE1 PHE 64 HE1 PHE 64 2.467 -3.685 -2.546 527 HE2 PHE 64 HE2 PHE 64 -1.032 -2.316 -0.551 528 HZ PHE 64 HZ PHE 64 0.728 -4.000 -0.832 529 H LEU 65 H LEU 65 -1.418 0.289 -6.962 530 HA LEU 65 HA LEU 65 -0.835 3.118 -7.564 531 HB2 LEU 65 HB2 LEU 65 -2.278 1.191 -9.347 532 HB3 LEU 65 HB3 LEU 65 -1.760 2.808 -9.746 533 HG LEU 65 HG LEU 65 0.045 0.430 -9.287 534 HD11 LEU 65 HD11 LEU 65 -1.093 0.360 -11.426 535 HD12 LEU 65 HD12 LEU 65 0.619 0.719 -11.645 536 HD13 LEU 65 HD13 LEU 65 -0.577 2.011 -11.774 537 HD21 LEU 65 HD21 LEU 65 1.876 1.924 -9.918 538 HD22 LEU 65 HD22 LEU 65 1.077 2.469 -8.441 539 HD23 LEU 65 HD23 LEU 65 0.751 3.281 -9.974 540 H PHE 66 H PHE 66 -2.282 4.501 -7.114 541 HA PHE 66 HA PHE 66 -4.948 3.586 -6.303 542 HB2 PHE 66 HB2 PHE 66 -3.947 4.855 -4.548 543 HB3 PHE 66 HB3 PHE 66 -3.400 6.099 -5.658 544 HD1 PHE 66 HD1 PHE 66 -6.753 4.514 -5.350 545 HD2 PHE 66 HD2 PHE 66 -4.417 8.045 -4.922 546 HE1 PHE 66 HE1 PHE 66 -8.788 5.798 -4.930 547 HE2 PHE 66 HE2 PHE 66 -6.459 9.344 -4.489 548 HZ PHE 66 HZ PHE 66 -8.651 8.221 -4.490 549 H GLU 67 H GLU 67 -6.182 3.538 -8.048 550 HA GLU 67 HA GLU 67 -7.171 4.097 -10.007 551 HB2 GLU 67 HB2 GLU 67 -8.360 6.196 -9.980 552 HB3 GLU 67 HB3 GLU 67 -8.319 5.557 -8.355 553 HG2 GLU 67 HG2 GLU 67 -6.720 7.159 -7.664 554 HG3 GLU 67 HG3 GLU 67 -6.406 7.648 -9.327 555 H GLY 68 H GLY 68 -4.303 4.163 -10.145 556 HA2 GLY 68 HA2 GLY 68 -3.119 4.502 -12.224 557 HA3 GLY 68 HA3 GLY 68 -4.002 6.008 -12.421 558 H GLN 69 H GLN 69 -3.245 6.097 -9.278 559 HA GLN 69 HA GLN 69 -0.991 7.866 -9.689 560 HB2 GLN 69 HB2 GLN 69 -2.537 7.022 -7.233 561 HB3 GLN 69 HB3 GLN 69 -1.194 8.150 -7.163 562 HG2 GLN 69 HG2 GLN 69 -3.696 8.577 -8.787 563 HG3 GLN 69 HG3 GLN 69 -3.472 9.171 -7.145 564 HE21 GLN 69 HE21 GLN 69 -0.657 9.804 -7.570 565 HE22 GLN 69 HE22 GLN 69 -0.627 11.230 -8.537 566 H ARG 70 H ARG 70 1.080 7.521 -8.951 567 HA ARG 70 HA ARG 70 1.793 4.737 -8.467 568 HB2 ARG 70 HB2 ARG 70 3.148 5.657 -10.156 569 HB3 ARG 70 HB3 ARG 70 3.357 7.170 -9.294 570 HG2 ARG 70 HG2 ARG 70 5.424 5.946 -9.272 571 HG3 ARG 70 HG3 ARG 70 4.771 6.000 -7.637 572 HD2 ARG 70 HD2 ARG 70 5.586 3.799 -7.991 573 HD3 ARG 70 HD3 ARG 70 3.830 3.705 -8.057 574 HE ARG 70 HE ARG 70 4.094 3.711 -10.534 575 HH11 ARG 70 HH11 ARG 70 6.775 2.644 -8.505 576 HH12 ARG 70 HH12 ARG 70 7.440 1.593 -9.702 577 HH21 ARG 70 HH21 ARG 70 4.989 2.335 -12.124 578 HH22 ARG 70 HH22 ARG 70 6.430 1.439 -11.786 579 H ILE 71 H ILE 71 1.983 4.048 -6.465 580 HA ILE 71 HA ILE 71 2.915 5.939 -4.422 581 HB ILE 71 HB ILE 71 1.115 3.526 -4.080 582 HG12 ILE 71 HG12 ILE 71 -0.364 5.344 -2.979 583 HG13 ILE 71 HG13 ILE 71 0.674 6.496 -3.805 584 HG21 ILE 71 HG21 ILE 71 2.244 5.336 -1.944 585 HG22 ILE 71 HG22 ILE 71 2.760 3.682 -2.266 586 HG23 ILE 71 HG23 ILE 71 1.122 3.993 -1.695 587 HD11 ILE 71 HD11 ILE 71 -1.007 4.368 -5.114 588 HD12 ILE 71 HD12 ILE 71 0.036 5.516 -5.954 589 HD13 ILE 71 HD13 ILE 71 -1.364 6.094 -5.053 590 H ALA 72 H ALA 72 5.096 5.542 -4.454 591 HA ALA 72 HA ALA 72 5.869 2.733 -4.115 592 HB1 ALA 72 HB1 ALA 72 8.050 3.308 -4.981 593 HB2 ALA 72 HB2 ALA 72 7.589 5.006 -5.088 594 HB3 ALA 72 HB3 ALA 72 6.797 3.809 -6.114 595 H ASP 73 H ASP 73 5.229 3.037 -1.897 596 HA ASP 73 HA ASP 73 5.665 3.201 0.318 597 HB2 ASP 73 HB2 ASP 73 8.460 2.768 -0.707 598 HB3 ASP 73 HB3 ASP 73 7.940 2.530 0.962 599 H ASN 74 H ASN 74 5.589 5.805 -0.933 600 HA ASN 74 HA ASN 74 6.921 7.216 1.205 601 HB2 ASN 74 HB2 ASN 74 8.212 8.735 -0.099 602 HB3 ASN 74 HB3 ASN 74 8.603 7.126 -0.686 603 HD21 ASN 74 HD21 ASN 74 7.912 6.509 -2.729 604 HD22 ASN 74 HD22 ASN 74 7.364 7.665 -3.893 605 H HIS 75 H HIS 75 4.703 7.168 -1.473 606 HA HIS 75 HA HIS 75 3.612 9.719 -1.241 607 HB2 HIS 75 HB2 HIS 75 3.096 7.416 -2.743 608 HB3 HIS 75 HB3 HIS 75 1.598 7.756 -1.883 609 HD1 HIS 75 HD1 HIS 75 2.842 8.322 -5.028 610 HD2 HIS 75 HD2 HIS 75 1.326 10.885 -2.138 611 HE1 HIS 75 HE1 HIS 75 2.142 10.382 -6.256 612 HE2 HIS 75 HE2 HIS 75 1.630 12.022 -4.435 613 H THR 76 H THR 76 1.800 10.478 -0.169 614 HA THR 76 HA THR 76 1.070 8.960 2.242 615 HB THR 76 HB THR 76 0.630 11.171 3.292 616 HG1 THR 76 HG1 THR 76 2.058 12.401 1.206 617 HG21 THR 76 HG21 THR 76 2.993 11.888 3.494 618 HG22 THR 76 HG22 THR 76 3.400 10.808 2.157 619 HG23 THR 76 HG23 THR 76 2.791 10.143 3.675 620 HA PRO 77 HA PRO 77 -3.169 9.012 0.965 621 HB2 PRO 77 HB2 PRO 77 -4.420 9.654 3.362 622 HB3 PRO 77 HB3 PRO 77 -3.890 8.032 2.910 623 HG2 PRO 77 HG2 PRO 77 -2.556 10.046 4.660 624 HG3 PRO 77 HG3 PRO 77 -2.644 8.284 4.837 625 HD2 PRO 77 HD2 PRO 77 -0.431 9.526 3.946 626 HD3 PRO 77 HD3 PRO 77 -0.915 7.926 3.349 627 H LYS 78 H LYS 78 -1.850 11.756 2.656 628 HA LYS 78 HA LYS 78 -4.066 13.505 2.071 629 HB2 LYS 78 HB2 LYS 78 -2.674 15.272 3.064 630 HB3 LYS 78 HB3 LYS 78 -2.695 13.852 4.087 631 HG2 LYS 78 HG2 LYS 78 -0.502 13.296 3.602 632 HG3 LYS 78 HG3 LYS 78 -0.481 14.254 2.121 633 HD2 LYS 78 HD2 LYS 78 -0.481 16.301 3.396 634 HD3 LYS 78 HD3 LYS 78 -0.652 15.415 4.907 635 HE2 LYS 78 HE2 LYS 78 1.522 14.301 4.424 636 HE3 LYS 78 HE3 LYS 78 1.688 15.343 3.011 637 HZ1 LYS 78 HZ1 LYS 78 1.480 16.275 5.825 638 HZ2 LYS 78 HZ2 LYS 78 1.653 17.261 4.469 639 HZ3 LYS 78 HZ3 LYS 78 2.897 16.213 4.911 640 H GLU 79 H GLU 79 -0.949 12.726 0.692 641 HA GLU 79 HA GLU 79 -0.909 14.954 -1.118 642 HB2 GLU 79 HB2 GLU 79 1.151 13.970 -0.219 643 HB3 GLU 79 HB3 GLU 79 0.762 12.448 -0.999 644 HG2 GLU 79 HG2 GLU 79 1.027 13.410 -3.163 645 HG3 GLU 79 HG3 GLU 79 1.258 15.024 -2.476 646 H LEU 80 H LEU 80 -2.128 11.740 -1.100 647 HA LEU 80 HA LEU 80 -2.336 11.515 -3.972 648 HB2 LEU 80 HB2 LEU 80 -3.392 9.856 -1.705 649 HB3 LEU 80 HB3 LEU 80 -3.648 9.471 -3.396 650 HG LEU 80 HG LEU 80 -0.896 9.783 -2.250 651 HD11 LEU 80 HD11 LEU 80 -2.550 7.283 -2.430 652 HD12 LEU 80 HD12 LEU 80 -2.077 8.121 -0.946 653 HD13 LEU 80 HD13 LEU 80 -0.846 7.379 -1.975 654 HD21 LEU 80 HD21 LEU 80 -1.140 9.860 -4.681 655 HD22 LEU 80 HD22 LEU 80 -1.981 8.309 -4.646 656 HD23 LEU 80 HD23 LEU 80 -0.289 8.409 -4.157 657 H GLY 81 H GLY 81 -4.140 13.003 -1.508 658 HA2 GLY 81 HA2 GLY 81 -6.111 14.192 -1.710 659 HA3 GLY 81 HA3 GLY 81 -6.188 13.690 -3.394 660 H MET 82 H MET 82 -5.844 11.221 -0.971 661 HA MET 82 HA MET 82 -8.555 10.382 -1.686 662 HB2 MET 82 HB2 MET 82 -7.921 8.112 -1.287 663 HB3 MET 82 HB3 MET 82 -6.726 8.840 -2.341 664 HG2 MET 82 HG2 MET 82 -5.264 9.141 -0.350 665 HG3 MET 82 HG3 MET 82 -6.448 8.221 0.586 666 HE1 MET 82 HE1 MET 82 -3.856 5.412 0.306 667 HE2 MET 82 HE2 MET 82 -4.989 6.296 1.328 668 HE3 MET 82 HE3 MET 82 -3.567 7.114 0.674 669 H GLU 83 H GLU 83 -9.456 8.797 0.113 670 HA GLU 83 HA GLU 83 -9.129 10.059 2.739 671 HB2 GLU 83 HB2 GLU 83 -11.668 9.896 1.127 672 HB3 GLU 83 HB3 GLU 83 -11.700 10.075 2.872 673 HG2 GLU 83 HG2 GLU 83 -10.555 12.134 2.758 674 HG3 GLU 83 HG3 GLU 83 -10.288 11.959 1.021 675 H GLU 84 H GLU 84 -11.340 8.742 3.925 676 HA GLU 84 HA GLU 84 -10.197 6.136 4.235 677 HB2 GLU 84 HB2 GLU 84 -11.750 5.794 6.002 678 HB3 GLU 84 HB3 GLU 84 -11.233 7.466 6.105 679 HG2 GLU 84 HG2 GLU 84 -13.281 8.233 5.157 680 HG3 GLU 84 HG3 GLU 84 -13.797 6.577 4.828 681 H GLU 85 H GLU 85 -11.513 4.142 4.122 682 HA GLU 85 HA GLU 85 -12.693 2.600 2.992 683 HB2 GLU 85 HB2 GLU 85 -14.579 4.260 3.564 684 HB3 GLU 85 HB3 GLU 85 -14.453 4.789 1.894 685 HG2 GLU 85 HG2 GLU 85 -16.228 3.213 2.045 686 HG3 GLU 85 HG3 GLU 85 -14.889 2.447 1.189 687 H ASP 86 H ASP 86 -10.559 4.450 1.721 688 HA ASP 86 HA ASP 86 -11.238 4.437 -1.048 689 HB2 ASP 86 HB2 ASP 86 -9.250 5.624 0.603 690 HB3 ASP 86 HB3 ASP 86 -8.459 4.787 -0.726 691 H VAL 87 H VAL 87 -10.018 3.377 -2.689 692 HA VAL 87 HA VAL 87 -9.073 0.754 -1.791 693 HB VAL 87 HB VAL 87 -11.225 0.520 -2.909 694 HG11 VAL 87 HG11 VAL 87 -11.496 1.091 -5.294 695 HG12 VAL 87 HG12 VAL 87 -9.923 1.892 -5.257 696 HG13 VAL 87 HG13 VAL 87 -11.251 2.507 -4.273 697 HG21 VAL 87 HG21 VAL 87 -10.599 -1.087 -4.656 698 HG22 VAL 87 HG22 VAL 87 -9.598 -1.267 -3.215 699 HG23 VAL 87 HG23 VAL 87 -8.952 -0.455 -4.640 700 H ILE 88 H ILE 88 -7.176 0.118 -2.440 701 HA ILE 88 HA ILE 88 -5.782 1.708 -4.494 702 HB ILE 88 HB ILE 88 -4.452 0.016 -2.370 703 HG12 ILE 88 HG12 ILE 88 -5.666 1.917 -1.327 704 HG13 ILE 88 HG13 ILE 88 -3.922 2.077 -1.171 705 HG21 ILE 88 HG21 ILE 88 -3.171 0.366 -4.415 706 HG22 ILE 88 HG22 ILE 88 -2.421 1.176 -3.035 707 HG23 ILE 88 HG23 ILE 88 -3.337 2.111 -4.222 708 HD11 ILE 88 HD11 ILE 88 -5.010 4.196 -1.699 709 HD12 ILE 88 HD12 ILE 88 -5.631 3.502 -3.197 710 HD13 ILE 88 HD13 ILE 88 -3.893 3.695 -2.965 711 H GLU 89 H GLU 89 -4.676 0.595 -6.106 712 HA GLU 89 HA GLU 89 -5.529 -2.198 -6.387 713 HB2 GLU 89 HB2 GLU 89 -4.784 -0.330 -8.621 714 HB3 GLU 89 HB3 GLU 89 -5.688 -1.840 -8.718 715 HG2 GLU 89 HG2 GLU 89 -7.460 -0.721 -7.318 716 HG3 GLU 89 HG3 GLU 89 -6.588 0.780 -7.567 717 H VAL 90 H VAL 90 -3.981 -3.675 -6.424 718 HA VAL 90 HA VAL 90 -1.216 -2.741 -6.702 719 HB VAL 90 HB VAL 90 -2.229 -5.243 -5.344 720 HG11 VAL 90 HG11 VAL 90 0.544 -4.099 -5.531 721 HG12 VAL 90 HG12 VAL 90 -0.032 -5.571 -6.312 722 HG13 VAL 90 HG13 VAL 90 0.065 -5.485 -4.551 723 HG21 VAL 90 HG21 VAL 90 -1.105 -2.697 -4.217 724 HG22 VAL 90 HG22 VAL 90 -1.527 -4.136 -3.288 725 HG23 VAL 90 HG23 VAL 90 -2.787 -3.220 -4.119 726 H TYR 91 H TYR 91 -0.400 -3.069 -8.602 727 HA TYR 91 HA TYR 91 -1.306 -5.355 -10.221 728 HB2 TYR 91 HB2 TYR 91 0.151 -2.829 -11.004 729 HB3 TYR 91 HB3 TYR 91 -0.291 -4.115 -12.114 730 HD1 TYR 91 HD1 TYR 91 -1.560 -1.393 -10.008 731 HD2 TYR 91 HD2 TYR 91 -2.556 -4.351 -12.893 732 HE1 TYR 91 HE1 TYR 91 -3.714 -0.295 -10.375 733 HE2 TYR 91 HE2 TYR 91 -4.726 -3.262 -13.269 734 HH TYR 91 HH TYR 91 -6.269 -1.734 -11.905 735 H GLN 92 H GLN 92 0.132 -6.881 -10.963 736 HA GLN 92 HA GLN 92 2.687 -7.003 -9.605 737 HB2 GLN 92 HB2 GLN 92 1.002 -8.950 -10.146 738 HB3 GLN 92 HB3 GLN 92 1.809 -8.963 -11.704 739 HG2 GLN 92 HG2 GLN 92 3.197 -9.316 -9.052 740 HG3 GLN 92 HG3 GLN 92 2.664 -10.639 -10.082 741 HE21 GLN 92 HE21 GLN 92 5.314 -9.956 -9.152 742 HE22 GLN 92 HE22 GLN 92 6.297 -9.724 -10.554 743 H GLU 93 H GLU 93 4.493 -6.242 -10.407 744 HA GLU 93 HA GLU 93 5.388 -6.541 -13.017 745 HB2 GLU 93 HB2 GLU 93 3.663 -4.886 -13.601 746 HB3 GLU 93 HB3 GLU 93 4.337 -3.758 -12.433 747 HG2 GLU 93 HG2 GLU 93 5.005 -3.180 -14.693 748 HG3 GLU 93 HG3 GLU 93 6.404 -3.657 -13.732 749 H GLN 94 H GLN 94 7.498 -6.227 -13.008 750 HA GLN 94 HA GLN 94 8.794 -5.751 -10.555 751 HB2 GLN 94 HB2 GLN 94 9.731 -7.169 -12.350 752 HB3 GLN 94 HB3 GLN 94 9.980 -5.736 -13.335 753 HG2 GLN 94 HG2 GLN 94 11.606 -4.886 -11.807 754 HG3 GLN 94 HG3 GLN 94 11.252 -6.163 -10.645 755 HE21 GLN 94 HE21 GLN 94 12.783 -5.373 -13.656 756 HE22 GLN 94 HE22 GLN 94 13.710 -6.826 -13.791 757 H THR 95 H THR 95 9.471 -3.941 -9.624 758 HA THR 95 HA THR 95 9.547 -1.474 -11.209 759 HB THR 95 HB THR 95 7.487 -1.547 -9.791 760 HG1 THR 95 HG1 THR 95 9.460 0.325 -8.923 761 HG21 THR 95 HG21 THR 95 9.422 -1.680 -7.469 762 HG22 THR 95 HG22 THR 95 8.336 -2.971 -7.981 763 HG23 THR 95 HG23 THR 95 7.674 -1.465 -7.344 764 H GLY 96 H GLY 96 11.428 -3.499 -10.321 765 HA2 GLY 96 HA2 GLY 96 13.710 -3.449 -9.746 766 HA3 GLY 96 HA3 GLY 96 13.495 -1.779 -9.230 767 H GLY 97 H GLY 97 13.187 -5.134 -8.284 768 HA2 GLY 97 HA2 GLY 97 13.270 -4.274 -5.488 769 HA3 GLY 97 HA3 GLY 97 11.983 -5.361 -5.997 Start of MODEL 17 1 H MET 1 H MET 1 -7.294 23.835 58.133 2 HA MET 1 HA MET 1 -6.013 21.174 57.914 3 HB2 MET 1 HB2 MET 1 -6.954 21.811 60.188 4 HB3 MET 1 HB3 MET 1 -8.532 21.909 59.422 5 HG2 MET 1 HG2 MET 1 -8.262 19.531 58.743 6 HG3 MET 1 HG3 MET 1 -6.789 19.479 59.707 7 HE1 MET 1 HE1 MET 1 -8.209 20.211 63.305 8 HE2 MET 1 HE2 MET 1 -7.706 21.438 62.144 9 HE3 MET 1 HE3 MET 1 -6.755 19.964 62.337 10 H SER 2 H SER 2 -7.484 23.355 56.202 11 HA SER 2 HA SER 2 -9.461 21.554 54.991 12 HB2 SER 2 HB2 SER 2 -10.300 23.770 55.862 13 HB3 SER 2 HB3 SER 2 -9.268 24.565 54.676 14 HG SER 2 HG SER 2 -11.228 24.393 53.716 15 H ASP 3 H ASP 3 -9.668 22.522 52.496 16 HA ASP 3 HA ASP 3 -7.076 21.837 51.394 17 HB2 ASP 3 HB2 ASP 3 -9.166 20.786 50.510 18 HB3 ASP 3 HB3 ASP 3 -9.656 22.368 49.909 19 H GLN 4 H GLN 4 -5.725 23.208 50.474 20 HA GLN 4 HA GLN 4 -6.187 26.021 50.710 21 HB2 GLN 4 HB2 GLN 4 -3.916 26.307 49.998 22 HB3 GLN 4 HB3 GLN 4 -3.958 24.935 51.088 23 HG2 GLN 4 HG2 GLN 4 -3.784 24.808 48.076 24 HG3 GLN 4 HG3 GLN 4 -2.461 24.537 49.205 25 HE21 GLN 4 HE21 GLN 4 -5.303 23.237 47.756 26 HE22 GLN 4 HE22 GLN 4 -5.136 21.622 48.349 27 H GLU 5 H GLU 5 -4.999 27.131 48.529 28 HA GLU 5 HA GLU 5 -7.052 27.388 46.681 29 HB2 GLU 5 HB2 GLU 5 -5.355 28.505 45.261 30 HB3 GLU 5 HB3 GLU 5 -5.389 29.087 46.918 31 HG2 GLU 5 HG2 GLU 5 -3.459 27.616 47.419 32 HG3 GLU 5 HG3 GLU 5 -3.394 27.191 45.710 33 H ALA 6 H ALA 6 -6.733 27.057 44.268 34 HA ALA 6 HA ALA 6 -6.711 24.316 43.693 35 HB1 ALA 6 HB1 ALA 6 -6.445 26.635 41.785 36 HB2 ALA 6 HB2 ALA 6 -7.962 25.957 42.380 37 HB3 ALA 6 HB3 ALA 6 -6.900 24.986 41.359 38 H LYS 7 H LYS 7 -5.293 23.140 42.311 39 HA LYS 7 HA LYS 7 -2.570 23.386 43.004 40 HB2 LYS 7 HB2 LYS 7 -2.211 21.534 41.447 41 HB3 LYS 7 HB3 LYS 7 -3.598 21.228 42.481 42 HG2 LYS 7 HG2 LYS 7 -5.127 21.626 40.739 43 HG3 LYS 7 HG3 LYS 7 -3.897 22.379 39.724 44 HD2 LYS 7 HD2 LYS 7 -3.892 19.475 40.548 45 HD3 LYS 7 HD3 LYS 7 -4.520 20.077 39.016 46 HE2 LYS 7 HE2 LYS 7 -2.291 21.004 38.490 47 HE3 LYS 7 HE3 LYS 7 -1.674 20.336 39.996 48 HZ1 LYS 7 HZ1 LYS 7 -2.840 18.740 37.785 49 HZ2 LYS 7 HZ2 LYS 7 -2.175 18.126 39.208 50 HZ3 LYS 7 HZ3 LYS 7 -1.190 18.920 38.086 51 HA PRO 8 HA PRO 8 -1.087 26.025 39.746 52 HB2 PRO 8 HB2 PRO 8 1.481 25.181 39.567 53 HB3 PRO 8 HB3 PRO 8 0.898 26.128 40.942 54 HG2 PRO 8 HG2 PRO 8 1.310 23.172 40.717 55 HG3 PRO 8 HG3 PRO 8 1.732 24.261 42.052 56 HD2 PRO 8 HD2 PRO 8 -0.487 22.703 42.076 57 HD3 PRO 8 HD3 PRO 8 -0.415 24.284 42.880 58 H SER 9 H SER 9 0.624 25.539 37.764 59 HA SER 9 HA SER 9 0.274 23.047 36.455 60 HB2 SER 9 HB2 SER 9 -2.011 24.196 36.201 61 HB3 SER 9 HB3 SER 9 -1.189 25.365 35.171 62 HG SER 9 HG SER 9 -0.701 22.715 34.519 63 H THR 10 H THR 10 1.299 23.094 34.314 64 HA THR 10 HA THR 10 2.781 25.365 33.455 65 HB THR 10 HB THR 10 4.160 24.752 35.434 66 HG1 THR 10 HG1 THR 10 5.945 24.024 33.497 67 HG21 THR 10 HG21 THR 10 3.743 22.356 35.464 68 HG22 THR 10 HG22 THR 10 5.477 22.665 35.365 69 HG23 THR 10 HG23 THR 10 4.584 22.173 33.926 70 H GLU 11 H GLU 11 1.459 22.399 33.071 71 HA GLU 11 HA GLU 11 2.931 21.824 30.617 72 HB2 GLU 11 HB2 GLU 11 1.945 19.582 30.759 73 HB3 GLU 11 HB3 GLU 11 2.906 19.962 32.181 74 HG2 GLU 11 HG2 GLU 11 -0.103 20.181 32.078 75 HG3 GLU 11 HG3 GLU 11 0.753 18.745 32.627 76 H ASP 12 H ASP 12 1.616 21.035 28.806 77 HA ASP 12 HA ASP 12 -0.799 22.643 28.572 78 HB2 ASP 12 HB2 ASP 12 -0.601 22.388 26.214 79 HB3 ASP 12 HB3 ASP 12 1.028 22.689 26.816 80 H LEU 13 H LEU 13 -2.334 21.253 26.777 81 HA LEU 13 HA LEU 13 -3.703 19.465 28.324 82 HB2 LEU 13 HB2 LEU 13 -3.577 19.603 25.318 83 HB3 LEU 13 HB3 LEU 13 -4.821 18.789 26.242 84 HG LEU 13 HG LEU 13 -4.290 21.759 26.343 85 HD11 LEU 13 HD11 LEU 13 -6.365 21.957 25.044 86 HD12 LEU 13 HD12 LEU 13 -6.401 20.201 24.862 87 HD13 LEU 13 HD13 LEU 13 -5.088 21.136 24.150 88 HD21 LEU 13 HD21 LEU 13 -6.469 21.839 27.469 89 HD22 LEU 13 HD22 LEU 13 -5.290 20.901 28.383 90 HD23 LEU 13 HD23 LEU 13 -6.538 20.076 27.447 91 H GLY 14 H GLY 14 -2.005 18.424 25.365 92 HA2 GLY 14 HA2 GLY 14 -0.819 16.494 24.901 93 HA3 GLY 14 HA3 GLY 14 -0.467 16.392 26.624 94 H ASP 15 H ASP 15 -3.659 16.453 25.149 95 HA ASP 15 HA ASP 15 -4.147 13.733 26.141 96 HB2 ASP 15 HB2 ASP 15 -5.178 15.293 27.676 97 HB3 ASP 15 HB3 ASP 15 -5.863 16.213 26.341 98 H LYS 16 H LYS 16 -4.559 16.149 23.701 99 HA LYS 16 HA LYS 16 -6.592 14.674 22.263 100 HB2 LYS 16 HB2 LYS 16 -6.211 17.299 22.558 101 HB3 LYS 16 HB3 LYS 16 -5.213 17.057 21.136 102 HG2 LYS 16 HG2 LYS 16 -7.208 17.608 20.173 103 HG3 LYS 16 HG3 LYS 16 -7.346 15.850 20.213 104 HD2 LYS 16 HD2 LYS 16 -8.418 17.630 22.397 105 HD3 LYS 16 HD3 LYS 16 -9.383 17.158 20.997 106 HE2 LYS 16 HE2 LYS 16 -8.966 14.771 21.641 107 HE3 LYS 16 HE3 LYS 16 -8.183 15.367 23.106 108 HZ1 LYS 16 HZ1 LYS 16 -11.014 15.806 22.331 109 HZ2 LYS 16 HZ2 LYS 16 -10.272 16.481 23.687 110 HZ3 LYS 16 HZ3 LYS 16 -10.450 14.808 23.576 111 H LYS 17 H LYS 17 -6.277 13.847 20.171 112 HA LYS 17 HA LYS 17 -3.651 12.827 19.655 113 HB2 LYS 17 HB2 LYS 17 -4.765 11.911 17.561 114 HB3 LYS 17 HB3 LYS 17 -5.409 11.358 19.101 115 HG2 LYS 17 HG2 LYS 17 -7.340 12.701 18.890 116 HG3 LYS 17 HG3 LYS 17 -6.637 13.635 17.573 117 HD2 LYS 17 HD2 LYS 17 -8.360 11.942 16.879 118 HD3 LYS 17 HD3 LYS 17 -6.799 11.799 16.071 119 HE2 LYS 17 HE2 LYS 17 -7.538 9.602 16.658 120 HE3 LYS 17 HE3 LYS 17 -6.186 10.029 17.701 121 HZ1 LYS 17 HZ1 LYS 17 -9.066 10.070 18.426 122 HZ2 LYS 17 HZ2 LYS 17 -7.832 10.639 19.425 123 HZ3 LYS 17 HZ3 LYS 17 -7.893 9.005 19.011 124 H GLU 18 H GLU 18 -2.841 12.960 17.285 125 HA GLU 18 HA GLU 18 -2.398 15.768 16.773 126 HB2 GLU 18 HB2 GLU 18 -0.765 15.025 15.114 127 HB3 GLU 18 HB3 GLU 18 -0.515 14.189 16.637 128 HG2 GLU 18 HG2 GLU 18 -2.097 12.946 14.409 129 HG3 GLU 18 HG3 GLU 18 -0.337 12.835 14.462 130 H GLY 19 H GLY 19 -3.948 13.054 15.206 131 HA2 GLY 19 HA2 GLY 19 -5.695 14.807 13.749 132 HA3 GLY 19 HA3 GLY 19 -4.525 13.990 12.718 133 H GLU 20 H GLU 20 -6.788 13.293 11.959 134 HA GLU 20 HA GLU 20 -7.901 11.153 13.588 135 HB2 GLU 20 HB2 GLU 20 -8.867 12.499 11.082 136 HB3 GLU 20 HB3 GLU 20 -9.607 11.028 11.698 137 HG2 GLU 20 HG2 GLU 20 -10.088 12.180 13.809 138 HG3 GLU 20 HG3 GLU 20 -9.400 13.656 13.137 139 H TYR 21 H TYR 21 -8.087 9.054 12.908 140 HA TYR 21 HA TYR 21 -6.155 8.317 10.838 141 HB2 TYR 21 HB2 TYR 21 -7.347 6.476 12.908 142 HB3 TYR 21 HB3 TYR 21 -5.933 6.215 11.891 143 HD1 TYR 21 HD1 TYR 21 -4.637 8.969 12.366 144 HD2 TYR 21 HD2 TYR 21 -6.355 6.123 15.029 145 HE1 TYR 21 HE1 TYR 21 -3.207 9.804 14.177 146 HE2 TYR 21 HE2 TYR 21 -4.930 6.963 16.848 147 HH TYR 21 HH TYR 21 -3.073 9.869 16.551 148 H ILE 22 H ILE 22 -6.812 7.173 9.110 149 HA ILE 22 HA ILE 22 -9.685 6.616 8.966 150 HB ILE 22 HB ILE 22 -9.450 6.941 6.511 151 HG12 ILE 22 HG12 ILE 22 -7.001 8.545 6.909 152 HG13 ILE 22 HG13 ILE 22 -6.794 6.796 6.922 153 HG21 ILE 22 HG21 ILE 22 -9.471 9.394 6.620 154 HG22 ILE 22 HG22 ILE 22 -8.811 9.320 8.254 155 HG23 ILE 22 HG23 ILE 22 -10.417 8.671 7.921 156 HD11 ILE 22 HD11 ILE 22 -8.020 8.445 4.743 157 HD12 ILE 22 HD12 ILE 22 -7.947 6.679 4.779 158 HD13 ILE 22 HD13 ILE 22 -6.453 7.625 4.718 159 H LYS 23 H LYS 23 -10.318 4.792 7.827 160 HA LYS 23 HA LYS 23 -8.224 2.765 7.600 161 HB2 LYS 23 HB2 LYS 23 -10.333 1.213 7.436 162 HB3 LYS 23 HB3 LYS 23 -9.750 1.779 8.990 163 HG2 LYS 23 HG2 LYS 23 -12.068 2.026 9.086 164 HG3 LYS 23 HG3 LYS 23 -11.445 3.644 8.781 165 HD2 LYS 23 HD2 LYS 23 -12.147 3.596 6.521 166 HD3 LYS 23 HD3 LYS 23 -12.446 1.851 6.573 167 HE2 LYS 23 HE2 LYS 23 -14.261 2.124 8.047 168 HE3 LYS 23 HE3 LYS 23 -13.886 3.823 8.312 169 HZ1 LYS 23 HZ1 LYS 23 -15.787 3.541 6.878 170 HZ2 LYS 23 HZ2 LYS 23 -14.907 2.616 5.785 171 HZ3 LYS 23 HZ3 LYS 23 -14.534 4.265 6.013 172 H LEU 24 H LEU 24 -8.103 1.448 5.823 173 HA LEU 24 HA LEU 24 -9.647 2.159 3.473 174 HB2 LEU 24 HB2 LEU 24 -6.637 2.156 3.286 175 HB3 LEU 24 HB3 LEU 24 -7.788 2.616 2.061 176 HG LEU 24 HG LEU 24 -8.406 4.488 3.816 177 HD11 LEU 24 HD11 LEU 24 -6.491 5.264 5.065 178 HD12 LEU 24 HD12 LEU 24 -5.517 3.930 4.458 179 HD13 LEU 24 HD13 LEU 24 -6.876 3.607 5.536 180 HD21 LEU 24 HD21 LEU 24 -6.825 5.963 2.682 181 HD22 LEU 24 HD22 LEU 24 -7.615 4.864 1.550 182 HD23 LEU 24 HD23 LEU 24 -5.959 4.556 2.068 183 H LYS 25 H LYS 25 -8.488 0.744 1.548 184 HA LYS 25 HA LYS 25 -7.768 -1.879 2.486 185 HB2 LYS 25 HB2 LYS 25 -10.216 -1.980 2.678 186 HB3 LYS 25 HB3 LYS 25 -10.386 -1.413 1.027 187 HG2 LYS 25 HG2 LYS 25 -8.833 -3.906 1.471 188 HG3 LYS 25 HG3 LYS 25 -10.581 -3.977 1.687 189 HD2 LYS 25 HD2 LYS 25 -9.268 -2.846 -0.776 190 HD3 LYS 25 HD3 LYS 25 -9.722 -4.545 -0.620 191 HE2 LYS 25 HE2 LYS 25 -11.626 -2.251 -0.259 192 HE3 LYS 25 HE3 LYS 25 -11.407 -3.105 -1.787 193 HZ1 LYS 25 HZ1 LYS 25 -12.475 -4.173 0.765 194 HZ2 LYS 25 HZ2 LYS 25 -11.977 -5.183 -0.495 195 HZ3 LYS 25 HZ3 LYS 25 -13.246 -4.090 -0.738 196 H VAL 26 H VAL 26 -6.900 -3.160 0.806 197 HA VAL 26 HA VAL 26 -6.723 -1.877 -1.832 198 HB VAL 26 HB VAL 26 -4.420 -1.791 -2.040 199 HG11 VAL 26 HG11 VAL 26 -5.092 -0.098 -0.454 200 HG12 VAL 26 HG12 VAL 26 -3.464 -0.674 -0.092 201 HG13 VAL 26 HG13 VAL 26 -4.832 -1.220 0.877 202 HG21 VAL 26 HG21 VAL 26 -3.423 -3.728 -1.553 203 HG22 VAL 26 HG22 VAL 26 -4.431 -4.001 -0.143 204 HG23 VAL 26 HG23 VAL 26 -3.031 -2.930 -0.025 205 H ILE 27 H ILE 27 -6.485 -3.248 -3.539 206 HA ILE 27 HA ILE 27 -6.529 -6.120 -2.868 207 HB ILE 27 HB ILE 27 -8.008 -4.769 -5.139 208 HG12 ILE 27 HG12 ILE 27 -9.226 -6.031 -2.700 209 HG13 ILE 27 HG13 ILE 27 -8.805 -4.323 -2.746 210 HG21 ILE 27 HG21 ILE 27 -8.085 -7.608 -4.112 211 HG22 ILE 27 HG22 ILE 27 -7.363 -7.073 -5.631 212 HG23 ILE 27 HG23 ILE 27 -9.108 -6.955 -5.394 213 HD11 ILE 27 HD11 ILE 27 -10.315 -3.984 -4.602 214 HD12 ILE 27 HD12 ILE 27 -11.161 -4.710 -3.236 215 HD13 ILE 27 HD13 ILE 27 -10.710 -5.704 -4.623 216 H GLY 28 H GLY 28 -5.312 -7.459 -4.167 217 HA2 GLY 28 HA2 GLY 28 -3.724 -6.073 -6.232 218 HA3 GLY 28 HA3 GLY 28 -3.000 -7.226 -5.117 219 H GLN 29 H GLN 29 -2.481 -7.760 -7.579 220 HA GLN 29 HA GLN 29 -4.350 -9.226 -9.097 221 HB2 GLN 29 HB2 GLN 29 -2.593 -9.688 -10.533 222 HB3 GLN 29 HB3 GLN 29 -1.955 -8.281 -9.697 223 HG2 GLN 29 HG2 GLN 29 -1.299 -11.154 -9.044 224 HG3 GLN 29 HG3 GLN 29 -0.282 -10.064 -9.976 225 HE21 GLN 29 HE21 GLN 29 -0.782 -7.754 -8.273 226 HE22 GLN 29 HE22 GLN 29 0.056 -8.062 -6.789 227 H ASP 30 H ASP 30 -2.953 -9.920 -6.179 228 HA ASP 30 HA ASP 30 -2.658 -12.764 -6.443 229 HB2 ASP 30 HB2 ASP 30 -1.260 -11.283 -4.948 230 HB3 ASP 30 HB3 ASP 30 -2.688 -11.043 -3.953 231 H SER 31 H SER 31 -5.307 -10.728 -6.269 232 HA SER 31 HA SER 31 -7.456 -10.971 -5.848 233 HB2 SER 31 HB2 SER 31 -7.066 -13.261 -6.913 234 HB3 SER 31 HB3 SER 31 -6.973 -13.908 -5.278 235 HG SER 31 HG SER 31 -9.125 -13.591 -6.665 236 H SER 32 H SER 32 -5.283 -10.735 -3.745 237 HA SER 32 HA SER 32 -6.928 -11.333 -1.408 238 HB2 SER 32 HB2 SER 32 -3.962 -10.793 -1.658 239 HB3 SER 32 HB3 SER 32 -4.810 -11.094 -0.137 240 HG SER 32 HG SER 32 -3.865 -12.863 -1.941 241 H GLU 33 H GLU 33 -6.686 -9.661 0.354 242 HA GLU 33 HA GLU 33 -6.161 -6.995 -0.577 243 HB2 GLU 33 HB2 GLU 33 -8.345 -6.099 0.047 244 HB3 GLU 33 HB3 GLU 33 -8.490 -7.296 -1.229 245 HG2 GLU 33 HG2 GLU 33 -9.461 -8.869 0.191 246 HG3 GLU 33 HG3 GLU 33 -8.936 -8.013 1.641 247 H ILE 34 H ILE 34 -6.024 -5.479 1.138 248 HA ILE 34 HA ILE 34 -5.849 -6.717 3.800 249 HB ILE 34 HB ILE 34 -3.556 -6.392 2.782 250 HG12 ILE 34 HG12 ILE 34 -2.647 -5.054 4.788 251 HG13 ILE 34 HG13 ILE 34 -4.325 -4.966 5.315 252 HG21 ILE 34 HG21 ILE 34 -2.663 -4.071 2.775 253 HG22 ILE 34 HG22 ILE 34 -4.324 -3.497 2.953 254 HG23 ILE 34 HG23 ILE 34 -3.853 -4.416 1.526 255 HD11 ILE 34 HD11 ILE 34 -3.182 -6.784 6.404 256 HD12 ILE 34 HD12 ILE 34 -2.729 -7.460 4.839 257 HD13 ILE 34 HD13 ILE 34 -4.426 -7.412 5.323 258 H HIS 35 H HIS 35 -6.488 -5.442 5.509 259 HA HIS 35 HA HIS 35 -7.672 -2.829 4.812 260 HB2 HIS 35 HB2 HIS 35 -8.470 -4.838 6.929 261 HB3 HIS 35 HB3 HIS 35 -9.080 -3.195 6.882 262 HD1 HIS 35 HD1 HIS 35 -11.483 -4.029 6.553 263 HD2 HIS 35 HD2 HIS 35 -8.868 -5.122 3.521 264 HE1 HIS 35 HE1 HIS 35 -12.935 -4.928 4.710 265 HE2 HIS 35 HE2 HIS 35 -11.311 -5.822 2.998 266 H PHE 36 H PHE 36 -7.151 -1.092 6.132 267 HA PHE 36 HA PHE 36 -5.622 -1.520 8.546 268 HB2 PHE 36 HB2 PHE 36 -3.726 -0.029 7.659 269 HB3 PHE 36 HB3 PHE 36 -3.740 -1.710 7.144 270 HD1 PHE 36 HD1 PHE 36 -4.533 1.739 6.092 271 HD2 PHE 36 HD2 PHE 36 -3.933 -2.287 4.879 272 HE1 PHE 36 HE1 PHE 36 -4.497 2.454 3.740 273 HE2 PHE 36 HE2 PHE 36 -3.903 -1.580 2.535 274 HZ PHE 36 HZ PHE 36 -4.188 0.795 1.960 275 HH31 ALY 37 HH31 ALY 37 -8.356 0.767 16.281 276 HH32 ALY 37 HH32 ALY 37 -7.531 2.016 15.326 277 HH33 ALY 37 HH33 ALY 37 -6.950 1.585 16.948 278 HZ ALY 37 HZ ALY 37 -7.821 -0.825 14.330 279 HE3 ALY 37 HE3 ALY 37 -5.098 -0.301 13.361 280 HE2 ALY 37 HE2 ALY 37 -6.068 -1.723 12.985 281 HD3 ALY 37 HD3 ALY 37 -6.014 -0.288 11.057 282 HD2 ALY 37 HD2 ALY 37 -7.639 -0.257 11.744 283 HG3 ALY 37 HG3 ALY 37 -7.090 1.853 12.900 284 HG2 ALY 37 HG2 ALY 37 -5.495 1.827 12.151 285 HB3 ALY 37 HB3 ALY 37 -8.025 1.782 10.530 286 HB2 ALY 37 HB2 ALY 37 -7.306 3.280 11.085 287 HCA ALY 37 HCA ALY 37 -6.724 2.722 8.722 288 H ALY 37 H ALY 37 -5.146 0.461 9.670 289 H VAL 38 H VAL 38 -5.280 4.060 8.040 290 HA VAL 38 HA VAL 38 -2.779 4.356 9.524 291 HB VAL 38 HB VAL 38 -1.922 5.551 7.566 292 HG11 VAL 38 HG11 VAL 38 -3.222 2.923 6.876 293 HG12 VAL 38 HG12 VAL 38 -1.658 3.144 7.649 294 HG13 VAL 38 HG13 VAL 38 -1.898 3.673 5.985 295 HG21 VAL 38 HG21 VAL 38 -3.237 5.678 5.493 296 HG22 VAL 38 HG22 VAL 38 -3.987 6.599 6.798 297 HG23 VAL 38 HG23 VAL 38 -4.632 5.021 6.347 298 H LYS 39 H LYS 39 -1.965 6.804 9.058 299 HA LYS 39 HA LYS 39 -3.890 8.399 10.569 300 HB2 LYS 39 HB2 LYS 39 -0.996 9.053 9.987 301 HB3 LYS 39 HB3 LYS 39 -2.032 9.779 11.206 302 HG2 LYS 39 HG2 LYS 39 -2.087 7.668 12.436 303 HG3 LYS 39 HG3 LYS 39 -1.070 6.922 11.203 304 HD2 LYS 39 HD2 LYS 39 0.368 7.508 13.000 305 HD3 LYS 39 HD3 LYS 39 0.655 8.696 11.727 306 HE2 LYS 39 HE2 LYS 39 -0.856 10.261 12.884 307 HE3 LYS 39 HE3 LYS 39 -1.076 9.074 14.168 308 HZ1 LYS 39 HZ1 LYS 39 1.381 9.184 14.500 309 HZ2 LYS 39 HZ2 LYS 39 0.553 10.600 14.895 310 HZ3 LYS 39 HZ3 LYS 39 1.416 10.499 13.439 311 H MET 40 H MET 40 -4.086 10.726 9.954 312 HA MET 40 HA MET 40 -4.870 11.148 7.336 313 HB2 MET 40 HB2 MET 40 -5.465 12.625 9.223 314 HB3 MET 40 HB3 MET 40 -3.809 13.200 9.290 315 HG2 MET 40 HG2 MET 40 -5.043 14.881 8.198 316 HG3 MET 40 HG3 MET 40 -4.129 14.059 6.939 317 HE1 MET 40 HE1 MET 40 -5.398 11.856 5.607 318 HE2 MET 40 HE2 MET 40 -5.185 13.378 4.743 319 HE3 MET 40 HE3 MET 40 -6.723 12.519 4.653 320 H THR 41 H THR 41 -1.731 11.663 8.832 321 HA THR 41 HA THR 41 -0.595 11.840 6.153 322 HB THR 41 HB THR 41 1.082 13.460 7.042 323 HG1 THR 41 HG1 THR 41 1.139 13.618 9.155 324 HG21 THR 41 HG21 THR 41 -1.797 14.322 7.358 325 HG22 THR 41 HG22 THR 41 -0.914 14.256 5.836 326 HG23 THR 41 HG23 THR 41 -0.427 15.405 7.090 327 H THR 42 H THR 42 0.741 10.175 5.856 328 HA THR 42 HA THR 42 2.814 9.486 7.625 329 HB THR 42 HB THR 42 0.876 8.399 8.846 330 HG1 THR 42 HG1 THR 42 2.388 7.047 9.448 331 HG21 THR 42 HG21 THR 42 -0.464 7.760 6.892 332 HG22 THR 42 HG22 THR 42 -0.073 6.347 7.876 333 HG23 THR 42 HG23 THR 42 0.812 6.653 6.381 334 H HIS 43 H HIS 43 3.847 7.336 6.800 335 HA HIS 43 HA HIS 43 3.827 7.505 3.888 336 HB2 HIS 43 HB2 HIS 43 5.703 6.055 5.764 337 HB3 HIS 43 HB3 HIS 43 5.856 6.083 4.013 338 HD1 HIS 43 HD1 HIS 43 7.435 7.548 6.709 339 HD2 HIS 43 HD2 HIS 43 5.738 9.128 3.260 340 HE1 HIS 43 HE1 HIS 43 8.493 9.805 6.411 341 HE2 HIS 43 HE2 HIS 43 7.258 10.830 4.465 342 H LEU 44 H LEU 44 2.815 6.095 2.678 343 HA LEU 44 HA LEU 44 1.183 4.100 3.743 344 HB2 LEU 44 HB2 LEU 44 2.125 4.435 0.907 345 HB3 LEU 44 HB3 LEU 44 0.823 3.380 1.420 346 HG LEU 44 HG LEU 44 0.889 6.379 1.476 347 HD11 LEU 44 HD11 LEU 44 0.330 5.489 -0.660 348 HD12 LEU 44 HD12 LEU 44 -1.149 6.102 0.084 349 HD13 LEU 44 HD13 LEU 44 -0.828 4.366 0.048 350 HD21 LEU 44 HD21 LEU 44 -0.147 5.685 3.543 351 HD22 LEU 44 HD22 LEU 44 -1.148 4.510 2.693 352 HD23 LEU 44 HD23 LEU 44 -1.405 6.234 2.435 353 H LYS 45 H LYS 45 4.511 3.911 3.340 354 HA LYS 45 HA LYS 45 4.896 1.287 2.484 355 HB2 LYS 45 HB2 LYS 45 6.661 3.047 2.872 356 HB3 LYS 45 HB3 LYS 45 6.534 2.685 4.588 357 HG2 LYS 45 HG2 LYS 45 6.876 0.279 3.068 358 HG3 LYS 45 HG3 LYS 45 8.153 1.436 2.705 359 HD2 LYS 45 HD2 LYS 45 7.357 0.649 5.497 360 HD3 LYS 45 HD3 LYS 45 8.675 -0.105 4.596 361 HE2 LYS 45 HE2 LYS 45 8.440 2.797 5.365 362 HE3 LYS 45 HE3 LYS 45 9.553 1.612 6.048 363 HZ1 LYS 45 HZ1 LYS 45 10.578 1.394 3.849 364 HZ2 LYS 45 HZ2 LYS 45 10.682 2.972 4.423 365 HZ3 LYS 45 HZ3 LYS 45 9.551 2.587 3.228 366 H LYS 46 H LYS 46 3.807 2.570 5.527 367 HA LYS 46 HA LYS 46 4.216 0.429 7.231 368 HB2 LYS 46 HB2 LYS 46 3.543 2.469 8.168 369 HB3 LYS 46 HB3 LYS 46 2.178 2.625 7.077 370 HG2 LYS 46 HG2 LYS 46 2.056 0.279 8.766 371 HG3 LYS 46 HG3 LYS 46 2.061 1.802 9.666 372 HD2 LYS 46 HD2 LYS 46 0.201 2.587 8.210 373 HD3 LYS 46 HD3 LYS 46 0.169 0.992 7.452 374 HE2 LYS 46 HE2 LYS 46 -1.550 1.187 9.173 375 HE3 LYS 46 HE3 LYS 46 -0.349 -0.027 9.604 376 HZ1 LYS 46 HZ1 LYS 46 -0.496 2.743 10.678 377 HZ2 LYS 46 HZ2 LYS 46 0.713 1.624 11.045 378 HZ3 LYS 46 HZ3 LYS 46 -0.880 1.322 11.500 379 H LEU 47 H LEU 47 1.787 0.947 4.804 380 HA LEU 47 HA LEU 47 0.241 -1.368 5.677 381 HB2 LEU 47 HB2 LEU 47 -1.423 -0.771 4.136 382 HB3 LEU 47 HB3 LEU 47 -0.838 0.751 4.770 383 HG LEU 47 HG LEU 47 0.712 0.515 2.599 384 HD11 LEU 47 HD11 LEU 47 -0.324 -1.538 1.853 385 HD12 LEU 47 HD12 LEU 47 -0.672 -0.229 0.720 386 HD13 LEU 47 HD13 LEU 47 -1.908 -0.763 1.861 387 HD21 LEU 47 HD21 LEU 47 -2.063 1.678 2.729 388 HD22 LEU 47 HD22 LEU 47 -0.853 2.072 1.507 389 HD23 LEU 47 HD23 LEU 47 -0.561 2.474 3.201 390 H LYS 48 H LYS 48 2.567 -0.454 3.266 391 HA LYS 48 HA LYS 48 2.442 -2.715 1.607 392 HB2 LYS 48 HB2 LYS 48 4.678 -0.853 2.380 393 HB3 LYS 48 HB3 LYS 48 5.038 -2.289 1.439 394 HG2 LYS 48 HG2 LYS 48 4.731 -0.185 0.107 395 HG3 LYS 48 HG3 LYS 48 3.711 -1.536 -0.388 396 HD2 LYS 48 HD2 LYS 48 1.816 -0.584 0.749 397 HD3 LYS 48 HD3 LYS 48 2.820 0.695 1.433 398 HE2 LYS 48 HE2 LYS 48 3.135 1.698 -0.688 399 HE3 LYS 48 HE3 LYS 48 2.456 0.300 -1.524 400 HZ1 LYS 48 HZ1 LYS 48 0.314 0.792 -0.583 401 HZ2 LYS 48 HZ2 LYS 48 0.892 2.160 -1.391 402 HZ3 LYS 48 HZ3 LYS 48 0.945 2.088 0.300 403 H GLU 49 H GLU 49 4.164 -2.137 4.643 404 HA GLU 49 HA GLU 49 5.347 -4.660 4.931 405 HB2 GLU 49 HB2 GLU 49 4.286 -2.842 7.096 406 HB3 GLU 49 HB3 GLU 49 5.441 -4.149 7.318 407 HG2 GLU 49 HG2 GLU 49 6.982 -2.963 5.822 408 HG3 GLU 49 HG3 GLU 49 5.850 -1.618 5.757 409 H SER 50 H SER 50 2.295 -3.391 6.213 410 HA SER 50 HA SER 50 1.440 -5.685 7.518 411 HB2 SER 50 HB2 SER 50 -0.816 -4.708 7.448 412 HB3 SER 50 HB3 SER 50 0.395 -3.480 7.818 413 HG SER 50 HG SER 50 0.009 -3.639 5.164 414 H TYR 51 H TYR 51 1.364 -4.923 4.179 415 HA TYR 51 HA TYR 51 -0.574 -6.954 3.482 416 HB2 TYR 51 HB2 TYR 51 -0.005 -4.840 2.103 417 HB3 TYR 51 HB3 TYR 51 1.370 -5.767 1.513 418 HD1 TYR 51 HD1 TYR 51 0.555 -8.319 0.814 419 HD2 TYR 51 HD2 TYR 51 -1.799 -4.792 0.667 420 HE1 TYR 51 HE1 TYR 51 -0.880 -9.353 -0.909 421 HE2 TYR 51 HE2 TYR 51 -3.242 -5.816 -1.052 422 HH TYR 51 HH TYR 51 -3.202 -7.538 -2.680 423 H CYS 52 H CYS 52 2.938 -6.630 3.016 424 HA CYS 52 HA CYS 52 3.377 -9.249 2.098 425 HB2 CYS 52 HB2 CYS 52 5.138 -7.730 1.720 426 HB3 CYS 52 HB3 CYS 52 5.230 -7.226 3.389 427 HG CYS 52 HG CYS 52 5.876 -10.388 3.405 428 H GLN 53 H GLN 53 3.135 -7.970 5.336 429 HA GLN 53 HA GLN 53 4.125 -10.302 6.649 430 HB2 GLN 53 HB2 GLN 53 2.472 -7.984 7.637 431 HB3 GLN 53 HB3 GLN 53 3.110 -9.249 8.676 432 HG2 GLN 53 HG2 GLN 53 4.854 -7.587 6.909 433 HG3 GLN 53 HG3 GLN 53 4.433 -7.080 8.544 434 HE21 GLN 53 HE21 GLN 53 5.199 -8.333 10.285 435 HE22 GLN 53 HE22 GLN 53 6.550 -9.397 10.102 436 H ARG 54 H ARG 54 0.906 -9.134 5.794 437 HA ARG 54 HA ARG 54 -0.422 -11.213 7.270 438 HB2 ARG 54 HB2 ARG 54 -1.365 -8.944 6.943 439 HB3 ARG 54 HB3 ARG 54 -1.532 -9.297 5.231 440 HG2 ARG 54 HG2 ARG 54 -3.653 -9.551 6.333 441 HG3 ARG 54 HG3 ARG 54 -3.079 -11.127 5.785 442 HD2 ARG 54 HD2 ARG 54 -2.408 -11.728 7.991 443 HD3 ARG 54 HD3 ARG 54 -2.690 -10.091 8.584 444 HE ARG 54 HE ARG 54 -5.116 -10.793 7.684 445 HH11 ARG 54 HH11 ARG 54 -2.850 -12.436 9.804 446 HH12 ARG 54 HH12 ARG 54 -4.083 -13.250 10.698 447 HH21 ARG 54 HH21 ARG 54 -6.739 -11.849 8.869 448 HH22 ARG 54 HH22 ARG 54 -6.316 -12.915 10.165 449 H GLN 55 H GLN 55 -0.018 -10.448 3.816 450 HA GLN 55 HA GLN 55 -1.274 -12.952 3.081 451 HB2 GLN 55 HB2 GLN 55 -0.264 -10.578 1.576 452 HB3 GLN 55 HB3 GLN 55 -0.544 -12.086 0.717 453 HG2 GLN 55 HG2 GLN 55 -2.486 -10.763 0.451 454 HG3 GLN 55 HG3 GLN 55 -2.894 -12.040 1.588 455 HE21 GLN 55 HE21 GLN 55 -1.020 -9.193 2.417 456 HE22 GLN 55 HE22 GLN 55 -2.226 -8.482 3.432 457 H GLY 56 H GLY 56 1.877 -11.880 3.754 458 HA2 GLY 56 HA2 GLY 56 3.905 -12.935 3.647 459 HA3 GLY 56 HA3 GLY 56 3.023 -14.424 3.332 460 H VAL 57 H VAL 57 2.786 -11.617 1.256 461 HA VAL 57 HA VAL 57 4.234 -13.114 -0.818 462 HB VAL 57 HB VAL 57 2.899 -11.776 -2.487 463 HG11 VAL 57 HG11 VAL 57 0.855 -13.110 -2.250 464 HG12 VAL 57 HG12 VAL 57 1.334 -13.535 -0.607 465 HG13 VAL 57 HG13 VAL 57 2.309 -14.072 -1.975 466 HG21 VAL 57 HG21 VAL 57 2.224 -9.927 -1.076 467 HG22 VAL 57 HG22 VAL 57 1.313 -11.016 -0.034 468 HG23 VAL 57 HG23 VAL 57 0.793 -10.749 -1.699 469 HA PRO 58 HA PRO 58 7.275 -9.951 -0.997 470 HB2 PRO 58 HB2 PRO 58 7.931 -10.050 -3.657 471 HB3 PRO 58 HB3 PRO 58 8.466 -11.247 -2.473 472 HG2 PRO 58 HG2 PRO 58 6.186 -11.381 -4.405 473 HG3 PRO 58 HG3 PRO 58 7.369 -12.633 -3.984 474 HD2 PRO 58 HD2 PRO 58 4.885 -12.634 -2.961 475 HD3 PRO 58 HD3 PRO 58 6.286 -13.167 -2.008 476 H MET 59 H MET 59 6.676 -7.882 -0.764 477 HA MET 59 HA MET 59 4.721 -6.647 -2.427 478 HB2 MET 59 HB2 MET 59 6.396 -5.722 -0.130 479 HB3 MET 59 HB3 MET 59 5.499 -4.550 -1.094 480 HG2 MET 59 HG2 MET 59 4.359 -6.901 0.380 481 HG3 MET 59 HG3 MET 59 4.285 -5.222 0.909 482 HE1 MET 59 HE1 MET 59 3.310 -7.759 -1.934 483 HE2 MET 59 HE2 MET 59 1.579 -7.420 -1.982 484 HE3 MET 59 HE3 MET 59 2.322 -8.001 -0.496 485 H ASN 60 H ASN 60 7.945 -7.189 -2.945 486 HA ASN 60 HA ASN 60 8.470 -4.707 -4.362 487 HB2 ASN 60 HB2 ASN 60 10.093 -7.235 -4.049 488 HB3 ASN 60 HB3 ASN 60 10.611 -5.871 -5.031 489 HD21 ASN 60 HD21 ASN 60 8.853 -5.491 -2.047 490 HD22 ASN 60 HD22 ASN 60 10.150 -4.840 -1.116 491 H SER 61 H SER 61 7.817 -8.067 -5.170 492 HA SER 61 HA SER 61 8.140 -7.975 -7.907 493 HB2 SER 61 HB2 SER 61 6.106 -9.588 -6.368 494 HB3 SER 61 HB3 SER 61 6.647 -9.918 -8.015 495 HG SER 61 HG SER 61 8.830 -9.695 -6.600 496 H LEU 62 H LEU 62 5.490 -6.696 -6.038 497 HA LEU 62 HA LEU 62 4.280 -5.785 -8.536 498 HB2 LEU 62 HB2 LEU 62 2.095 -5.705 -7.153 499 HB3 LEU 62 HB3 LEU 62 2.629 -7.221 -7.822 500 HG LEU 62 HG LEU 62 1.642 -7.300 -5.517 501 HD11 LEU 62 HD11 LEU 62 4.423 -8.382 -5.812 502 HD12 LEU 62 HD12 LEU 62 2.942 -9.127 -6.410 503 HD13 LEU 62 HD13 LEU 62 3.200 -8.945 -4.674 504 HD21 LEU 62 HD21 LEU 62 2.688 -5.284 -4.611 505 HD22 LEU 62 HD22 LEU 62 4.267 -6.072 -4.688 506 HD23 LEU 62 HD23 LEU 62 3.015 -6.702 -3.620 507 H ARG 63 H ARG 63 2.680 -3.835 -7.917 508 HA ARG 63 HA ARG 63 3.967 -2.174 -5.895 509 HB2 ARG 63 HB2 ARG 63 4.056 -0.213 -7.351 510 HB3 ARG 63 HB3 ARG 63 5.085 -1.505 -7.939 511 HG2 ARG 63 HG2 ARG 63 2.331 -1.149 -9.043 512 HG3 ARG 63 HG3 ARG 63 3.657 -0.130 -9.598 513 HD2 ARG 63 HD2 ARG 63 4.823 -2.539 -9.790 514 HD3 ARG 63 HD3 ARG 63 3.140 -3.003 -10.041 515 HE ARG 63 HE ARG 63 3.078 -1.414 -11.896 516 HH11 ARG 63 HH11 ARG 63 6.208 -2.527 -10.782 517 HH12 ARG 63 HH12 ARG 63 7.046 -2.049 -12.214 518 HH21 ARG 63 HH21 ARG 63 4.183 -0.779 -13.812 519 HH22 ARG 63 HH22 ARG 63 5.885 -1.044 -13.951 520 H PHE 64 H PHE 64 2.732 -0.083 -5.577 521 HA PHE 64 HA PHE 64 -0.118 -0.790 -5.497 522 HB2 PHE 64 HB2 PHE 64 1.569 0.865 -3.627 523 HB3 PHE 64 HB3 PHE 64 -0.187 0.859 -3.572 524 HD1 PHE 64 HD1 PHE 64 2.680 -1.526 -3.537 525 HD2 PHE 64 HD2 PHE 64 -1.222 -0.586 -2.134 526 HE1 PHE 64 HE1 PHE 64 2.747 -3.477 -2.051 527 HE2 PHE 64 HE2 PHE 64 -1.160 -2.541 -0.648 528 HZ PHE 64 HZ PHE 64 0.823 -3.986 -0.604 529 H LEU 65 H LEU 65 -1.285 0.302 -6.866 530 HA LEU 65 HA LEU 65 -0.599 3.113 -7.394 531 HB2 LEU 65 HB2 LEU 65 -1.913 1.260 -9.363 532 HB3 LEU 65 HB3 LEU 65 -1.317 2.887 -9.657 533 HG LEU 65 HG LEU 65 0.389 0.452 -9.135 534 HD11 LEU 65 HD11 LEU 65 -0.661 0.455 -11.338 535 HD12 LEU 65 HD12 LEU 65 1.080 0.722 -11.454 536 HD13 LEU 65 HD13 LEU 65 -0.035 2.076 -11.639 537 HD21 LEU 65 HD21 LEU 65 1.168 3.293 -9.770 538 HD22 LEU 65 HD22 LEU 65 2.273 1.923 -9.648 539 HD23 LEU 65 HD23 LEU 65 1.391 2.480 -8.222 540 H PHE 66 H PHE 66 -2.190 4.497 -7.179 541 HA PHE 66 HA PHE 66 -4.838 3.440 -6.473 542 HB2 PHE 66 HB2 PHE 66 -3.983 4.683 -4.638 543 HB3 PHE 66 HB3 PHE 66 -3.420 5.983 -5.671 544 HD1 PHE 66 HD1 PHE 66 -6.737 4.318 -5.686 545 HD2 PHE 66 HD2 PHE 66 -4.521 7.843 -4.813 546 HE1 PHE 66 HE1 PHE 66 -8.823 5.526 -5.327 547 HE2 PHE 66 HE2 PHE 66 -6.620 9.071 -4.431 548 HZ PHE 66 HZ PHE 66 -8.781 7.913 -4.689 549 H GLU 67 H GLU 67 -5.940 3.349 -8.319 550 HA GLU 67 HA GLU 67 -6.844 3.900 -10.328 551 HB2 GLU 67 HB2 GLU 67 -8.224 5.903 -10.304 552 HB3 GLU 67 HB3 GLU 67 -8.274 5.125 -8.735 553 HG2 GLU 67 HG2 GLU 67 -6.818 6.781 -7.798 554 HG3 GLU 67 HG3 GLU 67 -6.540 7.484 -9.387 555 H GLY 68 H GLY 68 -4.014 4.265 -10.289 556 HA2 GLY 68 HA2 GLY 68 -2.754 4.852 -12.272 557 HA3 GLY 68 HA3 GLY 68 -3.763 6.281 -12.428 558 H GLN 69 H GLN 69 -3.048 5.975 -9.205 559 HA GLN 69 HA GLN 69 -0.883 7.915 -9.389 560 HB2 GLN 69 HB2 GLN 69 -2.658 7.014 -7.124 561 HB3 GLN 69 HB3 GLN 69 -1.291 8.095 -6.887 562 HG2 GLN 69 HG2 GLN 69 -3.425 8.780 -8.854 563 HG3 GLN 69 HG3 GLN 69 -3.702 9.013 -7.131 564 HE21 GLN 69 HE21 GLN 69 -0.535 9.414 -8.593 565 HE22 GLN 69 HE22 GLN 69 -0.472 11.124 -8.400 566 H ARG 70 H ARG 70 1.202 7.277 -9.014 567 HA ARG 70 HA ARG 70 1.604 4.568 -8.150 568 HB2 ARG 70 HB2 ARG 70 3.980 5.031 -8.704 569 HB3 ARG 70 HB3 ARG 70 2.865 5.262 -10.043 570 HG2 ARG 70 HG2 ARG 70 2.901 7.752 -9.222 571 HG3 ARG 70 HG3 ARG 70 4.440 7.257 -8.519 572 HD2 ARG 70 HD2 ARG 70 5.286 6.603 -10.618 573 HD3 ARG 70 HD3 ARG 70 3.694 6.754 -11.364 574 HE ARG 70 HE ARG 70 5.157 9.088 -10.301 575 HH11 ARG 70 HH11 ARG 70 3.399 7.497 -12.886 576 HH12 ARG 70 HH12 ARG 70 3.277 8.920 -13.854 577 HH21 ARG 70 HH21 ARG 70 4.983 10.986 -11.580 578 HH22 ARG 70 HH22 ARG 70 4.182 10.909 -13.111 579 H ILE 71 H ILE 71 2.055 3.992 -6.236 580 HA ILE 71 HA ILE 71 2.985 5.997 -4.295 581 HB ILE 71 HB ILE 71 1.316 3.512 -3.845 582 HG12 ILE 71 HG12 ILE 71 -0.204 5.303 -2.723 583 HG13 ILE 71 HG13 ILE 71 0.748 6.464 -3.636 584 HG21 ILE 71 HG21 ILE 71 1.350 4.006 -1.472 585 HG22 ILE 71 HG22 ILE 71 2.405 5.393 -1.755 586 HG23 ILE 71 HG23 ILE 71 2.990 3.759 -2.070 587 HD11 ILE 71 HD11 ILE 71 0.054 5.398 -5.719 588 HD12 ILE 71 HD12 ILE 71 -1.334 5.909 -4.765 589 HD13 ILE 71 HD13 ILE 71 -0.870 4.210 -4.803 590 H ALA 72 H ALA 72 5.199 5.729 -4.379 591 HA ALA 72 HA ALA 72 6.233 3.004 -4.166 592 HB1 ALA 72 HB1 ALA 72 7.220 4.462 -5.875 593 HB2 ALA 72 HB2 ALA 72 8.414 3.973 -4.674 594 HB3 ALA 72 HB3 ALA 72 7.720 5.593 -4.617 595 H ASP 73 H ASP 73 5.400 2.835 -2.022 596 HA ASP 73 HA ASP 73 5.409 2.895 0.260 597 HB2 ASP 73 HB2 ASP 73 7.213 1.775 1.071 598 HB3 ASP 73 HB3 ASP 73 7.509 1.581 -0.645 599 H ASN 74 H ASN 74 5.716 5.717 -0.914 600 HA ASN 74 HA ASN 74 6.495 6.926 1.613 601 HB2 ASN 74 HB2 ASN 74 8.076 8.449 0.774 602 HB3 ASN 74 HB3 ASN 74 8.503 6.917 0.028 603 HD21 ASN 74 HD21 ASN 74 8.235 6.661 -2.172 604 HD22 ASN 74 HD22 ASN 74 7.947 8.000 -3.226 605 H HIS 75 H HIS 75 4.622 6.965 -1.254 606 HA HIS 75 HA HIS 75 3.668 9.581 -1.181 607 HB2 HIS 75 HB2 HIS 75 3.183 7.357 -2.745 608 HB3 HIS 75 HB3 HIS 75 1.652 7.583 -1.906 609 HD1 HIS 75 HD1 HIS 75 2.832 8.308 -5.035 610 HD2 HIS 75 HD2 HIS 75 1.268 10.753 -2.053 611 HE1 HIS 75 HE1 HIS 75 2.021 10.368 -6.205 612 HE2 HIS 75 HE2 HIS 75 0.948 11.760 -4.418 613 H THR 76 H THR 76 1.771 10.429 -0.231 614 HA THR 76 HA THR 76 1.009 9.037 2.238 615 HB THR 76 HB THR 76 0.570 11.295 3.166 616 HG1 THR 76 HG1 THR 76 1.983 12.420 1.005 617 HG21 THR 76 HG21 THR 76 2.918 12.005 3.374 618 HG22 THR 76 HG22 THR 76 3.351 10.931 2.040 619 HG23 THR 76 HG23 THR 76 2.750 10.258 3.557 620 HA PRO 77 HA PRO 77 -3.235 9.022 0.967 621 HB2 PRO 77 HB2 PRO 77 -4.469 9.695 3.349 622 HB3 PRO 77 HB3 PRO 77 -3.890 8.075 2.955 623 HG2 PRO 77 HG2 PRO 77 -2.591 10.204 4.598 624 HG3 PRO 77 HG3 PRO 77 -2.656 8.454 4.877 625 HD2 PRO 77 HD2 PRO 77 -0.461 9.649 3.902 626 HD3 PRO 77 HD3 PRO 77 -0.951 8.025 3.375 627 H LYS 78 H LYS 78 -1.941 11.795 2.643 628 HA LYS 78 HA LYS 78 -4.156 13.540 2.121 629 HB2 LYS 78 HB2 LYS 78 -2.649 15.327 2.952 630 HB3 LYS 78 HB3 LYS 78 -2.708 13.953 4.039 631 HG2 LYS 78 HG2 LYS 78 -0.552 13.347 3.637 632 HG3 LYS 78 HG3 LYS 78 -0.556 14.001 2.000 633 HD2 LYS 78 HD2 LYS 78 -0.464 16.270 2.901 634 HD3 LYS 78 HD3 LYS 78 -0.484 15.630 4.545 635 HE2 LYS 78 HE2 LYS 78 1.627 14.498 4.160 636 HE3 LYS 78 HE3 LYS 78 1.630 15.025 2.479 637 HZ1 LYS 78 HZ1 LYS 78 1.784 17.308 3.230 638 HZ2 LYS 78 HZ2 LYS 78 3.064 16.398 3.850 639 HZ3 LYS 78 HZ3 LYS 78 1.765 16.814 4.845 640 H GLU 79 H GLU 79 -1.135 12.748 0.573 641 HA GLU 79 HA GLU 79 -1.178 14.949 -1.268 642 HB2 GLU 79 HB2 GLU 79 0.890 13.895 -0.439 643 HB3 GLU 79 HB3 GLU 79 0.440 12.407 -1.249 644 HG2 GLU 79 HG2 GLU 79 2.037 13.475 -2.622 645 HG3 GLU 79 HG3 GLU 79 0.471 13.691 -3.401 646 H LEU 80 H LEU 80 -2.265 11.643 -1.201 647 HA LEU 80 HA LEU 80 -2.639 11.428 -4.045 648 HB2 LEU 80 HB2 LEU 80 -3.639 9.754 -1.756 649 HB3 LEU 80 HB3 LEU 80 -3.822 9.340 -3.450 650 HG LEU 80 HG LEU 80 -1.115 9.778 -2.233 651 HD11 LEU 80 HD11 LEU 80 -0.983 7.378 -1.893 652 HD12 LEU 80 HD12 LEU 80 -2.680 7.213 -2.364 653 HD13 LEU 80 HD13 LEU 80 -2.246 8.109 -0.903 654 HD21 LEU 80 HD21 LEU 80 -0.416 8.355 -4.086 655 HD22 LEU 80 HD22 LEU 80 -1.280 9.775 -4.671 656 HD23 LEU 80 HD23 LEU 80 -2.091 8.209 -4.618 657 H GLY 81 H GLY 81 -4.396 12.844 -1.488 658 HA2 GLY 81 HA2 GLY 81 -6.389 14.004 -1.600 659 HA3 GLY 81 HA3 GLY 81 -6.498 13.560 -3.296 660 H MET 82 H MET 82 -6.103 11.013 -0.909 661 HA MET 82 HA MET 82 -8.747 10.106 -1.751 662 HB2 MET 82 HB2 MET 82 -8.055 7.858 -1.219 663 HB3 MET 82 HB3 MET 82 -6.863 8.590 -2.275 664 HG2 MET 82 HG2 MET 82 -5.459 9.030 -0.271 665 HG3 MET 82 HG3 MET 82 -6.631 8.124 0.686 666 HE1 MET 82 HE1 MET 82 -5.045 6.355 1.571 667 HE2 MET 82 HE2 MET 82 -3.650 7.143 0.828 668 HE3 MET 82 HE3 MET 82 -3.911 5.414 0.608 669 H GLU 83 H GLU 83 -9.847 8.692 -0.004 670 HA GLU 83 HA GLU 83 -9.650 10.147 2.557 671 HB2 GLU 83 HB2 GLU 83 -11.636 10.586 0.793 672 HB3 GLU 83 HB3 GLU 83 -12.306 9.192 1.625 673 HG2 GLU 83 HG2 GLU 83 -13.176 11.124 2.675 674 HG3 GLU 83 HG3 GLU 83 -11.987 10.441 3.778 675 H GLU 84 H GLU 84 -11.650 8.727 3.897 676 HA GLU 84 HA GLU 84 -10.314 6.292 4.470 677 HB2 GLU 84 HB2 GLU 84 -12.217 5.930 6.070 678 HB3 GLU 84 HB3 GLU 84 -11.325 7.417 6.305 679 HG2 GLU 84 HG2 GLU 84 -13.589 7.965 6.588 680 HG3 GLU 84 HG3 GLU 84 -13.142 8.582 5.001 681 H GLU 85 H GLU 85 -11.514 4.231 4.631 682 HA GLU 85 HA GLU 85 -12.185 2.409 3.515 683 HB2 GLU 85 HB2 GLU 85 -14.320 3.675 4.273 684 HB3 GLU 85 HB3 GLU 85 -14.545 3.969 2.555 685 HG2 GLU 85 HG2 GLU 85 -14.767 1.689 2.078 686 HG3 GLU 85 HG3 GLU 85 -14.107 1.217 3.646 687 H ASP 86 H ASP 86 -10.418 4.082 2.025 688 HA ASP 86 HA ASP 86 -11.424 4.187 -0.672 689 HB2 ASP 86 HB2 ASP 86 -9.464 5.529 0.766 690 HB3 ASP 86 HB3 ASP 86 -8.569 4.543 -0.385 691 H VAL 87 H VAL 87 -9.984 3.255 -2.423 692 HA VAL 87 HA VAL 87 -9.005 0.630 -1.584 693 HB VAL 87 HB VAL 87 -11.208 0.279 -2.563 694 HG11 VAL 87 HG11 VAL 87 -11.642 0.773 -4.939 695 HG12 VAL 87 HG12 VAL 87 -10.119 1.665 -5.002 696 HG13 VAL 87 HG13 VAL 87 -11.424 2.218 -3.954 697 HG21 VAL 87 HG21 VAL 87 -8.998 -0.635 -4.403 698 HG22 VAL 87 HG22 VAL 87 -10.615 -1.334 -4.317 699 HG23 VAL 87 HG23 VAL 87 -9.532 -1.443 -2.931 700 H ILE 88 H ILE 88 -7.151 0.037 -2.347 701 HA ILE 88 HA ILE 88 -5.847 1.690 -4.410 702 HB ILE 88 HB ILE 88 -4.433 0.088 -2.264 703 HG12 ILE 88 HG12 ILE 88 -5.741 1.938 -1.253 704 HG13 ILE 88 HG13 ILE 88 -4.007 2.176 -1.086 705 HG21 ILE 88 HG21 ILE 88 -3.106 0.441 -4.255 706 HG22 ILE 88 HG22 ILE 88 -2.463 1.391 -2.913 707 HG23 ILE 88 HG23 ILE 88 -3.414 2.176 -4.176 708 HD11 ILE 88 HD11 ILE 88 -5.182 4.240 -1.644 709 HD12 ILE 88 HD12 ILE 88 -5.756 3.505 -3.143 710 HD13 ILE 88 HD13 ILE 88 -4.030 3.776 -2.895 711 H GLU 89 H GLU 89 -4.494 0.569 -5.902 712 HA GLU 89 HA GLU 89 -5.386 -2.207 -6.311 713 HB2 GLU 89 HB2 GLU 89 -4.395 -0.448 -8.509 714 HB3 GLU 89 HB3 GLU 89 -5.520 -1.799 -8.586 715 HG2 GLU 89 HG2 GLU 89 -7.205 -0.424 -7.421 716 HG3 GLU 89 HG3 GLU 89 -6.070 0.915 -7.422 717 H VAL 90 H VAL 90 -3.836 -3.738 -6.553 718 HA VAL 90 HA VAL 90 -1.056 -2.784 -6.615 719 HB VAL 90 HB VAL 90 -2.107 -5.372 -5.443 720 HG11 VAL 90 HG11 VAL 90 0.689 -4.260 -5.506 721 HG12 VAL 90 HG12 VAL 90 0.104 -5.674 -6.381 722 HG13 VAL 90 HG13 VAL 90 0.171 -5.694 -4.620 723 HG21 VAL 90 HG21 VAL 90 -1.447 -4.423 -3.300 724 HG22 VAL 90 HG22 VAL 90 -2.659 -3.413 -4.095 725 HG23 VAL 90 HG23 VAL 90 -0.960 -2.936 -4.108 726 H TYR 91 H TYR 91 -0.190 -2.999 -8.520 727 HA TYR 91 HA TYR 91 -1.107 -5.136 -10.300 728 HB2 TYR 91 HB2 TYR 91 0.454 -2.615 -10.855 729 HB3 TYR 91 HB3 TYR 91 0.061 -3.828 -12.068 730 HD1 TYR 91 HD1 TYR 91 -1.293 -1.210 -9.881 731 HD2 TYR 91 HD2 TYR 91 -2.174 -4.018 -12.944 732 HE1 TYR 91 HE1 TYR 91 -3.440 -0.099 -10.266 733 HE2 TYR 91 HE2 TYR 91 -4.334 -2.919 -13.343 734 HH TYR 91 HH TYR 91 -5.148 0.124 -11.891 735 H GLN 92 H GLN 92 0.232 -6.639 -11.124 736 HA GLN 92 HA GLN 92 2.711 -7.058 -9.682 737 HB2 GLN 92 HB2 GLN 92 1.327 -8.962 -9.780 738 HB3 GLN 92 HB3 GLN 92 1.020 -8.760 -11.497 739 HG2 GLN 92 HG2 GLN 92 2.484 -10.651 -11.044 740 HG3 GLN 92 HG3 GLN 92 3.295 -9.411 -11.997 741 HE21 GLN 92 HE21 GLN 92 5.295 -10.155 -11.424 742 HE22 GLN 92 HE22 GLN 92 5.964 -9.896 -9.855 743 H GLU 93 H GLU 93 4.528 -6.260 -10.422 744 HA GLU 93 HA GLU 93 5.599 -6.780 -12.920 745 HB2 GLU 93 HB2 GLU 93 3.873 -5.163 -13.717 746 HB3 GLU 93 HB3 GLU 93 4.582 -3.935 -12.680 747 HG2 GLU 93 HG2 GLU 93 5.268 -3.716 -15.026 748 HG3 GLU 93 HG3 GLU 93 6.630 -3.987 -13.940 749 H GLN 94 H GLN 94 7.685 -6.155 -13.013 750 HA GLN 94 HA GLN 94 9.048 -5.926 -10.568 751 HB2 GLN 94 HB2 GLN 94 10.122 -6.880 -12.534 752 HB3 GLN 94 HB3 GLN 94 10.104 -5.313 -13.331 753 HG2 GLN 94 HG2 GLN 94 11.609 -4.418 -11.647 754 HG3 GLN 94 HG3 GLN 94 11.597 -5.964 -10.801 755 HE21 GLN 94 HE21 GLN 94 12.707 -4.236 -13.593 756 HE22 GLN 94 HE22 GLN 94 13.891 -5.393 -14.082 757 H THR 95 H THR 95 9.609 -4.297 -9.307 758 HA THR 95 HA THR 95 9.865 -1.610 -10.364 759 HB THR 95 HB THR 95 7.484 -1.777 -9.648 760 HG1 THR 95 HG1 THR 95 8.528 -0.186 -7.636 761 HG21 THR 95 HG21 THR 95 7.691 -3.471 -7.913 762 HG22 THR 95 HG22 THR 95 6.968 -2.010 -7.240 763 HG23 THR 95 HG23 THR 95 8.663 -2.377 -6.931 764 H GLY 96 H GLY 96 11.067 -0.218 -8.871 765 HA2 GLY 96 HA2 GLY 96 11.992 -0.286 -6.490 766 HA3 GLY 96 HA3 GLY 96 12.666 -1.829 -6.996 767 H GLY 97 H GLY 97 12.411 1.271 -8.690 768 HA2 GLY 97 HA2 GLY 97 15.213 1.802 -8.457 769 HA3 GLY 97 HA3 GLY 97 14.755 1.219 -10.055 Start of MODEL 18 1 H MET 1 H MET 1 -7.005 7.878 58.969 2 HA MET 1 HA MET 1 -4.949 6.594 59.341 3 HB2 MET 1 HB2 MET 1 -7.507 5.230 60.221 4 HB3 MET 1 HB3 MET 1 -5.935 5.040 60.974 5 HG2 MET 1 HG2 MET 1 -7.178 6.502 62.342 6 HG3 MET 1 HG3 MET 1 -5.994 7.493 61.493 7 HE1 MET 1 HE1 MET 1 -9.147 9.828 61.901 8 HE2 MET 1 HE2 MET 1 -7.432 9.637 62.254 9 HE3 MET 1 HE3 MET 1 -8.613 8.584 63.031 10 H SER 2 H SER 2 -3.988 5.686 57.511 11 HA SER 2 HA SER 2 -3.298 4.048 56.105 12 HB2 SER 2 HB2 SER 2 -4.911 2.180 57.861 13 HB3 SER 2 HB3 SER 2 -3.609 1.722 56.763 14 HG SER 2 HG SER 2 -2.679 3.614 58.364 15 H ASP 3 H ASP 3 -5.973 5.410 55.842 16 HA ASP 3 HA ASP 3 -7.044 3.661 53.752 17 HB2 ASP 3 HB2 ASP 3 -9.329 4.311 54.318 18 HB3 ASP 3 HB3 ASP 3 -8.560 3.566 55.712 19 H GLN 4 H GLN 4 -8.133 4.824 52.051 20 HA GLN 4 HA GLN 4 -7.761 7.689 51.923 21 HB2 GLN 4 HB2 GLN 4 -6.555 7.357 49.651 22 HB3 GLN 4 HB3 GLN 4 -5.623 7.220 51.132 23 HG2 GLN 4 HG2 GLN 4 -4.949 5.471 49.671 24 HG3 GLN 4 HG3 GLN 4 -5.868 4.755 50.990 25 HE21 GLN 4 HE21 GLN 4 -5.787 5.457 47.606 26 HE22 GLN 4 HE22 GLN 4 -7.127 4.465 47.158 27 H GLU 5 H GLU 5 -8.181 8.104 49.268 28 HA GLU 5 HA GLU 5 -10.720 6.737 48.823 29 HB2 GLU 5 HB2 GLU 5 -10.840 9.211 49.251 30 HB3 GLU 5 HB3 GLU 5 -9.918 9.453 47.773 31 HG2 GLU 5 HG2 GLU 5 -12.323 9.795 47.462 32 HG3 GLU 5 HG3 GLU 5 -11.684 8.495 46.458 33 H ALA 6 H ALA 6 -11.304 6.291 46.579 34 HA ALA 6 HA ALA 6 -9.102 5.074 45.241 35 HB1 ALA 6 HB1 ALA 6 -11.311 4.028 45.352 36 HB2 ALA 6 HB2 ALA 6 -10.775 4.248 43.685 37 HB3 ALA 6 HB3 ALA 6 -11.978 5.337 44.378 38 H LYS 7 H LYS 7 -8.774 5.298 42.900 39 HA LYS 7 HA LYS 7 -8.187 8.007 42.242 40 HB2 LYS 7 HB2 LYS 7 -7.361 6.961 40.063 41 HB3 LYS 7 HB3 LYS 7 -6.567 6.447 41.539 42 HG2 LYS 7 HG2 LYS 7 -6.849 4.478 40.295 43 HG3 LYS 7 HG3 LYS 7 -8.132 4.422 41.493 44 HD2 LYS 7 HD2 LYS 7 -9.071 3.746 39.408 45 HD3 LYS 7 HD3 LYS 7 -9.673 5.366 39.745 46 HE2 LYS 7 HE2 LYS 7 -9.044 5.186 37.418 47 HE3 LYS 7 HE3 LYS 7 -7.953 6.293 38.245 48 HZ1 LYS 7 HZ1 LYS 7 -6.743 4.813 36.785 49 HZ2 LYS 7 HZ2 LYS 7 -7.364 3.452 37.572 50 HZ3 LYS 7 HZ3 LYS 7 -6.320 4.502 38.387 51 HA PRO 8 HA PRO 8 -11.828 9.004 39.955 52 HB2 PRO 8 HB2 PRO 8 -10.896 11.011 38.398 53 HB3 PRO 8 HB3 PRO 8 -11.159 11.197 40.136 54 HG2 PRO 8 HG2 PRO 8 -8.609 10.703 38.648 55 HG3 PRO 8 HG3 PRO 8 -8.910 11.773 40.030 56 HD2 PRO 8 HD2 PRO 8 -7.761 9.304 40.248 57 HD3 PRO 8 HD3 PRO 8 -8.695 10.067 41.546 58 H SER 9 H SER 9 -9.685 9.908 37.385 59 HA SER 9 HA SER 9 -9.936 7.517 35.864 60 HB2 SER 9 HB2 SER 9 -11.354 8.579 34.051 61 HB3 SER 9 HB3 SER 9 -12.216 8.199 35.543 62 HG SER 9 HG SER 9 -11.276 10.731 34.668 63 H THR 10 H THR 10 -9.029 7.801 33.664 64 HA THR 10 HA THR 10 -7.160 10.056 33.560 65 HB THR 10 HB THR 10 -6.727 7.238 32.544 66 HG1 THR 10 HG1 THR 10 -5.338 8.625 34.598 67 HG21 THR 10 HG21 THR 10 -4.877 9.637 32.559 68 HG22 THR 10 HG22 THR 10 -5.612 8.908 31.132 69 HG23 THR 10 HG23 THR 10 -4.432 7.999 32.075 70 H GLU 11 H GLU 11 -7.625 11.402 31.958 71 HA GLU 11 HA GLU 11 -8.987 10.337 29.584 72 HB2 GLU 11 HB2 GLU 11 -9.786 12.644 29.216 73 HB3 GLU 11 HB3 GLU 11 -10.300 11.993 30.761 74 HG2 GLU 11 HG2 GLU 11 -8.526 13.252 31.878 75 HG3 GLU 11 HG3 GLU 11 -8.033 13.920 30.322 76 H ASP 12 H ASP 12 -8.481 12.696 28.013 77 HA ASP 12 HA ASP 12 -6.151 11.963 26.680 78 HB2 ASP 12 HB2 ASP 12 -7.895 14.388 26.609 79 HB3 ASP 12 HB3 ASP 12 -6.388 14.372 25.704 80 H LEU 13 H LEU 13 -4.339 13.403 26.213 81 HA LEU 13 HA LEU 13 -3.172 14.267 28.753 82 HB2 LEU 13 HB2 LEU 13 -1.018 14.380 27.307 83 HB3 LEU 13 HB3 LEU 13 -1.638 12.826 27.823 84 HG LEU 13 HG LEU 13 -2.780 12.808 25.468 85 HD11 LEU 13 HD11 LEU 13 -0.507 14.714 24.985 86 HD12 LEU 13 HD12 LEU 13 -2.221 15.108 24.884 87 HD13 LEU 13 HD13 LEU 13 -1.513 13.957 23.752 88 HD21 LEU 13 HD21 LEU 13 -0.783 11.742 24.525 89 HD22 LEU 13 HD22 LEU 13 -1.095 11.225 26.181 90 HD23 LEU 13 HD23 LEU 13 0.179 12.399 25.849 91 H GLY 14 H GLY 14 -3.994 15.443 25.602 92 HA2 GLY 14 HA2 GLY 14 -4.906 17.631 25.334 93 HA3 GLY 14 HA3 GLY 14 -4.031 18.135 26.766 94 H ASP 15 H ASP 15 -1.491 16.942 25.769 95 HA ASP 15 HA ASP 15 -0.362 19.184 24.596 96 HB2 ASP 15 HB2 ASP 15 0.583 16.318 24.437 97 HB3 ASP 15 HB3 ASP 15 1.541 17.704 23.935 98 H LYS 16 H LYS 16 -1.652 16.308 23.004 99 HA LYS 16 HA LYS 16 -1.750 17.858 20.545 100 HB2 LYS 16 HB2 LYS 16 -0.951 15.952 19.228 101 HB3 LYS 16 HB3 LYS 16 0.274 16.549 20.338 102 HG2 LYS 16 HG2 LYS 16 -0.229 14.705 21.874 103 HG3 LYS 16 HG3 LYS 16 -1.441 14.102 20.743 104 HD2 LYS 16 HD2 LYS 16 1.509 14.397 20.182 105 HD3 LYS 16 HD3 LYS 16 0.674 12.885 20.535 106 HE2 LYS 16 HE2 LYS 16 -0.709 13.200 18.524 107 HE3 LYS 16 HE3 LYS 16 0.161 14.692 18.171 108 HZ1 LYS 16 HZ1 LYS 16 1.027 12.872 16.885 109 HZ2 LYS 16 HZ2 LYS 16 1.341 11.979 18.282 110 HZ3 LYS 16 HZ3 LYS 16 2.193 13.410 17.981 111 H LYS 17 H LYS 17 -3.419 17.376 19.212 112 HA LYS 17 HA LYS 17 -5.237 15.193 19.927 113 HB2 LYS 17 HB2 LYS 17 -7.184 16.751 19.675 114 HB3 LYS 17 HB3 LYS 17 -6.194 17.055 21.097 115 HG2 LYS 17 HG2 LYS 17 -5.179 18.952 20.096 116 HG3 LYS 17 HG3 LYS 17 -5.869 18.568 18.520 117 HD2 LYS 17 HD2 LYS 17 -7.492 19.268 20.960 118 HD3 LYS 17 HD3 LYS 17 -6.998 20.429 19.725 119 HE2 LYS 17 HE2 LYS 17 -8.173 19.030 18.031 120 HE3 LYS 17 HE3 LYS 17 -8.757 18.006 19.339 121 HZ1 LYS 17 HZ1 LYS 17 -9.349 20.894 18.989 122 HZ2 LYS 17 HZ2 LYS 17 -9.869 19.941 20.283 123 HZ3 LYS 17 HZ3 LYS 17 -10.419 19.611 18.726 124 H GLU 18 H GLU 18 -4.099 17.517 17.637 125 HA GLU 18 HA GLU 18 -5.817 16.767 15.509 126 HB2 GLU 18 HB2 GLU 18 -4.220 18.094 14.103 127 HB3 GLU 18 HB3 GLU 18 -4.949 18.955 15.447 128 HG2 GLU 18 HG2 GLU 18 -2.750 18.240 16.684 129 HG3 GLU 18 HG3 GLU 18 -2.134 18.102 15.040 130 H GLY 19 H GLY 19 -5.771 14.681 15.028 131 HA2 GLY 19 HA2 GLY 19 -3.977 13.735 13.141 132 HA3 GLY 19 HA3 GLY 19 -3.441 13.114 14.697 133 H GLU 20 H GLU 20 -6.009 13.083 12.313 134 HA GLU 20 HA GLU 20 -7.476 11.080 13.810 135 HB2 GLU 20 HB2 GLU 20 -9.158 11.319 12.004 136 HB3 GLU 20 HB3 GLU 20 -8.808 12.835 12.817 137 HG2 GLU 20 HG2 GLU 20 -7.458 12.099 10.240 138 HG3 GLU 20 HG3 GLU 20 -9.054 12.841 10.262 139 H TYR 21 H TYR 21 -8.017 9.060 12.895 140 HA TYR 21 HA TYR 21 -6.074 8.141 10.884 141 HB2 TYR 21 HB2 TYR 21 -7.392 6.356 12.923 142 HB3 TYR 21 HB3 TYR 21 -5.975 6.036 11.926 143 HD1 TYR 21 HD1 TYR 21 -4.408 8.537 12.430 144 HD2 TYR 21 HD2 TYR 21 -6.605 6.061 15.101 145 HE1 TYR 21 HE1 TYR 21 -2.973 9.266 14.280 146 HE2 TYR 21 HE2 TYR 21 -5.176 6.794 16.961 147 HH TYR 21 HH TYR 21 -2.953 7.718 17.304 148 H ILE 22 H ILE 22 -6.821 6.868 9.191 149 HA ILE 22 HA ILE 22 -9.721 6.452 9.095 150 HB ILE 22 HB ILE 22 -9.461 6.672 6.615 151 HG12 ILE 22 HG12 ILE 22 -6.914 8.142 7.171 152 HG13 ILE 22 HG13 ILE 22 -6.892 6.407 6.876 153 HG21 ILE 22 HG21 ILE 22 -8.831 9.113 8.276 154 HG22 ILE 22 HG22 ILE 22 -10.436 8.464 7.938 155 HG23 ILE 22 HG23 ILE 22 -9.462 9.132 6.629 156 HD11 ILE 22 HD11 ILE 22 -7.977 6.759 4.744 157 HD12 ILE 22 HD12 ILE 22 -6.442 7.629 4.861 158 HD13 ILE 22 HD13 ILE 22 -7.972 8.504 5.029 159 H LYS 23 H LYS 23 -10.308 4.675 7.619 160 HA LYS 23 HA LYS 23 -8.253 2.574 7.608 161 HB2 LYS 23 HB2 LYS 23 -10.201 0.951 7.756 162 HB3 LYS 23 HB3 LYS 23 -9.890 1.901 9.198 163 HG2 LYS 23 HG2 LYS 23 -12.157 2.101 9.105 164 HG3 LYS 23 HG3 LYS 23 -11.716 3.487 8.112 165 HD2 LYS 23 HD2 LYS 23 -11.890 1.895 6.121 166 HD3 LYS 23 HD3 LYS 23 -12.696 0.785 7.229 167 HE2 LYS 23 HE2 LYS 23 -13.573 3.588 6.541 168 HE3 LYS 23 HE3 LYS 23 -14.320 2.094 5.981 169 HZ1 LYS 23 HZ1 LYS 23 -14.218 3.079 8.783 170 HZ2 LYS 23 HZ2 LYS 23 -14.847 1.577 8.318 171 HZ3 LYS 23 HZ3 LYS 23 -15.580 3.003 7.784 172 H LEU 24 H LEU 24 -7.752 1.693 5.721 173 HA LEU 24 HA LEU 24 -9.538 2.227 3.457 174 HB2 LEU 24 HB2 LEU 24 -6.537 2.245 3.209 175 HB3 LEU 24 HB3 LEU 24 -7.720 2.722 2.020 176 HG LEU 24 HG LEU 24 -8.343 4.553 3.771 177 HD11 LEU 24 HD11 LEU 24 -6.942 3.715 5.568 178 HD12 LEU 24 HD12 LEU 24 -6.406 5.317 5.057 179 HD13 LEU 24 HD13 LEU 24 -5.510 3.885 4.553 180 HD21 LEU 24 HD21 LEU 24 -7.468 4.988 1.560 181 HD22 LEU 24 HD22 LEU 24 -5.835 4.629 2.121 182 HD23 LEU 24 HD23 LEU 24 -6.693 6.039 2.746 183 H LYS 25 H LYS 25 -8.405 0.867 1.453 184 HA LYS 25 HA LYS 25 -7.827 -1.824 2.350 185 HB2 LYS 25 HB2 LYS 25 -10.224 -1.838 2.529 186 HB3 LYS 25 HB3 LYS 25 -10.401 -1.067 0.974 187 HG2 LYS 25 HG2 LYS 25 -9.068 -3.723 1.054 188 HG3 LYS 25 HG3 LYS 25 -10.806 -3.665 1.342 189 HD2 LYS 25 HD2 LYS 25 -9.366 -2.561 -1.073 190 HD3 LYS 25 HD3 LYS 25 -10.302 -4.056 -1.020 191 HE2 LYS 25 HE2 LYS 25 -11.390 -1.288 -0.508 192 HE3 LYS 25 HE3 LYS 25 -11.563 -2.190 -2.010 193 HZ1 LYS 25 HZ1 LYS 25 -12.787 -3.885 -0.772 194 HZ2 LYS 25 HZ2 LYS 25 -13.546 -2.385 -0.686 195 HZ3 LYS 25 HZ3 LYS 25 -12.671 -2.963 0.640 196 H VAL 26 H VAL 26 -6.856 -3.070 0.737 197 HA VAL 26 HA VAL 26 -6.567 -1.814 -1.898 198 HB VAL 26 HB VAL 26 -4.207 -1.910 -1.976 199 HG11 VAL 26 HG11 VAL 26 -3.416 -0.543 -0.152 200 HG12 VAL 26 HG12 VAL 26 -4.805 -1.009 0.829 201 HG13 VAL 26 HG13 VAL 26 -5.043 -0.035 -0.617 202 HG21 VAL 26 HG21 VAL 26 -3.845 -4.075 -1.027 203 HG22 VAL 26 HG22 VAL 26 -4.285 -3.488 0.577 204 HG23 VAL 26 HG23 VAL 26 -2.812 -2.910 -0.199 205 H ILE 27 H ILE 27 -6.394 -3.268 -3.586 206 HA ILE 27 HA ILE 27 -6.412 -6.114 -2.828 207 HB ILE 27 HB ILE 27 -7.913 -4.814 -5.114 208 HG12 ILE 27 HG12 ILE 27 -9.126 -5.955 -2.615 209 HG13 ILE 27 HG13 ILE 27 -8.670 -4.260 -2.731 210 HG21 ILE 27 HG21 ILE 27 -9.055 -6.984 -5.278 211 HG22 ILE 27 HG22 ILE 27 -8.030 -7.614 -3.988 212 HG23 ILE 27 HG23 ILE 27 -7.317 -7.144 -5.531 213 HD11 ILE 27 HD11 ILE 27 -11.037 -4.604 -3.184 214 HD12 ILE 27 HD12 ILE 27 -10.629 -5.674 -4.529 215 HD13 ILE 27 HD13 ILE 27 -10.190 -3.965 -4.591 216 H GLY 28 H GLY 28 -5.217 -7.474 -4.106 217 HA2 GLY 28 HA2 GLY 28 -3.671 -6.172 -6.257 218 HA3 GLY 28 HA3 GLY 28 -2.969 -7.370 -5.172 219 H GLN 29 H GLN 29 -2.545 -7.990 -7.611 220 HA GLN 29 HA GLN 29 -4.612 -9.294 -9.047 221 HB2 GLN 29 HB2 GLN 29 -2.916 -10.053 -10.525 222 HB3 GLN 29 HB3 GLN 29 -2.438 -8.455 -9.980 223 HG2 GLN 29 HG2 GLN 29 -1.341 -11.044 -8.913 224 HG3 GLN 29 HG3 GLN 29 -0.551 -10.033 -10.113 225 HE21 GLN 29 HE21 GLN 29 -1.075 -10.618 -6.821 226 HE22 GLN 29 HE22 GLN 29 -0.172 -9.279 -6.190 227 H ASP 30 H ASP 30 -3.135 -10.146 -6.223 228 HA ASP 30 HA ASP 30 -3.033 -12.999 -6.637 229 HB2 ASP 30 HB2 ASP 30 -1.491 -11.740 -5.096 230 HB3 ASP 30 HB3 ASP 30 -2.869 -11.445 -4.046 231 H SER 31 H SER 31 -5.487 -10.833 -6.233 232 HA SER 31 HA SER 31 -7.698 -10.982 -5.766 233 HB2 SER 31 HB2 SER 31 -7.178 -13.933 -5.262 234 HB3 SER 31 HB3 SER 31 -8.768 -13.180 -5.388 235 HG SER 31 HG SER 31 -6.851 -13.666 -7.383 236 H SER 32 H SER 32 -5.364 -10.885 -3.774 237 HA SER 32 HA SER 32 -6.890 -11.360 -1.338 238 HB2 SER 32 HB2 SER 32 -4.676 -12.412 -1.418 239 HB3 SER 32 HB3 SER 32 -3.935 -10.851 -1.753 240 HG SER 32 HG SER 32 -4.921 -11.892 0.621 241 H GLU 33 H GLU 33 -6.826 -9.699 0.283 242 HA GLU 33 HA GLU 33 -6.119 -7.036 -0.584 243 HB2 GLU 33 HB2 GLU 33 -8.328 -6.115 -0.089 244 HB3 GLU 33 HB3 GLU 33 -8.418 -7.309 -1.376 245 HG2 GLU 33 HG2 GLU 33 -9.345 -8.933 0.088 246 HG3 GLU 33 HG3 GLU 33 -9.047 -7.908 1.489 247 H ILE 34 H ILE 34 -6.218 -5.510 1.182 248 HA ILE 34 HA ILE 34 -6.401 -6.731 3.832 249 HB ILE 34 HB ILE 34 -4.007 -6.836 3.204 250 HG12 ILE 34 HG12 ILE 34 -4.269 -4.755 5.337 251 HG13 ILE 34 HG13 ILE 34 -4.965 -6.355 5.582 252 HG21 ILE 34 HG21 ILE 34 -3.818 -4.937 1.766 253 HG22 ILE 34 HG22 ILE 34 -2.725 -4.711 3.132 254 HG23 ILE 34 HG23 ILE 34 -4.259 -3.840 3.073 255 HD11 ILE 34 HD11 ILE 34 -2.787 -7.345 5.262 256 HD12 ILE 34 HD12 ILE 34 -2.764 -6.162 6.571 257 HD13 ILE 34 HD13 ILE 34 -2.085 -5.749 4.993 258 H HIS 35 H HIS 35 -7.010 -5.377 5.460 259 HA HIS 35 HA HIS 35 -7.793 -2.646 4.668 260 HB2 HIS 35 HB2 HIS 35 -8.947 -4.398 6.861 261 HB3 HIS 35 HB3 HIS 35 -9.482 -2.776 6.464 262 HD1 HIS 35 HD1 HIS 35 -11.832 -4.132 6.251 263 HD2 HIS 35 HD2 HIS 35 -9.014 -4.787 3.271 264 HE1 HIS 35 HE1 HIS 35 -13.097 -5.152 4.337 265 HE2 HIS 35 HE2 HIS 35 -11.327 -5.730 2.628 266 H PHE 36 H PHE 36 -7.008 -0.990 5.916 267 HA PHE 36 HA PHE 36 -5.670 -1.632 8.428 268 HB2 PHE 36 HB2 PHE 36 -3.680 -0.197 7.624 269 HB3 PHE 36 HB3 PHE 36 -3.770 -1.858 7.067 270 HD1 PHE 36 HD1 PHE 36 -4.494 1.646 6.070 271 HD2 PHE 36 HD2 PHE 36 -3.829 -2.364 4.807 272 HE1 PHE 36 HE1 PHE 36 -4.376 2.401 3.738 273 HE2 PHE 36 HE2 PHE 36 -3.709 -1.613 2.481 274 HZ PHE 36 HZ PHE 36 -3.988 0.775 1.939 275 HH31 ALY 37 HH31 ALY 37 -3.141 -4.418 13.993 276 HH32 ALY 37 HH32 ALY 37 -2.977 -3.206 12.708 277 HH33 ALY 37 HH33 ALY 37 -4.212 -4.477 12.600 278 HZ ALY 37 HZ ALY 37 -5.887 -2.547 12.483 279 HE3 ALY 37 HE3 ALY 37 -5.820 -0.379 14.194 280 HE2 ALY 37 HE2 ALY 37 -4.330 -0.352 13.249 281 HD3 ALY 37 HD3 ALY 37 -5.632 -0.390 11.190 282 HD2 ALY 37 HD2 ALY 37 -7.123 -0.440 12.129 283 HG3 ALY 37 HG3 ALY 37 -6.594 1.722 13.111 284 HG2 ALY 37 HG2 ALY 37 -5.086 1.767 12.201 285 HB3 ALY 37 HB3 ALY 37 -7.758 1.517 10.846 286 HB2 ALY 37 HB2 ALY 37 -7.095 3.077 11.291 287 HCA ALY 37 HCA ALY 37 -6.668 2.591 8.923 288 H ALY 37 H ALY 37 -5.187 0.206 9.722 289 H VAL 38 H VAL 38 -5.434 4.209 8.470 290 HA VAL 38 HA VAL 38 -2.823 4.405 9.798 291 HB VAL 38 HB VAL 38 -1.891 5.379 7.755 292 HG11 VAL 38 HG11 VAL 38 -3.223 2.724 7.258 293 HG12 VAL 38 HG12 VAL 38 -1.690 2.983 8.084 294 HG13 VAL 38 HG13 VAL 38 -1.841 3.365 6.368 295 HG21 VAL 38 HG21 VAL 38 -3.145 5.324 5.641 296 HG22 VAL 38 HG22 VAL 38 -3.906 6.383 6.828 297 HG23 VAL 38 HG23 VAL 38 -4.578 4.783 6.516 298 H LYS 39 H LYS 39 -2.001 6.795 9.120 299 HA LYS 39 HA LYS 39 -3.973 8.536 10.403 300 HB2 LYS 39 HB2 LYS 39 -1.057 9.025 9.777 301 HB3 LYS 39 HB3 LYS 39 -2.101 10.110 10.679 302 HG2 LYS 39 HG2 LYS 39 -2.338 8.473 12.437 303 HG3 LYS 39 HG3 LYS 39 -1.379 7.314 11.516 304 HD2 LYS 39 HD2 LYS 39 0.565 8.729 11.680 305 HD3 LYS 39 HD3 LYS 39 -0.383 9.998 12.460 306 HE2 LYS 39 HE2 LYS 39 0.937 8.740 14.089 307 HE3 LYS 39 HE3 LYS 39 -0.791 8.542 14.369 308 HZ1 LYS 39 HZ1 LYS 39 0.422 6.453 14.567 309 HZ2 LYS 39 HZ2 LYS 39 0.947 6.580 12.968 310 HZ3 LYS 39 HZ3 LYS 39 -0.697 6.388 13.304 311 H MET 40 H MET 40 -4.405 10.673 9.520 312 HA MET 40 HA MET 40 -5.035 10.761 6.822 313 HB2 MET 40 HB2 MET 40 -5.947 12.339 8.474 314 HB3 MET 40 HB3 MET 40 -4.369 13.084 8.639 315 HG2 MET 40 HG2 MET 40 -5.622 14.534 7.278 316 HG3 MET 40 HG3 MET 40 -4.531 13.690 6.189 317 HE1 MET 40 HE1 MET 40 -5.191 12.401 4.209 318 HE2 MET 40 HE2 MET 40 -6.774 11.708 3.864 319 HE3 MET 40 HE3 MET 40 -5.779 11.029 5.147 320 H THR 41 H THR 41 -2.202 11.986 8.451 321 HA THR 41 HA THR 41 -0.840 12.021 5.841 322 HB THR 41 HB THR 41 0.586 13.801 6.689 323 HG1 THR 41 HG1 THR 41 0.527 14.426 8.804 324 HG21 THR 41 HG21 THR 41 -1.759 14.313 5.853 325 HG22 THR 41 HG22 THR 41 -1.030 15.553 6.874 326 HG23 THR 41 HG23 THR 41 -2.235 14.443 7.539 327 H THR 42 H THR 42 0.539 10.325 5.637 328 HA THR 42 HA THR 42 2.521 9.676 7.532 329 HB THR 42 HB THR 42 0.461 8.718 8.657 330 HG1 THR 42 HG1 THR 42 2.459 7.887 9.219 331 HG21 THR 42 HG21 THR 42 -0.708 7.928 6.667 332 HG22 THR 42 HG22 THR 42 -0.409 6.590 7.776 333 HG23 THR 42 HG23 THR 42 0.595 6.784 6.340 334 H HIS 43 H HIS 43 3.583 7.472 6.863 335 HA HIS 43 HA HIS 43 3.770 7.482 3.955 336 HB2 HIS 43 HB2 HIS 43 5.438 6.110 6.068 337 HB3 HIS 43 HB3 HIS 43 5.687 5.892 4.343 338 HD1 HIS 43 HD1 HIS 43 7.124 7.658 6.983 339 HD2 HIS 43 HD2 HIS 43 5.967 8.739 3.141 340 HE1 HIS 43 HE1 HIS 43 8.451 9.711 6.431 341 HE2 HIS 43 HE2 HIS 43 7.583 10.456 4.192 342 H LEU 44 H LEU 44 2.970 5.957 2.680 343 HA LEU 44 HA LEU 44 1.215 3.978 3.759 344 HB2 LEU 44 HB2 LEU 44 2.144 4.398 0.921 345 HB3 LEU 44 HB3 LEU 44 0.840 3.335 1.409 346 HG LEU 44 HG LEU 44 0.906 6.340 1.586 347 HD11 LEU 44 HD11 LEU 44 0.417 5.546 -0.618 348 HD12 LEU 44 HD12 LEU 44 -1.067 6.159 0.110 349 HD13 LEU 44 HD13 LEU 44 -0.788 4.421 0.005 350 HD21 LEU 44 HD21 LEU 44 -1.396 6.161 2.478 351 HD22 LEU 44 HD22 LEU 44 -0.186 5.506 3.579 352 HD23 LEU 44 HD23 LEU 44 -1.183 4.416 2.616 353 H LYS 45 H LYS 45 4.511 3.970 3.310 354 HA LYS 45 HA LYS 45 5.060 1.407 2.358 355 HB2 LYS 45 HB2 LYS 45 6.670 3.333 2.747 356 HB3 LYS 45 HB3 LYS 45 6.668 2.882 4.441 357 HG2 LYS 45 HG2 LYS 45 7.333 0.831 2.388 358 HG3 LYS 45 HG3 LYS 45 8.537 2.039 2.822 359 HD2 LYS 45 HD2 LYS 45 7.149 0.179 4.752 360 HD3 LYS 45 HD3 LYS 45 8.779 -0.047 4.116 361 HE2 LYS 45 HE2 LYS 45 9.391 2.158 5.100 362 HE3 LYS 45 HE3 LYS 45 7.797 2.218 5.843 363 HZ1 LYS 45 HZ1 LYS 45 9.884 0.182 6.337 364 HZ2 LYS 45 HZ2 LYS 45 8.327 0.147 7.007 365 HZ3 LYS 45 HZ3 LYS 45 9.397 1.405 7.400 366 H LYS 46 H LYS 46 3.991 2.514 5.499 367 HA LYS 46 HA LYS 46 4.654 0.194 6.964 368 HB2 LYS 46 HB2 LYS 46 3.153 1.032 8.686 369 HB3 LYS 46 HB3 LYS 46 4.124 2.349 8.048 370 HG2 LYS 46 HG2 LYS 46 2.112 3.397 8.084 371 HG3 LYS 46 HG3 LYS 46 1.979 2.641 6.495 372 HD2 LYS 46 HD2 LYS 46 -0.047 2.067 7.437 373 HD3 LYS 46 HD3 LYS 46 0.930 0.658 7.832 374 HE2 LYS 46 HE2 LYS 46 0.462 2.990 9.700 375 HE3 LYS 46 HE3 LYS 46 -0.473 1.500 9.723 376 HZ1 LYS 46 HZ1 LYS 46 1.605 0.296 10.195 377 HZ2 LYS 46 HZ2 LYS 46 1.230 1.420 11.392 378 HZ3 LYS 46 HZ3 LYS 46 2.443 1.760 10.269 379 H LEU 47 H LEU 47 1.942 0.977 4.861 380 HA LEU 47 HA LEU 47 0.387 -1.263 5.762 381 HB2 LEU 47 HB2 LEU 47 -1.253 -0.650 4.216 382 HB3 LEU 47 HB3 LEU 47 -0.567 0.868 4.745 383 HG LEU 47 HG LEU 47 0.906 0.537 2.558 384 HD11 LEU 47 HD11 LEU 47 -0.039 -1.623 1.959 385 HD12 LEU 47 HD12 LEU 47 -0.424 -0.406 0.742 386 HD13 LEU 47 HD13 LEU 47 -1.654 -0.913 1.901 387 HD21 LEU 47 HD21 LEU 47 -0.759 1.907 1.375 388 HD22 LEU 47 HD22 LEU 47 -0.437 2.451 3.022 389 HD23 LEU 47 HD23 LEU 47 -1.916 1.556 2.662 390 H LYS 48 H LYS 48 2.782 -0.606 3.322 391 HA LYS 48 HA LYS 48 2.423 -2.901 1.719 392 HB2 LYS 48 HB2 LYS 48 4.715 -1.095 2.310 393 HB3 LYS 48 HB3 LYS 48 5.087 -2.659 1.611 394 HG2 LYS 48 HG2 LYS 48 4.952 -1.086 -0.144 395 HG3 LYS 48 HG3 LYS 48 3.522 -2.117 -0.249 396 HD2 LYS 48 HD2 LYS 48 2.156 -0.411 0.726 397 HD3 LYS 48 HD3 LYS 48 3.570 0.597 1.068 398 HE2 LYS 48 HE2 LYS 48 2.260 -0.024 -1.547 399 HE3 LYS 48 HE3 LYS 48 2.705 1.541 -0.870 400 HZ1 LYS 48 HZ1 LYS 48 4.500 -0.503 -2.044 401 HZ2 LYS 48 HZ2 LYS 48 5.087 0.774 -1.122 402 HZ3 LYS 48 HZ3 LYS 48 4.260 1.088 -2.577 403 H GLU 49 H GLU 49 4.602 -2.353 4.500 404 HA GLU 49 HA GLU 49 5.499 -4.923 4.841 405 HB2 GLU 49 HB2 GLU 49 4.818 -2.967 7.033 406 HB3 GLU 49 HB3 GLU 49 5.955 -4.309 7.134 407 HG2 GLU 49 HG2 GLU 49 7.259 -3.219 5.327 408 HG3 GLU 49 HG3 GLU 49 6.201 -1.823 5.479 409 H SER 50 H SER 50 2.678 -3.396 6.334 410 HA SER 50 HA SER 50 1.728 -5.531 7.798 411 HB2 SER 50 HB2 SER 50 0.820 -3.216 7.888 412 HB3 SER 50 HB3 SER 50 0.052 -3.481 6.324 413 HG SER 50 HG SER 50 -0.462 -5.336 8.338 414 H TYR 51 H TYR 51 1.469 -4.926 4.365 415 HA TYR 51 HA TYR 51 -0.506 -6.951 3.874 416 HB2 TYR 51 HB2 TYR 51 0.038 -4.898 2.401 417 HB3 TYR 51 HB3 TYR 51 1.388 -5.849 1.801 418 HD1 TYR 51 HD1 TYR 51 0.479 -8.441 1.280 419 HD2 TYR 51 HD2 TYR 51 -1.728 -4.832 0.930 420 HE1 TYR 51 HE1 TYR 51 -1.008 -9.521 -0.351 421 HE2 TYR 51 HE2 TYR 51 -3.236 -5.914 -0.711 422 HH TYR 51 HH TYR 51 -3.374 -9.208 -1.145 423 H CYS 52 H CYS 52 3.026 -6.729 3.412 424 HA CYS 52 HA CYS 52 3.348 -9.348 2.404 425 HB2 CYS 52 HB2 CYS 52 5.100 -7.852 1.935 426 HB3 CYS 52 HB3 CYS 52 5.237 -7.312 3.594 427 HG CYS 52 HG CYS 52 6.511 -9.595 4.505 428 H GLN 53 H GLN 53 3.343 -8.014 5.636 429 HA GLN 53 HA GLN 53 4.342 -10.373 6.905 430 HB2 GLN 53 HB2 GLN 53 2.858 -8.003 8.046 431 HB3 GLN 53 HB3 GLN 53 3.667 -9.245 8.997 432 HG2 GLN 53 HG2 GLN 53 5.074 -7.555 6.965 433 HG3 GLN 53 HG3 GLN 53 4.936 -7.080 8.656 434 HE21 GLN 53 HE21 GLN 53 6.060 -8.295 10.203 435 HE22 GLN 53 HE22 GLN 53 7.365 -9.342 9.777 436 H ARG 54 H ARG 54 1.164 -9.143 6.116 437 HA ARG 54 HA ARG 54 -0.222 -11.077 7.745 438 HB2 ARG 54 HB2 ARG 54 -0.997 -8.718 7.154 439 HB3 ARG 54 HB3 ARG 54 -1.395 -9.367 5.572 440 HG2 ARG 54 HG2 ARG 54 -3.404 -9.400 6.749 441 HG3 ARG 54 HG3 ARG 54 -2.826 -11.066 6.824 442 HD2 ARG 54 HD2 ARG 54 -3.693 -10.205 8.992 443 HD3 ARG 54 HD3 ARG 54 -2.017 -10.747 9.062 444 HE ARG 54 HE ARG 54 -1.316 -8.542 9.312 445 HH11 ARG 54 HH11 ARG 54 -4.815 -8.705 8.963 446 HH12 ARG 54 HH12 ARG 54 -5.060 -7.076 9.487 447 HH21 ARG 54 HH21 ARG 54 -1.667 -6.380 10.010 448 HH22 ARG 54 HH22 ARG 54 -3.281 -5.757 10.074 449 H GLN 55 H GLN 55 0.202 -10.496 4.260 450 HA GLN 55 HA GLN 55 -1.152 -13.004 3.658 451 HB2 GLN 55 HB2 GLN 55 -0.325 -10.629 2.048 452 HB3 GLN 55 HB3 GLN 55 -0.685 -12.146 1.236 453 HG2 GLN 55 HG2 GLN 55 -2.659 -10.848 1.182 454 HG3 GLN 55 HG3 GLN 55 -2.917 -12.118 2.371 455 HE21 GLN 55 HE21 GLN 55 -1.018 -9.206 2.913 456 HE22 GLN 55 HE22 GLN 55 -2.103 -8.507 4.062 457 H GLY 56 H GLY 56 2.031 -11.911 4.050 458 HA2 GLY 56 HA2 GLY 56 4.054 -12.917 3.718 459 HA3 GLY 56 HA3 GLY 56 3.172 -14.427 3.534 460 H VAL 57 H VAL 57 2.783 -11.612 1.473 461 HA VAL 57 HA VAL 57 3.953 -13.167 -0.724 462 HB VAL 57 HB VAL 57 2.478 -11.849 -2.261 463 HG11 VAL 57 HG11 VAL 57 1.055 -13.458 -0.143 464 HG12 VAL 57 HG12 VAL 57 1.853 -14.099 -1.579 465 HG13 VAL 57 HG13 VAL 57 0.420 -13.084 -1.745 466 HG21 VAL 57 HG21 VAL 57 0.534 -10.685 -1.309 467 HG22 VAL 57 HG22 VAL 57 2.061 -9.928 -0.846 468 HG23 VAL 57 HG23 VAL 57 1.193 -10.935 0.310 469 HA PRO 58 HA PRO 58 7.063 -10.147 -1.207 470 HB2 PRO 58 HB2 PRO 58 7.468 -10.223 -3.905 471 HB3 PRO 58 HB3 PRO 58 8.039 -11.470 -2.789 472 HG2 PRO 58 HG2 PRO 58 5.595 -11.447 -4.516 473 HG3 PRO 58 HG3 PRO 58 6.740 -12.764 -4.207 474 HD2 PRO 58 HD2 PRO 58 4.351 -12.635 -2.978 475 HD3 PRO 58 HD3 PRO 58 5.792 -13.281 -2.169 476 H MET 59 H MET 59 6.332 -8.163 -0.727 477 HA MET 59 HA MET 59 4.463 -6.699 -2.272 478 HB2 MET 59 HB2 MET 59 6.226 -6.012 0.041 479 HB3 MET 59 HB3 MET 59 5.340 -4.747 -0.805 480 HG2 MET 59 HG2 MET 59 4.141 -7.175 0.496 481 HG3 MET 59 HG3 MET 59 4.161 -5.549 1.177 482 HE1 MET 59 HE1 MET 59 1.897 -8.035 -0.525 483 HE2 MET 59 HE2 MET 59 3.069 -7.768 -1.807 484 HE3 MET 59 HE3 MET 59 1.396 -7.255 -2.023 485 H ASN 60 H ASN 60 7.672 -7.261 -2.919 486 HA ASN 60 HA ASN 60 8.018 -4.691 -4.247 487 HB2 ASN 60 HB2 ASN 60 9.938 -6.961 -3.785 488 HB3 ASN 60 HB3 ASN 60 10.323 -5.523 -4.729 489 HD21 ASN 60 HD21 ASN 60 9.479 -6.713 -1.565 490 HD22 ASN 60 HD22 ASN 60 10.030 -5.344 -0.682 491 H SER 61 H SER 61 7.436 -8.022 -4.944 492 HA SER 61 HA SER 61 7.976 -8.055 -7.699 493 HB2 SER 61 HB2 SER 61 5.904 -9.662 -6.192 494 HB3 SER 61 HB3 SER 61 6.513 -10.030 -7.804 495 HG SER 61 HG SER 61 8.658 -9.801 -6.436 496 H LEU 62 H LEU 62 5.296 -6.718 -5.961 497 HA LEU 62 HA LEU 62 4.181 -5.869 -8.517 498 HB2 LEU 62 HB2 LEU 62 1.957 -5.705 -7.176 499 HB3 LEU 62 HB3 LEU 62 2.466 -7.226 -7.853 500 HG LEU 62 HG LEU 62 1.429 -7.317 -5.560 501 HD11 LEU 62 HD11 LEU 62 2.957 -8.999 -4.705 502 HD12 LEU 62 HD12 LEU 62 4.182 -8.464 -5.855 503 HD13 LEU 62 HD13 LEU 62 2.677 -9.172 -6.439 504 HD21 LEU 62 HD21 LEU 62 2.516 -5.339 -4.607 505 HD22 LEU 62 HD22 LEU 62 4.072 -6.167 -4.671 506 HD23 LEU 62 HD23 LEU 62 2.789 -6.781 -3.632 507 H ARG 63 H ARG 63 2.765 -3.824 -8.174 508 HA ARG 63 HA ARG 63 4.079 -2.111 -6.185 509 HB2 ARG 63 HB2 ARG 63 4.047 -0.211 -7.764 510 HB3 ARG 63 HB3 ARG 63 5.081 -1.519 -8.306 511 HG2 ARG 63 HG2 ARG 63 2.273 -1.292 -9.316 512 HG3 ARG 63 HG3 ARG 63 3.560 -0.300 -10.003 513 HD2 ARG 63 HD2 ARG 63 4.839 -2.362 -10.469 514 HD3 ARG 63 HD3 ARG 63 3.479 -3.305 -9.859 515 HE ARG 63 HE ARG 63 2.245 -2.743 -11.756 516 HH11 ARG 63 HH11 ARG 63 5.422 -1.259 -11.834 517 HH12 ARG 63 HH12 ARG 63 5.351 -0.912 -13.525 518 HH21 ARG 63 HH21 ARG 63 2.145 -2.252 -13.993 519 HH22 ARG 63 HH22 ARG 63 3.478 -1.453 -14.750 520 H PHE 64 H PHE 64 2.840 -0.001 -5.869 521 HA PHE 64 HA PHE 64 0.005 -0.728 -5.609 522 HB2 PHE 64 HB2 PHE 64 1.834 0.772 -3.748 523 HB3 PHE 64 HB3 PHE 64 0.087 0.920 -3.633 524 HD1 PHE 64 HD1 PHE 64 2.619 -1.816 -3.929 525 HD2 PHE 64 HD2 PHE 64 -0.922 -0.379 -2.060 526 HE1 PHE 64 HE1 PHE 64 2.551 -3.825 -2.519 527 HE2 PHE 64 HE2 PHE 64 -0.992 -2.388 -0.649 528 HZ PHE 64 HZ PHE 64 0.742 -4.112 -0.876 529 H LEU 65 H LEU 65 -1.106 0.338 -7.019 530 HA LEU 65 HA LEU 65 -0.476 3.192 -7.451 531 HB2 LEU 65 HB2 LEU 65 -1.808 1.410 -9.479 532 HB3 LEU 65 HB3 LEU 65 -1.154 3.027 -9.719 533 HG LEU 65 HG LEU 65 0.453 0.516 -9.250 534 HD11 LEU 65 HD11 LEU 65 1.204 0.855 -11.538 535 HD12 LEU 65 HD12 LEU 65 0.134 2.250 -11.689 536 HD13 LEU 65 HD13 LEU 65 -0.544 0.637 -11.463 537 HD21 LEU 65 HD21 LEU 65 1.513 2.476 -8.238 538 HD22 LEU 65 HD22 LEU 65 1.375 3.340 -9.772 539 HD23 LEU 65 HD23 LEU 65 2.408 1.912 -9.651 540 H PHE 66 H PHE 66 -2.075 4.606 -7.379 541 HA PHE 66 HA PHE 66 -4.724 3.586 -6.593 542 HB2 PHE 66 HB2 PHE 66 -3.780 4.669 -4.700 543 HB3 PHE 66 HB3 PHE 66 -3.194 6.011 -5.662 544 HD1 PHE 66 HD1 PHE 66 -6.556 4.417 -5.523 545 HD2 PHE 66 HD2 PHE 66 -4.216 7.902 -4.850 546 HE1 PHE 66 HE1 PHE 66 -8.589 5.675 -5.018 547 HE2 PHE 66 HE2 PHE 66 -6.254 9.177 -4.335 548 HZ PHE 66 HZ PHE 66 -8.446 8.061 -4.422 549 H GLU 67 H GLU 67 -5.965 3.739 -8.351 550 HA GLU 67 HA GLU 67 -6.973 4.529 -10.232 551 HB2 GLU 67 HB2 GLU 67 -8.141 6.634 -9.955 552 HB3 GLU 67 HB3 GLU 67 -8.096 5.794 -8.416 553 HG2 GLU 67 HG2 GLU 67 -6.536 7.294 -7.510 554 HG3 GLU 67 HG3 GLU 67 -6.099 7.922 -9.092 555 H GLY 68 H GLY 68 -4.058 4.675 -10.384 556 HA2 GLY 68 HA2 GLY 68 -2.874 5.331 -12.373 557 HA3 GLY 68 HA3 GLY 68 -3.857 6.786 -12.429 558 H GLN 69 H GLN 69 -2.856 6.119 -9.290 559 HA GLN 69 HA GLN 69 -0.686 8.091 -9.465 560 HB2 GLN 69 HB2 GLN 69 -2.356 7.125 -7.131 561 HB3 GLN 69 HB3 GLN 69 -1.020 8.256 -6.985 562 HG2 GLN 69 HG2 GLN 69 -3.252 8.902 -8.837 563 HG3 GLN 69 HG3 GLN 69 -3.517 9.047 -7.103 564 HE21 GLN 69 HE21 GLN 69 -0.379 9.629 -8.521 565 HE22 GLN 69 HE22 GLN 69 -0.394 11.337 -8.277 566 H ARG 70 H ARG 70 1.321 7.522 -8.718 567 HA ARG 70 HA ARG 70 1.603 4.683 -8.130 568 HB2 ARG 70 HB2 ARG 70 3.962 4.913 -8.826 569 HB3 ARG 70 HB3 ARG 70 2.808 5.284 -10.098 570 HG2 ARG 70 HG2 ARG 70 3.156 7.694 -9.602 571 HG3 ARG 70 HG3 ARG 70 4.456 7.217 -8.506 572 HD2 ARG 70 HD2 ARG 70 5.534 6.030 -10.372 573 HD3 ARG 70 HD3 ARG 70 4.265 6.622 -11.442 574 HE ARG 70 HE ARG 70 5.686 8.679 -9.994 575 HH11 ARG 70 HH11 ARG 70 5.550 6.780 -12.944 576 HH12 ARG 70 HH12 ARG 70 6.463 7.916 -13.871 577 HH21 ARG 70 HH21 ARG 70 6.932 10.173 -11.218 578 HH22 ARG 70 HH22 ARG 70 7.258 9.843 -12.883 579 H ILE 71 H ILE 71 2.094 4.059 -6.231 580 HA ILE 71 HA ILE 71 3.067 6.048 -4.316 581 HB ILE 71 HB ILE 71 1.398 3.561 -3.874 582 HG12 ILE 71 HG12 ILE 71 -0.174 5.285 -2.811 583 HG13 ILE 71 HG13 ILE 71 0.827 6.516 -3.562 584 HG21 ILE 71 HG21 ILE 71 1.426 4.053 -1.503 585 HG22 ILE 71 HG22 ILE 71 2.477 5.443 -1.779 586 HG23 ILE 71 HG23 ILE 71 3.069 3.812 -2.092 587 HD11 ILE 71 HD11 ILE 71 -1.182 6.058 -4.864 588 HD12 ILE 71 HD12 ILE 71 -0.709 4.368 -5.019 589 HD13 ILE 71 HD13 ILE 71 0.268 5.630 -5.768 590 H ALA 72 H ALA 72 5.266 5.777 -4.578 591 HA ALA 72 HA ALA 72 6.315 3.078 -4.254 592 HB1 ALA 72 HB1 ALA 72 7.774 5.620 -4.968 593 HB2 ALA 72 HB2 ALA 72 7.189 4.416 -6.116 594 HB3 ALA 72 HB3 ALA 72 8.455 3.993 -4.962 595 H ASP 73 H ASP 73 5.591 3.079 -2.066 596 HA ASP 73 HA ASP 73 5.835 3.199 0.196 597 HB2 ASP 73 HB2 ASP 73 8.694 2.939 -0.707 598 HB3 ASP 73 HB3 ASP 73 8.139 2.648 0.938 599 H ASN 74 H ASN 74 5.679 5.903 -0.871 600 HA ASN 74 HA ASN 74 6.829 7.242 1.386 601 HB2 ASN 74 HB2 ASN 74 8.737 7.631 0.187 602 HB3 ASN 74 HB3 ASN 74 7.920 7.561 -1.369 603 HD21 ASN 74 HD21 ASN 74 7.018 9.395 -2.207 604 HD22 ASN 74 HD22 ASN 74 7.306 10.958 -1.543 605 H HIS 75 H HIS 75 4.845 7.273 -1.501 606 HA HIS 75 HA HIS 75 3.719 9.799 -1.235 607 HB2 HIS 75 HB2 HIS 75 3.388 7.682 -2.960 608 HB3 HIS 75 HB3 HIS 75 1.841 7.727 -2.120 609 HD1 HIS 75 HD1 HIS 75 2.948 8.770 -5.173 610 HD2 HIS 75 HD2 HIS 75 1.259 10.869 -2.005 611 HE1 HIS 75 HE1 HIS 75 2.004 10.868 -6.171 612 HE2 HIS 75 HE2 HIS 75 0.827 12.016 -4.282 613 H THR 76 H THR 76 1.824 10.517 -0.215 614 HA THR 76 HA THR 76 1.121 8.927 2.148 615 HB THR 76 HB THR 76 0.576 11.107 3.231 616 HG1 THR 76 HG1 THR 76 1.949 12.396 1.139 617 HG21 THR 76 HG21 THR 76 3.373 10.905 2.105 618 HG22 THR 76 HG22 THR 76 2.782 10.127 3.572 619 HG23 THR 76 HG23 THR 76 2.896 11.886 3.492 620 HA PRO 77 HA PRO 77 -3.094 8.686 0.928 621 HB2 PRO 77 HB2 PRO 77 -4.401 9.038 3.321 622 HB3 PRO 77 HB3 PRO 77 -3.568 7.546 2.882 623 HG2 PRO 77 HG2 PRO 77 -2.625 9.815 4.589 624 HG3 PRO 77 HG3 PRO 77 -2.445 8.068 4.846 625 HD2 PRO 77 HD2 PRO 77 -0.442 9.603 3.906 626 HD3 PRO 77 HD3 PRO 77 -0.656 7.917 3.389 627 H LYS 78 H LYS 78 -2.056 11.475 2.695 628 HA LYS 78 HA LYS 78 -4.468 12.992 2.222 629 HB2 LYS 78 HB2 LYS 78 -3.296 14.793 3.359 630 HB3 LYS 78 HB3 LYS 78 -3.091 13.300 4.262 631 HG2 LYS 78 HG2 LYS 78 -0.909 13.901 4.304 632 HG3 LYS 78 HG3 LYS 78 -0.897 13.240 2.674 633 HD2 LYS 78 HD2 LYS 78 -1.467 15.511 1.821 634 HD3 LYS 78 HD3 LYS 78 -1.256 16.106 3.472 635 HE2 LYS 78 HE2 LYS 78 1.030 15.469 3.486 636 HE3 LYS 78 HE3 LYS 78 0.865 14.624 1.951 637 HZ1 LYS 78 HZ1 LYS 78 0.547 16.692 0.810 638 HZ2 LYS 78 HZ2 LYS 78 1.918 16.866 1.781 639 HZ3 LYS 78 HZ3 LYS 78 0.456 17.557 2.263 640 H GLU 79 H GLU 79 -1.338 12.550 0.828 641 HA GLU 79 HA GLU 79 -1.305 14.884 -0.803 642 HB2 GLU 79 HB2 GLU 79 0.626 13.433 0.045 643 HB3 GLU 79 HB3 GLU 79 0.215 12.347 -1.268 644 HG2 GLU 79 HG2 GLU 79 1.895 13.640 -2.156 645 HG3 GLU 79 HG3 GLU 79 0.431 14.433 -2.744 646 H LEU 80 H LEU 80 -2.266 11.557 -1.135 647 HA LEU 80 HA LEU 80 -2.612 11.586 -3.956 648 HB2 LEU 80 HB2 LEU 80 -3.671 9.741 -1.839 649 HB3 LEU 80 HB3 LEU 80 -3.757 9.445 -3.566 650 HG LEU 80 HG LEU 80 -1.115 9.867 -2.207 651 HD11 LEU 80 HD11 LEU 80 -2.533 7.234 -2.576 652 HD12 LEU 80 HD12 LEU 80 -2.365 8.089 -1.042 653 HD13 LEU 80 HD13 LEU 80 -0.927 7.500 -1.882 654 HD21 LEU 80 HD21 LEU 80 -1.205 9.977 -4.646 655 HD22 LEU 80 HD22 LEU 80 -1.960 8.381 -4.695 656 HD23 LEU 80 HD23 LEU 80 -0.311 8.562 -4.095 657 H GLY 81 H GLY 81 -4.457 12.871 -1.405 658 HA2 GLY 81 HA2 GLY 81 -6.452 14.033 -1.573 659 HA3 GLY 81 HA3 GLY 81 -6.547 13.549 -3.259 660 H MET 82 H MET 82 -6.150 11.104 -0.762 661 HA MET 82 HA MET 82 -8.827 10.198 -1.549 662 HB2 MET 82 HB2 MET 82 -8.147 7.916 -1.214 663 HB3 MET 82 HB3 MET 82 -7.019 8.693 -2.304 664 HG2 MET 82 HG2 MET 82 -5.446 8.954 -0.416 665 HG3 MET 82 HG3 MET 82 -6.579 8.058 0.601 666 HE1 MET 82 HE1 MET 82 -4.999 6.235 1.276 667 HE2 MET 82 HE2 MET 82 -3.618 6.911 0.406 668 HE3 MET 82 HE3 MET 82 -4.051 5.214 0.200 669 H GLU 83 H GLU 83 -9.658 8.529 0.251 670 HA GLU 83 HA GLU 83 -9.246 9.731 2.892 671 HB2 GLU 83 HB2 GLU 83 -11.822 9.702 1.355 672 HB3 GLU 83 HB3 GLU 83 -11.839 9.707 3.108 673 HG2 GLU 83 HG2 GLU 83 -10.510 11.750 3.094 674 HG3 GLU 83 HG3 GLU 83 -10.588 11.773 1.331 675 H GLU 84 H GLU 84 -11.375 8.431 4.192 676 HA GLU 84 HA GLU 84 -10.271 5.825 4.433 677 HB2 GLU 84 HB2 GLU 84 -11.853 5.432 6.173 678 HB3 GLU 84 HB3 GLU 84 -11.314 7.093 6.322 679 HG2 GLU 84 HG2 GLU 84 -13.357 7.888 5.321 680 HG3 GLU 84 HG3 GLU 84 -13.898 6.229 5.059 681 H GLU 85 H GLU 85 -11.480 3.819 4.243 682 HA GLU 85 HA GLU 85 -12.478 2.250 3.021 683 HB2 GLU 85 HB2 GLU 85 -14.532 3.579 3.769 684 HB3 GLU 85 HB3 GLU 85 -14.528 4.297 2.164 685 HG2 GLU 85 HG2 GLU 85 -14.745 2.058 1.175 686 HG3 GLU 85 HG3 GLU 85 -14.788 1.361 2.791 687 H ASP 86 H ASP 86 -10.534 4.246 1.824 688 HA ASP 86 HA ASP 86 -11.268 4.330 -0.937 689 HB2 ASP 86 HB2 ASP 86 -9.349 5.573 0.719 690 HB3 ASP 86 HB3 ASP 86 -8.474 4.729 -0.554 691 H VAL 87 H VAL 87 -10.002 3.334 -2.611 692 HA VAL 87 HA VAL 87 -8.977 0.736 -1.740 693 HB VAL 87 HB VAL 87 -11.132 0.506 -2.901 694 HG11 VAL 87 HG11 VAL 87 -9.744 1.792 -5.243 695 HG12 VAL 87 HG12 VAL 87 -11.064 2.481 -4.298 696 HG13 VAL 87 HG13 VAL 87 -11.340 1.044 -5.282 697 HG21 VAL 87 HG21 VAL 87 -9.518 -1.299 -3.111 698 HG22 VAL 87 HG22 VAL 87 -8.794 -0.516 -4.514 699 HG23 VAL 87 HG23 VAL 87 -10.445 -1.132 -4.602 700 H ILE 88 H ILE 88 -7.139 0.014 -2.604 701 HA ILE 88 HA ILE 88 -5.745 1.790 -4.506 702 HB ILE 88 HB ILE 88 -4.404 0.053 -2.417 703 HG12 ILE 88 HG12 ILE 88 -5.616 1.960 -1.377 704 HG13 ILE 88 HG13 ILE 88 -3.872 2.092 -1.194 705 HG21 ILE 88 HG21 ILE 88 -3.263 2.151 -4.251 706 HG22 ILE 88 HG22 ILE 88 -3.106 0.409 -4.451 707 HG23 ILE 88 HG23 ILE 88 -2.359 1.207 -3.061 708 HD11 ILE 88 HD11 ILE 88 -5.530 3.560 -3.230 709 HD12 ILE 88 HD12 ILE 88 -3.791 3.723 -2.975 710 HD13 ILE 88 HD13 ILE 88 -4.917 4.230 -1.719 711 H GLU 89 H GLU 89 -4.542 0.738 -6.135 712 HA GLU 89 HA GLU 89 -5.412 -2.032 -6.569 713 HB2 GLU 89 HB2 GLU 89 -4.513 -0.130 -8.707 714 HB3 GLU 89 HB3 GLU 89 -5.515 -1.568 -8.868 715 HG2 GLU 89 HG2 GLU 89 -7.301 -0.408 -7.612 716 HG3 GLU 89 HG3 GLU 89 -6.292 1.024 -7.569 717 H VAL 90 H VAL 90 -3.875 -3.519 -6.538 718 HA VAL 90 HA VAL 90 -1.095 -2.644 -6.777 719 HB VAL 90 HB VAL 90 -2.217 -5.201 -5.603 720 HG11 VAL 90 HG11 VAL 90 0.614 -4.195 -5.719 721 HG12 VAL 90 HG12 VAL 90 -0.039 -5.598 -6.567 722 HG13 VAL 90 HG13 VAL 90 0.063 -5.599 -4.805 723 HG21 VAL 90 HG21 VAL 90 -0.974 -2.796 -4.296 724 HG22 VAL 90 HG22 VAL 90 -1.468 -4.274 -3.470 725 HG23 VAL 90 HG23 VAL 90 -2.679 -3.244 -4.238 726 H TYR 91 H TYR 91 -0.127 -2.962 -8.617 727 HA TYR 91 HA TYR 91 -1.135 -5.000 -10.479 728 HB2 TYR 91 HB2 TYR 91 0.584 -2.562 -10.935 729 HB3 TYR 91 HB3 TYR 91 0.168 -3.726 -12.185 730 HD1 TYR 91 HD1 TYR 91 -1.246 -1.240 -9.836 731 HD2 TYR 91 HD2 TYR 91 -1.903 -3.565 -13.334 732 HE1 TYR 91 HE1 TYR 91 -3.286 0.035 -10.287 733 HE2 TYR 91 HE2 TYR 91 -3.955 -2.290 -13.800 734 HH TYR 91 HH TYR 91 -4.732 0.602 -12.133 735 H GLN 92 H GLN 92 0.203 -6.555 -11.312 736 HA GLN 92 HA GLN 92 2.589 -7.091 -9.750 737 HB2 GLN 92 HB2 GLN 92 0.662 -8.706 -10.538 738 HB3 GLN 92 HB3 GLN 92 1.677 -8.869 -11.960 739 HG2 GLN 92 HG2 GLN 92 2.621 -9.372 -9.144 740 HG3 GLN 92 HG3 GLN 92 2.002 -10.624 -10.214 741 HE21 GLN 92 HE21 GLN 92 4.617 -10.286 -8.974 742 HE22 GLN 92 HE22 GLN 92 5.763 -10.283 -10.267 743 H GLU 93 H GLU 93 4.511 -6.489 -10.377 744 HA GLU 93 HA GLU 93 5.681 -6.998 -12.805 745 HB2 GLU 93 HB2 GLU 93 4.190 -5.241 -13.723 746 HB3 GLU 93 HB3 GLU 93 4.854 -4.086 -12.578 747 HG2 GLU 93 HG2 GLU 93 7.047 -4.315 -13.598 748 HG3 GLU 93 HG3 GLU 93 6.418 -5.516 -14.723 749 H GLN 94 H GLN 94 7.792 -6.744 -12.619 750 HA GLN 94 HA GLN 94 8.947 -6.378 -10.097 751 HB2 GLN 94 HB2 GLN 94 11.128 -6.288 -11.309 752 HB3 GLN 94 HB3 GLN 94 10.115 -7.651 -11.766 753 HG2 GLN 94 HG2 GLN 94 9.371 -6.322 -13.747 754 HG3 GLN 94 HG3 GLN 94 10.585 -5.121 -13.313 755 HE21 GLN 94 HE21 GLN 94 10.031 -8.349 -14.446 756 HE22 GLN 94 HE22 GLN 94 11.625 -8.627 -15.049 757 H THR 95 H THR 95 9.635 -4.628 -8.991 758 HA THR 95 HA THR 95 8.856 -2.089 -9.935 759 HB THR 95 HB THR 95 10.182 -1.383 -7.775 760 HG1 THR 95 HG1 THR 95 9.611 -3.995 -6.936 761 HG21 THR 95 HG21 THR 95 7.668 -3.060 -7.669 762 HG22 THR 95 HG22 THR 95 7.745 -1.328 -7.993 763 HG23 THR 95 HG23 THR 95 8.214 -1.951 -6.411 764 H GLY 96 H GLY 96 9.995 -0.582 -10.916 765 HA2 GLY 96 HA2 GLY 96 12.410 0.310 -10.966 766 HA3 GLY 96 HA3 GLY 96 12.735 -1.295 -11.617 767 H GLY 97 H GLY 97 13.026 -1.172 -13.747 768 HA2 GLY 97 HA2 GLY 97 12.108 -1.000 -15.913 769 HA3 GLY 97 HA3 GLY 97 10.955 0.177 -15.302 Start of MODEL 19 1 H MET 1 H MET 1 9.716 -24.901 37.405 2 HA MET 1 HA MET 1 11.438 -24.535 35.040 3 HB2 MET 1 HB2 MET 1 10.185 -27.002 36.251 4 HB3 MET 1 HB3 MET 1 10.782 -26.945 34.601 5 HG2 MET 1 HG2 MET 1 12.418 -27.983 36.005 6 HG3 MET 1 HG3 MET 1 13.029 -26.422 35.466 7 HE1 MET 1 HE1 MET 1 14.923 -26.660 37.354 8 HE2 MET 1 HE2 MET 1 14.219 -28.187 37.888 9 HE3 MET 1 HE3 MET 1 14.563 -26.917 39.061 10 H SER 2 H SER 2 10.330 -23.676 33.437 11 HA SER 2 HA SER 2 7.446 -24.211 33.298 12 HB2 SER 2 HB2 SER 2 8.903 -21.723 32.381 13 HB3 SER 2 HB3 SER 2 7.161 -21.999 32.325 14 HG SER 2 HG SER 2 8.814 -21.732 34.616 15 H ASP 3 H ASP 3 6.595 -24.052 31.013 16 HA ASP 3 HA ASP 3 8.584 -25.256 29.210 17 HB2 ASP 3 HB2 ASP 3 6.855 -26.498 28.187 18 HB3 ASP 3 HB3 ASP 3 6.543 -26.593 29.916 19 H GLN 4 H GLN 4 7.491 -22.384 29.754 20 HA GLN 4 HA GLN 4 6.685 -21.666 27.059 21 HB2 GLN 4 HB2 GLN 4 6.396 -19.379 27.958 22 HB3 GLN 4 HB3 GLN 4 5.455 -20.581 28.821 23 HG2 GLN 4 HG2 GLN 4 7.061 -20.567 30.642 24 HG3 GLN 4 HG3 GLN 4 8.074 -19.429 29.754 25 HE21 GLN 4 HE21 GLN 4 7.918 -17.921 31.455 26 HE22 GLN 4 HE22 GLN 4 6.481 -16.994 31.704 27 H GLU 5 H GLU 5 7.790 -20.327 25.718 28 HA GLU 5 HA GLU 5 10.577 -19.727 26.414 29 HB2 GLU 5 HB2 GLU 5 10.503 -21.620 24.862 30 HB3 GLU 5 HB3 GLU 5 9.493 -20.692 23.763 31 HG2 GLU 5 HG2 GLU 5 11.330 -19.098 23.453 32 HG3 GLU 5 HG3 GLU 5 12.341 -20.083 24.510 33 H ALA 6 H ALA 6 8.154 -19.084 23.963 34 HA ALA 6 HA ALA 6 9.008 -16.386 23.569 35 HB1 ALA 6 HB1 ALA 6 6.449 -17.739 22.711 36 HB2 ALA 6 HB2 ALA 6 7.936 -17.641 21.769 37 HB3 ALA 6 HB3 ALA 6 7.028 -16.175 22.136 38 H LYS 7 H LYS 7 7.785 -14.476 24.083 39 HA LYS 7 HA LYS 7 6.589 -14.608 26.682 40 HB2 LYS 7 HB2 LYS 7 6.235 -12.121 26.326 41 HB3 LYS 7 HB3 LYS 7 7.898 -12.679 26.319 42 HG2 LYS 7 HG2 LYS 7 8.076 -12.435 23.981 43 HG3 LYS 7 HG3 LYS 7 6.330 -12.262 23.792 44 HD2 LYS 7 HD2 LYS 7 7.913 -10.319 25.440 45 HD3 LYS 7 HD3 LYS 7 7.799 -10.144 23.686 46 HE2 LYS 7 HE2 LYS 7 5.395 -10.381 25.497 47 HE3 LYS 7 HE3 LYS 7 6.098 -8.838 25.011 48 HZ1 LYS 7 HZ1 LYS 7 4.242 -9.486 23.588 49 HZ2 LYS 7 HZ2 LYS 7 5.046 -10.901 23.150 50 HZ3 LYS 7 HZ3 LYS 7 5.680 -9.403 22.711 51 HA PRO 8 HA PRO 8 2.380 -15.208 25.596 52 HB2 PRO 8 HB2 PRO 8 1.205 -13.717 27.600 53 HB3 PRO 8 HB3 PRO 8 1.808 -15.365 27.801 54 HG2 PRO 8 HG2 PRO 8 3.140 -12.769 28.469 55 HG3 PRO 8 HG3 PRO 8 3.093 -14.276 29.407 56 HD2 PRO 8 HD2 PRO 8 5.248 -13.594 27.991 57 HD3 PRO 8 HD3 PRO 8 4.712 -15.286 28.078 58 H SER 9 H SER 9 1.882 -12.076 27.023 59 HA SER 9 HA SER 9 1.611 -10.790 24.426 60 HB2 SER 9 HB2 SER 9 -0.715 -10.907 26.352 61 HB3 SER 9 HB3 SER 9 -0.693 -10.165 24.754 62 HG SER 9 HG SER 9 -1.547 -12.486 25.191 63 H THR 10 H THR 10 1.567 -8.516 24.553 64 HA THR 10 HA THR 10 1.531 -7.250 27.157 65 HB THR 10 HB THR 10 3.957 -7.905 26.472 66 HG1 THR 10 HG1 THR 10 3.799 -5.133 26.937 67 HG21 THR 10 HG21 THR 10 5.083 -6.229 25.040 68 HG22 THR 10 HG22 THR 10 3.504 -5.539 24.655 69 HG23 THR 10 HG23 THR 10 3.892 -7.186 24.161 70 H GLU 11 H GLU 11 1.968 -4.637 26.511 71 HA GLU 11 HA GLU 11 -0.341 -4.000 25.003 72 HB2 GLU 11 HB2 GLU 11 0.259 -1.656 25.274 73 HB3 GLU 11 HB3 GLU 11 0.485 -2.513 26.788 74 HG2 GLU 11 HG2 GLU 11 2.772 -2.015 24.917 75 HG3 GLU 11 HG3 GLU 11 2.241 -0.797 26.074 76 H ASP 12 H ASP 12 -0.457 -2.721 23.031 77 HA ASP 12 HA ASP 12 1.361 -3.850 21.075 78 HB2 ASP 12 HB2 ASP 12 -1.072 -3.928 20.682 79 HB3 ASP 12 HB3 ASP 12 -1.110 -2.170 20.654 80 H LEU 13 H LEU 13 -0.008 -0.583 21.414 81 HA LEU 13 HA LEU 13 2.664 0.515 21.137 82 HB2 LEU 13 HB2 LEU 13 2.310 1.781 19.196 83 HB3 LEU 13 HB3 LEU 13 1.706 0.189 18.803 84 HG LEU 13 HG LEU 13 -0.046 2.534 19.571 85 HD11 LEU 13 HD11 LEU 13 0.585 1.410 16.849 86 HD12 LEU 13 HD12 LEU 13 1.105 2.974 17.480 87 HD13 LEU 13 HD13 LEU 13 -0.609 2.661 17.198 88 HD21 LEU 13 HD21 LEU 13 -1.074 0.365 20.028 89 HD22 LEU 13 HD22 LEU 13 -0.728 -0.156 18.380 90 HD23 LEU 13 HD23 LEU 13 -1.864 1.162 18.668 91 H GLY 14 H GLY 14 2.876 2.620 21.856 92 HA2 GLY 14 HA2 GLY 14 0.454 3.832 23.010 93 HA3 GLY 14 HA3 GLY 14 1.949 3.711 23.929 94 H ASP 15 H ASP 15 1.608 4.480 20.509 95 HA ASP 15 HA ASP 15 3.330 6.720 20.705 96 HB2 ASP 15 HB2 ASP 15 3.102 5.447 18.613 97 HB3 ASP 15 HB3 ASP 15 1.428 5.978 18.468 98 H LYS 16 H LYS 16 0.068 6.970 19.332 99 HA LYS 16 HA LYS 16 -0.928 8.697 21.349 100 HB2 LYS 16 HB2 LYS 16 -1.079 10.743 19.957 101 HB3 LYS 16 HB3 LYS 16 0.578 10.315 20.356 102 HG2 LYS 16 HG2 LYS 16 0.676 9.191 18.081 103 HG3 LYS 16 HG3 LYS 16 -0.839 10.023 17.726 104 HD2 LYS 16 HD2 LYS 16 1.682 11.389 18.624 105 HD3 LYS 16 HD3 LYS 16 1.205 11.205 16.937 106 HE2 LYS 16 HE2 LYS 16 -0.782 12.514 17.303 107 HE3 LYS 16 HE3 LYS 16 -0.473 12.576 19.035 108 HZ1 LYS 16 HZ1 LYS 16 1.463 13.898 18.652 109 HZ2 LYS 16 HZ2 LYS 16 0.162 14.623 17.863 110 HZ3 LYS 16 HZ3 LYS 16 1.311 13.757 16.973 111 H LYS 17 H LYS 17 -3.106 8.674 21.264 112 HA LYS 17 HA LYS 17 -4.344 7.362 18.997 113 HB2 LYS 17 HB2 LYS 17 -4.904 6.658 21.316 114 HB3 LYS 17 HB3 LYS 17 -5.533 8.264 21.634 115 HG2 LYS 17 HG2 LYS 17 -6.674 6.728 19.361 116 HG3 LYS 17 HG3 LYS 17 -7.109 6.249 21.000 117 HD2 LYS 17 HD2 LYS 17 -7.368 9.072 19.967 118 HD3 LYS 17 HD3 LYS 17 -8.674 7.891 19.887 119 HE2 LYS 17 HE2 LYS 17 -7.294 8.776 22.420 120 HE3 LYS 17 HE3 LYS 17 -8.833 9.406 21.840 121 HZ1 LYS 17 HZ1 LYS 17 -9.182 7.699 23.489 122 HZ2 LYS 17 HZ2 LYS 17 -8.275 6.587 22.597 123 HZ3 LYS 17 HZ3 LYS 17 -9.741 7.160 21.989 124 H GLU 18 H GLU 18 -3.919 10.444 20.366 125 HA GLU 18 HA GLU 18 -6.104 11.787 19.192 126 HB2 GLU 18 HB2 GLU 18 -4.795 13.849 19.652 127 HB3 GLU 18 HB3 GLU 18 -4.953 12.799 21.051 128 HG2 GLU 18 HG2 GLU 18 -2.701 11.979 20.723 129 HG3 GLU 18 HG3 GLU 18 -2.538 12.965 19.270 130 H GLY 19 H GLY 19 -6.449 12.284 17.152 131 HA2 GLY 19 HA2 GLY 19 -5.144 13.547 15.309 132 HA3 GLY 19 HA3 GLY 19 -4.254 12.028 15.254 133 H GLU 20 H GLU 20 -5.489 12.762 12.997 134 HA GLU 20 HA GLU 20 -8.068 11.429 12.978 135 HB2 GLU 20 HB2 GLU 20 -6.623 12.955 10.815 136 HB3 GLU 20 HB3 GLU 20 -8.229 12.255 10.658 137 HG2 GLU 20 HG2 GLU 20 -8.974 13.699 12.530 138 HG3 GLU 20 HG3 GLU 20 -7.384 14.458 12.516 139 H TYR 21 H TYR 21 -8.055 9.332 12.722 140 HA TYR 21 HA TYR 21 -6.083 8.165 10.886 141 HB2 TYR 21 HB2 TYR 21 -7.429 6.861 13.263 142 HB3 TYR 21 HB3 TYR 21 -6.340 6.072 12.121 143 HD1 TYR 21 HD1 TYR 21 -6.535 8.623 14.801 144 HD2 TYR 21 HD2 TYR 21 -3.975 6.280 12.342 145 HE1 TYR 21 HE1 TYR 21 -4.618 9.273 16.190 146 HE2 TYR 21 HE2 TYR 21 -2.050 6.923 13.725 147 HH TYR 21 HH TYR 21 -2.344 8.346 16.748 148 H ILE 22 H ILE 22 -6.858 6.981 9.179 149 HA ILE 22 HA ILE 22 -9.749 6.555 9.139 150 HB ILE 22 HB ILE 22 -9.494 6.746 6.661 151 HG12 ILE 22 HG12 ILE 22 -6.909 8.159 7.213 152 HG13 ILE 22 HG13 ILE 22 -6.939 6.427 6.895 153 HG21 ILE 22 HG21 ILE 22 -8.812 9.191 8.297 154 HG22 ILE 22 HG22 ILE 22 -10.431 8.572 7.976 155 HG23 ILE 22 HG23 ILE 22 -9.452 9.208 6.654 156 HD11 ILE 22 HD11 ILE 22 -7.972 8.575 5.084 157 HD12 ILE 22 HD12 ILE 22 -8.010 6.833 4.772 158 HD13 ILE 22 HD13 ILE 22 -6.461 7.677 4.900 159 H LYS 23 H LYS 23 -10.349 4.820 7.605 160 HA LYS 23 HA LYS 23 -8.366 2.663 7.603 161 HB2 LYS 23 HB2 LYS 23 -10.395 1.118 7.644 162 HB3 LYS 23 HB3 LYS 23 -10.056 1.993 9.124 163 HG2 LYS 23 HG2 LYS 23 -12.327 2.238 8.982 164 HG3 LYS 23 HG3 LYS 23 -11.785 3.707 8.174 165 HD2 LYS 23 HD2 LYS 23 -12.004 2.470 5.997 166 HD3 LYS 23 HD3 LYS 23 -12.772 1.160 6.899 167 HE2 LYS 23 HE2 LYS 23 -13.730 4.013 6.747 168 HE3 LYS 23 HE3 LYS 23 -14.425 2.644 5.884 169 HZ1 LYS 23 HZ1 LYS 23 -14.310 2.905 8.843 170 HZ2 LYS 23 HZ2 LYS 23 -15.051 1.654 7.979 171 HZ3 LYS 23 HZ3 LYS 23 -15.672 3.220 7.895 172 H LEU 24 H LEU 24 -7.958 1.674 5.712 173 HA LEU 24 HA LEU 24 -9.683 2.280 3.434 174 HB2 LEU 24 HB2 LEU 24 -6.678 2.290 3.199 175 HB3 LEU 24 HB3 LEU 24 -7.853 2.766 2.004 176 HG LEU 24 HG LEU 24 -8.460 4.629 3.722 177 HD11 LEU 24 HD11 LEU 24 -6.533 5.368 5.036 178 HD12 LEU 24 HD12 LEU 24 -5.650 3.922 4.552 179 HD13 LEU 24 HD13 LEU 24 -7.096 3.777 5.549 180 HD21 LEU 24 HD21 LEU 24 -5.895 4.675 2.161 181 HD22 LEU 24 HD22 LEU 24 -6.822 6.081 2.689 182 HD23 LEU 24 HD23 LEU 24 -7.500 4.968 1.501 183 H LYS 25 H LYS 25 -8.567 0.880 1.461 184 HA LYS 25 HA LYS 25 -7.877 -1.766 2.406 185 HB2 LYS 25 HB2 LYS 25 -10.309 -1.845 2.526 186 HB3 LYS 25 HB3 LYS 25 -10.435 -1.220 0.894 187 HG2 LYS 25 HG2 LYS 25 -8.921 -3.735 1.222 188 HG3 LYS 25 HG3 LYS 25 -10.660 -3.816 1.500 189 HD2 LYS 25 HD2 LYS 25 -9.410 -2.627 -0.973 190 HD3 LYS 25 HD3 LYS 25 -9.935 -4.308 -0.848 191 HE2 LYS 25 HE2 LYS 25 -11.723 -1.933 -0.382 192 HE3 LYS 25 HE3 LYS 25 -11.595 -2.781 -1.921 193 HZ1 LYS 25 HZ1 LYS 25 -12.567 -3.903 0.656 194 HZ2 LYS 25 HZ2 LYS 25 -12.299 -4.823 -0.733 195 HZ3 LYS 25 HZ3 LYS 25 -13.473 -3.615 -0.740 196 H VAL 26 H VAL 26 -6.880 -3.015 0.834 197 HA VAL 26 HA VAL 26 -6.609 -1.798 -1.830 198 HB VAL 26 HB VAL 26 -4.240 -1.928 -1.914 199 HG11 VAL 26 HG11 VAL 26 -4.856 -0.914 0.847 200 HG12 VAL 26 HG12 VAL 26 -5.094 -0.005 -0.638 201 HG13 VAL 26 HG13 VAL 26 -3.466 -0.482 -0.148 202 HG21 VAL 26 HG21 VAL 26 -4.331 -3.381 0.716 203 HG22 VAL 26 HG22 VAL 26 -2.859 -2.869 -0.109 204 HG23 VAL 26 HG23 VAL 26 -3.921 -4.062 -0.858 205 H ILE 27 H ILE 27 -6.453 -3.227 -3.496 206 HA ILE 27 HA ILE 27 -6.416 -6.088 -2.776 207 HB ILE 27 HB ILE 27 -7.968 -4.779 -5.023 208 HG12 ILE 27 HG12 ILE 27 -9.137 -6.130 -2.619 209 HG13 ILE 27 HG13 ILE 27 -8.718 -4.419 -2.583 210 HG21 ILE 27 HG21 ILE 27 -7.938 -7.633 -4.037 211 HG22 ILE 27 HG22 ILE 27 -7.270 -7.054 -5.563 212 HG23 ILE 27 HG23 ILE 27 -9.010 -6.995 -5.283 213 HD11 ILE 27 HD11 ILE 27 -11.076 -4.786 -3.081 214 HD12 ILE 27 HD12 ILE 27 -10.629 -5.714 -4.517 215 HD13 ILE 27 HD13 ILE 27 -10.238 -3.994 -4.413 216 H GLY 28 H GLY 28 -5.206 -7.421 -4.066 217 HA2 GLY 28 HA2 GLY 28 -3.667 -6.065 -6.182 218 HA3 GLY 28 HA3 GLY 28 -2.959 -7.271 -5.112 219 H GLN 29 H GLN 29 -2.600 -7.733 -7.650 220 HA GLN 29 HA GLN 29 -4.647 -9.129 -9.024 221 HB2 GLN 29 HB2 GLN 29 -3.072 -9.514 -10.677 222 HB3 GLN 29 HB3 GLN 29 -2.364 -8.124 -9.875 223 HG2 GLN 29 HG2 GLN 29 -1.570 -11.006 -9.459 224 HG3 GLN 29 HG3 GLN 29 -0.689 -9.820 -10.409 225 HE21 GLN 29 HE21 GLN 29 -1.045 -7.648 -8.503 226 HE22 GLN 29 HE22 GLN 29 -0.060 -8.040 -7.131 227 H ASP 30 H ASP 30 -2.972 -9.917 -6.297 228 HA ASP 30 HA ASP 30 -2.684 -12.756 -6.679 229 HB2 ASP 30 HB2 ASP 30 -1.145 -11.353 -5.267 230 HB3 ASP 30 HB3 ASP 30 -2.480 -11.093 -4.157 231 H SER 31 H SER 31 -5.297 -10.850 -6.309 232 HA SER 31 HA SER 31 -7.482 -11.179 -5.744 233 HB2 SER 31 HB2 SER 31 -6.737 -14.046 -5.091 234 HB3 SER 31 HB3 SER 31 -8.337 -13.424 -5.488 235 HG SER 31 HG SER 31 -6.284 -14.174 -7.128 236 H SER 32 H SER 32 -5.181 -10.758 -3.782 237 HA SER 32 HA SER 32 -6.643 -11.390 -1.334 238 HB2 SER 32 HB2 SER 32 -3.720 -10.728 -1.766 239 HB3 SER 32 HB3 SER 32 -4.465 -11.093 -0.205 240 HG SER 32 HG SER 32 -3.574 -12.789 -2.129 241 H GLU 33 H GLU 33 -6.543 -9.698 0.357 242 HA GLU 33 HA GLU 33 -6.001 -7.026 -0.531 243 HB2 GLU 33 HB2 GLU 33 -8.199 -6.118 -0.218 244 HB3 GLU 33 HB3 GLU 33 -8.321 -7.458 -1.344 245 HG2 GLU 33 HG2 GLU 33 -9.277 -8.866 0.318 246 HG3 GLU 33 HG3 GLU 33 -8.961 -7.679 1.582 247 H ILE 34 H ILE 34 -6.281 -5.470 1.254 248 HA ILE 34 HA ILE 34 -6.427 -6.688 3.896 249 HB ILE 34 HB ILE 34 -4.039 -6.817 3.257 250 HG12 ILE 34 HG12 ILE 34 -4.305 -4.744 5.399 251 HG13 ILE 34 HG13 ILE 34 -4.959 -6.365 5.636 252 HG21 ILE 34 HG21 ILE 34 -2.730 -4.719 3.174 253 HG22 ILE 34 HG22 ILE 34 -4.247 -3.817 3.139 254 HG23 ILE 34 HG23 ILE 34 -3.841 -4.918 1.822 255 HD11 ILE 34 HD11 ILE 34 -2.751 -7.288 5.250 256 HD12 ILE 34 HD12 ILE 34 -2.762 -6.151 6.601 257 HD13 ILE 34 HD13 ILE 34 -2.106 -5.662 5.035 258 H HIS 35 H HIS 35 -7.054 -5.310 5.505 259 HA HIS 35 HA HIS 35 -7.813 -2.586 4.674 260 HB2 HIS 35 HB2 HIS 35 -8.998 -4.323 6.865 261 HB3 HIS 35 HB3 HIS 35 -9.509 -2.692 6.472 262 HD1 HIS 35 HD1 HIS 35 -11.910 -3.742 6.096 263 HD2 HIS 35 HD2 HIS 35 -8.990 -4.942 3.395 264 HE1 HIS 35 HE1 HIS 35 -13.151 -4.814 4.192 265 HE2 HIS 35 HE2 HIS 35 -11.351 -5.649 2.622 266 H PHE 36 H PHE 36 -7.098 -0.896 5.954 267 HA PHE 36 HA PHE 36 -5.713 -1.552 8.429 268 HB2 PHE 36 HB2 PHE 36 -3.748 -0.074 7.617 269 HB3 PHE 36 HB3 PHE 36 -3.825 -1.746 7.082 270 HD1 PHE 36 HD1 PHE 36 -4.573 1.738 6.044 271 HD2 PHE 36 HD2 PHE 36 -3.897 -2.280 4.828 272 HE1 PHE 36 HE1 PHE 36 -4.469 2.469 3.702 273 HE2 PHE 36 HE2 PHE 36 -3.790 -1.559 2.492 274 HZ PHE 36 HZ PHE 36 -4.081 0.822 1.922 275 HH31 ALY 37 HH31 ALY 37 -7.846 -2.410 15.557 276 HH32 ALY 37 HH32 ALY 37 -6.586 -3.599 15.167 277 HH33 ALY 37 HH33 ALY 37 -8.136 -3.604 14.300 278 HZ ALY 37 HZ ALY 37 -8.274 -1.632 12.470 279 HE3 ALY 37 HE3 ALY 37 -8.445 0.072 14.545 280 HE2 ALY 37 HE2 ALY 37 -7.030 0.660 13.676 281 HD3 ALY 37 HD3 ALY 37 -9.798 0.309 12.516 282 HD2 ALY 37 HD2 ALY 37 -9.064 1.841 12.991 283 HG3 ALY 37 HG3 ALY 37 -7.964 -0.008 10.870 284 HG2 ALY 37 HG2 ALY 37 -8.953 1.417 10.550 285 HB3 ALY 37 HB3 ALY 37 -7.272 2.826 11.620 286 HB2 ALY 37 HB2 ALY 37 -6.282 1.410 11.939 287 HCA ALY 37 HCA ALY 37 -6.982 2.537 9.220 288 H ALY 37 H ALY 37 -5.521 0.085 9.875 289 H VAL 38 H VAL 38 -5.369 3.734 8.313 290 HA VAL 38 HA VAL 38 -2.896 4.099 9.820 291 HB VAL 38 HB VAL 38 -2.037 5.247 7.812 292 HG11 VAL 38 HG11 VAL 38 -1.905 3.283 6.354 293 HG12 VAL 38 HG12 VAL 38 -3.214 2.533 7.269 294 HG13 VAL 38 HG13 VAL 38 -1.676 2.874 8.053 295 HG21 VAL 38 HG21 VAL 38 -3.316 5.195 5.716 296 HG22 VAL 38 HG22 VAL 38 -4.132 6.152 6.953 297 HG23 VAL 38 HG23 VAL 38 -4.698 4.524 6.584 298 H LYS 39 H LYS 39 -2.158 6.591 9.077 299 HA LYS 39 HA LYS 39 -4.156 8.204 10.482 300 HB2 LYS 39 HB2 LYS 39 -1.801 7.948 11.416 301 HB3 LYS 39 HB3 LYS 39 -1.253 8.894 10.040 302 HG2 LYS 39 HG2 LYS 39 -2.525 10.790 10.757 303 HG3 LYS 39 HG3 LYS 39 -3.284 9.848 12.042 304 HD2 LYS 39 HD2 LYS 39 -1.019 9.499 13.022 305 HD3 LYS 39 HD3 LYS 39 -0.378 10.611 11.811 306 HE2 LYS 39 HE2 LYS 39 -1.813 12.379 12.650 307 HE3 LYS 39 HE3 LYS 39 -2.515 11.271 13.831 308 HZ1 LYS 39 HZ1 LYS 39 -0.832 12.664 14.829 309 HZ2 LYS 39 HZ2 LYS 39 0.319 12.134 13.710 310 HZ3 LYS 39 HZ3 LYS 39 -0.323 11.047 14.832 311 H MET 40 H MET 40 -4.517 10.394 9.727 312 HA MET 40 HA MET 40 -5.088 10.681 7.045 313 HB2 MET 40 HB2 MET 40 -5.938 12.140 8.866 314 HB3 MET 40 HB3 MET 40 -4.359 12.899 8.961 315 HG2 MET 40 HG2 MET 40 -5.789 14.350 7.740 316 HG3 MET 40 HG3 MET 40 -4.651 13.645 6.596 317 HE1 MET 40 HE1 MET 40 -5.455 11.243 5.218 318 HE2 MET 40 HE2 MET 40 -5.368 12.788 4.377 319 HE3 MET 40 HE3 MET 40 -6.755 11.728 4.129 320 H THR 41 H THR 41 -2.091 11.391 8.741 321 HA THR 41 HA THR 41 -0.843 11.729 6.127 322 HB THR 41 HB THR 41 0.679 13.390 7.136 323 HG1 THR 41 HG1 THR 41 0.385 12.569 9.334 324 HG21 THR 41 HG21 THR 41 -1.421 14.131 6.035 325 HG22 THR 41 HG22 THR 41 -0.911 15.236 7.317 326 HG23 THR 41 HG23 THR 41 -2.227 14.090 7.601 327 H THR 42 H THR 42 0.517 10.063 5.846 328 HA THR 42 HA THR 42 2.541 9.375 7.667 329 HB THR 42 HB THR 42 0.568 8.263 8.816 330 HG1 THR 42 HG1 THR 42 2.456 7.311 9.335 331 HG21 THR 42 HG21 THR 42 -0.700 7.600 6.835 332 HG22 THR 42 HG22 THR 42 -0.293 6.181 7.805 333 HG23 THR 42 HG23 THR 42 0.617 6.537 6.338 334 H HIS 43 H HIS 43 3.599 7.222 6.854 335 HA HIS 43 HA HIS 43 3.657 7.420 3.942 336 HB2 HIS 43 HB2 HIS 43 5.545 6.162 5.924 337 HB3 HIS 43 HB3 HIS 43 5.739 6.003 4.182 338 HD1 HIS 43 HD1 HIS 43 6.686 8.115 6.948 339 HD2 HIS 43 HD2 HIS 43 6.001 8.659 2.887 340 HE1 HIS 43 HE1 HIS 43 7.800 10.275 6.361 341 HE2 HIS 43 HE2 HIS 43 7.163 10.698 3.971 342 H LEU 44 H LEU 44 2.740 5.968 2.675 343 HA LEU 44 HA LEU 44 1.160 3.875 3.681 344 HB2 LEU 44 HB2 LEU 44 2.139 4.325 0.870 345 HB3 LEU 44 HB3 LEU 44 0.851 3.229 1.326 346 HG LEU 44 HG LEU 44 0.837 6.236 1.486 347 HD11 LEU 44 HD11 LEU 44 -0.767 4.243 -0.092 348 HD12 LEU 44 HD12 LEU 44 0.401 5.412 -0.710 349 HD13 LEU 44 HD13 LEU 44 -1.116 5.969 -0.008 350 HD21 LEU 44 HD21 LEU 44 -1.233 4.284 2.496 351 HD22 LEU 44 HD22 LEU 44 -1.457 6.027 2.362 352 HD23 LEU 44 HD23 LEU 44 -0.259 5.375 3.479 353 H LYS 45 H LYS 45 4.467 3.920 3.239 354 HA LYS 45 HA LYS 45 5.042 1.344 2.354 355 HB2 LYS 45 HB2 LYS 45 6.630 3.302 2.694 356 HB3 LYS 45 HB3 LYS 45 6.626 2.902 4.401 357 HG2 LYS 45 HG2 LYS 45 7.298 0.755 2.471 358 HG3 LYS 45 HG3 LYS 45 8.489 2.020 2.737 359 HD2 LYS 45 HD2 LYS 45 7.247 0.284 4.869 360 HD3 LYS 45 HD3 LYS 45 8.866 0.092 4.194 361 HE2 LYS 45 HE2 LYS 45 9.380 2.411 4.984 362 HE3 LYS 45 HE3 LYS 45 7.826 2.421 5.806 363 HZ1 LYS 45 HZ1 LYS 45 9.471 1.777 7.382 364 HZ2 LYS 45 HZ2 LYS 45 10.120 0.628 6.336 365 HZ3 LYS 45 HZ3 LYS 45 8.594 0.372 7.006 366 H LYS 46 H LYS 46 3.862 2.526 5.414 367 HA LYS 46 HA LYS 46 4.538 0.290 7.016 368 HB2 LYS 46 HB2 LYS 46 3.132 1.238 8.687 369 HB3 LYS 46 HB3 LYS 46 3.815 2.605 7.826 370 HG2 LYS 46 HG2 LYS 46 1.636 3.282 7.988 371 HG3 LYS 46 HG3 LYS 46 1.565 2.426 6.446 372 HD2 LYS 46 HD2 LYS 46 -0.290 1.592 7.607 373 HD3 LYS 46 HD3 LYS 46 0.943 0.361 7.866 374 HE2 LYS 46 HE2 LYS 46 1.477 1.771 10.015 375 HE3 LYS 46 HE3 LYS 46 -0.163 2.376 9.767 376 HZ1 LYS 46 HZ1 LYS 46 -0.167 0.497 11.253 377 HZ2 LYS 46 HZ2 LYS 46 0.610 -0.469 10.115 378 HZ3 LYS 46 HZ3 LYS 46 -0.964 0.087 9.821 379 H LEU 47 H LEU 47 1.962 0.913 4.757 380 HA LEU 47 HA LEU 47 0.351 -1.302 5.709 381 HB2 LEU 47 HB2 LEU 47 -1.287 -0.702 4.168 382 HB3 LEU 47 HB3 LEU 47 -0.590 0.826 4.655 383 HG LEU 47 HG LEU 47 0.868 0.422 2.468 384 HD11 LEU 47 HD11 LEU 47 -1.717 -1.007 1.878 385 HD12 LEU 47 HD12 LEU 47 -0.113 -1.739 1.940 386 HD13 LEU 47 HD13 LEU 47 -0.494 -0.551 0.691 387 HD21 LEU 47 HD21 LEU 47 -0.457 2.364 2.899 388 HD22 LEU 47 HD22 LEU 47 -1.942 1.474 2.560 389 HD23 LEU 47 HD23 LEU 47 -0.783 1.787 1.264 390 H LYS 48 H LYS 48 2.741 -0.652 3.266 391 HA LYS 48 HA LYS 48 2.440 -2.994 1.728 392 HB2 LYS 48 HB2 LYS 48 4.688 -1.131 2.296 393 HB3 LYS 48 HB3 LYS 48 5.108 -2.715 1.669 394 HG2 LYS 48 HG2 LYS 48 4.982 -1.243 -0.161 395 HG3 LYS 48 HG3 LYS 48 3.550 -2.271 -0.237 396 HD2 LYS 48 HD2 LYS 48 2.166 -0.521 0.594 397 HD3 LYS 48 HD3 LYS 48 3.568 0.487 0.980 398 HE2 LYS 48 HE2 LYS 48 2.395 -0.203 -1.687 399 HE3 LYS 48 HE3 LYS 48 2.795 1.383 -1.025 400 HZ1 LYS 48 HZ1 LYS 48 5.185 0.663 -1.132 401 HZ2 LYS 48 HZ2 LYS 48 4.436 0.863 -2.647 402 HZ3 LYS 48 HZ3 LYS 48 4.678 -0.687 -2.018 403 H GLU 49 H GLU 49 4.478 -2.327 4.575 404 HA GLU 49 HA GLU 49 5.482 -4.855 5.015 405 HB2 GLU 49 HB2 GLU 49 4.572 -2.951 7.169 406 HB3 GLU 49 HB3 GLU 49 5.817 -4.185 7.298 407 HG2 GLU 49 HG2 GLU 49 7.144 -2.970 5.641 408 HG3 GLU 49 HG3 GLU 49 5.922 -1.707 5.604 409 H SER 50 H SER 50 2.540 -3.414 6.355 410 HA SER 50 HA SER 50 1.625 -5.612 7.789 411 HB2 SER 50 HB2 SER 50 0.688 -3.314 7.951 412 HB3 SER 50 HB3 SER 50 -0.068 -3.533 6.374 413 HG SER 50 HG SER 50 -0.975 -5.533 7.542 414 H TYR 51 H TYR 51 1.452 -4.944 4.377 415 HA TYR 51 HA TYR 51 -0.548 -6.933 3.807 416 HB2 TYR 51 HB2 TYR 51 0.060 -4.881 2.362 417 HB3 TYR 51 HB3 TYR 51 1.417 -5.845 1.792 418 HD1 TYR 51 HD1 TYR 51 0.612 -8.352 1.062 419 HD2 TYR 51 HD2 TYR 51 -1.791 -4.854 1.013 420 HE1 TYR 51 HE1 TYR 51 -0.848 -9.391 -0.627 421 HE2 TYR 51 HE2 TYR 51 -3.266 -5.888 -0.680 422 HH TYR 51 HH TYR 51 -3.245 -7.600 -2.321 423 H CYS 52 H CYS 52 2.973 -6.745 3.346 424 HA CYS 52 HA CYS 52 3.237 -9.435 2.479 425 HB2 CYS 52 HB2 CYS 52 4.943 -7.771 1.959 426 HB3 CYS 52 HB3 CYS 52 5.346 -7.573 3.644 427 HG CYS 52 HG CYS 52 5.971 -10.213 1.596 428 H GLN 53 H GLN 53 3.134 -7.952 5.617 429 HA GLN 53 HA GLN 53 4.162 -10.201 7.049 430 HB2 GLN 53 HB2 GLN 53 2.618 -7.758 7.902 431 HB3 GLN 53 HB3 GLN 53 3.091 -9.014 9.037 432 HG2 GLN 53 HG2 GLN 53 5.090 -7.652 7.280 433 HG3 GLN 53 HG3 GLN 53 4.599 -6.950 8.821 434 HE21 GLN 53 HE21 GLN 53 6.297 -9.518 7.237 435 HE22 GLN 53 HE22 GLN 53 7.083 -10.148 8.640 436 H ARG 54 H ARG 54 0.994 -9.227 5.957 437 HA ARG 54 HA ARG 54 -0.289 -11.269 7.570 438 HB2 ARG 54 HB2 ARG 54 -1.260 -8.978 7.201 439 HB3 ARG 54 HB3 ARG 54 -1.546 -9.452 5.533 440 HG2 ARG 54 HG2 ARG 54 -3.586 -9.711 6.745 441 HG3 ARG 54 HG3 ARG 54 -2.963 -11.317 6.367 442 HD2 ARG 54 HD2 ARG 54 -2.512 -9.930 9.007 443 HD3 ARG 54 HD3 ARG 54 -3.860 -11.024 8.712 444 HE ARG 54 HE ARG 54 -2.026 -12.703 8.151 445 HH11 ARG 54 HH11 ARG 54 -1.660 -10.155 10.551 446 HH12 ARG 54 HH12 ARG 54 -0.454 -11.000 11.452 447 HH21 ARG 54 HH21 ARG 54 -0.435 -13.829 9.343 448 HH22 ARG 54 HH22 ARG 54 0.244 -13.120 10.770 449 H GLN 55 H GLN 55 0.134 -10.533 4.104 450 HA GLN 55 HA GLN 55 -1.062 -13.097 3.418 451 HB2 GLN 55 HB2 GLN 55 -0.271 -10.672 1.849 452 HB3 GLN 55 HB3 GLN 55 -0.510 -12.203 1.020 453 HG2 GLN 55 HG2 GLN 55 -2.535 -10.981 0.866 454 HG3 GLN 55 HG3 GLN 55 -2.801 -12.293 2.008 455 HE21 GLN 55 HE21 GLN 55 -1.079 -9.311 2.735 456 HE22 GLN 55 HE22 GLN 55 -2.262 -8.696 3.837 457 H GLY 56 H GLY 56 2.038 -11.859 3.979 458 HA2 GLY 56 HA2 GLY 56 4.117 -12.820 3.838 459 HA3 GLY 56 HA3 GLY 56 3.306 -14.341 3.495 460 H VAL 57 H VAL 57 2.579 -11.790 1.334 461 HA VAL 57 HA VAL 57 4.080 -13.168 -0.747 462 HB VAL 57 HB VAL 57 2.752 -11.757 -2.335 463 HG11 VAL 57 HG11 VAL 57 1.179 -13.400 -0.359 464 HG12 VAL 57 HG12 VAL 57 2.034 -14.003 -1.780 465 HG13 VAL 57 HG13 VAL 57 0.635 -12.946 -1.974 466 HG21 VAL 57 HG21 VAL 57 1.316 -10.894 0.174 467 HG22 VAL 57 HG22 VAL 57 0.786 -10.568 -1.476 468 HG23 VAL 57 HG23 VAL 57 2.290 -9.866 -0.876 469 HA PRO 58 HA PRO 58 7.235 -10.138 -1.162 470 HB2 PRO 58 HB2 PRO 58 7.659 -10.183 -3.859 471 HB3 PRO 58 HB3 PRO 58 8.209 -11.460 -2.770 472 HG2 PRO 58 HG2 PRO 58 5.781 -11.368 -4.515 473 HG3 PRO 58 HG3 PRO 58 6.906 -12.709 -4.230 474 HD2 PRO 58 HD2 PRO 58 4.506 -12.562 -3.020 475 HD3 PRO 58 HD3 PRO 58 5.923 -13.269 -2.222 476 H MET 59 H MET 59 6.632 -8.091 -0.744 477 HA MET 59 HA MET 59 4.661 -6.704 -2.252 478 HB2 MET 59 HB2 MET 59 6.390 -6.029 0.074 479 HB3 MET 59 HB3 MET 59 5.565 -4.728 -0.785 480 HG2 MET 59 HG2 MET 59 4.262 -7.143 0.419 481 HG3 MET 59 HG3 MET 59 4.330 -5.547 1.175 482 HE1 MET 59 HE1 MET 59 2.008 -7.892 -0.574 483 HE2 MET 59 HE2 MET 59 3.165 -7.649 -1.873 484 HE3 MET 59 HE3 MET 59 1.509 -7.072 -2.052 485 H ASN 60 H ASN 60 7.859 -7.210 -2.952 486 HA ASN 60 HA ASN 60 8.228 -4.626 -4.238 487 HB2 ASN 60 HB2 ASN 60 10.046 -7.001 -3.913 488 HB3 ASN 60 HB3 ASN 60 10.472 -5.601 -4.892 489 HD21 ASN 60 HD21 ASN 60 9.684 -6.688 -1.671 490 HD22 ASN 60 HD22 ASN 60 10.399 -5.359 -0.843 491 H SER 61 H SER 61 7.767 -7.991 -5.122 492 HA SER 61 HA SER 61 8.126 -7.883 -7.851 493 HB2 SER 61 HB2 SER 61 6.047 -9.522 -6.397 494 HB3 SER 61 HB3 SER 61 6.741 -9.871 -7.980 495 HG SER 61 HG SER 61 8.267 -10.861 -6.961 496 H LEU 62 H LEU 62 5.466 -6.566 -6.030 497 HA LEU 62 HA LEU 62 4.281 -5.698 -8.547 498 HB2 LEU 62 HB2 LEU 62 2.072 -5.634 -7.189 499 HB3 LEU 62 HB3 LEU 62 2.621 -7.136 -7.881 500 HG LEU 62 HG LEU 62 1.611 -7.261 -5.584 501 HD11 LEU 62 HD11 LEU 62 4.380 -8.344 -5.940 502 HD12 LEU 62 HD12 LEU 62 2.871 -9.083 -6.480 503 HD13 LEU 62 HD13 LEU 62 3.200 -8.907 -4.756 504 HD21 LEU 62 HD21 LEU 62 2.632 -5.283 -4.603 505 HD22 LEU 62 HD22 LEU 62 4.227 -6.027 -4.734 506 HD23 LEU 62 HD23 LEU 62 3.010 -6.726 -3.668 507 H ARG 63 H ARG 63 2.810 -3.723 -8.170 508 HA ARG 63 HA ARG 63 4.021 -2.025 -6.114 509 HB2 ARG 63 HB2 ARG 63 4.011 -0.092 -7.617 510 HB3 ARG 63 HB3 ARG 63 5.071 -1.364 -8.192 511 HG2 ARG 63 HG2 ARG 63 2.285 -1.105 -9.253 512 HG3 ARG 63 HG3 ARG 63 3.580 -0.079 -9.866 513 HD2 ARG 63 HD2 ARG 63 4.862 -2.304 -10.183 514 HD3 ARG 63 HD3 ARG 63 3.269 -3.048 -10.032 515 HE ARG 63 HE ARG 63 2.583 -1.901 -12.011 516 HH11 ARG 63 HH11 ARG 63 6.014 -1.630 -11.324 517 HH12 ARG 63 HH12 ARG 63 6.434 -1.164 -12.935 518 HH21 ARG 63 HH21 ARG 63 3.149 -1.278 -14.149 519 HH22 ARG 63 HH22 ARG 63 4.802 -0.959 -14.545 520 H PHE 64 H PHE 64 2.732 0.035 -5.795 521 HA PHE 64 HA PHE 64 -0.088 -0.762 -5.636 522 HB2 PHE 64 HB2 PHE 64 1.644 0.814 -3.740 523 HB3 PHE 64 HB3 PHE 64 -0.110 0.879 -3.657 524 HD1 PHE 64 HD1 PHE 64 2.488 -1.795 -3.984 525 HD2 PHE 64 HD2 PHE 64 -1.017 -0.408 -2.014 526 HE1 PHE 64 HE1 PHE 64 2.492 -3.802 -2.572 527 HE2 PHE 64 HE2 PHE 64 -1.016 -2.415 -0.599 528 HZ PHE 64 HZ PHE 64 0.737 -4.115 -0.877 529 H LEU 65 H LEU 65 -1.304 0.329 -6.947 530 HA LEU 65 HA LEU 65 -0.673 3.167 -7.449 531 HB2 LEU 65 HB2 LEU 65 -1.987 1.340 -9.438 532 HB3 LEU 65 HB3 LEU 65 -1.397 2.980 -9.695 533 HG LEU 65 HG LEU 65 0.331 0.541 -9.233 534 HD11 LEU 65 HD11 LEU 65 -0.742 0.525 -11.416 535 HD12 LEU 65 HD12 LEU 65 0.987 0.848 -11.567 536 HD13 LEU 65 HD13 LEU 65 -0.175 2.167 -11.720 537 HD21 LEU 65 HD21 LEU 65 2.197 2.015 -9.767 538 HD22 LEU 65 HD22 LEU 65 1.333 2.582 -8.335 539 HD23 LEU 65 HD23 LEU 65 1.092 3.386 -9.886 540 H PHE 66 H PHE 66 -2.267 4.549 -7.282 541 HA PHE 66 HA PHE 66 -4.917 3.490 -6.554 542 HB2 PHE 66 HB2 PHE 66 -4.044 4.594 -4.644 543 HB3 PHE 66 HB3 PHE 66 -3.428 5.932 -5.592 544 HD1 PHE 66 HD1 PHE 66 -6.804 4.348 -5.556 545 HD2 PHE 66 HD2 PHE 66 -4.470 7.825 -4.803 546 HE1 PHE 66 HE1 PHE 66 -8.850 5.617 -5.120 547 HE2 PHE 66 HE2 PHE 66 -6.520 9.108 -4.356 548 HZ PHE 66 HZ PHE 66 -8.715 8.004 -4.514 549 H GLU 67 H GLU 67 -6.104 3.602 -8.339 550 HA GLU 67 HA GLU 67 -7.049 4.334 -10.267 551 HB2 GLU 67 HB2 GLU 67 -8.290 6.407 -10.067 552 HB3 GLU 67 HB3 GLU 67 -8.305 5.562 -8.531 553 HG2 GLU 67 HG2 GLU 67 -6.844 7.096 -7.541 554 HG3 GLU 67 HG3 GLU 67 -6.349 7.751 -9.100 555 H GLY 68 H GLY 68 -4.205 4.480 -10.365 556 HA2 GLY 68 HA2 GLY 68 -2.986 5.129 -12.341 557 HA3 GLY 68 HA3 GLY 68 -3.905 6.625 -12.364 558 H GLN 69 H GLN 69 -3.138 6.126 -9.211 559 HA GLN 69 HA GLN 69 -0.963 8.032 -9.318 560 HB2 GLN 69 HB2 GLN 69 -2.709 6.919 -7.162 561 HB3 GLN 69 HB3 GLN 69 -1.200 7.711 -6.737 562 HG2 GLN 69 HG2 GLN 69 -3.223 9.035 -8.489 563 HG3 GLN 69 HG3 GLN 69 -3.350 9.075 -6.728 564 HE21 GLN 69 HE21 GLN 69 -1.349 9.979 -9.467 565 HE22 GLN 69 HE22 GLN 69 -0.516 11.240 -8.627 566 H ARG 70 H ARG 70 1.042 7.633 -8.611 567 HA ARG 70 HA ARG 70 1.735 4.807 -8.378 568 HB2 ARG 70 HB2 ARG 70 3.894 5.268 -9.249 569 HB3 ARG 70 HB3 ARG 70 2.777 6.231 -10.208 570 HG2 ARG 70 HG2 ARG 70 4.328 7.376 -7.903 571 HG3 ARG 70 HG3 ARG 70 4.944 7.342 -9.553 572 HD2 ARG 70 HD2 ARG 70 3.084 8.674 -10.313 573 HD3 ARG 70 HD3 ARG 70 2.345 8.602 -8.720 574 HE ARG 70 HE ARG 70 4.788 9.694 -8.263 575 HH11 ARG 70 HH11 ARG 70 2.082 10.513 -10.348 576 HH12 ARG 70 HH12 ARG 70 2.371 12.217 -10.264 577 HH21 ARG 70 HH21 ARG 70 5.168 11.958 -8.150 578 HH22 ARG 70 HH22 ARG 70 4.131 13.041 -9.009 579 H ILE 71 H ILE 71 2.112 4.046 -6.442 580 HA ILE 71 HA ILE 71 3.116 5.906 -4.401 581 HB ILE 71 HB ILE 71 1.386 3.446 -3.997 582 HG12 ILE 71 HG12 ILE 71 -0.146 5.230 -2.908 583 HG13 ILE 71 HG13 ILE 71 0.830 6.405 -3.777 584 HG21 ILE 71 HG21 ILE 71 3.058 3.702 -2.218 585 HG22 ILE 71 HG22 ILE 71 1.416 3.953 -1.629 586 HG23 ILE 71 HG23 ILE 71 2.472 5.339 -1.915 587 HD11 ILE 71 HD11 ILE 71 -1.218 5.898 -4.976 588 HD12 ILE 71 HD12 ILE 71 -0.793 4.188 -5.015 589 HD13 ILE 71 HD13 ILE 71 0.185 5.361 -5.896 590 H ALA 72 H ALA 72 5.311 5.541 -4.677 591 HA ALA 72 HA ALA 72 6.182 2.764 -4.348 592 HB1 ALA 72 HB1 ALA 72 7.052 3.959 -6.312 593 HB2 ALA 72 HB2 ALA 72 8.337 3.486 -5.200 594 HB3 ALA 72 HB3 ALA 72 7.781 5.159 -5.246 595 H ASP 73 H ASP 73 5.545 2.960 -2.109 596 HA ASP 73 HA ASP 73 5.865 3.316 0.121 597 HB2 ASP 73 HB2 ASP 73 8.686 2.781 -0.804 598 HB3 ASP 73 HB3 ASP 73 8.151 2.711 0.875 599 H ASN 74 H ASN 74 5.546 5.778 -0.970 600 HA ASN 74 HA ASN 74 7.136 7.375 0.808 601 HB2 ASN 74 HB2 ASN 74 8.083 8.861 -0.843 602 HB3 ASN 74 HB3 ASN 74 8.582 7.213 -1.197 603 HD21 ASN 74 HD21 ASN 74 8.423 9.564 -2.888 604 HD22 ASN 74 HD22 ASN 74 7.400 9.130 -4.206 605 H HIS 75 H HIS 75 4.685 7.189 -1.678 606 HA HIS 75 HA HIS 75 3.586 9.745 -1.365 607 HB2 HIS 75 HB2 HIS 75 3.097 7.508 -2.964 608 HB3 HIS 75 HB3 HIS 75 1.599 7.761 -2.075 609 HD1 HIS 75 HD1 HIS 75 2.882 8.559 -5.199 610 HD2 HIS 75 HD2 HIS 75 1.096 10.846 -2.220 611 HE1 HIS 75 HE1 HIS 75 2.010 10.606 -6.347 612 HE2 HIS 75 HE2 HIS 75 1.138 12.070 -4.508 613 H THR 76 H THR 76 1.777 10.459 -0.241 614 HA THR 76 HA THR 76 1.115 8.868 2.142 615 HB THR 76 HB THR 76 0.647 11.054 3.247 616 HG1 THR 76 HG1 THR 76 1.999 12.700 1.694 617 HG21 THR 76 HG21 THR 76 2.974 11.744 3.518 618 HG22 THR 76 HG22 THR 76 3.423 10.826 2.080 619 HG23 THR 76 HG23 THR 76 2.837 9.987 3.519 620 HA PRO 77 HA PRO 77 -3.157 8.827 1.035 621 HB2 PRO 77 HB2 PRO 77 -4.360 9.464 3.449 622 HB3 PRO 77 HB3 PRO 77 -3.771 7.856 3.017 623 HG2 PRO 77 HG2 PRO 77 -2.472 9.971 4.675 624 HG3 PRO 77 HG3 PRO 77 -2.494 8.214 4.907 625 HD2 PRO 77 HD2 PRO 77 -0.351 9.497 3.918 626 HD3 PRO 77 HD3 PRO 77 -0.799 7.867 3.376 627 H LYS 78 H LYS 78 -1.949 11.657 2.719 628 HA LYS 78 HA LYS 78 -4.244 13.287 2.105 629 HB2 LYS 78 HB2 LYS 78 -2.909 15.139 3.036 630 HB3 LYS 78 HB3 LYS 78 -2.892 13.746 4.101 631 HG2 LYS 78 HG2 LYS 78 -0.682 13.273 3.688 632 HG3 LYS 78 HG3 LYS 78 -0.688 14.088 2.127 633 HD2 LYS 78 HD2 LYS 78 -0.833 16.253 3.269 634 HD3 LYS 78 HD3 LYS 78 -0.809 15.434 4.829 635 HE2 LYS 78 HE2 LYS 78 1.392 14.515 4.317 636 HE3 LYS 78 HE3 LYS 78 1.359 15.306 2.743 637 HZ1 LYS 78 HZ1 LYS 78 2.650 16.582 4.311 638 HZ2 LYS 78 HZ2 LYS 78 1.348 16.671 5.378 639 HZ3 LYS 78 HZ3 LYS 78 1.265 17.449 3.882 640 H GLU 79 H GLU 79 -1.130 12.609 0.714 641 HA GLU 79 HA GLU 79 -1.129 14.824 -1.100 642 HB2 GLU 79 HB2 GLU 79 0.893 13.728 -0.120 643 HB3 GLU 79 HB3 GLU 79 0.555 12.328 -1.119 644 HG2 GLU 79 HG2 GLU 79 2.196 13.539 -2.259 645 HG3 GLU 79 HG3 GLU 79 0.679 13.889 -3.092 646 H LEU 80 H LEU 80 -2.272 11.570 -1.111 647 HA LEU 80 HA LEU 80 -2.469 11.335 -3.986 648 HB2 LEU 80 HB2 LEU 80 -3.596 9.691 -1.731 649 HB3 LEU 80 HB3 LEU 80 -3.737 9.276 -3.429 650 HG LEU 80 HG LEU 80 -1.051 9.676 -2.166 651 HD11 LEU 80 HD11 LEU 80 -0.968 7.297 -1.731 652 HD12 LEU 80 HD12 LEU 80 -2.648 7.124 -2.259 653 HD13 LEU 80 HD13 LEU 80 -2.265 8.058 -0.810 654 HD21 LEU 80 HD21 LEU 80 -2.042 8.062 -4.508 655 HD22 LEU 80 HD22 LEU 80 -0.370 8.163 -3.954 656 HD23 LEU 80 HD23 LEU 80 -1.176 9.597 -4.589 657 H GLY 81 H GLY 81 -4.302 12.859 -1.560 658 HA2 GLY 81 HA2 GLY 81 -6.265 14.065 -1.820 659 HA3 GLY 81 HA3 GLY 81 -6.353 13.486 -3.476 660 H MET 82 H MET 82 -6.041 11.136 -0.899 661 HA MET 82 HA MET 82 -8.786 10.318 -1.539 662 HB2 MET 82 HB2 MET 82 -8.161 8.035 -1.143 663 HB3 MET 82 HB3 MET 82 -7.024 8.735 -2.279 664 HG2 MET 82 HG2 MET 82 -5.418 9.027 -0.419 665 HG3 MET 82 HG3 MET 82 -6.559 8.206 0.646 666 HE1 MET 82 HE1 MET 82 -5.021 6.336 1.382 667 HE2 MET 82 HE2 MET 82 -3.653 7.024 0.499 668 HE3 MET 82 HE3 MET 82 -4.055 5.316 0.320 669 H GLU 83 H GLU 83 -9.587 8.738 0.352 670 HA GLU 83 HA GLU 83 -8.996 9.916 2.959 671 HB2 GLU 83 HB2 GLU 83 -11.375 10.348 3.421 672 HB3 GLU 83 HB3 GLU 83 -10.797 11.324 2.079 673 HG2 GLU 83 HG2 GLU 83 -11.888 9.926 0.497 674 HG3 GLU 83 HG3 GLU 83 -12.298 8.746 1.738 675 H GLU 84 H GLU 84 -11.298 8.704 4.223 676 HA GLU 84 HA GLU 84 -10.301 6.046 4.458 677 HB2 GLU 84 HB2 GLU 84 -12.033 5.703 6.109 678 HB3 GLU 84 HB3 GLU 84 -11.273 7.261 6.374 679 HG2 GLU 84 HG2 GLU 84 -13.141 8.406 5.424 680 HG3 GLU 84 HG3 GLU 84 -13.882 6.878 4.943 681 H GLU 85 H GLU 85 -11.517 4.116 4.135 682 HA GLU 85 HA GLU 85 -12.702 2.635 2.935 683 HB2 GLU 85 HB2 GLU 85 -14.654 4.083 3.687 684 HB3 GLU 85 HB3 GLU 85 -14.562 4.877 2.121 685 HG2 GLU 85 HG2 GLU 85 -14.932 2.690 1.030 686 HG3 GLU 85 HG3 GLU 85 -15.121 1.961 2.622 687 H ASP 86 H ASP 86 -10.579 4.429 1.766 688 HA ASP 86 HA ASP 86 -11.284 4.504 -1.018 689 HB2 ASP 86 HB2 ASP 86 -9.174 5.545 0.664 690 HB3 ASP 86 HB3 ASP 86 -8.546 4.875 -0.837 691 H VAL 87 H VAL 87 -9.988 3.425 -2.649 692 HA VAL 87 HA VAL 87 -9.028 0.828 -1.696 693 HB VAL 87 HB VAL 87 -11.217 0.520 -2.708 694 HG11 VAL 87 HG11 VAL 87 -11.643 1.021 -5.061 695 HG12 VAL 87 HG12 VAL 87 -10.056 1.777 -5.189 696 HG13 VAL 87 HG13 VAL 87 -11.286 2.481 -4.139 697 HG21 VAL 87 HG21 VAL 87 -10.640 -1.134 -4.438 698 HG22 VAL 87 HG22 VAL 87 -9.595 -1.261 -3.023 699 HG23 VAL 87 HG23 VAL 87 -9.001 -0.488 -4.493 700 H ILE 88 H ILE 88 -7.168 0.175 -2.416 701 HA ILE 88 HA ILE 88 -5.821 1.743 -4.528 702 HB ILE 88 HB ILE 88 -4.427 0.089 -2.416 703 HG12 ILE 88 HG12 ILE 88 -5.706 1.934 -1.337 704 HG13 ILE 88 HG13 ILE 88 -3.965 2.133 -1.174 705 HG21 ILE 88 HG21 ILE 88 -3.401 2.248 -4.246 706 HG22 ILE 88 HG22 ILE 88 -3.172 0.515 -4.460 707 HG23 ILE 88 HG23 ILE 88 -2.445 1.335 -3.074 708 HD11 ILE 88 HD11 ILE 88 -5.682 3.548 -3.195 709 HD12 ILE 88 HD12 ILE 88 -3.961 3.805 -2.895 710 HD13 ILE 88 HD13 ILE 88 -5.144 4.225 -1.659 711 H GLU 89 H GLU 89 -4.561 0.556 -6.068 712 HA GLU 89 HA GLU 89 -5.394 -2.254 -6.262 713 HB2 GLU 89 HB2 GLU 89 -4.743 -0.439 -8.576 714 HB3 GLU 89 HB3 GLU 89 -5.490 -2.032 -8.635 715 HG2 GLU 89 HG2 GLU 89 -7.364 -0.966 -7.243 716 HG3 GLU 89 HG3 GLU 89 -6.658 0.562 -7.733 717 H VAL 90 H VAL 90 -3.842 -3.732 -6.507 718 HA VAL 90 HA VAL 90 -1.094 -2.722 -6.696 719 HB VAL 90 HB VAL 90 -2.058 -5.321 -5.481 720 HG11 VAL 90 HG11 VAL 90 0.693 -4.112 -5.586 721 HG12 VAL 90 HG12 VAL 90 0.150 -5.562 -6.431 722 HG13 VAL 90 HG13 VAL 90 0.239 -5.546 -4.668 723 HG21 VAL 90 HG21 VAL 90 -2.680 -3.410 -4.129 724 HG22 VAL 90 HG22 VAL 90 -1.021 -2.807 -4.206 725 HG23 VAL 90 HG23 VAL 90 -1.373 -4.311 -3.355 726 H TYR 91 H TYR 91 -0.237 -2.952 -8.596 727 HA TYR 91 HA TYR 91 -1.151 -5.103 -10.366 728 HB2 TYR 91 HB2 TYR 91 0.450 -2.607 -10.936 729 HB3 TYR 91 HB3 TYR 91 -0.026 -3.796 -12.140 730 HD1 TYR 91 HD1 TYR 91 -1.306 -1.264 -9.770 731 HD2 TYR 91 HD2 TYR 91 -2.202 -3.741 -13.105 732 HE1 TYR 91 HE1 TYR 91 -3.408 -0.044 -10.099 733 HE2 TYR 91 HE2 TYR 91 -4.313 -2.523 -13.444 734 HH TYR 91 HH TYR 91 -5.884 -1.156 -12.105 735 H GLN 92 H GLN 92 0.224 -6.647 -11.133 736 HA GLN 92 HA GLN 92 2.749 -6.889 -9.700 737 HB2 GLN 92 HB2 GLN 92 0.952 -8.756 -10.057 738 HB3 GLN 92 HB3 GLN 92 1.699 -8.930 -11.637 739 HG2 GLN 92 HG2 GLN 92 3.210 -9.134 -9.038 740 HG3 GLN 92 HG3 GLN 92 2.507 -10.514 -9.872 741 HE21 GLN 92 HE21 GLN 92 5.276 -9.854 -9.207 742 HE22 GLN 92 HE22 GLN 92 6.149 -9.895 -10.692 743 H GLU 93 H GLU 93 4.591 -6.269 -10.545 744 HA GLU 93 HA GLU 93 5.514 -6.849 -13.074 745 HB2 GLU 93 HB2 GLU 93 3.741 -5.213 -13.787 746 HB3 GLU 93 HB3 GLU 93 4.597 -3.966 -12.893 747 HG2 GLU 93 HG2 GLU 93 5.067 -3.928 -15.306 748 HG3 GLU 93 HG3 GLU 93 6.508 -4.190 -14.319 749 H GLN 94 H GLN 94 7.632 -6.065 -13.378 750 HA GLN 94 HA GLN 94 9.041 -5.754 -10.961 751 HB2 GLN 94 HB2 GLN 94 11.030 -5.463 -12.359 752 HB3 GLN 94 HB3 GLN 94 10.054 -6.825 -12.881 753 HG2 GLN 94 HG2 GLN 94 9.184 -5.560 -14.732 754 HG3 GLN 94 HG3 GLN 94 10.011 -4.107 -14.170 755 HE21 GLN 94 HE21 GLN 94 11.459 -7.283 -14.051 756 HE22 GLN 94 HE22 GLN 94 12.630 -6.993 -15.289 757 H THR 95 H THR 95 9.646 -4.044 -9.837 758 HA THR 95 HA THR 95 9.357 -1.383 -11.055 759 HB THR 95 HB THR 95 7.647 -1.833 -9.301 760 HG1 THR 95 HG1 THR 95 9.598 0.164 -9.022 761 HG21 THR 95 HG21 THR 95 10.019 -2.059 -7.438 762 HG22 THR 95 HG22 THR 95 8.936 -3.373 -7.894 763 HG23 THR 95 HG23 THR 95 8.325 -2.019 -6.945 764 H GLY 96 H GLY 96 11.633 -3.132 -11.033 765 HA2 GLY 96 HA2 GLY 96 13.923 -2.377 -11.015 766 HA3 GLY 96 HA3 GLY 96 13.545 -1.411 -9.596 767 H GLY 97 H GLY 97 13.713 -4.782 -10.693 768 HA2 GLY 97 HA2 GLY 97 15.181 -5.493 -8.317 769 HA3 GLY 97 HA3 GLY 97 13.567 -6.189 -8.407 Start of MODEL 20 1 H MET 1 H MET 1 -10.486 -12.510 29.946 2 HA MET 1 HA MET 1 -10.380 -14.459 28.551 3 HB2 MET 1 HB2 MET 1 -8.407 -13.811 27.233 4 HB3 MET 1 HB3 MET 1 -7.393 -13.974 28.656 5 HG2 MET 1 HG2 MET 1 -7.934 -16.374 28.740 6 HG3 MET 1 HG3 MET 1 -8.888 -16.189 27.269 7 HE1 MET 1 HE1 MET 1 -7.459 -18.167 26.153 8 HE2 MET 1 HE2 MET 1 -6.509 -18.311 27.632 9 HE3 MET 1 HE3 MET 1 -5.697 -18.164 26.075 10 H SER 2 H SER 2 -7.681 -13.894 30.810 11 HA SER 2 HA SER 2 -8.463 -16.237 32.312 12 HB2 SER 2 HB2 SER 2 -6.423 -15.565 33.685 13 HB3 SER 2 HB3 SER 2 -6.108 -15.977 31.999 14 HG SER 2 HG SER 2 -5.247 -14.073 31.856 15 H ASP 3 H ASP 3 -8.208 -15.792 34.854 16 HA ASP 3 HA ASP 3 -10.412 -14.223 35.635 17 HB2 ASP 3 HB2 ASP 3 -9.482 -16.169 36.920 18 HB3 ASP 3 HB3 ASP 3 -8.106 -15.169 37.364 19 H GLN 4 H GLN 4 -10.313 -12.277 37.097 20 HA GLN 4 HA GLN 4 -8.003 -10.628 36.393 21 HB2 GLN 4 HB2 GLN 4 -9.573 -8.667 36.297 22 HB3 GLN 4 HB3 GLN 4 -9.739 -9.825 34.988 23 HG2 GLN 4 HG2 GLN 4 -11.712 -10.755 36.000 24 HG3 GLN 4 HG3 GLN 4 -11.516 -9.716 37.413 25 HE21 GLN 4 HE21 GLN 4 -13.717 -9.954 35.480 26 HE22 GLN 4 HE22 GLN 4 -13.949 -8.364 34.848 27 H GLU 5 H GLU 5 -7.942 -8.610 37.833 28 HA GLU 5 HA GLU 5 -8.840 -9.192 40.541 29 HB2 GLU 5 HB2 GLU 5 -6.766 -10.333 40.396 30 HB3 GLU 5 HB3 GLU 5 -5.985 -8.916 39.709 31 HG2 GLU 5 HG2 GLU 5 -6.473 -7.748 41.873 32 HG3 GLU 5 HG3 GLU 5 -6.955 -9.320 42.517 33 H ALA 6 H ALA 6 -9.669 -7.432 41.232 34 HA ALA 6 HA ALA 6 -9.063 -4.833 40.249 35 HB1 ALA 6 HB1 ALA 6 -10.617 -4.018 41.914 36 HB2 ALA 6 HB2 ALA 6 -10.560 -5.560 42.767 37 HB3 ALA 6 HB3 ALA 6 -11.281 -5.469 41.160 38 H LYS 7 H LYS 7 -7.168 -3.904 40.654 39 HA LYS 7 HA LYS 7 -6.139 -3.991 43.386 40 HB2 LYS 7 HB2 LYS 7 -3.821 -3.885 42.056 41 HB3 LYS 7 HB3 LYS 7 -4.581 -5.397 42.518 42 HG2 LYS 7 HG2 LYS 7 -4.081 -5.836 40.337 43 HG3 LYS 7 HG3 LYS 7 -5.713 -5.200 40.162 44 HD2 LYS 7 HD2 LYS 7 -4.439 -4.143 38.490 45 HD3 LYS 7 HD3 LYS 7 -4.619 -2.940 39.770 46 HE2 LYS 7 HE2 LYS 7 -2.337 -2.977 38.930 47 HE3 LYS 7 HE3 LYS 7 -2.389 -3.505 40.612 48 HZ1 LYS 7 HZ1 LYS 7 -2.250 -5.801 39.845 49 HZ2 LYS 7 HZ2 LYS 7 -0.938 -4.899 39.285 50 HZ3 LYS 7 HZ3 LYS 7 -2.204 -5.276 38.236 51 HA PRO 8 HA PRO 8 -5.891 0.359 43.467 52 HB2 PRO 8 HB2 PRO 8 -3.299 0.738 44.411 53 HB3 PRO 8 HB3 PRO 8 -4.725 0.453 45.410 54 HG2 PRO 8 HG2 PRO 8 -2.641 -1.474 44.486 55 HG3 PRO 8 HG3 PRO 8 -3.480 -1.388 46.046 56 HD2 PRO 8 HD2 PRO 8 -4.144 -3.218 44.219 57 HD3 PRO 8 HD3 PRO 8 -5.384 -2.429 45.217 58 H SER 9 H SER 9 -2.737 -0.843 42.394 59 HA SER 9 HA SER 9 -1.989 1.281 40.804 60 HB2 SER 9 HB2 SER 9 -1.459 -1.613 40.113 61 HB3 SER 9 HB3 SER 9 -0.458 -0.215 39.717 62 HG SER 9 HG SER 9 -0.363 0.050 42.121 63 H THR 10 H THR 10 -3.108 2.221 39.235 64 HA THR 10 HA THR 10 -4.994 0.614 37.687 65 HB THR 10 HB THR 10 -4.802 3.622 37.717 66 HG1 THR 10 HG1 THR 10 -5.396 2.044 39.776 67 HG21 THR 10 HG21 THR 10 -7.082 1.717 37.155 68 HG22 THR 10 HG22 THR 10 -6.151 2.592 35.938 69 HG23 THR 10 HG23 THR 10 -7.162 3.478 37.080 70 H GLU 11 H GLU 11 -4.685 0.230 35.585 71 HA GLU 11 HA GLU 11 -2.258 1.002 34.312 72 HB2 GLU 11 HB2 GLU 11 -3.226 -0.180 32.337 73 HB3 GLU 11 HB3 GLU 11 -3.181 -1.151 33.800 74 HG2 GLU 11 HG2 GLU 11 -5.569 -0.684 34.155 75 HG3 GLU 11 HG3 GLU 11 -5.594 0.237 32.651 76 H ASP 12 H ASP 12 -2.389 1.942 31.986 77 HA ASP 12 HA ASP 12 -3.791 4.467 32.251 78 HB2 ASP 12 HB2 ASP 12 -1.365 4.200 31.441 79 HB3 ASP 12 HB3 ASP 12 -2.070 3.657 29.919 80 H LEU 13 H LEU 13 -4.446 5.234 29.779 81 HA LEU 13 HA LEU 13 -6.480 3.260 28.996 82 HB2 LEU 13 HB2 LEU 13 -6.848 6.239 28.798 83 HB3 LEU 13 HB3 LEU 13 -8.065 4.989 28.661 84 HG LEU 13 HG LEU 13 -7.307 4.532 31.181 85 HD11 LEU 13 HD11 LEU 13 -5.610 6.259 31.228 86 HD12 LEU 13 HD12 LEU 13 -6.915 6.641 32.353 87 HD13 LEU 13 HD13 LEU 13 -6.812 7.479 30.804 88 HD21 LEU 13 HD21 LEU 13 -9.233 6.679 30.293 89 HD22 LEU 13 HD22 LEU 13 -9.208 5.931 31.889 90 HD23 LEU 13 HD23 LEU 13 -9.586 4.960 30.466 91 H GLY 14 H GLY 14 -4.664 6.120 27.884 92 HA2 GLY 14 HA2 GLY 14 -3.817 6.643 25.810 93 HA3 GLY 14 HA3 GLY 14 -3.953 4.934 25.408 94 H ASP 15 H ASP 15 -6.467 7.208 26.351 95 HA ASP 15 HA ASP 15 -8.085 6.339 24.101 96 HB2 ASP 15 HB2 ASP 15 -9.098 6.461 26.329 97 HB3 ASP 15 HB3 ASP 15 -8.729 8.179 26.413 98 H LYS 16 H LYS 16 -6.959 9.415 25.478 99 HA LYS 16 HA LYS 16 -7.945 10.964 23.306 100 HB2 LYS 16 HB2 LYS 16 -6.017 11.613 25.538 101 HB3 LYS 16 HB3 LYS 16 -6.467 12.782 24.310 102 HG2 LYS 16 HG2 LYS 16 -7.813 13.226 26.209 103 HG3 LYS 16 HG3 LYS 16 -8.862 12.456 25.020 104 HD2 LYS 16 HD2 LYS 16 -8.619 10.320 26.190 105 HD3 LYS 16 HD3 LYS 16 -7.551 11.081 27.369 106 HE2 LYS 16 HE2 LYS 16 -10.432 11.827 26.873 107 HE3 LYS 16 HE3 LYS 16 -9.851 10.832 28.206 108 HZ1 LYS 16 HZ1 LYS 16 -8.509 12.741 28.938 109 HZ2 LYS 16 HZ2 LYS 16 -10.163 13.075 28.948 110 HZ3 LYS 16 HZ3 LYS 16 -9.191 13.684 27.711 111 H LYS 17 H LYS 17 -6.956 11.669 21.494 112 HA LYS 17 HA LYS 17 -4.162 10.938 21.144 113 HB2 LYS 17 HB2 LYS 17 -4.683 10.312 18.757 114 HB3 LYS 17 HB3 LYS 17 -5.260 9.202 19.986 115 HG2 LYS 17 HG2 LYS 17 -6.984 9.392 18.411 116 HG3 LYS 17 HG3 LYS 17 -7.491 10.353 19.799 117 HD2 LYS 17 HD2 LYS 17 -6.613 12.370 18.627 118 HD3 LYS 17 HD3 LYS 17 -6.331 11.358 17.208 119 HE2 LYS 17 HE2 LYS 17 -8.672 10.771 17.176 120 HE3 LYS 17 HE3 LYS 17 -8.929 11.789 18.597 121 HZ1 LYS 17 HZ1 LYS 17 -9.524 12.847 16.416 122 HZ2 LYS 17 HZ2 LYS 17 -7.886 12.823 16.014 123 HZ3 LYS 17 HZ3 LYS 17 -8.418 13.724 17.343 124 H GLU 18 H GLU 18 -3.729 11.873 18.629 125 HA GLU 18 HA GLU 18 -3.927 14.732 19.134 126 HB2 GLU 18 HB2 GLU 18 -2.123 14.732 17.258 127 HB3 GLU 18 HB3 GLU 18 -1.705 14.242 18.894 128 HG2 GLU 18 HG2 GLU 18 -1.911 11.902 18.264 129 HG3 GLU 18 HG3 GLU 18 -2.364 12.363 16.630 130 H GLY 19 H GLY 19 -3.275 13.536 15.920 131 HA2 GLY 19 HA2 GLY 19 -5.407 15.225 14.934 132 HA3 GLY 19 HA3 GLY 19 -4.145 14.468 13.979 133 H GLU 20 H GLU 20 -5.402 13.638 12.445 134 HA GLU 20 HA GLU 20 -7.581 11.851 13.259 135 HB2 GLU 20 HB2 GLU 20 -7.199 13.467 10.755 136 HB3 GLU 20 HB3 GLU 20 -8.404 12.193 10.891 137 HG2 GLU 20 HG2 GLU 20 -8.234 14.651 12.618 138 HG3 GLU 20 HG3 GLU 20 -9.376 14.379 11.299 139 H TYR 21 H TYR 21 -8.026 10.036 11.879 140 HA TYR 21 HA TYR 21 -5.909 8.992 10.245 141 HB2 TYR 21 HB2 TYR 21 -5.889 6.845 11.609 142 HB3 TYR 21 HB3 TYR 21 -5.062 8.228 12.307 143 HD1 TYR 21 HD1 TYR 21 -5.917 9.327 14.277 144 HD2 TYR 21 HD2 TYR 21 -7.915 5.962 12.622 145 HE1 TYR 21 HE1 TYR 21 -7.181 9.074 16.352 146 HE2 TYR 21 HE2 TYR 21 -9.197 5.692 14.703 147 HH TYR 21 HH TYR 21 -9.386 8.057 17.076 148 H ILE 22 H ILE 22 -6.683 7.197 8.882 149 HA ILE 22 HA ILE 22 -9.509 6.652 9.147 150 HB ILE 22 HB ILE 22 -9.683 7.017 6.596 151 HG12 ILE 22 HG12 ILE 22 -8.212 9.022 5.887 152 HG13 ILE 22 HG13 ILE 22 -7.162 8.556 7.216 153 HG21 ILE 22 HG21 ILE 22 -9.424 9.383 8.431 154 HG22 ILE 22 HG22 ILE 22 -10.862 8.375 8.227 155 HG23 ILE 22 HG23 ILE 22 -10.281 9.371 6.889 156 HD11 ILE 22 HD11 ILE 22 -6.368 7.685 5.097 157 HD12 ILE 22 HD12 ILE 22 -7.898 6.833 4.862 158 HD13 ILE 22 HD13 ILE 22 -6.829 6.379 6.190 159 H LYS 23 H LYS 23 -10.192 4.910 7.633 160 HA LYS 23 HA LYS 23 -8.104 2.843 7.477 161 HB2 LYS 23 HB2 LYS 23 -9.998 1.267 7.305 162 HB3 LYS 23 HB3 LYS 23 -10.091 2.244 8.766 163 HG2 LYS 23 HG2 LYS 23 -11.823 3.585 7.879 164 HG3 LYS 23 HG3 LYS 23 -11.571 2.958 6.252 165 HD2 LYS 23 HD2 LYS 23 -12.349 0.760 6.977 166 HD3 LYS 23 HD3 LYS 23 -12.583 1.378 8.614 167 HE2 LYS 23 HE2 LYS 23 -14.279 2.902 7.855 168 HE3 LYS 23 HE3 LYS 23 -13.954 2.494 6.174 169 HZ1 LYS 23 HZ1 LYS 23 -15.945 1.415 7.124 170 HZ2 LYS 23 HZ2 LYS 23 -14.944 0.543 8.174 171 HZ3 LYS 23 HZ3 LYS 23 -14.812 0.332 6.491 172 H LEU 24 H LEU 24 -8.038 1.450 5.600 173 HA LEU 24 HA LEU 24 -9.479 2.285 3.235 174 HB2 LEU 24 HB2 LEU 24 -6.474 2.103 3.077 175 HB3 LEU 24 HB3 LEU 24 -7.590 2.592 1.834 176 HG LEU 24 HG LEU 24 -8.108 4.505 3.616 177 HD11 LEU 24 HD11 LEU 24 -6.471 3.593 5.217 178 HD12 LEU 24 HD12 LEU 24 -6.094 5.237 4.697 179 HD13 LEU 24 HD13 LEU 24 -5.195 3.879 4.032 180 HD21 LEU 24 HD21 LEU 24 -6.626 5.913 2.326 181 HD22 LEU 24 HD22 LEU 24 -7.474 4.773 1.279 182 HD23 LEU 24 HD23 LEU 24 -5.791 4.486 1.712 183 H LYS 25 H LYS 25 -8.489 0.815 1.319 184 HA LYS 25 HA LYS 25 -7.886 -1.865 2.269 185 HB2 LYS 25 HB2 LYS 25 -10.294 -1.863 2.398 186 HB3 LYS 25 HB3 LYS 25 -10.418 -1.157 0.797 187 HG2 LYS 25 HG2 LYS 25 -8.942 -3.613 0.641 188 HG3 LYS 25 HG3 LYS 25 -10.456 -3.876 1.504 189 HD2 LYS 25 HD2 LYS 25 -10.160 -2.601 -1.216 190 HD3 LYS 25 HD3 LYS 25 -10.760 -4.230 -0.884 191 HE2 LYS 25 HE2 LYS 25 -12.581 -3.203 0.472 192 HE3 LYS 25 HE3 LYS 25 -12.020 -1.623 -0.055 193 HZ1 LYS 25 HZ1 LYS 25 -13.861 -2.374 -1.392 194 HZ2 LYS 25 HZ2 LYS 25 -13.032 -3.782 -1.817 195 HZ3 LYS 25 HZ3 LYS 25 -12.473 -2.278 -2.348 196 H VAL 26 H VAL 26 -6.885 -3.103 0.695 197 HA VAL 26 HA VAL 26 -6.680 -1.932 -1.977 198 HB VAL 26 HB VAL 26 -4.331 -1.899 -2.113 199 HG11 VAL 26 HG11 VAL 26 -4.885 -0.985 0.695 200 HG12 VAL 26 HG12 VAL 26 -5.230 -0.054 -0.756 201 HG13 VAL 26 HG13 VAL 26 -3.560 -0.455 -0.342 202 HG21 VAL 26 HG21 VAL 26 -2.805 -2.842 -0.499 203 HG22 VAL 26 HG22 VAL 26 -3.942 -4.075 -1.051 204 HG23 VAL 26 HG23 VAL 26 -4.157 -3.315 0.525 205 H ILE 27 H ILE 27 -6.453 -3.393 -3.615 206 HA ILE 27 HA ILE 27 -6.292 -6.213 -2.807 207 HB ILE 27 HB ILE 27 -7.906 -5.019 -5.077 208 HG12 ILE 27 HG12 ILE 27 -8.988 -6.330 -2.603 209 HG13 ILE 27 HG13 ILE 27 -8.669 -4.600 -2.659 210 HG21 ILE 27 HG21 ILE 27 -7.113 -7.288 -5.545 211 HG22 ILE 27 HG22 ILE 27 -8.858 -7.270 -5.293 212 HG23 ILE 27 HG23 ILE 27 -7.788 -7.845 -4.014 213 HD11 ILE 27 HD11 ILE 27 -11.002 -5.103 -3.098 214 HD12 ILE 27 HD12 ILE 27 -10.536 -6.109 -4.473 215 HD13 ILE 27 HD13 ILE 27 -10.228 -4.370 -4.500 216 H GLY 28 H GLY 28 -5.048 -7.522 -4.102 217 HA2 GLY 28 HA2 GLY 28 -3.549 -6.122 -6.224 218 HA3 GLY 28 HA3 GLY 28 -2.779 -7.258 -5.118 219 H GLN 29 H GLN 29 -2.424 -7.716 -7.702 220 HA GLN 29 HA GLN 29 -4.379 -9.265 -9.007 221 HB2 GLN 29 HB2 GLN 29 -2.717 -9.792 -10.601 222 HB3 GLN 29 HB3 GLN 29 -2.341 -8.178 -10.029 223 HG2 GLN 29 HG2 GLN 29 -0.968 -10.705 -9.157 224 HG3 GLN 29 HG3 GLN 29 -0.338 -9.550 -10.327 225 HE21 GLN 29 HE21 GLN 29 -0.746 -10.337 -7.032 226 HE22 GLN 29 HE22 GLN 29 0.124 -8.994 -6.368 227 H ASP 30 H ASP 30 -2.804 -9.984 -6.227 228 HA ASP 30 HA ASP 30 -2.424 -12.820 -6.644 229 HB2 ASP 30 HB2 ASP 30 -0.977 -11.465 -5.098 230 HB3 ASP 30 HB3 ASP 30 -2.379 -11.231 -4.065 231 H SER 31 H SER 31 -5.041 -10.827 -6.232 232 HA SER 31 HA SER 31 -7.243 -11.214 -5.902 233 HB2 SER 31 HB2 SER 31 -6.821 -13.473 -6.925 234 HB3 SER 31 HB3 SER 31 -6.514 -14.103 -5.309 235 HG SER 31 HG SER 31 -8.696 -13.288 -4.810 236 H SER 32 H SER 32 -5.031 -10.904 -3.791 237 HA SER 32 HA SER 32 -6.631 -11.534 -1.430 238 HB2 SER 32 HB2 SER 32 -3.684 -10.892 -1.697 239 HB3 SER 32 HB3 SER 32 -4.513 -11.309 -0.190 240 HG SER 32 HG SER 32 -3.471 -12.950 -2.041 241 H GLU 33 H GLU 33 -6.751 -9.879 0.254 242 HA GLU 33 HA GLU 33 -6.173 -7.163 -0.643 243 HB2 GLU 33 HB2 GLU 33 -8.382 -6.354 -0.176 244 HB3 GLU 33 HB3 GLU 33 -8.542 -7.724 -1.263 245 HG2 GLU 33 HG2 GLU 33 -9.132 -9.151 0.648 246 HG3 GLU 33 HG3 GLU 33 -8.996 -7.744 1.705 247 H ILE 34 H ILE 34 -6.184 -5.627 1.104 248 HA ILE 34 HA ILE 34 -6.158 -6.803 3.790 249 HB ILE 34 HB ILE 34 -3.796 -6.697 3.001 250 HG12 ILE 34 HG12 ILE 34 -3.001 -5.059 4.909 251 HG13 ILE 34 HG13 ILE 34 -4.713 -5.040 5.317 252 HG21 ILE 34 HG21 ILE 34 -3.866 -4.886 1.496 253 HG22 ILE 34 HG22 ILE 34 -2.735 -4.462 2.785 254 HG23 ILE 34 HG23 ILE 34 -4.357 -3.763 2.763 255 HD11 ILE 34 HD11 ILE 34 -4.622 -7.528 5.461 256 HD12 ILE 34 HD12 ILE 34 -3.631 -6.685 6.651 257 HD13 ILE 34 HD13 ILE 34 -2.874 -7.411 5.236 258 H HIS 35 H HIS 35 -6.884 -5.456 5.384 259 HA HIS 35 HA HIS 35 -7.781 -2.770 4.558 260 HB2 HIS 35 HB2 HIS 35 -8.915 -4.590 6.707 261 HB3 HIS 35 HB3 HIS 35 -9.468 -2.960 6.382 262 HD1 HIS 35 HD1 HIS 35 -11.847 -4.145 6.013 263 HD2 HIS 35 HD2 HIS 35 -8.937 -5.002 3.176 264 HE1 HIS 35 HE1 HIS 35 -13.081 -5.124 4.058 265 HE2 HIS 35 HE2 HIS 35 -11.267 -5.842 2.449 266 H PHE 36 H PHE 36 -7.044 -1.074 5.768 267 HA PHE 36 HA PHE 36 -5.690 -1.680 8.275 268 HB2 PHE 36 HB2 PHE 36 -3.726 -0.197 7.464 269 HB3 PHE 36 HB3 PHE 36 -3.783 -1.873 6.942 270 HD1 PHE 36 HD1 PHE 36 -4.411 1.602 5.885 271 HD2 PHE 36 HD2 PHE 36 -3.961 -2.445 4.685 272 HE1 PHE 36 HE1 PHE 36 -4.278 2.314 3.536 273 HE2 PHE 36 HE2 PHE 36 -3.827 -1.741 2.343 274 HZ PHE 36 HZ PHE 36 -3.992 0.645 1.765 275 HH31 ALY 37 HH31 ALY 37 -11.183 -1.392 11.046 276 HH32 ALY 37 HH32 ALY 37 -9.669 -0.708 10.418 277 HH33 ALY 37 HH33 ALY 37 -11.017 0.351 10.882 278 HZ ALY 37 HZ ALY 37 -8.117 0.215 12.884 279 HE3 ALY 37 HE3 ALY 37 -10.033 2.207 12.118 280 HE2 ALY 37 HE2 ALY 37 -9.934 1.978 13.861 281 HD3 ALY 37 HD3 ALY 37 -8.452 3.750 13.397 282 HD2 ALY 37 HD2 ALY 37 -7.424 2.337 13.618 283 HG3 ALY 37 HG3 ALY 37 -8.305 3.409 10.928 284 HG2 ALY 37 HG2 ALY 37 -6.756 3.765 11.689 285 HB3 ALY 37 HB3 ALY 37 -6.254 1.345 11.707 286 HB2 ALY 37 HB2 ALY 37 -7.763 1.052 10.857 287 HCA ALY 37 HCA ALY 37 -6.900 2.461 8.971 288 H ALY 37 H ALY 37 -5.357 0.052 9.641 289 H VAL 38 H VAL 38 -5.345 3.786 8.166 290 HA VAL 38 HA VAL 38 -2.831 4.035 9.655 291 HB VAL 38 HB VAL 38 -1.945 5.219 7.705 292 HG11 VAL 38 HG11 VAL 38 -1.978 3.337 6.097 293 HG12 VAL 38 HG12 VAL 38 -3.247 2.585 7.067 294 HG13 VAL 38 HG13 VAL 38 -1.648 2.844 7.756 295 HG21 VAL 38 HG21 VAL 38 -4.647 4.715 6.461 296 HG22 VAL 38 HG22 VAL 38 -3.235 5.352 5.620 297 HG23 VAL 38 HG23 VAL 38 -3.982 6.284 6.916 298 H LYS 39 H LYS 39 -1.996 6.458 9.128 299 HA LYS 39 HA LYS 39 -3.864 8.134 10.638 300 HB2 LYS 39 HB2 LYS 39 -0.931 8.516 9.990 301 HB3 LYS 39 HB3 LYS 39 -1.897 9.643 10.927 302 HG2 LYS 39 HG2 LYS 39 -1.411 6.778 11.723 303 HG3 LYS 39 HG3 LYS 39 -0.439 8.142 12.279 304 HD2 LYS 39 HD2 LYS 39 -2.521 9.161 13.216 305 HD3 LYS 39 HD3 LYS 39 -3.387 7.698 12.754 306 HE2 LYS 39 HE2 LYS 39 -1.002 7.718 14.588 307 HE3 LYS 39 HE3 LYS 39 -2.673 7.770 15.144 308 HZ1 LYS 39 HZ1 LYS 39 -1.754 5.529 15.167 309 HZ2 LYS 39 HZ2 LYS 39 -1.496 5.595 13.498 310 HZ3 LYS 39 HZ3 LYS 39 -3.069 5.644 14.113 311 H MET 40 H MET 40 -4.042 10.460 9.967 312 HA MET 40 HA MET 40 -4.873 10.761 7.308 313 HB2 MET 40 HB2 MET 40 -5.528 12.253 9.188 314 HB3 MET 40 HB3 MET 40 -3.905 12.920 9.195 315 HG2 MET 40 HG2 MET 40 -5.370 14.441 8.071 316 HG3 MET 40 HG3 MET 40 -4.270 13.738 6.890 317 HE1 MET 40 HE1 MET 40 -5.079 11.521 5.377 318 HE2 MET 40 HE2 MET 40 -5.103 13.117 4.627 319 HE3 MET 40 HE3 MET 40 -6.455 12.009 4.386 320 H THR 41 H THR 41 -1.880 11.590 8.887 321 HA THR 41 HA THR 41 -0.642 11.740 6.223 322 HB THR 41 HB THR 41 1.023 13.297 7.175 323 HG1 THR 41 HG1 THR 41 0.131 12.434 9.464 324 HG21 THR 41 HG21 THR 41 -0.925 14.194 6.030 325 HG22 THR 41 HG22 THR 41 -0.522 15.233 7.400 326 HG23 THR 41 HG23 THR 41 -1.870 14.094 7.513 327 H THR 42 H THR 42 0.643 10.114 5.837 328 HA THR 42 HA THR 42 2.699 9.267 7.553 329 HB THR 42 HB THR 42 0.675 8.191 8.670 330 HG1 THR 42 HG1 THR 42 2.752 7.259 8.926 331 HG21 THR 42 HG21 THR 42 0.658 6.593 6.108 332 HG22 THR 42 HG22 THR 42 -0.616 7.683 6.666 333 HG23 THR 42 HG23 THR 42 -0.268 6.199 7.556 334 H HIS 43 H HIS 43 3.752 7.272 6.537 335 HA HIS 43 HA HIS 43 3.540 7.549 3.645 336 HB2 HIS 43 HB2 HIS 43 5.578 6.149 5.373 337 HB3 HIS 43 HB3 HIS 43 5.629 6.162 3.614 338 HD1 HIS 43 HD1 HIS 43 6.997 7.875 6.413 339 HD2 HIS 43 HD2 HIS 43 5.673 9.029 2.651 340 HE1 HIS 43 HE1 HIS 43 8.035 10.114 5.991 341 HE2 HIS 43 HE2 HIS 43 7.021 10.887 3.821 342 H LEU 44 H LEU 44 3.077 5.852 2.287 343 HA LEU 44 HA LEU 44 1.258 3.945 3.390 344 HB2 LEU 44 HB2 LEU 44 2.280 4.214 0.574 345 HB3 LEU 44 HB3 LEU 44 0.976 3.157 1.074 346 HG LEU 44 HG LEU 44 1.005 6.161 1.001 347 HD11 LEU 44 HD11 LEU 44 0.434 5.177 -1.073 348 HD12 LEU 44 HD12 LEU 44 -1.055 5.775 -0.342 349 HD13 LEU 44 HD13 LEU 44 -0.681 4.050 -0.306 350 HD21 LEU 44 HD21 LEU 44 -0.006 5.538 3.122 351 HD22 LEU 44 HD22 LEU 44 -1.057 4.382 2.305 352 HD23 LEU 44 HD23 LEU 44 -1.244 6.107 2.002 353 H LYS 45 H LYS 45 4.575 3.849 3.114 354 HA LYS 45 HA LYS 45 5.076 1.209 2.362 355 HB2 LYS 45 HB2 LYS 45 6.747 3.095 2.706 356 HB3 LYS 45 HB3 LYS 45 6.635 2.769 4.425 357 HG2 LYS 45 HG2 LYS 45 7.293 0.529 2.592 358 HG3 LYS 45 HG3 LYS 45 8.541 1.720 2.930 359 HD2 LYS 45 HD2 LYS 45 7.024 0.106 4.991 360 HD3 LYS 45 HD3 LYS 45 8.666 -0.226 4.441 361 HE2 LYS 45 HE2 LYS 45 9.365 1.985 5.290 362 HE3 LYS 45 HE3 LYS 45 7.731 2.259 5.887 363 HZ1 LYS 45 HZ1 LYS 45 9.594 0.131 6.783 364 HZ2 LYS 45 HZ2 LYS 45 7.994 0.271 7.300 365 HZ3 LYS 45 HZ3 LYS 45 9.116 1.486 7.669 366 H LYS 46 H LYS 46 3.888 2.574 5.346 367 HA LYS 46 HA LYS 46 4.329 0.458 7.095 368 HB2 LYS 46 HB2 LYS 46 3.710 2.556 7.976 369 HB3 LYS 46 HB3 LYS 46 2.284 2.657 6.957 370 HG2 LYS 46 HG2 LYS 46 2.320 0.381 8.763 371 HG3 LYS 46 HG3 LYS 46 2.305 1.955 9.570 372 HD2 LYS 46 HD2 LYS 46 0.358 2.571 8.116 373 HD3 LYS 46 HD3 LYS 46 0.335 0.906 7.530 374 HE2 LYS 46 HE2 LYS 46 -1.294 1.250 9.324 375 HE3 LYS 46 HE3 LYS 46 -0.043 0.101 9.796 376 HZ1 LYS 46 HZ1 LYS 46 -0.571 1.707 11.558 377 HZ2 LYS 46 HZ2 LYS 46 -0.072 2.977 10.562 378 HZ3 LYS 46 HZ3 LYS 46 1.041 1.811 11.071 379 H LEU 47 H LEU 47 1.689 1.078 4.827 380 HA LEU 47 HA LEU 47 0.146 -1.153 5.735 381 HB2 LEU 47 HB2 LEU 47 -1.412 -0.615 4.080 382 HB3 LEU 47 HB3 LEU 47 -0.765 0.923 4.604 383 HG LEU 47 HG LEU 47 0.838 0.503 2.513 384 HD11 LEU 47 HD11 LEU 47 -1.726 -0.882 1.773 385 HD12 LEU 47 HD12 LEU 47 -0.148 -1.646 1.956 386 HD13 LEU 47 HD13 LEU 47 -0.413 -0.465 0.670 387 HD21 LEU 47 HD21 LEU 47 -1.958 1.588 2.436 388 HD22 LEU 47 HD22 LEU 47 -0.715 1.876 1.209 389 HD23 LEU 47 HD23 LEU 47 -0.483 2.462 2.859 390 H LYS 48 H LYS 48 2.615 -0.598 3.304 391 HA LYS 48 HA LYS 48 2.315 -2.934 1.784 392 HB2 LYS 48 HB2 LYS 48 4.541 -1.076 2.380 393 HB3 LYS 48 HB3 LYS 48 5.016 -2.687 1.874 394 HG2 LYS 48 HG2 LYS 48 4.993 -1.439 -0.077 395 HG3 LYS 48 HG3 LYS 48 3.473 -2.330 -0.123 396 HD2 LYS 48 HD2 LYS 48 2.234 -0.400 0.474 397 HD3 LYS 48 HD3 LYS 48 3.700 0.499 0.900 398 HE2 LYS 48 HE2 LYS 48 2.628 -0.250 -1.792 399 HE3 LYS 48 HE3 LYS 48 3.140 1.328 -1.199 400 HZ1 LYS 48 HZ1 LYS 48 5.467 0.462 -1.194 401 HZ2 LYS 48 HZ2 LYS 48 4.790 0.468 -2.738 402 HZ3 LYS 48 HZ3 LYS 48 4.911 -0.970 -1.884 403 H GLU 49 H GLU 49 4.417 -2.349 4.611 404 HA GLU 49 HA GLU 49 5.296 -4.907 5.052 405 HB2 GLU 49 HB2 GLU 49 4.524 -2.900 7.162 406 HB3 GLU 49 HB3 GLU 49 5.636 -4.251 7.359 407 HG2 GLU 49 HG2 GLU 49 7.044 -3.252 5.613 408 HG3 GLU 49 HG3 GLU 49 5.994 -1.844 5.615 409 H SER 50 H SER 50 2.427 -3.368 6.404 410 HA SER 50 HA SER 50 1.460 -5.501 7.884 411 HB2 SER 50 HB2 SER 50 -0.189 -3.450 6.390 412 HB3 SER 50 HB3 SER 50 -0.706 -4.393 7.789 413 HG SER 50 HG SER 50 1.258 -2.345 7.670 414 H TYR 51 H TYR 51 1.110 -4.816 4.443 415 HA TYR 51 HA TYR 51 -0.766 -6.876 3.886 416 HB2 TYR 51 HB2 TYR 51 -0.162 -4.849 2.423 417 HB3 TYR 51 HB3 TYR 51 1.253 -5.765 1.929 418 HD1 TYR 51 HD1 TYR 51 0.309 -8.426 1.426 419 HD2 TYR 51 HD2 TYR 51 -1.669 -4.748 0.694 420 HE1 TYR 51 HE1 TYR 51 -1.004 -9.500 -0.348 421 HE2 TYR 51 HE2 TYR 51 -3.002 -5.817 -1.095 422 HH TYR 51 HH TYR 51 -2.945 -7.697 -2.542 423 H CYS 52 H CYS 52 2.763 -6.698 3.432 424 HA CYS 52 HA CYS 52 3.063 -9.360 2.558 425 HB2 CYS 52 HB2 CYS 52 4.776 -7.732 2.093 426 HB3 CYS 52 HB3 CYS 52 5.088 -7.459 3.790 427 HG CYS 52 HG CYS 52 5.929 -10.117 1.850 428 H GLN 53 H GLN 53 2.951 -7.955 5.750 429 HA GLN 53 HA GLN 53 3.990 -10.250 7.103 430 HB2 GLN 53 HB2 GLN 53 2.442 -7.854 8.075 431 HB3 GLN 53 HB3 GLN 53 3.060 -9.107 9.143 432 HG2 GLN 53 HG2 GLN 53 4.846 -7.627 7.262 433 HG3 GLN 53 HG3 GLN 53 4.449 -6.976 8.850 434 HE21 GLN 53 HE21 GLN 53 6.126 -9.451 7.082 435 HE22 GLN 53 HE22 GLN 53 7.049 -10.058 8.411 436 H ARG 54 H ARG 54 0.804 -9.195 6.142 437 HA ARG 54 HA ARG 54 -0.492 -11.221 7.757 438 HB2 ARG 54 HB2 ARG 54 -1.520 -9.000 7.469 439 HB3 ARG 54 HB3 ARG 54 -1.638 -9.292 5.741 440 HG2 ARG 54 HG2 ARG 54 -3.785 -9.662 6.716 441 HG3 ARG 54 HG3 ARG 54 -3.126 -11.222 6.223 442 HD2 ARG 54 HD2 ARG 54 -4.121 -11.475 8.379 443 HD3 ARG 54 HD3 ARG 54 -2.371 -11.568 8.572 444 HE ARG 54 HE ARG 54 -3.787 -9.038 9.076 445 HH11 ARG 54 HH11 ARG 54 -1.795 -11.688 10.273 446 HH12 ARG 54 HH12 ARG 54 -1.509 -10.939 11.803 447 HH21 ARG 54 HH21 ARG 54 -3.407 -8.065 11.110 448 HH22 ARG 54 HH22 ARG 54 -2.429 -8.878 12.288 449 H GLN 55 H GLN 55 -0.180 -10.483 4.286 450 HA GLN 55 HA GLN 55 -1.391 -13.036 3.617 451 HB2 GLN 55 HB2 GLN 55 -0.563 -10.638 2.026 452 HB3 GLN 55 HB3 GLN 55 -0.909 -12.158 1.216 453 HG2 GLN 55 HG2 GLN 55 -2.887 -10.870 1.127 454 HG3 GLN 55 HG3 GLN 55 -3.160 -12.130 2.324 455 HE21 GLN 55 HE21 GLN 55 -1.265 -9.222 2.857 456 HE22 GLN 55 HE22 GLN 55 -2.350 -8.520 3.999 457 H GLY 56 H GLY 56 1.739 -11.857 4.125 458 HA2 GLY 56 HA2 GLY 56 3.809 -12.793 3.843 459 HA3 GLY 56 HA3 GLY 56 2.977 -14.328 3.636 460 H VAL 57 H VAL 57 2.829 -11.416 1.608 461 HA VAL 57 HA VAL 57 3.881 -13.035 -0.617 462 HB VAL 57 HB VAL 57 2.514 -11.669 -2.160 463 HG11 VAL 57 HG11 VAL 57 0.904 -12.963 0.033 464 HG12 VAL 57 HG12 VAL 57 1.625 -13.781 -1.351 465 HG13 VAL 57 HG13 VAL 57 0.330 -12.610 -1.597 466 HG21 VAL 57 HG21 VAL 57 1.346 -10.466 0.347 467 HG22 VAL 57 HG22 VAL 57 0.759 -10.204 -1.296 468 HG23 VAL 57 HG23 VAL 57 2.362 -9.633 -0.829 469 HA PRO 58 HA PRO 58 7.076 -10.055 -1.174 470 HB2 PRO 58 HB2 PRO 58 7.372 -10.022 -3.881 471 HB3 PRO 58 HB3 PRO 58 7.917 -11.362 -2.866 472 HG2 PRO 58 HG2 PRO 58 5.410 -11.108 -4.481 473 HG3 PRO 58 HG3 PRO 58 6.500 -12.498 -4.318 474 HD2 PRO 58 HD2 PRO 58 4.177 -12.324 -2.968 475 HD3 PRO 58 HD3 PRO 58 5.610 -13.117 -2.285 476 H MET 59 H MET 59 6.472 -8.041 -0.622 477 HA MET 59 HA MET 59 4.511 -6.554 -2.056 478 HB2 MET 59 HB2 MET 59 6.287 -5.966 0.274 479 HB3 MET 59 HB3 MET 59 5.409 -4.656 -0.512 480 HG2 MET 59 HG2 MET 59 4.051 -7.133 0.458 481 HG3 MET 59 HG3 MET 59 4.380 -5.774 1.532 482 HE1 MET 59 HE1 MET 59 2.695 -6.236 -2.234 483 HE2 MET 59 HE2 MET 59 1.075 -6.217 -1.552 484 HE3 MET 59 HE3 MET 59 2.247 -7.418 -1.010 485 H ASN 60 H ASN 60 7.737 -7.095 -2.708 486 HA ASN 60 HA ASN 60 8.206 -4.467 -3.873 487 HB2 ASN 60 HB2 ASN 60 9.966 -6.898 -3.645 488 HB3 ASN 60 HB3 ASN 60 10.441 -5.426 -4.486 489 HD21 ASN 60 HD21 ASN 60 9.597 -6.805 -1.406 490 HD22 ASN 60 HD22 ASN 60 10.282 -5.549 -0.444 491 H SER 61 H SER 61 7.818 -7.792 -4.892 492 HA SER 61 HA SER 61 8.310 -7.622 -7.599 493 HB2 SER 61 HB2 SER 61 6.163 -9.302 -6.303 494 HB3 SER 61 HB3 SER 61 6.937 -9.600 -7.860 495 HG SER 61 HG SER 61 8.102 -10.823 -6.507 496 H LEU 62 H LEU 62 5.503 -6.452 -5.914 497 HA LEU 62 HA LEU 62 4.452 -5.505 -8.468 498 HB2 LEU 62 HB2 LEU 62 2.179 -5.494 -7.170 499 HB3 LEU 62 HB3 LEU 62 2.763 -6.947 -7.936 500 HG LEU 62 HG LEU 62 1.700 -7.188 -5.645 501 HD11 LEU 62 HD11 LEU 62 4.460 -8.296 -6.029 502 HD12 LEU 62 HD12 LEU 62 2.973 -8.959 -6.699 503 HD13 LEU 62 HD13 LEU 62 3.221 -8.937 -4.949 504 HD21 LEU 62 HD21 LEU 62 4.202 -5.746 -4.894 505 HD22 LEU 62 HD22 LEU 62 3.483 -6.927 -3.808 506 HD23 LEU 62 HD23 LEU 62 2.551 -5.510 -4.314 507 H ARG 63 H ARG 63 2.939 -3.568 -8.126 508 HA ARG 63 HA ARG 63 4.092 -1.827 -6.057 509 HB2 ARG 63 HB2 ARG 63 4.052 0.079 -7.573 510 HB3 ARG 63 HB3 ARG 63 5.048 -1.205 -8.239 511 HG2 ARG 63 HG2 ARG 63 2.193 -1.003 -9.060 512 HG3 ARG 63 HG3 ARG 63 3.374 0.112 -9.747 513 HD2 ARG 63 HD2 ARG 63 4.696 -1.751 -10.551 514 HD3 ARG 63 HD3 ARG 63 3.593 -2.889 -9.773 515 HE ARG 63 HE ARG 63 2.178 -2.675 -11.531 516 HH11 ARG 63 HH11 ARG 63 4.432 0.029 -11.648 517 HH12 ARG 63 HH12 ARG 63 3.845 0.601 -13.170 518 HH21 ARG 63 HH21 ARG 63 1.415 -1.893 -13.564 519 HH22 ARG 63 HH22 ARG 63 2.147 -0.481 -14.247 520 H PHE 64 H PHE 64 2.657 0.301 -5.957 521 HA PHE 64 HA PHE 64 -0.101 -0.664 -5.704 522 HB2 PHE 64 HB2 PHE 64 1.567 1.017 -3.842 523 HB3 PHE 64 HB3 PHE 64 -0.186 1.040 -3.754 524 HD1 PHE 64 HD1 PHE 64 2.450 -1.597 -4.065 525 HD2 PHE 64 HD2 PHE 64 -1.032 -0.215 -2.053 526 HE1 PHE 64 HE1 PHE 64 2.507 -3.577 -2.613 527 HE2 PHE 64 HE2 PHE 64 -0.977 -2.193 -0.602 528 HZ PHE 64 HZ PHE 64 0.789 -3.876 -0.879 529 H LEU 65 H LEU 65 -1.364 0.328 -7.081 530 HA LEU 65 HA LEU 65 -0.836 3.167 -7.725 531 HB2 LEU 65 HB2 LEU 65 -2.223 1.157 -9.481 532 HB3 LEU 65 HB3 LEU 65 -1.804 2.804 -9.903 533 HG LEU 65 HG LEU 65 0.139 0.532 -9.449 534 HD11 LEU 65 HD11 LEU 65 0.621 0.760 -11.817 535 HD12 LEU 65 HD12 LEU 65 -0.601 2.025 -11.957 536 HD13 LEU 65 HD13 LEU 65 -1.080 0.376 -11.553 537 HD21 LEU 65 HD21 LEU 65 0.643 3.408 -10.197 538 HD22 LEU 65 HD22 LEU 65 1.851 2.123 -10.203 539 HD23 LEU 65 HD23 LEU 65 1.101 2.620 -8.686 540 H PHE 66 H PHE 66 -2.414 4.550 -7.555 541 HA PHE 66 HA PHE 66 -5.039 3.543 -6.677 542 HB2 PHE 66 HB2 PHE 66 -4.001 4.549 -4.779 543 HB3 PHE 66 HB3 PHE 66 -3.457 5.928 -5.714 544 HD1 PHE 66 HD1 PHE 66 -6.814 4.340 -5.576 545 HD2 PHE 66 HD2 PHE 66 -4.445 7.765 -4.719 546 HE1 PHE 66 HE1 PHE 66 -8.828 5.565 -4.945 547 HE2 PHE 66 HE2 PHE 66 -6.467 9.007 -4.077 548 HZ PHE 66 HZ PHE 66 -8.665 7.907 -4.185 549 H GLU 67 H GLU 67 -6.285 3.771 -8.408 550 HA GLU 67 HA GLU 67 -7.243 4.597 -10.287 551 HB2 GLU 67 HB2 GLU 67 -8.502 6.635 -9.911 552 HB3 GLU 67 HB3 GLU 67 -8.465 5.676 -8.446 553 HG2 GLU 67 HG2 GLU 67 -6.841 7.144 -7.459 554 HG3 GLU 67 HG3 GLU 67 -6.690 8.034 -8.972 555 H GLY 68 H GLY 68 -4.432 4.764 -10.463 556 HA2 GLY 68 HA2 GLY 68 -3.307 5.469 -12.484 557 HA3 GLY 68 HA3 GLY 68 -4.205 6.972 -12.396 558 H GLN 69 H GLN 69 -3.241 6.293 -9.309 559 HA GLN 69 HA GLN 69 -1.024 8.168 -9.511 560 HB2 GLN 69 HB2 GLN 69 -2.598 7.077 -7.175 561 HB3 GLN 69 HB3 GLN 69 -1.216 8.148 -6.986 562 HG2 GLN 69 HG2 GLN 69 -3.528 8.973 -8.681 563 HG3 GLN 69 HG3 GLN 69 -3.654 9.053 -6.926 564 HE21 GLN 69 HE21 GLN 69 -0.649 9.622 -8.654 565 HE22 GLN 69 HE22 GLN 69 -0.575 11.307 -8.310 566 H ARG 70 H ARG 70 1.053 7.620 -8.993 567 HA ARG 70 HA ARG 70 1.538 4.783 -8.564 568 HB2 ARG 70 HB2 ARG 70 3.966 5.403 -9.056 569 HB3 ARG 70 HB3 ARG 70 2.822 5.481 -10.383 570 HG2 ARG 70 HG2 ARG 70 3.327 7.976 -8.867 571 HG3 ARG 70 HG3 ARG 70 4.600 7.385 -9.938 572 HD2 ARG 70 HD2 ARG 70 1.735 7.883 -10.713 573 HD3 ARG 70 HD3 ARG 70 3.093 8.951 -11.086 574 HE ARG 70 HE ARG 70 3.552 6.303 -12.031 575 HH11 ARG 70 HH11 ARG 70 1.726 9.204 -12.794 576 HH12 ARG 70 HH12 ARG 70 1.709 8.892 -14.494 577 HH21 ARG 70 HH21 ARG 70 3.516 5.887 -14.287 578 HH22 ARG 70 HH22 ARG 70 2.723 7.006 -15.345 579 H ILE 71 H ILE 71 1.967 4.051 -6.674 580 HA ILE 71 HA ILE 71 2.980 5.898 -4.628 581 HB ILE 71 HB ILE 71 1.265 3.426 -4.321 582 HG12 ILE 71 HG12 ILE 71 -0.204 5.150 -3.062 583 HG13 ILE 71 HG13 ILE 71 0.779 6.369 -3.860 584 HG21 ILE 71 HG21 ILE 71 3.005 3.525 -2.583 585 HG22 ILE 71 HG22 ILE 71 1.380 3.705 -1.933 586 HG23 ILE 71 HG23 ILE 71 2.420 5.122 -2.112 587 HD11 ILE 71 HD11 ILE 71 -1.305 5.995 -5.049 588 HD12 ILE 71 HD12 ILE 71 -0.916 4.285 -5.225 589 HD13 ILE 71 HD13 ILE 71 0.067 5.500 -6.038 590 H ALA 72 H ALA 72 5.153 5.600 -4.596 591 HA ALA 72 HA ALA 72 6.102 2.832 -4.461 592 HB1 ALA 72 HB1 ALA 72 7.065 4.188 -6.274 593 HB2 ALA 72 HB2 ALA 72 8.287 3.671 -5.113 594 HB3 ALA 72 HB3 ALA 72 7.683 5.328 -5.080 595 H ASP 73 H ASP 73 5.342 2.797 -2.280 596 HA ASP 73 HA ASP 73 5.464 2.939 -0.006 597 HB2 ASP 73 HB2 ASP 73 7.599 2.207 0.928 598 HB3 ASP 73 HB3 ASP 73 7.149 1.283 -0.493 599 H ASN 74 H ASN 74 5.822 5.673 -1.284 600 HA ASN 74 HA ASN 74 6.765 6.915 1.184 601 HB2 ASN 74 HB2 ASN 74 8.202 8.480 0.149 602 HB3 ASN 74 HB3 ASN 74 8.615 6.931 -0.571 603 HD21 ASN 74 HD21 ASN 74 8.082 6.545 -2.713 604 HD22 ASN 74 HD22 ASN 74 7.659 7.830 -3.790 605 H HIS 75 H HIS 75 4.587 6.816 -1.426 606 HA HIS 75 HA HIS 75 3.638 9.452 -1.343 607 HB2 HIS 75 HB2 HIS 75 3.081 7.187 -2.842 608 HB3 HIS 75 HB3 HIS 75 1.591 7.474 -1.952 609 HD1 HIS 75 HD1 HIS 75 2.721 8.110 -5.124 610 HD2 HIS 75 HD2 HIS 75 1.258 10.646 -2.165 611 HE1 HIS 75 HE1 HIS 75 1.895 10.146 -6.324 612 HE2 HIS 75 HE2 HIS 75 0.839 11.572 -4.550 613 H THR 76 H THR 76 1.860 10.300 -0.292 614 HA THR 76 HA THR 76 1.092 8.876 2.163 615 HB THR 76 HB THR 76 0.708 11.123 3.138 616 HG1 THR 76 HG1 THR 76 2.098 12.234 0.945 617 HG21 THR 76 HG21 THR 76 3.067 11.764 3.342 618 HG22 THR 76 HG22 THR 76 3.461 10.748 1.954 619 HG23 THR 76 HG23 THR 76 2.875 10.012 3.446 620 HA PRO 77 HA PRO 77 -3.151 8.949 0.909 621 HB2 PRO 77 HB2 PRO 77 -4.399 9.445 3.310 622 HB3 PRO 77 HB3 PRO 77 -3.774 7.864 2.833 623 HG2 PRO 77 HG2 PRO 77 -2.552 9.933 4.608 624 HG3 PRO 77 HG3 PRO 77 -2.566 8.169 4.785 625 HD2 PRO 77 HD2 PRO 77 -0.410 9.513 3.893 626 HD3 PRO 77 HD3 PRO 77 -0.812 7.884 3.317 627 H LYS 78 H LYS 78 -1.832 11.613 2.688 628 HA LYS 78 HA LYS 78 -4.038 13.404 2.300 629 HB2 LYS 78 HB2 LYS 78 -2.411 15.139 3.085 630 HB3 LYS 78 HB3 LYS 78 -2.579 13.780 4.184 631 HG2 LYS 78 HG2 LYS 78 -0.461 13.070 3.866 632 HG3 LYS 78 HG3 LYS 78 -0.438 13.554 2.172 633 HD2 LYS 78 HD2 LYS 78 -0.232 15.916 2.905 634 HD3 LYS 78 HD3 LYS 78 -0.122 15.353 4.576 635 HE2 LYS 78 HE2 LYS 78 1.880 14.100 4.066 636 HE3 LYS 78 HE3 LYS 78 1.737 14.503 2.358 637 HZ1 LYS 78 HZ1 LYS 78 3.373 15.874 3.415 638 HZ2 LYS 78 HZ2 LYS 78 2.261 16.409 4.568 639 HZ3 LYS 78 HZ3 LYS 78 2.066 16.835 2.944 640 H GLU 79 H GLU 79 -1.045 12.641 0.661 641 HA GLU 79 HA GLU 79 -1.128 14.864 -1.140 642 HB2 GLU 79 HB2 GLU 79 0.954 13.722 -0.453 643 HB3 GLU 79 HB3 GLU 79 0.404 12.271 -1.270 644 HG2 GLU 79 HG2 GLU 79 1.973 13.357 -2.689 645 HG3 GLU 79 HG3 GLU 79 0.374 13.560 -3.401 646 H LEU 80 H LEU 80 -2.110 11.516 -1.136 647 HA LEU 80 HA LEU 80 -2.714 11.357 -3.919 648 HB2 LEU 80 HB2 LEU 80 -3.539 9.652 -1.589 649 HB3 LEU 80 HB3 LEU 80 -3.854 9.260 -3.266 650 HG LEU 80 HG LEU 80 -1.065 9.679 -2.242 651 HD11 LEU 80 HD11 LEU 80 -0.919 7.260 -1.998 652 HD12 LEU 80 HD12 LEU 80 -2.647 7.126 -2.338 653 HD13 LEU 80 HD13 LEU 80 -2.093 7.969 -0.887 654 HD21 LEU 80 HD21 LEU 80 -2.203 8.180 -4.596 655 HD22 LEU 80 HD22 LEU 80 -0.495 8.316 -4.175 656 HD23 LEU 80 HD23 LEU 80 -1.399 9.749 -4.657 657 H GLY 81 H GLY 81 -4.356 12.763 -1.270 658 HA2 GLY 81 HA2 GLY 81 -6.383 13.875 -1.301 659 HA3 GLY 81 HA3 GLY 81 -6.570 13.391 -2.982 660 H MET 82 H MET 82 -5.939 10.946 -0.603 661 HA MET 82 HA MET 82 -8.624 9.932 -1.210 662 HB2 MET 82 HB2 MET 82 -7.822 7.701 -0.851 663 HB3 MET 82 HB3 MET 82 -6.736 8.506 -1.967 664 HG2 MET 82 HG2 MET 82 -5.194 8.907 -0.052 665 HG3 MET 82 HG3 MET 82 -6.260 7.907 0.939 666 HE1 MET 82 HE1 MET 82 -3.529 5.261 0.524 667 HE2 MET 82 HE2 MET 82 -4.638 6.107 1.602 668 HE3 MET 82 HE3 MET 82 -3.294 6.976 0.860 669 H GLU 83 H GLU 83 -9.445 8.408 0.608 670 HA GLU 83 HA GLU 83 -8.833 9.475 3.244 671 HB2 GLU 83 HB2 GLU 83 -10.716 10.813 1.857 672 HB3 GLU 83 HB3 GLU 83 -11.720 9.557 2.569 673 HG2 GLU 83 HG2 GLU 83 -10.928 10.211 4.801 674 HG3 GLU 83 HG3 GLU 83 -9.947 11.475 4.067 675 H GLU 84 H GLU 84 -11.268 8.514 4.410 676 HA GLU 84 HA GLU 84 -10.515 5.900 4.988 677 HB2 GLU 84 HB2 GLU 84 -12.671 5.744 6.171 678 HB3 GLU 84 HB3 GLU 84 -11.760 7.191 6.571 679 HG2 GLU 84 HG2 GLU 84 -13.170 8.476 5.017 680 HG3 GLU 84 HG3 GLU 84 -14.112 7.021 4.705 681 H GLU 85 H GLU 85 -11.324 3.927 4.520 682 HA GLU 85 HA GLU 85 -11.982 2.236 3.246 683 HB2 GLU 85 HB2 GLU 85 -14.204 3.318 4.077 684 HB3 GLU 85 HB3 GLU 85 -14.403 3.765 2.386 685 HG2 GLU 85 HG2 GLU 85 -15.553 1.683 2.872 686 HG3 GLU 85 HG3 GLU 85 -14.230 1.419 1.737 687 H ASP 86 H ASP 86 -10.259 4.183 1.956 688 HA ASP 86 HA ASP 86 -11.228 4.310 -0.755 689 HB2 ASP 86 HB2 ASP 86 -9.158 5.552 0.748 690 HB3 ASP 86 HB3 ASP 86 -8.444 4.795 -0.673 691 H VAL 87 H VAL 87 -10.169 3.302 -2.526 692 HA VAL 87 HA VAL 87 -9.082 0.695 -1.749 693 HB VAL 87 HB VAL 87 -11.273 0.538 -2.859 694 HG11 VAL 87 HG11 VAL 87 -11.195 2.539 -4.225 695 HG12 VAL 87 HG12 VAL 87 -11.540 1.124 -5.221 696 HG13 VAL 87 HG13 VAL 87 -9.923 1.831 -5.222 697 HG21 VAL 87 HG21 VAL 87 -9.692 -1.293 -3.138 698 HG22 VAL 87 HG22 VAL 87 -9.007 -0.506 -4.558 699 HG23 VAL 87 HG23 VAL 87 -10.669 -1.091 -4.591 700 H ILE 88 H ILE 88 -7.248 -0.055 -2.686 701 HA ILE 88 HA ILE 88 -5.901 1.694 -4.648 702 HB ILE 88 HB ILE 88 -4.466 0.112 -2.497 703 HG12 ILE 88 HG12 ILE 88 -5.808 1.969 -1.487 704 HG13 ILE 88 HG13 ILE 88 -4.075 2.158 -1.264 705 HG21 ILE 88 HG21 ILE 88 -2.513 1.428 -3.153 706 HG22 ILE 88 HG22 ILE 88 -3.483 2.231 -4.389 707 HG23 ILE 88 HG23 ILE 88 -3.176 0.499 -4.501 708 HD11 ILE 88 HD11 ILE 88 -5.711 3.564 -3.357 709 HD12 ILE 88 HD12 ILE 88 -3.999 3.811 -2.999 710 HD13 ILE 88 HD13 ILE 88 -5.221 4.252 -1.808 711 H GLU 89 H GLU 89 -4.713 0.539 -6.251 712 HA GLU 89 HA GLU 89 -5.341 -2.333 -6.298 713 HB2 GLU 89 HB2 GLU 89 -4.879 -0.576 -8.688 714 HB3 GLU 89 HB3 GLU 89 -5.512 -2.218 -8.667 715 HG2 GLU 89 HG2 GLU 89 -7.356 -1.126 -7.160 716 HG3 GLU 89 HG3 GLU 89 -6.821 0.337 -7.957 717 H VAL 90 H VAL 90 -3.712 -3.678 -6.263 718 HA VAL 90 HA VAL 90 -1.022 -2.653 -6.667 719 HB VAL 90 HB VAL 90 -1.992 -5.266 -5.494 720 HG11 VAL 90 HG11 VAL 90 0.785 -4.117 -5.624 721 HG12 VAL 90 HG12 VAL 90 0.196 -5.528 -6.503 722 HG13 VAL 90 HG13 VAL 90 0.311 -5.570 -4.744 723 HG21 VAL 90 HG21 VAL 90 -0.848 -2.811 -4.194 724 HG22 VAL 90 HG22 VAL 90 -1.277 -4.311 -3.368 725 HG23 VAL 90 HG23 VAL 90 -2.532 -3.328 -4.128 726 H TYR 91 H TYR 91 -0.016 -2.961 -8.503 727 HA TYR 91 HA TYR 91 -0.944 -5.086 -10.321 728 HB2 TYR 91 HB2 TYR 91 0.420 -2.461 -10.880 729 HB3 TYR 91 HB3 TYR 91 0.162 -3.695 -12.105 730 HD1 TYR 91 HD1 TYR 91 -1.490 -1.309 -9.846 731 HD2 TYR 91 HD2 TYR 91 -1.994 -3.989 -13.096 732 HE1 TYR 91 HE1 TYR 91 -3.710 -0.372 -10.254 733 HE2 TYR 91 HE2 TYR 91 -4.232 -3.063 -13.526 734 HH TYR 91 HH TYR 91 -5.319 -0.181 -12.174 735 H GLN 92 H GLN 92 0.460 -6.516 -11.160 736 HA GLN 92 HA GLN 92 2.948 -6.902 -9.801 737 HB2 GLN 92 HB2 GLN 92 1.591 -8.819 -10.343 738 HB3 GLN 92 HB3 GLN 92 1.603 -8.398 -12.049 739 HG2 GLN 92 HG2 GLN 92 3.097 -10.228 -11.665 740 HG3 GLN 92 HG3 GLN 92 4.034 -8.800 -12.095 741 HE21 GLN 92 HE21 GLN 92 5.884 -9.518 -11.150 742 HE22 GLN 92 HE22 GLN 92 6.082 -9.648 -9.442 743 H GLU 93 H GLU 93 4.816 -6.041 -10.345 744 HA GLU 93 HA GLU 93 5.895 -6.144 -12.907 745 HB2 GLU 93 HB2 GLU 93 4.401 -4.359 -13.478 746 HB3 GLU 93 HB3 GLU 93 4.921 -3.391 -12.108 747 HG2 GLU 93 HG2 GLU 93 7.153 -3.216 -13.089 748 HG3 GLU 93 HG3 GLU 93 6.652 -4.238 -14.432 749 H GLN 94 H GLN 94 7.821 -6.554 -12.409 750 HA GLN 94 HA GLN 94 9.063 -5.881 -9.951 751 HB2 GLN 94 HB2 GLN 94 11.136 -6.801 -10.916 752 HB3 GLN 94 HB3 GLN 94 9.766 -7.870 -11.155 753 HG2 GLN 94 HG2 GLN 94 9.576 -7.106 -13.472 754 HG3 GLN 94 HG3 GLN 94 10.949 -6.030 -13.226 755 HE21 GLN 94 HE21 GLN 94 12.160 -7.033 -14.815 756 HE22 GLN 94 HE22 GLN 94 12.861 -8.599 -14.601 757 H THR 95 H THR 95 10.600 -4.351 -9.429 758 HA THR 95 HA THR 95 11.357 -2.418 -11.452 759 HB THR 95 HB THR 95 9.276 -1.484 -10.551 760 HG1 THR 95 HG1 THR 95 10.277 0.348 -10.745 761 HG21 THR 95 HG21 THR 95 9.266 -2.590 -8.363 762 HG22 THR 95 HG22 THR 95 9.092 -0.843 -8.184 763 HG23 THR 95 HG23 THR 95 10.645 -1.612 -7.856 764 H GLY 96 H GLY 96 13.208 -1.214 -10.888 765 HA2 GLY 96 HA2 GLY 96 14.461 -1.555 -8.331 766 HA3 GLY 96 HA3 GLY 96 15.235 -2.486 -9.609 767 H GLY 97 H GLY 97 17.082 -1.098 -9.097 768 HA2 GLY 97 HA2 GLY 97 16.911 1.688 -9.796 769 HA3 GLY 97 HA3 GLY 97 18.372 0.797 -9.387
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